# Search results of SQL query from the Crystallography Open Database
# Date and time performed: 2024-05-10T01:18:14+02:00
# Query:
# SELECT data.*
# FROM
#  data 
# WHERE
#  (status is null or status != 'retracted') and
#  (year = 2017 AND duplicateof IS NULL AND (status is NULL OR status != 'errors') AND (method is NULL OR method != 'theoretical'))
# ORDER BY file asc
file,a,siga,b,sigb,c,sigc,alpha,sigalpha,beta,sigbeta,gamma,siggamma,vol,sigvol,celltemp,sigcelltemp,diffrtemp,sigdiffrtemp,cellpressure,sigcellpressure,diffrpressure,sigdiffrpressure,thermalhist,pressurehist,compoundsource,nel,sg,sgHall,sgNumber,commonname,chemname,mineral,formula,calcformula,cellformula,Z,Zprime,acce_code,authors,title,journal,year,volume,issue,firstpage,lastpage,doi,method,radiation,wavelength,radType,radSymbol,Rall,Robs,Rref,wRall,wRobs,wRref,RFsqd,RI,gofall,gofobs,gofgt,gofref,duplicateof,optimal,status,flags,svnrevision,date,time,onhold
"1543715","10.0233","0.0006","7.3836","0.0005","20.4729","0.0013","90","","93.2347","0.0019","90","","1512.75","0.17","296","0.2","296","0.2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","(4-Isocyano-4'-propoxy-1,1'-biphenyl)gold(I) chloride","","- C16 H15 Au Cl N O -","- C16 H15 Au Cl N O -","- C64 H60 Au4 Cl4 N4 O4 -","4","1","","Yamada, Shigeyuki; Rokusha, Yuki; Kawano, Ryo; Fujisawa, Kaori; Tsutsumi, Osamu","Mesogenic gold complexes showing aggregation-induced enhancement of phosphorescence in both crystalline and liquid-crystalline phases.","Faraday discussions","2017","196","","269","283","10.1039/c6fd00157b","","","0.71073","MoKα","","0.0434","0.0401","","","0.1003","0.1029","","","","","","0.994","","","","has coordinates","193857","2020-10-21","18:00:00",""
"1543716","10.2724","0.0005","13.7308","0.0007","14.1704","0.0007","61.476","0.001","71","0.002","69.885","0.002","1617.15","0.14","296","0.2","296","0.2","","","","","","","","6","P -1","-P 1","2","","(4-Butoxy-4'-isocyano-1,1'-biphenyl)gold(I) chloride","","- C17 H17 Au Cl N O -","- C17 H17 Au Cl N O -","- C68 H68 Au4 Cl4 N4 O4 -","4","2","","Yamada, Shigeyuki; Rokusha, Yuki; Kawano, Ryo; Fujisawa, Kaori; Tsutsumi, Osamu","Mesogenic gold complexes showing aggregation-induced enhancement of phosphorescence in both crystalline and liquid-crystalline phases.","Faraday discussions","2017","196","","269","283","10.1039/c6fd00157b","","","0.71073","MoKα","","0.0461","0.036","","","0.1124","0.1207","","","","","","1.109","","","","has coordinates","193857","2020-10-21","18:00:00",""
"1543717","35.545","0.009","7.0033","0.0017","6.8729","0.0016","90","","92.118","0.005","90","","1709.7","0.7","296","2","296","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","(4-Isocyano-4'-pentyloxy-1,1'-biphenyl)gold(I) chloride","","- C18 H19 Au Cl N O -","- C18 H19 Au Cl N O -","- C72 H76 Au4 Cl4 N4 O4 -","4","1","","Yamada, Shigeyuki; Rokusha, Yuki; Kawano, Ryo; Fujisawa, Kaori; Tsutsumi, Osamu","Mesogenic gold complexes showing aggregation-induced enhancement of phosphorescence in both crystalline and liquid-crystalline phases.","Faraday discussions","2017","196","","269","283","10.1039/c6fd00157b","","","0.71073","MoKα","","0.0777","0.0531","","","0.1613","0.1811","","","","","","1.077","","","","has coordinates","193857","2020-10-21","18:00:00",""
"1543718","76.128","0.014","7.0364","0.0013","6.8648","0.0012","90","","91.305","0.004","90","","3676.3","1.2","296","2","296","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","(4-Hexyloxy-4'-isocyano-1,1'-biphenyl)gold(I) chloride","","- C19 H21 Au Cl N O -","- C19 H21 Au Cl N O -","- C152 H168 Au8 Cl8 N8 O8 -","8","1","","Yamada, Shigeyuki; Rokusha, Yuki; Kawano, Ryo; Fujisawa, Kaori; Tsutsumi, Osamu","Mesogenic gold complexes showing aggregation-induced enhancement of phosphorescence in both crystalline and liquid-crystalline phases.","Faraday discussions","2017","196","","269","283","10.1039/c6fd00157b","","","0.71073","MoKα","","0.1637","0.0864","","","0.2309","0.2748","","","","","","1.076","","","","has coordinates","193857","2020-10-21","18:00:00",""
"1543719","78.931","0.009","7.0341","0.0008","6.8739","0.0008","90","","91.828","0.003","90","","3814.5","0.8","296","0.2","296","0.2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","(4-Heptyloxy-4'-isocyano-1,1'-biphenyl)gold(I) chloride","","- C20 H23 Au Cl N O -","- C20 H23 Au Cl N O -","- C160 H184 Au8 Cl8 N8 O8 -","8","1","","Yamada, Shigeyuki; Rokusha, Yuki; Kawano, Ryo; Fujisawa, Kaori; Tsutsumi, Osamu","Mesogenic gold complexes showing aggregation-induced enhancement of phosphorescence in both crystalline and liquid-crystalline phases.","Faraday discussions","2017","196","","269","283","10.1039/c6fd00157b","","","0.71073","MoKα","","0.0795","0.046","","","0.1402","0.1693","","","","","","0.897","","","","has coordinates","193857","2020-10-21","18:00:00",""
"1543720","42.33","0.02","7.082","0.003","6.912","0.003","90","","91.738","0.009","90","","2071.1","1.6","296","2","296","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","(4-Isocyano-4'-octyloxy-1,1'-biphenyl)gold(I) chloride","","- C21 H25 Au Cl N O -","- C21 H25 Au Cl N O -","- C84 H100 Au4 Cl4 N4 O4 -","4","1","","Yamada, Shigeyuki; Rokusha, Yuki; Kawano, Ryo; Fujisawa, Kaori; Tsutsumi, Osamu","Mesogenic gold complexes showing aggregation-induced enhancement of phosphorescence in both crystalline and liquid-crystalline phases.","Faraday discussions","2017","196","","269","283","10.1039/c6fd00157b","","","0.71073","MoKα","","0.1102","0.0727","","","0.1992","0.2207","","","","","","1.143","","","","has coordinates","193857","2020-10-21","18:00:00",""
"1543731","10.8613","0.0006","13.0319","0.0007","26.5818","0.0015","89.75","0.0009","82.163","0.0009","72.238","0.0009","3546.9","0.3","120","2","120","2","","","","","","","","3","P -1","-P 1","2","","1,1-Dicyano-2-(4-pyrrolidinephenyl)ethylene","","- C14 H13 N3 -","- C14 H13 N3 -","- C168 H156 N36 -","12","6","","Nitti, Andrea; Villafiorita-Monteleone, Francesca; Pacini, Aurora; Botta, Chiara; Virgili, Tersilla; Forni, Alessandra; Cariati, Elena; Boiocchi, Massimo; Pasini, Dario","Structure-activity relationship for the solid state emission of a new family of ""push-pull""π-extended chromophores.","Faraday discussions","2017","196","","143","161","10.1039/c6fd00161k","","","0.71073","MoKα","","0.0872","0.0642","","","0.1649","0.1794","","","","","","1.071","","","","has coordinates,has disorder","193854","2020-10-21","18:00:00",""
"1543732","17.518","0.004","8.6661","0.0015","10.772","0.003","90","","110.164","0.005","90","","1535.1","0.6","293","2","293","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","1,1-Dicyano-2,2-bis(4-dimethoxyphenyl)ethylene","","- C18 H14 N2 O2 -","- C18 H14 N2 O2 -","- C72 H56 N8 O8 -","4","0.5","","Nitti, Andrea; Villafiorita-Monteleone, Francesca; Pacini, Aurora; Botta, Chiara; Virgili, Tersilla; Forni, Alessandra; Cariati, Elena; Boiocchi, Massimo; Pasini, Dario","Structure-activity relationship for the solid state emission of a new family of ""push-pull""π-extended chromophores.","Faraday discussions","2017","196","","143","161","10.1039/c6fd00161k","","","0.71073","MoKα","","0.0882","0.0491","","","0.1127","0.1323","","","","","","1.007","","","","has coordinates","193854","2020-10-21","18:00:00",""
"1543746","6.3523","0.0002","8.0207","0.0002","16.3894","0.0004","92.3795","0.0018","95.9413","0.0018","110.114","0.0017","777.24","0.04","173","2","173","2","","","","","","","","4","P -1","-P 1","2","","","","- C35 H40 B2 O4 -","- C35 H40 B2 O4 -","- C35 H40 B2 O4 -","1","0.5","","Braun, Christina A.; Zomerman, Derek; de Aguiar, Inara; Qi, Yanyu; Delgado, William Torres; Ferguson, Michael J.; McDonald, Robert; de Souza, Gabriel L. C.; He, Gang; Brown, Alex; Rivard, Eric","Probing the nature of peripheral boryl groups within luminescent tellurophenes.","Faraday discussions","2017","196","","255","268","10.1039/c6fd00172f","","","1.54178","CuKα","","0.074","0.0605","","","0.1701","0.1826","","","","","","1.046","","","","has coordinates,has disorder","193858","2020-10-21","18:00:00",""
"1543747","18.8131","0.0003","11.1794","0.0002","26.4236","0.0005","90","","93.0441","0.0006","90","","5549.55","0.17","173","2","173","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C50 H92 B2 N4 O6 Te -","- C50 H92 B2 N4 O6 Te -","- C200 H368 B8 N16 O24 Te4 -","4","0.5","","Braun, Christina A.; Zomerman, Derek; de Aguiar, Inara; Qi, Yanyu; Delgado, William Torres; Ferguson, Michael J.; McDonald, Robert; de Souza, Gabriel L. C.; He, Gang; Brown, Alex; Rivard, Eric","Probing the nature of peripheral boryl groups within luminescent tellurophenes.","Faraday discussions","2017","196","","255","268","10.1039/c6fd00172f","","","1.54178","CuKα","","0.0214","0.0212","","","0.0559","0.056","","","","","","1.089","","","","has coordinates","193858","2020-10-21","18:00:00",""
"1543748","10.3086","0.0002","15.0795","0.0003","21.3795","0.0004","90","","93.2679","0.0007","90","","3318.01","0.11","173","2","173","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C31 H52 B2 N2 O4 Te -","- C31 H52 B2 N2 O4 Te -","- C124 H208 B8 N8 O16 Te4 -","4","1","","Braun, Christina A.; Zomerman, Derek; de Aguiar, Inara; Qi, Yanyu; Delgado, William Torres; Ferguson, Michael J.; McDonald, Robert; de Souza, Gabriel L. C.; He, Gang; Brown, Alex; Rivard, Eric","Probing the nature of peripheral boryl groups within luminescent tellurophenes.","Faraday discussions","2017","196","","255","268","10.1039/c6fd00172f","","","1.54178","CuKα","","0.0266","0.0261","","","0.0665","0.0668","","","","","","1.062","","","","has coordinates","193858","2020-10-21","18:00:00",""
"1543754","46.53","0.009","6.7629","0.0014","7.2639","0.0015","90","","97.22","0.03","90","","2267.7","0.8","293","2","293","2","","","","","","","","3","C 1 2/c 1","-C 2yc","15","(2Z, 2'Z)-3,3'-(1,4-phenylene)bis(2-(naphthalen-2-yl) acrylonitrile","PBNA","","- C32 H20 N2 -","- C32 H20 N2 -","- C128 H80 N8 -","4","0.5","","Liu, Liqun; Wang, Kai; Deng, Jian; Zhang, Zhe; Wang, Yan; Ma, Yuguang","Restorable piezochromism phenomenon in an AIE molecular crystal: combined synchronous Raman scattering.","Faraday discussions","2017","196","","415","426","10.1039/c6fd00154h","","","0.71073","MoKα","","0.0868","0.0512","","","0.1285","0.143","","","","","","0.949","","","","has coordinates","193856","2020-10-21","18:00:00",""
"1543756","36.653","0.007","21.504","0.004","17.115","0.003","90","","98.833","0.007","90","","13330","4","93","2","93","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","2Ni","","- C77 H77 Cl2.99 N6 Ni -","- C77.002 H77 Cl2.994 N6.002 Ni -","- C616.016 H616 Cl23.952 N48.016 Ni8 -","8","1","","Fukui, Norihito; Cha, Wonhee; Shimizu, Daiki; Oh, Juwon; Furukawa, Ko; Yorimitsu, Hideki; Kim, Dongho; Osuka, Atsuhiro","Highly planar diarylamine-fused porphyrins and their remarkably stable radical cations.","Chemical science","2017","8","1","189","199","10.1039/c6sc02721k","","","1.54187","CuKα","","0.0969","0.0768","","","0.226","0.2444","","","","","","1.047","","","","has coordinates,has disorder","196314","2020-10-21","18:00:00",""
"1543757","21.181","0.007","10.751","0.004","29.482","0.01","90","","100.128","0.009","90","","6609","4","93","2","93","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","3Ni","","- C84.5 H83 N5 Ni O -","- C84.5 H83 N5 Ni O -","- C338 H332 N20 Ni4 O4 -","4","1","","Fukui, Norihito; Cha, Wonhee; Shimizu, Daiki; Oh, Juwon; Furukawa, Ko; Yorimitsu, Hideki; Kim, Dongho; Osuka, Atsuhiro","Highly planar diarylamine-fused porphyrins and their remarkably stable radical cations.","Chemical science","2017","8","1","189","199","10.1039/c6sc02721k","","","1.54187","CuKα","","0.0838","0.0714","","","0.1913","0.2075","","","","","","1.029","","","","has coordinates","196314","2020-10-21","18:00:00",""
"1543758","12.375","0.007","16.832","0.01","18.491","0.01","110.391","0.008","98.378","0.015","106.725","0.001","3325","3","93","2","93","2","","","","","","","","6","P -1","-P 1","2","","6","","- C75 H77 Cl1.2 N5 Ni O1.3 -","- C75.001 H77.409 Cl1.227 N5 Ni O1.296 -","- C150.002 H154.818 Cl2.454 N10 Ni2 O2.592 -","2","1","","Fukui, Norihito; Cha, Wonhee; Shimizu, Daiki; Oh, Juwon; Furukawa, Ko; Yorimitsu, Hideki; Kim, Dongho; Osuka, Atsuhiro","Highly planar diarylamine-fused porphyrins and their remarkably stable radical cations.","Chemical science","2017","8","1","189","199","10.1039/c6sc02721k","","","1.54187","CuKα","","0.1029","0.0837","","","0.2257","0.2483","","","","","","1.092","","","","has coordinates,has disorder","196314","2020-10-21","18:00:00",""
"1543759","18.141","0.003","20.0791","0.0019","20.299","0.002","62.0374","0.001","79.03","0.016","87.782","0.014","6400.6","1.4","93","2","93","2","","","","","","","","6","P -1","-P 1","2","","8","","- C74.75 H73.75 Cl4.25 N5 Ni O -","- C74.75 H73.75 Cl4.25 N5 Ni O -","- C299 H295 Cl17 N20 Ni4 O4 -","4","2","","Fukui, Norihito; Cha, Wonhee; Shimizu, Daiki; Oh, Juwon; Furukawa, Ko; Yorimitsu, Hideki; Kim, Dongho; Osuka, Atsuhiro","Highly planar diarylamine-fused porphyrins and their remarkably stable radical cations.","Chemical science","2017","8","1","189","199","10.1039/c6sc02721k","","","1.54187","CuKα","","0.1256","0.0791","","","0.2204","0.2451","","","","","","1.045","","","","has coordinates,has disorder","217633","2020-10-21","18:00:00",""
"1543760","57.941","0.006","57.941","0.006","10.6631","0.0012","90","","90","","90","","35798","7","93","2","93","2","","","","","","","","7","I 41/a","-I 4ad","88","","[8]+","","- C87 H101 Cl10 N5 Ni O Sb -","- C87 H101 Cl10 N5 Ni O Sb -","- C1392 H1616 Cl160 N80 Ni16 O16 Sb16 -","16","","","Fukui, Norihito; Cha, Wonhee; Shimizu, Daiki; Oh, Juwon; Furukawa, Ko; Yorimitsu, Hideki; Kim, Dongho; Osuka, Atsuhiro","Highly planar diarylamine-fused porphyrins and their remarkably stable radical cations.","Chemical science","2017","8","1","189","199","10.1039/c6sc02721k","","","1.54187","CuKα","","0.1022","0.0992","","","0.2675","0.2692","","","","","","1.079","","","","has coordinates,has disorder","196314","2020-10-21","18:00:00",""
"1543761","72.72","0.009","13.4081","0.0016","33.152","0.004","90","","102.869","0.004","90","","31512","7","93","2","93","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","9","","- C165 H150 Cl19 N10 Ni2 O5 -","- C165 H150 Cl19 N10 Ni2 O5 -","- C1320 H1200 Cl152 N80 Ni16 O40 -","8","1","","Fukui, Norihito; Cha, Wonhee; Shimizu, Daiki; Oh, Juwon; Furukawa, Ko; Yorimitsu, Hideki; Kim, Dongho; Osuka, Atsuhiro","Highly planar diarylamine-fused porphyrins and their remarkably stable radical cations.","Chemical science","2017","8","1","189","199","10.1039/c6sc02721k","","","1.54187","CuKα","","0.1197","0.0996","","","0.264","0.28","","","","","","1.064","","","","has coordinates,has disorder","196314","2020-10-21","18:00:00",""
"1543762","27.888","0.011","9.758","0.003","29.846","0.011","90","","113.508","0.006","90","","7448","5","93","2","93","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","[9]+","","- C74.5 H76 Cl9 N5 Ni Sb -","- C74.5 H76 Cl9 N5 Ni Sb -","- C298 H304 Cl36 N20 Ni4 Sb4 -","4","1","","Fukui, Norihito; Cha, Wonhee; Shimizu, Daiki; Oh, Juwon; Furukawa, Ko; Yorimitsu, Hideki; Kim, Dongho; Osuka, Atsuhiro","Highly planar diarylamine-fused porphyrins and their remarkably stable radical cations.","Chemical science","2017","8","1","189","199","10.1039/c6sc02721k","","","1.54187","CuKα","","0.1312","0.0826","","","0.213","0.2363","","","","","","1.004","","","","has coordinates,has disorder","196314","2020-10-21","18:00:00",""
"1543770","14.343","0.005","14.782","0.005","18.878","0.005","102.538","0.005","103.764","0.005","97.046","0.005","3730","2","327","2","327","2","","","","","","","","7","P -1","-P 1","2","","","","- C74 H79.5 F12 N8.5 O5 P2 Zn -","- C74 H73.5 F12 N8.5 O5 P2 Zn -","- C148 H147 F24 N17 O10 P4 Zn2 -","2","1","","Tian, Xiaohe; Zhang, Qiong; Zhang, Mingzhu; Uvdal, Kajsa; Wang, Qin; Chen, Junyang; Du, Wei; Huang, Bei; Wu, Jieying; Tian, Yupeng","Probe for simultaneous membrane and nucleus labeling in living cells and in vivo bioimaging using a two-photon absorption water-soluble Zn(ii) terpyridine complex with a reduced π-conjugation system.","Chemical science","2017","8","1","142","149","10.1039/c6sc02342h","","","0.71069","MoKα","","0.0941","0.0797","","","0.2223","0.2472","","","","","","1.034","","","","has coordinates,has disorder","196313","2020-10-21","18:00:00",""
"1543771","13.732","0.005","15.892","0.005","19.26","0.005","103.178","0.005","90.598","0.005","91.07","0.005","4091","2","298","2","298","2","","","","","","","","7","P -1","-P 1","2","","","","- C85 H75.5 F12 N10.5 O4 P2 Zn -","- C85 H75.5 F12 N10.5 O4 P2 Zn -","- C170 H151 F24 N21 O8 P4 Zn2 -","2","1","","Tian, Xiaohe; Zhang, Qiong; Zhang, Mingzhu; Uvdal, Kajsa; Wang, Qin; Chen, Junyang; Du, Wei; Huang, Bei; Wu, Jieying; Tian, Yupeng","Probe for simultaneous membrane and nucleus labeling in living cells and in vivo bioimaging using a two-photon absorption water-soluble Zn(ii) terpyridine complex with a reduced π-conjugation system.","Chemical science","2017","8","1","142","149","10.1039/c6sc02342h","","","0.71069","MoKα","","0.1523","0.0847","","","0.2259","0.2587","","","","","","1.005","","","","has coordinates","196313","2020-10-21","18:00:00",""
"1543772","5.559","0.005","11.24","0.005","13.638","0.005","75.767","0.005","83.93","0.005","81.445","0.005","814.7","0.9","293","2","293","2","","","","","","","","4","P 1","P 1","1","","","","- C40 H34 N4 O2 -","- C40 H34 N4 O2 -","- C40 H34 N4 O2 -","1","1","","Tian, Xiaohe; Zhang, Qiong; Zhang, Mingzhu; Uvdal, Kajsa; Wang, Qin; Chen, Junyang; Du, Wei; Huang, Bei; Wu, Jieying; Tian, Yupeng","Probe for simultaneous membrane and nucleus labeling in living cells and in vivo bioimaging using a two-photon absorption water-soluble Zn(ii) terpyridine complex with a reduced π-conjugation system.","Chemical science","2017","8","1","142","149","10.1039/c6sc02342h","","","0.71069","MoKα","","0.1104","0.0661","","","0.157","0.1861","","","","","","1.042","","","","has coordinates,has disorder","196313","2020-10-21","18:00:00",""
"1543854","14.17","0.0007","14.2848","0.0007","25.4039","0.0012","90","","95.518","0.002","90","","5118.3","0.4","200","2","200","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C31 H79 Gd2 K N4 Si8 -","- C31 H79 Gd2 K N4 Si8 -","- C124 H316 Gd8 K4 N16 Si32 -","4","1","","Harriman, Katie L. M.; Le Roy, Jennifer J.; Ungur, Liviu; Holmberg, Rebecca J.; Korobkov, Ilia; Murugesu, Muralee","Cycloheptatrienyl trianion: an elusive bridge in the search of exchange coupled dinuclear organolanthanide single-molecule magnets.","Chemical science","2017","8","1","231","240","10.1039/c6sc01224h","","","0.71073","MoKα","","0.0544","0.033","","","0.0626","0.0725","","","","","","1.055","","","","has coordinates","196320","2020-10-21","18:00:00",""
"1543855","14.1259","0.0004","14.2954","0.0004","25.2343","0.0006","90","","95.2741","0.0013","90","","5074.1","0.2","200","2","200","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C31 H79 Dy2 K N4 Si8 -","- C31 H79 Dy2 K N4 Si8 -","- C124 H316 Dy8 K4 N16 Si32 -","4","1","","Harriman, Katie L. M.; Le Roy, Jennifer J.; Ungur, Liviu; Holmberg, Rebecca J.; Korobkov, Ilia; Murugesu, Muralee","Cycloheptatrienyl trianion: an elusive bridge in the search of exchange coupled dinuclear organolanthanide single-molecule magnets.","Chemical science","2017","8","1","231","240","10.1039/c6sc01224h","","","0.71073","MoKα","","0.0424","0.0299","","","0.0642","0.0693","","","","","","1.019","","","","has coordinates","196320","2020-10-21","18:00:00",""
"1543856","14.0946","0.0007","14.2965","0.0008","25.1055","0.0013","90","","95.17","0.003","90","","5038.3","0.5","200","2","200","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C31 H79 Er2 K N4 Si8 -","- C31 H79 Er2 K N4 Si8 -","- C124 H316 Er8 K4 N16 Si32 -","4","1","","Harriman, Katie L. M.; Le Roy, Jennifer J.; Ungur, Liviu; Holmberg, Rebecca J.; Korobkov, Ilia; Murugesu, Muralee","Cycloheptatrienyl trianion: an elusive bridge in the search of exchange coupled dinuclear organolanthanide single-molecule magnets.","Chemical science","2017","8","1","231","240","10.1039/c6sc01224h","","","0.71073","MoKα","","0.0648","0.0443","","","0.112","0.1336","","","","","","1.063","","","","has coordinates","196320","2020-10-21","18:00:00",""
"1543857","20.1042","0.0007","18.7574","0.0006","16.5696","0.0006","90","","107.851","0.0017","90","","5947.6","0.4","200","2","200","2","","","","","","","","7","C 1 2/c 1","-C 2yc","15","","","","- C39 H95 Er2 K N4 O2 Si8 -","- C39 H95 Er2 K N4 O2 Si8 -","- C156 H380 Er8 K4 N16 O8 Si32 -","4","0.5","","Harriman, Katie L. M.; Le Roy, Jennifer J.; Ungur, Liviu; Holmberg, Rebecca J.; Korobkov, Ilia; Murugesu, Muralee","Cycloheptatrienyl trianion: an elusive bridge in the search of exchange coupled dinuclear organolanthanide single-molecule magnets.","Chemical science","2017","8","1","231","240","10.1039/c6sc01224h","","","0.71073","MoKα","","0.0438","0.0384","","","0.1251","0.1325","","","","","","1.071","","","","has coordinates,has disorder","196320","2020-10-21","18:00:00",""
"1543879","8.6902","0.0017","13.87","0.003","17.377","0.004","90","","102.8","0.03","90","","2042.5","0.8","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","4FI-1","BP4VA FI-1","","- C20 H10 F3 I3 N -","- C20 H10 F3 I3 N -","- C80 H40 F12 I12 N4 -","4","1","","Liu, Yingjie; Ma, Suqian; Xu, Bin; Tian, Wenjing","Construction and function of a highly efficient supramolecular luminescent system.","Faraday discussions","2017","196","","219","229","10.1039/c6fd00166a","","","0.71073","MoKα","","0.0646","0.0462","","","0.1237","0.1414","","","","","","1.035","","","","has coordinates","193855","2020-10-21","18:00:00",""
"1543880","5.142","0.001","12.724","0.003","16.436","0.003","109.15","0.03","96","0.03","93.79","0.03","1004.5","0.4","293","2","293","2","","","","","","","","5","P -1","-P 1","2","4FI-2","BP4VA FI-2","","- C40 H20 F6 I6 N2 -","- C40 H20 F6 I6 N2 -","- C40 H20 F6 I6 N2 -","1","0.5","","Liu, Yingjie; Ma, Suqian; Xu, Bin; Tian, Wenjing","Construction and function of a highly efficient supramolecular luminescent system.","Faraday discussions","2017","196","","219","229","10.1039/c6fd00166a","","","0.71073","MoKα","","0.0447","0.0354","","","0.0787","0.0815","","","","","","1.065","","","","has coordinates","193855","2020-10-21","18:00:00",""
"1543891","7.6555","0.0003","13.0617","0.0005","16.9622","0.0005","90","","96.793","0.003","90","","1684.21","0.11","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C18 H22 N O2 Rh -","- C18 H22 N O2 Rh -","- C72 H88 N4 O8 Rh4 -","4","1","","Wu, Qian; Chen, Ying; Yan, Dingyuan; Zhang, Muyue; Lu, Yi; Sun, Wei-Yin; Zhao, Jing","Unified synthesis of mono/bis-arylated phenols via Rh(III)-catalyzed dehydrogenative coupling.","Chemical science","2017","8","1","169","173","10.1039/c6sc03169b","","","1.54178","CuKα","","0.0451","0.0425","","","0.1095","0.1137","","","","","","1.028","","","","has coordinates","196319","2020-10-21","18:00:00",""
"1543892","7.3899","0.0001","13.5531","0.0002","32.123","0.002","90","","90","","90","","3217.3","0.2","293","2","293","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C20 H12 N2 O S2 -","- C20 H12 N2 O S2 -","- C160 H96 N16 O8 S16 -","8","1","","Wu, Qian; Chen, Ying; Yan, Dingyuan; Zhang, Muyue; Lu, Yi; Sun, Wei-Yin; Zhao, Jing","Unified synthesis of mono/bis-arylated phenols via Rh(III)-catalyzed dehydrogenative coupling.","Chemical science","2017","8","1","169","173","10.1039/c6sc03169b","","","1.54187","CuKα","","0.1153","0.0684","","","0.1715","0.2246","","","","","","1.095","","","","has coordinates","196319","2020-10-21","18:00:00",""
"1543893","4.7941","0.0007","15.333","0.002","17.698","0.003","90","","90","","90","","1300.9","0.3","150","2","150","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","chenying","cy-P3-NHAc-thiazole","","- C15 H12 N2 O2 S -","- C15 H12 N2 O2 S -","- C60 H48 N8 O8 S4 -","4","1","","Wu, Qian; Chen, Ying; Yan, Dingyuan; Zhang, Muyue; Lu, Yi; Sun, Wei-Yin; Zhao, Jing","Unified synthesis of mono/bis-arylated phenols via Rh(III)-catalyzed dehydrogenative coupling.","Chemical science","2017","8","1","169","173","10.1039/c6sc03169b","","","0.71073","MoKα","","0.0895","0.0567","","","0.1193","0.1374","","","","","","1.042","","","","has coordinates","214153","2020-10-21","18:00:00",""
"1543894","4.6897","0.0007","12.449","0.003","15.119","0.004","109.35","0.02","96.794","0.016","99.101","0.016","808.4","0.3","150","2","150","2","","","","","","","","5","P -1","-P 1","2","","cy-hybrid-P2","","- C21 H14 N2 O2 S -","- C21 H14 N2 O2 S -","- C42 H28 N4 O4 S2 -","2","1","","Wu, Qian; Chen, Ying; Yan, Dingyuan; Zhang, Muyue; Lu, Yi; Sun, Wei-Yin; Zhao, Jing","Unified synthesis of mono/bis-arylated phenols via Rh(III)-catalyzed dehydrogenative coupling.","Chemical science","2017","8","1","169","173","10.1039/c6sc03169b","","","1.54178","CuKα","","0.1509","0.1127","","","0.2996","0.3289","","","","","","1.188","","","","has coordinates","214153","2020-10-21","18:00:00",""
"1543895","10.531","0.0011","15.6321","0.0015","13.7351","0.0018","90","","94.071","0.01","90","","2255.4","0.4","293","2","293","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C12 H12 N2 O3 -","- C12 H12 N2 O3 -","- C96 H96 N16 O24 -","8","2","","Gupta, Vinod Kumar; Singh, Ram Adhar","Aggregation-induced enhanced green light emission from a simple donor-π-acceptor (D-π-A) material: a structure-property relationship study.","Faraday discussions","2017","196","","131","142","10.1039/c6fd00158k","","","0.71073","MoKα","","0.1469","0.0818","","","0.2164","0.2624","","","","","","0.981","","","","has coordinates","193859","2020-10-21","18:00:00",""
"1543896","3.9225","0.0003","10.7762","0.0009","23.142","0.002","90","","93.453","0.007","90","","976.43","0.14","293","2","293","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C11 H10 N2 O2 -","- C11 H10 N2 O2 -","- C44 H40 N8 O8 -","4","1","","Gupta, Vinod Kumar; Singh, Ram Adhar","Aggregation-induced enhanced green light emission from a simple donor-π-acceptor (D-π-A) material: a structure-property relationship study.","Faraday discussions","2017","196","","131","142","10.1039/c6fd00158k","","","0.71073","MoKα","","0.0796","0.0466","","","0.1021","0.1223","","","","","","1.036","","","","has coordinates","193859","2020-10-21","18:00:00",""
"1543908","40.091","0.005","7.8348","0.0009","16.111","0.002","90","","113.26","0.008","90","","4649.2","1","100","2","100","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C26 H32 N2 O2 -","- C26 H32 N2 O2 -","- C208 H256 N16 O16 -","8","1","","Craig, 2nd, Robert A; Roizen, Jennifer L.; Smith, Russell C.; Jones, Amanda C.; Virgil, Scott C.; Stoltz, Brian M.","Enantioselective, Convergent Synthesis of the Ineleganolide Core by a Tandem Annulation Cascade.","Chemical science","2017","8","1","507","514","10.1039/C6SC03347D","","","0.71073","MoKα","","0.0668","0.044","","","0.1183","0.1357","","","","","","1.018","","","","has coordinates","193728","2020-10-21","18:00:00",""
"1543909","8.2463","0.0002","10.3683","0.0003","19.3151","0.0005","90","","90","","90","","1651.44","0.08","100","","100","","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C19 H24 O6 -","- C19 H24 O6 -","- C76 H96 O24 -","4","1","","Craig, 2nd, Robert A; Roizen, Jennifer L.; Smith, Russell C.; Jones, Amanda C.; Virgil, Scott C.; Stoltz, Brian M.","Enantioselective, Convergent Synthesis of the Ineleganolide Core by a Tandem Annulation Cascade.","Chemical science","2017","8","1","507","514","10.1039/C6SC03347D","","","1.54178","CuKα","","0.0268","0.0252","","","0.0607","0.0619","","","","","","1.07","","","","has coordinates","193728","2020-10-21","18:00:00",""
"1543910","11.7563","0.0019","5.3917","0.0008","12.861","0.002","90","","104.529","0.008","90","","789.1","0.2","100","2","100","2","","","","","","","","3","P 1 21 1","P 2yb","4","","","","- C19 H22 O4 -","- C19 H22 O4 -","- C38 H44 O8 -","2","1","","Craig, 2nd, Robert A; Roizen, Jennifer L.; Smith, Russell C.; Jones, Amanda C.; Virgil, Scott C.; Stoltz, Brian M.","Enantioselective, Convergent Synthesis of the Ineleganolide Core by a Tandem Annulation Cascade.","Chemical science","2017","8","1","507","514","10.1039/C6SC03347D","","","0.71073","MoKα","","0.0898","0.0505","","","0.1037","0.118","","","","","","1.016","","","","has coordinates","193728","2020-10-21","18:00:00",""
"1543911","6.9222","0.0002","11.147","0.0004","10.4409","0.0004","90","","94.07","0.002","90","","803.61","0.05","100","2","100","2","","","","","","","","3","P 1 21 1","P 2yb","4","","","","- C19 H22 O5 -","- C19 H22 O5 -","- C38 H44 O10 -","2","1","","Craig, 2nd, Robert A; Roizen, Jennifer L.; Smith, Russell C.; Jones, Amanda C.; Virgil, Scott C.; Stoltz, Brian M.","Enantioselective, Convergent Synthesis of the Ineleganolide Core by a Tandem Annulation Cascade.","Chemical science","2017","8","1","507","514","10.1039/C6SC03347D","","","0.71073","MoKα","","0.0538","0.0445","","","0.1109","0.1198","","","","","","1.067","","","","has coordinates","193728","2020-10-21","18:00:00",""
"1543912","8.2576","0.0003","10.4049","0.0004","19.0995","0.0008","90","","90","","90","","1641.02","0.11","100","2","100","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C19 H22 O6 -","- C19 H22 O6 -","- C76 H88 O24 -","4","1","","Craig, 2nd, Robert A; Roizen, Jennifer L.; Smith, Russell C.; Jones, Amanda C.; Virgil, Scott C.; Stoltz, Brian M.","Enantioselective, Convergent Synthesis of the Ineleganolide Core by a Tandem Annulation Cascade.","Chemical science","2017","8","1","507","514","10.1039/C6SC03347D","","","0.71073","MoKα","","0.0613","0.0442","","","0.1107","0.1176","","","","","","1.06","","","","has coordinates","193728","2020-10-21","18:00:00",""
"1543913","7.6137","0.0004","9.3584","0.0005","24.1592","0.0013","90","","90","","90","","1721.39","0.16","100","2","100","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C19 H23 Br O5 -","- C19 H23 Br O5 -","- C76 H92 Br4 O20 -","4","1","","Craig, 2nd, Robert A; Roizen, Jennifer L.; Smith, Russell C.; Jones, Amanda C.; Virgil, Scott C.; Stoltz, Brian M.","Enantioselective, Convergent Synthesis of the Ineleganolide Core by a Tandem Annulation Cascade.","Chemical science","2017","8","1","507","514","10.1039/C6SC03347D","","","0.71073","MoKα","","0.0297","0.0251","","","0.0613","0.0625","","","","","","1.035","","","","has coordinates","193728","2020-10-21","18:00:00",""
"1543914","6.2703","0.0009","11.2931","0.0016","23.177","0.004","90","","90","","90","","1641.2","0.4","100","","100","","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C19 H24 O5 -","- C19 H24 O5 -","- C76 H96 O20 -","4","1","","Craig, 2nd, Robert A; Roizen, Jennifer L.; Smith, Russell C.; Jones, Amanda C.; Virgil, Scott C.; Stoltz, Brian M.","Enantioselective, Convergent Synthesis of the Ineleganolide Core by a Tandem Annulation Cascade.","Chemical science","2017","8","1","507","514","10.1039/C6SC03347D","","","0.71073","MoKα","","0.0538","0.0413","","","0.0809","0.0831","","","","","","1.447","","","","has coordinates","193728","2020-10-21","18:00:00",""
"1543915","10.4079","0.0003","14.7042","0.0004","21.8592","0.0006","90","","90","","90","","3345.33","0.16","100","","100","","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C19 H24 O5 -","- C19 H24 O5 -","- C152 H192 O40 -","8","2","","Craig, 2nd, Robert A; Roizen, Jennifer L.; Smith, Russell C.; Jones, Amanda C.; Virgil, Scott C.; Stoltz, Brian M.","Enantioselective, Convergent Synthesis of the Ineleganolide Core by a Tandem Annulation Cascade.","Chemical science","2017","8","1","507","514","10.1039/C6SC03347D","","","1.54178","CuKα","","0.0533","0.0395","","","0.078","0.0832","","","","","","1.059","","","","has coordinates","193728","2020-10-21","18:00:00",""
"1543941","10.9852","0.0007","20.5331","0.0014","19.4487","0.0013","90","","91.193","0.006","90","","4385.9","0.5","93","2","93","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C82 H14 O2 -","- C82 H14 O2 -","- C328 H56 O8 -","4","1","","Umeyama, Tomokazu; Miyata, Tetsushi; Jakowetz, Andreas C.; Shibata, Sho; Kurotobi, Kei; Higashino, Tomohiro; Koganezawa, Tomoyuki; Tsujimoto, Masahiko; Gélinas, Simon; Matsuda, Wakana; Seki, Shu; Friend, Richard H.; Imahori, Hiroshi","Regioisomer effects of [70]fullerene mono-adduct acceptors in bulk heterojunction polymer solar cells.","Chemical science","2017","8","1","181","188","10.1039/c6sc02950g","","","1.54187","CuKα","","0.1649","0.1491","","","0.3966","0.4125","","","","","","1.079","","","","has coordinates,has disorder","196323","2020-10-21","18:00:00",""
"1543942","26.123","0.004","26.123","0.004","14.146","0.002","90","","90","","90","","9653","2","93","2","93","2","","","","","","","","3","P 42/m b c","-P 4c 2ab","135","","","","- C88 H24 O4 -","- C88 H24 O4 -","- C704 H192 O32 -","8","0.5","","Umeyama, Tomokazu; Miyata, Tetsushi; Jakowetz, Andreas C.; Shibata, Sho; Kurotobi, Kei; Higashino, Tomohiro; Koganezawa, Tomoyuki; Tsujimoto, Masahiko; Gélinas, Simon; Matsuda, Wakana; Seki, Shu; Friend, Richard H.; Imahori, Hiroshi","Regioisomer effects of [70]fullerene mono-adduct acceptors in bulk heterojunction polymer solar cells.","Chemical science","2017","8","1","181","188","10.1039/c6sc02950g","","","1.54187","CuKα","","0.1284","0.1177","","","0.4081","0.4472","","","","","","1.077","","","","has coordinates,has disorder","196323","2020-10-21","18:00:00",""
"1543943","10.147","0.0016","23.719","0.004","21.227","0.004","90","","102.193","0.002","90","","4993.6","1.5","143","2","143","2","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","","","- C91 H31 O4 -","- C91 H31 O4 -","- C364 H124 O16 -","4","1","","Umeyama, Tomokazu; Miyata, Tetsushi; Jakowetz, Andreas C.; Shibata, Sho; Kurotobi, Kei; Higashino, Tomohiro; Koganezawa, Tomoyuki; Tsujimoto, Masahiko; Gélinas, Simon; Matsuda, Wakana; Seki, Shu; Friend, Richard H.; Imahori, Hiroshi","Regioisomer effects of [70]fullerene mono-adduct acceptors in bulk heterojunction polymer solar cells.","Chemical science","2017","8","1","181","188","10.1039/c6sc02950g","","","0.7107","MoKα","","0.072","0.0616","","","0.153","0.1624","","","","","","1.056","","","","has coordinates,has disorder","196323","2020-10-21","18:00:00",""
"1543947","10.5808","0.0004","13.0767","0.0005","14.3976","0.0006","93.447","0.003","106.228","0.004","97.527","0.003","1886.41","0.14","150","2","150","2","","","","","","","","8","P -1","-P 1","2","1","Ir1","","- C37 H28 Cl2 F10 Ir N4 O P -","- C37 H28 Cl2 F10 Ir N4 O P -","- C74 H56 Cl4 F20 Ir2 N8 O2 P2 -","2","1","","Cao, Jian-Jun; Tan, Cai-Ping; Chen, Mu-He; Wu, Na; Yao, De-Yang; Liu, Xing-Guo; Ji, Liang-Nian; Mao, Zong-Wan","Targeting cancer cell metabolism with mitochondria-immobilized phosphorescent cyclometalated iridium(iii) complexes","Chem. Sci.","2017","8","1","631","","10.1039/C6SC02901A","","","1.54178","CuKα","","0.0377","0.0318","","","0.0731","0.0774","","","","","","1.064","","","","has coordinates","191533","2020-10-21","18:00:00",""
"1543948","9.3965","0.0001","39.4086","0.0006","9.8195","0.0002","90","","104.761","0.002","90","","3516.18","0.1","293","2","293","2","","","","","","","","8","P 1 21/c 1","-P 2ybc","14","","","","- C35 H26 Cl2 F10 Ir N4 O2 P -","- C35 H26 Cl2 F10 Ir N4 O2 P -","- C140 H104 Cl8 F40 Ir4 N16 O8 P4 -","4","1","","Cao, Jian-Jun; Tan, Cai-Ping; Chen, Mu-He; Wu, Na; Yao, De-Yang; Liu, Xing-Guo; Ji, Liang-Nian; Mao, Zong-Wan","Targeting cancer cell metabolism with mitochondria-immobilized phosphorescent cyclometalated iridium(iii) complexes","Chem. Sci.","2017","8","1","631","","10.1039/C6SC02901A","","","0.71073","MoKα","","0.0325","0.0264","","","0.0459","0.0476","","","","","","1.136","","","","has coordinates","191533","2020-10-21","18:00:00",""
"1543949","39.1832","0.0011","9.6185","0.0002","19.2745","0.0005","90","","109.894","0.002","90","","6830.7","0.3","250","2","250","2","","","","","","","","7","C 1 2/c 1","-C 2yc","15","","","","- C34 H27.5 F3 Ir N4 O2 P0.5 -","- C34 H27.5 F3 Ir N4 O2 P0.5 -","- C272 H220 F24 Ir8 N32 O16 P4 -","8","1","","Cao, Jian-Jun; Tan, Cai-Ping; Chen, Mu-He; Wu, Na; Yao, De-Yang; Liu, Xing-Guo; Ji, Liang-Nian; Mao, Zong-Wan","Targeting cancer cell metabolism with mitochondria-immobilized phosphorescent cyclometalated iridium(iii) complexes","Chem. Sci.","2017","8","1","631","","10.1039/C6SC02901A","","","1.54178","CuKα","","0.044","0.0369","","","0.0953","0.1039","","","","","","1.02","","","","has coordinates","191533","2020-10-21","18:00:00",""
"1544001","15.505","0.0005","34.4906","0.001","17.2521","0.0005","90","","112.99","0.0017","90","","8493.2","0.5","100","2","100","","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C88 H70 O -","- C88 H70 O -","- C352 H280 O4 -","4","1","","Márquez, Irene R; Fuentes, Noelia; Cruz, Carlos M.; Puente-Muñoz, Virginia; Sotorrios, Lia; Marcos, M. Luisa; Choquesillo-Lazarte, Duane; Biel, Blanca; Crovetto, Luis; Gómez-Bengoa, Enrique; González, M Teresa; Martin, Ruben; Cuerva, Juan M.; Campaña, Araceli G","Versatile synthesis and enlargement of functionalized distorted heptagon-containing nanographenes.","Chemical science","2017","8","2","1068","1074","10.1039/c6sc02895k","","","1.54178","CuKα","","0.1182","0.0843","","","0.2088","0.2232","","","","","","1.09","","","","has coordinates","196346","2020-10-21","18:00:00",""
"1544002","7.5395","0.0005","34.5192","0.0018","11.7823","0.0006","90","","100.084","0.003","90","","3019.1","0.3","100","2","100","","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C47 H28 O5 -","- C47 H28 O5 -","- C188 H112 O20 -","4","1","","Márquez, Irene R; Fuentes, Noelia; Cruz, Carlos M.; Puente-Muñoz, Virginia; Sotorrios, Lia; Marcos, M. Luisa; Choquesillo-Lazarte, Duane; Biel, Blanca; Crovetto, Luis; Gómez-Bengoa, Enrique; González, M Teresa; Martin, Ruben; Cuerva, Juan M.; Campaña, Araceli G","Versatile synthesis and enlargement of functionalized distorted heptagon-containing nanographenes.","Chemical science","2017","8","2","1068","1074","10.1039/c6sc02895k","","","1.54178","CuKα","","0.1218","0.0613","","","0.1171","0.1404","","","","","","1.017","","","","has coordinates","196346","2020-10-21","18:00:00",""
"1544003","11.664","0.002","12.471","0.002","13.809","0.003","116.004","0.015","114.439","0.013","91.219","0.014","1592.4","0.6","100","2","100","","","","","","","","","4","P -1","-P 1","2","","","","- C46 H22 Cl2 O5 -","- C45 H24 O5 -","- C90 H48 O10 -","2","1","","Márquez, Irene R; Fuentes, Noelia; Cruz, Carlos M.; Puente-Muñoz, Virginia; Sotorrios, Lia; Marcos, M. Luisa; Choquesillo-Lazarte, Duane; Biel, Blanca; Crovetto, Luis; Gómez-Bengoa, Enrique; González, M Teresa; Martin, Ruben; Cuerva, Juan M.; Campaña, Araceli G","Versatile synthesis and enlargement of functionalized distorted heptagon-containing nanographenes.","Chemical science","2017","8","2","1068","1074","10.1039/c6sc02895k","","","1.54178","CuKα","","0.1575","0.0718","","","0.154","0.1814","","","","","","0.925","","","","has coordinates","196346","2020-10-21","18:00:00",""
"1544004","13.1702","0.0008","17.3964","0.0012","17.5084","0.0011","63.486","0.005","70.365","0.004","81.999","0.004","3380.5","0.4","100","2","100","","","","","","","","","3","P -1","-P 1","2","","","","- C50 H33 O5 -","- C47 H26 O5 -","- C188 H104 O20 -","4","2","","Márquez, Irene R; Fuentes, Noelia; Cruz, Carlos M.; Puente-Muñoz, Virginia; Sotorrios, Lia; Marcos, M. Luisa; Choquesillo-Lazarte, Duane; Biel, Blanca; Crovetto, Luis; Gómez-Bengoa, Enrique; González, M Teresa; Martin, Ruben; Cuerva, Juan M.; Campaña, Araceli G","Versatile synthesis and enlargement of functionalized distorted heptagon-containing nanographenes.","Chemical science","2017","8","2","1068","1074","10.1039/c6sc02895k","","","1.54178","CuKα","","0.1842","0.0779","","","0.1537","0.1873","","","","","","0.849","","","","has coordinates","196346","2020-10-21","18:00:00",""
"1544005","6.5174","0.0004","9.8469","0.0005","10.3476","0.0005","113.309","0.005","95.997","0.005","104.217","0.005","575.83","0.06","","","","","","","","","","","","4","P -1","-P 1","2","","","","- C2.545 H1.636 N0.364 O0.182 -","- C2.54545 H1.63636 N0.363636 O0.181818 -","- C28 H18 N4 O2 -","11","5.5","","Zhang, Jing Nan; Kang, Hui; Li, Nan; Zhou, Shi Ming; Sun, Hua Ming; Yin, Shi Wei; Zhao, Na; Tang, Ben Zhong","Organic solid fluorophores regulated by subtle structure modification: color-tunable and aggregation-induced emission.","Chemical science","2017","8","1","577","582","10.1039/c6sc02875f","","","1.54184","CuKα","","0.0455","0.0418","","","0.1135","0.1177","","","","","","1.0717","","","","has coordinates","196312","2020-10-21","18:00:00",""
"1544006","16.7564","0.0006","15.4421","0.0006","21.3159","0.0008","90","","96.792","0.0015","90","","5476.9","0.4","120","2","120","2","","","","","","","","7","P 1 21/n 1","-P 2yn","14","{Na(12-C-4)2}{(PNP)NiCOO}","","","- C51 H88 N Na Ni O14 P2 -","- C51 H88 N Na Ni O14 P2 -","- C204 H352 N4 Na4 Ni4 O56 P8 -","4","1","","Yoo, Changho; Lee, Yunho","Carbon dioxide binding at a Ni/Fe center: synthesis and characterization of Ni(η1-CO2-κC) and Ni-μ-CO2-κC:κ2O,O′-Fe","Chem. Sci.","2017","8","1","600","","10.1039/C6SC03450K","","","0.71073","MoKα","","0.1158","0.0585","","","0.1334","0.1566","","","","","","1.025","","","","has coordinates,has disorder","191539","2020-10-21","18:00:00",""
"1544007","10.1896","0.0005","26.231","0.0013","20.6309","0.001","90","","100.088","0.0017","90","","5429.1","0.5","120","2","120","2","","","","","","","","7","P 1 21/n 1","-P 2yn","14","(PNP)NiCOOFe(PNP)","","","- C53 H80 Fe N2 Ni O2 P4 -","- C53 H80 Fe N2 Ni O2 P4 -","- C212 H320 Fe4 N8 Ni4 O8 P16 -","4","1","","Yoo, Changho; Lee, Yunho","Carbon dioxide binding at a Ni/Fe center: synthesis and characterization of Ni(η1-CO2-κC) and Ni-μ-CO2-κC:κ2O,O′-Fe","Chem. Sci.","2017","8","1","600","","10.1039/C6SC03450K","","","0.71073","MoKα","","0.1049","0.0527","","","0.1016","0.1093","","","","","","1.307","","","","has coordinates","191539","2020-10-21","18:00:00",""
"1544031","38.3207","0.0002","38.3207","0.0002","38.3207","0.00002","90","","90","","90","","56273","0.4","173","2","173","2","","","","","","","","7","I m -3 m","-I 4 2 3","229","","","","- C144 H72 Cl3 Hf12 Ir3 N12 O64 -","- C144 H72 Cl3 Hf12 Ir3 N12 O64 -","- C576 H288 Cl12 Hf48 Ir12 N48 O256 -","4","0.0416667","","Wang, Yingxia; Cui, Hao; Wei, Zhang-Wen; Wang, Hai-Ping; Zhang, Li; Su, Cheng-Yong","Engineering catalytic coordination space in a chemically stable Ir-porphyrin MOF with a confinement effect inverting conventional Si-H insertion chemoselectivity.","Chemical science","2017","8","1","775","780","10.1039/c6sc03288e","","","1.54184","CuKα","","0.1011","0.0991","","","0.2464","0.2476","","","","","","1.017","","","","has coordinates","196316","2020-10-21","18:00:00",""
"1544032","5.5352","0.0001","13.7138","0.0002","17.7912","0.0003","68.191","0.001","82.836","0.001","80.889","0.001","1234.83","0.04","296","1","296","1","","","","","","","","5","P -1","-P 1","2","","4H4TIDIDF","","- C27 H32 F N S2 -","- C27 H32 F N S2 -","- C54 H64 F2 N2 S4 -","2","1","","Cho, Illhun; Jeon, Nam Joong; Kwon, Oh Kyu; Kim, Dong Won; Jung, Eui Hyuk; Noh, Jun Hong; Seo, Jangwon; Seok, Sang Il; Park, Soo Young","Indolo[3,2-b]indole-based crystalline hole-transporting material for highly efficient perovskite solar cells.","Chemical science","2017","8","1","734","741","10.1039/c6sc02832b","","","0.71073","MoKα","","0.1261","0.0756","","","0.244","0.2884","","","","","","1.084","","","","has coordinates","196317","2020-10-21","18:00:00",""
"1544138","6.003","0.006","14.84","0.03","28.93","0.03","90","","90","","90","","2577","6","293","2","293","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","Marek99 (Zack)","Benzyl (S)-4-((S)-4-benzyl-2-oxooxazolidine-3-carbonyl)-4-methyl-2-methyleneoctanoate","","- C28 H33 N O5 -","- C28 H33 N O5 -","- C112 H132 N4 O20 -","4","1","","Nairoukh, Zackaria; Kumar, Gunda G K S Narayana; Minko, Yury; Marek, Ilan","Enantioselective allylic alkylation of stereodefined polysubstituted copper enolates as an entry to acyclic quaternary carbon stereocentres.","Chemical science","2017","8","1","627","630","10.1039/c6sc03036j","","","0.71073","MoKα","","0.0611","0.046","","","0.1174","0.1403","","","","","","1.07","","","","has coordinates","196318","2020-10-21","18:00:00",""
"1544149","10.1634","0.0002","14.7985","0.0003","17.1628","0.0004","96.74","0.001","97.62","0.001","105.399","0.001","2435.05","0.09","223","2","223","2","","","","","","","","6","P -1","-P 1","2","","","","- C47 H43 B2 Cl2 F20 P -","- C47 H43 B2 Cl2 F20 P -","- C94 H86 B4 Cl4 F40 P2 -","2","1","","Liu, Yun-Lin; Kehr, Gerald; Daniliuc, Constantin G.; Erker, Gerhard","Geminal bis-borane formation by borane Lewis acid induced cyclopropyl rearrangement and its frustrated Lewis pair reaction with carbon dioxide.","Chemical science","2017","8","2","1097","1104","10.1039/c6sc03468c","","","0.71073","MoKα","","0.09","0.0653","","","0.1233","0.1407","","","","","","1.081","","","","has coordinates,has disorder","196357","2020-10-21","18:00:00",""
"1544150","13.061","0.002","22.03","0.004","18.545","0.004","90","","91.787","0.007","90","","5333.4","1.7","100","2","100","2","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C48 H41 B2 Cl2 F20 O2 P -","- C48 H41 B2 Cl2 F20 O2 P -","- C192 H164 B8 Cl8 F80 O8 P4 -","4","1","","Liu, Yun-Lin; Kehr, Gerald; Daniliuc, Constantin G.; Erker, Gerhard","Geminal bis-borane formation by borane Lewis acid induced cyclopropyl rearrangement and its frustrated Lewis pair reaction with carbon dioxide.","Chemical science","2017","8","2","1097","1104","10.1039/c6sc03468c","","","1.54178","CuKα","","0.0796","0.0604","","","0.1473","0.1585","","","","","","1.065","","","","has coordinates,has disorder","196357","2020-10-21","18:00:00",""
"1544151","16.4031","0.0016","6.7783","0.0006","25.0981","0.0019","90","","98.45","0.005","90","","2760.2","0.4","100","2","100","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C29 H8 B2 F20 -","- C29 H8 B2 F20 -","- C116 H32 B8 F80 -","4","1","","Liu, Yun-Lin; Kehr, Gerald; Daniliuc, Constantin G.; Erker, Gerhard","Geminal bis-borane formation by borane Lewis acid induced cyclopropyl rearrangement and its frustrated Lewis pair reaction with carbon dioxide.","Chemical science","2017","8","2","1097","1104","10.1039/c6sc03468c","","","1.54178","CuKα","","0.1257","0.0595","","","0.1248","0.1564","","","","","","0.977","","","","has coordinates,has disorder","196357","2020-10-21","18:00:00",""
"1544152","10.7742","0.0005","9.7124","0.0004","26.4759","0.0011","90","","97.347","0.001","90","","2747.8","0.2","100","2","100","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C29 H8 B2 F20 -","- C29 H8 B2 F20 -","- C116 H32 B8 F80 -","4","1","","Liu, Yun-Lin; Kehr, Gerald; Daniliuc, Constantin G.; Erker, Gerhard","Geminal bis-borane formation by borane Lewis acid induced cyclopropyl rearrangement and its frustrated Lewis pair reaction with carbon dioxide.","Chemical science","2017","8","2","1097","1104","10.1039/c6sc03468c","","","0.71073","MoKα","","0.0493","0.0359","","","0.0817","0.0885","","","","","","1.044","","","","has coordinates","196357","2020-10-21","18:00:00",""
"1544153","13.0097","0.0005","21.1601","0.0009","17.7134","0.0007","90","","110.035","0.001","90","","4581.2","0.3","100","2","100","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C42 H39 B2 Cl2 F20 P -","- C42 H39 B2 Cl2 F20 P -","- C168 H156 B8 Cl8 F80 P4 -","4","1","","Liu, Yun-Lin; Kehr, Gerald; Daniliuc, Constantin G.; Erker, Gerhard","Geminal bis-borane formation by borane Lewis acid induced cyclopropyl rearrangement and its frustrated Lewis pair reaction with carbon dioxide.","Chemical science","2017","8","2","1097","1104","10.1039/c6sc03468c","","","0.71073","MoKα","","0.0745","0.0641","","","0.1575","0.1641","","","","","","1.059","","","","has coordinates,has disorder","196357","2020-10-21","18:00:00",""
"1544154","12.8848","0.0007","21.515","0.001","17.7497","0.0008","90","","109.796","0.001","90","","4629.7","0.4","101","2","101","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C41 H37 B2 F20 P -","- C41 H37 B2 F20 P -","- C164 H148 B8 F80 P4 -","4","1","","Liu, Yun-Lin; Kehr, Gerald; Daniliuc, Constantin G.; Erker, Gerhard","Geminal bis-borane formation by borane Lewis acid induced cyclopropyl rearrangement and its frustrated Lewis pair reaction with carbon dioxide.","Chemical science","2017","8","2","1097","1104","10.1039/c6sc03468c","","","0.71073","MoKα","","0.0876","0.0589","","","0.1431","0.155","","","","","","1.047","","","","has coordinates,has disorder","196357","2020-10-21","18:00:00",""
"1544155","12.8388","0.0005","20.0253","0.0006","18.7529","0.0006","90","","97.393","0.001","90","","4781.3","0.3","100","2","100","2","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C44 H39 B2 Cl4 F20 O2 P -","- C44 H39 B2 Cl4 F20 O2 P -","- C176 H156 B8 Cl16 F80 O8 P4 -","4","1","","Liu, Yun-Lin; Kehr, Gerald; Daniliuc, Constantin G.; Erker, Gerhard","Geminal bis-borane formation by borane Lewis acid induced cyclopropyl rearrangement and its frustrated Lewis pair reaction with carbon dioxide.","Chemical science","2017","8","2","1097","1104","10.1039/c6sc03468c","","","0.71073","MoKα","","0.0572","0.0422","","","0.0985","0.1067","","","","","","1.053","","","","has coordinates,has disorder","196357","2020-10-21","18:00:00",""
"1544156","10.0179","0.0003","11.2774","0.0005","19.6359","0.0011","89.016","0.003","87.552","0.003","73.104","0.002","2120.66","0.17","223","2","223","2","","","","","","","","6","P -1","-P 1","2","","","","- C42 H35 B2 F20 O2 P -","- C42 H35 B2 F20 O2 P -","- C84 H70 B4 F40 O4 P2 -","2","1","","Liu, Yun-Lin; Kehr, Gerald; Daniliuc, Constantin G.; Erker, Gerhard","Geminal bis-borane formation by borane Lewis acid induced cyclopropyl rearrangement and its frustrated Lewis pair reaction with carbon dioxide.","Chemical science","2017","8","2","1097","1104","10.1039/c6sc03468c","","","0.71073","MoKα","","0.2388","0.1348","","","0.2279","0.2746","","","","","","1.086","","","","has coordinates","196357","2020-10-21","18:00:00",""
"1544158","12.469","0.003","17.723","0.004","15.596","0.004","90","","112.991","0.004","90","","3172.8","1.3","93","","93","","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C34 H33 F4 I N4 O -","- C34 H33 F4 I N4 O -","- C136 H132 F16 I4 N16 O4 -","4","1","","Maugeri, Leonardo; Jamieson, Ellen M. G.; Cordes, David B.; Slawin, Alexandra M. Z.; Philp, Douglas","pH controlled assembly of a self-complementary halogen-bonded dimer","Chem. Sci.","2017","8","2","938","","10.1039/C6SC03696A","","","0.71075","MoKα","","0.0589","0.0507","","","0.1227","0.1254","","","","","","0.954","","","","has coordinates","191516","2020-10-21","18:00:00",""
"1544159","8.4431","0.0006","11.7892","0.0012","31.416","0.003","90","","90","","90","","3127.1","0.5","173","","173","","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C32 H34 F4 I N3 O2 -","- C32 H34 F4 I N3 O2 -","- C128 H136 F16 I4 N12 O8 -","4","1","","Maugeri, Leonardo; Jamieson, Ellen M. G.; Cordes, David B.; Slawin, Alexandra M. Z.; Philp, Douglas","pH controlled assembly of a self-complementary halogen-bonded dimer","Chem. Sci.","2017","8","2","938","","10.1039/C6SC03696A","","","0.71075","MoKα","","0.0265","0.0245","","","0.0624","0.0634","","","","","","1.046","","","","has coordinates","191516","2020-10-21","18:00:00",""
"1544160","20.258","0.003","13.9884","0.0013","26.734","0.004","90","","103.187","0.01","90","","7376","1.7","173","","173","","","","","","","","","6","I 1 2/a 1","-I 2ya","15","","","","- C37 H42 F4 I N5 O -","- C37 H42 F4 I N5 O -","- C296 H336 F32 I8 N40 O8 -","8","1","","Maugeri, Leonardo; Jamieson, Ellen M. G.; Cordes, David B.; Slawin, Alexandra M. Z.; Philp, Douglas","pH controlled assembly of a self-complementary halogen-bonded dimer","Chem. Sci.","2017","8","2","938","","10.1039/C6SC03696A","","","0.71075","MoKα","","0.0695","0.0387","","","0.0761","0.0882","","","","","","1.028","","","","has coordinates,has disorder","191516","2020-10-21","18:00:00",""
"1544161","25.213","0.007","13.978","0.003","27.637","0.007","90","","112.879","0.004","90","","8974","4","125","","125","","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C29 H28 F4 I N3 O -","- C29 H28 F4 I N3 O -","- C348 H336 F48 I12 N36 O12 -","12","3","","Maugeri, Leonardo; Jamieson, Ellen M. G.; Cordes, David B.; Slawin, Alexandra M. Z.; Philp, Douglas","pH controlled assembly of a self-complementary halogen-bonded dimer","Chem. Sci.","2017","8","2","938","","10.1039/C6SC03696A","","","0.71075","MoKα","","0.1938","0.1077","","","0.2707","0.3145","","","","","","1.043","","","","has coordinates","191516","2020-10-21","18:00:00",""
"1544162","29.2891","0.0019","29.2891","0.0019","18.1917","0.0013","90","","90","","90","","15605.8","1.8","173","2","173","2","","","","","","","","5","I 41/a","-I 4ad","88","","","","- C29 H34 N2 O6 S -","- C29 H34 N2 O6 S -","- C464 H544 N32 O96 S16 -","16","","","Kong, A.; Mancheno, D. E.; Boudet, N.; Delgado, R.; Andreansky, E. S.; Blakey, S. B.","Total synthesis of malagashanine: a chloroquine potentiating indole alkaloid with unusual stereochemistry.","Chemical science","2017","8","1","697","700","10.1039/c6sc03578g","","","1.54178","CuKα","","0.1707","0.069","","","0.1637","0.219","","","","","","1.014","","","","has coordinates","196321","2020-10-21","18:00:00",""
"1544182","28.1117","0.0011","20.1279","0.0006","22.8674","0.001","90","","105.985","0.003","90","","12438.7","0.8","180.15","","180.15","","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C105 H192 Dy4 N12 O24 -","- C105 H192 Dy4 N12 O24 -","- C420 H768 Dy16 N48 O96 -","4","0.5","","Pineda, Eufemio Moreno; Lan, Yanhua; Fuhr, Olaf; Wernsdorfer, Wolfgang; Ruben, Mario","Exchange-bias quantum tunnelling in a CO2-based Dy4-single molecule magnet.","Chemical science","2017","8","2","1178","1185","10.1039/c6sc03184f","","x-ray","0.71073","MoKα","","0.0922","0.0723","","","0.187","0.2095","","","","","","1.002","","","","has coordinates,has disorder","196351","2020-10-21","18:00:00",""
"1544183","30.5846","0.0016","15.6055","0.0008","25.1965","0.0013","90","","129.98","0.002","90","","9215.1","0.9","100","","100","","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C100 H136 N6 P4 Ti2 -","- C100 H136 N6 P4 Ti2 -","- C400 H544 N24 P16 Ti8 -","4","0.5","","Grant, Lauren N.; Pinter, Balazs; Kurogi, Takashi; Carroll, Maria E.; Wu, Gang; Manor, Brian C.; Carroll, Patrick J.; Mindiola, Daniel J.","Molecular titanium nitrides: nucleophiles unleashed.","Chemical science","2017","8","2","1209","1224","10.1039/c6sc03422e","","","0.71073","MoKα","","0.1055","0.0646","","","0.1376","0.1563","","","","","","1.055","","","","has coordinates","288221","2023-12-11","22:20:44",""
"1544184","18.5929","0.0008","12.9042","0.0005","22.7421","0.0014","90","","98.499","0.002","90","","5396.5","0.5","100","","100","","","","","","","","","5","I 1 2/a 1","-I 2ya","15","","","","- C110 H176 N6 P6 Ti2 -","- C110 H176 N6 P6 Ti2 -","- C220 H352 N12 P12 Ti4 -","2","0.25","","Grant, Lauren N.; Pinter, Balazs; Kurogi, Takashi; Carroll, Maria E.; Wu, Gang; Manor, Brian C.; Carroll, Patrick J.; Mindiola, Daniel J.","Molecular titanium nitrides: nucleophiles unleashed.","Chemical science","2017","8","2","1209","1224","10.1039/c6sc03422e","","","0.71073","MoKα","","0.0748","0.0662","","","0.1786","0.189","","","","","","1.058","","","","has coordinates,has disorder","288221","2023-12-11","22:20:44",""
"1544185","30.336","0.002","12.1037","0.001","29.271","0.002","90","","118.588","0.004","90","","9437.3","1.2","100","","100","","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C47 H71 N3 P2 Si Ti -","- C47 H71 N3 P2 Si Ti -","- C376 H568 N24 P16 Si8 Ti8 -","8","2","","Grant, Lauren N.; Pinter, Balazs; Kurogi, Takashi; Carroll, Maria E.; Wu, Gang; Manor, Brian C.; Carroll, Patrick J.; Mindiola, Daniel J.","Molecular titanium nitrides: nucleophiles unleashed.","Chemical science","2017","8","2","1209","1224","10.1039/c6sc03422e","","","0.71073","MoKα","","0.0637","0.0506","","","0.1214","0.1276","","","","","","1.127","","","","has coordinates","288221","2023-12-11","22:20:44",""
"1544186","15.3708","0.001","12.8618","0.0008","23.2563","0.0015","90","","92.737","0.004","90","","4592.4","0.5","100","","100","","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C48 H72.8 N3 O P2 Ti -","- C44 H62.8 N3 P2 Ti -","- C176 H251.2 N12 P8 Ti4 -","4","1","","Grant, Lauren N.; Pinter, Balazs; Kurogi, Takashi; Carroll, Maria E.; Wu, Gang; Manor, Brian C.; Carroll, Patrick J.; Mindiola, Daniel J.","Molecular titanium nitrides: nucleophiles unleashed.","Chemical science","2017","8","2","1209","1224","10.1039/c6sc03422e","","","0.71073","MoKα","","0.0565","0.0418","","","0.0951","0.102","","","","","","1.037","","","","has coordinates,has disorder","288221","2023-12-11","22:20:44",""
"1544187","13.5295","0.0004","19.597","0.0006","16.8163","0.0005","90","","111.694","0.002","90","","4142.8","0.2","100","","100","","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C44 H62 N2 O P2 Ti -","- C44 H62 N2 O P2 Ti -","- C176 H248 N8 O4 P8 Ti4 -","4","1","","Grant, Lauren N.; Pinter, Balazs; Kurogi, Takashi; Carroll, Maria E.; Wu, Gang; Manor, Brian C.; Carroll, Patrick J.; Mindiola, Daniel J.","Molecular titanium nitrides: nucleophiles unleashed.","Chemical science","2017","8","2","1209","1224","10.1039/c6sc03422e","","","0.71073","MoKα","","0.0881","0.0582","","","0.1332","0.1504","","","","","","1.036","","","","has coordinates","288221","2023-12-11","22:20:44",""
"1544188","12.7371","0.0006","14.7015","0.0007","26.1005","0.0012","90","","90","","90","","4887.4","0.4","100","","100","","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C50 H77 N3 P2 Ti -","- C50 H77 N3 P2 Ti -","- C200 H308 N12 P8 Ti4 -","4","1","","Grant, Lauren N.; Pinter, Balazs; Kurogi, Takashi; Carroll, Maria E.; Wu, Gang; Manor, Brian C.; Carroll, Patrick J.; Mindiola, Daniel J.","Molecular titanium nitrides: nucleophiles unleashed.","Chemical science","2017","8","2","1209","1224","10.1039/c6sc03422e","","","0.71073","MoKα","","0.0647","0.0589","","","0.1456","0.1483","","","","","","1.142","","","","has coordinates","288221","2023-12-11","22:20:44",""
"1544196","8.5035","0.0002","7.1303","0.0002","23.6793","0.0006","90","","95.742","0.0012","90","","1428.53","0.06","100","2","99.77","","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C18 H17 N O2 -","- C18 H17 N O2 -","- C72 H68 N4 O8 -","4","1","","Semakul, Natthawat; Jackson, Kelvin E.; Paton, Robert S.; Rovis, Tomislav","Heptamethylindenyl (Ind*) enables diastereoselective benzamidation of cyclopropenes via Rh(iii)-catalyzed C-H activation.","Chemical science","2017","8","2","1015","1020","10.1039/c6sc02587k","","","0.71073","MoKα","","0.135","0.0685","","","0.1558","0.1811","","","","","","1.033","","","","has coordinates","196355","2020-10-21","18:00:00",""
"1544197","9.1646","0.0003","10.8129","0.0004","17.358","0.0008","86.495","0.006","85.651","0.006","84.191","0.006","1703.87","0.12","93","","93","","","","","","","","","7","P -1","-P 1","2","","","","- C34 H33 B2 F8 N5 O Pd -","- C34 H33 B2 F8 N5 O Pd -","- C68 H66 B4 F16 N10 O2 Pd2 -","2","1","","Adachi, Shinya; Kumagai, Naoya; Shibasaki, Masakatsu","Pyramidalization/twisting of the amide functional group via remote steric congestion triggered by metal coordination.","Chemical science","2017","8","1","85","90","10.1039/c6sc03669d","","","1.54187","CuKα","","0.1223","0.0954","","","0.2392","0.2774","","","","","","1.047","","","","has coordinates","196311","2020-10-21","18:00:00",""
"1544198","8.88787","0.00016","10.65997","0.00019","12.1038","0.0002","101.284","0.007","100.453","0.007","102.182","0.007","1069.19","0.07","93","","93","","","","","","","","","5","P -1","-P 1","2","","","","- C46 H42 N6 O2 Pd -","- C46 H42 N6 O2 Pd -","- C46 H42 N6 O2 Pd -","1","0.5","","Adachi, Shinya; Kumagai, Naoya; Shibasaki, Masakatsu","Pyramidalization/twisting of the amide functional group via remote steric congestion triggered by metal coordination.","Chemical science","2017","8","1","85","90","10.1039/c6sc03669d","","","1.54187","CuKα","","0.0617","0.0541","","","0.1382","0.1453","","","","","","1.15","","","","has coordinates","196311","2020-10-21","18:00:00",""
"1544199","13.2547","0.0002","14.2678","0.0003","15.5271","0.0003","95.506","0.007","93.223","0.007","105.522","0.007","2805.98","0.14","93","","93","","","","","","","","","7","P -1","-P 1","2","","","","- C60 H55 B2 F8 N6 O2 Pd -","- C60 H55 B2 F8 N6 O2 Pd -","- C120 H110 B4 F16 N12 O4 Pd2 -","2","1","","Adachi, Shinya; Kumagai, Naoya; Shibasaki, Masakatsu","Pyramidalization/twisting of the amide functional group via remote steric congestion triggered by metal coordination.","Chemical science","2017","8","1","85","90","10.1039/c6sc03669d","","","1.54187","CuKα","","0.111","0.0858","","","0.2357","0.2542","","","","","","1.112","","","","has coordinates","196311","2020-10-21","18:00:00",""
"1544200","11.3565","0.0002","11.5389","0.0002","15.0221","0.0003","90","","107.367","0.008","90","","1878.78","0.1","93","","93","","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C23 H21 N3 O -","- C23 H21 N3 O -","- C92 H84 N12 O4 -","4","1","","Adachi, Shinya; Kumagai, Naoya; Shibasaki, Masakatsu","Pyramidalization/twisting of the amide functional group via remote steric congestion triggered by metal coordination.","Chemical science","2017","8","1","85","90","10.1039/c6sc03669d","","","1.54187","CuKα","","0.0636","0.0575","","","0.1571","0.1613","","","","","","1.071","","","","has coordinates","196311","2020-10-21","18:00:00",""
"1544201","12.2208","0.0005","12.9781","0.0004","15.6515","0.0003","90.05","0.002","96.32","0.002","117.495","0.003","2184.84","0.13","93","","93","","","","","","","","","5","P -1","-P 1","2","","","","- C27 H20 F N3 O -","- C27 H20 F N3 O -","- C108 H80 F4 N12 O4 -","4","2","","Adachi, Shinya; Kumagai, Naoya; Shibasaki, Masakatsu","Pyramidalization/twisting of the amide functional group via remote steric congestion triggered by metal coordination.","Chemical science","2017","8","1","85","90","10.1039/c6sc03669d","","","1.54187","CuKα","","0.0398","0.0358","","","0.0996","0.102","","","","","","1.058","","","","has coordinates","214153","2020-10-21","18:00:00",""
"1544202","18.8592","0.0004","7.68843","0.00016","18.4442","0.0003","90","","114.263","0.008","90","","2438.14","0.17","93","","93","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C30 H27 N3 O -","- C30 H27 N3 O -","- C120 H108 N12 O4 -","4","1","","Adachi, Shinya; Kumagai, Naoya; Shibasaki, Masakatsu","Pyramidalization/twisting of the amide functional group via remote steric congestion triggered by metal coordination.","Chemical science","2017","8","1","85","90","10.1039/c6sc03669d","","","1.54187","CuKα","","0.1009","0.055","","","0.1637","0.1747","","","","","","1.047","","","","has coordinates","196311","2020-10-21","18:00:00",""
"1544203","10.7056","0.0003","16.7664","0.0004","18.6108","0.0005","97.072","0.007","99.663","0.007","102.242","0.007","3174.3","0.2","93","","93","","","","","","","","","6","P -1","-P 1","2","","","","- C54 H40 F2 N6 O2 Pd -","- C54 H40 F2 N6 O2 Pd -","- C108 H80 F4 N12 O4 Pd2 -","2","1","","Adachi, Shinya; Kumagai, Naoya; Shibasaki, Masakatsu","Pyramidalization/twisting of the amide functional group via remote steric congestion triggered by metal coordination.","Chemical science","2017","8","1","85","90","10.1039/c6sc03669d","","","1.54187","CuKα","","0.0797","0.0659","","","0.1948","0.2041","","","","","","1.117","","","","has coordinates","196311","2020-10-21","18:00:00",""
"1544204","15.7265","0.0003","20.4033","0.0004","21.0479","0.0003","82.8458","0.0015","82.6021","0.0016","69.0081","0.0018","6230.5","0.2","93","","93","","","","","","","","","7","P -1","-P 1","2","","","","- C57 H41.5 F8 N6.5 O8 S2 Zn -","- C57 H41.5 F8 N6.5 O8 S2 Zn -","- C228 H166 F32 N26 O32 S8 Zn4 -","4","2","","Adachi, Shinya; Kumagai, Naoya; Shibasaki, Masakatsu","Pyramidalization/twisting of the amide functional group via remote steric congestion triggered by metal coordination.","Chemical science","2017","8","1","85","90","10.1039/c6sc03669d","","","0.71073","MoKα","","0.0818","0.0721","","","0.1973","0.2052","","","","","","1.02","","","","has coordinates","196311","2020-10-21","18:00:00",""
"1544205","13.283","0.002","13.585","0.002","7.6811","0.0013","90","","90","","90","","1386.1","0.4","100","2","100","2","","","","","","","","4","P c a 21","P 2c -2ac","29","","","","- C17 H13 N3 O2 -","- C17 H13 N3 O2 -","- C68 H52 N12 O8 -","4","1","","Serra, Jordi; Parella, Teodor; Ribas, Xavi","Au(iii)-aryl intermediates in oxidant-free C‒N and C‒O cross-coupling catalysis","Chem. Sci.","2017","8","2","946","","10.1039/C6SC03699F","","","0.71073","MoKα","","0.0417","0.038","","","0.0873","0.0897","","","","","","1.091","","","","has coordinates","191524","2020-10-21","18:00:00",""
"1544206","10.4599","0.0018","13.687","0.002","10.111","0.0017","90","","116.27","0.003","90","","1298","0.4","100","2","100","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C13 H8 Au I2 N -","- C13 H8 Au I2 N -","- C52 H32 Au4 I8 N4 -","4","1","","Serra, Jordi; Parella, Teodor; Ribas, Xavi","Au(iii)-aryl intermediates in oxidant-free C‒N and C‒O cross-coupling catalysis","Chem. Sci.","2017","8","2","946","","10.1039/C6SC03699F","","","0.71073","MoKα","","0.0401","0.0341","","","0.0849","0.0878","","","","","","1.067","","","","has coordinates","191524","2020-10-21","18:00:00",""
"1544207","14.26","0.009","20.667","0.013","14.033","0.009","90","","104.38","0.01","90","","4006","4","100","2","100","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C18 H13 Au F6 I N2 Sb -","- C18 H13 Au F6 I N2 Sb -","- C144 H104 Au8 F48 I8 N16 Sb8 -","8","2","","Serra, Jordi; Parella, Teodor; Ribas, Xavi","Au(iii)-aryl intermediates in oxidant-free C‒N and C‒O cross-coupling catalysis","Chem. Sci.","2017","8","2","946","","10.1039/C6SC03699F","","","0.71073","MoKα","","0.0875","0.0598","","","0.1414","0.1587","","","","","","1.044","","","","has coordinates,has disorder","191524","2020-10-21","18:00:00",""
"1544209","10.6057","0.0011","13.3692","0.0018","14.5882","0.0017","80.422","0.01","78.548","0.011","70.256","0.009","1897","0.4","123","","123","","","","","","","","","4","P -1","-P 1","2","","","","- C99 H71 Cl3 N6 -","- C99 H71 Cl3 N6 -","- C99 H71 Cl3 N6 -","1","0.5","","Park, In Seob; Komiyama, Hideaki; Yasuda, Takuma","Pyrimidine-based twisted donor-acceptor delayed fluorescence molecules: a new universal platform for highly efficient blue electroluminescence.","Chemical science","2017","8","2","953","960","10.1039/c6sc03793c","","","0.71075","MoKα","","0.0927","0.0731","","","0.1727","0.1862","","","","","","1.071","","","","has coordinates","196347","2020-10-21","18:00:00",""
"1544210","10.857","0.002","15.141","0.003","17.359","0.003","108.566","0.004","96.63","0.004","96.91","0.004","2649.3","0.9","293","2","293","2","","","","","","","","6","P -1","-P 1","2","","","","- C42 H22 F14 N2 Na O7 -","- C42 H22 F14 N2 Na O7 -","- C84 H44 F28 N4 Na2 O14 -","2","1","","Shang, Ming; Shao, Qian; Sun, Shang-Zheng; Chen, Yan-Qiao; Xu, Hui; Dai, Hui-Xiong; Yu, Jin-Quan","Identification of monodentate oxazoline as a ligand for copper-promoted ortho-C‒H hydroxylation and amination","Chem. Sci.","2017","8","2","1469","","10.1039/C6SC03383K","","","0.71073","MoKα","","0.1361","0.0695","","","0.1813","0.2064","","","","","","0.872","","","","has coordinates,has disorder","191515","2020-10-21","18:00:00",""
"1544211","7.5465","0.0013","7.9565","0.0014","22.733","0.004","84.375","0.004","89.317","0.004","72.275","0.004","1293.7","0.4","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C14 H5 F6 N O2 -","- C14 H5 F6 N O2 -","- C56 H20 F24 N4 O8 -","4","2","","Shang, Ming; Shao, Qian; Sun, Shang-Zheng; Chen, Yan-Qiao; Xu, Hui; Dai, Hui-Xiong; Yu, Jin-Quan","Identification of monodentate oxazoline as a ligand for copper-promoted ortho-C‒H hydroxylation and amination","Chem. Sci.","2017","8","2","1469","","10.1039/C6SC03383K","","","0.71073","MoKα","","0.0942","0.0673","","","0.1822","0.2054","","","","","","1.035","","","","has coordinates,has disorder","191515","2020-10-21","18:00:00",""
"1544221","12.6607","0.0006","15.4354","0.0007","16.1838","0.0009","101.482","0.003","112.975","0.002","93.732","0.002","2817.6","0.3","123","2","123","2","","","","","","","","5","P -1","-P 1","2","","PyrCu(II)-nitrophenoxide","","- C57 H87 Cu N5 O6 -","- C57 H87 Cu N5 O6 -","- C114 H174 Cu2 N10 O12 -","2","1","","Dhar, Debanjan; Yee, Gereon M.; Markle, Todd F.; Mayer, James M.; Tolman, William B.","Reactivity of the copper(iii)-hydroxide unit with phenols","Chem. Sci.","2017","8","2","1075","","10.1039/C6SC03039D","","","1.54178","CuKα","","0.0478","0.0408","","","0.0983","0.1036","","","","","","1.025","","","","has coordinates","191504","2020-10-21","18:00:00",""
"1544232","6.848","0.0001","20.4301","0.0003","17.057","0.0002","90","","90.304","0.0011","90","","2386.33","0.06","150","","150","","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C25 H20 F3 N3 O4 S2 -","- C25 H20 F3 N3 O4 S2 -","- C100 H80 F12 N12 O16 S8 -","4","1","","Ricci, Paolo; Khotavivattana, Tanatorn; Pfeifer, Lukas; Médebielle, Maurice; Morphy, John Richard; Gouverneur, Véronique","The dual role of thiourea in the thiotrifluoromethylation of alkenes.","Chemical science","2017","8","2","1195","1199","10.1039/c6sc02790c","","","1.5418","CuKα","","0.0326","0.0313","","0.0824","0.0812","0.0824","","","","","","0.9995","","","","has coordinates","196345","2020-10-21","18:00:00",""
"1544233","7.4653","0.0002","9.9343","0.0004","17.6618","0.0005","89.239","0.003","85.681","0.002","72.865","0.003","1248.09","0.07","150","","150","","","","","","","","","6","P -1","-P 1","2","","","","- C26 H22 F3 N3 O4 S2 -","- C26 H22 F3 N3 O4 S2 -","- C52 H44 F6 N6 O8 S4 -","2","1","","Ricci, Paolo; Khotavivattana, Tanatorn; Pfeifer, Lukas; Médebielle, Maurice; Morphy, John Richard; Gouverneur, Véronique","The dual role of thiourea in the thiotrifluoromethylation of alkenes.","Chemical science","2017","8","2","1195","1199","10.1039/c6sc02790c","","","1.5418","CuKα","","0.0363","0.0358","","0.0978","0.097","0.0978","","","","","","1.0039","","","","has coordinates","196345","2020-10-21","18:00:00",""
"1544234","15.2695","0.0004","5.9545","0.0002","19.0281","0.0007","90","","91.54","0.003","90","","1729.45","0.1","150","","150","","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C18 H17 F3 N2 O S -","- C18 H17 F3 N2 O S -","- C72 H68 F12 N8 O4 S4 -","4","1","","Ricci, Paolo; Khotavivattana, Tanatorn; Pfeifer, Lukas; Médebielle, Maurice; Morphy, John Richard; Gouverneur, Véronique","The dual role of thiourea in the thiotrifluoromethylation of alkenes.","Chemical science","2017","8","2","1195","1199","10.1039/c6sc02790c","","","1.5418","CuKα","","0.1033","0.0976","","0.2648","0.258","0.2648","","","","","","0.9831","","","","has coordinates,has disorder","196345","2020-10-21","18:00:00",""
"1544235","6.05221","0.00008","17.0223","0.0003","19.5981","0.0003","90","","90","","90","","2019.05","0.05","217.05","0.1","217.05","0.1","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C22 H25 N O3 -","- C22 H25 N O3 -","- C88 H100 N4 O12 -","4","1","","Lian, Xiangjin; Lin, Lili; Fu, Kai; Ma, Baiwei; Liu, Xiaohua; Feng, Xiaoming","A new approach to the asymmetric Mannich reaction catalyzed by chiral N,N'-dioxide-metal complexes.","Chemical science","2017","8","2","1238","1242","10.1039/c6sc03902b","","x-ray","1.54184","CuKα","","0.0546","0.0524","","","0.1425","0.147","","","","","","1.045","","","","has coordinates","196344","2020-10-21","18:00:00",""
"1544236","9.20362","0.00017","10.9688","0.0003","19.3712","0.0004","90","","100.345","0.002","90","","1923.79","0.08","295.1","0.5","295.1","0.5","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C22 H26 N2 O2 -","- C22 H26 N2 O2 -","- C88 H104 N8 O8 -","4","2","","Lian, Xiangjin; Lin, Lili; Fu, Kai; Ma, Baiwei; Liu, Xiaohua; Feng, Xiaoming","A new approach to the asymmetric Mannich reaction catalyzed by chiral N,N'-dioxide-metal complexes.","Chemical science","2017","8","2","1238","1242","10.1039/c6sc03902b","","x-ray","1.54184","CuKα","","0.0558","0.0532","","","0.1488","0.1523","","","","","","1.043","","","","has coordinates","214153","2020-10-21","18:00:00",""
"1544237","19.3566","0.0003","15.6297","0.0002","20.726","0.0003","90","","90","","90","","6270.4","0.16","180","2","180","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C64 H102 Dy2 O8 -","- C64 H102 Dy2 O8 -","- C256 H408 Dy8 O32 -","4","0.5","","Xiong, Jin; Ding, Hai-Yan; Meng, Yin-Shan; Gao, Chen; Zhang, Xue-Jing; Meng, Zhao-Sha; Zhang, Yi-Quan; Shi, Wei; Wang, Bing-Wu; Gao, Song","Hydroxide-bridged five-coordinate Dy(III) single-molecule magnet exhibiting the record thermal relaxation barrier of magnetization among lanthanide-only dimers.","Chemical science","2017","8","2","1288","1294","10.1039/c6sc03621j","","","0.71073","MoKα","","0.0385","0.0252","","","0.0539","0.0616","","","","","","1.142","","","","has coordinates","196356","2020-10-21","18:00:00",""
"1544238","19.3525","0.0005","15.6285","0.0003","20.6896","0.0005","90","","90","","90","","6257.6","0.3","180","2","180","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C64 H102 O8 Y2 -","- C64 H102 O8 Y2 -","- C256 H408 O32 Y8 -","4","0.5","","Xiong, Jin; Ding, Hai-Yan; Meng, Yin-Shan; Gao, Chen; Zhang, Xue-Jing; Meng, Zhao-Sha; Zhang, Yi-Quan; Shi, Wei; Wang, Bing-Wu; Gao, Song","Hydroxide-bridged five-coordinate Dy(III) single-molecule magnet exhibiting the record thermal relaxation barrier of magnetization among lanthanide-only dimers.","Chemical science","2017","8","2","1288","1294","10.1039/c6sc03621j","","","0.71073","MoKα","","0.0696","0.0373","","","0.0735","0.0831","","","","","","1.026","","","","has coordinates","196356","2020-10-21","18:00:00",""
"1544239","19.3419","0.0003","15.68151","0.00018","20.772","0.0003","90","","90","","90","","6300.36","0.15","180","2","180","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C64 H102 Gd2 O8 -","- C64 H102 Gd2 O8 -","- C256 H408 Gd8 O32 -","4","0.5","","Xiong, Jin; Ding, Hai-Yan; Meng, Yin-Shan; Gao, Chen; Zhang, Xue-Jing; Meng, Zhao-Sha; Zhang, Yi-Quan; Shi, Wei; Wang, Bing-Wu; Gao, Song","Hydroxide-bridged five-coordinate Dy(III) single-molecule magnet exhibiting the record thermal relaxation barrier of magnetization among lanthanide-only dimers.","Chemical science","2017","8","2","1288","1294","10.1039/c6sc03621j","","","0.71073","MoKα","","0.0373","0.0237","","","0.0471","0.0535","","","","","","1.138","","","","has coordinates","196356","2020-10-21","18:00:00",""
"1544247","14.7815","0.0005","9.0701","0.0003","21.2106","0.0008","90","","106.718","0.004","90","","2723.5","0.17","173","2","173","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","HOFTPE3N","","","- C26 H17 N3 O6 -","- C26 H17 N3 O6 -","- C104 H68 N12 O24 -","4","1","","Yu, Tao; Ou, Depei; Yang, Zhiyong; Huang, Qiuyi; Mao, Zhu; Chen, Junru; Zhang, Yi; Liu, Siwei; Xu, Jiarui; Bryce, Martin R.; Chi, Zhenguo","The HOF structures of nitrotetraphenylethene derivatives provide new insights into the nature of AIE and a way to design mechanoluminescent materials","Chem. Sci.","2017","8","2","1163","","10.1039/C6SC03177C","","","1.54184","CuKα","","0.0707","0.0572","","","0.1601","0.1729","","","","","","1.073","","","","has coordinates","191501","2020-10-21","18:00:00",""
"1544248","19.9155","0.0002","19.9155","0.0002","13.4286","0.0002","90","","90","","90","","5326.15","0.11","173","2","173","2","","","","","","","","4","P 42/n","-P 4bc","86","HOFTPE4N","","","- C26 H16 N4 O8 -","- C26 H16 N4 O8 -","- C208 H128 N32 O64 -","8","","","Yu, Tao; Ou, Depei; Yang, Zhiyong; Huang, Qiuyi; Mao, Zhu; Chen, Junru; Zhang, Yi; Liu, Siwei; Xu, Jiarui; Bryce, Martin R.; Chi, Zhenguo","The HOF structures of nitrotetraphenylethene derivatives provide new insights into the nature of AIE and a way to design mechanoluminescent materials","Chem. Sci.","2017","8","2","1163","","10.1039/C6SC03177C","","","1.54178","CuKα","","0.0644","0.0528","","","0.147","0.1594","","","","","","1.06","","","","has coordinates","191501","2020-10-21","18:00:00",""
"1544249","10.52308","0.00018","8.79827","0.00018","22.9441","0.0004","90","","95.4899","0.0016","90","","2114.53","0.07","293","2","293","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C26 H18 N2 O4 -","- C26 H18 N2 O4 -","- C104 H72 N8 O16 -","4","1","","Yu, Tao; Ou, Depei; Yang, Zhiyong; Huang, Qiuyi; Mao, Zhu; Chen, Junru; Zhang, Yi; Liu, Siwei; Xu, Jiarui; Bryce, Martin R.; Chi, Zhenguo","The HOF structures of nitrotetraphenylethene derivatives provide new insights into the nature of AIE and a way to design mechanoluminescent materials","Chem. Sci.","2017","8","2","1163","","10.1039/C6SC03177C","","","1.54184","CuKα","","0.0458","0.0411","","","0.1123","0.1161","","","","","","1.063","","","","has coordinates","191501","2020-10-21","18:00:00",""
"1544257","23.272","0.004","9.7485","0.0017","37.173","0.006","90","","94.149","0.002","90","","8411","2","150","2","150","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C37 H59 Na O6 Si4 -","- C37 H59 Na O6 Si4 -","- C296 H472 Na8 O48 Si32 -","8","1","","Li, H.; Aquino, A. J. A.; Cordes, D. B.; Hase, W. L.; Krempner, C.","Electronic nature of zwitterionic alkali metal methanides, silanides and germanides - a combined experimental and computational approach.","Chemical science","2017","8","2","1316","1328","10.1039/c6sc02390h","","","0.71073","MoKα","","0.0779","0.0465","","","0.1045","0.1178","","","","","","1.035","","","","has coordinates","196350","2020-10-21","18:00:00",""
"1544258","9.531","0.005","17.403","0.008","15.039","0.007","90","","90.873","0.006","90","","2494","2","150","2","150","2","","","","","","","","5","C 1 c 1","C -2yc","9","","","","- C16 H39 Li O6 Si3 -","- C16 H39 Li O6 Si3 -","- C64 H156 Li4 O24 Si12 -","4","1","","Li, H.; Aquino, A. J. A.; Cordes, D. B.; Hase, W. L.; Krempner, C.","Electronic nature of zwitterionic alkali metal methanides, silanides and germanides - a combined experimental and computational approach.","Chemical science","2017","8","2","1316","1328","10.1039/c6sc02390h","","","0.71073","MoKα","","0.2205","0.0762","","","0.1172","0.1585","","","","","","0.949","","","","has coordinates","196350","2020-10-21","18:00:00",""
"1544259","15.729","0.002","9.9209","0.0013","17.212","0.002","90","","90.3515","0.0014","90","","2685.8","0.6","150","2","150","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C15 H39 Ge Na O6 Si3 -","- C15 H39 Ge Na O6 Si3 -","- C60 H156 Ge4 Na4 O24 Si12 -","4","1","","Li, H.; Aquino, A. J. A.; Cordes, D. B.; Hase, W. L.; Krempner, C.","Electronic nature of zwitterionic alkali metal methanides, silanides and germanides - a combined experimental and computational approach.","Chemical science","2017","8","2","1316","1328","10.1039/c6sc02390h","","","0.71073","MoKα","","0.0369","0.0266","","","0.0645","0.0682","","","","","","1.035","","","","has coordinates","196350","2020-10-21","18:00:00",""
"1544260","8.141","0.002","19.245","0.006","16.727","0.005","90","","90.528","0.004","90","","2620.6","1.3","100","2","100","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C15 H39 Ge K O6 Si3 -","- C15 H39 Ge K O6 Si3 -","- C60 H156 Ge4 K4 O24 Si12 -","4","1","","Li, H.; Aquino, A. J. A.; Cordes, D. B.; Hase, W. L.; Krempner, C.","Electronic nature of zwitterionic alkali metal methanides, silanides and germanides - a combined experimental and computational approach.","Chemical science","2017","8","2","1316","1328","10.1039/c6sc02390h","","","0.71073","MoKα","","0.1094","0.096","","","0.2123","0.2175","","","","","","1.279","","","","has coordinates","196350","2020-10-21","18:00:00",""
"1544261","8.698","0.006","18.417","0.012","16.289","0.011","90","","90.2","0.01","90","","2609","3","100","2","100","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C16 H39 K O6 Si3 -","- C16 H39 K O6 Si3 -","- C64 H156 K4 O24 Si12 -","4","1","","Li, H.; Aquino, A. J. A.; Cordes, D. B.; Hase, W. L.; Krempner, C.","Electronic nature of zwitterionic alkali metal methanides, silanides and germanides - a combined experimental and computational approach.","Chemical science","2017","8","2","1316","1328","10.1039/c6sc02390h","","","0.71073","MoKα","","0.1153","0.0699","","","0.1627","0.1863","","","","","","0.936","","","","has coordinates","196350","2020-10-21","18:00:00",""
"1544262","5.2167","0.0007","10.4562","0.0012","18.815","0.003","90","","90","","90","","1026.3","0.2","296","2","296","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C13 H10 N2 O2 -","- C13 H10 N2 O2 -","- C52 H40 N8 O8 -","4","1","","Xu, Pan; Wang, Guoqiang; Wu, Zhongkai; li, Shuhua; Zhu, Chengjian","Rh(iii)-catalyzed double C‒H activation of aldehyde hydrazones: a route for functionalized 1H-indazole synthesis","Chem. Sci.","2017","8","2","1303","","10.1039/C6SC03888C","","","0.71073","MoKα","","0.0379","0.035","","","0.0828","0.0838","","","","","","1.146","","","","has coordinates","191528","2020-10-21","18:00:00",""
"1544263","14.5175","0.0002","14.5175","0.0002","14.5175","0.0002","90","","90","","90","","3059.68","0.07","","","","","","","","","","","","3","F d -3 m :2","-F 4vw 2vw 3","227","","","","- Al20 Er V2 -","- Al20 Er V2 -","- Al160 Er8 V16 -","8","0.0416667","","Winiarski, M.J.; Klimczuk, T.","Crystal structure and low-energy Einstein mode in ErV2Al20 intermetallic cage compound","Journal of Solid State Chemistry","2017","245","","10","16","10.1016/j.jssc.2016.09.029","","","","","","0.108","","","","","","","","","","","","","","","has coordinates","187228","2020-10-21","18:00:00",""
"1544277","10.0682","0.0002","13.5159","0.0002","14.7514","0.0002","90","","92.352","0.001","90","","2005.69","0.06","100","2","100","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C17 H31 I O P2 -","- C17 H31 I O P2 -","- C68 H124 I4 O4 P8 -","4","1","","Knopf, Ioana; Tofan, Daniel; Beetstra, Dirk; Al-Nezari, Abdulaziz; Al-Bahily, Khalid; Cummins, Christopher C.","A family of cis-macrocyclic diphosphines: modular, stereoselective synthesis and application in catalytic CO2/ethylene coupling","Chem. Sci.","2017","8","2","1463","","10.1039/C6SC03614G","","","1.54178","CuKα","","0.0465","0.0395","","","0.1013","0.1071","","","","","","1.078","","","","has coordinates,has disorder","191523","2020-10-21","18:00:00",""
"1544278","8.4848","0.0002","12.9532","0.0003","14.0671","0.0003","90","","105.04","0.001","90","","1493.09","0.06","100","2","100","2","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","","","- C14 H26 P2 -","- C14 H26 P2 -","- C56 H104 P8 -","4","1","","Knopf, Ioana; Tofan, Daniel; Beetstra, Dirk; Al-Nezari, Abdulaziz; Al-Bahily, Khalid; Cummins, Christopher C.","A family of cis-macrocyclic diphosphines: modular, stereoselective synthesis and application in catalytic CO2/ethylene coupling","Chem. Sci.","2017","8","2","1463","","10.1039/C6SC03614G","","","1.54178","CuKα","","0.0421","0.0381","","","0.1018","0.1067","","","","","","1.074","","","","has coordinates","191523","2020-10-21","18:00:00",""
"1544279","23.5655","0.0016","10.2998","0.0007","20.9628","0.0014","90","","98.051","0.002","90","","5037.9","0.6","100","2","100","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C14 H22 Cl6 I2 P2 -","- C14 H22 Cl6 I2 P2 -","- C112 H176 Cl48 I16 P16 -","8","1","","Knopf, Ioana; Tofan, Daniel; Beetstra, Dirk; Al-Nezari, Abdulaziz; Al-Bahily, Khalid; Cummins, Christopher C.","A family of cis-macrocyclic diphosphines: modular, stereoselective synthesis and application in catalytic CO2/ethylene coupling","Chem. Sci.","2017","8","2","1463","","10.1039/C6SC03614G","","","0.71073","MoKα","","0.0248","0.0204","","","0.0482","0.0503","","","","","","1.046","","","","has coordinates,has disorder","191523","2020-10-21","18:00:00",""
"1544280","9.6408","0.0009","12.6202","0.0012","22.256","0.002","90","","90","","90","","2707.9","0.4","100","2","100","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C27 H46 Ni O2 P2 -","- C27 H46 Ni O2 P2 -","- C108 H184 Ni4 O8 P8 -","4","1","","Knopf, Ioana; Tofan, Daniel; Beetstra, Dirk; Al-Nezari, Abdulaziz; Al-Bahily, Khalid; Cummins, Christopher C.","A family of cis-macrocyclic diphosphines: modular, stereoselective synthesis and application in catalytic CO2/ethylene coupling","Chem. Sci.","2017","8","2","1463","","10.1039/C6SC03614G","","","0.71073","MoKα","","0.061","0.0477","","","0.1111","0.1182","","","","","","1.01","","","","has coordinates","191523","2020-10-21","18:00:00",""
"1544285","9.3816","0.0004","6.7781","0.0003","16.9307","0.0006","90","","99.5145","0.0011","90","","1061.8","0.08","100","2","100","2","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","","","- C14 H10 N4 -","- C14 H10 N4 -","- C56 H40 N16 -","4","1","","Jash, Biswarup; Scharf, Philipp; Sandmann, Nikolas; Fonseca Guerra, Célia; Megger, Dominik A.; Müller, Jens","A metal-mediated base pair that discriminates between the canonical pyrimidine nucleobases.","Chemical science","2017","8","2","1337","1343","10.1039/c6sc03482a","","","0.71073","MoKα","","0.0617","0.047","","","0.1287","0.1397","","","","","","1.044","","","","has coordinates","196349","2020-10-21","18:00:00",""
"1544287","10.4706","0.0012","22.65","0.003","19.939","0.002","90","","98.7248","0.0016","90","","4674","0.9","123","2","123","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C50 H86 P3 Rh -","- C50 H86 P3 Rh -","- C200 H344 P12 Rh4 -","4","1","","Suga, Takuya; Saitou, Takanobu; Takaya, Jun; Iwasawa, Nobuharu","Mechanistic study of the rhodium-catalyzed carboxylation of simple aromatic compounds with carbon dioxide","Chem. Sci.","2017","8","2","1454","","10.1039/C6SC03838G","","","0.71075","MoKα","","0.0693","0.0567","","","0.1364","0.1462","","","","","","1.074","","","","has coordinates","191514","2020-10-21","18:00:00",""
"1544314","8.4616","0.0004","11.5086","0.0005","12.4957","0.0006","83.427","0.001","77.321","0.001","83.71","0.001","1174.89","0.09","296","2","296","2","","","","","","","","5","P -1","-P 1","2","","BzPPh(O)-DTE","","- C26 H23 O P S2 -","- C26 H23 O P S2 -","- C52 H46 O2 P2 S4 -","2","1","","Wu, Nathan Man-Wai; Wong, Hok-Lai; Yam, Vivian Wing-Wah","Photochromic benzo[b]phosphole oxide with excellent thermal irreversibility and fatigue resistance in the thin film solid state via direct attachment of dithienyl units to the weakly aromatic heterocycle","Chem. Sci.","2017","8","2","1309","","10.1039/C6SC02928K","","","0.71073","MoKα","","0.0557","0.0443","","","0.1143","0.1232","","","","","","1.025","","","","has coordinates","191511","2020-10-21","18:00:00",""
"1544315","5.7992","0.0005","11.4342","0.0009","24.017","0.002","90","","90","","90","","1592.5","0.2","123","","123","","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C20 H19 Fe N O -","- C20 H19 Fe N O -","- C80 H76 Fe4 N4 O4 -","4","1","","Yang, Lei; Melot, Romain; Neuburger, Markus; Baudoin, Olivier","Palladium(0)-catalyzed asymmetric C(sp(3))-H arylation using a chiral binol-derived phosphate and an achiral ligand.","Chemical science","2017","8","2","1344","1349","10.1039/c6sc04006c","","","1.34143","GaKα","","0.0496","0.0428","","0.0542","0.0511","0.0498","","","","","","1.0725","","","","has coordinates","196348","2020-10-21","18:00:00",""
"1544316","9.7138","0.0005","9.7138","0.0005","33.882","0.002","90","","90","","120","","2768.7","0.3","123","","123","","","","","","","","","5","P 32","P 32","145","","","","- C22 H21 Fe N O3 -","- C22 H21 Fe N O3 -","- C132 H126 Fe6 N6 O18 -","6","2","","Yang, Lei; Melot, Romain; Neuburger, Markus; Baudoin, Olivier","Palladium(0)-catalyzed asymmetric C(sp(3))-H arylation using a chiral binol-derived phosphate and an achiral ligand.","Chemical science","2017","8","2","1344","1349","10.1039/c6sc04006c","","","1.34143","GaKα","","0.0399","0.0357","","0.0444","0.0391","0.0402","","","","","","1.075","","","","has coordinates","196348","2020-10-21","18:00:00",""
"1544356","9.091","0.0003","18.1061","0.0007","20.6924","0.0007","90","","90","","90","","3406","0.2","110","2","110.15","","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C33 H46 Br N O5 Si -","- C33 H46 Br N O5 Si -","- C132 H184 Br4 N4 O20 Si4 -","4","1","","Abbasov, Mikail E.; Hudson, Brandi M.; Tantillo, Dean J.; Romo, Daniel","Stereodivergent, Diels‒Alder-initiated organocascades employing α,β-unsaturated acylammonium salts: scope, mechanism, and application","Chem. Sci.","2017","8","2","1511","","10.1039/C6SC04273B","","","1.54178","CuKα","","0.0423","0.0328","","","0.0707","0.0774","","","","","","1.126","","","","has coordinates","191510","2020-10-21","18:00:00",""
"1544357","8.8396","0.0003","17.5572","0.0007","11.6494","0.0004","90","","94.347","0.002","90","","1802.77","0.11","100","2","100","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C18 H21 Br N2 O3 -","- C18 H21 Br N2 O3 -","- C72 H84 Br4 N8 O12 -","4","2","","Sadhukhan, Arghya; Hobbs, Melanie C.; Meijer, Anthony J. H. M.; Coldham, Iain","Highly enantioselective metallation‒substitution alpha to a chiral nitrile","Chem. Sci.","2017","8","2","1436","","10.1039/C6SC03712G","","","1.54178","CuKα","","0.1283","0.0825","","","0.2026","0.2326","","","","","","1.022","","","","has coordinates","191521","2020-10-21","18:00:00",""
"1544369","11.727","0.002","11.727","","20.29","0.003","90","","90","","120","","2416.5","0.5","127","2","127","2","","","","","","","","8","P -3","-P 3","147","","","","- C60 H72 Br2 F48 I6 K2 N4 O12 -","- C59.964 H72 Br2 F48 I6 K2 N4 O12 -","- C59.964 H72 Br2 F48 I6 K2 N4 O12 -","1","0.166667","","Kumar, Vijith; Pilati, Tullio; Terraneo, Giancarlo; Meyer, Franck; Metrangolo, Pierangelo; Resnati, Giuseppe","Halogen bonded Borromean networks by design: topology invariance and metric tuning in a library of multi-component systems","Chem. Sci.","2017","8","3","1801","","10.1039/C6SC04478F","","","0.71073","MoKα","","0.0419","0.0337","","","0.0887","0.0903","","","","","","1.099","","","","has coordinates,has disorder","193741","2020-10-21","18:00:00",""
"1544385","35.1845","0.0011","14.8561","0.0002","31.0855","0.0008","90","","101.739","0.003","90","","15908.7","0.7","100","0.1","100","0.1","","","","","","","","8","C 1 2 1","C 2y","5","","","","- C114.7 H129.68 Br0.47 Cl3.14 I12 N24 O0.93 Zn6 -","- C114.69 H129.66 Br0.465 Cl3.141 I12 N24 O0.93 Zn6 -","- C458.76 H518.64 Br1.86 Cl12.564 I48 N96 O3.72 Zn24 -","4","1","","Lee, Shoukou; Hoshino, Manabu; Fujita, Makoto; Urban, Sylvia","Cycloelatanene A and B: absolute configuration determination and structural revision by the crystalline sponge method","Chem. Sci.","2017","8","2","1547","","10.1039/C6SC04288K","","x-ray","1.54184","CuKα","","0.0762","0.0542","","","0.165","0.1894","","","","","","1.027","","","","has coordinates,has disorder","191509","2020-10-21","18:00:00",""
"1544386","35.2593","0.0005","14.8434","0.0001","31.0697","0.0004","90","","101.611","0.001","90","","15928.1","0.3","93","2","93","2","","","","","","","","8","C 1 2 1","C 2y","5","","Cycloelatanene B with ZnI2-TPT crystalline sponge","","- C118.68 H134.52 Br0.86 Cl0.86 I12 N24 O1.71 Zn6 -","- C118.68 H134.52 Br0.8549 Cl0.8549 I12 N24 O1.7098 Zn6 -","- C474.718 H538.08 Br3.4196 Cl3.4196 I48 N96 O6.8392 Zn24 -","4","1","","Lee, Shoukou; Hoshino, Manabu; Fujita, Makoto; Urban, Sylvia","Cycloelatanene A and B: absolute configuration determination and structural revision by the crystalline sponge method","Chem. Sci.","2017","8","2","1547","","10.1039/C6SC04288K","","","0.71073","MoKα","","0.0435","0.034","","","0.0937","0.0997","","","","","","1.034","","","","has coordinates,has disorder","191509","2020-10-21","18:00:00",""
"1544404","24.5647","0.0002","8.4279","0.0001","16.8859","0.0001","90","","91.172","0.001","90","","3495.14","0.05","120","2","119.96","0.13","","","","","","","","7","C 1 c 1","C -2yc","9","","","","- C37 H36 Cl F5 N4 O2 U -","- C37 H36 Cl F5 N4 O2 U -","- C148 H144 Cl4 F20 N16 O8 U4 -","4","1","","Pankhurst, James R.; Bell, Nicola L.; Zegke, Markus; Platts, Lucy N.; Lamfsus, Carlos Alvarez; Maron, Laurent; Natrajan, Louise S.; Sproules, Stephen; Arnold, Polly L.; Love, Jason B.","Inner-sphere vs. outer-sphere reduction of uranyl supported by a redox-active, donor-expanded dipyrrin.","Chemical science","2017","8","1","108","116","10.1039/c6sc02912d","","","1.54184","CuKα","","0.0273","0.027","","","0.0677","0.068","","","","","","1.038","","","","has coordinates","196309","2020-10-21","18:00:00",""
"1544405","14.486","0.005","30.377","0.005","12.092","0.005","90","0.005","107.081","0.005","90","0.005","5086","3","120","2","120","2","","","","","","","","8","P 1 21/c 1","-P 2ybc","14","","","","- C51 H50 Cl3 F5 N4 O2 Ti2 U -","- C51 H50 Cl3 F5 N4 O2 Ti2 U -","- C204 H200 Cl12 F20 N16 O8 Ti8 U4 -","4","1","","Pankhurst, James R.; Bell, Nicola L.; Zegke, Markus; Platts, Lucy N.; Lamfsus, Carlos Alvarez; Maron, Laurent; Natrajan, Louise S.; Sproules, Stephen; Arnold, Polly L.; Love, Jason B.","Inner-sphere vs. outer-sphere reduction of uranyl supported by a redox-active, donor-expanded dipyrrin.","Chemical science","2017","8","1","108","116","10.1039/c6sc02912d","","","1.54184","CuKα","","0.0843","0.0561","","","0.101","0.1115","","","","","","1.063","","","","has coordinates","196309","2020-10-21","18:00:00",""
"1544406","16.0945","0.0002","28.2241","0.0004","19.2594","0.0003","90","","105.247","0.002","90","","8440.7","0.2","170","","170","","","","","","","","","8","P 1 21/c 1","-P 2ybc","14","","","","- C37 H38 Cl Co F5 N4 O2.5 U -","- C37 H38 Cl Co F5 N4 O2.5 U -","- C296 H304 Cl8 Co8 F40 N32 O20 U8 -","8","2","","Pankhurst, James R.; Bell, Nicola L.; Zegke, Markus; Platts, Lucy N.; Lamfsus, Carlos Alvarez; Maron, Laurent; Natrajan, Louise S.; Sproules, Stephen; Arnold, Polly L.; Love, Jason B.","Inner-sphere vs. outer-sphere reduction of uranyl supported by a redox-active, donor-expanded dipyrrin.","Chemical science","2017","8","1","108","116","10.1039/c6sc02912d","","x-ray","0.71073","MoKα","","0.0451","0.0334","","","0.0711","0.0757","","","","","","1.069","","","","has coordinates","214153","2020-10-21","18:00:00",""
"1544443","9.6533","0.0002","13.2733","0.0003","15.1062","0.0003","90","","90.485","0.002","90","","1935.51","0.07","293","2","293","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","SHB2t","","- C24 H16 O2 S2 -","- C24 H16 O2 S2 -","- C96 H64 O8 S8 -","4","1","","Xu, Bingjia; Wu, Haozhong; Chen, Junru; Yang, Zhan; Yang, Zhiyong; Wu, Yuan-Chun; Zhang, Yi; Jin, Chongjun; Lu, Po-Yen; Chi, Zhenguo; Liu, Siwei; Xu, Jiarui; Aldred, Matthew","White-light emission from a single heavy atom-free molecule with room temperature phosphorescence, mechanochromism and thermochromism","Chem. Sci.","2017","8","3","1909","","10.1039/C6SC03038F","","","1.54178","CuKα","","0.0467","0.0374","","","0.0987","0.106","","","","","","1.044","","","","has coordinates","193734","2020-10-21","18:00:00",""
"1544444","9.3865","0.0003","12.1945","0.0003","26.4154","0.0006","90","","94.268","0.002","90","","3015.22","0.14","294.83","0.1","294.83","0.1","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","SDB2t","","- C37 H24 Cl2 O2 S3 -","- C37 H24 Cl2 O2 S3 -","- C148 H96 Cl8 O8 S12 -","4","0.5","","Xu, Bingjia; Wu, Haozhong; Chen, Junru; Yang, Zhan; Yang, Zhiyong; Wu, Yuan-Chun; Zhang, Yi; Jin, Chongjun; Lu, Po-Yen; Chi, Zhenguo; Liu, Siwei; Xu, Jiarui; Aldred, Matthew","White-light emission from a single heavy atom-free molecule with room temperature phosphorescence, mechanochromism and thermochromism","Chem. Sci.","2017","8","3","1909","","10.1039/C6SC03038F","","","1.54178","CuKα","","0.0469","0.037","","","0.0928","0.0992","","","","","","1.028","","","","has coordinates","193734","2020-10-21","18:00:00",""
"1544458","6.98145","0.00013","21.3099","0.0004","8.10016","0.00014","90","","97.9679","0.0017","90","","1193.46","0.04","100","0.3","100","0.3","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C11 H11 Cl N2 O5 -","- C11 H11 Cl N2 O5 -","- C44 H44 Cl4 N8 O20 -","4","1","","Liang, Jun; Chen, Rui-Ping; Wang, Xiu-Yun; Liu, Tao-Tao; Wang, Xu-Sheng; Huang, Yuan-Biao; Cao, Rong","Postsynthetic ionization of an imidazole-containing metal-organic framework for the cycloaddition of carbon dioxide and epoxides.","Chemical science","2017","8","2","1570","1575","10.1039/c6sc04357g","","x-ray","1.54184","CuKα","","0.0306","0.0285","","","0.0746","0.0758","","","","","","1.044","","","","has coordinates","196353","2020-10-21","18:00:00",""
"1544462","9.067","0.005","9.572","0.004","14.08","0.007","89.833","0.015","82.205","0.018","85.541","0.016","1207","1","100","","100","","","","","","","","","4","P -1","-P 1","2","","ysl-cycloaddition-pro-Allyl","","- C27 H32 N2 O7 -","- C27 H32 N2 O7 -","- C54 H64 N4 O14 -","2","1","","Yang, Shouliang; Sankar, Kuppusamy; Skepper, Colin K.; Barker, Timothy J.; Lukesh, 3rd, John C; Brody, Daniel M.; Brütsch, Manuela M; Boger, Dale L.","Total synthesis of a key series of vinblastines modified at C4 that define the importance and surprising trends in activity.","Chemical science","2017","8","2","1560","1569","10.1039/C6SC04146A","","x-ray","0.71073","MoKα","","0.0643","0.0424","","","0.0966","0.1092","","","","","","1.034","","","","has coordinates","193729","2020-10-21","18:00:00",""
"1544463","7.8529","0.0008","15.3187","0.0015","20.944","0.002","90","","90","","90","","2519.5","0.4","298.15","","298.15","","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","ysl-acid-unnatural","","- C25 H32 Cl2 N2 O6 -","- C25 H32 Cl2 N2 O6 -","- C100 H128 Cl8 N8 O24 -","4","1","","Yang, Shouliang; Sankar, Kuppusamy; Skepper, Colin K.; Barker, Timothy J.; Lukesh, 3rd, John C; Brody, Daniel M.; Brütsch, Manuela M; Boger, Dale L.","Total synthesis of a key series of vinblastines modified at C4 that define the importance and surprising trends in activity.","Chemical science","2017","8","2","1560","1569","10.1039/C6SC04146A","","x-ray","1.54178","CuKα","","0.095","0.0631","","","0.1638","0.1842","","","","","","1.027","","","","has coordinates,has disorder","193729","2020-10-21","18:00:00",""
"1544464","27.2685","0.0008","27.2685","0.0008","7.6863","0.0003","90","","90","","90","","5715.3","0.3","100","","100","","","","","","","","","4","I 4","I 4","79","","ysl-518-OBn-natural","","- C31 H38 N2 O5 -","- C31 H38 N2 O5 -","- C248 H304 N16 O40 -","8","1","","Yang, Shouliang; Sankar, Kuppusamy; Skepper, Colin K.; Barker, Timothy J.; Lukesh, 3rd, John C; Brody, Daniel M.; Brütsch, Manuela M; Boger, Dale L.","Total synthesis of a key series of vinblastines modified at C4 that define the importance and surprising trends in activity.","Chemical science","2017","8","2","1560","1569","10.1039/C6SC04146A","","x-ray","1.54178","CuKα","","0.0764","0.051","","","0.1246","0.1399","","","","","","1.027","","","","has coordinates,has disorder","193729","2020-10-21","18:00:00",""
"1544465","8.9658","0.0001","14.5779","0.0002","17.7311","0.0003","90","","90","","90","","2317.5","0.06","100","","100","","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","ysl-cycloaddition-pro-CO2Me-unnatural","","- C25 H30 N2 O7 -","- C25 H30 N2 O7 -","- C100 H120 N8 O28 -","4","1","","Yang, Shouliang; Sankar, Kuppusamy; Skepper, Colin K.; Barker, Timothy J.; Lukesh, 3rd, John C; Brody, Daniel M.; Brütsch, Manuela M; Boger, Dale L.","Total synthesis of a key series of vinblastines modified at C4 that define the importance and surprising trends in activity.","Chemical science","2017","8","2","1560","1569","10.1039/C6SC04146A","","x-ray","1.54178","CuKα","","0.0305","0.0291","","","0.0714","0.0725","","","","","","1.046","","","","has coordinates","193729","2020-10-21","18:00:00",""
"1544481","5.0603","0.0008","21.361","0.004","17.169","0.003","90","","96.419","0.004","90","","1844.2","0.6","296","2","296","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C20 H15 Br Cl2 O S -","- C20 H15 Br Cl2 O S -","- C80 H60 Br4 Cl8 O4 S4 -","4","1","","Chen, Dengfeng; Feng, Qingyuan; Yang, Yunqin; Cai, Xu-Min; Wang, Fei; Huang, Shenlin","Metal-free O-H/C-H difunctionalization of phenols by o-hydroxyarylsulfonium salts in water.","Chemical science","2017","8","2","1601","1606","10.1039/c6sc04504a","","","0.71073","MoKα","","0.033","0.0285","","","0.0708","0.0732","","","","","","1.039","","","","has coordinates","196358","2020-10-21","18:00:00",""
"1544482","18.742","0.002","15.6215","0.0019","13.97","0.0015","90","","98.216","0.004","90","","4048.1","0.8","296","2","296","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C24 H16 Cl N O3 S -","- C24 H16 Cl N O3 S -","- C192 H128 Cl8 N8 O24 S8 -","8","2","","Chen, Dengfeng; Feng, Qingyuan; Yang, Yunqin; Cai, Xu-Min; Wang, Fei; Huang, Shenlin","Metal-free O-H/C-H difunctionalization of phenols by o-hydroxyarylsulfonium salts in water.","Chemical science","2017","8","2","1601","1606","10.1039/c6sc04504a","","","0.71073","MoKα","","0.0982","0.0568","","","0.1283","0.1457","","","","","","1.017","","","","has coordinates","196358","2020-10-21","18:00:00",""
"1544483","6.0792","0.0009","14.673","0.002","23.976","0.004","90","","91.386","0.004","90","","2138","0.6","296","2","296","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C11 H8.5 F1.5 O2 S -","- C11 H8.5 F1.5 O2 S -","- C88 H68 F12 O16 S8 -","8","2","","Chen, Dengfeng; Feng, Qingyuan; Yang, Yunqin; Cai, Xu-Min; Wang, Fei; Huang, Shenlin","Metal-free O-H/C-H difunctionalization of phenols by o-hydroxyarylsulfonium salts in water.","Chemical science","2017","8","2","1601","1606","10.1039/c6sc04504a","","","0.71076","MoKα","","0.0992","0.064","","","0.1398","0.1567","","","","","","1.043","","","","has coordinates,has disorder","204121","2020-10-21","18:00:00",""
"1544510","7.8768","0.0001","8.0811","0.0001","8.6738","0.0006","68.1","0.005","66.086","0.005","61.433","0.004","432.1","0.04","93","","93","","","","","","","","","6","P -1","-P 1","2","Ir(pyalk)2Cl2, ""purple isomer""","trans-Cl, trans-O, trans-N-bis(2-{pyridin-2-yl}propan-2-olato)-dichloro-iridium(IV)","","- C16 H20 Cl2 Ir N2 O2 -","- C16 H20 Cl2 Ir N2 O2 -","- C16 H20 Cl2 Ir N2 O2 -","1","0.5","","Shopov, Dimitar Y.; Rudshteyn, Benjamin; Campos, Jesús; Vinyard, David J.; Batista, Victor S.; Brudvig, Gary W.; Crabtree, Robert H.","A full set of iridium(iv) pyridine-alkoxide stereoisomers: highly geometry-dependent redox properties.","Chemical science","2017","8","2","1642","1652","10.1039/c6sc03758e","","","1.54187","CuKα","","0.0334","0.0334","","","0.082","0.082","","","","","","1.063","","","","has coordinates","196354","2020-10-21","18:00:00",""
"1544511","16.9129","0.0003","16.9129","0.0003","25.3688","0.0018","90","","90","","90","","7256.6","0.5","93","","93","","","","","","","","","6","I 41/a","-I 4ad","88","Ir(pyalk)2Cl2, ""maroon isomer""","trans-Cl, cis-O, cis-N-bis(2-{pyridin-2-yl}propan-2-olato)-dichloro-iridium(IV)","","- C16 H20 Cl2 Ir N2 O2 -","- C16 H20 Cl2 Ir N2 O2 -","- C256 H320 Cl32 Ir16 N32 O32 -","16","","","Shopov, Dimitar Y.; Rudshteyn, Benjamin; Campos, Jesús; Vinyard, David J.; Batista, Victor S.; Brudvig, Gary W.; Crabtree, Robert H.","A full set of iridium(iv) pyridine-alkoxide stereoisomers: highly geometry-dependent redox properties.","Chemical science","2017","8","2","1642","1652","10.1039/c6sc03758e","","","1.54187","CuKα","","0.0239","0.0234","","","0.0516","0.0519","","","","","","1.036","","","","has coordinates","215051","2020-10-21","18:00:00",""
"1544512","8.8884","0.0003","9.6675","0.0003","12.5862","0.0009","95.132","0.007","109.482","0.008","110.349","0.008","929.79","0.12","93","2","93","2","","","","","","","","6","P -1","-P 1","2","Ir(pyalk)(Hpyalk)Cl2, red isomer","Hydrogen cis-Cl, cis-O, cis-N-bis(2-{pyridin-2-yl}propan-2-olato)-dichloro-iridate(III)","","- C16 H23 Cl2 Ir N2 O3 -","- C16 H23 Cl2 Ir N2 O3 -","- C32 H46 Cl4 Ir2 N4 O6 -","2","1","","Shopov, Dimitar Y.; Rudshteyn, Benjamin; Campos, Jesús; Vinyard, David J.; Batista, Victor S.; Brudvig, Gary W.; Crabtree, Robert H.","A full set of iridium(iv) pyridine-alkoxide stereoisomers: highly geometry-dependent redox properties.","Chemical science","2017","8","2","1642","1652","10.1039/c6sc03758e","","","0.71073","MoKα","","0.0183","0.0171","","","0.0444","0.0452","","","","","","0.881","","","","has coordinates,has disorder","196354","2020-10-21","18:00:00",""
"1544513","7.9001","0.0001","18.4626","0.0003","14.3136","0.001","90","","95.04","0.007","90","","2079.66","0.15","93","2","93","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","Ir(pyalk)2Cl2, ""green isomer""","cis-Cl, cis-O, trans-N-bis(2-{pyridin-2-yl}propan-2-olato)-dichloro-iridium(IV)","","- C18 H24 Cl2 Ir N2 O3 -","- C18 H24 Cl2 Ir N2 O3 -","- C72 H96 Cl8 Ir4 N8 O12 -","4","1","","Shopov, Dimitar Y.; Rudshteyn, Benjamin; Campos, Jesús; Vinyard, David J.; Batista, Victor S.; Brudvig, Gary W.; Crabtree, Robert H.","A full set of iridium(iv) pyridine-alkoxide stereoisomers: highly geometry-dependent redox properties.","Chemical science","2017","8","2","1642","1652","10.1039/c6sc03758e","","","1.54178","CuKα","","0.0307","0.0284","","","0.0681","0.07","","","","","","1.061","","","","has coordinates,has disorder","196354","2020-10-21","18:00:00",""
"1544514","8.7599","0.0002","15.6388","0.0003","15.6017","0.0011","90","","98.373","0.007","90","","2114.56","0.17","93","","93","","","","","","","","","6","P 1 21/n 1","-P 2yn","14","Ir(pyalk)2Cl2, ""red isomer""","cis-Cl, cis-O, cis-N-bis(2-{pyridin-2-yl}propan-2-olato)-dichloro-iridium(IV)","","- C17 H22 Cl4 Ir N2 O2 -","- C17 H22 Cl4 Ir N2 O2 -","- C68 H88 Cl16 Ir4 N8 O8 -","4","1","","Shopov, Dimitar Y.; Rudshteyn, Benjamin; Campos, Jesús; Vinyard, David J.; Batista, Victor S.; Brudvig, Gary W.; Crabtree, Robert H.","A full set of iridium(iv) pyridine-alkoxide stereoisomers: highly geometry-dependent redox properties.","Chemical science","2017","8","2","1642","1652","10.1039/c6sc03758e","","","0.71075","MoKα","","0.0235","0.0203","","","0.0409","0.0418","","","","","","1.061","","","","has coordinates","196354","2020-10-21","18:00:00",""
"1544515","9.044","0.007","13.823","0.009","17.039","0.013","90","0.016","95.227","0.013","90","0.019","2121","3","496","2","93","","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","Ir(pyalk)(Hpyalk)Cl2, green isomer","Hydrogen cis-Cl, cis-O, trans-N-bis(2-{pyridin-2-yl}propan-2-olato)-dichloro-iridate(III)","","- C33 H48 Cl6 Ir2 N4 O6 -","- C33 H48 Cl6 Ir2 N4 O6 -","- C66 H96 Cl12 Ir4 N8 O12 -","2","0.5","","Shopov, Dimitar Y.; Rudshteyn, Benjamin; Campos, Jesús; Vinyard, David J.; Batista, Victor S.; Brudvig, Gary W.; Crabtree, Robert H.","A full set of iridium(iv) pyridine-alkoxide stereoisomers: highly geometry-dependent redox properties.","Chemical science","2017","8","2","1642","1652","10.1039/c6sc03758e","","","0.71075","MoKα","","0.0547","0.0448","","","0.1334","0.1464","","","","","","1.168","","","","has coordinates,has disorder","196354","2020-10-21","18:00:00",""
"1544516","8.4303","0.0002","13.4446","0.0003","14.3559","0.001","74.431","0.005","85.859","0.006","81.771","0.006","1550.31","0.13","93","2","93","2","","","","","","","","7","P -1","-P 1","2","Na[Ir(pyalk)Cl4]","Sodium (2-{pyridin-2-yl}propan-2-olato)-tetrachloro-iridium(IV)","","- C8 H15 Cl4 Ir N Na O3.5 -","- C8 H15 Cl4 Ir N Na O3.5 -","- C32 H60 Cl16 Ir4 N4 Na4 O14 -","4","2","","Shopov, Dimitar Y.; Rudshteyn, Benjamin; Campos, Jesús; Vinyard, David J.; Batista, Victor S.; Brudvig, Gary W.; Crabtree, Robert H.","A full set of iridium(iv) pyridine-alkoxide stereoisomers: highly geometry-dependent redox properties.","Chemical science","2017","8","2","1642","1652","10.1039/c6sc03758e","","","0.71075","MoKα","","0.0348","0.0306","","","0.0559","0.0586","","","","","","1.094","","","","has coordinates","282761","2023-04-20","06:46:01",""
"1544517","14.9782","0.0004","15.0278","0.0003","17.4463","0.0012","90","","90","","90","","3927","0.3","93","2","93","","","","","","","","","6","P b c a","-P 2ac 2ab","61","Ir(pyalk)2Cl2, ""yellow isomer""","cis-Cl, trans-O, cis-N-bis(2-{pyridin-2-yl}propan-2-olato)-dichloro-iridium(IV)","","- C33 H42 Cl6 Ir2 N4 O4 -","- C33 H42 Cl6 Ir2 N4 O4 -","- C132 H168 Cl24 Ir8 N16 O16 -","4","0.5","","Shopov, Dimitar Y.; Rudshteyn, Benjamin; Campos, Jesús; Vinyard, David J.; Batista, Victor S.; Brudvig, Gary W.; Crabtree, Robert H.","A full set of iridium(iv) pyridine-alkoxide stereoisomers: highly geometry-dependent redox properties.","Chemical science","2017","8","2","1642","1652","10.1039/c6sc03758e","","","0.71073","MoKα","","0.0439","0.0369","","","0.0961","0.1013","","","","","","0.903","","","","has coordinates,has disorder","196354","2020-10-21","18:00:00",""
"1544536","8.8078","0.0018","9.5713","0.0019","23.675","0.005","90","","90","","90","","1995.9","0.7","173.15","","173.15","","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C24 H18 Br N O3 -","- C24 H18 Br N O3 -","- C96 H72 Br4 N4 O12 -","4","1","","Chen, Xiang-Yu; Chen, Kun-Quan; Sun, De-Qun; Ye, Song","N-Heterocyclic carbene-catalyzed oxidative [3 + 2] annulation of dioxindoles and enals: cross coupling of homoenolate and enolate.","Chemical science","2017","8","3","1936","1941","10.1039/c6sc04135c","","","0.71073","MoKα","","0.0304","0.029","","","0.0664","0.0671","","","","","","1.094","","","","has coordinates","196372","2020-10-21","18:00:00",""
"1544553","9.6965","0.0004","17.3653","0.0007","19.2464","0.0008","90","","90","","90","","3240.8","0.2","120","2","120","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C46 H32 O5 -","- C46 H32 O5 -","- C184 H128 O20 -","4","1","","Samoilichenko, Yuri; Kondratenko, Veronica; Ezernitskaya, Mariam; Lyssenko, Konstantin; Peregudov, Alexander; Khrustalev, Victor; Maleev, Victor; Moskalenko, Margarita; North, Michael; Tsaloev, Alan; Gugkaeva, Zalina T.; Belokon, Yuri","A mechanistic study of the Lewis acid‒Brønsted base‒Brønsted acid catalysed asymmetric Michael addition of diethyl malonate to cyclohexenone","Catal. Sci. Technol.","2017","7","1","90","","10.1039/C6CY01697A","","","0.71073","MoKα","","0.0891","0.0539","","","0.1281","0.1457","","","","","","1.018","","","","has coordinates","191454","2020-10-21","18:00:00",""
"1544554","6.657","0.002","34.537","0.013","19.811","0.008","90","","90","","90","","4555","3","93","","93","","","","","","","","","3","P b c a","-P 2ac 2ab","61","","5-(tert-butyldimethylsilyl)-10-(trimethylsilyl)dibenzo[a,e]pentalene","","- C25 H32 Si2 -","- C25 H32 Si2 -","- C200 H256 Si16 -","8","1","","Takahashi, Keisuke; Ito, Shingo; Shintani, Ryo; Nozaki, Kyoko","Selective synthesis of unsymmetric dibenzo[a,e]pentalenes by a rhodium-catalysed stitching reaction.","Chemical science","2017","8","1","101","107","10.1039/c6sc04560j","","","0.71075","MoKα","","0.114","0.0987","","","0.2249","0.2401","","","","","","1.318","","","","has coordinates","196310","2020-10-21","18:00:00",""
"1544555","15.291","0.008","11.701","0.006","14.17","0.008","90","","93.057","0.007","90","","2532","2","93","","93","","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","5-(tert-Butyldimethylsilyl)-12-(trimethylsilyl)benzo[a]naphtho[2,3-e]pentalene","","- C29 H34 Si2 -","- C29 H34 Si2 -","- C116 H136 Si8 -","4","1","","Takahashi, Keisuke; Ito, Shingo; Shintani, Ryo; Nozaki, Kyoko","Selective synthesis of unsymmetric dibenzo[a,e]pentalenes by a rhodium-catalysed stitching reaction.","Chemical science","2017","8","1","101","107","10.1039/c6sc04560j","","","0.71075","MoKα","","0.0922","0.0772","","","0.1967","0.2171","","","","","","1.168","","","","has coordinates","196310","2020-10-21","18:00:00",""
"1544556","7.221","0.003","11.79","0.005","16.389","0.009","110.915","0.01","93.663","0.016","94.99","0.02","1291.6","1.1","93","","93","","","","","","","","","5","P -1","-P 1","2","","5-(tert-Butyldimethylsilyl)-3-(dimethylamino)-8-nitro-10-(trimethylsilyl)dibenzo[a,e]pentalene","","- C27 H36 N2 O2 Si2 -","- C27 H36 N2 O2 Si2 -","- C54 H72 N4 O4 Si4 -","2","1","","Takahashi, Keisuke; Ito, Shingo; Shintani, Ryo; Nozaki, Kyoko","Selective synthesis of unsymmetric dibenzo[a,e]pentalenes by a rhodium-catalysed stitching reaction.","Chemical science","2017","8","1","101","107","10.1039/c6sc04560j","","","0.71075","MoKα","","0.1298","0.0765","","","0.1805","0.2282","","","","","","1.074","","","","has coordinates","196310","2020-10-21","18:00:00",""
"1544557","6.5595","0.0009","41.849","0.003","6.9922","0.0005","90","","94.939","0.008","90","","1912.3","0.3","97.3","","97.3","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C23 H11 F8 N3 O -","- C23 H11 F8 N3 O -","- C92 H44 F32 N12 O4 -","4","1","","Lin, Heyang; Chang, Xueping; Yan, Dongpeng; Fang, Wei-Hai; Cui, Ganglong","Tuning excited-state-intramolecular-proton-transfer (ESIPT) process and emission by cocrystal formation: a combined experimental and theoretical study.","Chemical science","2017","8","3","2086","2090","10.1039/c6sc04354b","","","0.7107","MoKα","","0.092","0.0642","","","0.1307","0.1452","","","","","","1.09","","","","has coordinates","196365","2020-10-21","18:00:00",""
"1544558","15.842","0.008","5.698","0.0005","16.7517","0.0015","90","","94.72","0.02","90","","1507","0.8","97.2","0.1","97.2","0.1","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C32 H22 F4 I2 N6 O2 -","- C32 H22 F4 I2 N6 O2 -","- C64 H44 F8 I4 N12 O4 -","2","0.5","","Lin, Heyang; Chang, Xueping; Yan, Dongpeng; Fang, Wei-Hai; Cui, Ganglong","Tuning excited-state-intramolecular-proton-transfer (ESIPT) process and emission by cocrystal formation: a combined experimental and theoretical study.","Chemical science","2017","8","3","2086","2090","10.1039/c6sc04354b","","x-ray","0.71073","MoKα","","0.0399","0.0332","","","0.0705","0.0753","","","","","","1.028","","","","has coordinates","196365","2020-10-21","18:00:00",""
"1544592","9.0286","0.0014","9.0591","0.0015","9.4956","0.0015","81.785","0.002","73.648","0.002","66.336","0.002","682.18","0.19","293","2","293","2","","","","","","","","3","P -1","-P 1","2","","","","- C30 H36 S4 -","- C30 H36 S4 -","- C30 H36 S4 -","1","0.5","","Dong, Xin; Tian, Hongkun; Xie, Zhiyuan; Geng, Yanhou; Wang, Fosong","Donor‒acceptor conjugated polymers based on two-dimensional thiophene derivatives for bulk heterojunction solar cells","Polym. Chem.","2017","8","2","421","","10.1039/C6PY01767C","","","0.71073","MoKα","","0.0401","0.0358","","","0.0995","0.1112","","","","","","1.119","","","","has coordinates","191766","2020-10-21","18:00:00",""
"1544602","11.3281","0.0006","24.0698","0.0013","13.5639","0.0006","90","","110.91","0.002","90","","3454.8","0.3","100","","100","","","","","","","","see text","7","P 1 21/c 1","-P 2ybc","14","","","","- C56 H72 F12 N4 O2 Si2 Zn2 -","- C56 H72 F12 N4 O2 Si2 Zn2 -","- C112 H144 F24 N8 O4 Si4 Zn4 -","2","0.5","","Reiter, M.; Vagin, S.; Kronast, A.; Jandl, C.; Rieger, B.","A Lewis acid β-diiminato-zinc-complex as all-rounder for co- and terpolymerisation of various epoxides with carbon dioxide","Chem. Sci.","2017","8","3","1876","","10.1039/C6SC04477H","","x-ray","0.71073","MoKα","","0.0316","0.0283","","","0.0692","0.0708","","","","","","1.041","","","","has coordinates,has disorder","211179","2020-10-21","18:00:00",""
"1544603","10.5225","0.0011","11.8495","0.0013","16.4988","0.0018","91.643","0.005","107.641","0.005","115.266","0.004","1742.8","0.3","100","","100","","","","","","","","see text","6","P -1","-P 1","2","","","","- C31 H45 F6 N3 Si2 Zn -","- C31 H45 F6 N3 Si2 Zn -","- C62 H90 F12 N6 Si4 Zn2 -","2","1","","Reiter, M.; Vagin, S.; Kronast, A.; Jandl, C.; Rieger, B.","A Lewis acid β-diiminato-zinc-complex as all-rounder for co- and terpolymerisation of various epoxides with carbon dioxide","Chem. Sci.","2017","8","3","1876","","10.1039/C6SC04477H","","x-ray","0.71073","MoKα","","0.0418","0.0364","","","0.0955","0.0991","","","","","","1.053","","","","has coordinates","211179","2020-10-21","18:00:00",""
"1544629","19.4453","0.0005","15.7177","0.0002","23.5873","0.0007","90","","109.174","0.003","90","","6809.2","0.3","140","0.2","140","0.2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C56 H68 B4 Cl8 Fe2 N14 O12 -","- C56 H68 B4 Cl8.0001 Fe2 N14 O12 -","- C224 H272 B16 Cl32.0004 Fe8 N56 O48 -","4","1","","Jansze, Suzanne M.; Wise, Matthew D.; Vologzhanina, Anna V.; Scopelliti, Rosario; Severin, Kay","PdII2L4-type coordination cages up to three nanometers in size","Chem. Sci.","2017","8","3","1901","","10.1039/C6SC04732G","","x-ray","1.54184","CuKα","","0.1089","0.0848","","","0.176","0.1888","","","","","","1.042","","","","has coordinates,has disorder","193752","2020-10-21","18:00:00",""
"1544630","8.4174","0.0008","19.6607","0.0014","20.1792","0.0015","60.961","0.008","79.048","0.008","87.787","0.007","2860.9","0.5","140","0.2","140","0.2","","","","","","","","7","P -1","-P 1","2","","","","- C43 H54 B4 Cl6 Fe2 N14 O12 -","- C43 H54 B4 Cl6 Fe2 N14 O12 -","- C86 H108 B8 Cl12 Fe4 N28 O24 -","2","1","","Jansze, Suzanne M.; Wise, Matthew D.; Vologzhanina, Anna V.; Scopelliti, Rosario; Severin, Kay","PdII2L4-type coordination cages up to three nanometers in size","Chem. Sci.","2017","8","3","1901","","10.1039/C6SC04732G","","x-ray","1.54184","CuKα","","0.11","0.0813","","","0.1745","0.194","","","","","","1.045","","","","has coordinates,has disorder","193752","2020-10-21","18:00:00",""
"1544631","20.2193","0.0012","20.6255","0.0011","21.5175","0.0012","63.61","0.005","76.958","0.005","85.618","0.005","7828.1","0.9","140","0.1","140","0.1","","","","","","","","8","P -1","-P 1","2","","","","- C226 H267 B20 F16 Fe8 N65 O48 Pd2 -","- C226 H267 B20 F16 Fe8 N65 O48 Pd2 -","- C226 H267 B20 F16 Fe8 N65 O48 Pd2 -","1","0.5","","Jansze, Suzanne M.; Wise, Matthew D.; Vologzhanina, Anna V.; Scopelliti, Rosario; Severin, Kay","PdII2L4-type coordination cages up to three nanometers in size","Chem. Sci.","2017","8","3","1901","","10.1039/C6SC04732G","","x-ray","1.54184","CuKα","","0.1212","0.0958","","","0.2057","0.222","","","","","","0.999","","","","has coordinates,has disorder","193752","2020-10-21","18:00:00",""
"1544632","41.2884","0.0009","14.0841","0.0004","54.0058","0.0015","90","","97.789","0.002","90","","31115.2","1.4","140","","140","","","","","","","","","8","P 1 2/c 1","-P 2yc","13","","","","- C160 H192 B20 F16 Fe8 N56 O48 Pd2 -","- C160 H192 B20 F16 Fe8 N56 O48 Pd2 -","- C640 H768 B80 F64 Fe32 N224 O192 Pd8 -","4","1","","Jansze, Suzanne M.; Wise, Matthew D.; Vologzhanina, Anna V.; Scopelliti, Rosario; Severin, Kay","PdII2L4-type coordination cages up to three nanometers in size","Chem. Sci.","2017","8","3","1901","","10.1039/C6SC04732G","","x-ray","1.54184","CuKα","","0.2129","0.1467","","","0.2909","0.3321","","","","","","0.995","","","","has coordinates,has disorder","193752","2020-10-21","18:00:00",""
"1544633","21.3764","0.0008","21.4422","0.0009","23.5362","0.001","105.44","0.004","91.132","0.003","90.267","0.003","10396.1","0.8","140","0.1","140","0.1","","","","","","","","9","P -1","-P 1","2","","","","- C262 H304 B20 F16 Fe8 N64 O50 Pd2 S0.5 -","- C262 H304 B20 F16 Fe8 N64 O50 Pd2 S0.5 -","- C262 H304 B20 F16 Fe8 N64 O50 Pd2 S0.5 -","1","0.5","","Jansze, Suzanne M.; Wise, Matthew D.; Vologzhanina, Anna V.; Scopelliti, Rosario; Severin, Kay","PdII2L4-type coordination cages up to three nanometers in size","Chem. Sci.","2017","8","3","1901","","10.1039/C6SC04732G","","x-ray","1.54184","CuKα","","0.1317","0.0979","","","0.2092","0.2274","","","","","","1.002","","","","has coordinates,has disorder","193752","2020-10-21","18:00:00",""
"1544634","20.6996","0.0019","21.9894","0.001","23.0916","0.0012","96.416","0.004","91.4","0.006","109.195","0.006","9843.2","1.2","140","0.1","140","0.1","","","","","","","","8","P -1","-P 1","2","","","","- C244 H264 B20 F16 Fe8 N56 O56 Pd2 -","- C244 H264 B20 F16 Fe8 N56 O56 Pd2 -","- C244 H264 B20 F16 Fe8 N56 O56 Pd2 -","1","0.5","","Jansze, Suzanne M.; Wise, Matthew D.; Vologzhanina, Anna V.; Scopelliti, Rosario; Severin, Kay","PdII2L4-type coordination cages up to three nanometers in size","Chem. Sci.","2017","8","3","1901","","10.1039/C6SC04732G","","x-ray","1.54184","CuKα","","0.2287","0.1499","","","0.2913","0.3359","","","","","","1.063","","","","has coordinates,has disorder","193752","2020-10-21","18:00:00",""
"1544635","17.5471","0.00008","17.5471","0.00008","62.6742","0.0005","90","","90","","90","","19297.4","0.2","140","0.1","140","0.1","","","","","","","","8","P 4/m n c","-P 4 2n","128","","","","- C264 H306 B20 F16 Fe8 N62 O56 Pd2 -","- C264 H306 B20 F16 Fe8 N62 O56 Pd2 -","- C528 H612 B40 F32 Fe16 N124 O112 Pd4 -","2","0.125","","Jansze, Suzanne M.; Wise, Matthew D.; Vologzhanina, Anna V.; Scopelliti, Rosario; Severin, Kay","PdII2L4-type coordination cages up to three nanometers in size","Chem. Sci.","2017","8","3","1901","","10.1039/C6SC04732G","","x-ray","1.54184","CuKα","","0.0673","0.0653","","","0.1649","0.1667","","","","","","1.02","","","","has coordinates,has disorder","193752","2020-10-21","18:00:00",""
"1544644","14.8643","0.0004","19.384","0.0003","24.2728","0.0007","90","","107.004","0.003","90","","6688","0.3","150.02","0.1","150.02","0.1","","","","","","","","4","C 1 c 1","C -2yc","9","","2-Y","","- C70 H83 Sb4 Y3 -","- C70 H83 Sb4 Y3 -","- C280 H332 Sb16 Y12 -","4","1","","Pugh, Thomas; Chilton, Nicholas F.; Layfield, Richard A.","Antimony-ligated dysprosium single-molecule magnets as catalysts for stibine dehydrocoupling.","Chemical science","2017","8","3","2073","2080","10.1039/c6sc04465d","","","0.71073","MoKα","","0.0693","0.0459","","","0.0773","0.0868","","","","","","1.009","","","","has coordinates,has disorder","196364","2020-10-21","18:00:00",""
"1544645","14.8968","0.0003","19.3308","0.0004","24.2616","0.0005","90","","106.568","0.002","90","","6696.5","0.2","150.02","0.1","150.02","0.1","","","","","","","","4","C 1 c 1","C -2yc","9","","2-Dy","","- C70 H83 Dy3 Sb4 -","- C70 H83 Dy3 Sb4 -","- C280 H332 Dy12 Sb16 -","4","1","","Pugh, Thomas; Chilton, Nicholas F.; Layfield, Richard A.","Antimony-ligated dysprosium single-molecule magnets as catalysts for stibine dehydrocoupling.","Chemical science","2017","8","3","2073","2080","10.1039/c6sc04465d","","","0.71073","MoKα","","0.0411","0.0349","","","0.0581","0.0615","","","","","","1.016","","","","has coordinates,has disorder","196364","2020-10-21","18:00:00",""
"1544646","15.113","0.0002","18.7437","0.0002","24.0965","0.0003","90","","103.339","0.001","90","","6641.75","0.14","150.01","0.1","150.01","0.1","","","","","","","","4","C 1 c 1","C -2yc","9","","1-Dy","","- C70 H83 Dy3 Sb3 -","- C70 H83 Dy3 Sb3 -","- C280 H332 Dy12 Sb12 -","4","1","","Pugh, Thomas; Chilton, Nicholas F.; Layfield, Richard A.","Antimony-ligated dysprosium single-molecule magnets as catalysts for stibine dehydrocoupling.","Chemical science","2017","8","3","2073","2080","10.1039/c6sc04465d","","","0.71073","MoKα","","0.0303","0.0282","","","0.0635","0.0648","","","","","","1.027","","","","has coordinates,has disorder","196364","2020-10-21","18:00:00",""
"1544647","15.1052","0.0002","18.7715","0.0002","24.1263","0.0003","90","","103.437","0.001","90","","6653.68","0.14","150.02","0.11","150.02","0.11","","","","","","","","4","C 1 c 1","C -2yc","9","","1-Y","","- C70 H83 Sb3 Y3 -","- C70 H83 Sb3 Y3 -","- C280 H332 Sb12 Y12 -","4","1","","Pugh, Thomas; Chilton, Nicholas F.; Layfield, Richard A.","Antimony-ligated dysprosium single-molecule magnets as catalysts for stibine dehydrocoupling.","Chemical science","2017","8","3","2073","2080","10.1039/c6sc04465d","","","0.71073","MoKα","","0.0241","0.0213","","","0.0445","0.0455","","","","","","1.031","","","","has coordinates,has disorder","196364","2020-10-21","18:00:00",""
"1544648","5.174","0.0002","7.9835","0.0004","11.2694","0.0005","88.921","0.004","79.679","0.004","73.714","0.004","439.35","0.04","150.01","0.13","150.01","0.13","","","","","","","","3","P -1","-P 1","2","","Dimesityldistibine","","- C18 H24 Sb2 -","- C18 H24 Sb2 -","- C18 H24 Sb2 -","1","0.5","","Pugh, Thomas; Chilton, Nicholas F.; Layfield, Richard A.","Antimony-ligated dysprosium single-molecule magnets as catalysts for stibine dehydrocoupling.","Chemical science","2017","8","3","2073","2080","10.1039/c6sc04465d","","","0.71073","MoKα","","0.0308","0.0236","","","0.0516","0.0548","","","","","","1.049","","","","has coordinates,has disorder","196364","2020-10-21","18:00:00",""
"1544649","19.7793","0.0008","19.7793","0.0008","11.2095","0.0007","90","","90","","120","","3797.9","0.3","100","0.1","100","0.1","","","","","","","","4","P 65","P 65","170","","","","- C19 H35 N3 O7 -","- C19 H35 N3 O7 -","- C114 H210 N18 O42 -","6","1","","Paikar, Arpita; Pramanik, Apurba; Das, Tanmay; Haldar, Debasish","A self-assembled peptide mimetic of a tubular host and a supramolecular polymer","Polym. Chem.","2017","8","2","396","","10.1039/C6PY01955B","","x-ray","0.71073","MoKα","","0.0711","0.0591","","","0.1546","0.1625","","","","","","1.008","","","","has coordinates","191765","2020-10-21","18:00:00",""
"1544655","22.63","0.008","23.529","0.009","19.425","0.007","90","","112.979","0.005","90","","9522","6","123","2","123","2","","","","","","","Synthesis","6","P 1 21/c 1","-P 2ybc","14","cyclo[6]aramide/Paraquat complex","cyclo[6]aramide and paraquat hexafluoro phosphate","","- C90 H121 F6 N7 O18 P -","- C90 H121 F6 N7 O18 P -","- C360 H484 F24 N28 O72 P4 -","4","1","","Li, Xiaowei; Yuan, Xiangyang; Deng, Pengchi; Chen, Lixi; Ren, Yi; Wang, Chengyuan; Wu, Lixin; Feng, Wen; Gong, Bing; Yuan, Lihua","Macrocyclic shape-persistency of cyclo[6]aramide results in enhanced multipoint recognition for the highly efficient template-directed synthesis of rotaxanes.","Chemical science","2017","8","3","2091","2100","10.1039/c6sc04714a","","","0.71073","MoKα","","0.1534","0.0896","","","0.2339","0.2667","","","","","","1.262","","","","has coordinates,has disorder","196360","2020-10-21","18:00:00",""
"1544656","22.928","0.002","25.6042","0.0012","23.2131","0.0015","90","","111.03","0.009","90","","12719.6","1.7","150","2","150","2","","","","","","","Synthesis","6","P 1 21/n 1","-P 2yn","14","[3]rotaxane of cyclo[6]aramides and paraquat derivatives","rotaxane-cyclo[6]aramides/paraquat","","- C216 H292 F12 N20 O36 P2 -","- C216 H292 F12 N20 O36 P2 -","- C432 H584 F24 N40 O72 P4 -","2","0.5","","Li, Xiaowei; Yuan, Xiangyang; Deng, Pengchi; Chen, Lixi; Ren, Yi; Wang, Chengyuan; Wu, Lixin; Feng, Wen; Gong, Bing; Yuan, Lihua","Macrocyclic shape-persistency of cyclo[6]aramide results in enhanced multipoint recognition for the highly efficient template-directed synthesis of rotaxanes.","Chemical science","2017","8","3","2091","2100","10.1039/c6sc04714a","","","0.71073","MoKα","","0.1758","0.1198","","","0.3108","0.3386","","","","","","1.051","","","","has coordinates,has disorder","196360","2020-10-21","18:00:00",""
"1544657","9.0651","0.0011","8.8852","0.001","33.617","0.005","90","","90","","90","","2707.7","0.6","298","","298","","","","","","","","","5","P b c a","-P 2ac 2ab","61","bis(6-iodohexylammonium) tetraiodoplumbate","bis(6-iodohexan-1-aminium) tetraiodoplumbate","","- C12 H30 I6 N2 Pb -","- C12 H30 I6 N2 Pb -","- C48 H120 I24 N8 Pb4 -","4","0.5","","Smith, Matthew D.; Pedesseau, Laurent; Kepenekian, Mikaël; Smith, Ian C.; Katan, Claudine; Even, Jacky; Karunadasa, Hemamala I.","Decreasing the electronic confinement in layered perovskites through intercalation.","Chemical science","2017","8","3","1960","1968","10.1039/c6sc02848a","","","0.71073","MoKα","","0.043","0.0315","","","0.0661","0.0706","","","","","","1.123","","","","has coordinates,has disorder","196369","2020-10-21","18:00:00",""
"1544658","19.385","0.003","16.22","0.003","10.9215","0.0015","90","","107.035","0.018","90","","3283.3","1","113","2","113","2","","","","","","","","6","C 1 2 1","C 2y","5","","","","- C39 H36 Cl2 Ir O2 P -","- C39 H36 Cl2 Ir O2 P -","- C156 H144 Cl8 Ir4 O8 P4 -","4","1","","Yang, Shuang; Che, Wen; Wu, Hui-Ling; Zhu, Shou-Fei; Zhou, Qi-Lin","Neutral iridium catalysts with chiral phosphine-carboxy ligands for asymmetric hydrogenation of unsaturated carboxylic acids.","Chemical science","2017","8","3","1977","1980","10.1039/c6sc03764j","","","0.71073","MoKα","","0.0321","0.0317","","","0.0748","0.075","","","","","","1.041","","","","has coordinates,has disorder","196368","2020-10-21","18:00:00",""
"1544659","7.0191","0.0003","18.0476","0.0008","16.9652","0.0006","90","","99.85","0.003","90","","2117.44","0.15","100","2","100","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C22 H12 I N6 O3 Re -","- C22 H12 I N6 O3 Re -","- C88 H48 I4 N24 O12 Re4 -","4","1","","Wedding, J. L.; Harris, H. H.; Bader, C. A.; Plush, S. E.; Mak, R.; Massi, M.; Brooks, D. A.; Lai, B.; Vogt, S.; Werrett, M. V.; Simpson, P. V.; Skelton, B. W.; Stagni, S.","Intracellular distribution and stability of a luminescent rhenium(i) tricarbonyl tetrazolato complex using epifluorescence microscopy in conjunction with X-ray fluorescence imaging.","Metallomics : integrated biometal science","2017","9","4","382","390","10.1039/c6mt00243a","","","0.71073","MoKα","","0.0448","0.0372","","","0.0787","0.0815","","","","","","1.129","","","","has coordinates","196474","2020-10-21","18:00:00",""
"1544660","13.7983","0.0008","18.7174","0.0011","19.3028","0.0011","90","","90","","90","","4985.3","0.5","100","2","100","2","","","","","","","","7","P 21 21 21","P 2ac 2ab","19","","","","- C45 H43 Cl11 N O P Pd -","- C45 H43 Cl11 N O P Pd -","- C180 H172 Cl44 N4 O4 P4 Pd4 -","4","1","","Race, Nicholas J.; Faulkner, Adele; Fumagalli, Gabriele; Yamauchi, Takayuki; Scott, James S.; Rydén-Landergren, Marie; Sparkes, Hazel A.; Bower, John F.","Enantioselective Narasaka-Heck cyclizations: synthesis of tetrasubstituted nitrogen-bearing stereocenters.","Chemical science","2017","8","3","1981","1985","10.1039/c6sc04466b","","","0.71073","MoKα","","0.0419","0.0328","","","0.0636","0.0666","","","","","","1.02","","","","has coordinates,has disorder","196361","2020-10-21","18:00:00",""
"1544661","6.077","0.0011","7.7665","0.0014","27.619","0.005","90","","90","","90","","1303.5","0.4","100","","100","","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C17 H17 N -","- C17 H17 N -","- C68 H68 N4 -","4","1","","Race, Nicholas J.; Faulkner, Adele; Fumagalli, Gabriele; Yamauchi, Takayuki; Scott, James S.; Rydén-Landergren, Marie; Sparkes, Hazel A.; Bower, John F.","Enantioselective Narasaka-Heck cyclizations: synthesis of tetrasubstituted nitrogen-bearing stereocenters.","Chemical science","2017","8","3","1981","1985","10.1039/c6sc04466b","","","1.54178","CuKα","","0.0273","0.0272","","","0.071","0.0711","","","","","","1.076","","","","has coordinates","196361","2020-10-21","18:00:00",""
"1544701","20.2513","0.0002","20.7166","0.0003","21.07611","0.00018","90","","90","","90","","8842.23","0.17","123.01","0.1","123.01","0.1","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C81.75 H139 F6 N17 O9.75 P -","- C81.75 H139 F6 N17 O9.75 P -","- C327 H556 F24 N68 O39 P4 -","4","1","","Kaabel, Sandra; Adamson, Jasper; Topić, Filip; Kiesilä, Anniina; Kalenius, Elina; Öeren, Mario; Reimund, Mart; Prigorchenko, Elena; Lõokene, Aivar; Reich, Hans J.; Rissanen, Kari; Aav, Riina","Chiral hemicucurbit[8]uril as an anion receptor: selectivity to size, shape and charge distribution","Chem. Sci.","2017","8","3","2184","","10.1039/C6SC05058A","","x-ray","1.54184","CuKα","","0.0412","0.0377","","","0.1002","0.1036","","","","","","1.031","","","","has coordinates,has disorder","193733","2020-10-21","18:00:00",""
"1544702","20.20836","0.00017","21.378","0.0002","20.70075","0.00019","90","","90.0578","0.0008","90","","8943.02","0.14","123","0.1","123","0.1","","","","","","","","7","P 1 21 1","P 2yb","4","","","","- C82 H140 F6 N16 O10 P Sb -","- C82 H140 F6 N16 O10 P Sb -","- C328 H560 F24 N64 O40 P4 Sb4 -","4","2","","Kaabel, Sandra; Adamson, Jasper; Topić, Filip; Kiesilä, Anniina; Kalenius, Elina; Öeren, Mario; Reimund, Mart; Prigorchenko, Elena; Lõokene, Aivar; Reich, Hans J.; Rissanen, Kari; Aav, Riina","Chiral hemicucurbit[8]uril as an anion receptor: selectivity to size, shape and charge distribution","Chem. Sci.","2017","8","3","2184","","10.1039/C6SC05058A","","x-ray","1.54184","CuKα","","0.0334","0.0327","","","0.0931","0.0932","","","","","","1.039","","","","has coordinates","193733","2020-10-21","18:00:00",""
"1544703","20.03081","0.00012","20.92663","0.00013","20.97159","0.00013","90","","90","","90","","8790.82","0.09","123.01","0.1","123.01","0.1","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C82 H140 B F4 N17 O10 -","- C82 H140 B F4 N17 O10 -","- C328 H560 B4 F16 N68 O40 -","4","1","","Kaabel, Sandra; Adamson, Jasper; Topić, Filip; Kiesilä, Anniina; Kalenius, Elina; Öeren, Mario; Reimund, Mart; Prigorchenko, Elena; Lõokene, Aivar; Reich, Hans J.; Rissanen, Kari; Aav, Riina","Chiral hemicucurbit[8]uril as an anion receptor: selectivity to size, shape and charge distribution","Chem. Sci.","2017","8","3","2184","","10.1039/C6SC05058A","","x-ray","1.54184","CuKα","","0.0553","0.0544","","","0.1574","0.1587","","","","","","1.061","","","","has coordinates,has disorder","193733","2020-10-21","18:00:00",""
"1544704","20.1641","0.0003","20.8019","0.0003","21.1254","0.0003","90","","90","","90","","8861.1","0.2","123.01","0.1","123.01","0.1","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C81.75 H139 N17 O13.75 Re -","- C81.75 H139 N17 O13.75 Re -","- C327 H556 N68 O55 Re4 -","4","1","","Kaabel, Sandra; Adamson, Jasper; Topić, Filip; Kiesilä, Anniina; Kalenius, Elina; Öeren, Mario; Reimund, Mart; Prigorchenko, Elena; Lõokene, Aivar; Reich, Hans J.; Rissanen, Kari; Aav, Riina","Chiral hemicucurbit[8]uril as an anion receptor: selectivity to size, shape and charge distribution","Chem. Sci.","2017","8","3","2184","","10.1039/C6SC05058A","","x-ray","1.54184","CuKα","","0.0613","0.0594","","","0.1641","0.1662","","","","","","1.031","","","","has coordinates,has disorder","193733","2020-10-21","18:00:00",""
"1544705","20.1263","0.0003","21.3089","0.0003","20.7811","0.0002","90","","90.0371","0.0012","90","","8912.4","0.2","120","0.1","120","0.1","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C82 H140 I N16 O14 P -","- C82 H140 I0.9995 N16 O13.998 P -","- C328 H560 I3.998 N64 O55.992 P4 -","4","2","","Kaabel, Sandra; Adamson, Jasper; Topić, Filip; Kiesilä, Anniina; Kalenius, Elina; Öeren, Mario; Reimund, Mart; Prigorchenko, Elena; Lõokene, Aivar; Reich, Hans J.; Rissanen, Kari; Aav, Riina","Chiral hemicucurbit[8]uril as an anion receptor: selectivity to size, shape and charge distribution","Chem. Sci.","2017","8","3","2184","","10.1039/C6SC05058A","","x-ray","0.71073","MoKα","","0.0385","0.0362","","","0.0837","0.0862","","","","","","1.041","","","","has coordinates,has disorder","193733","2020-10-21","18:00:00",""
"1544706","20.27229","0.00012","20.7328","0.00013","21.02695","0.00011","90","","90","","90","","8837.66","0.09","123.01","0.1","123.01","0.1","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C83 H140 F3 N17 O13 S -","- C83 H140 F3 N17 O13 S -","- C332 H560 F12 N68 O52 S4 -","4","1","","Kaabel, Sandra; Adamson, Jasper; Topić, Filip; Kiesilä, Anniina; Kalenius, Elina; Öeren, Mario; Reimund, Mart; Prigorchenko, Elena; Lõokene, Aivar; Reich, Hans J.; Rissanen, Kari; Aav, Riina","Chiral hemicucurbit[8]uril as an anion receptor: selectivity to size, shape and charge distribution","Chem. Sci.","2017","8","3","2184","","10.1039/C6SC05058A","","x-ray","1.54184","CuKα","","0.0502","0.0492","","","0.1432","0.1445","","","","","","1.04","","","","has coordinates,has disorder","193733","2020-10-21","18:00:00",""
"1544707","14.6959","0.001","7.2819","0.0006","13.7456","0.001","90","","94.301","0.005","90","","1466.83","0.19","296","2","296","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C13 H4 F10 N4 O -","- C13 H4 F10 N4 O -","- C52 H16 F40 N16 O4 -","4","1","","Chowdhury, Additi Roy; Ghosh, Pritam; Paul, Suparna; Bhuyan, Samuzal; Bose K, Jagadeesh C.; Mukhopadhyay, Sudit; Banerjee, Priyabrata","A novel ditopic chemosensor for cadmium and fluoride and its possible application as a pH sensor","Anal. Methods","2017","9","1","124","","10.1039/C6AY02656G","","","0.71073","MoKα","","0.1002","0.0558","","","0.1594","0.1965","","","","","","1.018","","","","has coordinates","191452","2020-10-21","18:00:00",""
"1544742","12.4327","0.0005","15.7628","0.0007","12.9117","0.0006","90","","97.2061","0.0009","90","","2510.37","0.19","100","","100","","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C26 H38 Au N2 P S -","- C26 H38 Au N2 P S -","- C104 H152 Au4 N8 P4 S4 -","4","1","","Chan, Kaai Tung; Tong, Glenna So Ming; To, Wai-Pong; Yang, Chen; Du, Lili; Phillips, David Lee; Che, Chi-Ming","The interplay between fluorescence and phosphorescence with luminescent gold(i) and gold(iii) complexes bearing heterocyclic arylacetylide ligands.","Chemical science","2017","8","3","2352","2364","10.1039/c6sc03775e","","x-ray","1.54178","CuKα","","0.0322","0.0317","","","0.0853","0.0859","","","","","","1.129","","","","has coordinates","196362","2020-10-21","18:00:00",""
"1544743","11.4778","0.0017","20.461","0.003","11.6734","0.0017","90","","111.062","0.002","90","","2558.3","0.7","100","","100","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C32 H25 Au N2 O2 -","- C32 H25 Au N2 O2 -","- C128 H100 Au4 N8 O8 -","4","1","","Chan, Kaai Tung; Tong, Glenna So Ming; To, Wai-Pong; Yang, Chen; Du, Lili; Phillips, David Lee; Che, Chi-Ming","The interplay between fluorescence and phosphorescence with luminescent gold(i) and gold(iii) complexes bearing heterocyclic arylacetylide ligands.","Chemical science","2017","8","3","2352","2364","10.1039/c6sc03775e","","x-ray","1.54178","CuKα","","0.0241","0.024","","","0.0645","0.0645","","","","","","1.142","","","","has coordinates","196362","2020-10-21","18:00:00",""
"1544744","10.9501","0.0006","25.1526","0.0013","13.6349","0.0007","90","","102.556","0.001","90","","3665.6","0.3","100","","100","","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C39 H51 Au B F2 N2 P -","- C39 H51 Au B F2 N2 P -","- C156 H204 Au4 B4 F8 N8 P4 -","4","1","","Chan, Kaai Tung; Tong, Glenna So Ming; To, Wai-Pong; Yang, Chen; Du, Lili; Phillips, David Lee; Che, Chi-Ming","The interplay between fluorescence and phosphorescence with luminescent gold(i) and gold(iii) complexes bearing heterocyclic arylacetylide ligands.","Chemical science","2017","8","3","2352","2364","10.1039/c6sc03775e","","","1.54178","CuKα","","0.0417","0.0409","","","0.1069","0.1077","","","","","","1.034","","","","has coordinates,has disorder","196362","2020-10-21","18:00:00",""
"1544745","42.723","0.006","42.723","0.006","37.856","0.008","90","","90","","90","","69097","2","223","1","223","1","","","","","","","","6","P -4 n 2","P -4 -2n","118","","","","- C372 H446 Cd24 Eu8 N24 O142 -","- C372 H446 Cd24 Eu8 N24 O142 -","- C1488 H1784 Cd96 Eu32 N96 O568 -","4","0.5","","Yang, Xiaoping; Wang, Shiqing; Zhang, Lijie; Wang, Chenri; Zhu, Ting; Bo, Le; Huang, Shaoming","Enhancement of the luminescence properties of high-nuclearity Cd-Ln (Ln = Eu and Nd) nanoclusters by the introduction of more energy transfer donors.","Nanoscale","2017","9","2","517","521","10.1039/c6nr07906g","","","0.710747","MoKα","","0.1553","0.0916","","","0.2165","0.2587","","","","","","0.908","","","","has coordinates","191694","2020-10-21","18:00:00",""
"1544746","42.795","0.006","42.795","0.006","37.864","0.008","90","","90","","90","","69345","2","190","1","190","1","","","","","","","","6","P -4 n 2","P -4 -2n","118","","","","- C389 H512 Cd24 N24 Nd8 O173.5 -","- C389 H512 Cd24 N24 Nd8 O173.5 -","- C1556 H2048 Cd96 N96 Nd32 O694 -","4","0.5","","Yang, Xiaoping; Wang, Shiqing; Zhang, Lijie; Wang, Chenri; Zhu, Ting; Bo, Le; Huang, Shaoming","Enhancement of the luminescence properties of high-nuclearity Cd-Ln (Ln = Eu and Nd) nanoclusters by the introduction of more energy transfer donors.","Nanoscale","2017","9","2","517","521","10.1039/c6nr07906g","","","0.71073","MoKα","","0.2006","0.1094","","","0.2595","0.3325","","","","","","1.083","","","","has coordinates","191694","2020-10-21","18:00:00",""
"1544749","9.7188","0.0001","7.1598","0.0001","18.2787","0.0003","90","","98.358","0.001","90","","1258.41","0.03","100","2","100","2","","","","","","","","2","P 1 21/n 1","-P 2yn","14","","","","- C10 Cl8 -","- C10 Cl8 -","- C40 Cl32 -","4","1","","Sarkar, Sounak; Row, Tayur N. Guru","A heuristic approach to evaluate <i>peri</i> interactions <i>versus</i> intermolecular interactions in an overcrowded naphthalene","IUCrJ","2017","4","1","","","10.1107/S205225251601808X","","x-ray","0.71073","MoKα","","0.042","0.025","","","","0.048","","","","","","1.004","","","","has coordinates","188987","2020-10-21","18:00:00",""
"1544751","17.8087","0.0005","11.3207","0.0003","17.3127","0.0005","90","","90","","90","","3490.36","0.17","100","2","100","2","","","","","","","","6","P c a 21","P 2c -2ac","29","Compound 5","[SiP(iPr)2P(NMe)]FeNH2","","- C35 H53 Fe N2 P3 Si -","- C35 H53 Fe N2 P3 Si -","- C140 H212 Fe4 N8 P12 Si4 -","4","1","","Creutz, Sidney E.; Peters, Jonas C.","Exploring secondary-sphere interactions in Fe-N x H y complexes relevant to N2 fixation.","Chemical science","2017","8","3","2321","2328","10.1039/c6sc04805f","","","0.71073","MoKα","","0.0571","0.0393","","","0.0784","0.0845","","","","","","1.034","","","","has coordinates,has disorder","196367","2020-10-21","18:00:00",""
"1544752","13.454","0.005","10.208","0.004","32.264","0.014","90","","90.86","0.008","90","","4431","3","100","2","100","2","","","","","","","","8","P 1 21/c 1","-P 2ybc","14","Compound 6","{[SiP(iPr)2P(NMe)]FeN2}{Na(THF)2}","","- C43 H65 Fe N3 Na O2 P3 Si -","- C43 H65 Fe N3 Na O2 P3 Si -","- C172 H260 Fe4 N12 Na4 O8 P12 Si4 -","4","1","","Creutz, Sidney E.; Peters, Jonas C.","Exploring secondary-sphere interactions in Fe-N x H y complexes relevant to N2 fixation.","Chemical science","2017","8","3","2321","2328","10.1039/c6sc04805f","","","0.71073","MoKα","","0.1237","0.086","","","0.1956","0.2116","","","","","","1.055","","","","has coordinates","196367","2020-10-21","18:00:00",""
"1544753","13.2134","0.0006","16.5453","0.0008","19.1158","0.0009","107.944","0.003","103.367","0.003","104.913","0.003","3616.2","0.3","100","2","100","2","","","","","","","","9","P -1","-P 1","2","Compound 3","{[SiP(iPr)2P(NMe)]FeNH3}{BArF4}","","- C69 H71 B F24 Fe N2 O0.5 P3 Si -","- C69 H71 B F24 Fe N2 O0.5 P3 Si -","- C138 H142 B2 F48 Fe2 N4 O P6 Si2 -","2","1","","Creutz, Sidney E.; Peters, Jonas C.","Exploring secondary-sphere interactions in Fe-N x H y complexes relevant to N2 fixation.","Chemical science","2017","8","3","2321","2328","10.1039/c6sc04805f","","","1.54178","CuKα","","0.1025","0.069","","","0.1612","0.1811","","","","","","1.014","","","","has coordinates,has disorder","196367","2020-10-21","18:00:00",""
"1544754","16.278","0.003","12.177","0.002","24.314","0.004","90","","90.733","0.005","90","","4819.1","1.4","100","2","100","2","","","","","","","","8","P 1 21/c 1","-P 2ybc","14","Compound 6'","{[SiP(NMe)3]FeN2}{Na(THF)3}","","- C45 H69 Fe N5 Na O3 P3 Si -","- C45 H69 Fe N5 Na O3 P3 Si -","- C180 H276 Fe4 N20 Na4 O12 P12 Si4 -","4","1","","Creutz, Sidney E.; Peters, Jonas C.","Exploring secondary-sphere interactions in Fe-N x H y complexes relevant to N2 fixation.","Chemical science","2017","8","3","2321","2328","10.1039/c6sc04805f","","","0.71073","MoKα","","0.0996","0.0879","","","0.2229","0.2294","","","","","","1.173","","","","has coordinates","196367","2020-10-21","18:00:00",""
"1544755","10.4778","0.001","17.2329","0.0017","20.001","0.002","92.885","0.004","96.497","0.003","98.431","0.003","3541.2","0.6","100","2","100","2","","","","","","","","6","P -1","-P 1","2","","[SiP(iPr)2P(NMe)]Fe(N2)(H)","","- C35 H53 Fe N3 P3 Si -","- C35 H52 Fe N3 P3 Si -","- C140 H208 Fe4 N12 P12 Si4 -","4","2","","Creutz, Sidney E.; Peters, Jonas C.","Exploring secondary-sphere interactions in Fe-N x H y complexes relevant to N2 fixation.","Chemical science","2017","8","3","2321","2328","10.1039/c6sc04805f","","","0.71073","MoKα","","0.0458","0.0358","","","0.0832","0.0883","","","","","","1.021","","","","has coordinates,has disorder","217633","2020-10-21","18:00:00",""
"1544756","12.6269","0.0013","16.1557","0.0017","20.397","0.002","86.951","0.005","77.672","0.005","72.605","0.005","3878.8","0.7","100","2","100","2","","","","","","","","9","P -1","-P 1","2","Compound 4","{]SiP(iPr)2P(NMe)]FeN2H4}{BArF4}","","- C73 H82 B F24 Fe N3 O1.5 P3 Si -","- C73 H82 B F24 Fe N3 O1.5 P3 Si -","- C146 H164 B2 F48 Fe2 N6 O3 P6 Si2 -","2","1","","Creutz, Sidney E.; Peters, Jonas C.","Exploring secondary-sphere interactions in Fe-N x H y complexes relevant to N2 fixation.","Chemical science","2017","8","3","2321","2328","10.1039/c6sc04805f","","","0.71073","MoKα","","0.0743","0.0552","","","0.1576","0.175","","","","","","1.021","","","","has coordinates,has disorder","196367","2020-10-21","18:00:00",""
"1544757","24.918","0.006","16.256","0.004","12.349","0.003","90","","90","","90","","5002","2","270","2","200","2","","","","","","","","8","P n m a","-P 2ac 2n","62","Compound 6'","{[SiP(NMe)3]FeN2}{Na(THF)3}","","- C45 H69 Fe N5 Na O3 P3 Si -","- C45 H70 Fe N5 Na O3 P3 Si -","- C180 H280 Fe4 N20 Na4 O12 P12 Si4 -","4","0.5","","Creutz, Sidney E.; Peters, Jonas C.","Exploring secondary-sphere interactions in Fe-N x H y complexes relevant to N2 fixation.","Chemical science","2017","8","3","2321","2328","10.1039/c6sc04805f","","","0.71073","MoKα","","0.1078","0.0699","","","0.1665","0.1863","","","","","","1.094","","","","has coordinates,has disorder","196367","2020-10-21","18:00:00",""
"1544758","38.962","0.002","11.0406","0.0006","18.1487","0.0009","90","","90","","90","","7806.9","0.7","293","2","100","2","","","","","","","","7","P n a 21","P 2c -2n","33","Compound 1'","[SiP(NMe)3]FeCl","","- C39 H51 Cl Fe N3 P3 Si -","- C39 H47 Cl Fe N3 P3 Si -","- C312 H376 Cl8 Fe8 N24 P24 Si8 -","8","2","","Creutz, Sidney E.; Peters, Jonas C.","Exploring secondary-sphere interactions in Fe-N x H y complexes relevant to N2 fixation.","Chemical science","2017","8","3","2321","2328","10.1039/c6sc04805f","","","0.71073","MoKα","","0.0532","0.0481","","","0.1089","0.1108","","","","","","1.158","","","","has coordinates","214153","2020-10-21","18:00:00",""
"1544759","10.6457","0.0005","19.2443","0.0009","16.2208","0.0008","90","","91.27","0.003","90","","3322.3","0.3","100","2","100","2","","","","","","","","7","P 1 21 1","P 2yb","4","Compound 2'","[SiP(NMe)3]FeN2","","- C33 H45 Cl0 Fe N5 P3 Si -","- C33 H45 Fe N5 P3 Si -","- C132 H180 Fe4 N20 P12 Si4 -","4","2","","Creutz, Sidney E.; Peters, Jonas C.","Exploring secondary-sphere interactions in Fe-N x H y complexes relevant to N2 fixation.","Chemical science","2017","8","3","2321","2328","10.1039/c6sc04805f","","","0.71073","MoKα","","0.0501","0.0461","","","0.1121","0.1145","","","","","","1.1","","","","has coordinates","196367","2020-10-21","18:00:00",""
"1544760","17.5105","0.0012","20.6792","0.0014","22.9097","0.0016","102.798","0.003","94.824","0.003","111.77","0.003","7385","0.9","100","2","100","2","","","","","","","","9","P -1","-P 1","2","Compound 3'","{[SiP(NMe)3]FeNH3}{BArF4}","","- C69 H70 B F24 Fe N4 O P3 Si -","- C69 H70 B F24 Fe N4 O P3 Si -","- C276 H280 B4 F96 Fe4 N16 O4 P12 Si4 -","4","2","","Creutz, Sidney E.; Peters, Jonas C.","Exploring secondary-sphere interactions in Fe-N x H y complexes relevant to N2 fixation.","Chemical science","2017","8","3","2321","2328","10.1039/c6sc04805f","","","0.71073","MoKα","","0.0929","0.0549","","","0.1287","0.1496","","","","","","1.014","","","","has coordinates,has disorder","196367","2020-10-21","18:00:00",""
"1544761","17.2096","0.0002","31.3584","0.0004","50.5444","0.0006","90","","90","","90","","27277.1","0.6","173","2","173","2","","","","","","","","7","P c a 21","P 2c -2ac","29","","","","- C142 H160 Er5 F90 N47 O100 S30 -","- C142 H160 Er5 F90 N47 O100 S30 -","- C568 H640 Er20 F360 N188 O400 S120 -","4","1","","Prodius, D.; Smetana, V.; Steinberg, S.; Wilk-Kozubek, M.; Mudryk, Y.; Pecharsky, V. K.; Mudring, A.-V.","Breaking the paradigm: record quindecim charged magnetic ionic liquids","Mater. Horiz.","2017","4","2","217","","10.1039/C6MH00468G","","","0.71073","MoKα","","0.0783","0.0613","","","0.1536","0.164","","","","","","1.016","","","","has coordinates","195193","2020-10-21","18:00:00",""
"1544776","31.425","0.006","9.0156","0.0018","34.41","0.005","90","","147.193","0.008","90","","5282","2","297","","297","","","","","","","","","7","C 1 2/c 1","-C 2yc","15","RuCl(NCO)(DMSO)(Pic)","Ru WOCs","","- C41 H52 Cl8 N8 O6 Ru2 S2 -","- C41 H52 Cl8 N8 O6 Ru2 S2 -","- C164 H208 Cl32 N32 O24 Ru8 S8 -","4","0.5","","Su, Wei; Younus, Hussein A.; Zhou, Kui; Khattak, Zafar A. K.; Chaemcheun, Somboon; Chen, Cheng; Verpoort, Francis","Chemical and photochemical water oxidation catalyzed by novel ruthenium complexes comprising a negatively charged NCNHCO ligand","Catal. Sci. Technol.","2017","7","2","387","","10.1039/C6CY02333A","","","0.71073","MoKα","","0.0683","0.0636","","","0.1487","0.1517","","","","","","1.233","","","","has coordinates","191453","2020-10-21","18:00:00",""
"1544780","13.0201","0.0018","13.0201","0.0018","13.1802","0.0019","90","","90","","90","","2234.3","0.5","173","2","173","2","","","","","","","","5","P 4 c c","P 4 -2c","103","","","","- C16 H32.72 N4 O12.36 Zr -","- C16 H28.52 N4 O12.36 Zr -","- C64 H114.08 N16 O49.44 Zr4 -","4","0.5","","Pandya, Darpan N.; Bhatt, Nikunj; Yuan, Hong; Day, Cynthia S.; Ehrmann, Brandie M.; Wright, Marcus; Bierbach, Ulrich; Wadas, Thaddeus J.","Zirconium tetraazamacrocycle complexes display extraordinary stability and provide a new strategy for zirconium-89-based radiopharmaceutical development.","Chemical science","2017","8","3","2309","2314","10.1039/c6sc04128k","","","0.71073","MoKα","","0.05","0.0432","","","0.1061","0.1119","","","","","","1.067","","","","has coordinates,has disorder","196359","2020-10-21","18:00:00",""
"1544782","36.662","0.003","37.055","0.004","5.1092","0.0005","90","","90","","90","","6940.9","1.2","100","2","100","2","","","","","","","","6","F d d 2","F 2 -2d","43","","","","- C30 H30 N4 O2 S2 Zn -","- C30 H30 N4 O2 S2 Zn -","- C240 H240 N32 O16 S16 Zn8 -","8","0.5","","Mulijanto, Caroline Evania; Quah, Hong Sheng; Tan, Geok Kheng; Donnadieu, Bruno; Vittal, Jagadese J.","Curved crystal morphology, photoreactivity and photosalient behaviour of mononuclear Zn(II) complexes","IUCrJ","2017","4","1","","","10.1107/S2052252516019072","","","0.71073","MoKα","","0.1057","0.0887","","","0.2644","0.2832","","","","","","1.186","","","","has coordinates,has disorder","189498","2020-10-21","18:00:00",""
"1544783","14.871","0.002","4.9627","0.0009","20.315","0.003","90","","93.183","0.004","90","","1496.9","0.4","100","2","100","2","","","","","","","","7","P 1 2/n 1","-P 2yac","13","","","","- C28 H26 F2 N4 O6 S2 Zn -","- C35.5 H20 F2 N4 S2 Zn -","- C71 H40 F4 N8 S4 Zn2 -","2","0.5","","Mulijanto, Caroline Evania; Quah, Hong Sheng; Tan, Geok Kheng; Donnadieu, Bruno; Vittal, Jagadese J.","Curved crystal morphology, photoreactivity and photosalient behaviour of mononuclear Zn(II) complexes","IUCrJ","2017","4","1","","","10.1107/S2052252516019072","","","0.71073","MoKα","","0.1452","0.0645","","","0.1408","0.1804","","","","","","0.937","","","","has coordinates","189133","2020-10-21","18:00:00",""
"1544784","10.3095","0.0004","12.2083","0.0004","20.7566","0.0007","90","","96.68","0.001","90","","2594.72","0.16","100","2","100","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C28 H20 F2 N4 S2 Zn -","- C28 H20 F2 N4 S2 Zn -","- C112 H80 F8 N16 S8 Zn4 -","4","1","","Mulijanto, Caroline Evania; Quah, Hong Sheng; Tan, Geok Kheng; Donnadieu, Bruno; Vittal, Jagadese J.","Curved crystal morphology, photoreactivity and photosalient behaviour of mononuclear Zn(II) complexes","IUCrJ","2017","4","1","","","10.1107/S2052252516019072","","","0.71073","MoKα","","0.0476","0.0361","","","0.0851","0.091","","","","","","1.027","","","","has coordinates,has disorder","189133","2020-10-21","18:00:00",""
"1544785","8.276","0.005","24.824","0.015","12.523","0.008","90","","90","","90","","2573","3","100","2","100","2","","","","","","","","6","P n m a","-P 2ac 2n","62","","","","- C28 H20 F2 N4 S2 Zn -","- C28 H20 F2 N4 S2 Zn -","- C112 H80 F8 N16 S8 Zn4 -","4","0.5","","Mulijanto, Caroline Evania; Quah, Hong Sheng; Tan, Geok Kheng; Donnadieu, Bruno; Vittal, Jagadese J.","Curved crystal morphology, photoreactivity and photosalient behaviour of mononuclear Zn(II) complexes","IUCrJ","2017","4","1","","","10.1107/S2052252516019072","","","0.71073","MoKα","","0.0483","0.0431","","","0.107","0.1098","","","","","","1.083","","","","has coordinates,has disorder","189133","2020-10-21","18:00:00",""
"1544786","12.2584","0.0007","10.9135","0.0006","21.9058","0.0013","90","","104.66","0.0018","90","","2835.2","0.3","100","","100","","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","(OC-6-44)-Diamminedichloridomethoxido[2-(2,5-dioxo-2,5-dihydro-1H-pyrrol-1-yl)ethylcarbamato]platinum(IV)","","- C8 H16 Cl2 N4 O5 Pt -","- C8 H16 Cl2 N4 O5 Pt -","- C64 H128 Cl16 N32 O40 Pt8 -","8","2","","Mayr, Josef; Heffeter, Petra; Groza, Diana; Galvez, Luis; Koellensperger, Gunda; Roller, Alexander; Alte, Beatrix; Haider, Melanie; Berger, Walter; Kowol, Christian R.; Keppler, Bernhard K.","An albumin-based tumor-targeted oxaliplatin prodrug with distinctly improved anticancer activity in vivo","Chem. Sci.","2017","8","3","2241","","10.1039/C6SC03862J","","","0.71073","MoKα","","0.0281","0.0218","","","0.0429","0.0443","","","","","","1.147","","","","has coordinates","193731","2020-10-21","18:00:00",""
"1544787","27.345","0.005","10.1753","0.0011","12.3345","0.0013","90","","101.328","0.005","90","","3365.1","0.8","100","","100","","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","(OC-6-44)-Acetatodiamminedichlorido[2-(2,5-dioxopyrrolidin-1-yl)ethyl)carbamato]platinum(IV)","","- C9 H20 Cl2 N4 O7 Pt -","- C9 H20 Cl2 N4 O7 Pt -","- C72 H160 Cl16 N32 O56 Pt8 -","8","1","","Mayr, Josef; Heffeter, Petra; Groza, Diana; Galvez, Luis; Koellensperger, Gunda; Roller, Alexander; Alte, Beatrix; Haider, Melanie; Berger, Walter; Kowol, Christian R.; Keppler, Bernhard K.","An albumin-based tumor-targeted oxaliplatin prodrug with distinctly improved anticancer activity in vivo","Chem. Sci.","2017","8","3","2241","","10.1039/C6SC03862J","","","0.71073","MoKα","","0.0263","0.0241","","","0.0638","0.067","","","","","","1.089","","","","has coordinates","193731","2020-10-21","18:00:00",""
"1544788","29.4745","0.0004","35.8121","0.0005","48.4263","0.0007","86.379","0.001","75.637","0.001","74.164","0.001","47638.4","1.2","150.15","","150.15","","","","","","","","","5","P -1","-P 1","2","","","","- C697 H897 Ag115 P12 S81 -","- C697 H897 Ag115 P12 S81 -","- C1394 H1794 Ag230 P24 S162 -","2","1","","Bestgen, Sebastian; Fuhr, Olaf; Breitung, Ben; Kiran Chakravadhanula, Venkata Sei; Guthausen, Gisela; Hennrich, Frank; Yu, Wen; Kappes, Manfred M.; Roesky, Peter W.; Fenske, Dieter","[Ag115S34(SCH2C6H4tBu)47(dpph)6]: synthesis, crystal structure and NMR investigations of a soluble silver chalcogenide nanocluster","Chem. Sci.","2017","8","3","2235","","10.1039/C6SC04578B","","x-ray","1.54178","CuKα","","0.186","0.1217","","","0.3358","0.3793","","","","","","1.158","","","","has coordinates,has disorder","193735","2020-10-21","18:00:00",""
"1544795","6.9126","0.0014","7.6578","0.0015","31.895","0.006","90","","92.22","0.03","90","","1687.1","0.6","296","2","296","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","cis-dioxo(2-(N-(salicylidene)amino)-4-methylphenolato-N,O,O')-(methanol)-molybdenum(VI)","","","- C16 H19 Mo N O6 -","- C16 H19 Mo N O6 -","- C64 H76 Mo4 N4 O24 -","4","1","","Cindrić, Marina; Pavlović, Gordana; Katava, Robert; Agustin, Dominique","Towards a global greener process: from solvent-less synthesis of molybdenum(vi) ONO Schiff base complexes to catalyzed olefin epoxidation under organic-solvent-free conditions","New J. Chem.","2017","41","2","594","","10.1039/C6NJ03174A","","","0.71073","MoKα","","0.0486","0.0321","","","0.0645","0.0699","","","","","","1.045","","","","has coordinates,has disorder","191701","2020-10-21","18:00:00",""
"1544796","8.7538","0.0005","10.0269","0.0005","10.7193","0.0006","97.063","0.004","111.466","0.005","95.831","0.004","857.95","0.09","296","2","296","2","","","","","","","","5","P -1","-P 1","2","","cis-dioxo(2-(N-(salicylidene)amino)-5-methylphenolato-N,O,O')-(methanol)-molybdenum(VI)","","- C16 H19 Mo N O6 -","- C16 H19 Mo N O6 -","- C32 H38 Mo2 N2 O12 -","2","1","","Cindrić, Marina; Pavlović, Gordana; Katava, Robert; Agustin, Dominique","Towards a global greener process: from solvent-less synthesis of molybdenum(vi) ONO Schiff base complexes to catalyzed olefin epoxidation under organic-solvent-free conditions","New J. Chem.","2017","41","2","594","","10.1039/C6NJ03174A","","","0.71073","MoKα","","0.0414","0.0281","","","0.0574","0.0593","","","","","","0.924","","","","has coordinates","191701","2020-10-21","18:00:00",""
"1544797","19.61","0.0007","7.5974","0.0004","12.7835","0.0005","90","","102.179","0.004","90","","1861.68","0.14","296","2","296","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","cis-dioxo(2-(N-(3-methoxysalicyliden)amino)-5-methylphenolato-N,O,O')-(methanol)-molybdenum(VI)","","- C17 H21 Mo N O7 -","- C17 H21 Mo N O7 -","- C68 H84 Mo4 N4 O28 -","4","1","","Cindrić, Marina; Pavlović, Gordana; Katava, Robert; Agustin, Dominique","Towards a global greener process: from solvent-less synthesis of molybdenum(vi) ONO Schiff base complexes to catalyzed olefin epoxidation under organic-solvent-free conditions","New J. Chem.","2017","41","2","594","","10.1039/C6NJ03174A","","","0.71073","MoKα","","0.0504","0.0303","","","0.0709","0.0744","","","","","","0.894","","","","has coordinates","191701","2020-10-21","18:00:00",""
"1544798","7.6444","0.0005","9.9107","0.0005","11.0535","0.0006","72.13","0.005","82.196","0.005","88.111","0.005","789.61","0.08","296","2","296","2","","","","","","","","5","P -1","-P 1","2","","cis-dioxo(2-(N-(2-oxonapht-1-yl)methylamino)phenolato-N,O,O')-(methanol)-molybdenum(VI)","","- C18 H15 Mo N O5 -","- C18 H15 Mo N O5 -","- C36 H30 Mo2 N2 O10 -","2","1","","Cindrić, Marina; Pavlović, Gordana; Katava, Robert; Agustin, Dominique","Towards a global greener process: from solvent-less synthesis of molybdenum(vi) ONO Schiff base complexes to catalyzed olefin epoxidation under organic-solvent-free conditions","New J. Chem.","2017","41","2","594","","10.1039/C6NJ03174A","","","0.71073","MoKα","","0.0278","0.0229","","","0.0643","0.0653","","","","","","1.052","","","","has coordinates","191701","2020-10-21","18:00:00",""
"1544799","7.9476","0.0013","14.9809","0.0014","16.765","0.003","90","","96.268","0.019","90","","1984.1","0.5","296","2","296","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","cis-dioxo(2-(N-(2-oxonapht-1-yl)methylamino)-5-methylphenolato-N,O,O')-(methanol)-molybdenum(VI)","","- C20 H21 Mo N O6 -","- C20 H21 Mo N O6 -","- C80 H84 Mo4 N4 O24 -","4","1","","Cindrić, Marina; Pavlović, Gordana; Katava, Robert; Agustin, Dominique","Towards a global greener process: from solvent-less synthesis of molybdenum(vi) ONO Schiff base complexes to catalyzed olefin epoxidation under organic-solvent-free conditions","New J. Chem.","2017","41","2","594","","10.1039/C6NJ03174A","","","0.71073","MoKα","","0.0841","0.0393","","","0.0738","0.0811","","","","","","0.85","","","","has coordinates","191701","2020-10-21","18:00:00",""
"1544802","11.379","0.0006","22.2822","0.0012","16.4411","0.0009","90","","107.567","0.004","90","","3974.2","0.4","173","2","173","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C35 H32 B2 Cl F18 N3 -","- C35 H32 B2 Cl F18 N3 -","- C140 H128 B8 Cl4 F72 N12 -","4","1","","Swarnakar, Anindya K.; Hering-Junghans, Christian; Ferguson, Michael J.; McDonald, Robert; Rivard, Eric","Reactivity of a coordinated inorganic acetylene unit, HBNH, and the azidoborane cation [HB(N3)]().","Chemical science","2017","8","3","2337","2343","10.1039/c6sc04893e","","","1.54178","CuKα","","0.087","0.0762","","","0.2005","0.212","","","","","","1.047","","","","has coordinates","196366","2020-10-21","18:00:00",""
"1544803","12.936","0.0004","18.7832","0.0006","41.0326","0.0012","90","","94.5442","0.0015","90","","9938.7","0.5","173","2","173","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C46 H51 B2 F18 N5 -","- C46 H51 B2 F18 N5 -","- C368 H408 B16 F144 N40 -","8","1","","Swarnakar, Anindya K.; Hering-Junghans, Christian; Ferguson, Michael J.; McDonald, Robert; Rivard, Eric","Reactivity of a coordinated inorganic acetylene unit, HBNH, and the azidoborane cation [HB(N3)]().","Chemical science","2017","8","3","2337","2343","10.1039/c6sc04893e","","","1.54178","CuKα","","0.0613","0.0543","","","0.139","0.1447","","","","","","1.037","","","","has coordinates,has disorder","196366","2020-10-21","18:00:00",""
"1544804","9.3972","0.0002","12.2337","0.0003","16.8072","0.0004","73.1735","0.001","77.1382","0.0011","68.1258","0.001","1701.94","0.07","173","2","173","2","","","","","","","","7","P -1","-P 1","2","","","","- C31 H39.5 B F3.5 N5 O3 S -","- C31 H39.5 B F3.5 N5 O3 S -","- C62 H79 B2 F7 N10 O6 S2 -","2","1","","Swarnakar, Anindya K.; Hering-Junghans, Christian; Ferguson, Michael J.; McDonald, Robert; Rivard, Eric","Reactivity of a coordinated inorganic acetylene unit, HBNH, and the azidoborane cation [HB(N3)]().","Chemical science","2017","8","3","2337","2343","10.1039/c6sc04893e","","","1.54178","CuKα","","0.0461","0.0434","","","0.1229","0.1255","","","","","","1.063","","","","has coordinates,has disorder","196366","2020-10-21","18:00:00",""
"1544805","13.5787","0.0003","12.2769","0.0002","11.1774","0.0002","90","","90","","90","","1863.32","0.06","173","2","173","2","","","","","","","","7","C m c 21","C 2c -2","36","","","","- C12 H21 B F3 N5 O3 S -","- C12 H21 B F3 N5 O3 S -","- C48 H84 B4 F12 N20 O12 S4 -","4","0.5","","Swarnakar, Anindya K.; Hering-Junghans, Christian; Ferguson, Michael J.; McDonald, Robert; Rivard, Eric","Reactivity of a coordinated inorganic acetylene unit, HBNH, and the azidoborane cation [HB(N3)]().","Chemical science","2017","8","3","2337","2343","10.1039/c6sc04893e","","","1.54178","CuKα","","0.0702","0.0684","","","0.1904","0.194","","","","","","1.061","","","","has coordinates,has disorder","196366","2020-10-21","18:00:00",""
"1544806","12.6084","0.0003","19.7795","0.0006","24.1204","0.0006","90","","90","","90","","6015.3","0.3","173","2","173","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C54 H53 B2 F24 N7 -","- C54 H53 B2 F24 N7 -","- C216 H212 B8 F96 N28 -","4","1","","Swarnakar, Anindya K.; Hering-Junghans, Christian; Ferguson, Michael J.; McDonald, Robert; Rivard, Eric","Reactivity of a coordinated inorganic acetylene unit, HBNH, and the azidoborane cation [HB(N3)]().","Chemical science","2017","8","3","2337","2343","10.1039/c6sc04893e","","","1.54178","CuKα","","0.0489","0.048","","","0.1325","0.1337","","","","","","1.045","","","","has coordinates,has disorder","196366","2020-10-21","18:00:00",""
"1544807","25.1883","0.0019","12.192","0.0009","26.4276","0.0018","90","","98.253","0.003","90","","8031.8","1","173","2","173","2","","","","","","","","6","I 1 2/a 1","-I 2ya","15","","","","- C35.38 H33.75 B2 Cl0.75 F18 N3 -","- C35.375 H33.75 B2 Cl0.75 F18 N3 -","- C283 H270 B16 Cl6 F144 N24 -","8","1","","Swarnakar, Anindya K.; Hering-Junghans, Christian; Ferguson, Michael J.; McDonald, Robert; Rivard, Eric","Reactivity of a coordinated inorganic acetylene unit, HBNH, and the azidoborane cation [HB(N3)]().","Chemical science","2017","8","3","2337","2343","10.1039/c6sc04893e","","","1.54178","CuKα","","0.0642","0.0608","","","0.16","0.1632","","","","","","1.062","","","","has coordinates,has disorder","196366","2020-10-21","18:00:00",""
"1544808","12.2423","0.0002","22.642","0.0004","14.6138","0.0002","90","","92.7542","0.0011","90","","4046.12","0.11","173","2","173","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C38.5 H35 B2 F18 N3 -","- C35 H31 B2 F18 N3 -","- C140 H124 B8 F72 N12 -","4","1","","Swarnakar, Anindya K.; Hering-Junghans, Christian; Ferguson, Michael J.; McDonald, Robert; Rivard, Eric","Reactivity of a coordinated inorganic acetylene unit, HBNH, and the azidoborane cation [HB(N3)]().","Chemical science","2017","8","3","2337","2343","10.1039/c6sc04893e","","","1.54178","CuKα","","0.0802","0.0633","","","0.1762","0.1957","","","","","","1.058","","","","has coordinates,has disorder","196366","2020-10-21","18:00:00",""
"1544809","7.543","0.001","11.336","0.002","11.424","0.002","63.483","0.003","89.755","0.004","88.763","0.004","873.9","0.2","200","2","200","2","","","","","","","","7","P -1","-P 1","2","","","","- C14 H24 F6 Fe N24 O6 S2 -","- C14 H24 F6 Fe N24 O6 S2 -","- C14 H24 F6 Fe N24 O6 S2 -","1","0.5","","Urtizberea, A.; Roubeau, O.","Switchable slow relaxation of magnetization in the native low temperature phase of a cooperative spin-crossover compound.","Chemical science","2017","8","3","2290","2295","10.1039/c6sc04737h","","","0.7749","synchrotron","","0.0652","0.0509","","","0.1353","0.1457","","","","","","1.048","","","","has coordinates,has disorder","196371","2020-10-21","18:00:00",""
"1544810","19.724","0.004","19.724","0.004","45.031","0.009","90","","90","","120","","15172","5","84","2","85","2","","","","","","","","7","R -3 :H","-R 3","148","","","","- C14 H24 F6 Fe N24 O6 S2 -","- C14 H24 F6 Fe N24 O6 S2 -","- C252 H432 F108 Fe18 N432 O108 S36 -","18","1","","Urtizberea, A.; Roubeau, O.","Switchable slow relaxation of magnetization in the native low temperature phase of a cooperative spin-crossover compound.","Chemical science","2017","8","3","2290","2295","10.1039/c6sc04737h","","","0.7749","synchrotron","","0.0609","0.0403","","","0.094","0.1087","","","","","","1.082","","","","has coordinates","196371","2020-10-21","18:00:00",""
"1544811","10.453","0.004","4.7776","0.0016","12.787","0.005","90","","91.545","0.006","90","","638.4","0.4","173.15","","173.15","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C14 H6 Br2 F4 -","- C14 H6 Br2 F4 -","- C28 H12 Br4 F8 -","2","0.5","","Zhang, Weifeng; Mao, Zupan; Chen, Zhihui; Huang, Jianyao; Wei, Congyuan; Gao, Dong; Lin, Zuzhang; Li, Hao; Wang, Liping; Yu, Gui","Ambipolar tetrafluorodiphenylethene-based donor‒acceptor copolymers: synthesis, properties, backbone conformation and fluorine-induced conformational locks","Polym. Chem.","2017","8","5","879","","10.1039/C6PY01922F","","","0.71073","MoKα","","0.0332","0.0308","","","0.0721","0.0733","","","","","","1.147","","","","has coordinates","191767","2020-10-21","18:00:00",""
"1544812","18.983","0.007","6.635","0.002","28.718","0.011","90","","101.14","0.004","90","","3549","2","173.15","","173.15","","","","","","","","","4","C 1 2 1","C 2y","5","","","","- C22 H12 F4 S2 -","- C22 H12 F4 S2 -","- C176 H96 F32 S16 -","8","2","","Zhang, Weifeng; Mao, Zupan; Chen, Zhihui; Huang, Jianyao; Wei, Congyuan; Gao, Dong; Lin, Zuzhang; Li, Hao; Wang, Liping; Yu, Gui","Ambipolar tetrafluorodiphenylethene-based donor‒acceptor copolymers: synthesis, properties, backbone conformation and fluorine-induced conformational locks","Polym. Chem.","2017","8","5","879","","10.1039/C6PY01922F","","","0.71073","MoKα","","0.0526","0.0488","","","0.0999","0.1027","","","","","","1.106","","","","has coordinates,has disorder","191767","2020-10-21","18:00:00",""
"1544813","6.538","0.003","22.32","0.009","17.876","0.007","90","","95.624","0.005","90","","2596.1","1.9","173","","173","","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C33 H18 F6 S3 -","- C33 H18 F6 S3 -","- C132 H72 F24 S12 -","4","1","","Zhang, Weifeng; Mao, Zupan; Chen, Zhihui; Huang, Jianyao; Wei, Congyuan; Gao, Dong; Lin, Zuzhang; Li, Hao; Wang, Liping; Yu, Gui","Ambipolar tetrafluorodiphenylethene-based donor‒acceptor copolymers: synthesis, properties, backbone conformation and fluorine-induced conformational locks","Polym. Chem.","2017","8","5","879","","10.1039/C6PY01922F","","","0.71073","MoKα","","0.1579","0.1478","","","0.3519","0.3586","","","","","","1.173","","","","has coordinates,has disorder","191767","2020-10-21","18:00:00",""
"1544814","10.2447","0.0006","8.1822","0.0004","16.059","0.0008","90","","100.634","0.002","90","","1323.01","0.12","293","2","293","2","","","","","","","","3","P 1 21 1","P 2yb","4","","","","- C15 H18 O5 -","- C15 H18 O5 -","- C60 H72 O20 -","4","2","","Li, Hong-Lei; Li, Xiao-Ming; Li, Xin; Wang, Chen-Yin; Liu, Hui; Kassack, Matthias U.; Meng, Ling-Hong; Wang, Bin-Gui","Antioxidant Hydroanthraquinones from the Marine Algal-Derived Endophytic Fungus Talaromyces islandicus EN-501.","Journal of natural products","2017","80","1","162","168","10.1021/acs.jnatprod.6b00797","","","1.54178","CuKα","","0.0555","0.0454","","","0.1104","0.1203","","","","","","1.047","","","","has coordinates","191355","2020-10-21","18:00:00",""
"1544815","6.1006","0.0001","15.0443","0.0002","16.0425","0.0002","90","","90","","90","","1472.37","0.04","100","2","100","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C17 H18 O6 -","- C17 H18 O6 -","- C68 H72 O24 -","4","1","","Luo, Qi; Wei, Xiao-Yi; Yang, Jing; Luo, Jin-Feng; Liang, Rui; Tu, Zheng-Chao; Cheng, Yong-Xian","Spiro Meroterpenoids from Ganoderma applanatum.","Journal of natural products","2017","80","1","61","70","10.1021/acs.jnatprod.6b00431","","","1.54178","CuKα","","0.0274","0.0274","","","0.0711","0.0711","","","","","","1.056","","","","has coordinates","191356","2020-10-21","18:00:00",""
"1544822","8.2","0.0008","12.4012","0.0012","21.182","0.002","90","","90","","90","","2154","0.4","293","2","293","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C14 H10 N2 O2 -","- C14 H10 N2 O2 -","- C112 H80 N16 O16 -","8","1","","Barsu, Nagaraju; Bolli, Shyam Kumar; Sundararaju, Basker","Cobalt catalyzed carbonylation of unactivated C(sp(3))-H bonds.","Chemical science","2017","8","3","2431","2435","10.1039/c6sc05026c","","","0.71073","MoKα","","0.1398","0.0595","","","0.0968","0.1205","","","","","","1.038","","","","has coordinates","196363","2020-10-21","18:00:00",""
"1544823","8.73","0.005","13.396","0.005","11.372","0.005","90","0.005","101.968","0.005","90","0.005","1301","1.1","293","2","293","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","succinimide-piv","","- C15 H14 N2 O2 -","- C15 H14 N2 O2 -","- C60 H56 N8 O8 -","4","1","","Barsu, Nagaraju; Bolli, Shyam Kumar; Sundararaju, Basker","Cobalt catalyzed carbonylation of unactivated C(sp(3))-H bonds.","Chemical science","2017","8","3","2431","2435","10.1039/c6sc05026c","","","0.71073","MoKα","","0.1086","0.057","","","0.1253","0.1411","","","","","","1.047","","","","has coordinates","196363","2020-10-21","18:00:00",""
"1544824","13.9364","0.0002","13.9364","0.0002","34.5285","0.0007","90","","90","","90","","6706.24","0.19","296","2","296","2","","","","","","","","5","P 43","P 4cw","78","","","","- C66 H52 Cl12 N2 O4 -","- C66 H52 Cl12 N2 O4 -","- C264 H208 Cl48 N8 O16 -","4","1","","Nagarajan, Kalaivanan; Mallia, Ajith R.; Muraleedharan, Keerthi; Hariharan, Mahesh","Enhanced intersystem crossing in core-twisted aromatics","Chem. Sci.","2017","8","3","1776","","10.1039/C6SC05126J","","","0.71073","MoKα","","0.1013","0.073","","","0.2046","0.2326","","","","","","1.022","","","","has coordinates,has disorder","288471","2023-12-21","10:03:37",""
"1544825","11.4627","0.0005","11.8704","0.0005","15.645","0.0006","76.067","0.002","89.834","0.002","72.77","0.001","1968.03","0.14","296","2","296","2","","","","","","","","4","P -1","-P 1","2","","","","- C104 H86 N2 O4 -","- C104 H86 N2 O4 -","- C104 H86 N2 O4 -","1","0.5","","Nagarajan, Kalaivanan; Mallia, Ajith R.; Muraleedharan, Keerthi; Hariharan, Mahesh","Enhanced intersystem crossing in core-twisted aromatics","Chem. Sci.","2017","8","3","1776","","10.1039/C6SC05126J","","","0.71073","MoKα","","0.1469","0.0694","","","0.1717","0.2099","","","","","","1.025","","","","has coordinates","193748","2020-10-21","18:00:00",""
"1544826","6.3989","0.00008","11.27072","0.00015","19.0731","0.0003","90","","92.0107","0.0013","90","","1374.71","0.03","101","2","101","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C17 H17 N O -","- C17 H17 N O -","- C68 H68 N4 O4 -","4","1","","Kim, Jungwon; Hong, Soon Hyeok","Organocatalytic activation of isocyanides: N-heterocyclic carbene-catalyzed enaminone synthesis from ketones.","Chemical science","2017","8","3","2401","2406","10.1039/c6sc05266e","","x-ray","1.54184","CuKα","","0.0441","0.0411","","","0.1095","0.1128","","","","","","1.048","","","","has coordinates","196370","2020-10-21","18:00:00",""
"1544839","9.6525","0.0004","10.0128","0.0005","20.198","0.001","94.526","0.004","92.174","0.004","117.703","0.005","1716.78","0.16","293.26","0.1","293.26","0.1","","","","","","","","6","P -1","-P 1","2","","","","- C36 H42 N Na O9 S -","- C36 H42 N Na O9 S -","- C72 H84 N2 Na2 O18 S2 -","2","1","","Chen, Changjuan; Cui, Yaqin; Mao, Xiaoyang; Pan, Xiaobo; Wu, Jincai","Suppressing Cyclic Polymerization for Isoselective Synthesis of High-Molecular-Weight Linear Polylactide Catalyzed by Sodium/Potassium Sulfonamidate Complexes","Macromolecules","2017","50","1","83","","10.1021/acs.macromol.6b02271","","x-ray","0.71073","MoKα","","0.1019","0.0741","","","0.1714","0.1929","","","","","","1.02","","","","has coordinates,has disorder","191361","2020-10-21","18:00:00",""
"1544840","10.6133","0.0009","15.1843","0.0017","17.364","0.0016","107.939","0.009","92.806","0.008","93.558","0.008","2650.3","0.5","294.59","0.1","294.59","0.1","","","","","","","","6","P -1","-P 1","2","","","","- C54.5 H80 N Na O7 S -","- C54.5 H80 N Na O7 S -","- C109 H160 N2 Na2 O14 S2 -","2","1","","Chen, Changjuan; Cui, Yaqin; Mao, Xiaoyang; Pan, Xiaobo; Wu, Jincai","Suppressing Cyclic Polymerization for Isoselective Synthesis of High-Molecular-Weight Linear Polylactide Catalyzed by Sodium/Potassium Sulfonamidate Complexes","Macromolecules","2017","50","1","83","","10.1021/acs.macromol.6b02271","","x-ray","0.71","MoKα","","0.1589","0.077","","","0.1336","0.1674","","","","","","0.972","","","","has coordinates,has disorder","191361","2020-10-21","18:00:00",""
"1544841","10.9876","0.0005","12.4673","0.0007","18.4805","0.0012","76.475","0.005","86.282","0.005","88.815","0.004","2456.1","0.2","291.23","0.1","291.23","0.1","","","","","","","","6","P -1","-P 1","2","","","","- C47 H63 K N O9 S -","- C46.9993 H62.9992 K N O9 S -","- C93.9986 H125.998 K2 N2 O18 S2 -","2","1","","Chen, Changjuan; Cui, Yaqin; Mao, Xiaoyang; Pan, Xiaobo; Wu, Jincai","Suppressing Cyclic Polymerization for Isoselective Synthesis of High-Molecular-Weight Linear Polylactide Catalyzed by Sodium/Potassium Sulfonamidate Complexes","Macromolecules","2017","50","1","83","","10.1021/acs.macromol.6b02271","","x-ray","0.71073","MoKα","","0.0912","0.0627","","","0.1611","0.1816","","","","","","1.067","","","","has coordinates,has disorder","191361","2020-10-21","18:00:00",""
"1544842","10.7318","0.0008","16.846","0.0015","16.1244","0.0013","90","","91.924","0.007","90","","2913.5","0.4","293","0.1","293","0.1","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C29 H32 N2 Na O10 S -","- C29 H32 N2 Na O10 S -","- C116 H128 N8 Na4 O40 S4 -","4","1","","Chen, Changjuan; Cui, Yaqin; Mao, Xiaoyang; Pan, Xiaobo; Wu, Jincai","Suppressing Cyclic Polymerization for Isoselective Synthesis of High-Molecular-Weight Linear Polylactide Catalyzed by Sodium/Potassium Sulfonamidate Complexes","Macromolecules","2017","50","1","83","","10.1021/acs.macromol.6b02271","","x-ray","0.71073","MoKα","","0.0777","0.0534","","","0.1452","0.1687","","","","","","0.995","","","","has coordinates","191361","2020-10-21","18:00:00",""
"1544843","9.359","0.0008","10.6693","0.0009","27.872","0.002","90","","93.525","0.007","90","","2777.9","0.4","281.4","","281.4","","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C35 H28 N4 O -","- C35 H28 N4 O -","- C140 H112 N16 O4 -","4","1","","Gao, Meng; Su, Huifang; Lin, Yuhan; Ling, Xia; Li, Shiwu; Qin, Anjun; Tang, Ben Zhong","Photoactivatable aggregation-induced emission probes for lipid droplets-specific live cell imaging","Chem. Sci.","2017","8","3","1763","","10.1039/C6SC04842K","","","0.71073","MoKα","","0.0981","0.0525","","","0.1115","0.1375","","","","","","1.027","","","","has coordinates,has disorder","193744","2020-10-21","18:00:00",""
"1544851","6.241","0.0004","27.3263","0.0016","6.9456","0.0004","90","","99.4148","0.0019","90","","1168.57","0.12","296","2","296","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C24 H28 N2 O10 -","- C24 H28 N2 O10 -","- C48 H56 N4 O20 -","2","0.5","","Sui, Qi; Ren, Xiang-Ting; Dai, Yu-Xiang; Wang, Kai; Li, Wen-Tao; Gong, Teng; Fang, Jia-Jia; Zou, Bo; Gao, En-Qing; Wang, Lin","Piezochromism and hydrochromism through electron transfer: new stories for viologen materials","Chem. Sci.","2017","8","4","2758","","10.1039/C6SC04579K","","","0.71073","MoKα","","0.0656","0.0442","","","0.1079","0.1193","","","","","","1.04","","","","has coordinates,has disorder","195009","2020-10-21","18:00:00",""
"1544903","9.1556","0.0003","9.1556","0.0003","66.051","0.004","90","","90","","90","","5536.7","0.4","173","2","173","2","","","","","","","","5","P 41 21 2","P 4abw 2nw","92","","","","- C29 H31 N3 O3 Pd -","- C29 H31 N3 O3 Pd -","- C232 H248 N24 O24 Pd8 -","8","1","","Huang, Yingda; He, Jianyun; Liu, Zhanxiong; Cai, Guilong; Zhang, Shaowen; Li, Xiaofang","A highly active chiral (S,S)-bis(oxazoline) Pd(ii) alkyl complex/activator catalytic system for vinyl polymerization of norbornene in air and water","Polym. Chem.","2017","8","7","1217","","10.1039/C6PY01859A","","","0.71073","MoKα","","0.0534","0.0492","","","0.1172","0.1193","","","","","","1.176","","","","has coordinates","193920","2020-10-21","18:00:00",""
"1544914","10.5654","0.0007","12.0671","0.0008","25.9946","0.0015","90","","90","","90","","3314.1","0.4","100","2","100","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C36 H54 O5 -","- C36 H54 O5 -","- C144 H216 O20 -","4","1","","Yang, Xing-Wei; Yang, Jing; Xu, Gang","Skeleton Reassignment of Type C Polycyclic Polyprenylated Acylphloroglucinols.","Journal of natural products","2017","80","1","108","113","10.1021/acs.jnatprod.6b00754","","","1.54178","CuKα","","0.1026","0.0952","","","0.2141","0.2192","","","","","","1.161","","","","has coordinates,has disorder","191358","2020-10-21","18:00:00",""
"1544922","7.1535","0.0009","11.5439","0.001","9.2553","0.0012","90","","110.398","0.014","90","","716.37","0.16","123","0.1","123","0.1","","","","","","","","3","P 1 21 1","P 2yb","4","","","","- C16 H14 O6 -","- C16 H14 O6 -","- C32 H28 O12 -","2","1","","Nyandoro, Stephen S.; Munissi, Joan J. E.; Gruhonjic, Amra; Duffy, Sandra; Pan, Fangfang; Puttreddy, Rakesh; Holleran, John P.; Fitzpatrick, Paul A.; Pelletier, Jerry; Avery, Vicky M.; Rissanen, Kari; Erdélyi, Máté","Polyoxygenated Cyclohexenes and Other Constituents of Cleistochlamys kirkii Leaves.","Journal of natural products","2017","80","1","114","125","10.1021/acs.jnatprod.6b00759","","","1.54184","CuKα","","0.0229","0.0227","","","0.0588","0.059","","","","","","1.071","","","","has coordinates","191359","2020-10-21","18:00:00",""
"1544924","7.098","0.005","11.005","0.005","12.116","0.006","90","","98.904","0.008","90","","935","0.9","293","2","293","2","","","","","","","","3","P 1 21 1","P 2yb","4","","","","- C20 H34 O4 -","- C20 H34 O4 -","- C40 H68 O8 -","2","1","","Wang, Jianbin; Duan, Hongquan; Wang, Yi; Pan, Bowen; Gao, Chun; Gai, Chunyan; Wu, Qiong; Fu, Hongzheng","ent-Strobane and ent-Pimarane Diterpenoids from Siegesbeckia pubescens.","Journal of natural products","2017","80","1","19","29","10.1021/acs.jnatprod.6b00150","","","1.54187","CuKα","","0.0433","0.0409","","","0.1028","0.1048","","","","","","1.059","","","","has coordinates","191360","2020-10-21","18:00:00",""
"1544925","7.342","0.004","15.348","0.012","8.002","0.004","90","","98.622","0.008","90","","891.5","1","93","","93","","","","","","","","","3","P 1 21 1","P 2yb","4","","","","- C20 H34 O4 -","- C20 H34 O4 -","- C40 H68 O8 -","2","1","","Wang, Jianbin; Duan, Hongquan; Wang, Yi; Pan, Bowen; Gao, Chun; Gai, Chunyan; Wu, Qiong; Fu, Hongzheng","ent-Strobane and ent-Pimarane Diterpenoids from Siegesbeckia pubescens.","Journal of natural products","2017","80","1","19","29","10.1021/acs.jnatprod.6b00150","","","1.54187","CuKα","","0.0471","0.042","","","0.1153","0.1497","","","","","","1.22","","","","has coordinates","191360","2020-10-21","18:00:00",""
"1544926","18.8274","0.0007","12.704","0.0005","19.8612","0.0007","90","","90","","90","","4750.5","0.3","296","2","296","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C24 H10 Al F15 O2 -","- C24 H10 Al F15 O2 -","- C192 H80 Al8 F120 O16 -","8","1","","Wang, Qianyi; Zhao, Wuchao; He, Jianghua; Zhang, Yuetao; Chen, Eugene Y.-X.","Living Ring-Opening Polymerization of Lactones by N-Heterocyclic Olefin/Al(C6F5)3 Lewis Pairs: Structures of Intermediates, Kinetics, and Mechanism","Macromolecules","2017","50","1","123","","10.1021/acs.macromol.6b02398","","","0.71073","MoKα","","0.0492","0.0387","","","0.092","0.0981","","","","","","1.062","","","","has coordinates","191362","2020-10-21","18:00:00",""
"1544928","15.308","0.003","18.011","0.004","18.454","0.004","90","0.03","90.22","0.03","90","0.03","5088","1.9","173","2","173","2","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","","","- C38 H26 O2 -","- C38 H26 O2 -","- C304 H208 O16 -","8","2","","Yamano, Ryota; Hara, Jun; Murayama, Koichi; Sugiyama, Haruki; Teraoka, Kota; Uekusa, Hidehiro; Kawauchi, Susumu; Shibata, Yu; Tanaka, Ken","Rh-Mediated Enantioselective Synthesis, Crystal Structures, and Photophysical/Chiroptical Properties of Phenanthrenol-Based [9]Helicene-like Molecules.","Organic letters","2017","19","1","42","45","10.1021/acs.orglett.6b03279","","","1.54186","CuKα","","0.0429","0.0381","","","0.1004","0.1042","","","","","","1.05","","","","has coordinates","191395","2020-10-21","18:00:00",""
"1544929","10.6286","0.0018","25.115","0.004","10.7465","0.0018","90","","104.224","0.004","90","","2780.7","0.8","130","","130","","","","","","","","","5","C 1 c 1","C -2yc","9","","","","- C33 H25 N3 O4 S -","- C33 H25 N3 O4 S -","- C132 H100 N12 O16 S4 -","4","1","","Wang, Gaonan; You, Xu; Gan, Yi; Liu, Yuanhong","Synthesis of δ- and α-Carbolines via Nickel-Catalyzed [2 + 2 + 2] Cycloaddition of Functionalized Alkyne-Nitriles with Alkynes.","Organic letters","2017","19","1","110","113","10.1021/acs.orglett.6b03385","","","0.71073","MoKα","","0.0989","0.0497","","","0.1119","0.1429","","","","","","0.807","","","","has coordinates","214153","2020-10-21","18:00:00",""
"1544930","9.003","0.002","10.963","0.003","12.428","0.003","72.805","0.005","85.559","0.005","79.074","0.005","1150.3","0.5","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C30 H22 N2 O2 S -","- C30 H22 N2 O2 S -","- C60 H44 N4 O4 S2 -","2","1","","Wang, Gaonan; You, Xu; Gan, Yi; Liu, Yuanhong","Synthesis of δ- and α-Carbolines via Nickel-Catalyzed [2 + 2 + 2] Cycloaddition of Functionalized Alkyne-Nitriles with Alkynes.","Organic letters","2017","19","1","110","113","10.1021/acs.orglett.6b03385","","","0.71073","MoKα","","0.0667","0.0487","","","0.1243","0.1356","","","","","","1.023","","","","has coordinates","191396","2020-10-21","18:00:00",""
"1544933","10.83","0.0014","9.6753","0.0012","16.09","0.002","90","","92.076","0.001","90","","1684.9","0.4","100","2","100","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C20 H22 Cl N O2 -","- C20 H22 Cl N O2 -","- C80 H88 Cl4 N4 O8 -","4","1","","Katamura, Tomohiro; Shimizu, Tomoaki; Mutoh, Yuichiro; Saito, Shinichi","Synthesis of Tricyclic Benzazocines by Aza-Prins Reaction.","Organic letters","2017","19","1","266","269","10.1021/acs.orglett.6b03577","","","0.71073","MoKα","","0.0363","0.0344","","","0.0913","0.0931","","","","","","1.075","","","","has coordinates","191397","2020-10-21","18:00:00",""
"1544934","8.798","0.002","17.333","0.004","7.162","0.002","90","","99.138","0.009","90","","1078.3","0.5","150","2","150","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C12 H11 N3 O -","- C12 H11 N3 O -","- C48 H44 N12 O4 -","4","1","","Phatake, Ravindra S.; Mullapudi, Venkannababu; Wakchaure, Vivek C.; Ramana, Chepuri V.","Fluoride-Mediated Dephosphonylation of α-Diazo-β-carbonyl Phosphonates.","Organic letters","2017","19","2","372","375","10.1021/acs.orglett.6b03573","","","0.71073","MoKα","","0.1197","0.1026","","","0.215","0.2232","","","","","","1.129","","","","has coordinates","191381","2020-10-21","18:00:00",""
"1544935","11.1909","0.0009","21.865","0.002","8.6529","0.0007","90","","112.255","0.006","90","","1959.5","0.3","296","2","296","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C22 H21 N3 O2 -","- C22 H21 N3 O2 -","- C88 H84 N12 O8 -","4","1","","Phatake, Ravindra S.; Mullapudi, Venkannababu; Wakchaure, Vivek C.; Ramana, Chepuri V.","Fluoride-Mediated Dephosphonylation of α-Diazo-β-carbonyl Phosphonates.","Organic letters","2017","19","2","372","375","10.1021/acs.orglett.6b03573","","","0.71073","MoKα","","0.171","0.107","","","0.1935","0.2162","","","","","","1.175","","","","has coordinates","191381","2020-10-21","18:00:00",""
"1544936","21.1993","0.0019","8.9364","0.0009","27.249","0.003","90","","108.488","0.003","90","","4895.8","0.9","100","2","100","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C58 H59 Cl4 N5 -","- C58 H59 Cl4 N5 -","- C232 H236 Cl16 N20 -","4","1","","Díaz-Moscoso, Alejandro; Hernández-Alonso, Daniel; Escobar, Luis; Arroyave, Frank A.; Ballester, Pablo","Stereoselective Synthesis of Lower and Upper Rim Functionalized Tetra-α Isomers of Calix[4]pyrroles.","Organic letters","2017","19","1","226","229","10.1021/acs.orglett.6b03505","","","0.71073","MoKα","","0.0978","0.0859","","","0.2221","0.2297","","","","","","1.13","","","","has coordinates,has disorder","191398","2020-10-21","18:00:00",""
"1544937","14.2293","0.0002","14.2293","0.0002","14.5334","0.0004","90","","90","","90","","2942.62","0.1","100","2","100","2","","","","","","","","5","P 4/n :2","-P 4a","85","","","","- C60 H58 Br4 Cl4 N6 -","- C60 H58 Br4 Cl4 N6 -","- C120 H116 Br8 Cl8 N12 -","2","0.25","","Díaz-Moscoso, Alejandro; Hernández-Alonso, Daniel; Escobar, Luis; Arroyave, Frank A.; Ballester, Pablo","Stereoselective Synthesis of Lower and Upper Rim Functionalized Tetra-α Isomers of Calix[4]pyrroles.","Organic letters","2017","19","1","226","229","10.1021/acs.orglett.6b03505","","","0.7107","MoKα","","0.0408","0.0342","","","0.0948","0.0989","","","","","","1.034","","","","has coordinates","191398","2020-10-21","18:00:00",""
"1544938","8.89","0.0002","31.1842","0.0007","11.2873","0.0003","90","","90.258","0.001","90","","3129.12","0.13","200","","200","","","","","","","","local","5","P 1 21/c 1","-P 2ybc","14","","","","- C32 H37 N3 O8 S -","- C32 H37 N3 O8 S -","- C128 H148 N12 O32 S4 -","4","1","","Gao, Nadia Yuqian; Banwell, Martin G.; Willis, Anthony C.","Biomimetic Total Synthesis of the Pentacyclic Amaryllidaceae Alkaloid Derivative Gracilamine.","Organic letters","2017","19","1","162","165","10.1021/acs.orglett.6b03465","","","0.71073","MoKα","","0.0878","0.0523","","0.1334","0.1173","0.1334","","","","","","0.9883","","","","has coordinates","191399","2020-10-21","18:00:00",""
"1544939","25.6854","0.0002","8.0217","0.0001","15.3789","0.0001","90","","90","","90","","3168.68","0.05","150","","150","","","","","","","","local","6","P c a 21","P 2c -2ac","29","","","","- C32 H41 N O7 S Si -","- C32 H41 N O7 S Si -","- C128 H164 N4 O28 S4 Si4 -","4","1","","Gao, Nadia Yuqian; Banwell, Martin G.; Willis, Anthony C.","Biomimetic Total Synthesis of the Pentacyclic Amaryllidaceae Alkaloid Derivative Gracilamine.","Organic letters","2017","19","1","162","165","10.1021/acs.orglett.6b03465","","","1.54184","CuKα","","0.0309","0.0303","","0.0783","0.0778","0.0783","","","","","","1.0308","","","","has coordinates","191399","2020-10-21","18:00:00",""
"1544940","10.6659","0.0001","12.3","0.0002","29.9835","0.0005","78.5156","0.0013","86.0516","0.0012","75.7746","0.0012","3735.77","0.1","150","","150","","","","","","","","local","6","P -1","-P 1","2","","","","- C37 H52 N2 O8 S Si -","- C37 H52 N2 O8 S Si -","- C148 H208 N8 O32 S4 Si4 -","4","2","","Gao, Nadia Yuqian; Banwell, Martin G.; Willis, Anthony C.","Biomimetic Total Synthesis of the Pentacyclic Amaryllidaceae Alkaloid Derivative Gracilamine.","Organic letters","2017","19","1","162","165","10.1021/acs.orglett.6b03465","","","1.54184","CuKα","","0.0526","0.0466","","0.1188","0.1142","0.1188","","","","","","1","","","","has coordinates","191399","2020-10-21","18:00:00",""
"1544941","7.5065","0.0004","8.2625","0.0003","12.1071","0.0005","93.086","0.003","105.999","0.004","96.045","0.004","715.11","0.06","100","2","100","2","","","","","","","","5","P 1","P 1","1","","","","- C26 H28 Cl2 O8 S2 -","- C26 H28 Cl2 O8 S2 -","- C26 H28 Cl2 O8 S2 -","1","1","","Wallbaum, Jan; Garve, Lennart K. B.; Jones, Peter G.; Werz, Daniel B.","Ring-Opening 1,3-Halochalcogenation of Cyclopropane Dicarboxylates.","Organic letters","2017","19","1","98","101","10.1021/acs.orglett.6b03375","","","1.54184","CuKα","","0.0295","0.029","","","0.0749","0.0758","","","","","","1.027","","","","has coordinates,has disorder","191400","2020-10-21","18:00:00",""
"1544943","18.542","0.0009","8.149","0.0004","16.428","0.001","90","","112.296","0.001","90","","2296.7","0.2","294","2","294","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C28 H24 N2 O2 -","- C28 H24 N2 O2 -","- C112 H96 N8 O8 -","4","1","","Mangina, N. S. V. M. Rao; Kadiyala, Veerabhushanam; Guduru, Ravinder; Goutham, Kommuru; Sridhar, Balasubramanian; Karunakar, Galla V.","Gold-Catalyzed Intramolecular Regioselective 7-exo-dig Cyclization To Access 3-Methylene-3,4-dihydrobenzo[b]oxepinones.","Organic letters","2017","19","1","282","285","10.1021/acs.orglett.6b03433","","","0.71073","MoKα","","0.0937","0.0555","","","0.1492","0.1758","","","","","","1.032","","","","has coordinates","191401","2020-10-21","18:00:00",""
"1544944","8.4235","0.0008","17.6443","0.0017","17.7369","0.0017","90","","90","","90","","2636.2","0.4","294","2","294","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C26 H31 N3 O7 -","- C26 H31 N3 O7 -","- C104 H124 N12 O28 -","4","1","","Yarlagadda, Suresh; Ramesh, B.; Ravikumar Reddy, C.; Srinivas, L.; Sridhar, B.; Subba Reddy, B. V.","Organocatalytic Enantioselective Amination of 2-Substituted Indolin-3-ones: A Strategy for the Synthesis of Chiral α-Hydrazino Esters.","Organic letters","2017","19","1","170","173","10.1021/acs.orglett.6b03473","","","0.71073","MoKα","","0.0369","0.0339","","","0.0915","0.0939","","","","","","1.031","","","","has coordinates","191402","2020-10-21","18:00:00",""
"1544945","8.0323","0.0014","11.0444","0.0015","21.437","0.004","90","","90","","90","","1901.7","0.5","150","2","150","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C23 H17 Cl2 N O -","- C23 H17 Cl2 N O -","- C92 H68 Cl8 N4 O4 -","4","1","","Tiwari, Virendra Kumar; Kamal, Neha; Kapur, Manmohan","One Substrate, Two Modes of C-H Functionalization: A Metal-Controlled Site-Selectivity Switch in C-H Arylation Reactions.","Organic letters","2017","19","1","262","265","10.1021/acs.orglett.6b03558","","","0.71073","MoKα","","0.0702","0.0395","","","0.0927","0.1163","","","","","","0.977","","","","has coordinates,has disorder","191403","2020-10-21","18:00:00",""
"1544947","9.3929","0.0012","6.4813","0.0007","17.376","0.002","90","","101.247","0.003","90","","1037.5","0.2","223","","223","","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C20 H26 Br N O4 -","- C20 H26 Br N O4 -","- C40 H52 Br2 N2 O8 -","2","1","","Sagawa, Naoya; Sato, Haruka; Hosokawa, Seijiro","Remote Asymmetric Induction Using Acetate-Type Vinylketene Silyl N,O-Acetals.","Organic letters","2017","19","1","198","201","10.1021/acs.orglett.6b03476","","","0.71075","MoKα","","0.0883","0.049","","","0.1022","0.1448","","","","","","1.098","","","","has coordinates","191404","2020-10-21","18:00:00",""
"1544948","15.7589","0.0012","10.4662","0.0008","26.8462","0.0016","90","","102.139","0.007","90","","4328.9","0.5","180","0.1","180","0.1","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","","","- C28 H29 N -","- C28 H29 N -","- C224 H232 N8 -","8","2","","Yin, Jianhao; Ye, Qingyu; Hao, Wei; Du, Shuaijing; Gu, Yucheng; Zhang, Wen-Xiong; Xi, Zhenfeng","Formation of Cyclopenta[c]pyridine Derivatives from 2,5-Disubstituted Pyrroles and 1,4-Dibromo-1,3-butadienes via Pyrrole-Ring One-Carbon Expansion.","Organic letters","2017","19","1","138","141","10.1021/acs.orglett.6b03431","","","0.71073","MoKα","","0.1495","0.0834","","","0.1967","0.2336","","","","","","0.998","","","","has coordinates","191405","2020-10-21","18:00:00",""
"1544952","8.4034","0.0006","9.8773","0.0007","14.6579","0.0008","101.168","0.005","101.636","0.006","102.436","0.006","1127.36","0.14","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C25 H23 N3 O3 S -","- C25 H23 N3 O3 S -","- C50 H46 N6 O6 S2 -","2","1","","Zhou, Wei; Zhang, Min; Li, Hanhui; Chen, Wanzhi","One-Pot Three-Component Synthesis of Enamine-Functionalized 1,2,3-Triazoles via Cu-Catalytic Azide-Alkyne Click (CuAAC) and Cu-Catalyzed Vinyl Nitrene Transfer Sequence.","Organic letters","2017","19","1","10","13","10.1021/acs.orglett.6b02850","","","0.71073","MoKα","","0.0762","0.0526","","","0.1174","0.1356","","","","","","1.05","","","","has coordinates","191406","2020-10-21","18:00:00",""
"1544953","8.3665","0.0008","10.0146","0.001","10.4237","0.001","90","","108.862","0.004","90","","826.47","0.14","123","","123","","","","","","","","Royal","4","P 1 21 1","P 2yb","4","","","","- C17 H22 N2 O3 -","- C17 H22 N2 O3 -","- C34 H44 N4 O6 -","2","1","","Royal, Titouan; Baumgartner, Yann; Baudoin, Olivier","Enantioselective α-Arylation of O-Carbamates via Sparteine-Mediated Lithiation and Negishi Cross-Coupling.","Organic letters","2017","19","1","166","169","10.1021/acs.orglett.6b03472","","","1.54178","CuKα","","0.0262","0.026","","0.0544","0.0544","0.0544","","","","","","0.8942","","","","has coordinates","191407","2020-10-21","18:00:00",""
"1544963","7.8462","0.0004","11.066","0.0005","10.6654","0.0006","90","","112.684","0.003","90","","854.4","0.08","173","","173","","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C16 H27 N O4 -","- C16 H27 N O4 -","- C32 H54 N2 O8 -","2","1","","Sagawa, Naoya; Moriya, Hiroki; Hosokawa, Seijiro","Syn Selective Vinylogous Mukaiyama Aldol Reaction Using Z,E-Vinylketene N,O-Acetal with Acetals.","Organic letters","2017","19","1","250","253","10.1021/acs.orglett.6b03549","","","1.54187","CuKα","","0.1463","0.0683","","","0.1375","0.2071","","","","","","1.139","","","","has coordinates","191408","2020-10-21","18:00:00",""
"1544965","17.3672","0.0009","12.098","0.0006","10.2133","0.0006","90","","97.836","0.003","90","","2125.9","0.2","100","2","100","2","","","","","","","","6","C 1 c 1","C -2yc","9","","","","- C8 H12 Cl7 F6 S2 Sb -","- C8 H12 Cl7 F6 S2 Sb -","- C32 H48 Cl28 F24 S8 Sb4 -","4","1","","Schevenels, Florian T.; Shen, Minxing; Snyder, Scott A.","Alkyldisulfanium Salts: Isolable, Electrophilic Sulfur Reagents Competent for Polyene Cyclizations.","Organic letters","2017","19","1","2","5","10.1021/acs.orglett.6b02059","","","0.7749","synchrotron","","0.0418","0.0349","","","0.0694","0.0723","","","","","","1.028","","","","has coordinates","191409","2020-10-21","18:00:00",""
"1544966","9.0793","0.0009","10.4132","0.001","15.2584","0.0014","90","","90","","90","","1442.6","0.2","293","2","293.15","","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C16 H17 N O2 S -","- C16 H17 N O2 S -","- C64 H68 N4 O8 S4 -","4","1","","An, Qianjin; Liu, Delong; Shen, Jiefeng; Liu, Yangang; Zhang, Wanbin","The Construction of Chiral Fused Azabicycles Using a Pd-Catalyzed Allylic Substitution Cascade and Asymmetric Desymmetrization Strategy.","Organic letters","2017","19","1","238","241","10.1021/acs.orglett.6b03529","","","0.71073","MoKα","","0.0455","0.0356","","","0.0818","0.0876","","","","","","1.04","","","","has coordinates","191410","2020-10-21","18:00:00",""
"1544967","6.3817","0.0003","9.423","0.0004","28.5737","0.0012","90","","90","","90","","1718.27","0.13","293","2","293.15","","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C20 H21 N O2 S -","- C20 H21 N O2 S -","- C80 H84 N4 O8 S4 -","4","1","","An, Qianjin; Liu, Delong; Shen, Jiefeng; Liu, Yangang; Zhang, Wanbin","The Construction of Chiral Fused Azabicycles Using a Pd-Catalyzed Allylic Substitution Cascade and Asymmetric Desymmetrization Strategy.","Organic letters","2017","19","1","238","241","10.1021/acs.orglett.6b03529","","","0.71073","MoKα","","0.044","0.0366","","","0.0814","0.0864","","","","","","1.031","","","","has coordinates","191410","2020-10-21","18:00:00",""
"1544969","21.9093","0.0007","15.8193","0.0003","19.1282","0.0012","90","","130.884","0.002","90","","5012.2","0.4","293","2","293","2","","","","","","","","7","C 1 2/c 1","-C 2yc","15","","","","- C42 H50 F12 N10 O7 P2 Ru -","- C42 H50 F12 N10 O7 P2 Ru -","- C168 H200 F48 N40 O28 P8 Ru4 -","4","0.5","","Smith, Nichola A.; Zhang, Pingyu; Greenough, Simon E.; Horbury, Michael D.; Clarkson, Guy J.; McFeely, Daniel; Habtemariam, Abraha; Salassa, Luca; Stavros, Vasilios G.; Dowson, Christopher G.; Sadler, Peter J.","Combatting AMR: photoactivatable ruthenium(ii)-isoniazid complex exhibits rapid selective antimycobacterial activity.","Chemical science","2017","8","1","395","404","10.1039/c6sc03028a","","","1.54184","CuKα","","0.0854","0.0787","","","0.2222","0.2336","","","","","","1.058","","","","has coordinates,has disorder","196322","2020-10-21","18:00:00",""
"1544970","10.9404","0.0002","10.9404","0.0002","13.0885","0.0003","90","","90","","120","","1356.71","0.05","298","2","298","2","","","","","","","","5","P 32","P 32","145","","","","- C20 H19 Fe N S2 -","- C20 H19 Fe N S2 -","- C60 H57 Fe3 N3 S6 -","3","1","","Sánchez-Rodríguez, E P; Hochberger-Roa, F; Corona-Sánchez, R; Barquera-Lozada, J E; Toscano, R. A.; Urrutigoïty, M; Gouygou, M.; Ortega-Alfaro, M C; López-Cortés, J G","Chiral bidentate [N,S]-ferrocene ligands based on a thiazoline framework. Synthesis and use in palladium-catalyzed asymmetric allylic alkylation.","Dalton transactions (Cambridge, England : 2003)","2017","46","5","1510","1519","10.1039/c6dt04119a","","","0.71073","MoKα","","0.041","0.0295","","","0.0569","0.0626","","","","","","1.007","","","","has coordinates","191655","2020-10-21","18:00:00",""
"1544971","7.6132","0.0008","10.3234","0.0011","17.0932","0.0019","90","","90","","90","","1343.4","0.3","298","2","298","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C14 H17 Fe N O S -","- C14 H17 Fe N O S -","- C56 H68 Fe4 N4 O4 S4 -","4","1","","Sánchez-Rodríguez, E P; Hochberger-Roa, F; Corona-Sánchez, R; Barquera-Lozada, J E; Toscano, R. A.; Urrutigoïty, M; Gouygou, M.; Ortega-Alfaro, M C; López-Cortés, J G","Chiral bidentate [N,S]-ferrocene ligands based on a thiazoline framework. Synthesis and use in palladium-catalyzed asymmetric allylic alkylation.","Dalton transactions (Cambridge, England : 2003)","2017","46","5","1510","1519","10.1039/c6dt04119a","","","0.71073","MoKα","","0.0257","0.0234","","","0.0522","0.0529","","","","","","0.982","","","","has coordinates,has disorder","191655","2020-10-21","18:00:00",""
"1544972","10.2026","0.0006","15.2374","0.0009","8.0026","0.0005","90","","90","","90","","1244.09","0.13","180","2","180","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C14 H15 Fe N S -","- C14 H15 Fe N S -","- C56 H60 Fe4 N4 S4 -","4","1","","Sánchez-Rodríguez, E P; Hochberger-Roa, F; Corona-Sánchez, R; Barquera-Lozada, J E; Toscano, R. A.; Urrutigoïty, M; Gouygou, M.; Ortega-Alfaro, M C; López-Cortés, J G","Chiral bidentate [N,S]-ferrocene ligands based on a thiazoline framework. Synthesis and use in palladium-catalyzed asymmetric allylic alkylation.","Dalton transactions (Cambridge, England : 2003)","2017","46","5","1510","1519","10.1039/c6dt04119a","","","0.71073","MoKα","","0.042","0.0293","","","0.0654","0.0709","","","","","","1.025","","","","has coordinates","191655","2020-10-21","18:00:00",""
"1544973","11.1905","0.0002","22.586","0.0004","16.2428","0.0003","90","","91.695","0.0012","90","","4103.55","0.13","173","2","173","2","","","","","","","","9","P 1 21/n 1","-P 2yn","14","","","","- C34 H54 Cl F3 Ga N3 O3 S Si2 -","- C34 H54 Cl F3 Ga N3 O3 S Si2 -","- C136 H216 Cl4 F12 Ga4 N12 O12 S4 Si8 -","4","1","","Swarnakar, Anindya K.; Ferguson, Michael J.; McDonald, Robert; Rivard, Eric","Azido- and amido-substituted gallium hydrides supported by N-heterocyclic carbenes.","Dalton transactions (Cambridge, England : 2003)","2017","46","5","1406","1412","10.1039/c6dt04595b","","","1.54178","CuKα","","0.0756","0.0552","","","0.1382","0.1572","","","","","","1.097","","","","has coordinates,has disorder","191664","2020-10-21","18:00:00",""
"1544974","9.3467","0.0002","9.991","0.0002","18.9915","0.0004","81.5099","0.0008","79.0123","0.0007","62.4631","0.0008","1540.13","0.06","173","2","173","2","","","","","","","","6","P -1","-P 1","2","","","","- C27 H43.85 Cl0.15 Ga N3 Si2 -","- C27 H43.85 Cl0.15 Ga N3 Si2 -","- C54 H87.7 Cl0.3 Ga2 N6 Si4 -","2","1","","Swarnakar, Anindya K.; Ferguson, Michael J.; McDonald, Robert; Rivard, Eric","Azido- and amido-substituted gallium hydrides supported by N-heterocyclic carbenes.","Dalton transactions (Cambridge, England : 2003)","2017","46","5","1406","1412","10.1039/c6dt04595b","","","1.54178","CuKα","","0.03","0.0296","","","0.0824","0.0828","","","","","","1.061","","","","has coordinates,has disorder","191664","2020-10-21","18:00:00",""
"1544975","12.2187","0.001","15.2841","0.0013","15.7675","0.0013","90","","102.522","0.004","90","","2874.6","0.4","173","2","173","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C23 H25 F6 Ga N2 O6 S2 -","- C23 H25 F6 Ga N2 O6 S2 -","- C92 H100 F24 Ga4 N8 O24 S8 -","4","1","","Swarnakar, Anindya K.; Ferguson, Michael J.; McDonald, Robert; Rivard, Eric","Azido- and amido-substituted gallium hydrides supported by N-heterocyclic carbenes.","Dalton transactions (Cambridge, England : 2003)","2017","46","5","1406","1412","10.1039/c6dt04595b","","","1.54178","CuKα","","0.0357","0.033","","","0.0953","0.0988","","","","","","1.079","","","","has coordinates","191664","2020-10-21","18:00:00",""
"1544976","12.2392","0.0002","36.3301","0.0007","11.934","0.0002","90","","117.532","0.0006","90","","4705.51","0.14","173","2","173","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C40 H71.5 Cl2 Ga N3 O1.75 Si2 -","- C37 H64 Cl2 Ga N3 O Si2 -","- C148 H256 Cl8 Ga4 N12 O4 Si8 -","4","1","","Swarnakar, Anindya K.; Ferguson, Michael J.; McDonald, Robert; Rivard, Eric","Azido- and amido-substituted gallium hydrides supported by N-heterocyclic carbenes.","Dalton transactions (Cambridge, England : 2003)","2017","46","5","1406","1412","10.1039/c6dt04595b","","","1.54178","CuKα","","0.0333","0.0324","","","0.08","0.0807","","","","","","1.112","","","","has coordinates","191664","2020-10-21","18:00:00",""
"1544977","18.7477","0.0005","8.4344","0.0002","15.3559","0.0004","90","","95.0657","0.0017","90","","2418.68","0.11","173","2","173","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C24.5 H30 Ga N5 -","- C24.5 H30 Ga N5 -","- C98 H120 Ga4 N20 -","4","1","","Swarnakar, Anindya K.; Ferguson, Michael J.; McDonald, Robert; Rivard, Eric","Azido- and amido-substituted gallium hydrides supported by N-heterocyclic carbenes.","Dalton transactions (Cambridge, England : 2003)","2017","46","5","1406","1412","10.1039/c6dt04595b","","","1.54178","CuKα","","0.0865","0.0668","","","0.1732","0.1905","","","","","","1.039","","","","has coordinates,has disorder","191664","2020-10-21","18:00:00",""
"1544978","9.6591","0.0007","15.8903","0.0012","16.1514","0.0012","90","","91.983","0.007","90","","2477.5","0.3","290.83","0.1","290.83","0.1","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C29 H26 N2 O2 S -","- C29 H26 N2 O2 S -","- C116 H104 N8 O8 S4 -","4","1","","Chen, Wei; Bai, Ya-Li; Luo, Yong-Chun; Xu, Peng-Fei","Rh(II) Catalyzed High Order Cycloadditions of 8-Azaheptafulvenes with N-Sulfonyl 1,2,3-Triazloes or α-Oxo Diazocompounds.","Organic letters","2017","19","2","364","367","10.1021/acs.orglett.6b03542","","x-ray","0.71073","MoKα","","0.1318","0.0653","","","0.1251","0.1689","","","","","","1.064","","","","has coordinates","191379","2020-10-21","18:00:00",""
"1544979","8.6521","0.0003","31.6804","0.0012","8.7706","0.0003","90","","106.944","0.001","90","","2299.68","0.14","298","2","298","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","Azidocyclopentane","","","- C24 H27 N3 O5 -","- C24 H27 N3 O5 -","- C96 H108 N12 O20 -","4","1","","Dey, Raghunath; Banerjee, Prabal","Lewis Acid Catalyzed Diastereoselective Cycloaddition Reactions of Donor-Acceptor Cyclopropanes and Vinyl Azides: Synthesis of Functionalized Azidocyclopentane and Tetrahydropyridine Derivatives.","Organic letters","2017","19","2","304","307","10.1021/acs.orglett.6b03276","","","0.71073","MoKα","","0.158","0.0862","","","0.2005","0.2325","","","","","","1.068","","","","has coordinates","191382","2020-10-21","18:00:00",""
"1544980","15.3377","0.0002","7.8683","0.0001","16.5282","0.0003","90","","100.698","0.0006","90","","1959.98","0.05","103","2","103","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","(7aR*,12bS*)-6-Bromo-5,12b-dihydroxy-4,13-dimethoxy-7a-methyl-7H-naphth[2,1:b]fluolene-8,13-dione","","","- C24 H19 Br O6 -","- C24 H19 Br O6 -","- C96 H76 Br4 O24 -","4","1","","Kawamura, Moe; Kamo, Shogo; Azuma, Shuhei; Kubo, Konomi; Sasamori, Takahiro; Tokitoh, Norihiro; Kuramochi, Kouji; Tsubaki, Kazunori","Skeletal Rearrangements of Polycyclic α-Ketols.","Organic letters","2017","19","2","301","303","10.1021/acs.orglett.6b03541","","","0.71075","MoKα","","0.0295","0.0269","","","0.0697","0.0712","","","","","","1.079","","","","has coordinates","191384","2020-10-21","18:00:00",""
"1544981","6.9248","0.0004","10.1578","0.0006","12.5321","0.0006","75.761","0.003","75.876","0.005","79.427","0.005","821.43","0.08","103","2","103","2","","","","","","","","4","P -1","-P 1","2","6-Bromo-7a-methyl-7,7a-dihydro-5H-dibenzo[b,g]fluorene-5,8,13-trione","","","- C22 H13 Br O3 -","- C22 H13 Br O3 -","- C44 H26 Br2 O6 -","2","1","","Kawamura, Moe; Kamo, Shogo; Azuma, Shuhei; Kubo, Konomi; Sasamori, Takahiro; Tokitoh, Norihiro; Kuramochi, Kouji; Tsubaki, Kazunori","Skeletal Rearrangements of Polycyclic α-Ketols.","Organic letters","2017","19","2","301","303","10.1021/acs.orglett.6b03541","","","0.71075","MoKα","","0.0479","0.0456","","","0.1174","0.119","","","","","","1.027","","","","has coordinates","191384","2020-10-21","18:00:00",""
"1544982","18.0886","0.0005","25.2724","0.001","26.1157","0.001","62.983","0.004","89.953","0.003","89.655","0.003","10635.5","0.8","100","1.7","100","1.7","","","","","","","","5","P -1","-P 1","2","","Ga[OSi(OtBu)3]3(thf)","","- C40 H89 Ga O13 Si3 -","- C40 H89 Ga O13 Si3 -","- C320 H712 Ga8 O104 Si24 -","8","4","","Searles, Keith; Siddiqi, Georges; Safonova, Olga V.; Copéret, Christophe","Silica-supported isolated gallium sites as highly active, selective and stable propane dehydrogenation catalysts","Chem. Sci.","2017","8","4","2661","","10.1039/C6SC05178B","","","0.71073","MoKα","","0.1188","0.0741","","","0.1174","0.1374","","","","","","1.02","","","","has coordinates","194992","2020-10-21","18:00:00",""
"1544983","14.003","0.0003","8.7535","0.0002","16.9635","0.0003","90","","93.969","0.001","90","","2074.32","0.07","173","2","173","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C34 H30 Cu4 I4 N6 S4 -","- C34 H30 Cu4 I4 N6 S4 -","- C68 H60 Cu8 I8 N12 S8 -","2","0.5","","Lee, Hyeong-Hwan; Park, In-Hyeok; Kim, Seulgi; Lee, Eunji; Ju, Huiyeong; Jung, Jong Hwa; Ikeda, Mari; Habata, Yoichi; Lee, Shim Sung","Anion exchange coupled with the reduction and dimerisation of a copper(ii) nitrate complex of tripyridyl dithioether via a single-crystal-to-single-crystal transformation","Chem. Sci.","2017","8","4","2592","","10.1039/C6SC05341F","","","0.71073","MoKα","","0.0186","0.0168","","","0.0415","0.0422","","","","","","1.036","","","","has coordinates","195004","2020-10-21","18:00:00",""
"1544984","8.811","0.0001","10.0997","0.0001","12.544","0.0002","101.523","0.001","102.995","0.001","104.283","0.001","1014.82","0.02","173","2","173","2","","","","","","","","6","P -1","-P 1","2","","","","- C34 H30 Cu4 I4 N6 S4 -","- C34 H30 Cu4 I4 N6 S4 -","- C34 H30 Cu4 I4 N6 S4 -","1","0.5","","Lee, Hyeong-Hwan; Park, In-Hyeok; Kim, Seulgi; Lee, Eunji; Ju, Huiyeong; Jung, Jong Hwa; Ikeda, Mari; Habata, Yoichi; Lee, Shim Sung","Anion exchange coupled with the reduction and dimerisation of a copper(ii) nitrate complex of tripyridyl dithioether via a single-crystal-to-single-crystal transformation","Chem. Sci.","2017","8","4","2592","","10.1039/C6SC05341F","","","0.71073","MoKα","","0.0184","0.0171","","","0.0438","0.0445","","","","","","1.14","","","","has coordinates","195004","2020-10-21","18:00:00",""
"1544985","28.265","0.0008","16.1159","0.0005","10.1658","0.0003","90","","109.463","0.001","90","","4366.1","0.2","173","2","173","2","","","","","","","","7","C 1 2/c 1","-C 2yc","15","","","","- C35 H32 Cl2 Cu4 I4 N6 S4 -","- C35 H32 Cl2 Cu4 I4 N6 S4 -","- C140 H128 Cl8 Cu16 I16 N24 S16 -","4","0.5","","Lee, Hyeong-Hwan; Park, In-Hyeok; Kim, Seulgi; Lee, Eunji; Ju, Huiyeong; Jung, Jong Hwa; Ikeda, Mari; Habata, Yoichi; Lee, Shim Sung","Anion exchange coupled with the reduction and dimerisation of a copper(ii) nitrate complex of tripyridyl dithioether via a single-crystal-to-single-crystal transformation","Chem. Sci.","2017","8","4","2592","","10.1039/C6SC05341F","","","0.71073","MoKα","","0.0336","0.0306","","","0.0774","0.0801","","","","","","1.047","","","","has coordinates","195004","2020-10-21","18:00:00",""
"1544986","25.9718","0.0006","10.2757","0.0002","17.5936","0.0004","90","","90.94","0.001","90","","4694.72","0.18","173","2","173","2","","","","","","","","7","C 1 2/c 1","-C 2yc","15","","","","- C36 H34 Cl4 Cu4 I4 N6 S4 -","- C36 H34 Cl4 Cu4 I4 N6 S4 -","- C144 H136 Cl16 Cu16 I16 N24 S16 -","4","0.5","","Lee, Hyeong-Hwan; Park, In-Hyeok; Kim, Seulgi; Lee, Eunji; Ju, Huiyeong; Jung, Jong Hwa; Ikeda, Mari; Habata, Yoichi; Lee, Shim Sung","Anion exchange coupled with the reduction and dimerisation of a copper(ii) nitrate complex of tripyridyl dithioether via a single-crystal-to-single-crystal transformation","Chem. Sci.","2017","8","4","2592","","10.1039/C6SC05341F","","","0.71073","MoKα","","0.0508","0.0464","","","0.1163","0.1194","","","","","","1.101","","","","has coordinates,has disorder","195004","2020-10-21","18:00:00",""
"1544987","17.889","0.0001","12.2339","0.0001","20.7705","0.0003","90","","101.703","0.001","90","","4451.18","0.08","173","2","173","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C17 H15 Cu N5 O6 S2 -","- C17 H15 Cu N5 O6 S2 -","- C136 H120 Cu8 N40 O48 S16 -","8","1","","Lee, Hyeong-Hwan; Park, In-Hyeok; Kim, Seulgi; Lee, Eunji; Ju, Huiyeong; Jung, Jong Hwa; Ikeda, Mari; Habata, Yoichi; Lee, Shim Sung","Anion exchange coupled with the reduction and dimerisation of a copper(ii) nitrate complex of tripyridyl dithioether via a single-crystal-to-single-crystal transformation","Chem. Sci.","2017","8","4","2592","","10.1039/C6SC05341F","","","0.71073","MoKα","","0.028","0.0251","","","0.0645","0.0655","","","","","","1.071","","","","has coordinates","195004","2020-10-21","18:00:00",""
"1544988","10.1355","0.0002","8.3969","0.0002","21.0712","0.0004","90","","95.58","0.001","90","","1784.8","0.06","173","2","173","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C34 H30 Cu2 I2 N6 S4 -","- C34 H30 Cu2 I2 N6 S4 -","- C68 H60 Cu4 I4 N12 S8 -","2","0.5","","Lee, Hyeong-Hwan; Park, In-Hyeok; Kim, Seulgi; Lee, Eunji; Ju, Huiyeong; Jung, Jong Hwa; Ikeda, Mari; Habata, Yoichi; Lee, Shim Sung","Anion exchange coupled with the reduction and dimerisation of a copper(ii) nitrate complex of tripyridyl dithioether via a single-crystal-to-single-crystal transformation","Chem. Sci.","2017","8","4","2592","","10.1039/C6SC05341F","","","0.71073","MoKα","","0.108","0.0904","","","0.1791","0.192","","","","","","1.054","","","","has coordinates,has disorder","195004","2020-10-21","18:00:00",""
"1544989","10.5537","0.0005","9.2526","0.0004","16.335","0.0008","90","","107.345","0.003","90","","1522.57","0.13","173","2","173","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C17 H15 N3 S2 -","- C17 H15 N3 S2 -","- C68 H60 N12 S8 -","4","1","","Lee, Hyeong-Hwan; Park, In-Hyeok; Kim, Seulgi; Lee, Eunji; Ju, Huiyeong; Jung, Jong Hwa; Ikeda, Mari; Habata, Yoichi; Lee, Shim Sung","Anion exchange coupled with the reduction and dimerisation of a copper(ii) nitrate complex of tripyridyl dithioether via a single-crystal-to-single-crystal transformation","Chem. Sci.","2017","8","4","2592","","10.1039/C6SC05341F","","","0.71073","MoKα","","0.0864","0.0506","","","0.0822","0.0919","","","","","","1.074","","","","has coordinates","195004","2020-10-21","18:00:00",""
"1544990","8.878","0.003","12.26","0.003","21.373","0.006","90","","95.593","0.005","90","","2315.3","1.2","296","2","296","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C30 H22 N2 O2 -","- C30 H22 N2 O2 -","- C120 H88 N8 O8 -","4","1","","Zhang, Jingjing; Wu, Xia; Gao, Qinghe; Geng, Xiao; Zhao, Peng; Wu, Yan-Dong; Wu, Anxin","Diamination/Oxidative Cross-Coupling/Bicyclization of Anilines and Methyl Ketones: Direct I2-Promoted Synthesis of 1,2-Fused Oxindoles.","Organic letters","2017","19","2","408","411","10.1021/acs.orglett.6b03636","","","0.71073","MoKα","","0.0994","0.0524","","","0.147","0.1848","","","","","","0.967","","","","has coordinates","191383","2020-10-21","18:00:00",""
"1544991","11.2567","0.0007","11.6409","0.0007","27.0758","0.0016","90","","90","","90","","3548","0.4","298","2","298.15","","","","","","","","","5","P c a 21","P 2c -2ac","29","","","","- C18 H17 F3 O2 S2 -","- C18 H17 F3 O2 S2 -","- C144 H136 F24 O16 S16 -","8","2","","Li, Haoyu; Shan, Cuicui; Tung, Chen-Ho; Xu, Zhenghu","Dual gold and photoredox catalysis: visible light-mediated intermolecular atom transfer thiosulfonylation of alkenes","Chem. Sci.","2017","8","4","2610","","10.1039/C6SC05093J","","","0.71073","MoKα","","0.1464","0.0902","","","0.1256","0.1446","","","","","","1.058","","","","has coordinates","288155","2023-12-07","17:20:21",""
"1544992","5.6786","0.0006","8.4547","0.0009","15.2755","0.0016","95.353","0.008","96.231","0.008","102.129","0.008","707.68","0.13","298","2","298.15","","","","","","","","","5","P -1","-P 1","2","","","","- C12 H13 F3 O2 S2 -","- C12 H13 F3 O2 S2 -","- C24 H26 F6 O4 S4 -","2","1","","Li, Haoyu; Shan, Cuicui; Tung, Chen-Ho; Xu, Zhenghu","Dual gold and photoredox catalysis: visible light-mediated intermolecular atom transfer thiosulfonylation of alkenes","Chem. Sci.","2017","8","4","2610","","10.1039/C6SC05093J","","","0.71","MoKα","","0.1544","0.0978","","","0.2709","0.3262","","","","","","1.037","","","","has coordinates,has disorder","194993","2020-10-21","18:00:00",""
"1544993","12.2342","0.0014","24.232","0.003","18.5607","0.0019","90","","100.311","0.007","90","","5413.6","1.1","100","2","100","2","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C49 H32 B2 F22 N O2 P -","- C49 H32 B2 F22 N O2 P -","- C196 H128 B8 F88 N4 O8 P4 -","4","1","","Erker, Gerhard; Wang, Tongdao; Wang, Long; Daniliuc, Constantin Gabriel; Samigullin, Kamil; Wagner, Matthias; Kehr, Gerald","CO/CO and NO/NO Coupling at a Hidden Frustrated Lewis Pair Template","Chem. Sci.","2017","","","","","10.1039/C6SC04459J","","","1.54178","CuKα","","0.1153","0.0684","","","0.1625","0.1873","","","","","","1.04","","","","has coordinates,has disorder","189869","2020-10-21","18:00:00",""
"1544994","9.1176","0.0012","16.071","0.002","19.36","0.002","90","","98.211","0.004","90","","2807.7","0.6","100","2","100","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C30 H23 B F15 N -","- C30 H23 B F15 N -","- C120 H92 B4 F60 N4 -","4","2","","Erker, Gerhard; Wang, Tongdao; Wang, Long; Daniliuc, Constantin Gabriel; Samigullin, Kamil; Wagner, Matthias; Kehr, Gerald","CO/CO and NO/NO Coupling at a Hidden Frustrated Lewis Pair Template","Chem. Sci.","2017","","","","","10.1039/C6SC04459J","","","0.71073","MoKα","","0.1115","0.0612","","","0.1098","0.1284","","","","","","1.045","","","","has coordinates","189869","2020-10-21","18:00:00",""
"1544995","9.6021","0.0005","9.8581","0.0006","13.16","0.0007","73.124","0.002","77.164","0.002","81.941","0.002","1158.44","0.11","102","2","102","2","","","","","","","","5","P -1","-P 1","2","","","","- C24 H24 B F10 N -","- C24 H24 B F10 N -","- C48 H48 B2 F20 N2 -","2","1","","Erker, Gerhard; Wang, Tongdao; Wang, Long; Daniliuc, Constantin Gabriel; Samigullin, Kamil; Wagner, Matthias; Kehr, Gerald","CO/CO and NO/NO Coupling at a Hidden Frustrated Lewis Pair Template","Chem. Sci.","2017","","","","","10.1039/C6SC04459J","","","0.71073","MoKα","","0.073","0.0427","","","0.0871","0.0976","","","","","","1.014","","","","has coordinates","189869","2020-10-21","18:00:00",""
"1544996","14.4987","0.0007","11.0883","0.0004","23.6041","0.001","90","","106.503","0.001","90","","3638.4","0.3","102","2","102","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C38 H25 B2 F20 N O2 -","- C38 H25 B2 F20 N O2 -","- C152 H100 B8 F80 N4 O8 -","4","1","","Erker, Gerhard; Wang, Tongdao; Wang, Long; Daniliuc, Constantin Gabriel; Samigullin, Kamil; Wagner, Matthias; Kehr, Gerald","CO/CO and NO/NO Coupling at a Hidden Frustrated Lewis Pair Template","Chem. Sci.","2017","","","","","10.1039/C6SC04459J","","","0.71073","MoKα","","0.0713","0.0405","","","0.0766","0.0867","","","","","","1.033","","","","has coordinates","189869","2020-10-21","18:00:00",""
"1544997","11.0648","0.0002","22.0848","0.0004","20.1904","0.0004","90","","102.354","0.001","90","","4819.56","0.16","223","2","223","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C44 H24 B2 F25 N O2 -","- C44 H24 B2 F25 N O2 -","- C176 H96 B8 F100 N4 O8 -","4","1","","Erker, Gerhard; Wang, Tongdao; Wang, Long; Daniliuc, Constantin Gabriel; Samigullin, Kamil; Wagner, Matthias; Kehr, Gerald","CO/CO and NO/NO Coupling at a Hidden Frustrated Lewis Pair Template","Chem. Sci.","2017","","","","","10.1039/C6SC04459J","","","0.71073","MoKα","","0.1137","0.0711","","","0.1475","0.1658","","","","","","1.031","","","","has coordinates,has disorder","189869","2020-10-21","18:00:00",""
"1544998","7.0432","0.0001","18.5654","0.0004","19.9939","0.0004","90","","98.022","0.001","90","","2588.82","0.08","223","2","223","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C24 H24 B F10 N3 O2 -","- C24 H24 B F10 N3 O2 -","- C96 H96 B4 F40 N12 O8 -","4","1","","Erker, Gerhard; Wang, Tongdao; Wang, Long; Daniliuc, Constantin Gabriel; Samigullin, Kamil; Wagner, Matthias; Kehr, Gerald","CO/CO and NO/NO Coupling at a Hidden Frustrated Lewis Pair Template","Chem. Sci.","2017","","","","","10.1039/C6SC04459J","","","0.71073","MoKα","","0.0639","0.049","","","0.1108","0.1222","","","","","","1.065","","","","has coordinates","189869","2020-10-21","18:00:00",""
"1544999","11.4759","0.0007","11.5926","0.0007","20.7695","0.0013","90","","95.877","0.002","90","","2748.6","0.3","105","2","105","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C26 H28 B F10 N3 O2 -","- C26 H28 B F10 N3 O2 -","- C104 H112 B4 F40 N12 O8 -","4","1","","Erker, Gerhard; Wang, Tongdao; Wang, Long; Daniliuc, Constantin Gabriel; Samigullin, Kamil; Wagner, Matthias; Kehr, Gerald","CO/CO and NO/NO Coupling at a Hidden Frustrated Lewis Pair Template","Chem. Sci.","2017","","","","","10.1039/C6SC04459J","","","0.71073","MoKα","","0.1147","0.0945","","","0.1765","0.1841","","","","","","1.2","","","","has coordinates","189869","2020-10-21","18:00:00",""
"1545000","10.9697","0.0002","11.2538","0.0002","13.9662","0.0004","93.564","0.001","101.334","0.001","106.008","0.001","1612.53","0.06","223","2","223","2","","","","","","","","5","P -1","-P 1","2","","","","- C32 H30 B F10 N -","- C32 H30 B F10 N -","- C64 H60 B2 F20 N2 -","2","1","","Erker, Gerhard; Wang, Tongdao; Wang, Long; Daniliuc, Constantin Gabriel; Samigullin, Kamil; Wagner, Matthias; Kehr, Gerald","CO/CO and NO/NO Coupling at a Hidden Frustrated Lewis Pair Template","Chem. Sci.","2017","","","","","10.1039/C6SC04459J","","","0.71073","MoKα","","0.0871","0.0639","","","0.139","0.1502","","","","","","1.052","","","","has coordinates","189869","2020-10-21","18:00:00",""
"1545003","11.152","0.0008","16.7802","0.0012","35.226","0.003","90","","90","","90","","6591.9","0.9","90","","90","","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C59 H90 N8 O15 -","- C59 H88 N8 O15 -","- C236 H352 N32 O60 -","4","1","","Jang, Jun-Pil; Nogawa, Toshihiko; Futamura, Yushi; Shimizu, Takeshi; Hashizume, Daisuke; Takahashi, Shunji; Jang, Jae-Hyuk; Ahn, Jong Seog; Osada, Hiroyuki","Octaminomycins A and B, Cyclic Octadepsipeptides Active against Plasmodium falciparum.","Journal of natural products","2017","80","1","134","140","10.1021/acs.jnatprod.6b00758","","","0.71073","MoKα","","0.1916","0.1145","","","0.2633","0.2857","","","","","","1.522","","","","has coordinates,has disorder","191357","2020-10-21","18:00:00",""
"1545005","31.7209","0.0005","19.3373","0.0002","50.4748","0.0007","90","","96.0619","0.0014","90","","30787.9","0.7","100","","100","","","","","","","","","5","P 1 c 1","P -2yc","7","","","","- C301 H348 N8 O17 Zn -","- C301 H348 N8 O17 Zn -","- C1204 H1392 N32 O67.9998 Zn4 -","4","2","","Kohn, Daniel R.; Movsisyan, Levon D.; Thompson, Amber L.; Anderson, Harry L.","Porphyrin-Polyyne [3]- and [5]Rotaxanes.","Organic letters","2017","19","2","348","351","10.1021/acs.orglett.6b03528","","","0.6889","synchrotron","","0.1407","0.1236","","0.3567","0.3163","0.3567","","","","","","1.0067","","","","has coordinates,has disorder","191380","2020-10-21","18:00:00",""
"1545006","50.8135","0.0018","29.3497","0.0008","49.1614","0.0016","90","","110.274","0.004","90","","68775","4","123","2","123","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C252 H330 Ag28 P4 Pt S18 -","- C252 H330 Ag28 P4 Pt S18 -","- C2016 H2640 Ag224 P32 Pt8 S144 -","8","1","","Kang, Xi; Zhou, Meng; Wang, Shuxin; Jin, Shan; Sun, Guodong; Zhu, Manzhou; Jin, Rongchao","The tetrahedral structure and luminescence properties of Bi-metallic Pt1Ag28(SR)18(PPh3)4 nanocluster","Chem. Sci.","2017","8","4","2581","","10.1039/C6SC05104A","","","1.54178","CuKα","","0.0432","0.0333","","","0.0845","0.0867","","","","","","1.048","","","","has coordinates","194995","2020-10-21","18:00:00",""
"1545007","14.1242","0.0001","14.1242","0.0001","16.617","0.0001","90","","90","","90","","3314.98","0.04","100","2","100","2","","","","","","","","6","P 4","P 4","75","","","","- C52 H96 Cl2 Mg N4 O30 -","- C52 H60 Cl2 Mg N4 O30 -","- C104 H120 Cl4 Mg2 N8 O60 -","2","0.5","","Barker, Emily C.; Martin, Adam D.; Garvey, Christopher J.; Goh, Ching Yong; Jones, Franca; Mocerino, Mauro; Skelton, Brian W.; Ogden, Mark I.; Becker, Thomas","Thermal annealing behaviour and gel to crystal transition of a low molecular weight hydrogelator.","Soft matter","2017","13","5","1006","1011","10.1039/c6sm02431a","","","1.54184","CuKα","","0.0833","0.0826","","","0.2396","0.2406","","","","","","1.091","","","","has coordinates,has disorder","191768","2020-10-21","18:00:00",""
"1545008","5.1645","0.0004","13.0453","0.0009","22.127","0.0016","90","","90","","90","","1490.75","0.19","150","2","150","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C15 H18 O9 -","- C15 H18 O9 -","- C60 H72 O36 -","4","1","","Verastegui-Omaña, Brisa; Rebollar-Ramos, Daniela; Pérez-Vásquez, Araceli; Martínez, Ana Laura; Madariaga-Mazón, Abraham; Flores-Bocanegra, Laura; Mata, Rachel","α-Glucosidase Inhibitors from Malbranchea flavorosea.","Journal of natural products","2017","80","1","190","195","10.1021/acs.jnatprod.6b00977","","","1.54178","CuKα","","0.0428","0.0406","","","0.1064","0.1093","","","","","","1.078","","","","has coordinates","191354","2020-10-21","18:00:00",""
"1545009","20.881","0.003","7.2139","0.0011","7.1436","0.0011","90","","95.201","0.004","90","","1071.6","0.3","150","2","150","2","","","","","","","","3","C 1 2 1","C 2y","5","","","","- C11 H13 O5.5 -","- C11 H13 O5.5 -","- C44 H52 O22 -","4","1","","Verastegui-Omaña, Brisa; Rebollar-Ramos, Daniela; Pérez-Vásquez, Araceli; Martínez, Ana Laura; Madariaga-Mazón, Abraham; Flores-Bocanegra, Laura; Mata, Rachel","α-Glucosidase Inhibitors from Malbranchea flavorosea.","Journal of natural products","2017","80","1","190","195","10.1021/acs.jnatprod.6b00977","","","1.54178","CuKα","","0.0503","0.0501","","","0.1291","0.1293","","","","","","1.08","","","","has coordinates","215051","2020-10-21","18:00:00",""
"1545010","21.1206","0.0008","21.8158","0.0009","15.5581","0.0006","90","","111.402","0.003","90","","6674.3","0.5","296","2","296","2","","","","","","","","3","C 1 2/c 1","-C 2yc","15","","","","- C72 H50 F12 -","- C72 H50 F12 -","- C288 H200 F48 -","4","0.5","","Byun, Yearin; Cho, Moses; Kim, Daeok; Jung, Yousung; Coskun, Ali","Edge-Functionalized Graphene Nanoribbon Frameworks for the Capture and Separation of Greenhouse Gases","Macromolecules","2017","","","","","10.1021/acs.macromol.6b02483","","","0.71073","MoKα","","0.1759","0.0759","","","0.2065","0.2606","","","","","","1.007","","","","has coordinates,has disorder","190039","2020-10-21","18:00:00",""
"1545011","9.12236","0.0001","18.7734","0.0003","7.70271","0.0001","90","","108.576","0.001","90","","1250.42","0.03","173","","173","","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","<i>N</i>-Bromo-<i>S</i>-(4-nitrophenyl)-<i>S</i>-phenylsulfimide","","- C12 H9 Br N2 O2 S -","- C12 H9 Br N2 O2 S -","- C48 H36 Br4 N8 O8 S4 -","4","1","IS4014","Sheikh, Md. Chanmiya; Yoshimura, Toshiaki; Fujii, Takayoshi; Miyatake, Ryuta","<i>N</i>-Bromo-<i>S</i>-(4-nitrophenyl)-<i>S</i>-phenylsulfimide","IUCrData","2017","2","1","x162033","","10.1107/S2414314616020332","","","1.54187","CuKα","","","0.0374","","","","0.1007","","","","","","1.082","","","","has coordinates,has Fobs","190041","2020-10-21","18:00:00",""
"1545012","10.3476","0.0016","10.7877","0.0017","16.922","0.003","90","","106.214","0.008","90","","1813.8","0.5","173","","173","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C18 H25 N O4 -","- C18 H25 N O4 -","- C72 H100 N4 O16 -","4","1","SU4117","Janzen, Daron E.; Majerle, Rita S.; Novosad, Katie L.","<i>N</i>,<i>N</i>-Dibutylanilinium hydrogen squarate","IUCrData","2017","2","1","x162065","","10.1107/S2414314616020654","","","0.71075","MoKα","","0.0654","0.0444","","","0.0986","0.1076","","","","","","1.032","","","","has coordinates,has disorder,has Fobs","190042","2020-10-21","18:00:00",""
"1545013","11.0543","0.001","12.1612","0.001","12.3464","0.001","119.14","0.004","94.668","0.005","93.182","0.005","1436.2","0.2","173","2","173","2","","","","","","","","6","P -1","-P 1","2","","4-Iodo-<i>N</i>-(<i>o</i>-tolylsulfonyl)benzamide","","- C14 H12 I N O3 S -","- C14 H12 I N O3 S -","- C56 H48 I4 N4 O12 S4 -","4","2","","Naveen, S.; Suresha, E.; Sudha, A. G.; Lokanath, N. K.; Suchetan, P. A.; Abdoh, M.","4-Iodo-<i>N</i>-(<i>o</i>-tolylsulfonyl)benzamide","IUCrData","2017","2","1","x162030","","10.1107/S2414314616020307","","","1.54178","CuKα","","0.0814","0.0624","","","0.1633","0.1816","","","","","","1.05","","","","has coordinates,has Fobs","190043","2020-10-21","18:00:00",""
"1545014","10.4024","0.0015","17.797","0.002","10.2829","0.0014","90","","112.908","0.007","90","","1753.5","0.4","113","2","113","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","3-(4-Amino-3-ethyl-5-sulfanylidene-4,5-dihydro-1<i>H</i>-1,2,4-triazol-1-yl)-1,3-diphenylpropan-1-one","","- C19 H20 N4 O S -","- C19 H20 N4 O S -","- C76 H80 N16 O4 S4 -","4","1","SU4113","Xu, Jianchao; Wang, Hewen","3-(4-Amino-3-ethyl-5-sulfanylidene-4,5-dihydro-1<i>H</i>-1,2,4-triazol-1-yl)-1,3-diphenylpropan-1-one","IUCrData","2017","2","1","x162001","","10.1107/S2414314616020010","","","0.71073","MoKα","","0.0635","0.0447","","","0.0903","0.099","","","","","","0.971","","","","has coordinates,has Fobs","190044","2020-10-21","18:00:00",""
"1545015","11.139","0.007","6.979","0.004","12.546","0.008","90","","102.221","0.007","90","","953.2","1","100","2","100","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","<i>trans</i>-Diaquabis(1,1,1,5,5,5-hexafluoro-2,4-pentanedionato-κ<i>O</i>^2^,κ<i>O</i>^4^)cobalt(II) dihydrate","","- C10 H10 Co F12 O8 -","- C10 H10 Co F12 O8 -","- C20 H20 Co2 F24 O16 -","2","0.5","WM4036","Tominaga, Takumi; Mochida, Tomoyuki","<i>trans</i>-Diaquabis(1,1,1,5,5,5-hexafluoropentane-2,4-dionato-κ^2^<i>O</i>,<i>O</i>')cobalt(II) dihydrate","IUCrData","2017","2","1","x170002","","10.1107/S2414314617000025","","","0.71073","MoKα","","0.033","0.0298","","","0.0773","0.0795","","","","","","1.087","","","","has coordinates,has Fobs","191426","2020-10-21","18:00:00",""
"1545016","5.9923","0.0001","11.0704","0.0002","12.1128","0.0003","107.981","0.0009","91.3414","0.0009","97.2061","0.0009","756.6","0.03","294","2","294","2","","","","","","","","6","P -1","-P 1","2","","(<i>E</i>)-2-(5-Chloro-2-hydroxybenzylidene)-<i>N</i>-cyclohexylhydrazine-1-carbothioamide","","- C14 H18 Cl N3 O S -","- C14 H18 Cl N3 O S -","- C28 H36 Cl2 N6 O2 S2 -","2","1","SU4104","Arafath, Md. Azharul; Adam, Farook; Razali, Mohd. R.","(<i>E</i>)-2-(5-Chloro-2-hydroxybenzylidene)-<i>N</i>-cyclohexylhydrazine-1-carbothioamide","IUCrData","2017","2","1","x161997","","10.1107/S2414314616019970","","","0.71073","MoKα","","0.0603","0.0526","","","0.1263","0.1304","","","","","","1.123","","","","has coordinates,has Fobs","190046","2020-10-21","18:00:00",""
"1545017","7.1284","0.0002","12.2818","0.0003","18.3709","0.0005","75.625","0.002","88.538","0.002","86.553","0.002","1555.1","0.07","293","2","293","2","","","","","","","","6","P -1","-P 1","2","","(6-Fluoro-2-oxo-2<i>H</i>-chromen-4-yl)methyl diethylcarbamodithioate","","- C15 H16 F N O2 S2 -","- C15 H16 F N O2 S2 -","- C60 H64 F4 N4 O8 S8 -","4","2","SU4119","El-Khatatneh, Nasseem; Chandra; Rajesh, B. M.; Kumar, Shamantha; Doreswamy, B. H.; Mahendra, M.","(6-Fluoro-2-oxo-2<i>H</i>-chromen-4-yl)methyl diethylcarbamodithioate","IUCrData","2017","2","1","x162069","","10.1107/S2414314616020691","","","0.71073","MoKα","","0.0474","0.0363","","","0.0863","0.0935","","","","","","1.029","","","","has coordinates,has Fobs","190047","2020-10-21","18:00:00",""
"1545018","8.4001","0.0008","9.6239","0.0009","18.0037","0.0018","90","","90","","90","","1455.5","0.2","296","2","296","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","1-Ethyl-4-phenyl-1,5-benzodiazepine-2-thione","","- C17 H16 N2 S -","- C17 H16 N2 S -","- C68 H64 N8 S4 -","4","1","SJ4080","El Ghayati, Lhoussaine; Hamou Ahabchane, Noureddine; Lamine Doumbia, Mohamadou; Sebbar, Nada Kheira; Essassi, El Mokhtar; Mague, Joel T.","1-Ethyl-4-phenyl-1,5-benzodiazepine-2-thione","IUCrData","2017","2","1","x161998","","10.1107/S2414314616019982","","","0.71073","MoKα","","0.0871","0.0454","","","0.1031","0.1165","","","","","","1.016","","","","has coordinates,has Fobs","190048","2020-10-21","18:00:00",""
"1545019","23.44","0.003","4.6307","0.0006","10.6408","0.0013","90","","90","","90","","1155","0.3","100","2","100","2","","","","","","","","4","P c a 21","P 2c -2ac","29","","(<i>E</i>)-2-Methyl-6-{[(5-methylpyridin-2-yl)imino]methyl}phenol","","- C14 H14 N2 O -","- C14 H14 N2 O -","- C56 H56 N8 O4 -","4","1","HB4107","Arafath, Md. Azharul; Adam, Farook; Razali, Mohd. R.","(<i>E</i>)-2-Methyl-6-{[(5-methylpyridin-2-yl)imino]methyl}phenol","IUCrData","2017","2","1","x162009","","10.1107/S2414314616020095","","","0.71073","MoKα","","0.0458","0.041","","","0.1084","0.1121","","","","","","1.089","","","","has coordinates,has Fobs","190049","2020-10-21","18:00:00",""
"1545020","5.5512","0.0002","8.9374","0.0003","19.4754","0.0006","102.143","0.003","93.557","0.003","90.362","0.003","942.61","0.06","293.2","0.5","293.2","0.5","","","","","","","","3","P 1","P 1","1","","","","- C22 H22 O5 -","- C22 H22 O5 -","- C44 H44 O10 -","2","2","","Fu, Kai; Zhang, Jingchuan; Lin, Lili; Li, Jun; Liu, Xiaohua; Feng, Xiaoming","Chiral N,N′-Dioxide/Lanthanide(III) Complex Catalyzed Asymmetric Bisvinylogous Mukaiyama Aldol Reactions","Organic Letters","2017","","","","","10.1021/acs.orglett.6b03470","","x-ray","1.54184","CuKα","","0.05","0.0483","","","0.1265","0.1292","","","","","","1.071","","","","has coordinates","214153","2020-10-21","18:00:00",""
"1545021","8.351","0.004","27.156","0.014","8.545","0.004","90","","99.414","0.007","90","","1911.7","1.6","173","","173","","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","Tris(2-methoxyphenyl)phosphine selenide","","- C21 H21 O3 P Se -","- C21 H21 O3 P Se -","- C84 H84 O12 P4 Se4 -","4","1","","Raymundo, Melina; Padgett, Clifford W.; Lynch, Will E.","Tris(2-methoxyphenyl)phosphine selenide","IUCrData","2017","2","1","x170009","","10.1107/S2414314617000098","","","0.71075","MoKα","","0.042","0.0341","","","0.0772","0.0836","","","","","","1.088","","","","has coordinates,has Fobs","190360","2020-10-21","18:00:00",""
"1545025","30.0933","0.0006","8.439","0.00015","26.6268","0.0005","90","","95.566","0.0007","90","","6730.2","0.2","123","","123","","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","3,11-di(10H-phenothiazin-10-yl)dibenzo[a,j]phenazine","","- C45 H26 Cl N4 S2 -","- C45 H26 Cl N4 S2 -","- C360 H208 Cl8 N32 S16 -","8","1","","Okazaki, Masato; Takeda, Youhei; Data, Przemyslaw; Pander, Piotr; Higginbotham, Heather; Monkman, Andrew P.; Minakata, Satoshi","Thermally activated delayed fluorescent phenothiazine‒dibenzo[a,j]phenazine‒phenothiazine triads exhibiting tricolor-changing mechanochromic luminescence","Chem. Sci.","2017","8","4","2677","","10.1039/C6SC04863C","","","1.54187","CuKα","","","0.1215","","","","0.4004","","","","","","1.473","","","","has coordinates","194991","2020-10-21","18:00:00",""
"1545026","5.81321","0.00019","7.5432","0.0003","10.2777","0.0003","90","","93.249","0.003","90","","449.95","0.03","99.99","0.1","99.99","0.1","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","(E)-1,2-di(thiophen-2-yl)ethene","","- C10 H8 S2 -","- C10 H8 S2 -","- C20 H16 S4 -","2","0.5","","Viglianti, Lucia; Leung, Nelson L. C.; Xie, Ni; Gu, Xinggui; Sung, Herman H. Y.; Miao, Qian; Williams, Ian D.; Licandro, Emanuela; Tang, Ben Zhong","Aggregation-induced emission: mechanistic study of the clusteroluminescence of tetrathienylethene","Chem. Sci.","2017","8","4","2629","","10.1039/C6SC05192H","","x-ray","0.71073","MoKα","","0.0409","0.0368","","","0.0901","0.093","","","","","","1.005","","","","has coordinates,has disorder","195003","2020-10-21","18:00:00",""
"1545027","10.91901","0.00014","8.76755","0.00011","15.8755","0.0002","90","","93.1272","0.0011","90","","1517.55","0.03","100.1","0.5","100.1","0.5","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","4,5-bis(thiophene-2-yl)thieno[3,2-e]benzo[b]thiophene","","- C18 H10 S4 -","- C18 H10 S4 -","- C72 H40 S16 -","4","1","","Viglianti, Lucia; Leung, Nelson L. C.; Xie, Ni; Gu, Xinggui; Sung, Herman H. Y.; Miao, Qian; Williams, Ian D.; Licandro, Emanuela; Tang, Ben Zhong","Aggregation-induced emission: mechanistic study of the clusteroluminescence of tetrathienylethene","Chem. Sci.","2017","8","4","2629","","10.1039/C6SC05192H","","x-ray","1.54184","CuKα","","0.0274","0.0261","","","0.0652","0.0661","","","","","","1.002","","","","has coordinates,has disorder","195003","2020-10-21","18:00:00",""
"1545028","9.316","0.0002","9.10329","0.00018","9.6346","0.0002","90","","110.853","0.003","90","","763.55","0.03","100","0.4","100","0.4","","","","","","","","3","P 1 21/n 1","-P 2yn","14","Tetrathienylethene, TTE","1,1,2,2-tetra(thiophen-2-yl)ethene","","- C18 H12 S4 -","- C18 H12 S4 -","- C36 H24 S8 -","2","0.5","","Viglianti, Lucia; Leung, Nelson L. C.; Xie, Ni; Gu, Xinggui; Sung, Herman H. Y.; Miao, Qian; Williams, Ian D.; Licandro, Emanuela; Tang, Ben Zhong","Aggregation-induced emission: mechanistic study of the clusteroluminescence of tetrathienylethene","Chem. Sci.","2017","8","4","2629","","10.1039/C6SC05192H","","x-ray","1.54184","CuKα","","0.026","0.025","","","0.0783","0.0798","","","","","","1.002","","","","has coordinates,has disorder","195003","2020-10-21","18:00:00",""
"1545029","8.8456","0.0007","13.4959","0.0012","17.587","0.0017","92.181","0.004","98.685","0.004","106.652","0.003","1981.1","0.3","100","2","100","2","","","","","","","","5","P 1","P 1","1","","","","- C20 H24 N O5.5 P -","- C20 H24 N O5.5 P -","- C80 H96 N4 O22 P4 -","4","4","","Suneja, Arun; Unhale, Rajshekhar A.; Singh, Vinod K.","Enantioselective Hydrophosphonylation of in Situ Generated N-Acyl Ketimines Catalyzed by BINOL-Derived Phosphoric Acid.","Organic letters","2017","19","3","476","479","10.1021/acs.orglett.6b03623","","","0.71073","MoKα","","0.0582","0.0492","","","0.1131","0.1175","","","","","","1.041","","","","has coordinates","191385","2020-10-21","18:00:00",""
"1545030","5.6654","0.0015","8.296","0.002","13.194","0.004","83.624","0.018","85.285","0.016","79.966","0.016","605.6","0.3","296","2","296","2","","","","","","","","6","P -1","-P 1","2","","","","- C11 H10 Cl N O2 S -","- C11 H10 Cl N O2 S -","- C22 H20 Cl2 N2 O4 S2 -","2","1","","Modi, Anju; Ali, Wajid; Patel, Bhisma K.","Organocatalytic Regioselective Concomitant Thiocyanation and Acylation of Oxiranes Using Aroyl Isothiocyanates.","Organic letters","2017","","","","","10.1021/acs.orglett.6b03430","","","0.71073","MoKα","","0.0412","0.0372","","","0.1262","0.1329","","","","","","1.037","","","","has coordinates","190452","2020-10-21","18:00:00",""
"1545031","8.2271","0.0002","10.0704","0.0002","19.1028","0.0005","90","","98.364","0.001","90","","1565.84","0.06","296","2","296","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C17 H15 N O2 S -","- C17 H15 N O2 S -","- C68 H60 N4 O8 S4 -","4","1","","Modi, Anju; Ali, Wajid; Patel, Bhisma K.","Organocatalytic Regioselective Concomitant Thiocyanation and Acylation of Oxiranes Using Aroyl Isothiocyanates.","Organic letters","2017","","","","","10.1021/acs.orglett.6b03430","","","0.71073","MoKα","","0.0695","0.0568","","","0.1609","0.1722","","","","","","1.06","","","","has coordinates","190453","2020-10-21","18:00:00",""
"1545033","10.1622","0.0006","19.1448","0.0008","8.4373","0.0005","90","","102.425","0.003","90","","1603.06","0.15","293","2","293","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","1-Cyclohexyl-5-(2-hydroxycyclohexanecarbonyl)-3-nitropyridin-2(1H)-one","","- C18 H18 N2 O5 -","- C18 H18 N2 O5 -","- C72 H72 N8 O20 -","4","1","SU4102","Ranjani, T. Siva; Poomathi, N.; Vimala, G.; Perumal, Paramasivam T.; Murugesan, K. Sakthi","1-Cyclohexyl-5-(2-hydroxybenzoyl)-3-nitropyridin-2(1<i>H</i>)-one","IUCrData","2017","2","1","x170004","","10.1107/S2414314617000049","","","0.71073","MoKα","","0.056","0.0355","","","0.0815","0.0942","","","","","","1.037","","","","has coordinates,has disorder,has Fobs","190489","2020-10-21","18:00:00",""
"1545034","9.9869","0.0006","5.3008","0.0003","13.9874","0.0009","90","","93.106","0.002","90","","739.39","0.08","150","2","150","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","3-Phenylisoxazolin-5-one","","- C9 H7 N O2 -","- C9 H7 N O2 -","- C36 H28 N4 O8 -","4","1","HB4110","Essaghouani, Abdelhanine; Boulhaoua, Mohammed; El Ouasif, Latifa; Sebbar, Nada Kheira; Essassi, El Mokhtar; Mague, Joel T.","3-Phenylisoxazolin-5-one: a redetermination","IUCrData","2017","2","1","x170032","","10.1107/S2414314617000323","","","1.54178","CuKα","","0.0382","0.0338","","","0.0849","0.0886","","","","","","1.099","","","","has coordinates,has Fobs","190490","2020-10-21","18:00:00",""
"1545035","8.7383","0.0006","14.1443","0.0009","19.2405","0.0013","90.732","0.001","92.181","0.001","91.394","0.001","2375.4","0.3","298","2","298","2","","","","","","","","5","P -1","-P 1","2","","1-Benzyl-2-benzylsulfanyl-4,4-diphenyl-4,5-dihydro-1<i>H</i>-imidazol-5-one","","- C29 H24 N2 O S -","- C29 H24 N2 O S -","- C116 H96 N8 O4 S4 -","4","2","SU4121","Akrad, Rachida; Mague, Joel T.; Guerrab, Walid; Taoufik, Jamal; Ansar, Mhamed; Ramli, Youssef","1-Benzyl-2-benzylsulfanyl-4,4-diphenyl-4,5-dihydro-1<i>H</i>-imidazol-5-one","IUCrData","2017","2","1","x170033","","10.1107/S2414314617000335","","","0.71073","MoKα","","0.1064","0.0553","","","0.1371","0.1582","","","","","","0.996","","","","has coordinates,has disorder,has Fobs","190491","2020-10-21","18:00:00",""
"1545036","13.2381","0.0003","9.9265","0.0002","19.0348","0.0004","90","","100.693","0.001","90","","2457.89","0.09","293","2","293","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","1-Allyl-3'-phenyl-6'<i>H</i>-spiro[indoline-3,4'-isoxazolo[4',5':5,6]pyrido[2,3-<i>d</i>]pyrimidine]-2,5',7'(8'<i>H</i>,9'<i>H</i>)-trione dimethyl sulfoxide monosolvate","","- C26 H23 N5 O5 S -","- C26 H23 N5 O5 S -","- C104 H92 N20 O20 S4 -","4","1","SU4090","Seethalakshmi, P.; Palanivel, C.","1-Allyl-3'-phenyl-6'<i>H</i>-spiro[indoline-3,4'-isoxazolo[4',5':5,6]pyrido[2,3-<i>d</i>]pyrimidine]-2,5',7'(8'<i>H</i>,9'<i>H</i>)-trione dimethyl sulfoxide monosolvate","IUCrData","2017","2","1","x162044","","10.1107/S2414314616020447","","","0.71073","MoKα","","0.0602","0.0484","","","0.1317","0.1431","","","","","","0.993","","","","has coordinates,has Fobs","190492","2020-10-21","18:00:00",""
"1545037","20.7954","0.0006","6.2107","0.0002","11.7871","0.0003","90","","90.653","0.001","90","","1522.25","0.08","150","2","150","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","4-Cyclohexyl-3-[(3,5-dimethyl-1<i>H</i>-pyrazol-1-yl)methyl]-4,5-dihydro-1-<i>H</i>-1,2,4-triazole-5-thione","","- C14 H21 N5 S -","- C14 H21 N5 S -","- C56 H84 N20 S4 -","4","1","HB4109","Mague, Joel T.; Mohamed, Shaaban K.; Akkurt, Mehmet; Marzouk, Adel A.; Abdel-Rahman, Hamdy M.; Hawaiz, Farouq E.","4-Cyclohexyl-3-[(3,5-dimethyl-1<i>H</i>-pyrazol-1-yl)methyl]-4,5-dihydro-1<i>H</i>-1,2,4-triazole-5-thione","IUCrData","2017","2","1","x170020","","10.1107/S2414314617000207","","","1.54178","CuKα","","0.0542","0.0477","","","0.1101","0.1153","","","","","","1.047","","","","has coordinates,has disorder,has Fobs","190493","2020-10-21","18:00:00",""
"1545038","10.9903","0.0011","11.2364","0.0011","14.1608","0.0014","89.737","0.008","78.229","0.006","60.997","0.007","1488.2","0.3","173","2","173.15","","","","","","","","","5","P -1","-P 1","2","","<i>trans</i>-Acetyldicarbonyl(η^5^-cyclopentadienyl)[tris(3,5-dimethylphenyl)phosphane-κ<i>P</i>]molybdenum(II)","","- C33 H35 Mo O3 P -","- C33 H35 Mo O3 P -","- C66 H70 Mo2 O6 P2 -","2","1","","Whited, Matthew T.; Ruffer, Eli J.; Zhang, Jia; Rabaey, Dominique J.; Janzen, Daron E.","<i>trans</i>-Acetyldicarbonyl(η^5^-cyclopentadienyl)[tris(3,5-dimethylphenyl)phosphane-κ<i>P</i>]molybdenum(II)","IUCrData","2017","2","1","x170042","","10.1107/S2414314617000426","","","0.71075","MoKα","","0.0496","0.0378","","","0.0835","0.0883","","","","","","1.045","","","","has coordinates,has Fobs","190494","2020-10-21","18:00:00",""
"1545039","18.1163","0.0018","13.3947","0.0013","12.3002","0.0013","90","","104.223","0.004","90","","2893.3","0.5","296","2","296","2","","","","","","","","7","C 1 2/c 1","-C 2yc","15","","<i>N</i>-(4-Chlorophenylsulfonyl)-4-iodobenzamide","","- C13 H9 Cl I N O3 S -","- C13 H9 Cl I N O3 S -","- C104 H72 Cl8 I8 N8 O24 S8 -","8","1","","Naveen, S.; Sudha, A. G.; Suresha, E.; Lokanath, N. K.; Suchetan, P. A.; Warad, Ismail","<i>N</i>-(4-Chlorophenylsulfonyl)-4-iodobenzamide","IUCrData","2017","2","1","x170025","","10.1107/S2414314617000256","","","1.54178","CuKα","","0.0668","0.0638","","","0.1651","0.1724","","","","","","1.078","","","","has coordinates,has Fobs","190495","2020-10-21","18:00:00",""
"1545040","19.3473","0.0008","9.9623","0.0004","18.5845","0.0007","90","","116.194","0.002","90","","3214.2","0.2","296","2","296","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","(<i>Z</i>)-1,4-Bis(2-chlorophenyl)-2-(methylsulfanyl)but-2-ene-1,4-dione","","- C17 H12 Cl2 O2 S -","- C17 H12 Cl2 O2 S -","- C136 H96 Cl16 O16 S8 -","8","1","SU4115","Ravi, A. J.; Vinayaka, A. C.; Roopashree, K. R.; Sadashiva, M. P.; Devarajegowda., H. C.","(<i>Z</i>)-1,4-Bis(2-chlorophenyl)-2-(methylsulfanyl)but-2-ene-1,4-dione","IUCrData","2017","2","1","x162047","","10.1107/S2414314616020472","","","1.54178","CuKα","","0.0536","0.0518","","","0.1392","0.1411","","","","","","1.077","","","","has coordinates,has Fobs","190496","2020-10-21","18:00:00",""
"1545041","10.4412","0.0003","7.6959","0.0002","20.2651","0.0005","90","","102.311","0.002","90","","1590.95","0.07","296","2","296","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","Ethyl 2,2-dimethyl-4-oxo-6-phenyl-2,3-dihydro-4H-pyran-5-carboxylate","Ethyl 2,2-dimethyl-4-oxo-6-phenyl-2,3-dihydro-4H-pyran-5-carboxylate","","- C16 H17 Cl O4 -","- C16 H17 Cl O4 -","- C64 H68 Cl4 O16 -","4","1","TK4027","Sharmila, N.; Sundar, T. V.; Sakthivel, P.; Venkatesan, P.","Ethyl 6-(4-chlorophenyl)-2,2-dimethyl-4-oxo-3,4-dihydro-2<i>H</i>-pyran-5-carboxylate","IUCrData","2017","2","1","x170034","","10.1107/S2414314617000347","","","0.71073","MoKα","","0.0531","0.0369","","","0.0969","0.1084","","","","","","1.026","","","","has coordinates,has Fobs","190497","2020-10-21","18:00:00",""
"1545042","13.211","0.003","13.685","0.002","6.858","0.0014","90","","92.971","0.011","90","","1238.2","0.4","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","(<i>E</i>)-1-(4-Fluorophenyl)-2-(2-oxidonaphthalen-1-yl)diazen-1-ium","","- C16 H11 F N2 O -","- C16 H11 F N2 O -","- C64 H44 F4 N8 O4 -","4","1","HB4108","Bougueria, Hassiba; Chetioui, Souheyla; Mili, Assia; eddine Bouaoud, Salah; Merazig, Hocine","(<i>E</i>)-1-(4-Fluorophenyl)-2-(2-oxidonaphthalen-1-yl)diazen-1-ium","IUCrData","2017","2","1","x170039","","10.1107/S2414314617000396","","","0.71073","MoKα","","0.076","0.0424","","","0.1098","0.1242","","","","","","0.971","","","","has coordinates,has Fobs","190498","2020-10-21","18:00:00",""
"1545043","14.7725","0.0005","9.3588","0.0003","9.8079","0.0003","90","","116.308","0.0014","90","","1215.53","0.07","296","2","296","2","","","","","","","","5","C 1 c 1","C -2yc","9","4-[Bis(2-chloroethyl)amino]benzaldehyde","","","- C11 H13 Cl2 N O -","- C11 H13 Cl2 N O -","- C44 H52 Cl8 N4 O4 -","4","1","SU4089","Seethalakshmi, P.; Palanivel, C.","4-[Bis(2-chloroethyl)amino]benzaldehyde","IUCrData","2017","2","1","x162043","","10.1107/S2414314616020435","","","0.71073","MoKα","","0.0402","0.0378","","","0.0999","0.1025","","","","","","1.023","","","","has coordinates,has Fobs","190499","2020-10-21","18:00:00",""
"1545044","31.531","0.003","4.2752","0.0004","14.108","0.0013","90","","90","","90","","1901.8","0.3","150","2","150","2","","","","","","","","5","P n a 21","P 2c -2n","33","","5-Fluoro-1-(prop-2-en-1-yl)-2,3-dihydro-1<i>H</i>-indole-2,3-dione","","- C11 H8 F N O2 -","- C11 H8 F N O2 -","- C88 H64 F8 N8 O16 -","8","2","VM4020","Qachchachi, Fatim-Zahrae; Mague, Joel T.; Kandri Rodi, Youssef; Haoudi, Amal; Ouzidan, Younes; Essassi, El Mokhtar","5-Fluoro-1-(prop-2-en-1-yl)-2,3-dihydro-1<i>H</i>-indole-2,3-dione","IUCrData","2017","2","1","x170028","","10.1107/S2414314617000281","","","1.54178","CuKα","","0.0796","0.0726","","","0.1771","0.1888","","","","","","1.096","","","","has coordinates,has Fobs","190500","2020-10-21","18:00:00",""
"1545045","24.588","0.005","10.147","0.002","24.582","0.005","90","","92.11","0.03","90","","6129","2","180","2","180","2","","","","","","","","8","C 1 2/c 1","-C 2yc","15","","","","- C55 H23 Co F28 N4 O9 P3 Yb -","- C55 H23 Co F28 N4 O9 P3 Yb -","- C220 H92 Co4 F112 N16 O36 P12 Yb4 -","4","0.5","","Hu, Ji-Yun; Ning, Yingying; Meng, Yin-Shan; Zhang, Jing; Wu, Zhuo-Yan; Gao, Song; Zhang, Jun-Long","Highly near-IR emissive ytterbium(iii) complexes with unprecedented quantum yields","Chem. Sci.","2017","8","4","2702","","10.1039/C6SC05021B","","","0.71073","MoKα","","0.0335","0.0286","","","0.0681","0.0719","","","","","","1.052","","","","has coordinates,has disorder","195015","2020-10-21","18:00:00",""
"1545046","15.8901","0.0004","19.2041","0.0005","22.9477","0.0006","90","","90","","90","","7002.6","0.3","276.86","0.1","276.86","0.1","","","","","","","","9","C m c m","-C 2c 2","63","","","","- C57 H34 Cl5 Co F20 N4 O11 P3 Yb -","- C57 H34 Cl5 Co F20 N4 O11 P3 Yb -","- C228 H136 Cl20 Co4 F80 N16 O44 P12 Yb4 -","4","0.25","","Hu, Ji-Yun; Ning, Yingying; Meng, Yin-Shan; Zhang, Jing; Wu, Zhuo-Yan; Gao, Song; Zhang, Jun-Long","Highly near-IR emissive ytterbium(iii) complexes with unprecedented quantum yields","Chem. Sci.","2017","8","4","2702","","10.1039/C6SC05021B","","","0.71073","MoKα","","0.0524","0.0501","","","0.1492","0.1512","","","","","","1.111","","","","has coordinates,has disorder","195015","2020-10-21","18:00:00",""
"1545047","12.2948","0.0003","14.0793","0.0003","16.6204","0.0004","72.8693","0.0019","73.873","0.002","77.72","0.002","2614.22","0.11","180.01","0.1","180.01","0.1","","","","","","","","9","P -1","-P 1","2","","","","- C55 H25 Co D18 F8 N4 O9 P3 Yb -","- C55 H25 Co D18 F8 N4 O9 P3 Yb -","- C110 H50 Co2 D36 F16 N8 O18 P6 Yb2 -","2","1","","Hu, Ji-Yun; Ning, Yingying; Meng, Yin-Shan; Zhang, Jing; Wu, Zhuo-Yan; Gao, Song; Zhang, Jun-Long","Highly near-IR emissive ytterbium(iii) complexes with unprecedented quantum yields","Chem. Sci.","2017","8","4","2702","","10.1039/C6SC05021B","","x-ray","0.71073","MoKα","","0.0885","0.0762","","","0.1875","0.1999","","","","","","1.034","","","","has coordinates","195015","2020-10-21","18:00:00",""
"1545050","10.6431","0.0011","41.576","0.004","13.8546","0.0015","90","","110.763","0.005","90","","5732.5","1","100","2","100.02","","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C49 H42 F24 N8 O4 P4 -","- C49 H42 F24 N8 O4 P4 -","- C196 H168 F96 N32 O16 P16 -","4","1","","Wang, Yuping; Sun, Junling; Liu, Zhichang; Nassar, Majed S.; Botros, Youssry Y.; Stoddart, J. Fraser","Radically promoted formation of a molecular lasso","Chem. Sci.","2017","8","4","2562","","10.1039/C6SC05035B","","","0.71073","MoKα","","0.1417","0.0945","","","0.2626","0.3014","","","","","","1.023","","","","has coordinates,has disorder","195011","2020-10-21","18:00:00",""
"1545055","15.1202","0.0007","5.6812","0.0003","19.0459","0.0008","90","","97.578","0.004","90","","1621.77","0.13","175","","175","","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C18 H18 N2 O4 -","- C18 H18 N2 O4 -","- C72 H72 N8 O16 -","4","2","","Berthet, Mathéo; Legrand, Baptiste; Martinez, Jean; Parrot, Isabelle","A General Approach to the Aza-Diketomorpholine Scaffold","Organic Letters","2017","","","","","10.1021/acs.orglett.6b03656","","","1.54184","CuKα","","0.0635","0.0508","","0.0792","0.057","0.057","","","","","","1.0953","","","","has coordinates","190608","2020-10-21","18:00:00",""
"1545056","6.9175","0.0005","17.6267","0.0013","12.0029","0.0009","90","","91.017","0.001","90","","1463.32","0.19","100","2","100","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","<i>catena</i>-Poly[[μ~2~-4,4'-bis(pyridin-3-ylethynyl)-1,1'-biphenyl-κ^2^<i>N</i>:<i>N</i>']bis(μ~2~-thiocyanato-κ^2^<i>N</i>:<i>S</i>)bis(thiocyanato-κ<i>S</i>)dimercury(II)]","","- C30 H16 Hg2 N6 S4 -","- C30 H16 Hg2 N6 S4 -","- C60 H32 Hg4 N12 S8 -","2","0.5","BH4022","Tan, Shuzhi; Liu, Leili; Du, Yongli","<i>catena</i>-Poly[[μ~2~-4,4'-bis(pyridin-3-ylethynyl)-1,1'-biphenyl-κ^2^<i>N</i>:<i>N</i>']bis(μ~2~-thiocyanato-κ^2^<i>N</i>:<i>S</i>)bis(thiocyanato-κ<i>S</i>)dimercury(II)]","IUCrData","2017","2","1","x170059","","10.1107/S2414314617000591","","","0.71073","MoKα","","0.0354","0.0276","","","0.0592","0.0615","","","","","","1.016","","","","has coordinates,has Fobs","190610","2020-10-21","18:00:00",""
"1545057","7.0373","0.0004","20.7068","0.0014","8.4725","0.0006","90","","92.088","0.003","90","","1233.79","0.14","295","2","295","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","9-Fluoro-2,4,4a,6-tetrahydrospiro[benzo[<i>c</i>]chromene-3,2'-[1,3]dioxolane]","","- C15 H15 F O3 -","- C15 H15 F O3 -","- C60 H60 F4 O12 -","4","1","","Ayswariya, I.; Rajalakshmi, P.; Krishnakumar, R.V.; Srinivasan, N.","9-Fluoro-2,4,4a,6-tetrahydrospiro[benzo[<i>c</i>]chromene-3,2'-[1,3]dioxolane]","IUCrData","2017","2","1","x170045","","10.1107/S2414314617000451","","","0.71073","MoKα","","0.0952","0.0453","","","0.0953","0.1211","","","","","","1.005","","","","has coordinates,has Fobs","190611","2020-10-21","18:00:00",""
"1545066","9.3634","0.0006","5.3559","0.0003","13.9632","0.0008","90","","107.183","0.006","90","","668.99","0.07","85","2","85","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C14 H17 N O4 -","- C14 H17 N O4 -","- C28 H34 N2 O8 -","2","1","","Lee, Melissa; Sanford, Melanie S.","Remote C(sp(3))-H Oxygenation of Protonated Aliphatic Amines with Potassium Persulfate.","Organic letters","2017","19","3","572","575","10.1021/acs.orglett.6b03731","","","1.54178","CuKα","","0.0628","0.0547","","","0.1525","0.1615","","","","","","0.975","","","","has coordinates","191386","2020-10-21","18:00:00",""
"1545067","8.5445","0.0001","9.1514","0.0002","19.7296","0.0004","90","","90","","90","","1542.74","0.05","100","2","100","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C16 H18 Cl N3 O -","- C16 H18 Cl N3 O -","- C64 H72 Cl4 N12 O4 -","4","1","","Maury, Julien; Zawodny, Wojciech; Clayden, Jonathan","Stereospecific Intramolecular Arylation of 2- and 3-Pyridyl Substituted Alkylamines via Configurationally Stable α-Pyridyl Organolithiums.","Organic letters","2017","19","3","472","475","10.1021/acs.orglett.6b03603","","","1.54178","CuKα","","0.0261","0.0247","","","0.0617","0.0623","","","","","","1.04","","","","has coordinates","191393","2020-10-21","18:00:00",""
"1545073","7.03255","0.00003","5.86684","0.00002","9.3856","0.00004","90","","90","","90","","387.239","0.003","","","","","","","","","","","","4","P n m a","-P 2ac 2n","62","","","","- Ag Ca O4 V -","- Ag Ca O4 V -","- Ag4 Ca4 O16 V4 -","4","0.5","","PANalytical","AgCaVO4 : structure solution from a benchtop X-ray powder diffractometer","Aeris Research Edition","2017","1","","1","2","","","x-ray","1.54184","CuKα","","","","","","","","","","","","","","","","","has coordinates","190700","2020-10-21","18:00:00",""
"1545087","11.0097","0.0003","13.4734","0.0003","18.182","0.0004","90","","97.777","0.002","90","","2672.28","0.11","294.98","0.11","294.98","0.11","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C36 H31 N O -","- C36 H31 N O -","- C144 H124 N4 O4 -","4","1","","Tang, Junbin; Li, Shiqing; Liu, Zheng; Zhao, Yinsong; She, Zhijie; Kadam, Vilas D.; Gao, Ge; Lan, Jingbo; You, Jingsong","Cascade C-H Annulation of Aldoximes with Alkynes Using O2 as the Sole Oxidant: One-Pot Access to Multisubstituted Protoberberine Skeletons.","Organic letters","2017","19","3","604","607","10.1021/acs.orglett.6b03772","","x-ray","1.54184","CuKα","","0.0635","0.0534","","","0.1442","0.1572","","","","","","1.047","","","","has coordinates","191391","2020-10-21","18:00:00",""
"1545090","11.355","0.003","13.612","0.003","16.835","0.004","90","","90","","90","","2602.1","1.1","100","2","100","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","isopropyl ((R)-(((2R,3R,4R,5R)-5-(2,4-dioxo-3,4-dihydropyrimidin-1(2H)-yl)-4-fluoro-2-(hydroxymethyl)-4-methyltetrahydrofuran-3-yl)oxy)(phenoxy)phosphoryl)-D-alaninate","","- C22 H29 F N3 O9 P -","- C22 H29 F N3 O9 P -","- C88 H116 F4 N12 O36 P4 -","4","1","","McCabe Dunn, Jamie M.; Reibarkh, Mikhail; Sherer, Edward C.; Orr, Robert K.; Ruck, Rebecca T.; Simmons, Bryon; Bellomo, Ana","The protecting-group free selective 3′-functionalization of nucleosides","Chem. Sci.","2017","8","4","2804","","10.1039/C6SC05081F","","","1.54178","CuKα","","0.0575","0.0435","","","0.1022","0.1095","","","","","","1.008","","","","has coordinates","211332","2020-10-21","18:00:00",""
"1545091","5.2533","0.0002","12.0015","0.0005","16.3874","0.0007","74.879","0.002","84.088","0.002","80.148","0.002","980.85","0.07","100","2","100","2","","","","","","","","6","P 1","P 1","1","","isopropyl ((R)-(perfluorophenoxy)(phenoxy)phosphoryl)-D-alaninate","","- C18 H17 F5 N O5 P -","- C18 H17 F5 N O5 P -","- C36 H34 F10 N2 O10 P2 -","2","2","","McCabe Dunn, Jamie M.; Reibarkh, Mikhail; Sherer, Edward C.; Orr, Robert K.; Ruck, Rebecca T.; Simmons, Bryon; Bellomo, Ana","The protecting-group free selective 3′-functionalization of nucleosides","Chem. Sci.","2017","8","4","2804","","10.1039/C6SC05081F","","","1.54178","CuKα","","0.0368","0.0351","","","0.0865","0.0877","","","","","","0.989","","","","has coordinates","211332","2020-10-21","18:00:00",""
"1545092","19.2401","0.0006","7.48163","0.00017","19.9656","0.0006","90","","104.461","0.003","90","","2782.94","0.14","140","0.1","140","0.1","","","","","","","","4","C 1 2 1","C 2y","5","","","","- C16 H15 Br O2 -","- C16 H15 Br O2 -","- C128 H120 Br8 O16 -","8","2","","Kossler, D.; Cramer, N.","Neutral chiral cyclopentadienyl Ru(ii)Cl catalysts enable enantioselective [2+2]-cycloadditions","Chem. Sci.","2017","8","3","1862","","10.1039/C6SC05092A","","x-ray","1.54184","CuKα","","0.0352","0.0327","","","0.0833","0.0852","","","","","","1.034","","","","has coordinates","193750","2020-10-21","18:00:00",""
"1545093","10.9092","0.0006","12.5543","0.0004","15.2599","0.0009","86.71","0.004","83.989","0.005","89.249","0.004","2074.99","0.18","100","0.1","100.01","0.1","","","","","","","","5","P 1","P 1","1","","","","- C54 H51 Cl O2 Ru -","- C54 H51 Cl O2 Ru -","- C108 H102 Cl2 O4 Ru2 -","2","2","","Kossler, D.; Cramer, N.","Neutral chiral cyclopentadienyl Ru(ii)Cl catalysts enable enantioselective [2+2]-cycloadditions","Chem. Sci.","2017","8","3","1862","","10.1039/C6SC05092A","","x-ray","1.54184","CuKα","","0.0629","0.0535","","","0.1404","0.1545","","","","","","1.09","","","","has coordinates,has disorder","193750","2020-10-21","18:00:00",""
"1545094","12.7416","0.0003","15.3629","0.0004","22.5851","0.0006","90","","90","","90","","4420.99","0.19","100","2","100","2","","","","","","","","8","P 21 21 21","P 2ac 2ab","19","","","","- C46 H50 Br Cl2 N3 O2 P2 Pd -","- C46 H50 Br Cl2 N3 O2 P2 Pd -","- C184 H200 Br4 Cl8 N12 O8 P8 Pd4 -","4","1","","Ji, Yining; Li, Hongming; Hyde, Alan M.; Chen, Qinghao; Belyk, Kevin M.; Lexa, Katrina W.; Yin, Jingjun; Sherer, Edward C.; Williamson, R. Thomas; Brunskill, Andrew; Ren, Sumei; Campeau, Louis-Charles; Davies, Ian W.; Ruck, Rebecca T.","A rational pre-catalyst design for bis-phosphine mono-oxide palladium catalyzed reactions","Chem. Sci.","2017","8","4","2841","","10.1039/C6SC05472B","","","1.54178","CuKα","","0.0214","0.0205","","","0.0506","0.0511","","","","","","1.044","","","","has coordinates,has disorder","211332","2020-10-21","18:00:00",""
"1545095","7.6802","0.0004","15.4523","0.0007","18.383","0.0009","90","","90","","90","","2181.63","0.18","100","2","100","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C18 H28 Br2 N2 P2 Pd -","- C18 H28 Br2 N2 P2 Pd -","- C72 H112 Br8 N8 P8 Pd4 -","4","1","","Ji, Yining; Li, Hongming; Hyde, Alan M.; Chen, Qinghao; Belyk, Kevin M.; Lexa, Katrina W.; Yin, Jingjun; Sherer, Edward C.; Williamson, R. Thomas; Brunskill, Andrew; Ren, Sumei; Campeau, Louis-Charles; Davies, Ian W.; Ruck, Rebecca T.","A rational pre-catalyst design for bis-phosphine mono-oxide palladium catalyzed reactions","Chem. Sci.","2017","8","4","2841","","10.1039/C6SC05472B","","","1.54178","CuKα","","0.0263","0.0246","","","0.0556","0.057","","","","","","1.085","","","","has coordinates","211332","2020-10-21","18:00:00",""
"1545096","23.434","0.0011","10.7208","0.0005","10.6091","0.0005","90","","95.3448","0.0014","90","","2653.7","0.2","100","2","100","2","","","","","","","","7","C 1 2 1","C 2y","5","","","","- C25 H32 Br N3 O P2 Pd -","- C25 H32 Br N3 O P2 Pd -","- C100 H128 Br4 N12 O4 P8 Pd4 -","4","1","","Ji, Yining; Li, Hongming; Hyde, Alan M.; Chen, Qinghao; Belyk, Kevin M.; Lexa, Katrina W.; Yin, Jingjun; Sherer, Edward C.; Williamson, R. Thomas; Brunskill, Andrew; Ren, Sumei; Campeau, Louis-Charles; Davies, Ian W.; Ruck, Rebecca T.","A rational pre-catalyst design for bis-phosphine mono-oxide palladium catalyzed reactions","Chem. Sci.","2017","8","4","2841","","10.1039/C6SC05472B","","","1.54178","CuKα","","0.0234","0.0229","","","0.0562","0.0566","","","","","","1.076","","","","has coordinates","211332","2020-10-21","18:00:00",""
"1545097","8.7715","0.0004","15.9157","0.0008","36.3389","0.0018","90","","90","","90","","5073.1","0.4","296","2","296","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C26 H24 N2 O6 S2 -","- C26 H24 N2 O6 S2 -","- C208 H192 N16 O48 S16 -","8","2","","Liu, Ren-Rong; Hu, Jiang-Ping; Hong, Jian-Jun; Lu, Chuan-Jun; Gao, Jian-Rong; Jia, Yi-Xia","Enantioselective [2 + 2] cycloaddition of N-allenamides with cyclic N-sulfonylketimines: access to polysubstituted azetidines bearing quaternary stereocenters","Chem. Sci.","2017","8","4","2811","","10.1039/C6SC05450A","","","0.71073","MoKα","","0.0542","0.042","","","0.0976","0.1043","","","","","","1.065","","","","has coordinates","195000","2020-10-21","18:00:00",""
"1545098","15.2642","0.0008","15.1883","0.0009","6.0321","0.0007","90","","96.7418","0.0016","90","","1388.8","0.2","300","","300","","","","","","","","","3","C 1 c 1","C -2yc","9","","","","- C17 H14 S2 -","- C17 H14 S2 -","- C68 H56 S8 -","4","1","","Minemawari, Hiromi; Tanaka, Mutsuo; Tsuzuki, Seiji; Inoue, Satoru; Yamada, Toshikazu; Kumai, Reiji; Shimoi, Yukihiro; Hasegawa, Tatsuo","Enhanced Layered-Herringbone Packing due to Long Alkyl Chain Substitution in Solution-Processable Organic Semiconductors","Chemistry of Materials","2017","29","3","1245","","10.1021/acs.chemmater.6b04628","","","0.71075","MoKα","","0.03","0.0268","","","0.0655","0.0669","","","","","","1.015","","","","has coordinates","193408","2020-10-21","18:00:00",""
"1545099","9.1532","0.0005","6.0178","0.0003","11.7576","0.0007","90","","94.1913","0.0013","90","","645.9","0.06","300","","300","","","","","","","","","3","P 1 21 1","P 2yb","4","","","","- C16 H12 S2 -","- C16 H12 S2 -","- C32 H24 S4 -","2","1","","Minemawari, Hiromi; Tanaka, Mutsuo; Tsuzuki, Seiji; Inoue, Satoru; Yamada, Toshikazu; Kumai, Reiji; Shimoi, Yukihiro; Hasegawa, Tatsuo","Enhanced Layered-Herringbone Packing due to Long Alkyl Chain Substitution in Solution-Processable Organic Semiconductors","Chemistry of Materials","2017","29","3","1245","","10.1021/acs.chemmater.6b04628","","","0.6893","synchrotron","","0.051","0.0369","","","0.0738","0.0774","","","","","","0.908","","","","has coordinates","193408","2020-10-21","18:00:00",""
"1545100","11.954","0.003","9.072","0.003","19.907","0.002","90","","101.38","0.03","90","","2116.4","0.9","100","2","100","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C50 H58 N2 O4 Zn2 -","- C50 H58 N2 O4 Zn2 -","- C100 H116 N4 O8 Zn4 -","2","0.5","","Jędrzkiewicz, Dawid; Adamus, Grażyna; Kwiecień, Michał; John, Łukasz; Ejfler, Jolanta","Lactide as the Playmaker of the ROP Game: Theoretical and Experimental Investigation of Ring-Opening Polymerization of Lactide Initiated by Aminonaphtholate Zinc Complexes.","Inorganic chemistry","2017","56","3","1349","1365","10.1021/acs.inorgchem.6b02439","","","0.71073","MoKα","","0.0716","0.0462","","","0.0791","0.0886","","","","","","1.024","","","","has coordinates,has disorder","193448","2020-10-21","18:00:00",""
"1545101","23.384","0.008","13.614","0.004","16.424","0.006","90","","105.23","0.03","90","","5045","3","150","2","150","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C59 H70 N2 O4 Zn2 -","- C59 H70 N2 O4 Zn2 -","- C236 H280 N8 O16 Zn8 -","4","0.5","","Jędrzkiewicz, Dawid; Adamus, Grażyna; Kwiecień, Michał; John, Łukasz; Ejfler, Jolanta","Lactide as the Playmaker of the ROP Game: Theoretical and Experimental Investigation of Ring-Opening Polymerization of Lactide Initiated by Aminonaphtholate Zinc Complexes.","Inorganic chemistry","2017","56","3","1349","1365","10.1021/acs.inorgchem.6b02439","","","0.71073","MoKα","","0.0637","0.0434","","","0.1147","0.124","","","","","","0.969","","","","has coordinates,has disorder","193448","2020-10-21","18:00:00",""
"1545102","14.482","0.006","15.42","0.007","27.296","0.009","90","","90","","90","","6096","4","110","2","110","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C36 H44 N2 O2 Zn -","- C36 H44 N2 O2 Zn -","- C288 H352 N16 O16 Zn8 -","8","1","","Jędrzkiewicz, Dawid; Adamus, Grażyna; Kwiecień, Michał; John, Łukasz; Ejfler, Jolanta","Lactide as the Playmaker of the ROP Game: Theoretical and Experimental Investigation of Ring-Opening Polymerization of Lactide Initiated by Aminonaphtholate Zinc Complexes.","Inorganic chemistry","2017","56","3","1349","1365","10.1021/acs.inorgchem.6b02439","","","1.54184","CuKα","","0.1172","0.0648","","","0.1466","0.1808","","","","","","1.004","","","","has coordinates","193448","2020-10-21","18:00:00",""
"1545103","5.986","0.002","12.333","0.003","23.801","0.006","102.2","0.03","96.27","0.02","96.31","0.02","1691.1","0.9","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","","","- C36 H56 N2 O2 Zn -","- C36 H56 N2 O2 Zn -","- C72 H112 N4 O4 Zn2 -","2","1","","Jędrzkiewicz, Dawid; Adamus, Grażyna; Kwiecień, Michał; John, Łukasz; Ejfler, Jolanta","Lactide as the Playmaker of the ROP Game: Theoretical and Experimental Investigation of Ring-Opening Polymerization of Lactide Initiated by Aminonaphtholate Zinc Complexes.","Inorganic chemistry","2017","56","3","1349","1365","10.1021/acs.inorgchem.6b02439","","","0.71073","MoKα","","0.0485","0.044","","","0.1105","0.1144","","","","","","1.037","","","","has coordinates","193448","2020-10-21","18:00:00",""
"1545104","12.7437","0.0007","15.8667","0.0007","21.9272","0.0009","74.729","0.002","86.099","0.002","68.806","0.003","3986","0.3","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C20.33 H40.67 B6 Cl0.67 Ir2 -","- C20.3333 H32.6667 B6 Cl0.666667 Ir2 -","- C122 H196 B36 Cl4 Ir12 -","6","3","","Borthakur, Rosmita; Kar, Sourav; Barik, Subrat Kumar; Bhattacharya, Somnath; Kundu, Gargi; Varghese, Babu; Ghosh, Sundargopal","Synthesis, Chemistry, and Electronic Structures of Group 9 Metallaboranes.","Inorganic chemistry","2017","56","3","1524","1533","10.1021/acs.inorgchem.6b02626","","","0.71073","MoKα","","0.1091","0.0534","","","0.1057","0.1307","","","","","","1.053","","","","has coordinates,has disorder","193458","2020-10-21","18:00:00",""
"1545105","18.0776","0.0006","23.0282","0.0009","16.1926","0.0005","90","","90","","90","","6740.9","0.4","296","2","296","2","","","","","","","","5","P b c n","-P 2n 2ab","60","","","","- C30 H49 B5 Cl Ir3 -","- C30 H49 B5 Cl Ir3 -","- C240 H392 B40 Cl8 Ir24 -","8","1","","Borthakur, Rosmita; Kar, Sourav; Barik, Subrat Kumar; Bhattacharya, Somnath; Kundu, Gargi; Varghese, Babu; Ghosh, Sundargopal","Synthesis, Chemistry, and Electronic Structures of Group 9 Metallaboranes.","Inorganic chemistry","2017","56","3","1524","1533","10.1021/acs.inorgchem.6b02626","","","0.71073","MoKα","","0.0899","0.0556","","","0.1158","0.1357","","","","","","1.114","","","","has coordinates,has disorder","193458","2020-10-21","18:00:00",""
"1545106","33.2362","0.0007","10.6642","0.0002","16.7899","0.0004","90","","111.793","0.0008","90","","5525.7","0.2","296","2","296","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C41 H82 B20 Cl2 Ir4 -","- C41 H82 B20 Cl2 Ir4 -","- C164 H328 B80 Cl8 Ir16 -","4","0.5","","Borthakur, Rosmita; Kar, Sourav; Barik, Subrat Kumar; Bhattacharya, Somnath; Kundu, Gargi; Varghese, Babu; Ghosh, Sundargopal","Synthesis, Chemistry, and Electronic Structures of Group 9 Metallaboranes.","Inorganic chemistry","2017","56","3","1524","1533","10.1021/acs.inorgchem.6b02626","","","0.71073","MoKα","","0.0306","0.0236","","","0.0534","0.0561","","","","","","1.026","","","","has coordinates","193458","2020-10-21","18:00:00",""
"1545107","16.6847","0.0006","14.6954","0.0006","10.9866","0.0004","90","","90","","90","","2693.79","0.18","293","2","293","2","","","","","","","","5","P n m a","-P 2ac 2n","62","","","","- C20 H38 B10 Ir2 O2 -","- C20 H38 B10 Ir2 O2 -","- C80 H152 B40 Ir8 O8 -","4","0.5","","Borthakur, Rosmita; Kar, Sourav; Barik, Subrat Kumar; Bhattacharya, Somnath; Kundu, Gargi; Varghese, Babu; Ghosh, Sundargopal","Synthesis, Chemistry, and Electronic Structures of Group 9 Metallaboranes.","Inorganic chemistry","2017","56","3","1524","1533","10.1021/acs.inorgchem.6b02626","","","0.71073","MoKα","","0.0477","0.0346","","","0.0858","0.0962","","","","","","1.137","","","","has coordinates,has disorder","193458","2020-10-21","18:00:00",""
"1545108","19.911","0.005","12.631","0.002","17.268","0.004","90","","103.586","0.007","90","","4221.3","1.6","296","2","296","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C38 H54 Au B6 Co2 P -","- C38 H54 Au B6 Co2 P -","- C152 H216 Au4 B24 Co8 P4 -","4","1","","Borthakur, Rosmita; Kar, Sourav; Barik, Subrat Kumar; Bhattacharya, Somnath; Kundu, Gargi; Varghese, Babu; Ghosh, Sundargopal","Synthesis, Chemistry, and Electronic Structures of Group 9 Metallaboranes.","Inorganic chemistry","2017","56","3","1524","1533","10.1021/acs.inorgchem.6b02626","","","0.71073","MoKα","","0.0692","0.0346","","","0.0676","0.0757","","","","","","0.916","","","","has coordinates","193458","2020-10-21","18:00:00",""
"1545109","7.9986","0.0016","10.37","0.002","11.701","0.002","106.83","0.03","106.02","0.03","104.49","0.03","833.4","0.4","113","2","113","2","","","","","","","","5","P -1","-P 1","2","","","","- C15 H16 N4 O4 S -","- C15 H16 N4 O4 S -","- C30 H32 N8 O8 S2 -","2","1","","Chen, Lai; Zhu, Yu-Jie; Fan, Zhijin; Guo, Xiao-Feng; Zhang, Zhi-Ming; Xu, Jing-Hua; Song, Ying-Qi; Morzherin, Yury Yurievich; Belskaya, Nataliya P.; Bakulev, Vasiliy A.","Synthesis of 1,2,3-Thiadizole and Thiazole Based Strobilurins as Potent Fungicide Candidates.","Journal of agricultural and food chemistry","2017","","","","","10.1021/acs.jafc.6b05128","","","0.71073","MoKα","","0.0483","0.0359","","","0.101","0.1058","","","","","","1.029","","","","has coordinates","190790","2020-10-21","18:00:00",""
"1545110","9.7966","0.0006","10.1428","0.0007","13.7518","0.001","106.645","0.006","99.595","0.006","109.141","0.006","1184.44","0.17","180.01","0.1","180.01","0.1","","","","","","","","5","P -1","-P 1","2","","","","- C27 H29 N2 O4 S -","- C27 H29 N2 O4 S -","- C54 H58 N4 O8 S2 -","2","1","","Lu, Yandong; Yuan, Haosen; Zhou, Shijie; Luo, Tuoping","Total Syntheses of (-)-Hibiscone C and Lysergine: A Cyclization/Fragmentation Strategy.","Organic letters","2017","19","3","620","623","10.1021/acs.orglett.6b03778","","","0.71073","MoKα","","0.1056","0.0686","","","0.1773","0.2132","","","","","","1.052","","","","has coordinates","191388","2020-10-21","18:00:00",""
"1545111","11.608","","11.634","","4.634","","90","","90","","90","","625.81","","293","","293","","16.5","","16.5","","","","","1","P 21/b 1 1","-P 2xab","14","Barium","BaIVb at high pressure of 16.5 GPa","","- Ba -","- Ba1.25 -","- Ba20 -","16","4","","Arakcheeva, Alla; Bykov, Maxim; Bykova, Elena; Dubrovinsky, Leonid; Pattison, Phil; Dmitriev, Vladimir; Chapuis, Gervais","Incommensurate atomic density waves in the high-pressure IVb phase of barium","IUCrJ","2017","4","2","152","157","10.1107/S2052252517000264","","x-ray","0.4151","synchrotron","","0.0909","0.0909","","","0.0638","0.0638","","","","4.93","4.93","4.93","","","","has coordinates","193979","2020-10-21","18:00:00",""
"1545112","11.6146","","11.6256","","4.6341","","90","","90","","90","","625.727","","293","","293","","","","17.4","","","","","1","P 21/b 1 1","-P 2xab","14","Barium","BaIVb at high pressure of 17.4 GPa","","- Ba -","- Ba1.25 -","- Ba20 -","16","4","","Arakcheeva, Alla; Bykov, Maxim; Bykova, Elena; Dubrovinsky, Leonid; Pattison, Phil; Dmitriev, Vladimir; Chapuis, Gervais","Incommensurate atomic density waves in the high-pressure IVb phase of barium","IUCrJ","2017","4","2","152","157","10.1107/S2052252517000264","","x-ray","0.4151","synchrotron","","0.0989","0.0989","","","0.0796","0.0796","","","","4.11","4.11","4.11","","","","has coordinates","193979","2020-10-21","18:00:00",""
"1545113","11.5313","","11.6527","","4.6109","","90","","90","","90","","619.57","","293","","293","","18.2","","18.2","","","","","1","P 21/b 1 1","-P 2xab","14","Barium","BaIVb at high pressure of 18.2 GPa","","- Ba -","- Ba1.25 -","- Ba20 -","16","4","","Arakcheeva, Alla; Bykov, Maxim; Bykova, Elena; Dubrovinsky, Leonid; Pattison, Phil; Dmitriev, Vladimir; Chapuis, Gervais","Incommensurate atomic density waves in the high-pressure IVb phase of barium","IUCrJ","2017","4","2","152","157","10.1107/S2052252517000264","","x-ray","0.4151","synchrotron","","0.0928","0.0928","","","0.0658","0.0658","","","","1.04","1.04","1.04","","","","has coordinates","193979","2020-10-21","18:00:00",""
"1545114","11.5457","","11.5882","","4.599","","90","","90","","90","","615.318","","293","","293","","18.5","","18.5","","","","","1","P 21/b 1 1","-P 2xab","14","Barium","BaIVb at high pressure of 18.5 GPa","","- Ba -","- Ba1.25 -","- Ba20 -","16","4","","Arakcheeva, Alla; Bykov, Maxim; Bykova, Elena; Dubrovinsky, Leonid; Pattison, Phil; Dmitriev, Vladimir; Chapuis, Gervais","Incommensurate atomic density waves in the high-pressure IVb phase of barium","IUCrJ","2017","4","2","152","157","10.1107/S2052252517000264","","x-ray","0.4151","synchrotron","","0.1531","0.1531","","","0.1046","0.1046","","","","3.97","3.97","3.97","","","","has coordinates","193979","2020-10-21","18:00:00",""
"1545115","11.4996","","11.5527","","4.6035","","90","","90","","90","","611.582","","293","","293","","19","","19","","","","","1","P 21/b 1 1","-P 2xab","14","Barium","BaIVb at high pressure of 19.0 GPa","","- Ba -","- Ba1.25 -","- Ba20 -","16","4","","Arakcheeva, Alla; Bykov, Maxim; Bykova, Elena; Dubrovinsky, Leonid; Pattison, Phil; Dmitriev, Vladimir; Chapuis, Gervais","Incommensurate atomic density waves in the high-pressure IVb phase of barium","IUCrJ","2017","4","2","152","157","10.1107/S2052252517000264","","x-ray","0.4151","synchrotron","","0.1441","0.1441","","","0.0963","0.0963","","","","1.62","1.62","1.62","","","","has coordinates","193979","2020-10-21","18:00:00",""
"1545116","11.439","0.003","11.53","0.007","4.5937","0.0014","90","","90","","90","","605.9","0.4","293","","293","","19.6","","19.6","","","","","1","P 21/b 1 1","-P 2xab","14","Barium","BaIVb at high pressure of 19.6 GPa","","- Ba -","- Ba1.25 -","- Ba20 -","16","4","","Arakcheeva, Alla; Bykov, Maxim; Bykova, Elena; Dubrovinsky, Leonid; Pattison, Phil; Dmitriev, Vladimir; Chapuis, Gervais","Incommensurate atomic density waves in the high-pressure IVb phase of barium","IUCrJ","2017","4","2","152","157","10.1107/S2052252517000264","","x-ray","0.4151","synchrotron","","0.0966","0.0966","","","0.0673","0.0673","","","","1.26","1.26","1.26","","","","has coordinates","193979","2020-10-21","18:00:00",""
"1545117","7.4379","0.0004","18.736","0.0011","25.4469","0.0014","90","","90","","90","","3546.2","0.3","173","2","173","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","2,2'-[(1<i>E</i>,1'<i>E</i>)-1,2-Phenylenebis(azanylylidene)bis(methanylylidene)]bis(4-bromophenol)","","- C20 H14 Br2 N2 O2 -","- C20 H14 Br2 N2 O2 -","- C160 H112 Br16 N16 O16 -","8","1","","Dekar, Souad; Bendia, Sabrina; Ouari, Kamel","2,2'-[(1<i>E</i>,1'<i>E</i>)-1,2-Phenylenebis(azanylylidene)bis(methanylylidene)]bis(4-bromophenol)","IUCrData","2017","2","1","x170077","","10.1107/S2414314617000773","","","0.71073","MoKα","","0.0597","0.0365","","","0.0665","0.0722","","","","","","1.041","","","","has coordinates,has Fobs","190802","2020-10-21","18:00:00",""
"1545118","9.2966","0.0004","23.0723","0.0011","9.8089","0.0004","90","","109.663","0.001","90","","1981.26","0.15","296","2","296","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","2-(5-Bromothiophen-2-yl)-1-phenyl-1<i>H</i>-phenanthro[9,10-<i>d</i>]imidazole","","- C25 H15 Br N2 S -","- C25 H15 Br N2 S -","- C100 H60 Br4 N8 S4 -","4","1","SU4124","Kavitha, T.; Mayakrishnan, Sivakalai; Perumal, T. Paramasivam; Suvasini, Chandramouleeswaran; Lakshmi, Srinivasakannan","2-(5-Bromothiophen-2-yl)-1-phenyl-1<i>H</i>-phenanthro[9,10-<i>d</i>]imidazole","IUCrData","2017","2","1","x170089","","10.1107/S241431461700089X","","","0.71073","MoKα","","0.0528","0.033","","","0.0841","0.0975","","","","","","1.037","","","","has coordinates,has Fobs","190803","2020-10-21","18:00:00",""
"1545119","26.0266","0.0007","27.9405","0.0008","28.5247","0.0008","90","","90","","90","","20743.1","1","173","","172.99","","","","","","","","","4","P b c n","-P 2n 2ab","60","","Au34(SC6H11)22","","- C132 H242 Au34 S22 -","- C132 H242 Au34 S22 -","- C528 H968 Au136 S88 -","4","0.5","","Dong, Hongwei; Liao, Lingwen; Zhuang, Shengli; Yao, Chuanhao; Chen, Jishi; Tian, Shubo; Zhu, Min; Liu, Xu; Li, Lingling; Wu, Zhikun","A novel double-helical-kernel evolution pattern of gold nanoclusters: alternate single-stranded growth at both ends.","Nanoscale","2017","9","11","3742","3746","10.1039/c6nr09724c","","","1.54178","CuKα","","0.0537","0.0494","","","0.1314","0.1353","","","","","","1.05","","","","has coordinates","195147","2020-10-21","18:00:00",""
"1545120","20.6257","0.0011","20.7452","0.0011","30.3877","0.0016","78.427","0.003","80.789","0.003","62.667","0.002","11281.4","1.1","173","","172.99","","","","","","","","","4","P -1","-P 1","2","","Au42(SC6H11)26","","- C156 H286 Au42 S26 -","- C156 H283 Au42 S26 -","- C312 H566 Au84 S52 -","2","1","","Dong, Hongwei; Liao, Lingwen; Zhuang, Shengli; Yao, Chuanhao; Chen, Jishi; Tian, Shubo; Zhu, Min; Liu, Xu; Li, Lingling; Wu, Zhikun","A novel double-helical-kernel evolution pattern of gold nanoclusters: alternate single-stranded growth at both ends.","Nanoscale","2017","9","11","3742","3746","10.1039/c6nr09724c","","","1.54178","CuKα","","0.1989","0.1663","","","0.3875","0.4088","","","","","","1.514","","","","has coordinates","195147","2020-10-21","18:00:00",""
"1545126","11.8767","0.0003","9.3428","0.0003","16.2435","0.0005","90","","113.85","0.002","90","","1648.49","0.09","173","0.1","173","0.1","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C19 H18 O6 -","- C19 H18 O6 -","- C76 H72 O24 -","4","1","","Nyandoro, Stephen S.; Munissi, Joan J. E.; Kombo, Msim; Mgina, Clarence A.; Pan, Fangfang; Gruhonjic, Amra; Fitzpatrick, Paul; Lu, Yu; Wang, Bin; Rissanen, Kari; Erdélyi, Máté","Flavonoids from Erythrina schliebenii.","Journal of natural products","2017","80","2","377","383","10.1021/acs.jnatprod.6b00839","","","0.71073","MoKα","","0.0655","0.0479","","","0.1104","0.1193","","","","","","1.043","","","","has coordinates","193526","2020-10-21","18:00:00",""
"1545127","13.1824","0.0002","15.15072","0.00019","8.32489","0.00011","90","","98.5002","0.0013","90","","1644.41","0.04","123.01","0.1","123.01","0.1","","","","","","","","3","C 1 c 1","C -2yc","9","","","","- C19 H20 O6 -","- C19 H20 O6 -","- C76 H80 O24 -","4","1","","Nyandoro, Stephen S.; Munissi, Joan J. E.; Kombo, Msim; Mgina, Clarence A.; Pan, Fangfang; Gruhonjic, Amra; Fitzpatrick, Paul; Lu, Yu; Wang, Bin; Rissanen, Kari; Erdélyi, Máté","Flavonoids from Erythrina schliebenii.","Journal of natural products","2017","80","2","377","383","10.1021/acs.jnatprod.6b00839","","","1.54184","CuKα","","0.0275","0.0273","","","0.0712","0.0715","","","","","","1.062","","","","has coordinates","193526","2020-10-21","18:00:00",""
"1545128","8.5769","0.0003","9.1101","0.0003","11.523","0.0004","78.724","0.002","76.207","0.002","81.728","0.002","853.04","0.05","173.15","0.1","173.15","0.1","","","","","","","","3","P -1","-P 1","2","","","","- C21 H20 O5 -","- C21 H20 O5 -","- C42 H40 O10 -","2","1","","Nyandoro, Stephen S.; Munissi, Joan J. E.; Kombo, Msim; Mgina, Clarence A.; Pan, Fangfang; Gruhonjic, Amra; Fitzpatrick, Paul; Lu, Yu; Wang, Bin; Rissanen, Kari; Erdélyi, Máté","Flavonoids from Erythrina schliebenii.","Journal of natural products","2017","80","2","377","383","10.1021/acs.jnatprod.6b00839","","","0.71073","MoKα","","0.0579","0.0491","","","0.1191","0.1271","","","","","","1.052","","","","has coordinates,has disorder","193526","2020-10-21","18:00:00",""
"1545129","5.18734","0.00007","20.1639","0.0002","21.6358","0.0002","90","","90","","90","","2263.04","0.04","123.01","0.02","123.01","0.02","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C26 H30 O5 -","- C26 H30 O5 -","- C104 H120 O20 -","4","1","","Nyandoro, Stephen S.; Munissi, Joan J. E.; Kombo, Msim; Mgina, Clarence A.; Pan, Fangfang; Gruhonjic, Amra; Fitzpatrick, Paul; Lu, Yu; Wang, Bin; Rissanen, Kari; Erdélyi, Máté","Flavonoids from Erythrina schliebenii.","Journal of natural products","2017","80","2","377","383","10.1021/acs.jnatprod.6b00839","","","1.54184","CuKα","","0.0369","0.0348","","","0.0949","0.0968","","","","","","1.042","","","","has coordinates","193526","2020-10-21","18:00:00",""
"1545136","13.9189","0.0005","13.9189","0.0005","12.9169","0.0005","90","","90","","90","","2502.47","0.16","100","2","100","2","","","","","","","","6","P 41 21 2","P 4abw 2nw","92","","","","- C11 H6 Br F3 O3 S -","- C11 H6 Br F3 O3 S -","- C88 H48 Br8 F24 O24 S8 -","8","1","","Li, Minghao; Petersen, Jeffrey L.; Hoover, Jessica M.","Silver-Mediated Oxidative Decarboxylative Trifluoromethylthiolation of Coumarin-3-carboxylic Acids.","Organic letters","2017","19","3","638","641","10.1021/acs.orglett.6b03806","","","0.71073","MoKα","","0.0313","0.0261","","","0.0591","0.0609","","","","","","1.065","","","","has coordinates","191387","2020-10-21","18:00:00",""
"1545137","14.8431","0.0013","15.2118","0.0014","15.2461","0.0015","119.302","0.003","106.276","0.002","96.536","0.001","2749.1","0.5","298","2","298","2","","","","","","","","5","P -1","-P 1","2","","","","- C60.5 H43 Cl F15 N4 -","- C60.5 H43 Cl F15 N4 -","- C121 H86 Cl2 F30 N8 -","2","1","","Kong, Jiahui; Shao, Jiewei; Li, Chengjie; Qi, Dongdong; Li, Minzhi; Liang, Xu; Zhu, Weihua; Jiang, Jianzhuang; Xie, Yongshu","Neo-N-confused Phlorins and Phlorinone: Rational Synthesis and Tunable Properties.","Organic letters","2017","19","3","650","653","10.1021/acs.orglett.6b03816","","","0.71073","MoKα","","0.1437","0.0668","","","0.172","0.2104","","","","","","0.925","","","","has coordinates","191389","2020-10-21","18:00:00",""
"1545138","13.8688","0.0012","15.3205","0.0013","15.3261","0.0015","119.469","0.003","93.117","0.001","105.428","0.002","2665.6","0.4","298","2","298","2","","","","","","","","4","P -1","-P 1","2","","","","- C59 H39 F15 N4 -","- C59 H42 F15 N4 -","- C118 H84 F30 N8 -","2","1","","Kong, Jiahui; Shao, Jiewei; Li, Chengjie; Qi, Dongdong; Li, Minzhi; Liang, Xu; Zhu, Weihua; Jiang, Jianzhuang; Xie, Yongshu","Neo-N-confused Phlorins and Phlorinone: Rational Synthesis and Tunable Properties.","Organic letters","2017","19","3","650","653","10.1021/acs.orglett.6b03816","","","0.71073","MoKα","","0.1453","0.0834","","","0.2294","0.2746","","","","","","0.957","","","","has coordinates","191389","2020-10-21","18:00:00",""
"1545139","12.5205","0.0012","14.7808","0.0013","15.1296","0.0014","111.361","0.003","106.737","0.002","99.702","0.001","2376.9","0.4","298","2","298","2","","","","","","","","6","P -1","-P 1","2","","","","- C52 H24.5 Cl0.5 F15 N4 O -","- C52 H23.5 Cl0.5 F15 N4 O -","- C104 H47 Cl F30 N8 O2 -","2","1","","Kong, Jiahui; Shao, Jiewei; Li, Chengjie; Qi, Dongdong; Li, Minzhi; Liang, Xu; Zhu, Weihua; Jiang, Jianzhuang; Xie, Yongshu","Neo-N-confused Phlorins and Phlorinone: Rational Synthesis and Tunable Properties.","Organic letters","2017","19","3","650","653","10.1021/acs.orglett.6b03816","","","0.71073","MoKα","","0.1591","0.0925","","","0.2659","0.3166","","","","","","1.042","","","","has coordinates,has disorder","191389","2020-10-21","18:00:00",""
"1545140","12.8025","0.0011","25.114","0.002","15.641","0.0014","90","","105.965","0.001","90","","4835","0.7","100","2","100","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C28 H21 Br F N4 O4.5 -","- C28 H20 Br F N4 O4.5 -","- C224 H160 Br8 F8 N32 O36 -","8","2","","Wang, Xiao; Yang, Peng; Zhang, Yong; Tang, Chao-Zhe; Tian, Fang; Peng, Lin; Wang, Li-Xin","Isatin N,N'-Cyclic Azomethine Imine 1,3-Dipole and Abnormal [3 + 2]-Cycloaddition with Maleimide in the Presence of 1,4-Diazabicyclo[2.2.2]octane.","Organic letters","2017","19","3","646","649","10.1021/acs.orglett.6b03815","","","0.71073","MoKα","","0.0791","0.0539","","","0.1386","0.153","","","","","","1.026","","","","has coordinates","214153","2020-10-21","18:00:00",""
"1545141","8.2891","0.0011","10.319","0.0014","10.7253","0.0015","62.243","0.002","79.445","0.002","71.467","0.002","769.05","0.18","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","","","- C18 H14 Br N3 O2 -","- C18 H14 Br N3 O2 -","- C36 H28 Br2 N6 O4 -","2","1","","Wang, Xiao; Yang, Peng; Zhang, Yong; Tang, Chao-Zhe; Tian, Fang; Peng, Lin; Wang, Li-Xin","Isatin N,N'-Cyclic Azomethine Imine 1,3-Dipole and Abnormal [3 + 2]-Cycloaddition with Maleimide in the Presence of 1,4-Diazabicyclo[2.2.2]octane.","Organic letters","2017","19","3","646","649","10.1021/acs.orglett.6b03815","","","0.71073","MoKα","","0.0331","0.0294","","","0.0814","0.0832","","","","","","1.069","","","","has coordinates","191392","2020-10-21","18:00:00",""
"1545142","6.5882","0.0003","19.6254","0.0008","14.7997","0.0006","90","","94.733","0.005","90","","1907.02","0.14","293","2","293","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C51 H39 N3 -","- C51 H36 N3 -","- C102 H72 N6 -","2","0.5","","Zhang, Zhenhao; Pi, Chao; Tong, Heng; Cui, Xiuling; Wu, Yangjie","Iodine-Catalyzed Direct C‒H Alkenylation of Azaheterocycle N-Oxides with Alkenes","Organic Letters","2017","","","","","10.1021/acs.orglett.6b03399","","x-ray","0.71073","MoKα","","0.1105","0.0619","","","0.1454","0.1752","","","","","","1.034","","","","has coordinates","190858","2020-10-21","18:00:00",""
"1545143","5.8387","0.0001","15.6232","0.0003","25.7309","0.0006","90","","90","","90","","2347.15","0.08","130","","130","","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C31 H28 O2 -","- C31 H28 O2 -","- C124 H112 O8 -","4","1","","Guo, Rui; Zheng, Xinxin; Zhang, Dayong; Zhang, Guozhu","Rhodium(i)-catalyzed stereoselective [4+2] cycloaddition of oxetanols with alkynes through C(sp(3))-C(sp(3)) bond cleavage.","Chemical science","2017","8","4","3002","3006","10.1039/c6sc05246k","","","1.54178","CuKα","","0.0445","0.0395","","","0.0904","0.0928","","","","","","0.99","","","","has coordinates","196343","2020-10-21","18:00:00",""
"1545144","12.8937","0.0002","6.0514","0.0001","14.068","0.0002","90","","107.517","0.001","90","","1046.75","0.03","130","","130","","","","","","","","","3","P 1 21 1","P 2yb","4","","","","- C26 H26 O3 -","- C26 H26 O3 -","- C52 H52 O6 -","2","1","","Guo, Rui; Zheng, Xinxin; Zhang, Dayong; Zhang, Guozhu","Rhodium(i)-catalyzed stereoselective [4+2] cycloaddition of oxetanols with alkynes through C(sp(3))-C(sp(3)) bond cleavage.","Chemical science","2017","8","4","3002","3006","10.1039/c6sc05246k","","","1.54178","CuKα","","0.0383","0.0379","","","0.0942","0.0948","","","","","","1.057","","","","has coordinates","196343","2020-10-21","18:00:00",""
"1545147","10.831","0.002","14.3307","0.0019","16.615","0.003","90","","90","","90","","2578.9","0.7","295","","295","","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C27 H37 N3 O6 -","- C27 H37 N3 O6 -","- C108 H148 N12 O24 -","4","1","","Zhang, Dewu; Zhao, Lili; Wang, Lining; Fang, Xiaomei; Zhao, Jianyuan; Wang, Xinwei; Li, Li; Liu, Hongyu; Wei, Yuzhen; You, Xuefu; Cen, Shan; Yu, Liyan","Griseofulvin Derivative and Indole Alkaloids from Penicillium griseofulvum CPCC 400528.","Journal of natural products","2017","80","2","371","376","10.1021/acs.jnatprod.6b00829","","","1.54178","CuKα","","0.0435","0.0411","","","0.1079","0.1107","","","","","","1.033","","","","has coordinates","193528","2020-10-21","18:00:00",""
"1545148","4.7766","0.0002","41.019","0.0013","12.2047","0.0004","90","","94.6748","0.0017","90","","2383.33","0.15","293","2","293","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C44 H52 O8 -","- C44 H52 O8 -","- C88 H104 O16 -","2","0.5","","Heo, Jung-Moo; Kim, Youngmee; Han, Seulki; Joung, Joonyoung F.; Lee, Sang-hwa; Han, Sejin; Noh, Jaegeun; Kim, Jaeyong; Park, Sungnam; Lee, Haiwon; Choi, Yoon Mi; Jung, Young-Sik; Kim, Jong-Man","Chromogenic Tubular Polydiacetylenes from Topochemical Polymerization of Self-Assembled Macrocyclic Diacetylenes","Macromolecules","2017","50","3","900","","10.1021/acs.macromol.6b02493","","","0.71073","MoKα","","0.1218","0.11","","","0.2433","0.2508","","","","","","1.093","","","","has coordinates","193606","2020-10-21","18:00:00",""
"1545160","12.0468","0.0011","6.2442","0.0004","16.9384","0.0013","90","","109.936","0.01","90","","1197.8","0.18","150","2","150","2","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","","","- C17 H14 O -","- C17 H14 O -","- C68 H56 O4 -","4","1","","Garkhedkar, Amol Milind; Senadi, Gopal Chandru; Wang, Jeh-Jeng","ZnBr2-Mediated Cascade Reaction of o-Alkoxy Alkynols: Synthesis of Indeno[1,2-c]chromenes.","Organic letters","2017","19","3","488","491","10.1021/acs.orglett.6b03642","","x-ray","0.71073","MoKα","","0.1008","0.0672","","","0.1535","0.18","","","","","","1.029","","","","has coordinates","191390","2020-10-21","18:00:00",""
"1545161","5.0158","0.0003","12.9738","0.0011","21.6829","0.0017","93.089","0.007","94.326","0.005","93.543","0.006","1401.85","0.18","297","2","297","2","","","","","","","","3","P -1","-P 1","2","","","","- C19 H16 O2 -","- C19 H16 O2 -","- C76 H64 O8 -","4","2","","Garkhedkar, Amol Milind; Senadi, Gopal Chandru; Wang, Jeh-Jeng","ZnBr2-Mediated Cascade Reaction of o-Alkoxy Alkynols: Synthesis of Indeno[1,2-c]chromenes.","Organic letters","2017","19","3","488","491","10.1021/acs.orglett.6b03642","","x-ray","0.71073","MoKα","","0.1222","0.0704","","","0.1652","0.2018","","","","","","1.043","","","","has coordinates","191390","2020-10-21","18:00:00",""
"1545162","9.302","0.0002","9.7698","0.0002","16.9249","0.0004","84.505","0.001","86.765","0.001","71.597","0.001","1452.19","0.06","100","2","100","2","","","","","","","","4","P 1","P 1","1","","","","- C53 H90 N10 O11 -","- C53 H90 N10 O11 -","- C53 H90 N10 O11 -","1","1","","Tomsett, Michael; Maffucci, Irene; Le Bailly, Bryden A. F.; Byrne, Liam; Bijvoets, Stefan M.; Lizio, M. Giovanna; Raftery, James; Butts, Craig P.; Webb, Simon J.; Contini, Alessandro; Clayden, Jonathan","A tendril perversion in a helical oligomer: trapping and characterizing a mobile screw-sense reversal.","Chemical science","2017","8","4","3007","3018","10.1039/c6sc05474a","","","1.54178","CuKα","","0.0513","0.0503","","","0.1414","0.1423","","","","","","1.289","","","","has coordinates","196341","2020-10-21","18:00:00",""
"1545163","13.6336","0.0003","14.6369","0.0003","33.2755","0.0007","90","","89.215","0.002","90","","6639.6","0.2","293","2","293","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C55 H93 N11 O11 -","- C55 H93 N11 O11 -","- C220 H372 N44 O44 -","4","2","","Tomsett, Michael; Maffucci, Irene; Le Bailly, Bryden A. F.; Byrne, Liam; Bijvoets, Stefan M.; Lizio, M. Giovanna; Raftery, James; Butts, Craig P.; Webb, Simon J.; Contini, Alessandro; Clayden, Jonathan","A tendril perversion in a helical oligomer: trapping and characterizing a mobile screw-sense reversal.","Chemical science","2017","8","4","3007","3018","10.1039/c6sc05474a","","","1.5418","CuKα","","0.1879","0.1544","","","0.3885","0.4276","","","","","","1.383","","","","has coordinates","196341","2020-10-21","18:00:00",""
"1545164","18.9838","0.0007","9.0762","0.0003","9.3006","0.0003","90","","97.114","0.002","90","","1590.16","0.09","100","2","100","2","","","","","","","","3","C 1 2 1","C 2y","5","","","","- C19 H20 O5 -","- C19 H20 O5 -","- C76 H80 O20 -","4","1","","Li, Tian-Ze; Geng, Chang-An; Yin, Xiu-Juan; Yang, Tong-Hua; Chen, Xing-Long; Huang, Xiao-Yan; Ma, Yun-Bao; Zhang, Xue-Mei; Chen, Ji-Jun","Catalytic Asymmetric Total Synthesis of (+)- and (−)-Paeoveitol via a Hetero-Diels‒Alder Reaction","Organic Letters","2017","","","","","10.1021/acs.orglett.6b03801","","","1.54178","CuKα","","0.1481","0.1469","","","0.3267","0.3289","","","","","","1.582","","","","has coordinates","190992","2020-10-21","18:00:00",""
"1545165","18.8804","0.0008","7.5624","0.0003","18.9543","0.0008","90","","97.589","0.007","90","","2682.6","0.2","296","","296","","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C22 H34 N2 O2 Si -","- C22 H34 N2 O2 Si -","- C88 H136 N8 O8 Si4 -","4","2","","Liu, Zijian; Takeuchi, Toshifumi; Pluta, Roman; Arteaga Arteaga, Fernando; Kumagai, Naoya; Shibasaki, Masakatsu","Direct Catalytic Asymmetric Aldol Reaction of α-Alkylamides.","Organic letters","2017","19","3","710","713","10.1021/acs.orglett.6b03890","","","1.54187","CuKα","","0.0959","0.0649","","","0.1825","0.2095","","","","","","0.948","","","","has coordinates,has disorder","191394","2020-10-21","18:00:00",""
"1545166","9.9986","0.0015","18.897","0.003","12.05","0.0019","90","","91.502","0.006","90","","2276","0.6","100","0.2","100","0.2","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C41 H57 F7 N3 O12 P -","- C41 H57 F7 N3 O12 P -","- C82 H114 F14 N6 O24 P2 -","2","1","","Saito, Fumito; Bode, Jeffrey W.","Synthesis and stabilities of peptide-based [1]rotaxanes: molecular grafting onto lasso peptide scaffolds","Chem. Sci.","2017","8","4","2878","","10.1039/C7SC00021A","","x-ray","0.71073","MoKα","","0.0486","0.0366","","","0.0686","0.0732","","","","","","1.013","","","","has coordinates","195002","2020-10-21","18:00:00",""
"1545167","14.144","0.003","12.445","0.003","14.545","0.003","90","","91.32","0.03","90","","2559.6","1","293","2","293","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C25 H22.5 N6 O6.25 -","- C25 H22.5 N6 O6.25 -","- C100 H90 N24 O25 -","4","1","","Li, Wenfang; Zhang, Chenyang; Qi, Shuaiwei; Deng, Xiaoli; Wang, Wei; Yang, Bing; Liu, Junqiu; Dong, Zeyuan","A folding-directed catalytic microenvironment in helical dynamic covalent polymers formed by spontaneous configuration control","Polym. Chem.","2017","8","8","1294","","10.1039/C6PY02200F","","","0.71073","MoKα","","0.1561","0.0728","","","0.2281","0.2663","","","","","","0.817","","","","has coordinates","193919","2020-10-21","18:00:00",""
"1545168","6.0518","0.0006","7.3418","0.0006","8.6695","0.0006","68.482","0.002","67.375","0.003","69.41","0.003","320.67","0.05","123","","123","","","","","","","","","4","P -1","-P 1","2","","","","- C15 H15 N S2 -","- C15 H15 N S2 -","- C15 H15 N S2 -","1","0.5","","Shimizu, Akinori; Inoue, Yoshihisa; Mori, Tadashi","Protonation-Induced Sign Inversion of the Cotton Effects of Pyridinophanes. A Combined Experimental and Theoretical Study.","The journal of physical chemistry. A","2017","121","5","977","985","10.1021/acs.jpca.6b12287","","","0.71075","MoKα","","","0.0505","","","","0.0545","","","","","","0.999","","","","has coordinates","193604","2020-10-21","18:00:00",""
"1545169","5.9062","0.0003","9.1377","0.0004","13.7532","0.0006","90","","90.423","0.002","90","","742.23","0.06","100","0.2","100","0.2","","","","","","","","4","P 1 21 1","P 2yb","4","","(-)-R-1-(benzyloxy)-5,5-dichloro-6-methylhept-2-yn-4-ol","","- C15 H18 Cl2 O2 -","- C15 H18 Cl2 O2 -","- C30 H36 Cl4 O4 -","2","1","","Sempere Molina, Yeshua; Ruchti, Jonathan; Carreira, Erick M.","Enantioselective Addition of Alkynes to α,α-Dichlorinated Aldehydes.","Organic letters","2017","19","4","743","745","10.1021/acs.orglett.6b03692","","x-ray","0.71073","MoKα","","0.0423","0.0367","","","0.0668","0.0689","","","","","","0.975","","","","has coordinates","193642","2020-10-21","18:00:00",""
"1545171","32.711","0.005","5.6403","0.0007","9.9643","0.0013","90","","107.296","0.003","90","","1755.3","0.4","173","","173","","","","","","","","","4","C 1 2 1","C 2y","5","Tsuchida-02","","","- C20 H17 N2 O4 -","- C20 H18 N2 O4 -","- C80 H72 N8 O16 -","4","1","","Arai, Takayoshi; Tsuchida, Akiko; Miyazaki, Tomoya; Awata, Atsuko","Catalytic Asymmetric Synthesis of Chiral 2-Vinylindole Scaffolds by Friedel-Crafts Reaction.","Organic letters","2017","19","4","758","761","10.1021/acs.orglett.6b03584","","","0.71073","MoKα","","0.0496","0.0396","","","0.0972","0.1313","","","","","","1.241","","","","has coordinates","193647","2020-10-21","18:00:00",""
"1545172","10.5646","0.0016","6.8915","0.001","12.256","0.0017","90","","95.573","0.005","90","","888.1","0.2","100","2","100","2","","","","","","","","7","P 1 21 1","P 2yb","4","","","","- C17 H17 Ag Cl N3 O S -","- C17 H17 Ag Cl N3 O S -","- C34 H34 Ag2 Cl2 N6 O2 S2 -","2","1","","Frutos, María; Ortuño, Manuel A; Lledos, Agustí; Viso, Alma; Fernández de la Pradilla, Roberto; de la Torre, María C; Sierra, Miguel A.; Gornitzka, Heinz; Hemmert, Catherine","Desulfinylation of Ag(I) Sulfinyl Mesoionic Carbenes: Preparation of C-Unsubstituted Au(I)-1,2,3-Triazole Carbene Complexes.","Organic letters","2017","19","4","822","825","10.1021/acs.orglett.6b03808","","","0.71073","MoKα","","0.0712","0.05","","","0.1114","0.1215","","","","","","1.016","","","","has coordinates","198632","2020-10-21","18:00:00",""
"1545173","9.6951","0.0015","5.6063","0.0009","17.751","0.003","90","","104.564","0.0019","90","","933.8","0.3","100","2","100","2","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","","","- C28 H16 S2 -","- C28 H16 S2 -","- C56 H32 S4 -","2","0.5","","Chaolumen, ?; Murata, Michihisa; Wakamiya, Atsushi; Murata, Yasujiro","Dithieno-Fused Polycyclic Aromatic Hydrocarbon with a Pyracylene Moiety: Strong Antiaromatic Contribution to the Electronic Structure.","Organic letters","2017","19","4","826","829","10.1021/acs.orglett.6b03819","","","0.71073","MoKα","","0.0599","0.047","","","0.0951","0.1001","","","","","","1.101","","","","has coordinates,has disorder","193643","2020-10-21","18:00:00",""
"1545174","13.0121","0.001","5.2339","0.0004","19.82","0.0016","90","","90","","90","","1349.82","0.18","142","2","142","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C15 H12 B Cl O3 -","- C15 H12 B Cl O3 -","- C60 H48 B4 Cl4 O12 -","4","1","","Hazra, Gurupada; Maity, Sanjay; Bhowmick, Sudipto; Ghorai, Prasanta","Organocatalytic, enantioselective synthesis of benzoxaboroles via Wittig/oxa-Michael reaction Cascade of α-formyl boronic acids.","Chemical science","2017","8","4","3026","3030","10.1039/c6sc04522g","","","0.71073","MoKα","","0.0551","0.0394","","","0.1151","0.1266","","","","","","0.969","","","","has coordinates","196337","2020-10-21","18:00:00",""
"1545175","9.16074","0.00006","6.01447","0.00004","10.6243","0.0001","90","","92.073","0.001","90","","584.984","0.008","100","2","100","2","","","","","","","synthesis as described","3","P 1 21 1","P 2yb","4","","(2S,3R,3aR,7aS)-5-Oxo-2-phenylhexahydro-4H-furo[2,3-b]pyran-3-carbaldehyde","","- C14 H14 O4 -","- C14 H14 O4 -","- C28 H28 O8 -","2","1","","Orue, Ane; Uria, Uxue; Roca-López, David; Delso, Ignacio; Reyes, Efraím; Carrillo, Luisa; Merino, Pedro; Vicario, Jose L.","Racemic hemiacetals as oxygen-centered pronucleophiles triggering cascade 1,4-addition/Michael reaction through dynamic kinetic resolution under iminium catalysis. Development and mechanistic insights.","Chemical science","2017","8","4","2904","2913","10.1039/c7sc00009j","","x-ray","1.54184","CuKα","","0.0267","0.0266","","","0.0714","0.0716","","","","","","1.073","","","","has coordinates","196340","2020-10-21","18:00:00",""
"1545176","5.5604","0.0001","6.6895","0.0001","33.0826","0.0005","90","","90","","90","","1230.55","0.03","100","2","100","2","","","","","","","synthesis as described","3","P 21 21 21","P 2ac 2ab","19","","(2R,3S,3aR,7aS)-5-Oxo-2-pentylhexahydro-4H-furo[2,3-b]pyran-3-carbaldehyde","","- C13 H20 O4 -","- C13 H20 O4 -","- C52 H80 O16 -","4","1","","Orue, Ane; Uria, Uxue; Roca-López, David; Delso, Ignacio; Reyes, Efraím; Carrillo, Luisa; Merino, Pedro; Vicario, Jose L.","Racemic hemiacetals as oxygen-centered pronucleophiles triggering cascade 1,4-addition/Michael reaction through dynamic kinetic resolution under iminium catalysis. Development and mechanistic insights.","Chemical science","2017","8","4","2904","2913","10.1039/c7sc00009j","","x-ray","1.54184","CuKα","","0.0327","0.0306","","","0.0702","0.0711","","","","","","1.088","","","","has coordinates","196340","2020-10-21","18:00:00",""
"1545177","8.9615","0.00009","10.02283","0.0001","17.71277","0.00019","90","","90","","90","","1590.95","0.03","100.01","0.1","100.15","","","","","","","","synthesis as described","3","P 21 21 21","P 2ac 2ab","19","","(2S,3S,3aS,7aR)-3-(1,3-dioxolan-2-yl)-2-phenyltetrahydro-4H,6H-spiro[furo[2,3-b]pyran-5,2'-[1,3]dioxolane]","","- C18 H22 O6 -","- C18 H22 O6 -","- C72 H88 O24 -","4","1","","Orue, Ane; Uria, Uxue; Roca-López, David; Delso, Ignacio; Reyes, Efraím; Carrillo, Luisa; Merino, Pedro; Vicario, Jose L.","Racemic hemiacetals as oxygen-centered pronucleophiles triggering cascade 1,4-addition/Michael reaction through dynamic kinetic resolution under iminium catalysis. Development and mechanistic insights.","Chemical science","2017","8","4","2904","2913","10.1039/c7sc00009j","","","1.54184","CuKα","","0.0255","0.0246","","","0.0631","0.0638","","","","","","1.0626","","","","has coordinates","278046","2022-09-21","15:45:40",""
"1545178","6.8159","0.0003","9.972","0.0005","17.7839","0.0008","90","","98.748","0.002","90","","1194.68","0.1","100","2","100","","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C10 H11 N3 O6 S -","- C10 H11 N3 O6 S -","- C40 H44 N12 O24 S4 -","4","2","","Rovira, Alexander R.; Fin, Andrea; Tor, Yitzhak","Expanding a fluorescent RNA alphabet: synthesis, photophysics and utility of isothiazole-derived purine nucleoside surrogates.","Chemical science","2017","8","4","2983","2993","10.1039/c6sc05354h","","x-ray","1.54178","CuKα","","0.0312","0.0307","","","0.0865","0.0868","","","","","","1.109","","","","has coordinates","196338","2020-10-21","18:00:00",""
"1545179","15.3538","0.0006","4.3958","0.0002","17.1443","0.0006","90","","112.351","0.001","90","","1070.18","0.07","100","2","100","","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C8 H8 Br N5 O S -","- C8 H8 Br N5 O S -","- C32 H32 Br4 N20 O4 S4 -","4","1","","Rovira, Alexander R.; Fin, Andrea; Tor, Yitzhak","Expanding a fluorescent RNA alphabet: synthesis, photophysics and utility of isothiazole-derived purine nucleoside surrogates.","Chemical science","2017","8","4","2983","2993","10.1039/c6sc05354h","","x-ray","1.54178","CuKα","","0.0227","0.0218","","","0.0555","0.0562","","","","","","1.079","","","","has coordinates","196338","2020-10-21","18:00:00",""
"1545180","8.0883","0.0002","10.9716","0.0003","16.0771","0.0004","72.07","0.001","80.273","0.001","86.279","0.002","1337.78","0.06","100","","100","","","","","","","","","5","P 1","P 1","1","","","","- C10 H15.5 N4 O6.75 S -","- C10 H15.5 N4 O6.75 S -","- C40 H62 N16 O27 S4 -","4","4","","Rovira, Alexander R.; Fin, Andrea; Tor, Yitzhak","Expanding a fluorescent RNA alphabet: synthesis, photophysics and utility of isothiazole-derived purine nucleoside surrogates.","Chemical science","2017","8","4","2983","2993","10.1039/c6sc05354h","","x-ray","1.54178","CuKα","","0.0311","0.0286","","","0.0758","0.0773","","","","","","1.025","","","","has coordinates","196338","2020-10-21","18:00:00",""
"1545181","8.598","0.0001","8.598","0.0001","10.5541","0.0002","90","","90","","90","","780.22","0.02","293","2","200","2","","","","","","","","3","I -4 2 m","I -4 2","121","","","","- C2.5 H2.5 Np0.12 -","- C2.5 H2.5 Np0.125 -","- C40 H40 Np2 -","16","1","","Dutkiewicz, Michał S.; Apostolidis, Christos; Walter, Olaf; Arnold, Polly L.","Reduction chemistry of neptunium cyclopentadienide complexes: from structure to understanding","Chem. Sci.","2017","8","4","2553","","10.1039/C7SC00034K","","","0.71073","MoKα","","0.0083","0.0083","","","0.0187","0.0187","","","","","","1.116","","","","has coordinates","195014","2020-10-21","18:00:00",""
"1545182","22.6093","0.001","14.7125","0.001","9.0155","0.0005","90","","90.415","0.001","90","","2998.8","0.3","100","2","173","2","","","","","","","","5","C 1 2 1","C 2y","5","","","","- C32 H35 K1.5 Np1.5 O0.5 -","- C32 H30 K1.5 Np1.5 O0.5 -","- C128 H120 K6 Np6 O2 -","4","1","","Dutkiewicz, Michał S.; Apostolidis, Christos; Walter, Olaf; Arnold, Polly L.","Reduction chemistry of neptunium cyclopentadienide complexes: from structure to understanding","Chem. Sci.","2017","8","4","2553","","10.1039/C7SC00034K","","","0.71073","MoKα","","0.0399","0.033","","","0.0753","0.0783","","","","","","1.062","","","","has coordinates,has disorder","195014","2020-10-21","18:00:00",""
"1545183","14.1208","0.0006","8.7037","0.0006","9.5917","0.0005","90","","90","","90","","1178.85","0.11","100","2","173","2","","","","","","","","3","C m c 21","C 2c -2","36","","","","- C15 H15 Np -","- C15 H15 Np -","- C60 H60 Np4 -","4","0.5","","Dutkiewicz, Michał S.; Apostolidis, Christos; Walter, Olaf; Arnold, Polly L.","Reduction chemistry of neptunium cyclopentadienide complexes: from structure to understanding","Chem. Sci.","2017","8","4","2553","","10.1039/C7SC00034K","","","0.71073","MoKα","","0.0145","0.0141","","","0.0355","0.0359","","","","","","1.033","","","","has coordinates","195014","2020-10-21","18:00:00",""
"1545184","13.6966","0.0015","8.3864","0.0009","14.6562","0.0016","90","","90","","90","","1683.5","0.3","100","2","100","2","","","","","","","","4","P b c n","-P 2n 2ab","60","","","","- C19 H21 N2 Np -","- C19 H21 N2 Np -","- C76 H84 N8 Np4 -","4","0.5","","Dutkiewicz, Michał S.; Apostolidis, Christos; Walter, Olaf; Arnold, Polly L.","Reduction chemistry of neptunium cyclopentadienide complexes: from structure to understanding","Chem. Sci.","2017","8","4","2553","","10.1039/C7SC00034K","","","0.71073","MoKα","","0.0562","0.0237","","","0.0374","0.0431","","","","","","1.053","","","","has coordinates","195014","2020-10-21","18:00:00",""
"1545185","8.298","0.0006","22.1664","0.0017","28.917","0.002","90","","90","","90","","5318.9","0.7","100","2","100","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C24 H39 Np Si3 -","- C24 H39 Np Si3 -","- C192 H312 Np8 Si24 -","8","1","","Dutkiewicz, Michał S.; Apostolidis, Christos; Walter, Olaf; Arnold, Polly L.","Reduction chemistry of neptunium cyclopentadienide complexes: from structure to understanding","Chem. Sci.","2017","8","4","2553","","10.1039/C7SC00034K","","","0.71073","MoKα","","0.0866","0.0393","","","0.049","0.0567","","","","","","1.027","","","","has coordinates","195014","2020-10-21","18:00:00",""
"1545186","24.664","0.0003","24.664","0.0003","24.664","0.0003","90","","90","","90","","15003.4","0.3","323","","","","","","","","","","","5","F d -3 m :2","-F 4vw 2vw 3","227","","","Faujasite-NaY","- Al56 H600 Na56 O684 Si136 -","- Al55.9872 Na55.5917 O505.505 Sa6.64096 Si136.013 -","- Al55.9872 Na55.5917 O505.505 Sa6.64096 Si136.013 -","1","0.00520833","","Perez, Carlos A. C.; de Resende, Neuman S.; Salim, Vera M. M.; Schmal, Martin","Water Interaction in Faujasite Probed by in Situ X-ray Powder Diffraction","The Journal of Physical Chemistry C","2017","121","5","2755","","10.1021/acs.jpcc.6b11111","","","","","","","","","","","","","","","","","","","","","has coordinates","193605","2020-10-21","18:00:00",""
"1545187","10.953","0.0002","26.2844","0.0006","9.7874","0.0002","90","","105.706","0.0014","90","","2712.52","0.1","296","2","296","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C32 H27 N O4 S2 -","- C32 H27 N O4 S2 -","- C128 H108 N4 O16 S8 -","4","1","","Sinclair, Geoffrey S.; Yang, Tianyu; Wang, Sunmeng; Chen, Wei H.; Schipper, Derek J.","Copper-Mediated Nucleophilic Addition/Cascade Cyclization of Aryl Diynes.","Organic letters","2017","19","4","802","805","10.1021/acs.orglett.6b03787","","","0.71073","MoKα","","0.1839","0.0637","","","0.0923","0.1279","","","","","","1.042","","","","has coordinates","198632","2020-10-21","18:00:00",""
"1545188","32.921","0.007","11.658","0.002","20.29","0.004","90","","118.58","0.03","90","","6838","3","293","","293","","","","","","","","","7","C 1 2/c 1","-C 2yc","15","","","","- C35 H30 Cl3 N2 O3 P S -","- C35 H30 Cl3 N2 O3 P S -","- C280 H240 Cl24 N16 O24 P8 S8 -","8","1","","Wang, Lisheng; Wu, Yi; Liu, Yang; Yang, Hua; Liu, Xu; Wang, Jianyi; Li, Xiaoxun; Jiang, Jun","Copper-Catalyzed P-H Insertions of α-Imino Carbenes for the Preparation of 3-Phosphinoylindoles.","Organic letters","2017","19","4","782","785","10.1021/acs.orglett.6b03752","","","0.71073","MoKα","","0.1042","0.061","","","0.1582","0.1836","","","","","","1.036","","","","has coordinates,has disorder","193648","2020-10-21","18:00:00",""
"1545189","11.1099","0.0008","11.0682","0.0008","17.9212","0.0013","90","","99.233","0.001","90","","2175.2","0.3","130","","130","","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C25 H25 N O5 -","- C25 H25 N O5 -","- C100 H100 N4 O20 -","4","2","","Zhou, Yong; Xia, Zi-Lei; Gu, Qing; You, Shu-Li","Chiral Phosphoric Acid Catalyzed Intramolecular Dearomative Michael Addition of Indoles to Enones.","Organic letters","2017","19","4","762","765","10.1021/acs.orglett.6b03610","","","0.71073","MoKα","","0.0532","0.0416","","","0.0955","0.1037","","","","","","1.021","","","","has coordinates","193649","2020-10-21","18:00:00",""
"1545190","10.65","0.001","10.65","0.001","10.65","0.001","90","","90","","90","","1207.9","0.2","","","1173","","","","","","","","","3","F d -3 m","-F 4vw 2vw 3","227","Eu2Zr2O7 at 1173 K","","","- Eu2 O7 Zr2 -","- Eu1.968 O6.996 Zr2.036 -","- Eu15.744 O55.968 Zr16.288 -","8","","","Hagiwara, T.; Nomura, K.; Kageyama, H.","Crystal structure analysis of Ln2Zr2O7 (Ln = Eu and La) with a pyrochlore composition by high-temperature powder X-ray diffraction Note: Eu2Zr2O7 at 1173 K","Journal of the Ceramic Society of Japan","2017","125","","65","70","","","","","","","","","","","","","","","","","","","","","","has coordinates","191200","2020-10-21","18:00:00",""
"1545191","10.546","0.001","10.546","0.001","10.546","0.001","90","","90","","90","","1172.91","0.19","","","298","","","","","","","","","3","F d -3 m","-F 4vw 2vw 3","227","Eu2Zr2O7","","","- Eu2 O7 Zr2 -","- Eu1.968 O7 Zr2.036 -","- Eu15.744 O56 Zr16.288 -","8","","","Hagiwara, T.; Nomura, K.; Kageyama, H.","Crystal structure analysis of Ln2Zr2O7 (Ln = Eu and La) with a pyrochlore composition by high-temperature powder X-ray diffraction Note: Eu2Zr2O7 at 298 K","Journal of the Ceramic Society of Japan","2017","125","","65","70","","","","","","","","","","","","","","","","","","","","","","has coordinates","191201","2020-10-21","18:00:00",""
"1545192","10.816","0.001","10.816","0.001","10.816","0.001","90","","90","","90","","1265.3","0.2","","","298","","","","","","","","","3","F d -3 m","-F 4vw 2vw 3","227","La2Zr2O7","","","- La2 O7 Zr2 -","- La2.0604 O6.998 Zr1.94 -","- La16.4832 O55.984 Zr15.52 -","8","","","Hagiwara, T.; Nomura, K.; Kageyama, H.","Crystal structure analysis of Ln2Zr2O7 (Ln = Eu and La) with a pyrochlore composition by high-temperature powder X-ray diffraction Note: La2Zr2O7 at 298 K","Journal of the Ceramic Society of Japan","2017","125","","65","70","","","","","","","","","","","","","","","","","","","","","","has coordinates","191202","2020-10-21","18:00:00",""
"1545193","10.904","0.001","10.904","0.001","10.904","0.001","90","","90","","90","","1296.5","0.2","","","1173","","","","","","","","","3","F d -3 m","-F 4vw 2vw 3","227","La2Zr2O7 at 1173 K","","","- La2 O7 Zr2 -","- La2.0604 O7 Zr1.94 -","- La16.4832 O56 Zr15.52 -","8","","","Hagiwara, T.; Nomura, K.; Kageyama, H.","Crystal structure analysis of Ln2Zr2O7 (Ln = Eu and La) with a pyrochlore composition by high-temperature powder X-ray diffraction Note: La2Zr2O7 at 1173 K","Journal of the Ceramic Society of Japan","2017","125","","65","70","","","","","","","","","","","","","","","","","","","","","","has coordinates","191203","2020-10-21","18:00:00",""
"1545197","8.7141","0.0002","9.0869","0.0002","20.7089","0.0004","90","","90","","90","","1639.82","0.06","173","","173","","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C20 H20 O5 -","- C20 H20 O5 -","- C80 H80 O20 -","4","1","","Yuan, Qing-Qing; Tang, Shuai; Song, Wei-Bin; Wang, Wen-Qiong; Huang, Min; Xuan, Li-Jiang","Crassins A-H, Diterpenoids from the Roots of Croton crassifolius.","Journal of natural products","2017","80","2","254","260","10.1021/acs.jnatprod.6b00425","","","1.54178","CuKα","","0.0396","0.0369","","","0.0929","0.095","","","","","","1.048","","","","has coordinates","193527","2020-10-21","18:00:00",""
"1545198","9.9833","0.0005","12.0569","0.0008","16.3459","0.0013","90","","90","","90","","1967.5","0.2","140","2","140","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C21 H30 O5 -","- C21 H30 O5 -","- C84 H120 O20 -","4","1","","Yuan, Qing-Qing; Tang, Shuai; Song, Wei-Bin; Wang, Wen-Qiong; Huang, Min; Xuan, Li-Jiang","Crassins A-H, Diterpenoids from the Roots of Croton crassifolius.","Journal of natural products","2017","80","2","254","260","10.1021/acs.jnatprod.6b00425","","","1.54178","CuKα","","0.0339","0.0336","","","0.093","0.0933","","","","","","1.357","","","","has coordinates","193527","2020-10-21","18:00:00",""
"1545199","28.4985","0.0009","11.4777","0.0004","9.0995","0.0003","90","","103.188","0.001","90","","2897.92","0.17","215","2","215","2","","","","","","","","5","C 1 2 1","C 2y","5","","","","- C16 H16 Cl N O -","- C16 H16 Cl N O -","- C128 H128 Cl8 N8 O8 -","8","2","","Canestrari, Daniele; Lancianesi, Stefano; Badiola, Eider; Strinna, Chiara; Ibrahim, Hasim; Adamo, Mauro F. A.","Desulfurative Chlorination of Alkyl Phenyl Sulfides.","Organic letters","2017","19","4","918","921","10.1021/acs.orglett.7b00077","","","1.54178","CuKα","","0.0438","0.0423","","","0.1148","0.1166","","","","","","1.061","","","","has coordinates,has disorder","193644","2020-10-21","18:00:00",""
"1545200","16.6863","0.0007","4.1596","0.0002","12.8685","0.0006","90","","90","","90","","893.18","0.07","180","2","180","2","","","","","","","","4","P n a 21","P 2c -2n","33","","","","- C10 H7 Cl O3 -","- C10 H7 Cl O3 -","- C40 H28 Cl4 O12 -","4","1","","Verastegui-Omaña, Brisa; Rebollar-Ramos, Daniela; Pérez-Vásquez, Araceli; Martínez, Ana Laura; Madariaga-Mazón, Abraham; Flores-Bocanegra, Laura; Mata, Rachel","α-Glucosidase Inhibitors from Malbranchea flavorosea.","Journal of natural products","2017","80","1","190","195","10.1021/acs.jnatprod.6b00977","","","1.54178","CuKα","","0.0487","0.0437","","","0.1113","0.1338","","","","","","1.188","","","","has coordinates","191276","2020-10-21","18:00:00",""
"1545201","7.403","0.003","8.932","0.005","20.101","0.008","90","","90","0.008","90","","1329.2","1.1","295","2","295","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C11 H22 N2 O4 -","- C11 H22 N2 O4 -","- C44 H88 N8 O16 -","4","1","","Wei, Wendi; Lin, Sheng; Chen, Minghua; Liu, Tianxi; Wang, Ali; Li, Jinjie; Guo, Qinglan; Shang, Xiaoya","Monascustin, an Unusual γ-Lactam from Red Yeast Rice.","Journal of natural products","2017","80","1","201","204","10.1021/acs.jnatprod.6b00493","","","1.54187","CuKα","","0.0401","0.037","","","0.0982","0.1021","","","","","","1.114","","","","has coordinates","191277","2020-10-21","18:00:00",""
"1545202","7.46453","0.00007","14.64416","0.00012","8.31421","0.00009","90","","109.825","0.0011","90","","854.979","0.015","120.01","0.1","120.01","0.1","","","","","","","","3","P 1 21 1","P 2yb","4","","","","- C18 H20 O8 -","- C18 H20 O8 -","- C36 H40 O16 -","2","1","","Nyandoro, Stephen S.; Munissi, Joan J. E.; Gruhonjic, Amra; Duffy, Sandra; Pan, Fangfang; Puttreddy, Rakesh; Holleran, John P.; Fitzpatrick, Paul A.; Pelletier, Jerry; Avery, Vicky M.; Rissanen, Kari; Erdélyi, Máté","Polyoxygenated Cyclohexenes and Other Constituents of Cleistochlamys kirkii Leaves.","Journal of natural products","2017","80","1","114","125","10.1021/acs.jnatprod.6b00759","","x-ray","1.54184","CuKα","","0.0273","0.0272","","","0.0701","0.0701","","","","","","1.058","","","","has coordinates","191278","2020-10-21","18:00:00",""
"1545203","15.6531","0.0009","11.2507","0.0009","17.5258","0.0012","90","","108.232","0.007","90","","2931.5","0.4","289.97","0.1","289.97","0.1","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C30 H36 N Na O8 S -","- C30 H36 N Na O8 S -","- C120 H144 N4 Na4 O32 S4 -","4","1","","Chen, Changjuan; Cui, Yaqin; Mao, Xiaoyang; Pan, Xiaobo; Wu, Jincai","Suppressing Cyclic Polymerization for Isoselective Synthesis of High-Molecular-Weight Linear Polylactide Catalyzed by Sodium/Potassium Sulfonamidate Complexes","Macromolecules","2017","50","1","83","","10.1021/acs.macromol.6b02271","","x-ray","0.71","MoKα","","0.1682","0.1572","","","0.3291","0.3337","","","","","","1.149","","","","has coordinates,has disorder","191282","2020-10-21","18:00:00",""
"1545204","10.0437","0.0004","16.2163","0.0008","15.9031","0.0007","90","","107.785","0.005","90","","2466.4","0.2","293.6","0.1","293.6","0.1","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C28 H23 Br N2 O2 S -","- C28 H23 Br N2 O2 S -","- C112 H92 Br4 N8 O8 S4 -","4","1","","Chen, Wei; Bai, Ya-Li; Luo, Yong-Chun; Xu, Peng-Fei","Rh(II) Catalyzed High Order Cycloadditions of 8-Azaheptafulvenes with N-Sulfonyl 1,2,3-Triazloes or α-Oxo Diazocompounds.","Organic letters","2017","19","2","364","367","10.1021/acs.orglett.6b03542","","x-ray","0.71073","MoKα","","0.097","0.0472","","","0.0757","0.0938","","","","","","1.004","","","","has coordinates","191296","2020-10-21","18:00:00",""
"1545205","9.5799","0.0013","10.7564","0.0019","13.2894","0.0017","81.768","0.011","69.424","0.007","87.01","0.011","1268.8","0.3","113","2","113","2","","","","","","","","6","P -1","-P 1","2","","","","- C26 H28 Br N O3 S2 -","- C26 H28 Br N O3 S2 -","- C52 H56 Br2 N2 O6 S4 -","2","1","","Jia, Penghao; Zhang, Qinglong; Jin, Hongxing; Huang, You","[3 + 2]-Annulation of Prop-2-ynylsulfonium Salts: Access to Hydroindol-5-ones Containing a Methylthio Group.","Organic letters","2017","19","2","412","415","10.1021/acs.orglett.6b03667","","","0.71073","MoKα","","0.0349","0.0281","","","0.0742","0.0755","","","","","","1.081","","","","has coordinates","191297","2020-10-21","18:00:00",""
"1545206","16.9672","0.0019","16.6921","0.0019","21.14","0.003","90","","90","","90","","5987.2","1.3","173.15","","173","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C28 H33 N7 O9 S -","- C28 H33 N7 O9 S -","- C224 H264 N56 O72 S8 -","8","1","","Xu, Rui-Bin; Wang, Qi-Qiang; Ao, Yu-Fei; Li, Zhi-Yan; Huang, Zhi-Tang; Wang, De-Xian","Anionic Head Containing Oxacalix[2]arene[2]triazines: Synthesis and Anion-π-Directed Self-Assembly in Solution and Solid State.","Organic letters","2017","19","3","738","741","10.1021/acs.orglett.7b00070","","","0.71073","MoKα","","0.0643","0.064","","","0.1531","0.1533","","","","","","1.285","","","","has coordinates","191298","2020-10-21","18:00:00",""
"1545207","13.313","0.0007","8.0185","0.0004","19.7281","0.0017","90","","98.183","0.006","90","","2084.5","0.2","293","2","293","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C26 H21 N O2 -","- C26 H21 N O2 -","- C104 H84 N4 O8 -","4","1","","Li, Chen-Guang; Xu, Guo-Qiang; Xu, Peng-Fei","Synthesis of Fused Pyran Derivatives via Visible-Light-Induced Cascade Cyclization of 1,7-Enynes with Acyl Chlorides.","Organic letters","2017","19","3","512","515","10.1021/acs.orglett.6b03684","","","0.71073","MoKα","","0.125","0.066","","","0.1374","0.1786","","","","","","1.042","","","","has coordinates","191299","2020-10-21","18:00:00",""
"1545208","7.207","0.0003","12.3158","0.0006","13.4327","0.0006","90","","93.4145","0.0012","90","","1190.17","0.09","100","2","100","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C14 H7 F3 O2 S -","- C14 H7 F3 O2 S -","- C56 H28 F12 O8 S4 -","4","1","","Li, Minghao; Petersen, Jeffrey L.; Hoover, Jessica M.","Silver-Mediated Oxidative Decarboxylative Trifluoromethylthiolation of Coumarin-3-carboxylic Acids.","Organic letters","2017","19","3","638","641","10.1021/acs.orglett.6b03806","","","0.71073","MoKα","","0.0383","0.0349","","","0.0927","0.096","","","","","","1.053","","","","has coordinates","191300","2020-10-21","18:00:00",""
"1545209","7.8022","0.001","9.7161","0.0012","10.898","0.0013","72.849","0.011","74.617","0.011","74.654","0.011","745.38","0.17","130","0.1","130","0.1","","","","","","","","4","P -1","-P 1","2","","","","- C13 H25 N5 O -","- C13 H25 N5 O -","- C26 H50 N10 O2 -","2","1","","Patil, Pravin; Madhavachary, Rudrakshula; Kurpiewska, Katarzyna; Kalinowska-Tłuścik, Justyna; Dömling, Alexander","De Novo Assembly of Highly Substituted Morpholines and Piperazines.","Organic letters","2017","19","3","642","645","10.1021/acs.orglett.6b03807","","x-ray","0.71073","MoKα","","0.0816","0.0507","","","0.114","0.1357","","","","","","1.041","","","","has coordinates","204128","2020-10-21","18:00:00",""
"1545210","14.5899","0.0006","10.9383","0.0003","21.1354","0.0011","90","","108.045","0.005","90","","3207.1","0.2","120","0.1","120","0.1","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C14 H19 N5 O3 S -","- C14 H19 N5 O3 S -","- C112 H152 N40 O24 S8 -","8","2","","Patil, Pravin; Madhavachary, Rudrakshula; Kurpiewska, Katarzyna; Kalinowska-Tłuścik, Justyna; Dömling, Alexander","De Novo Assembly of Highly Substituted Morpholines and Piperazines.","Organic letters","2017","19","3","642","645","10.1021/acs.orglett.6b03807","","","0.7107","MoKα","","0.0875","0.0602","","","0.1311","0.1454","","","","","","1.077","","","","has coordinates,has disorder","204128","2020-10-21","18:00:00",""
"1545211","11.5604","0.0003","7.8775","0.0002","15.7761","0.0005","90","","92.698","0.003","90","","1435.09","0.07","130","0.1","130","0.1","","","","","","","","4","P 1 21/a 1","-P 2yab","14","","","","- C14 H19 N5 O -","- C14 H19 N5 O -","- C56 H76 N20 O4 -","4","1","","Patil, Pravin; Madhavachary, Rudrakshula; Kurpiewska, Katarzyna; Kalinowska-Tłuścik, Justyna; Dömling, Alexander","De Novo Assembly of Highly Substituted Morpholines and Piperazines.","Organic letters","2017","19","3","642","645","10.1021/acs.orglett.6b03807","","","0.71073","MoKα","","0.0485","0.0446","","","0.1238","0.1268","","","","","","1.096","","","","has coordinates","191303","2020-10-21","18:00:00",""
"1545212","6.272","0.0005","7.7404","0.0006","40.175","0.003","90","","90","","90","","1950.4","0.3","180","0.1","180","0.1","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C21 H27 Br O4 -","- C21 H27 Br O4 -","- C84 H108 Br4 O16 -","4","1","","Lu, Yandong; Yuan, Haosen; Zhou, Shijie; Luo, Tuoping","Total Syntheses of (-)-Hibiscone C and Lysergine: A Cyclization/Fragmentation Strategy.","Organic letters","2017","19","3","620","623","10.1021/acs.orglett.6b03778","","","0.71073","MoKα","","0.0579","0.0434","","","0.0727","0.0783","","","","","","1.039","","","","has coordinates","191304","2020-10-21","18:00:00",""
"1545213","12.0745","0.0003","23.3538","0.0007","5.9816","0.0002","90","","90","","90","","1686.72","0.09","296","","296","","","","","","","","","4","P 21 21 2","P 2 2ab","18","","","","- C40 H49 N O6 -","- C40 H49 N O6 -","- C80 H98 N2 O12 -","2","0.5","","Huang, Xing-Hao; Tao, Ling-Xue; Ke, Chang-Qiang; Tang, Chunping; Zhang, Hai-Yan; Ye, Yang; Lin, Li-Gen; Yao, Sheng","Taxodikaloids A and B, Two Dimeric Abietane-Type Diterpenoids from Taxodium ascendens Possessing an Oxazoline Ring Linkage.","Organic letters","2017","19","3","556","559","10.1021/acs.orglett.6b03597","","","1.54184","CuKα","","0.0795","0.0733","","","0.2051","0.2116","","","","","","1.079","","","","has coordinates,has disorder","191305","2020-10-21","18:00:00",""
"1545214","9.831","0.002","11.92","0.002","16.719","0.003","90","","96.95","0.03","90","","1944.8","0.6","293","2","293","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C21 H29 N3 -","- C21 H29 N3 -","- C84 H116 N12 -","4","1","","Hu, Weigao; Li, Jiawei; Xu, Yanli; Li, Jianxiao; Wu, Wanqing; Liu, Haiyang; Jiang, Huanfeng","Palladium-Catalyzed Redox-Neutral N-O/C(sp(3))-H Functionalization of Aryl Oximes with Isocyanides.","Organic letters","2017","19","3","678","681","10.1021/acs.orglett.6b03852","","","0.71073","MoKα","","0.1173","0.064","","","0.1761","0.2392","","","","","","1.105","","","","has coordinates","191306","2020-10-21","18:00:00",""
"1545215","15.8881","0.0009","5.8634","0.0003","21.5649","0.0012","90","","92.342","0.006","90","","2007.27","0.19","120","2","120","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C21.5 H21 N O7.5 -","- C21.5 H21 N O7.5 -","- C86 H84 N4 O30 -","4","1","","Chalupa, David; Vojáčková, Petra; Partl, Jiří; Pavlović, Dražen; Nečas, Marek; Švenda, Jakub","Enantioselective Synthesis of Cephalimysins B and C.","Organic letters","2017","19","4","750","753","10.1021/acs.orglett.6b03373","","","0.71073","MoKα","","0.1115","0.0592","","","0.1302","0.1594","","","","","","1.034","","","","has coordinates,has disorder","193653","2020-10-21","18:00:00",""
"1545216","9.2043","0.0012","19.51","0.003","12.5785","0.0017","90","","101.112","0.013","90","","2216.4","0.5","296","2","296","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C25 H20 Cl N3 O4 -","- C25 H20 Cl N3 O4 -","- C100 H80 Cl4 N12 O16 -","4","2","","Maity, Rajendra; Gharui, Chandan; Sil, Arun K.; Pan, Subhas Chandra","Organocatalytic Asymmetric Michael/Hemiketalization/Retro-aldol Reaction of α-Nitroketones with Unsaturated Pyrazolones: Synthesis of 3-Acyloxy Pyrazoles.","Organic letters","2017","19","3","662","665","10.1021/acs.orglett.6b03823","","","0.71073","MoKα","","0.087","0.0643","","","0.1727","0.1987","","","","","","1.08","","","","has coordinates","191308","2020-10-21","18:00:00",""
"1545217","9.249","0.0002","10.7437","0.0003","19.2145","0.0004","90","","95.804","0.002","90","","1899.53","0.08","296","2","296","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C19 H13 F3 O4 S2 -","- C19 H13 F3 O4 S2 -","- C76 H52 F12 O16 S8 -","4","1","","Li, Xiaojin; Sun, Yan; Huang, Xin; Zhang, Lei; Kong, Lichun; Peng, Bo","Synthesis of o-Aryloxy Triarylsulfonium Salts via Aryne Insertion into Diaryl Sulfoxides.","Organic letters","2017","19","4","838","841","10.1021/acs.orglett.6b03840","","","0.71073","MoKα","","0.1214","0.0886","","","0.2146","0.2345","","","","","","1.387","","","","has coordinates","193650","2020-10-21","18:00:00",""
"1545218","6.887","0.002","9.504","0.003","11.467","0.004","94.564","0.006","93.056","0.005","105.075","0.006","720.3","0.4","298","","298","","","","","","","","","4","P -1","-P 1","2","","","","- C16 H21 N O5 -","- C16 H21 N O5 -","- C32 H42 N2 O10 -","2","1","","Yang, Wei; Dong, Jinhuan; Wang, Jingyi; Xu, Xianxiu","Rh(III)-Catalyzed Diastereoselective Annulation of Amides with Quinone Monoacetals: Access to Bridged Nine-Membered Heterocycles via C-H Activation.","Organic letters","2017","19","3","616","619","10.1021/acs.orglett.6b03777","","","0.71073","MoKα","","0.0764","0.0552","","","0.1389","0.1608","","","","","","1.019","","","","has coordinates","215051","2020-10-21","18:00:00",""
"1545219","5.8802","0.0006","14.1927","0.0013","16.3278","0.0015","90","","90","","90","","1362.7","0.2","298","2","298","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C17 H13 N O3 -","- C17 H13 N O3 -","- C68 H52 N4 O12 -","4","1","","Sun, Jun; Qiu, Jiang-Kai; Wu, Ya-Nan; Hao, Wen-Juan; Guo, Cheng; Li, Guigen; Tu, Shu-Jiang; Jiang, Bo","Silver-Mediated Radical C(sp(3))-H Biphosphinylation and Nitration of β-Alkynyl Ketones for Accessing Functional Isochromenes.","Organic letters","2017","19","4","754","757","10.1021/acs.orglett.6b03546","","","0.71073","MoKα","","0.107","0.0543","","","0.0936","0.1023","","","","","","1.037","","","","has coordinates","193646","2020-10-21","18:00:00",""
"1545220","6.3717","0.0002","18.645","0.0004","22.0515","0.0005","90","","90","","90","","2619.73","0.12","100","2","100","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C29 H42 O6 -","- C29 H42 O6 -","- C116 H168 O24 -","4","1","","Hu, Zhengxi; Wu, Ye; Xie, Shuangshuang; Sun, Weiguang; Guo, Yi; Li, Xiao-Nian; Liu, Junjun; Li, Hua; Wang, Jianping; Luo, Zengwei; Xue, Yongbo; Zhang, Yonghui","Phomopsterones A and B, Two Functionalized Ergostane-Type Steroids from the Endophytic Fungus Phomopsis sp. TJ507A.","Organic letters","2017","19","1","258","261","10.1021/acs.orglett.6b03557","","","1.54178","CuKα","","0.041","0.0397","","","0.1193","0.1208","","","","","","1.051","","","","has coordinates","191312","2020-10-21","18:00:00",""
"1545221","7.6621","0.001","9.8166","0.0011","19.265","0.002","90","","101.448","0.007","90","","1420.2","0.3","173","2","173","2","","","","","","","","3","P 1 21 1","P 2yb","4","","1","","- C40 H26 O6 -","- C40 H26 O6 -","- C80 H52 O12 -","2","1","","Yamano, Ryota; Hara, Jun; Murayama, Koichi; Sugiyama, Haruki; Teraoka, Kota; Uekusa, Hidehiro; Kawauchi, Susumu; Shibata, Yu; Tanaka, Ken","Rh-Mediated Enantioselective Synthesis, Crystal Structures, and Photophysical/Chiroptical Properties of Phenanthrenol-Based [9]Helicene-like Molecules.","Organic letters","2017","19","1","42","45","10.1021/acs.orglett.6b03279","","","1.54186","CuKα","","0.1183","0.093","","","0.25","0.2975","","","","","","1.08","","","","has coordinates","191313","2020-10-21","18:00:00",""
"1545222","10.818","0.003","14.183","0.004","15.569","0.004","90","","90","","90","","2388.8","1.1","293","2","293","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C28 H26 N2 O2 S -","- C28 H26 N2 O2 S -","- C112 H104 N8 O8 S4 -","4","1","","Wang, Gaonan; You, Xu; Gan, Yi; Liu, Yuanhong","Synthesis of δ- and α-Carbolines via Nickel-Catalyzed [2 + 2 + 2] Cycloaddition of Functionalized Alkyne-Nitriles with Alkynes.","Organic letters","2017","19","1","110","113","10.1021/acs.orglett.6b03385","","","0.71073","MoKα","","0.0539","0.0433","","","0.1074","0.1145","","","","","","1.024","","","","has coordinates","191314","2020-10-21","18:00:00",""
"1545223","9.8491","0.0012","12.1471","0.0014","23.294","0.003","90","","97.907","0.003","90","","2760.4","0.6","293","2","293","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C32 H30 N2 O2 S -","- C32 H30 N2 O2 S -","- C128 H120 N8 O8 S4 -","4","1","","Wang, Gaonan; You, Xu; Gan, Yi; Liu, Yuanhong","Synthesis of δ- and α-Carbolines via Nickel-Catalyzed [2 + 2 + 2] Cycloaddition of Functionalized Alkyne-Nitriles with Alkynes.","Organic letters","2017","19","1","110","113","10.1021/acs.orglett.6b03385","","","0.71073","MoKα","","0.0959","0.0692","","","0.176","0.1957","","","","","","1.034","","","","has coordinates,has disorder","191315","2020-10-21","18:00:00",""
"1545224","9.4681","0.0007","10.7397","0.0008","17.004","0.0013","84.758","0.001","88.568","0.001","77.89","0.001","1683.5","0.2","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","","","- C20 H22 Cl N O2 -","- C20 H22 Cl N O2 -","- C80 H88 Cl4 N4 O8 -","4","2","","Katamura, Tomohiro; Shimizu, Tomoaki; Mutoh, Yuichiro; Saito, Shinichi","Synthesis of Tricyclic Benzazocines by Aza-Prins Reaction.","Organic letters","2017","19","1","266","269","10.1021/acs.orglett.6b03577","","","0.71073","MoKα","","0.0416","0.0344","","","0.085","0.0895","","","","","","1.02","","","","has coordinates","191316","2020-10-21","18:00:00",""
"1545225","10.584","0.004","14.302","0.005","11.308","0.004","90","","110.207","0.004","90","","1606.4","1","100","2","100","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C20 H23 N O2 -","- C20 H23 N O2 -","- C80 H92 N4 O8 -","4","1","","Katamura, Tomohiro; Shimizu, Tomoaki; Mutoh, Yuichiro; Saito, Shinichi","Synthesis of Tricyclic Benzazocines by Aza-Prins Reaction.","Organic letters","2017","19","1","266","269","10.1021/acs.orglett.6b03577","","","0.71073","MoKα","","0.1068","0.066","","","0.1693","0.202","","","","","","1.037","","","","has coordinates","191317","2020-10-21","18:00:00",""
"1545226","48.988","0.004","4.6745","0.0005","18.3827","0.0017","90","","99.987","0.009","90","","4145.7","0.7","100","0.4","100","0.4","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C20 H32 N4 O4 -","- C20 H32 N4 O4 -","- C160 H256 N32 O32 -","8","1","","Babu, Kaki Raveendra; Zhu, Nengbo; Bao, Hongli","Iron-Catalyzed C-H Alkylation of Heterocyclic C-H Bonds.","Organic letters","2017","19","1","46","49","10.1021/acs.orglett.6b03287","","","1.54184","CuKα","","0.1184","0.0797","","","0.1898","0.2235","","","","","","1.024","","","","has coordinates","191318","2020-10-21","18:00:00",""
"1545227","23.5226","0.0008","21.9096","0.0009","30.3857","0.0011","90","","102.06","0.0011","90","","15314.3","1","100","2","100","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C83.88 H93 Cl4 N4 O6 -","- C83.875 H93 Cl4 N4 O6 -","- C671 H744 Cl32 N32 O48 -","8","2","","Díaz-Moscoso, Alejandro; Hernández-Alonso, Daniel; Escobar, Luis; Arroyave, Frank A.; Ballester, Pablo","Stereoselective Synthesis of Lower and Upper Rim Functionalized Tetra-α Isomers of Calix[4]pyrroles.","Organic letters","2017","19","1","226","229","10.1021/acs.orglett.6b03505","","","0.71073","MoKα","","0.1058","0.0699","","","0.1983","0.2277","","","","","","1.044","","","","has coordinates,has disorder","191319","2020-10-21","18:00:00",""
"1545228","10.6275","0.0001","14.165","0.0002","15.0417","0.0002","90","","101.253","0.0009","90","","2220.82","0.05","200","","200","","","","","","","","local","5","P 1 21/c 1","-P 2ybc","14","","","","- C24 H22 N2 O7 S -","- C24 H22 N2 O7 S -","- C96 H88 N8 O28 S4 -","4","1","","Gao, Nadia Yuqian; Banwell, Martin G.; Willis, Anthony C.","Biomimetic Total Synthesis of the Pentacyclic Amaryllidaceae Alkaloid Derivative Gracilamine.","Organic letters","2017","19","1","162","165","10.1021/acs.orglett.6b03465","","","0.71073","MoKα","","0.0545","0.0402","","0.1028","0.0958","0.1028","","","","","","0.9729","","","","has coordinates","191320","2020-10-21","18:00:00",""
"1545229","9.9367","0.0005","11.6098","0.0006","12.8011","0.0006","104.929","0.002","105.574","0.002","111.041","0.002","1220.44","0.11","120","2","120","2","","","","","","","","6","P -1","-P 1","2","","","","- C25 H35 N O2 S Si -","- C25 H35 N O2 S Si -","- C50 H70 N2 O4 S2 Si2 -","2","1","","Kim, Youngchan; Dateer, Ramesh B.; Chang, Sukbok","Borane-Catalyzed Selective Hydrosilylation of Internal Ynamides Leading to β-Silyl (Z)-Enamides.","Organic letters","2017","19","1","190","193","10.1021/acs.orglett.6b03485","","","0.71073","MoKα","","0.0513","0.0388","","","0.0935","0.1003","","","","","","0.953","","","","has coordinates","191321","2020-10-21","18:00:00",""
"1545230","11.204","0.004","16.267","0.005","7.421","0.002","90","","90","","90","","1352.5","0.7","296","2","296","2","","","","","","","","5","P n a 21","P 2c -2n","33","","","","- C17 H14 F N O -","- C17 H14 F N O -","- C68 H56 F4 N4 O4 -","4","1","","Tiwari, Virendra Kumar; Kamal, Neha; Kapur, Manmohan","One Substrate, Two Modes of C-H Functionalization: A Metal-Controlled Site-Selectivity Switch in C-H Arylation Reactions.","Organic letters","2017","19","1","262","265","10.1021/acs.orglett.6b03558","","","0.71073","MoKα","","0.1393","0.0542","","","0.1425","0.1799","","","","","","0.985","","","","has coordinates","191322","2020-10-21","18:00:00",""
"1545231","7.5929","0.0003","11.2125","0.0005","23.7488","0.001","90","","90","","90","","2021.86","0.15","273","","273","","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C17 H30 N O3 Si -","- C17 H31 N O3 Si -","- C68 H124 N4 O12 Si4 -","4","1","","Sagawa, Naoya; Sato, Haruka; Hosokawa, Seijiro","Remote Asymmetric Induction Using Acetate-Type Vinylketene Silyl N,O-Acetals.","Organic letters","2017","19","1","198","201","10.1021/acs.orglett.6b03476","","","1.54187","CuKα","","0.0535","0.0476","","","0.1254","0.1285","","","","","","1.208","","","","has coordinates","191323","2020-10-21","18:00:00",""
"1545232","10.6064","0.0002","23.8323","0.0004","13.3936","0.0003","90","","98.0064","0.0012","90","","3352.57","0.11","173","","173","","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C38 H41 N O3 Si -","- C38 H41 N O3 Si -","- C152 H164 N4 O12 Si4 -","4","2","","Sagawa, Naoya; Sato, Haruka; Hosokawa, Seijiro","Remote Asymmetric Induction Using Acetate-Type Vinylketene Silyl N,O-Acetals.","Organic letters","2017","19","1","198","201","10.1021/acs.orglett.6b03476","","","1.54187","CuKα","","0.0536","0.0415","","","0.0992","0.1158","","","","","","1.095","","","","has coordinates","191324","2020-10-21","18:00:00",""
"1545233","10.867","0.002","13.296","0.003","17.981","0.004","90","","90","","90","","2598","1","100","2","100","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C26 H41 N3 O2 -","- C26 H41 N3 O2 -","- C104 H164 N12 O8 -","4","1","","Qiu, Guanyinsheng; Wang, Qian; Zhu, Jieping","Palladium-Catalyzed Three-Component Reaction of Propargyl Carbonates, Isocyanides, and Alcohols or Water: Switchable Synthesis of Pyrroles and Its Bicyclic Analogues.","Organic letters","2017","19","1","270","273","10.1021/acs.orglett.6b03592","","","0.71073","MoKα","","0.1092","0.0572","","","0.091","0.1069","","","","","","1.157","","","","has coordinates","191325","2020-10-21","18:00:00",""
"1545234","7.1962","0.0005","9.4529","0.0007","16.5643","0.0012","99.095","0.006","99.786","0.006","91.947","0.006","1094.28","0.14","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C24 H22 N4 O2 S -","- C24 H22 N4 O2 S -","- C48 H44 N8 O4 S2 -","2","1","","Zhou, Wei; Zhang, Min; Li, Hanhui; Chen, Wanzhi","One-Pot Three-Component Synthesis of Enamine-Functionalized 1,2,3-Triazoles via Cu-Catalytic Azide-Alkyne Click (CuAAC) and Cu-Catalyzed Vinyl Nitrene Transfer Sequence.","Organic letters","2017","19","1","10","13","10.1021/acs.orglett.6b02850","","","0.71073","MoKα","","0.0829","0.061","","","0.1588","0.1804","","","","","","1.019","","","","has coordinates","191326","2020-10-21","18:00:00",""
"1545235","11.8946","0.0009","7.631","0.0006","12.2455","0.001","90","","112.27","0.004","90","","1028.59","0.14","173","","173","","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C21 H29 N O4 -","- C21 H29 N O4 -","- C42 H58 N2 O8 -","2","1","","Sagawa, Naoya; Moriya, Hiroki; Hosokawa, Seijiro","Syn Selective Vinylogous Mukaiyama Aldol Reaction Using Z,E-Vinylketene N,O-Acetal with Acetals.","Organic letters","2017","19","1","250","253","10.1021/acs.orglett.6b03549","","","1.54187","CuKα","","0.1918","0.0901","","","0.1846","0.2607","","","","","","0.907","","","","has coordinates","191327","2020-10-21","18:00:00",""
"1545236","5.517","0.002","7.786","0.002","27.221","0.008","90","","90","","90","","1169.3","0.6","173","2","173","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C13 H17 N O2 -","- C13 H17 N O2 -","- C52 H68 N4 O8 -","4","1","","Bao, Deng-Hui; Gu, Xue-Song; Xie, Jian-Hua; Zhou, Qi-Lin","Iridium-Catalyzed Asymmetric Hydrogenation of Racemic β-Keto Lactams via Dynamic Kinetic Resolution.","Organic letters","2017","19","1","118","121","10.1021/acs.orglett.6b03397","","","1.54187","CuKα","","0.0301","0.029","","","0.0773","0.0794","","","","","","1.086","","","","has coordinates","191328","2020-10-21","18:00:00",""
"1545237","20.629","0.005","9.174","0.0019","16.177","0.004","90","","103.101","0.006","90","","2981.8","1.2","296","2","296","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","'trans-3-Methyl-4-oxo-2-phenyl-2,3,4,5-tetrahydro-1H-benzo[d] azepine-1-carboxylic acid'","","- C18 H17 N O3 -","- C18 H17 N O3 -","- C144 H136 N8 O24 -","8","1","","Adamovskyi, Mykhailo I.; Ryabukhin, Sergey V.; Sibgatulin, Dmitriy A.; Rusanov, Eduard; Grygorenko, Oleksandr O.","Beyond the Five and Six: Evaluation of Seven-Membered Cyclic Anhydrides in the Castagnoli-Cushman Reaction.","Organic letters","2017","19","1","130","133","10.1021/acs.orglett.6b03426","","","0.71073","MoKα","","0.0983","0.06","","","0.1455","0.1704","","","","","","1.016","","","","has coordinates,has disorder","191329","2020-10-21","18:00:00",""
"1545238","16.515","0.0006","29.077","0.001","19.3491","0.0007","90","","110.59","0.002","90","","8698","0.5","90","2","90","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C38.625 H55 N2 O14.875 -","- C38.625 H55 N2 O14.875 -","- C309 H440 N16 O119 -","8","4","","Williams, David E.; Dalisay, Doralyn S.; Chen, Jessie; Polishchuck, Elena A.; Patrick, Brian O.; Narula, Gagandeep; Ko, Mary; Av-Gay, Yossef; Li, Haoxin; Magarvey, Nathan; Andersen, Raymond J.","Aminorifamycins and Sporalactams Produced in Culture by a Micromonospora sp. Isolated from a Northeastern-Pacific Marine Sediment Are Potent Antibiotics.","Organic letters","2017","19","4","766","769","10.1021/acs.orglett.6b03619","","x-ray","1.54178","CuKα","","0.0685","0.0629","","","0.1698","0.1762","","","","","","1.029","","","","has coordinates,has disorder","217633","2020-10-21","18:00:00",""
"1545240","15.39008","0.00013","16.17413","0.0001","18.85694","0.00014","90","","104.129","0.0008","90","","4551.9","0.06","150","0.1","150","0.1","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C48 H32 N8 O9.5 Pd2 -","- C44.15 H28.15 N8 O9.5 Pd2 -","- C176.6 H112.6 N32 O38 Pd8 -","4","1","","Goitia, Asier; Gómez-Bengoa, Enrique; Correa, Arkaitz","Selective C(sp(2))-H Halogenation of ""Click"" 4-Aryl-1,2,3-triazoles.","Organic letters","2017","19","4","962","965","10.1021/acs.orglett.7b00275","","","1.5418","CuKα","","0.0602","0.0567","","","0.1568","0.1608","","","","","","1.057","","","","has coordinates,has disorder","217633","2020-10-21","18:00:00",""
"1545241","5.874","0.0004","13.082","0.0007","19.297","0.0012","90","","90","","90","","1482.85","0.16","100","2","99.65","","","","","","","","","5","P n m a","-P 2ac 2n","62","","","","- C14 H8 O6 Pb S -","- C14 H8 O6 Pb S -","- C56 H32 O24 Pb4 S4 -","4","0.5","","Alkordi, Mohamed H.; Belmabkhout, Youssef; Cairns, Amy; Eddaoudi, Mohamed","Metal‒organic frameworks for H~2~ and CH~4~ storage: insights on the pore geometry‒sorption energetics relationship","IUCrJ","2017","4","2","131","135","10.1107/S2052252516019060","","","1.54178","CuKα","","0.04","0.0387","","","0.1014","0.1025","","","","","","0.888","","","","has coordinates","193978","2020-10-21","18:00:00",""
"1545242","15.3026","0.0006","12.0184","0.0004","10.1214","0.0004","90","","90.552","0.003","90","","1861.37","0.12","100","2","100","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","4-(4-bromophenyl)-2-fluoro-N-phenylchromane-5-carboxamide","","- C22 H17 Br F N O2 -","- C22 H17 Br F N O2 -","- C88 H68 Br4 F4 N4 O8 -","4","1","","Thornbury, Richard T.; Saini, Vaneet; Fernandes, Talita de A; Santiago, Celine B.; Talbot, Eric P. A.; Sigman, Matthew S.; McKenna, Jeffrey M.; Toste, F. Dean","The development and mechanistic investigation of a palladium-catalyzed 1,3-arylfluorination of chromenes.","Chemical science","2017","8","4","2890","2897","10.1039/c6sc05102b","","","1.54178","CuKα","","0.0447","0.0372","","","0.0915","0.0963","","","","","","1.038","","","","has coordinates","196342","2020-10-21","18:00:00",""
"1545244","6.4895","0.0002","13.6285","0.0005","15.008","0.0005","116.937","0.001","99.212","0.001","91.939","0.001","1159.51","0.07","150","2","150","2","","","","","","","","5","P -1","-P 1","2","","","","- C20 H23 Cr Eu O11 -","- C20 H23 Cr Eu O11 -","- C40 H46 Cr2 Eu2 O22 -","2","1","","Gavrikov, Andrey V.; Koroteev, Pavel S.; Efimov, Nikolay N.; Dobrokhotova, Zhanna V.; Ilyukhin, Andrey B.; Kostopoulos, Andreas K.; Ariciu, Ana-Maria; Novotortsev, Vladimir M.","Novel mononuclear and 1D-polymeric derivatives of lanthanides and (η(6)-benzoic acid)tricarbonylchromium: synthesis, structure and magnetism.","Dalton transactions (Cambridge, England : 2003)","2017","46","10","3369","3380","10.1039/c6dt04895a","","","0.71073","MoKα","","0.0405","0.0335","","","0.0706","0.0735","","","","","","1.007","","","","has coordinates,has disorder","195053","2020-10-21","18:00:00",""
"1545245","6.4691","0.0003","13.6049","0.0006","14.9858","0.0007","116.985","0.001","99.076","0.001","91.981","0.001","1152.14","0.09","150","2","150","2","","","","","","","","5","P -1","-P 1","2","","","","- C20 H23 Cr O11 Tb -","- C20 H23 Cr O11 Tb -","- C40 H46 Cr2 O22 Tb2 -","2","1","","Gavrikov, Andrey V.; Koroteev, Pavel S.; Efimov, Nikolay N.; Dobrokhotova, Zhanna V.; Ilyukhin, Andrey B.; Kostopoulos, Andreas K.; Ariciu, Ana-Maria; Novotortsev, Vladimir M.","Novel mononuclear and 1D-polymeric derivatives of lanthanides and (η(6)-benzoic acid)tricarbonylchromium: synthesis, structure and magnetism.","Dalton transactions (Cambridge, England : 2003)","2017","46","10","3369","3380","10.1039/c6dt04895a","","","0.71073","MoKα","","0.0297","0.0246","","","0.063","0.066","","","","","","0.857","","","","has coordinates,has disorder","195053","2020-10-21","18:00:00",""
"1545246","23.2279","0.0007","10.5289","0.0003","18.9114","0.0005","90","","94.075","0.001","90","","4613.4","0.2","150","2","150","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C20 H21 Cr Dy O10 -","- C20 H21 Cr Dy O10 -","- C160 H168 Cr8 Dy8 O80 -","8","1","","Gavrikov, Andrey V.; Koroteev, Pavel S.; Efimov, Nikolay N.; Dobrokhotova, Zhanna V.; Ilyukhin, Andrey B.; Kostopoulos, Andreas K.; Ariciu, Ana-Maria; Novotortsev, Vladimir M.","Novel mononuclear and 1D-polymeric derivatives of lanthanides and (η(6)-benzoic acid)tricarbonylchromium: synthesis, structure and magnetism.","Dalton transactions (Cambridge, England : 2003)","2017","46","10","3369","3380","10.1039/c6dt04895a","","","0.71073","MoKα","","0.0591","0.0334","","","0.0602","0.0674","","","","","","0.926","","","","has coordinates","195053","2020-10-21","18:00:00",""
"1545247","23.0974","0.0009","10.4746","0.0004","18.9178","0.0007","90","","93.987","0.001","90","","4565.8","0.3","150","2","150","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C20 H21 Cr O10 Yb -","- C20 H21 Cr O10 Yb -","- C160 H168 Cr8 O80 Yb8 -","8","1","","Gavrikov, Andrey V.; Koroteev, Pavel S.; Efimov, Nikolay N.; Dobrokhotova, Zhanna V.; Ilyukhin, Andrey B.; Kostopoulos, Andreas K.; Ariciu, Ana-Maria; Novotortsev, Vladimir M.","Novel mononuclear and 1D-polymeric derivatives of lanthanides and (η(6)-benzoic acid)tricarbonylchromium: synthesis, structure and magnetism.","Dalton transactions (Cambridge, England : 2003)","2017","46","10","3369","3380","10.1039/c6dt04895a","","","0.71073","MoKα","","0.0493","0.0309","","","0.0615","0.0678","","","","","","0.971","","","","has coordinates","195053","2020-10-21","18:00:00",""
"1545248","23.2334","0.0008","10.5294","0.0004","18.9043","0.0006","90","","94.013","0.001","90","","4613.3","0.3","150","2","150","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C20 H21 Cr Ho O10 -","- C20 H21 Cr Ho O10 -","- C160 H168 Cr8 Ho8 O80 -","8","1","","Gavrikov, Andrey V.; Koroteev, Pavel S.; Efimov, Nikolay N.; Dobrokhotova, Zhanna V.; Ilyukhin, Andrey B.; Kostopoulos, Andreas K.; Ariciu, Ana-Maria; Novotortsev, Vladimir M.","Novel mononuclear and 1D-polymeric derivatives of lanthanides and (η(6)-benzoic acid)tricarbonylchromium: synthesis, structure and magnetism.","Dalton transactions (Cambridge, England : 2003)","2017","46","10","3369","3380","10.1039/c6dt04895a","","","0.71073","MoKα","","0.0311","0.0209","","","0.0422","0.0452","","","","","","1.112","","","","has coordinates","195053","2020-10-21","18:00:00",""
"1545249","6.4695","0.0002","13.5666","0.0005","14.9597","0.0005","63.118","0.001","79.245","0.001","88.01","0.001","1148.7","0.07","150","2","150","2","","","","","","","","5","P -1","-P 1","2","","","","- C20 H23 Cr Dy O11 -","- C20 H23 Cr Dy O11 -","- C40 H46 Cr2 Dy2 O22 -","2","1","","Gavrikov, Andrey V.; Koroteev, Pavel S.; Efimov, Nikolay N.; Dobrokhotova, Zhanna V.; Ilyukhin, Andrey B.; Kostopoulos, Andreas K.; Ariciu, Ana-Maria; Novotortsev, Vladimir M.","Novel mononuclear and 1D-polymeric derivatives of lanthanides and (η(6)-benzoic acid)tricarbonylchromium: synthesis, structure and magnetism.","Dalton transactions (Cambridge, England : 2003)","2017","46","10","3369","3380","10.1039/c6dt04895a","","","0.71073","MoKα","","0.0308","0.0263","","","0.0626","0.0643","","","","","","1.045","","","","has coordinates,has disorder","195053","2020-10-21","18:00:00",""
"1545250","6.4819","0.0005","13.6371","0.001","14.9951","0.0011","116.902","0.0019","99.17","0.002","91.939","0.002","1158.45","0.15","150","2","150","2","","","","","","","","5","P -1","-P 1","2","","","","- C20 H23 Cr Gd O11 -","- C20 H23 Cr Gd O11 -","- C40 H46 Cr2 Gd2 O22 -","2","1","","Gavrikov, Andrey V.; Koroteev, Pavel S.; Efimov, Nikolay N.; Dobrokhotova, Zhanna V.; Ilyukhin, Andrey B.; Kostopoulos, Andreas K.; Ariciu, Ana-Maria; Novotortsev, Vladimir M.","Novel mononuclear and 1D-polymeric derivatives of lanthanides and (η(6)-benzoic acid)tricarbonylchromium: synthesis, structure and magnetism.","Dalton transactions (Cambridge, England : 2003)","2017","46","10","3369","3380","10.1039/c6dt04895a","","","0.71073","MoKα","","0.0652","0.0461","","","0.1045","0.1141","","","","","","1.091","","","","has coordinates,has disorder","195053","2020-10-21","18:00:00",""
"1545251","23.3696","0.001","10.6048","0.0005","18.9372","0.0008","90","","94.218","0.001","90","","4680.5","0.4","150","2","150","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C20 H21 Cr Eu O10 -","- C20 H21 Cr Eu O10 -","- C160 H168 Cr8 Eu8 O80 -","8","1","","Gavrikov, Andrey V.; Koroteev, Pavel S.; Efimov, Nikolay N.; Dobrokhotova, Zhanna V.; Ilyukhin, Andrey B.; Kostopoulos, Andreas K.; Ariciu, Ana-Maria; Novotortsev, Vladimir M.","Novel mononuclear and 1D-polymeric derivatives of lanthanides and (η(6)-benzoic acid)tricarbonylchromium: synthesis, structure and magnetism.","Dalton transactions (Cambridge, England : 2003)","2017","46","10","3369","3380","10.1039/c6dt04895a","","","0.71073","MoKα","","0.0445","0.0264","","","0.0559","0.0614","","","","","","0.966","","","","has coordinates","195053","2020-10-21","18:00:00",""
"1545253","5.5613","0.0011","12.363","0.003","13.729","0.003","97.92","0.03","99.81","0.03","99.47","0.03","904","0.4","293","2","293","2","","","","","","","","4","P -1","-P 1","2","","","","- C16 H9 F13 O2 -","- C16 H9 F13 O2 -","- C32 H18 F26 O4 -","2","1","","Liao, Jianhua; Fan, Lianfeng; Guo, Wei; Zhang, Zhenming; Li, Jiawei; Zhu, Chuanle; Ren, Yanwei; Wu, Wanqing; Jiang, Huanfeng","Palladium-Catalyzed Fluoroalkylative Cyclization of Olefins.","Organic letters","2017","19","5","1008","1011","10.1021/acs.orglett.6b03865","","","0.71073","MoKα","","0.2112","0.155","","","0.4315","0.4729","","","","","","1.628","","","","has coordinates","193637","2020-10-21","18:00:00",""
"1545254","10.8723","0.0002","8.4197","0.0002","14.4418","0.0003","90","","93.434","0.001","90","","1319.65","0.05","200","2","200","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C26 H29 N O9 S -","- C26 H29 N O9 S -","- C52 H58 N2 O18 S2 -","2","1","","Probst, Nicolas; Martin, Amélie; Désiré, Jérôme; Mingot, Agnès; Marrot, Jérôme; Blériot, Yves; Thibaudeau, Sébastien","HF-Induced Intramolecular C-Arylation and C-Alkylation/Fluorination of 2-Aminoglycopyranoses.","Organic letters","2017","19","5","1040","1043","10.1021/acs.orglett.7b00003","","","0.71073","MoKα","","0.0662","0.0485","","","0.1103","0.1197","","","","","","1.031","","","","has coordinates","193636","2020-10-21","18:00:00",""
"1545255","10.4852","0.001","10.4852","0.001","23.308","0.003","90","","90","","120","","2219.2","0.4","240","0.14","240","0.14","","","","","","","","6","P 63/m","-P 6c","176","","","","- C30 H30 B2 F8 Fe N24 -","- C30 H30 B2 F7.99 Fe N24 -","- C60 H60 B4 F15.98 Fe2 N48 -","2","0.166667","","Giménez-Marqués, Mónica; Calvo Galve, Néstor; Palomino, Miguel; Valencia, Susana; Rey, Fernando; Sastre, Germán; Vitórica-Yrezábal, Iñigo J.; Jiménez-Ruiz, Mónica; Rodríguez-Velamazán, J. Alberto; González, Miguel A.; Jordá, José L.; Coronado, Eugenio; Espallargas, Guillermo Mínguez","Gas confinement in compartmentalized coordination polymers for highly selective sorption","Chem. Sci.","2017","8","4","3109","","10.1039/C6SC05122G","","x-ray","0.71073","MoKα","","0.2252","0.1085","","","0.2302","0.3038","","","","","","1.055","","","","has coordinates,has disorder","194998","2020-10-21","18:00:00",""
"1545256","10.369","0.0005","10.369","0.0005","22.9628","0.0015","90","","90","","120","","2138.1","0.2","120","2","120.15","","","","","","","","","6","P 63/m","-P 6c","176","","","","- C30 H30 B2 F8 Fe N24 -","- C30 H30 B2 F8 Fe N24 -","- C60 H60 B4 F16 Fe2 N48 -","2","0.166667","","Giménez-Marqués, Mónica; Calvo Galve, Néstor; Palomino, Miguel; Valencia, Susana; Rey, Fernando; Sastre, Germán; Vitórica-Yrezábal, Iñigo J.; Jiménez-Ruiz, Mónica; Rodríguez-Velamazán, J. Alberto; González, Miguel A.; Jordá, José L.; Coronado, Eugenio; Espallargas, Guillermo Mínguez","Gas confinement in compartmentalized coordination polymers for highly selective sorption","Chem. Sci.","2017","8","4","3109","","10.1039/C6SC05122G","","","0.71073","MoKα","","0.1389","0.109","","","0.2739","0.2978","","","","","","1.08","","","","has coordinates,has disorder","194998","2020-10-21","18:00:00",""
"1545257","10.55931","0.00006","10.55931","0.00006","23.6672","0.0002","90","","90","","120","","2285.33","0.03","298","","298","","","","","","","","","6","P 63/m","-P 6c","176","","","","- C31.12 H30 Cl2 Fe N24 O10.24 -","- C31.1232 H30 Cl2 Fe N24 O10.2464 -","- C62.2464 H60 Cl4 Fe2 N48 O20.4928 -","2","0.166667","","Giménez-Marqués, Mónica; Calvo Galve, Néstor; Palomino, Miguel; Valencia, Susana; Rey, Fernando; Sastre, Germán; Vitórica-Yrezábal, Iñigo J.; Jiménez-Ruiz, Mónica; Rodríguez-Velamazán, J. Alberto; González, Miguel A.; Jordá, José L.; Coronado, Eugenio; Espallargas, Guillermo Mínguez","Gas confinement in compartmentalized coordination polymers for highly selective sorption","Chem. Sci.","2017","8","4","3109","","10.1039/C6SC05122G","powder diffraction","","0.799933","","","","","","","","","","","2.183","","","","","","","has coordinates","213921","2020-10-21","18:00:00",""
"1545258","10.52034","0.00006","10.52034","0.00006","23.5917","0.0003","90","","90","","120","","2261.25","0.03","298","","298","","","","","","","","","6","P 63/m","-P 6c","176","","","","- C31.63 H33.26 Cl2 Fe N24 O8 -","- C31.6356 H33.2712 Cl2 Fe N24 O8 -","- C63.2712 H66.5424 Cl4 Fe2 N48 O16 -","2","0.166667","","Giménez-Marqués, Mónica; Calvo Galve, Néstor; Palomino, Miguel; Valencia, Susana; Rey, Fernando; Sastre, Germán; Vitórica-Yrezábal, Iñigo J.; Jiménez-Ruiz, Mónica; Rodríguez-Velamazán, J. Alberto; González, Miguel A.; Jordá, José L.; Coronado, Eugenio; Espallargas, Guillermo Mínguez","Gas confinement in compartmentalized coordination polymers for highly selective sorption","Chem. Sci.","2017","8","4","3109","","10.1039/C6SC05122G","powder diffraction","","0.799933","","","","","","","","","","","1.919","","","","","","","has coordinates","213921","2020-10-21","18:00:00",""
"1545259","10.5426","0.0002","10.5426","0.0002","23.6588","0.0005","90","","90","","120","","2277.29","0.08","298","","298","","","","","","","","","6","P 63/m","-P 6c","176","","","","- C30.78 H33.12 Cl2 Fe N24 O8 -","- C30.78 H33.12 Cl2 Fe N24 O8 -","- C61.56 H66.24 Cl4 Fe2 N48 O16 -","2","0.166667","","Giménez-Marqués, Mónica; Calvo Galve, Néstor; Palomino, Miguel; Valencia, Susana; Rey, Fernando; Sastre, Germán; Vitórica-Yrezábal, Iñigo J.; Jiménez-Ruiz, Mónica; Rodríguez-Velamazán, J. Alberto; González, Miguel A.; Jordá, José L.; Coronado, Eugenio; Espallargas, Guillermo Mínguez","Gas confinement in compartmentalized coordination polymers for highly selective sorption","Chem. Sci.","2017","8","4","3109","","10.1039/C6SC05122G","powder diffraction","","0.799933","","","","","","","","","","","1.285","","","","","","","has coordinates","213921","2020-10-21","18:00:00",""
"1545260","10.57127","0.0001","10.57127","0.0001","23.4813","0.00037","90","","90","","120","","2272.52","0.05","298","","298","","","","","","","","","7","P 63/m","-P 6c","176","","","","- C31.044 H30 B2 F8 Fe N24 O2.088 -","- C31.044 H30 B2 F8 Fe N24 O2.088 -","- C62.088 H60 B4 F16 Fe2 N48 O4.176 -","2","0.166667","","Giménez-Marqués, Mónica; Calvo Galve, Néstor; Palomino, Miguel; Valencia, Susana; Rey, Fernando; Sastre, Germán; Vitórica-Yrezábal, Iñigo J.; Jiménez-Ruiz, Mónica; Rodríguez-Velamazán, J. Alberto; González, Miguel A.; Jordá, José L.; Coronado, Eugenio; Espallargas, Guillermo Mínguez","Gas confinement in compartmentalized coordination polymers for highly selective sorption","Chem. Sci.","2017","8","4","3109","","10.1039/C6SC05122G","powder diffraction","","0.799933","","","","","","","","","","","3.271","","","","","","","has coordinates","213921","2020-10-21","18:00:00",""
"1545261","10.57281","0.000077","10.57281","0.000077","23.49996","0.00033","90","","90","","120","","2274.99","0.04","298","","298","","","","","","","","","6","P 63/m","-P 6c","176","","","","- C31.8 H33.6 B2 F8 Fe N24 -","- C31.7976 H33.5952 B2 F8 Fe N24 -","- C63.5952 H67.1904 B4 F16 Fe2 N48 -","2","0.166667","","Giménez-Marqués, Mónica; Calvo Galve, Néstor; Palomino, Miguel; Valencia, Susana; Rey, Fernando; Sastre, Germán; Vitórica-Yrezábal, Iñigo J.; Jiménez-Ruiz, Mónica; Rodríguez-Velamazán, J. Alberto; González, Miguel A.; Jordá, José L.; Coronado, Eugenio; Espallargas, Guillermo Mínguez","Gas confinement in compartmentalized coordination polymers for highly selective sorption","Chem. Sci.","2017","8","4","3109","","10.1039/C6SC05122G","powder diffraction","","0.799933","","","","","","","","","","","3.738","","","","","","","has coordinates","213921","2020-10-21","18:00:00",""
"1545262","10.5681","0.00007","10.5681","0.00007","23.4989","0.0003","90","","90","","120","","2272.86","0.04","298","","298","","","","","","","","","6","P 63/m","-P 6c","176","","","","- C30.84 H33.36 B2 F8 Fe N24 -","- C30.84 H33.36 B2 F8 Fe N24 -","- C61.68 H66.72 B4 F16 Fe2 N48 -","2","0.166667","","Giménez-Marqués, Mónica; Calvo Galve, Néstor; Palomino, Miguel; Valencia, Susana; Rey, Fernando; Sastre, Germán; Vitórica-Yrezábal, Iñigo J.; Jiménez-Ruiz, Mónica; Rodríguez-Velamazán, J. Alberto; González, Miguel A.; Jordá, José L.; Coronado, Eugenio; Espallargas, Guillermo Mínguez","Gas confinement in compartmentalized coordination polymers for highly selective sorption","Chem. Sci.","2017","8","4","3109","","10.1039/C6SC05122G","powder diffraction","","0.799933","","","","","","","","","","","3.442","","","","","","","has coordinates","213921","2020-10-21","18:00:00",""
"1545263","18.258","0.003","11.064","0.0009","14.334","0.0013","90","","101.816","0.005","90","","2834.2","0.6","293","2","293","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C24 H26 Cl2 Co N4 O9 -","- C24 H26 Cl2 Co N4 O9 -","- C96 H104 Cl8 Co4 N16 O36 -","4","1","","Vallejo, J.; Pardo, E.; Viciano-Chumillas, M.; Castro, I.; Amorós, P.; Déniz, M.; Ruiz-Pérez, C.; Yuste-Vivas, C.; Krzystek, J.; Julve, M.; Lloret, F.; Cano, J.","Reversible solvatomagnetic switching in a single-ion magnet from an entatic state","Chem. Sci.","2017","8","5","3694","","10.1039/C6SC05188J","","x-ray","0.71073","MoKα","","0.1511","0.0786","","","0.168","0.2024","","","","","","1.066","","","","has coordinates","196336","2020-10-21","18:00:00",""
"1545264","18.0546","0.0011","11.9616","0.0007","13.4228","0.0007","90","","105.413","0.003","90","","2794.6","0.3","293","2","293","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C24 H24 Cl2 Co N4 O8 -","- C24 H24 Cl2 Co N4 O8 -","- C96 H96 Cl8 Co4 N16 O32 -","4","1","","Vallejo, J.; Pardo, E.; Viciano-Chumillas, M.; Castro, I.; Amorós, P.; Déniz, M.; Ruiz-Pérez, C.; Yuste-Vivas, C.; Krzystek, J.; Julve, M.; Lloret, F.; Cano, J.","Reversible solvatomagnetic switching in a single-ion magnet from an entatic state","Chem. Sci.","2017","8","5","3694","","10.1039/C6SC05188J","","","0.71073","MoKα","","0.1351","0.0805","","","0.2239","0.265","","","","","","0.972","","","","has coordinates","196336","2020-10-21","18:00:00",""
"1545265","9.728","0.0012","18.602","0.002","21.538","0.003","90","","95.419","0.002","90","","3880.1","0.8","150","2","150","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","ClOlumboleRuthenocene","","- C38 H55 Cl Pb Ru Si2 -","- C38 H55 Cl Pb Ru Si2 -","- C152 H220 Cl4 Pb4 Ru4 Si8 -","4","1","","Nakada, Marisa; Kuwabara, Takuya; Furukawa, Shunsuke; Hada, Masahiko; Minoura, Mao; Saito, Masaichi","Synthesis and reactivity of a ruthenocene-type complex bearing an aromatic π-ligand with the heaviest group 14 element","Chem. Sci.","2017","8","4","3092","","10.1039/C6SC04843A","","","0.71073","MoKα","","0.0699","0.0361","","","0.0603","0.0671","","","","","","1.023","","","","has coordinates","195005","2020-10-21","18:00:00",""
"1545266","10.393","0.0005","22.3163","0.001","39.5129","0.0017","90","","90","","90","","9164.4","0.7","100","2","100","2","","","","","","","","6","P b c a","-P 2ac 2ab","61","","IodoPlumboleRuthenocene","","- C44 H69 I Pb Ru Si2 -","- C44 H69 I Pb Ru Si2 -","- C352 H552 I8 Pb8 Ru8 Si16 -","8","1","","Nakada, Marisa; Kuwabara, Takuya; Furukawa, Shunsuke; Hada, Masahiko; Minoura, Mao; Saito, Masaichi","Synthesis and reactivity of a ruthenocene-type complex bearing an aromatic π-ligand with the heaviest group 14 element","Chem. Sci.","2017","8","4","3092","","10.1039/C6SC04843A","","","0.71073","MoKα","","0.069","0.0471","","","0.0918","0.0987","","","","","","1.077","","","","has coordinates,has disorder","195005","2020-10-21","18:00:00",""
"1545267","16.7796","0.0015","11.2019","0.0011","21.597","0.002","90","","98.91","0.001","90","","4010.5","0.6","150","2","150","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C40.55 H59.95 Cl0.15 Pb Ru Si2 -","- C40.55 H59.95 Cl0.15 Pb Ru Si2 -","- C162.2 H239.8 Cl0.6 Pb4 Ru4 Si8 -","4","1","","Nakada, Marisa; Kuwabara, Takuya; Furukawa, Shunsuke; Hada, Masahiko; Minoura, Mao; Saito, Masaichi","Synthesis and reactivity of a ruthenocene-type complex bearing an aromatic π-ligand with the heaviest group 14 element","Chem. Sci.","2017","8","4","3092","","10.1039/C6SC04843A","","","0.71073","MoKα","","0.0289","0.023","","","0.0499","0.0518","","","","","","1.025","","","","has coordinates,has disorder","195005","2020-10-21","18:00:00",""
"1545268","12.7785","0.0007","14.3628","0.0008","15.1226","0.0009","97.836","0.001","96.992","0.001","93.261","0.001","2721.5","0.3","100","2","100","2","","","","","","","","7","P -1","-P 1","2","","Anionic PlumboleRuthenocene","","- C54 H87 Li O4 Pb Ru Si2 -","- C54 H87 Li O4 Pb Ru Si2 -","- C108 H174 Li2 O8 Pb2 Ru2 Si4 -","2","1","","Nakada, Marisa; Kuwabara, Takuya; Furukawa, Shunsuke; Hada, Masahiko; Minoura, Mao; Saito, Masaichi","Synthesis and reactivity of a ruthenocene-type complex bearing an aromatic π-ligand with the heaviest group 14 element","Chem. Sci.","2017","8","4","3092","","10.1039/C6SC04843A","","","0.71073","MoKα","","0.0467","0.038","","","0.0831","0.0872","","","","","","1.005","","","","has coordinates","195005","2020-10-21","18:00:00",""
"1545269","9.281","0.017","9.281","0.017","22.07","0.05","90","","90","","90","","1901","7","293","2","293","2","","","","","","","","4","I 41 2 2","I 4bw 2bw","98","","","","- C12 H5 Cu2 N9 -","- C12 H5 Cu2 N9 -","- C48 H20 Cu8 N36 -","4","0.25","","Zhao, Nian; Li, Ping; Mu, Xin; Liu, Chuanfang; Sun, Fuxing; Zhu, Guangshan","Facile synthesis of an ultra-stable metal-organic framework with excellent acid and base resistance","Faraday Discuss.","2017","","","","","10.1039/C7FD00017K","","","0.71073","MoKα","","0.0993","0.0721","","","0.1753","0.1951","","","","","","1.056","","","","has coordinates,has disorder","192050","2020-10-21","18:00:00",""
"1545270","6.4419","0.0001","14.7348","0.0002","10.7176","0.0001","90","","106.31","0.001","90","","976.38","0.02","150","2","150","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C18 H22 N2 O7 S -","- C18 H22 N2 O7 S -","- C36 H44 N4 O14 S2 -","2","1","","Gregory, Georgina L.; Hierons, Elizabeth M.; Kociok-Köhn, Gabriele; Sharma, Ram I.; Buchard, Antoine","CO2-Driven stereochemical inversion of sugars to create thymidine-based polycarbonates by ring-opening polymerisation","Polym. Chem.","2017","8","10","1714","","10.1039/C7PY00118E","","x-ray","1.54184","CuKα","","0.0293","0.0286","","","0.0736","0.0742","","","","","","1.045","","","","has coordinates","195188","2020-10-21","18:00:00",""
"1545271","7.0627","0.0002","9.6573","0.0004","10.032","0.0003","90","","110.448","0.004","90","","641.13","0.04","150","2","150","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C12 H14 N2 O6 -","- C12 H14 N2 O6 -","- C24 H28 N4 O12 -","2","1","","Gregory, Georgina L.; Hierons, Elizabeth M.; Kociok-Köhn, Gabriele; Sharma, Ram I.; Buchard, Antoine","CO2-Driven stereochemical inversion of sugars to create thymidine-based polycarbonates by ring-opening polymerisation","Polym. Chem.","2017","8","10","1714","","10.1039/C7PY00118E","","x-ray","1.54184","CuKα","","0.033","0.0314","","","0.0779","0.0792","","","","","","1.06","","","","has coordinates","195188","2020-10-21","18:00:00",""
"1545272","15.3952","0.0008","13.019","0.0006","38.748","0.002","90","","90","","90","","7766.3","0.7","293","2","293","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C11 H23 Br4 Fe N2 -","- C11 H23 Br4 Fe N2 -","- C176 H368 Br64 Fe16 N32 -","16","2","","Lu, Bing; Zhu, Fan; Sun, Hong-Mei; Shen, Qi","Esterification of the Primary Benzylic C-H Bonds with Carboxylic Acids Catalyzed by Ionic Iron(III) Complexes Containing an Imidazolinium Cation.","Organic letters","2017","19","5","1132","1135","10.1021/acs.orglett.7b00148","","","0.71073","MoKα","","0.1576","0.0661","","","0.137","0.1629","","","","","","0.89","","","","has coordinates","214153","2020-10-21","18:00:00",""
"1545273","15.8245","0.0003","8.2945","0.0002","19.2897","0.0004","90","","106.414","0.002","90","","2428.71","0.09","173","0.1","173","0.1","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C26 H30 N6 O2 -","- C26 H30 N6 O2 -","- C104 H120 N24 O8 -","4","1","","Peng, Lu; Xu, Shidang; Zheng, Xiaokun; Cheng, Xiamin; Zhang, Ruoyu; Liu, Jie; Liu, Bin; Tong, Aijun","Rational Design of a Red-Emissive Fluorophore with AIE and ESIPT Characteristics and Its Application in Light-Up Sensing of Esterase.","Analytical chemistry","2017","89","5","3162","3168","10.1021/acs.analchem.6b04974","","","1.54178","CuKα","","0.0798","0.0581","","","0.1085","0.1176","","","","","","1.078","","","","has coordinates,has disorder","194776","2020-10-21","18:00:00",""
"1545274","8.2282","0.0004","6.994","0.0003","22.3201","0.0009","90","","91.01","0.004","90","","1284.28","0.1","298.6","0.4","298.6","0.4","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C13 H13 N5 O -","- C13 H13 N5 O -","- C52 H52 N20 O4 -","4","1","","Peng, Lu; Xu, Shidang; Zheng, Xiaokun; Cheng, Xiamin; Zhang, Ruoyu; Liu, Jie; Liu, Bin; Tong, Aijun","Rational Design of a Red-Emissive Fluorophore with AIE and ESIPT Characteristics and Its Application in Light-Up Sensing of Esterase.","Analytical chemistry","2017","89","5","3162","3168","10.1021/acs.analchem.6b04974","","","1.54178","CuKα","","0.0623","0.0426","","","0.0672","0.0725","","","","","","1.022","","","","has coordinates","194776","2020-10-21","18:00:00",""
"1545275","10.274","0.002","26.322","0.005","30.561","0.006","90","","90","","90","","8265","3","296","2","296","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C42 H61 Br O9 -","- C42 H61 Br O9 -","- C336 H488 Br8 O72 -","8","2","","Zheng, Dan; Han, Li; Qu, Xiaodan; Chen, Xiu; Zhong, Jialiang; Bi, Xiaoxu; Liu, Jiang; Jiang, Yi; Jiang, Chenglin; Huang, Xueshi","Cytotoxic Fusicoccane-Type Diterpenoids from Streptomyces violascens Isolated from Ailuropoda melanoleuca Feces","Journal of Natural Products","2017","","","","","10.1021/acs.jnatprod.6b00676","","","0.71073","MoKα","","0.2157","0.0594","","","0.0939","0.1304","","","","","","0.912","","","","has coordinates","192202","2020-10-21","18:00:00",""
"1545276","8.5085","0.0009","10.5638","0.0012","23.179","0.003","90","","92.665","0.002","90","","2081.1","0.4","296","2","296","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C22 H19 N O6 S2 -","- C22 H19 N O6 S2 -","- C88 H76 N4 O24 S8 -","4","1","","Xie, Jian; Wang, Yue-Wei; Qi, Lian-Wen; Zhang, Bo","Access to Aminated Saturated Oxygen Heterocycles via Copper-Catalyzed Aminooxygenation of Alkenes.","Organic letters","2017","19","5","1148","1151","10.1021/acs.orglett.7b00182","","","0.71073","MoKα","","0.0469","0.037","","","0.0952","0.1012","","","","","","1.055","","","","has coordinates","193634","2020-10-21","18:00:00",""
"1545277","9.4759","0.0007","9.4759","0.0007","16.7019","0.0011","90","","90","","120","","1298.79","0.16","150","2","150","2","","","","","","","synthesized by the authors","4","P 31","P 31","144","","","","- C18 H26 N2 O4 -","- C18 H26 N2 O4 -","- C54 H78 N6 O12 -","3","1","","Amatov, Tynchtyk; Pohl, Radek; Cisařová, Ivana; Jahn, Ullrich","Sequential Oxidative and Reductive Radical Cyclization Approach toward Asperparaline C and Synthesis of Its 8-Oxo Analogue.","Organic letters","2017","19","5","1152","1155","10.1021/acs.orglett.7b00187","","","0.71073","MoKα","","0.0375","0.0351","","","0.0945","0.0962","","","","","","1.045","","","","has coordinates","193629","2020-10-21","18:00:00",""
"1545278","6.3152","0.0003","16.8108","0.0008","8.4777","0.0004","90","","101.693","0.001","90","","881.35","0.07","150","2","150","2","","","","","","","synthesized by the authors","4","P 1 21 1","P 2yb","4","","","","- C19 H25 N3 O4 -","- C19 H25 N3 O4 -","- C38 H50 N6 O8 -","2","1","","Amatov, Tynchtyk; Pohl, Radek; Cisařová, Ivana; Jahn, Ullrich","Sequential Oxidative and Reductive Radical Cyclization Approach toward Asperparaline C and Synthesis of Its 8-Oxo Analogue.","Organic letters","2017","19","5","1152","1155","10.1021/acs.orglett.7b00187","","","1.54178","CuKα","","0.0271","0.0271","","","0.0681","0.0681","","","","","","1.064","","","","has coordinates","193629","2020-10-21","18:00:00",""
"1545279","10.2983","0.0009","10.3586","0.0009","10.9392","0.001","89.722","0.007","67.73","0.008","85.303","0.007","1075.84","0.18","297","2","297","2","","","","","","","","3","P -1","-P 1","2","","","","- C24 H29 N3 -","- C24 H29 N3 -","- C48 H58 N6 -","2","1","","Senadi, Gopal Chandru; Lu, Ting-Yi; Dhandabani, Ganesh Kumar; Wang, Jeh-Jeng","Palladium-Catalyzed Double-Isocyanide Insertion via Oxidative N-O Cleavage of Acetyl Oximes: Syntheses of 2H-Pyrrol-2-imines.","Organic letters","2017","19","5","1172","1175","10.1021/acs.orglett.7b00208","","x-ray","0.71073","MoKα","","0.1173","0.0619","","","0.1276","0.1574","","","","","","1.016","","","","has coordinates","193638","2020-10-21","18:00:00",""
"1545280","22.851","0.007","9.929","0.003","16.292","0.008","90","","131.487","0.002","90","","2769","1.8","110","2","110","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","PNPRh(C2F4)","PNPRh(C2F4)","","- C28 H40 F4 N P2 Rh -","- C28 H40 F4 N P2 Rh -","- C112 H160 F16 N4 P8 Rh4 -","4","0.5","","Pell, Christopher J.; Zhu, Yanjun; Huacuja, Rafael; Herbert, David E.; Hughes, Russell P.; Ozerov, Oleg V.","Fluorocarbene, fluoroolefin, and fluorocarbyne complexes of Rh","Chem. Sci.","2017","8","4","3178","","10.1039/C6SC05391B","","","0.71073","MoKα","","0.0327","0.0293","","","0.0836","0.0862","","","","","","1.045","","","","has coordinates","195007","2020-10-21","18:00:00",""
"1545281","16.693","0.006","16.565","0.006","9.888","0.004","90","","90","","90","","2734.2","1.8","110","2","110","2","","","","","","","","6","P n a 21","P 2c -2n","33","none(PNP)Rh=CF2","(PNP)Rh=CF2","","- C27 H40 F2 N P2 Rh -","- C27 H40 F2 N P2 Rh -","- C108 H160 F8 N4 P8 Rh4 -","4","1","","Pell, Christopher J.; Zhu, Yanjun; Huacuja, Rafael; Herbert, David E.; Hughes, Russell P.; Ozerov, Oleg V.","Fluorocarbene, fluoroolefin, and fluorocarbyne complexes of Rh","Chem. Sci.","2017","8","4","3178","","10.1039/C6SC05391B","","","0.71073","MoKα","","0.053","0.0357","","","0.0751","0.0828","","","","","","1.062","","","","has coordinates","195007","2020-10-21","18:00:00",""
"1545282","20.427","0.005","19.756","0.005","11.606","0.003","90","","90","","90","","4684","2","110","2","110","2","","","","","","","","8","P n a 21","P 2c -2n","33","[(PNP)RhCF][CHB11Cl11]","[(PNP)RhCF][CHB11Cl11]","","- C28 H41 B11 Cl11 F N P2 Rh -","- C28 H41 B11 Cl11 F N P2 Rh -","- C112 H164 B44 Cl44 F4 N4 P8 Rh4 -","4","1","","Pell, Christopher J.; Zhu, Yanjun; Huacuja, Rafael; Herbert, David E.; Hughes, Russell P.; Ozerov, Oleg V.","Fluorocarbene, fluoroolefin, and fluorocarbyne complexes of Rh","Chem. Sci.","2017","8","4","3178","","10.1039/C6SC05391B","","","0.71073","MoKα","","0.0683","0.059","","","0.1451","0.1511","","","","","","1.075","","","","has coordinates","195007","2020-10-21","18:00:00",""
"1545283","28.835","0.008","6.5931","0.0018","9.909","0.003","90","","105.373","0.006","90","","1816.4","0.9","100","2","100","2","","","","","","","","3","C 1 2 1","C 2y","5","","","","- C15 H18 O11 -","- C15 H18 O11 -","- C60 H72 O44 -","4","1","","Su, Lu; Khan, Sarosh; Fan, Jingwei; Lin, Yen-Nan; Wang, Hai; Gustafson, Tiffany P.; Zhang, Fuwu; Wooley, Karen L.","Functional sugar-based polymers and nanostructures comprised of degradable poly(d-glucose carbonate)s","Polym. Chem.","2017","8","10","1699","","10.1039/C6PY01978A","","","0.71073","MoKα","","0.0608","0.0524","","","0.1502","0.1586","","","","","","1.068","","","","has coordinates","195189","2020-10-21","18:00:00",""
"1545284","10.7185","0.0005","21.9851","0.0011","12.7235","0.0007","90","","92.196","0.002","90","","2996.1","0.3","150","2","150","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","Bis( 2-1,3-diethyl-2-thiobarbiturato O,O')-bis(1,3-diethyl-2-thiobarbiturato O)- tetra(butan-1-ol)-di-cobalt(II)","","- C48 H84 Co2 N8 O12 S4 -","- C48 H84 Co2 N8 O12 S4 -","- C96 H168 Co4 N16 O24 S8 -","2","0.5","","N.N. Golovnev; M.S. Molokeev; A.I. Smolentsev; M.K. Lesnikov","Structure of Tetrakis((1,3-Diethyl-2-Thiobarbiturato)(Butanol-1))dicobalt(II)","Russian Journal of Coordination Chemistry","2017","43","2","82","85","10.7868/S0132344X17010030","","","0.71073","MoKα","","0.1061","0.0948","","","0.2119","0.2158","","","","","","1.08","","","","has coordinates,has disorder","192229","2020-10-21","18:00:00",""
"1545285","8.75219","0.00016","11.3668","0.0002","19.708","0.0004","90","","90","","90","","1960.64","0.06","290.47","0.1","290.47","0.1","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C25 H21 N O2 -","- C25 H21 N O2 -","- C100 H84 N4 O8 -","4","1","","Li, Xiao-Yun; Yuan, Wen-Qiang; Tang, Sheng; Huang, Yi-Wei; Xue, Jia-Hui; Fu, Li Na; Guo, Qi-Xiang","Chiral Calcium Phosphate Catalyzed Asymmetric Alkenylation Reaction of Arylglyoxals with 3-Vinylindoles.","Organic letters","2017","19","5","1120","1123","10.1021/acs.orglett.7b00143","","x-ray","1.54184","CuKα","","0.0462","0.0422","","","0.1166","0.1203","","","","","","1.039","","","","has coordinates","193632","2020-10-21","18:00:00",""
"1545286","8.803","0.004","9.88","0.004","13.538","0.006","73.731","0.009","73.897","0.011","69.965","0.009","1040.2","0.8","298","2","298","2","","","","","","","","5","P -1","-P 1","2","","","","- C25 H20 Br N O2 -","- C25 H20 Br N O2 -","- C50 H40 Br2 N2 O4 -","2","1","","Li, Xiao-Yun; Yuan, Wen-Qiang; Tang, Sheng; Huang, Yi-Wei; Xue, Jia-Hui; Fu, Li Na; Guo, Qi-Xiang","Chiral Calcium Phosphate Catalyzed Asymmetric Alkenylation Reaction of Arylglyoxals with 3-Vinylindoles.","Organic letters","2017","19","5","1120","1123","10.1021/acs.orglett.7b00143","","","0.71073","MoKα","","0.0588","0.0447","","","0.1472","0.1848","","","","","","1.01","","","","has coordinates","193632","2020-10-21","18:00:00",""
"1545287","12.2247","0.0006","12.3904","0.0005","15.0274","0.0007","106.67","0.004","96.765","0.004","118.889","0.003","1817.8","0.18","133","2","133","2","","","","","","","","6","P -1","-P 1","2","","","","- C56 H94 Cl4 Cu4 N10 O24 -","- C56 H94 Cl4 Cu4 N10 O24 -","- C56 H94 Cl4 Cu4 N10 O24 -","1","0.5","","Goswami, V. E.; Walli, A.; Förster, M; Dechert, S.; Demeshko, S.; Holthausen, M. C.; Meyer, F.","Acid/base triggered interconversion of μ-η(2):η(2)-peroxido and bis(μ-oxido) dicopper intermediates capped by proton-responsive ligands.","Chemical science","2017","8","4","3031","3037","10.1039/c6sc04820j","","","0.71073","MoKα","","0.049","0.0339","","","0.0758","0.0799","","","","","","0.953","","","","has coordinates,has disorder","196339","2020-10-21","18:00:00",""
"1545288","10.9869","0.0006","18.6852","0.001","13.1285","0.0007","90","","108.876","0.004","90","","2550.2","0.2","133","2","133","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C40 H71 Cl2 Cu2 N5 O17 -","- C40 H71 Cl2 Cu2 N5 O17 -","- C80 H142 Cl4 Cu4 N10 O34 -","2","0.5","","Goswami, V. E.; Walli, A.; Förster, M; Dechert, S.; Demeshko, S.; Holthausen, M. C.; Meyer, F.","Acid/base triggered interconversion of μ-η(2):η(2)-peroxido and bis(μ-oxido) dicopper intermediates capped by proton-responsive ligands.","Chemical science","2017","8","4","3031","3037","10.1039/c6sc04820j","","","0.71073","MoKα","","0.0704","0.0566","","","0.1478","0.156","","","","","","1.074","","","","has coordinates,has disorder","196339","2020-10-21","18:00:00",""
"1545289","16.6993","0.0005","15.6606","0.0005","17.7512","0.0006","90","","92.035","0.002","90","","4639.4","0.3","133","2","133","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C36 H64 Cl2 Cu2 N4 O17 -","- C36 H64 Cl2 Cu2 N4 O17 -","- C144 H256 Cl8 Cu8 N16 O68 -","4","1","","Goswami, V. E.; Walli, A.; Förster, M; Dechert, S.; Demeshko, S.; Holthausen, M. C.; Meyer, F.","Acid/base triggered interconversion of μ-η(2):η(2)-peroxido and bis(μ-oxido) dicopper intermediates capped by proton-responsive ligands.","Chemical science","2017","8","4","3031","3037","10.1039/c6sc04820j","","","0.71073","MoKα","","0.0993","0.0669","","","0.147","0.1623","","","","","","1.055","","","","has coordinates,has disorder","196339","2020-10-21","18:00:00",""
"1545290","14.5909","0.0004","12.6902","0.0003","20.135","0.0006","90","","90","","90","","3728.23","0.17","133","2","133","2","","","","","","","","5","P n n a","-P 2a 2bc","52","","","","- C34 H58 Cu2 N4 O8 -","- C34 H58 Cu2 N4 O8 -","- C136 H232 Cu8 N16 O32 -","4","0.5","","Goswami, V. E.; Walli, A.; Förster, M; Dechert, S.; Demeshko, S.; Holthausen, M. C.; Meyer, F.","Acid/base triggered interconversion of μ-η(2):η(2)-peroxido and bis(μ-oxido) dicopper intermediates capped by proton-responsive ligands.","Chemical science","2017","8","4","3031","3037","10.1039/c6sc04820j","","","0.71073","MoKα","","0.0462","0.0434","","","0.0924","0.0938","","","","","","1.192","","","","has coordinates,has disorder","196339","2020-10-21","18:00:00",""
"1545291","9.5488","0.0004","11.0676","0.0003","18.7942","0.0007","90","","101.996","0.003","90","","1942.84","0.12","133","2","133","2","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C28 H46 Cu2 F6 N4 O12 S2 -","- C28 H46 Cu2 F6 N4 O12 S2 -","- C56 H92 Cu4 F12 N8 O24 S4 -","2","0.5","","Goswami, V. E.; Walli, A.; Förster, M; Dechert, S.; Demeshko, S.; Holthausen, M. C.; Meyer, F.","Acid/base triggered interconversion of μ-η(2):η(2)-peroxido and bis(μ-oxido) dicopper intermediates capped by proton-responsive ligands.","Chemical science","2017","8","4","3031","3037","10.1039/c6sc04820j","","","0.71073","MoKα","","0.0387","0.0321","","","0.08","0.0824","","","","","","1.089","","","","has coordinates","196339","2020-10-21","18:00:00",""
"1545292","22.7887","0.0018","27.962","0.002","33.377","0.003","69.6918","0.0007","88.7509","0.0008","84.346","0.0008","19848","3","100","2","100.15","","","","","","","","","9","P -1","-P 1","2","","","","- C290 H255 Ag24 Fe6 Mo5 N O20 P12 S12 -","- C290 H255 Ag24 Fe6 Mo5 N O20 P12 S12 -","- C580 H510 Ag48 Fe12 Mo10 N2 O40 P24 S24 -","2","1","","Li, Xiao-Yu; Wang, Zhi; Su, Hai-Feng; Feng, Sheng; Kurmoo, Mohamedally; Tung, Chen-Ho; Sun, Di; Zheng, Lan-Sun","Anion-templated nanosized silver clusters protected by mixed thiolate and diphosphine.","Nanoscale","2017","9","10","3601","3608","10.1039/c6nr09632h","","","0.71073","MoKα","","0.1181","0.0701","","","0.1806","0.2048","","","","","","0.973","","","","has coordinates","195146","2020-10-21","18:00:00",""
"1545293","12.409","0.005","14.149","0.005","12.409","0.005","90","","117.15","","90","","1938.6","1.3","298","2","298","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C24 H15 Cl O3 S -","- C24 H15 Cl O3 S -","- C96 H60 Cl4 O12 S4 -","4","1","","Dalal, Aarti; Khanna, Radhika; Kumar, Parvin; Kamboj, Ramesh","Photo-reorganization of 3-alkoxy-6-chloro-2-(benzo[b]thiophen-2-yl)-4H-chromen-4-ones: A Green and Convenient Synthesis of angular pentacyclics","Photochem. Photobiol. Sci.","2017","","","","","10.1039/C6PP00476H","","","0.71073","MoKα","","0.2719","0.0695","","","0.1193","0.163","","","","","","0.84","","","","has coordinates","192267","2020-10-21","18:00:00",""
"1545294","19.6602","0.0015","14.7796","0.0012","26.125","0.0019","90","","91.529","0.004","90","","7588.4","1","273","2","273","2","","","","","","","","3","P 1 21 1","P 2yb","4","","","","- C25 H34 O7.833333 -","- C25 H34 O7.83333 -","- C300 H408 O94 -","12","6","","Kong, Fan-Dong; Ma, Qing-Yun; Huang, Sheng-Zhuo; Wang, Pei; Wang, Jun-Feng; Zhou, Li-Man; Yuan, Jing-Zhe; Dai, Hao-Fu; Zhao, You-Xing","Chrodrimanins K-N and Related Meroterpenoids from the Fungus Penicillium sp. SCS-KFD09 Isolated from a Marine Worm, Sipunculus nudus.","Journal of natural products","2017","80","4","1039","1047","10.1021/acs.jnatprod.6b01061","","","1.54178","CuKα","","0.1573","0.0988","","","0.2565","0.3084","","","","","","1.019","","","","has coordinates","214153","2020-10-21","18:00:00",""
"1545295","11.144","0.008","16.201","0.012","12.443","0.01","90","","90","","90","","2247","3","296","2","296.15","","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C25 H36 O7 -","- C25 H36 O7 -","- C100 H144 O28 -","4","1","","Kong, Fan-Dong; Ma, Qing-Yun; Huang, Sheng-Zhuo; Wang, Pei; Wang, Jun-Feng; Zhou, Li-Man; Yuan, Jing-Zhe; Dai, Hao-Fu; Zhao, You-Xing","Chrodrimanins K-N and Related Meroterpenoids from the Fungus Penicillium sp. SCS-KFD09 Isolated from a Marine Worm, Sipunculus nudus.","Journal of natural products","2017","80","4","1039","1047","10.1021/acs.jnatprod.6b01061","","","0.71073","MoKα","","0.2116","0.0695","","","0.1364","0.1879","","","","","","0.93","","","","has coordinates","196138","2020-10-21","18:00:00",""
"1545296","15.2749","0.0018","15.1875","0.0017","10.1806","0.0012","90","","90","","90","","2361.8","0.5","273","2","273","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C25 H31 Cl O6 -","- C25 H31 Cl O6 -","- C100 H124 Cl4 O24 -","4","1","","Kong, Fan-Dong; Ma, Qing-Yun; Huang, Sheng-Zhuo; Wang, Pei; Wang, Jun-Feng; Zhou, Li-Man; Yuan, Jing-Zhe; Dai, Hao-Fu; Zhao, You-Xing","Chrodrimanins K-N and Related Meroterpenoids from the Fungus Penicillium sp. SCS-KFD09 Isolated from a Marine Worm, Sipunculus nudus.","Journal of natural products","2017","80","4","1039","1047","10.1021/acs.jnatprod.6b01061","","","1.54178","CuKα","","0.079","0.0649","","","0.142","0.1526","","","","","","1.058","","","","has coordinates","196138","2020-10-21","18:00:00",""
"1545297","10.9888","0.0004","12.7811","0.0004","15.604","0.0005","90","","90","","90","","2191.57","0.13","273","2","273.15","","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C25 H30 O7 -","- C25 H30 O7 -","- C100 H120 O28 -","4","1","","Kong, Fan-Dong; Ma, Qing-Yun; Huang, Sheng-Zhuo; Wang, Pei; Wang, Jun-Feng; Zhou, Li-Man; Yuan, Jing-Zhe; Dai, Hao-Fu; Zhao, You-Xing","Chrodrimanins K-N and Related Meroterpenoids from the Fungus Penicillium sp. SCS-KFD09 Isolated from a Marine Worm, Sipunculus nudus.","Journal of natural products","2017","80","4","1039","1047","10.1021/acs.jnatprod.6b01061","","","1.54178","CuKα","","0.045","0.0415","","","0.1028","0.1052","","","","","","1.055","","","","has coordinates","196138","2020-10-21","18:00:00",""
"1545298","9.8667","0.0009","12.317","0.0011","17.626","0.0015","90","","100.785","0.001","90","","2104.2","0.3","100","2","100","2","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C20 H17 Cl2 Co N4 O P -","- C20 H17 Cl2 Co N4 O P -","- C80 H68 Cl8 Co4 N16 O4 P4 -","4","1","","Chen, Huafeng; Pan, Weijing; Huang, Kuo-Wei; Zhang, Xuequan; Gong, Dirong","Controlled polymerization of isoprene promoted by a type of hemilabile XPN3 (X = O, S) ligand supported cobalt(ii) complexes: the role of a hemilabile donor on the level of control","Polym. Chem.","2017","8","11","1805","","10.1039/C7PY00252A","","","0.71073","MoKα","","0.0312","0.0258","","","0.0662","0.0686","","","","","","1.084","","","","has coordinates","195192","2020-10-21","18:00:00",""
"1545299","7.881","0.002","8.61","0.002","10.582","0.003","101.612","0.003","110.925","0.002","103.559","0.002","619","0.3","100","2","100","2","","","","","","","","7","P 1","P 1","1","","","","- C23 H24 Cl2 Co N5 O2 P -","- C23 H24 Cl2 Co N5 O2 P -","- C23 H24 Cl2 Co N5 O2 P -","1","1","","Chen, Huafeng; Pan, Weijing; Huang, Kuo-Wei; Zhang, Xuequan; Gong, Dirong","Controlled polymerization of isoprene promoted by a type of hemilabile XPN3 (X = O, S) ligand supported cobalt(ii) complexes: the role of a hemilabile donor on the level of control","Polym. Chem.","2017","8","11","1805","","10.1039/C7PY00252A","","","0.71073","MoKα","","0.0315","0.0309","","","0.082","0.0822","","","","","","1.093","","","","has coordinates","195192","2020-10-21","18:00:00",""
"1545300","9.465","0.001","15.709","0.0016","16.2919","0.0016","90","","106.147","0.002","90","","2326.8","0.4","173","","173","","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C44 H42 Cl4 Co2 N8 P2 S2 -","- C44 H42 Cl4 Co2 N8 P2 S2 -","- C88 H84 Cl8 Co4 N16 P4 S4 -","2","0.5","","Chen, Huafeng; Pan, Weijing; Huang, Kuo-Wei; Zhang, Xuequan; Gong, Dirong","Controlled polymerization of isoprene promoted by a type of hemilabile XPN3 (X = O, S) ligand supported cobalt(ii) complexes: the role of a hemilabile donor on the level of control","Polym. Chem.","2017","8","11","1805","","10.1039/C7PY00252A","","","0.71073","MoKα","","0.072","0.0412","","","0.0829","0.0931","","","","","","0.995","","","","has coordinates","195192","2020-10-21","18:00:00",""
"1545301","15.231","0.002","15.231","","20.271","0.003","90","","90","","90","","4702.5","0.9","200","2","200","2","","","","","","","","7","P 21 21 21","P 2ac 2ab","19","","","","- C48 H52 Cl4 Co2 N8 O P2 -","- C48 H51 Cl4 Co2 N8 O P2 -","- C192 H204 Cl16 Co8 N32 O4 P8 -","4","1","","Chen, Huafeng; Pan, Weijing; Huang, Kuo-Wei; Zhang, Xuequan; Gong, Dirong","Controlled polymerization of isoprene promoted by a type of hemilabile XPN3 (X = O, S) ligand supported cobalt(ii) complexes: the role of a hemilabile donor on the level of control","Polym. Chem.","2017","8","11","1805","","10.1039/C7PY00252A","","","0.71073","MoKα","","0.057","0.045","","","0.111","0.1213","","","","","","1.033","","","","has coordinates","195192","2020-10-21","18:00:00",""
"1545302","2.9","","2.9","","4.88","","90","","90","","120","","35.542","","","","","","","","","","","","","1","P 63/m m c","-P 6c 2c","194","Hexagonal Gold - Au hcp","","","- Au -","- Au -","- Au2 -","2","0.0833333","","Jany, B. R.; Gauquelin, N.; Willhammar, T.; Nikiel, M.; van den Bos, K. H. W.; Janas, A.; Szajna, K.; Verbeeck, J.; Van Aert, S.; Van Tendeloo, G.; Krok, F.","Controlled growth of hexagonal gold nanostructures during thermally induced self-assembling on Ge(001) surface","Scientific Reports","2017","7","","42420","","10.1038/srep42420","powder diffraction","","","","","","","","","","","","","","","","","","","","has coordinates","194004","2020-10-21","18:00:00",""
"1545303","12.17","0.006","11.066","0.006","8.455","0.004","90","","109.476","0.01","90","","1073.5","0.9","566","2","566","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C12 H16 O3 -","- C12 H16 O3 -","- C48 H64 O12 -","4","1","","Tao, Cheng; Zhang, Jing; Chen, Xiaoming; Wang, Huifei; Li, Yun; Cheng, Bin; Zhai, Hongbin","Formal Synthesis of (±)-Aplykurodinone-1 through a Hetero-Pauson-Khand Cycloaddition Approach.","Organic letters","2017","19","5","1056","1059","10.1021/acs.orglett.7b00068","","","0.71073","MoKα","","0.0973","0.0866","","","0.2872","0.3137","","","","","","1.03","","","","has coordinates","211418","2020-10-21","18:00:00",""
"1545304","8.502","0.002","25.02","0.005","32.864","0.007","90","","90","","90","","6991","3","293","2","293","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C20 H28 N0 O3 -","- C20 H28 O3 -","- C320 H448 O48 -","16","4","","Zhang, Min; Liu, Jimei; Chen, Ridao; Zhao, Jinlian; Xie, Kebo; Chen, Dawei; Feng, Keping; Dai, Jungui","Two Furanharzianones with 4/7/5/6/5 Ring System from Microbial Transformation of Harzianone.","Organic letters","2017","19","5","1168","1171","10.1021/acs.orglett.7b00204","","","1.54187","CuKα","","0.1396","0.0955","","","0.2228","0.2496","","","","","","0.997","","","","has coordinates","193630","2020-10-21","18:00:00",""
"1545305","9.2595","0.0014","9.9204","0.0015","10.1731","0.0015","64.259","0.004","72.322","0.005","64.093","0.004","749.6","0.2","100","2","100","2","","","","","","","","4","P -1","-P 1","2","","(<i>Z</i>)-4,6-Dichloro-<i>N</i>-(4-chlorophenyl)quinoline-3-carbimidoyl chloride","","- C16 H8 Cl4 N2 -","- C16 H8 Cl4 N2 -","- C32 H16 Cl8 N4 -","2","1","BT4044","Weil, Matthias; Siebert, David Chan Bodin; Schnürch, Michael","(<i>Z</i>)-4,6-Dichloro-<i>N</i>-(4-chlorophenyl)quinoline-3-carbimidoyl chloride","IUCrData","2017","2","2","x170274","","10.1107/S2414314617002747","","","0.71073","MoKα","","0.0315","0.0247","","","0.0649","0.0683","","","","","","1.038","","","","has coordinates,has Fobs","192432","2020-10-21","18:00:00",""
"1545306","13.8301","0.0006","19.717","0.0009","10.2121","0.0005","90","","109.642","0.001","90","","2622.7","0.2","150","","149.99","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","1,4-Dimethylpyridinium iodide","","- C7 H10 I N -","- C7 H10 I N -","- C84 H120 I12 N12 -","12","3","SU4130","Deschner, Joshua; Choczynski, Jack M.; Wong, Calvin Y.; Hayes, Kathleen L.; Crisci, Ralph R.; Lasher, Emily M.; Dragonette, Joseph; Cardenas, Allan Jay P.","1,4-Dimethylpyridinium iodide","IUCrData","2017","2","2","x170269","","10.1107/S2414314617002693","","","0.71073","MoKα","","0.0244","0.021","","","0.0461","0.0476","","","","","","1.142","","","","has coordinates,has Fobs","192433","2020-10-21","18:00:00",""
"1545307","5.514","0.0011","12.418","0.003","15.372","0.003","90","","90","","90","","1052.6","0.4","100","2","100","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","3-Hydroxy-2-[(4-hydroxybenzyl)azaniumyl]propanoate monohydrate","","- C10 H15 N O5 -","- C10 H15 N O5 -","- C40 H60 N4 O20 -","4","1","HB4124","Gao, Min; Lu, Li-Ping","3-Hydroxy-2-[(4-hydroxybenzyl)azaniumyl]propanoate monohydrate","IUCrData","2017","2","2","x170271","","10.1107/S2414314617002711","","","0.72","synchrotron","","0.037","0.0357","","","0.096","0.0972","","","","","","1.105","","","","has coordinates,has Fobs","192434","2020-10-21","18:00:00",""
"1545308","3.8091","0.0003","10.2616","0.0009","11.9768","0.0011","90","","96.165","0.003","90","","465.44","0.07","298","2","298","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","1,4-Bis(1<i>H</i>-1,2,4-triazol-1-yl)benzene","","- C10 H8 N6 -","- C10 H8 N6 -","- C20 H16 N12 -","2","0.5","HB4114","Du, Ran; Meng, Li; Lu, Li-Ping","1,4-Bis(1<i>H</i>-1,2,4-triazol-1-yl)benzene","IUCrData","2017","2","2","x170272","","10.1107/S2414314617002723","","","0.71073","MoKα","","0.0542","0.0431","","","0.1082","0.1144","","","","","","1.026","","","","has coordinates,has Fobs","192435","2020-10-21","18:00:00",""
"1545309","22.1604","0.0008","15.5985","0.0006","11.4109","0.0004","90","","120.944","0.001","90","","3383","0.2","100","2","100","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C38 H42 N6 O4 -","- C38 H42 N6 O4 -","- C152 H168 N24 O16 -","4","0.5","","Geng, Chang-An; Huang, Xiao-Yan; Ma, Yun-Bao; Hou, Bo; Li, Tian-Ze; Zhang, Xue-Mei; Chen, Ji-Jun","(±)-Uncarilins A and B, Dimeric Isoechinulin-Type Alkaloids from Uncaria rhynchophylla","Journal of Natural Products","2017","","","","","10.1021/acs.jnatprod.6b00938","","","1.54178","CuKα","","0.048","0.0459","","","0.1217","0.1252","","","","","","1.032","","","","has coordinates","192462","2020-10-21","18:00:00",""
"1545310","10.7266","0.0002","15.3359","0.0003","22.6051","0.0004","77.605","0.001","80.472","0.001","76.416","0.001","3504.26","0.11","100","2","100","2","","","","","","","","4","P -1","-P 1","2","","","","- C39 H44.5 N6.5 O4.5 -","- C39 H44.5 N6.5 O4.5 -","- C156 H178 N26 O18 -","4","2","","Geng, Chang-An; Huang, Xiao-Yan; Ma, Yun-Bao; Hou, Bo; Li, Tian-Ze; Zhang, Xue-Mei; Chen, Ji-Jun","(±)-Uncarilins A and B, Dimeric Isoechinulin-Type Alkaloids from Uncaria rhynchophylla","Journal of Natural Products","2017","","","","","10.1021/acs.jnatprod.6b00938","","","1.54178","CuKα","","0.0898","0.0835","","","0.229","0.2386","","","","","","0.979","","","","has coordinates,has disorder","217633","2020-10-21","18:00:00",""
"1545311","7.8452","0.0003","3.9073","0.0002","36.549","0.0015","90","","93.5525","0.0013","90","","1118.2","0.08","100","2","100","2","","","","","","","","3","P 1 21/n 1","-P 2yn","14","PDJXC1-44","","","- C15 H12 O3 -","- C15 H12 O3 -","- C60 H48 O12 -","4","1","","Chen, Xiao-Yang; Ozturk, Seyma; Sorensen, Erik J.","Synthesis of Fluorenones from Benzaldehydes and Aryl Iodides: Dual C-H Functionalizations Using a Transient Directing Group.","Organic letters","2017","19","5","1140","1143","10.1021/acs.orglett.7b00161","","","1.54178","CuKα","","0.0347","0.0321","","","0.0818","0.0844","","","","","","1.06","","","","has coordinates","193633","2020-10-21","18:00:00",""
"1545312","26.2758","0.0008","26.2758","0.0008","26.2758","0.0008","90","","90","","90","","18141.3","1","100","2","100","2","","","","","","","","7","P a -3","-P 2ac 2ab 3","205","Zr6O4(OH)4(bpydc)5.64(NiBr2)5.64","","","- C67.68 H33.84 Br11.28 N11.28 Ni5.64 O30.56 Zr6 -","- C67.68 H33.84 Br11.28 N11.28 Ni5.64 O30.56 Zr6 -","- C270.72 H135.36 Br45.12 N45.12 Ni22.56 O122.24 Zr24 -","4","0.166667","","Gonzalez, Miguel; Oktawiec, Julia; Long, Jeffrey R.","Ethylene Oligomerization in Metal‒Organic Frameworks Bearing Nickel(II) 2,2′-Bipyridine Complexes","Faraday Discuss.","2017","","","","","10.1039/C7FD00061H","","","0.8856","synchrotron","","0.0715","0.0651","","","0.2002","0.2046","","","","","","1.151","","","","has coordinates,has disorder","192476","2020-10-21","18:00:00",""
"1545313","14.3929","0.0006","17.8516","0.0008","26.7111","0.0011","90","","90","","90","","6863.1","0.5","293.15","","293.15","","","","","","","","","5","P n m a","-P 2ac 2n","62","","","","- C24 H20 N2 O16 Zn3 -","- C24 H20 N2 O16 Zn3 -","- C192 H160 N16 O128 Zn24 -","8","1","","Liu, YuShuang; Luo, Yu Hui; Li, Li; Zhang, Hong","An electron-transfer photochromic crystalline MOF accompanying photoswitchable luminescence in a host‒guest system","Photochem. Photobiol. Sci.","2017","","","","","10.1039/C7PP00002B","","","0.71073","MoKα","","0.0819","0.0535","","","0.1393","0.1558","","","","","","1.024","","","","has coordinates,has disorder","192479","2020-10-21","18:00:00",""
"1545316","13.0549","0.0013","6.8643","0.0007","15.8088","0.0015","90","","97.519","0.002","90","","1404.5","0.2","100","2","100","2","","","","","","","","5","P 1 2/c 1","-P 2yc","13","","","","- C14 H14 N2 O3 S2 -","- C14 H14 N2 O3 S2 -","- C56 H56 N8 O12 S8 -","4","1","","Zhou, Min; Ma, Hang-Ying; Liu, Zhi-Hua; Yang, Guang-Yu; Du, Gang; Ye, Yan-Qing; Li, Gan-Peng; Hu, Qiu-Fen","(+)-Meyeniins A-C, Novel Hexahydroimidazo[1,5-c]thiazole Derivatives from the Tubers of Lepidium meyenii: Complete Structural Elucidation by Biomimetic Synthesis and Racemic Crystallization.","Journal of agricultural and food chemistry","2017","","","","","10.1021/acs.jafc.6b05805","","","0.71073","MoKα","","0.0347","0.0299","","","0.08","0.0835","","","","","","1.085","","","","has coordinates","192644","2020-10-21","18:00:00",""
"1545317","6.0388","0.0002","20.9417","0.0008","9.9049","0.0004","90","","105.867","0.004","90","","1204.88","0.08","290","2","290","2","","","","","","","","3","P 1 21 1","P 2yb","4","","","","- C25 H38 O3 -","- C25 H38 O3 -","- C50 H76 O6 -","2","1","","Zhang, Ya-Long; Zhou, Xu-Wei; Wu, Lin; Wang, Xiao-Bing; Yang, Ming-Hua; Luo, Jun; Luo, Jian-Guang; Kong, Ling-Yi","Isolation, Structure Elucidation, and Absolute Configuration of Syncarpic Acid-Conjugated Terpenoids from Rhodomyrtus tomentosa.","Journal of natural products","2017","80","4","989","998","10.1021/acs.jnatprod.6b01005","","","1.54184","CuKα","","0.0418","0.039","","","0.1049","0.1095","","","","","","1.038","","","","has coordinates","196135","2020-10-21","18:00:00",""
"1545318","6.1236","0.0001","20.4801","0.0002","21.9533","0.0002","90","","90","","90","","2753.21","0.06","291","2","291","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C30 H42 O3 -","- C30 H42 O3 -","- C120 H168 O12 -","4","1","","Zhang, Ya-Long; Zhou, Xu-Wei; Wu, Lin; Wang, Xiao-Bing; Yang, Ming-Hua; Luo, Jun; Luo, Jian-Guang; Kong, Ling-Yi","Isolation, Structure Elucidation, and Absolute Configuration of Syncarpic Acid-Conjugated Terpenoids from Rhodomyrtus tomentosa.","Journal of natural products","2017","80","4","989","998","10.1021/acs.jnatprod.6b01005","","","1.54184","CuKα","","0.0438","0.0415","","","0.1234","0.1271","","","","","","1.05","","","","has coordinates","196135","2020-10-21","18:00:00",""
"1545319","5.96976","0.00019","5.96976","0.00019","5.96976","0.00019","90","","90","","90","","212.751","0.012","300.3","0.4","300","","","","","","","","","5","P m -3 m","-P 4 2 3","221","","","","- C H5 Br3 N2 Pb -","- C0.9984 H3.9936 Br3 N1.9968 Pb -","- C0.9984 H3.9936 Br3 N1.9968 Pb -","1","0.0208333","","Elbaz, Giselle A.; Straus, Daniel B.; Semonin, Octavi E.; Hull, Trevor D.; Paley, Daniel W.; Kim, Philip; Owen, Jonathan S.; Kagan, Cherie R.; Roy, Xavier","Unbalanced Hole and Electron Diffusion in Lead Bromide Perovskites.","Nano letters","2017","17","3","1727","1732","10.1021/acs.nanolett.6b05022","","x-ray","0.71073","MoKα","","0.0266","0.0213","","","0.0461","0.0537","","","","","","1.265","","","","has coordinates,has disorder","194863","2020-10-21","18:00:00",""
"1545320","5.9195","0.0001","5.9195","0.0001","5.9195","0.0001","90","","90","","90","","207.422","0.006","293.92","0.1","294","","","","","","","","","5","P m -3 m","-P 4 2 3","221","","","","- C H6 Br3 N Pb -","- C0.9984 H5.9904 Br3 N0.9984 Pb -","- C0.9984 H5.9904 Br3 N0.9984 Pb -","1","0.0208333","","Elbaz, Giselle A.; Straus, Daniel B.; Semonin, Octavi E.; Hull, Trevor D.; Paley, Daniel W.; Kim, Philip; Owen, Jonathan S.; Kagan, Cherie R.; Roy, Xavier","Unbalanced Hole and Electron Diffusion in Lead Bromide Perovskites.","Nano letters","2017","17","3","1727","1732","10.1021/acs.nanolett.6b05022","","x-ray","0.71073","MoKα","","0.029","0.0286","","","0.0669","0.0669","","","","","","1.22","","","","has coordinates,has disorder","194863","2020-10-21","18:00:00",""
"1545321","12.562","0.004","7.6332","0.0015","19.11","0.005","90","","107.74","0.009","90","","1745.3","0.8","98","","98","","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C21 H22 O2 -","- C21 H22 O2 -","- C84 H88 O8 -","4","1","","Marichev, Kostiantyn O.; Ramey, Justin T.; Arman, Hadi; Doyle, Michael P.","Highly Regio-, Diastereo-, and Enantioselective Rhodium-Catalyzed Intramolecular Cyclopropanation of (Z)-1,3-Dienyl Aryldiazoacetates.","Organic letters","2017","19","6","1306","1309","10.1021/acs.orglett.7b00119","","","0.71075","MoKα","","0.0583","0.0418","","","0.1125","0.1189","","","","","","1.057","","","","has coordinates","194875","2020-10-21","18:00:00",""
"1545322","7.4785","0.0004","10.0969","0.0005","11.6506","0.0006","72.828","0.005","89.259","0.004","77.332","0.004","818.79","0.08","98","","98","","","","","","","","","3","P -1","-P 1","2","","","","- C21 H20 O3 -","- C21 H20 O3 -","- C42 H40 O6 -","2","1","","Marichev, Kostiantyn O.; Ramey, Justin T.; Arman, Hadi; Doyle, Michael P.","Highly Regio-, Diastereo-, and Enantioselective Rhodium-Catalyzed Intramolecular Cyclopropanation of (Z)-1,3-Dienyl Aryldiazoacetates.","Organic letters","2017","19","6","1306","1309","10.1021/acs.orglett.7b00119","","x-ray","0.71073","MoKα","","0.0423","0.0392","","","0.1001","0.1029","","","","","","1.038","","","","has coordinates","194875","2020-10-21","18:00:00",""
"1545323","7.9588","0.0009","5.6834","0.0006","17.1239","0.0019","90","","90.062","0.002","90","","774.57","0.15","293","2","293","2","","","","","","","","3","P 1 21 1","P 2yb","4","","","","- C18 H18 O5 -","- C18 H18 O5 -","- C36 H36 O10 -","2","1","","Li, Guo-Tai; Li, Zhi-Ke; Gu, Qing; You, Shu-Li","Asymmetric Synthesis of 4-Aryl-3,4-dihydrocoumarins by N-Heterocyclic Carbene Catalyzed Annulation of Phenols with Enals.","Organic letters","2017","19","6","1318","1321","10.1021/acs.orglett.7b00088","","","0.71073","MoKα","","0.0334","0.0317","","","0.0888","0.0908","","","","","","0.999","","","","has coordinates","194876","2020-10-21","18:00:00",""
"1545324","8.71","0.006","16.465","0.009","9.372","0.005","90","","103.207","0.014","90","","1308.5","1.3","113","","113","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C15 H12 Cl N O2 -","- C15 H12 Cl N O2 -","- C60 H48 Cl4 N4 O8 -","4","1","","Yu, Yan-Min; Huang, Ya-Nan; Deng, Jun","Catalytic Asymmetric Chlorocyclization of 2-Vinylphenylcarbamates for Synthesis of 1,4-Dihydro-2H-3,1-benzoxazin-2-one Derivatives.","Organic letters","2017","19","5","1224","1227","10.1021/acs.orglett.7b00272","","","0.71073","MoKα","","0.066","0.0414","","","0.0918","0.0993","","","","","","1.044","","","","has coordinates","193631","2020-10-21","18:00:00",""
"1545325","14.658","0.006","7.843","0.003","14.692","0.006","90","","109.942","0.008","90","","1587.8","1.1","113","2","113","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C40 H39 N3 O2 -","- C40 H39 N3 O2 -","- C80 H78 N6 O4 -","2","1","","Yu, Yan-Min; Huang, Ya-Nan; Deng, Jun","Catalytic Asymmetric Chlorocyclization of 2-Vinylphenylcarbamates for Synthesis of 1,4-Dihydro-2H-3,1-benzoxazin-2-one Derivatives.","Organic letters","2017","19","5","1224","1227","10.1021/acs.orglett.7b00272","","","0.71073","MoKα","","0.082","0.0491","","","0.1014","0.12","","","","","","0.99","","","","has coordinates","193631","2020-10-21","18:00:00",""
"1545326","8.812","0.00014","9.83567","0.00018","11.24951","0.00019","90","","108.818","0.0018","90","","922.9","0.03","293","2","293","2","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C15 H20 Cl N2 O6 P -","- C15 H20 Cl N2 O6 P -","- C30 H40 Cl2 N4 O12 P2 -","2","1","","Du, Fei; Zhou, Jiao; Peng, Yungui","Asymmetric Reaction of α-Diazomethylphosphonates with α-Ketoesters To Access Optically Active α-Diazo-β-hydroxyphosphonate Derivatives.","Organic letters","2017","","","","","10.1021/acs.orglett.7b00128","","","1.54184","CuKα","","0.0307","0.0306","","","0.0868","0.0869","","","","","","1.073","","","","has coordinates","192671","2020-10-21","18:00:00",""
"1545327","8.7385","0.0001","8.77985","0.00012","65.4284","0.0006","90","","90","","90","","5019.84","0.1","100","0.1","100","0.1","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C30.5 H30 N2 O4.5 -","- C30.5 H30 N2 O4.5 -","- C244 H240 N16 O36 -","8","2","","Rees, Matthew; Simpkins, Nigel S.; Male, Louise","An Asymmetric Organocatalysis Approach to the Prenylated Alkaloid Family.","Organic letters","2017","19","6","1338","1341","10.1021/acs.orglett.7b00193","","x-ray","1.54184","CuKα","","0.0484","0.0479","","","0.1081","0.1085","","","","","","1.102","","","","has coordinates,has disorder","194880","2020-10-21","18:00:00",""
"1545328","9.1592","0.0018","6.7731","0.0012","16.695","0.003","90","","100.414","0.009","90","","1018.6","0.3","273","","273","","","","","","","","","4","P 1 21/m 1","-P 2yb","11","","","","- C25 H25 N O2 -","- C25 H25 N O2 -","- C50 H50 N2 O4 -","2","0.5","","Kaida, Hiroyuki; Goya, Tsuyoshi; Nishii, Yuji; Hirano, Koji; Satoh, Tetsuya; Miura, Masahiro","Construction of Bisbenzofuro[2,3-b:3',2'-e]pyridines by Palladium-Catalyzed Double Intramolecular Oxidative C-H/C-H Coupling.","Organic letters","2017","19","5","1236","1239","10.1021/acs.orglett.7b00323","","","0.71075","MoKα","","0.073","0.0567","","","0.1337","0.1447","","","","","","1.074","","","","has coordinates","193635","2020-10-21","18:00:00",""
"1545329","7.7605","0.0012","19.327","0.003","9.6643","0.0016","90","","101.584","0.003","90","","1420","0.4","298","2","298","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C16 H13 Cl N2 O2 -","- C16 H13 Cl N2 O2 -","- C64 H52 Cl4 N8 O8 -","4","1","","Singh, Shailendra K.; Chandna, Nisha; Jain, Nidhi","N-Mannich Bases of Aromatic Heterocyclic Amides: Synthesis via Copper-Catalyzed Aerobic Cross-Dehydrogenative Coupling under Ambient Conditions","Organic Letters","2017","","","","","10.1021/acs.orglett.7b00125","","","0.71073","MoKα","","0.0546","0.0405","","","0.0985","0.1057","","","","","","1.039","","","","has coordinates","192674","2020-10-21","18:00:00",""
"1545330","17.0239","0.0005","9.347","0.0003","25.566","0.0006","90","","105.901","0.002","90","","3912.5","0.2","170","","170","","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C18 H15 Cl3 I N O2 -","- C18 H15 Cl3 I N O2 -","- C144 H120 Cl24 I8 N8 O16 -","8","1","","Wu, Xiaowei; Wang, Bao; Zhou, Yu; Liu, Hong","Propargyl Alcohols as One-Carbon Synthons: Redox-Neutral Rhodium(III)-Catalyzed C-H Bond Activation for the Synthesis of Isoindolinones Bearing a Quaternary Carbon.","Organic letters","2017","19","6","1294","1297","10.1021/acs.orglett.7b00089","","","0.71073","MoKα","","0.035","0.03","","","0.1093","0.1124","","","","","","1.123","","","","has coordinates","194881","2020-10-21","18:00:00",""
"1545331","8.7367","0.0014","10.0971","0.0016","11.6822","0.0019","106.933","0.002","90.765","0.002","108.096","0.002","931","0.3","297","2","297","2","","","","","","","","3","P -1","-P 1","2","","","","- C28 H14 S2 -","- C28 H14 S2 -","- C56 H28 S4 -","2","1","","Zhang, Shiqian; Liu, Zhiqiang; Fang, Qi","Synthesis, Structures, and Optoelectronic Properties of Pyrene-Fused Thioxanthenes.","Organic letters","2017","19","6","1382","1385","10.1021/acs.orglett.7b00276","","","0.71073","MoKα","","0.1091","0.0486","","","0.0935","0.1083","","","","","","0.906","","","","has coordinates","194884","2020-10-21","18:00:00",""
"1545332","11.4244","0.0008","12.1615","0.0008","15.7616","0.0011","90","","106.018","0.001","90","","2104.9","0.3","300","2","300","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C29 H18 S2 -","- C29 H18 S2 -","- C116 H72 S8 -","4","1","","Zhang, Shiqian; Liu, Zhiqiang; Fang, Qi","Synthesis, Structures, and Optoelectronic Properties of Pyrene-Fused Thioxanthenes.","Organic letters","2017","19","6","1382","1385","10.1021/acs.orglett.7b00276","","","0.71073","MoKα","","0.0928","0.0512","","","0.1407","0.1557","","","","","","0.981","","","","has coordinates","194884","2020-10-21","18:00:00",""
"1545333","12.2546","0.0002","15.9304","0.0002","12.3845","0.0002","90","","106.387","0.001","90","","2319.5","0.06","295","2","295","2","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","","","- C30 H22 S2 -","- C30 H22 S2 -","- C120 H88 S8 -","4","1","","Zhang, Shiqian; Liu, Zhiqiang; Fang, Qi","Synthesis, Structures, and Optoelectronic Properties of Pyrene-Fused Thioxanthenes.","Organic letters","2017","19","6","1382","1385","10.1021/acs.orglett.7b00276","","","0.71073","MoKα","","0.0781","0.0403","","","0.1042","0.115","","","","","","0.947","","","","has coordinates,has disorder","194884","2020-10-21","18:00:00",""
"1545334","9.0815","0.0007","9.8004","0.0007","25.2369","0.0018","90","","93.118","0.001","90","","2242.8","0.3","296","2","296","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C30 H22 S2 -","- C30 H22 S2 -","- C120 H88 S8 -","4","1","","Zhang, Shiqian; Liu, Zhiqiang; Fang, Qi","Synthesis, Structures, and Optoelectronic Properties of Pyrene-Fused Thioxanthenes.","Organic letters","2017","19","6","1382","1385","10.1021/acs.orglett.7b00276","","","0.71073","MoKα","","0.054","0.0448","","","0.1217","0.1307","","","","","","1.034","","","","has coordinates","194884","2020-10-21","18:00:00",""
"1545335","12.0014","0.0002","14.5055","0.0002","12.1322","0.0002","90","","114.591","0.001","90","","1920.49","0.05","295.65","0.02","295.65","0.02","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","","","- C28 H14 S2 -","- C28 H14 S2 -","- C112 H56 S8 -","4","1","","Zhang, Shiqian; Liu, Zhiqiang; Fang, Qi","Synthesis, Structures, and Optoelectronic Properties of Pyrene-Fused Thioxanthenes.","Organic letters","2017","19","6","1382","1385","10.1021/acs.orglett.7b00276","","","0.71073","MoKα","","0.0938","0.0499","","","0.1388","0.152","","","","","","0.913","","","","has coordinates","194884","2020-10-21","18:00:00",""
"1545336","10.2837","0.0002","14.8777","0.0002","10.9847","0.0002","90","","102.391","0.001","90","","1641.49","0.05","300","2","300","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C23 H16 S -","- C23 H16 S -","- C92 H64 S4 -","4","1","","Zhang, Shiqian; Liu, Zhiqiang; Fang, Qi","Synthesis, Structures, and Optoelectronic Properties of Pyrene-Fused Thioxanthenes.","Organic letters","2017","19","6","1382","1385","10.1021/acs.orglett.7b00276","","","0.71073","MoKα","","0.1325","0.0598","","","0.1711","0.1932","","","","","","0.853","","","","has coordinates","194884","2020-10-21","18:00:00",""
"1545337","8.32","0.003","3.9035","0.0014","21.515","0.008","90","","91.08","0.005","90","","698.6","0.4","298","2","298","2","","","","","","","","3","P 1 21 1","P 2yb","4","","","","- C22 H12 S -","- C22 H12 S -","- C44 H24 S2 -","2","1","","Zhang, Shiqian; Liu, Zhiqiang; Fang, Qi","Synthesis, Structures, and Optoelectronic Properties of Pyrene-Fused Thioxanthenes.","Organic letters","2017","19","6","1382","1385","10.1021/acs.orglett.7b00276","","","0.71073","MoKα","","0.0779","0.0641","","","0.1798","0.1911","","","","","","1.061","","","","has coordinates","194884","2020-10-21","18:00:00",""
"1545338","8.6742","0.0003","8.6742","0.0003","25.3428","0.001","90","","90","","90","","1906.84","0.12","122","","122","","","","","","","","","7","P 4/m c c","-P 4 2c","124","","","","- C24 H44 Ce N O8 Pt2 S8 -","- C24 H44 Ce N O8 Pt2 S8 -","- C48 H88 Ce2 N2 O16 Pt4 S16 -","2","0.125","","Sørensen, Mikkel A.; Weihe, Høgni; Vinum, Morten G.; Mortensen, Jesper S.; Doerrer, Linda H.; Bendix, Jesper","Imposing high-symmetry and tuneable geometry on lanthanide centres with chelating Pt and Pd metalloligands","Chem. Sci.","2017","8","5","3566","","10.1039/C7SC00135E","","","0.71073","MoKα","","0.03","0.0175","","","0.0321","0.0362","","","","","","1.115","","","","has coordinates,has disorder","196331","2020-10-21","18:00:00",""
"1545339","8.5991","0.0003","8.5991","0.0003","25.4694","0.0009","90","","90","","90","","1883.32","0.11","122","","122","","","","","","","","","7","P 4/m c c","-P 4 2c","124","","","","- C24 H44 Ho N O8 Pt2 S8 -","- C24 H44 Ho N O8 Pt2 S8 -","- C48 H88 Ho2 N2 O16 Pt4 S16 -","2","0.125","","Sørensen, Mikkel A.; Weihe, Høgni; Vinum, Morten G.; Mortensen, Jesper S.; Doerrer, Linda H.; Bendix, Jesper","Imposing high-symmetry and tuneable geometry on lanthanide centres with chelating Pt and Pd metalloligands","Chem. Sci.","2017","8","5","3566","","10.1039/C7SC00135E","","","0.71073","MoKα","","0.0262","0.017","","","0.0284","0.0306","","","","","","1.1019","","","","has coordinates,has disorder","196331","2020-10-21","18:00:00",""
"1545340","8.6867","0.0004","8.6867","0.0004","25.3813","0.0015","90","","90","","90","","1915.24","0.17","122","","122","","","","","","","","","7","P 4/m c c","-P 4 2c","124","","","","- C24 H44 La N O8 Pt2 S8 -","- C24 H44 La N O8 Pt2 S8 -","- C48 H88 La2 N2 O16 Pt4 S16 -","2","0.125","","Sørensen, Mikkel A.; Weihe, Høgni; Vinum, Morten G.; Mortensen, Jesper S.; Doerrer, Linda H.; Bendix, Jesper","Imposing high-symmetry and tuneable geometry on lanthanide centres with chelating Pt and Pd metalloligands","Chem. Sci.","2017","8","5","3566","","10.1039/C7SC00135E","","","0.71073","MoKα","","0.0466","0.0287","","","0.0489","0.0537","","","","","","1.1112","","","","has coordinates,has disorder","196331","2020-10-21","18:00:00",""
"1545341","8.5697","0.0003","8.5697","0.0003","25.5067","0.001","90","","90","","90","","1873.21","0.12","122","","122","","","","","","","","","7","P 4/m c c","-P 4 2c","124","","","","- C24 H44 Lu N O8 Pt2 S8 -","- C24 H44 Lu N O8 Pt2 S8 -","- C48 H88 Lu2 N2 O16 Pt4 S16 -","2","0.125","","Sørensen, Mikkel A.; Weihe, Høgni; Vinum, Morten G.; Mortensen, Jesper S.; Doerrer, Linda H.; Bendix, Jesper","Imposing high-symmetry and tuneable geometry on lanthanide centres with chelating Pt and Pd metalloligands","Chem. Sci.","2017","8","5","3566","","10.1039/C7SC00135E","","","0.71073","MoKα","","0.0243","0.0172","","","0.0365","0.0396","","","","","","1.1172","","","","has coordinates,has disorder","196331","2020-10-21","18:00:00",""
"1545342","8.6502","0.0003","8.6502","0.0003","25.3992","0.0011","90","","90","","90","","1900.52","0.12","122","","122","","","","","","","","","7","P 4/m c c","-P 4 2c","124","","","","- C24 H44 N Nd O8 Pt2 S8 -","- C24 H44 N Nd O8 Pt2 S8 -","- C48 H88 N2 Nd2 O16 Pt4 S16 -","2","0.125","","Sørensen, Mikkel A.; Weihe, Høgni; Vinum, Morten G.; Mortensen, Jesper S.; Doerrer, Linda H.; Bendix, Jesper","Imposing high-symmetry and tuneable geometry on lanthanide centres with chelating Pt and Pd metalloligands","Chem. Sci.","2017","8","5","3566","","10.1039/C7SC00135E","","","0.71073","MoKα","","0.0234","0.0166","","","0.0603","0.0671","","","","","","1.0324","","","","has coordinates,has disorder","196331","2020-10-21","18:00:00",""
"1545343","8.6615","0.0004","8.6615","0.0004","25.413","0.0014","90","","90","","90","","1906.52","0.16","122","","122","","","","","","","","","7","P 4/m c c","-P 4 2c","124","","","","- C24 H44 N O8 Pr Pt2 S8 -","- C24 H44 N O8 Pr Pt2 S8 -","- C48 H88 N2 O16 Pr2 Pt4 S16 -","2","0.125","","Sørensen, Mikkel A.; Weihe, Høgni; Vinum, Morten G.; Mortensen, Jesper S.; Doerrer, Linda H.; Bendix, Jesper","Imposing high-symmetry and tuneable geometry on lanthanide centres with chelating Pt and Pd metalloligands","Chem. Sci.","2017","8","5","3566","","10.1039/C7SC00135E","","","0.71073","MoKα","","0.0231","0.015","","","0.0303","0.0329","","","","","","1.0796","","","","has coordinates,has disorder","196331","2020-10-21","18:00:00",""
"1545344","8.6302","0.0003","8.6302","0.0003","25.4187","0.0009","90","","90","","90","","1893.19","0.11","122","","122","","","","","","","","","7","P 4/m c c","-P 4 2c","124","","","","- C24 H44 N O8 Pt2 S8 Sm -","- C24 H44 N O8 Pt2 S8 Sm -","- C48 H88 N2 O16 Pt4 S16 Sm2 -","2","0.125","","Sørensen, Mikkel A.; Weihe, Høgni; Vinum, Morten G.; Mortensen, Jesper S.; Doerrer, Linda H.; Bendix, Jesper","Imposing high-symmetry and tuneable geometry on lanthanide centres with chelating Pt and Pd metalloligands","Chem. Sci.","2017","8","5","3566","","10.1039/C7SC00135E","","","0.71073","MoKα","","0.0213","0.014","","","0.0292","0.0321","","","","","","1.0902","","","","has coordinates,has disorder","196331","2020-10-21","18:00:00",""
"1545345","8.6098","0.0011","8.6098","0.0011","25.515","0.004","90","","90","","90","","1891.4","0.5","122","","122","","","","","","","","","7","P 4/m c c","-P 4 2c","124","","","","- C24 H44 Dy N O8 Pt2 S8 -","- C24 H44.0001 Dy N O8 Pt2 S8 -","- C48 H88.0002 Dy2 N2 O16 Pt4 S16 -","2","0.125","","Sørensen, Mikkel A.; Weihe, Høgni; Vinum, Morten G.; Mortensen, Jesper S.; Doerrer, Linda H.; Bendix, Jesper","Imposing high-symmetry and tuneable geometry on lanthanide centres with chelating Pt and Pd metalloligands","Chem. Sci.","2017","8","5","3566","","10.1039/C7SC00135E","","","0.71073","MoKα","","0.0283","0.0182","","","0.0374","0.0409","","","","","","1.0728","","","","has coordinates,has disorder","196331","2020-10-21","18:00:00",""
"1545346","8.5844","0.0004","8.5844","0.0004","25.5043","0.0014","90","","90","","90","","1879.46","0.16","122","","122","","","","","","","","","7","P 4/m c c","-P 4 2c","124","","","","- C24 H44 N O8 Pt2 S8 Tm -","- C24 H44 N O8 Pt2 S8 Tm -","- C48 H88 N2 O16 Pt4 S16 Tm2 -","2","0.125","","Sørensen, Mikkel A.; Weihe, Høgni; Vinum, Morten G.; Mortensen, Jesper S.; Doerrer, Linda H.; Bendix, Jesper","Imposing high-symmetry and tuneable geometry on lanthanide centres with chelating Pt and Pd metalloligands","Chem. Sci.","2017","8","5","3566","","10.1039/C7SC00135E","","","0.71073","MoKα","","0.0325","0.0189","","","0.0336","0.0374","","","","","","1.0957","","","","has coordinates,has disorder","196331","2020-10-21","18:00:00",""
"1545347","8.5854","0.0004","8.5854","0.0004","25.5257","0.0015","90","","90","","90","","1881.48","0.17","122","","122","","","","","","","","","7","P 4/m c c","-P 4 2c","124","","","","- C24 H44 N O8 Pt2 S8 Y -","- C24 H44 N O8 Pt2 S8 Y -","- C48 H88 N2 O16 Pt4 S16 Y2 -","2","0.125","","Sørensen, Mikkel A.; Weihe, Høgni; Vinum, Morten G.; Mortensen, Jesper S.; Doerrer, Linda H.; Bendix, Jesper","Imposing high-symmetry and tuneable geometry on lanthanide centres with chelating Pt and Pd metalloligands","Chem. Sci.","2017","8","5","3566","","10.1039/C7SC00135E","","","0.71073","MoKα","","0.0225","0.0143","","","0.0296","0.0327","","","","","","1.0591","","","","has coordinates,has disorder","196331","2020-10-21","18:00:00",""
"1545348","8.5693","0.0004","8.5693","0.0004","25.5201","0.0014","90","","90","","90","","1874.02","0.16","122","","122","","","","","","","","","7","P 4/m c c","-P 4 2c","124","","","","- C24 H44 N O8 Pt2 S8 Yb -","- C24 H44 N O8 Pt2 S8 Yb -","- C48 H88 N2 O16 Pt4 S16 Yb2 -","2","0.125","","Sørensen, Mikkel A.; Weihe, Høgni; Vinum, Morten G.; Mortensen, Jesper S.; Doerrer, Linda H.; Bendix, Jesper","Imposing high-symmetry and tuneable geometry on lanthanide centres with chelating Pt and Pd metalloligands","Chem. Sci.","2017","8","5","3566","","10.1039/C7SC00135E","","","0.71073","MoKα","","0.0217","0.0145","","","0.0296","0.033","","","","","","1.0647","","","","has coordinates,has disorder","196331","2020-10-21","18:00:00",""
"1545349","8.5857","0.0003","8.5857","0.0003","25.5107","0.0009","90","","90","","90","","1880.5","0.11","122","","122","","","","","","","","","7","P 4/m c c","-P 4 2c","124","","","","- C24 H44 Er N O8 Pt2 S8 -","- C24 H44 Er N O8 Pt2 S8 -","- C48 H88 Er2 N2 O16 Pt4 S16 -","2","0.125","","Sørensen, Mikkel A.; Weihe, Høgni; Vinum, Morten G.; Mortensen, Jesper S.; Doerrer, Linda H.; Bendix, Jesper","Imposing high-symmetry and tuneable geometry on lanthanide centres with chelating Pt and Pd metalloligands","Chem. Sci.","2017","8","5","3566","","10.1039/C7SC00135E","","","0.71073","MoKα","","0.0219","0.014","","","0.0295","0.0322","","","","","","1.0967","","","","has coordinates,has disorder","196331","2020-10-21","18:00:00",""
"1545350","8.6049","0.0003","8.6049","0.0003","25.4824","0.0011","90","","90","","90","","1886.83","0.12","122","","122","","","","","","","","","7","P 4/m c c","-P 4 2c","124","","","","- C24 H44 N O8 Pt2 S8 Tb -","- C24 H44 N O8 Pt2 S8 Tb -","- C48 H88 N2 O16 Pt4 S16 Tb2 -","2","0.125","","Sørensen, Mikkel A.; Weihe, Høgni; Vinum, Morten G.; Mortensen, Jesper S.; Doerrer, Linda H.; Bendix, Jesper","Imposing high-symmetry and tuneable geometry on lanthanide centres with chelating Pt and Pd metalloligands","Chem. Sci.","2017","8","5","3566","","10.1039/C7SC00135E","","","0.71073","MoKα","","0.0298","0.0177","","","0.0347","0.039","","","","","","1.0857","","","","has coordinates,has disorder","196331","2020-10-21","18:00:00",""
"1545351","8.68","0.0004","8.68","0.0004","25.8359","0.0012","90","","90","","90","","1946.54","0.16","295","","295","","","","","","","","","7","P 4/m c c","-P 4 2c","124","","","","- C24 H44 Gd N O8 Pt2 S8 -","- C24 H44 Gd N O8 Pt2 S8 -","- C48 H88 Gd2 N2 O16 Pt4 S16 -","2","0.125","","Sørensen, Mikkel A.; Weihe, Høgni; Vinum, Morten G.; Mortensen, Jesper S.; Doerrer, Linda H.; Bendix, Jesper","Imposing high-symmetry and tuneable geometry on lanthanide centres with chelating Pt and Pd metalloligands","Chem. Sci.","2017","8","5","3566","","10.1039/C7SC00135E","","","0.71073","MoKα","","0.0316","0.021","","","0.0653","0.074","","","","","","1.0425","","","","has coordinates,has disorder","196331","2020-10-21","18:00:00",""
"1545352","8.6134","0.0003","8.6134","0.0003","25.4434","0.0009","90","","90","","90","","1887.66","0.11","122","","122","","","","","","","","","7","P 4/m c c","-P 4 2c","124","","","","- C24 H44 Gd N O8 Pt2 S8 -","- C24 H44 Gd N O8 Pt2 S8 -","- C48 H88 Gd2 N2 O16 Pt4 S16 -","2","0.125","","Sørensen, Mikkel A.; Weihe, Høgni; Vinum, Morten G.; Mortensen, Jesper S.; Doerrer, Linda H.; Bendix, Jesper","Imposing high-symmetry and tuneable geometry on lanthanide centres with chelating Pt and Pd metalloligands","Chem. Sci.","2017","8","5","3566","","10.1039/C7SC00135E","","","0.71073","MoKα","","0.0215","0.0164","","","0.0522","0.0559","","","","","","1.0895","","","","has coordinates,has disorder","196331","2020-10-21","18:00:00",""
"1545353","8.6247","0.0003","8.6247","0.0003","25.4329","0.0009","90","","90","","90","","1891.84","0.11","122","","122","","","","","","","","","7","P 4/m c c","-P 4 2c","124","","","","- C24 H44 Eu N O8 Pt2 S8 -","- C24 H44 Eu N O8 Pt2 S8 -","- C48 H88 Eu2 N2 O16 Pt4 S16 -","2","0.125","","Sørensen, Mikkel A.; Weihe, Høgni; Vinum, Morten G.; Mortensen, Jesper S.; Doerrer, Linda H.; Bendix, Jesper","Imposing high-symmetry and tuneable geometry on lanthanide centres with chelating Pt and Pd metalloligands","Chem. Sci.","2017","8","5","3566","","10.1039/C7SC00135E","","","0.71073","MoKα","","0.0232","0.0165","","","0.0339","0.0362","","","","","","1.1136","","","","has coordinates,has disorder","196331","2020-10-21","18:00:00",""
"1545354","8.6832","0.0002","8.6832","0.0002","25.8856","0.0009","90","","90","","90","","1951.72","0.09","295","","295","","","","","","","","","7","P 4/m c c","-P 4 2c","124","","","","- C24 H44 Gd N O8 Pd2 S8 -","- C24 H44 Gd N O8 Pd2 S8 -","- C48 H88 Gd2 N2 O16 Pd4 S16 -","2","0.125","","Sørensen, Mikkel A.; Weihe, Høgni; Vinum, Morten G.; Mortensen, Jesper S.; Doerrer, Linda H.; Bendix, Jesper","Imposing high-symmetry and tuneable geometry on lanthanide centres with chelating Pt and Pd metalloligands","Chem. Sci.","2017","8","5","3566","","10.1039/C7SC00135E","","","0.71073","MoKα","","0.048","0.0283","","","0.048","0.0533","","","","","","1.1018","","","","has coordinates,has disorder","196331","2020-10-21","18:00:00",""
"1545355","8.6638","0.0003","8.6638","0.0003","25.8747","0.0009","90","","90","","90","","1942.19","0.12","295","","295","","","","","","","","","7","P 4/m c c","-P 4 2c","124","","","","- C24 H44 N O8 Pd2 S8 Y -","- C24 H44 N O8 Pd2 S8 Y -","- C48 H88 N2 O16 Pd4 S16 Y2 -","2","0.125","","Sørensen, Mikkel A.; Weihe, Høgni; Vinum, Morten G.; Mortensen, Jesper S.; Doerrer, Linda H.; Bendix, Jesper","Imposing high-symmetry and tuneable geometry on lanthanide centres with chelating Pt and Pd metalloligands","Chem. Sci.","2017","8","5","3566","","10.1039/C7SC00135E","","","0.71073","MoKα","","0.0378","0.0246","","","0.0467","0.0514","","","","","","1.0878","","","","has coordinates,has disorder","196331","2020-10-21","18:00:00",""
"1545356","12.6485","0.0007","12.6485","0.0007","15.1509","0.0008","90","","90","","90","","2423.9","0.2","123","","123","","","","","","","","","7","P 4/n","-P 4a","85","","","","- C40 H44 Dy O8 P Pt2 S8 -","- C40 H44 Dy O8 P Pt2 S8 -","- C80 H88 Dy2 O16 P2 Pt4 S16 -","2","","","Sørensen, Mikkel A.; Weihe, Høgni; Vinum, Morten G.; Mortensen, Jesper S.; Doerrer, Linda H.; Bendix, Jesper","Imposing high-symmetry and tuneable geometry on lanthanide centres with chelating Pt and Pd metalloligands","Chem. Sci.","2017","8","5","3566","","10.1039/C7SC00135E","","","0.71073","MoKα","","0.0478","0.0245","","","0.0357","0.0405","","","","","","1.007","","","","has coordinates","196331","2020-10-21","18:00:00",""
"1545357","12.6436","0.0005","12.6436","0.0005","15.1616","0.0007","90","","90","","90","","2423.74","0.18","123","","123","","","","","","","","","7","P 4/n","-P 4a","85","","","","- C40 H44 O8 P Pt2 S8 Y -","- C40 H44 O8 P Pt2 S8 Y -","- C80 H88 O16 P2 Pt4 S16 Y2 -","2","","","Sørensen, Mikkel A.; Weihe, Høgni; Vinum, Morten G.; Mortensen, Jesper S.; Doerrer, Linda H.; Bendix, Jesper","Imposing high-symmetry and tuneable geometry on lanthanide centres with chelating Pt and Pd metalloligands","Chem. Sci.","2017","8","5","3566","","10.1039/C7SC00135E","","","0.71073","MoKα","","0.0242","0.0176","","","0.0344","0.0363","","","","","","1.0376","","","","has coordinates","196331","2020-10-21","18:00:00",""
"1545358","12.8","0.002","12.8","0.002","15.345","0.003","90","","90","","90","","2514.1","0.7","295","","295","","","","","","","","","7","P 4/n","-P 4a","85","","","","- C40 H44 Gd O8 P Pt2 S8 -","- C40 H44 Gd O8 P Pt2 S8 -","- C80 H88 Gd2 O16 P2 Pt4 S16 -","2","","","Sørensen, Mikkel A.; Weihe, Høgni; Vinum, Morten G.; Mortensen, Jesper S.; Doerrer, Linda H.; Bendix, Jesper","Imposing high-symmetry and tuneable geometry on lanthanide centres with chelating Pt and Pd metalloligands","Chem. Sci.","2017","8","5","3566","","10.1039/C7SC00135E","","","0.71073","MoKα","","0.037","0.0254","","","0.0581","0.064","","","","","","1.051","","","","has coordinates","196331","2020-10-21","18:00:00",""
"1545359","12.6459","0.0004","12.6459","0.0004","15.14","0.0005","90","","90","","90","","2421.17","0.13","123","","123","","","","","","","","","7","P 4/n","-P 4a","85","","","","- C40 H44 Ho O8 P Pt2 S8 -","- C40 H44 Ho O8 P Pt2 S8 -","- C80 H88 Ho2 O16 P2 Pt4 S16 -","2","","","Sørensen, Mikkel A.; Weihe, Høgni; Vinum, Morten G.; Mortensen, Jesper S.; Doerrer, Linda H.; Bendix, Jesper","Imposing high-symmetry and tuneable geometry on lanthanide centres with chelating Pt and Pd metalloligands","Chem. Sci.","2017","8","5","3566","","10.1039/C7SC00135E","","","0.71073","MoKα","","0.032","0.0201","","","0.0371","0.0403","","","","","","1.034","","","","has coordinates","196331","2020-10-21","18:00:00",""
"1545360","12.6486","0.0006","12.6486","0.0006","15.1552","0.001","90","","90","","90","","2424.6","0.2","123","","123","","","","","","","","","7","P 4/n","-P 4a","85","","","","- C40 H44 O8 P Pt2 S8 Tb -","- C40 H44 O8 P Pt2 S8 Tb -","- C80 H88 O16 P2 Pt4 S16 Tb2 -","2","","","Sørensen, Mikkel A.; Weihe, Høgni; Vinum, Morten G.; Mortensen, Jesper S.; Doerrer, Linda H.; Bendix, Jesper","Imposing high-symmetry and tuneable geometry on lanthanide centres with chelating Pt and Pd metalloligands","Chem. Sci.","2017","8","5","3566","","10.1039/C7SC00135E","","","0.71073","MoKα","","0.038","0.0224","","","0.0354","0.0388","","","","","","1.0491","","","","has coordinates","196331","2020-10-21","18:00:00",""
"1545361","12.6662","0.0005","12.6662","0.0005","15.1584","0.0006","90","","90","","90","","2431.9","0.17","123","","123","","","","","","","","","7","P 4/n","-P 4a","85","","","","- C40 H44 Gd O8 P Pt2 S8 -","- C40 H44 Gd O8 P Pt2 S8 -","- C80 H88 Gd2 O16 P2 Pt4 S16 -","2","","","Sørensen, Mikkel A.; Weihe, Høgni; Vinum, Morten G.; Mortensen, Jesper S.; Doerrer, Linda H.; Bendix, Jesper","Imposing high-symmetry and tuneable geometry on lanthanide centres with chelating Pt and Pd metalloligands","Chem. Sci.","2017","8","5","3566","","10.1039/C7SC00135E","","","0.71073","MoKα","","0.0248","0.0175","","","0.0351","0.0375","","","","","","1.0535","","","","has coordinates","196331","2020-10-21","18:00:00",""
"1545362","12.6367","0.0004","12.6367","0.0004","15.1479","0.0006","90","","90","","90","","2418.91","0.14","123","","123","","","","","","","","","7","P 4/n","-P 4a","85","","","","- C40 H44 Er O8 P Pt2 S8 -","- C40 H44 Er O8 P Pt2 S8 -","- C80 H88 Er2 O16 P2 Pt4 S16 -","2","","","Sørensen, Mikkel A.; Weihe, Høgni; Vinum, Morten G.; Mortensen, Jesper S.; Doerrer, Linda H.; Bendix, Jesper","Imposing high-symmetry and tuneable geometry on lanthanide centres with chelating Pt and Pd metalloligands","Chem. Sci.","2017","8","5","3566","","10.1039/C7SC00135E","","","0.71073","MoKα","","0.0333","0.0207","","","0.0373","0.0407","","","","","","1.0381","","","","has coordinates","196331","2020-10-21","18:00:00",""
"1545363","12.8122","0.0007","12.8122","0.0007","15.3823","0.0007","90","","90","","90","","2525","0.2","295","","295","","","","","","","","","7","P 4/n","-P 4a","85","","","","- C40 H44 Gd O8 P Pd2 S8 -","- C40 H44 Gd O8 P Pd2 S8 -","- C80 H88 Gd2 O16 P2 Pd4 S16 -","2","","","Sørensen, Mikkel A.; Weihe, Høgni; Vinum, Morten G.; Mortensen, Jesper S.; Doerrer, Linda H.; Bendix, Jesper","Imposing high-symmetry and tuneable geometry on lanthanide centres with chelating Pt and Pd metalloligands","Chem. Sci.","2017","8","5","3566","","10.1039/C7SC00135E","","","0.71073","MoKα","","0.0577","0.0399","","","0.0915","0.1008","","","","","","1.0199","","","","has coordinates,has disorder","196331","2020-10-21","18:00:00",""
"1545364","12.8004","0.0005","12.8004","0.0005","15.373","0.0006","90","","90","","90","","2518.87","0.17","295","","295","","","","","","","","","7","P 4/n","-P 4a","85","","","","- C40 H44 O8 P Pd2 S8 Y -","- C40 H44 O8 P Pd2 S8 Y -","- C80 H88 O16 P2 Pd4 S16 Y2 -","2","","","Sørensen, Mikkel A.; Weihe, Høgni; Vinum, Morten G.; Mortensen, Jesper S.; Doerrer, Linda H.; Bendix, Jesper","Imposing high-symmetry and tuneable geometry on lanthanide centres with chelating Pt and Pd metalloligands","Chem. Sci.","2017","8","5","3566","","10.1039/C7SC00135E","","","0.71073","MoKα","","0.0667","0.049","","","0.1287","0.1424","","","","","","1.0281","","","","has coordinates","196331","2020-10-21","18:00:00",""
"1545365","9.17488","0.00014","19.0562","0.0003","30.0078","0.0006","90","","93.281","0.0017","90","","5237.91","0.16","150.01","0.1","150.01","0.1","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C55 H80 B Mg N3 O3 -","- C55 H80 B Mg N3 O3 -","- C220 H320 B4 Mg4 N12 O12 -","4","1","","Yang, Yan; Anker, Mathew D.; Fang, Jian; Mahon, Mary F.; Maron, Laurent; Weetman, Catherine; Hill, Michael S.","Hydrodeoxygenation of isocyanates: snapshots of a magnesium-mediated CO bond cleavage","Chem. Sci.","2017","8","5","3529","","10.1039/C7SC00117G","","x-ray","1.54184","CuKα","","0.0623","0.0472","","","0.1163","0.1262","","","","","","1.017","","","","has coordinates,has disorder","196332","2020-10-21","18:00:00",""
"1545366","11.59209","0.00014","26.2784","0.0003","12.80407","0.00016","90","","91.4753","0.0011","90","","3899.1","0.08","150.01","0.1","150.01","0.1","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C42 H59 Mg N3 O -","- C42 H59 Mg N3 O -","- C168 H236 Mg4 N12 O4 -","4","1","","Yang, Yan; Anker, Mathew D.; Fang, Jian; Mahon, Mary F.; Maron, Laurent; Weetman, Catherine; Hill, Michael S.","Hydrodeoxygenation of isocyanates: snapshots of a magnesium-mediated CO bond cleavage","Chem. Sci.","2017","8","5","3529","","10.1039/C7SC00117G","","x-ray","1.54184","CuKα","","0.0473","0.0367","","","0.0894","0.0952","","","","","","1.017","","","","has coordinates","196332","2020-10-21","18:00:00",""
"1545367","13.48093","0.00017","14.64625","0.00015","18.8268","0.0002","90","","94.1686","0.0012","90","","3707.42","0.07","150","0.1","150","0.1","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C38.5 H57 B Mg N2 O3 -","- C35 H53 B Mg N2 O3 -","- C140 H212 B4 Mg4 N8 O12 -","4","1","","Yang, Yan; Anker, Mathew D.; Fang, Jian; Mahon, Mary F.; Maron, Laurent; Weetman, Catherine; Hill, Michael S.","Hydrodeoxygenation of isocyanates: snapshots of a magnesium-mediated CO bond cleavage","Chem. Sci.","2017","8","5","3529","","10.1039/C7SC00117G","","x-ray","1.54184","CuKα","","0.0607","0.0482","","","0.123","0.1306","","","","","","1.024","","","","has coordinates,has disorder","196332","2020-10-21","18:00:00",""
"1545368","11.549","0.0002","33.161","0.0006","13.3198","0.0002","90","","105.633","0.001","90","","4912.46","0.15","150","2","150","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C22 H37 B2 N O5 -","- C22 H37 B2 N O5 -","- C176 H296 B16 N8 O40 -","8","2","","Yang, Yan; Anker, Mathew D.; Fang, Jian; Mahon, Mary F.; Maron, Laurent; Weetman, Catherine; Hill, Michael S.","Hydrodeoxygenation of isocyanates: snapshots of a magnesium-mediated CO bond cleavage","Chem. Sci.","2017","8","5","3529","","10.1039/C7SC00117G","","","0.71073","MoKα","","0.0775","0.0498","","","0.1237","0.139","","","","","","1.011","","","","has coordinates","196332","2020-10-21","18:00:00",""
"1545369","9.7577","0.0002","9.7577","0.0002","17.8748","0.0004","90","","90","","120","","1473.9","0.05","150","0.1","150","0.1","","","","","","","","5","P 31","P 31","144","","","","- C19 H30 B N O3 -","- C19 H30 B N O3 -","- C57 H90 B3 N3 O9 -","3","1","","Yang, Yan; Anker, Mathew D.; Fang, Jian; Mahon, Mary F.; Maron, Laurent; Weetman, Catherine; Hill, Michael S.","Hydrodeoxygenation of isocyanates: snapshots of a magnesium-mediated CO bond cleavage","Chem. Sci.","2017","8","5","3529","","10.1039/C7SC00117G","","","1.54184","CuKα","","0.0433","0.0413","","","0.1037","0.1053","","","","","","1.049","","","","has coordinates","196332","2020-10-21","18:00:00",""
"1545370","10.0273","0.0004","12.4499","0.0007","21.5324","0.0009","90","","90","","90","","2688.1","0.2","150.01","0.1","150.01","0.1","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C25 H43 B2 N O5 -","- C25 H43 B2 N O5 -","- C100 H172 B8 N4 O20 -","4","1","","Yang, Yan; Anker, Mathew D.; Fang, Jian; Mahon, Mary F.; Maron, Laurent; Weetman, Catherine; Hill, Michael S.","Hydrodeoxygenation of isocyanates: snapshots of a magnesium-mediated CO bond cleavage","Chem. Sci.","2017","8","5","3529","","10.1039/C7SC00117G","","x-ray","0.71073","MoKα","","0.0879","0.0529","","","0.0897","0.101","","","","","","1.049","","","","has coordinates,has disorder","196332","2020-10-21","18:00:00",""
"1545371","6.2396","0.0002","15.0244","0.0005","13.6239","0.0004","90","","106.777","0.002","90","","1222.83","0.07","100","2","100","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C14 H11 B F2 N2 O2 -","- C14 H11 B F2 N2 O2 -","- C56 H44 B4 F8 N8 O8 -","4","1","","Crandall, Laura A.; Dawadi, Mahesh B.; Burrell, Tailon; Odoom, Adwoa; Ziegler, Christopher J.","Structure and electronics in dimeric boron π expanded azine and salphen complexes.","Photochemical & photobiological sciences : Official journal of the European Photochemistry Association and the European Society for Photobiology","2017","","","","","10.1039/c6pp00479b","","","1.54178","CuKα","","0.0484","0.0454","","","0.1826","0.1856","","","","","","1.608","","","","has coordinates","192737","2020-10-21","18:00:00",""
"1545372","11.2748","0.0014","14.4752","0.0018","17.3","0.002","110.39","0.003","90.141","0.003","100.184","0.003","2598.6","0.5","100","2","100","2","","","","","","","","7","P -1","-P 1","2","","","","- C29 H20 B2 Cl2 F4 N2 O2 -","- C29 H20 B2 Cl2 F4 N2 O2 -","- C116 H80 B8 Cl8 F16 N8 O8 -","4","2","","Crandall, Laura A.; Dawadi, Mahesh B.; Burrell, Tailon; Odoom, Adwoa; Ziegler, Christopher J.","Structure and electronics in dimeric boron π expanded azine and salphen complexes.","Photochemical & photobiological sciences : Official journal of the European Photochemistry Association and the European Society for Photobiology","2017","","","","","10.1039/c6pp00479b","","","0.71073","MoKα","","0.0654","0.0512","","","0.1447","0.1577","","","","","","1.067","","","","has coordinates","192737","2020-10-21","18:00:00",""
"1545373","10.5217","0.0009","12.6033","0.001","16.7317","0.0015","90","","90","","90","","2218.8","0.3","100","2","100","2","","","","","","","","6","P b c n","-P 2n 2ab","60","","","","- C28 H18 B2 F4 N2 O2 -","- C28 H18 B2 F4 N2 O2 -","- C112 H72 B8 F16 N8 O8 -","4","0.5","","Crandall, Laura A.; Dawadi, Mahesh B.; Burrell, Tailon; Odoom, Adwoa; Ziegler, Christopher J.","Structure and electronics in dimeric boron π expanded azine and salphen complexes.","Photochemical & photobiological sciences : Official journal of the European Photochemistry Association and the European Society for Photobiology","2017","","","","","10.1039/c6pp00479b","","","1.54178","CuKα","","0.0857","0.0827","","","0.2133","0.2147","","","","","","1.159","","","","has coordinates","192737","2020-10-21","18:00:00",""
"1545374","9.6836","0.0007","5.634","0.0004","27.2833","0.0019","90","","96.073","0.002","90","","1480.15","0.18","100","2","100","2","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C32 H30 B2 F4 N2 O4 S2 -","- C32 H30 B2 F4 N2 O4 S2 -","- C64 H60 B4 F8 N4 O8 S4 -","2","0.5","","Crandall, Laura A.; Dawadi, Mahesh B.; Burrell, Tailon; Odoom, Adwoa; Ziegler, Christopher J.","Structure and electronics in dimeric boron π expanded azine and salphen complexes.","Photochemical & photobiological sciences : Official journal of the European Photochemistry Association and the European Society for Photobiology","2017","","","","","10.1039/c6pp00479b","","","0.71073","MoKα","","0.0451","0.0402","","","0.1235","0.1295","","","","","","0.996","","","","has coordinates","192737","2020-10-21","18:00:00",""
"1545375","8.1614","0.0012","9.4911","0.0014","11.3018","0.0018","94.706","0.007","101.989","0.005","92.791","0.007","851.5","0.2","100","2","100","2","","","","","","","","6","P -1","-P 1","2","","","","- C22 H15 B F2 N2 O2 -","- C22 H15 B F2 N2 O2 -","- C44 H30 B2 F4 N4 O4 -","2","1","","Crandall, Laura A.; Dawadi, Mahesh B.; Burrell, Tailon; Odoom, Adwoa; Ziegler, Christopher J.","Structure and electronics in dimeric boron π expanded azine and salphen complexes.","Photochemical & photobiological sciences : Official journal of the European Photochemistry Association and the European Society for Photobiology","2017","","","","","10.1039/c6pp00479b","","","0.71073","MoKα","","0.1486","0.141","","","0.4363","0.4405","","","","","","1.128","","","","has coordinates","192737","2020-10-21","18:00:00",""
"1545376","17.548","0.005","8.719","0.003","12.237","0.004","90","","108.38","0.009","90","","1776.8","1","293","2","293","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","5-[(Benzo[<i>d</i>][1,3]dioxol-5-yl)methyl]-3-[4-(pyridin-2-yl)phenyl]-4,5-dihydroisoxazole","","- C22 H18 N2 O3 -","- C22 H18 N2 O3 -","- C88 H72 N8 O12 -","4","1","PK4012","El-Khatatneh, Nasseem; Vinayaka, A. C.; Chandra; Sadashiva, M. P.; Jeyaseelan, S.; Mahendra, M.","5-[(Benzo[<i>d</i>][1,3]dioxol-5-yl)methyl]-3-[4-(pyridin-2-yl)phenyl]-4,5-dihydroisoxazole","IUCrData","2017","2","2","x170278","","10.1107/S2414314617002784","","","0.71073","MoKα","","0.0621","0.0444","","","0.1171","0.1271","","","","","","1.049","","","","has coordinates,has disorder,has Fobs","192761","2020-10-21","18:00:00",""
"1545377","10.4395","0.0001","10.8739","0.0001","16.7853","0.0002","90","","95.448","0.001","90","","1896.83","0.03","123","","123","","","","","","","","","3","P 1 21 1","P 2yb","4","Cannabidiol","2-[(1<i>R</i>,6<i>R</i>)-3-Methyl-6-(prop-1-en-2-yl)cyclohex-2-enyl]-5-pentylbenzene-1,3-diol","","- C21 H30 O2 -","- C21 H30 O2 -","- C84 H120 O8 -","4","2","SU4129","Mayr, Tobias; Grassl, Tobias; Korber, Nikolaus; Christoffel, Volker; Bodensteiner, Michael","Cannabidiol revisited","IUCrData","2017","2","2","x170276","","10.1107/S2414314617002760","","","1.39222","CuKβ","","0.0336","0.0322","","","0.0861","0.0881","","","","","","1.027","","","","has coordinates,has Fobs","192762","2020-10-21","18:00:00",""
"1545378","8.8003","0.0006","8.8003","0.0006","19.772","0.002","90","","90","","90","","1531.2","0.2","93","","93","","","","","","","","","6","P 43 21 2","P 4nw 2abw","96","","<i>cis</i>,<i>trans</i>-Dicarbonyldichlorido(1,10-phenanthroline-5,6-dione-κ^2^<i>N</i>,<i>N</i>')ruthenium(II)","","- C14 H6 Cl2 N2 O4 Ru -","- C14 H6 Cl2 N2 O4 Ru -","- C56 H24 Cl8 N8 O16 Ru4 -","4","0.5","","Takase, Tsugiko; Takahashi, Kasumi; Oyama, Dai","<i>cis</i>,<i>trans</i>-Dicarbonyldichlorido(1,10-phenanthroline-5,6-dione-κ^2^<i>N</i>,<i>N</i>')ruthenium(II)","IUCrData","2017","2","2","x170288","","10.1107/S2414314617002887","","","0.71075","MoKα","","","0.0249","","","","0.0613","","","","","","1.082","","","","has coordinates,has Fobs","192763","2020-10-21","18:00:00",""
"1545379","6.9962","0.0013","18.654","0.004","12.426","0.003","90","","91.273","0.005","90","","1621.3","0.6","296","2","296","2","","","","","","","","5","P 1 21 1","P 2yb","4","","(1<i>S</i>,2<i>R</i>,8<i>R</i>)-11-Amino-2,2-dichloro-3,7,7,10-tetramethyltricyclo[6.4.0.0^1,3^]dodec-10-en-9-one","","- C16 H23 Cl2 N O -","- C16 H23 Cl2 N O -","- C64 H92 Cl8 N4 O4 -","4","2","","Ait Elhad, Mustapha; Benharref, Ahmed; El Ammari, Lahcen; Saadi, Mohamed; Oukhrib, Abdelouahd; Berraho, Moha","(1<i>S</i>,2<i>R</i>,8<i>R</i>)-11-Amino-2,2-dichloro-3,7,7,10-tetramethyltricyclo[6.4.0.0^1,3^]dodec-10-en-9-one","IUCrData","2017","2","2","x170255","","10.1107/S2414314617002553","","","0.71073","MoKα","","0.0594","0.0381","","","0.0835","0.0938","","","","","","1.016","","","","has coordinates,has Fobs","192764","2020-10-21","18:00:00",""
"1545380","12.486","0.007","9.738","0.005","16.089","0.009","90","","109.518","0.006","90","","1843.8","1.7","93","","93","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","<i>N</i>-[5-(Diphenylamino)penta-2,4-diyn-1-yl]benzamide","","- C24 H18 N2 O -","- C24 H18 N2 O -","- C96 H72 N8 O4 -","4","1","FF4013","Kawashima, Takuya; Okuno, Tsunehisa","<i>N</i>-[5-(Diphenylamino)penta-2,4-diyn-1-yl]benzamide","IUCrData","2017","2","2","x170277","","10.1107/S2414314617002772","","","0.71075","MoKα","","0.0892","0.0602","","","0.141","0.1619","","","","","","1.064","","","","has coordinates,has Fobs","192765","2020-10-21","18:00:00",""
"1545381","17.511","0.001","8.9191","0.0007","25.2761","0.0015","90","","92.179","0.002","90","","3944.8","0.4","100","0.2","100","0.2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","2,7-Dibromo-10'<i>H</i>-spiro[fluorene-9,9'-phenanthren]-10'-one","","- C26 H14 Br2 O -","- C26 H14 Br2 O -","- C208 H112 Br16 O8 -","8","2","SU5344","Chen, Yih-Chun; Watanabe, Motonori; Wen, Yuh-Sheng; Chang, Yuan Jay","2,7-Dibromo-10'<i>H</i>-spiro[fluorene-9,9'-phenanthren]-10'-one","IUCrData","2017","2","2","x170301","","10.1107/S2414314617003017","","","0.71073","MoKα","","0.0402","0.0276","","","0.0589","0.0634","","","","","","1.027","","","","has coordinates,has Fobs","192766","2020-10-21","18:00:00",""
"1545382","8.6572","0.0002","8.8108","0.0002","14.2054","0.0003","79.406","0.001","86.24","0.001","67.895","0.001","986.78","0.04","298","2","298","2","","","","","","","","6","P -1","-P 1","2","","<i>trans</i>-Bis(<i>N</i>-{2-[2-(3-methyl-1<i>H</i>-pyrazol-5-yl-κ<i>N</i>^2^)acetamido-κ<i>O</i>]phenyl}benzamide)bis(perchlorato-κ<i>O</i>)copper(II)","","- C38 H36 Cl2 Cu N8 O12 -","- C38 H36 Cl2 Cu N8 O12 -","- C38 H36 Cl2 Cu N8 O12 -","1","0.5","ZQ4016","Chkirate, Karim; Sebbar, Nada Kheira; Ouzidan, Younes; Essassi, El Mokhtar; Mague, Joel T.","<i>trans</i>-Bis(<i>N</i>-{2-[2-(3-methyl-1<i>H</i>-pyrazol-5-yl-κ<i>N</i>^2^)acetamido-κ<i>O</i>]phenyl}benzamide)bis(perchlorato-κ<i>O</i>)copper(II)","IUCrData","2017","2","2","x170285","","10.1107/S2414314617002851","","","1.54178","CuKα","","0.0563","0.0437","","","0.1092","0.1181","","","","","","1.038","","","","has coordinates,has Fobs","192767","2020-10-21","18:00:00",""
"1545383","9.7147","0.0003","10.0052","0.0003","16.3078","0.0005","90","","90","","90","","1585.08","0.08","296","2","296","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","<i>N</i>-[(3a<i>R</i>*,3b<i>S</i>*)-1,3b,7,7-Tetramethyl-3,3b,4,5,6,7,7a,7b-octahydro-3a<i>H</i>-cyclopenta[3,4]cyclobuta[1,2]benzen-3a-yl]acetamide","","- C17 H27 N O -","- C17 H27 N O -","- C68 H108 N4 O4 -","4","1","","Ait Elhad, Mustapha; Benharref, Ahmed; El Ammari, Lahcen; Saadi, Mohamed; Oukhrib, Abdelouahd; Berraho, Moha","<i>N</i>-[(3a<i>R</i>*,3b<i>S</i>*)-1,3b,7,7-Tetramethyl-3a,3b,4,5,6,7,7a,7b-octahydro-3<i>H</i>-cyclopenta[3,4]cyclobuta[1,2]benzen-3a-yl]acetamide","IUCrData","2017","2","2","x170275","","10.1107/S2414314617002759","","","0.71073","MoKα","","0.0412","0.0383","","","0.0997","0.1028","","","","","","1.055","","","","has coordinates,has Fobs","192768","2020-10-21","18:00:00",""
"1545384","10.4328","0.0012","14.3157","0.0015","10.4869","0.0012","90","","117.064","0.006","90","","1394.7","0.3","296","2","296","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","2,5-Dimethoxy-<i>N</i>-phenylbenzenesulfonamide","","- C14 H15 N O4 S -","- C14 H15 N O4 S -","- C56 H60 N4 O16 S4 -","4","1","HB4126","Shakuntala, K.; Kumari, Vijaya; Lokanath, N. K.; Naveen, S.; Suchetan, P. A.","2,5-Dimethoxy-<i>N</i>-phenylbenzenesulfonamide","IUCrData","2017","2","2","x170311","","10.1107/S241431461700311X","","","1.54178","CuKα","","0.0756","0.0666","","","0.1767","0.1857","","","","","","1.036","","","","has coordinates,has Fobs","192769","2020-10-21","18:00:00",""
"1545385","8.0315","0.0011","9.7147","0.0014","10.7577","0.0015","111.205","0.004","90.226","0.005","109.381","0.004","730.81","0.18","200","2","200","2","","","","","","","","5","P -1","-P 1","2","","Dibromido(<i>N</i>-phenylbenzamidine-κ<i>N</i>')tin(II)","","- C13 H12 Br2 N2 Sn -","- C13 H12 Br2 N2 Sn -","- C26 H24 Br4 N4 Sn2 -","2","1","ZQ4017","Ma, Xiuming","Dibromido(<i>N</i>-phenylbenzamidine-κ<i>N</i>')tin(II)","IUCrData","2017","2","2","x170316","","10.1107/S2414314617003169","","","0.71073","MoKα","","0.0313","0.0248","","","0.0525","0.0553","","","","","","1.047","","","","has coordinates,has Fobs","192770","2020-10-21","18:00:00",""
"1545386","9.5114","0.0008","12.308","0.0011","12.5537","0.0011","90","","98.962","0.003","90","","1451.7","0.2","295","2","295","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","4-Methylanilinium 3-carboxy-4-hydroxybenzenesulfonate","","- C14 H15 N O6 S -","- C14 H15 N O6 S -","- C56 H60 N4 O24 S4 -","4","1","BT4043","Kalaiyarasi, S.; Suresh, S.; Akilan, R.; Kumar, R. Mohan; Chakkaravarthi, G.","4-Methylanilinium 3-carboxy-4-hydroxybenzenesulfonate","IUCrData","2017","2","2","x170254","","10.1107/S2414314617002541","","","0.71073","MoKα","","0.0777","0.0512","","","0.1225","0.1417","","","","","","1.096","","","","has coordinates,has Fobs","192771","2020-10-21","18:00:00",""
"1545387","8.422","0.0003","10.041","0.0004","10.8799","0.0004","101.889","0.002","94.104","0.002","90.402","0.001","897.79","0.06","150","2","150","2","","","","","","","","4","P -1","-P 1","2","","<i>N</i>-{2-[2-(5-Methyl-1<i>H</i>-pyrazol-3-yl)acetamido]phenyl}benzamide monohydrate","","- C19 H20 N4 O3 -","- C19 H20 N4 O3 -","- C38 H40 N8 O6 -","2","1","SJ4090","Chkirate, Karim; Mague, Joel T.; Sebbar, Nada Kheira; Ouzidan, Younes; Essassi, El Mokhtar","<i>N</i>-{2-[2-(5-Methyl-1<i>H</i>-pyrazol-3-yl)acetamido]phenyl}benzamide monohydrate","IUCrData","2017","2","2","x170251","","10.1107/S2414314617002516","","","1.54178","CuKα","","0.0444","0.0382","","","0.1062","0.1142","","","","","","1.062","","","","has coordinates,has Fobs","192772","2020-10-21","18:00:00",""
"1545388","10.4011","0.0007","14.8949","0.001","29.04","0.002","90","","90","","90","","4499","0.5","100","2","100","2","","","","","","","","7","P 21 21 21","P 2ac 2ab","19","","","","- C46 H64 Al Cl Fe O4 S2 -","- C46 H64 Al Cl Fe O4 S2 -","- C184 H256 Al4 Cl4 Fe4 O16 S8 -","4","1","","Wei, Junnian; Riffel, Madeline N.; Diaconescu, Paula L.","Redox Control of Aluminum Ring-Opening Polymerization: A Combined Experimental and DFT Investigation","Macromolecules","2017","50","5","1847","","10.1021/acs.macromol.6b02402","","","0.71073","MoKα","","0.0729","0.0487","","","0.1152","0.1247","","","","","","1.022","","","","has coordinates","194861","2020-10-21","18:00:00",""
"1545389","9.4629","0.0004","15.2084","0.0007","15.6029","0.0006","90","","93.466","0.003","90","","2241.39","0.16","100","2","100","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C41 H68 F3 N7 O8 -","- C41 H68 F3 N7 O8 -","- C82 H136 F6 N14 O16 -","2","1","","Mendelsohn, Brian A.; Barnscher, Stuart D.; Snyder, Josh T.; An, Zili; Dodd, Jennifer M.; Dugal-Tessier, Julien","Investigation of Hydrophilic Auristatin Derivatives for Use in Antibody Drug Conjugates.","Bioconjugate chemistry","2017","28","2","371","381","10.1021/acs.bioconjchem.6b00530","","","1.54178","CuKα","","0.0325","0.0312","","","0.0913","0.0926","","","","","","1.048","","","","has coordinates","192853","2020-10-21","18:00:00",""
"1545390","12.9683","0.0006","6.3279","0.0003","15.6194","0.0006","90","","90.65","0.004","90","","1281.68","0.1","173","0.1","173","2","","","","","","","","3","P 1 21 1","P 2yb","4","","","","- C28 H44 O5 -","- C28 H44 O5 -","- C56 H88 O10 -","2","1","","Tian, Hai-Yan; Ruan, Li-Jun; Yu, Tong; Zheng, Qing-Fei; Chen, Nan-Hao; Wu, Rui-Bo; Zhang, Xiao-Qi; Wang, Lei; Jiang, Ren-Wang; Ye, Wen-Cai","Bufospirostenin A and Bufogargarizin C, Steroids with Rearranged Skeletons from the Toad Bufo bufo gargarizans.","Journal of natural products","2017","80","4","1182","1186","10.1021/acs.jnatprod.6b01018","","","1.54178","CuKα","","0.0498","0.0452","","","0.1152","0.1194","","","","","","1.031","","","","has coordinates","196137","2020-10-21","18:00:00",""
"1545391","8.42641","0.00016","10.9379","0.0002","21.7505","0.0004","90","","90","","90","","2004.68","0.06","293","2","293","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C24 H32 O3 -","- C24 H32 O3 -","- C96 H128 O12 -","4","1","","Tian, Hai-Yan; Ruan, Li-Jun; Yu, Tong; Zheng, Qing-Fei; Chen, Nan-Hao; Wu, Rui-Bo; Zhang, Xiao-Qi; Wang, Lei; Jiang, Ren-Wang; Ye, Wen-Cai","Bufospirostenin A and Bufogargarizin C, Steroids with Rearranged Skeletons from the Toad Bufo bufo gargarizans.","Journal of natural products","2017","80","4","1182","1186","10.1021/acs.jnatprod.6b01018","","","1.54184","CuKα","","0.0404","0.0383","","","0.1054","0.1069","","","","","","1.058","","","","has coordinates","215051","2020-10-21","18:00:00",""
"1545392","16.6466","0.0005","5.644","0.0002","13.4475","0.0004","90","","124.53","0.001","90","","1040.86","0.06","100","2","100","2","","","","","","","","3","C 1 2 1","C 2y","5","","","","- C11 H16 O3 -","- C11 H16 O3 -","- C44 H64 O12 -","4","1","","Leisering, Stefan; Riaño, Iker; Depken, Christian; Gross, Leona J.; Weber, Manuela; Lentz, Dieter; Zimmer, Reinhold; Stark, Christian B. W.; Breder, Alexander; Christmann, Mathias","Synthesis of (+)-Greek Tobacco Lactone via a Diastereoablative Epoxidation and a Selenium-Catalyzed Oxidative Cyclization.","Organic letters","2017","19","6","1478","1481","10.1021/acs.orglett.7b00484","","","0.71073","MoKα","","0.0421","0.0351","","","0.0748","0.0779","","","","","","1.079","","","","has coordinates","194877","2020-10-21","18:00:00",""
"1545393","9.2526","0.0004","9.5299","0.0004","11.8393","0.0004","90","","100.902","0.001","90","","1025.11","0.07","100","2","100","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C11 H16 O3 -","- C11 H16 O3 -","- C44 H64 O12 -","4","1","","Leisering, Stefan; Riaño, Iker; Depken, Christian; Gross, Leona J.; Weber, Manuela; Lentz, Dieter; Zimmer, Reinhold; Stark, Christian B. W.; Breder, Alexander; Christmann, Mathias","Synthesis of (+)-Greek Tobacco Lactone via a Diastereoablative Epoxidation and a Selenium-Catalyzed Oxidative Cyclization.","Organic letters","2017","19","6","1478","1481","10.1021/acs.orglett.7b00484","","","0.71073","MoKα","","0.0616","0.0404","","","0.0852","0.0931","","","","","","1.056","","","","has coordinates","194877","2020-10-21","18:00:00",""
"1545394","10.7132","0.0006","5.9764","0.0003","28.5202","0.0017","90","","93.062","0.004","90","","1823.44","0.18","100","2","100","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C17 H22 N2 O7 -","- C17 H22 N2 O7 -","- C68 H88 N8 O28 -","4","2","","Leisering, Stefan; Riaño, Iker; Depken, Christian; Gross, Leona J.; Weber, Manuela; Lentz, Dieter; Zimmer, Reinhold; Stark, Christian B. W.; Breder, Alexander; Christmann, Mathias","Synthesis of (+)-Greek Tobacco Lactone via a Diastereoablative Epoxidation and a Selenium-Catalyzed Oxidative Cyclization.","Organic letters","2017","19","6","1478","1481","10.1021/acs.orglett.7b00484","","","1.54178","CuKα","","0.0692","0.0469","","","0.0925","0.1002","","","","","","1.024","","","","has coordinates","194877","2020-10-21","18:00:00",""
"1545395","16.3801","0.0005","5.9374","0.0002","13.2895","0.0004","90","","123.907","0.001","90","","1072.69","0.06","100","2","100","2","","","","","","","","3","C 1 2 1","C 2y","5","","","","- C11 H18 O3 -","- C11 H18 O3 -","- C44 H72 O12 -","4","1","","Leisering, Stefan; Riaño, Iker; Depken, Christian; Gross, Leona J.; Weber, Manuela; Lentz, Dieter; Zimmer, Reinhold; Stark, Christian B. W.; Breder, Alexander; Christmann, Mathias","Synthesis of (+)-Greek Tobacco Lactone via a Diastereoablative Epoxidation and a Selenium-Catalyzed Oxidative Cyclization.","Organic letters","2017","19","6","1478","1481","10.1021/acs.orglett.7b00484","","","0.71073","MoKα","","0.0405","0.0343","","","0.0767","0.079","","","","","","1.07","","","","has coordinates","194877","2020-10-21","18:00:00",""
"1545396","7.454","0.0004","7.9852","0.0004","12.3366","0.0006","78.039","0.002","87.32","0.002","63.031","0.002","639.29","0.06","100","","100","","","","","","","","","5","P -1","-P 1","2","","","","- C16 H10 Cl N O2 -","- C16 H10 Cl N O2 -","- C32 H20 Cl2 N2 O4 -","2","1","","Song, Ping; Yu, Peng; Lin, Jin-Shun; Li, Yiqun; Yang, Ning-Yuan; Liu, Xin-Yuan","Transition-Metal-Free β-C-H Bond Carbonylation of Enamides or Amides with a Trifluoromethyl Group as CO Surrogate for the Synthesis of 1,3-Oxazin-6-ones.","Organic letters","2017","19","6","1330","1333","10.1021/acs.orglett.7b00178","","","1.54178","CuKα","","0.0303","0.0301","","","0.0764","0.0766","","","","","","1.054","","","","has coordinates","194878","2020-10-21","18:00:00",""
"1545397","7.3942","0.0002","9.7789","0.0003","12.8841","0.0009","104.277","0.007","95.031","0.007","106.485","0.007","853.17","0.09","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C20 H16 F3 N O2 -","- C20 H16 F3 N O2 -","- C40 H32 F6 N2 O4 -","2","1","","Song, Ping; Yu, Peng; Lin, Jin-Shun; Li, Yiqun; Yang, Ning-Yuan; Liu, Xin-Yuan","Transition-Metal-Free β-C-H Bond Carbonylation of Enamides or Amides with a Trifluoromethyl Group as CO Surrogate for the Synthesis of 1,3-Oxazin-6-ones.","Organic letters","2017","19","6","1330","1333","10.1021/acs.orglett.7b00178","","","1.54178","CuKα","","0.0909","0.0667","","","0.1586","0.1989","","","","","","1.249","","","","has coordinates","194878","2020-10-21","18:00:00",""
"1545398","10.4466","0.0006","4.1414","0.0002","29.012","0.0018","90","","94.984","0.003","90","","1250.42","0.12","100","2","100","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C16 H12 O5 -","- C16 H12 O5 -","- C64 H48 O20 -","4","1","","Chan, Chieh-Kai; Tsai, Yu-Lin; Chang, Meng-Yang","Construction of Nitrated Benzo[3.3.1]bicyclic Acetal/Ketal Core via Nitration of o-Carbonyl Allylbenzenes.","Organic letters","2017","19","6","1358","1361","10.1021/acs.orglett.7b00245","","","0.71073","MoKα","","0.1047","0.0542","","","0.1563","0.2068","","","","","","1.064","","","","has coordinates","194879","2020-10-21","18:00:00",""
"1545399","13.8557","0.0017","4.7327","0.0005","19.297","0.002","90","","98.406","0.004","90","","1251.8","0.2","100","2","100","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C12 H15 N O6 -","- C12 H15 N O6 -","- C48 H60 N4 O24 -","4","1","","Chan, Chieh-Kai; Tsai, Yu-Lin; Chang, Meng-Yang","Construction of Nitrated Benzo[3.3.1]bicyclic Acetal/Ketal Core via Nitration of o-Carbonyl Allylbenzenes.","Organic letters","2017","19","6","1358","1361","10.1021/acs.orglett.7b00245","","","0.71073","MoKα","","0.0486","0.0359","","","0.0858","0.092","","","","","","1.033","","","","has coordinates","194879","2020-10-21","18:00:00",""
"1545400","9.364","0.006","9.834","0.004","11.19","0.005","109.122","0.009","91.307","0.011","110.73","0.009","899.3","0.8","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","","","- C19 H15 F3 N2 O6 -","- C19 H15 F3 N2 O6 -","- C38 H30 F6 N4 O12 -","2","1","","Chan, Chieh-Kai; Tsai, Yu-Lin; Chang, Meng-Yang","Construction of Nitrated Benzo[3.3.1]bicyclic Acetal/Ketal Core via Nitration of o-Carbonyl Allylbenzenes.","Organic letters","2017","19","6","1358","1361","10.1021/acs.orglett.7b00245","","","0.71073","MoKα","","0.0873","0.0583","","","0.144","0.1632","","","","","","1.029","","","","has coordinates","194879","2020-10-21","18:00:00",""
"1545401","7.3857","0.0012","13.44","0.002","33.366","0.005","90","","90.245","0.008","90","","3312","0.9","100","2","100","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C18 H15 F N2 O6 -","- C18 H15 F N2 O6 -","- C144 H120 F8 N16 O48 -","8","2","","Chan, Chieh-Kai; Tsai, Yu-Lin; Chang, Meng-Yang","Construction of Nitrated Benzo[3.3.1]bicyclic Acetal/Ketal Core via Nitration of o-Carbonyl Allylbenzenes.","Organic letters","2017","19","6","1358","1361","10.1021/acs.orglett.7b00245","","","0.71073","MoKα","","0.0612","0.0412","","","0.1152","0.1439","","","","","","1.134","","","","has coordinates","194879","2020-10-21","18:00:00",""
"1545402","20.8281","0.0011","4.7751","0.0002","16.9177","0.0008","90","","90","","90","","1682.57","0.14","296","2","296","2","","","","","","","","4","P n a 21","P 2c -2n","33","","","","- C16 H17 N3 O8 -","- C16 H17 N3 O8 -","- C64 H68 N12 O32 -","4","1","","Chan, Chieh-Kai; Tsai, Yu-Lin; Chang, Meng-Yang","Construction of Nitrated Benzo[3.3.1]bicyclic Acetal/Ketal Core via Nitration of o-Carbonyl Allylbenzenes.","Organic letters","2017","19","6","1358","1361","10.1021/acs.orglett.7b00245","","","0.71073","MoKα","","0.0618","0.0432","","","0.1152","0.1427","","","","","","1.101","","","","has coordinates,has disorder","194879","2020-10-21","18:00:00",""
"1545403","11.694","0.004","14.981","0.006","13.855","0.005","90","","94.039","0.011","90","","2421.2","1.5","100","2","100","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C16 H11 N O2 -","- C16 H11 N O2 -","- C128 H88 N8 O16 -","8","2","","Chan, Chieh-Kai; Tsai, Yu-Lin; Chang, Meng-Yang","Construction of Nitrated Benzo[3.3.1]bicyclic Acetal/Ketal Core via Nitration of o-Carbonyl Allylbenzenes.","Organic letters","2017","19","6","1358","1361","10.1021/acs.orglett.7b00245","","","0.71073","MoKα","","0.0871","0.0515","","","0.1267","0.1476","","","","","","1.029","","","","has coordinates","214153","2020-10-21","18:00:00",""
"1545404","10.6032","0.0008","14.4941","0.0012","21.7899","0.0018","90","","91.159","0.003","90","","3348.1","0.5","100","2","100","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C15 H20 N2 O7 -","- C15 H20 N2 O7 -","- C120 H160 N16 O56 -","8","2","","Chan, Chieh-Kai; Tsai, Yu-Lin; Chang, Meng-Yang","Construction of Nitrated Benzo[3.3.1]bicyclic Acetal/Ketal Core via Nitration of o-Carbonyl Allylbenzenes.","Organic letters","2017","19","6","1358","1361","10.1021/acs.orglett.7b00245","","","0.71073","MoKα","","0.1143","0.0736","","","0.1945","0.2254","","","","","","1.035","","","","has coordinates","194879","2020-10-21","18:00:00",""
"1545405","4.6736","0.0006","17.606","0.002","19.17","0.003","90","","90","","90","","1577.4","0.4","100","2","100","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C15 H17 N3 O8 -","- C15 H17 N3 O8 -","- C60 H68 N12 O32 -","4","1","","Chan, Chieh-Kai; Tsai, Yu-Lin; Chang, Meng-Yang","Construction of Nitrated Benzo[3.3.1]bicyclic Acetal/Ketal Core via Nitration of o-Carbonyl Allylbenzenes.","Organic letters","2017","19","6","1358","1361","10.1021/acs.orglett.7b00245","","","0.71073","MoKα","","0.0326","0.0266","","","0.0744","0.0931","","","","","","1.188","","","","has coordinates","194879","2020-10-21","18:00:00",""
"1545406","4.8748","0.0008","17.909","0.003","23.571","0.004","90","","90","","90","","2057.8","0.6","99","2","99","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C11 H10 N2 O5 -","- C11 H10 N2 O5 -","- C88 H80 N16 O40 -","8","1","","Chan, Chieh-Kai; Tsai, Yu-Lin; Chang, Meng-Yang","Construction of Nitrated Benzo[3.3.1]bicyclic Acetal/Ketal Core via Nitration of o-Carbonyl Allylbenzenes.","Organic letters","2017","19","6","1358","1361","10.1021/acs.orglett.7b00245","","","0.71073","MoKα","","0.051","0.0385","","","0.0844","0.0903","","","","","","1.106","","","","has coordinates","194879","2020-10-21","18:00:00",""
"1545407","7.9012","0.0007","20.4333","0.0018","8.2112","0.0006","90","","93.865","0.007","90","","1322.66","0.19","169.8","","169.8","","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C13 H13 Cl F3 N O2 -","- C13 H13 Cl F3 N O2 -","- C52 H52 Cl4 F12 N4 O8 -","4","1","","Bai, Peng; Li, Ya-Qiong; Huang, Zhi-Zhen","A Four-Component Cascade C-H Functionalization/Cyclization/Nucleophilic Substitution Reaction To Construct α-Functionalized Tetrahydroquinolines by the Strategy of in Situ Directing Group Formation.","Organic letters","2017","19","6","1374","1377","10.1021/acs.orglett.7b00226","","","0.71073","MoKα","","0.0638","0.043","","","0.0922","0.1063","","","","","","1.031","","","","has coordinates","194882","2020-10-21","18:00:00",""
"1545408","8.7285","0.0001","11.2868","0.0001","42.4644","0.0004","90","","90","","90","","4183.46","0.07","93","2","93","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C41 H66 Na O13 -","- C41 H59 Na O13 -","- C164 H236 Na4 O52 -","4","1","","Igarashi, Yasuhiro; Matsuoka, Noriaki; In, Yasuko; Kataura, Tetsushi; Tashiro, Etsu; Saiki, Ikuo; Sudoh, Yuri; Duangmal, Kannika; Thamchaipenet, Arinthip","Nonthmicin, a Polyether Polyketide Bearing a Halogen-Modified Tetronate with Neuroprotective and Antiinvasive Activity from Actinomadura sp.","Organic letters","2017","19","6","1406","1409","10.1021/acs.orglett.7b00318","","","1.54184","CuKα","","0.0379","0.0359","","","0.1061","0.1082","","","","","","1.027","","","","has coordinates","194885","2020-10-21","18:00:00",""
"1545409","7.6922","0.0015","7.9904","0.0016","24.276","0.005","90","","93.51","0.03","90","","1489.3","0.5","113","2","113","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","Pegaharmine F","","","- C17 H18 N2 O4 -","- C17 H18 N2 O4 -","- C68 H72 N8 O16 -","4","1","","Wang, Kai-Bo; Li, Da-Hong; Bao, Yu; Cao, Fei; Wang, Wen-Jing; Lin, Clement; Bin, Wen; Bai, Jiao; Pei, Yue-Hu; Jing, Yong-Kui; Yang, Danzhou; Li, Zhan-Lin; Hua, Hui-Ming","Structurally Diverse Alkaloids from the Seeds of Peganum harmala.","Journal of natural products","2017","80","2","551","559","10.1021/acs.jnatprod.6b01146","","","0.71073","MoKα","","0.0644","0.0516","","","0.1266","0.1361","","","","","","1.051","","","","has coordinates","193204","2020-10-21","18:00:00",""
"1545410","8.3072","0.0002","8.03313","0.00019","12.8765","0.0003","90","","101.571","0.003","90","","841.82","0.04","123.01","0.1","123.01","0.1","","","","","","","","3","P 1 21 1","P 2yb","4","","","","- C19 H20 O6 -","- C19 H20 O6 -","- C38 H40 O12 -","2","1","","Nyandoro, Stephen S.; Munissi, Joan J. E.; Kombo, Msim; Mgina, Clarence A.; Pan, Fangfang; Gruhonjic, Amra; Fitzpatrick, Paul; Lu, Yu; Wang, Bin; Rissanen, Kari; Erdélyi, Máté","Flavonoids from Erythrina schliebenii.","Journal of natural products","2017","80","2","377","383","10.1021/acs.jnatprod.6b00839","","","1.5418","CuKα","","0.031","0.0306","","","0.0834","0.084","","","","","","1.046","","","","has coordinates","193205","2020-10-21","18:00:00",""
"1545411","6.92797","0.00019","14.3084","0.0003","37.5013","0.0019","90","","90","","90","","3717.4","0.2","123.01","0.1","123.01","0.1","","","","","","","","3","P b c a","-P 2ac 2ab","61","","","","- C22 H22 O6 -","- C22 H22 O6 -","- C176 H176 O48 -","8","1","","Nyandoro, Stephen S.; Munissi, Joan J. E.; Kombo, Msim; Mgina, Clarence A.; Pan, Fangfang; Gruhonjic, Amra; Fitzpatrick, Paul; Lu, Yu; Wang, Bin; Rissanen, Kari; Erdélyi, Máté","Flavonoids from Erythrina schliebenii.","Journal of natural products","2017","80","2","377","383","10.1021/acs.jnatprod.6b00839","","","1.54184","CuKα","","0.0592","0.0485","","","0.1263","0.1344","","","","","","1.1","","","","has coordinates,has disorder","193206","2020-10-21","18:00:00",""
"1545412","10.888","0.0002","15.8264","0.0002","9.5461","0.0002","90","","90","","90","","1644.96","0.05","296","","296","","","","","","","","","3","P 21 21 2","P 2 2ab","18","","","","- C19 H22 O6 -","- C19 H22 O6 -","- C76 H88 O24 -","4","1","","Zhao, Jin-Xin; Fan, Yao-Yue; Xu, Jin-Biao; Gan, Li-She; Xu, Cheng-Hui; Ding, Jian; Yue, Jian-Min","Diterpenoids and Lignans from Cephalotaxus fortunei.","Journal of natural products","2017","80","2","356","362","10.1021/acs.jnatprod.6b00802","","","1.54178","CuKα","","0.0384","0.038","","","0.1103","0.1108","","","","","","1.058","","","","has coordinates","193207","2020-10-21","18:00:00",""
"1545413","9.5867","0.0001","10.2119","0.0002","17.6325","0.0003","90","","90","","90","","1726.19","0.05","130","","130","","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C19 H26 O6 -","- C19 H26 O6 -","- C76 H104 O24 -","4","1","","Zhao, Jin-Xin; Fan, Yao-Yue; Xu, Jin-Biao; Gan, Li-She; Xu, Cheng-Hui; Ding, Jian; Yue, Jian-Min","Diterpenoids and Lignans from Cephalotaxus fortunei.","Journal of natural products","2017","80","2","356","362","10.1021/acs.jnatprod.6b00802","","","1.54178","CuKα","","0.0295","0.0292","","","0.0758","0.0761","","","","","","1.089","","","","has coordinates","193208","2020-10-21","18:00:00",""
"1545414","8.363","0.0004","15.0592","0.0006","11.8316","0.0006","90","","100.073","0.0015","90","","1467.1","0.12","123","","123","","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C15 H16 Br N S2 -","- C15 H16 Br N S2 -","- C60 H64 Br4 N4 S8 -","4","1","","Shimizu, Akinori; Inoue, Yoshihisa; Mori, Tadashi","Protonation-Induced Sign Inversion of the Cotton Effects of Pyridinophanes. A Combined Experimental and Theoretical Study.","The journal of physical chemistry. A","2017","121","5","977","985","10.1021/acs.jpca.6b12287","","","0.71075","MoKα","","","0.0739","","","","0.0811","","","","","","1.083","","","","has coordinates","193318","2020-10-21","18:00:00",""
"1545415","24.7765","0.0003","24.7765","0.0003","24.7765","0.0003","90","","90","","90","","15209.7","0.3","323","","","","","","","","","","","4","F d -3 m :2","-F 4vw 2vw 3","227","","","Faujasite-NaY","- Al56 Na56 O384 Si136 -","- Al55.9872 Na47.9654 O401.892 Sa0.68352 Si136.013 -","- Al55.9872 Na47.9654 O401.892 Sa0.68352 Si136.013 -","1","0.00520833","","Perez, Carlos A. C.; de Resende, Neuman S.; Salim, Vera M. M.; Schmal, Martin","Water Interaction in Faujasite Probed by in Situ X-ray Powder Diffraction","The Journal of Physical Chemistry C","2017","121","5","2755","","10.1021/acs.jpcc.6b11111","","","","","","","","","","","","","","","","","","","","","has coordinates","193319","2020-10-21","18:00:00",""
"1545416","24.6654","0.0004","24.6654","0.0004","24.6654","0.0004","90","","90","","90","","15006","0.4","183","","","","","","","","","","","5","F d -3 m :2","-F 4vw 2vw 3","227","","","Faujasite-NaY","- Al56 H600 Na56 O684 Si136 -","- Al55.9872 Na56.9549 O556.118 Sa4.4 Si136.013 -","- Al55.9872 Na56.9549 O556.118 Sa4.4 Si136.013 -","1","0.00520833","","Perez, Carlos A. C.; de Resende, Neuman S.; Salim, Vera M. M.; Schmal, Martin","Water Interaction in Faujasite Probed by in Situ X-ray Powder Diffraction","The Journal of Physical Chemistry C","2017","121","5","2755","","10.1021/acs.jpcc.6b11111","","","","","","","","","","","","","","","","","","","","","has coordinates","193320","2020-10-21","18:00:00",""
"1545417","24.6792","0.0003","24.6792","0.0003","24.6792","0.0003","90","","90","","90","","15031.2","0.3","323","","","","","","","","","","","5","F d -3 m :2","-F 4vw 2vw 3","227","","","Faujasite-NaY","- Al56 H300 Na56 O534 Si136 -","- Al55.9872 Na56.3443 O460.358 Sa2.01344 Si136.013 -","- Al55.9872 Na56.3443 O460.358 Sa2.01344 Si136.013 -","1","0.00520833","","Perez, Carlos A. C.; de Resende, Neuman S.; Salim, Vera M. M.; Schmal, Martin","Water Interaction in Faujasite Probed by in Situ X-ray Powder Diffraction","The Journal of Physical Chemistry C","2017","121","5","2755","","10.1021/acs.jpcc.6b11111","","","","","","","","","","","","","","","","","","","","","has coordinates","193321","2020-10-21","18:00:00",""
"1545418","10.4528","0.00017","6.38673","0.0001","10.87638","0.00019","90","","90","","90","","726.1","0.02","293","","293","","","","","","","","","5","P n m a","-P 2ac 2n","62","","","","- Co F Li2 O4 P -","- Co F Li2 O4 P -","- Co8 F8 Li16 O32 P8 -","8","1","","Fedotov, Stanislav S.; Kabanov, Artem A.; Kabanova, Natalia A.; Blatov, Vladislav A.; Zhugayevych, Andriy; Abakumov, Artem M.; Khasanova, Nellie R.; Antipov, Evgeny V.","Crystal Structure and Li-Ion Transport in Li2CoPO4F High-Voltage Cathode Material for Li-Ion Batteries","The Journal of Physical Chemistry C","2017","121","6","3194","","10.1021/acs.jpcc.6b11027","powder diffraction","neutron","1.494","neutrons","","0.0145","0.0145","","0.0186","0.0186","","","","1.82","","","","","","","has coordinates","288316","2023-12-14","16:51:45",""
"1545419","16.5773","0.0012","9.9339","0.0007","20.9573","0.0014","90","","100.15","0.001","90","","3397.2","0.4","273","2","273","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C36 H44 N O Si2 Tm -","- C36 H44 N O Si2 Tm -","- C144 H176 N4 O4 Si8 Tm4 -","4","1","","Lin, Fei; Wang, Meiyan; Pan, Yupeng; Tang, Tao; Cui, Dongmei; Liu, Bo","Sequence and Regularity Controlled Coordination Copolymerization of Butadiene and Styrene: Strategy and Mechanism","Macromolecules","2017","50","3","849","","10.1021/acs.macromol.6b02413","","","0.71073","MoKα","","0.0531","0.0344","","","0.0849","0.0946","","","","","","1.05","","","","has coordinates","193324","2020-10-21","18:00:00",""
"1545420","9.3221","0.0008","14.4831","0.0012","11.779","0.001","90","","99.289","0.002","90","","1569.5","0.2","273","2","273","2","","","","","","","","6","P 1 c 1","P -2yc","7","","","","- C31 H44 N O Sc Si2 -","- C31 H44 N O Sc Si2 -","- C62 H88 N2 O2 Sc2 Si4 -","2","1","","Lin, Fei; Wang, Meiyan; Pan, Yupeng; Tang, Tao; Cui, Dongmei; Liu, Bo","Sequence and Regularity Controlled Coordination Copolymerization of Butadiene and Styrene: Strategy and Mechanism","Macromolecules","2017","50","3","849","","10.1021/acs.macromol.6b02413","","","0.71073","MoKα","","0.0804","0.0528","","","0.0993","0.1134","","","","","","1.028","","","","has coordinates","193325","2020-10-21","18:00:00",""
"1545421","30.8999","0.0007","4.6942","0.0001","28.5604","0.0007","90","","120.027","0.001","90","","3586.71","0.15","296","2","296","2","","","","","","","","3","C 1 2/c 1","-C 2yc","15","","","","- C36 H36 O8 -","- C36 H36 O8 -","- C144 H144 O32 -","4","0.5","","Heo, Jung-Moo; Kim, Youngmee; Han, Seulki; Joung, Joonyoung F.; Lee, Sang-hwa; Han, Sejin; Noh, Jaegeun; Kim, Jaeyong; Park, Sungnam; Lee, Haiwon; Choi, Yoon Mi; Jung, Young-Sik; Kim, Jong-Man","Chromogenic Tubular Polydiacetylenes from Topochemical Polymerization of Self-Assembled Macrocyclic Diacetylenes","Macromolecules","2017","50","3","900","","10.1021/acs.macromol.6b02493","","","0.71073","MoKα","","0.0709","0.0623","","","0.1518","0.1565","","","","","","1.068","","","","has coordinates","193326","2020-10-21","18:00:00",""
"1545422","17.4115","0.0005","14.1588","0.0004","9.8695","0.0003","90","","101.432","0.0013","90","","2384.82","0.12","296","2","296","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C52 H68 O8 -","- C52 H68 O8 -","- C104 H136 O16 -","2","0.5","","Heo, Jung-Moo; Kim, Youngmee; Han, Seulki; Joung, Joonyoung F.; Lee, Sang-hwa; Han, Sejin; Noh, Jaegeun; Kim, Jaeyong; Park, Sungnam; Lee, Haiwon; Choi, Yoon Mi; Jung, Young-Sik; Kim, Jong-Man","Chromogenic Tubular Polydiacetylenes from Topochemical Polymerization of Self-Assembled Macrocyclic Diacetylenes","Macromolecules","2017","50","3","900","","10.1021/acs.macromol.6b02493","","","0.71073","MoKα","","0.1177","0.0566","","","0.1471","0.1791","","","","","","0.993","","","","has coordinates","193327","2020-10-21","18:00:00",""
"1545423","5.0309","0.0002","18.8398","0.0006","29.826","0.0009","105.524","0.0018","92.428","0.0019","97.0367","0.0019","2694.93","0.16","296","2","296","2","","","","","","","","3","P -1","-P 1","2","","","","- C48 H60 O8 -","- C48 H60 O8 -","- C96 H120 O16 -","2","1","","Heo, Jung-Moo; Kim, Youngmee; Han, Seulki; Joung, Joonyoung F.; Lee, Sang-hwa; Han, Sejin; Noh, Jaegeun; Kim, Jaeyong; Park, Sungnam; Lee, Haiwon; Choi, Yoon Mi; Jung, Young-Sik; Kim, Jong-Man","Chromogenic Tubular Polydiacetylenes from Topochemical Polymerization of Self-Assembled Macrocyclic Diacetylenes","Macromolecules","2017","50","3","900","","10.1021/acs.macromol.6b02493","","","0.71073","MoKα","","0.1499","0.0962","","","0.219","0.2455","","","","","","1.071","","","","has coordinates","193328","2020-10-21","18:00:00",""
"1545424","5.3252","0.0002","14.5283","0.0004","14.8739","0.0005","63.9253","0.0018","87.608","0.002","79.959","0.002","1016.99","0.06","296","2","296","2","","","","","","","","3","P -1","-P 1","2","","","","- C40 H38 O8 -","- C40 H38 O8 -","- C40 H38 O8 -","1","0.5","","Heo, Jung-Moo; Kim, Youngmee; Han, Seulki; Joung, Joonyoung F.; Lee, Sang-hwa; Han, Sejin; Noh, Jaegeun; Kim, Jaeyong; Park, Sungnam; Lee, Haiwon; Choi, Yoon Mi; Jung, Young-Sik; Kim, Jong-Man","Chromogenic Tubular Polydiacetylenes from Topochemical Polymerization of Self-Assembled Macrocyclic Diacetylenes","Macromolecules","2017","50","3","900","","10.1021/acs.macromol.6b02493","","","0.71073","MoKα","","0.1192","0.0776","","","0.2103","0.2308","","","","","","1.094","","","","has coordinates","193329","2020-10-21","18:00:00",""
"1545425","6.6697","0.0003","12.9985","0.0005","10.514","0.0004","90","","92.171","0.001","90","","910.87","0.06","150","2","150","2","","","","","","","synthesized by the authors","4","P 1 21 1","P 2yb","4","","","","- C19 H26 N2 O5 -","- C19 H26 N2 O5 -","- C38 H52 N4 O10 -","2","1","","Amatov, Tynchtyk; Pohl, Radek; Cisařová, Ivana; Jahn, Ullrich","Sequential Oxidative and Reductive Radical Cyclization Approach toward Asperparaline C and Synthesis of Its 8-Oxo Analogue.","Organic letters","2017","19","5","1152","1155","10.1021/acs.orglett.7b00187","","","1.54178","CuKα","","0.0337","0.0318","","","0.0771","0.0786","","","","","","1.049","","","","has coordinates","193348","2020-10-21","18:00:00",""
"1545426","8.6924","0.0002","9.2483","0.0002","21.1651","0.0005","90","","90","","90","","1701.46","0.07","150","2","150","2","","","","","","","synthesized by the authors","4","P 21 21 21","P 2ac 2ab","19","","","","- C18 H24 N2 O3 -","- C18 H24 N2 O3 -","- C72 H96 N8 O12 -","4","1","","Amatov, Tynchtyk; Pohl, Radek; Cisařová, Ivana; Jahn, Ullrich","Sequential Oxidative and Reductive Radical Cyclization Approach toward Asperparaline C and Synthesis of Its 8-Oxo Analogue.","Organic letters","2017","19","5","1152","1155","10.1021/acs.orglett.7b00187","","","0.71073","MoKα","","0.0338","0.0317","","","0.0829","0.0849","","","","","","1.041","","","","has coordinates","193349","2020-10-21","18:00:00",""
"1545427","11.627","0.002","32.192","0.006","8.9821","0.0018","90","","90","","90","","3362","1.1","100","2","100","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C31 H40 O14 -","- C31 H40 O14 -","- C124 H160 O56 -","4","1","","Song, Jian; Liu, Ye; Zhou, Ming; Cao, Hui; Peng, Xiao-Gang; Liang, Jing-Jing; Zhao, Xiao-Ya; Xiang, Ming; Ruan, Han-Li","Spiroschincarins A-E: Five Spirocyclic Nortriterpenoids from the Fruit of Schisandra incarnata.","Organic letters","2017","19","5","1196","1199","10.1021/acs.orglett.7b00250","","","1.54178","CuKα","","0.0727","0.0713","","","0.1973","0.1988","","","","","","1.073","","","","has coordinates","193350","2020-10-21","18:00:00",""
"1545428","8.6631","0.0005","12.2511","0.0006","27.7132","0.0016","90","","90","","90","","2941.3","0.3","100","2","100","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C30 H38 O12 -","- C30 H38 O12 -","- C120 H152 O48 -","4","1","","Song, Jian; Liu, Ye; Zhou, Ming; Cao, Hui; Peng, Xiao-Gang; Liang, Jing-Jing; Zhao, Xiao-Ya; Xiang, Ming; Ruan, Han-Li","Spiroschincarins A-E: Five Spirocyclic Nortriterpenoids from the Fruit of Schisandra incarnata.","Organic letters","2017","19","5","1196","1199","10.1021/acs.orglett.7b00250","","","1.54178","CuKα","","0.0618","0.0522","","","0.1344","0.1408","","","","","","1.04","","","","has coordinates","193350","2020-10-21","18:00:00",""
"1545429","11.8946","0.0009","18.6719","0.0014","7.5647","0.0005","90","","90","","90","","1680.1","0.2","223","","223.15","","","","","","","","","3","P c a 21","P 2c -2ac","29","","","","- C21 H20 O3 -","- C21 H20 O3 -","- C84 H80 O12 -","4","1","","Kim, Ju Hyun; Song, Taemoon; Chung, Young Keun","Rhodium-Catalyzed Intermolecular Carbonylative [2 + 2 + 1] Cycloaddition of Alkynes Using Alcohol as the Carbon Monoxide Source for the Formation of Cyclopentenones.","Organic letters","2017","19","5","1248","1251","10.1021/acs.orglett.7b00458","","","0.71073","MoKα","","0.0714","0.0442","","","0.1079","0.1392","","","","","","0.9101","","","","has coordinates","278046","2022-09-21","15:45:40",""
"1545430","10.697","0.003","14.116","0.007","18.102","0.009","90","","90","","90","","2733","2","293","2","293","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C35 H26 N O2 P -","- C35 H26 N O2 P -","- C140 H104 N4 O8 P4 -","4","1","","Xu, Jian; Yu, Xiaoxia; Song, Qiuling","Silver-Catalyzed Radical-Involved Cascade Cyclization of Diphenylphosphine with Cinnamamides: Access to 2-Phosphinoyl-3H-pyrrolo[1,2-a]indoles.","Organic letters","2017","19","5","980","983","10.1021/acs.orglett.6b03713","","x-ray","0.71073","MoKα","","0.1866","0.0741","","","0.1436","0.2004","","","","","","0.975","","","","has coordinates","193352","2020-10-21","18:00:00",""
"1545431","9.239","0.003","9.369","0.002","13.014","0.003","69.214","0.006","85.843","0.009","82.923","0.011","1044.6","0.5","153","2","153","2","","","","","","","","5","P 1","P 1","1","","","","- C11 H9.5 F1.5 O2 S -","- C11 H9.5 F1.5 O2 S -","- C44 H38 F6 O8 S4 -","4","4","","Zhao, Bo-Liang; Du, Da-Ming","Enantioselective Squaramide-Catalyzed Trifluoromethylthiolation-Sulfur-Michael/Aldol Cascade Reaction: One-Pot Synthesis of CF3S-Containing Spiro Cyclopentanone-Thiochromanes.","Organic letters","2017","19","5","1036","1039","10.1021/acs.orglett.6b03846","","","0.71073","MoKα","","0.0353","0.0327","","","0.0695","0.0708","","","","","","1","","","","has coordinates","198632","2020-10-21","18:00:00",""
"1545432","10.906","0.002","13.6","0.002","24.805","0.005","90","","92.535","0.007","90","","3675.5","1.1","293","2","293","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C46 H38 N4 O3 -","- C46 H38 N4 O3 -","- C184 H152 N16 O12 -","4","1","","Li, Yi-Jin; Yan, Na; Liu, Chun-Hua; Yu, Yang; Zhao, Yu-Long","Gold/Copper-Co-catalyzed Tandem Reactions of 2-Alkynylanilines: A Synthetic Strategy for the C2-Quaternary Indolin-3-ones.","Organic letters","2017","19","5","1160","1163","10.1021/acs.orglett.7b00200","","","0.71073","MoKα","","0.0539","0.0465","","","0.1361","0.1461","","","","","","1.021","","","","has coordinates","193354","2020-10-21","18:00:00",""
"1545433","6.0241","0.0005","10.6352","0.0008","26.263","0.002","90","","90","","90","","1682.6","0.2","293","2","293.15","","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C19 H20 Br N O -","- C19 H20 Br N O -","- C76 H80 Br4 N4 O4 -","4","1","","Yuan, Qianjia; Liu, Delong; Zhang, Wanbin","Iridium-Catalyzed Asymmetric Hydrogenation of β,γ-Unsaturated γ-Lactams: Scope and Mechanistic Studies.","Organic letters","2017","19","5","1144","1147","10.1021/acs.orglett.7b00171","","","0.71073","MoKα","","0.0574","0.0376","","","0.0683","0.0749","","","","","","1.035","","","","has coordinates","193355","2020-10-21","18:00:00",""
"1545434","22.3549","0.0008","14.4762","0.0005","16.9648","0.0006","90","","121.65","0.0008","90","","4673.5","0.3","200","2","200","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C26 H25 N3 O3 S -","- C26 H25 N3 O3 S -","- C208 H200 N24 O24 S8 -","8","1","","Zeng, Zhongyi; Jin, Hongming; Xie, Jin; Tian, Bing; Rudolph, Matthias; Rominger, Frank; Hashmi, A Stephen K","α-Imino Gold Carbenes from 1,2,4-Oxadiazoles: Atom-Economical Access to Fully Substituted 4-Aminoimidazoles.","Organic letters","2017","19","5","1020","1023","10.1021/acs.orglett.7b00001","","","0.71073","MoKα","","0.0631","0.045","","","0.1202","0.1304","","","","","","1.057","","","","has coordinates","193356","2020-10-21","18:00:00",""
"1545435","16.7256","0.001","12.4161","0.0007","25.1262","0.0014","90","","90","","90","","5217.9","0.5","100","","100","","","","","","","","","4","P c a 21","P 2c -2ac","29","","","","- C13 H17 N O3 -","- C13 H17 N O3 -","- C208 H272 N16 O48 -","16","4","","Klare, Hendrik F. T.; Goldberg, Alexander F. G.; Duquette, Douglas C.; Stoltz, Brian M.","Oxidative Fragmentations and Skeletal Rearrangements of Oxindole Derivatives.","Organic letters","2017","19","5","988","991","10.1021/acs.orglett.6b03789","","","0.71073","MoKα","","0.0737","0.0452","","","0.081","0.089","","","","","","1.007","","","","has coordinates","193357","2020-10-21","18:00:00",""
"1545436","5.5051","0.0003","9.661","0.0004","12.4968","0.0006","81.35","0.004","80.175","0.004","82.598","0.004","643.8","0.05","150","0.1","150","0.1","","","","","","","","5","P -1","-P 1","2","","","","- C13 H13 F2 N O5 -","- C13 H13 F2 N O5 -","- C26 H26 F4 N2 O10 -","2","1","","Liao, Jianhua; Fan, Lianfeng; Guo, Wei; Zhang, Zhenming; Li, Jiawei; Zhu, Chuanle; Ren, Yanwei; Wu, Wanqing; Jiang, Huanfeng","Palladium-Catalyzed Fluoroalkylative Cyclization of Olefins.","Organic letters","2017","19","5","1008","1011","10.1021/acs.orglett.6b03865","","x-ray","1.54184","CuKα","","0.0698","0.0684","","","0.168","0.1688","","","","","","1.052","","","","has coordinates","193358","2020-10-21","18:00:00",""
"1545437","7.7792","0.001","11.9136","0.0013","25.989","0.003","90","","90","","90","","2408.6","0.5","293","2","293","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C12 H12 Br N O3 -","- C12 H12 Br N O3 -","- C96 H96 Br8 N8 O24 -","8","1","","Zhang, Zhi-Qiang; Chen, Tao; Zhang, Fu-Min","Copper-Assisted Direct Nitration of Cyclic Ketones with Ceric Ammonium Nitrate for the Synthesis of Tertiary α-Nitro-α-substituted Scaffolds.","Organic letters","2017","19","5","1124","1127","10.1021/acs.orglett.7b00040","","x-ray","0.71073","MoKα","","0.1852","0.1015","","","0.243","0.3221","","","","","","0.974","","","","has coordinates","193359","2020-10-21","18:00:00",""
"1545438","7.519","0.0006","8.0121","0.0006","15.9597","0.0011","90","","103.624","0.007","90","","934.41","0.12","297","2","297","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C12 H9 N O2 -","- C12 H9 N O2 -","- C48 H36 N4 O8 -","4","1","","Senadi, Gopal Chandru; Lu, Ting-Yi; Dhandabani, Ganesh Kumar; Wang, Jeh-Jeng","Palladium-Catalyzed Double-Isocyanide Insertion via Oxidative N-O Cleavage of Acetyl Oximes: Syntheses of 2H-Pyrrol-2-imines.","Organic letters","2017","19","5","1172","1175","10.1021/acs.orglett.7b00208","","x-ray","0.71073","MoKα","","0.1021","0.0657","","","0.1739","0.2025","","","","","","1.044","","","","has coordinates","193360","2020-10-21","18:00:00",""
"1545439","10.5287","0.0007","13.0679","0.0008","14.2874","0.0008","90","","95.724","0.002","90","","1956","0.2","297","2","297","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C20 H27 N3 O2 -","- C20 H27 N3 O2 -","- C80 H108 N12 O8 -","4","1","","Senadi, Gopal Chandru; Lu, Ting-Yi; Dhandabani, Ganesh Kumar; Wang, Jeh-Jeng","Palladium-Catalyzed Double-Isocyanide Insertion via Oxidative N-O Cleavage of Acetyl Oximes: Syntheses of 2H-Pyrrol-2-imines.","Organic letters","2017","19","5","1172","1175","10.1021/acs.orglett.7b00208","","x-ray","0.71073","MoKα","","0.1021","0.0614","","","0.1499","0.1775","","","","","","1.052","","","","has coordinates","193361","2020-10-21","18:00:00",""
"1545440","9.6338","0.0003","11.7849","0.0004","14.3792","0.0004","103.583","0.002","97.723","0.002","92.687","0.002","1567.24","0.09","180","2","180","2","","","","","","","","6","P -1","-P 1","2","","","","- C32 H35 Br N3 O4 S2 -","- C32 H35 Br N3 O4 S2 -","- C64 H70 Br2 N6 O8 S4 -","2","1","","Crespin, Lorène; Biancalana, Lorenzo; Morack, Tobias; Blakemore, David C.; Ley, Steven V.","One-Pot Acid-Catalyzed Ring-Opening/Cyclization/Oxidation of Aziridines with N-Tosylhydrazones: Access to 1,2,4-Triazines.","Organic letters","2017","19","5","1084","1087","10.1021/acs.orglett.7b00101","","","1.54178","CuKα","","0.0653","0.0486","","","0.1159","0.1266","","","","","","1.026","","","","has coordinates","193362","2020-10-21","18:00:00",""
"1545441","6.441","0.003","6.505","0.003","25.382","0.014","90","","93.324","0.014","90","","1061.7","0.9","293","2","293","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C12 H14 O3 -","- C12 H14 O3 -","- C48 H56 O12 -","4","1","","Tao, Cheng; Zhang, Jing; Chen, Xiaoming; Wang, Huifei; Li, Yun; Cheng, Bin; Zhai, Hongbin","Formal Synthesis of (±)-Aplykurodinone-1 through a Hetero-Pauson-Khand Cycloaddition Approach.","Organic letters","2017","19","5","1056","1059","10.1021/acs.orglett.7b00068","","","0.71073","MoKα","","0.1526","0.1314","","","0.4358","0.5268","","","","","","1","","","","has coordinates","211418","2020-10-21","18:00:00",""
"1545442","20.31","0.003","9.9126","0.0015","22.301","0.004","90","","105.025","0.002","90","","4336.3","1.2","93","","93","","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C22 H25 N5 O4 S -","- C22 H25 N5 O4 S -","- C176 H200 N40 O32 S8 -","8","1","","Kaneda, Kyosuke; Naruse, Risa; Yamamoto, Syota","2-Aminobenzenesulfonamide-Containing Cyclononyne as Adjustable Click Reagent for Strain-Promoted Azide-Alkyne Cycloaddition.","Organic letters","2017","19","5","1096","1099","10.1021/acs.orglett.7b00123","","","0.71075","MoKα","","0.0478","0.0417","","","0.1032","0.1084","","","","","","1.054","","","","has coordinates","193364","2020-10-21","18:00:00",""
"1545443","9.067","0.003","8.352","0.003","13.405","0.004","90","","90.005","0.005","90","","1015.1","0.6","93","2","93","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C10 H10 N2 O2 S -","- C10 H10 N2 O2 S -","- C40 H40 N8 O8 S4 -","4","2","","Kaneda, Kyosuke; Naruse, Risa; Yamamoto, Syota","2-Aminobenzenesulfonamide-Containing Cyclononyne as Adjustable Click Reagent for Strain-Promoted Azide-Alkyne Cycloaddition.","Organic letters","2017","19","5","1096","1099","10.1021/acs.orglett.7b00123","","","0.71075","MoKα","","0.0406","0.0384","","","0.0903","0.0918","","","","","","1.059","","","","has coordinates","193365","2020-10-21","18:00:00",""
"1545444","16.7882","0.0007","10.054","0.0004","17.3664","0.0007","90","","91.709","0.002","90","","2929.9","0.2","147","2","147","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C29 H21 Br2 N O11 -","- C29 H21 Br2 N O11 -","- C116 H84 Br8 N4 O44 -","4","2","","Ghavre, Mukund; Froese, Jordan; Murphy, Brennan; Simionescu, Razvan; Hudlicky, Tomas","A Formal Approach to Xylosmin and Flacourtosides E and F: Chemoenzymatic Total Synthesis of the Hydroxylated Cyclohexenone Carboxylic Acid Moiety of Xylosmin.","Organic letters","2017","19","5","1156","1159","10.1021/acs.orglett.7b00194","","","1.54178","CuKα","","0.0392","0.0385","","","0.0936","0.094","","","","","","1.154","","","","has coordinates,has disorder","193366","2020-10-21","18:00:00",""
"1545445","10.43","0.005","11.137","0.005","12.934","0.005","68.18","0.03","67.74","0.03","70.59","0.03","1258.3","1","571","2","571","2","","","","","","","","5","P -1","-P 1","2","","","","- C28 H26 N2 O5 S -","- C28 H26 N2 O5 S -","- C56 H52 N4 O10 S2 -","2","1","","Zhang, Shuyao; Cheng, Beiming; Wang, Shen-An; Zhou, Ling; Tung, Chen-Ho; Wang, Jianwu; Xu, Zhenghu","Gold-Catalyzed Cycloisomerization/1,5-H Migration/Diels-Alder Reaction Cascade: Synthesis of Complex Nitrogen-Containing Heterocycles.","Organic letters","2017","19","5","1072","1075","10.1021/acs.orglett.7b00090","","","0.71073","MoKα","","0.1289","0.064","","","0.1543","0.1907","","","","","","1.016","","","","has coordinates","193367","2020-10-21","18:00:00",""
"1545446","7.028","0.0008","19.93","0.002","33.434","0.003","90","","90","","90","","4683","0.8","296","2","296","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C9 H18 B10 N2 O -","- C9 H18 B10 N2 O -","- C108 H216 B120 N24 O12 -","12","3","","Li, Huan-Huan; Bai, Fan; Yan, Hong; Lu, Chang-Sheng","Base-Promoted Decarboxylative Azo-Coupling: Construction of Unsymmetrical Azocarboranes.","Organic letters","2017","19","4","862","865","10.1021/acs.orglett.7b00013","","","0.71073","MoKα","","0.1876","0.0851","","","0.2048","0.2616","","","","","","0.941","","","","has coordinates,has disorder","217275","2020-10-21","18:00:00",""
"1545447","7.0584","0.0008","12.616","0.0014","21.271","0.003","90","","97.699","0.002","90","","1877.1","0.4","296","2","296","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C12 H24 B10 N2 -","- C12 H24 B10 N2 -","- C48 H96 B40 N8 -","4","1","","Li, Huan-Huan; Bai, Fan; Yan, Hong; Lu, Chang-Sheng","Base-Promoted Decarboxylative Azo-Coupling: Construction of Unsymmetrical Azocarboranes.","Organic letters","2017","19","4","862","865","10.1021/acs.orglett.7b00013","","","0.71073","MoKα","","0.0745","0.0518","","","0.1414","0.1573","","","","","","1.041","","","","has coordinates","193368","2020-10-21","18:00:00",""
"1545448","7.547","0.003","20.473","0.009","9.936","0.004","90","","97.113","0.007","90","","1523.4","1.1","296","2","296","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C8 H15 B10 Br N2 -","- C8 H15 B10 Br N2 -","- C32 H60 B40 Br4 N8 -","4","1","","Li, Huan-Huan; Bai, Fan; Yan, Hong; Lu, Chang-Sheng","Base-Promoted Decarboxylative Azo-Coupling: Construction of Unsymmetrical Azocarboranes.","Organic letters","2017","19","4","862","865","10.1021/acs.orglett.7b00013","","","0.71073","MoKα","","0.0751","0.0507","","","0.1392","0.1526","","","","","","1.007","","","","has coordinates","193368","2020-10-21","18:00:00",""
"1545449","7.5719","0.0014","20.281","0.004","10.3153","0.0018","90","","95.029","0.003","90","","1578","0.5","296","2","296","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C10 H16 B10 N2 -","- C10 H16 B10 N2 -","- C40 H64 B40 N8 -","4","1","","Li, Huan-Huan; Bai, Fan; Yan, Hong; Lu, Chang-Sheng","Base-Promoted Decarboxylative Azo-Coupling: Construction of Unsymmetrical Azocarboranes.","Organic letters","2017","19","4","862","865","10.1021/acs.orglett.7b00013","","","0.71073","MoKα","","0.0836","0.053","","","0.1572","0.1882","","","","","","1.034","","","","has coordinates","193368","2020-10-21","18:00:00",""
"1545450","9.9538","0.0006","11.0301","0.0008","15.5083","0.0009","78.631","0.005","74.036","0.005","64.658","0.006","1473.29","0.18","150.01","0.1","150.01","0.1","","","","","","","synthesis as described","5","P -1","-P 1","2","","","","- C16 H13 Br F N3 -","- C16 H13 Br F N3 -","- C64 H52 Br4 F4 N12 -","4","2","","Goitia, Asier; Gómez-Bengoa, Enrique; Correa, Arkaitz","Selective C(sp(2))-H Halogenation of ""Click"" 4-Aryl-1,2,3-triazoles.","Organic letters","2017","19","4","962","965","10.1021/acs.orglett.7b00275","","x-ray","1.5418","CuKα","","0.0817","0.0577","","","0.1587","0.1778","","","","","","0.976","","","","has coordinates","193369","2020-10-21","18:00:00",""
"1545451","10.6471","0.0008","17.0945","0.0012","17.2371","0.0012","90","","90","","90","","3137.3","0.4","296","2","296","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C29 H33 Cl3 N2 O4 S2 -","- C29 H33 Cl3 N2 O4 S2 -","- C116 H132 Cl12 N8 O16 S8 -","4","1","","Bertuzzi, Giulio; Sinisi, Alessandro; Pecorari, Daniel; Caruana, Lorenzo; Mazzanti, Andrea; Bernardi, Luca; Fochi, Mariafrancesca","Nucleophilic Dearomatization of Pyridines under Enamine Catalysis: Regio-, Diastereo-, and Enantioselective Addition of Aldehydes to Activated N-Alkylpyridinium Salts.","Organic letters","2017","19","4","834","837","10.1021/acs.orglett.6b03824","","","0.71073","MoKα","","0.0773","0.0735","","","0.2111","0.2165","","","","","","1.075","","","","has coordinates","193370","2020-10-21","18:00:00",""
"1545452","5.7538","0.0003","17.7715","0.001","15.5029","0.001","90","","96.093","0.005","90","","1576.27","0.16","110","2","110","2","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","","","- C19 H20 O3 -","- C19 H20 O3 -","- C76 H80 O12 -","4","1","","Rao, Santhosh; Prabhu, Kandikere Ramaiah","Gold-Catalyzed [2,3]-Sigmatropic Rearrangement: Reaction of Aryl Allyl Alcohols with Diazo Compounds.","Organic letters","2017","19","4","846","849","10.1021/acs.orglett.6b03836","","x-ray","0.71073","MoKα","","0.0823","0.0601","","","0.1299","0.1437","","","","","","1.02","","","","has coordinates","193371","2020-10-21","18:00:00",""
"1545453","20.153","0.003","7.6811","0.0012","14.612","0.002","90","","107.931","0.002","90","","2152","0.6","100","2","100","2","","","","","","","","3","C 1 2/c 1","-C 2yc","15","","","","- C28 H20 S2 -","- C28 H20 S2 -","- C112 H80 S8 -","4","0.5","","Chaolumen, ?; Murata, Michihisa; Wakamiya, Atsushi; Murata, Yasujiro","Dithieno-Fused Polycyclic Aromatic Hydrocarbon with a Pyracylene Moiety: Strong Antiaromatic Contribution to the Electronic Structure.","Organic letters","2017","19","4","826","829","10.1021/acs.orglett.6b03819","","","0.71073","MoKα","","0.037","0.0332","","","0.0838","0.0868","","","","","","1.051","","","","has coordinates,has disorder","193372","2020-10-21","18:00:00",""
"1545454","8.5547","0.0008","20.782","0.002","21.537","0.002","90","","90","","90","","3828.9","0.6","293","2","293","2","","","","","","","","6","P b c a","-P 2ac 2ab","61","","","","- C21.87 H14.18 Br N O S -","- C21.87 H14.18 Br N O S -","- C174.96 H113.44 Br8 N8 O8 S8 -","8","1","","Prasad, Ch Durga; Sattar, Moh; Kumar, Sangit","Transition-Metal-Free Selective Oxidative C(sp(3))-S/Se Coupling of Oxindoles, Tetralone, and Arylacetamides: Synthesis of Unsymmetrical Organochalcogenides.","Organic letters","2017","19","4","774","777","10.1021/acs.orglett.6b03735","","","0.71073","MoKα","","0.0936","0.0572","","","0.1512","0.1724","","","","","","1.043","","","","has coordinates,has disorder","193373","2020-10-21","18:00:00",""
"1545455","12.6933","0.0004","7.6526","0.0002","15.0369","0.0005","90","","113.961","0.002","90","","1334.76","0.07","296","2","296","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C15 H13 N O3 S -","- C15 H13 N O3 S -","- C60 H52 N4 O12 S4 -","4","1","","Prasad, Ch Durga; Sattar, Moh; Kumar, Sangit","Transition-Metal-Free Selective Oxidative C(sp(3))-S/Se Coupling of Oxindoles, Tetralone, and Arylacetamides: Synthesis of Unsymmetrical Organochalcogenides.","Organic letters","2017","19","4","774","777","10.1021/acs.orglett.6b03735","","x-ray","0.71073","MoKα","","0.0468","0.0381","","","0.0963","0.1029","","","","","","1.049","","","","has coordinates","193374","2020-10-21","18:00:00",""
"1545456","20.6221","0.0009","5.5829","0.0002","16.5354","0.0007","90","","112.431","0.001","90","","1759.7","0.12","100","2","100","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C21 H17 Cl O S -","- C21 H17 Cl O S -","- C84 H68 Cl4 O4 S4 -","4","1","","Canestrari, Daniele; Lancianesi, Stefano; Badiola, Eider; Strinna, Chiara; Ibrahim, Hasim; Adamo, Mauro F. A.","Desulfurative Chlorination of Alkyl Phenyl Sulfides.","Organic letters","2017","19","4","918","921","10.1021/acs.orglett.7b00077","","x-ray","1.54178","CuKα","","0.0355","0.0347","","","0.0942","0.0951","","","","","","1.045","","","","has coordinates","193375","2020-10-21","18:00:00",""
"1545457","9.0392","0.0006","14.708","0.0009","15.6959","0.001","90","","90","","90","","2086.7","0.2","113","2","113","2","","","","","","","","7","P 21 21 21","P 2ac 2ab","19","","","","- C23 H16 Cl F N2 O4 S -","- C23 H16 Cl F N2 O4 S -","- C92 H64 Cl4 F4 N8 O16 S4 -","4","1","","Zhang, Bobo; Zhang, Xiang; Hu, Bei; Sun, Desong; Wang, Senlin; Zhang-Negrerie, Daisy; Du, Yunfei","PhI(OCOCF3)2-Mediated Construction of a 2-Spiropseudoindoxyl Skeleton via Cascade Annulation of 2-Sulfonamido-N-phenylpropiolamide Derivatives.","Organic letters","2017","19","4","902","905","10.1021/acs.orglett.7b00058","","","0.71073","MoKα","","0.0218","0.0214","","","0.0579","0.0581","","","","","","1.058","","","","has coordinates","193376","2020-10-21","18:00:00",""
"1545458","14.1257","0.0003","11.68","0.0002","22.185","0.0005","90","","97.966","0.001","90","","3624.94","0.13","296","2","296","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C43 H36 O4 P2 -","- C43 H36 O4 P2 -","- C172 H144 O16 P8 -","4","1","","Sun, Jun; Qiu, Jiang-Kai; Wu, Ya-Nan; Hao, Wen-Juan; Guo, Cheng; Li, Guigen; Tu, Shu-Jiang; Jiang, Bo","Silver-Mediated Radical C(sp(3))-H Biphosphinylation and Nitration of β-Alkynyl Ketones for Accessing Functional Isochromenes.","Organic letters","2017","19","4","754","757","10.1021/acs.orglett.6b03546","","","0.71073","MoKα","","0.1168","0.0525","","","0.1284","0.1542","","","","","","1.02","","","","has coordinates","193377","2020-10-21","18:00:00",""
"1545459","9.0525","0.0012","8.6536","0.0012","10.8768","0.0014","90","","108.402","0.002","90","","808.48","0.19","296","","296","","","","","","","","","5","P 1 21 1","P 2yb","4","FC-4d","","","- C18 H14 Br N2 O2 -","- C18 H15 Br N2 O2 -","- C36 H30 Br2 N4 O4 -","2","1","","Arai, Takayoshi; Tsuchida, Akiko; Miyazaki, Tomoya; Awata, Atsuko","Catalytic Asymmetric Synthesis of Chiral 2-Vinylindole Scaffolds by Friedel-Crafts Reaction.","Organic letters","2017","19","4","758","761","10.1021/acs.orglett.6b03584","","","0.71073","MoKα","","0.0264","0.0239","","","0.0572","0.0581","","","","","","1.008","","","","has coordinates","193378","2020-10-21","18:00:00",""
"1545460","16.642","0.016","13.249","0.012","10.403","0.01","90","","106.747","0.013","90","","2196","4","296","2","296","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C26 H21 N O6 -","- C26 H21 N O6 -","- C104 H84 N4 O24 -","4","1","","Li, Xuanyi; Han, Chunhua; Yao, Hequan; Lin, Aijun","Organocatalyzed [3 + 2] Annulation of Cyclopropenones and β-Ketoesters: An Approach to Substituted Butenolides with a Quaternary Center.","Organic letters","2017","19","4","778","781","10.1021/acs.orglett.6b03737","","","0.71073","MoKα","","0.1022","0.0496","","","0.1082","0.1246","","","","","","1.011","","","","has coordinates","193379","2020-10-21","18:00:00",""
"1545461","9.4705","0.001","10.7642","0.0013","23.159","0.003","90","","94.784","0.004","90","","2352.7","0.5","153","2","153","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C29.5 H24 Cl N O2 -","- C29.5 H24 Cl N O2 -","- C118 H96 Cl4 N4 O8 -","4","1","","Luong, Tom; Chen, Shujie; Qu, Ke; McInturff, Emma L.; Krische, Michael J.","Ruthenium(0)-Catalyzed C-C Coupling of Alkynes and 3-Hydroxy-2-oxindoles: Direct C-H Vinylation of Alcohols.","Organic letters","2017","19","4","966","968","10.1021/acs.orglett.7b00174","","","0.71073","MoKα","","0.1227","0.0569","","","0.0992","0.1255","","","","","","1.027","","","","has coordinates,has disorder","193380","2020-10-21","18:00:00",""
"1545462","8.907","0.005","17.185","0.011","11.076","0.007","90","","91.287","0.01","90","","1694.9","1.8","296","2","296","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C18 H12 Br N O4 S -","- C18 H12 Br N O4 S -","- C72 H48 Br4 N4 O16 S4 -","4","1","","Guo, Dong-Dong; Li, Bin; Wang, Da-Yu; Gao, Ya-Ru; Guo, Shi-Huan; Pan, Gao-Fei; Wang, Yong-Qiang","Synthesis of 6H-Benzo[c]chromenes via Palladium-Catalyzed Intramolecular Dehydrogenative Coupling of Two Aryl C-H Bonds.","Organic letters","2017","19","4","798","801","10.1021/acs.orglett.6b03763","","","0.71073","MoKα","","0.0975","0.0627","","","0.1614","0.1796","","","","","","1.054","","","","has coordinates","193381","2020-10-21","18:00:00",""
"1545463","7.9735","0.0013","13.888","0.002","15.686","0.003","90","","96.433","0.002","90","","1726.1","0.5","296","2","296","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C19 H12 F3 N O4 S -","- C19 H12 F3 N O4 S -","- C76 H48 F12 N4 O16 S4 -","4","1","","Guo, Dong-Dong; Li, Bin; Wang, Da-Yu; Gao, Ya-Ru; Guo, Shi-Huan; Pan, Gao-Fei; Wang, Yong-Qiang","Synthesis of 6H-Benzo[c]chromenes via Palladium-Catalyzed Intramolecular Dehydrogenative Coupling of Two Aryl C-H Bonds.","Organic letters","2017","19","4","798","801","10.1021/acs.orglett.6b03763","","","0.71073","MoKα","","0.0415","0.0335","","","0.0865","0.0923","","","","","","1.01","","","","has coordinates","193382","2020-10-21","18:00:00",""
"1545464","7.9347","0.0016","13.383","0.003","15.493","0.003","90","","90.928","0.003","90","","1645","0.6","296","2","296","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C18 H13 N2 O6 S -","- C18 H12 N2 O6 S -","- C72 H48 N8 O24 S4 -","4","1","","Guo, Dong-Dong; Li, Bin; Wang, Da-Yu; Gao, Ya-Ru; Guo, Shi-Huan; Pan, Gao-Fei; Wang, Yong-Qiang","Synthesis of 6H-Benzo[c]chromenes via Palladium-Catalyzed Intramolecular Dehydrogenative Coupling of Two Aryl C-H Bonds.","Organic letters","2017","19","4","798","801","10.1021/acs.orglett.6b03763","","","0.71073","MoKα","","0.0673","0.0457","","","0.1114","0.1242","","","","","","1.05","","","","has coordinates","193383","2020-10-21","18:00:00",""
"1545465","10.786","0.002","10.726","0.002","14.291","0.003","90","","98.556","0.003","90","","1634.9","0.6","296","2","296","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C19 H15 N O4 S -","- C19 H15 N O4 S -","- C76 H60 N4 O16 S4 -","4","1","","Guo, Dong-Dong; Li, Bin; Wang, Da-Yu; Gao, Ya-Ru; Guo, Shi-Huan; Pan, Gao-Fei; Wang, Yong-Qiang","Synthesis of 6H-Benzo[c]chromenes via Palladium-Catalyzed Intramolecular Dehydrogenative Coupling of Two Aryl C-H Bonds.","Organic letters","2017","19","4","798","801","10.1021/acs.orglett.6b03763","","","0.71073","MoKα","","0.0453","0.0371","","","0.094","0.0996","","","","","","1.03","","","","has coordinates","193384","2020-10-21","18:00:00",""
"1545466","8.2666","0.0016","17.036","0.003","12.631","0.002","90","","96.421","0.004","90","","1767.7","0.5","296","2","296","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C20 H17 N O4 S -","- C20 H17 N O4 S -","- C80 H68 N4 O16 S4 -","4","1","","Guo, Dong-Dong; Li, Bin; Wang, Da-Yu; Gao, Ya-Ru; Guo, Shi-Huan; Pan, Gao-Fei; Wang, Yong-Qiang","Synthesis of 6H-Benzo[c]chromenes via Palladium-Catalyzed Intramolecular Dehydrogenative Coupling of Two Aryl C-H Bonds.","Organic letters","2017","19","4","798","801","10.1021/acs.orglett.6b03763","","","0.71073","MoKα","","0.0667","0.0447","","","0.1113","0.1246","","","","","","1.057","","","","has coordinates","193385","2020-10-21","18:00:00",""
"1545467","10.7121","0.0011","9.923","0.0011","19.323","0.002","90","","97.966","0.003","90","","2034.1","0.4","293","2","293","2","","","","","","","","7","P 1 21 1","P 2yb","4","","","","- C40 H54 Br N2 O4 P S -","- C40 H54 Br N2 O4 P S -","- C80 H108 Br2 N4 O8 P2 S2 -","2","1","","Wang, Lisheng; Wu, Yi; Liu, Yang; Yang, Hua; Liu, Xu; Wang, Jianyi; Li, Xiaoxun; Jiang, Jun","Copper-Catalyzed P-H Insertions of α-Imino Carbenes for the Preparation of 3-Phosphinoylindoles.","Organic letters","2017","19","4","782","785","10.1021/acs.orglett.6b03752","","","0.71073","MoKα","","0.0604","0.05","","","0.1301","0.1375","","","","","","1.034","","","","has coordinates,has disorder","193386","2020-10-21","18:00:00",""
"1545468","9.6162","0.0005","20.0202","0.0009","12.4958","0.0006","90","","96.703","0.003","90","","2389.2","0.2","296","2","296","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C25 H19 F3 O4 S2 -","- C25 H19 F3 O4 S2 -","- C100 H76 F12 O16 S8 -","4","1","","Li, Xiaojin; Sun, Yan; Huang, Xin; Zhang, Lei; Kong, Lichun; Peng, Bo","Synthesis of o-Aryloxy Triarylsulfonium Salts via Aryne Insertion into Diaryl Sulfoxides.","Organic letters","2017","19","4","838","841","10.1021/acs.orglett.6b03840","","","0.71073","MoKα","","0.1786","0.1264","","","0.2564","0.2825","","","","","","1.768","","","","has coordinates","193387","2020-10-21","18:00:00",""
"1545469","6.5022","0.0003","7.7532","0.0003","11.0346","0.0006","77.138","0.003","82.169","0.003","83.193","0.002","535.03","0.04","173","2","173","2","","","","","","","","5","P -1","-P 1","2","","","","- C9 H9 Au Cl N3 -","- C9 H9 Au Cl N3 -","- C18 H18 Au2 Cl2 N6 -","2","1","","Frutos, María; Ortuño, Manuel A; Lledos, Agustí; Viso, Alma; Fernández de la Pradilla, Roberto; de la Torre, María C; Sierra, Miguel A.; Gornitzka, Heinz; Hemmert, Catherine","Desulfinylation of Ag(I) Sulfinyl Mesoionic Carbenes: Preparation of C-Unsubstituted Au(I)-1,2,3-Triazole Carbene Complexes.","Organic letters","2017","19","4","822","825","10.1021/acs.orglett.6b03808","","","0.71073","MoKα","","0.067","0.0356","","","0.0488","0.0541","","","","","","0.952","","","","has coordinates","198632","2020-10-21","18:00:00",""
"1545470","11.6678","0.0012","7.5775","0.0008","12.8031","0.0013","90","","115.593","0.004","90","","1020.9","0.19","100","2","100","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C9 H9 Au Cl N3 -","- C9 H9 Au Cl N3 -","- C36 H36 Au4 Cl4 N12 -","4","1","","Frutos, María; Ortuño, Manuel A; Lledos, Agustí; Viso, Alma; Fernández de la Pradilla, Roberto; de la Torre, María C; Sierra, Miguel A.; Gornitzka, Heinz; Hemmert, Catherine","Desulfinylation of Ag(I) Sulfinyl Mesoionic Carbenes: Preparation of C-Unsubstituted Au(I)-1,2,3-Triazole Carbene Complexes.","Organic letters","2017","19","4","822","825","10.1021/acs.orglett.6b03808","","","0.71073","MoKα","","0.028","0.0175","","","0.0396","0.0442","","","","","","1.035","","","","has coordinates","198632","2020-10-21","18:00:00",""
"1545471","11.1264","0.0005","23.9534","0.0011","15.5703","0.0007","90","","92.3778","0.0019","90","","4146.1","0.3","173","2","173","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C34.5 H51 Br O18 -","- C34.5 H51 Br O18 -","- C138 H204 Br4 O72 -","4","2","","Hayashi, Taiki; Ohmori, Ken; Suzuki, Keisuke","Synthetic Study on Carthamin. 2. Stereoselective Approach to C-Glycosyl Quinochalcone via Desymmetrization.","Organic letters","2017","19","4","866","869","10.1021/acs.orglett.6b03899","","","1.54186","CuKα","","0.1388","0.0948","","","0.2461","0.2955","","","","","","0.982","","","","has coordinates","214153","2020-10-21","18:00:00",""
"1545472","25.678","0.003","11.0955","0.0007","19.564","0.002","90","","138.94","0.02","90","","3661.3","1.6","102.7","","102.7","","","","","","","","","4","C 1 2 1","C 2y","5","","","","- C32 H33 N3 O8 -","- C32 H33 N3 O8 -","- C128 H132 N12 O32 -","4","1","","Liu, Li; Wang, Long; Bao, Li; Ren, Jinwei; Bahadur Basnet, Buddha; Liu, Ruixing; He, Luwei; Han, Junjie; Yin, Wen-Bing; Liu, Hongwei","Versicoamides F-H, Prenylated Indole Alkaloids from Aspergillus tennesseensis.","Organic letters","2017","19","4","942","945","10.1021/acs.orglett.7b00145","","","1.5418","CuKα","","0.0735","0.0702","","","0.1987","0.2035","","","","","","1.084","","","","has coordinates","193391","2020-10-21","18:00:00",""
"1545473","15.7527","0.0006","8.9786","0.0003","24.0362","0.0009","90","","108.197","0.004","90","","3229.6","0.2","104.7","","104.7","","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C34.2 H42.09 N3 O9.5 -","- C34.2 H42.1 N3 O9.5 -","- C136.8 H168.4 N12 O38 -","4","2","","Liu, Li; Wang, Long; Bao, Li; Ren, Jinwei; Bahadur Basnet, Buddha; Liu, Ruixing; He, Luwei; Han, Junjie; Yin, Wen-Bing; Liu, Hongwei","Versicoamides F-H, Prenylated Indole Alkaloids from Aspergillus tennesseensis.","Organic letters","2017","19","4","942","945","10.1021/acs.orglett.7b00145","","","1.5418","CuKα","","0.0483","0.0443","","","0.1164","0.1207","","","","","","1.023","","","","has coordinates,has disorder","193391","2020-10-21","18:00:00",""
"1545474","7.478","0.0004","10.2072","0.0005","11.8614","0.0005","107.051","0.004","91.711","0.004","96.066","0.004","858.97","0.07","120","2","120","2","","","","","","","","3","P -1","-P 1","2","","","","- C20 H16 O7 -","- C20 H16 O7 -","- C40 H32 O14 -","2","1","","Chalupa, David; Vojáčková, Petra; Partl, Jiří; Pavlović, Dražen; Nečas, Marek; Švenda, Jakub","Enantioselective Synthesis of Cephalimysins B and C.","Organic letters","2017","19","4","750","753","10.1021/acs.orglett.6b03373","","","0.71073","MoKα","","0.0402","0.0372","","","0.0973","0.1007","","","","","","1.091","","","","has coordinates","193392","2020-10-21","18:00:00",""
"1545475","6.8562","0.0005","10.2038","0.0006","24.6697","0.0016","90","","92.102","0.006","90","","1724.7","0.2","120","2","120","2","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","","","- C20 H16 O7 -","- C20 H16 O7 -","- C80 H64 O28 -","4","1","","Chalupa, David; Vojáčková, Petra; Partl, Jiří; Pavlović, Dražen; Nečas, Marek; Švenda, Jakub","Enantioselective Synthesis of Cephalimysins B and C.","Organic letters","2017","19","4","750","753","10.1021/acs.orglett.6b03373","","","0.71073","MoKα","","0.1188","0.0658","","","0.1448","0.1727","","","","","","1.048","","","","has coordinates","193393","2020-10-21","18:00:00",""
"1545476","15.784","0.003","15.784","0.003","31.144","0.005","90","","90","","90","","7759","2","293","2","293","2","","","","","","","","4","P 42/n b c","-P 4ac 2b","133","SCU-100","","","- C37 H28 Ag2 N8 -","- C37 H28 Ag2 N8 -","- C296 H224 Ag16 N64 -","8","","","Sheng, Daopeng; Zhu, Lin; Xu, Chao; Xiao, Chengliang; Wang, Yanlong; Wang, Yaxing; Chen, Lanhua; Diwu, Juan; Chen, Jing; Chai, Zhifang; Albrecht-Schmitt, Thomas E; Wang, Shuao","Efficient and Selective Uptake of TcO4(-) by a Cationic Metal-Organic Framework Material with Open Ag(+) Sites.","Environmental science & technology","2017","","","","","10.1021/acs.est.7b00339","","","0.71073","MoKα","","0.1513","0.0931","","","0.312","0.3541","","","","","","1.069","","","","has coordinates","193661","2020-10-21","18:00:00",""
"1545477","15.4983","0.0011","15.4983","0.0011","7.6894","0.0007","90","","90","","90","","1847","0.3","296","2","296","2","","","","","","","","6","P -4","P -4","81","","","","- C37 H28 Ag2 N8 O8 Re2 -","- C37 H28 Ag2 N8 O8 Re2 -","- C74 H56 Ag4 N16 O16 Re4 -","2","0.5","","Sheng, Daopeng; Zhu, Lin; Xu, Chao; Xiao, Chengliang; Wang, Yanlong; Wang, Yaxing; Chen, Lanhua; Diwu, Juan; Chen, Jing; Chai, Zhifang; Albrecht-Schmitt, Thomas E; Wang, Shuao","Efficient and Selective Uptake of TcO4(-) by a Cationic Metal-Organic Framework Material with Open Ag(+) Sites.","Environmental science & technology","2017","","","","","10.1021/acs.est.7b00339","","","0.71073","MoKα","","0.0216","0.0212","","","0.0577","0.0581","","","","","","1.258","","","","has coordinates","193662","2020-10-21","18:00:00",""
"1545478","26.9274","0.0003","5.87596","0.00008","29.0682","0.0004","90","","90.0555","0.0012","90","","4599.29","0.1","100","2","100","2","","","","","","","","6","I 1 2/a 1","-I 2ya","15","","","","- C23 H33 Cl2 N O3 S -","- C23 H33 Cl2 N O3 S -","- C184 H264 Cl16 N8 O24 S8 -","8","1","","Saint-Dizier, François; Simpkins, Nigel S.","First total synthesis of concavine","Chem. Sci.","2017","8","5","3384","","10.1039/C6SC05627J","","x-ray","1.54184","CuKα","","0.0791","0.0754","","","0.2209","0.2247","","","","","","1.094","","","","has coordinates","196333","2020-10-21","18:00:00",""
"1545479","25.3512","0.0009","14.9091","0.0005","10.7525","0.0003","90","","101.725","0.002","90","","3979.3","0.2","150","2","150","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","3-Chloro-6-nitro-1-[(1-octyl-1<i>H</i>-1,2,3-triazol-4-yl)methyl]-1<i>H</i>-indazole","","- C18 H23 Cl N6 O2 -","- C18 H23 Cl N6 O2 -","- C144 H184 Cl8 N48 O16 -","8","2","HB4116","Mohamed Abdelahi, Mohamed Mokhtar; Boulhaoua, Mohammed; Essaghouani, Abdelhanine; Benchidmi, Mohammed; Essassi, El Mokhtar; Mague, Joel T.","3-Chloro-6-nitro-1-[(1-octyl-1<i>H</i>-1,2,3-triazol-4-yl)methyl]-1<i>H</i>-indazole","IUCrData","2017","2","2","x170146","","10.1107/S2414314617001468","","","1.54178","CuKα","","0.0955","0.0577","","","0.1045","0.1165","","","","","","1.093","","","","has coordinates,has disorder,has Fobs","193941","2020-10-21","18:00:00",""
"1545480","15.4975","0.001","7.8125","0.0005","24.1875","0.0018","90","","107.517","0.008","90","","2792.7","0.4","293","2","293.15","","","","","","","","","5","P 1 21 1","P 2yb","4","","(<i>S</i>)-3-[(<i>S</i>)-5-(4-Fluorophenyl)-5-hydroxypentanoyl]-4-phenyloxazolidin-2-one 0.67-hydrate","","- C20 H21.33333 F N O4.66667 -","- C20 H21.3333 F N O4.66667 -","- C120 H128 F6 N6 O28 -","6","3","SJ4083","Wang, Xiao-Guang; Ma, Qing-Shuang; Sun, Bin; Xu, Lei; Zhan, Feng-Tao; Zheng, Geng-Xiu","(<i>S</i>)-3-[(<i>S</i>)-5-(4-Fluorophenyl)-5-hydroxypentanoyl]-4-phenyloxazolidin-2-one 0.67-hydrate","IUCrData","2017","2","2","x170213","","10.1107/S2414314617002139","","","1.54184","CuKα","","0.052","0.042","","","0.1117","0.119","","","","","","1.058","","","","has coordinates,has Fobs","214153","2020-10-21","18:00:00",""
"1545481","9.5679","0.0012","11.433","0.0013","12.7993","0.0015","90","","108.257","0.004","90","","1329.6","0.3","296","2","296","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","Ethyl (<i>E</i>)-2-(2,7-dimethyl-5-oxo-4<i>H</i>,5<i>H</i>-pyrano[4,3-<i>b</i>]pyran-4-ylidene)acetate","","- C14 H14 O5 -","- C14 H14 O5 -","- C56 H56 O20 -","4","1","","Bassou, Oulemda; Chicha, Hakima; Bouissane, Latifa; Rakib, El Mostapha; Saadi, Mohamed; El Ammari, Lahcen","Ethyl (<i>E</i>)-2-(2,7-dimethyl-5-oxo-4<i>H</i>,5<i>H</i>-pyrano[4,3-<i>b</i>]pyran-4-ylidene)acetate","IUCrData","2017","2","2","x170208","","10.1107/S2414314617002085","","","0.71073","MoKα","","0.0762","0.0432","","","0.1183","0.137","","","","","","1.029","","","","has coordinates,has Fobs","193943","2020-10-21","18:00:00",""
"1545482","11.8003","0.0012","17.9297","0.0016","9.8723","0.0008","90","","110.279","0.005","90","","1959.3","0.3","113","2","113","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","(<i>E</i>)-2-({[3-Benzylsulfanyl-5-(<i>p</i>-tolyl)-4<i>H</i>-1,2,4-triazol-4-yl]imino}methyl)phenol","","- C23 H20 N4 O S -","- C23 H20 N4 O S -","- C92 H80 N16 O4 S4 -","4","1","SU5342","Hou, Qian; Li, Lu; Wang, Hewen","(<i>E</i>)-2-({[3-Benzylsulfanyl-5-(<i>p</i>-tolyl)-4<i>H</i>-1,2,4-triazol-4-yl]imino}methyl)phenol","IUCrData","2017","2","2","x170211","","10.1107/S2414314617002115","","","0.71073","MoKα","","0.051","0.0412","","","0.0942","0.0992","","","","","","1.074","","","","has coordinates,has Fobs","193944","2020-10-21","18:00:00",""
"1545483","8.6575","0.0002","7.1749","0.0001","25.3062","0.0005","90","","93.782","0.001","90","","1568.51","0.05","150","2","150","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","(4<i>Z</i>)-4-[1-(2-Aminoanilino)ethylidene]-3-methyl-1-phenyl-4,5-dihydro-1<i>H</i>-pyrazol-5-one","","- C18 H18 N4 O -","- C18 H18 N4 O -","- C72 H72 N16 O4 -","4","1","SJ4087","Samba, Mohamed; Djerrari, Bahia; Minnih, Mohamed Said; Ramli, Youssef; Essassi, El Mokhtar; Mague, Joel T.","(4<i>Z</i>)-4-[1-(2-Aminoanilino)ethylidene]-3-methyl-1-phenyl-4,5-dihydro-1<i>H</i>-pyrazol-5-one","IUCrData","2017","2","2","x170256","","10.1107/S2414314617002565","","","1.54178","CuKα","","0.0453","0.0379","","","0.0908","0.096","","","","","","1.039","","","","has coordinates,has Fobs","193945","2020-10-21","18:00:00",""
"1545484","16.2421","0.001","16.2421","0.001","8.9182","0.0006","90","","90","","120","","2037.5","0.2","173","","173","","","","","","","","","3","P 63","P 6c","173","Patchouli alcohol","4α,8aβ,9,9-Tetramethyl-3,4,4aβ,5,6β,7,8,8a-octahydro-1,6-\ methanonaphthalen-1β(2<i>H</i>)-ol","","- C15 H26 O -","- C15 H26 O -","- C90 H156 O6 -","6","1","SU4069","Inoue, Yutaka","Patchouli alcohol: 4α,8aβ,9,9-tetramethyl-3,4,4aβ,5,6β,7,8,8a-octahydro-1,6-methanonaphthalen-1β(2<i>H</i>)-ol","IUCrData","2017","2","2","x170189","","10.1107/S2414314617001894","","","0.71075","MoKα","","0.1106","0.0684","","","0.122","0.1362","","","","","","1.031","","","","has coordinates,has Fobs","193946","2020-10-21","18:00:00",""
"1545485","10.525","0.0009","13.4368","0.0009","20.112","0.002","71.141","0.008","89.472","0.009","76.46","0.006","2610","0.4","295","2","295","2","","","","","","","","6","P -1","-P 1","2","","3-Methyl-4,5,6,7,8,9-hexahydrocycloocteno-1,2,3-selenadiazolium iodide‒trichloromethane (4/1)","","- C9.25 H15.25 Cl0.75 I N2 Se -","- C9.25 H15.25 Cl0.75 I N2 Se -","- C74 H122 Cl6 I8 N16 Se8 -","8","4","","Schollmeyer, Dieter; Detert, Heiner","3-Methyl-4,5,6,7,8,9-hexahydrocycloocteno-1,2,3-selenadiazolium iodide‒trichloromethane (4/1)","IUCrData","2017","2","2","x170167","","10.1107/S2414314617001675","","","1.54178","CuKα","","0.1009","0.0667","","","0.1748","0.1967","","","","","","1.048","","","","has coordinates,has disorder,has Fobs","217633","2020-10-21","18:00:00",""
"1545486","7.7193","0.0003","8.6977","0.0003","9.5907","0.0004","90.457","0.002","95.07","0.002","90.627","0.002","641.34","0.04","150","2","150","2","","","","","","","","4","P -1","-P 1","2","","3-Hydroxy-3-(2-oxo-2,3-dihydro-1<i>H</i>-indol-3-yl)-2,3-dihydro-1<i>H</i>-indol-2-one","","- C16 H12 N2 O3 -","- C16 H12 N2 O3 -","- C32 H24 N4 O6 -","2","1","SJ4085","Mague, Joel T.; Mohamed, Shaaban K.; Akkurt, Mehmet; Adam, Mohamed Shaker S.; Hawaiz, Farouq E.","3-Hydroxy-3-(2-oxo-2,3-dihydro-1<i>H</i>-indol-3-yl)-2,3-dihydro-1<i>H</i>-indol-2-one","IUCrData","2017","2","2","x170139","","10.1107/S2414314617001390","","","1.54178","CuKα","","0.0469","0.0394","","","0.0949","0.1011","","","","","","1.057","","","","has coordinates,has Fobs","193948","2020-10-21","18:00:00",""
"1545487","9.44","0.006","14.6051","0.0015","12.321","0.002","90","","105.68","0.03","90","","1635.5","1.1","293","2","293","2","","","","","","","","4","P 1 21/a 1","-P 2yab","14","2-(5-Methylbenzofuran-3-yl)-N-phenethylacetamide","2-(5-Methyl-1-benzofuran-3-yl)-<i>N</i>-(2-phenylethyl)acetamide","","- C19 H19 N O2 -","- C19 H19 N O2 -","- C76 H76 N4 O8 -","4","1","SJ4086","Ramprasad, N.; Gowda, K. V. Arjuna; Gowda, Ramakrishna; Basanagouda, Mahantesha; Kantharaj, K. S.; Gowda, G. V. Jagadeesha","2-(5-Methyl-1-benzofuran-3-yl)-<i>N</i>-(2-phenylethyl)acetamide","IUCrData","2017","2","2","x170200","","10.1107/S2414314617002000","","","1.5418","CuKα","","0.1166","0.0625","","","0.1393","0.1685","","","","","","1.043","","","","has coordinates,has Fobs","193949","2020-10-21","18:00:00",""
"1545488","14.3727","0.0009","4.8669","0.0004","22.3233","0.0013","90","","118.859","0.009","90","","1367.6","0.2","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","(<i>E</i>)-2-{[(5-Chloro-2-methoxyphenyl)imino]methyl}-4-nitrophenol","","- C14 H11 Cl N2 O4 -","- C14 H11 Cl N2 O4 -","- C56 H44 Cl4 N8 O16 -","4","1","","Öv Bodur, Gönül Sevde; Yavuz, Metin; Dege, Necmi; Bülbül, Hakan; Ağar, Erbil","(<i>E</i>)-2-{[(5-Chloro-2-methoxyphenyl)imino]methyl}-4-nitrophenol","IUCrData","2017","2","2","x170177","","10.1107/S2414314617001778","","","0.71073","MoKα","","0.0902","0.0417","","","0.0903","0.1062","","","","","","0.942","","","","has coordinates,has Fobs","193950","2020-10-21","18:00:00",""
"1545489","9.5435","0.0002","9.5435","0.0002","15.9424","0.0004","90","","90","","90","","1452.01","0.06","120","2","120","2","","","","","","","","3","P 43","P 4cw","78","","1,3,5-Trichloro-2,4,6-tris(dichloromethyl)benzene","","- C9 H3 Cl9 -","- C9 H3 Cl9 -","- C36 H12 Cl36 -","4","1","","Tober, Natalie; Schollmeyer, Dieter; Detert, Heiner","1,3,5-Trichloro-2,4,6-tris(dichloromethyl)benzene","IUCrData","2017","2","2","x170227","","10.1107/S2414314617002279","","","0.71073","MoKα","","0.0575","0.0553","","","0.133","0.1349","","","","","","1.105","","","","has coordinates,has disorder,has Fobs","193951","2020-10-21","18:00:00",""
"1545490","7.9322","0.0002","15.2415","0.0004","13.6694","0.0004","90","","106.316","0.001","90","","1586.06","0.07","150","2","150","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","3-[(3,5-Dimethyl-1<i>H</i>-pyrazol-1-yl)methyl]-4-(4-methylphenyl)-4,5-dihydro-1<i>H</i>-1,2,4-triazole-5-thione","","- C15 H17 N5 S -","- C15 H17 N5 S -","- C60 H68 N20 S4 -","4","1","TK4029","Mague, Joel T.; Mohamed, Shaaban K.; Akkurt, Mehmet; Marzouk, Adel A.; Hawaiz, Farouq E.; Abdel-Rahman, Hamdy M.","3-[(3,5-Dimethyl-1<i>H</i>-pyrazol-1-yl)methyl]-4-(4-methylphenyl)-4,5-dihydro-1<i>H</i>-1,2,4-triazole-5-thione","IUCrData","2017","2","2","x170153","","10.1107/S2414314617001535","","","1.54178","CuKα","","0.0359","0.0331","","","0.0886","0.0913","","","","","","1.051","","","","has coordinates,has Fobs","193952","2020-10-21","18:00:00",""
"1545491","7.0734","0.0008","10.4076","0.0012","6.7019","0.0012","90","","116.683","0.004","90","","440.83","0.11","296","","296","","","","","","","","","5","P 1 2/c 1","-P 2yc","13","","Dichlorido(<i>o</i>-phenylenediamine)palladium(II)","","- C6 H8 Cl2 N2 Pd -","- C6 H8 Cl2 N2 Pd -","- C12 H16 Cl4 N4 Pd2 -","2","0.5","WM4038","Konno, Yosuke; Matsushita, Nobuyuki","Dichlorido(<i>o</i>-phenylenediamine)palladium(II)","IUCrData","2017","2","2","x170144","","10.1107/S2414314617001444","","","0.71075","MoKα","","0.022","0.0197","","","0.0514","0.0526","","","","","","1.092","","","","has coordinates,has Fobs","193953","2020-10-21","18:00:00",""
"1545492","41.014","0.011","5.7338","0.0015","11.88","0.003","90","","94.442","0.008","90","","2785.4","1.3","176","2","176","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","2,5-Bis[(3,3,4,4,5,5,6,6,7,7,8,8,8-tridecafluorooctyl)sulfanyl]-1,3,4-thiadiazole","","- C18 H8 F26 N2 S3 -","- C18 H8 F26 N2 S3 -","- C72 H32 F104 N8 S12 -","4","0.5","HB4113","Partl, Gabriel; Laus, Gerhard; Wurst, Klaus; Kopacka, Holger; Müller, Thomas; Huppertz, Hubert; Schottenberger, Herwig","2,5-Bis[(3,3,4,4,5,5,6,6,7,7,8,8,8-tridecafluorooctyl)sulfanyl]-1,3,4-thiadiazole","IUCrData","2017","2","2","x170110","","10.1107/S2414314617001109","","","0.71073","MoKα","","0.0412","0.0366","","","0.0959","0.099","","","","","","1.097","","","","has coordinates,has disorder,has Fobs","193954","2020-10-21","18:00:00",""
"1545493","7.205","0.0002","19.8831","0.0006","9.7676","0.0003","90","","105.691","0.001","90","","1347.14","0.07","296","2","296","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","3,5-Diamino-4<i>H</i>-1,2,4-triazol-1-ium 4-nitrobenzoate dihydrate","","- C9 H14 N6 O6 -","- C9 H14 N6 O6 -","- C36 H56 N24 O24 -","4","1","TK4030","Lahmidi, Sanae; Essassi, El Mokhtar; Benchidmi, Mohammed; Saadi, Mohamed; El Ammari, Lahcen","3,5-Diamino-4<i>H</i>-1,2,4-triazol-1-ium 4-nitrobenzoate dihydrate","IUCrData","2017","2","2","x170159","","10.1107/S2414314617001596","","","0.71073","MoKα","","0.0553","0.043","","","0.1205","0.1334","","","","","","1.045","","","","has coordinates,has Fobs","193955","2020-10-21","18:00:00",""
"1545494","5.454","0.0003","8.8013","0.0005","30.2297","0.0018","90","","92.835","0.001","90","","1449.32","0.14","295","2","295","2","","","","","","","","5","P 1 21 1","P 2yb","4","","<i>L</i>-Glutaminium 4-methylbenzenesulfonate","","- C12 H17 N O7 S -","- C12 H17 N O7 S -","- C48 H68 N4 O28 S4 -","4","2","BT4036","Thayanithi, V.; Kumar, P. Praveen; Gunasekaran, B.","<small>L</small>-Glutaminium 4-methylbenzenesulfonate","IUCrData","2017","2","2","x170162","","10.1107/S2414314617001626","","","0.71073","MoKα","","0.0433","0.0357","","","0.0869","0.0915","","","","","","1.032","","","","has coordinates,has Fobs","193956","2020-10-21","18:00:00",""
"1545495","7.3148","0.0006","8.403","0.0006","27.67","0.002","90","","90","","90","","1700.8","0.2","150","2","150","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","4-Methyl-3,4-dihydro-2<i>H</i>-1,4-benzothiazin-3-one","","- C9 H9 N O S -","- C9 H9 N O S -","- C72 H72 N8 O8 S8 -","8","1","HB4112","Ellouz, Mohamed; Sebbar, Nada Kheira; Ouzidan, Younes; Essassi, El Mokhtar; Mague, Joel T.","4-Methyl-3,4-dihydro-2<i>H</i>-1,4-benzothiazin-3-one","IUCrData","2017","2","2","x170097","","10.1107/S2414314617000979","","","1.54178","CuKα","","0.0298","0.0292","","","0.0755","0.0761","","","","","","1.042","","","","has coordinates,has Fobs","193957","2020-10-21","18:00:00",""
"1545496","10.1567","0.0005","8.5396","0.0004","21.8019","0.001","90","","99.329","0.002","90","","1865.96","0.15","296","2","296","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","(<i>Z</i>)-2-(4-Methoxyanilino)-1,4-diphenylbut-2-ene-1,4-dione","","- C23 H19 N O3 -","- C23 H19 N O3 -","- C92 H76 N4 O12 -","4","1","FF4012","Ravi, A. J.; Vinduvahini, M.; Vinayaka, A. C.; Sadashiva, M. P.; Devarajegowda, H. C.","(<i>Z</i>)-2-(4-Methoxyanilino)-1,4-diphenylbut-2-ene-1,4-dione","IUCrData","2017","2","2","x170043","","10.1107/S2414314617000438","","","1.54178","CuKα","","0.0529","0.0502","","","0.147","0.1506","","","","","","1.061","","","","has coordinates,has Fobs","193958","2020-10-21","18:00:00",""
"1545497","7.5446","0.0001","7.5446","0.0001","27.6498","0.0005","90","","90","","90","","1573.85","0.04","293","2","293","2","","","","","","","","4","P 41 21 2","P 4abw 2nw","92","","Piperazine-1,4-diium bis(3-carboxy-2,3-dihydroxypropanoate)","","- C6 H11 N O6 -","- C6 H11 N O6 -","- C48 H88 N8 O48 -","8","1","BT4039","Asserar, Fatima; Guenoun, Farhate; Sekkat, Chakib; Labrim, Hicham; Marah, Hamid; Zouihri, Hafid; Yamni, Khalid","Piperazine-1,4-diium bis(3-carboxy-2,3-dihydroxypropanoate)","IUCrData","2017","2","2","x170249","","10.1107/S2414314617002498","","","0.71073","MoKα","","0.0584","0.0405","","","0.1077","0.1171","","","","","","1.115","","","","has coordinates,has Fobs","193959","2020-10-21","18:00:00",""
"1545498","18.0993","0.0012","14.2646","0.0009","9.599","0.0006","90","","105.345","0.001","90","","2389.9","0.3","173","2","173","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","1,1'-{(1<i>E</i>,1'<i>E</i>)-[Octane-1,8-diylbis(azanylylidene)]bis(methanylylidene)}bis(naphthalen-2-ol) in the zwitterion form","","- C30 H32 N2 O2 -","- C30 H32 N2 O2 -","- C120 H128 N8 O8 -","4","0.5","","Bendia, Sabrina; Ouari, Kamel; Karmazin, Lydia","1,1'-{(1<i>E</i>,1'<i>E</i>)-[Octane-1,8-diylbis(azanylylidene)]bis(methanylylidene)}bis(naphthalen-2-ol) in the zwitterionic form","IUCrData","2017","2","2","x170169","","10.1107/S2414314617001699","","","0.71073","MoKα","","0.0749","0.0525","","","0.1311","0.1464","","","","","","1.126","","","","has coordinates,has Fobs","193960","2020-10-21","18:00:00",""
"1545499","8.338","0.0017","10.435","0.002","10.885","0.002","102.95","0.03","97.94","0.03","97.51","0.03","901.2","0.3","293","2","293","2","","","","","","","","4","P -1","-P 1","2","","Ethyl 3-[3-amino-4-methylamino-<i>N</i>-(pyridin-2-yl)benzamido]propanoate","","- C18 H22 N4 O3 -","- C18 H22 N4 O3 -","- C36 H44 N8 O6 -","2","1","XU4015","Wen, Gao-Ju; Wang, Ming-Xin; Gu, Lian-Shuai","Ethyl 3-[3-amino-4-methylamino-<i>N</i>-(pyridin-2-yl)benzamido]propanoate","IUCrData","2017","2","2","x161941","","10.1107/S2414314616019416","","","0.71073","MoKα","","0.1126","0.0627","","","0.1603","0.192","","","","","","1.014","","","","has coordinates,has Fobs","193961","2020-10-21","18:00:00",""
"1545500","4.9309","0.0002","17.1173","0.0008","16.6517","0.0007","90","","91.189","0.003","90","","1405.16","0.11","150","2","150","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","5-{[5-(4-Chlorophenyl)-3-methyl-1<i>H</i>-pyrazol-1-yl]methyl}-1,3,4-oxadiazole-2(3<i>H</i>)-thione","","- C13 H11 Cl N4 O S -","- C13 H11 Cl N4 O S -","- C52 H44 Cl4 N16 O4 S4 -","4","1","SU4127","Mague, Joel T.; Mohamed, Shaaban K.; Akkurt, Mehmet; Marzouk, Adel A.; Hawaiz, Farouq E.; Abdel-Rahman, Hamdy M.","5-{[5-(4-Chlorophenyl)-3-methyl-1<i>H</i>-pyrazol-1-yl]methyl}-1,3,4-oxadiazole-2(3<i>H</i>)-thione","IUCrData","2017","2","2","x170176","","10.1107/S2414314617001766","","","1.54178","CuKα","","0.1009","0.0681","","","0.1742","0.195","","","","","","1.054","","","","has coordinates,has disorder,has Fobs","193964","2020-10-21","18:00:00",""
"1545501","13.373","0.003","13.996","0.003","17.219","0.004","90","","90","","90","","3222.9","1.2","296","2","296","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","1-[(1<i>R</i>,2<i>S</i>,4<i>R</i>,7<i>S</i>)-3,3-Dichloro-4,11,11-trimethyl­tricyclo[5.4.0.0^2,4^]undecan-7-yl]ethanone","","- C16 H24 Cl2 O -","- C16 H24 Cl2 O -","- C128 H192 Cl16 O8 -","8","2","RZ4010","Benharref, Ahmed; El Ammari, Lahcen; Saadi, Mohamed; Ait Elhad, Mustapha; Oukhrib, Abdelouahd; Berraho, Moha","1-[(1<i>R</i>,2<i>S</i>,4<i>R</i>,7<i>S</i>)-3,3-Dichloro-4,11,11-trimethyltricyclo[5.4.0.0^2,4^]undecan-7-yl]ethanone","IUCrData","2017","2","2","x170198","","10.1107/S2414314617001985","","","0.71073","MoKα","","0.0361","0.0321","","","0.0808","0.0842","","","","","","1.039","","","","has coordinates,has Fobs","193965","2020-10-21","18:00:00",""
"1545502","8.1732","0.0005","10.5828","0.0007","12.1781","0.0008","113.699","0.001","94.617","0.001","99.203","0.001","939.81","0.11","293","2","293","2","","","","","","","","7","P -1","-P 1","2","","<i>N</i>-[(3-Bromo-1-phenylsulfonyl-1<i>H</i>-indol-2-yl)methyl]-4-fluoroaniline","","- C21 H16 Br F N2 O2 S -","- C21 H16 Br F N2 O2 S -","- C42 H32 Br2 F2 N4 O4 S2 -","2","1","SU4110","Yadav, C. Suresh; Viswanathan, Vijayan; Kannadasan, Sathananthan; Velmurugan, Devadasan","<i>N</i>-[(3-Bromo-1-phenylsulfonyl-1<i>H</i>-indol-2-yl)methyl]-4-fluoroaniline","IUCrData","2017","2","2","x170147","","10.1107/S241431461700147X","","","0.71073","MoKα","","0.0382","0.0316","","","0.0922","0.0958","","","","","","1.046","","","","has coordinates,has Fobs","193966","2020-10-21","18:00:00",""
"1545503","5.93718","0.00011","16.9484","0.0003","10.8841","0.0002","90","","103.797","0.0019","90","","1063.62","0.03","293","2","293.15","","","","","","","","","6","P 1 21 1","P 2yb","4","","{(3<i>S</i>,5<i>R</i>)-5-(2,4-Difluorophenyl)-5-[(1<i>H</i>-1,2,4-triazol-1-yl)methyl]tetrahydrofuran-3-yl}methyl 4-methylbenzenesulfonate","","- C21 H21 F2 N3 O4 S -","- C21 H21 F2 N3 O4 S -","- C42 H42 F4 N6 O8 S2 -","2","1","SJ4084","Ma, Qing-Shuang; Wang, Xiao-Guang; Xu, Lei; Bin, Sun; Xia, Dao-Hong; Zheng, Geng-Xiu","{(3<i>S</i>,5<i>R</i>)-5-(2,4-Difluorophenyl)-5-[(1<i>H</i>-1,2,4-triazol-1-yl)methyl]tetrahydrofuran-3-yl}methyl 4-methylbenzenesulfonate","IUCrData","2017","2","2","x170242","","10.1107/S2414314617002425","","","1.54184","CuKα","","0.0375","0.0334","","","0.0824","0.0853","","","","","","1.05","","","","has coordinates,has Fobs","193967","2020-10-21","18:00:00",""
"1545504","10.7224","0.0001","11.1042","0.0002","14.7761","0.0002","90","","96.078","0.001","90","","1749.41","0.04","150","2","150","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","Tetrakis(μ-benzoato-κ^2^<i>O</i>:<i>O</i>')bis[(piperidine-κ<i>N</i>)rhodium]","","- C38 H42 N2 O8 Rh2 -","- C38 H42 N2 O8 Rh2 -","- C76 H84 N4 O16 Rh4 -","2","0.5","","Selent, Detlef; Drexler, Hans-Joachim","Tetrakis(μ-benzoato-κ^2^<i>O</i>:<i>O</i>')bis[(piperidine-κ<i>N</i>)rhodium]","IUCrData","2017","2","2","x170205","","10.1107/S241431461700205X","","","0.71073","MoKα","","0.0236","0.021","","","0.0528","0.0545","","","","","","1.053","","","","has coordinates,has Fobs","193968","2020-10-21","18:00:00",""
"1545505","12.632","0.0006","9.3954","0.0004","12.3733","0.0006","90","","102.708","0.001","90","","1432.52","0.11","296","2","296","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","1-(3-Phenyl-1<i>H</i>-pyrazol-5-yl)-1,2,3,4-tetrahydroquinoxaline-2,3-dione","","- C17 H12 N4 O2 -","- C17 H12 N4 O2 -","- C68 H48 N16 O8 -","4","1","HB4111","Ghomsi Nathan, Joseph Tene; Hamou Ahabchane, Noureddine; Sebbar, Nada Kheira; Essassi, El Mokhtar; Mague, Joel T.","1-(3-Phenyl-1<i>H</i>-pyrazol-5-yl)-1,2,3,4-tetrahydroquinoxaline-2,3-dione","IUCrData","2017","2","2","x170073","","10.1107/S2414314617000736","","","0.71073","MoKα","","0.071","0.0519","","","0.1392","0.1529","","","","","","1.052","","","","has coordinates,has disorder,has Fobs","193969","2020-10-21","18:00:00",""
"1545506","11.6326","0.0005","6.1866","0.0002","20.1712","0.0008","90","","98.023","0.002","90","","1437.44","0.1","173","2","173","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","(<i>E</i>)-1-[2-(3,4-Dimethylphenyl)diazen-2-ium-1-yl]naphthalen-2-olate","","- C18 H16 N2 O -","- C18 H16 N2 O -","- C72 H64 N8 O4 -","4","1","HB4118","Chetioui, Souheyla; Boutebdja, Mehdi; Boudraa, Mhamed; Touzani, Rachid; Merazig, Hocine","(<i>E</i>)-1-[2-(3,4-Dimethylphenyl)diazen-2-ium-1-yl]naphthalen-2-olate","IUCrData","2017","2","2","x170259","","10.1107/S2414314617002590","","","0.71073","MoKα","","0.0735","0.0442","","","0.1061","0.1206","","","","","","1.041","","","","has coordinates,has disorder,has Fobs","193970","2020-10-21","18:00:00",""
"1545507","10.6311","0.0005","11.0403","0.0005","12.034","0.0006","97.594","0.002","92.173","0.002","99.423","0.001","1378.59","0.11","173","2","173","2","","","","","","","","6","P -1","-P 1","2","","4-Iodo-<i>N</i>-(phenylsulfonyl)benzamide hemihydrate","","- C13 H11 I N O3.5 S -","- C13 H11 I N O3.5 S -","- C52 H44 I4 N4 O14 S4 -","4","2","HB4117","Suchetan, P. A.; Sudha, A. G.; Suresha, E.; Lokanath, N. K.; Naveen, S.; Warad, Ismail","4-Iodo-<i>N</i>-(phenylsulfonyl)benzamide hemihydrate","IUCrData","2017","2","2","x170149","","10.1107/S2414314617001493","","","1.54178","CuKα","","0.0421","0.0409","","","0.1123","0.114","","","","","","1.069","","","","has coordinates,has Fobs","214153","2020-10-21","18:00:00",""
"1545508","10.2436","0.0008","4.7669","0.0004","14.1543","0.0011","90","","96.6007","0.0016","90","","686.58","0.1","150","2","150","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","5-Methylbenzo[<i>d</i>][2,1,3]selenadiazole","","- C7 H6 N2 Se -","- C7 H6 N2 Se -","- C28 H24 N8 Se4 -","4","1","RZ4011","Ouahine, Halima; Ait Ali, Mustapha; El Firdoussi, Larbi; Spannenberg, Anke","5-Methylbenzo[<i>d</i>][2,1,3]selenadiazole","IUCrData","2017","2","2","x170226","","10.1107/S2414314617002267","","","0.71073","MoKα","","0.0258","0.0235","","","0.0644","0.0664","","","","","","1.05","","","","has coordinates,has Fobs","193972","2020-10-21","18:00:00",""
"1545509","9.509","0.003","13.094","0.004","15.323","0.005","90","","90","","90","","1907.9","1","173.15","","173.15","","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C22 H21 N O3 S -","- C22 H21 N O3 S -","- C88 H84 N4 O12 S4 -","4","1","","Yang, Zhusheng; Chen, Fei; Zhang, Shuxin; He, Yanmei; Yang, Nianfa; Fan, Qing-Hua","Ruthenium-Catalyzed Enantioselective Hydrogenation of Phenanthridine Derivatives","Organic Letters","2017","","","","","10.1021/acs.orglett.7b00419","","","0.71073","MoKα","","0.1001","0.0918","","","0.1261","0.1289","","","","","","1.272","","","","has coordinates","194012","2020-10-21","18:00:00",""
"1545510","9.2267","0.0003","9.9695","0.0004","28.6206","0.001","90","","90","","90","","2632.68","0.16","100","2","100","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C14 H13 N O3 S -","- C14 H13 N O3 S -","- C112 H104 N8 O24 S8 -","8","1","","Liu, Chengwei; Liu, Yongmei; Liu, Ruzhang; Lalancette, Roger; Szostak, Roman; Szostak, Michal","Palladium-Catalyzed Suzuki‒Miyaura Cross-Coupling of N-Mesylamides by N‒C Cleavage: Electronic Effect of the Mesyl Group","Organic Letters","2017","","","","","10.1021/acs.orglett.7b00373","","","1.54178","CuKα","","0.0288","0.0287","","","0.0756","0.0756","","","","","","1.089","","","","has coordinates","194013","2020-10-21","18:00:00",""
"1545511","10.2323","0.0006","13.2844","0.0007","16.9919","0.0009","100.164","0.003","104.521","0.002","95.151","0.002","2179","0.2","223","2","223","2","","","","","","","","4","P -1","-P 1","2","","","","- C47 H62 N6 Ti -","- C47 H62 N6 Ti -","- C94 H124 N12 Ti2 -","2","1","","Heins, Spencer P.; Wolczanski, Peter T.; Cundari, Thomas R.; MacMillan, Samantha N.","Redox non-innocence permits catalytic nitrene carbonylation by (dadi)TiNAd (Ad = adamantyl)","Chem. Sci.","2017","8","5","3410","","10.1039/C6SC05610E","","","0.71073","MoKα","","0.0639","0.0444","","","0.1066","0.1178","","","","","","1.026","","","","has coordinates,has disorder","196330","2020-10-21","18:00:00",""
"1545512","18.3497","0.0006","10.3436","0.0003","25.5974","0.0008","90","","108.022","0.002","90","","4620.1","0.3","223","2","223","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C46 H55 N4 P Ti -","- C46 H55 N4 P Ti -","- C184 H220 N16 P4 Ti4 -","4","1","","Heins, Spencer P.; Wolczanski, Peter T.; Cundari, Thomas R.; MacMillan, Samantha N.","Redox non-innocence permits catalytic nitrene carbonylation by (dadi)TiNAd (Ad = adamantyl)","Chem. Sci.","2017","8","5","3410","","10.1039/C6SC05610E","","","0.71073","MoKα","","0.0672","0.0471","","","0.1205","0.134","","","","","","1.048","","","","has coordinates","196330","2020-10-21","18:00:00",""
"1545513","13.1179","0.0008","13.2082","0.0008","13.7748","0.0008","105.738","0.003","99.727","0.003","98.022","0.003","2220.5","0.2","223","2","223","2","","","","","","","","5","P -1","-P 1","2","","","","- C49 H62 N4 O Ti -","- C49 H62 N4 O Ti -","- C98 H124 N8 O2 Ti2 -","2","1","","Heins, Spencer P.; Wolczanski, Peter T.; Cundari, Thomas R.; MacMillan, Samantha N.","Redox non-innocence permits catalytic nitrene carbonylation by (dadi)TiNAd (Ad = adamantyl)","Chem. Sci.","2017","8","5","3410","","10.1039/C6SC05610E","","","0.71073","MoKα","","0.0532","0.0433","","","0.1131","0.1215","","","","","","1.041","","","","has coordinates,has disorder","196330","2020-10-21","18:00:00",""
"1545515","8.4867","0.0002","11.5788","0.0002","16.5698","0.0004","90","","92.762","0.004","90","","1626.35","0.06","223","2","223","2","","","","","","","","3","P 1 c 1","P -2yc","7","","","","- C16 H16 I2 -","- C16 H16 I2 -","- C64 H64 I8 -","4","2","","Janhsen, B.; Daniliuc, C. G.; Studer, A.","Intra- versus intermolecular electron transfer in radical nucleophilic aromatic substitution of dihalo(hetero)arenes ‒ a tool for estimating π-conjugation in aromatic systems","Chem. Sci.","2017","8","5","3547","","10.1039/C7SC00100B","","","0.71073","MoKα","","0.0357","0.0335","","","0.0767","0.0786","","","","","","1.07","","","","has coordinates,has disorder","196325","2020-10-21","18:00:00",""
"1545516","11.4988","0.0003","15.9491","0.0003","8.2449","0.0002","90","","97.906","0.001","90","","1497.71","0.06","223","2","223","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C16 H14 I2 -","- C16 H14 I2 -","- C64 H56 I8 -","4","1","","Janhsen, B.; Daniliuc, C. G.; Studer, A.","Intra- versus intermolecular electron transfer in radical nucleophilic aromatic substitution of dihalo(hetero)arenes ‒ a tool for estimating π-conjugation in aromatic systems","Chem. Sci.","2017","8","5","3547","","10.1039/C7SC00100B","","","0.71073","MoKα","","0.0467","0.0383","","","0.0866","0.0932","","","","","","1.058","","","","has coordinates,has disorder","196325","2020-10-21","18:00:00",""
"1545517","10.2417","0.0008","17.4702","0.0014","18.1698","0.0015","117.24","0.003","90.58","0.003","92.649","0.003","2885.6","0.4","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","","","- C66 H62 N7 O7 S -","- C66 H62 N7 O7 S -","- C132 H124 N14 O14 S2 -","2","1","","Martinez-Cuezva, Alberto; Saura-Sanmartin, Adrian; Nicolas-Garcia, Tomas; Navarro, Cristian; Orenes, Raul-Angel; Alajarin, Mateo; Berna, Jose","Photoswitchable interlocked thiodiglycolamide as a cocatalyst of a chalcogeno-Baylis‒Hillman reaction","Chem. Sci.","2017","8","5","3775","","10.1039/C7SC00724H","","","1.54178","CuKα","","0.0497","0.0446","","","0.1443","0.1477","","","","","","1.175","","","","has coordinates,has disorder","196327","2020-10-21","18:00:00",""
"1545518","10.807","0.0002","27","0.0005","28.2406","0.0005","90","","90","","90","","8240.3","0.3","93","","93","","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C52 H54 N2 O5 -","- C52 H54 N2 O5 -","- C416 H432 N16 O40 -","8","2","","Noda, Hidetoshi; Amemiya, Fuyuki; Weidner, Karin; Kumagai, Naoya; Shibasaki, Masakatsu","Catalytic asymmetric synthesis of CF3-substituted tertiary propargylic alcohols via direct aldol reaction of α-N3 amide","Chem. Sci.","2017","8","4","3260","","10.1039/C7SC00330G","","","1.54187","CuKα","","0.1622","0.0734","","","0.1752","0.2217","","","","","","0.956","","","","has coordinates","194996","2020-10-21","18:00:00",""
"1545519","7.3568","0.0006","10.0126","0.0008","10.8607","0.0009","110.106","0.008","95.309","0.007","106.922","0.008","702.02","0.12","93","","93","","","","","","","","","7","P -1","-P 1","2","","","","- C20 H18 Cu F6 N10 O8 S2 -","- C20 H18 Cu F6 N10 O8 S2 -","- C20 H18 Cu F6 N10 O8 S2 -","1","0.5","","Noda, Hidetoshi; Amemiya, Fuyuki; Weidner, Karin; Kumagai, Naoya; Shibasaki, Masakatsu","Catalytic asymmetric synthesis of CF3-substituted tertiary propargylic alcohols via direct aldol reaction of α-N3 amide","Chem. Sci.","2017","8","4","3260","","10.1039/C7SC00330G","","","1.54187","CuKα","","0.1099","0.0797","","","0.1724","0.1943","","","","","","1.027","","","","has coordinates","194996","2020-10-21","18:00:00",""
"1545520","10.7343","0.0003","12.0336","0.0003","28.9712","0.0007","90","","90","","90","","3742.28","0.17","93","","93","","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C19 H13 Cl F3 N5 O2 -","- C19 H13 Cl F3 N5 O2 -","- C152 H104 Cl8 F24 N40 O16 -","8","2","","Noda, Hidetoshi; Amemiya, Fuyuki; Weidner, Karin; Kumagai, Naoya; Shibasaki, Masakatsu","Catalytic asymmetric synthesis of CF3-substituted tertiary propargylic alcohols via direct aldol reaction of α-N3 amide","Chem. Sci.","2017","8","4","3260","","10.1039/C7SC00330G","","","1.54187","CuKα","","0.0974","0.0745","","","0.1069","0.1159","","","","","","0.89","","","","has coordinates","194996","2020-10-21","18:00:00",""
"1545521","8.7557","0.0004","10.3822","0.0004","11.1677","0.0005","63.052","0.004","82.84","0.004","86.27","0.004","897.85","0.07","100.01","0.1","100.01","0.1","","","","","","","","3","P -1","-P 1","2","","","","- C22 H20 O6 -","- C22 H20 O6 -","- C44 H40 O12 -","2","1","","Cretenoud, Julien; Özen, Bilal; Schmaltz, Thomas; Görl, Daniel; Fabrizio, Alberto; Corminboeuf, Clémence; Fadaei Tirani, Farzaneh; Scopelliti, Rosario; Frauenrath, Holger","Synthesis and characterization of semiaromatic polyamides comprising benzofurobenzofuran repeating units","Polym. Chem.","2017","8","14","2197","","10.1039/C7PY00129K","","x-ray","1.54184","CuKα","","0.0371","0.0356","","","0.0915","0.0927","","","","","","1.041","","","","has coordinates","195191","2020-10-21","18:00:00",""
"1545522","10.191","0.0003","13.7072","0.0003","19.0724","0.0005","90.789","0.002","103.313","0.003","109.953","0.002","2424.55","0.12","140","0.1","140","0.1","","","","","","","","4","P -1","-P 1","2","","","","- C25 H33 N2 O6.5 -","- C25 H33 N2 O6.5 -","- C100 H132 N8 O26 -","4","2","","Cretenoud, Julien; Özen, Bilal; Schmaltz, Thomas; Görl, Daniel; Fabrizio, Alberto; Corminboeuf, Clémence; Fadaei Tirani, Farzaneh; Scopelliti, Rosario; Frauenrath, Holger","Synthesis and characterization of semiaromatic polyamides comprising benzofurobenzofuran repeating units","Polym. Chem.","2017","8","14","2197","","10.1039/C7PY00129K","","x-ray","1.54184","CuKα","","0.0496","0.0444","","","0.1265","0.1322","","","","","","1.036","","","","has coordinates,has disorder","217275","2020-10-21","18:00:00",""
"1545523","15.4313","0.0007","5.6117","0.0002","22.8702","0.0012","90","","108.713","0.002","90","","1875.77","0.15","293","2","293","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","3-[({[bis(2-Cyanoethyl)carbamothioyl]disulfanyl}methanethioyl)(2-cyanoethyl)amino]propanenitrile","","- C14 H16 N6 S4 -","- C14 H16 N6 S4 -","- C56 H64 N24 S16 -","4","0.5","LH4017","Sonia, A. S.; Baskaran, R.; Selvanayagam, S.","Crystal structure of 3-[({[bis(2-cyanoethyl)carbamothioyl]disulfanyl}methanethioyl)(2-cyanoethyl) amino]propanenitrile","IUCrData","2017","2","3","","","10.1107/S2414314617003467","","","0.71073","MoKα","","0.0569","0.0369","","","0.0935","0.1089","","","","","","1.105","","","","has coordinates,has Fobs","194091","2020-10-21","18:00:00",""
"1545524","11.6918","0.0004","9.6408","0.0003","14.6263","0.0005","90","","104.815","0.001","90","","1593.84","0.09","307.1","","307.1","","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C21 H17 N O -","- C21 H17 N O -","- C84 H68 N4 O4 -","4","1","","Nayak, Maloy; Kang, Young Kee; Kim, Ikyon","Altering the Cyclization Modes: Temperature-Dependent Intramolecular 7-Endo-Dig vs 6-Endo-Dig Electrophilic Ring Closures.","Organic letters","2017","19","6","1474","1477","10.1021/acs.orglett.7b00472","","","0.71073","MoKα","","0.0575","0.0426","","","0.1082","0.1184","","","","","","1.035","","","","has coordinates","194883","2020-10-21","18:00:00",""
"1545525","8.9477","0.0006","9.8191","0.0006","10.1325","0.0006","100.835","0.003","102.579","0.003","115.911","0.003","739.75","0.09","305.3","","305.3","","","","","","","","","4","P -1","-P 1","2","","","","- C20 H15 N O -","- C20 H15 N O -","- C40 H30 N2 O2 -","2","1","","Nayak, Maloy; Kang, Young Kee; Kim, Ikyon","Altering the Cyclization Modes: Temperature-Dependent Intramolecular 7-Endo-Dig vs 6-Endo-Dig Electrophilic Ring Closures.","Organic letters","2017","19","6","1474","1477","10.1021/acs.orglett.7b00472","","","0.71073","MoKα","","0.0979","0.0468","","","0.0974","0.1152","","","","","","1.014","","","","has coordinates","194883","2020-10-21","18:00:00",""
"1545526","12.6825","0.0002","14.4458","0.0002","13.1365","0.0002","90","","90","","90","","2406.72","0.06","173","2","173","2","","","","","","","","3","P n a 21","P 2c -2n","33","","","","- C32 H24 N2 -","- C32 H24 N2 -","- C128 H96 N8 -","4","1","","Kim, Og Soon; Jang, Jin Hyeok; Kim, Hyun Tae; Han, Su Jin; Tsui, Gavin Chit; Joo, Jung Min","Synthesis of Fluorescent Indazoles by Palladium-Catalyzed Benzannulation of Pyrazoles with Alkynes.","Organic letters","2017","19","6","1450","1453","10.1021/acs.orglett.7b00410","","","0.71073","MoKα","","0.0549","0.0447","","","0.1201","0.1263","","","","","","1.04","","","","has coordinates","194886","2020-10-21","18:00:00",""
"1545527","13.7779","0.0004","14.7189","0.0004","21.2291","0.0006","90","","90","","90","","4305.2","0.2","100","2","100","","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C40 H58 N2 Na O7 P3 -","- C40 H58 N2 Na O7 P3 -","- C160 H232 N8 Na4 O28 P12 -","4","1","","Hansmann, Max M.; Ruiz, David A.; Liu, Liu (Leo); Jazzar, Rodolphe; Bertrand, Guy","(Phosphanyl)phosphaketenes as building blocks for novel phosphorus heterocycles","Chem. Sci.","2017","8","5","3720","","10.1039/C7SC00300E","","x-ray","1.54178","CuKα","K-L~3~","0.0649","0.0622","","","0.1736","0.1762","","","","","","1.055","","","","has coordinates,has disorder","196324","2020-10-21","18:00:00",""
"1545528","14.0829","0.0009","20.6872","0.0019","15.9795","0.0014","90","","99.559","0.005","90","","4590.8","0.7","100","","100","","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C45 H38 B F15 N2 O P2 -","- C45 H38 B F15 N2 O P2 -","- C180 H152 B4 F60 N8 O4 P8 -","4","1","","Hansmann, Max M.; Ruiz, David A.; Liu, Liu (Leo); Jazzar, Rodolphe; Bertrand, Guy","(Phosphanyl)phosphaketenes as building blocks for novel phosphorus heterocycles","Chem. Sci.","2017","8","5","3720","","10.1039/C7SC00300E","","x-ray","0.71073","MoKα","K-L~3~","0.1148","0.0572","","","0.1234","0.1501","","","","","","0.983","","","","has coordinates","196324","2020-10-21","18:00:00",""
"1545529","12.9335","0.0012","20.866","0.0018","10.2861","0.0009","90","","90","","90","","2775.9","0.4","100","","100","","","","","","","","","6","P n m a","-P 2ac 2n","62","","","","- C27 H41 B N2 O P2 -","- C27.0002 H41 B1.0002 N2 O1.0002 P2 -","- C108.001 H164 B4.0008 N8 O4.0008 P8 -","4","0.5","","Hansmann, Max M.; Ruiz, David A.; Liu, Liu (Leo); Jazzar, Rodolphe; Bertrand, Guy","(Phosphanyl)phosphaketenes as building blocks for novel phosphorus heterocycles","Chem. Sci.","2017","8","5","3720","","10.1039/C7SC00300E","","x-ray","1.54178","CuKα","K-L~3~","0.0641","0.0597","","","0.1716","0.1764","","","","","","1.082","","","","has coordinates,has disorder","196324","2020-10-21","18:00:00",""
"1545530","14.6157","0.0011","18.3339","0.0015","23.554","0.002","85.401","0.007","81.374","0.006","78.671","0.005","6110.2","0.9","100","","100","","","","","","","","","6","P -1","-P 1","2","","10_polym","","- C218 H276 N4 Na2 O6 P6 -","- C218 H276 N4 Na2 O6 P6 -","- C218 H276 N4 Na2 O6 P6 -","1","0.5","","Hansmann, Max M.; Ruiz, David A.; Liu, Liu (Leo); Jazzar, Rodolphe; Bertrand, Guy","(Phosphanyl)phosphaketenes as building blocks for novel phosphorus heterocycles","Chem. Sci.","2017","8","5","3720","","10.1039/C7SC00300E","","x-ray","1.54178","CuKα","K-L~3~","0.1025","0.085","","","0.2248","0.2404","","","","","","1.02","","","","has coordinates,has disorder","196324","2020-10-21","18:00:00",""
"1545531","21.5089","0.0011","17.8123","0.0009","9.2449","0.0005","90","","90","","90","","3541.9","0.3","100.15","","100.15","","","","","","","","","5","P n m a","-P 2ac 2n","62","","AdamPPCO","","- C38 H53 N3 O P2 -","- C38 H53 N3 O P2 -","- C152 H212 N12 O4 P8 -","4","0.5","","Hansmann, Max M.; Ruiz, David A.; Liu, Liu (Leo); Jazzar, Rodolphe; Bertrand, Guy","(Phosphanyl)phosphaketenes as building blocks for novel phosphorus heterocycles","Chem. Sci.","2017","8","5","3720","","10.1039/C7SC00300E","","x-ray","0.71073","MoKα","K-L~3~","0.0724","0.0483","","","0.1031","0.114","","","","","","1.059","","","","has coordinates","196324","2020-10-21","18:00:00",""
"1545532","27.6426","0.0013","11.7291","0.0006","24.5253","0.0012","90","","103.246","0.002","90","","7740.1","0.7","100","","100","","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C70 H99 N5 Na2 O11 P6 -","- C70 H99 N5 Na2 O11 P6 -","- C280 H396 N20 Na8 O44 P24 -","4","1","","Hansmann, Max M.; Ruiz, David A.; Liu, Liu (Leo); Jazzar, Rodolphe; Bertrand, Guy","(Phosphanyl)phosphaketenes as building blocks for novel phosphorus heterocycles","Chem. Sci.","2017","8","5","3720","","10.1039/C7SC00300E","","x-ray","1.54178","CuKα","K-L~3~","0.0409","0.0355","","","0.0924","0.0961","","","","","","1.029","","","","has coordinates,has disorder","196324","2020-10-21","18:00:00",""
"1545533","7.472","0.0015","20.571","0.004","24.604","0.005","69.4","0.03","84.5","0.03","85.66","0.03","3520.1","1.4","100","2","100","2","","","","","","","","4","P -1","-P 1","2","","","","- C56.5 H55.25 N8 O17.25 -","- C56 H53.25 N8 O16.25 -","- C112 H106.5 N16 O32.5 -","2","1","","Hu, Xiaobo; Dawson, Simon J.; Mandal, Pradeep K.; de Hatten, Xavier; Baptiste, Benoit; Huc, Ivan","Optimizing side chains for crystal growth from water: a case study of aromatic amide foldamers","Chem. Sci.","2017","8","5","3741","","10.1039/C7SC00430C","","","0.77492","synchrotron","","0.163","0.13","","","0.3808","0.4082","","","","","","1.643","","","","has coordinates","196328","2020-10-21","18:00:00",""
"1545534","34.1155","0.0011","45.9981","0.0011","33.3135","0.0014","90","","109.407","0.004","90","","49307","3","130","2","130","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C172 H112 Ca2 N32 O111 S8 -","- C172 H112 Ca2 N32 O111 S8 -","- C1376 H896 Ca16 N256 O888 S64 -","8","1","","Hu, Xiaobo; Dawson, Simon J.; Mandal, Pradeep K.; de Hatten, Xavier; Baptiste, Benoit; Huc, Ivan","Optimizing side chains for crystal growth from water: a case study of aromatic amide foldamers","Chem. Sci.","2017","8","5","3741","","10.1039/C7SC00430C","","","1.54178","CuKα","","0.2003","0.1324","","","0.3635","0.4119","","","","","","1.48","","","","has coordinates,has disorder","196328","2020-10-21","18:00:00",""
"1545535","28.255","0.004","51.842","0.007","30.331","0.004","90","","110.957","0.002","90","","41490","10","100","2","100","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C103 H97 N16 O38.5 -","- C99.25 H57.5 N16 O33.75 -","- C1588 H920 N256 O540 -","16","4","","Hu, Xiaobo; Dawson, Simon J.; Mandal, Pradeep K.; de Hatten, Xavier; Baptiste, Benoit; Huc, Ivan","Optimizing side chains for crystal growth from water: a case study of aromatic amide foldamers","Chem. Sci.","2017","8","5","3741","","10.1039/C7SC00430C","","","1.54178","CuKα","","0.2844","0.1773","","","0.4532","0.5229","","","","","","1.688","","","","has coordinates","214153","2020-10-21","18:00:00",""
"1545536","34.859","0.007","29.286","0.006","51.432","0.01","90","","90","","90","","52506","18","100","2","100","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C205.5 H135.5 Ca6.25 N32 O82.5 -","- C205.5 H135.5 Ca6.25 N32 O82.5 -","- C1644 H1084 Ca50 N256 O660 -","8","1","","Hu, Xiaobo; Dawson, Simon J.; Mandal, Pradeep K.; de Hatten, Xavier; Baptiste, Benoit; Huc, Ivan","Optimizing side chains for crystal growth from water: a case study of aromatic amide foldamers","Chem. Sci.","2017","8","5","3741","","10.1039/C7SC00430C","","","0.8856","synchrotron","","0.1603","0.1568","","","0.5004","0.5118","","","","","","2.893","","","","has coordinates,has disorder","196328","2020-10-21","18:00:00",""
"1545537","23.14","0.0018","5.19","0.0008","21.2642","0.0019","90","","111.714","0.017","90","","2372.5","0.5","298","2","298","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","ACEMETACIN2PYRIDONE","","","- C26 H23 Cl N2 O7 -","- C26 H23 Cl N2 O7 -","- C104 H92 Cl4 N8 O28 -","4","1","","Bolla, Geetha; Chernyshev, Vladimir; Nangia, Ashwini","Acemetacin cocrystal structures by powder X-ray diffraction","IUCrJ","2017","4","3","","","10.1107/S2052252517002305","powder diffraction","","1.54059","CuKα~1~","","","","","","","","","0.0524","1.433","","","","","","","has coordinates","194124","2020-10-21","18:00:00",""
"1545538","21.348","0.002","4.1931","0.0012","15.2174","0.0019","90.567","0.017","101.4","0.02","89.473","0.016","1335.2","0.4","298","2","298","2","","","","","","","","5","P -1","-P 1","2","ACEMETACINNICOTINAMIDEFORMII","","","- C27 H26 Cl N3 O8 -","- C27 H26 Cl N3 O8 -","- C54 H52 Cl2 N6 O16 -","2","1","","Bolla, Geetha; Chernyshev, Vladimir; Nangia, Ashwini","Acemetacin cocrystal structures by powder X-ray diffraction","IUCrJ","2017","4","3","","","10.1107/S2052252517002305","powder diffraction","","1.54059","CuKα~1~","","","","","","","","","0.0363","1.198","","","","","","","has coordinates","194124","2020-10-21","18:00:00",""
"1545539","4.8977","0.0011","40.914","0.004","12.8874","0.0019","90","","100.328","0.018","90","","2540.6","0.7","298","2","298","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","ACEMETACINNICOTINAMIDEFORMI","","","- C27 H24 Cl N3 O7 -","- C27 H24 Cl N3 O7 -","- C108 H96 Cl4 N12 O28 -","4","1","","Bolla, Geetha; Chernyshev, Vladimir; Nangia, Ashwini","Acemetacin cocrystal structures by powder X-ray diffraction","IUCrJ","2017","4","3","","","10.1107/S2052252517002305","powder diffraction","","1.54059","CuKα~1~","","","","","","","","","0.0358","1.076","","","","","","","has coordinates","194124","2020-10-21","18:00:00",""
"1545540","17.2939","0.0018","4.8191","0.0007","16.9544","0.0015","90","","113.529","0.017","90","","1295.5","0.3","298","2","298","2","","","","","","","","5","P 1 21 1","P 2yb","4","ACEMETACINPABA","","","- C28 H25 Cl N2 O8 -","- C28 H25 Cl N2 O8 -","- C56 H50 Cl2 N4 O16 -","2","1","","Bolla, Geetha; Chernyshev, Vladimir; Nangia, Ashwini","Acemetacin cocrystal structures by powder X-ray diffraction","IUCrJ","2017","4","3","","","10.1107/S2052252517002305","powder diffraction","","1.54059","CuKα~1~","","","","","","","","","0.0404","1.365","","","","","","","has coordinates","194124","2020-10-21","18:00:00",""
"1545541","11.7638","0.0012","20.5548","0.0019","5.1627","0.0009","89.543","0.014","93.3","0.016","96.276","0.017","1238.8","0.3","298","2","298","2","","","","","","","","5","P -1","-P 1","2","ACEMETACINVLM","","","- C26 H27 Cl N2 O7 -","- C26 H27 Cl N2 O7 -","- C52 H54 Cl2 N4 O14 -","2","1","","Bolla, Geetha; Chernyshev, Vladimir; Nangia, Ashwini","Acemetacin cocrystal structures by powder X-ray diffraction","IUCrJ","2017","4","3","","","10.1107/S2052252517002305","powder diffraction","","1.54059","CuKα~1~","","","","","","","","","0.0555","1.549","","","","","","","has coordinates","194124","2020-10-21","18:00:00",""
"1545543","25.3774","0.0004","8.3627","0.0002","19.7264","0.0004","90","","116.32","0.001","90","","3752.41","0.14","180","2","180","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C29 H50 Cl2 N2 O12 Pd3 -","- C29 H50 Cl2.0001 N2 O12 Pd3 -","- C116 H200 Cl8.0004 N8 O48 Pd12 -","4","0.5","","He, Chuan; Gaunt, Matthew J.","Ligand-assisted palladium-catalyzed C‒H alkenylation of aliphatic amines for the synthesis of functionalized pyrrolidines","Chem. Sci.","2017","8","5","3586","","10.1039/C7SC00468K","","","0.71073","MoKα","","0.068","0.0503","","","0.1271","0.1375","","","","","","1.023","","","","has coordinates","196326","2020-10-21","18:00:00",""
"1545544","7.9846","0.0002","17.4996","0.0004","11.4514","0.0003","90","","93.064","0.001","90","","1597.79","0.07","200","2","200","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C12 H10 N6 O7 Pb -","- C12 H10 N6 O7 Pb -","- C48 H40 N24 O28 Pb4 -","4","1","","Southern, Scott Alexander; Errulat, Dylan; Frost, Jamie; Gabidullin, Bulat; Bryce, David L.","FDHALO17: Prospects for 207Pb Solid-State NMR Studies of Lead Tetrel Bonds","Faraday Discuss.","2017","","","","","10.1039/C7FD00087A","","","0.71073","MoKα","","0.0318","0.0258","","","0.0615","0.0639","","","","","","1.082","","","","has coordinates","194150","2020-10-21","18:00:00",""
"1545545","12.964","0.004","8.401","0.003","18.917","0.006","90","","105.216","0.003","90","","1988","1.1","200","2","200","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C16 H15 N6 O2 Pb S2 -","- C16 H15 N6 O2 Pb S2 -","- C64 H60 N24 O8 Pb4 S8 -","4","1","","Southern, Scott Alexander; Errulat, Dylan; Frost, Jamie; Gabidullin, Bulat; Bryce, David L.","FDHALO17: Prospects for 207Pb Solid-State NMR Studies of Lead Tetrel Bonds","Faraday Discuss.","2017","","","","","10.1039/C7FD00087A","","","0.71073","MoKα","","0.031","0.0253","","","0.0682","0.0715","","","","","","1.038","","","","has coordinates","194150","2020-10-21","18:00:00",""
"1545546","14.0154","0.0006","12.5288","0.0005","16.4104","0.0006","90","","90","","90","","2881.6","0.2","200","2","200","2","","","","","","","","6","P b c a","-P 2ac 2ab","61","","","","- C12 H10 Cl2 N4 O Pb -","- C12 H10 Cl2 N4 O Pb -","- C96 H80 Cl16 N32 O8 Pb8 -","8","1","","Southern, Scott Alexander; Errulat, Dylan; Frost, Jamie; Gabidullin, Bulat; Bryce, David L.","FDHALO17: Prospects for 207Pb Solid-State NMR Studies of Lead Tetrel Bonds","Faraday Discuss.","2017","","","","","10.1039/C7FD00087A","","","0.71073","MoKα","","0.1219","0.0657","","","0.0898","0.1021","","","","","","1.108","","","","has coordinates","194150","2020-10-21","18:00:00",""
"1545548","7.7503","0.0003","8.9174","0.0004","26.8821","0.0011","90","","90.435","0.002","90","","1857.84","0.13","100","2","100","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C21 H23 Cl F N O2 -","- C21 H23 Cl F N O2 -","- C84 H92 Cl4 F4 N4 O8 -","4","1","","Lee, Hung Lin; Vasoya, Jaydip M.; Cirqueira, Marilia de Lima; Yeh, Kuan Lin; Lee, Tu; Serajuddin, Abu T. M.","Continuous Preparation of 1:1 Haloperidol-Maleic Acid Salt by a Novel Solvent-Free Method Using a Twin Screw Melt Extruder.","Molecular pharmaceutics","2017","14","4","1278","1291","10.1021/acs.molpharmaceut.7b00003","","","0.71073","MoKα","","0.0422","0.0349","","","0.0949","0.1051","","","","","","1.088","","","","has coordinates","194862","2020-10-21","18:00:00",""
"1545549","28.579","0.008","28.912","0.008","33.323","0.008","90","","90","","90","","27534","13","125","2","125","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C61 H48 N8 S9 U2 -","- C61 H48 N8 S9 U2 -","- C732 H576 N96 S108 U24 -","12","3","","Arnold, Polly L.; Stevens, Charlotte J.; Bell, Nicola L.; Lord, Rianne M.; Goldberg, Jonathan M.; Nichol, Gary S.; Love, Jason B.","Multi-electron reduction of sulfur and carbon disulfide using binuclear uranium(iii) borohydride complexes","Chem. Sci.","2017","8","5","3609","","10.1039/C7SC00382J","","","1.54187","CuKα","","0.1886","0.1684","","","0.4167","0.4471","","","","","","1.456","","","","has coordinates","214153","2020-10-21","18:00:00",""
"1545550","17.3745","0.0005","34.224","0.0008","17.013","0.0005","90","","112.037","0.003","90","","9377.3","0.5","170","2","170","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C100 H112 N8 O2 S2 U2 -","- C100 H112 N8 O2 S2 U2 -","- C400 H448 N32 O8 S8 U8 -","4","0.5","","Arnold, Polly L.; Stevens, Charlotte J.; Bell, Nicola L.; Lord, Rianne M.; Goldberg, Jonathan M.; Nichol, Gary S.; Love, Jason B.","Multi-electron reduction of sulfur and carbon disulfide using binuclear uranium(iii) borohydride complexes","Chem. Sci.","2017","8","5","3609","","10.1039/C7SC00382J","","","0.71073","MoKα","","0.0648","0.039","","","0.0916","0.1019","","","","","","0.804","","","","has coordinates","196334","2020-10-21","18:00:00",""
"1545551","15.9605","0.0003","16.6905","0.0003","18.0699","0.0004","67.132","0.002","86.551","0.002","82.45","0.002","4396.61","0.16","170","2","170","2","","","","","","","","6","P -1","-P 1","2","","","","- C101 H105 N8 O2 S U2 -","- C101 H105 N8 O2 S U2 -","- C202 H210 N16 O4 S2 U4 -","2","1","","Arnold, Polly L.; Stevens, Charlotte J.; Bell, Nicola L.; Lord, Rianne M.; Goldberg, Jonathan M.; Nichol, Gary S.; Love, Jason B.","Multi-electron reduction of sulfur and carbon disulfide using binuclear uranium(iii) borohydride complexes","Chem. Sci.","2017","8","5","3609","","10.1039/C7SC00382J","","","0.71073","MoKα","","0.0771","0.0581","","","0.1282","0.1407","","","","","","1.049","","","","has coordinates","196334","2020-10-21","18:00:00",""
"1545552","29.6933","0.0004","29.9161","0.0004","10.8656","0.0001","90","","90","","90","","9652","0.2","120","2","120","2","","","","","","","","7","P n m a","-P 2ac 2n","62","","","","- C106 H130 B K N8 O5 U2 -","- C106 H130 B K N8 O5 U2 -","- C424 H520 B4 K4 N32 O20 U8 -","4","0.5","","Arnold, Polly L.; Stevens, Charlotte J.; Bell, Nicola L.; Lord, Rianne M.; Goldberg, Jonathan M.; Nichol, Gary S.; Love, Jason B.","Multi-electron reduction of sulfur and carbon disulfide using binuclear uranium(iii) borohydride complexes","Chem. Sci.","2017","8","5","3609","","10.1039/C7SC00382J","","","1.54184","CuKα","","0.0626","0.047","","","0.1173","0.1305","","","","","","1.064","","","","has coordinates,has disorder","196334","2020-10-21","18:00:00",""
"1545553","15.5798","0.0008","33.7862","0.0017","20.7334","0.0012","90","","105.543","0.006","90","","10514.6","1","170","2","170","2","","","","","","","","7","C 1 2/c 1","-C 2yc","15","","","","- C110 H138 B N8 Na O6 U2 -","- C110 H138 B N8 Na O6 U2 -","- C440 H552 B4 N32 Na4 O24 U8 -","4","0.5","","Arnold, Polly L.; Stevens, Charlotte J.; Bell, Nicola L.; Lord, Rianne M.; Goldberg, Jonathan M.; Nichol, Gary S.; Love, Jason B.","Multi-electron reduction of sulfur and carbon disulfide using binuclear uranium(iii) borohydride complexes","Chem. Sci.","2017","8","5","3609","","10.1039/C7SC00382J","","","0.71073","MoKα","","0.0948","0.0586","","","0.0996","0.1078","","","","","","1.081","","","","has coordinates,has disorder","196334","2020-10-21","18:00:00",""
"1545554","5.874","0.0019","21.077","0.007","5.974","0.002","90","","110.372","0.013","90","","693.4","0.4","100","","100","","","","","","","","","3","P 1 21/n 1","-P 2yn","14","VAZO-88","(<i>E</i>)-1,1'-(Diazene-1,2-diyl)bis(cyclohexane-1-carbonitrile)","","- C14 H20 N4 -","- C14 H20 N4 -","- C28 H40 N8 -","2","0.5","","Begum, Farzana; Twamley, Brendan; Baker, Robert J.","(<i>E</i>)-1,1'-(Diazene-1,2-diyl)bis(cyclohexane-1-carbonitrile)","IUCrData","2017","2","3","x170369","","10.1107/S2414314617003698","","","1.54184","CuKα","","0.061","0.0585","","","0.1571","0.1595","","","","","","1.061","","","","has coordinates,has Fobs","194186","2020-10-21","18:00:00",""
"1545555","8.1107","0.0004","8.2615","0.0004","11.2048","0.0005","86.791","0.002","70.625","0.002","85.783","0.002","705.96","0.06","100","2","100","2","","","","","","","","6","P -1","-P 1","2","","3,5-Dichloro-<i>N</i>-(2,4-dichlorophenyl)benzenesulfonamide","","- C12 H7 Cl4 N O2 S -","- C12 H7 Cl4 N O2 S -","- C24 H14 Cl8 N2 O4 S2 -","2","1","SJ4094","Shakuntala, K.; Lokanath, N. K.; Naveen, S.; Suchetan, P. A.","3,5-Dichloro-<i>N</i>-(2,4-dichlorophenyl)benzenesulfonamide","IUCrData","2017","2","3","x170372","","10.1107/S2414314617003728","","","1.54178","CuKα","","0.0655","0.0633","","","0.1818","0.1902","","","","","","1.075","","","","has coordinates,has Fobs","194187","2020-10-21","18:00:00",""
"1545556","10.857","0.0005","9.0549","0.0004","14.955","0.0007","90","","91.006","0.004","90","","1469.99","0.12","173","2","173","0.14","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","1-(7-Isopropyl-2,5-dimethyl-8-nitronaphthalen-1-yl)ethanone","","- C17 H19 N O3 -","- C17 H19 N O3 -","- C68 H76 N4 O12 -","4","1","","Ait Elhad, Mustapha; Benharref, Ahmed; Taourirte, Moha; Daran, Jean-Claude; Oukhrib, Abdelouahd; Berraho, Moha","1-(7-Isopropyl-2,5-dimethyl-8-nitronaphthalen-1-yl)ethanone","IUCrData","2017","2","3","x170368","","10.1107/S2414314617003686","","","0.71073","MoKα","","0.045","0.0374","","","0.0981","0.1033","","","","","","1.045","","","","has coordinates,has Fobs","194188","2020-10-21","18:00:00",""
"1545557","6.1673","0.0003","13.0059","0.0007","17.6433","0.0009","90","","90","","90","","1415.19","0.13","100","2","100","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","3,5-Dichloro-<i>N</i>-(4-methylphenyl)benzenesulfonamide","","- C13 H11 Cl2 N O2 S -","- C13 H11 Cl2 N O2 S -","- C52 H44 Cl8 N4 O8 S4 -","4","1","","Shakuntala, K.; Naveen, S.; Lokanath, N. K.; Suchetan, P. A.","3,5-Dichloro-<i>N</i>-(4-methylphenyl)benzenesulfonamide","IUCrData","2017","2","3","x170375","","10.1107/S2414314617003753","","","1.54178","CuKα","","0.0526","0.0515","","","0.1367","0.1379","","","","","","0.992","","","","has coordinates,has Fobs","194189","2020-10-21","18:00:00",""
"1545558","7.9086","0.0016","6.7115","0.001","22.64","0.003","90","","96.744","0.016","90","","1193.4","0.3","293","2","293","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","6-Chloro-3-(2,2-dibromoacetyl)-2<i>H</i>-chromen-2-one","","- C11 H5 Br2 Cl O3 -","- C11 H5 Br2 Cl O3 -","- C44 H20 Br8 Cl4 O12 -","4","1","HB4128","Yarbagi, K. M.; Chennuru, R.; Paul, D.; Venkateswara Rao, B.; Mahapatra, S.","6-Chloro-3-(2,2-dibromoacetyl)-2<i>H</i>-chromen-2-one","IUCrData","2017","2","3","x170356","","10.1107/S241431461700356X","","","0.71073","MoKα","","0.0958","0.0352","","","0.0674","0.0744","","","","","","0.821","","","","has coordinates,has Fobs","194190","2020-10-21","18:00:00",""
"1545559","7.1044","0.001","10.5317","0.0015","12.2598","0.0017","108.078","0.004","93.481","0.005","101.484","0.004","847.1","0.2","200","2","200","","","","","","","","","5","P -1","-P 1","2","","5,6-Dibromo-1<i>H</i>-indole-2,3-dione","","- C8 H3 Br2 N O2 -","- C8 H3 Br2 N O2 -","- C32 H12 Br8 N4 O8 -","4","2","","Golen, James A.; Manke, David R.","5,6-Dibromo-1<i>H</i>-indole-2,3-dione","IUCrData","2017","2","3","x170355","","10.1107/S2414314617003558","","","0.71073","MoKα","","0.0266","0.0197","","","0.0443","0.047","","","","","","1.043","","","","has coordinates,has Fobs","194191","2020-10-21","18:00:00",""
"1545560","4.7931","0.0007","10.4177","0.0015","33.685","0.005","90","","90","","90","","1682","0.4","293","2","293","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","4-Chloro-5-(morpholin-4-yl)-2-[(5-phenyl-1,3,4-oxadiazole-2-yl)methyl]pyridazin-3(2<i>H</i>)-one","","- C17 H16 Cl N5 O3 -","- C17 H16 Cl N5 O3 -","- C68 H64 Cl4 N20 O12 -","4","1","","Sun, Yanwen; Wu, Haolei; Wei, Changheng; Gao, Mei; Shen, Zeyi; Li, Hongsen","4-Chloro-5-(morpholin-4-yl)-2-[(5-phenyl-1,3,4-oxadiazole-2-yl)methyl]pyridazin-3(2<i>H</i>)-one","IUCrData","2017","2","3","x170370","","10.1107/S2414314617003704","","","0.71073","MoKα","","0.0455","0.0409","","","0.0934","0.0962","","","","","","1.073","","","","has coordinates,has Fobs","194192","2020-10-21","18:00:00",""
"1545561","9.7456","0.0005","14.1679","0.0005","6.2215","0.0002","90","","106.761","0.002","90","","822.54","0.06","296","2","296","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C9 H9 N O2 -","- C9 H9 N O2 -","- C36 H36 N4 O8 -","4","1","","Reddy, Mallu Kesava; Mallik, Sumitava; Ramakrishna, Isai; Baidya, Mahiuddin","Nitrosocarbonyl-Henry and Denitration Cascade: Synthesis of α-Ketoamides and α-Keto Oximes.","Organic letters","2017","19","7","1694","1697","10.1021/acs.orglett.7b00482","","","0.71073","MoKα","","0.0532","0.0378","","","0.0946","0.1057","","","","","","1.077","","","","has coordinates","196182","2020-10-21","18:00:00",""
"1545562","7.1293","0.0003","8.5344","0.0003","12.1967","0.0005","92.8941","0.0017","92.3808","0.0019","99.1117","0.0017","730.88","0.05","296","2","296","2","","","","","","","","5","P -1","-P 1","2","","","","- C16 H12 Cl N O4 -","- C16 H12 Cl N O4 -","- C32 H24 Cl2 N2 O8 -","2","1","","Reddy, Mallu Kesava; Mallik, Sumitava; Ramakrishna, Isai; Baidya, Mahiuddin","Nitrosocarbonyl-Henry and Denitration Cascade: Synthesis of α-Ketoamides and α-Keto Oximes.","Organic letters","2017","19","7","1694","1697","10.1021/acs.orglett.7b00482","","","0.71073","MoKα","","0.0689","0.0489","","","0.117","0.1326","","","","","","1.057","","","","has coordinates","196182","2020-10-21","18:00:00",""
"1545563","8.799","0.0018","12.568","0.003","22.97","0.005","90","","97.36","0.03","90","","2519.2","1","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C27 H30 N2 O4 S -","- C27 H30 N2 O4 S -","- C108 H120 N8 O16 S4 -","4","1","","Zhen, Le; Wang, Jiankun; Xu, Qing-Long; Sun, Hongbin; Wen, Xiaoan; Wang, Guangji","Direct Intermolecular C-H Functionalization Triggered by 1,5-Hydride Shift: Access to N-Arylprolinamides via Ugi-Type Reaction.","Organic letters","2017","19","7","1566","1569","10.1021/acs.orglett.7b00378","","","0.71073","MoKα","","0.1643","0.073","","","0.1593","0.2059","","","","","","1.005","","","","has coordinates","196183","2020-10-21","18:00:00",""
"1545564","10.3342","0.0004","12.1948","0.0005","23.5406","0.001","90","","90","","90","","2966.7","0.2","273","2","273","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C38 H31 N3 O -","- C38 H31 N3 O -","- C152 H124 N12 O4 -","4","1","","Zhu, Zi-Qi; Shen, Yang; Liu, Jin-Xi; Tao, Ji-Yu; Shi, Feng","Enantioselective Direct α-Arylation of Pyrazol-5-ones with 2-Indolylmethanols via Organo-Metal Cooperative Catalysis.","Organic letters","2017","19","7","1542","1545","10.1021/acs.orglett.7b00351","","","1.54178","CuKα","","0.0348","0.0338","","","0.0945","0.0961","","","","","","1.016","","","","has coordinates","196184","2020-10-21","18:00:00",""
"1545565","4.07206","0.00011","11.9589","0.0003","27.5626","0.0007","90","","90.306","0.002","90","","1342.21","0.06","291","2","291.15","","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","3-Benzoyl-7-methoxy-2<i>H</i>-chromen-2-one","","- C17 H12 O4 -","- C17 H12 O4 -","- C68 H48 O16 -","4","1","HB4121","Li, Weijie; Xiao, Yongmei; Yuan, Jinwei; Yang, Liangru; Mao, Pu","3-Benzoyl-7-methoxy-2<i>H</i>-chromen-2-one","IUCrData","2017","2","3","x170373","","10.1107/S241431461700373X","","","1.54184","CuKα","","0.0515","0.0436","","","0.1126","0.1221","","","","","","1.072","","","","has coordinates,has Fobs","194257","2020-10-21","18:00:00",""
"1545566","6.646","0.0007","7.0733","0.0008","17.4356","0.0019","90","","90","","90","","819.63","0.15","173","2","173","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","Potassium tetracyanidoaurate(III) monohydrate","","- C4 H2 Au K N4 O -","- C4 H2 Au K N4 O -","- C16 H8 Au4 K4 N16 O4 -","4","1","WM4042","Matsushita, Nobuyuki; Noguchi, Wataru; Tanaka, Rikako","Potassium tetracyanidoaurate(III) monohydrate: a redetermination","IUCrData","2017","2","3","","","10.1107/S2414314617003820","","","0.71075","MoKα","","0.018","0.0151","","","0.0317","0.0335","","","","","","1.027","","","","has coordinates,has Fobs","194258","2020-10-21","18:00:00",""
"1545567","7.8114","0.001","3.8832","0.0004","24.362","0.003","90","","99.055","0.005","90","","729.77","0.15","200","2","200","","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","7-Methyl-1<i>H</i>-indole-2,3-dione","","- C9 H7 N O2 -","- C9 H7 N O2 -","- C36 H28 N4 O8 -","4","1","SJ4097","Lyncee, Myrria-Tahisha A.; Desikan, Vasumathi; Golen, James A.; Manke, David R.","7-Methyl-1<i>H</i>-indole-2,3-dione","IUCrData","2017","2","3","x170378","","10.1107/S2414314617003789","","","0.71073","MoKα","","0.0452","0.0362","","","0.0841","0.0892","","","","","","1.085","","","","has coordinates,has Fobs","194259","2020-10-21","18:00:00",""
"1545570","13.4135","0.0007","16.7937","0.0009","14.9527","0.0008","90","","119.464","0.002","90","","2932.6","0.3","120","","","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C26 H46 N5 O9 Yb -","- C26 H46 N5 O9 Yb -","- C104 H184 N20 O36 Yb4 -","4","1","","Mason, Kevin; Rogers, Nicola J.; Suturina, Elizaveta A.; Kuprov, Ilya; Aguilar, Juan A.; Batsanov, Andrei S.; Yufit, Dmitry S.; Parker, David","PARASHIFT Probes: Solution NMR and X-ray Structural Studies of Macrocyclic Ytterbium and Yttrium Complexes","Inorganic Chemistry","2017","56","7","4028","4038","10.1021/acs.inorgchem.6b02291","","","","","","","","","","","","","","","","","","","","","has coordinates","282777","2023-04-20","11:56:45",""
"1545571","11.5223","0.0005","11.5593","0.0005","14.854","0.0006","109.544","0.002","94.088","0.002","113.055","0.002","1668.16","0.13","170","2","170","","","","","","","","","3","P 1","P 1","1","","","","- C63 H101 O23 -","- C63 H101 O23 -","- C63 H101 O23 -","1","1","","Wang, Luo-Yi; Qin, Jun-Jun; Chen, Zhen-Hua; Zhou, Yu; Tang, Wei; Zuo, Jian-Ping; Zhao, Wei-Min","Absolute Configuration of Periplosides C and F and Isolation of Minor Spiro-orthoester Group-Containing Pregnane-type Steroidal Glycosides from Periploca sepium and Their T-Lymphocyte Proliferation Inhibitory Activities.","Journal of natural products","2017","80","4","1102","1109","10.1021/acs.jnatprod.7b00017","","","1.54178","CuKα","","0.0422","0.0363","","","0.0906","0.0942","","","","","","1.026","","","","has coordinates","196136","2020-10-21","18:00:00",""
"1545572","9.8524","0.0004","11.3434","0.0004","14.8547","0.0005","90","","97.106","0.002","90","","1647.41","0.1","173","2","173","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C23 H16 N2 O -","- C23 H16 N2 O -","- C92 H64 N8 O4 -","4","1","","Zhang, Ting-Yu; Lin, Jun-Bing; Li, Quan-Zhe; Kang, Jun-Chen; Pan, Jin-Long; Hou, Si-Hua; Chen, Chao; Zhang, Shu-Yu","Copper-Catalyzed Selective ortho-C-H/N-H Annulation of Benzamides with Arynes: Synthesis of Phenanthridinone Alkaloids.","Organic letters","2017","19","7","1764","1767","10.1021/acs.orglett.7b00442","","","1.54178","CuKα","","0.0472","0.0395","","","0.1241","0.1325","","","","","","1.092","","","","has coordinates","196185","2020-10-21","18:00:00",""
"1545573","10.4886","0.0007","20.6885","0.0018","10.5508","0.0007","90","","96.517","0.009","90","","2274.7","0.3","107.1","","107.1","","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C24 H27 N3 O6 -","- C24 H27 N3 O6 -","- C96 H108 N12 O24 -","4","1","","Wang, Chunyu; Wang, Zhonglei; Xie, Xiaoni; Yao, Xiaotong; Li, Guang; Zu, Liansuo","Total Synthesis of (±)-Grandilodine B.","Organic letters","2017","19","7","1828","1830","10.1021/acs.orglett.7b00591","","","0.7107","MoKα","","0.074","0.0524","","","0.1076","0.119","","","","","","1.042","","","","has coordinates","196188","2020-10-21","18:00:00",""
"1545574","7.0297","0.0016","10.925","0.003","15.255","0.003","90","","90","","90","","1171.6","0.5","296","2","296","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C11 H15 N O4 -","- C11 H15 N O4 -","- C44 H60 N4 O16 -","4","1","","Li, Jian Long; Shi, Hong Wei; Wang, Qi; Chai, Yong Hai; Yang, Jun","Synthesis of the ABC Tricyclic System of Daphnicyclidin A.","Organic letters","2017","19","7","1497","1499","10.1021/acs.orglett.7b00230","","","0.71073","MoKα","","0.0393","0.0334","","","0.0757","0.0791","","","","","","1.039","","","","has coordinates","196189","2020-10-21","18:00:00",""
"1545575","6.399","0.003","11.401","0.006","8.532","0.004","90","","91.285","0.008","90","","622.3","0.5","296","2","296","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C14 H19 N O2 -","- C14 H19 N O2 -","- C28 H38 N2 O4 -","2","1","","Li, Jian Long; Shi, Hong Wei; Wang, Qi; Chai, Yong Hai; Yang, Jun","Synthesis of the ABC Tricyclic System of Daphnicyclidin A.","Organic letters","2017","19","7","1497","1499","10.1021/acs.orglett.7b00230","","","0.71073","MoKα","","0.0516","0.0493","","","0.0967","0.0982","","","","","","1.012","","","","has coordinates","196189","2020-10-21","18:00:00",""
"1545576","14.062","0.0004","7.4549","0.0003","18.2784","0.0006","90","","104.22","0.004","90","","1857.43","0.11","173","2","173","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","ethyl (E)-2'-methoxy-5'-(phenyldiazenyl)-[1,1'-biphenyl]-4-carboxylate","","- C22 H20 N2 O3 -","- C22 H20 N2 O3 -","- C88 H80 N8 O12 -","4","1","","Ketels, Marthe; Konrad, David B.; Karaghiosoff, Konstantin; Trauner, Dirk; Knochel, Paul","Selective Lithiation, Magnesiation, and Zincation of Unsymmetrical Azobenzenes Using Continuous Flow","Organic Letters","2017","","","","","10.1021/acs.orglett.7b00460","","","0.71073","MoKα","","0.0702","0.045","","","0.1007","0.1152","","","","","","1.021","","","","has coordinates,has disorder","194277","2020-10-21","18:00:00",""
"1545577","8.1132","0.0002","10.9951","0.0003","11.565","0.0003","63.992","0.002","87.106","0.002","77.999","0.002","905.95","0.04","173","2","173","2","","","","","","","","5","P -1","-P 1","2","","(E)-1-(4-butyl-2,6-dichlorophenyl)-2-(2,6-dichloro-3-iodophenyl)diazene","","- C16 H13 Cl4 I N2 -","- C16 H13 Cl4 I N2 -","- C32 H26 Cl8 I2 N4 -","2","1","","Ketels, Marthe; Konrad, David B.; Karaghiosoff, Konstantin; Trauner, Dirk; Knochel, Paul","Selective Lithiation, Magnesiation, and Zincation of Unsymmetrical Azobenzenes Using Continuous Flow","Organic Letters","2017","","","","","10.1021/acs.orglett.7b00460","","","0.71073","MoKα","","0.0402","0.0315","","","0.0761","0.0818","","","","","","1.033","","","","has coordinates","194278","2020-10-21","18:00:00",""
"1545578","5.6232","0.0002","22.4248","0.0007","5.8554","0.0002","90","","93.3206","0.0016","90","","737.12","0.04","100","2","100.01","","","","","","","","","5","P 1 21/m 1","-P 2yb","11","","","","- C11 H16 Br3 F N2 -","- C11 H16 Br3 F N2 -","- C22 H32 Br6 F2 N4 -","2","0.5","","Rosokha, Sergiy V.","Electron-transfer reactions of halogenated electrophiles: a different look into the nature of halogen bonding","Faraday Discussions","2017","203","","315","332","10.1039/C7FD00074J","","","1.54178","CuKα","","0.022","0.0208","","","0.054","0.0554","","","","","","1.051","","","","has coordinates,has disorder","282777","2023-04-20","11:56:45",""
"1545579","14.0422","0.0003","5.9462","0.0001","20.4996","0.0004","90","","93.4347","0.0011","90","","1708.6","0.06","100","2","100","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C18 H24 Br12 N6 O4 -","- C18 H24 Br12 N6 O4 -","- C36 H48 Br24 N12 O8 -","2","0.5","","Rosokha, Sergiy V.","Electron-transfer reactions of halogenated electrophiles: a different look into the nature of halogen bonding","Faraday Discussions","2017","203","","315","332","10.1039/C7FD00074J","","","0.71073","MoKα","","0.034","0.0221","","","0.0513","0.0674","","","","","","1.111","","","","has coordinates","282777","2023-04-20","11:56:45",""
"1545580","7.5659","0.0001","9.9805","0.0002","10.2418","0.0002","90","","90","","90","","773.37","0.02","150","2","150","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C7 H10 O5 -","- C7 H10 O5 -","- C28 H40 O20 -","4","1","","Gregory, Georgina L.; Kociok-Köhn, Gabriele; Buchard, Antoine","Polymers from sugars and CO2: ring-opening polymerisation and copolymerisation of cyclic carbonates derived from 2-deoxy-d-ribose","Polym. Chem.","2017","8","13","2093","","10.1039/C7PY00236J","","x-ray","1.54184","CuKα","","0.0244","0.0241","","","0.0615","0.062","","","","","","1.06","","","","has coordinates","195190","2020-10-21","18:00:00",""
"1545581","5.8577","0.0001","11.0062","0.0001","11.8828","0.0001","90","","90","","90","","766.096","0.016","150","2","150","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C7 H10 O5 -","- C7 H10 O5 -","- C28 H40 O20 -","4","1","","Gregory, Georgina L.; Kociok-Köhn, Gabriele; Buchard, Antoine","Polymers from sugars and CO2: ring-opening polymerisation and copolymerisation of cyclic carbonates derived from 2-deoxy-d-ribose","Polym. Chem.","2017","8","13","2093","","10.1039/C7PY00236J","","x-ray","1.54184","CuKα","","0.0239","0.0238","","","0.059","0.059","","","","","","1.108","","","","has coordinates","195190","2020-10-21","18:00:00",""
"1545582","12.7908","0.00018","23.3516","0.0002","13.99502","0.00019","90","","117.098","0.0017","90","","3721.26","0.1","100","2","100","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C19 H24 O4 S -","- C19 H24 O4 S -","- C152 H192 O32 S8 -","8","2","","Górski, Bartosz; Talko, Alicja; Basak, Tymoteusz; Barbasiewicz, Michał","Olefination with Sulfonyl Halides and Esters: Scope, Limitations, and Mechanistic Studies of the Hawkins Reaction","Organic Letters","2017","","","","","10.1021/acs.orglett.7b00517","","x-ray","1.54184","CuKα","","0.0385","0.0358","","","0.0963","0.0988","","","","","","1.048","","","","has coordinates","214153","2020-10-21","18:00:00",""
"1545583","11.9012","0.0005","9.9211","0.0003","17.3067","0.0006","90","","107.562","0.001","90","","1948.21","0.12","298","2","298","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C22 H17 Br O2 S -","- C22 H17 Br O2 S -","- C88 H68 Br4 O8 S4 -","4","1","","Yugandar, Somaraju; Konda, Saidulu; Ila, Hiriyakkanavar","Synthesis of Substituted Benzo[b]thiophenes via Sequential One-Pot, Copper-Catalyzed Intermolecular C‒S Bond Formation and Palladium-Catalyzed Intramolecular Arene‒Alkene Coupling of Bis(het)aryl/alkyl-1,3-monothiodiketones and o-Bromoiodoarenes","Organic Letters","2017","","","","","10.1021/acs.orglett.7b00273","","","0.71073","MoKα","","0.0617","0.0425","","","0.0949","0.1046","","","","","","1.027","","","","has coordinates","214153","2020-10-21","18:00:00",""
"1545584","10.717","0.002","15.289","0.003","15.415","0.003","90","","90","","90","","2525.8","0.8","296","2","296","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","CoCoOPh","CoCoOPh","","- C27 H29 Co2 N7 O -","- C27 H29 Co2 N7 O -","- C108 H116 Co8 N28 O4 -","4","1","","Desai, Sai Puneet; Malonzo, Camille; Webber, Thomas; Duan, Jiaxin; Thompson, Anthony B.; Tereniak, Stephen J.; DeStefano, Matthew R.; Buru, Cassandra T.; Li, Zhanyong; Penn, R. Lee; Farha, Omar; Hupp, J. T.; Stein, Andreas; Lu, Connie","Assembly of Dicobalt and Cobalt-Aluminum Oxide Clusters on Metal-Organic Framework and Nanocast Silica Supports","Faraday Discuss.","2017","","","","","10.1039/C7FD00055C","","","0.71073","MoKα","","0.0345","0.0284","","","0.0621","0.0647","","","","","","1.03","","","","has coordinates","194315","2020-10-21","18:00:00",""
"1545585","7.5629","0.0019","8.205","0.002","20.587","0.005","90","","91.147","0.005","90","","1277.2","0.5","293","2","293","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","Methyl 4-methyl-2-oxo-3,4-dihydrodibenzo[<i>b</i>,<i>d</i>]furan-4a(2<i>H</i>)-carboxylate","","- C15 H14 O4 -","- C15 H14 O4 -","- C60 H56 O16 -","4","1","PK4014","Jiang, Yidong; Wang, Yifeng","Methyl 4-methyl-2-oxo-3,4-dihydrodibenzo[<i>b</i>,<i>d</i>]furan-4a(2<i>H</i>)-carboxylate","IUCrData","2017","2","3","x170395","","10.1107/S2414314617003959","","","0.71073","MoKα","","0.0534","0.0434","","","0.1089","0.1158","","","","","","1.036","","","","has coordinates,has Fobs","194324","2020-10-21","18:00:00",""
"1545586","22.8029","0.0015","9.9908","0.0007","9.3304","0.0006","90","","90.247","0.002","90","","2125.6","0.2","295","2","295","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","4,6-Di-<i>tert</i>-butyl-2-{(<i>E</i>)-[4-(dimethylamino)phenylimino]methyl}phenol","","- C23 H32 N2 O -","- C23 H32 N2 O -","- C92 H128 N8 O4 -","4","1","VM4021","Rani, C. Vidya; Mitu, L.; Chakkaravarthi, G.; Rajagopal, G.","4,6-Di-<i>tert</i>-butyl-2-{(<i>E</i>)-[4-(dimethylamino)phenylimino]methyl}phenol","IUCrData","2017","2","3","x170396","","10.1107/S2414314617003960","","","0.71073","MoKα","","0.1077","0.0696","","","0.1808","0.2145","","","","","","1.032","","","","has coordinates,has disorder,has Fobs","194325","2020-10-21","18:00:00",""
"1545587","9.8504","0.0004","8.5234","0.0004","10.312","0.0004","90","","109.673","0.001","90","","815.25","0.06","200","2","200","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","2-[2,2,4,4-Tetramethyl-3-(pyridin-2-yl)-1,3,2,4-diazadisiletidin-1-yl]pyridine","","- C14 H20 N4 Si2 -","- C14 H20 N4 Si2 -","- C28 H40 N8 Si4 -","2","0.5","SJ4098","Li, Rui; Duan, Xin-E; Cao, Wei; Wei, Xue-Hong","A pyridyl-substituted cyclodisilazane [(Apy)~2~(μ-SiMe)~2~] (ApyH~2~ = 2-aminopyridine)","IUCrData","2017","2","3","x170400","","10.1107/S241431461700400X","","","0.71073","MoKα","","0.035","0.0321","","","0.0867","0.0893","","","","","","0.99","","","","has coordinates,has Fobs","194326","2020-10-21","18:00:00",""
"1545588","7.1933","0.0009","8.0044","0.001","9.0183","0.0012","81.181","0.006","89.31","0.006","87.721","0.005","512.7","0.11","279","","279","","","","","","","","","4","P -1","-P 1","2","","","","- C26 H12 N4 S2 -","- C26 H12 N4 S2 -","- C26 H12 N4 S2 -","1","0.5","","Sato, Ryonosuke; Dogishi, Masaki; Higashino, Toshiki; Kadoya, Tomofumi; Kawamoto, Tadashi; Mori, Takehiko","Charge-Transfer Complexes of Benzothienobenzothiophene with Tetracyanoquinodimethane and the n-Channel Organic Field-Effect Transistors","The Journal of Physical Chemistry C","2017","","","","","10.1021/acs.jpcc.7b00902","","","1.54187","CuKα","","","0.0966","","","","0.2708","","","","","","0.96","","","","has coordinates","194333","2020-10-21","18:00:00",""
"1545589","7.1608","0.0007","7.9489","0.0012","9.1084","0.0012","80.928","0.011","89.567","0.011","87.878","0.012","511.62","0.12","298","","298","","","","","","","","","5","P -1","-P 1","2","","","","- C26 H10 F2 N4 S2 -","- C26 H10 F2 N4 S2 -","- C26 H10 F2 N4 S2 -","1","0.5","","Sato, Ryonosuke; Dogishi, Masaki; Higashino, Toshiki; Kadoya, Tomofumi; Kawamoto, Tadashi; Mori, Takehiko","Charge-Transfer Complexes of Benzothienobenzothiophene with Tetracyanoquinodimethane and the n-Channel Organic Field-Effect Transistors","The Journal of Physical Chemistry C","2017","","","","","10.1021/acs.jpcc.7b00902","","","0.71069","MoKα","","","0.0534","","","","0.1467","","","","","","0.969","","","","has coordinates","194333","2020-10-21","18:00:00",""
"1545590","7.1911","0.0013","8.039","0.003","9.156","0.003","80.96","0.03","89.226","0.019","88.727","0.019","522.6","0.3","295","","295","","","","","","","","","5","P -1","-P 1","2","","","","- C26 H10 F2 N4 Se2 -","- C26 H10 F2 N4 Se2 -","- C26 H10 F2 N4 Se2 -","1","0.5","","Sato, Ryonosuke; Dogishi, Masaki; Higashino, Toshiki; Kadoya, Tomofumi; Kawamoto, Tadashi; Mori, Takehiko","Charge-Transfer Complexes of Benzothienobenzothiophene with Tetracyanoquinodimethane and the n-Channel Organic Field-Effect Transistors","The Journal of Physical Chemistry C","2017","","","","","10.1021/acs.jpcc.7b00902","","","0.71069","MoKα","","","0.0555","","","","0.1417","","","","","","0.965","","","","has coordinates","194333","2020-10-21","18:00:00",""
"1545591","7.9628","0.0014","7.062","0.004","19.111","0.004","90","","99.328","0.014","90","","1060.5","0.7","298","","298","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C26 H8 F4 N4 S2 -","- C26 H8 F4 N4 S2 -","- C52 H16 F8 N8 S4 -","2","0.5","","Sato, Ryonosuke; Dogishi, Masaki; Higashino, Toshiki; Kadoya, Tomofumi; Kawamoto, Tadashi; Mori, Takehiko","Charge-Transfer Complexes of Benzothienobenzothiophene with Tetracyanoquinodimethane and the n-Channel Organic Field-Effect Transistors","The Journal of Physical Chemistry C","2017","","","","","10.1021/acs.jpcc.7b00902","","","0.71069","MoKα","","","0.0505","","","","0.1443","","","","","","0.991","","","","has coordinates","194333","2020-10-21","18:00:00",""
"1545592","12.2554","0.0007","15.2305","0.0009","13.7518","0.0009","90","","109.929","0.008","90","","2413.1","0.3","150","","150","","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C26 H26 N2 O5 S -","- C26 H26 N2 O5 S -","- C104 H104 N8 O20 S4 -","4","2","","Kondoh, Azusa; Kamata, Yuji; Terada, Masahiro","Synthesis of Enantioenriched γ-Amino-α,β-unsaturated Esters Utilizing Palladium-Catalyzed Rearrangement of Allylic Carbamates for Direct Application to Formal [3 + 2] Cycloaddition","Organic Letters","2017","","","","","10.1021/acs.orglett.7b00471","","","0.71075","MoKα","","0.0513","0.0427","","","0.0971","0.1009","","","","","","1.036","","","","has coordinates","194334","2020-10-21","18:00:00",""
"1545593","8.0483","0.0008","7.2282","0.0003","24.2472","0.0018","90","","93.708","0.008","90","","1407.62","0.18","100","","100","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C11 H12 In N O7 -","- C11 H10 In N O7 -","- C44 H40 In4 N4 O28 -","4","1","","Haddad, Jibreel; Whitehead, George F. S.; Katsoulidis, Alexandros; Rosseinsky, Matthew J.","In-MOFs based on amide functionalised flexible linkers","Faraday Discuss.","2017","","","","","10.1039/C7FD00085E","","x-ray","0.71073","MoKα","","0.1138","0.0867","","","0.1869","0.1993","","","","","","1.089","","","","has coordinates,has disorder","204141","2020-10-21","18:00:00",""
"1545594","7.2372","0.0004","10.1596","0.0008","11.8645","0.0008","77.815","0.007","78.748","0.005","85.773","0.005","835.84","0.1","100","","100","","","","","","","","","5","P -1","-P 1","2","","","","- C12 H11 In N2 O7 -","- C12 H11 In N2 O7 -","- C24 H22 In2 N4 O14 -","2","1","","Haddad, Jibreel; Whitehead, George F. S.; Katsoulidis, Alexandros; Rosseinsky, Matthew J.","In-MOFs based on amide functionalised flexible linkers","Faraday Discuss.","2017","","","","","10.1039/C7FD00085E","","x-ray","0.71073","MoKα","","0.1162","0.0678","","","0.1567","0.1809","","","","","","0.984","","","","has coordinates","194345","2020-10-21","18:00:00",""
"1545595","10.8957","0.0014","13.0496","0.0016","13.9607","0.0017","101.403","0.002","109.481","0.002","104.921","0.002","1718.4","0.4","150","2","149.75","","","","","","","","","4","P -1","-P 1","2","","","","- C39 H51 O3 P -","- C39 H50.988 O3 P -","- C78 H101.976 O6 P2 -","2","1","","Bura, Thomas; Beaupré, Serge; Légaré, Marc-André; Quinn, Jesse; Rochette, Etienne; Blaskovits, J. Terence; Fontaine, Frédéric-Georges; Pron, Agnieszka; Li, Yuning; Leclerc, Mario","Direct heteroarylation polymerization: guidelines for defect-free conjugated polymers","Chem. Sci.","2017","8","5","3913","","10.1039/C7SC00589J","","","0.71073","MoKα","","0.0761","0.0542","","","0.1362","0.1506","","","","","","1.052","","","","has coordinates,has disorder","196329","2020-10-21","18:00:00",""
"1545596","10.2109","0.0013","18.659","0.002","35.308","0.004","90","","94.153","0.002","90","","6709.4","1.4","150","2","149.55","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C39 H51 O3 P -","- C38.9645 H50.855 O3 P -","- C311.716 H406.84 O24 P8 -","8","2","","Bura, Thomas; Beaupré, Serge; Légaré, Marc-André; Quinn, Jesse; Rochette, Etienne; Blaskovits, J. Terence; Fontaine, Frédéric-Georges; Pron, Agnieszka; Li, Yuning; Leclerc, Mario","Direct heteroarylation polymerization: guidelines for defect-free conjugated polymers","Chem. Sci.","2017","8","5","3913","","10.1039/C7SC00589J","","","0.71073","MoKα","","0.0787","0.0578","","","0.1415","0.1548","","","","","","1.022","","","","has coordinates,has disorder","217275","2020-10-21","18:00:00",""
"1545597","8.0539","0.0004","10.665","0.0006","11.0535","0.0007","105.576","0.005","101.89","0.005","93.681","0.004","887.72","0.09","120","0.1","120","0.1","","","","","","","","7","P -1","-P 1","2","","","","- C30 H32 Br6 Fe N6 O4 Re -","- C30 H32 Br6 Fe N6 O4 Re -","- C30 H32 Br6 Fe N6 O4 Re -","1","0.5","","Pedersen, Anders H.; Geoghegan, Blaise L.; Nichol, Gary S.; Lupton, David W.; Murray, Keith S.; Martínez-Lillo, José; Gass, Ian A.; Brechin, Euan K.","Hexahalorhenate(iv) salts of metal oxazolidine nitroxides.","Dalton transactions (Cambridge, England : 2003)","2017","46","16","5250","5259","10.1039/c7dt00752c","","x-ray","0.71073","MoKα","","0.0666","0.0493","","","0.0815","0.0875","","","","","","1.069","","","","has coordinates","196416","2020-10-21","18:00:00",""
"1545598","13.5159","0.0006","11.114","0.0004","15.7455","0.0008","90","","110.854","0.005","90","","2210.28","0.18","149.94","0.13","149.94","0.13","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C38 H44 Cl6 Co N10 O4 Re -","- C38 H44 Cl6 Co N10 O4 Re -","- C76 H88 Cl12 Co2 N20 O8 Re2 -","2","0.5","","Pedersen, Anders H.; Geoghegan, Blaise L.; Nichol, Gary S.; Lupton, David W.; Murray, Keith S.; Martínez-Lillo, José; Gass, Ian A.; Brechin, Euan K.","Hexahalorhenate(iv) salts of metal oxazolidine nitroxides.","Dalton transactions (Cambridge, England : 2003)","2017","46","16","5250","5259","10.1039/c7dt00752c","","x-ray","0.71073","MoKα","","0.0931","0.0704","","","0.125","0.1311","","","","","","1.292","","","","has coordinates","196416","2020-10-21","18:00:00",""
"1545599","8.1009","0.0003","10.7229","0.0003","10.9708","0.0003","106.156","0.003","101.328","0.003","93.673","0.003","890.35","0.05","120.01","0.1","120.01","0.1","","","","","","","","7","P -1","-P 1","2","","","","- C30 H32 Br6 Co N6 O4 Re -","- C30 H32 Br6 Co N6 O4 Re -","- C30 H32 Br6 Co N6 O4 Re -","1","0.5","","Pedersen, Anders H.; Geoghegan, Blaise L.; Nichol, Gary S.; Lupton, David W.; Murray, Keith S.; Martínez-Lillo, José; Gass, Ian A.; Brechin, Euan K.","Hexahalorhenate(iv) salts of metal oxazolidine nitroxides.","Dalton transactions (Cambridge, England : 2003)","2017","46","16","5250","5259","10.1039/c7dt00752c","","x-ray","1.54184","CuKα","","0.0445","0.0423","","","0.1073","0.1101","","","","","","1.052","","","","has coordinates","196416","2020-10-21","18:00:00",""
"1545600","13.4707","0.0005","11.3978","0.0003","15.6234","0.0006","90","","110.044","0.004","90","","2253.47","0.15","250","0.1","250","0.1","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C38 H44 Cl6 Co N10 O4 Re -","- C38 H44 Cl6 Co N10 O4 Re -","- C76 H88 Cl12 Co2 N20 O8 Re2 -","2","0.5","","Pedersen, Anders H.; Geoghegan, Blaise L.; Nichol, Gary S.; Lupton, David W.; Murray, Keith S.; Martínez-Lillo, José; Gass, Ian A.; Brechin, Euan K.","Hexahalorhenate(iv) salts of metal oxazolidine nitroxides.","Dalton transactions (Cambridge, England : 2003)","2017","46","16","5250","5259","10.1039/c7dt00752c","","x-ray","0.71073","MoKα","","0.0742","0.0482","","","0.1044","0.1131","","","","","","1.115","","","","has coordinates","196416","2020-10-21","18:00:00",""
"1545601","16.0287","0.0005","18.8615","0.0004","22.0793","0.0005","90","","90","","90","","6675.1","0.3","120","","120","","","","","","","","","7","P b c a","-P 2ac 2ab","61","","","","- C23 H28 Cl6 N7 Ni O2 Re -","- C23 H28 Cl6 N7 Ni O2 Re -","- C184 H224 Cl48 N56 Ni8 O16 Re8 -","8","1","","Pedersen, Anders H.; Geoghegan, Blaise L.; Nichol, Gary S.; Lupton, David W.; Murray, Keith S.; Martínez-Lillo, José; Gass, Ian A.; Brechin, Euan K.","Hexahalorhenate(iv) salts of metal oxazolidine nitroxides.","Dalton transactions (Cambridge, England : 2003)","2017","46","16","5250","5259","10.1039/c7dt00752c","","x-ray","0.71073","MoKα","","0.0667","0.0504","","","0.072","0.0764","","","","","","1.208","","","","has coordinates","196416","2020-10-21","18:00:00",""
"1545602","13.5101","0.0006","11.2475","0.0004","15.7037","0.0007","90","","110.536","0.005","90","","2234.61","0.18","199.94","0.13","199.94","0.13","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C38 H44 Cl6 Co N10 O4 Re -","- C38 H44 Cl6 Co N10 O4 Re -","- C76 H88 Cl12 Co2 N20 O8 Re2 -","2","0.5","","Pedersen, Anders H.; Geoghegan, Blaise L.; Nichol, Gary S.; Lupton, David W.; Murray, Keith S.; Martínez-Lillo, José; Gass, Ian A.; Brechin, Euan K.","Hexahalorhenate(iv) salts of metal oxazolidine nitroxides.","Dalton transactions (Cambridge, England : 2003)","2017","46","16","5250","5259","10.1039/c7dt00752c","","x-ray","0.71073","MoKα","","0.0985","0.0712","","","0.1217","0.129","","","","","","1.278","","","","has coordinates,has disorder","196416","2020-10-21","18:00:00",""
"1545603","7.9831","0.0003","10.5052","0.0005","10.789","0.0004","106.255","0.004","103.909","0.003","92.852","0.003","836.49","0.06","120.01","0.1","120.01","0.1","","","","","","","","7","P -1","-P 1","2","","","","- C30 H32 Cl6 Fe N6 O4 Re -","- C30 H32 Cl6 Fe N6 O4 Re -","- C30 H32 Cl6 Fe N6 O4 Re -","1","0.5","","Pedersen, Anders H.; Geoghegan, Blaise L.; Nichol, Gary S.; Lupton, David W.; Murray, Keith S.; Martínez-Lillo, José; Gass, Ian A.; Brechin, Euan K.","Hexahalorhenate(iv) salts of metal oxazolidine nitroxides.","Dalton transactions (Cambridge, England : 2003)","2017","46","16","5250","5259","10.1039/c7dt00752c","","x-ray","0.71073","MoKα","","0.0378","0.0335","","","0.056","0.0575","","","","","","1.045","","","","has coordinates,has disorder","196416","2020-10-21","18:00:00",""
"1545604","11.3999","0.0004","23.9868","0.0008","14.3655","0.0006","90","","91.166","0.003","90","","3927.4","0.3","120.01","0.1","120.01","0.1","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C27 H34 Br6 N9 Ni O2 Re -","- C27 H34 Br6 N9 Ni O2 Re -","- C108 H136 Br24 N36 Ni4 O8 Re4 -","4","1","","Pedersen, Anders H.; Geoghegan, Blaise L.; Nichol, Gary S.; Lupton, David W.; Murray, Keith S.; Martínez-Lillo, José; Gass, Ian A.; Brechin, Euan K.","Hexahalorhenate(iv) salts of metal oxazolidine nitroxides.","Dalton transactions (Cambridge, England : 2003)","2017","46","16","5250","5259","10.1039/c7dt00752c","","x-ray","0.71073","MoKα","","0.0795","0.0407","","","0.0739","0.0783","","","","","","0.922","","","","has coordinates","196416","2020-10-21","18:00:00",""
"1545605","8.09457","0.00016","10.9775","0.0002","11.5719","0.0003","80.2539","0.0019","78.1007","0.0019","88.8645","0.0016","991.52","0.04","120.01","0.1","120.01","0.1","","","","","","","","7","P -1","-P 1","2","","","","- C34 H38 Cl6 Co N8 O4 Re -","- C34 H38 Cl6 Co N8 O4 Re -","- C34 H38 Cl6 Co N8 O4 Re -","1","0.5","","Pedersen, Anders H.; Geoghegan, Blaise L.; Nichol, Gary S.; Lupton, David W.; Murray, Keith S.; Martínez-Lillo, José; Gass, Ian A.; Brechin, Euan K.","Hexahalorhenate(iv) salts of metal oxazolidine nitroxides.","Dalton transactions (Cambridge, England : 2003)","2017","46","16","5250","5259","10.1039/c7dt00752c","","x-ray","0.71073","MoKα","","0.0231","0.0222","","","0.0453","0.0458","","","","","","1.032","","","","has coordinates,has disorder","196416","2020-10-21","18:00:00",""
"1545606","8.07321","0.0002","10.811","0.0004","11.0629","0.0004","107.144","0.003","100.37","0.002","93.917","0.002","899.99","0.05","120","0.1","120","0.1","","","","","","","","7","P -1","-P 1","2","","","","- C30 H32 Br6 Cu N6 O4 Re -","- C30 H32 Br6 Cu N6 O4 Re -","- C30 H32 Br6 Cu N6 O4 Re -","1","0.5","","Pedersen, Anders H.; Geoghegan, Blaise L.; Nichol, Gary S.; Lupton, David W.; Murray, Keith S.; Martínez-Lillo, José; Gass, Ian A.; Brechin, Euan K.","Hexahalorhenate(iv) salts of metal oxazolidine nitroxides.","Dalton transactions (Cambridge, England : 2003)","2017","46","16","5250","5259","10.1039/c7dt00752c","","x-ray","0.71073","MoKα","","0.0681","0.0537","","","0.1277","0.1379","","","","","","1.025","","","","has coordinates","196416","2020-10-21","18:00:00",""
"1545607","8.0389","0.0002","10.6038","0.0003","10.824","0.0003","107.565","0.003","102.333","0.002","93.278","0.002","851.99","0.04","119.93","0.17","119.93","0.17","","","","","","","","7","P -1","-P 1","2","","","","- C30 H32 Cl6 Cu N6 O4 Re -","- C30 H32 Cl6 Cu N6 O4 Re -","- C30 H32 Cl6 Cu N6 O4 Re -","1","0.5","","Pedersen, Anders H.; Geoghegan, Blaise L.; Nichol, Gary S.; Lupton, David W.; Murray, Keith S.; Martínez-Lillo, José; Gass, Ian A.; Brechin, Euan K.","Hexahalorhenate(iv) salts of metal oxazolidine nitroxides.","Dalton transactions (Cambridge, England : 2003)","2017","46","16","5250","5259","10.1039/c7dt00752c","","x-ray","1.54184","CuKα","","0.0197","0.0195","","","0.0499","0.05","","","","","","1.04","","","","has coordinates,has disorder","196416","2020-10-21","18:00:00",""
"1545608","22.6491","0.0003","22.6491","0.0003","71.0014","0.0013","90","","90","","120","","31542.7","0.8","173","2","173","2","","","","","","","","7","R -3 c","-R 3 2""c","167","","","","- C124 H270 Ag41 Cr2 N7 O17 S30 -","- C124 H270 Ag41 Cr2 N7 O17 S30 -","- C744 H1620 Ag246 Cr12 N42 O102 S180 -","6","","","Li, Xiao-Yu; Su, Hai-Feng; Kurmoo, Mohamedally; Tung, Chen-Ho; Sun, Di; Zheng, Lan-Sun","Structure, solution assembly, and electroconductivity of nanosized argento-organic-cluster/framework templated by chromate.","Nanoscale","2017","9","16","5305","5314","10.1039/c7nr00732a","","","0.71","MoKα","","0.0663","0.0595","","","0.1638","0.172","","","","","","1.024","","","","has coordinates","196475","2020-10-21","18:00:00",""
"1545609","17.5994","0.0005","17.5994","0.0005","29.2422","0.0009","90","","90","","120","","7844","0.4","173","2","173","2","","","","","","","","8","P 62","P 62","171","","","","- C50 H98 Ag20 Cr5 F12 N4 O30 S10 -","- C50 H98 Ag20 Cr5 F12 N4 O30 S10 -","- C150 H294 Ag60 Cr15 F36 N12 O90 S30 -","3","0.5","","Li, Xiao-Yu; Su, Hai-Feng; Kurmoo, Mohamedally; Tung, Chen-Ho; Sun, Di; Zheng, Lan-Sun","Structure, solution assembly, and electroconductivity of nanosized argento-organic-cluster/framework templated by chromate.","Nanoscale","2017","9","16","5305","5314","10.1039/c7nr00732a","","","0.71073","MoKα","","0.0635","0.043","","","0.0621","0.0689","","","","","","1.102","","","","has coordinates","196475","2020-10-21","18:00:00",""
"1545610","47.992","0.003","50.873","0.003","64.857","0.004","90","","90","","90","","158348","17","100","2","100.15","","","","","","","","","8","F d d d","-F 2uv 2vw","70","","","","- C288 H340 Ag47 Cr4 F54 N4 O56 S24 -","- C288 H340 Ag47 Cr4 F54 N4 O56 S24 -","- C4608 H5440 Ag752 Cr64 F864 N64 O896 S384 -","16","","","Li, Xiao-Yu; Su, Hai-Feng; Kurmoo, Mohamedally; Tung, Chen-Ho; Sun, Di; Zheng, Lan-Sun","Structure, solution assembly, and electroconductivity of nanosized argento-organic-cluster/framework templated by chromate.","Nanoscale","2017","9","16","5305","5314","10.1039/c7nr00732a","","","0.71073","MoKα","","0.2393","0.127","","","0.2998","0.4121","","","","","","1.084","","","","has coordinates","196475","2020-10-21","18:00:00",""
"1545611","32.963","0.0004","28.784","0.0004","21.7978","0.0003","90","","96.6012","0.0012","90","","20544.8","0.5","173","2","173.15","","","","","","","","","7","C 1 2/c 1","-C 2yc","15","","","","- C114 H240 Ag40 Cr5 F9 O26 S27 -","- C114 H240 Ag40 Cr5 F9 O26 S27 -","- C456 H960 Ag160 Cr20 F36 O104 S108 -","4","0.5","","Li, Xiao-Yu; Su, Hai-Feng; Kurmoo, Mohamedally; Tung, Chen-Ho; Sun, Di; Zheng, Lan-Sun","Structure, solution assembly, and electroconductivity of nanosized argento-organic-cluster/framework templated by chromate.","Nanoscale","2017","9","16","5305","5314","10.1039/c7nr00732a","","","1.54184","CuKα","","0.1091","0.0717","","","0.1899","0.2231","","","","","","1.023","","","","has coordinates,has disorder","196475","2020-10-21","18:00:00",""
"1545612","17.603","0.0003","17.603","0.0003","29.2412","0.0005","90","","90","","120","","7846.9","0.2","173","2","173","2","","","","","","","","8","P 64","P 64","172","","","","- C50 H98 Ag20 Cr5 F12 N4 O30 S10 -","- C50 H98 Ag20 Cr5 F12 N4 O30 S10 -","- C150 H294 Ag60 Cr15 F36 N12 O90 S30 -","3","0.5","","Li, Xiao-Yu; Su, Hai-Feng; Kurmoo, Mohamedally; Tung, Chen-Ho; Sun, Di; Zheng, Lan-Sun","Structure, solution assembly, and electroconductivity of nanosized argento-organic-cluster/framework templated by chromate.","Nanoscale","2017","9","16","5305","5314","10.1039/c7nr00732a","","","0.71073","MoKα","","0.0316","0.026","","","0.0404","0.0417","","","","","","1.025","","","","has coordinates","196475","2020-10-21","18:00:00",""
"1545613","9.1117","0.0018","11.229","0.002","12.539","0.003","95.86","0.03","103.5","0.03","102.41","0.03","1202.6","0.5","298","2","298","2","","","","","","","","5","P -1","-P 1","2","","","","- C29 H26 N P Pt -","- C29 H26 N P Pt -","- C58 H52 N2 P2 Pt2 -","2","1","","Shahsavari, Hamid R.; Babadi Aghakhanpour, Reza; Babaghasabha, Mojgan; Golbon Haghighi, Mohsen; Nabavizadeh, S. Masoud; Notash, Behrouz","Photophysical properties of a series of cycloplatinated( <scp>ii</scp> ) complexes featuring allyldiphenylphosphane","New Journal of Chemistry","2017","41","10","3798","3810","10.1039/C7NJ00055C","","","0.71073","MoKα","","0.0546","0.0424","","","0.0952","0.0982","","","","","","0.952","","","","has coordinates","282777","2023-04-20","11:56:45",""
"1545614","9.759","0.002","10.351","0.002","23.222","0.005","90","","100.86","0.03","90","","2303.8","0.8","298","2","298","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C27 H26 N P Pt -","- C27 H26 N P Pt -","- C108 H104 N4 P4 Pt4 -","4","1","","Shahsavari, Hamid R.; Babadi Aghakhanpour, Reza; Babaghasabha, Mojgan; Golbon Haghighi, Mohsen; Nabavizadeh, S. Masoud; Notash, Behrouz","Photophysical properties of a series of cycloplatinated( <scp>ii</scp> ) complexes featuring allyldiphenylphosphane","New Journal of Chemistry","2017","41","10","3798","3810","10.1039/C7NJ00055C","","","0.71073","MoKα","","0.0777","0.0458","","","0.0987","0.1159","","","","","","0.926","","","","has coordinates","282777","2023-04-20","11:56:45",""
"1545615","9.6029","0.0019","13.097","0.003","19.63","0.004","90","","100.17","0.03","90","","2430.1","0.9","298","2","298","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C30 H26 N P Pt -","- C30 H26 N P Pt -","- C120 H104 N4 P4 Pt4 -","4","1","","Shahsavari, Hamid R.; Babadi Aghakhanpour, Reza; Babaghasabha, Mojgan; Golbon Haghighi, Mohsen; Nabavizadeh, S. Masoud; Notash, Behrouz","Photophysical properties of a series of cycloplatinated( <scp>ii</scp> ) complexes featuring allyldiphenylphosphane","New Journal of Chemistry","2017","41","10","3798","3810","10.1039/C7NJ00055C","","","0.71073","MoKα","","0.073","0.0397","","","0.0828","0.0952","","","","","","0.869","","","","has coordinates","282777","2023-04-20","11:56:45",""
"1545616","7.615","0.006","9.703","0.007","52","0.03","90","","90","","90","","3842","5","296","2","296","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C42 H44 Fe2 N4 O2 S2 -","- C42 H44 Fe2 N4 O2 S2 -","- C168 H176 Fe8 N16 O8 S8 -","4","1","","Duan, Xin-E; Li, Rui; Tong, Hong-Bo; Li, Ying-Qi; Bai, Sheng-Di; Guo, Yu-Jing; Liu, Dian-Sheng","Synthesis and structural characterization of electrochemically reversible bisferrocenes containing bis(acyl-thiourea)s: enantiomers and conformers","New J. Chem.","2017","41","9","3333","","10.1039/C6NJ03539F","","","0.71073","MoKα","","0.0632","0.058","","","0.1338","0.137","","","","","","1.115","","","","has coordinates","196499","2020-10-21","18:00:00",""
"1545617","9.707","0.002","14.545","0.003","20.921","0.004","90","","90","","90","","2953.8","1","296","2","296","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C30 H32 Fe2 N4 O2 S2 -","- C30 H32 Fe2 N4 O2 S2 -","- C120 H128 Fe8 N16 O8 S8 -","4","1","","Duan, Xin-E; Li, Rui; Tong, Hong-Bo; Li, Ying-Qi; Bai, Sheng-Di; Guo, Yu-Jing; Liu, Dian-Sheng","Synthesis and structural characterization of electrochemically reversible bisferrocenes containing bis(acyl-thiourea)s: enantiomers and conformers","New J. Chem.","2017","41","9","3333","","10.1039/C6NJ03539F","","","0.71073","MoKα","","0.0333","0.0263","","","0.0537","0.0563","","","","","","1.02","","","","has coordinates","196499","2020-10-21","18:00:00",""
"1545618","9.7134","0.0008","14.5357","0.0012","20.8935","0.0017","90","","90","","90","","2950","0.4","296","2","296","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C30 H32 Fe2 N4 O2 S2 -","- C30 H32 Fe2 N4 O2 S2 -","- C120 H128 Fe8 N16 O8 S8 -","4","1","","Duan, Xin-E; Li, Rui; Tong, Hong-Bo; Li, Ying-Qi; Bai, Sheng-Di; Guo, Yu-Jing; Liu, Dian-Sheng","Synthesis and structural characterization of electrochemically reversible bisferrocenes containing bis(acyl-thiourea)s: enantiomers and conformers","New J. Chem.","2017","41","9","3333","","10.1039/C6NJ03539F","","","0.71073","MoKα","","0.0487","0.0331","","","0.0592","0.0647","","","","","","1.024","","","","has coordinates","196499","2020-10-21","18:00:00",""
"1545619","19.3","0.008","14.581","0.007","24.167","0.01","90","","94.227","0.01","90","","6782","5","273","","273","","","","","","","","","6","P 1 2/n 1","-P 2yac","13","","","","- C112 H72 Br8 N16 Ni3 O16 -","- C112 H72 Br8 N16 Ni3 O16 -","- C224 H144 Br16 N32 Ni6 O32 -","2","0.5","","He, Xiaohui; Deng, Yingjiao; Jiang, Xiong; Wang, Zijie; Yang, Yingping; Han, Zhilong; Chen, Defu","Copolymerization of norbornene and butyl methacrylate at elevated temperatures by a single centre nickel catalyst bearing bulky bis(α-diimine) ligand with strong electron-withdrawing groups","Polym. Chem.","2017","8","15","2390","","10.1039/C7PY00081B","","","0.71073","MoKα","","0.1363","0.0876","","","0.2213","0.2518","","","","","","1.03","","","","has coordinates,has disorder","196526","2020-10-21","18:00:00",""
"1545620","7.1675","0.0004","8.8143","0.0006","10.6613","0.0007","91.968","0.004","96.362","0.003","94.745","0.003","666.46","0.07","295","2","295","2","","","","","","","","4","P -1","-P 1","2","","2-Amino-3-methylpyridinium 2-carboxybenzoate","","- C14 H14 N2 O4 -","- C14 H14 N2 O4 -","- C28 H28 N4 O8 -","2","1","BT4045","Sivakumar, P.; Anzline, C.; Sudhahar, S.; Israel, S.; Chakkaravarthi, G.","2-Amino-3-methylpyridinium hydrogen phthalate","IUCrData","2017","2","3","x170422","","10.1107/S2414314617004229","","","0.71073","MoKα","","0.1254","0.0594","","","0.142","0.1891","","","","","","1.021","","","","has coordinates,has Fobs","194414","2020-10-21","18:00:00",""
"1545621","7.3834","0.0002","11.7331","0.0003","16.9144","0.0004","90","","101.731","0.001","90","","1434.69","0.06","298","2","298","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","1-{[3-(Thiophen-2-yl)-4,5-dihydro-1,2-oxazol-5-yl]methyl}-2,3-dihydro-1<i>H</i>-indole-2,3-dione","","- C16 H12 N2 O3 S -","- C16 H12 N2 O3 S -","- C64 H48 N8 O12 S4 -","4","1","SU4133","Rayni, Ibtissam; El Bakri, Youness; Sebhaoui, Jihad; El Bourakadi, Khadija; Essassi, El Mokhtar; Mague, Joel T.","1-{[3-(Thiophen-2-yl)-4,5-dihydro-1,2-oxazol-5-yl]methyl}-2,3-dihydro-1<i>H</i>-indole-2,3-dione","IUCrData","2017","2","3","x170315","","10.1107/S2414314617003157","","","1.54178","CuKα","","0.0634","0.0567","","","0.1596","0.1662","","","","","","1.055","","","","has coordinates,has Fobs","194415","2020-10-21","18:00:00",""
"1545622","6.5995","0.0003","13.4865","0.0004","18.2435","0.0007","90","","90","","90","","1623.75","0.11","296","2","296","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","(1<i>S</i>,3<i>R</i>,8<i>R</i>)-2,2-Dichloro-3,7,7,10-tetramethyl-11-methylenetricyclo[6.4.0.0^1,3^]dodec-9-ene","","- C17 H24 Cl2 -","- C17 H24 Cl2 -","- C68 H96 Cl8 -","4","1","","Benharref, Ahmed; El Ammari, Lahcen; Saadi, Mohamed; Mazoir, Noureddine; Berraho, Moha","(1<i>S</i>,3<i>R</i>,8<i>R</i>)-2,2-Dichloro-3,7,7,10-tetramethyl-11-methylenetricyclo[6.4.0.0^1,3^]dodec-9-ene","IUCrData","2017","2","3","x170421","","10.1107/S2414314617004217","","","0.71073","MoKα","","0.074","0.0435","","","0.0891","0.1017","","","","","","1.019","","","","has coordinates,has Fobs","194416","2020-10-21","18:00:00",""
"1545623","9.4083","0.0003","9.514","0.0003","12.7168","0.0004","86.863","0.001","79.175","0.001","71.222","0.001","1058.5","0.06","150","2","150","2","","","","","","","","6","P -1","-P 1","2","","7-Acetyl-8-(4-chlorophenyl)-3-ethylsulfanyl-6-hydroxy-1,6-dimethyl-5,6,7,8-tetrahydroisoquinoline-4-carbonitrile","","- C22 H23 Cl N2 O2 S -","- C22 H23 Cl N2 O2 S -","- C44 H46 Cl2 N4 O4 S2 -","2","1","SJ4096","Mague, Joel T.; Mohamed, Shaaban K.; Akkurt, Mehmet; Bakhite, Etify A.; Albayati, Mustafa R.","7-Acetyl-8-(4-chlorophenyl)-3-ethylsulfanyl-6-hydroxy-1,6-dimethyl-5,6,7,8-tetrahydroisoquinoline-4-carbonitrile","IUCrData","2017","2","3","x170390","","10.1107/S241431461700390X","","","1.54178","CuKα","","0.0384","0.0354","","","0.0928","0.0957","","","","","","1.033","","","","has coordinates,has Fobs","194417","2020-10-21","18:00:00",""
"1545630","8.366","0.0014","21.114","0.003","7.4894","0.0014","90","","111.841","0.009","90","","1228","0.4","296","2","296","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C17 H13 N O2 -","- C17 H13 N O2 -","- C68 H52 N4 O8 -","4","1","","Jeganmohan, Masilamani; Reddy, Mallu Chenna","Total Synthesis of Aristolactam Alkaloids via Synergistic C-H Bond Activation and Dehydro-Diels-Alder Reactions","Chem. Sci.","2017","","","","","10.1039/C7SC00161D","","","0.71073","MoKα","","0.1164","0.0581","","","0.1402","0.1742","","","","","","0.897","","","","has coordinates","194461","2020-10-21","18:00:00",""
"1545631","12.2308","0.0002","12.6838","0.0002","13.0436","0.0009","83.137","0.006","68.061","0.005","70.096","0.005","1764.77","0.15","163","2","163","2","","","","","","","","8","P -1","-P 1","2","","","","- C36 H28 F3 Fe I2 N4 O6 S -","- C36 H28 F3 Fe I2 N4 O6 S -","- C72 H56 F6 Fe2 I4 N8 O12 S2 -","2","1","","Phonsri, Wasinee; Harding, Phimphaka; Liu, Lujia; Telfer, Shane G.; Murray, Keith S.; Moubaraki, Boujemaa; Ross, Tamsyn M.; Jameson, Guy N. L.; Harding, David J.","Solvent modified spin crossover in an iron(iii) complex: phase changes and an exceptionally wide hysteresis","Chem. Sci.","2017","8","5","3949","","10.1039/C6SC05317C","","","1.54178","CuKα","","0.0974","0.08","","","0.2156","0.2652","","","","","","1.21","","","","has coordinates","196335","2020-10-21","18:00:00",""
"1545632","12.4864","0.0012","12.4925","0.0012","13.6444","0.0012","65.751","0.009","82.594","0.007","69.191","0.009","1813.6","0.3","270","2","270","2","","","","","","","","8","P -1","-P 1","2","","","","- C36 H28 F3 Fe I2 N4 O6 S -","- C36 H28 F3 Fe I2 N4 O6 S -","- C72 H56 F6 Fe2 I4 N8 O12 S2 -","2","1","","Phonsri, Wasinee; Harding, Phimphaka; Liu, Lujia; Telfer, Shane G.; Murray, Keith S.; Moubaraki, Boujemaa; Ross, Tamsyn M.; Jameson, Guy N. L.; Harding, David J.","Solvent modified spin crossover in an iron(iii) complex: phase changes and an exceptionally wide hysteresis","Chem. Sci.","2017","8","5","3949","","10.1039/C6SC05317C","","","0.71073","MoKα","","0.0701","0.048","","","0.1203","0.1397","","","","","","1","","","","has coordinates","196335","2020-10-21","18:00:00",""
"1545633","12.43","0.003","12.336","0.003","13.183","0.003","111.83","0.03","99.23","0.03","66.05","0.03","1714.8","0.9","100","2","100","2","","","","","","","","8","P -1","-P 1","2","","","","- C35 H26 F3 Fe I2 N4 O6 S -","- C35 H26 F3 Fe I2 N4 O6 S -","- C70 H52 F6 Fe2 I4 N8 O12 S2 -","2","1","","Phonsri, Wasinee; Harding, Phimphaka; Liu, Lujia; Telfer, Shane G.; Murray, Keith S.; Moubaraki, Boujemaa; Ross, Tamsyn M.; Jameson, Guy N. L.; Harding, David J.","Solvent modified spin crossover in an iron(iii) complex: phase changes and an exceptionally wide hysteresis","Chem. Sci.","2017","8","5","3949","","10.1039/C6SC05317C","","","0.71073","Synchrotron","","0.0884","0.0578","","","0.1453","0.1616","","","","","","1.041","","","","has coordinates","196335","2020-10-21","18:00:00",""
"1545634","12.4632","0.0003","12.6561","0.0003","13.365","0.0009","83.298","0.006","67.3","0.005","69.644","0.005","1823","0.16","293","2","293","2","","","","","","","","8","P -1","-P 1","2","","","","- C36 H28 F3 Fe I2 N4 O6 S -","- C36 H28 F3 Fe I2 N4 O6 S -","- C72 H56 F6 Fe2 I4 N8 O12 S2 -","2","1","","Phonsri, Wasinee; Harding, Phimphaka; Liu, Lujia; Telfer, Shane G.; Murray, Keith S.; Moubaraki, Boujemaa; Ross, Tamsyn M.; Jameson, Guy N. L.; Harding, David J.","Solvent modified spin crossover in an iron(iii) complex: phase changes and an exceptionally wide hysteresis","Chem. Sci.","2017","8","5","3949","","10.1039/C6SC05317C","","","1.54178","CuKα","","0.0965","0.0804","","","0.2206","0.2624","","","","","","1.152","","","","has coordinates","196335","2020-10-21","18:00:00",""
"1545635","12.0127","0.0013","12.6193","0.0013","13.2123","0.0014","110.546","0.004","92.31","0.004","111.271","0.002","1715.2","0.3","123","2","123","2","","","","","","","","8","P -1","-P 1","2","","","","- C35 H23 F3 Fe I2 N5 O5 S -","- C35 H23 F3 Fe I2 N5 O5 S -","- C70 H46 F6 Fe2 I4 N10 O10 S2 -","2","1","","Phonsri, Wasinee; Harding, Phimphaka; Liu, Lujia; Telfer, Shane G.; Murray, Keith S.; Moubaraki, Boujemaa; Ross, Tamsyn M.; Jameson, Guy N. L.; Harding, David J.","Solvent modified spin crossover in an iron(iii) complex: phase changes and an exceptionally wide hysteresis","Chem. Sci.","2017","8","5","3949","","10.1039/C6SC05317C","","","0.71073","MoKα","","0.0662","0.0539","","","0.1416","0.147","","","","","","1.097","","","","has coordinates","196335","2020-10-21","18:00:00",""
"1545636","11.476","0.0012","13.0698","0.0016","13.4649","0.0016","71.342","0.011","87.437","0.009","68.674","0.011","1776.5","0.4","170","0.1","170","0.1","","","","","","","","8","P -1","-P 1","2","","","","- C35 H26 F3 Fe I2 N4 O6 S -","- C35 H26 F3 Fe I2 N4 O6 S -","- C70 H52 F6 Fe2 I4 N8 O12 S2 -","2","1","","Phonsri, Wasinee; Harding, Phimphaka; Liu, Lujia; Telfer, Shane G.; Murray, Keith S.; Moubaraki, Boujemaa; Ross, Tamsyn M.; Jameson, Guy N. L.; Harding, David J.","Solvent modified spin crossover in an iron(iii) complex: phase changes and an exceptionally wide hysteresis","Chem. Sci.","2017","8","5","3949","","10.1039/C6SC05317C","","","0.7107","MoKα","","0.0664","0.0433","","","0.0924","0.1101","","","","","","1.041","","","","has coordinates","196335","2020-10-21","18:00:00",""
"1545637","11.5003","0.0002","13.1342","0.0003","13.5498","0.001","71.652","0.005","87.488","0.006","68.858","0.005","1806.23","0.17","213","2","213","2","","","","","","","","8","P -1","-P 1","2","","","","- C35 H26 F3 Fe I2 N4 O6 S -","- C35 H26 F3 Fe I2 N4 O6 S -","- C70 H52 F6 Fe2 I4 N8 O12 S2 -","2","1","","Phonsri, Wasinee; Harding, Phimphaka; Liu, Lujia; Telfer, Shane G.; Murray, Keith S.; Moubaraki, Boujemaa; Ross, Tamsyn M.; Jameson, Guy N. L.; Harding, David J.","Solvent modified spin crossover in an iron(iii) complex: phase changes and an exceptionally wide hysteresis","Chem. Sci.","2017","8","5","3949","","10.1039/C6SC05317C","","","1.54178","CuKα","","0.0957","0.0841","","","0.2191","0.2653","","","","","","1.208","","","","has coordinates","196335","2020-10-21","18:00:00",""
"1545638","11.5289","0.0009","13.1814","0.0011","13.6233","0.0012","71.947","0.005","87.644","0.006","68.871","0.005","1830.2","0.3","292","2","292","2","","","","","","","","8","P -1","-P 1","2","","","","- C35 H26 F3 Fe I2 N4 O6 S -","- C35 H26 F3 Fe I2 N4 O6 S -","- C70 H52 F6 Fe2 I4 N8 O12 S2 -","2","1","","Phonsri, Wasinee; Harding, Phimphaka; Liu, Lujia; Telfer, Shane G.; Murray, Keith S.; Moubaraki, Boujemaa; Ross, Tamsyn M.; Jameson, Guy N. L.; Harding, David J.","Solvent modified spin crossover in an iron(iii) complex: phase changes and an exceptionally wide hysteresis","Chem. Sci.","2017","8","5","3949","","10.1039/C6SC05317C","","","1.54178","CuKα","","0.1089","0.0809","","","0.1889","0.2282","","","","","","1.114","","","","has coordinates","196335","2020-10-21","18:00:00",""
"1545639","12.232","0.002","12.547","0.003","13.279","0.003","81.89","0.03","67.04","0.03","68.25","0.03","1742.9","0.8","100","2","100","2","","","","","","","","8","P -1","-P 1","2","","","","- C36 H28 F3 Fe I2 N4 O6 S -","- C36 H28 F3 Fe I2 N4 O6 S -","- C72 H56 F6 Fe2 I4 N8 O12 S2 -","2","1","","Phonsri, Wasinee; Harding, Phimphaka; Liu, Lujia; Telfer, Shane G.; Murray, Keith S.; Moubaraki, Boujemaa; Ross, Tamsyn M.; Jameson, Guy N. L.; Harding, David J.","Solvent modified spin crossover in an iron(iii) complex: phase changes and an exceptionally wide hysteresis","Chem. Sci.","2017","8","5","3949","","10.1039/C6SC05317C","","","0.71073","synchrotron","","0.0537","0.05","","","0.1238","0.1305","","","","","","1.063","","","","has coordinates","196335","2020-10-21","18:00:00",""
"1545640","10.3759","0.0004","12.8053","0.0005","13.8091","0.001","79.08","0.006","76.267","0.005","86.609","0.006","1749.85","0.17","137","2","137","2","","","","","","","","8","P -1","-P 1","2","","","","- C36 H26 F3 Fe I2 N4 O6 S -","- C36 H26 F3 Fe I2 N4 O6 S -","- C72 H52 F6 Fe2 I4 N8 O12 S2 -","2","1","","Phonsri, Wasinee; Harding, Phimphaka; Liu, Lujia; Telfer, Shane G.; Murray, Keith S.; Moubaraki, Boujemaa; Ross, Tamsyn M.; Jameson, Guy N. L.; Harding, David J.","Solvent modified spin crossover in an iron(iii) complex: phase changes and an exceptionally wide hysteresis","Chem. Sci.","2017","8","5","3949","","10.1039/C6SC05317C","","","1.54178","CuKα","","0.093","0.0829","","","0.2156","0.2451","","","","","","1.205","","","","has coordinates","196335","2020-10-21","18:00:00",""
"1545641","10.3585","0.0006","12.9759","0.0006","14.1074","0.0003","78.558","0.006","76.606","0.006","86.265","0.004","1807.59","0.15","293","2","293","2","","","","","","","","8","P -1","-P 1","2","","","","- C36 H26 F3 Fe I2 N4 O6 S -","- C36 H26 F3 Fe I2 N4 O6 S -","- C72 H52 F6 Fe2 I4 N8 O12 S2 -","2","1","","Phonsri, Wasinee; Harding, Phimphaka; Liu, Lujia; Telfer, Shane G.; Murray, Keith S.; Moubaraki, Boujemaa; Ross, Tamsyn M.; Jameson, Guy N. L.; Harding, David J.","Solvent modified spin crossover in an iron(iii) complex: phase changes and an exceptionally wide hysteresis","Chem. Sci.","2017","8","5","3949","","10.1039/C6SC05317C","","","1.54178","CuKα","","0.1158","0.092","","","0.2474","0.3028","","","","","","1.151","","","","has coordinates","196335","2020-10-21","18:00:00",""
"1545642","12.0803","0.0004","14.827","0.0005","13.7314","0.0005","90","","114.984","0.001","90","","2229.35","0.13","296","2","296","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C23 H30 N2 O5 -","- C23 H30 N2 O5 -","- C92 H120 N8 O20 -","4","1","","Liu, Shunying; Jiang, Jun; Chen, Jianghui; Wei, Qinghua; Yao, Wenfeng; Xia, Fei; Hu, Wenhao","A DFT Calculation-inspiring Rh(I)-catalyzed Reaction via Suppression of α-H Shift in α-Alkyldiazoacetates","Chem. Sci.","2017","","","","","10.1039/C7SC00257B","","","0.71073","MoKα","","0.0689","0.047","","","0.1285","0.1483","","","","","","1.038","","","","has coordinates","194463","2020-10-21","18:00:00",""
"1545647","12.6867","0.0006","21.7492","0.001","8.1393","0.0004","90","","90.772","0.001","90","","2245.64","0.18","100","2","100","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","Ethyl 2-(6-nitro-1<i>H</i>-indazol-1-yl)acetate","","- C11 H11 N3 O4 -","- C11 H11 N3 O4 -","- C88 H88 N24 O32 -","8","2","HB4127","Mohamed Abdelahi, Mohamed Mokhtar; El Bakri, Youness; Benchidmi, Mohammed; Essassi, El Mokhtar; Mague, Joel T.","Ethyl 2-(6-nitro-1<i>H</i>-indazol-1-yl)acetate","IUCrData","2017","2","3","x170432","","10.1107/S2414314617004321","","","0.71073","MoKα","","0.0581","0.0505","","","0.1376","0.1419","","","","","","1.037","","","","has coordinates,has disorder,has Fobs","194511","2020-10-21","18:00:00",""
"1545648","17.57","0.003","6.3994","0.001","8.869","0.0015","90","","95.641","0.008","90","","992.4","0.3","296","2","296","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","3,4-Dihydro-2<i>H</i>-benzo[4,5]imidazo[2,1-<i>b</i>][1,3]thiazin-3-ol","","- C10 H10 N2 O S -","- C10 H10 N2 O S -","- C40 H40 N8 O4 S4 -","4","1","","El Ouassif, Latifa; El Ghoul, Mostafa; Achour, Redouane; Saadi, Mohamed; El Ammari, Lahcen","3,4-Dihydro-2<i>H</i>-benzo[4,5]imidazo[2,1-<i>b</i>][1,3]thiazin-3-ol","IUCrData","2017","2","3","x170429","","10.1107/S2414314617004291","","","0.71073","MoKα","","0.0519","0.0437","","","0.1189","0.1262","","","","","","1.083","","","","has coordinates,has Fobs","194512","2020-10-21","18:00:00",""
"1545649","7.8931","0.0008","9.9295","0.001","10.2411","0.0011","101.751","0.001","105.968","0.002","109.482","0.001","687.77","0.12","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","(3<i>S</i>)-3,8-Dibromo-4-phenyl-2,3-dihydro-1<i>H</i>-1,5-benzodiazapin-2-one","","- C15 H10 Br2 N2 O -","- C15 H10 Br2 N2 O -","- C30 H20 Br4 N4 O2 -","2","1","BH4023","Essaghouani, Abdelhanine; Boulhaoua, Mohammed; Lahmidi, Sanae; Mohamed Abdelahi, Mohamed Mokhtar; Essassi, El Mokhtar; Mague, Joel T.","(3<i>S</i>)-3,8-Dibromo-4-phenyl-2,3-dihydro-1<i>H</i>-1,5-benzodiazapin-2-one","IUCrData","2017","2","3","x170389","","10.1107/S2414314617003893","","","0.71073","MoKα","","0.0326","0.0282","","","0.0716","0.0731","","","","","","1.07","","","","has coordinates,has disorder,has Fobs","194513","2020-10-21","18:00:00",""
"1545650","7.412","0.002","10.963","0.004","11.07","0.004","105.124","0.018","95.633","0.018","104.398","0.017","828.2","0.5","298","2","298","2","","","","","","","","5","P -1","-P 1","2","PM_I_2C","<i>cis</i>-[3-(2-Chloro-6-methylquinolin-3-yl)oxiran-2-yl](<i>p</i>-tolyl)methanone","","- C20 H16 Cl N O2 -","- C20 H16 Cl N O2 -","- C40 H32 Cl2 N2 O4 -","2","1","HB4122","Preveena, Narasimhamurthy; Hosamani, Amar A.; Praveen, Managutti; Nagendrappa, Gopalpur; Guru Row, Tayur N.","<i>cis</i>-[3-(2-Chloro-6-methylquinolin-3-yl)oxiran-2-yl](<i>p</i>-tolyl)methanone","IUCrData","2017","2","3","x170434","","10.1107/S2414314617004345","","","0.71073","MoKα","","0.0511","0.0422","","","0.1191","0.1244","","","","","","1.126","","","","has coordinates,has Fobs","194514","2020-10-21","18:00:00",""
"1545651","7.704","0.0018","9.325","0.002","25.54","0.006","90","","90","","90","","1834.8","0.7","296","","296.15","","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","<i>tert</i>-Butyl (2<i>S</i>,3<i>R</i>,4<i>R</i>)-7'-bromo-4-methyl-2',5-dioxo-4,5-dihydro-3<i>H</i>-spiro[furan-2,3'-indoline]-3-carboxylate","","- C17 H18 Br N O5 -","- C17 H18 Br N O5 -","- C68 H72 Br4 N4 O20 -","4","1","XU4024","Meng, Chen-Hong; Xia, Ai-Bao","<i>tert</i>-Butyl (2<i>S</i>,3<i>R</i>,4<i>R</i>)-7'-bromo-4-methyl-2',5-dioxo-4,5-dihydro-3<i>H</i>-spiro[furan-2,3'-indoline]-3-carboxylate","IUCrData","2017","2","3","x170412","","10.1107/S2414314617004126","","","0.71073","MoKα","","0.1034","0.0417","","","0.0805","0.0982","","","","","","0.997","","","","has coordinates,has Fobs","194515","2020-10-21","18:00:00",""
"1545652","7.4526","0.0017","7.9888","0.0019","10.692","0.002","85.916","0.01","80.181","0.01","65.237","0.01","569.6","0.2","200","2","200","","","","","","","","","6","P -1","-P 1","2","","Poly[diaqua(μ~3~-2,3-dioxoindoline-5-sulfonato)sodium]","","- C8 H8 N Na O7 S -","- C8 H8 N Na O7 S -","- C16 H16 N2 Na2 O14 S2 -","2","1","WM4043","Mills-Robles, Heather A.; Desikan, Vasumathi; Golen, James A.; Manke, David R.","Poly[diaqua(μ~3~-2,3-dioxoindoline-5-sulfonato)sodium]","IUCrData","2017","2","3","x170440","","10.1107/S2414314617004400","","","0.71073","MoKα","","0.0465","0.0339","","","0.0774","0.0825","","","","","","1.061","","","","has coordinates,has Fobs","194516","2020-10-21","18:00:00",""
"1545654","8.86","0.0018","10.405","0.002","18.908","0.004","100.08","0.03","94.73","0.03","99.66","0.03","1680.6","0.6","293","2","293","2","","","","","","","","3","P -1","-P 1","2","","","","- C11 H14 O4 -","- C11 H14 O4 -","- C66 H84 O24 -","6","3","","Liu, Wei; Ren, Wenlong; Li, Jingfu; Shi, Yuan; Chang, Wenju; Shi, Yian","A Ligand-Directed Catalytic Regioselective Hydrocarboxylation of Aryl Olefins with Pd and Formic Acid.","Organic letters","2017","19","7","1748","1751","10.1021/acs.orglett.7b00507","","","0.71073","MoKα","","0.1761","0.0961","","","0.2139","0.2514","","","","","","1.019","","","","has coordinates,has disorder","196181","2020-10-21","18:00:00",""
"1545656","10.0039","0.0012","11.6625","0.0013","25.912","0.003","90","","94.479","0.003","90","","3013.9","0.6","297","2","297","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C37 H29 Br N2 O2 -","- C37 H29 Br N2 O2 -","- C148 H116 Br4 N8 O8 -","4","2","","Zhu, Guodong; Wei, Qian; Chen, Hongbo; Zhang, Yanpeng; Shen, Wen; Qu, Jingping; Wang, Baomin","Asymmetric [3 + 2] Cycloaddition of 3-Amino Oxindole-Based Azomethine Ylides and α,β-Enones with Divergent Diastereocontrol on the Spiro[pyrrolidine-oxindoles].","Organic letters","2017","19","7","1862","1865","10.1021/acs.orglett.7b00625","","","0.71073","MoKα","","0.0591","0.0424","","","0.1041","0.1103","","","","","","1.024","","","","has coordinates","196186","2020-10-21","18:00:00",""
"1545657","12.4503","0.0007","9.3115","0.0004","15.1532","0.0008","90","","103.909","0.002","90","","1705.22","0.15","173","2","173","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C41 H39 Br N2 O3 -","- C41 H39 Br N2 O3 -","- C82 H78 Br2 N4 O6 -","2","1","","Zhu, Guodong; Wei, Qian; Chen, Hongbo; Zhang, Yanpeng; Shen, Wen; Qu, Jingping; Wang, Baomin","Asymmetric [3 + 2] Cycloaddition of 3-Amino Oxindole-Based Azomethine Ylides and α,β-Enones with Divergent Diastereocontrol on the Spiro[pyrrolidine-oxindoles].","Organic letters","2017","19","7","1862","1865","10.1021/acs.orglett.7b00625","","","0.71073","MoKα","","0.0653","0.0455","","","0.0891","0.0956","","","","","","1.002","","","","has coordinates","196186","2020-10-21","18:00:00",""
"1545658","17.1821","0.0002","6.16924","0.00007","17.8483","0.0002","90","","106.502","0.0015","90","","1814","0.04","150","0.1","150","0.1","","","","","","","synthesis as described","4","P 1 2/n 1","-P 2yac","13","","","","- C17 H30 N O5 -","- C17 H30 N O5 -","- C68 H120 N4 O20 -","4","1","","Garmendia, Sofiem; Mantione, Daniele; Alonso-de Castro, Silvia; Jehanno, Coralie; Lezama, Luis; Hedrick, James L.; Mecerreyes, David; Salassa, Luca; Sardon, Haritz","Polyurethane based organic macromolecular contrast agents (PU-ORCAs) for magnetic resonance imaging","Polym. Chem.","2017","8","17","2693","","10.1039/C7PY00166E","","x-ray","1.54184","CuKα","","0.0362","0.0338","","","0.0858","0.0878","","","","","","1.028","","","","has coordinates","196525","2020-10-21","18:00:00",""
"1545659","10.429","0.006","8.033","0.004","13.269","0.007","90","","95.243","0.01","90","","1107","1","296","2","296","2","","","","","","","","3","P 1 21 1","P 2yb","4","","","","- C28 H32 O -","- C28 H32 O -","- C56 H64 O2 -","2","1","","Shen, Yangyong; Huang, Bo; Zheng, Jing; Lin, Chen; Liu, Yu; Cui, Sunliang","Csp-Csp(3) Bond Formation via Iron(III)-Promoted Hydroalkynylation of Unactivated Alkenes.","Organic letters","2017","19","7","1744","1747","10.1021/acs.orglett.7b00499","","","0.71073","MoKα","","0.072","0.043","","","0.0873","0.1011","","","","","","1.02","","","","has coordinates","196180","2020-10-21","18:00:00",""
"1545660","6.04388","0.00008","22.18157","0.00015","13.72525","0.00015","90","","92.9646","0.0012","90","","1837.58","0.03","100","2","100","2","","","","","","","","7","P 1 21 1","P 2yb","4","","","","- C39 H44 Br N O6 S Si -","- C32 H36 Br N O6 S Si -","- C64 H72 Br2 N2 O12 S2 Si2 -","2","1","","Milde, Bastian; Pawliczek, Martin; Jones, Peter G.; Werz, Daniel B.","Enantioselective Total Synthesis of (+)-Lysergol: A Formal anti-Carbopalladation/Heck Cascade as the Key Step","Organic Letters","2017","","","","","10.1021/acs.orglett.7b00675","","","1.54184","CuKα","","0.0374","0.0365","","","0.0956","0.0964","","","","","","1.016","","","","has coordinates","194627","2020-10-21","18:00:00",""
"1545661","13.7608","0.0004","7.3158","0.0002","17.9639","0.0005","90","","104.13","0.001","90","","1753.73","0.09","296","2","296","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C18 H26 O5 -","- C18 H26 O5 -","- C72 H104 O20 -","4","1","","Xiao, Zheming; Li, Yayue; Gao, Shuanhu","Total Synthesis and Structural Determination of the Dimeric Tetrahydroxanthone Ascherxanthone A.","Organic letters","2017","19","7","1834","1837","10.1021/acs.orglett.7b00592","","","0.71073","MoKα","","0.0556","0.0442","","","0.1249","0.1358","","","","","","1.041","","","","has coordinates","196187","2020-10-21","18:00:00",""
"1545662","7.1873","0.0004","16.9756","0.001","26.5949","0.0016","90","","90","","90","","3244.8","0.3","296","2","296","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C32 H34 O10 -","- C32 H34 O10 -","- C128 H136 O40 -","4","1","","Xiao, Zheming; Li, Yayue; Gao, Shuanhu","Total Synthesis and Structural Determination of the Dimeric Tetrahydroxanthone Ascherxanthone A.","Organic letters","2017","19","7","1834","1837","10.1021/acs.orglett.7b00592","","","0.71073","MoKα","","0.1041","0.0702","","","0.1814","0.1994","","","","","","0.994","","","","has coordinates","196187","2020-10-21","18:00:00",""
"1545663","7.7914","0.0009","8.255","0.0009","16.9969","0.0019","92.455","0.003","97.868","0.004","111.507","0.003","1002.4","0.2","296","2","296","2","","","","","","","","3","P -1","-P 1","2","","","","- C18 H24 O6 -","- C18 H24 O6 -","- C36 H48 O12 -","2","1","","Xiao, Zheming; Li, Yayue; Gao, Shuanhu","Total Synthesis and Structural Determination of the Dimeric Tetrahydroxanthone Ascherxanthone A.","Organic letters","2017","19","7","1834","1837","10.1021/acs.orglett.7b00592","","","0.71073","MoKα","","0.0537","0.043","","","0.1225","0.1278","","","","","","1.082","","","","has coordinates","196187","2020-10-21","18:00:00",""
"1545664","8.875","0.007","10.93","0.008","11.258","0.009","112.189","0.009","98.039","0.009","93.399","0.009","993.7","1.3","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C24 H23 B N2 O -","- C24 H23 B N2 O -","- C48 H46 B2 N4 O2 -","2","1","","Chen, Na; Zhang, Wenjie; Chen, Shun; Wu, Qinghua; Yu, Changjiang; Wei, Yun; Xu, Yuekang; Hao, Erhong; Jiao, Lijuan","Sterically Protected N2O-Type Benzopyrromethene Boron Complexes from Boronic Acids with Intense Red/Near-Infrared Fluorescence.","Organic letters","2017","19","8","2026","2029","10.1021/acs.orglett.7b00601","","","0.71073","MoKα","","0.0922","0.0608","","","0.1625","0.1814","","","","","","1.071","","","","has coordinates","196174","2020-10-21","18:00:00",""
"1545665","8.2331","0.0006","13.1144","0.001","25.5836","0.0019","90","","90","","90","","2762.3","0.4","296","2","296","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","o-tol","","","- C16 H13 B F2 O2 -","- C16 H13 B F2 O2 -","- C128 H104 B8 F16 O16 -","8","1","","Tanaka, Mirai; Muraoka, Shunsuke; Matsui, Yasunori; Ohta, Eisuke; Ogaki, Takuya; Mizuno, Kazuhiko; Ikeda, Hiroshi","Cooperative Effects of o- and m-Methyl Groups on the Intramolecular Charge-Transfer Emission Properties of Dibenzoylmethanatoboron Difluorides","Photochem. Photobiol. Sci.","2017","","","","","10.1039/C7PP00005G","","","0.71075","MoKα","","0.1237","0.0758","","","0.2059","0.2586","","","","","","1.088","","","","has coordinates","194645","2020-10-21","18:00:00",""
"1545666","14.2946","0.0013","14.013","0.001","15.2327","0.0011","90","","104.76","0.003","90","","2950.6","0.4","296","2","296","2","","","","","","","","5","P 1 21/a 1","-P 2yab","14","p-xyBF2","","","- C17 H15 B F2 O2 -","- C17 H15 B F2 O2 -","- C136 H120 B8 F16 O16 -","8","2","","Tanaka, Mirai; Muraoka, Shunsuke; Matsui, Yasunori; Ohta, Eisuke; Ogaki, Takuya; Mizuno, Kazuhiko; Ikeda, Hiroshi","Cooperative Effects of o- and m-Methyl Groups on the Intramolecular Charge-Transfer Emission Properties of Dibenzoylmethanatoboron Difluorides","Photochem. Photobiol. Sci.","2017","","","","","10.1039/C7PP00005G","","","0.71075","MoKα","","0.126","0.0583","","","0.1484","0.1931","","","","","","0.876","","","","has coordinates","214153","2020-10-21","18:00:00",""
"1545667","7.1998","0.0017","14.199","0.003","14.276","0.004","90","","102.928","0.005","90","","1422.4","0.6","296","2","296","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","m-tolBF2","","","- C16 H13 B F2 O2 -","- C16 H13 B F2 O2 -","- C64 H52 B4 F8 O8 -","4","1","","Tanaka, Mirai; Muraoka, Shunsuke; Matsui, Yasunori; Ohta, Eisuke; Ogaki, Takuya; Mizuno, Kazuhiko; Ikeda, Hiroshi","Cooperative Effects of o- and m-Methyl Groups on the Intramolecular Charge-Transfer Emission Properties of Dibenzoylmethanatoboron Difluorides","Photochem. Photobiol. Sci.","2017","","","","","10.1039/C7PP00005G","","","0.71075","MoKα","","0.22","0.0788","","","0.2089","0.2597","","","","","","0.801","","","","has coordinates,has disorder","194645","2020-10-21","18:00:00",""
"1545668","9.956","0.002","7.274","0.0015","21.198","0.004","90","","91.92","0.03","90","","1534.3","0.5","153","2","153","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C15 H17 N5 O -","- C15 H17 N5 O -","- C60 H68 N20 O4 -","4","1","","Peng, Lu; Xu, Shidang; Zheng, Xiaokun; Cheng, Xiamin; Zhang, Ruoyu; Liu, Jie; Liu, Bin; Tong, Aijun","Rational Design of a Red-Emissive Fluorophore with AIE and ESIPT Characteristics and Its Application in Light-Up Sensing of Esterase.","Analytical chemistry","2017","89","5","3162","3168","10.1021/acs.analchem.6b04974","","","0.71073","MoKα","","0.1338","0.0887","","","0.1217","0.1386","","","","","","1.071","","","","has coordinates,has disorder","194661","2020-10-21","18:00:00",""
"1545669","21.052","0.006","9.434","0.003","29.833","0.009","90","","90","","90","","5925","3","100","","100","","","","","","","","","6","P c c a","-P 2a 2ac","54","","","","- C33 H21 F6 N4 Ni P -","- C33 H21 F6 N4 Ni P -","- C264 H168 F48 N32 Ni8 P8 -","8","1","","Adinarayana, B.; Thomas, Ajesh P.; Satha, Pardhasaradhi; Srinivasan, A.","Syntheses of Bipyricorroles and Their Meso‒Meso Coupled Dimers","Organic Letters","2017","","","","","10.1021/acs.orglett.7b00513","","","0.71073","MoKα","","0.1365","0.1038","","","0.2696","0.2927","","","","","","1.046","","","","has coordinates","194672","2020-10-21","18:00:00",""
"1545670","8.9811","0.0001","11.1167","0.0001","27.2624","0.0003","90","","99.056","0.001","90","","2687.95","0.05","100","","100","","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C35 H26 N4 O3 Pd -","- C35 H26 N4 O3 Pd -","- C140 H104 N16 O12 Pd4 -","4","1","","Adinarayana, B.; Thomas, Ajesh P.; Satha, Pardhasaradhi; Srinivasan, A.","Syntheses of Bipyricorroles and Their Meso‒Meso Coupled Dimers","Organic Letters","2017","","","","","10.1021/acs.orglett.7b00513","","","0.71073","MoKα","","0.0768","0.0589","","","0.1731","0.1875","","","","","","1.027","","","","has coordinates","194672","2020-10-21","18:00:00",""
"1545671","21.0949","0.0015","9.3501","0.0006","30.015","0.002","90","","90","","90","","5920.1","0.7","100","","100","","","","","","","","","7","P c c a","-P 2a 2ac","54","","","","- C33 H21 Cl0 F6 N4 P Pd -","- C33 H21 F6 N4 P Pd -","- C264 H168 F48 N32 P8 Pd8 -","8","1","","Adinarayana, B.; Thomas, Ajesh P.; Satha, Pardhasaradhi; Srinivasan, A.","Syntheses of Bipyricorroles and Their Meso‒Meso Coupled Dimers","Organic Letters","2017","","","","","10.1021/acs.orglett.7b00513","","","0.71073","MoKα","","0.1176","0.0851","","","0.23","0.2486","","","","","","1.091","","","","has coordinates","194672","2020-10-21","18:00:00",""
"1545672","15.541","0.005","30.436","0.005","12.894","0.005","90","0.005","99.353","0.005","90","0.005","6018","3","100","","100","","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C66 H40 F12 N8 P2 Pd2 -","- C66 H40 F12 N8 P2 Pd2 -","- C264 H160 F48 N32 P8 Pd8 -","4","1","","Adinarayana, B.; Thomas, Ajesh P.; Satha, Pardhasaradhi; Srinivasan, A.","Syntheses of Bipyricorroles and Their Meso‒Meso Coupled Dimers","Organic Letters","2017","","","","","10.1021/acs.orglett.7b00513","","","0.71069","MoKα","","0.1753","0.0842","","","0.1958","0.2274","","","","","","0.949","","","","has coordinates","194672","2020-10-21","18:00:00",""
"1545673","13.3231","0.0002","13.3242","0.0002","9.37918","0.00006","90","","90","","90","","1664.99","0.04","","","","","","","","","","","","4","P c c 2","P 2 -2c","27","Sr4Al6O12SO4","","","- Al6 O16 S Sr4 -","- Al6 O16 S Sr4 -","- Al24 O64 S4 Sr16 -","4","1","","Banno, H.; Ichikawa, S.; Takeda, S.; Asaka, T.; Colas, M.; Thomas, P.; Fukuda, K.","Crystal structures and polymorphism of Sr4[Al6O12]SO4 :data @ 298 K","Journal of the Ceramic Society of Japan","2017","125","","364","370","","","","","","","","","","","","","","","","","","","","","","has coordinates","194762","2020-10-21","18:00:00",""
"1545674","9.42561","0.00003","9.42561","0.00003","9.42561","0.00003","90","","90","","90","","837.391","0.005","","","","","","","","","","","","4","I 2 3","I 2 2 3","197","Sr4Al6O12SO4 at 573 K","","","- Al6 O16 S Sr4 -","- Al6 O16.208 S Sr4 -","- Al12 O32.416 S2 Sr8 -","2","0.0833333","","Banno, H.; Ichikawa, S.; Takeda, S.; Asaka, T.; Colas, M.; Thomas, P.; Fukuda, K.","Crystal structures and polymorphism of Sr4[Al6O12]SO4 :data @ 573 K","Journal of the Ceramic Society of Japan","2017","125","","364","370","","","","","","","","","","","","","","","","","","","","","","has coordinates","194763","2020-10-21","18:00:00",""
"1545675","27.621","0.009","11.002","0.003","15.786","0.005","90","","102.12","0.013","90","","4690","2","100","2","100","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C25 H27 Cl F N O6 -","- C25 H27 Cl F N O6 -","- C200 H216 Cl8 F8 N8 O48 -","8","1","","Lee, Hung Lin; Vasoya, Jaydip M.; Cirqueira, Marilia de Lima; Yeh, Kuan Lin; Lee, Tu; Serajuddin, Abu T. M.","Continuous Preparation of 1:1 Haloperidol-Maleic Acid Salt by a Novel Solvent-Free Method Using a Twin Screw Melt Extruder.","Molecular pharmaceutics","2017","14","4","1278","1291","10.1021/acs.molpharmaceut.7b00003","","","0.71073","MoKα","","0.0717","0.0546","","","0.1729","0.1973","","","","","","1.089","","","","has coordinates","194764","2020-10-21","18:00:00",""
"1545676","9.66794","0.00007","8.67141","0.00005","5.29192","0.00004","90","","110.094","0.0006","90","","416.641","0.005","","","","","","","","","","","","4","C 1 2/c 1","-C 2yc","15","LiFeSi2O6","","","- Fe Li O6 Si2 -","- Fe Li O6 Si2 -","- Fe4 Li4 O24 Si8 -","4","0.5","","Ishida, N.; Sakatsume, K.; Kitamura, N.; Idemoto, Y.","Improvement of electrochemical property of pyroxene-type LiFeSi2O6 and crystal-structure analysis","Journal of the Ceramic Society of Japan","2017","125","","281","286","","","","","","","","","","","","","","","","","","","","","","has coordinates","194770","2020-10-21","18:00:00",""
"1545677","9.8614","0.0019","11.994","0.002","13.532","0.003","90","","90","","90","","1600.5","0.5","98","","98","","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C21 H18 O2 -","- C21 H18 O2 -","- C84 H72 O8 -","4","1","","Marichev, Kostiantyn O.; Ramey, Justin T.; Arman, Hadi; Doyle, Michael P.","Highly Regio-, Diastereo-, and Enantioselective Rhodium-Catalyzed Intramolecular Cyclopropanation of (Z)-1,3-Dienyl Aryldiazoacetates.","Organic letters","2017","19","6","1306","1309","10.1021/acs.orglett.7b00119","","","0.71075","MoKα","","0.0378","0.0365","","","0.0847","0.0855","","","","","","1.02","","","","has coordinates","194772","2020-10-21","18:00:00",""
"1545678","9.8938","0.0009","13.3712","0.0012","15.521","0.0014","64.492","0.001","78.484","0.001","71.755","0.001","1755","0.3","100","","100","","","","","","","","","5","P -1","-P 1","2","","[?5:Cs(diglyme)?6-K:?3-K(diglyme)(corannulene trianion)]","","- C32 H38 Cs K2 O6 -","- C32 H38 Cs K2 O6 -","- C64 H76 Cs2 K4 O12 -","2","1","","Spisak, Sarah N.; Rogachev, Andrey Yu.; Zabula, Alexander V.; Filatov, Alexander S.; Clérac, Rodolphe; Petrukhina, Marina A.","Tuning the separation and coupling of corannulene trianion-radicals through sizable alkali metal belts","Chem. Sci.","2017","8","4","3137","","10.1039/C6SC05370J","","","0.71073","MoKα","","0.0549","0.0497","","","0.1158","0.1204","","","","","","1.048","","","","has coordinates,has disorder","194904","2020-10-21","18:00:00",""
"1545679","11.1768","0.0008","17.5414","0.0015","9.0952","0.0007","90","","92.607","0.004","90","","1781.3","0.2","273","2","273.15","","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C16 H13 Cl N3 O4 Re -","- C16 H13 Cl N3 O4 Re -","- C64 H52 Cl4 N12 O16 Re4 -","4","1","","Chabolla, S. A.; Machan, C. W.; Yin, J.; Dellamary, E. A.; Sahu, S.; Gianneschi, N. C.; Gilson, M. K.; Tezcan, F. A.; Kubiak, C. P.","Bio-inspired CO2 reduction by a rhenium tricarbonyl bipyridine-based catalyst appended to amino acids and peptidic platforms: incorporating proton relays and hydrogen-bonding functional groups","Faraday Discuss.","2017","","","","","10.1039/C7FD00003K","","x-ray","0.71073","MoKα","","0.1196","0.0643","","","0.1264","0.1466","","","","","","1.043","","","","has coordinates","194916","2020-10-21","18:00:00",""
"1545680","8.4492","0.0007","9.1167","0.0005","9.1545","0.0008","81.461","0.006","77.033","0.007","80.551","0.006","673.27","0.09","298","2","298","2","","","","","","","","5","P -1","-P 1","2","((E)-4-((3,5-Dichloro-2-Hydroxybenzylidene)amino)benzamide","((E)-4-((3,5-Dichloro-2-Hydroxybenzylidene)amino)benzamide","","- C14 H10 Cl2 N2 O2 -","- C14 H10 Cl2 N2 O2 -","- C28 H20 Cl4 N4 O4 -","2","1","LQ5003","Mittapalli, Sudhir; Sravanakumar Perumalla, D.; Nangia, Ashwini","Mechanochemical synthesis of <i>N</i>-salicylideneaniline: thermosalient effect of polymorphic crystals","IUCrJ","2017","4","3","","","10.1107/S2052252517004043","","","1.54184","CuKα","","0.0888","0.0491","","","0.0922","0.1183","","","","","","0.977","","","","has coordinates","195194","2020-10-21","18:00:00",""
"1545681","8.3558","0.0004","12.7516","0.0009","13.0135","0.0009","78.05","0.006","77.167","0.005","88.734","0.004","1322.24","0.15","298","2","298","2","","","","","","","","5","P -1","-P 1","2","((E)-4-((3,5-Dichloro-2-Hydroxybenzylidene)amino)benzamide","((E)-4-((3,5-Dichloro-2-Hydroxybenzylidene)amino)benzamide","","- C14 H10 Cl2 N2 O2 -","- C14 H10 Cl2 N2 O2 -","- C56 H40 Cl8 N8 O8 -","4","2","LQ5003","Mittapalli, Sudhir; Sravanakumar Perumalla, D.; Nangia, Ashwini","Mechanochemical synthesis of <i>N</i>-salicylideneaniline: thermosalient effect of polymorphic crystals","IUCrJ","2017","4","3","","","10.1107/S2052252517004043","","","1.54184","CuKα","","0.0564","0.0433","","","0.107","0.1193","","","","","","1.042","","","","has coordinates","195194","2020-10-21","18:00:00",""
"1545682","7.2798","0.0009","13.2794","0.0015","14.5473","0.0009","87.618","0.007","80.816","0.007","75.707","0.01","1345.3","0.2","298","2","298","2","","","","","","","","5","P -1","-P 1","2","((E)-4-((3,5-Dichloro-2-Hydroxybenzylidene)amino)benzamide","((E)-4-((3,5-Dichloro-2-Hydroxybenzylidene)amino)benzamide","","- C14 H10 Cl2 N2 O2 -","- C14 H10 Cl2 N2 O2 -","- C56 H40 Cl8 N8 O8 -","4","2","LQ5003","Mittapalli, Sudhir; Sravanakumar Perumalla, D.; Nangia, Ashwini","Mechanochemical synthesis of <i>N</i>-salicylideneaniline: thermosalient effect of polymorphic crystals","IUCrJ","2017","4","3","","","10.1107/S2052252517004043","","","1.54184","CuKα","","0.1063","0.0616","","","0.1604","0.2179","","","","","","0.988","","","","has coordinates","195194","2020-10-21","18:00:00",""
"1545683","7.4309","0.0014","13.296","0.002","14.694","0.003","87.6","0.006","80.034","0.007","75.859","0.007","1386.5","0.4","453","2","453","2","","","","","","","","5","P -1","-P 1","2","((E)-4-((3,5-Dichloro-2-Hydroxybenzylidene)amino)benzamide","((E)-4-((3,5-Dichloro-2-Hydroxybenzylidene)amino)benzamide","","- C14 H10 Cl2 N2 O2 -","- C14 H10 Cl2 N2 O2 -","- C56 H40 Cl8 N8 O8 -","4","2","","Mittapalli, Sudhir; Sravanakumar Perumalla, D.; Nangia, Ashwini","Mechanochemical synthesis of <i>N</i>-salicylideneaniline: thermosalient effect of polymorphic crystals","IUCrJ","2017","4","3","","","10.1107/S2052252517004043","","","0.71073","MoKα","","0.0639","0.0541","","","0.1472","0.1572","","","","","","1.044","","","","has coordinates","195194","2020-10-21","18:00:00",""
"1545684","8.3928","0.0007","9.2815","0.0008","9.3877","0.0008","81.62","0.007","75.049","0.007","81.589","0.007","694.45","0.11","298","2","298","2","","","","","","","","5","P -1","-P 1","2","((E)-4-((3,5-Dibromo-2-Hydroxybenzylidene)amino)benzamide","((E)-4-((3,5-Dibromo-2-Hydroxybenzylidene)amino)benzamide","","- C14 H10 Br2 N2 O2 -","- C14 H10 Br2 N2 O2 -","- C28 H20 Br4 N4 O4 -","2","1","","Mittapalli, Sudhir; Sravanakumar Perumalla, D.; Nangia, Ashwini","Mechanochemical synthesis of <i>N</i>-salicylideneaniline: thermosalient effect of polymorphic crystals","IUCrJ","2017","4","3","","","10.1107/S2052252517004043","","","1.54184","CuKα","","0.0407","0.0369","","","0.0965","0.1007","","","","","","1.05","","","","has coordinates","195194","2020-10-21","18:00:00",""
"1545685","8.4678","0.0006","9.6066","0.0007","9.6522","0.0007","81.239","0.002","84.45","0.002","72.336","0.002","738.36","0.09","298","2","298","2","","","","","","","","5","P -1","-P 1","2","((E)-4-((3,5-Diiodo-2-Hydroxybenzylidene)amino)benzamide","((E)-4-((3,5-Diiodo-2-Hydroxybenzylidene)amino)benzamide","","- C14 H10 I2 N2 O2 -","- C14 H10 I2 N2 O2 -","- C28 H20 I4 N4 O4 -","2","1","","Mittapalli, Sudhir; Sravanakumar Perumalla, D.; Nangia, Ashwini","Mechanochemical synthesis of <i>N</i>-salicylideneaniline: thermosalient effect of polymorphic crystals","IUCrJ","2017","4","3","","","10.1107/S2052252517004043","","","0.71073","MoKα","","0.0489","0.0337","","","0.0742","0.0809","","","","","","1.017","","","","has coordinates","195194","2020-10-21","18:00:00",""
"1545686","14.853","0.003","7.5783","0.0013","19.985","0.003","90","","101.843","0.003","90","","2201.6","0.7","293","2","293","2","","","","","","","synthesis as described","5","P 1 21/c 1","-P 2ybc","14","","","","- C23 H24 F5 N O -","- C23 H24 F5 N O -","- C92 H96 F20 N4 O4 -","4","1","","Zhao, Qun; Tognetti, Vincent; Joubert, Laurent; Besset, Tatiana; Pannecoucke, Xavier; Bouillon, Jean-Philippe; Poisson, Thomas","Palladium-Catalyzed Synthesis of 3-Trifluoromethyl-Substituted 1,3-Butadienes by Means of Directed C-H Bond Functionalization.","Organic letters","2017","19","8","2106","2109","10.1021/acs.orglett.7b00704","","x-ray","0.71073","MoKα","","0.1126","0.0838","","","0.1938","0.2092","","","","","","1.189","","","","has coordinates,has disorder","196168","2020-10-21","18:00:00",""
"1545687","9.4823","0.0006","9.4823","0.0006","24.418","0.002","90","","90","","90","","2195.5","0.3","100","2","100","","","","","","","","","6","P 41","P 4w","76","JLH-3-168","JLH-3-168","","- C23 H20 Br2 N2 Ni O2 -","- C23 H20 Br2 N2 Ni O2 -","- C92 H80 Br8 N8 Ni4 O8 -","4","1","","Suzuki, Naoyuki; Hofstra, Julie L.; Poremba, Kelsey E.; Reisman, Sarah E.","Nickel-Catalyzed Enantioselective Cross-Coupling of N-Hydroxyphthalimide Esters with Vinyl Bromides.","Organic letters","2017","19","8","2150","2153","10.1021/acs.orglett.7b00793","","","0.71073","MoKα","","0.058","0.047","","","0.1114","0.1168","","","","","","1.056","","","","has coordinates","196176","2020-10-21","18:00:00",""
"1545688","21.1207","0.0014","11.2623","0.0008","22.7007","0.0015","90","","114.329","0.001","90","","4920.2","0.6","100","2","100","2","","","","","","","","8","P 1 21/c 1","-P 2ybc","14","","","","- C95 H112 B2 Cl6 F8 Ir2 N10 S2 -","- C95 H112 B2 Cl6 F8 Ir2 N10 S2 -","- C190 H224 B4 Cl12 F16 Ir4 N20 S4 -","2","0.5","","Perez, laura Rubio; Iglesias, Manuel; Munarriz, Julen; Polo, Victor; Passarelli, Vincenzo; Pérez-Torrente, Jesús J. J.; Oro, Luis A.","A Well-Defined NHC-Ir(III) Catalyst for the Silylation of Aromatic C‒H Bonds: Substrate Survey and Mechanistic Insights","Chem. Sci.","2017","","","","","10.1039/C6SC04899D","","","0.71073","MoKα","","0.0554","0.0406","","","0.0902","0.0971","","","","","","1.039","","","","has coordinates,has disorder","195222","2020-10-21","18:00:00",""
"1545689","20.444","0.001","18.957","0.001","20.8205","0.0011","90","","90","","90","","8069.1","0.7","100","2","100","2","","","","","","","","6","P b c a","-P 2ac 2ab","61","","","","- C42 H53 B F4 Ir N5 -","- C42 H53 B F4 Ir N5 -","- C336 H424 B8 F32 Ir8 N40 -","8","1","","Perez, laura Rubio; Iglesias, Manuel; Munarriz, Julen; Polo, Victor; Passarelli, Vincenzo; Pérez-Torrente, Jesús J. J.; Oro, Luis A.","A Well-Defined NHC-Ir(III) Catalyst for the Silylation of Aromatic C‒H Bonds: Substrate Survey and Mechanistic Insights","Chem. Sci.","2017","","","","","10.1039/C6SC04899D","","","0.71073","MoKα","","0.0571","0.031","","","0.0676","0.0789","","","","","","1.03","","","","has coordinates,has disorder","195222","2020-10-21","18:00:00",""
"1545690","11.1839","0.0007","11.2131","0.0007","19.4442","0.0012","89.534","0.001","80.579","0.001","85.221","0.001","2397.1","0.3","100","2","100","2","","","","","","","","7","P -1","-P 1","2","","","","- C49 H57 B Cl2 F4 Ir N5 -","- C49.003 H57.006 B Cl2.003 F4 Ir N5 -","- C98.006 H114.012 B2 Cl4.006 F8 Ir2 N10 -","2","1","","Perez, laura Rubio; Iglesias, Manuel; Munarriz, Julen; Polo, Victor; Passarelli, Vincenzo; Pérez-Torrente, Jesús J. J.; Oro, Luis A.","A Well-Defined NHC-Ir(III) Catalyst for the Silylation of Aromatic C‒H Bonds: Substrate Survey and Mechanistic Insights","Chem. Sci.","2017","","","","","10.1039/C6SC04899D","","","0.71073","MoKα","","0.0398","0.0331","","","0.0783","0.082","","","","","","1.066","","","","has coordinates,has disorder","195222","2020-10-21","18:00:00",""
"1545691","10.302","0.002","19.2","0.004","25.761","0.005","90","","93.99","0.03","90","","5083.1","1.8","173.15","","173","2","","","","","","","","5","C 1 c 1","C -2yc","9","","","","- C65 H50 Br2 N2 Ni -","- C65 H50 Br2 N2 Ni -","- C260 H200 Br8 N8 Ni4 -","4","1","","Wang, Xinxin; Fan, Linlin; Ma, Yanping; Guo, Cunyue; Solan, Gregory; Sun, Yang; Sun, Wen Hua","Elastomeric polyethylenes accessible via ethylene homo-polymerization using an unsymmetrical α-diimino-nickel catalyst","Polym. Chem.","2017","","","","","10.1039/C7PY00434F","","","0.71073","MoKα","","0.0875","0.0778","","","0.2153","0.2374","","","","","","1.062","","","","has coordinates","214153","2020-10-21","18:00:00",""
"1545692","15.579","0.003","20.196","0.004","21.046","0.004","90","","94.22","0.03","90","","6604","2","446","2","446","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C69 H58 Br2 N2 Ni -","- C69 H58 Br2 N2 Ni -","- C276 H232 Br8 N8 Ni4 -","4","1","","Wang, Xinxin; Fan, Linlin; Ma, Yanping; Guo, Cunyue; Solan, Gregory; Sun, Yang; Sun, Wen Hua","Elastomeric polyethylenes accessible via ethylene homo-polymerization using an unsymmetrical α-diimino-nickel catalyst","Polym. Chem.","2017","","","","","10.1039/C7PY00434F","","","0.71073","MoKα","","0.1232","0.0944","","","0.2417","0.2632","","","","","","1.124","","","","has coordinates","195237","2020-10-21","18:00:00",""
"1545693","8.2479","0.0003","13.1646","0.0004","28.6827","0.0009","90","","90","","90","","3114.38","0.18","296","2","296","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C34 H37 N O11 -","- C34 H37 N O11 -","- C136 H148 N4 O44 -","4","1","","Wang, Guo-Cai; Fan, Yao-Yue; Shyaula, Sajan L.; Yue, Jian-Min","Triconoids A‒D, Four Limonoids Possess Two Rearranged Carbon Skeletons from Trichilia connaroides","Organic Letters","2017","","","","","10.1021/acs.orglett.7b00873","","","1.54178","CuKα","","0.0526","0.05","","","0.1471","0.1505","","","","","","1.092","","","","has coordinates","195247","2020-10-21","18:00:00",""
"1545694","11.5218","0.0004","9.9089","0.0003","16.3736","0.0005","90","","90","","90","","1869.35","0.1","100","2","100","2","","","","","","","","4","P n a 21","P 2c -2n","33","RD-1-181","","","- C24 H23 N O -","- C24 H23 N O -","- C96 H92 N4 O4 -","4","1","","Dhungana, Roshan K.; Shrestha, Bijay; Thapa-Magar, Rajani; Basnet, Prakash; Giri, Ramesh","Pd-Catalyzed Regioselective 1,2-Dicarbofunctionalization of Unactivated Olefins by a Heck Reaction/Enolate Cyclization Cascade.","Organic letters","2017","19","8","2154","2157","10.1021/acs.orglett.7b00794","","","0.71073","MoKα","","0.0583","0.0416","","","0.0791","0.0858","","","","","","1.021","","","","has coordinates","196177","2020-10-21","18:00:00",""
"1545695","6.9626","0.001","11.1199","0.0015","11.382","0.002","75.755","0.014","89.506","0.014","83.992","0.012","849.3","0.2","293","2","293","2","","","","","","","","4","P -1","-P 1","2","","","","- C20 H14 Br2 O2 -","- C20 H14 Br2 O2 -","- C40 H28 Br4 O4 -","2","1","","Corici, Livia; Sova, Sergiu; Badea, Valentin; Aparaschivei, Diana; Costisor, Otilia; Cseh, Liliana","Investigations on photochromic properties of 2,6-bis(5-bromo-2-hydroxybenzylidene)cyclohexanone","Photochem. Photobiol. Sci.","2017","","","","","10.1039/C6PP00466K","","x-ray","0.71073","MoKα","","0.0665","0.0406","","","0.0698","0.0785","","","","","","0.986","","","","has coordinates","195259","2020-10-21","18:00:00",""
"1545696","13.2991","0.0006","20.2762","0.0012","15.0236","0.0007","90","","91.184","0.005","90","","4050.3","0.4","200","0.14","200","0.14","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C20 H15.75 Br2 Cl O6.38 -","- C20 H15.75 Br2 Cl O6.375 -","- C160 H126 Br16 Cl8 O51 -","8","4","","Corici, Livia; Sova, Sergiu; Badea, Valentin; Aparaschivei, Diana; Costisor, Otilia; Cseh, Liliana","Investigations on photochromic properties of 2,6-bis(5-bromo-2-hydroxybenzylidene)cyclohexanone","Photochem. Photobiol. Sci.","2017","","","","","10.1039/C6PP00466K","","x-ray","0.71073","MoKα","","0.1335","0.0759","","","0.1755","0.2089","","","","","","1.018","","","","has coordinates,has disorder","195259","2020-10-21","18:00:00",""
"1545697","9.9804","0.0017","10.4605","0.0018","12.323","0.002","79.674","0.002","72.628","0.001","78.533","0.001","1193.4","0.3","571","2","571.15","","","","","","","","","5","P -1","-P 1","2","","","","- C22 H18 F6 N4 S2 -","- C22 H18 F6 N4 S2 -","- C44 H36 F12 N8 S4 -","2","1","","Wei, Fang; Zhou, Tong; Ma, Yudao; Tung, Chen-Ho; Xu, Zhenghu","Bench-Stable 5-Stannyl Triazoles by a Copper(I)-Catalyzed Interrupted Click Reaction: Bridge to Trifluoromethyltriazoles and Trifluoromethylthiotriazoles.","Organic letters","2017","19","8","2098","2101","10.1021/acs.orglett.7b00701","","","0.71073","MoKα","","0.0708","0.0544","","","0.1328","0.1522","","","","","","1.095","","","","has coordinates","196169","2020-10-21","18:00:00",""
"1545698","22.0726","0.0004","22.0726","0.0004","22.0726","0.0004","90","","90","","90","","10753.8","0.3","100","2","100","2","","","","","","","","6","I -4 3 d","I -4bd 2c 3","220","ain834","","","- C28 H20 Co4 F12 N4 O12 -","- C28 H20 Co4 F12 N4 O12 -","- C336 H240 Co48 F144 N48 O144 -","12","0.25","","Nguyen, Andy Ich; Wang, Jianing; Levine, Daniel S.; Ziegler, Micah S.; Tilley, T. Don","Synthetic Control and Empirical Prediction of Redox Potentials for Co4O4 Cubanes over a 1.4 V Range: Implications for Catalyst Design and Evaluation of High-Valent Intermediates in Water Oxidation","Chem. Sci.","2017","","","","","10.1039/C7SC00627F","","","0.71073","MoKα","","0.0208","0.0198","","","0.0451","0.0456","","","","","","1.108","","","","has coordinates,has disorder","195271","2020-10-21","18:00:00",""
"1545699","11.6403","0.0003","11.6403","0.0003","17.0402","0.0006","90","","90","","90","","2308.89","0.12","100","2","100","2","","","","","","","","5","P -4 21 c","P -4 2n","114","ain875","","","- C50 H46 Co4 N10 O8 -","- C50 H46 Co4 N10 O8 -","- C100 H92 Co8 N20 O16 -","2","0.25","","Nguyen, Andy Ich; Wang, Jianing; Levine, Daniel S.; Ziegler, Micah S.; Tilley, T. Don","Synthetic Control and Empirical Prediction of Redox Potentials for Co4O4 Cubanes over a 1.4 V Range: Implications for Catalyst Design and Evaluation of High-Valent Intermediates in Water Oxidation","Chem. Sci.","2017","","","","","10.1039/C7SC00627F","","","0.71073","MoKα","","0.0233","0.0219","","","0.0577","0.0585","","","","","","1.094","","","","has coordinates","195271","2020-10-21","18:00:00",""
"1545700","10.785","0.002","32.382","0.006","12.34","0.002","90","","102.579","0.004","90","","4206.2","1.3","100","2","100","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","ain852","","","- C42 H39 Co4 N9 O11 -","- C42 H39 Co4 N9 O11 -","- C168 H156 Co16 N36 O44 -","4","1","","Nguyen, Andy Ich; Wang, Jianing; Levine, Daniel S.; Ziegler, Micah S.; Tilley, T. Don","Synthetic Control and Empirical Prediction of Redox Potentials for Co4O4 Cubanes over a 1.4 V Range: Implications for Catalyst Design and Evaluation of High-Valent Intermediates in Water Oxidation","Chem. Sci.","2017","","","","","10.1039/C7SC00627F","","","0.71073","MoKα","","0.0578","0.0426","","","0.1083","0.118","","","","","","1.053","","","","has coordinates,has disorder","195271","2020-10-21","18:00:00",""
"1545701","19.215","0.0005","17.7981","0.0005","19.7244","0.0006","90","","90","","90","","6745.6","0.3","100","2","100","2","","","","","","","","6","P b c a","-P 2ac 2ab","61","jw116b","","","- C28 H26 Co4 F6 N4 O12 -","- C28 H26 Co4 F6 N4 O12 -","- C224 H208 Co32 F48 N32 O96 -","8","1","","Nguyen, Andy Ich; Wang, Jianing; Levine, Daniel S.; Ziegler, Micah S.; Tilley, T. Don","Synthetic Control and Empirical Prediction of Redox Potentials for Co4O4 Cubanes over a 1.4 V Range: Implications for Catalyst Design and Evaluation of High-Valent Intermediates in Water Oxidation","Chem. Sci.","2017","","","","","10.1039/C7SC00627F","","","0.71073","MoKα","","0.0731","0.0482","","","0.1156","0.1292","","","","","","1.048","","","","has coordinates,has disorder","195271","2020-10-21","18:00:00",""
"1545702","12.5503","0.0008","16.0178","0.0011","24.6472","0.0019","90","","96.307","0.001","90","","4924.8","0.6","100","2","100","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","ain832","","","- C50 H46 Co4 N14 O8 -","- C50 H46 Co4 N14 O8 -","- C200 H184 Co16 N56 O32 -","4","1","","Nguyen, Andy Ich; Wang, Jianing; Levine, Daniel S.; Ziegler, Micah S.; Tilley, T. Don","Synthetic Control and Empirical Prediction of Redox Potentials for Co4O4 Cubanes over a 1.4 V Range: Implications for Catalyst Design and Evaluation of High-Valent Intermediates in Water Oxidation","Chem. Sci.","2017","","","","","10.1039/C7SC00627F","","","0.71073","MoKα","","0.0787","0.0666","","","0.163","0.175","","","","","","1.096","","","","has coordinates,has disorder","195271","2020-10-21","18:00:00",""
"1545703","15.022","0.005","15.858","0.005","19.859","0.005","90","0.005","110","0.005","90","0.005","4445","2","100","2","100","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","ain778b","","","- C31 H34 Cl10 Co4 N4 O12 -","- C31 H34 Cl10 Co4 N4 O12 -","- C124 H136 Cl40 Co16 N16 O48 -","4","1","","Nguyen, Andy Ich; Wang, Jianing; Levine, Daniel S.; Ziegler, Micah S.; Tilley, T. Don","Synthetic Control and Empirical Prediction of Redox Potentials for Co4O4 Cubanes over a 1.4 V Range: Implications for Catalyst Design and Evaluation of High-Valent Intermediates in Water Oxidation","Chem. Sci.","2017","","","","","10.1039/C7SC00627F","","","0.71073","MoKα","","0.0518","0.0399","","","0.0922","0.1009","","","","","","1.035","","","","has coordinates,has disorder","195271","2020-10-21","18:00:00",""
"1545704","13.7564","0.0019","18.978","0.003","19.902","0.003","90","","94.209","0.007","90","","5181.8","1.3","100","2","100","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","ain825","","","- C44 H64 Co4 N12 O12 -","- C44 H64 Co4 N12 O12 -","- C176 H256 Co16 N48 O48 -","4","1","","Nguyen, Andy Ich; Wang, Jianing; Levine, Daniel S.; Ziegler, Micah S.; Tilley, T. Don","Synthetic Control and Empirical Prediction of Redox Potentials for Co4O4 Cubanes over a 1.4 V Range: Implications for Catalyst Design and Evaluation of High-Valent Intermediates in Water Oxidation","Chem. Sci.","2017","","","","","10.1039/C7SC00627F","","","0.71073","MoKα","","0.0737","0.064","","","0.1607","0.1655","","","","","","1.189","","","","has coordinates","195271","2020-10-21","18:00:00",""
"1545705","6.7368","0.0014","8.2186","0.0016","11.478","0.002","109.16","0.03","92.23","0.03","106.25","0.03","570.3","0.3","298","","293","2","","","","","","","","7","P -1","-P 1","2","","","","- C9 H8 B F3 N2 O Te -","- C9 H8 B F3 N2 O Te -","- C18 H16 B2 F6 N4 O2 Te2 -","2","1","","Ho, Peter Cheng-Wei; Jenkins, Hilary A.; Britten, James F.; Vargas-Baca, Ignacio","FDHALO17: Building new discrete supramolecular assemblies through the interaction of iso-tellurazole N-oxides with Lewis acids and bases","Faraday Discuss.","2017","","","","","10.1039/C7FD00075H","","","0.71073","MoKα","","0.0277","0.0243","","","0.0555","0.0567","","","","","","1.054","","","","has coordinates","195277","2020-10-21","18:00:00",""
"1545706","10.117","0.0007","13.3307","0.0009","20.4052","0.0014","90","","99.848","0.002","90","","2711.4","0.3","100","2","100.15","","","","","","","","","8","P 1 21/c 1","-P 2ybc","14","","","","- C25 H20 B F3 N O P Te -","- C25 H20 B F3 N O P Te -","- C100 H80 B4 F12 N4 O4 P4 Te4 -","4","1","","Ho, Peter Cheng-Wei; Jenkins, Hilary A.; Britten, James F.; Vargas-Baca, Ignacio","FDHALO17: Building new discrete supramolecular assemblies through the interaction of iso-tellurazole N-oxides with Lewis acids and bases","Faraday Discuss.","2017","","","","","10.1039/C7FD00075H","","","0.71073","MoKα","","0.0501","0.0339","","","0.0796","0.0838","","","","","","0.964","","","","has coordinates","195277","2020-10-21","18:00:00",""
"1545707","24.5091","0.0015","6.9948","0.0004","21.1123","0.0013","90","","119.654","0.002","90","","3145.4","0.3","100","2","100.15","","","","","","","","","7","C 1 2/c 1","-C 2yc","15","","","","- C15 H13 B F3 N2 O Te -","- C15 H13 B F3 N2 O Te -","- C120 H104 B8 F24 N16 O8 Te8 -","8","1","","Ho, Peter Cheng-Wei; Jenkins, Hilary A.; Britten, James F.; Vargas-Baca, Ignacio","FDHALO17: Building new discrete supramolecular assemblies through the interaction of iso-tellurazole N-oxides with Lewis acids and bases","Faraday Discuss.","2017","","","","","10.1039/C7FD00075H","","","0.71073","MoKα","","0.0266","0.0205","","","0.0511","0.0523","","","","","","1.07","","","","has coordinates","195277","2020-10-21","18:00:00",""
"1545708","8.027","0.0019","7.1053","0.0017","19.994","0.005","90","","95.552","0.004","90","","1135","0.5","99","2","99.15","","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C10 H9 B F3 N O Te -","- C10 H9 B F3 N O Te -","- C40 H36 B4 F12 N4 O4 Te4 -","4","1","","Ho, Peter Cheng-Wei; Jenkins, Hilary A.; Britten, James F.; Vargas-Baca, Ignacio","FDHALO17: Building new discrete supramolecular assemblies through the interaction of iso-tellurazole N-oxides with Lewis acids and bases","Faraday Discuss.","2017","","","","","10.1039/C7FD00075H","","","0.71073","MoKα","","0.0633","0.038","","","0.0841","0.0908","","","","","","1.036","","","","has coordinates","195277","2020-10-21","18:00:00",""
"1545709","10.7711","0.0015","16.584","0.002","19.77","0.003","90","","102.005","0.003","90","","3454.2","0.8","100","2","99.95","","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C34 H41 B F3 N3 O Te -","- C34 H41 B F3 N3 O Te -","- C136 H164 B4 F12 N12 O4 Te4 -","4","1","","Ho, Peter Cheng-Wei; Jenkins, Hilary A.; Britten, James F.; Vargas-Baca, Ignacio","FDHALO17: Building new discrete supramolecular assemblies through the interaction of iso-tellurazole N-oxides with Lewis acids and bases","Faraday Discuss.","2017","","","","","10.1039/C7FD00075H","","","0.71073","MoKα","","0.1176","0.1063","","","0.2678","0.2753","","","","","","1.116","","","","has coordinates","195277","2020-10-21","18:00:00",""
"1545710","10.109","0.002","9.698","0.002","23.678","0.005","90","","101.817","0.004","90","","2272.1","0.8","296","2","296.15","","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C28 H24 B N O Te -","- C28 H24 B N O Te -","- C112 H96 B4 N4 O4 Te4 -","4","1","","Ho, Peter Cheng-Wei; Jenkins, Hilary A.; Britten, James F.; Vargas-Baca, Ignacio","FDHALO17: Building new discrete supramolecular assemblies through the interaction of iso-tellurazole N-oxides with Lewis acids and bases","Faraday Discuss.","2017","","","","","10.1039/C7FD00075H","","","0.71073","MoKα","","0.0435","0.0299","","","0.0609","0.0655","","","","","","1.035","","","","has coordinates","195277","2020-10-21","18:00:00",""
"1545711","12.2007","0.0006","20.9116","0.001","17.3413","0.0008","90","","107.773","0.001","90","","4213.2","0.3","296","2","296.15","","","","","","","","","7","P 1 n 1","P -2yac","7","","","","- C88 H108 B2 F6 N6 O3 Te2 -","- C88 H108 B2 F6 N6 O3 Te2 -","- C176 H216 B4 F12 N12 O6 Te4 -","2","1","","Ho, Peter Cheng-Wei; Jenkins, Hilary A.; Britten, James F.; Vargas-Baca, Ignacio","FDHALO17: Building new discrete supramolecular assemblies through the interaction of iso-tellurazole N-oxides with Lewis acids and bases","Faraday Discuss.","2017","","","","","10.1039/C7FD00075H","","","0.71073","MoKα","","0.0317","0.0283","","","0.0652","0.067","","","","","","1.016","","","","has coordinates","214153","2020-10-21","18:00:00",""
"1545712","10.2886","0.0002","15.0565","0.0003","14.7817","0.0003","90","","91.156","0.001","90","","2289.37","0.08","296","2","296.15","","","","","","","","","8","P 1 21 1","P 2yb","4","","","","- C18 H20 B Cl3 F3 N3 O Te -","- C18 H20 B Cl3 F3 N3 O Te -","- C72 H80 B4 Cl12 F12 N12 O4 Te4 -","4","2","","Ho, Peter Cheng-Wei; Jenkins, Hilary A.; Britten, James F.; Vargas-Baca, Ignacio","FDHALO17: Building new discrete supramolecular assemblies through the interaction of iso-tellurazole N-oxides with Lewis acids and bases","Faraday Discuss.","2017","","","","","10.1039/C7FD00075H","","","0.71073","MoKα","","0.0258","0.0245","","","0.0597","0.0605","","","","","","1.028","","","","has coordinates","195277","2020-10-21","18:00:00",""
"1545713","7.2898","0.0008","13.3035","0.0013","11.561","0.0012","90","","104.61","0.002","90","","1084.9","0.2","296","2","296.15","","","","","","","","","7","P 1 21 1","P 2yb","4","","","","- C20 H18 B F3 N2 O2 Te2 -","- C20 H18 B F3 N2 O2 Te2 -","- C40 H36 B2 F6 N4 O4 Te4 -","2","1","","Ho, Peter Cheng-Wei; Jenkins, Hilary A.; Britten, James F.; Vargas-Baca, Ignacio","FDHALO17: Building new discrete supramolecular assemblies through the interaction of iso-tellurazole N-oxides with Lewis acids and bases","Faraday Discuss.","2017","","","","","10.1039/C7FD00075H","","","0.71073","MoKα","","0.0439","0.0335","","","0.0561","0.0583","","","","","","0.967","","","","has coordinates","214153","2020-10-21","18:00:00",""
"1545714","5.2322","0.0003","10.0668","0.0005","10.7671","0.0005","90","","102.13","0.001","90","","554.46","0.05","173","2","173","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C12 H12 N2 O S -","- C12 H12 N2 O S -","- C24 H24 N4 O2 S2 -","2","1","","Tan, Wei; Wei, Jianpeng; Jiang, Xuefeng","Thiocarbonyl Surrogate via Combination of Sulfur and Chloroform for Thiocarbamide and Oxazolidinethione Construction.","Organic letters","2017","19","8","2166","2169","10.1021/acs.orglett.7b00819","","","0.71073","MoKα","","0.0233","0.023","","","0.0611","0.0615","","","","","","1.052","","","","has coordinates","196173","2020-10-21","18:00:00",""
"1545715","12.90227","0.00009","12.90227","0.00009","12.90227","0.00009","90","","90","","90","","2147.82","0.03","","","","","","","","","","","","5","I a -3 d","-I 4bd 2c 3","230","Li6.5La3Sn1.5Ta0.5O12","","","- La3 Li6.5 O12 Sn1.5 Ta0.5 -","- La3 Li6.48 O12 Sn1.5 Ta0.5 -","- La24 Li51.84 O96 Sn12 Ta4 -","8","0.0833333","","Hamao, N.; Kataoka, K.; Akimoto, J.","Li-ion conductivity and crystal structure of garnet-type Li6.5La3M1.5Ta0.5O12 (M=Hf,Sn) oxides","Journal of the Ceramic Society of Japan","2017","125","","272","275","","","","","","","","","","","","","","","","","","","","","","has coordinates","195301","2020-10-21","18:00:00",""
"1545716","12.93341","0.00009","12.93341","0.00009","12.93341","0.00009","90","","90","","90","","2163.41","0.03","","","","","","","","","","","","5","I a -3 d","-I 4bd 2c 3","230","Li6.5La3Hf1.5Ta0.5O12","","","- Hf1.5 La3 Li6.5 O12 Ta0.5 -","- Hf1.5 La3 Li6.45 O12 Ta0.5 -","- Hf12 La24 Li51.6 O96 Ta4 -","8","0.0833333","","Hamao, N.; Kataoka, K.; Akimoto, J.","Li-ion conductivity and crystal structure of garnet-type Li6.5La3M1.5Ta0.5O12 (M=Hf,Sn) oxides","Journal of the Ceramic Society of Japan","2017","125","","272","275","","","","","","","","","","","","","","","","","","","","","","has coordinates","195302","2020-10-21","18:00:00",""
"1545717","6.2323","0.0002","9.6926","0.0003","29.7861","0.0008","90","","90","","90","","1799.29","0.09","296","1","296","1","","","","","","","","7","P 21 21 21","P 2ac 2ab","19","","","","- C17 H15 Cl F3 N O2 S -","- C17 H15 Cl F3 N O2 S -","- C68 H60 Cl4 F12 N4 O8 S4 -","4","1","","Han, Hong Sik; Lee, Young Jin; Jung, Young-Sik; Han, Soo Bong","Stereoselective Photoredox-Catalyzed Chlorotrifluoromethylation of Alkynes: Synthesis of Tetrasubstituted Alkenes.","Organic letters","2017","19","8","1962","1965","10.1021/acs.orglett.7b00470","","","0.71073","MoKα","","0.0614","0.0533","","","0.1339","0.1404","","","","","","1.077","","","","has coordinates","196171","2020-10-21","18:00:00",""
"1545718","12.199","0.0011","16.5906","0.0015","14.486","0.0014","90","","90.586","0.005","90","","2931.6","0.5","293","2","293.15","","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C15 H17 N O4 -","- C14.5 H17 N1.5 O4 -","- C116 H136 N12 O32 -","8","2","","Yousuf, Md; Adhikari, Susanta","One-Pot Synthesis of 3-Substituted 2-Arylpyrrole in Aqueous Media via Addition-Annulation of Arylboronic Acid and Substituted Aliphatic Nitriles.","Organic letters","2017","19","9","2214","2217","10.1021/acs.orglett.7b00490","","","0.71073","MoKα","","0.204","0.136","","","0.3219","0.395","","","","","","1.353","","","","has coordinates","214153","2020-10-21","18:00:00",""
"1545719","8.759","0.004","15.074","0.007","21.337","0.01","90","","90","","90","","2817","2","296","2","296","2","","","","","","","","3","P b c a","-P 2ac 2ab","61","","","","- C19 H12 N2 -","- C19 H12 N2 -","- C152 H96 N16 -","8","1","","Yousuf, Md; Adhikari, Susanta","One-Pot Synthesis of 3-Substituted 2-Arylpyrrole in Aqueous Media via Addition-Annulation of Arylboronic Acid and Substituted Aliphatic Nitriles.","Organic letters","2017","19","9","2214","2217","10.1021/acs.orglett.7b00490","","","0.71073","MoKα","","0.0962","0.0508","","","0.1392","0.1809","","","","","","0.984","","","","has coordinates","197494","2020-10-21","18:00:00",""
"1545720","14.117","0.0009","8.1361","0.0004","22.5808","0.0014","90","","94.591","0.006","90","","2585.2","0.3","100","2","100","2","","","","","","","","3","P 1 2/n 1","-P 2yac","13","","","","- C31 H24 O8 -","- C30 H20 O7 -","- C120 H80 O28 -","4","1","","Zhang, Ai Hua; Liu, Wen; Jiang, Nan; Wang, Xin Lei; Wang, Gang; Xu, Qiang; Tan, Ren Xiang","Sequestration of Guest Intermediates by Dalesconol Bioassembly Lines in Daldinia eschscholzii.","Organic letters","2017","19","8","2142","2145","10.1021/acs.orglett.7b00786","","","0.71073","MoKα","","0.1026","0.0639","","","0.1693","0.1918","","","","","","1.084","","","","has coordinates","196179","2020-10-21","18:00:00",""
"1545721","8.3894","0.0004","14.6187","0.0008","10.2645","0.0004","90","","97.613","0.004","90","","1247.76","0.1","100","2","100","2","","","","","","","","3","P 1 21 1","P 2yb","4","","","","- C31 H26 O10 -","- C31 H26 O10 -","- C62 H52 O20 -","2","1","","Zhang, Ai Hua; Liu, Wen; Jiang, Nan; Wang, Xin Lei; Wang, Gang; Xu, Qiang; Tan, Ren Xiang","Sequestration of Guest Intermediates by Dalesconol Bioassembly Lines in Daldinia eschscholzii.","Organic letters","2017","19","8","2142","2145","10.1021/acs.orglett.7b00786","","","1.54184","CuKα","","0.0442","0.0371","","","0.0917","0.0976","","","","","","1.033","","","","has coordinates","196179","2020-10-21","18:00:00",""
"1545722","7.3385","0.0002","11.972","0.0003","13.1171","0.0003","91.166","0.001","101.43","0.001","96.569","0.001","1121.06","0.05","296","2","296","2","","","","","","","","3","P -1","-P 1","2","","","","- C30 H20 O7 -","- C30 H20 O7 -","- C60 H40 O14 -","2","1","","Zhang, Ai Hua; Liu, Wen; Jiang, Nan; Wang, Xin Lei; Wang, Gang; Xu, Qiang; Tan, Ren Xiang","Sequestration of Guest Intermediates by Dalesconol Bioassembly Lines in Daldinia eschscholzii.","Organic letters","2017","19","8","2142","2145","10.1021/acs.orglett.7b00786","","","1.54178","CuKα","","0.0584","0.053","","","0.1567","0.1633","","","","","","1.054","","","","has coordinates","196179","2020-10-21","18:00:00",""
"1545723","8.8331","0.0014","8.9989","0.0016","14.46","0.002","90","","95.546","0.005","90","","1144","0.3","103","2","103","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C14 H8 S Te -","- C14 H8 S Te -","- C56 H32 S4 Te4 -","4","1","","Wu, Bin; none, Melvina; Wu, Xiangyang; Yeow, Edwin; Yoshikai, Naohiko","Versatile Telluracycle Synthesis via Sequential Electrophilic Telluration of C(sp2)‒Zn and C(sp2)‒H Bonds","Chem. Sci.","2017","","","","","10.1039/C7SC01162H","","","0.71073","MoKα","","0.0965","0.0852","","","0.1814","0.1864","","","","","","1.303","","","","has coordinates,has disorder","195323","2020-10-21","18:00:00",""
"1545724","9.6238","0.0013","4.2326","0.0006","13.66","0.002","90","","98.795","0.005","90","","549.88","0.13","103","2","103","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C14 H8 S Te -","- C14 H8 S Te -","- C28 H16 S2 Te2 -","2","1","","Wu, Bin; none, Melvina; Wu, Xiangyang; Yeow, Edwin; Yoshikai, Naohiko","Versatile Telluracycle Synthesis via Sequential Electrophilic Telluration of C(sp2)‒Zn and C(sp2)‒H Bonds","Chem. Sci.","2017","","","","","10.1039/C7SC01162H","","","0.71073","MoKα","","0.0385","0.0325","","","0.0669","0.0692","","","","","","1.058","","","","has coordinates,has disorder","195323","2020-10-21","18:00:00",""
"1545725","17.6341","0.0018","5.3422","0.0006","21.002","0.002","90","","90.578","0.002","90","","1978.4","0.4","103","2","103","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C25 H22 O2 Te -","- C25 H22 O2 Te -","- C100 H88 O8 Te4 -","4","1","","Wu, Bin; none, Melvina; Wu, Xiangyang; Yeow, Edwin; Yoshikai, Naohiko","Versatile Telluracycle Synthesis via Sequential Electrophilic Telluration of C(sp2)‒Zn and C(sp2)‒H Bonds","Chem. Sci.","2017","","","","","10.1039/C7SC01162H","","","0.71073","MoKα","","0.0795","0.0431","","","0.082","0.0943","","","","","","1.031","","","","has coordinates,has disorder","195323","2020-10-21","18:00:00",""
"1545726","8.9474","0.0003","8.9474","0.0003","41.253","0.004","90","","90","","90","","3302.5","0.4","100","2","100","2","","","","","","","","4","P 41 21 2","P 4abw 2nw","92","","","","- C34 H58 Fe2 N2 -","- C34 H58 Fe2 N2 -","- C136 H232 Fe8 N8 -","4","0.5","","Reiners, Matthias; Maekawa, Miyuki; Daniliuc, Constantin G.; Freytag, Matthias; Jones, Peter G.; White, Peter S.; Hohenberger, Johannes; Sutter, Jörg; Meyer, Karsten; Maron, Laurent; Walter, Marc D.","Reactivity studies on [Cp′Fe(μ-I)]2: nitrido-, sulfido- and diselenide iron complexes derived from pseudohalide activation","Chem. Sci.","2017","","","","","10.1039/C7SC00570A","","","0.71073","MoKα","","0.0399","0.0328","","","0.0616","0.0636","","","","","","1.062","","","","has coordinates","195335","2020-10-21","18:00:00",""
"1545727","10.0731","0.0003","12.2254","0.0003","16.563","0.0005","80.822","0.003","77.884","0.003","66.822","0.003","1826.58","0.1","100","2","100","2","","","","","","","","4","P -1","-P 1","2","","","","- C34 H58 Fe2 S4 -","- C34 H58 Fe2 S4 -","- C68 H116 Fe4 S8 -","2","1","","Reiners, Matthias; Maekawa, Miyuki; Daniliuc, Constantin G.; Freytag, Matthias; Jones, Peter G.; White, Peter S.; Hohenberger, Johannes; Sutter, Jörg; Meyer, Karsten; Maron, Laurent; Walter, Marc D.","Reactivity studies on [Cp′Fe(μ-I)]2: nitrido-, sulfido- and diselenide iron complexes derived from pseudohalide activation","Chem. Sci.","2017","","","","","10.1039/C7SC00570A","","","0.71073","MoKα","","0.0497","0.0373","","","0.0862","0.0925","","","","","","1.042","","","","has coordinates,has disorder","195335","2020-10-21","18:00:00",""
"1545728","11.8548","0.0002","10.3648","0.0002","28.0527","0.0004","90","","91.796","0.002","90","","3445.22","0.1","130","2","130","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C34 H58 Fe2 S2 -","- C34 H58 Fe2 S2 -","- C136 H232 Fe8 S8 -","4","1","","Reiners, Matthias; Maekawa, Miyuki; Daniliuc, Constantin G.; Freytag, Matthias; Jones, Peter G.; White, Peter S.; Hohenberger, Johannes; Sutter, Jörg; Meyer, Karsten; Maron, Laurent; Walter, Marc D.","Reactivity studies on [Cp′Fe(μ-I)]2: nitrido-, sulfido- and diselenide iron complexes derived from pseudohalide activation","Chem. Sci.","2017","","","","","10.1039/C7SC00570A","","","1.54184","CuKα","","0.0427","0.0407","","","0.0977","0.099","","","","","","1.114","","","","has coordinates,has disorder","195335","2020-10-21","18:00:00",""
"1545729","13.0954","0.0004","18.8412","0.0006","15.8088","0.0006","90","","107.643","0.004","90","","3717.1","0.2","100","2","100","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C34 H58 Fe2 Se4 -","- C34 H58 Fe2 Se4 -","- C136 H232 Fe8 Se16 -","4","1","","Reiners, Matthias; Maekawa, Miyuki; Daniliuc, Constantin G.; Freytag, Matthias; Jones, Peter G.; White, Peter S.; Hohenberger, Johannes; Sutter, Jörg; Meyer, Karsten; Maron, Laurent; Walter, Marc D.","Reactivity studies on [Cp′Fe(μ-I)]2: nitrido-, sulfido- and diselenide iron complexes derived from pseudohalide activation","Chem. Sci.","2017","","","","","10.1039/C7SC00570A","","","0.71073","MoKα","","0.0547","0.0356","","","0.0683","0.0742","","","","","","1.038","","","","has coordinates","195335","2020-10-21","18:00:00",""
"1545730","10.3424","0.0004","9.2633","0.0002","18.3885","0.0006","90","","91.346","0.002","90","","1761.22","0.1","100","2","100","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C36 H58 Fe2 N2 O2 -","- C36 H58 Fe2 N2 O2 -","- C72 H116 Fe4 N4 O4 -","2","0.5","","Reiners, Matthias; Maekawa, Miyuki; Daniliuc, Constantin G.; Freytag, Matthias; Jones, Peter G.; White, Peter S.; Hohenberger, Johannes; Sutter, Jörg; Meyer, Karsten; Maron, Laurent; Walter, Marc D.","Reactivity studies on [Cp′Fe(μ-I)]2: nitrido-, sulfido- and diselenide iron complexes derived from pseudohalide activation","Chem. Sci.","2017","","","","","10.1039/C7SC00570A","","","1.54184","CuKα","","0.0302","0.0269","","","0.0692","0.0702","","","","","","1.078","","","","has coordinates","195335","2020-10-21","18:00:00",""
"1545731","11.35137","0.0001","23.7261","0.0002","13.9429","0.0002","90","","93.494","0.002","90","","3748.17","0.07","100","2","100","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C44 H56 Fe N4 -","- C44 H56 Fe N4 -","- C176 H224 Fe4 N16 -","4","1","","Reiners, Matthias; Maekawa, Miyuki; Daniliuc, Constantin G.; Freytag, Matthias; Jones, Peter G.; White, Peter S.; Hohenberger, Johannes; Sutter, Jörg; Meyer, Karsten; Maron, Laurent; Walter, Marc D.","Reactivity studies on [Cp′Fe(μ-I)]2: nitrido-, sulfido- and diselenide iron complexes derived from pseudohalide activation","Chem. Sci.","2017","","","","","10.1039/C7SC00570A","","","1.54184","CuKα","","0.0327","0.031","","","0.0749","0.0759","","","","","","1.027","","","","has coordinates","195335","2020-10-21","18:00:00",""
"1545732","9.8125","0.0008","11.9887","0.001","14.0481","0.0012","95.729","0.004","90.97","0.004","97.25","0.003","1630.5","0.2","100","2","100","2","","","","","","","","6","P -1","-P 1","2","","","","- C35 H44 Fe I O P -","- C35 H44 Fe I O P -","- C70 H88 Fe2 I2 O2 P2 -","2","1","","Reiners, Matthias; Maekawa, Miyuki; Daniliuc, Constantin G.; Freytag, Matthias; Jones, Peter G.; White, Peter S.; Hohenberger, Johannes; Sutter, Jörg; Meyer, Karsten; Maron, Laurent; Walter, Marc D.","Reactivity studies on [Cp′Fe(μ-I)]2: nitrido-, sulfido- and diselenide iron complexes derived from pseudohalide activation","Chem. Sci.","2017","","","","","10.1039/C7SC00570A","","","1.54178","CuKα","","0.0255","0.0246","","","0.0593","0.0598","","","","","","1.085","","","","has coordinates","195335","2020-10-21","18:00:00",""
"1545733","15.0303","0.0003","10.4122","0.0002","12.7073","0.0003","90","","90","","90","","1988.67","0.07","100","2","100","2","","","","","","","","5","P c a 21","P 2c -2ac","29","","","","- C20 H29 Fe N O3 -","- C20 H29 Fe N O3 -","- C80 H116 Fe4 N4 O12 -","4","1","","Reiners, Matthias; Maekawa, Miyuki; Daniliuc, Constantin G.; Freytag, Matthias; Jones, Peter G.; White, Peter S.; Hohenberger, Johannes; Sutter, Jörg; Meyer, Karsten; Maron, Laurent; Walter, Marc D.","Reactivity studies on [Cp′Fe(μ-I)]2: nitrido-, sulfido- and diselenide iron complexes derived from pseudohalide activation","Chem. Sci.","2017","","","","","10.1039/C7SC00570A","","","1.54184","CuKα","","0.0376","0.0343","","","0.0806","0.0825","","","","","","1.034","","","","has coordinates","195335","2020-10-21","18:00:00",""
"1545734","10.7445","0.0008","11.3344","0.0008","15.2795","0.0009","109.628","0.006","90.508","0.006","109.886","0.007","1632.1","0.2","100","2","100","2","","","","","","","","6","P -1","-P 1","2","","","","- C36 H44 Fe N O2 P -","- C36 H44 Fe N O2 P -","- C72 H88 Fe2 N2 O4 P2 -","2","1","","Reiners, Matthias; Maekawa, Miyuki; Daniliuc, Constantin G.; Freytag, Matthias; Jones, Peter G.; White, Peter S.; Hohenberger, Johannes; Sutter, Jörg; Meyer, Karsten; Maron, Laurent; Walter, Marc D.","Reactivity studies on [Cp′Fe(μ-I)]2: nitrido-, sulfido- and diselenide iron complexes derived from pseudohalide activation","Chem. Sci.","2017","","","","","10.1039/C7SC00570A","","","1.54184","CuKα","","0.0453","0.042","","","0.0995","0.1013","","","","","","1.067","","","","has coordinates","195335","2020-10-21","18:00:00",""
"1545735","11.0245","0.0007","12.0149","0.0007","14.7311","0.0008","93.174","0.005","91.734","0.005","113.619","0.006","1782.1","0.2","100","2","100","2","","","","","","","","4","P -1","-P 1","2","","","","- C38 H58 Fe2 O4 -","- C38 H58 Fe2 O4 -","- C76 H116 Fe4 O8 -","2","1","","Reiners, Matthias; Maekawa, Miyuki; Daniliuc, Constantin G.; Freytag, Matthias; Jones, Peter G.; White, Peter S.; Hohenberger, Johannes; Sutter, Jörg; Meyer, Karsten; Maron, Laurent; Walter, Marc D.","Reactivity studies on [Cp′Fe(μ-I)]2: nitrido-, sulfido- and diselenide iron complexes derived from pseudohalide activation","Chem. Sci.","2017","","","","","10.1039/C7SC00570A","","","1.54184","CuKα","","0.0353","0.0329","","","0.0856","0.0873","","","","","","1.054","","","","has coordinates","195335","2020-10-21","18:00:00",""
"1545736","12.5204","0.0006","13.0808","0.0007","16.5376","0.0008","77.1659","0.0011","87.1605","0.001","84.1531","0.0011","2626.1","0.2","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","","","- C59 H76 Fe3 N6 O2 -","- C59 H75.96 Fe3 N6 O2.04 -","- C118 H151.92 Fe6 N12 O4.08 -","2","1","","Anderton, Kevin J.; Knight, Brian J.; Rheingold, Arnold L.; Abboud, Khalil A.; García-Serres, Ricardo; Murray, Leslie J.","Reactivity of hydride bridges in a high-spin [Fe3(μ-H)3]3+ cluster: reversible H2/CO exchange and Fe‒H/B‒F bond metathesis","Chem. Sci.","2017","","","","","10.1039/C6SC05583D","","","0.71073","MoKα","","0.0404","0.0304","","","0.082","0.0882","","","","","","1.085","","","","has coordinates,has disorder","195336","2020-10-21","18:00:00",""
"1545737","20.7273","0.0014","11.4948","0.0008","21.957","0.002","90","","112.429","0.003","90","","4835.7","0.7","100","","100","","","","","","","","","5","C 1 c 1","C -2yc","9","","","","- C45 H63 F3 Fe3 N6 -","- C45 H63 F3 Fe3 N6 -","- C180 H252 F12 Fe12 N24 -","4","1","","Anderton, Kevin J.; Knight, Brian J.; Rheingold, Arnold L.; Abboud, Khalil A.; García-Serres, Ricardo; Murray, Leslie J.","Reactivity of hydride bridges in a high-spin [Fe3(μ-H)3]3+ cluster: reversible H2/CO exchange and Fe‒H/B‒F bond metathesis","Chem. Sci.","2017","","","","","10.1039/C6SC05583D","","x-ray","0.71073","MoKα","","0.0421","0.0356","","","0.0899","0.0932","","","","","","1.012","","","","has coordinates","195336","2020-10-21","18:00:00",""
"1545738","9.68785","0.00012","6.62844","0.00009","15.2024","0.0002","90","","103.889","0.0013","90","","947.69","0.02","100","0.2","100","0.2","","","","","","","","3","P 1 21 1","P 2yb","4","","","","- C21 H22 O7 -","- C21 H22 O7 -","- C42 H44 O14 -","2","1","","Hong, Min Jee; Kim, Jinwoong","Determination of the Absolute Configuration of Khellactone Esters from Peucedanum japonicum Roots.","Journal of natural products","2017","80","5","1354","1360","10.1021/acs.jnatprod.6b00947","","x-ray","1.54184","CuKα","","0.0287","0.0276","","","0.0705","0.0715","","","","","","1.062","","","","has coordinates","197452","2020-10-21","18:00:00",""
"1545739","6.8548","0.0005","7.4136","0.0009","30.569","0.003","90","","90","","90","","1553.5","0.3","289.63","0.1","289.63","0.1","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C18 H21 N O3 -","- C18 H21 N O3 -","- C72 H84 N4 O12 -","4","1","","Jia, Zhi-Long; Wang, Yao; Zhao, Chuan-Gang; Zhang, Xiao-Hai; Xu, Peng-Fei","Highly Enantioselective Construction of Hajos-Wiechert Ketone Skeletons via an Organocatalytic Vinylogous Michael/Stetter Relay Sequence.","Organic letters","2017","19","8","2130","2133","10.1021/acs.orglett.7b00767","","","0.7107","MoKα","","0.0784","0.0542","","","0.1062","0.1231","","","","","","1.097","","","","has coordinates","196172","2020-10-21","18:00:00",""
"1545740","10.406","0.002","7.8092","0.0014","26.717","0.005","90","","92.9","0.02","90","","2168.3","0.7","103","2","103","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C40 H43 F8 I3 N8 -","- C40 H43 F8 I3 N8 -","- C80 H86 F16 I6 N16 -","2","1","","Saccone, Marco; Fernandez Palacio, Francisco; Cavallo, Gabriella; Dichiarante, Valentina; Virkki, Matti; Terraneo, Giancarlo; Priimagi, Arri; Metrangolo, Pierangelo","FDHALO17: Photoresponsive ionic liquid crystals assembled via halogen bond: en route towards light‐controllable ion transporters","Faraday Discuss.","2017","","","","","10.1039/C7FD00120G","","","0.71073","MoKα","","0.0236","0.0204","","","0.0439","0.0449","","","","","","1.017","","","","has coordinates","195409","2020-10-21","18:00:00",""
"1545741","14.9747","0.0015","18.898","0.002","25.034","0.003","87.618","0.012","76.317","0.01","76.576","0.01","6694.6","1.3","103","2","103","2","","","","","","","","6","P -1","-P 1","2","","","","- C64 H89 F8 I3 N6 O2 -","- C64 H89 F8 I3 N6 O2 -","- C256 H356 F32 I12 N24 O8 -","4","2","","Saccone, Marco; Fernandez Palacio, Francisco; Cavallo, Gabriella; Dichiarante, Valentina; Virkki, Matti; Terraneo, Giancarlo; Priimagi, Arri; Metrangolo, Pierangelo","FDHALO17: Photoresponsive ionic liquid crystals assembled via halogen bond: en route towards light‐controllable ion transporters","Faraday Discuss.","2017","","","","","10.1039/C7FD00120G","","","0.71073","MoKα","","0.0836","0.0374","","","0.0729","0.0903","","","","","","1.017","","","","has coordinates","195409","2020-10-21","18:00:00",""
"1545742","42.8927","0.0012","42.8927","0.0012","56.6605","0.0017","90","","90","","120","","90277","4","100","2","100.02","","","","","","","","","5","R 3 2 :H","R 3 2""","155","","","","- C96 H172 Cl K4 O86 -","- C96 H172 Cl K4 O86 -","- C1728 H3096 Cl18 K72 O1548 -","18","1","","Hartlieb, Karel J.; Ferris, Daniel P.; Holcroft, James M.; Kandela, Irawati; Stern, Charlotte L.; Nassar, Majed S.; Botros, Youssry Y.; Stoddart, J. Fraser","Encapsulation of Ibuprofen in CD-MOF and Related Bioavailability Studies.","Molecular pharmaceutics","2017","14","5","1831","1839","10.1021/acs.molpharmaceut.7b00168","","","1.54178","CuKα","","0.1","0.0928","","","0.2544","0.271","","","","","","1.223","","","","has coordinates,has disorder","204139","2020-10-21","18:00:00",""
"1545743","9.4624","0.0007","9.9524","0.0007","16.0483","0.0011","90","","102.418","0.007","90","","1475.97","0.19","173.6","0.3","173.6","0.3","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C21 H15 N -","- C21 H15 N -","- C84 H60 N4 -","4","1","","Kuai, Changsheng; Wang, Lianhui; Li, Bobin; Yang, Zhenhui; Cui, Xiuling","Cobalt-Catalyzed Selective Synthesis of Isoquinolines Using Picolinamide as a Traceless Directing Group.","Organic letters","2017","19","8","2102","2105","10.1021/acs.orglett.7b00702","","","0.71073","MoKα","","0.0642","0.0479","","","0.108","0.1202","","","","","","1.03","","","","has coordinates","196170","2020-10-21","18:00:00",""
"1545744","16.2146","0.001","22.561","0.0014","9.2044","0.0006","90","","90","","90","","3367.1","0.4","296","2","296","2","","","","","","","","6","P 21 21 2","P 2 2ab","18","","","","- C33 H26 Cl5 D N3 O3 -","- C33 H26 Cl5 N3 O3 -","- C132 H104 Cl20 N12 O12 -","4","1","","Li, Nai-Kai; Zhang, Jun-Qi; Sun, Bing-Bing; Li, Hai-Yan; Wang, Xing-Wang","Chiral Diphosphine-Palladium-Catalyzed Sequential Asymmetric Double-Friedel-Crafts Alkylation and N-Hemiketalization for Spiro-polycyclic Indole Derivatives.","Organic letters","2017","19","8","1954","1957","10.1021/acs.orglett.7b00368","","","0.71073","MoKα","","0.1666","0.0981","","","0.2699","0.3119","","","","","","1.043","","","","has coordinates,has disorder","196175","2020-10-21","18:00:00",""
"1545745","15.6695","0.0007","5.5971","0.0003","39.2584","0.0019","90","","90","","90","","3443.1","0.3","296","2","296","2","","","","","","","","5","P c a 21","P 2c -2ac","29","","","","- C20 H19 N O2 S -","- C20 H19 N O2 S -","- C160 H152 N8 O16 S8 -","8","2","","Maiti, Saikat; Achar, Tapas Kumar; Mal, Prasenjit","An Organic Intermolecular Dehydrogenative Annulation Reaction.","Organic letters","2017","19","8","2006","2009","10.1021/acs.orglett.7b00562","","","0.71073","MoKα","","0.1255","0.068","","","0.1815","0.2245","","","","","","1.002","","","","has coordinates","214153","2020-10-21","18:00:00",""
"1545746","10.752","0.002","12.403","0.002","14.821","0.002","103.152","0.009","108.554","0.009","99.041","0.009","1767.3","0.5","100","","100","","","","","","","","","6","P -1","-P 1","2","","","","- C19 H13 Br N2 O5 S -","- C19 H13 Br N2 O5 S -","- C76 H52 Br4 N8 O20 S4 -","4","2","","Maiti, Saikat; Achar, Tapas Kumar; Mal, Prasenjit","An Organic Intermolecular Dehydrogenative Annulation Reaction.","Organic letters","2017","19","8","2006","2009","10.1021/acs.orglett.7b00562","","","0.71073","MoKα","","0.0882","0.048","","","0.102","0.1236","","","","","","1.049","","","","has coordinates","196178","2020-10-21","18:00:00",""
"1545747","3.927","0.0001","16.2999","0.0006","19.0048","0.0006","90","","90","","90","","1216.49","0.07","100","","100","","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C15 H12 Br N O2 -","- C15 H12 Br N O2 -","- C60 H48 Br4 N4 O8 -","4","1","","Maiti, Saikat; Achar, Tapas Kumar; Mal, Prasenjit","An Organic Intermolecular Dehydrogenative Annulation Reaction.","Organic letters","2017","19","8","2006","2009","10.1021/acs.orglett.7b00562","","","0.71073","MoKα","","0.0403","0.0289","","","0.0629","0.0822","","","","","","1.065","","","","has coordinates","196178","2020-10-21","18:00:00",""
"1545748","15.2965","0.0008","29.0416","0.0011","42.143","0.004","90","","94.486","0.007","90","","18664","2","95","2","95","2","","","","","","","","2","I 1 2 1","I 2y","5","","","","- C220 H150 -","- C220 H150 -","- C880 H600 -","4","1","","Ikemoto, Koki; Kobayashi, Ryo; Sato, Sota; Isobe, Hiroyuki","Entropy-Driven Ball-in-Bowl Assembly of Fullerene and Geodesic Phenylene Bowl","Organic Letters","2017","","","","","10.1021/acs.orglett.7b00899","","","0.9","synchrotron","","0.1422","0.0889","","","0.2313","0.2666","","","","","","1.225","","","","has coordinates,has disorder","195457","2020-10-21","18:00:00",""
"1545749","11.732","0.004","15.204","0.005","15.864","0.005","90","","90","","90","","2829.7","1.6","113","2","113","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C29 H39 N O9 -","- C29 H39 N O9 -","- C116 H156 N4 O36 -","4","1","","Ma, Guo-Zhen; Li, Peng-Fei; Liu, Lu; Li, Wei-Dong Z; Chen, Li","Diastereoselective Synthesis of Cephalotaxus Esters via Asymmetric Mukaiyama Aldol Reaction.","Organic letters","2017","19","9","2250","2253","10.1021/acs.orglett.7b00743","","","0.7107","MoKα","","0.0932","0.0832","","","0.1737","0.1787","","","","","","1.213","","","","has coordinates","197487","2020-10-21","18:00:00",""
"1545750","14.9225","0.0002","13.0558","0.0002","30.1455","0.0005","90","","97.7219","0.0016","90","","5819.84","0.15","173.15","","173.15","","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","Phosphazene","","- C48 H54 N3 O24 P3 S6 -","- C48 H54 N3 O24 P3 S6 -","- C192 H216 N12 O96 P12 S24 -","4","1","","Celebi, Elif Busra; Hacıvelioğlu, Ferda","Preparation of Sulfonic Acid Functional Proton Conducting Phosphazenes by Covalent Protection","Polym. Chem.","2017","","","","","10.1039/C7PY00189D","","x-ray","0.71075","MoKα","","0.0654","0.0563","","","0.1467","0.1541","","","","","","1.009","","","","has coordinates,has disorder","195483","2020-10-21","18:00:00",""
"1545751","25.3293","0.0007","20.1695","0.0005","23.6895","0.0006","90","","90","","90","","12102.5","0.5","150","2","150","2","","","","","","","","4","P b a 2","P 2 -2ab","32","","","","- C67 H80 N2 O10 -","- C67 H80 N2 O10 -","- C536 H640 N16 O80 -","8","2","","li, zhengtao; Xing, Hao; Shi, Bingbing","Two novel supramolecular metallogels constructed by platinum(II) coordination and pillar[5]arene-based host‒guest interactions","Polym. Chem.","2017","","","","","10.1039/C7PY00280G","","","0.71073","MoKα","","0.1727","0.0889","","","0.2365","0.3001","","","","","","1.015","","","","has coordinates","195484","2020-10-21","18:00:00",""
"1545754","8.6396","0.0003","16.1754","0.0006","10.6697","0.0004","90","","107.772","0.0013","90","","1419.92","0.09","100","2","100","2","","","","","","","","3","P 1 21 1","P 2yb","4","","","","- C30 H42 O8 -","- C30 H42 O8 -","- C60 H84 O16 -","2","1","","Zhao, Shou; Abu-Omar, Mahdi M.","Renewable Thermoplastics Based on Lignin-Derived Polyphenols","Macromolecules","2017","","","","","10.1021/acs.macromol.7b00064","","","0.71073","MoKα","","0.0451","0.0391","","","0.0796","0.082","","","","","","1.142","","","","has coordinates","195520","2020-10-21","18:00:00",""
"1545755","23.507","0.003","6.5815","0.0006","25.139","0.003","90","","104.31","0.004","90","","3768.6","0.7","200","2","200","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C22 H16 N4 O3 -","- C22 H16 N4 O3 -","- C176 H128 N32 O24 -","8","2","","Laugeois, Maxime; Ling, Johanne; Férard, Charlène; Michelet, Véronique; Ratovelomanana-Vidal, Virginie; Vitale, Maxime R.","Palladium(0)-Catalyzed Dearomative [3 + 2] Cycloaddition of 3-Nitroindoles with Vinylcyclopropanes: An Entry to Stereodefined 2,3-Fused Cyclopentannulated Indoline Derivatives","Organic Letters","2017","","","","","10.1021/acs.orglett.7b00784","","","1.54178","CuKα","","0.0762","0.0522","","","0.1227","0.1356","","","","","","1.041","","","","has coordinates","195524","2020-10-21","18:00:00",""
"1545756","15.561","0.004","5.9415","0.0016","12.471","0.003","90","","92.799","0.003","90","","1151.6","0.5","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","2-(3-Methylphenyl)-1,2-benzoselenazol-3(2<i>H</i>)-one","","- C14 H11 N O Se -","- C14 H11 N O Se -","- C56 H44 N4 O4 Se4 -","4","1","SU4145","Wang, Liyun; Xu, Ying; Guo, Zhiqiang; Wei, Xuehong","2-(3-Methylphenyl)-1,2-benzoselenazol-3(2<i>H</i>)-one","IUCrData","2017","2","4","x170532","","10.1107/S2414314617005326","","","0.71073","MoKα","","0.0331","0.0267","","","0.0694","0.0726","","","","","","1.049","","","","has coordinates","195540","2020-10-21","18:00:00",""
"1545757","17.7623","0.0008","7.2919","0.0004","23.6434","0.0011","90","","102.092","0.0014","90","","2994.4","0.3","298","2","298","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","12-(dibromomethylene)pleiaden-7-one","","- C19 H10 Br2 O -","- C19 H10 Br2 O -","- C152 H80 Br16 O8 -","8","1","","Gu, Xiao; Li, Huiyan; Shan, Bowen; Liu, Zhifeng; Miao, Qian","Synthesis, Structure, and Properties of Tetrabenzo[7]circulene.","Organic letters","2017","19","9","2246","2249","10.1021/acs.orglett.7b00714","","","0.71073","MoKα","","0.0289","0.0258","","","0.0639","0.0652","","","","","","1.071","","","","has coordinates","197491","2020-10-21","18:00:00",""
"1545758","13.7789","0.0019","14.858","0.002","22.728","0.003","90","","98.14","0.002","90","","4606.2","1.1","296","2","296","2","","","","","","","","5","C 1 c 1","C -2yc","9","","","","- C25 H20.5 Cl2.5 N O2 -","- C25 H20.5 Cl2.5 N O2 -","- C200 H164 Cl20 N8 O16 -","8","2","","Zheng, Kai-Lu; You, Min-Qi; Shu, Wen-Ming; Wu, Yan-Dong; Wu, An-Xin","Acid-Mediated Intermolecular [3 + 2] Cycloaddition toward Pyrrolo[2,1-a]isoquinolines: Total Synthesis of the Lamellarin Core and Lamellarin G Trimethyl Ether.","Organic letters","2017","19","9","2262","2265","10.1021/acs.orglett.7b00769","","","0.71073","MoKα","","0.0938","0.0679","","","0.1974","0.2268","","","","","","0.981","","","","has coordinates,has disorder","217633","2020-10-21","18:00:00",""
"1545759","8.078","0.014","8.37","0.015","12.38","0.019","100.58","0.05","101.15","0.05","94.63","0.05","801","2","296","2","296","2","","","","","","","","4","P -1","-P 1","2","","","","- C21 H19 N O2 -","- C21 H19 N O2 -","- C42 H38 N2 O4 -","2","1","","Zheng, Kai-Lu; You, Min-Qi; Shu, Wen-Ming; Wu, Yan-Dong; Wu, An-Xin","Acid-Mediated Intermolecular [3 + 2] Cycloaddition toward Pyrrolo[2,1-a]isoquinolines: Total Synthesis of the Lamellarin Core and Lamellarin G Trimethyl Ether.","Organic letters","2017","19","9","2262","2265","10.1021/acs.orglett.7b00769","","","0.71073","MoKα","","0.1101","0.0592","","","0.1497","0.1945","","","","","","0.826","","","","has coordinates","197496","2020-10-21","18:00:00",""
"1545760","7.65703","0.00012","9.51508","0.00016","26.1253","0.0004","90","","90","","90","","1903.42","0.05","100.01","0.1","100.01","0.1","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C26 H19 N O2 -","- C26 H19 N O2 -","- C104 H76 N4 O8 -","4","1","","Kong, Duanyang; Han, Suna; Wang, Rui; Li, Meina; Zi, Guofu; Hou, Gouhua","Kinetic Resolution of 2-Substituted 1,2-Dihydroquinolines via Asymmetric Cu-Catalyzed Borylation Reaction","Chem. Sci.","2017","","","","","10.1039/C7SC01556A","","x-ray","1.54184","CuKα","","0.0298","0.0286","","","0.0703","0.071","","","","","","1.09","","","","has coordinates","195604","2020-10-21","18:00:00",""
"1545761","8.52078","0.0001","15.6118","0.0002","17.52","0.0002","90","","90","","90","","2330.59","0.05","100.01","0.1","100.01","0.1","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C27 H30 B N O4 -","- C27 H30 B N O4 -","- C108 H120 B4 N4 O16 -","4","1","","Kong, Duanyang; Han, Suna; Wang, Rui; Li, Meina; Zi, Guofu; Hou, Gouhua","Kinetic Resolution of 2-Substituted 1,2-Dihydroquinolines via Asymmetric Cu-Catalyzed Borylation Reaction","Chem. Sci.","2017","","","","","10.1039/C7SC01556A","","x-ray","1.54184","CuKα","","0.0324","0.0316","","","0.0795","0.0802","","","","","","1.062","","","","has coordinates","195604","2020-10-21","18:00:00",""
"1545762","11.0936","0.0003","14.6662","0.0002","14.75","0.0002","90","","90","","90","","2399.84","0.08","100.01","0.1","100.01","0.1","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C25 H32 B N O6 -","- C25 H32 B N O6 -","- C100 H128 B4 N4 O24 -","4","1","","Kong, Duanyang; Han, Suna; Wang, Rui; Li, Meina; Zi, Guofu; Hou, Gouhua","Kinetic Resolution of 2-Substituted 1,2-Dihydroquinolines via Asymmetric Cu-Catalyzed Borylation Reaction","Chem. Sci.","2017","","","","","10.1039/C7SC01556A","","x-ray","1.54184","CuKα","","0.0394","0.0353","","","0.0832","0.0858","","","","","","1.061","","","","has coordinates","195604","2020-10-21","18:00:00",""
"1545763","25.8262","0.0016","25.8262","0.0016","6.8315","0.0004","90","","90","","120","","3946.1","0.4","90","2","90","2","","","","","","","","4","R -3","-R 3","148","Co2(dobdc)(CO)0.58","","","- C8.58 H2 Co2 O6.58 -","- C8.58 H2 Co2 O6.58 -","- C77.22 H18 Co18 O59.22 -","9","","","Gonzalez, Miguel; Mason, Jarad; Bloch, Eric D.; Teat, Simon; Gagnon, Kevin J.; Morrison, Gregory Y.; Queen, Wendy Lee; Long, Jeffrey R.","Structural characterization of framework‒gas interactions in the metal‒organic framework Co2(dobdc) by in situ single-crystal X-ray diffraction","Chem. Sci.","2017","","","","","10.1039/C7SC00449D","","","0.7749","synchrotron","","0.0317","0.0274","","","0.0696","0.0718","","","","","","1.07","","","","has coordinates","195605","2020-10-21","18:00:00",""
"1545764","25.81","0.008","25.81","0.008","6.901","0.002","90","","90","","120","","3981","2","100","2","100","2","","","","","","","","5","R -3","-R 3","148","Co2(dobdc)(N2)3.78","","","- C8 H2 Co2 N7.55 O6 -","- C8 H2 Co2 N7.56 O6 -","- C72 H18 Co18 N68.04 O54 -","9","","","Gonzalez, Miguel; Mason, Jarad; Bloch, Eric D.; Teat, Simon; Gagnon, Kevin J.; Morrison, Gregory Y.; Queen, Wendy Lee; Long, Jeffrey R.","Structural characterization of framework‒gas interactions in the metal‒organic framework Co2(dobdc) by in situ single-crystal X-ray diffraction","Chem. Sci.","2017","","","","","10.1039/C7SC00449D","","","0.6199","synchrotron","","0.0805","0.0632","","","0.1233","0.1328","","","","","","1.19","","","","has coordinates","195605","2020-10-21","18:00:00",""
"1545765","25.892","0.004","25.892","0.004","6.8482","0.0009","90","","90","","120","","3975.9","1","296.15","","296.15","","","","","","","","","4","R -3","-R 3","148","Co2(dobdc)","","","- C8 H2 Co2 O6 -","- C8 H2 Co2 O6 -","- C72 H18 Co18 O54 -","9","","","Gonzalez, Miguel; Mason, Jarad; Bloch, Eric D.; Teat, Simon; Gagnon, Kevin J.; Morrison, Gregory Y.; Queen, Wendy Lee; Long, Jeffrey R.","Structural characterization of framework‒gas interactions in the metal‒organic framework Co2(dobdc) by in situ single-crystal X-ray diffraction","Chem. Sci.","2017","","","","","10.1039/C7SC00449D","","","0.7749","synchrotron","","0.0564","0.0485","","","0.137","0.1453","","","","","","1.116","","","","has coordinates","195605","2020-10-21","18:00:00",""
"1545766","25.7348","0.0008","25.7348","0.0008","6.8385","0.0002","90","","90","","120","","3922.2","0.2","100","2","100","2","","","","","","","","5","R -3","-R 3","148","Co2(dobdc)(P4)1.32","","","- C8 H2 Co2 O6 P5.28 -","- C8 H2 Co2 O6 P5.288 -","- C72 H18 Co18 O54 P47.592 -","9","","","Gonzalez, Miguel; Mason, Jarad; Bloch, Eric D.; Teat, Simon; Gagnon, Kevin J.; Morrison, Gregory Y.; Queen, Wendy Lee; Long, Jeffrey R.","Structural characterization of framework‒gas interactions in the metal‒organic framework Co2(dobdc) by in situ single-crystal X-ray diffraction","Chem. Sci.","2017","","","","","10.1039/C7SC00449D","","","0.7749","synchrotron","","0.0902","0.0822","","","0.2465","0.253","","","","","","1.198","","","","has coordinates,has disorder","195605","2020-10-21","18:00:00",""
"1545767","25.86","0.004","25.86","0.004","6.8678","0.001","90","","90","","120","","3977.5","1","90","2","90","2","","","","","","","","5","R -3","-R 3","148","Co2(dobdc)Ar2","","","- C8 H2 Ar2 Co2 O6 -","- C8 H2 Ar1.998 Co2 O6 -","- C72 H18 Ar17.982 Co18 O54 -","9","","","Gonzalez, Miguel; Mason, Jarad; Bloch, Eric D.; Teat, Simon; Gagnon, Kevin J.; Morrison, Gregory Y.; Queen, Wendy Lee; Long, Jeffrey R.","Structural characterization of framework‒gas interactions in the metal‒organic framework Co2(dobdc) by in situ single-crystal X-ray diffraction","Chem. Sci.","2017","","","","","10.1039/C7SC00449D","","","0.6525","synchrotron","","0.0637","0.0513","","","0.1272","0.1358","","","","","","1.072","","","","has coordinates,has disorder","195605","2020-10-21","18:00:00",""
"1545768","25.7599","0.0009","25.7599","0.0009","6.8766","0.0003","90","","90","","120","","3951.8","0.3","100","2","100","2","","","","","","","","4","R -3","-R 3","148","Co2(dobdc)(O2)5.94","","","- C8 H2 Co2 O17.92 -","- C8 H2 Co2 O17.88 -","- C72 H18 Co18 O160.92 -","9","","","Gonzalez, Miguel; Mason, Jarad; Bloch, Eric D.; Teat, Simon; Gagnon, Kevin J.; Morrison, Gregory Y.; Queen, Wendy Lee; Long, Jeffrey R.","Structural characterization of framework‒gas interactions in the metal‒organic framework Co2(dobdc) by in situ single-crystal X-ray diffraction","Chem. Sci.","2017","","","","","10.1039/C7SC00449D","","","0.7749","synchrotron","","0.086","0.0481","","","0.1045","0.1203","","","","","","1.015","","","","has coordinates,has disorder","195605","2020-10-21","18:00:00",""
"1545769","25.866","0.005","25.866","0.005","6.8457","0.0012","90","","90","","120","","3966.5","1.3","100","2","100","2","","","","","","","","4","R -3","-R 3","148","Co2(dobdc)(CH4)2","","","- C10 H10 Co2 O6 -","- C10 H2 Co2 O6 -","- C90 H18 Co18 O54 -","9","","","Gonzalez, Miguel; Mason, Jarad; Bloch, Eric D.; Teat, Simon; Gagnon, Kevin J.; Morrison, Gregory Y.; Queen, Wendy Lee; Long, Jeffrey R.","Structural characterization of framework‒gas interactions in the metal‒organic framework Co2(dobdc) by in situ single-crystal X-ray diffraction","Chem. Sci.","2017","","","","","10.1039/C7SC00449D","","","0.7749","synchrotron","","0.0558","0.0477","","","0.1205","0.1271","","","","","","1.064","","","","has coordinates","195605","2020-10-21","18:00:00",""
"1545770","25.853","0.003","25.853","0.003","6.8494","0.0007","90","","90","","120","","3964.7","0.8","100","2","100","2","","","","","","","","4","R -3","-R 3","148","Co2(dobdc)(CO)1.19","","","- C9.19 H2 Co2 O7.19 -","- C9.18 H2 Co2 O7.18 -","- C82.62 H18 Co18 O64.62 -","9","","","Gonzalez, Miguel; Mason, Jarad; Bloch, Eric D.; Teat, Simon; Gagnon, Kevin J.; Morrison, Gregory Y.; Queen, Wendy Lee; Long, Jeffrey R.","Structural characterization of framework‒gas interactions in the metal‒organic framework Co2(dobdc) by in situ single-crystal X-ray diffraction","Chem. Sci.","2017","","","","","10.1039/C7SC00449D","","","0.7749","synchrotron","","0.0491","0.0389","","","0.0978","0.1032","","","","","","1.051","","","","has coordinates","195605","2020-10-21","18:00:00",""
"1545771","13.7722","0.0006","39.9563","0.0016","17.7098","0.0007","90","","97.536","0.003","90","","9661.3","0.7","150","2","150","2","","","","","","","","9","P 1 21/c 1","-P 2ybc","14","","","","- C72 H83 Cl0 F0 N6 O0 P Pt2 S -","- C72 H83 N6 P Pt2 S -","- C288 H332 N24 P4 Pt8 S4 -","4","1","","Leung, Sammual Yu-Lut; Evariste, Sloane; Lescop, Christophe; Hissler, Muriel; Yam, Vivian Wing-Wah","Supramolecular assembly of a phosphole-based moiety into nanostructures dictated by alkynylplatinum(ii) terpyridine complexes through non-covalent Pt⋯Pt and π‒π stacking interactions: synthesis, characterization, photophysics and self-assembly behaviors","Chem. Sci.","2017","","","","","10.1039/C7SC00041C","","","0.71073","MoKα","","0.1478","0.078","","","0.2031","0.2237","","","","","","0.893","","","","has coordinates","195606","2020-10-21","18:00:00",""
"1545772","21.3916","0.0007","9.4099","0.0003","16.1292","0.0005","90","","90","","90","","3246.69","0.18","100","","100.04","","","","","","","","","6","P n a 21","P 2c -2n","33","","","","- C19 H38 Fe2 N6 O19 P2 -","- C19 H38 Fe2 N6 O19 P2 -","- C76 H152 Fe8 N24 O76 P8 -","4","1","","Du, Kang; Waters, Emily Alex; Harris, David David","Ratiometric Quantitation of Redox Status with a Molecular Fe2 Magnetic Resonance Probe","Chem. Sci.","2017","","","","","10.1039/C7SC00562H","","","0.71073","MoKα","","0.0508","0.0497","","","0.1165","0.117","","","","","","1.237","","","","has coordinates,has disorder","195607","2020-10-21","18:00:00",""
"1545773","8.7678","0.0002","10.7305","0.0002","10.8657","0.0002","67.757","0.001","88.911","0.001","87.411","0.001","945.24","0.03","130","","130","","","","","","","","","4","P 1","P 1","1","","","","- C22 H19 F3 O3 -","- C22 H19 F3 O3 -","- C44 H38 F6 O6 -","2","2","","Zhang, Junliang; Zhou, Wei; Wang, Hua-Min; Tao, Mengna; Zhu, Chao-Ze; Lin, Tao-Yan","Phosphine-catalyzed Enantioselective [3+2] Cycloadditions of -Substituted Allenoates with β-Perfluoroalkyl Enones","Chem. Sci.","2017","","","","","10.1039/C7SC01432E","","","1.54178","CuKα","","0.0391","0.0383","","","0.1088","0.1102","","","","","","0.898","","","","has coordinates","214153","2020-10-21","18:00:00",""
"1545774","12.9887","0.0007","15.9169","0.0009","15.3964","0.0007","90","","106.699","0.0018","90","","3048.8","0.3","193","2","193","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C30 H37 Au F6 O P Sb -","- C30 H37 Au F6 O P Sb -","- C120 H148 Au4 F24 O4 P4 Sb4 -","4","1","","Rekhroukh, Feriel; Blons, Charlie; Estevez, Laura; Ladeira, Sonia; Miqueu, Karinne; Amgoune, Abderrahmane; Bourissou, Didier","Gold(III)-arene complexes by insertion of olefins into gold-aryl bonds","Chem. Sci.","2017","","","","","10.1039/C7SC00145B","","","0.71073","MoKα","","0.022","0.0191","","","0.045","0.0463","","","","","","1.026","","","","has coordinates,has disorder","195609","2020-10-21","18:00:00",""
"1545775","8.429","0.0003","10.7662","0.0003","11.6292","0.0003","90","","94.266","0.002","90","","1052.41","0.05","193","2","193","2","","","","","","","synthesis as described","5","P 1 21 1","P 2yb","4","","","","- C22 H25 Au I P -","- C22 H25 Au I P -","- C44 H50 Au2 I2 P2 -","2","1","","Rekhroukh, Feriel; Blons, Charlie; Estevez, Laura; Ladeira, Sonia; Miqueu, Karinne; Amgoune, Abderrahmane; Bourissou, Didier","Gold(III)-arene complexes by insertion of olefins into gold-aryl bonds","Chem. Sci.","2017","","","","","10.1039/C7SC00145B","","x-ray","1.54178","CuKα","","0.0451","0.0406","","","0.1109","0.1155","","","","","","0.934","","","","has coordinates","195609","2020-10-21","18:00:00",""
"1545776","16.3409","0.0006","9.0662","0.0003","35.1804","0.0013","90","","101.985","0.004","90","","5098.4","0.3","99.9","0.2","99.9","0.2","","","","","","","","2","I 1 2/a 1","-I 2ya","15","","","","- C64 H82 -","- C64 H82 -","- C256 H328 -","4","0.5","","Ivanov, Maxim V.; Thakur, Khushabu; Boddeda, Anitha; Wang, Denan; Rathore, Rajendra","Nodal Arrangement of HOMO Controls the Turning On/Off the Electronic Coupling in Isomeric Polypyrene Wires","The Journal of Physical Chemistry C","2017","121","17","9202","","10.1021/acs.jpcc.7b02264","","x-ray","1.54184","CuKα","","0.0832","0.0542","","","0.153","0.1822","","","","","","1.023","","","","has coordinates","196159","2020-10-21","18:00:00",""
"1545778","7.4743","0.0006","17.3909","0.0014","10.0665","0.0006","90","","107.933","0.003","90","","1244.92","0.16","296","2","296","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C14 H12 O2 Se -","- C14 H12 O2 Se -","- C56 H48 O8 Se4 -","4","1","","Mandal, Anup; Dana, Suman; Sahoo, Harekrishna; Grandhi, Gowri Sankar; Baidya, Mahiuddin","Ruthenium(II)-Catalyzed ortho-C-H Chalcogenation of Benzoic Acids via Weak O-Coordination: Synthesis of Chalcogenoxanthones.","Organic letters","2017","19","9","2430","2433","10.1021/acs.orglett.7b00996","","","0.71073","MoKα","","0.0608","0.0339","","","0.0798","0.0891","","","","","","1.101","","","","has coordinates","197488","2020-10-21","18:00:00",""
"1545779","10.126","0.0003","12.9083","0.0003","13.2893","0.0004","77.953","0.001","80.076","0.001","82.458","0.001","1665.16","0.08","296","2","296","2","","","","","","","","4","P -1","-P 1","2","","","","- C19 H14 O2 Se2 -","- C19 H14 O2 Se2 -","- C76 H56 O8 Se8 -","4","2","","Mandal, Anup; Dana, Suman; Sahoo, Harekrishna; Grandhi, Gowri Sankar; Baidya, Mahiuddin","Ruthenium(II)-Catalyzed ortho-C-H Chalcogenation of Benzoic Acids via Weak O-Coordination: Synthesis of Chalcogenoxanthones.","Organic letters","2017","19","9","2430","2433","10.1021/acs.orglett.7b00996","","","0.71073","MoKα","","0.0425","0.027","","","0.055","0.0592","","","","","","1.029","","","","has coordinates","214153","2020-10-21","18:00:00",""
"1545780","8.729","0.004","9.996","0.004","25.71","0.011","90","","98.72","0.007","90","","2217.4","1.6","173","","173","","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C25 H21 Br N2 O3 S -","- C25 H21 Br N2 O3 S -","- C100 H84 Br4 N8 O12 S4 -","4","1","","Yi, Liang; Zhang, Yuyang; Zhang, Zhao-Fei; Sun, Dequn; Ye, Song","Synthesis of Dihydropyridinone-Fused Indoles and α-Carbolines via N-Heterocyclic Carbene-Catalyzed [3 + 3] Annulation of Indolin-2-imines and Bromoenals.","Organic letters","2017","19","9","2286","2289","10.1021/acs.orglett.7b00820","","","0.71073","MoKα","","0.1414","0.128","","","0.192","0.1975","","","","","","1.327","","","","has coordinates,has disorder","197490","2020-10-21","18:00:00",""
"1545781","14.811","0.006","5.342","0.002","19.823","0.007","90","","99.03","0.02","90","","1549","1","123","","123","","","","","","","","","5","I 1 2 1","I 2y","5","","","","- C14 H21 N O4 S -","- C14 H21 N O4 S -","- C56 H84 N4 O16 S4 -","4","1","","Sekiya, Shinji; Okumura, Mao; Kubota, Kei; Nakamura, Tatsuya; Sekine, Daisuke; Hosokawa, Seijiro","Remote Asymmetric Bromination Reaction with Vinylketene Silyl N,O-Acetal and Its Application to Total Synthesis of Pellasoren A.","Organic letters","2017","19","9","2394","2397","10.1021/acs.orglett.7b00920","","","0.71075","MoKα","","0.1313","0.0866","","","0.2023","0.2479","","","","","","1.021","","","","has coordinates","197492","2020-10-21","18:00:00",""
"1545782","10.006","0.001","6.2513","0.0006","10.8417","0.0012","90","","93.336","0.003","90","","677","0.12","173","","173","","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C12 H18 Br N O3 -","- C12 H18 Br N O3 -","- C24 H36 Br2 N2 O6 -","2","1","","Sekiya, Shinji; Okumura, Mao; Kubota, Kei; Nakamura, Tatsuya; Sekine, Daisuke; Hosokawa, Seijiro","Remote Asymmetric Bromination Reaction with Vinylketene Silyl N,O-Acetal and Its Application to Total Synthesis of Pellasoren A.","Organic letters","2017","19","9","2394","2397","10.1021/acs.orglett.7b00920","","","0.71075","MoKα","","0.0977","0.056","","","0.1375","0.1814","","","","","","1.07","","","","has coordinates","197492","2020-10-21","18:00:00",""
"1545783","7.2271","0.0007","8.948","0.0007","12.1887","0.0011","90","","105.819","0.009","90","","758.37","0.12","100","2","100","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","4-bromo-2-chlorobenzoic acid/2-bromo-4-chlorobenzoic acid","","- C7 H4 Br Cl O2 -","- C7 H4 Br Cl O2 -","- C28 H16 Br4 Cl4 O8 -","4","1","","Pramanik, Titas; Srinivas, Pavan Mysore; Tayur, Guru Row N.","FDHALO17: Do halogen bonds dictate the packing preferences in solid solutions?","Faraday Discuss.","2017","","","","","10.1039/C7FD00084G","","","0.71073","MoKα","","0.0618","0.0458","","","0.0865","0.0947","","","","","","1.1","","","","has coordinates,has disorder","195684","2020-10-21","18:00:00",""
"1545784","7.2738","0.0003","9.0627","0.0003","11.7233","0.0005","90","","102.916","0.004","90","","753.25","0.05","100","2","100","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","4-bromo-2-chlorobenzoic acid","","","- C7 H4 Br Cl O2 -","- C7 H4 Br Cl O2 -","- C28 H16 Br4 Cl4 O8 -","4","1","","Pramanik, Titas; Srinivas, Pavan Mysore; Tayur, Guru Row N.","FDHALO17: Do halogen bonds dictate the packing preferences in solid solutions?","Faraday Discuss.","2017","","","","","10.1039/C7FD00084G","","","0.71073","MoKα","","0.0346","0.0276","","","0.0586","0.0621","","","","","","1.058","","","","has coordinates","195684","2020-10-21","18:00:00",""
"1545785","7.2577","0.0003","9.0397","0.0003","11.8561","0.0004","90","","103.904","0.004","90","","755.06","0.05","100","2","100","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","4-bromo-2-chlorobenzoic acid/2-bromo-4-chlorobenzoic acid","","- C7 H4 Br Cl O2 -","- C7 H4 Br Cl O2 -","- C28 H16 Br4 Cl4 O8 -","4","1","","Pramanik, Titas; Srinivas, Pavan Mysore; Tayur, Guru Row N.","FDHALO17: Do halogen bonds dictate the packing preferences in solid solutions?","Faraday Discuss.","2017","","","","","10.1039/C7FD00084G","","","0.71073","MoKα","","0.0271","0.0243","","","0.059","0.0601","","","","","","1.095","","","","has coordinates,has disorder","195684","2020-10-21","18:00:00",""
"1545786","7.256","0.0002","9.0227","0.0002","11.9855","0.0003","90","","104.676","0.003","90","","759.07","0.03","100","2","100","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","4-bromo-2chlorobenzoic acid","","","- C7 H4 Br Cl O2 -","- C7 H4 Br Cl O2 -","- C28 H16 Br4 Cl4 O8 -","4","1","","Pramanik, Titas; Srinivas, Pavan Mysore; Tayur, Guru Row N.","FDHALO17: Do halogen bonds dictate the packing preferences in solid solutions?","Faraday Discuss.","2017","","","","","10.1039/C7FD00084G","","","0.71073","MoKα","","0.0214","0.0198","","","0.0508","0.0516","","","","","","1.12","","","","has coordinates,has disorder","195684","2020-10-21","18:00:00",""
"1545787","3.8949","0.0003","8.2939","0.0003","11.8408","0.0005","89.014","0.003","89.991","0.005","78.651","0.005","374.97","0.04","100","2","100","2","","","","","","","","5","P -1","-P 1","2","2-Bromo-4chlorobenzoic acid","2-Bromo-4chlorobenzoic acid","","- C7 H4 Br Cl O2 -","- C7 H4 Br Cl O2 -","- C14 H8 Br2 Cl2 O4 -","2","1","","Pramanik, Titas; Srinivas, Pavan Mysore; Tayur, Guru Row N.","FDHALO17: Do halogen bonds dictate the packing preferences in solid solutions?","Faraday Discuss.","2017","","","","","10.1039/C7FD00084G","","","0.71073","MoKα","","0.0394","0.034","","","0.0757","0.0804","","","","","","1.121","","","","has coordinates","195684","2020-10-21","18:00:00",""
"1545788","7.2385","0.0004","8.9976","0.0005","12.1313","0.0006","90","","105.406","0.005","90","","761.71","0.07","100","2","100","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","4-bromo-2-chlorobenzoic acid/2-bromo-4-chlorobenzoic acid","","- C7 H4 Br Cl O2 -","- C7 H4 Br Cl O2 -","- C28 H16 Br4 Cl4 O8 -","4","1","","Pramanik, Titas; Srinivas, Pavan Mysore; Tayur, Guru Row N.","FDHALO17: Do halogen bonds dictate the packing preferences in solid solutions?","Faraday Discuss.","2017","","","","","10.1039/C7FD00084G","","","0.71073","MoKα","","0.0411","0.033","","","0.0648","0.0682","","","","","","1.063","","","","has coordinates,has disorder","195684","2020-10-21","18:00:00",""
"1545789","3.9007","0.0004","8.307","0.0004","11.9258","0.0012","88.909","0.006","89.987","0.008","78.731","0.006","378.91","0.06","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","2-bromo-4-chlorobenzoic acid/4-bromo-2-chlorobenzoic acid","","- C7 H4 Br Cl O2 -","- C7 H4 Br Cl O2 -","- C14 H8 Br2 Cl2 O4 -","2","1","","Pramanik, Titas; Srinivas, Pavan Mysore; Tayur, Guru Row N.","FDHALO17: Do halogen bonds dictate the packing preferences in solid solutions?","Faraday Discuss.","2017","","","","","10.1039/C7FD00084G","","","0.71073","MoKα","","0.0734","0.0601","","","0.134","0.1481","","","","","","1.075","","","","has coordinates,has disorder","195684","2020-10-21","18:00:00",""
"1545790","7.2399","0.0003","9.0087","0.0002","12.0539","0.0004","90","","105.036","0.004","90","","759.26","0.05","100","2","100","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","4-bromo-2-chlobenzoic acid/ 2-bromo-4-chlorobenzoic acid","","- C7 H4 Br Cl O2 -","- C7 H4 Br Cl O2 -","- C28 H16 Br4 Cl4 O8 -","4","1","","Pramanik, Titas; Srinivas, Pavan Mysore; Tayur, Guru Row N.","FDHALO17: Do halogen bonds dictate the packing preferences in solid solutions?","Faraday Discuss.","2017","","","","","10.1039/C7FD00084G","","","0.71073","MoKα","","0.033","0.0277","","","0.0641","0.0667","","","","","","1.067","","","","has coordinates,has disorder","195684","2020-10-21","18:00:00",""
"1545791","19.948","0.003","28.361","0.005","9.3012","0.0016","90","","96.59","0.004","90","","5227.3","1.5","100","2","100","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C16 H36 Cl0.07 I4.93 N -","- C16 H36 Cl0.0738 I4.9262 N -","- C128 H288 Cl0.5904 I39.4096 N8 -","8","2","","Mustoe, Chantal L.; Yu, Darren; Gunabalasingam, Mathusan; Patrick, Brian O.; Kennepohl, Pierre","FDHALO17: Probing covalency in halogen bonds through Donor K-edge X-ray Absorption Spectroscopy: polyhalides as coordination complexes","Faraday Discuss.","2017","","","","","10.1039/C7FD00076F","","x-ray","0.71073","MoKα","","0.0397","0.0307","","","0.0532","0.0555","","","","","","1.104","","","","has coordinates,has disorder","195685","2020-10-21","18:00:00",""
"1545792","9.463","0.003","15.553","0.005","15.805","0.005","83.658","0.007","74.285","0.006","78.5","0.006","2190.3","1.2","90","2","90","2","","","","","","","","4","P -1","-P 1","2","","","","- C16 H36 I3 N -","- C16 H36 I3 N -","- C64 H144 I12 N4 -","4","2","","Mustoe, Chantal L.; Yu, Darren; Gunabalasingam, Mathusan; Patrick, Brian O.; Kennepohl, Pierre","FDHALO17: Probing covalency in halogen bonds through Donor K-edge X-ray Absorption Spectroscopy: polyhalides as coordination complexes","Faraday Discuss.","2017","","","","","10.1039/C7FD00076F","","x-ray","0.71073","MoKα","","0.0413","0.0301","","","0.0602","0.0642","","","","","","1.086","","","","has coordinates","195685","2020-10-21","18:00:00",""
"1545793","13.52363","0.00038","13.52363","0.00038","31.1617","0.001","90","","90","","120","","4935.6","0.3","300","","300","","","","","","","","","4","R 3 2 :H","R 3 2""","155","","","","- B30 Nd5 O60 Rb15 -","- B30 Nd5 O60 Rb15 -","- B90 Nd15 O180 Rb45 -","3","0.166667","","V.V. Atuchin; A.K. Subanakov; A.S. Aleksandrovsky; B.G. Bazarov; J.G. Bazarova; S.G. Dorzhieva; T.A. Gavrilova; A.S. Krylov; M.S. Molokeev; A.S. Oreshonkov; A.M. Pugachev; Yu.L. Tushinova; A.P. Yelisseyev","Exploration of structural, thermal, vibrational and spectroscopic properties of new noncentrosymmetric double borate Rb3NdB6O12","Advanced Powder Technology","2017","28","5","1309","1315","10.1016/j.apt.2017.02.019","powder diffraction","x-ray","1.5406","CuKα~1~~2~","","","","","","","","","1.75","4.75","","","","","","","has coordinates","205493","2020-10-21","18:00:00",""
"1545794","6.024","0.0002","12.4238","0.0004","20.231","0.0006","78.658","0.002","86.669","0.002","78.084","0.002","1452.31","0.08","173","2","173","2","","","","","","","","5","P -1","-P 1","2","","","","- C68 H78 N2 O2 S4 -","- C68 H78 N2 O2 S4 -","- C68 H78 N2 O2 S4 -","1","0.5","","Ganguly, Anindya; Zhu, Jianfeng; Kelly, Timothy L.","Effect of Cross-Conjugation on Derivatives of Benzoisoindigo, an Isoindigo Analogue with an Extended π-System","The Journal of Physical Chemistry C","2017","121","17","9110","","10.1021/acs.jpcc.7b00742","","","0.71073","MoKα","","0.118","0.0956","","","0.2719","0.2978","","","","","","1.039","","","","has coordinates,has disorder","196161","2020-10-21","18:00:00",""
"1545795","5.36033","0.0001","5.36033","0.0001","11.82739","0.00026","90","","90","","90","","339.838","0.012","300","","300","","","","","","","","","5","I 41/a :2","-I 4ad","88","","","","- La1.33 Mo4 Na1.33 O16 Sr1.33 -","- La1.33333 Mo4 Na1.33333 O16 Sr1.33333 -","- La1.33333 Mo4 Na1.33333 O16 Sr1.33333 -","1","0.0625","","Chang Sung Lim; Aleksandr S. Aleksandrovsky; Maxim S. Molokeev; Aleksandr S. Oreshonkov; Victor V. Atuchin","Microwave synthesis and spectroscopic properties of ternary scheelite-type molybdate phosphors NaSrLa(MoO4)3:Er3+,Yb3+","Journal of Alloys and Compounds","2017","713","0","156","163","10.1016/j.jallcom.2017.04.060","powder diffraction","x-ray","1.5406","CuKα~1~~2~","","","","","","","","","6.6","1.245","","","","","","","has coordinates","205493","2020-10-21","18:00:00",""
"1545796","5.34061","0.00011","5.34061","0.00011","11.77693","0.00024","90","","90","","90","","335.903","0.012","300","","300","","","","","","","","","6","I 41/a :2","-I 4ad","88","","","","- Er0.27 La1.07 Mo4 Na1.33 O16 Sr1.33 -","- Er0.266667 La1.06667 Mo4 Na1.33333 O16 Sr1.33333 -","- Er0.266667 La1.06667 Mo4 Na1.33333 O16 Sr1.33333 -","1","0.0625","","Chang Sung Lim; Aleksandr S. Aleksandrovsky; Maxim S. Molokeev; Aleksandr S. Oreshonkov; Victor V. Atuchin","Microwave synthesis and spectroscopic properties of ternary scheelite-type molybdate phosphors NaSrLa(MoO4)3:Er3+,Yb3+","Journal of Alloys and Compounds","2017","713","0","156","163","10.1016/j.jallcom.2017.04.060","powder diffraction","x-ray","1.5406","CuKα~1~~2~","","","","","","","","","4.11","1.157","","","","","","","has coordinates","205493","2020-10-21","18:00:00",""
"1545797","5.32926","0.00014","5.32926","0.00014","11.74788","0.0003","90","","90","","90","","333.652","0.015","300","","300","","","","","","","","","7","I 41/a :2","-I 4ad","88","","","","- Er0.13 La0.93 Mo4 Na1.33 O16 Sr1.33 Yb0.27 -","- Er0.133333 La0.933333 Mo4 Na1.33333 O16 Sr1.33333 Yb0.266667 -","- Er0.133333 La0.933333 Mo4 Na1.33333 O16 Sr1.33333 Yb0.266667 -","1","0.0625","","Chang Sung Lim; Aleksandr S. Aleksandrovsky; Maxim S. Molokeev; Aleksandr S. Oreshonkov; Victor V. Atuchin","Microwave synthesis and spectroscopic properties of ternary scheelite-type molybdate phosphors NaSrLa(MoO4)3:Er3+,Yb3+","Journal of Alloys and Compounds","2017","713","0","156","163","10.1016/j.jallcom.2017.04.060","powder diffraction","x-ray","1.5406","CuKα~1~~2~","","","","","","","","","2.34","1.139","","","","","","","has coordinates","205493","2020-10-21","18:00:00",""
"1545798","5.30628","0.0001","5.30628","0.0001","11.68195","0.00025","90","","90","","90","","328.924","0.011","300","","300","","","","","","","","","7","I 41/a :2","-I 4ad","88","","","","- Er0.07 La0.67 Mo4 Na1.33 O16 Sr1.33 Yb0.6 -","- Er0.0666667 La0.666667 Mo4 Na1.33333 O16 Sr1.33333 Yb0.6 -","- Er0.0666667 La0.666667 Mo4 Na1.33333 O16 Sr1.33333 Yb0.6 -","1","0.0625","","Chang Sung Lim; Aleksandr S. Aleksandrovsky; Maxim S. Molokeev; Aleksandr S. Oreshonkov; Victor V. Atuchin","Microwave synthesis and spectroscopic properties of ternary scheelite-type molybdate phosphors NaSrLa(MoO4)3:Er3+,Yb3+","Journal of Alloys and Compounds","2017","713","0","156","163","10.1016/j.jallcom.2017.04.060","powder diffraction","x-ray","1.5406","CuKα~1~~2~","","","","","","","","","2.62","1.113","","","","","","","has coordinates","205493","2020-10-21","18:00:00",""
"1545799","11.2899","0.0006","10.188","0.0005","8.5203","0.0005","90","","93.637","0.003","90","","978.04","0.09","100","2","100","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C13 H13 N O -","- C13 H13 N O -","- C52 H52 N4 O4 -","4","1","","Hu, Feng; Nareddy, Pradeep; Lalancette, Roger; Jordan, Frank; Szostak, Michal","σ N-C Bond Difunctionalization in Bridged Twisted Amides: Sew-and-Cut Activation Approach to Functionalized Isoquinolines.","Organic letters","2017","19","9","2386","2389","10.1021/acs.orglett.7b00913","","","1.54178","CuKα","","0.0436","0.0366","","","0.0873","0.0908","","","","","","1.082","","","","has coordinates","197495","2020-10-21","18:00:00",""
"1545800","7.8403","0.0002","12.7512","0.0003","10.5247","0.0002","90","","91.486","0.002","90","","1051.83","0.04","295","2","295","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C15 H28 N4 O7 S2 -","- C15 H28 N4 O7 S2 -","- C30 H56 N8 O14 S4 -","2","0.5","","Deng, Jie; Xu, Bao-Hua; Wang, Yao-Feng; Mo, Xian-En; Zhang, Rui; Li, You; Zhang, Suo-Jiang","Brønsted acidic ionic liquid-catalyzed dehydrative formation of isosorbide from sorbitol: introduction of a continuous process","Catal. Sci. Technol.","2017","","","","","10.1039/C7CY00512A","","","1.54178","CuKα","","0.0397","0.0366","","","0.0785","0.0801","","","","","","1.088","","","","has coordinates","195733","2020-10-21","18:00:00",""
"1545801","8.3343","0.0003","8.2225","0.0004","27.6171","0.0015","90","","90","","90","","1892.57","0.15","298","","298","","","","","","","","","5","P b c a","-P 2ac 2ab","61","","bis(butylammonium) tetrabromoplumbate","","- C8 H24 Br4 N2 Pb -","- C8 H24 Br4 N2 Pb -","- C32 H96 Br16 N8 Pb4 -","4","0.5","","Smith, Matthew D.; Jaffe, Adam; Dohner, Emma R.; Lindenberg, Aaron; Karunadasa, Hemamala I.","Structural Origins of Broadband Emission from Layered Pb‒Br Hybrid Perovskites","Chem. Sci.","2017","","","","","10.1039/C7SC01590A","","","0.71073","MoKα","","0.0438","0.0277","","","0.0605","0.066","","","","","","1.137","","","","has coordinates","195736","2020-10-21","18:00:00",""
"1545802","8.0135","0.0004","8.427","0.0004","10.7367","0.0005","78.957","0.002","69.565","0.002","89.542","0.001","665.47","0.06","296.15","","296.15","","","","","","","","","5","P -1","-P 1","2","","1,4-butanediammonium tetrabromoplumbate","","- C4 H14 Br4 N2 Pb -","- C4 H14 Br4 N2 Pb -","- C8 H28 Br8 N4 Pb2 -","2","1","","Smith, Matthew D.; Jaffe, Adam; Dohner, Emma R.; Lindenberg, Aaron; Karunadasa, Hemamala I.","Structural Origins of Broadband Emission from Layered Pb‒Br Hybrid Perovskites","Chem. Sci.","2017","","","","","10.1039/C7SC01590A","","","0.71073","MoKα","","0.0638","0.0378","","","0.0712","0.079","","","","","","1.036","","","","has coordinates","195736","2020-10-21","18:00:00",""
"1545803","10.6055","0.0013","11.6091","0.0014","11.9312","0.0014","90","","110.061","0.003","90","","1379.8","0.3","296.15","","296.15","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","histammonium tetrabromoplumbate","","- C5 H11 Br4 N3 Pb -","- C5 H11 Br4 N3 Pb -","- C20 H44 Br16 N12 Pb4 -","4","1","","Smith, Matthew D.; Jaffe, Adam; Dohner, Emma R.; Lindenberg, Aaron; Karunadasa, Hemamala I.","Structural Origins of Broadband Emission from Layered Pb‒Br Hybrid Perovskites","Chem. Sci.","2017","","","","","10.1039/C7SC01590A","","","0.71073","MoKα","","0.0292","0.023","","","0.054","0.0562","","","","","","1.065","","","","has coordinates","195736","2020-10-21","18:00:00",""
"1545804","24.4632","0.0015","8.0039","0.0004","8.1963","0.0005","90","","99.745","0.002","90","","1581.69","0.16","298","","298","","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","(2-methyl-1,5-pentanediammonium) tetrabromoplumbate","","- C6 H18 Br4 N2 Pb -","- C6 H17 Br4 N2 Pb -","- C24 H68 Br16 N8 Pb4 -","4","0.5","","Smith, Matthew D.; Jaffe, Adam; Dohner, Emma R.; Lindenberg, Aaron; Karunadasa, Hemamala I.","Structural Origins of Broadband Emission from Layered Pb‒Br Hybrid Perovskites","Chem. Sci.","2017","","","","","10.1039/C7SC01590A","","","0.71073","MoKα","","0.0239","0.0199","","","0.043","0.0446","","","","","","1.093","","","","has coordinates,has disorder","195736","2020-10-21","18:00:00",""
"1545805","10.5412","0.0013","11.5023","0.0014","11.925","0.0014","90","","109.996","0.003","90","","1358.7","0.3","100","","100","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","histammonium tetrabromoplumbate","","- C5 H11 Br4 N3 Pb -","- C5 H11 Br4 N3 Pb -","- C20 H44 Br16 N12 Pb4 -","4","1","","Smith, Matthew D.; Jaffe, Adam; Dohner, Emma R.; Lindenberg, Aaron; Karunadasa, Hemamala I.","Structural Origins of Broadband Emission from Layered Pb‒Br Hybrid Perovskites","Chem. Sci.","2017","","","","","10.1039/C7SC01590A","","","0.71073","MoKα","","0.0222","0.0177","","","0.0394","0.0407","","","","","","1.067","","","","has coordinates","195736","2020-10-21","18:00:00",""
"1545806","13.807","0.003","7.9891","0.0014","8.2769","0.0014","90","","104.34","0.006","90","","884.5","0.3","298","","298","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","octanediammonium tetrabromoplumbate","","- C8 H22 Br4 N2 Pb -","- C8 H22 Br4 N2 Pb -","- C16 H44 Br8 N4 Pb2 -","2","0.5","","Smith, Matthew D.; Jaffe, Adam; Dohner, Emma R.; Lindenberg, Aaron; Karunadasa, Hemamala I.","Structural Origins of Broadband Emission from Layered Pb‒Br Hybrid Perovskites","Chem. Sci.","2017","","","","","10.1039/C7SC01590A","","","0.71073","MoKα","","0.0373","0.0272","","","0.0694","0.0732","","","","","","1.046","","","","has coordinates,has disorder","195736","2020-10-21","18:00:00",""
"1545807","7.7688","0.0003","8.5108","0.0004","24.6314","0.0011","90","","95.197","0.002","90","","1621.9","0.12","298","","298","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","3-(2-ammonioethyl)-anilinium tetrabromoplumbate","","- C8 H14 Br4 N2 Pb -","- C8 H14 Br4 N2 Pb -","- C32 H56 Br16 N8 Pb4 -","4","1","","Smith, Matthew D.; Jaffe, Adam; Dohner, Emma R.; Lindenberg, Aaron; Karunadasa, Hemamala I.","Structural Origins of Broadband Emission from Layered Pb‒Br Hybrid Perovskites","Chem. Sci.","2017","","","","","10.1039/C7SC01590A","","","0.7749","","","0.078","0.071","","","0.2031","0.2092","","","","","","1.122","","","","has coordinates","195736","2020-10-21","18:00:00",""
"1545808","24.7721","0.0012","8.0709","0.0004","56.964","0.003","90","","97.137","0.002","90","","11300.7","1","298","","298","","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","bis(4-ammoniobutanoic acid) tetrabromoplumbate","","- C24 H60 Br12 N6 O12 Pb3 -","- C24 H60 Br12 N6 O12 Pb3 -","- C192 H480 Br96 N48 O96 Pb24 -","8","2","","Smith, Matthew D.; Jaffe, Adam; Dohner, Emma R.; Lindenberg, Aaron; Karunadasa, Hemamala I.","Structural Origins of Broadband Emission from Layered Pb‒Br Hybrid Perovskites","Chem. Sci.","2017","","","","","10.1039/C7SC01590A","","","0.71073","MoKα","","0.1251","0.0493","","","0.0757","0.0928","","","","","","1.013","","","","has coordinates","195736","2020-10-21","18:00:00",""
"1545873","10.8556","0.0016","8.4638","0.0013","17.443","0.003","90","","96.664","0.004","90","","1591.8","0.4","102","2","102","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C29 H35 N5 O5 S4 -","- C29 H35 N5 O5 S4 -","- C58 H70 N10 O10 S8 -","2","1","","Antczak, Monika I.; Zhang, Yongyou; Wang, Changguang; Doran, Jennifer; Naidoo, Jacinth; Voruganti, Sukesh; Williams, Noelle S.; Markowitz, Sanford D.; Ready, Joseph M.","Inhibitors of 15-Prostaglandin Dehydrogenase to Potentiate Tissue Repair.","Journal of medicinal chemistry","2017","","","","","10.1021/acs.jmedchem.7b00271","","","0.71073","MoKα","","0.0944","0.0683","","","0.173","0.1928","","","","","","1.082","","","","has coordinates,has disorder","195759","2020-10-21","18:00:00",""
"1545874","8.9922","0.0004","9.6614","0.0005","10.2093","0.0005","90","","105.422","0.001","90","","855.02","0.07","113","","113","","","","","","","","","7","P 1 21/a 1","-P 2yab","14","Li[C2C1im][N(SO2F)2]2","lithium 1-ethyl-3-methylimidazolium bis(fluorosulfonyl)amide","","- C6 H11 F4 Li N4 O8 S4 -","- C6 H11 F4 Li N4 O8 S4 -","- C12 H22 F8 Li2 N8 O16 S8 -","2","0.5","","Matsumoto, Kazuhiko; Nishiwaki, Erisa; Hosokawa, Takafumi; Tawa, Shinya; Nohira, Toshiyuki; Hagiwara, Rika","Thermal, Physical, and Electrochemical Properties of Li[N(SO2F)2]-[1-Ethyl-3-methylimidazolium][N(SO2F)2] Ionic Liquid Electrolytes for Li Secondary Batteries Operated at Room and Intermediate Temperatures","The Journal of Physical Chemistry C","2017","121","17","9209","","10.1021/acs.jpcc.7b02296","","","0.71073","MoKα","","0.0325","0.0305","","","0.0856","0.0867","","","","","","1.13","","","","has coordinates,has disorder","196160","2020-10-21","18:00:00",""
"1545875","14.0418","0.0004","6.1192","0.0002","17.399","0.0005","90","","101.306","0.002","90","","1465.99","0.08","173","2","173","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C14 H14 S4 -","- C14 H14 S4 -","- C56 H56 S16 -","4","1","","Cerda, Matthew M.; Hammers, Matthew D.; Earp, Mary S.; Zakharov, Lev N.; Pluth, Michael D.","Applications of Synthetic Organic Tetrasulfides as H2S Donors.","Organic letters","2017","19","9","2314","2317","10.1021/acs.orglett.7b00858","","","1.54178","CuKα","","0.0412","0.0356","","","0.0928","0.0969","","","","","","1.036","","","","has coordinates","197493","2020-10-21","18:00:00",""
"1545876","10.02","0.002","11.238","0.003","17.984","0.005","90","","101.851","0.011","90","","1981.9","0.9","90","2","90","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C23 H20 N2 O3 S -","- C23 H20 N2 O3 S -","- C92 H80 N8 O12 S4 -","4","1","","Stefan, Mihaela Corina; Dissanayake, Dushanthi; McCandless, Gregory T.; Biewer, Michael C.","Systematic variation of thiophene substituents in photochromic spiropyrans","Photochem. Photobiol. Sci.","2017","","","","","10.1039/C7PP00057J","","","0.71073","MoKα","","0.0726","0.0499","","","0.1155","0.125","","","","","","1.038","","","","has coordinates","195777","2020-10-21","18:00:00",""
"1545877","19.967","0.007","11.759","0.003","8.67","0.002","90","","94.66","0.018","90","","2028.9","1","90","2","90","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C23 H19 Br N2 O3 S -","- C23 H19 Br N2 O3 S -","- C92 H76 Br4 N8 O12 S4 -","4","1","","Stefan, Mihaela Corina; Dissanayake, Dushanthi; McCandless, Gregory T.; Biewer, Michael C.","Systematic variation of thiophene substituents in photochromic spiropyrans","Photochem. Photobiol. Sci.","2017","","","","","10.1039/C7PP00057J","","","0.71073","MoKα","","0.1058","0.0803","","","0.1859","0.2001","","","","","","1.047","","","","has coordinates,has disorder","195777","2020-10-21","18:00:00",""
"1545879","10.3695","0.001","11.2448","0.0011","19.3109","0.0019","90","","94.823","0.002","90","","2243.7","0.4","293","2","293","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C24 H23 N O6 S -","- C24 H23 N O6 S -","- C96 H92 N4 O24 S4 -","4","1","","Xing, Jiaojiao; Lei, Yu; Gao, Yu-Ning; Shi, Min","PPh3-Catalyzed [3 + 2] Spiroannulation of 1C,3N-Bisnucleophiles Derived from Secondary β-Ketoamides with δ-Acetoxy Allenoate: A Route to Functionalized Spiro N-Heterocyclic Derivatives.","Organic letters","2017","19","9","2382","2385","10.1021/acs.orglett.7b00910","","","0.71073","MoKα","","0.0853","0.056","","","0.1229","0.1362","","","","","","1.038","","","","has coordinates","197497","2020-10-21","18:00:00",""
"1545880","15.5866","0.0016","9.8958","0.001","14.265","0.0014","90","","98.14","0.002","90","","2178.1","0.4","130","","130","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C22 H27 N O6 S -","- C22 H27 N O6 S -","- C88 H108 N4 O24 S4 -","4","1","","Xing, Jiaojiao; Lei, Yu; Gao, Yu-Ning; Shi, Min","PPh3-Catalyzed [3 + 2] Spiroannulation of 1C,3N-Bisnucleophiles Derived from Secondary β-Ketoamides with δ-Acetoxy Allenoate: A Route to Functionalized Spiro N-Heterocyclic Derivatives.","Organic letters","2017","19","9","2382","2385","10.1021/acs.orglett.7b00910","","","0.71073","MoKα","","0.0754","0.0474","","","0.1317","0.1522","","","","","","0.916","","","","has coordinates","197497","2020-10-21","18:00:00",""
"1545881","8.4376","0.0011","10.1022","0.0012","13.0614","0.0015","98.593","0.004","92.973","0.004","100.142","0.004","1080.1","0.2","100","2","100","2","","","","","","","","4","P -1","-P 1","2","","","","- C24 H14 Co2 O6 -","- C24 H14 Co2 O6 -","- C48 H28 Co4 O12 -","2","1","","Wang, Gongbao; Lindeboom, Erik-Jan; Heerewaarden, Chris van; Minnaard, Adriaan J.","Synthesis of Ene-yne-enes by Nickel-Catalyzed Double SN2’ substitution of 1,6-Dichlorohexa-2,4-diyne","Catal. Sci. Technol.","2017","","","","","10.1039/C7CY00429J","","","0.71073","MoKα","","0.019","0.0178","","","0.0469","0.0478","","","","","","1.057","","","","has coordinates","195793","2020-10-21","18:00:00",""
"1545883","10.8783","0.0003","11.8013","0.0003","26.178","0.0008","90","","90","","90","","3360.68","0.16","100","2","100","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C36 H54 O6 -","- C36 H54 O6 -","- C144 H216 O24 -","4","1","","Guo, Yi; Zhang, Na; Chen, Chunmei; Huang, Jinfeng; Li, Xiao-Nian; Liu, Junjun; Zhu, Hucheng; Tong, Qingyi; Zhang, Jinwen; Luo, Zengwei; Xue, Yongbo; Zhang, Yonghui","Tricyclic Polyprenylated Acylphloroglucinols from St John's Wort, Hypericum perforatum.","Journal of natural products","2017","","","","","10.1021/acs.jnatprod.6b01178","","","1.54178","CuKα","","0.0333","0.033","","","0.0875","0.0878","","","","","","1.088","","","","has coordinates","195821","2020-10-21","18:00:00",""
"1545884","12.542","0.004","5.445","0.0017","15.507","0.004","90","","94.578","0.006","90","","1055.6","0.5","293","2","293","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C23 H23 N O4 S -","- C23 H23 N O4 S -","- C46 H46 N2 O8 S2 -","2","1","","Yuan, Xiaoqian; Dong, Shupeng; Liu, Zhen; Wu, Guibing; Zou, Chuncheng; Ye, Jinxing","Enantioselective Michael Addition of Photogenerated o-Quinodimethanes to Enones Catalyzed by Chiral Amino Acid Esters.","Organic letters","2017","19","9","2322","2325","10.1021/acs.orglett.7b00862","","","0.71073","MoKα","","0.0511","0.0442","","","0.1088","0.1131","","","","","","1.034","","","","has coordinates","197489","2020-10-21","18:00:00",""
"1545885","8.0035","0.0007","9.1507","0.0008","9.4828","0.0008","90","","98.897","0.003","90","","686.14","0.1","100","2","100","2","","","","","","","","3","P 1 21 1","P 2yb","4","","","","- C16 H22 O2 -","- C16 H22 O2 -","- C32 H44 O4 -","2","1","","Schneider, Lisa M.; Schmiedel, Volker M.; Pecchioli, Tommaso; Lentz, Dieter; Merten, Christian; Christmann, Mathias","Asymmetric Synthesis of Carbocyclic Propellanes.","Organic letters","2017","","","","","10.1021/acs.orglett.7b00836","","","1.54178","CuKα","","0.0414","0.0403","","","0.0988","0.0999","","","","","","1.05","","","","has coordinates,has disorder","195824","2020-10-21","18:00:00",""
"1545886","7.3483","0.0004","12.121","0.0007","18.3918","0.001","90","","90","","90","","1638.13","0.16","100","2","100","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C19 H19 Br O3 -","- C19 H19 Br O3 -","- C76 H76 Br4 O12 -","4","1","","Schneider, Lisa M.; Schmiedel, Volker M.; Pecchioli, Tommaso; Lentz, Dieter; Merten, Christian; Christmann, Mathias","Asymmetric Synthesis of Carbocyclic Propellanes.","Organic letters","2017","","","","","10.1021/acs.orglett.7b00836","","","0.71073","MoKα","","0.0313","0.0262","","","0.0538","0.0553","","","","","","1.046","","","","has coordinates","195825","2020-10-21","18:00:00",""
"1545887","7.3394","0.0005","12.4108","0.0008","14.7998","0.0013","107.312","0.005","100.068","0.005","91.14","0.005","1263.48","0.17","100","2","100","2","","","","","","","","4","P 1","P 1","1","","","","- C28 H28 N2 O10 -","- C28 H28 N2 O10 -","- C56 H56 N4 O20 -","2","2","","Schneider, Lisa M.; Schmiedel, Volker M.; Pecchioli, Tommaso; Lentz, Dieter; Merten, Christian; Christmann, Mathias","Asymmetric Synthesis of Carbocyclic Propellanes.","Organic letters","2017","","","","","10.1021/acs.orglett.7b00836","","","1.54178","CuKα","","0.051","0.0466","","","0.1219","0.1261","","","","","","1.037","","","","has coordinates","195826","2020-10-21","18:00:00",""
"1545888","8.6354","0.0004","9.6432","0.0004","14.338","0.0007","100.662","0.003","96.56","0.002","112.543","0.002","1060.91","0.09","90","0.5","90","0.5","","","","","","","","5","P -1","-P 1","2","","","","- C25 H25 N O2 S2 -","- C25 H25 N O2 S2 -","- C50 H50 N2 O4 S4 -","2","1","","Saputra, Mirza A.; Dange, Nitin S.; Cleveland, Alexander H.; Malone, Joshua A.; Fronczek, Frank R.; Kartika, Rendy","Regioselective Functionalization of Enamides at the α-Carbon via Unsymmetrical 2-Amidoallyl Cations.","Organic letters","2017","19","9","2414","2417","10.1021/acs.orglett.7b00962","","","0.71073","MoKα","","0.0426","0.0346","","","0.0904","0.095","","","","","","1.047","","","","has coordinates","197498","2020-10-21","18:00:00",""
"1545889","8.3336","0.0017","20.386","0.004","12.286","0.003","90","","100.225","0.012","90","","2054.1","0.8","90","0.5","90","0.5","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C21 H19 F6 N O3 S -","- C21 H19 F6 N O3 S -","- C84 H76 F24 N4 O12 S4 -","4","1","","Saputra, Mirza A.; Dange, Nitin S.; Cleveland, Alexander H.; Malone, Joshua A.; Fronczek, Frank R.; Kartika, Rendy","Regioselective Functionalization of Enamides at the α-Carbon via Unsymmetrical 2-Amidoallyl Cations.","Organic letters","2017","19","9","2414","2417","10.1021/acs.orglett.7b00962","","","0.71073","MoKα","","0.0809","0.0548","","","0.1307","0.1435","","","","","","1.045","","","","has coordinates","197498","2020-10-21","18:00:00",""
"1545890","6.0294","0.0002","32.1226","0.0012","8.9796","0.0004","90","","100.835","0.002","90","","1708.16","0.11","90","0.5","90","0.5","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C19 H21 N O3 S -","- C19 H21 N O3 S -","- C76 H84 N4 O12 S4 -","4","1","","Saputra, Mirza A.; Dange, Nitin S.; Cleveland, Alexander H.; Malone, Joshua A.; Fronczek, Frank R.; Kartika, Rendy","Regioselective Functionalization of Enamides at the α-Carbon via Unsymmetrical 2-Amidoallyl Cations.","Organic letters","2017","19","9","2414","2417","10.1021/acs.orglett.7b00962","","","0.71073","MoKα","","0.0598","0.047","","","0.1115","0.1173","","","","","","1.091","","","","has coordinates","197498","2020-10-21","18:00:00",""
"1545891","12.193","0.0005","15.497","0.0007","28.3046","0.0013","90","","93.718","0.003","90","","5337","0.4","90","0.5","90","0.5","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C33 H30 N2 O2 S -","- C33 H30 N2 O2 S -","- C264 H240 N16 O16 S8 -","8","2","","Saputra, Mirza A.; Dange, Nitin S.; Cleveland, Alexander H.; Malone, Joshua A.; Fronczek, Frank R.; Kartika, Rendy","Regioselective Functionalization of Enamides at the α-Carbon via Unsymmetrical 2-Amidoallyl Cations.","Organic letters","2017","19","9","2414","2417","10.1021/acs.orglett.7b00962","","","1.54184","CuKα","","0.0689","0.0618","","","0.1605","0.1649","","","","","","1.122","","","","has coordinates","197498","2020-10-21","18:00:00",""
"1545892","8.6014","0.001","15.9764","0.0017","18.922","0.002","65.929","0.006","81.466","0.006","88.644","0.007","2345.9","0.5","90","0.5","90","0.5","","","","","","","","5","P -1","-P 1","2","","","","- C28 H28 N2 O2 S -","- C28 H28 N2 O2 S -","- C112 H112 N8 O8 S4 -","4","2","","Saputra, Mirza A.; Dange, Nitin S.; Cleveland, Alexander H.; Malone, Joshua A.; Fronczek, Frank R.; Kartika, Rendy","Regioselective Functionalization of Enamides at the α-Carbon via Unsymmetrical 2-Amidoallyl Cations.","Organic letters","2017","19","9","2414","2417","10.1021/acs.orglett.7b00962","","","0.71073","MoKα","","0.1814","0.0686","","","0.1423","0.1867","","","","","","0.922","","","","has coordinates","197498","2020-10-21","18:00:00",""
"1545893","11.7663","0.0003","11.7663","0.0003","7.5184","0.0003","90","","90","","90","","1040.89","0.06","173","2","173","2","","","","","","","","5","P 42/n","-P 4bc","86","","","","- C4 H12 Cu2 I2 N2 -","- C4 H12 Cu2 I2 N2 -","- C16 H48 Cu8 I8 N8 -","4","","","Jin, Xiaodong; Davies, Robert P.","Copper-catalysed aromatic-Finkelstein reactions with amine-based ligand systems","Catal. Sci. Technol.","2017","","","","","10.1039/C7CY00538E","","","0.71073","MoKα","","0.0333","0.0263","","","0.0452","0.0469","","","","","","1.044","","","","has coordinates","195832","2020-10-21","18:00:00",""
"1545894","9.18796","0.00019","12.5494","0.0003","35.7355","0.0007","90","","90","","90","","4120.42","0.15","173","2","173","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C20 H65 Cu2 I4 N15 -","- C20 H65 Cu2 I4 N15 -","- C80 H260 Cu8 I16 N60 -","4","1","","Jin, Xiaodong; Davies, Robert P.","Copper-catalysed aromatic-Finkelstein reactions with amine-based ligand systems","Catal. Sci. Technol.","2017","","","","","10.1039/C7CY00538E","","","0.71073","MoKα","","0.0351","0.0296","","","0.0423","0.0441","","","","","","1.003","","","","has coordinates,has disorder","195832","2020-10-21","18:00:00",""
"1545895","13.3569","0.001","11.5554","0.0008","11.4189","0.0009","90","","95.026","0.007","90","","1755.7","0.2","173","2","173","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C8 H24 Cu2 I2 N4 -","- C8 H24 Cu2 I2 N4 -","- C32 H96 Cu8 I8 N16 -","4","1","","Jin, Xiaodong; Davies, Robert P.","Copper-catalysed aromatic-Finkelstein reactions with amine-based ligand systems","Catal. Sci. Technol.","2017","","","","","10.1039/C7CY00538E","","","0.71073","MoKα","","0.0648","0.0436","","","0.1533","0.1608","","","","","","1.115","","","","has coordinates","195832","2020-10-21","18:00:00",""
"1545898","9.3782","0.0012","11.6315","0.0015","17.149","0.002","90","","90","","90","","1870.7","0.4","120","2","120","","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C22 H23 N O2 Si -","- C22 H23 N O2 Si -","- C88 H92 N4 O8 Si4 -","4","1","","Rodriguez, Kevin X.; Kaltwasser, Nicolai; Toni, Tiffany A.; Ashfeld, Brandon L.","Rearrangement of an Intermediate Cyclopropyl Ketene in a Rh(II)-Catalyzed Formal [4 + 1]-Cycloaddition Employing Vinyl Ketenes as 1,4-Dipoles and Donor-Acceptor Metallocarbenes.","Organic letters","2017","19","10","2482","2485","10.1021/acs.orglett.7b00618","","","0.71073","MoKα","","0.0295","0.0285","","","0.0727","0.0734","","","","","","1.032","","","","has coordinates,has disorder","197480","2020-10-21","18:00:00",""
"1545899","16.6451","0.0018","5.8536","0.0006","19.416","0.002","90","","113.818","0.005","90","","1730.7","0.3","100","2","100","2","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","","","- C20 H24 N2 -","- C20 H24 N2 -","- C80 H96 N8 -","4","1","","Zhou, Rong; Liu, Haiwang; Tao, Hairong; Yu, Xingjian; Wu, Jie","Metal-free direct alkylation of unfunctionalized allylic/benzylic sp3 CH bonds via photoredox induced radical cation deprotonation","Chem. Sci.","2017","","","","","10.1039/C7SC00953D","","","1.54178","CuKα","","0.1297","0.0794","","","0.1965","0.2432","","","","","","1.032","","","","has coordinates","195860","2020-10-21","18:00:00",""
"1545900","5.4583","0.0003","10.396","0.0006","19.0896","0.001","90","","98.026","0.006","90","","1072.62","0.1","293","2","293.15","","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C25 H31 N O2 -","- C25 H31 N O2 -","- C50 H62 N2 O4 -","2","1","","Qin, Linlin; Ren, Lei; Wan, Songlin; Liu, Guoliang; Luo, Xinfeng; Liu, Zhenhong; Li, Fangqiong; Yu, Yan; Liu, Jianyu; Wei, Yonggang","Design, Synthesis, and Evaluation of Novel 2,6-Disubstituted Phenol Derivatives as General Anesthetics.","Journal of medicinal chemistry","2017","60","9","3606","3617","10.1021/acs.jmedchem.7b00254","","x-ray","0.71073","MoKα","","0.0727","0.0509","","","0.1075","0.1217","","","","","","1.054","","","","has coordinates","197450","2020-10-21","18:00:00",""
"1545901","6.1077","0.0007","15.287","0.002","21.901","0.002","90","","90","","90","","2044.9","0.4","293","2","293.15","","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C22 H28 O4 -","- C22 H28 O4 -","- C88 H112 O16 -","4","1","","Zhang, Chen; Li, Fangqiong; Yu, Yan; Huang, Anbang; He, Ping; Lei, Ming; Wang, Jianmin; Huang, Longbin; Liu, Zhenhong; Liu, Jianyu; Wei, Yonggang","Design, Synthesis, and Evaluation of a Series of Novel Benzocyclobutene Derivatives as General Anesthetics.","Journal of medicinal chemistry","2017","","","","","10.1021/acs.jmedchem.7b00253","","x-ray","0.71073","MoKα","","0.109","0.072","","","0.1654","0.201","","","","","","1.045","","","","has coordinates","195873","2020-10-21","18:00:00",""
"1545902","10.0156","0.0008","6.613","0.0005","15.9543","0.0011","90","","91.121","0.007","90","","1056.5","0.14","293","2","293.15","","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C23 H27 N O4 -","- C23 H27 N O4 -","- C46 H54 N2 O8 -","2","1","","Zhang, Chen; Li, Fangqiong; Yu, Yan; Huang, Anbang; He, Ping; Lei, Ming; Wang, Jianmin; Huang, Longbin; Liu, Zhenhong; Liu, Jianyu; Wei, Yonggang","Design, Synthesis, and Evaluation of a Series of Novel Benzocyclobutene Derivatives as General Anesthetics.","Journal of medicinal chemistry","2017","","","","","10.1021/acs.jmedchem.7b00253","","x-ray","0.71073","MoKα","","0.0679","0.0484","","","0.1005","0.1124","","","","","","1.076","","","","has coordinates","195874","2020-10-21","18:00:00",""
"1545903","28.3676","0.0005","12.0527","0.0002","11.4928","0.0002","90","","91.5907","0.001","90","","3927.94","0.12","123","","123","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C20 H19 Br N2 O4 -","- C20 H19 Br N2 O4 -","- C160 H152 Br8 N16 O32 -","8","2","","Suzuki, Itaru; Tsunoi, Shinji; Shibata, Ikuya","Catalytic Annulation of Diethyl Methylenecyclopropane-1,1-dicarboxylate with 1,1-Dicyanoalkenes.","Organic letters","2017","19","10","2690","2693","10.1021/acs.orglett.7b01023","","","1.54187","CuKα","","","0.0613","","","","0.1498","","","","","","1.007","","","","has coordinates","197479","2020-10-21","18:00:00",""
"1545904","9.7973","0.0016","25.876","0.004","18.478","0.003","90","","93.768","0.003","90","","4674.3","1.3","100","2","100","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C50 H81 Li O2 -","- C50 H81 Li O2 -","- C200 H324 Li4 O8 -","4","1","","Bukhryakov, Konstantin V.; Schrock, Richard R.; Hoveyda, Amir H.; Müller, Peter; Becker, Jonathan","Synthesis of 2,6-Hexa-tert-butylterphenyl Derivatives, 2,6-(2,4,6-t-Bu3C6H2)2C6H3X, where X = I, Li, OH, SH, N3, or NH2","Organic Letters","2017","","","","","10.1021/acs.orglett.7b01062","","","0.71073","MoKα","","0.0941","0.0702","","","0.1658","0.1795","","","","","","1.064","","","","has coordinates","195886","2020-10-21","18:00:00",""
"1545905","19.931","0.004","65.396","0.014","18.862","0.004","90","","90","","90","","24585","9","100","2","100","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C126 H183 Cl6 O3 W1.5 -","- C126 H183 Cl6 O3 W1.5 -","- C1008 H1464 Cl48 O24 W12 -","8","1","","Bukhryakov, Konstantin V.; Schrock, Richard R.; Hoveyda, Amir H.; Müller, Peter; Becker, Jonathan","Synthesis of 2,6-Hexa-tert-butylterphenyl Derivatives, 2,6-(2,4,6-t-Bu3C6H2)2C6H3X, where X = I, Li, OH, SH, N3, or NH2","Organic Letters","2017","","","","","10.1021/acs.orglett.7b01062","","","0.71073","MoKα","","0.1796","0.1707","","","0.4547","0.4625","","","","","","1.274","","","","has coordinates,has disorder","195886","2020-10-21","18:00:00",""
"1545906","13.3441","0.0006","6.3849","0.0002","16.136","0.0007","90","","95.366","0.002","90","","1368.77","0.1","100","2","99.98","","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C28 H31 Br N2 O5 S2 -","- C28 H31 Br N2 O5 S2 -","- C56 H62 Br2 N4 O10 S4 -","2","1","","Möller, Guido P; Müller, Steffen; Wolfstädter, Bernd T; Wolfrum, Susanne; Schepmann, Dirk; Wünsch, Bernhard; Carreira, Erick M.","Oxetanyl Amino Acids for Peptidomimetics.","Organic letters","2017","19","10","2510","2513","10.1021/acs.orglett.7b00745","","","0.71073","MoKα","","0.0302","0.0249","","","0.0543","0.0554","","","","","","0.983","","","","has coordinates","197486","2020-10-21","18:00:00",""
"1545907","5.4302","0.0004","15.9643","0.0012","19.0144","0.0014","90","","90","","90","","1648.3","0.2","100","","99.99","","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C14 H28 N2 O3 S -","- C14 H28 N2 O3 S -","- C56 H112 N8 O12 S4 -","4","1","","Möller, Guido P; Müller, Steffen; Wolfstädter, Bernd T; Wolfrum, Susanne; Schepmann, Dirk; Wünsch, Bernhard; Carreira, Erick M.","Oxetanyl Amino Acids for Peptidomimetics.","Organic letters","2017","19","10","2510","2513","10.1021/acs.orglett.7b00745","","x-ray","0.71073","MoKα","K-L~3~","0.0284","0.0268","","","0.0723","0.0747","","","","","","1.097","","","","has coordinates","197486","2020-10-21","18:00:00",""
"1545908","9.4796","0.0009","15.2993","0.0014","15.5434","0.0014","89.381","0.001","78.419","0.001","77.883","0.001","2158","0.3","130","2","130","2","","","","","","","","7","P -1","-P 1","2","","","","- C41 H59 Br N6 Ni O Si3 -","- C41 H59 Br N6 Ni O Si3 -","- C82 H118 Br2 N12 Ni2 O2 Si6 -","2","1","","Ruccolo, Serge; Rauch, Michael; Parkin, Gerard","Tris[(1-isopropylbenzimidazol-2-yl)dimethylsilyl]methyl metal complexes, [TismPriBenz]M: a new class of metallacarbatranes, isomerization to a tris(N-heterocyclic carbene) derivative, and evidence for an inverted ligand field","Chem. Sci.","2017","","","","","10.1039/C7SC00499K","","","0.71073","MoKα","","0.0618","0.0398","","","0.0922","0.1003","","","","","","1.057","","","","has coordinates","195898","2020-10-21","18:00:00",""
"1545909","16.4836","0.0019","16.4836","0.0019","26.069","0.003","90","","90","","120","","6134.2","1.2","130","2","130","2","","","","","","","","5","R -3 :H","-R 3","148","","","","- C40 H54 Cu N6 Si3 -","- C40 H54 Cu N6 Si3 -","- C240 H324 Cu6 N36 Si18 -","6","0.333333","","Ruccolo, Serge; Rauch, Michael; Parkin, Gerard","Tris[(1-isopropylbenzimidazol-2-yl)dimethylsilyl]methyl metal complexes, [TismPriBenz]M: a new class of metallacarbatranes, isomerization to a tris(N-heterocyclic carbene) derivative, and evidence for an inverted ligand field","Chem. Sci.","2017","","","","","10.1039/C7SC00499K","","","0.71073","MoKα","","0.0358","0.0325","","","0.0861","0.0903","","","","","","0.96","","","","has coordinates","215051","2020-10-21","18:00:00",""
"1545910","12.834","0.0011","17.1903","0.0015","20.4108","0.0018","90","","98.1684","0.0013","90","","4457.4","0.7","130","2","130","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C44 H60 Mg N6 Si3 -","- C44 H60 Mg N6 Si3 -","- C176 H240 Mg4 N24 Si12 -","4","1","","Ruccolo, Serge; Rauch, Michael; Parkin, Gerard","Tris[(1-isopropylbenzimidazol-2-yl)dimethylsilyl]methyl metal complexes, [TismPriBenz]M: a new class of metallacarbatranes, isomerization to a tris(N-heterocyclic carbene) derivative, and evidence for an inverted ligand field","Chem. Sci.","2017","","","","","10.1039/C7SC00499K","","","0.71073","MoKα","","0.0527","0.0408","","","0.103","0.1121","","","","","","1.025","","","","has coordinates,has disorder","195898","2020-10-21","18:00:00",""
"1545911","20.191","0.002","20.191","0.002","20.191","0.002","90","","90","","90","","8231.4","1.4","130","2","130","2","","","","","","","","5","I 2 3","I 2 2 3","197","","","","- C37 H51 Li N6 Si3 -","- C37 H51 Li N6 Si3 -","- C296 H408 Li8 N48 Si24 -","8","0.333333","","Ruccolo, Serge; Rauch, Michael; Parkin, Gerard","Tris[(1-isopropylbenzimidazol-2-yl)dimethylsilyl]methyl metal complexes, [TismPriBenz]M: a new class of metallacarbatranes, isomerization to a tris(N-heterocyclic carbene) derivative, and evidence for an inverted ligand field","Chem. Sci.","2017","","","","","10.1039/C7SC00499K","","","0.71073","MoKα","","0.0558","0.0438","","","0.1164","0.1285","","","","","","0.953","","","","has coordinates","195898","2020-10-21","18:00:00",""
"1545912","10.1605","0.001","15.4631","0.0016","15.8502","0.0016","65.3205","0.0014","86.4167","0.0016","79.4613","0.0015","2224.4","0.4","130","2","130","2","","","","","","","","4","P -1","-P 1","2","","","","- C46 H61 N6 Si3 -","- C46 H61 N6 Si3 -","- C92 H122 N12 Si6 -","2","1","","Ruccolo, Serge; Rauch, Michael; Parkin, Gerard","Tris[(1-isopropylbenzimidazol-2-yl)dimethylsilyl]methyl metal complexes, [TismPriBenz]M: a new class of metallacarbatranes, isomerization to a tris(N-heterocyclic carbene) derivative, and evidence for an inverted ligand field","Chem. Sci.","2017","","","","","10.1039/C7SC00499K","","","0.71073","MoKα","","0.0689","0.055","","","0.1339","0.1402","","","","","","1.09","","","","has coordinates","195898","2020-10-21","18:00:00",""
"1545913","11.1387","0.0006","12.298","0.0007","17.7675","0.001","79.0698","0.0009","75.102","0.0009","65.8782","0.0009","2136.8","0.2","130","2","130","2","","","","","","","","5","P -1","-P 1","2","","","","- C41 H57 N6 Si3 Zn -","- C41 H57 N6 Si3 Zn -","- C82 H114 N12 Si6 Zn2 -","2","1","","Ruccolo, Serge; Rauch, Michael; Parkin, Gerard","Tris[(1-isopropylbenzimidazol-2-yl)dimethylsilyl]methyl metal complexes, [TismPriBenz]M: a new class of metallacarbatranes, isomerization to a tris(N-heterocyclic carbene) derivative, and evidence for an inverted ligand field","Chem. Sci.","2017","","","","","10.1039/C7SC00499K","","","0.71073","MoKα","","0.117","0.0602","","","0.1248","0.1496","","","","","","1.038","","","","has coordinates","195898","2020-10-21","18:00:00",""
"1545914","12.702","0.003","18.819","0.005","18.915","0.005","90","","105.63","0.004","90","","4354.2","1.9","130","2","130","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C43 H57 Br N6 Ni Si3 -","- C43 H57 Br N6 Ni Si3 -","- C172 H228 Br4 N24 Ni4 Si12 -","4","1","","Ruccolo, Serge; Rauch, Michael; Parkin, Gerard","Tris[(1-isopropylbenzimidazol-2-yl)dimethylsilyl]methyl metal complexes, [TismPriBenz]M: a new class of metallacarbatranes, isomerization to a tris(N-heterocyclic carbene) derivative, and evidence for an inverted ligand field","Chem. Sci.","2017","","","","","10.1039/C7SC00499K","","","0.71073","MoKα","","0.158","0.062","","","0.1074","0.1354","","","","","","0.999","","","","has coordinates","195898","2020-10-21","18:00:00",""
"1545915","20.1294","0.0017","20.1294","0.0017","20.1294","0.0017","90","","90","","90","","8156.3","1.2","130","2","130","2","","","","","","","","5","I 2 3","I 2 2 3","197","","","","- C37 H51 Cu N6 Si3 -","- C37 H51 Cu N6 Si3 -","- C296 H408 Cu8 N48 Si24 -","8","0.333333","","Ruccolo, Serge; Rauch, Michael; Parkin, Gerard","Tris[(1-isopropylbenzimidazol-2-yl)dimethylsilyl]methyl metal complexes, [TismPriBenz]M: a new class of metallacarbatranes, isomerization to a tris(N-heterocyclic carbene) derivative, and evidence for an inverted ligand field","Chem. Sci.","2017","","","","","10.1039/C7SC00499K","","","0.71073","MoKα","","0.0874","0.0511","","","0.1043","0.1177","","","","","","1.022","","","","has coordinates","195898","2020-10-21","18:00:00",""
"1545918","5.49","","5.49","","13.387","","90","","90","","120","","349.429","","","","","","","","","","","","","4","R 3 c :H","R 3 -2""c","161","Bismuth Sodium Titanate","BNT","","- Bi0.5 Na0.5 O9 Ti -","- Bi0.5 Na0.5 O9 Ti -","- Bi3 Na3 O54 Ti6 -","6","0.333333","","Mahmood, Natheer B.; Al-Shakarchi, Emad K.","Simulation and Experimental data of P-E Hysteresis Loop in BNT and BKT","Journal of Modern Physics","2017","8","5","844","851","10.4236/jmp.2017.85053","","","","","","1","1","","","","","","","","","","","","","","has coordinates","201368","2020-10-21","18:00:00",""
"1545919","3.9071","","3.9071","","3.9571","","90","","90","","90","","60.407","","","","","","","","","","","","","4","P 4 m m","P 4 -2","99","Bi0.5K0.5TiO3","","BKT","- Bi0.5 K0.5 O3 Ti -","- Bi0.5 K0.5 O3 Ti -","- Bi0.5 K0.5 O3 Ti -","1","0.125","","Mahmood, Natheer B.; Al-Shakarchi, Emad K.","Simulation and Experimental data of P-E Hysteresis Loop in BNT and BKT","Journal of Modern Physics","2017","8","5","844","851","10.4236/jmp.2017.85053","","","","","","","","","","","","","","","","","","","","","has coordinates","201368","2020-10-21","18:00:00",""
"1545920","15.402","0.004","17.812","0.004","18.047","0.005","87.569","0.006","85.646","0.005","71.376","0.005","4677","2","173","","173","","","","","","","","","7","P -1","-P 1","2","","","","- C181 H119 Cl15 N16 O22 P6 Zr4 -","- C181 H119 Cl15 N16 O22 P6 Zr4 -","- C181 H119 Cl15 N16 O22 P6 Zr4 -","1","0.5","","Yagi, Yuma; Masaki, Shuhei; Iwata, Tetsuki; Nakane, Daisuke; Yasui, Takashi; Yuchi, Akio","Triphosphate Ion-Selective Electrode Based on Zr-Porphyrin Complex.","Analytical chemistry","2017","89","7","3937","3942","10.1021/acs.analchem.6b03754","","","0.7107","MoKα","","","0.1012","","","","0.2925","","","","","","1.609","","","","has coordinates","195934","2020-10-21","18:00:00",""
"1545922","9.0661","0.0008","10.4931","0.0009","34.221","0.003","90","","90","","90","","3255.5","0.5","298","2","298","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C37 H39 N O5 -","- C37 H39 N O5 -","- C148 H156 N4 O20 -","4","1","","Tan, Liang; Tao, Yunliang; Wang, Ting; Zou, Feng; Zhang, Shuhua; Kou, Qunhuan; Niu, Ao; Chen, Qian; Chu, Wenjing; Chen, Xiaoyan; Wang, Haidong; Yang, Yushe","Discovery of Novel Pyridone-Conjugated Monosulfactams as Potent and Broad-Spectrum Antibiotics for Multidrug-Resistant Gram-Negative Infections.","Journal of medicinal chemistry","2017","60","7","2669","2684","10.1021/acs.jmedchem.6b01261","","","1.54178","CuKα","","0.099","0.0937","","","0.2667","0.2754","","","","","","1.199","","","","has coordinates","196011","2020-10-21","18:00:00",""
"1545923","12.5069","0.0016","23.641","0.003","25.417","0.003","90","","98.788","0.002","90","","7427","1.6","296","","296.15","","","","","","","","","3","P 1 21 1","P 2yb","4","","","","- C37 H60 O11 -","- C37 H56.75 O11 -","- C296 H454 O88 -","8","4","","Wang, Luo-Yi; Qin, Jun-Jun; Chen, Zhen-Hua; Zhou, Yu; Tang, Wei; Zuo, Jian-Ping; Zhao, Wei-Min","Absolute Configuration of Periplosides C and F and Isolation of Minor Spiro-orthoester Group-Containing Pregnane-type Steroidal Glycosides from Periploca sepium and Their T-Lymphocyte Proliferation Inhibitory Activities.","Journal of natural products","2017","80","4","1102","1109","10.1021/acs.jnatprod.7b00017","","","0.71073","MoKα","","0.1501","0.0761","","","0.1596","0.1886","","","","","","0.977","","","","has coordinates,has disorder","217633","2020-10-21","18:00:00",""
"1545924","9.7656","0.0001","6.1628","0.0001","15.4441","0.0002","90","","101.53","0.001","90","","910.72","0.02","273","2","273.15","","","","","","","","","3","P 1 21 1","P 2yb","4","","","","- C20 H24 O5 -","- C20 H24 O5 -","- C40 H48 O10 -","2","1","","Liu, Ye; Yu, Heng-Yi; Wang, Yan-Mei; Tian, Tian; Wu, Wen-Ming; Zhou, Ming; Meng, Xiang-Gao; Ruan, Han-Li","Neuroprotective Lignans from the Fruits of Schisandra bicolor var. tuberculata.","Journal of natural products","2017","80","4","1117","1124","10.1021/acs.jnatprod.7b00035","","","1.54178","CuKα","","0.0364","0.0357","","","0.0989","0.0995","","","","","","1.077","","","","has coordinates","196013","2020-10-21","18:00:00",""
"1545925","11.0269","0.0003","13.3801","0.0003","16.14","0.0004","90","","90","","90","","2381.31","0.1","273.15","","273.15","","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C25 H30 Cl2 O6 -","- C25 H30 Cl2 O6 -","- C100 H120 Cl8 O24 -","4","1","","Kong, Fan-Dong; Ma, Qing-Yun; Huang, Sheng-Zhuo; Wang, Pei; Wang, Jun-Feng; Zhou, Li-Man; Yuan, Jing-Zhe; Dai, Hao-Fu; Zhao, You-Xing","Chrodrimanins K-N and Related Meroterpenoids from the Fungus Penicillium sp. SCS-KFD09 Isolated from a Marine Worm, Sipunculus nudus.","Journal of natural products","2017","80","4","1039","1047","10.1021/acs.jnatprod.6b01061","","","1.54178","CuKα","","0.0786","0.0575","","","0.1103","0.1183","","","","","","1.081","","","","has coordinates","196014","2020-10-21","18:00:00",""
"1545926","7.75029","0.00012","34.4156","0.0005","9.25694","0.00017","90","","94.6142","0.0015","90","","2461.11","0.07","100","0.1","100","0.1","","","","","","","","2","P 1 21/n 1","-P 2yn","14","","","","- C32 H42 -","- C32 H42 -","- C128 H168 -","4","1","","Ivanov, Maxim V.; Thakur, Khushabu; Boddeda, Anitha; Wang, Denan; Rathore, Rajendra","Nodal Arrangement of HOMO Controls the Turning On/Off the Electronic Coupling in Isomeric Polypyrene Wires","The Journal of Physical Chemistry C","2017","121","17","9202","","10.1021/acs.jpcc.7b02264","","x-ray","1.54184","CuKα","","0.0504","0.0403","","","0.1106","0.1201","","","","","","1.071","","","","has coordinates","196035","2020-10-21","18:00:00",""
"1545927","5.9879","0.0008","12.983","0.0017","18.904","0.003","90","","90.542","0.002","90","","1469.5","0.4","143","2","143","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C18 H14 F3 N -","- C18 H14 F3 N -","- C72 H56 F12 N4 -","4","1","","Chen, Shuang; Li, Deng-Yuan; Jiang, Liang-Liang; Liu, Kai; Liu, Pei-Nian","Copper-Catalyzed Cascade Transformation of Homopropargyl Azides into Trifluoromethylated Nitriles via C-C Cleavage.","Organic letters","2017","19","8","2014","2017","10.1021/acs.orglett.7b00571","","","0.71073","MoKα","","0.0466","0.0363","","","0.089","0.0958","","","","","","1.019","","","","has coordinates","196061","2020-10-21","18:00:00",""
"1545928","4.7337","0.0002","6.2908","0.0002","33.7597","0.0012","90","","90","","90","","1005.32","0.06","290","2","290","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C10 H14 Cl N O -","- C10 H14 Cl N O -","- C40 H56 Cl4 N4 O4 -","4","1","","Wei, Yi; Zhang, Heng-Xia; Zeng, Jun-Liang; Nie, Jing; Ma, Jun-An","Organocatalytic Asymmetric Decarboxylative Amination of β-Keto Acids: Access to Optically Active α-Amino Ketones and 1,2-Amino Alcohols.","Organic letters","2017","19","8","2162","2165","10.1021/acs.orglett.7b00797","","","1.54184","CuKα","","0.0491","0.0476","","","0.1128","0.1134","","","","","","1.083","","","","has coordinates","196062","2020-10-21","18:00:00",""
"1545929","9.1478","0.0005","11.1509","0.0006","12.6918","0.0007","90","","90","","90","","1294.64","0.12","293","2","293","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C15 H15 Cl O2 -","- C15 H15 Cl O2 -","- C60 H60 Cl4 O8 -","4","1","","Jia, Zhi-Long; Wang, Yao; Zhao, Chuan-Gang; Zhang, Xiao-Hai; Xu, Peng-Fei","Highly Enantioselective Construction of Hajos-Wiechert Ketone Skeletons via an Organocatalytic Vinylogous Michael/Stetter Relay Sequence.","Organic letters","2017","19","8","2130","2133","10.1021/acs.orglett.7b00767","","","0.71073","MoKα","","0.0695","0.0479","","","0.0837","0.0968","","","","","","1.03","","","","has coordinates","196063","2020-10-21","18:00:00",""
"1545930","13.7906","0.0019","11.0012","0.0015","15.176","0.002","90","","106.407","0.002","90","","2208.6","0.5","293","2","293.15","","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C29 H25 B N2 O -","- C29 H25 B N2 O -","- C116 H100 B4 N8 O4 -","4","1","","Chen, Na; Zhang, Wenjie; Chen, Shun; Wu, Qinghua; Yu, Changjiang; Wei, Yun; Xu, Yuekang; Hao, Erhong; Jiao, Lijuan","Sterically Protected N2O-Type Benzopyrromethene Boron Complexes from Boronic Acids with Intense Red/Near-Infrared Fluorescence.","Organic letters","2017","19","8","2026","2029","10.1021/acs.orglett.7b00601","","","0.71073","MoKα","","0.1214","0.0616","","","0.1273","0.1485","","","","","","0.799","","","","has coordinates","196064","2020-10-21","18:00:00",""
"1545931","16.2687","0.0009","22.872","0.0012","9.2415","0.0004","90","","90","","90","","3438.7","0.3","293","2","293","2","","","","","","","","7","P 21 21 2","P 2 2ab","18","","","","- C33 H27 Br2 Cl3 D N3 O3 -","- C33 H27 Br2 Cl3 N3 O3 -","- C132 H108 Br8 Cl12 N12 O12 -","4","1","","Li, Nai-Kai; Zhang, Jun-Qi; Sun, Bing-Bing; Li, Hai-Yan; Wang, Xing-Wang","Chiral Diphosphine-Palladium-Catalyzed Sequential Asymmetric Double-Friedel-Crafts Alkylation and N-Hemiketalization for Spiro-polycyclic Indole Derivatives.","Organic letters","2017","19","8","1954","1957","10.1021/acs.orglett.7b00368","","","0.71073","MoKα","","0.1337","0.0837","","","0.1888","0.2138","","","","","","1.074","","","","has coordinates","196065","2020-10-21","18:00:00",""
"1545932","8.5702","0.0002","19.8368","0.0008","13.8839","0.0005","90","","93.903","0.003","90","","2354.86","0.14","100","2","100","2","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","","","- C32 H24 O8 -","- C32 H24 O8 -","- C128 H96 O32 -","4","1","","Zhang, Ai Hua; Liu, Wen; Jiang, Nan; Wang, Xin Lei; Wang, Gang; Xu, Qiang; Tan, Ren Xiang","Sequestration of Guest Intermediates by Dalesconol Bioassembly Lines in Daldinia eschscholzii.","Organic letters","2017","19","8","2142","2145","10.1021/acs.orglett.7b00786","","","1.54184","CuKα","","0.0654","0.0486","","","0.1334","0.1478","","","","","","1.024","","","","has coordinates","196066","2020-10-21","18:00:00",""
"1545933","13.7367","0.0001","8.5632","0.0001","19.5622","0.0002","90","","97.697","0.001","90","","2280.37","0.04","100","2","100","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C31 H22 O7 -","- C31 H22 O7 -","- C124 H88 O28 -","4","1","","Zhang, Ai Hua; Liu, Wen; Jiang, Nan; Wang, Xin Lei; Wang, Gang; Xu, Qiang; Tan, Ren Xiang","Sequestration of Guest Intermediates by Dalesconol Bioassembly Lines in Daldinia eschscholzii.","Organic letters","2017","19","8","2142","2145","10.1021/acs.orglett.7b00786","","","1.54184","CuKα","","0.0456","0.0437","","","0.1186","0.1205","","","","","","1.008","","","","has coordinates","196067","2020-10-21","18:00:00",""
"1545934","7.5261","0.0003","12.0151","0.0004","23.1016","0.0008","89.001","0.003","85.625","0.003","82.143","0.003","2063.31","0.13","100","2","100","2","","","","","","","","6","P -1","-P 1","2","","","","- C21 H25 B F2 N2 O4 -","- C21 H25 B F2 N2 O4 -","- C84 H100 B4 F8 N8 O16 -","4","2","","Patalag, Lukas J.; Ulrichs, Jan A.; Jones, Peter G.; Werz, Daniel B.","Decorated BODIPY Fluorophores and Thiol-Reactive Fluorescence Probes by an Aldol Addition.","Organic letters","2017","19","8","2090","2093","10.1021/acs.orglett.7b00693","","","1.54184","CuKα","","0.046","0.0419","","","0.1087","0.1115","","","","","","1.047","","","","has coordinates,has disorder","196068","2020-10-21","18:00:00",""
"1545935","26.0091","0.0005","6.2157","0.0001","15.4618","0.0002","90","","123.549","0.001","90","","2083.22","0.06","175","2","175","2","","","","","","","","5","C 1 c 1","C -2yc","9","","","","- C21 H22 N2 O6 S -","- C21 H22 N2 O6 S -","- C84 H88 N8 O24 S4 -","4","1","","Rajkumar, Sundaram; Clarkson, Guy J.; Shipman, Michael","Regio- and Stereocontrolled Synthesis of 3-Substituted 1,2-Diazetidines by Asymmetric Allylic Amination of Vinyl Epoxide.","Organic letters","2017","19","8","2058","2061","10.1021/acs.orglett.7b00653","","x-ray","1.54178","CuKα","","0.0297","0.0289","","","0.0811","0.0819","","","","","","1.066","","","","has coordinates","196069","2020-10-21","18:00:00",""
"1545936","10.4021","0.001","11.1735","0.0009","21.729","0.003","90","","98","0.011","90","","2500.9","0.5","100.01","0.1","100.01","0.1","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C11 H21 N3 -","- C11 H21 N3 -","- C88 H168 N24 -","8","2","","Jeanbourquin, Loïc N; Scopelliti, Rosario; Fadaei Tirani, Farzaneh; Severin, Kay","Synthesis and Reactivity of 1-Allenyltriazenes.","Organic letters","2017","19","8","2070","2073","10.1021/acs.orglett.7b00671","","x-ray","1.54184","CuKα","","0.1303","0.0949","","","0.2668","0.3074","","","","","","1.027","","","","has coordinates,has disorder","196070","2020-10-21","18:00:00",""
"1545937","10.4082","0.0005","7.7785","0.0003","19.6994","0.0009","90","","90","","90","","1594.87","0.12","150","0.1","150","0.1","","","","","","","","3","P c a 21","P 2c -2ac","29","","","","- C16 H23 N3 -","- C16 H23 N3 -","- C64 H92 N12 -","4","1","","Jeanbourquin, Loïc N; Scopelliti, Rosario; Fadaei Tirani, Farzaneh; Severin, Kay","Synthesis and Reactivity of 1-Allenyltriazenes.","Organic letters","2017","19","8","2070","2073","10.1021/acs.orglett.7b00671","","x-ray","1.54184","CuKα","","0.0335","0.0291","","","0.0716","0.0743","","","","","","1.073","","","","has coordinates","196071","2020-10-21","18:00:00",""
"1545938","27.621","0.006","7.7207","0.0016","12.441","0.002","90","","91.434","0.007","90","","2652.3","0.9","200","2","200","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C26 H48 O2 Si -","- C26 H48 O2 Si -","- C104 H192 O8 Si4 -","4","1","","Werner, Bettina; Kalesse, Markus","Pinacol Coupling Strategy for the Construction of the Bicyclo[6.4.1]tridecane Framework of Schiglautone A.","Organic letters","2017","19","7","1524","1526","10.1021/acs.orglett.7b00288","","","0.71073","MoKα","","0.1032","0.0555","","","0.1299","0.1483","","","","","","1.028","","","","has coordinates","214153","2020-10-21","18:00:00",""
"1545939","8.69815","0.00008","8.99657","0.00008","11.2368","0.00011","90","","99.4584","0.0009","90","","867.365","0.014","293","2","293","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C20 H23 N O3 -","- C20 H23 N O3 -","- C40 H46 N2 O6 -","2","1","","Ding, Qiang; Wang, Qiuyan; He, Huan; Cai, Qian","Asymmetric Synthesis of (-)-Pterocarine and (-)-Galeon via Chiral Phase Transfer-Catalyzed Atropselective Formation of Diarylether Cyclophane Skeleton.","Organic letters","2017","19","7","1804","1807","10.1021/acs.orglett.7b00570","","x-ray","1.54184","CuKα","","0.0364","0.0341","","","0.0886","0.0915","","","","","","1.072","","","","has coordinates","196073","2020-10-21","18:00:00",""
"1545940","18.154","0.009","19.79","0.01","13.725","0.008","90","","112.371","0.007","90","","4560","4","296","2","296","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C26 H26 N2 O3 S -","- C26 H26 N2 O3 S -","- C208 H208 N16 O24 S8 -","8","1","","Bai, Lu; Wang, Yan; Ge, Yicong; Liu, Jingjing; Luan, Xinjun","Diastereoselective Synthesis of Dibenzo[b,d]azepines by Pd(II)-Catalyzed [5 + 2] Annulation of o-Arylanilines with Dienes.","Organic letters","2017","19","7","1734","1737","10.1021/acs.orglett.7b00503","","","0.71073","MoKα","","0.1219","0.0554","","","0.1262","0.1697","","","","","","0.964","","","","has coordinates","196074","2020-10-21","18:00:00",""
"1545941","39.96","0.03","11.468","0.009","28.37","0.02","90","","134.78","","90","","9228","12","293","2","293","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C12 H13 Cl O -","- C12 H13 Cl O -","- C384 H416 Cl32 O32 -","32","4","","Shen, Yangyong; Huang, Bo; Zheng, Jing; Lin, Chen; Liu, Yu; Cui, Sunliang","Csp-Csp(3) Bond Formation via Iron(III)-Promoted Hydroalkynylation of Unactivated Alkenes.","Organic letters","2017","19","7","1744","1747","10.1021/acs.orglett.7b00499","","","0.71073","MoKα","","0.1729","0.0589","","","0.1239","0.162","","","","","","0.851","","","","has coordinates","196075","2020-10-21","18:00:00",""
"1545942","8.082","0.0016","23.635","0.005","5.257","0.0011","90","","100.75","0.03","90","","986.6","0.4","293","2","293","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C11 H14 O2 -","- C11 H14 O2 -","- C44 H56 O8 -","4","1","","Liu, Wei; Ren, Wenlong; Li, Jingfu; Shi, Yuan; Chang, Wenju; Shi, Yian","A Ligand-Directed Catalytic Regioselective Hydrocarboxylation of Aryl Olefins with Pd and Formic Acid.","Organic letters","2017","19","7","1748","1751","10.1021/acs.orglett.7b00507","","","0.71073","MoKα","","0.0967","0.0591","","","0.1562","0.1837","","","","","","1.005","","","","has coordinates","196076","2020-10-21","18:00:00",""
"1545943","9.793","0.003","12.819","0.004","11.666","0.003","90","","109.278","0.006","90","","1382.4","0.7","296","2","296","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C17 H12 Cl N O -","- C17 H12 Cl N O -","- C68 H48 Cl4 N4 O4 -","4","1","","Wang, Shun; Guo, Yong-Qiang; Ren, Zhi-Hui; Wang, Yao-Yu; Guan, Zheng-Hui","K2CO3-Mediated Cyclization and Rearrangement of γ,δ-Alkynyl Oximes To Form Pyridols.","Organic letters","2017","19","7","1574","1577","10.1021/acs.orglett.7b00389","","","0.71073","MoKα","","0.1212","0.0553","","","0.1092","0.1484","","","","","","0.995","","","","has coordinates","196077","2020-10-21","18:00:00",""
"1545944","10.013","0.003","5.4697","0.0017","11.876","0.004","90","","96.71","0.03","90","","646","0.4","296","2","296","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C14 H14 N4 S -","- C14 H14 N4 S -","- C28 H28 N8 S2 -","2","1","","Haidasz, Evan A.; Pratt, Derek A.","Diazaphenoxazines and Diazaphenothiazines: Synthesis of the ""Correct"" Isomers Reveals They Are Highly Reactive Radical-Trapping Antioxidants.","Organic letters","2017","19","7","1854","1857","10.1021/acs.orglett.7b00615","","","0.71073","MoKα","","0.0717","0.0432","","","0.0968","0.1086","","","","","","1.044","","","","has coordinates","196078","2020-10-21","18:00:00",""
"1545945","16.5759","0.0006","13.1086","0.0005","12.2124","0.0005","90","","108.101","0.002","90","","2522.27","0.17","100","2","100","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C60 H56 N4 O4 -","- C60 H56 N4 O4 -","- C120 H112 N8 O8 -","2","0.5","","Tominaga, Masahide; Takahashi, Eri; Ukai, Hiroyuki; Ohara, Kazuaki; Itoh, Tsutomu; Yamaguchi, Kentaro","Solvent-Dependent Self-Assembly and Crystal Structures of a Salen-Based Macrocycle.","Organic letters","2017","19","7","1508","1511","10.1021/acs.orglett.7b00264","","","1.54178","CuKα","","0.0496","0.0425","","","0.1126","0.12","","","","","","0.847","","","","has coordinates","196079","2020-10-21","18:00:00",""
"1545946","6.4551","0.0002","13.9906","0.0003","19.732","0.0006","90","","90","","90","","1782.01","0.09","150","","150","","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C19 H16 Cl2 N2 O4 -","- C19 H16 Cl2 N2 O4 -","- C76 H64 Cl8 N8 O16 -","4","1","","Gammack Yamagata, Adam D.; Dixon, Darren J.","Enantioselective Construction of the ABCDE Pentacyclic Core of the Strychnos Alkaloids.","Organic letters","2017","19","7","1894","1897","10.1021/acs.orglett.7b00669","","","1.54184","CuKα","","0.0495","0.0472","","0.1279","0.1257","0.1279","","","","","","0.9348","","","","has coordinates","196080","2020-10-21","18:00:00",""
"1545947","8.2596","0.0002","7.268","0.0002","13.7048","0.0005","90","","102.076","0.0015","90","","804.5","0.04","150","","150","","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C19 H22 N2 O3 -","- C19 H22 N2 O3 -","- C38 H44 N4 O6 -","2","1","","Gammack Yamagata, Adam D.; Dixon, Darren J.","Enantioselective Construction of the ABCDE Pentacyclic Core of the Strychnos Alkaloids.","Organic letters","2017","19","7","1894","1897","10.1021/acs.orglett.7b00669","","","0.71073","MoKα","","0.041","0.0361","","0.0915","0.0883","0.0915","","","","","","0.9932","","","","has coordinates","196080","2020-10-21","18:00:00",""
"1545948","14.5321","0.0014","4.2646","0.0005","17.6646","0.0019","90","","96.996","0.005","90","","1086.6","0.2","100","2","100","2","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","","","- C12 H14 O5 -","- C12 H14 O5 -","- C48 H56 O20 -","4","1","","Chan, Chieh-Kai; Tsai, Yu-Lin; Chang, Meng-Yang","CuI Mediated One-Pot Cycloacetalization/Ketalization of o-Carbonyl Allylbenzenes: Synthesis of Benzobicyclo[3.2.1]octane Core.","Organic letters","2017","19","7","1870","1873","10.1021/acs.orglett.7b00630","","","0.71073","MoKα","","0.0681","0.0543","","","0.1589","0.1879","","","","","","1.163","","","","has coordinates","196081","2020-10-21","18:00:00",""
"1545949","36.172","0.006","4.3144","0.0006","21.587","0.003","90","","125.607","0.003","90","","2739","0.7","100","2","100","2","","","","","","","","3","C 1 2/c 1","-C 2yc","15","","","","- C15 H20 O5 -","- C15 H20 O5 -","- C120 H160 O40 -","8","1","","Chan, Chieh-Kai; Tsai, Yu-Lin; Chang, Meng-Yang","CuI Mediated One-Pot Cycloacetalization/Ketalization of o-Carbonyl Allylbenzenes: Synthesis of Benzobicyclo[3.2.1]octane Core.","Organic letters","2017","19","7","1870","1873","10.1021/acs.orglett.7b00630","","","0.71073","MoKα","","0.0559","0.0383","","","0.0881","0.097","","","","","","1.026","","","","has coordinates","196082","2020-10-21","18:00:00",""
"1545950","12.6329","0.0003","15.5564","0.0004","16.0916","0.0004","96.072","0.001","105.849","0.001","94.847","0.001","3003.75","0.13","296","2","296","2","","","","","","","","3","P -1","-P 1","2","","","","- C18 H18 O4 -","- C18 H18 O4 -","- C144 H144 O32 -","8","4","","Chan, Chieh-Kai; Tsai, Yu-Lin; Chang, Meng-Yang","CuI Mediated One-Pot Cycloacetalization/Ketalization of o-Carbonyl Allylbenzenes: Synthesis of Benzobicyclo[3.2.1]octane Core.","Organic letters","2017","19","7","1870","1873","10.1021/acs.orglett.7b00630","","","0.71073","MoKα","","0.0753","0.0454","","","0.1289","0.1655","","","","","","1.054","","","","has coordinates","214153","2020-10-21","18:00:00",""
"1545951","9.5486","0.0005","14.0756","0.0009","5.967","0.0003","90","","105.349","0.002","90","","773.37","0.08","296","2","296","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C7 H7 N O2 S -","- C7 H7 N O2 S -","- C28 H28 N4 O8 S4 -","4","1","","Reddy, Mallu Kesava; Mallik, Sumitava; Ramakrishna, Isai; Baidya, Mahiuddin","Nitrosocarbonyl-Henry and Denitration Cascade: Synthesis of α-Ketoamides and α-Keto Oximes.","Organic letters","2017","19","7","1694","1697","10.1021/acs.orglett.7b00482","","","0.71073","MoKα","","0.0586","0.0441","","","0.1198","0.1301","","","","","","1.05","","","","has coordinates","196084","2020-10-21","18:00:00",""
"1545952","26.0702","0.0018","10.9823","0.0007","21.191","0.0012","90","","108.083","0.006","90","","5767.5","0.7","290.9","0.1","290.9","0.1","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C26 H38 N4 O4 Si -","- C26 H38 N4 O4 Si -","- C208 H304 N32 O32 Si8 -","8","1","","Wang, Taimin; Duan, Xiaoguang; Zhao, Hua; Zhai, Shengxian; Tao, Cheng; Wang, Huifei; Li, Yun; Cheng, Bin; Zhai, Hongbin","Asymmetric Total Synthesis of (-)-Aspidophylline A.","Organic letters","2017","19","7","1650","1653","10.1021/acs.orglett.7b00448","","","0.7107","MoKα","","0.1316","0.0697","","","0.1601","0.2063","","","","","","1.018","","","","has coordinates,has disorder","196085","2020-10-21","18:00:00",""
"1545953","7.9238","0.0005","11.0281","0.0008","25.0507","0.0018","90","","90","","90","","2189","0.3","301","2","301","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C27 H26 N2 O4 -","- C27 H26 N2 O4 -","- C108 H104 N8 O16 -","4","1","","Wang, Dan; Hou, Min; Ji, Yue; Gao, Shuanhu","Total Synthesis of Scholarisine K and Alstolactine A.","Organic letters","2017","19","7","1922","1925","10.1021/acs.orglett.7b00722","","","1.54178","CuKα","","0.1022","0.0924","","","0.2385","0.2474","","","","","","1.006","","","","has coordinates","196086","2020-10-21","18:00:00",""
"1545954","5.3333","0.0004","19.6192","0.0016","23.4352","0.0018","90","","90","","90","","2452.1","0.3","296","2","296","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C27 H24 F3 N O3 S -","- C27 H24 F3 N O3 S -","- C108 H96 F12 N4 O12 S4 -","4","1","","Wang, Huamin; Zhou, Wei; Tao, Mengna; Hu, Anjing; Zhang, Junliang","Functionalized Tetrahydropyridines by Enantioselective Phosphine-Catalyzed Aza-[4 + 2] Cycloaddition of N-Sulfonyl-1-aza-1,3-dienes with Vinyl Ketones.","Organic letters","2017","19","7","1710","1713","10.1021/acs.orglett.7b00489","","","0.71073","MoKα","","0.0597","0.0378","","","0.0778","0.087","","","","","","1.014","","","","has coordinates,has disorder","196087","2020-10-21","18:00:00",""
"1545955","5.521","0.003","17.785","0.008","9.852","0.005","90","","91.837","0.009","90","","966.9","0.8","296","","296","","","","","","","","","3","P 1 21 1","P 2yb","4","","","","- C22 H22 O6 -","- C22 H22 O6 -","- C44 H44 O12 -","2","1","","Zhou, Weiping; Ni, Chunjie; Chen, Jiangfei; Wang, Dong; Tong, Xiaofeng","Enantioselective Synthesis of 4H-Pyran via Amine-Catalyzed Formal (3 + 3) Annulation of δ-Acetoxy Allenoate.","Organic letters","2017","19","7","1890","1893","10.1021/acs.orglett.7b00658","","","0.71073","MoKα","","0.1601","0.0592","","","0.1217","0.1545","","","","","","0.927","","","","has coordinates","196088","2020-10-21","18:00:00",""
"1545956","18.8061","0.0009","5.9523","0.0002","13.3383","0.0006","90","","90.605","0.002","90","","1493","0.11","296","2","296","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C17 H13 N O3 Se -","- C17 H13 N O3 Se -","- C68 H52 N4 O12 Se4 -","4","1","","Dana, Suman; Mandal, Anup; Sahoo, Harekrishna; Baidya, Mahiuddin","Ru(II)-Catalyzed C-H Functionalization on Maleimides with Electrophiles: A Demonstration of Umpolung Strategy.","Organic letters","2017","19","7","1902","1905","10.1021/acs.orglett.7b00674","","","0.71073","MoKα","","0.055","0.0351","","","0.0658","0.0725","","","","","","1.027","","","","has coordinates","196089","2020-10-21","18:00:00",""
"1545957","7.6027","0.0003","16.7807","0.0006","21.1178","0.0005","90","","90","","90","","2694.18","0.16","173","0.1","173","0.1","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C32 H24 Br N3 O3 -","- C32 H24 Br N3 O3 -","- C128 H96 Br4 N12 O12 -","4","1","","Liu, Jin-Yu; Zhao, Jing; Zhang, Jia-Lu; Xu, Peng-Fei","Quaternary Carbon Center Forming Formal [3 + 3] Cycloaddition Reaction via Bifunctional Catalysis: Asymmetric Synthesis of Spirocyclohexene Pyrazolones.","Organic letters","2017","19","7","1846","1849","10.1021/acs.orglett.7b00610","","","0.7107","MoKα","","0.0635","0.0457","","","0.0775","0.0857","","","","","","1.014","","","","has coordinates","196090","2020-10-21","18:00:00",""
"1545958","7.6208","0.0003","21.2775","0.0007","11.1815","0.0004","90","","105.554","0.002","90","","1746.7","0.11","173","2","173","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C23 H13 F3 N2 O -","- C23 H13 F3 N2 O -","- C92 H52 F12 N8 O4 -","4","1","","Zhang, Ting-Yu; Lin, Jun-Bing; Li, Quan-Zhe; Kang, Jun-Chen; Pan, Jin-Long; Hou, Si-Hua; Chen, Chao; Zhang, Shu-Yu","Copper-Catalyzed Selective ortho-C-H/N-H Annulation of Benzamides with Arynes: Synthesis of Phenanthridinone Alkaloids.","Organic letters","2017","19","7","1764","1767","10.1021/acs.orglett.7b00442","","","1.54178","CuKα","","0.0533","0.0471","","","0.1264","0.1325","","","","","","1.02","","","","has coordinates","196091","2020-10-21","18:00:00",""
"1545959","9.8361","0.001","9.9871","0.001","12.5171","0.0014","98.404","0.009","92.358","0.009","94.506","0.008","1210.9","0.2","291.89","0.1","291.89","0.1","","","","","","","","3","P -1","-P 1","2","","","","- C27 H34 O3 -","- C27 H34 O3 -","- C54 H68 O6 -","2","1","","Zhang, Xiang-Zhi; Deng, Yu-Hua; Gan, Kang-Ji; Yan, Xu; Yu, Ke-Yin; Wang, Fang-Xin; Fan, Chun-An","Tandem Spirocyclopropanation/Rearrangement Reaction of Vinyl p-Quinone Methides with Sulfonium Salts: Synthesis of Spirocyclopentenyl p-Dienones.","Organic letters","2017","19","7","1752","1755","10.1021/acs.orglett.7b00516","","","0.71073","MoKα","","0.1509","0.0714","","","0.1608","0.2233","","","","","","1.036","","","","has coordinates","196092","2020-10-21","18:00:00",""
"1545960","27.36","0.006","6.8093","0.0014","25.381","0.005","90","","112.41","0.03","90","","4371.4","1.8","173.15","","173.15","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C39 H24 N12 O7 -","- C39 H24 N12 O7 -","- C156 H96 N48 O28 -","4","1","","Lu, Yao; Fu, Zhan-Da; Guo, Qing-Hui; Wang, Mei-Xiang","O6-Corona[6]arenes with Expanded Cavities for Specific Complexation with C70.","Organic letters","2017","19","7","1590","1593","10.1021/acs.orglett.7b00409","","","0.71073","MoKα","","0.1325","0.1059","","","0.3007","0.3263","","","","","","1.142","","","","has coordinates,has disorder","196093","2020-10-21","18:00:00",""
"1545961","11.034","0.004","13.836","0.005","19.748","0.007","105.366","0.005","101.194","0.005","101.131","0.003","2754.9","1.7","173.15","","173.15","","","","","","","","","5","P -1","-P 1","2","","","","- C60 H48 Cl6 N6 O6 -","- C60 H48 Cl6 N6 O6 -","- C120 H96 Cl12 N12 O12 -","2","1","","Lu, Yao; Fu, Zhan-Da; Guo, Qing-Hui; Wang, Mei-Xiang","O6-Corona[6]arenes with Expanded Cavities for Specific Complexation with C70.","Organic letters","2017","19","7","1590","1593","10.1021/acs.orglett.7b00409","","","0.71073","MoKα","","0.1233","0.0876","","","0.1873","0.2046","","","","","","1.138","","","","has coordinates,has disorder","196094","2020-10-21","18:00:00",""
"1545962","5.1414","0.0005","15.2261","0.0018","18.358","0.002","90","","97.59","0.003","90","","1424.5","0.3","123","2","123","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C20 H11 Br S -","- C20 H11 Br S -","- C80 H44 Br4 S4 -","4","1","","Ozaki, Kyohei; Matsuoka, Wataru; Ito, Hideto; Itami, Kenichiro","Annulative π-Extension (APEX) of Heteroarenes with Dibenzosiloles and Dibenzogermoles by Palladium/o-Chloranil Catalysis.","Organic letters","2017","19","7","1930","1933","10.1021/acs.orglett.7b00684","","","0.71075","MoKα","","0.0271","0.0212","","","0.0544","0.0569","","","","","","1.037","","","","has coordinates","196095","2020-10-21","18:00:00",""
"1545963","9.5441","0.0002","7.5459","0.0002","27.2946","0.0019","90","","96.595","0.007","90","","1952.72","0.15","100","2","100","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C23 H21 Br N2 O -","- C23 H21 Br N2 O -","- C92 H84 Br4 N8 O4 -","4","1","","Anderson, James C.; Campbell, Ian B.; Campos, Sebastien; Rundell, Christopher D.; Shannon, Jonathan; Tizzard, Graham J.","Base-Controlled Diastereoselective Synthesis of Either anti- or syn-β-Aminonitriles.","Organic letters","2017","19","7","1918","1921","10.1021/acs.orglett.7b00679","","x-ray","1.54187","CuKα","","0.1007","0.0862","","","0.2244","0.2442","","","","","","1.17","","","","has coordinates","196096","2020-10-21","18:00:00",""
"1545964","9.4676","0.0005","15.2732","0.0007","12.2821","0.0006","90","","96.493","0.002","90","","1764.61","0.15","296","2","296","2","","","","","","","","3","P 1 21 1","P 2yb","4","","","","- C32 H34 O10 -","- C32 H34 O10 -","- C64 H68 O20 -","2","1","","Xiao, Zheming; Li, Yayue; Gao, Shuanhu","Total Synthesis and Structural Determination of the Dimeric Tetrahydroxanthone Ascherxanthone A.","Organic letters","2017","19","7","1834","1837","10.1021/acs.orglett.7b00592","","","0.71073","MoKα","","0.0549","0.0433","","","0.1153","0.1218","","","","","","1.007","","","","has coordinates","196097","2020-10-21","18:00:00",""
"1545965","11.0916","0.0006","8.5446","0.0004","23.4141","0.0013","90","","95.772","0.006","90","","2207.8","0.2","107.3","","107.3","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C24 H25 N3 O5 -","- C24 H25 N3 O5 -","- C96 H100 N12 O20 -","4","1","","Wang, Chunyu; Wang, Zhonglei; Xie, Xiaoni; Yao, Xiaotong; Li, Guang; Zu, Liansuo","Total Synthesis of (±)-Grandilodine B.","Organic letters","2017","19","7","1828","1830","10.1021/acs.orglett.7b00591","","","0.7107","MoKα","","0.069","0.0508","","","0.1097","0.1202","","","","","","1.034","","","","has coordinates","196098","2020-10-21","18:00:00",""
"1545966","10.666","0.009","6.294","0.005","11.33","0.009","90","","109.47","0.011","90","","717.1","1","298","2","298","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C16 H17 N O4 -","- C16 H17 N O4 -","- C32 H34 N2 O8 -","2","1","","Li, Jian Long; Shi, Hong Wei; Wang, Qi; Chai, Yong Hai; Yang, Jun","Synthesis of the ABC Tricyclic System of Daphnicyclidin A.","Organic letters","2017","19","7","1497","1499","10.1021/acs.orglett.7b00230","","","0.71073","MoKα","","0.0508","0.0432","","","0.1304","0.1399","","","","","","1.076","","","","has coordinates","196099","2020-10-21","18:00:00",""
"1545967","9.0447","0.0008","10.6072","0.0009","11.4907","0.0009","70.444","0.003","89.544","0.004","67.304","0.003","949.01","0.14","100","2","100","2","","","","","","","","6","P -1","-P 1","2","","","","- C21 H20 F3 N O2 S -","- C21 H20 F3 N O2 S -","- C42 H40 F6 N2 O4 S2 -","2","1","","Cendón, Borja; Casanova, Noelia; Comanescu, Cezar; García-Fandiño, Rebeca; Seoane, Andrés; Gulías, Moisés; Mascareñas, José L","Palladium-Catalyzed Formal (5 + 2) Annulation between ortho-Alkenylanilides and Allenes.","Organic letters","2017","19","7","1674","1677","10.1021/acs.orglett.7b00467","","","0.71073","MoKα","","0.0627","0.0419","","","0.0982","0.1156","","","","","","0.721","","","","has coordinates","196100","2020-10-21","18:00:00",""
"1545968","7.1072","0.0005","23.128","0.002","10.8794","0.0011","90","","90","","90","","1788.3","0.3","100","2","100","2","","","","","","","","7","P n a 21","P 2c -2n","33","cc185bc","","","- C18 H19 Br F3 N O2 S -","- C18 H19 Br F3 N O2 S -","- C72 H76 Br4 F12 N4 O8 S4 -","4","1","","Cendón, Borja; Casanova, Noelia; Comanescu, Cezar; García-Fandiño, Rebeca; Seoane, Andrés; Gulías, Moisés; Mascareñas, José L","Palladium-Catalyzed Formal (5 + 2) Annulation between ortho-Alkenylanilides and Allenes.","Organic letters","2017","19","7","1674","1677","10.1021/acs.orglett.7b00467","","x-ray","0.71073","MoKα","","0.0541","0.0335","","","0.0583","0.0638","","","","","","1.021","","","","has coordinates","211179","2020-10-21","18:00:00",""
"1545969","23.234","0.006","33.003","0.008","7.7417","0.0017","90","","95.771","0.007","90","","5906","2","100","2","100","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C21 H20 F3 N O2 S -","- C21 H20 F3 N O2 S -","- C252 H240 F36 N12 O24 S12 -","12","3","","Cendón, Borja; Casanova, Noelia; Comanescu, Cezar; García-Fandiño, Rebeca; Seoane, Andrés; Gulías, Moisés; Mascareñas, José L","Palladium-Catalyzed Formal (5 + 2) Annulation between ortho-Alkenylanilides and Allenes.","Organic letters","2017","19","7","1674","1677","10.1021/acs.orglett.7b00467","","","0.71073","MoKα","","0.1373","0.0648","","","0.1425","0.1761","","","","","","1.025","","","","has coordinates","196100","2020-10-21","18:00:00",""
"1545970","7.4533","0.0008","8.8064","0.001","9.0773","0.0009","74.195","0.004","68.403","0.004","81.369","0.004","532.21","0.1","100","2","100","2","","","","","","","","6","P -1","-P 1","2","","","","- C10 H8 F3 N O2 S -","- C10 H8 F3 N O2 S -","- C20 H16 F6 N2 O4 S2 -","2","1","","Cendón, Borja; Casanova, Noelia; Comanescu, Cezar; García-Fandiño, Rebeca; Seoane, Andrés; Gulías, Moisés; Mascareñas, José L","Palladium-Catalyzed Formal (5 + 2) Annulation between ortho-Alkenylanilides and Allenes.","Organic letters","2017","19","7","1674","1677","10.1021/acs.orglett.7b00467","","","0.71073","MoKα","","0.0857","0.0759","","","0.2004","0.2105","","","","","","1.022","","","","has coordinates","196100","2020-10-21","18:00:00",""
"1545971","21.1037","0.0008","21.1037","0.0008","10.4985","0.0006","90","","90","","120","","4049.3","0.3","113.15","","113.15","","","","","","","","","4","P 61","P 61","169","","","","- C33 H35 N O -","- C33 H35 N O -","- C198 H210 N6 O6 -","6","1","","Sun, Hui; Cui, Bin; Duan, Lili; Li, Yue-Ming","Intramolecular Aminoalkoxylation of Unfunctionalized Olefins via Intramolecular Iodoamination and Aziridinium Ion Ring-Opening Sequence.","Organic letters","2017","19","7","1520","1523","10.1021/acs.orglett.7b00284","","","0.71073","MoKα","","0.0367","0.0326","","","0.0788","0.0813","","","","","","1.051","","","","has coordinates","196101","2020-10-21","18:00:00",""
"1545972","8.812","0.0002","11.495","0.0004","19.111","0.0005","90","","90","","90","","1935.83","0.1","293","2","293","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C23 H17 Cl N2 O3 -","- C23 H17 Cl N2 O3 -","- C92 H68 Cl4 N8 O12 -","4","1","","Montesinos-Magraner, Marc; Vila, Carlos; Blay, Gonzalo; Fernández, Isabel; Muñoz, M Carmen; Pedro, José R","Hydroxy-Directed Enantioselective Hydroxyalkylation in the Carbocyclic Ring of Indoles.","Organic letters","2017","19","7","1546","1549","10.1021/acs.orglett.7b00354","","","0.71073","MoKα","","0.0844","0.043","","","0.0976","0.1153","","","","","","0.908","","","","has coordinates","196102","2020-10-21","18:00:00",""
"1545973","11.188","0.002","25.322","0.005","16.401","0.003","90","","93.32","0.03","90","","4638.6","1.5","173","2","173","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C41 H40 Cl2 N2 P2 Ru -","- C41 H40 Cl2 N2 P2 Ru -","- C164 H160 Cl8 N8 P8 Ru4 -","4","1","","Wang, Zheng; Pan, Bing; Liu, Qingbin; Yue, Erlin; Solan, Gregory A.; Ma, Yanping; Sun, Wen-Hua","Efficient acceptorless dehydrogenation of secondary alcohols to ketones mediated by a PNN-Ru(ii) catalyst","Catal. Sci. Technol.","2017","7","8","1654","","10.1039/C7CY00342K","","","0.71073","MoKα","","","0.0736","","","0.1795","0.1921","","","","","","1.034","","","","has coordinates","196197","2020-10-21","18:00:00",""
"1545974","6.2846","0.0003","11.2864","0.0006","14.5243","0.0008","90","","90","","90","","1030.22","0.09","100","2","100","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C8 H14 B O3 P -","- C8 H14 B O3 P -","- C32 H56 B4 O12 P4 -","4","1","","Markley, Jana L.; Hanson, Paul R.","P-Stereogenic Bicyclo[4.3.1]phosphite Boranes: Synthesis and Utility of Tunable P-Tether Systems for the Desymmetrization of C2-Symmetric 1,3-anti-Diols.","Organic letters","2017","19","10","2552","2555","10.1021/acs.orglett.7b00851","","","1.54178","CuKα","","0.031","0.0299","","","0.0757","0.0767","","","","","","1.061","","","","has coordinates","197478","2020-10-21","18:00:00",""
"1545975","6.2929","0.001","11.2901","0.0017","14.454","0.002","90","","90","","90","","1026.9","0.3","100","2","100","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C8 H14 B O3 P -","- C8 H14 B O3 P -","- C32 H56 B4 O12 P4 -","4","1","","Markley, Jana L.; Hanson, Paul R.","P-Stereogenic Bicyclo[4.3.1]phosphite Boranes: Synthesis and Utility of Tunable P-Tether Systems for the Desymmetrization of C2-Symmetric 1,3-anti-Diols.","Organic letters","2017","19","10","2552","2555","10.1021/acs.orglett.7b00851","","","1.54178","CuKα","","0.0267","0.0267","","","0.0701","0.0701","","","","","","1.078","","","","has coordinates","197478","2020-10-21","18:00:00",""
"1545976","17.0396","0.0003","27.7804","0.0006","34.0065","0.0006","90","","90.253","0.002","90","","16097.4","0.5","120","2","120","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C60 H64 I2 N32 O14 -","- C60 H64 I1.9995 N32 O14 -","- C480 H512 I15.996 N256 O112 -","8","2","","Jelínková, Kristýna; Surmová, Heda; Matelová, Alena; Rouchal, Michal; Prucková, Zdeňka; Dastychová, Lenka; Nečas, Marek; Vícha, Robert","Cubane Arrives on the Cucurbituril Scene.","Organic letters","2017","19","10","2698","2701","10.1021/acs.orglett.7b01029","","","0.71073","MoKα","","0.1387","0.101","","","0.2914","0.3243","","","","","","1.015","","","","has coordinates","197482","2020-10-21","18:00:00",""
"1545977","8.7243","0.0004","12.504","0.0005","26.5448","0.001","90","","90","","90","","2895.7","0.2","296","","296","","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C33 H36 N2 O6 -","- C33 H36 N2 O6 -","- C132 H144 N8 O24 -","4","1","","Ejima, Hirotaka; Wakita, Fumihiro; Imamura, Ryo; Kato, Takuya; Hosokawa, Seijiro","Stereoselective Synthesis of Tabtoxinine-β-lactam by Using the Vinylogous Mukaiyama Aldol Reaction with Acetate-Type Vinylketene Silyl N,O-Acetal and α-Keto-β-lactam","Organic Letters","2017","","","","","10.1021/acs.orglett.7b00814","","","0.71075","MoKα","","0.0518","0.0462","","","0.122","0.127","","","","","","1.045","","","","has coordinates","196201","2020-10-21","18:00:00",""
"1545978","11.6661","0.0003","22.7624","0.0005","15.2664","0.0004","90","","108.677","0.001","90","","3840.48","0.17","180","2","180","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C36 H72 Cu2.7 Li1.3 N4 -","- C36 H72 Cu2.697 Li1.303 N4 -","- C144 H288 Cu10.788 Li5.212 N16 -","4","1","","Wheatley, Andrew; Peel, Andrew; Ackroyd, Ryan","Metal exchange in lithiocuprates: implications for our understanding of structure and reactivity","Chem. Sci.","2017","","","","","10.1039/C7SC01423F","","","1.54184","CuKα","","0.0741","0.0501","","","0.1085","0.1167","","","","","","1.055","","","","has coordinates,has disorder","196206","2020-10-21","18:00:00",""
"1545979","11.8638","0.0003","12.043","0.0003","12.2033","0.0003","82.499","0.001","66.906","0.001","72.489","0.001","1529.35","0.07","180","2","180","2","","","","","","","","5","P -1","-P 1","2","","","","- C54 H104 Li6 N6 O6 -","- C54 H104 Li6 N6 O6 -","- C54 H104 Li6 N6 O6 -","1","0.5","","Wheatley, Andrew; Peel, Andrew; Ackroyd, Ryan","Metal exchange in lithiocuprates: implications for our understanding of structure and reactivity","Chem. Sci.","2017","","","","","10.1039/C7SC01423F","","","1.54184","CuKα","","0.0632","0.0502","","","0.1308","0.14","","","","","","1.035","","","","has coordinates,has disorder","196206","2020-10-21","18:00:00",""
"1545980","7.9156","0.0003","13.4775","0.0005","13.8111","0.0006","110.986","0.002","94.546","0.002","104.331","0.002","1309.7","0.09","180","2","180","2","","","","","","","","6","P -1","-P 1","2","","","","- C46 H88 Cu0.21 Li5.79 N6 O4 -","- C46 H88 Cu0.2082 Li5.7918 N6 O4 -","- C46 H88 Cu0.2082 Li5.7918 N6 O4 -","1","0.5","","Wheatley, Andrew; Peel, Andrew; Ackroyd, Ryan","Metal exchange in lithiocuprates: implications for our understanding of structure and reactivity","Chem. Sci.","2017","","","","","10.1039/C7SC01423F","","","1.54184","CuKα","","0.0683","0.0515","","","0.1282","0.1388","","","","","","1.026","","","","has coordinates,has disorder","196206","2020-10-21","18:00:00",""
"1545981","11.9447","0.0008","13.7635","0.0009","16.4214","0.0011","80.989","0.003","78.164","0.003","67.824","0.003","2437.5","0.3","180","2","180","2","","","","","","","","6","P -1","-P 1","2","","","","- C37 H88 Cu Li4 N9 O -","- C37 H88 Cu Li4 N9 O -","- C74 H176 Cu2 Li8 N18 O2 -","2","1","","Wheatley, Andrew; Peel, Andrew; Ackroyd, Ryan","Metal exchange in lithiocuprates: implications for our understanding of structure and reactivity","Chem. Sci.","2017","","","","","10.1039/C7SC01423F","","","1.54184","CuKα","","0.0721","0.0572","","","0.173","0.1881","","","","","","1.048","","","","has coordinates,has disorder","196206","2020-10-21","18:00:00",""
"1545982","8.4118","0.0004","11.5807","0.0005","13.5645","0.0006","98.376","0.002","95.058","0.002","94.955","0.002","1295.58","0.1","180","2","180","2","","","","","","","","6","P -1","-P 1","2","","","","- C46 H88 Cu2 Li4 N6 O4 -","- C46 H88 Cu2 Li4 N6 O4 -","- C46 H88 Cu2 Li4 N6 O4 -","1","0.5","","Wheatley, Andrew; Peel, Andrew; Ackroyd, Ryan","Metal exchange in lithiocuprates: implications for our understanding of structure and reactivity","Chem. Sci.","2017","","","","","10.1039/C7SC01423F","","","1.54184","CuKα","","0.0386","0.0351","","","0.0965","0.1026","","","","","","1.082","","","","has coordinates","196206","2020-10-21","18:00:00",""
"1545983","17.7718","0.0004","12.1985","0.0003","17.2945","0.0005","90","","118.237","0.001","90","","3303.09","0.15","180","2","180","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C24 H60 Br Li3 N6 -","- C24 H60 Br Li3 N6 -","- C96 H240 Br4 Li12 N24 -","4","1","","Wheatley, Andrew; Peel, Andrew; Ackroyd, Ryan","Metal exchange in lithiocuprates: implications for our understanding of structure and reactivity","Chem. Sci.","2017","","","","","10.1039/C7SC01423F","","","1.54184","CuKα","","0.071","0.0414","","","0.0794","0.0901","","","","","","1.023","","","","has coordinates","196206","2020-10-21","18:00:00",""
"1545984","17.7591","0.0008","12.2389","0.0006","17.2889","0.0008","90","","118.227","0.002","90","","3310.9","0.3","180","2","180","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C24 H60 Br Cu0.09 Li2.91 N6 -","- C24 H60 Br Cu0.094 Li2.906 N6 -","- C96 H240 Br4 Cu0.376 Li11.624 N24 -","4","1","","Wheatley, Andrew; Peel, Andrew; Ackroyd, Ryan","Metal exchange in lithiocuprates: implications for our understanding of structure and reactivity","Chem. Sci.","2017","","","","","10.1039/C7SC01423F","","","1.54184","CuKα","","0.1287","0.0825","","","0.1401","0.1524","","","","","","1.117","","","","has coordinates,has disorder","196206","2020-10-21","18:00:00",""
"1545985","16.7641","0.0007","11.6113","0.0004","14.8749","0.0007","90","","112.159","0.005","90","","2681.6","0.2","93","2","93","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C24 H28 N4 O6 -","- C24 H28 N4 O6 -","- C96 H112 N16 O24 -","4","1","","Nikolayevskiy, Herman; Tun, Kyaw Moe; Rablen, Paul R.; Ben Mamoun, Choukri; Herzon, Seth","A complex stereochemical relay approach to the antimalarial alkaloid ocimicide A1. Evidence for a structural revision.","Chem. Sci.","2017","","","","","10.1039/C7SC01127J","","","1.54184","CuKα","","0.095","0.0604","","","0.1491","0.1691","","","","","","1.02","","","","has coordinates","196207","2020-10-21","18:00:00",""
"1545986","13.3652","0.0004","18.9012","0.0007","14.5561","0.0005","90","","104.314","0.004","90","","3563","0.2","173","2","173","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C30 H44 N4 O6 Pd2 S2 -","- C30 H44 N4 O6 Pd2 S2 -","- C120 H176 N16 O24 Pd8 S8 -","4","1","","St John-Campbell, Sahra; White, Andrew J. P.; Bull, James A.","Single Operation Palladium Catalysed C(sp3)‒H Functionalisation of Tertiary Aldehydes: Investigations into Transient Imine Directing Groups","Chem. Sci.","2017","","","","","10.1039/C7SC01218G","","","0.71073","MoKα","","0.0511","0.0345","","","0.0659","0.0736","","","","","","1.055","","","","has coordinates","196208","2020-10-21","18:00:00",""
"1545987","25.037","0.009","9.586","0.001","24.537","0.006","90","0.01","120.09","0.02","90","0.02","5095","3","293","2","293","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C59 H39 Br4 N7 Zn -","- C59 H39 Br4 N7 Zn -","- C236 H156 Br16 N28 Zn4 -","4","0.5","","Bertini, Federica; Glatz, Mathias; Gorgas, Nikolaus; Stoeger, Berthold; Peruzzini, Maurizio; Veiros, Luis Filipe F.; Kirchner, Karl; Gonsalvi, Luca","Carbon Dioxide Hydrogenation Catalysed by Well-defined Mn(I) PNP Pincer Hydride Complexes","Chem. Sci.","2017","","","","","10.1039/C7SC00209B","","","0.7107","MoKα","","0.175","0.092","","0.2424","0.1958","","","","0.953","1.151","1.151","","","","","has coordinates","196209","2020-10-21","18:00:00",""
"1545988","9.048","0.0006","15.1904","0.001","19.1737","0.0012","73.9435","0.0008","78.7765","0.0008","88.9763","0.0008","2482.2","0.3","150","2","150","2","","","","","","","","8","P -1","-P 1","2","","","","- C39 H50 Au F8 I2 K N4 O12.5 -","- C39 H50 Au F8 I2 K N4 O12.5 -","- C78 H100 Au2 F16 I4 K2 N8 O25 -","2","1","","Christopherson, Jan-Constantin; Potts, Karlie P.; Bushuyev, Oleksandr S.; Topić, Filip; Huskic, Igor; Rissanen, Kari; Barrett, Christopher J.; Friščić, Tomislav","Assembly and dichroism of a four-component halogen-bonded metal-organic cocrystal salt solvate involving dicyanoaurate(I) acceptors","Faraday Discuss.","2017","","","","","10.1039/C7FD00114B","","","0.71073","MoKα","","0.0591","0.042","","","0.1037","0.1151","","","","","","1.017","","","","has coordinates,has disorder","196211","2020-10-21","18:00:00",""
"1545989","12.9848","0.001","19.382","0.0015","22.2953","0.0017","90","","99.8421","0.001","90","","5528.5","0.7","273","2","273.15","","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C61 H76 N2 O12 -","- C61 H76 N2 O12 -","- C244 H304 N8 O48 -","4","1","","Zhu, Kelong; Baggi, Giorgio; Vukotic, V. Nicholas; Loeb, Stephen J.","Reversible mechanical protection: building a 3D “suit” around a T-shaped benzimidazole axle","Chem. Sci.","2017","8","5","3898","","10.1039/C7SC00790F","","","0.71073","MoKα","","0.089","0.0561","","","0.131","0.149","","","","","","1.024","","","","has coordinates,has disorder","196226","2020-10-21","18:00:00",""
"1545990","17.819","0.003","17.457","0.003","34.337","0.005","90","","90","","90","","10681","3","173","2","173","","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C61 H71 N3 O10 -","- C61 H71 N3 O10 -","- C488 H568 N24 O80 -","8","1","","Zhu, Kelong; Baggi, Giorgio; Vukotic, V. Nicholas; Loeb, Stephen J.","Reversible mechanical protection: building a 3D “suit” around a T-shaped benzimidazole axle","Chem. Sci.","2017","8","5","3898","","10.1039/C7SC00790F","","","0.71073","MoKα","","0.1513","0.1148","","","0.2232","0.2406","","","","","","1.166","","","","has coordinates,has disorder","196226","2020-10-21","18:00:00",""
"1545991","15.96905","0.00013","20.99152","0.00016","10.22172","0.00008","90","","96.6779","0.0007","90","","3403.22","0.05","100","0.1","100","0.1","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C31 H48 N4 O10 S -","- C31 H48 N4 O10 S -","- C124 H192 N16 O40 S4 -","4","1","","Hu, Ting; Connor, Alan L.; Miller, Daniel P.; Wang, Xiao; Pei, Qiang; Liu, Rui; He, Lan; Zheng, Chong; Zurek, Eva; Lu, Zhong-Lin; Gong, Bing","Helical Folding of Meta-Connected Aromatic Oligoureas.","Organic letters","2017","19","10","2666","2669","10.1021/acs.orglett.7b01005","","x-ray","1.54184","CuKα","","0.0373","0.035","","","0.0854","0.0872","","","","","","1.062","","","","has coordinates","197481","2020-10-21","18:00:00",""
"1545992","11.689","0.004","14.24","0.004","17.345","0.005","112.693","0.004","101.236","0.005","97.554","0.005","2543.5","1.3","293","2","293","2","","","","","","","","4","P -1","-P 1","2","","","","- C46 H70 N6 O17 -","- C46 H70 N6 O17 -","- C92 H140 N12 O34 -","2","1","","Hu, Ting; Connor, Alan L.; Miller, Daniel P.; Wang, Xiao; Pei, Qiang; Liu, Rui; He, Lan; Zheng, Chong; Zurek, Eva; Lu, Zhong-Lin; Gong, Bing","Helical Folding of Meta-Connected Aromatic Oligoureas.","Organic letters","2017","19","10","2666","2669","10.1021/acs.orglett.7b01005","","","0.71073","MoKα","","0.1101","0.0959","","","0.2343","0.2427","","","","","","1.205","","","","has coordinates","197481","2020-10-21","18:00:00",""
"1545993","7.689","0.003","10.82","0.004","11.135","0.005","100.707","0.003","101.208","0.003","106.471","0.003","842.4","0.6","298","2","298.15","","","","","","","","","3","P -1","-P 1","2","","","","- C22 H18 O2 -","- C22 H18 O2 -","- C44 H36 O4 -","2","1","","Liang, Man; Zhang, Shuai; Jia, Jiong; Tung, Chen-Ho; Wang, Jianwu; Xu, Zhenghu","Synthesis of Spiroketals by Synergistic Gold and Scandium Catalysis","Organic Letters","2017","","","","","10.1021/acs.orglett.7b00804","","","0.71","MoKα","","0.051","0.0361","","","0.0806","0.0891","","","","","","1.049","","","","has coordinates","215051","2020-10-21","18:00:00",""
"1545994","9.1593","0.0007","11.0566","0.0008","12.405","0.0009","64.95","0.001","76.98","0.001","89.327","0.001","1103.85","0.14","90","2","90.15","","","","","","","","","6","P -1","-P 1","2","","","","- C23 H17 Cl N2 O7 S -","- C23 H17 Cl N2 O7 S -","- C46 H34 Cl2 N4 O14 S2 -","2","1","","Laws, Stephen W.; Moore, Lucas C.; Di Maso, Michael J.; Nguyen, Q Nhu N; Tantillo, Dean J.; Shaw, Jared T.","Diastereoselective Base-Catalyzed Formal [4 + 2] Cycloadditions of N-Sulfonyl Imines and Cyclic Anhydrides.","Organic letters","2017","19","10","2466","2469","10.1021/acs.orglett.7b00468","","","0.71073","MoKα","","0.0451","0.0373","","","0.0984","0.1034","","","","","","1.021","","","","has coordinates","197485","2020-10-21","18:00:00",""
"1545995","13.7214","0.0014","9.2266","0.0009","34.566","0.004","90","","91.593","0.002","90","","4374.4","0.8","100","2","99.99","","","","","","","","","5","I 1 2/a 1","-I 2ya","15","","","","- C24 H17 N3 O7 S -","- C24 H17 N3 O7 S -","- C192 H136 N24 O56 S8 -","8","1","","Laws, Stephen W.; Moore, Lucas C.; Di Maso, Michael J.; Nguyen, Q Nhu N; Tantillo, Dean J.; Shaw, Jared T.","Diastereoselective Base-Catalyzed Formal [4 + 2] Cycloadditions of N-Sulfonyl Imines and Cyclic Anhydrides.","Organic letters","2017","19","10","2466","2469","10.1021/acs.orglett.7b00468","","","0.71073","MoKα","","0.0357","0.0326","","","0.088","0.09","","","","","","1.049","","","","has coordinates","197485","2020-10-21","18:00:00",""
"1545996","16.1455","0.0018","19.402","0.002","9.224","0.001","90","","103.732","0.002","90","","2806.9","0.5","296","2","296","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C25 H27 Cl2 N7 Ni O3 -","- C25 H27 Cl2 N7 Ni O3 -","- C100 H108 Cl8 N28 Ni4 O12 -","4","1","","Dai, Zengjin; Luo, Qin; Jiang, Huan; Luo, Qi; Li, Hua; Zhang, Jing; Peng, Tianyou","Ni(II)-N′NN′ Pincer Complexes Catalyzed Dehydrogenation of Primary Alcohols to Carboxylic acids and H2 Accompanied by the Alcohol Etherification","Catal. Sci. Technol.","2017","","","","","10.1039/C7CY00432J","","","0.71073","MoKα","","0.0736","0.0423","","","0.0917","0.1092","","","","","","1","","","","has coordinates","196542","2020-10-21","18:00:00",""
"1545997","8.76","0.003","13.957","0.005","16.322","0.005","90","","90","","90","","1995.6","1.2","293","","293","","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C21 H23 N O6 -","- C21 H23 N O6 -","- C84 H92 N4 O24 -","4","1","","Chen, Bo; Liu, Xin; Hu, Ya-Jian; Zhang, Dongmei; Deng, Lijuan; Lu, Jieyu; Min, Long; Ye, Wen-Cai; Li, Chuang-Chuang","Enantioselective Total Synthesis of (‒)-Colchicine, (+)-Demecolcinone and Metacolchicine: Determination of the Absolute Configurations of the Latter Two Alkaloids","Chem. Sci.","2017","","","","","10.1039/C7SC01341H","","","0.71073","MoKα","","0.0889","0.0795","","","0.24","0.2659","","","","","","1.087","","","","has coordinates","196548","2020-10-21","18:00:00",""
"1545998","13.869","0.009","9.736","0.008","14.969","0.011","90","","105.103","0.018","90","","1951","3","293","","293","","","","","","","","","4","P 1 21 1","P 2yb","4","","liux-1","","- C40 H36 N3 O14 -","- C40 H36 N3 O14 -","- C80 H72 N6 O28 -","2","1","","Chen, Bo; Liu, Xin; Hu, Ya-Jian; Zhang, Dongmei; Deng, Lijuan; Lu, Jieyu; Min, Long; Ye, Wen-Cai; Li, Chuang-Chuang","Enantioselective Total Synthesis of (‒)-Colchicine, (+)-Demecolcinone and Metacolchicine: Determination of the Absolute Configurations of the Latter Two Alkaloids","Chem. Sci.","2017","","","","","10.1039/C7SC01341H","","","0.71073","MoKα","","0.1221","0.0992","","","0.2557","0.3148","","","","","","1.023","","","","has coordinates","196548","2020-10-21","18:00:00",""
"1546001","7.8742","0.001","12.2573","0.0003","13.1272","0.0004","90","","107.166","0.01","90","","1210.55","0.17","293","2","293","2","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","","","- C15 H16 O3 -","- C15 H16 O3 -","- C60 H64 O12 -","4","1","","Liu, Xin; Liu, Junyang; Zhao, Jing; Li, Shaoping; Li, Chuang-Chuang","Toward the Total Synthesis of Eurifoloid A.","Organic letters","2017","19","10","2742","2745","10.1021/acs.orglett.7b01102","","","1.54178","CuKα","","0.0518","0.0478","","","0.1246","0.129","","","","","","1.102","","","","has coordinates","197483","2020-10-21","18:00:00",""
"1546002","10.393","0.0007","11.0108","0.0013","11.0248","0.0012","87.324","0.009","66.406","0.009","79.801","0.008","1137.5","0.2","180","0.1","180","0.1","","","","","","","","3","P -1","-P 1","2","","","","- C28 H30 N2 -","- C28 H30 N2 -","- C56 H60 N4 -","2","1","","Chi, Yue; Yan, Haihan; Zhang, Wen-Xiong; Xi, Zhenfeng","Synthesis of Quinoline Derivatives via Cu-Catalyzed Cascade Annulation of Heterocumulenes, Alkynes, and Diaryliodonium Salts","Organic Letters","2017","","","","","10.1021/acs.orglett.7b01025","","","0.71073","MoKα","","0.0935","0.0552","","","0.114","0.1349","","","","","","1.065","","","","has coordinates","196597","2020-10-21","18:00:00",""
"1546003","10.3505","0.0009","8.6159","0.0008","27.293","0.003","90","","99.307","0.009","90","","2401.9","0.4","180","0.1","180","0.1","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","Mes","","- C30 H25 N S -","- C30 H25 N S -","- C120 H100 N4 S4 -","4","1","","Chi, Yue; Yan, Haihan; Zhang, Wen-Xiong; Xi, Zhenfeng","Synthesis of Quinoline Derivatives via Cu-Catalyzed Cascade Annulation of Heterocumulenes, Alkynes, and Diaryliodonium Salts","Organic Letters","2017","","","","","10.1021/acs.orglett.7b01025","","","0.71073","MoKα","","0.1147","0.0598","","","0.1285","0.1595","","","","","","1.036","","","","has coordinates","196597","2020-10-21","18:00:00",""
"1546004","5.7733","0.0002","9.1531","0.0004","41.7797","0.0019","90","","91.716","0.004","90","","2206.8","0.16","123","","123.15","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C21 H33 N O6 -","- C21 H33 N O6 -","- C84 H132 N4 O24 -","4","1","","Pilsl, Ludwig K. A.; Ertl, Thomas; Reiser, Oliver","Enantioselective Three-Step Synthesis of Homo-β-proline: A Donor-Acceptor Cyclopropane as Key Intermediate.","Organic letters","2017","19","10","2754","2757","10.1021/acs.orglett.7b01111","","","1.5418","CuKα","","0.0553","0.0487","","","0.131","0.1395","","","","","","1.029","","","","has coordinates","211179","2020-10-21","18:00:00",""
"1546005","9.4639","0.0003","6.1799","0.0002","13.1692","0.0005","90","","90.131","0.004","90","","770.21","0.05","123","","123","","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C15 H23 N O4 -","- C15 H23 N O4 -","- C30 H46 N2 O8 -","2","1","","Pilsl, Ludwig K. A.; Ertl, Thomas; Reiser, Oliver","Enantioselective Three-Step Synthesis of Homo-β-proline: A Donor-Acceptor Cyclopropane as Key Intermediate.","Organic letters","2017","19","10","2754","2757","10.1021/acs.orglett.7b01111","","","1.5418","CuKα","","0.0601","0.0582","","","0.1493","0.1522","","","","","","1.09","","","","has coordinates","211179","2020-10-21","18:00:00",""
"1546006","6.02696","0.00012","8.5237","0.00017","15.8573","0.0003","90","","90","","90","","814.62","0.03","123","0.1","123","0.1","","","","","","","","4","P 2 21 21","P 2bc 2","18","","","","- C15 H27 N O4 -","- C15 H27 N O4 -","- C30 H54 N2 O8 -","2","0.5","","Pilsl, Ludwig K. A.; Ertl, Thomas; Reiser, Oliver","Enantioselective Three-Step Synthesis of Homo-β-proline: A Donor-Acceptor Cyclopropane as Key Intermediate.","Organic letters","2017","19","10","2754","2757","10.1021/acs.orglett.7b01111","","","1.54184","CuKα","","0.0308","0.0289","","","0.0757","0.0767","","","","","","1.031","","","","has coordinates,has disorder","204129","2020-10-21","18:00:00",""
"1546007","28.764","0.004","28.764","0.004","7.479","0.0011","90","","90","","120","","5358.9","1.3","298","2","298","2","","","","","","","","4","R -3 :H","-R 3","148","","","","- C14 H14 N2 O -","- C14 H14 N2 O -","- C252 H252 N36 O18 -","18","1","","Purkait, Anisha; Roy, Subhra Kanti; Srivastava, Hemant Kumar; Jana, Chandan K.","Metal-Free Sequential C(sp2)‒H/OH and C(sp3)‒H Aminations of Nitrosoarenes and N-Heterocycles to Ring-Fused Imidazoles","Organic Letters","2017","","","","","10.1021/acs.orglett.7b00832","","","0.71073","MoKα","","0.2253","0.0585","","","0.0717","0.0929","","","","","","1.084","","","","has coordinates","196601","2020-10-21","18:00:00",""
"1546008","20.986","0.004","22.422","0.004","7.9388","0.0015","90","","103.263","0.003","90","","3635.9","1.2","100","","100","2","","","","","","","","3","C 1 2/c 1","-C 2yc","15","","","","- C45 H50 S2 -","- C45 H50 S2 -","- C180 H200 S8 -","4","0.5","","Mitsudo, Koichi; Tanaka, Seiichi; Isobuchi, Ryota; Inada, Tomohiro; Mandai, Hiroki; Korenaga, Toshinobu; Wakamiya, Atsushi; Murata, Yasujiro; Suga, Seiji","Rh-Catalyzed Dehydrogenative Cyclization Leading to Benzosilolothiophene Derivatives via Si‒H/C‒H Bond Cleavage","Organic Letters","2017","","","","","10.1021/acs.orglett.7b00878","","","0.71075","MoKα","","0.0545","0.0408","","","0.0977","0.1052","","","","","","1.096","","","","has coordinates,has disorder","196602","2020-10-21","18:00:00",""
"1546009","15.183","0.004","6.7949","0.0018","16.513","0.004","90","","92.37","0.003","90","","1702.1","0.8","296","2","296","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C19 H23 N O4 -","- C19 H23 N O4 -","- C76 H92 N4 O16 -","4","1","","Krieger, Jean-Philippe; Lesuisse, Dominique; Ricci, Gino; Perrin, Marc-Antoine; Meyer, Christophe; Cossy, Janine","Rhodium(III)-Catalyzed C-H Activation/Heterocyclization as a Macrocyclization Strategy. Synthesis of Macrocyclic Pyridones.","Organic letters","2017","","","","","10.1021/acs.orglett.7b01051","","","0.71073","MoKα","","0.046","0.043","","","0.1241","0.1273","","","","","","1.078","","","","has coordinates","196618","2020-10-21","18:00:00",""
"1546010","13.452","0.005","9.374","0.003","19.421","0.007","90","","104.972","0.004","90","","2365.8","1.4","296","2","296","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C25 H27 Br N2 O4 -","- C25 H27 Br N2 O4 -","- C100 H108 Br4 N8 O16 -","4","1","","Zhang, Kaifan; Xu, Xiaoying; Zheng, Jiuan; Yao, Hequan; Huang, Yue; Lin, Aijun","[3 + 3] Cycloaddition of in Situ Formed Azaoxyallyl Cations with 2-Alkenylindoles: An Approach to Tetrahydro-β-carbolinones.","Organic letters","2017","","","","","10.1021/acs.orglett.7b00914","","","0.71073","MoKα","","0.0627","0.0369","","","0.0941","0.1044","","","","","","1.025","","","","has coordinates","196619","2020-10-21","18:00:00",""
"1546011","10.2888","0.0005","16.2882","0.001","13.248","0.0006","90","","91.491","0.005","90","","2219.4","0.2","293","2","293","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C27 H24 N2 O3 -","- C27 H24 N2 O3 -","- C108 H96 N8 O12 -","4","1","","Meher, Niranjan; Iyer, Parameswar K.","Pendant chain engineering to fine-tune nanomorphology and solid state luminescence in naphthalimide AIEEgens: Application to phenolic nitro-explosive detection in water","Nanoscale","2017","","","","","10.1039/C7NR02174G","","","0.71073","MoKα","","0.1447","0.0799","","","0.2671","0.3323","","","","","","1.062","","","","has coordinates","196620","2020-10-21","18:00:00",""
"1546012","12.232","0.0012","12.7073","0.0015","17.15","0.002","90","","103.5","0.008","90","","2592.1","0.5","103","2","103","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C12 H10 Cl I O4 -","- C12 H10 Cl I O4 -","- C96 H80 Cl8 I8 O32 -","8","2","LC5079","Cavallo, Gabriella; Murray, Jane S.; Politzer, Peter; Pilati, Tullio; Ursini, Maurizio; Resnati, Giuseppe","Halogen bonding in hypervalent iodine and bromine derivatives: halonium salts","IUCrJ","2017","4","4","","","10.1107/S2052252517004262","","","0.71073","MoKα","","0.0359","0.0227","","","0.0483","0.0538","","","","","","1.064","","","","has coordinates","196623","2020-10-21","18:00:00",""
"1546013","5.9721","0.0005","12.9442","0.0012","18.387","0.002","90","","96.195","0.012","90","","1413.1","0.2","103","2","103","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C12 H10 F6 I P -","- C12 H10 F6 I P -","- C48 H40 F24 I4 P4 -","4","1","","Cavallo, Gabriella; Murray, Jane S.; Politzer, Peter; Pilati, Tullio; Ursini, Maurizio; Resnati, Giuseppe","Halogen bonding in hypervalent iodine and bromine derivatives: halonium salts","IUCrJ","2017","4","4","","","10.1107/S2052252517004262","","","0.71073","MoKα","","0.035","0.0242","","","0.0581","0.0629","","","","","","1.03","","","","has coordinates","196623","2020-10-21","18:00:00",""
"1546014","11.7183","0.001","13.4322","0.0012","14.8978","0.0013","113.429","0.011","107.498","0.01","101.366","0.01","1913","0.4","103","2","103","2","","","","","","","","6","P -1","-P 1","2","","","","- C33 H22 Cl2 F18 I2 O3 -","- C33 H22 Cl2 F18 I2 O3 -","- C66 H44 Cl4 F36 I4 O6 -","2","1","","Cavallo, Gabriella; Murray, Jane S.; Politzer, Peter; Pilati, Tullio; Ursini, Maurizio; Resnati, Giuseppe","Halogen bonding in hypervalent iodine and bromine derivatives: halonium salts","IUCrJ","2017","4","4","","","10.1107/S2052252517004262","","","0.71073","MoKα","","0.0526","0.0309","","","0.0561","0.0621","","","","","","1.014","","","","has coordinates,has disorder","196623","2020-10-21","18:00:00",""
"1546015","15.4248","0.0007","15.4248","0.0007","15.4248","0.0007","90","","90","","90","","3669.9","0.3","103","2","103","2","","","","","","","","5","P 43 3 2","P 4acd 2ab 3","212","","","","- C36 H24 B0.5 Br5.5 F8 -","- C36 H24 B0.537 Br5.463 F8.144 -","- C144 H96 B2.148 Br21.852 F32.576 -","4","0.166667","","Cavallo, Gabriella; Murray, Jane S.; Politzer, Peter; Pilati, Tullio; Ursini, Maurizio; Resnati, Giuseppe","Halogen bonding in hypervalent iodine and bromine derivatives: halonium salts","IUCrJ","2017","4","4","","","10.1107/S2052252517004262","","","0.71073","MoKα","","0.0434","0.0297","","","0.0516","0.054","","","","","","1.107","","","","has coordinates","196623","2020-10-21","18:00:00",""
"1546016","15.2905","0.0008","15.2905","0.0008","15.2905","0.0008","90","","90","","90","","3574.9","0.3","103","2","103","2","","","","","","","","6","P 41 3 2","P 4bd 2ab 3","213","","","","- C36 H24 B Br3 Cl2 F10 -","- C36 H24 B Br3 Cl2 F10 -","- C144 H96 B4 Br12 Cl8 F40 -","4","0.166667","","Cavallo, Gabriella; Murray, Jane S.; Politzer, Peter; Pilati, Tullio; Ursini, Maurizio; Resnati, Giuseppe","Halogen bonding in hypervalent iodine and bromine derivatives: halonium salts","IUCrJ","2017","4","4","","","10.1107/S2052252517004262","","","0.71073","MoKα","","0.0374","0.0246","","","0.0489","0.0517","","","","","","1.011","","","","has coordinates","196623","2020-10-21","18:00:00",""
"1546017","8.1574","0.0011","10.0848","0.0014","10.157","0.0016","89.158","0.005","72.819","0.004","66.607","0.005","727.64","0.19","103","2","103","2","","","","","","","","6","P -1","-P 1","2","","","","- C14 H12 B Br F4 O2 -","- C14 H12 B Br F4 O2 -","- C28 H24 B2 Br2 F8 O4 -","2","1","","Cavallo, Gabriella; Murray, Jane S.; Politzer, Peter; Pilati, Tullio; Ursini, Maurizio; Resnati, Giuseppe","Halogen bonding in hypervalent iodine and bromine derivatives: halonium salts","IUCrJ","2017","4","4","","","10.1107/S2052252517004262","","","0.71073","MoKα","","0.0496","0.0338","","","0.0697","0.0745","","","","","","1.02","","","","has coordinates","196623","2020-10-21","18:00:00",""
"1546019","9.2535","0.0002","11.5385","0.0003","24.9217","0.0007","90","","90","","90","","2660.93","0.12","90","2","90","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C30 H38 O8 -","- C30 H38 O8 -","- C120 H152 O32 -","4","1","","Sriyatep, Teerayut; Andersen, Raymond J.; Patrick, Brian O.; Pyne, Stephen G.; Muanprasat, Chatchai; Seemakhan, Sawinee; Borwornpinyo, Suparerk; Laphookhieo, Surat","Scalemic Caged Xanthones Isolated from the Stem Bark Extract of Garcinia propinqua.","Journal of natural products","2017","80","5","1658","1667","10.1021/acs.jnatprod.7b00240","","x-ray","1.54178","CuKα","","0.0313","0.0298","","","0.0756","0.0767","","","","","","1.031","","","","has coordinates","197451","2020-10-21","18:00:00",""
"1546020","5.0478","0.0001","14.4096","0.0003","16.6991","0.0004","90","","90","","90","","1214.64","0.05","293","2","293","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C14 H15 N O3 -","- C14 H15 N O3 -","- C56 H60 N4 O12 -","4","1","","An, Qianjin; Shen, Jiefeng; Liu, Delong; Liu, Yangang; Zhang, Wanbin","Construction of Chiral-Fused Tricyclic γ-Lactams via a trans-Perhydroindolic Acid-Catalyzed Asymmetric Domino Reaction.","Organic letters","2017","19","11","2925","2928","10.1021/acs.orglett.7b01160","","","1.54178","CuKα","","0.0411","0.0354","","","0.0909","0.0951","","","","","","1.027","","","","has coordinates","197501","2020-10-21","18:00:00",""
"1546021","7.5525","0.0002","19.9782","0.0005","8.7575","0.0002","90","","101.25","0.001","90","","1295.99","0.06","173","2","173","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C15 H15 N O3 -","- C15 H15 N O3 -","- C60 H60 N4 O12 -","4","1","","An, Qianjin; Shen, Jiefeng; Liu, Delong; Liu, Yangang; Zhang, Wanbin","Construction of Chiral-Fused Tricyclic γ-Lactams via a trans-Perhydroindolic Acid-Catalyzed Asymmetric Domino Reaction.","Organic letters","2017","19","11","2925","2928","10.1021/acs.orglett.7b01160","","","1.54178","CuKα","","0.0399","0.0397","","","0.1249","0.1252","","","","","","1.037","","","","has coordinates","197501","2020-10-21","18:00:00",""
"1546022","12.578","0.003","22.365","0.005","12.644","0.003","90","","107.727","0.003","90","","3388","1.4","100","2","100","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C18 H15 Br N2 O4 -","- C18 H15 Br N2 O4 -","- C144 H120 Br8 N16 O32 -","8","4","","Yang, Yu; Ren, Hong-Xia; Chen, Feng; Zhang, Zheng-Bing; Zou, Ying; Chen, Chao; Song, Xiang-Jia; Tian, Fang; Peng, Lin; Wang, Li-Xin","Organocatalytic Asymmetric Annulation between Hydroxymaleimides and Nitrosoarenes: Stereoselective Preparation of Chiral Quaternary N-Hydroxyindolines","Organic Letters","2017","","","","","10.1021/acs.orglett.7b00893","","","0.71073","MoKα","","0.0686","0.0574","","","0.1402","0.1452","","","","","","1.028","","","","has coordinates","196661","2020-10-21","18:00:00",""
"1546023","10.3109","0.0003","16.7247","0.0004","7.4603","0.0002","90","","108.019","0.0015","90","","1223.4","0.06","296","2","296","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C11 H7 F5 N4 O -","- C11 H7 F5 N4 O -","- C44 H28 F20 N16 O4 -","4","1","","Cheung, Kelvin Pak Shing; Tsui, Gavin Chit","Copper(I)-Catalyzed Interrupted Click Reaction with TMSCF3: Synthesis of 5-Trifluoromethyl 1,2,3-Triazoles","Organic Letters","2017","","","","","10.1021/acs.orglett.7b01116","","","0.71073","MoKα","","0.0679","0.0509","","","0.1442","0.1606","","","","","","1.001","","","","has coordinates","196662","2020-10-21","18:00:00",""
"1546024","16.199","0.003","18.065","0.003","23.596","0.004","102.7","0.004","107.741","0.004","106.042","0.004","5961.7","1.8","100","2","100","2","","","","","","","","7","P -1","-P 1","2","","","","- C63 H74 F10 O4 P Pd S -","- C63 H74 F10 O4 P Pd S -","- C252 H296 F40 O16 P4 Pd4 S4 -","4","2","","Ingoglia, Bryan T.; Buchwald, Stephen L.","Oxidative Addition Complexes as Precatalysts for Cross-Coupling Reactions Requiring Extremely Bulky Biarylphosphine Ligands.","Organic letters","2017","19","11","2853","2856","10.1021/acs.orglett.7b01082","","","0.71073","MoKα","","0.1272","0.0777","","","0.2037","0.2399","","","","","","1.044","","","","has coordinates,has disorder","197510","2020-10-21","18:00:00",""
"1546031","10.0738","0.0019","7.7949","0.0015","20.89","0.004","90","","99.429","0.004","90","","1618.2","0.5","296","2","296","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C21 H19 N O -","- C21 H19 N O -","- C84 H76 N4 O4 -","4","1","","Long, Jinguo; Cao, Xin; Zhu, Longzhi; Qiu, Renhua; Au, Chak-Tong; Yin, Shuang-Feng; Iwasaki, Takanori; Kambe, Nobuaki","Intramolecular, Site-Selective, Iodine-Mediated, Amination of Unactivated (sp(3))C-H Bonds for the Synthesis of Indoline Derivatives.","Organic letters","2017","19","11","2793","2796","10.1021/acs.orglett.7b00846","","","0.71073","MoKα","","0.0994","0.0511","","","0.1309","0.1513","","","","","","1.031","","","","has coordinates","197502","2020-10-21","18:00:00",""
"1546032","12.7471","0.0007","12.3553","0.0006","15.5929","0.0011","90","","101.189","0.006","90","","2409.1","0.3","293","2","293.15","","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C26 H26 N2 O4 S2 -","- C26 H26 N2 O4 S2 -","- C104 H104 N8 O16 S8 -","4","1","","Wu, Zhengxing; Wen, Ke; Zhang, Jingang; Zhang, Wanbin","Pd(II)-Catalyzed Aerobic Intermolecular 1,2-Diamination of Conjugated Dienes: A Regio- and Chemoselective [4 + 2] Annulation for the Synthesis of Tetrahydroquinoxalines.","Organic letters","2017","19","11","2813","2816","10.1021/acs.orglett.7b00919","","","0.71073","MoKα","","0.0719","0.0472","","","0.1086","0.1246","","","","","","1.032","","","","has coordinates","197511","2020-10-21","18:00:00",""
"1546033","8.1304","0.0004","12.3569","0.0007","12.7925","0.0007","82.084","0.004","86.551","0.004","72.325","0.004","1212.65","0.12","170","2","170","2","","","","","","","","5","P -1","-P 1","2","","","","- C27 H28 N2 O4 S2 -","- C27 H28 N2 O4 S2 -","- C54 H56 N4 O8 S4 -","2","1","","Wu, Zhengxing; Wen, Ke; Zhang, Jingang; Zhang, Wanbin","Pd(II)-Catalyzed Aerobic Intermolecular 1,2-Diamination of Conjugated Dienes: A Regio- and Chemoselective [4 + 2] Annulation for the Synthesis of Tetrahydroquinoxalines.","Organic letters","2017","19","11","2813","2816","10.1021/acs.orglett.7b00919","","","0.71073","MoKα","","0.0617","0.0448","","","0.1145","0.1274","","","","","","1.026","","","","has coordinates","197511","2020-10-21","18:00:00",""
"1546038","9.9187","0.001","11.151","0.011","15.866","0.015","73.63","0.05","73.24","0.05","67.98","0.04","1528","2","173","","173","","","","","","","","","4","P -1","-P 1","2","","","","- C32 H38 P2 S2 -","- C32 H38 P2 S2 -","- C64 H76 P4 S4 -","2","1","","Okugawa, Yuto; Hirano, Koji; Miura, Masahiro","Brønsted Base Mediated Stereoselective Diphosphination of Terminal Alkynes with Diphosphanes","Organic Letters","2017","","","","","10.1021/acs.orglett.7b01209","","","0.71075","MoKα","","0.0511","0.042","","","0.0944","0.1026","","","","","","1.113","","","","has coordinates","196696","2020-10-21","18:00:00",""
"1546039","27.6554","0.0005","26.5185","0.0005","26.1889","0.0005","90","","94.414","0.001","90","","19149.4","0.6","173","2","173","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","ring","","- C94.67 H110.34 O17.84 -","- C94.672 H110.344 O17.836 -","- C757.376 H882.752 O142.688 -","8","2","","Hayase, Norihiko; Miyauchi, Yuta; Aida, Yukimasa; Sugiyama, Haruki; Uekusa, Hidehiro; Shibata, Yu; Tanaka, Ken","Synthesis of [8]Cycloparaphenylene-octacarboxylates via Rh-Catalyzed Stepwise Cross-Alkyne Cyclotrimerization","Organic Letters","2017","","","","","10.1021/acs.orglett.7b01231","","","1.54186","CuKα","","0.0841","0.0676","","","0.2138","0.2326","","","","","","1.115","","","","has coordinates,has disorder","196697","2020-10-21","18:00:00",""
"1546040","12.6926","0.0001","21.4026","0.0002","47.9632","0.0003","90","","90","","90","","13029.4","0.18","100.9","0.6","100.9","0.6","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C37 H68 N4 O5 Si2 -","- C37 H68 N4 O5 Si2 -","- C444 H816 N48 O60 Si24 -","12","3","","Fanelli, Roberto; Berthomieu, Dorothée; Didierjean, Claude; Doudouh, Abdelatif; Lebrun, Aurélien; Martinez, Jean; Cavelier, Florine","Hydrophobic α,α-Disubstituted Disilylated TESDpg Induces Incipient 310-Helix in Short Tripeptide Sequence","Organic Letters","2017","","","","","10.1021/acs.orglett.7b01172","","","1.54184","CuKα","","0.0381","0.0357","","","0.0909","0.094","","","","","","1.06","","","","has coordinates,has disorder","196698","2020-10-21","18:00:00",""
"1546041","11.6963","0.0015","7.8375","0.001","18.213","0.002","90","","96.443","0.002","90","","1659","0.4","130","","130","","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C18 H18 Cl N3 O -","- C18 H18 Cl N3 O -","- C72 H72 Cl4 N12 O4 -","4","2","","Tang, Wenjun; Liu, Jiawang; Nie, Ming; Zhou, Qing-Hai; Gao, Shen; Jiang, Wenhao; Chung, Lung Wa; Ding, Kuiling","Enantioselective Palladium-Catalyzed Diboration of 1,1-Disubstituted Allenes","Chem. Sci.","2017","","","","","10.1039/C7SC01254C","","","0.71073","MoKα","","0.0693","0.0464","","","0.0871","0.0972","","","","","","1.014","","","","has coordinates","196710","2020-10-21","18:00:00",""
"1546042","11.1006","0.0017","6.9951","0.001","30.827","0.005","90","","94.93","0.003","90","","2384.9","0.6","130","","130","","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C22 H31 B2 Br O4 -","- C22 H31 B2 Br O4 -","- C88 H124 B8 Br4 O16 -","4","2","","Tang, Wenjun; Liu, Jiawang; Nie, Ming; Zhou, Qing-Hai; Gao, Shen; Jiang, Wenhao; Chung, Lung Wa; Ding, Kuiling","Enantioselective Palladium-Catalyzed Diboration of 1,1-Disubstituted Allenes","Chem. Sci.","2017","","","","","10.1039/C7SC01254C","","","0.71073","MoKα","","0.0995","0.0494","","","0.0935","0.1093","","","","","","0.944","","","","has coordinates","196710","2020-10-21","18:00:00",""
"1546043","24.72245","0.00042","5.994222","0.00009","14.31013","0.00041","90","","90","","90","","2120.64","0.08","298","","298","","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","coumarin","2H-chromene-2-one","","- C9 H6 O2 -","- C9 H6 O2 -","- C108 H72 O24 -","12","3","","Shtukenberg, Alexander G.; Zhu, Qiang; Carter, Damien J.; Vogt, Leslie; Hoja, Johannes; Schneider, Elia; Song, Hongxing; Pokroy, Boaz; Polishchuk, Iryna; Tkatchenko, Alexandre; Oganov, Artem R.; Rohl, Andrew L.; Tuckerman, Mark E.; Kahr, Bart","Powder diffraction and crystal structure prediction identify four new coumarin polymorphs","Chem. Sci.","2017","","","","","10.1039/C7SC00168A","powder diffraction","x-ray","0.39992","","","","","","","","","","7.83","2.054","","","","","","","has coordinates","196711","2020-10-21","18:00:00",""
"1546044","16.78223","0.00033","5.92141","0.00013","13.85224","0.00055","90","","90","","90","","1376.56","0.07","90","","90","","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","coumarin","2H-chromene-2-one","","- C9 H6 O2 -","- C9 H6 O2 -","- C72 H48 O16 -","8","2","","Shtukenberg, Alexander G.; Zhu, Qiang; Carter, Damien J.; Vogt, Leslie; Hoja, Johannes; Schneider, Elia; Song, Hongxing; Pokroy, Boaz; Polishchuk, Iryna; Tkatchenko, Alexandre; Oganov, Artem R.; Rohl, Andrew L.; Tuckerman, Mark E.; Kahr, Bart","Powder diffraction and crystal structure prediction identify four new coumarin polymorphs","Chem. Sci.","2017","","","","","10.1039/C7SC00168A","powder diffraction","x-ray","0.39992","","","","","","","","","","3.76","1.354","","","","","","","has coordinates","196711","2020-10-21","18:00:00",""
"1546045","17.06176","0.00086","6.03613","0.00038","13.9083","0.0016","90","","90","","90","","1432.4","0.2","298","","298","","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","coumarin","2H-chromene-2-one","","- C9 H6 O2 -","- C9 H6 O2 -","- C72 H48 O16 -","8","2","","Shtukenberg, Alexander G.; Zhu, Qiang; Carter, Damien J.; Vogt, Leslie; Hoja, Johannes; Schneider, Elia; Song, Hongxing; Pokroy, Boaz; Polishchuk, Iryna; Tkatchenko, Alexandre; Oganov, Artem R.; Rohl, Andrew L.; Tuckerman, Mark E.; Kahr, Bart","Powder diffraction and crystal structure prediction identify four new coumarin polymorphs","Chem. Sci.","2017","","","","","10.1039/C7SC00168A","powder diffraction","x-ray","1.54056","","","","","","","","","","2.19","2.26","","","","","","","has coordinates","196711","2020-10-21","18:00:00",""
"1546046","24.27024","0.00027","5.92062","0.000065","14.18934","0.00027","90","","90","","90","","2038.94","0.05","90","","90","","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","coumarin","2H-chromene-2-one","","- C9 H6 O2 -","- C9 H6 O2 -","- C108 H72 O24 -","12","3","","Shtukenberg, Alexander G.; Zhu, Qiang; Carter, Damien J.; Vogt, Leslie; Hoja, Johannes; Schneider, Elia; Song, Hongxing; Pokroy, Boaz; Polishchuk, Iryna; Tkatchenko, Alexandre; Oganov, Artem R.; Rohl, Andrew L.; Tuckerman, Mark E.; Kahr, Bart","Powder diffraction and crystal structure prediction identify four new coumarin polymorphs","Chem. Sci.","2017","","","","","10.1039/C7SC00168A","powder diffraction","x-ray","0.39992","","","","","","","","","","4.05","1.387","","","","","","","has coordinates","196711","2020-10-21","18:00:00",""
"1546047","4.86771","0.00038","6.88178","0.00058","20.8508","0.0011","90","","90","","90","","698.47","0.09","298","","298","","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","coumarin","2H-chromene-2-one","","- C9 H6 O2 -","- C9 H6 O2 -","- C36 H24 O8 -","4","1","","Shtukenberg, Alexander G.; Zhu, Qiang; Carter, Damien J.; Vogt, Leslie; Hoja, Johannes; Schneider, Elia; Song, Hongxing; Pokroy, Boaz; Polishchuk, Iryna; Tkatchenko, Alexandre; Oganov, Artem R.; Rohl, Andrew L.; Tuckerman, Mark E.; Kahr, Bart","Powder diffraction and crystal structure prediction identify four new coumarin polymorphs","Chem. Sci.","2017","","","","","10.1039/C7SC00168A","powder diffraction","x-ray","1.54056","","","","","","","","","","4.31","1.765","","","","","","","has coordinates","196711","2020-10-21","18:00:00",""
"1546048","3.97954","0.00016","15.2907","0.0003","5.8583","0.0002","90","","94.237","0.005","90","","355.5","0.02","298","","298","","","","","","","","","3","P 1 21 1","P 2yb","4","coumarin","2H-chromene-2-one","","- C9 H6 O2 -","- C9 H6 O2 -","- C18 H12 O4 -","2","1","","Shtukenberg, Alexander G.; Zhu, Qiang; Carter, Damien J.; Vogt, Leslie; Hoja, Johannes; Schneider, Elia; Song, Hongxing; Pokroy, Boaz; Polishchuk, Iryna; Tkatchenko, Alexandre; Oganov, Artem R.; Rohl, Andrew L.; Tuckerman, Mark E.; Kahr, Bart","Powder diffraction and crystal structure prediction identify four new coumarin polymorphs","Chem. Sci.","2017","","","","","10.1039/C7SC00168A","powder diffraction","x-ray","0.410639","","","","","","","","","","11.96","1.49","","","","","","","has coordinates","196711","2020-10-21","18:00:00",""
"1546049","13.5539","0.0008","5.4096","0.0003","15.0157","0.0009","90","","108.421","0.006","90","","1044.56","0.11","120","0.1","120","0.1","","","","","","","","5","P 1 21 1","P 2yb","4","","4-chlorophenylalanine","","- C9 H12 Cl N O3 -","- C9 H12 Cl N O3 -","- C36 H48 Cl4 N4 O12 -","4","2","","Ramalhete, Susana; Foster, Jamie S.; Green, Hayley R.; Nartowski, Karol P.; Heinrich, Margaux; Martin, Peter; Khimyak, Yaroslav Z.; Lloyd, Gareth O.","FDHALO17: Halogen effects on the solid-state packing of phenylalanine derivatives and the resultant gelation properties","Faraday Discuss.","2017","","","","","10.1039/C7FD00108H","","","1.54184","CuKα","","0.0726","0.0685","","","0.164","0.1687","","","","","","1.076","","","","has coordinates","214153","2020-10-21","18:00:00",""
"1546050","13.1","0.003","5.4019","0.0012","14.423","0.004","90","","100.712","0.008","90","","1002.9","0.4","100","","100","","","","","","","","","5","P 1 21 1","P 2yb","4","","2,4-difluoro-phenylalanine","","- C9 H11 F2 N O3 -","- C9 H11 F2 N O3 -","- C36 H44 F8 N4 O12 -","4","2","","Ramalhete, Susana; Foster, Jamie S.; Green, Hayley R.; Nartowski, Karol P.; Heinrich, Margaux; Martin, Peter; Khimyak, Yaroslav Z.; Lloyd, Gareth O.","FDHALO17: Halogen effects on the solid-state packing of phenylalanine derivatives and the resultant gelation properties","Faraday Discuss.","2017","","","","","10.1039/C7FD00108H","","","0.71073","MoKα","","0.0831","0.0452","","","0.0787","0.0894","","","","","","1.03","","","","has coordinates","196734","2020-10-21","18:00:00",""
"1546051","6.3036","0.0004","5.3042","0.0003","15.9161","0.0009","90","","97.947","0.003","90","","527.05","0.05","100","","100","","","","","","","","","5","P 1 21 1","P 2yb","4","","4-bromophenylalanine","","- C9 H12 Br N O3 -","- C9 H12 Br N O3 -","- C18 H24 Br2 N2 O6 -","2","1","","Ramalhete, Susana; Foster, Jamie S.; Green, Hayley R.; Nartowski, Karol P.; Heinrich, Margaux; Martin, Peter; Khimyak, Yaroslav Z.; Lloyd, Gareth O.","FDHALO17: Halogen effects on the solid-state packing of phenylalanine derivatives and the resultant gelation properties","Faraday Discuss.","2017","","","","","10.1039/C7FD00108H","","","0.71073","MoKα","","0.0206","0.0183","","","0.0388","0.0392","","","","","","1","","","","has coordinates","196734","2020-10-21","18:00:00",""
"1546052","13.3028","0.0014","5.4628","0.0006","14.0151","0.0015","90","","104.048","0.005","90","","988.02","0.19","100","","100","","","","","","","","","5","P 1 21 1","P 2yb","4","","4-fluorophenylalanine","","- C9 H12 F N O3 -","- C9 H12 F N O3 -","- C36 H48 F4 N4 O12 -","4","2","","Ramalhete, Susana; Foster, Jamie S.; Green, Hayley R.; Nartowski, Karol P.; Heinrich, Margaux; Martin, Peter; Khimyak, Yaroslav Z.; Lloyd, Gareth O.","FDHALO17: Halogen effects on the solid-state packing of phenylalanine derivatives and the resultant gelation properties","Faraday Discuss.","2017","","","","","10.1039/C7FD00108H","","","0.71073","MoKα","","0.0366","0.0324","","","0.0819","0.0844","","","","","","1.031","","","","has coordinates","196734","2020-10-21","18:00:00",""
"1546053","5.3139","0.0003","6.3152","0.0004","32.741","0.002","90","","90","","90","","1098.73","0.11","100","","100","","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","4-Iodophenylalanine","","- C9 H12 I N O3 -","- C9 H12 I N O3 -","- C36 H48 I4 N4 O12 -","4","1","","Ramalhete, Susana; Foster, Jamie S.; Green, Hayley R.; Nartowski, Karol P.; Heinrich, Margaux; Martin, Peter; Khimyak, Yaroslav Z.; Lloyd, Gareth O.","FDHALO17: Halogen effects on the solid-state packing of phenylalanine derivatives and the resultant gelation properties","Faraday Discuss.","2017","","","","","10.1039/C7FD00108H","","","0.71073","MoKα","","0.0455","0.0451","","","0.1057","0.1059","","","","","","1.321","","","","has coordinates","196734","2020-10-21","18:00:00",""
"1546054","9.2035","0.0005","11.3936","0.0007","18.5083","0.0018","90","","103.339","0.006","90","","1888.4","0.2","200","2","200","2","","","","","","","synthesis as described","6","P 1 21/n 1","-P 2yn","14","","","","- C20 H36 Br2 I6 N4 Ru -","- C20 H36 Br2 I6 N4 Ru -","- C40 H72 Br4 I12 N8 Ru2 -","2","0.5","","Mosquera, Marta Elena Gonzalez; Gomez-Sal, Pilar; Egido, Irene; López López, María; Hortelano, Carlos","FDHALO17: Comparison of Halogen Bonding networks with Ru(II) complexes and analysis of the influence of the XB interaction on their reactivity","Faraday Discuss.","2017","","","","","10.1039/C7FD00079K","","x-ray","0.71073","MoKα","","0.0698","0.0513","","","0.147","0.1602","","","","","","1.082","","","","has coordinates","196735","2020-10-21","18:00:00",""
"1546055","13.906","0.001","13.906","0.001","8.6877","0.0003","90","","90","","90","","1680","0.18","200","2","200","2","","","","","","","synthesis as described","5","P 4 n c","P 4 -2n","104","","","","- C36 H36 Cl2 N4 Ru -","- C36 H36 Cl2 N4 Ru -","- C72 H72 Cl4 N8 Ru2 -","2","0.25","","Mosquera, Marta Elena Gonzalez; Gomez-Sal, Pilar; Egido, Irene; López López, María; Hortelano, Carlos","FDHALO17: Comparison of Halogen Bonding networks with Ru(II) complexes and analysis of the influence of the XB interaction on their reactivity","Faraday Discuss.","2017","","","","","10.1039/C7FD00079K","","x-ray","0.71073","MoKα","","0.0699","0.0336","","","0.0695","0.0873","","","","","","0.923","","","","has coordinates","196735","2020-10-21","18:00:00",""
"1546056","9.563","0.0006","10.473","0.004","10.744","0.001","67.46","0.005","79.07","0.006","74.903","0.005","954.7","0.4","200","2","200","2","","","","","","","synthesis as described","6","P -1","-P 1","2","","","","- C36 H36 Br2 I2 N4 Ru -","- C36 H36 Br2 I2 N4 Ru -","- C36 H36 Br2 I2 N4 Ru -","1","0.5","","Mosquera, Marta Elena Gonzalez; Gomez-Sal, Pilar; Egido, Irene; López López, María; Hortelano, Carlos","FDHALO17: Comparison of Halogen Bonding networks with Ru(II) complexes and analysis of the influence of the XB interaction on their reactivity","Faraday Discuss.","2017","","","","","10.1039/C7FD00079K","","x-ray","0.71073","MoKα","","0.0843","0.0511","","","0.1478","0.1635","","","","","","1.06","","","","has coordinates","196735","2020-10-21","18:00:00",""
"1546057","9.789","0.0016","11.319","0.0006","17.303","0.0018","89.362","0.007","76.377","0.007","85.007","0.009","1856.1","0.4","200","2","200","2","","","","","","","synthesis as described","5","P -1","-P 1","2","","","","- C36 H36 Br4 N4 Ru -","- C36 H36 Br4 N4 Ru -","- C72 H72 Br8 N8 Ru2 -","2","1","","Mosquera, Marta Elena Gonzalez; Gomez-Sal, Pilar; Egido, Irene; López López, María; Hortelano, Carlos","FDHALO17: Comparison of Halogen Bonding networks with Ru(II) complexes and analysis of the influence of the XB interaction on their reactivity","Faraday Discuss.","2017","","","","","10.1039/C7FD00079K","","x-ray","0.71073","MoKα","","0.1021","0.0764","","","0.2382","0.2593","","","","","","1.053","","","","has coordinates","196735","2020-10-21","18:00:00",""
"1546058","11.3121","0.0017","11.3121","0.0017","13.6918","0.001","90","","90","","90","","1752.1","0.4","200","2","200","2","","","","","","","synthesis as described","5","P 42/m n m","-P 4n 2n","136","","","","- C20 H36 Br6 N4 Ru -","- C20 H36 Br6 N4 Ru -","- C40 H72 Br12 N8 Ru2 -","2","0.125","","Mosquera, Marta Elena Gonzalez; Gomez-Sal, Pilar; Egido, Irene; López López, María; Hortelano, Carlos","FDHALO17: Comparison of Halogen Bonding networks with Ru(II) complexes and analysis of the influence of the XB interaction on their reactivity","Faraday Discuss.","2017","","","","","10.1039/C7FD00079K","","x-ray","0.71073","MoKα","","0.0791","0.0595","","","0.1546","0.1717","","","","","","1.082","","","","has coordinates","196735","2020-10-21","18:00:00",""
"1546059","9.616","0.001","10.4083","0.0005","11.1012","0.0008","68.06","0.006","78.128","0.007","72.29","0.005","976.42","0.14","200","2","200","2","","","","","","","synthesis as described","5","P -1","-P 1","2","","","","- C36 H36 I4 N4 Ru -","- C36 H36 I4 N4 Ru -","- C36 H36 I4 N4 Ru -","1","0.5","","Mosquera, Marta Elena Gonzalez; Gomez-Sal, Pilar; Egido, Irene; López López, María; Hortelano, Carlos","FDHALO17: Comparison of Halogen Bonding networks with Ru(II) complexes and analysis of the influence of the XB interaction on their reactivity","Faraday Discuss.","2017","","","","","10.1039/C7FD00079K","","x-ray","0.71073","MoKα","","0.0693","0.0387","","","0.0927","0.104","","","","","","1.021","","","","has coordinates","196735","2020-10-21","18:00:00",""
"1546060","7.918","0.0009","10.314","0.0006","13.411","0.001","92.609","0.007","100.426","0.009","102.641","0.005","1046.89","0.16","200","2","200","2","","","","","","","synthesis as described","6","P -1","-P 1","2","","","","- C36 H36 Cl2.17 I3.83 N4 Ru -","- C36 H36 Cl2.172 I3.828 N4 Ru -","- C36 H36 Cl2.172 I3.828 N4 Ru -","1","0.5","","Mosquera, Marta Elena Gonzalez; Gomez-Sal, Pilar; Egido, Irene; López López, María; Hortelano, Carlos","FDHALO17: Comparison of Halogen Bonding networks with Ru(II) complexes and analysis of the influence of the XB interaction on their reactivity","Faraday Discuss.","2017","","","","","10.1039/C7FD00079K","","x-ray","0.71073","MoKα","","0.082","0.0458","","","0.1147","0.1258","","","","","","1.051","","","","has coordinates","196735","2020-10-21","18:00:00",""
"1546061","9.5548","0.0018","10.4967","0.0006","10.5869","0.0012","67.342","0.009","80.018","0.012","75.957","0.009","946.8","0.2","200","2","200","2","","","","","","","synthesis as described","6","P -1","-P 1","2","","","","- C36 H36 Cl2 I2 N4 Ru -","- C36 H36 Cl2 I2 N4 Ru -","- C36 H36 Cl2 I2 N4 Ru -","1","0.5","","Mosquera, Marta Elena Gonzalez; Gomez-Sal, Pilar; Egido, Irene; López López, María; Hortelano, Carlos","FDHALO17: Comparison of Halogen Bonding networks with Ru(II) complexes and analysis of the influence of the XB interaction on their reactivity","Faraday Discuss.","2017","","","","","10.1039/C7FD00079K","","x-ray","0.71073","MoKα","","0.0784","0.0522","","","0.1516","0.1693","","","","","","1.021","","","","has coordinates","196735","2020-10-21","18:00:00",""
"1546062","9.567","0.001","10.4897","0.0006","10.691","0.001","67.358","0.007","79.414","0.01","75.292","0.007","953.31","0.15","200","2","200","2","","","","","","","synthesis as described","6","P -1","-P 1","2","","","","- C36 H36 Br2 Cl2 N4 Ru -","- C36 H36 Br2 Cl2 N4 Ru -","- C36 H36 Br2 Cl2 N4 Ru -","1","0.5","","Mosquera, Marta Elena Gonzalez; Gomez-Sal, Pilar; Egido, Irene; López López, María; Hortelano, Carlos","FDHALO17: Comparison of Halogen Bonding networks with Ru(II) complexes and analysis of the influence of the XB interaction on their reactivity","Faraday Discuss.","2017","","","","","10.1039/C7FD00079K","","x-ray","0.71073","MoKα","","0.1295","0.1005","","","0.333","0.3693","","","","","","1.543","","","","has coordinates","196735","2020-10-21","18:00:00",""
"1546063","16.5219","0.0008","13.6105","0.001","17.4958","0.001","90","","116.603","0.004","90","","3517.8","0.4","200","2","200","2","","","","","","","synthesis as described","6","C 1 2/c 1","-C 2yc","15","","","","- C36 H38 Br2 N4 O Ru -","- C36 H38 Br2 N4 O Ru -","- C144 H152 Br8 N16 O4 Ru4 -","4","0.5","","Mosquera, Marta Elena Gonzalez; Gomez-Sal, Pilar; Egido, Irene; López López, María; Hortelano, Carlos","FDHALO17: Comparison of Halogen Bonding networks with Ru(II) complexes and analysis of the influence of the XB interaction on their reactivity","Faraday Discuss.","2017","","","","","10.1039/C7FD00079K","","x-ray","0.71073","MoKα","","0.0875","0.0594","","","0.1646","0.1803","","","","","","1.046","","","","has coordinates","196735","2020-10-21","18:00:00",""
"1546064","10.8205","0.0009","10.0771","0.0005","18.3892","0.0014","90","","104.044","0.008","90","","1945.2","0.2","200","2","200","2","","","","","","","synthesis as described","5","P 1 21/n 1","-P 2yn","14","","","","- C20 H36 I8 N4 Ru -","- C20 H36 I8 N4 Ru -","- C40 H72 I16 N8 Ru2 -","2","0.5","","Mosquera, Marta Elena Gonzalez; Gomez-Sal, Pilar; Egido, Irene; López López, María; Hortelano, Carlos","FDHALO17: Comparison of Halogen Bonding networks with Ru(II) complexes and analysis of the influence of the XB interaction on their reactivity","Faraday Discuss.","2017","","","","","10.1039/C7FD00079K","","x-ray","0.71073","MoKα","","0.0851","0.056","","","0.1657","0.1845","","","","","","1.079","","","","has coordinates","196735","2020-10-21","18:00:00",""
"1546065","16.6612","0.0017","9.776","0.0008","18.368","0.002","90","","115.466","0.008","90","","2701.1","0.5","200","2","200","2","","","","","","","synthesis as described","5","C 1 2/c 1","-C 2yc","15","","","","- C20 H36 Br2 N4 Ru -","- C20 H36 Br2 N4 Ru -","- C80 H144 Br8 N16 Ru4 -","4","0.5","","Mosquera, Marta Elena Gonzalez; Gomez-Sal, Pilar; Egido, Irene; López López, María; Hortelano, Carlos","FDHALO17: Comparison of Halogen Bonding networks with Ru(II) complexes and analysis of the influence of the XB interaction on their reactivity","Faraday Discuss.","2017","","","","","10.1039/C7FD00079K","","x-ray","0.71073","MoKα","","0.061","0.0395","","","0.0845","0.094","","","","","","0.914","","","","has coordinates","196735","2020-10-21","18:00:00",""
"1546066","11.15632","0.00015","11.63305","0.00016","22.483","0.0003","90","","102.758","0.0013","90","","2845.85","0.07","173.01","0.1","173.01","0.1","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C25 H24 B Cl2 Cu F4 N6 -","- C25 H24 B Cl2 Cu F4 N6 -","- C100 H96 B4 Cl8 Cu4 F16 N24 -","4","1","","Lalevée, Jacques; Dietlin, Céline; Morlet-Savary, Fabrice; Fouassier, Jean Pierre; Gigmes, Didier; Dumur, Frederic; Kermagoret, Anthony; Garra, Patxi; Mousawi, Assi","New copper (I) complex based initiating systems in redox polymerization and comparison with amine/benzoyl peroxide reference","Polym. Chem.","2017","","","","","10.1039/C7PY00726D","","x-ray","1.54184","CuKα","","0.0481","0.0437","","","0.1208","0.1254","","","","","","1.043","","","","has coordinates","196751","2020-10-21","18:00:00",""
"1546067","12.3268","0.0003","21.2128","0.0005","19.3122","0.0005","90","","104.764","0.003","90","","4883.1","0.2","293","","293","","","","","","","","","8","P 1 21/c 1","-P 2ybc","14","","","","- C52 H49 B Cu F4 N3 O2 P2 -","- C52 H49 B Cu F4 N3 O2 P2 -","- C208 H196 B4 Cu4 F16 N12 O8 P8 -","4","1","","Lalevée, Jacques; Dietlin, Céline; Morlet-Savary, Fabrice; Fouassier, Jean Pierre; Gigmes, Didier; Dumur, Frederic; Kermagoret, Anthony; Garra, Patxi; Mousawi, Assi","New copper (I) complex based initiating systems in redox polymerization and comparison with amine/benzoyl peroxide reference","Polym. Chem.","2017","","","","","10.1039/C7PY00726D","","x-ray","0.71073","MoKα","","0.0797","0.0574","","","0.1496","0.165","","","","","","1.015","","","","has coordinates,has disorder","196751","2020-10-21","18:00:00",""
"1546068","13.8163","0.0005","18.0472","0.0005","18.3229","0.0006","79.946","0.003","89.601","0.003","82.37","0.003","4458.1","0.3","173","","173","","","","","","","","","7","P -1","-P 1","2","","","","- C109 H90 B Cl6 O Os P3 -","- C109 H90 B Cl6 O Os P3 -","- C218 H180 B2 Cl12 O2 Os2 P6 -","2","1","","He, Xumin; He, Xiehua; Li, Shenyan; Zhuo, Kaiyue; Qin, Weixiang; Dong, Shuyu; Chen, Jiangxi; Ren, Lei; Liu, Gang; Xia, Haiping","Amphipathic Metal-Containing Macromolecules with Photothermal Properties","Polym. Chem.","2017","","","","","10.1039/C7PY00641A","","","1.54184","CuKα","","0.0397","0.0358","","","0.0887","0.0917","","","","","","1.029","","","","has coordinates,has disorder","196752","2020-10-21","18:00:00",""
"1546069","9.11756","0.0001","21.6446","0.0002","17.9917","0.0002","90","","98.128","0.001","90","","3514.92","0.06","293","2","293","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C24 H47 N11 O13 -","- C24 H43.6 N11 O13 -","- C96 H174.4 N44 O52 -","4","1","","Marafon, Giulia; Menegazzo, Ileana; De Zotti, Marta; Crisma, Marco; Toniolo, Claudio; Moretto, Alessandro","Tuning morphological architectures generated through living supramolecular assembly of a helical foldamer end-capped with two complementary nucleobases.","Soft matter","2017","","","","","10.1039/c7sm00764g","","","1.54178","CuKα","","0.0649","0.0565","","","0.1647","0.1744","","","","","","1.035","","","","has coordinates","196757","2020-10-21","18:00:00",""
"1546070","10.7942","0.0005","18.8139","0.0006","16.8871","0.0008","90","","98.486","0.004","90","","3391.9","0.3","293","2","293","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C31 H46 N6 O8 -","- C31 H46 N6 O8 -","- C124 H184 N24 O32 -","4","1","","Marafon, Giulia; Menegazzo, Ileana; De Zotti, Marta; Crisma, Marco; Toniolo, Claudio; Moretto, Alessandro","Tuning morphological architectures generated through living supramolecular assembly of a helical foldamer end-capped with two complementary nucleobases.","Soft matter","2017","","","","","10.1039/c7sm00764g","","","1.54178","CuKα","","0.0788","0.0614","","","0.1748","0.1939","","","","","","1.037","","","","has coordinates,has disorder","196757","2020-10-21","18:00:00",""
"1546072","13.939","0.002","11.8628","0.0016","12.342","0.002","90","","105.579","0.018","90","","1965.8","0.5","293","2","293","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C23 H18 O4 S -","- C23 H18 O4 S -","- C92 H72 O16 S4 -","4","1","","Wu, Wanqing; Yi, Songjian; Huang, Wei; Luo, Di; Jiang, Huanfeng","Ag-Catalyzed Oxidative Cyclization Reaction of 1,6-Enynes and Sodium Sulfinate: Access to Sulfonylated Benzofurans.","Organic letters","2017","19","11","2825","2828","10.1021/acs.orglett.7b00980","","","0.71","synchrotron","","0.0693","0.0431","","","0.0935","0.1066","","","","","","1.0608","","","","has coordinates","214153","2020-10-21","18:00:00",""
"1546073","9.6711","0.0006","19.4443","0.0014","11.2024","0.0007","90","","95.091","0.006","90","","2098.3","0.2","292.13","0.1","292.13","0.1","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C24 H23 N O6 -","- C24 H23 N O6 -","- C96 H92 N4 O24 -","4","1","","Ma, Xiao-Yan; An, Xian-Tao; Zhao, Xian-He; Du, Ji-Yuan; Deng, Yu-Hua; Zhang, Xiang-Zhi; Fan, Chun-An","Au-Catalyzed [2 + 3] Annulation of Enamides with Propargyl Esters: Total Synthesis of Cephalotaxine and Cephalezomine H.","Organic letters","2017","19","11","2965","2968","10.1021/acs.orglett.7b01202","","","0.7107","MoKα","","0.204","0.0758","","","0.1386","0.1956","","","","","","1.001","","","","has coordinates","197514","2020-10-21","18:00:00",""
"1546074","25.91","0.02","11.234","0.009","17.776","0.014","90","","126.13","0.007","90","","4179","6","296","2","296","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C24 H25 N O4 -","- C24 H25 N O4 -","- C192 H200 N8 O32 -","8","1","","Ma, Xiao-Yan; An, Xian-Tao; Zhao, Xian-He; Du, Ji-Yuan; Deng, Yu-Hua; Zhang, Xiang-Zhi; Fan, Chun-An","Au-Catalyzed [2 + 3] Annulation of Enamides with Propargyl Esters: Total Synthesis of Cephalotaxine and Cephalezomine H.","Organic letters","2017","19","11","2965","2968","10.1021/acs.orglett.7b01202","","","0.71073","MoKα","","0.0953","0.0482","","","0.1129","0.1405","","","","","","1.023","","","","has coordinates","197514","2020-10-21","18:00:00",""
"1546075","8.4092","0.0011","18.977","0.002","21.008","0.003","90","","92.133","0.012","90","","3350.2","0.7","293","2","293","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C19 H21 N O5 -","- C19 H21 N O5 -","- C152 H168 N8 O40 -","8","2","","Ma, Xiao-Yan; An, Xian-Tao; Zhao, Xian-He; Du, Ji-Yuan; Deng, Yu-Hua; Zhang, Xiang-Zhi; Fan, Chun-An","Au-Catalyzed [2 + 3] Annulation of Enamides with Propargyl Esters: Total Synthesis of Cephalotaxine and Cephalezomine H.","Organic letters","2017","19","11","2965","2968","10.1021/acs.orglett.7b01202","","","0.71073","MoKα","","0.2311","0.0995","","","0.2197","0.2904","","","","","","1.027","","","","has coordinates","214153","2020-10-21","18:00:00",""
"1546076","7.5258","0.0004","11.7781","0.0005","12.4974","0.0006","80.639","0.004","77.851","0.004","78.666","0.004","1053.3","0.09","293","2","293","2","","","","","","","","4","P -1","-P 1","2","","","","- C24 H25 N O5 -","- C24 H25 N O5 -","- C48 H50 N2 O10 -","2","1","","Ma, Xiao-Yan; An, Xian-Tao; Zhao, Xian-He; Du, Ji-Yuan; Deng, Yu-Hua; Zhang, Xiang-Zhi; Fan, Chun-An","Au-Catalyzed [2 + 3] Annulation of Enamides with Propargyl Esters: Total Synthesis of Cephalotaxine and Cephalezomine H.","Organic letters","2017","19","11","2965","2968","10.1021/acs.orglett.7b01202","","","1.54184","CuKα","","0.0576","0.0529","","","0.146","0.1528","","","","","","1.035","","","","has coordinates","197514","2020-10-21","18:00:00",""
"1546077","10.1412","0.0016","18.601","0.004","11.3292","0.0016","90","","91.857","0.014","90","","2136","0.6","292.11","0.1","292.11","0.1","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C24 H22 Br N O5 -","- C24 H22 Br N O5 -","- C96 H88 Br4 N4 O20 -","4","1","","Ma, Xiao-Yan; An, Xian-Tao; Zhao, Xian-He; Du, Ji-Yuan; Deng, Yu-Hua; Zhang, Xiang-Zhi; Fan, Chun-An","Au-Catalyzed [2 + 3] Annulation of Enamides with Propargyl Esters: Total Synthesis of Cephalotaxine and Cephalezomine H.","Organic letters","2017","19","11","2965","2968","10.1021/acs.orglett.7b01202","","","0.7107","MoKα","","0.1809","0.0773","","","0.1765","0.2735","","","","","","1.005","","","","has coordinates","197514","2020-10-21","18:00:00",""
"1546078","11.0551","0.0005","16.7135","0.0007","16.0419","0.0007","90","","90.679","0.001","90","","2963.8","0.2","200","2","200","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C38 H30 N2 O2 S -","- C38 H30 N2 O2 S -","- C152 H120 N8 O8 S4 -","4","1","","Shin, Jinhwan; Lee, Jiyoun; Ko, Donguk; De, Nirupam; Yoo, Eun Jeong","Synthesis of Fused Polycyclic 1,4-Benzodiazepines via Metal-Free Cascade [5 + 2]/[2 + 2] Cycloadditions.","Organic letters","2017","","","","","10.1021/acs.orglett.7b01137","","","0.71073","MoKα","","0.1301","0.0922","","","0.2514","0.3164","","","","","","1.125","","","","has coordinates","196797","2020-10-21","18:00:00",""
"1546079","7.611","0.002","11.49","0.003","11.506","0.003","105.352","0.009","94.19","0.009","109.278","0.008","901.5","0.4","100","2","100","2","","","","","","","","3","P -1","-P 1","2","","","","- C25 H24 O2 -","- C25 H24 O2 -","- C50 H48 O4 -","2","1","","Xie, Jiaxin; Wang, Jianchun; Dong, Guangbin","Synthetic Study of Phainanoids. Highly Diastereoselective Construction of the 4,5-Spirocycle via Palladium-Catalyzed Intramolecular Alkenylation.","Organic letters","2017","19","11","3017","3020","10.1021/acs.orglett.7b01303","","","0.71073","MoKα","","0.0661","0.0468","","","0.1034","0.1114","","","","","","1.038","","","","has coordinates","197509","2020-10-21","18:00:00",""
"1546080","12.8153","0.0016","12.8153","0.0016","38.817","0.005","90","","90","","120","","5520.9","1.2","100","2","100","2","","","","","","","","7","P 32 2 1","P 32 2""","154","","","","- C56 H48 Br6 Fe2 N8 O16 Zn3 -","- C56 H48 Br6 Fe2 N8 O16 Zn3 -","- C168 H144 Br18 Fe6 N24 O48 Zn9 -","3","0.5","","Brechin, Euan K.; Sanz, Sergio; O'Connor, Helen; Martí-Centelles, Vicente; Comar, Priyanka; Pitak, Mateusz; Coles, Simon; Lorusso, Giulia; Palacios, Elias; Evangelisti, Marco; Baldansuren, Amgalanbaatar; Chilton, Nicholas F.; Weihe, Høgni; McInnes, Eric J. L.; Lusby, Paul; Piligkos, Stergios","[MIII2MII3]n+ trigonal bipyramidal cages based on diamagnetic and paramagnetic metalloligands.","Chem. Sci.","2017","","","","","10.1039/C7SC00487G","","","0.71075","MoKα","","0.0409","0.0379","","","0.1091","0.1104","","","","","","1.04","","","","has coordinates,has disorder","196811","2020-10-21","18:00:00",""
"1546081","13.2429","0.001","13.2429","0.001","38.38","0.003","90","","90","","120","","5829.1","0.8","100","2","100","2","","","","","","","","7","P 32 2 1","P 32 2""","154","","","","- C56 H48 Br6 Cr2 N6 O14 Zn3 -","- C56 H48 Br6 Cr2 N6 O14 Zn3 -","- C168 H144 Br18 Cr6 N18 O42 Zn9 -","3","0.5","","Brechin, Euan K.; Sanz, Sergio; O'Connor, Helen; Martí-Centelles, Vicente; Comar, Priyanka; Pitak, Mateusz; Coles, Simon; Lorusso, Giulia; Palacios, Elias; Evangelisti, Marco; Baldansuren, Amgalanbaatar; Chilton, Nicholas F.; Weihe, Høgni; McInnes, Eric J. L.; Lusby, Paul; Piligkos, Stergios","[MIII2MII3]n+ trigonal bipyramidal cages based on diamagnetic and paramagnetic metalloligands.","Chem. Sci.","2017","","","","","10.1039/C7SC00487G","","","0.71075","MoKα","","0.0605","0.0512","","","0.1432","0.1521","","","","","","0.971","","","","has coordinates,has disorder","196811","2020-10-21","18:00:00",""
"1546082","12.7708","0.0005","12.7708","0.0005","39.0709","0.0012","90","","90","","120","","5518.5","0.3","100","2","100","2","","","","","","","","7","P 32 2 1","P 32 2""","154","","","","- C54 H48 Cl6 Co3 Fe2 N6 O12 -","- C54 H48 Cl6 Co3 Fe2 N6 O12 -","- C162 H144 Cl18 Co9 Fe6 N18 O36 -","3","0.5","","Brechin, Euan K.; Sanz, Sergio; O'Connor, Helen; Martí-Centelles, Vicente; Comar, Priyanka; Pitak, Mateusz; Coles, Simon; Lorusso, Giulia; Palacios, Elias; Evangelisti, Marco; Baldansuren, Amgalanbaatar; Chilton, Nicholas F.; Weihe, Høgni; McInnes, Eric J. L.; Lusby, Paul; Piligkos, Stergios","[MIII2MII3]n+ trigonal bipyramidal cages based on diamagnetic and paramagnetic metalloligands.","Chem. Sci.","2017","","","","","10.1039/C7SC00487G","","","0.71075","MoKα","","0.0887","0.0732","","","0.2109","0.2322","","","","","","1.02","","","","has coordinates","196811","2020-10-21","18:00:00",""
"1546083","18.4407","0.0009","22.0037","0.0009","27.1925","0.001","104.146","0.003","109.298","0.004","95.522","0.004","9907.3","0.8","120","","120","","","","","","","","","9","P -1","-P 1","2","","","","- C158 H194 Cr2 F18 N6 O47 P6 Pd3 S6 -","- C137 H126 Cr2 F6 N6 O18 P6 Pd3 S2 -","- C274 H252 Cr4 F12 N12 O36 P12 Pd6 S4 -","2","1","","Brechin, Euan K.; Sanz, Sergio; O'Connor, Helen; Martí-Centelles, Vicente; Comar, Priyanka; Pitak, Mateusz; Coles, Simon; Lorusso, Giulia; Palacios, Elias; Evangelisti, Marco; Baldansuren, Amgalanbaatar; Chilton, Nicholas F.; Weihe, Høgni; McInnes, Eric J. L.; Lusby, Paul; Piligkos, Stergios","[MIII2MII3]n+ trigonal bipyramidal cages based on diamagnetic and paramagnetic metalloligands.","Chem. Sci.","2017","","","","","10.1039/C7SC00487G","","x-ray","1.54184","CuKα","","0.105","0.0806","","","0.2197","0.2423","","","","","","1.037","","","","has coordinates,has disorder","196811","2020-10-21","18:00:00",""
"1546084","11.014","0.003","13.291","0.004","13.869","0.005","90","","90","","90","","2030.2","1.1","295","2","295","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C23 H32 O4 -","- C23 H32 O4 -","- C92 H128 O16 -","4","1","","Zhao, Jinlian; Feng, Jiamin; Tan, Zhen; Liu, Jimei; Zhao, Jianyuan; Chen, Ridao; Xie, Kebo; Zhang, Dewu; Li, Yan; Yu, Liyan; Chen, Xiaoguang; Dai, Jungui","Stachybotrysins A‒G, Phenylspirodrimane Derivatives from the Fungus Stachybotrys chartarum","Journal of Natural Products","2017","","","","","10.1021/acs.jnatprod.7b00014","","","1.54178","CuKα","","0.0837","0.0733","","","0.1881","0.2019","","","","","","1.082","","","","has coordinates","196825","2020-10-21","18:00:00",""
"1546085","7.0338","0.0001","11.9216","0.0002","24.1813","0.0017","90","","91.725","0.007","90","","2026.78","0.15","293","2","293","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C21 H25 N O4 S -","- C21 H25 N O4 S -","- C84 H100 N4 O16 S4 -","4","1","","Zheng, Nan; Zhang, Lijie; Gong, Jianxian; Yang, Zhen","Formal Total Synthesis of (±)-Lycojaponicumin C","Organic Letters","2017","","","","","10.1021/acs.orglett.7b01154","","","1.54178","CuKα","","0.0694","0.0637","","","0.1706","0.1799","","","","","","1.078","","","","has coordinates","196828","2020-10-21","18:00:00",""
"1546086","5.8858","0.0004","13.567","0.001","15.5282","0.0011","90","","90","","90","","1239.97","0.15","296","2","296","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C15 H11 Cl O -","- C15 H11 Cl O -","- C60 H44 Cl4 O4 -","4","1","","Xiang, Jia-Chen; Cheng, Yan; Wang, Zi-Xuan; Ma, Jin-Tian; Wang, Miao; Tang, Bo-Cheng; Wu, Yan-Dong; Wu, An-Xin","Oxidative Trimerization of Amino Acids: Selective Synthesis of 2,3,5-Trisubstituted Pyridines.","Organic letters","2017","19","11","2997","3000","10.1021/acs.orglett.7b01232","","","0.71073","MoKα","","0.0449","0.0348","","","0.0855","0.0923","","","","","","0.988","","","","has coordinates","197503","2020-10-21","18:00:00",""
"1546087","9.73","0.002","10.167","0.002","21.994","0.006","90","","90","","90","","2175.8","0.9","193","2","193","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C22 H24 Br N O3 S -","- C22 H24 Br N O3 S -","- C88 H96 Br4 N4 O12 S4 -","4","1","","Ueda, Hiroki; Masutomi, Koji; Shibata, Yu; Tanaka, Ken","Rhodium-Catalyzed Asymmetric [2 + 2 + 2] Cyclization of 1,6-Enynes with Aliphatic and Aromatic Alkenes.","Organic letters","2017","19","11","2913","2916","10.1021/acs.orglett.7b01149","","x-ray","0.71073","MoKα","","0.1496","0.0731","","","0.1767","0.2087","","","","","","1.018","","","","has coordinates","197505","2020-10-21","18:00:00",""
"1546088","8.332","0.002","16.762","0.004","18.465","0.005","114.14","0.003","92.762","0.003","92.985","0.003","2343.3","1","293","2","293","2","","","","","","","","7","P -1","-P 1","2","","","","- C53 H43 B Cl3 F2 N3 O8 -","- C53 H43 B Cl3 F2 N3 O8 -","- C106 H86 B2 Cl6 F4 N6 O16 -","2","1","","Sheng, Wanle; Zheng, Yu-Qing; Wu, Qinghua; Wu, Yayang; Yu, Changjiang; Jiao, Lijuan; Hao, Erhong; Wang, Jie-Yu; Pei, Jian","Synthesis, Properties, and Semiconducting Characteristics of BF2 Complexes of β,β-Bisphenanthrene-Fused Azadipyrromethenes.","Organic letters","2017","19","11","2893","2896","10.1021/acs.orglett.7b01133","","","0.71073","MoKα","","0.086","0.0665","","","0.1817","0.1999","","","","","","1.063","","","","has coordinates,has disorder","197512","2020-10-21","18:00:00",""
"1546089","12.926","0.008","11.204","0.007","19.694","0.009","90","","123","0.03","90","","2392","3","293","2","293","2","","","","","","","","7","P 1 2/c 1","-P 2yc","13","","","","- C52.5 H47 B Cl F2 N3 O8 -","- C52.5 H47 B Cl F2 N3 O8 -","- C105 H94 B2 Cl2 F4 N6 O16 -","2","0.5","","Sheng, Wanle; Zheng, Yu-Qing; Wu, Qinghua; Wu, Yayang; Yu, Changjiang; Jiao, Lijuan; Hao, Erhong; Wang, Jie-Yu; Pei, Jian","Synthesis, Properties, and Semiconducting Characteristics of BF2 Complexes of β,β-Bisphenanthrene-Fused Azadipyrromethenes.","Organic letters","2017","19","11","2893","2896","10.1021/acs.orglett.7b01133","","","0.71073","MoKα","","0.2169","0.0996","","","0.2177","0.273","","","","","","1.021","","","","has coordinates,has disorder","197512","2020-10-21","18:00:00",""
"1546090","25.0308","0.001","15.3288","0.0006","19.941","0.0008","90","","93.983","0.001","90","","7632.7","0.5","150","2","150","2","","","","","","","","6","C 1 2/m 1","-C 2y","12","","","","- C130 H56 N4 Ni S0 U -","- C130 H56 N4 Ni U0.9994 -","- C520 H224 N16 Ni4 U3.9976 -","4","0.5","","Cai, Wenting; Morales-Martínez, Roser; Zhang, Xingxing; Najera, Daniel; Romero, Elkin; Metta Magana, Alejandro Jose; Rodriguez-Fortea, Antonio; Fortier, Skye; Chen, Ning; Poblet, Josep M.; Echegoyen, Luis","Single Crystal Structures and Theoretical Calculations of Uranium Endohedral Metallofullerenes (U@C2n, 2n=74, 82) Show Cage Isomer Dependent Oxidation States for U","Chem. Sci.","2017","","","","","10.1039/C7SC01711A","","","0.71073","MoKα","","0.0977","0.0779","","","0.2194","0.229","","","","","","1.691","","","","has coordinates,has disorder","196888","2020-10-21","18:00:00",""
"1546091","25.102","0.003","14.9208","0.0019","38.636","0.005","90","","94.044","0.002","90","","14435","3","150","2","150","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C122 H56 N4 Ni U -","- C122 H56 N4 Ni U0.9994 -","- C976 H448 N32 Ni8 U7.9952 -","8","1","","Cai, Wenting; Morales-Martínez, Roser; Zhang, Xingxing; Najera, Daniel; Romero, Elkin; Metta Magana, Alejandro Jose; Rodriguez-Fortea, Antonio; Fortier, Skye; Chen, Ning; Poblet, Josep M.; Echegoyen, Luis","Single Crystal Structures and Theoretical Calculations of Uranium Endohedral Metallofullerenes (U@C2n, 2n=74, 82) Show Cage Isomer Dependent Oxidation States for U","Chem. Sci.","2017","","","","","10.1039/C7SC01711A","","","0.71073","MoKα","","0.1705","0.1247","","","0.3214","0.3355","","","","","","1.813","","","","has coordinates,has disorder","196888","2020-10-21","18:00:00",""
"1546092","17.7846","0.0005","17.2807","0.0005","26.6533","0.0007","90","","107.376","0.001","90","","7817.6","0.4","173","2","173","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C128 H53 N4 Ni S2 U -","- C128 H53 N4 Ni S2 U0.9999 -","- C512 H212 N16 Ni4 S8 U3.9996 -","4","1","","Cai, Wenting; Morales-Martínez, Roser; Zhang, Xingxing; Najera, Daniel; Romero, Elkin; Metta Magana, Alejandro Jose; Rodriguez-Fortea, Antonio; Fortier, Skye; Chen, Ning; Poblet, Josep M.; Echegoyen, Luis","Single Crystal Structures and Theoretical Calculations of Uranium Endohedral Metallofullerenes (U@C2n, 2n=74, 82) Show Cage Isomer Dependent Oxidation States for U","Chem. Sci.","2017","","","","","10.1039/C7SC01711A","","","0.71073","MoKα","","0.1324","0.0987","","","0.2627","0.2849","","","","","","1.737","","","","has coordinates,has disorder","196888","2020-10-21","18:00:00",""
"1546093","24.2286","0.0011","5.6429","0.0002","7.6125","0.0003","90","","90","","90","","1040.78","0.07","123","2","123","2","","","","","","","","3","P c a 21","P 2c -2ac","29","PC","","","- C15 H10 O2 -","- C15 H10 O2 -","- C60 H40 O8 -","4","1","","Jhun, Byung Hak; Yi, Seung Yeon; Jeong, Donghyun; Cho, Jaeheung; Park, Soo Young; You, Youngmin","Aggregation of an n‒π* Molecule Induces Fluorescence Turn-on","The Journal of Physical Chemistry C","2017","121","21","11907","","10.1021/acs.jpcc.7b02797","","","0.71073","MoKa","","0.066","0.0518","","","0.1445","0.1547","","","","","","1.173","","","","has coordinates","197472","2020-10-21","18:00:00",""
"1546094","9.8947","0.0003","8.25","0.0003","12.8004","0.0004","90","","110.44","0.001","90","","979.12","0.06","296","2","296","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C21 H21 N O3 S -","- C21 H21 N O3 S -","- C42 H42 N2 O6 S2 -","2","1","","Lin, Tao-Yan; Wu, Hai-Hong; Feng, Jian-Jun; Zhang, Junliang","Transfer of Chirality in the Rhodium-Catalyzed Chemoselective and Regioselective Allylic Alkylation of Hydroxyarenes with Vinyl Aziridines.","Organic letters","2017","19","11","2897","2900","10.1021/acs.orglett.7b01136","","","0.71073","MoKα","","0.0415","0.0347","","","0.0861","0.0906","","","","","","1.018","","","","has coordinates","197499","2020-10-21","18:00:00",""
"1546095","9.9619","0.0004","24.0179","0.001","15.5925","0.0006","90","","101.3","0.0016","90","","3658.4","0.3","180","","180","","","","101","","","","","4","P 1 21 1","P 2yb","4","","","","- C42 H49 N O4 -","- C42 H49 N O4 -","- C168 H196 N4 O16 -","4","2","","Tlustý, Martin; Slavík, Petr; Kohout, Michal; Eigner, Václav; Lhoták, Pavel","Inherently Chiral Upper-Rim-Bridged Calix[4]arenes Possessing a Seven Membered Ring.","Organic letters","2017","","","","","10.1021/acs.orglett.7b01170","","","1.54178","CuKα","","0.0384","0.0375","","0.0896","0.0886","0.0896","","","","","","0.8561","","","","has coordinates,has disorder","196908","2020-10-21","18:00:00",""
"1546096","8.3201","0.0002","7.3604","0.0002","14.5839","0.0003","90","","105.938","0.002","90","","858.78","0.04","123","2","123","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C21 H19 N O4 -","- C21 H19 N O4 -","- C42 H38 N2 O8 -","2","1","","Kumar, Mukesh; Chauhan, Pankaj; Valkonen, Arto; Rissanen, Kari; Enders, Dieter","Asymmetric Synthesis of Functionalized Tricyclic Chromanes via an Organocatalytic Triple Domino Reaction.","Organic letters","2017","19","11","3025","3028","10.1021/acs.orglett.7b01322","","","1.54184","CuKα","","0.0327","0.031","","","0.075","0.0766","","","","","","1.053","","","","has coordinates","197504","2020-10-21","18:00:00",""
"1546097","15.0424","0.0012","9.1167","0.0007","42.181","0.003","90","","96.995","0.001","90","","5741.5","0.8","200","2","200","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C14 H13 F6 N O2 -","- C14 H13 F6 N O2 -","- C224 H208 F96 N16 O32 -","16","4","","Gietter-Burch, Amber A S; Devannah, Vijayarajan; Watson, Donald A.","Trifluoromethylation of Secondary Nitroalkanes.","Organic letters","2017","19","11","2957","2960","10.1021/acs.orglett.7b01196","","","0.71073","MoKα","","0.0884","0.0592","","","0.1374","0.1533","","","","","","1.05","","","","has coordinates","197506","2020-10-21","18:00:00",""
"1546098","18.6492","0.0019","18.6492","0.0019","12.5645","0.0015","90","","90","","120","","3784.4","0.7","298","2","298","2","","","","","","","","3","P 65","P 65","170","","","","- C20 H30 O9 -","- C20 H30 O9 -","- C120 H180 O54 -","6","1","","Zhou, Lei; Tuo, Yali; Hao, Yi; Guo, Xiaoman; Tang, Wei; Xue, Yongbo; Zeng, Junfen; Zhou, Yu; Xiang, Ming; Zuo, Jianping; Yao, Guangmin; Zhang, Yonghui","Cinnamomols A and B, Immunostimulative Diterpenoids with a New Carbon Skeleton from the Leaves of Cinnamomum cassia.","Organic letters","2017","19","11","3029","3032","10.1021/acs.orglett.7b01323","","","1.54178","CuKα","","0.0312","0.0306","","","0.083","0.0837","","","","","","1.043","","","","has coordinates","197507","2020-10-21","18:00:00",""
"1546099","17.1874","0.0008","17.1874","0.0008","42.085","0.002","90","","90","","120","","10766.6","0.9","298","2","298","2","","","","","","","","3","P 32 2 1","P 32 2""","154","","","","- C20 H36 O11 -","- C20 H36 O11 -","- C360 H648 O198 -","18","3","","Zhou, Lei; Tuo, Yali; Hao, Yi; Guo, Xiaoman; Tang, Wei; Xue, Yongbo; Zeng, Junfen; Zhou, Yu; Xiang, Ming; Zuo, Jianping; Yao, Guangmin; Zhang, Yonghui","Cinnamomols A and B, Immunostimulative Diterpenoids with a New Carbon Skeleton from the Leaves of Cinnamomum cassia.","Organic letters","2017","19","11","3029","3032","10.1021/acs.orglett.7b01323","","","1.54178","CuKα","","0.0633","0.0607","","","0.1674","0.1709","","","","","","1.018","","","","has coordinates,has disorder","197507","2020-10-21","18:00:00",""
"1546100","11.3928","0.0003","15.6359","0.0005","16.3018","0.0006","90","","96.451","0.003","90","","2885.56","0.16","102.9","0.3","102.9","0.3","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","3","Zn(A-ip)(bipy)","","- C21 H16 N2 O5 Zn -","- C21 H16 N2 O5 Zn -","- C84 H64 N8 O20 Zn4 -","4","1","","Schneemann, Andreas; Rudolf, Robin; Henke, Sebastian; Takahashi, Yukiko; Banh, Hung; Hante, Inke; Schneider, Christian; Noro, Shin-ichiro; Fischer, Roland A.","Linker functionalisation triggers an alternative 3D-topology for Zn-isophthalate-4,4′-bipyridine frameworks","Dalton Transactions","2017","46","25","8198","8203","10.1039/C7DT01195D","","x-ray","1.54184","CuKα","","0.0583","0.0545","","","0.1597","0.164","","","","","","1.102","","","","has coordinates,has disorder","282777","2023-04-20","11:56:45",""
"1546101","16.496","0.0007","15.8918","0.0006","11.4039","0.0004","90","","90","","90","","2989.5","0.2","240","0.14","240","0.14","","","","","","","","5","P b a m","-P 2 2ab","55","2","Zn(P-ip)(bipy)","","- C21 H18 N2 O5 Zn -","- C21.014 H11.008 N2 O5.004 Zn -","- C84.056 H44.032 N8 O20.016 Zn4 -","4","0.5","","Schneemann, Andreas; Rudolf, Robin; Henke, Sebastian; Takahashi, Yukiko; Banh, Hung; Hante, Inke; Schneider, Christian; Noro, Shin-ichiro; Fischer, Roland A.","Linker functionalisation triggers an alternative 3D-topology for Zn-isophthalate-4,4′-bipyridine frameworks","Dalton Transactions","2017","46","25","8198","8203","10.1039/C7DT01195D","","x-ray","1.54184","CuKα","","0.0797","0.0715","","","0.2113","0.2185","","","","","","1.095","","","","has coordinates,has disorder","282777","2023-04-20","11:56:45",""
"1546102","9.9902","0.0004","11.4259","0.0004","12.1064","0.0005","109.285","0.003","108.208","0.004","97.69","0.003","1194.98","0.1","106.3","0.5","106.3","0.5","","","","","","","","5","P -1","-P 1","2","2_CID","Zn(P-ip)(bipy)_CID","","- C21 H18 N2 O5 Zn -","- C21 H18 N2 O5 Zn -","- C42 H36 N4 O10 Zn2 -","2","1","","Schneemann, Andreas; Rudolf, Robin; Henke, Sebastian; Takahashi, Yukiko; Banh, Hung; Hante, Inke; Schneider, Christian; Noro, Shin-ichiro; Fischer, Roland A.","Linker functionalisation triggers an alternative 3D-topology for Zn-isophthalate-4,4′-bipyridine frameworks","Dalton Transactions","2017","46","25","8198","8203","10.1039/C7DT01195D","","x-ray","1.54184","CuKα","","0.0332","0.0309","","","0.0846","0.0864","","","","","","1.086","","","","has coordinates","282777","2023-04-20","11:56:45",""
"1546103","10.0944","0.0003","10.3898","0.0002","10.493","0.0003","65.925","0.002","75.649","0.002","76.069","0.002","961.2","0.05","111","2","111","2","","","","","","","","5","P -1","-P 1","2","1","Zn(E-ip)(bipy)","","- C20 H16 N2 O5 Zn -","- C20 H16 N2 O5 Zn -","- C40 H32 N4 O10 Zn2 -","2","1","","Schneemann, Andreas; Rudolf, Robin; Henke, Sebastian; Takahashi, Yukiko; Banh, Hung; Hante, Inke; Schneider, Christian; Noro, Shin-ichiro; Fischer, Roland A.","Linker functionalisation triggers an alternative 3D-topology for Zn-isophthalate-4,4′-bipyridine frameworks","Dalton Transactions","2017","46","25","8198","8203","10.1039/C7DT01195D","","x-ray","1.54184","CuKα","","0.025","0.0234","","","0.0598","0.0608","","","","","","1.055","","","","has coordinates,has disorder","282777","2023-04-20","11:56:45",""
"1546104","10.8019","0.0016","11.2323","0.0015","15.296","0.002","73.963","0.006","79.565","0.005","73.194","0.004","1697.1","0.4","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","","","- C21 H51.5 La N3 O19.75 -","- C21 H51.498 La N3 O19.749 -","- C42 H102.996 La2 N6 O39.498 -","2","1","","Weekes, David M.; Cawthray, Jacqueline F.; Rieder, Meghanne; Syeda, Jaweria; Ali, Munawar; Wasan, Ellen; Kostelnik, Tom Kostelnik; Patrick, Brian O.; Panahifar, A.; Cooper, David M.L.; Al-Dissi, Ahmad; Wasan, Kishor; Orvig, Chris","La(III) biodistribution profiles from intravenous and oral dosing of two lanthanum complexes, La(dpp)3 and La(XT), and evaluation as treatments for bone resorption disorders","Metallomics","2017","","","","","10.1039/C7MT00133A","","x-ray","0.71073","MoKα","","0.0418","0.0353","","","0.0744","0.08","","","","","","1.155","","","","has coordinates,has disorder","196930","2020-10-21","18:00:00",""
"1546106","21.2016","0.0013","21.2016","0.0013","7.9468","0.0005","90","","90","","90","","3572.1","0.4","210","2","210","2","","","","","","","","4","P -4 21 c","P -4 2n","114","NB-078-023","","","- C17 H27 N O3.5 -","- C17 H27 N O3.5 -","- C136 H216 N8 O28 -","8","1","","Shymanska, Nataliia V.; Pierce, Joshua G.","Stereoselective Synthesis of Quaternary Pyrrolidine-2,3-diones and β-Amino Acids.","Organic letters","2017","19","11","2961","2964","10.1021/acs.orglett.7b01185","","","0.71073","MoKα","","0.0736","0.0582","","","0.1486","0.1583","","","","","","1.085","","","","has coordinates","197500","2020-10-21","18:00:00",""
"1546107","9.3051","0.0001","12.8967","0.0001","23.172","0.0001","90","","90","","90","","2780.76","0.04","291","2","291","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C32 H42 O5 -","- C32 H42 O5 -","- C128 H168 O20 -","4","1","","Zhang, Ya-Long; Zhou, Xu-Wei; Wang, Xiao-Bing; Wu, Lin; Yang, Ming-Hua; Luo, Jun; Yin, Yong; Luo, Jian-Guang; Kong, Ling-Yi","Xylopiana A, a Dimeric Guaiane with a Case-Shaped Core from Xylopia vielana: Structural Elucidation and Biomimetic Conversion.","Organic letters","2017","19","11","3013","3016","10.1021/acs.orglett.7b01276","","","1.54184","CuKα","","0.0334","0.0329","","","0.0952","0.0957","","","","","","1.048","","","","has coordinates","197508","2020-10-21","18:00:00",""
"1546108","10.294","0.002","10.7033","0.0019","12.376","0.002","69.312","0.006","79.586","0.008","66.46","0.006","1168.2","0.4","296","2","296","2","","","","","","","","4","P -1","-P 1","2","","","","- C26 H28 N2 O3 -","- C26 H28 N2 O3 -","- C52 H56 N4 O6 -","2","1","","Liu, Rai-Shung; Liu, Jinxian; Skaria, Manisha; Sharma, Pankaj; Chiang, Yun-Wei","Ground-State Dioxygen Undergoes Metal-Free [3+2]-Annulations with Allenes and Nitrosoarenes Under Ambient Conditions","Chem. Sci.","2017","","","","","10.1039/C7SC01770G","","","0.71073","MoKα","","0.126","0.0641","","","0.1185","0.1408","","","","","","1.054","","","","has coordinates","196954","2020-10-21","18:00:00",""
"1546109","13.9065","0.0011","13.9065","0.0011","6.0548","0.0005","90","","90","","120","","1014.07","0.14","100","2","100","2","","","","","","","","4","P 32","P 32","145","","","","- C16 H15 N O3 -","- C16 H15 N O3 -","- C48 H45 N3 O9 -","3","1","","Liu, Rai-Shung; Liu, Jinxian; Skaria, Manisha; Sharma, Pankaj; Chiang, Yun-Wei","Ground-State Dioxygen Undergoes Metal-Free [3+2]-Annulations with Allenes and Nitrosoarenes Under Ambient Conditions","Chem. Sci.","2017","","","","","10.1039/C7SC01770G","","","0.71073","MoKα","","0.0351","0.0295","","","0.0778","0.102","","","","","","1.205","","","","has coordinates","196954","2020-10-21","18:00:00",""
"1546110","16.42","0.002","5.9044","0.0008","25.212","0.003","90","","90.487","0.004","90","","2444.2","0.5","200","2","200","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C28 H24 Cl2 N2 O2 -","- C28 H24 Cl2 N2 O2 -","- C112 H96 Cl8 N8 O8 -","4","2","","Liu, Rai-Shung; Liu, Jinxian; Skaria, Manisha; Sharma, Pankaj; Chiang, Yun-Wei","Ground-State Dioxygen Undergoes Metal-Free [3+2]-Annulations with Allenes and Nitrosoarenes Under Ambient Conditions","Chem. Sci.","2017","","","","","10.1039/C7SC01770G","","","0.71073","MoKα","","0.2885","0.2542","","","0.5938","0.6117","","","","","","2.629","","","","has coordinates","196954","2020-10-21","18:00:00",""
"1546111","8.48","0.007","5.698","0.004","15.656","0.013","90","","93.2","0.05","90","","755.3","1","200","2","200","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C17 H17 N O4 -","- C17 H17 N O4 -","- C34 H34 N2 O8 -","2","1","","Liu, Rai-Shung; Liu, Jinxian; Skaria, Manisha; Sharma, Pankaj; Chiang, Yun-Wei","Ground-State Dioxygen Undergoes Metal-Free [3+2]-Annulations with Allenes and Nitrosoarenes Under Ambient Conditions","Chem. Sci.","2017","","","","","10.1039/C7SC01770G","","","0.71073","MoKα","","0.2549","0.1803","","","0.4062","0.4474","","","","","","1.213","","","","has coordinates","196954","2020-10-21","18:00:00",""
"1546112","33.1101","0.0012","8.5492","0.0003","16.653","0.0006","90","","99.906","0.003","90","","4643.6","0.3","273","2","273","2","","","","","","","","4","C 1 c 1","C -2yc","9","","","","- C27 H24 N4 O2 -","- C27 H15.5 N4 O2 -","- C216 H124 N32 O16 -","8","2","","Basu Roy, Sohini; Prodhan, Chandraday; Chaudhuri, Keya; Rajak, Kajal Krishna","A benzimidazole-based chemodosimeter for the fluorometric detection of Zn and Cu via 1,5 proton shifts and C‒N bond cleavage","Photochem. Photobiol. Sci.","2017","","","","","10.1039/C7PP00059F","","","0.71073","MoKα","","0.1065","0.0895","","","0.2428","0.2664","","","","","","1.065","","","","has coordinates","214153","2020-10-21","18:00:00",""
"1546113","22.206","0.003","22.206","0.003","8.692","0.002","90","","90","","90","","4286.1","1.3","100","2","100","2","","","","","","","","5","P -4 21 c","P -4 2n","114","","","","- C24 H18 B F10 N -","- C24 H18 B F10 N -","- C192 H144 B8 F80 N8 -","8","1","","Krause, Lennard; Niepötter, Benedikt; Schürmann, Christian J.; Stalke, Dietmar; Herbst-Irmer, Regine","Validation of experimental charge-density refinement strategies: when do we overfit?","IUCrJ","2017","4","4","","","10.1107/S2052252517005103","","","0.71073","MoKα","","0.0371","0.0298","","","0.0792","0.0835","","","","","","1.124","","","","has coordinates","196973","2020-10-21","18:00:00",""
"1546114","22.206","0.003","22.206","0.003","8.692","0.002","90","","90","","90","","4286.1","1.3","100","2","100","2","","","","","","","","5","P -4 21 c","P -4 2n","114","","","","- C24 H18 B F10 N -","- C24 H18 B F10 N -","- C192 H144 B8 F80 N8 -","8","1","","Krause, Lennard; Niepötter, Benedikt; Schürmann, Christian J.; Stalke, Dietmar; Herbst-Irmer, Regine","Validation of experimental charge-density refinement strategies: when do we overfit?","IUCrJ","2017","4","4","","","10.1107/S2052252517005103","","","0.71073","MoKα","","0.0186","0.0183","","","","0.0157","0.0117","","","","","1.102","","","","has coordinates","196973","2020-10-21","18:00:00",""
"1546115","10.9323","0.0007","14.5698","0.001","21.091","0.0014","90","","90","","90","","3359.4","0.4","99","2","99","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C20 H23 P S -","- C20 H23 P S -","- C160 H184 P8 S8 -","8","1","","Krause, Lennard; Niepötter, Benedikt; Schürmann, Christian J.; Stalke, Dietmar; Herbst-Irmer, Regine","Validation of experimental charge-density refinement strategies: when do we overfit?","IUCrJ","2017","4","4","","","10.1107/S2052252517005103","","","0.71073","MoKα","","0.0326","0.0238","","","0.0839","0.0904","","","","","","1.106","","","","has coordinates","196973","2020-10-21","18:00:00",""
"1546116","10.932","0.002","14.57","0.002","21.091","0.003","90","","90","","90","","3359.4","0.9","99","2","99","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C20 H23 P S -","- C20 H23 P S -","- C160 H184 P8 S8 -","8","1","","Krause, Lennard; Niepötter, Benedikt; Schürmann, Christian J.; Stalke, Dietmar; Herbst-Irmer, Regine","Validation of experimental charge-density refinement strategies: when do we overfit?","IUCrJ","2017","4","4","","","10.1107/S2052252517005103","","","0.71073","MoKα","","0.0186","0.0183","","","","0.0157","0.0117","","","","","1.204","","","","has coordinates","196973","2020-10-21","18:00:00",""
"1546117","12.5744","0.0005","15.5222","0.0007","19.5052","0.0008","88.259","0.001","81.988","0.001","89.388","0.002","3768.1","0.3","100","2","100","2","","","","","","","","6","P -1","-P 1","2","","","","- C32 H53 B10 O2 P3 Ru -","- C32 H53 B10 O2 P3 Ru -","- C128 H212 B40 O8 P12 Ru4 -","4","2","","Eleazer, Bennett J.; Smith, Mark D.; Popov, Alexey A.; Peryshkov, Dmitry V.","Rapid Reversible Borane to Boryl Hydride Exchange by Metal Shuttling on the Carborane Cluster Surface","Chem. Sci.","2017","","","","","10.1039/C7SC01846K","","x-ray","0.71073","MoKα","","0.0663","0.0372","","","0.0707","0.0782","","","","","","1.045","","","","has coordinates","196984","2020-10-21","18:00:00",""
"1546118","12.4465","0.0004","23.0308","0.0008","13.2665","0.0004","90","","96.239","0.001","90","","3780.4","0.2","100","2","100","2","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C32 H52 B10 Cl O2 P3 Ru -","- C32 H52 B10 Cl O2 P3 Ru -","- C128 H208 B40 Cl4 O8 P12 Ru4 -","4","1","","Eleazer, Bennett J.; Smith, Mark D.; Popov, Alexey A.; Peryshkov, Dmitry V.","Rapid Reversible Borane to Boryl Hydride Exchange by Metal Shuttling on the Carborane Cluster Surface","Chem. Sci.","2017","","","","","10.1039/C7SC01846K","","x-ray","0.71073","MoKα","","0.0373","0.0248","","","0.0568","0.0603","","","","","","1.033","","","","has coordinates","196984","2020-10-21","18:00:00",""
"1546119","11.1553","0.0019","19.49","0.004","30.332","0.006","90","","90","","90","","6595","2","100","","100","","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C67.59 H76.99 N12 -","- C67.582 H76.972 N12 -","- C270.328 H307.888 N48 -","4","1","","Hasell, T.; Little, M. A.; Chong, S. Y.; Schmidtmann, M.; Briggs, M. E.; Santolini, V.; Jelfs, K. E.; Cooper, A. I.","Chirality as a tool for function in porous organic cages.","Nanoscale","2017","9","20","6783","6790","10.1039/c7nr01301a","","x-ray","0.6889","","","0.0948","0.0786","","","0.212","0.2297","","","","","","1.085","","","","has coordinates,has disorder","196993","2020-10-21","18:00:00",""
"1546120","17.5575","0.0007","17.5575","0.0007","28.6921","0.0012","90","","90","","120","","7659.8","0.5","100","","100","","","","","","","","","5","P 3 2 1","P 3 2""","150","","","","- C142.09 H188.18 Cl5.5 N24 O9.92 -","- C140.408 H166.74 Cl5.4997 N24 O9.9239 -","- C280.816 H333.48 Cl10.9994 N48 O19.8478 -","2","0.333333","","Hasell, T.; Little, M. A.; Chong, S. Y.; Schmidtmann, M.; Briggs, M. E.; Santolini, V.; Jelfs, K. E.; Cooper, A. I.","Chirality as a tool for function in porous organic cages.","Nanoscale","2017","9","20","6783","6790","10.1039/c7nr01301a","","x-ray","0.71073","MoKα","","0.1435","0.1285","","","0.3302","0.3421","","","","","","2.372","","","","has coordinates,has disorder","196993","2020-10-21","18:00:00",""
"1546121","24.318","0.002","24.318","0.002","24.318","0.002","90","","90","","90","","14381","2","100","","100","","","","","","","","","4","P 21 3","P 2ac 2ab 3","198","","","","- C130 H160.5 N24 O15.25 -","- C130 H126 N24 O15.2498 -","- C520.001 H504 N96 O60.9992 -","4","0.333333","","Hasell, T.; Little, M. A.; Chong, S. Y.; Schmidtmann, M.; Briggs, M. E.; Santolini, V.; Jelfs, K. E.; Cooper, A. I.","Chirality as a tool for function in porous organic cages.","Nanoscale","2017","9","20","6783","6790","10.1039/c7nr01301a","","x-ray","0.6889","","","0.086","0.0722","","","0.2033","0.2134","","","","","","1.043","","","","has coordinates,has disorder","196993","2020-10-21","18:00:00",""
"1546122","17.5938","0.0007","17.5938","0.0007","32.2344","0.0013","90","","90","","120","","8641.1","0.6","100","","100","","","","","","","","","5","P 63","P 6c","173","","","","- C151 H214 Cl2 N24 O10 -","- C151 H192 Cl2 N24 O9.9996 -","- C302 H384 Cl4 N48 O19.9992 -","2","0.333333","","Hasell, T.; Little, M. A.; Chong, S. Y.; Schmidtmann, M.; Briggs, M. E.; Santolini, V.; Jelfs, K. E.; Cooper, A. I.","Chirality as a tool for function in porous organic cages.","Nanoscale","2017","9","20","6783","6790","10.1039/c7nr01301a","","x-ray","0.71073","MoKα","","0.1121","0.0916","","","0.246","0.2709","","","","","","1.064","","","","has coordinates,has disorder","196993","2020-10-21","18:00:00",""
"1546123","19.296","0.0008","8.0943","0.0004","6.9478","0.0003","90","","90","","90","","1085.16","0.08","104.2","","104.2","","","","","","","","","3","P 21 21 2","P 2 2ab","18","","","","- C10 H18 O4 -","- C10 H18 O4 -","- C40 H72 O16 -","4","1","","Wang, Ling-Yan; Chen, Ming-Hua; Wu, Jiang; Sun, Hua; Liu, Wei; Qu, Yu-Hong; Li, Yan-Cheng; Wu, Yu-Zhuo; Li, Rui; Zhang, Dan; Wang, Su-Juan; Lin, Sheng","Bioactive Glycosides from the Twigs of Litsea cubeba.","Journal of natural products","2017","80","6","1808","1818","10.1021/acs.jnatprod.6b01189","","","1.5418","CuKα","","0.0371","0.0349","","","0.0907","0.0931","","","","","","1.066","","","","has coordinates","198420","2020-10-21","18:00:00",""
"1546124","15.862","0.002","15.219","0.002","18.723","0.003","90","","90","","90","","4519.8","1.1","293","2","293","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C24 H23 N3 O3 S -","- C24 H23 N3 O3 S -","- C192 H184 N24 O24 S8 -","8","1","","Xu, Wei; Wang, Gaonan; Sun, Ning; Liu, Yuanhong","Gold-Catalyzed Formal [3 + 2] Cycloaddition of Ynamides with 4,5-Dihydro-1,2,4-oxadiazoles: Synthesis of Functionalized 4-Aminoimidazoles.","Organic letters","2017","19","12","3307","3310","10.1021/acs.orglett.7b01469","","","0.71073","MoKα","","0.0756","0.052","","","0.1406","0.1577","","","","","","1.043","","","","has coordinates","198425","2020-10-21","18:00:00",""
"1546125","24.0022","0.0018","8.6136","0.0006","25.556","0.003","90","","116.047","0.003","90","","4747","0.7","110","2","110","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C21 H22 Cl5 Mg N3 O -","- C21 H22 Cl5 Mg N3 O -","- C168 H176 Cl40 Mg8 N24 O8 -","8","1","","Rosen, Tomer; Goldberg, I.; Navarra, Wanda; Venditto, Vincenzo; Kol, Moshe","Divergent [{ONNN}Mg-Cl] complexes in the highly active and living lactide polymerization","Chem. Sci.","2017","","","","","10.1039/C7SC01514C","","","0.71073","MoKα","","0.0516","0.0391","","","0.0912","0.0972","","","","","","1.016","","","","has coordinates","197008","2020-10-21","18:00:00",""
"1546126","27.298","0.0018","14.9001","0.0012","16.8775","0.001","90","","124.63","0.002","90","","5648.6","0.7","110","2","110","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C47 H54 Cl12 Mg2 N6 O2 -","- C47 H54 Cl12 Mg2 N6 O2 -","- C188 H216 Cl48 Mg8 N24 O8 -","4","0.5","","Rosen, Tomer; Goldberg, I.; Navarra, Wanda; Venditto, Vincenzo; Kol, Moshe","Divergent [{ONNN}Mg-Cl] complexes in the highly active and living lactide polymerization","Chem. Sci.","2017","","","","","10.1039/C7SC01514C","","","0.71073","MoKα","","0.0702","0.0567","","","0.1488","0.1604","","","","","","1.004","","","","has coordinates","197008","2020-10-21","18:00:00",""
"1546128","34.9084","0.0006","14.9228","0.0002","29.6669","0.0005","90","","101.028","0.002","90","","15169","0.4","93","2","93","2","","","","","","","","6","C 1 2 1","C 2y","5","","","","- C117.06 H104.25 I12 N25.11 O10.05 Zn6 -","- C117.06 H104.25 I12 N25.11 O10.05 Zn6 -","- C468.24 H417 I48 N100.44 O40.2 Zn24 -","4","1","","Sairenji, Shiho; Kikuchi, Takashi; Abozeid, Mohamed Ahmed; Takizawa, Shinobu; Sasai, Hiroaki; Ando, Yuichiro; Ohmatsu, Kohsuke; Ooi, Takashi; Fujita, Makoto","Determination of the absolute configuration of compounds bearing chiral quaternary carbon centers using the crystalline sponge method","Chem. Sci.","2017","","","","","10.1039/C7SC01524K","","","0.71075","MoKα","","0.0943","0.0604","","","0.1693","0.192","","","","","","1.012","","","","has coordinates,has disorder","197055","2020-10-21","18:00:00",""
"1546129","36.0217","0.0006","14.6919","0.0002","30.6728","0.0007","90","","101.672","0.002","90","","15897.2","0.5","100","2","100","2","","","","","","","","6","C 1 2 1","C 2y","5","","","","- C132.77 H138.74 I12 N24 O9.74 Zn6 -","- C132.786 H138.772 I12 N24 O9.74 Zn6 -","- C531.144 H555.088 I48 N96 O38.96 Zn24 -","4","1","","Sairenji, Shiho; Kikuchi, Takashi; Abozeid, Mohamed Ahmed; Takizawa, Shinobu; Sasai, Hiroaki; Ando, Yuichiro; Ohmatsu, Kohsuke; Ooi, Takashi; Fujita, Makoto","Determination of the absolute configuration of compounds bearing chiral quaternary carbon centers using the crystalline sponge method","Chem. Sci.","2017","","","","","10.1039/C7SC01524K","","","1.54187","CuKα","","0.0749","0.0709","","","0.1984","0.205","","","","","","1.027","","","","has coordinates,has disorder","197055","2020-10-21","18:00:00",""
"1546130","33.9973","0.001","14.9225","0.0003","31.1158","0.0008","90","","101.047","0.003","90","","15493.3","0.7","100","0.1","100","0.1","","","","","","","","8","C 1 2 1","C 2y","5","","","","- C100.85 H95.62 Cl11.35 I12.03 N24.48 O2.88 S0.48 Zn6 -","- C100.844 H95.629 Cl11.348 I12.0308 N24.479 O2.874 S0.479 Zn5.999 -","- C403.376 H382.516 Cl45.392 I48.1232 N97.916 O11.496 S1.916 Zn23.996 -","4","1","","Sairenji, Shiho; Kikuchi, Takashi; Abozeid, Mohamed Ahmed; Takizawa, Shinobu; Sasai, Hiroaki; Ando, Yuichiro; Ohmatsu, Kohsuke; Ooi, Takashi; Fujita, Makoto","Determination of the absolute configuration of compounds bearing chiral quaternary carbon centers using the crystalline sponge method","Chem. Sci.","2017","","","","","10.1039/C7SC01524K","","","1.54184","CuKα","","0.1099","0.0818","","","0.2226","0.256","","","","","","1.037","","","","has coordinates,has disorder","197055","2020-10-21","18:00:00",""
"1546131","34.869","0.0006","14.9135","0.0001","31.5649","0.0005","90","","102.275","0.002","90","","16039.1","0.4","100","2","100","2","","","","","","","","5","C 1 2 1","C 2y","5","","","","- C122.98 H117.96 I12 N28 Zn6 -","- C122.98 H117.96 I12 N28 Zn6 -","- C491.92 H471.84 I48 N112 Zn24 -","4","1","","Sairenji, Shiho; Kikuchi, Takashi; Abozeid, Mohamed Ahmed; Takizawa, Shinobu; Sasai, Hiroaki; Ando, Yuichiro; Ohmatsu, Kohsuke; Ooi, Takashi; Fujita, Makoto","Determination of the absolute configuration of compounds bearing chiral quaternary carbon centers using the crystalline sponge method","Chem. Sci.","2017","","","","","10.1039/C7SC01524K","","","1.54187","CuKα","","0.0768","0.0689","","","0.1946","0.2054","","","","","","1.026","","","","has coordinates,has disorder","197055","2020-10-21","18:00:00",""
"1546132","36.1897","0.0008","14.6874","0.0002","34.7427","0.0008","90","","109.742","0.002","90","","17381.5","0.6","100","2","100","2","","","","","","","","5","C 1 2 1","C 2y","5","","","","- C136.11 H131.89 I12 N27.41 Zn6 -","- C136.11 H131.89 I12 N27.41 Zn6 -","- C544.44 H527.56 I48 N109.64 Zn24 -","4","1","","Sairenji, Shiho; Kikuchi, Takashi; Abozeid, Mohamed Ahmed; Takizawa, Shinobu; Sasai, Hiroaki; Ando, Yuichiro; Ohmatsu, Kohsuke; Ooi, Takashi; Fujita, Makoto","Determination of the absolute configuration of compounds bearing chiral quaternary carbon centers using the crystalline sponge method","Chem. Sci.","2017","","","","","10.1039/C7SC01524K","","","1.54187","CuKα","","0.0865","0.0742","","","0.2049","0.2219","","","","","","1.047","","","","has coordinates,has disorder","197055","2020-10-21","18:00:00",""
"1546133","12.0727","0.0015","12.564","0.0016","26.304","0.003","90","","90","","90","","3989.8","0.8","296","2","296","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C18 H22 B10 N2 -","- C18 H22 B10 N2 -","- C144 H176 B80 N16 -","8","1","","Yan, Hong; Li, Xiang; Yin, Yongheng; Lu, Changsheng; Tong, Xiao; Zhao, Qiang","Using highly emissive and environmentally sensitive o-carborane-functionalized metallophosphors to monitor mitochondrial polarity","Chem. Sci.","2017","","","","","10.1039/C7SC00160F","","","0.71073","MoKα","","0.0627","0.0513","","","0.1373","0.1484","","","","","","1.041","","","","has coordinates","197056","2020-10-21","18:00:00",""
"1546134","41.094","0.003","11.9824","0.0008","19.1819","0.0012","90","","108.189","0.001","90","","8973.3","1.1","123","2","123","2","","","","","","","","8","C 1 2/c 1","-C 2yc","15","","","","- C38 H38 B10 Cl2 F10 Ir N4 P -","- C38 H38 B10 Cl2 F10 Ir N4 P -","- C304 H304 B80 Cl16 F80 Ir8 N32 P8 -","8","1","","Yan, Hong; Li, Xiang; Yin, Yongheng; Lu, Changsheng; Tong, Xiao; Zhao, Qiang","Using highly emissive and environmentally sensitive o-carborane-functionalized metallophosphors to monitor mitochondrial polarity","Chem. Sci.","2017","","","","","10.1039/C7SC00160F","","","0.71073","MoKα","","0.0772","0.0575","","","0.1471","0.1622","","","","","","1.077","","","","has coordinates,has disorder","197056","2020-10-21","18:00:00",""
"1546135","30.853","0.015","6.836","0.003","12.622","0.006","90","","106.229","0.009","90","","2556","2","296","2","296","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C14 H28 B20 N2 -","- C14 H28 B20 N2 -","- C56 H112 B80 N8 -","4","0.5","","Yan, Hong; Li, Xiang; Yin, Yongheng; Lu, Changsheng; Tong, Xiao; Zhao, Qiang","Using highly emissive and environmentally sensitive o-carborane-functionalized metallophosphors to monitor mitochondrial polarity","Chem. Sci.","2017","","","","","10.1039/C7SC00160F","","","0.71073","MoKα","","0.1757","0.1072","","","0.2855","0.3291","","","","","","1.033","","","","has coordinates","197056","2020-10-21","18:00:00",""
"1546136","10.4515","0.0004","13.4143","0.0006","18.7342","0.0008","96.628","0.002","97.799","0.001","105.863","0.001","2470.87","0.18","173","2","173","2","","","","","","","","8","P -1","-P 1","2","","","","- C40 H34 B10 Cl0 F10 Ir N4 P -","- C40 H34 B10 F10 Ir N4 P -","- C80 H68 B20 F20 Ir2 N8 P2 -","2","1","","Yan, Hong; Li, Xiang; Yin, Yongheng; Lu, Changsheng; Tong, Xiao; Zhao, Qiang","Using highly emissive and environmentally sensitive o-carborane-functionalized metallophosphors to monitor mitochondrial polarity","Chem. Sci.","2017","","","","","10.1039/C7SC00160F","","","0.71073","MoKα","","0.04","0.0299","","","0.0651","0.0677","","","","","","1.026","","","","has coordinates","197056","2020-10-21","18:00:00",""
"1546137","10.3413","0.0005","19.9619","0.0009","23.794","0.0011","90","","94.892","0.001","90","","4894","0.4","173","2","173","2","","","","","","","","8","P 1 21/n 1","-P 2yn","14","","","","- C40 H42 B10 Cl4 F10 Ir N4 P -","- C40.001 H42.002 B10 Cl4.002 F10 Ir N4 P -","- C160.004 H168.008 B40 Cl16.008 F40 Ir4 N16 P4 -","4","1","","Yan, Hong; Li, Xiang; Yin, Yongheng; Lu, Changsheng; Tong, Xiao; Zhao, Qiang","Using highly emissive and environmentally sensitive o-carborane-functionalized metallophosphors to monitor mitochondrial polarity","Chem. Sci.","2017","","","","","10.1039/C7SC00160F","","","0.71073","MoKα","","0.0788","0.0419","","","0.0776","0.0877","","","","","","1.02","","","","has coordinates,has disorder","197056","2020-10-21","18:00:00",""
"1546138","9.6791","0.0014","12.7772","0.0018","28.988","0.004","90","","90","","90","","3585","0.9","123","2","123","2","","","","","","","","8","P 21 21 21","P 2ac 2ab","19","","","","- C35 H27 Cl2 F10 Ir N4 O0.5 P -","- C35 H27 Cl2 F10 Ir N4 O0.5 P -","- C140 H108 Cl8 F40 Ir4 N16 O2 P4 -","4","1","","Yan, Hong; Li, Xiang; Yin, Yongheng; Lu, Changsheng; Tong, Xiao; Zhao, Qiang","Using highly emissive and environmentally sensitive o-carborane-functionalized metallophosphors to monitor mitochondrial polarity","Chem. Sci.","2017","","","","","10.1039/C7SC00160F","","","0.71073","MoKα","","0.025","0.024","","","0.0662","0.0706","","","","","","1.033","","","","has coordinates,has disorder","197056","2020-10-21","18:00:00",""
"1546139","19.439","0.004","11.727","0.003","19.346","0.004","90","","100.293","0.004","90","","4339.2","1.7","296","2","296","2","","","","","","","","8","P 1 21/c 1","-P 2ybc","14","","","","- C34 H29 B10 F10 Ir N4 O0 P -","- C34 H29 B10 F10 Ir N4 P -","- C136 H116 B40 F40 Ir4 N16 P4 -","4","1","","Yan, Hong; Li, Xiang; Yin, Yongheng; Lu, Changsheng; Tong, Xiao; Zhao, Qiang","Using highly emissive and environmentally sensitive o-carborane-functionalized metallophosphors to monitor mitochondrial polarity","Chem. Sci.","2017","","","","","10.1039/C7SC00160F","","","0.71073","MoKα","","0.0432","0.0323","","","0.0893","0.0935","","","","","","1.054","","","","has coordinates","197056","2020-10-21","18:00:00",""
"1546140","17.3958","0.0014","12.1322","0.001","24.263","0.002","90","","106.755","0.001","90","","4903.3","0.7","123","2","123","2","","","","","","","","8","P 1 2/c 1","-P 2yc","13","","","","- C36 H34 B10 Cl2 F10 Ir N4 P -","- C36 H34 B10 Cl2 F10 Ir N4 P -","- C144 H136 B40 Cl8 F40 Ir4 N16 P4 -","4","1","","Yan, Hong; Li, Xiang; Yin, Yongheng; Lu, Changsheng; Tong, Xiao; Zhao, Qiang","Using highly emissive and environmentally sensitive o-carborane-functionalized metallophosphors to monitor mitochondrial polarity","Chem. Sci.","2017","","","","","10.1039/C7SC00160F","","","0.71073","MoKα","","0.0437","0.0348","","","0.0957","0.0999","","","","","","1.057","","","","has coordinates,has disorder","197056","2020-10-21","18:00:00",""
"1546141","19.3966","0.0013","11.8557","0.0008","19.0311","0.0013","90","","99.693","0.001","90","","4313.9","0.5","296","2","296","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C35 H32 B10 F10 Ir N4 P -","- C35 H32 B10 F10 Ir N4 P -","- C140 H128 B40 F40 Ir4 N16 P4 -","4","1","","Yan, Hong; Li, Xiang; Yin, Yongheng; Lu, Changsheng; Tong, Xiao; Zhao, Qiang","Using highly emissive and environmentally sensitive o-carborane-functionalized metallophosphors to monitor mitochondrial polarity","Chem. Sci.","2017","","","","","10.1039/C7SC00160F","","","0.71073","MoKα","","0.0332","0.0312","","","0.0821","0.084","","","","","","1.091","","","","has coordinates","197056","2020-10-21","18:00:00",""
"1546142","9.8604","0.0016","12.364","0.002","15.752","0.003","90","","90","","90","","1920.4","0.6","","","273.15","","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C20 H30 N4 O5 -","- C20 H30 N4 O5 -","- C80 H120 N16 O20 -","4","1","","Zheng, Yongbiao; Zhang, Jiyan; Wei, Liufeng; Shi, Mianmian; Wang, Jifeng; Huang, Jianzhong","Gunnilactams A-C, Macrocyclic Tetralactams from the Mycelial Culture of the Entomogenous Fungus Paecilomyces gunnii.","Journal of natural products","2017","80","6","1935","1938","10.1021/acs.jnatprod.7b00060","","","0.71073","MoKα","","0.0772","0.0753","","","0.2019","0.2041","","","","","","1.0153","","","","has coordinates","214153","2020-10-21","18:00:00",""
"1546143","9.4557","0.0013","12.8247","0.0017","15.429","0.002","90","","90","","90","","1871","0.4","","","273.15","","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C20 H24 N4 O5 -","- C20 H24 N4 O5 -","- C80 H96 N16 O20 -","4","1","","Zheng, Yongbiao; Zhang, Jiyan; Wei, Liufeng; Shi, Mianmian; Wang, Jifeng; Huang, Jianzhong","Gunnilactams A-C, Macrocyclic Tetralactams from the Mycelial Culture of the Entomogenous Fungus Paecilomyces gunnii.","Journal of natural products","2017","80","6","1935","1938","10.1021/acs.jnatprod.7b00060","","","0.71073","MoKα","","0.0514","0.0511","","","0.1663","0.1667","","","","","","1.5369","","","","has coordinates","214153","2020-10-21","18:00:00",""
"1546144","8.794","0.007","10.086","0.008","12.604","0.009","76.44","0.03","78.13","0.03","79.99","0.03","1054.2","1.4","93","","93","","","","","","","","","6","P -1","-P 1","2","","","","- C20 H20 Br2 Mn N3 O5 -","- C20 H20 Br2 Mn N3 O5 -","- C40 H40 Br4 Mn2 N6 O10 -","2","1","","Kachi-Terajima, Chihiro; Ishii, Rikako; Tojo, Yoshiaki; Fukuda, Masato; Kitagawa, Yasutaka; Asaoka, Mizuki; Miyasaka, Hitoshi","Ferromagnetic Exchange Coupling in a Family of MnIII Salen-Type Schiff-Base Out-of-Plane Dimers","The Journal of Physical Chemistry C","2017","","","","","10.1021/acs.jpcc.7b03336","","","0.7107","MoKα","","","0.067","","","","0.1945","","","","","","1.059","","","","has coordinates","197088","2020-10-21","18:00:00",""
"1546145","8.7051","0.0007","15.844","0.0007","14.3082","0.0014","90","","111.219","0.004","90","","1839.6","0.3","123","","123","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C20 H22 Mn N3 O5 -","- C20 H22 Mn N3 O5 -","- C80 H88 Mn4 N12 O20 -","4","1","","Kachi-Terajima, Chihiro; Ishii, Rikako; Tojo, Yoshiaki; Fukuda, Masato; Kitagawa, Yasutaka; Asaoka, Mizuki; Miyasaka, Hitoshi","Ferromagnetic Exchange Coupling in a Family of MnIII Salen-Type Schiff-Base Out-of-Plane Dimers","The Journal of Physical Chemistry C","2017","","","","","10.1021/acs.jpcc.7b03336","","","0.7107","MoKα","","","0.0272","","","","0.0723","","","","","","1.039","","","","has coordinates","197089","2020-10-21","18:00:00",""
"1546146","7.8995","0.0004","19.6273","0.0011","14.075","0.0008","90","","103.223","0.001","90","","2124.4","0.2","90","2","90","2","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C21 H20 Cl2 Mn N3 O2 S -","- C21 H20 Cl2 Mn N3 O2 S -","- C84 H80 Cl8 Mn4 N12 O8 S4 -","4","1","","Kachi-Terajima, Chihiro; Ishii, Rikako; Tojo, Yoshiaki; Fukuda, Masato; Kitagawa, Yasutaka; Asaoka, Mizuki; Miyasaka, Hitoshi","Ferromagnetic Exchange Coupling in a Family of MnIII Salen-Type Schiff-Base Out-of-Plane Dimers","The Journal of Physical Chemistry C","2017","","","","","10.1021/acs.jpcc.7b03336","","","0.71073","MoKα","","0.0734","0.041","","","0.0746","0.0842","","","","","","0.988","","","","has coordinates","197090","2020-10-21","18:00:00",""
"1546147","7.3227","0.0013","16.417","0.003","20.421","0.004","90","","107.009","0.0018","90","","2347.6","0.8","103","","103","","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C22 H28 Cl Mn N2 O9 -","- C22 H28 Cl Mn N2 O9 -","- C88 H112 Cl4 Mn4 N8 O36 -","4","1","","Kachi-Terajima, Chihiro; Ishii, Rikako; Tojo, Yoshiaki; Fukuda, Masato; Kitagawa, Yasutaka; Asaoka, Mizuki; Miyasaka, Hitoshi","Ferromagnetic Exchange Coupling in a Family of MnIII Salen-Type Schiff-Base Out-of-Plane Dimers","The Journal of Physical Chemistry C","2017","","","","","10.1021/acs.jpcc.7b03336","","","0.7107","MoKα","","","0.044","","","","0.1242","","","","","","1.047","","","","has coordinates","197091","2020-10-21","18:00:00",""
"1546148","14.2637","0.0005","17.4799","0.0006","17.7014","0.0006","90","","90","","90","","4413.5","0.3","100","","100","","","","","","","","","6","P b c a","-P 2ac 2ab","61","","","","- C22 H26 Mn N2 O6 Re -","- C22 H26 Mn N2 O6 Re -","- C176 H208 Mn8 N16 O48 Re8 -","8","1","","Kachi-Terajima, Chihiro; Ishii, Rikako; Tojo, Yoshiaki; Fukuda, Masato; Kitagawa, Yasutaka; Asaoka, Mizuki; Miyasaka, Hitoshi","Ferromagnetic Exchange Coupling in a Family of MnIII Salen-Type Schiff-Base Out-of-Plane Dimers","The Journal of Physical Chemistry C","2017","","","","","10.1021/acs.jpcc.7b03336","","","0.71073","MoKα","","0.0227","0.0196","","","0.0468","0.0477","","","","","","1.161","","","","has coordinates","197092","2020-10-21","18:00:00",""
"1546149","8.428","0.006","14.1","0.009","19.038","0.013","90","","97.917","0.008","90","","2241","3","103","","103","","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C21 H20 Br2 Mn N3 O2 S -","- C21 H20 Br2 Mn N3 O2 S -","- C84 H80 Br8 Mn4 N12 O8 S4 -","4","1","","Kachi-Terajima, Chihiro; Ishii, Rikako; Tojo, Yoshiaki; Fukuda, Masato; Kitagawa, Yasutaka; Asaoka, Mizuki; Miyasaka, Hitoshi","Ferromagnetic Exchange Coupling in a Family of MnIII Salen-Type Schiff-Base Out-of-Plane Dimers","The Journal of Physical Chemistry C","2017","","","","","10.1021/acs.jpcc.7b03336","","","0.7107","MoKα","","","0.0505","","","","0.1075","","","","","","1.099","","","","has coordinates","197093","2020-10-21","18:00:00",""
"1546150","7.3187","0.0004","20.537","0.001","16.1889","0.0008","90","","95.132","0.001","90","","2423.5","0.2","90","","90","","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C22 H28 F6 Mn N2 O5 P -","- C22 H28 F6 Mn N2 O5 P -","- C88 H112 F24 Mn4 N8 O20 P4 -","4","1","","Kachi-Terajima, Chihiro; Ishii, Rikako; Tojo, Yoshiaki; Fukuda, Masato; Kitagawa, Yasutaka; Asaoka, Mizuki; Miyasaka, Hitoshi","Ferromagnetic Exchange Coupling in a Family of MnIII Salen-Type Schiff-Base Out-of-Plane Dimers","The Journal of Physical Chemistry C","2017","","","","","10.1021/acs.jpcc.7b03336","","","0.71073","MoKα","","0.0512","0.0354","","","0.0805","0.0865","","","","","","1.029","","","","has coordinates","197094","2020-10-21","18:00:00",""
"1546151","8.1","0.005","11.44","0.007","12.45","0.007","71.154","0.013","73.375","0.014","86.565","0.016","1045.5","1.1","103","","103","","","","","","","","","6","P -1","-P 1","2","","","","- C20 H20 Br2 Mn N5 O2 -","- C20 H20 Br2 Mn N5 O2 -","- C40 H40 Br4 Mn2 N10 O4 -","2","1","","Kachi-Terajima, Chihiro; Ishii, Rikako; Tojo, Yoshiaki; Fukuda, Masato; Kitagawa, Yasutaka; Asaoka, Mizuki; Miyasaka, Hitoshi","Ferromagnetic Exchange Coupling in a Family of MnIII Salen-Type Schiff-Base Out-of-Plane Dimers","The Journal of Physical Chemistry C","2017","","","","","10.1021/acs.jpcc.7b03336","","","0.7107","MoKα","","","0.026","","","","0.0704","","","","","","1.047","","","","has coordinates","197095","2020-10-21","18:00:00",""
"1546152","9.223","0.004","13.875","0.006","16.951","0.007","90","","101.021","0.006","90","","2129.2","1.6","103","","103","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C22 H26 Mn N3 O7 -","- C22 H26 Mn N3 O7 -","- C88 H104 Mn4 N12 O28 -","4","1","","Kachi-Terajima, Chihiro; Ishii, Rikako; Tojo, Yoshiaki; Fukuda, Masato; Kitagawa, Yasutaka; Asaoka, Mizuki; Miyasaka, Hitoshi","Ferromagnetic Exchange Coupling in a Family of MnIII Salen-Type Schiff-Base Out-of-Plane Dimers","The Journal of Physical Chemistry C","2017","","","","","10.1021/acs.jpcc.7b03336","","","0.7107","MoKα","","","0.0671","","","","0.176","","","","","","1.156","","","","has coordinates","197096","2020-10-21","18:00:00",""
"1546153","7.3962","0.0011","15.437","0.002","19.592","0.003","90","","90","","90","","2236.9","0.6","93","","93","","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C22 H28 Cl Mn N2 O7 -","- C22 H28 Cl Mn N2 O7 -","- C88 H112 Cl4 Mn4 N8 O28 -","4","1","","Kachi-Terajima, Chihiro; Ishii, Rikako; Tojo, Yoshiaki; Fukuda, Masato; Kitagawa, Yasutaka; Asaoka, Mizuki; Miyasaka, Hitoshi","Ferromagnetic Exchange Coupling in a Family of MnIII Salen-Type Schiff-Base Out-of-Plane Dimers","The Journal of Physical Chemistry C","2017","","","","","10.1021/acs.jpcc.7b03336","","","0.71073","MoKα","","0.0601","0.0456","","","0.0919","0.0972","","","","","","1.073","","","","has coordinates","197097","2020-10-21","18:00:00",""
"1546154","15.9799","0.0004","15.253","0.0004","17.7327","0.0005","90","","90","","90","","4322.2","0.2","100","","100","","","","","","","","","6","P b c a","-P 2ac 2ab","61","","","","- C23 H26 Mn N3 O2 S -","- C23 H26 Mn N3 O2 S -","- C184 H208 Mn8 N24 O16 S8 -","8","1","","Kachi-Terajima, Chihiro; Ishii, Rikako; Tojo, Yoshiaki; Fukuda, Masato; Kitagawa, Yasutaka; Asaoka, Mizuki; Miyasaka, Hitoshi","Ferromagnetic Exchange Coupling in a Family of MnIII Salen-Type Schiff-Base Out-of-Plane Dimers","The Journal of Physical Chemistry C","2017","","","","","10.1021/acs.jpcc.7b03336","","","0.71073","MoKα","","0.0397","0.0296","","","0.074","0.0793","","","","","","1.034","","","","has coordinates","197098","2020-10-21","18:00:00",""
"1546155","8.08","0.005","11.412","0.007","12.082","0.007","71.822","0.014","73.52","0.014","86.773","0.017","1014.4","1.1","103","","103","","","","","","","","","6","P -1","-P 1","2","","","","- C20 H20 Cl2 Mn N5 O2 -","- C20 H20 Cl2 Mn N5 O2 -","- C40 H40 Cl4 Mn2 N10 O4 -","2","1","","Kachi-Terajima, Chihiro; Ishii, Rikako; Tojo, Yoshiaki; Fukuda, Masato; Kitagawa, Yasutaka; Asaoka, Mizuki; Miyasaka, Hitoshi","Ferromagnetic Exchange Coupling in a Family of MnIII Salen-Type Schiff-Base Out-of-Plane Dimers","The Journal of Physical Chemistry C","2017","","","","","10.1021/acs.jpcc.7b03336","","","0.7107","MoKα","","","0.0237","","","","0.0643","","","","","","1.063","","","","has coordinates","197099","2020-10-21","18:00:00",""
"1546156","7.416","0.007","17.927","0.016","18.623","0.017","90","","93.457","0.011","90","","2471","4","103","","103","","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C23 H28 F3 Mn N2 O8 S -","- C23 H28 F3 Mn N2 O8 S -","- C92 H112 F12 Mn4 N8 O32 S4 -","4","1","","Kachi-Terajima, Chihiro; Ishii, Rikako; Tojo, Yoshiaki; Fukuda, Masato; Kitagawa, Yasutaka; Asaoka, Mizuki; Miyasaka, Hitoshi","Ferromagnetic Exchange Coupling in a Family of MnIII Salen-Type Schiff-Base Out-of-Plane Dimers","The Journal of Physical Chemistry C","2017","","","","","10.1021/acs.jpcc.7b03336","","","0.7107","MoKα","","","0.0744","","","","0.1725","","","","","","1.125","","","","has coordinates","197100","2020-10-21","18:00:00",""
"1546157","14.7377","0.0007","16.7073","0.0008","18.4223","0.0009","90","","90","","90","","4536.1","0.4","103","2","103","2","","","","","","","","6","P b c a","-P 2ac 2ab","61","","","","- C22 H26 Mn N2 O8 Re -","- C22 H26 Mn N2 O8 Re -","- C176 H208 Mn8 N16 O64 Re8 -","8","1","","Kachi-Terajima, Chihiro; Ishii, Rikako; Tojo, Yoshiaki; Fukuda, Masato; Kitagawa, Yasutaka; Asaoka, Mizuki; Miyasaka, Hitoshi","Ferromagnetic Exchange Coupling in a Family of MnIII Salen-Type Schiff-Base Out-of-Plane Dimers","The Journal of Physical Chemistry C","2017","","","","","10.1021/acs.jpcc.7b03336","","","0.71073","MoKα","","0.0565","0.0531","","","0.1031","0.1043","","","","","","1.329","","","","has coordinates","197101","2020-10-21","18:00:00",""
"1546158","8.7807","0.0014","14.932","0.0016","17.271","0.003","90","","102.122","0.006","90","","2214","0.6","103","","103","","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C23 H26 Mn N3 O4 S -","- C23 H26 Mn N3 O4 S -","- C92 H104 Mn4 N12 O16 S4 -","4","1","","Kachi-Terajima, Chihiro; Ishii, Rikako; Tojo, Yoshiaki; Fukuda, Masato; Kitagawa, Yasutaka; Asaoka, Mizuki; Miyasaka, Hitoshi","Ferromagnetic Exchange Coupling in a Family of MnIII Salen-Type Schiff-Base Out-of-Plane Dimers","The Journal of Physical Chemistry C","2017","","","","","10.1021/acs.jpcc.7b03336","","","0.7107","MoKα","","","0.0413","","","","0.119","","","","","","1.075","","","","has coordinates","197102","2020-10-21","18:00:00",""
"1546159","7.324","0.003","15.433","0.007","19.273","0.008","90","","90.0406","0.0014","90","","2178.5","1.6","103","","103","","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C20 H22 Cl3 Mn N2 O7 -","- C20 H22 Cl3 Mn N2 O7 -","- C80 H88 Cl12 Mn4 N8 O28 -","4","1","","Kachi-Terajima, Chihiro; Ishii, Rikako; Tojo, Yoshiaki; Fukuda, Masato; Kitagawa, Yasutaka; Asaoka, Mizuki; Miyasaka, Hitoshi","Ferromagnetic Exchange Coupling in a Family of MnIII Salen-Type Schiff-Base Out-of-Plane Dimers","The Journal of Physical Chemistry C","2017","","","","","10.1021/acs.jpcc.7b03336","","","0.7107","MoKα","","","0.0286","","","","0.0693","","","","","","1.066","","","","has coordinates","197103","2020-10-21","18:00:00",""
"1546160","8.741","0.005","18.116","0.009","13.841","0.007","90","","100.912","0.005","90","","2152","2","93","","93","","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C20 H20 Cl2 Mn N2 O6 Re -","- C20 H20 Cl2 Mn N2 O6 Re -","- C80 H80 Cl8 Mn4 N8 O24 Re4 -","4","1","","Kachi-Terajima, Chihiro; Ishii, Rikako; Tojo, Yoshiaki; Fukuda, Masato; Kitagawa, Yasutaka; Asaoka, Mizuki; Miyasaka, Hitoshi","Ferromagnetic Exchange Coupling in a Family of MnIII Salen-Type Schiff-Base Out-of-Plane Dimers","The Journal of Physical Chemistry C","2017","","","","","10.1021/acs.jpcc.7b03336","","","0.7107","MoKα","","","0.0166","","","","0.0544","","","","","","1.21","","","","has coordinates","197104","2020-10-21","18:00:00",""
"1546161","16.719","0.0006","14.5578","0.0005","17.9507","0.0006","90","","104.338","0.001","90","","4233","0.3","90","","90","","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C44 H52 Mn2 N10 O8 -","- C44 H52 Mn2 N10 O8 -","- C176 H208 Mn8 N40 O32 -","4","1","","Kachi-Terajima, Chihiro; Ishii, Rikako; Tojo, Yoshiaki; Fukuda, Masato; Kitagawa, Yasutaka; Asaoka, Mizuki; Miyasaka, Hitoshi","Ferromagnetic Exchange Coupling in a Family of MnIII Salen-Type Schiff-Base Out-of-Plane Dimers","The Journal of Physical Chemistry C","2017","","","","","10.1021/acs.jpcc.7b03336","","","0.71073","MoKα","","0.0465","0.0328","","","0.08","0.0859","","","","","","1.043","","","","has coordinates","197105","2020-10-21","18:00:00",""
"1546162","8.813","0.0004","14.3852","0.0006","16.9362","0.0007","81.336","0.001","75.607","0.001","84.498","0.001","2052.16","0.15","103","2","103","2","","","","","","","","5","P -1","-P 1","2","","","","- C22 H26 Mn N3 O5 -","- C22 H26 Mn N3 O5 -","- C88 H104 Mn4 N12 O20 -","4","2","","Kachi-Terajima, Chihiro; Ishii, Rikako; Tojo, Yoshiaki; Fukuda, Masato; Kitagawa, Yasutaka; Asaoka, Mizuki; Miyasaka, Hitoshi","Ferromagnetic Exchange Coupling in a Family of MnIII Salen-Type Schiff-Base Out-of-Plane Dimers","The Journal of Physical Chemistry C","2017","","","","","10.1021/acs.jpcc.7b03336","","","0.71073","MoKα","","0.0504","0.0366","","","0.0883","0.0944","","","","","","1.038","","","","has coordinates","214153","2020-10-21","18:00:00",""
"1546163","13.849","0.004","18.445","0.007","8.901","0.003","90","","100.56","0.02","90","","2235.2","1.3","153","","153","","","","","","","","","7","P 1 21/a 1","-P 2yab","14","","","","- C20 H20 Br2 Mn N2 O6 Re -","- C20 H20 Br2 Mn N2 O6 Re -","- C80 H80 Br8 Mn4 N8 O24 Re4 -","4","1","","Kachi-Terajima, Chihiro; Ishii, Rikako; Tojo, Yoshiaki; Fukuda, Masato; Kitagawa, Yasutaka; Asaoka, Mizuki; Miyasaka, Hitoshi","Ferromagnetic Exchange Coupling in a Family of MnIII Salen-Type Schiff-Base Out-of-Plane Dimers","The Journal of Physical Chemistry C","2017","","","","","10.1021/acs.jpcc.7b03336","","","0.71069","MoKα","","","0.0342","","","","0.1052","","","","","","1.047","","","","has coordinates","197107","2020-10-21","18:00:00",""
"1546164","10.927","0.002","5.4369","0.0014","13.378","0.002","90","","100.686","0.004","90","","781","0.3","173","2","173","2","","","","","","","","3","P 1 21 1","P 2yb","4","","","","- C17 H24 O3 -","- C17 H24 O3 -","- C34 H48 O6 -","2","1","","Liu, Yun-Ting; Chen, Ji-Qiang; Li, Lin-Ping; Shao, Xin-Yang; Xie, Jian-Hua; Zhou, Qi-Lin","Asymmetric Hydrogenation of Tetrasubstituted Cyclic Enones to Chiral Cycloalkanols with Three Contiguous Stereocenters.","Organic letters","2017","19","12","3231","3234","10.1021/acs.orglett.7b01343","","","1.54187","CuKα","","0.0325","0.0304","","","0.0861","0.0909","","","","","","1.081","","","","has coordinates","198428","2020-10-21","18:00:00",""
"1546165","10.8731","0.0004","11.2643","0.0004","14.1668","0.0004","92.003","0.002","93.9208","0.0019","101.502","0.002","1694.2","0.1","100","","100","","","","","","","","","3","P -1","-P 1","2","","","","- C16 H24 O7 -","- C16 H24 O7 -","- C64 H96 O28 -","4","2","","Giarrusso, James; Do, Dung T.; Johnson, Jeffrey S.","Chemoselective and Diastereoconvergent Cu(II)-Catalyzed Aerobic Endoperoxidation of Polycarbonyls.","Organic letters","2017","19","12","3107","3110","10.1021/acs.orglett.7b01225","","","1.54178","CuKα","","0.0522","0.0405","","","0.0971","0.1038","","","","","","1.038","","","","has coordinates","198433","2020-10-21","18:00:00",""
"1546166","8.999","0.0006","9.833","0.0006","17.8989","0.0011","90","","101.692","0.002","90","","1550.96","0.17","100","","100","","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C15 H22 O6 -","- C15 H22 O6 -","- C60 H88 O24 -","4","1","","Giarrusso, James; Do, Dung T.; Johnson, Jeffrey S.","Chemoselective and Diastereoconvergent Cu(II)-Catalyzed Aerobic Endoperoxidation of Polycarbonyls.","Organic letters","2017","19","12","3107","3110","10.1021/acs.orglett.7b01225","","","1.54178","CuKα","","0.0375","0.036","","","0.091","0.0923","","","","","","1.035","","","","has coordinates","198433","2020-10-21","18:00:00",""
"1546167","9.945","0.0005","10.1542","0.0005","10.9266","0.0006","73.626","0.002","65.348","0.002","74.857","0.002","949.02","0.09","100","","100","","","","","","","","","3","P -1","-P 1","2","","","","- C19 H28 O7 -","- C19 H28 O7 -","- C38 H56 O14 -","2","1","","Giarrusso, James; Do, Dung T.; Johnson, Jeffrey S.","Chemoselective and Diastereoconvergent Cu(II)-Catalyzed Aerobic Endoperoxidation of Polycarbonyls.","Organic letters","2017","19","12","3107","3110","10.1021/acs.orglett.7b01225","","","1.54178","CuKα","","0.0419","0.0387","","","0.104","0.1074","","","","","","1.039","","","","has coordinates","198433","2020-10-21","18:00:00",""
"1546168","8.4306","0.0004","11.7839","0.0006","12.6627","0.0006","96.816","0.004","105.872","0.005","103.544","0.005","1153.69","0.11","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C26 H30 F2 N2 O2 -","- C26 H30 F2 N2 O2 -","- C52 H60 F4 N4 O4 -","2","1","","Maity, Soham; Dolui, Pravas; Kancherla, Rajesh; Maiti, Debabrata","Introducing unactivated acyclic internal aliphatic olefins into a cobalt catalyzed allylic selective dehydrogenative Heck reaction","Chem. Sci.","2017","","","","","10.1039/C7SC01204G","","x-ray","0.71073","MoKα","","0.1155","0.077","","","0.2086","0.2623","","","","","","1.108","","","","has coordinates","197117","2020-10-21","18:00:00",""
"1546169","18.6834","0.0011","9.2143","0.0005","15.3519","0.0008","90","","108.428","0.002","90","","2507.4","0.2","100","2","100","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C20 H40 Al Si3 Ti -","- C20 H40 Al Si3 Ti -","- C80 H160 Al4 Si12 Ti4 -","4","1","","Brown, Alexandra C.; Altman, Alison B.; Lohrey, Trevor D.; Hohloch, Stephan; Arnold, John","Hydride oxidation from a titanium‒aluminum bimetallic complex: insertion, thermal and electrochemical reactivity","Chem. Sci.","2017","","","","","10.1039/C7SC01835E","","","0.71073","MoKα","","0.0493","0.0418","","","0.1052","0.1113","","","","","","1.101","","","","has coordinates","197118","2020-10-21","18:00:00",""
"1546170","12.149","0.0006","16.6519","0.0009","18.1791","0.0009","105.807","0.003","102.06","0.002","91.054","0.003","3449.4","0.3","100","2","100","2","","","","","","","","6","P -1","-P 1","2","ACB_1_140","","","- C30 H47 Al F4 Si3 Ti2 -","- C30 H47 Al F4 Si3 Ti2 -","- C120 H188 Al4 F16 Si12 Ti8 -","4","2","","Brown, Alexandra C.; Altman, Alison B.; Lohrey, Trevor D.; Hohloch, Stephan; Arnold, John","Hydride oxidation from a titanium‒aluminum bimetallic complex: insertion, thermal and electrochemical reactivity","Chem. Sci.","2017","","","","","10.1039/C7SC01835E","","","0.71073","MoKα","","0.1002","0.0578","","","0.1261","0.1429","","","","","","1.042","","","","has coordinates","197118","2020-10-21","18:00:00",""
"1546171","13.804","0.0005","20.5426","0.001","18.7994","0.0009","90","","105.291","0.002","90","","5142.2","0.4","100","2","100","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","acb_1_097","","","- C21.5 H41.5 Al Si3 Ti -","- C21.5 H41.5 Al Si3 Ti -","- C172 H332 Al8 Si24 Ti8 -","8","2","","Brown, Alexandra C.; Altman, Alison B.; Lohrey, Trevor D.; Hohloch, Stephan; Arnold, John","Hydride oxidation from a titanium‒aluminum bimetallic complex: insertion, thermal and electrochemical reactivity","Chem. Sci.","2017","","","","","10.1039/C7SC01835E","","","0.71073","MoKα","","0.0505","0.0384","","","0.0896","0.0955","","","","","","1.066","","","","has coordinates","197118","2020-10-21","18:00:00",""
"1546172","13.5985","0.0005","13.6009","0.0005","16.6858","0.0007","106.549","0.0016","107.02","0.0015","98.4556","0.0015","2737.85","0.19","100","2","100","2","","","","","","","","6","P -1","-P 1","2","","","","- C18 H46 Al K O2 Si3 -","- C18 H46 Al K O2 Si3 -","- C72 H184 Al4 K4 O8 Si12 -","4","2","","Brown, Alexandra C.; Altman, Alison B.; Lohrey, Trevor D.; Hohloch, Stephan; Arnold, John","Hydride oxidation from a titanium‒aluminum bimetallic complex: insertion, thermal and electrochemical reactivity","Chem. Sci.","2017","","","","","10.1039/C7SC01835E","","","0.71073","MoKα","","0.0887","0.043","","","0.1158","0.1343","","","","","","1.04","","","","has coordinates","197118","2020-10-21","18:00:00",""
"1546173","17.5367","0.0005","11.3812","0.0003","18.6758","0.0005","90","","115.366","0.001","90","","3368.11","0.16","100","2","100","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","acb_1_088","","","- C30 H58 Al Si3 Ti -","- C30 H58 Al Si3 Ti -","- C120 H232 Al4 Si12 Ti4 -","4","1","","Brown, Alexandra C.; Altman, Alison B.; Lohrey, Trevor D.; Hohloch, Stephan; Arnold, John","Hydride oxidation from a titanium‒aluminum bimetallic complex: insertion, thermal and electrochemical reactivity","Chem. Sci.","2017","","","","","10.1039/C7SC01835E","","","0.71073","MoKα","","0.054","0.0477","","","0.1232","0.1287","","","","","","1.066","","","","has coordinates","197118","2020-10-21","18:00:00",""
"1546174","13.9593","0.0011","26.812","0.002","9.5669","0.0006","90","","90.391","0.004","90","","3580.6","0.4","104","2","104","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C30 H47 Al Si3 Ti2 -","- C30 H47 Al Si3 Ti2 -","- C120 H188 Al4 Si12 Ti8 -","4","1","","Brown, Alexandra C.; Altman, Alison B.; Lohrey, Trevor D.; Hohloch, Stephan; Arnold, John","Hydride oxidation from a titanium‒aluminum bimetallic complex: insertion, thermal and electrochemical reactivity","Chem. Sci.","2017","","","","","10.1039/C7SC01835E","","","0.71073","MoKα","","0.0745","0.0484","","","0.1128","0.1201","","","","","","0.945","","","","has coordinates","197118","2020-10-21","18:00:00",""
"1546175","11.8167","0.0011","16.7464","0.0016","18.0477","0.0018","105.953","0.004","103.15","0.004","90.965","0.004","3331.8","0.6","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","","","- C30 H51 Al Si3 Ti2 -","- C30 H51 Al Si3 Ti2 -","- C120 H204 Al4 Si12 Ti8 -","4","2","","Brown, Alexandra C.; Altman, Alison B.; Lohrey, Trevor D.; Hohloch, Stephan; Arnold, John","Hydride oxidation from a titanium‒aluminum bimetallic complex: insertion, thermal and electrochemical reactivity","Chem. Sci.","2017","","","","","10.1039/C7SC01835E","","","0.71073","MoKα","","0.1062","0.0933","","","0.2365","0.247","","","","","","1.052","","","","has coordinates","197118","2020-10-21","18:00:00",""
"1546176","15.9334","0.0005","8.8807","0.0002","41.2358","0.0012","90","","92.756","0.002","90","","5828.1","0.3","100","2","100","2","","","","","","","","8","P 1 21/n 1","-P 2yn","14","(Cp)2Ti(u-H)(u-OTf)Al(H)C(TMS)3","","","- C21 H39 Al F3 O3 S Si3 Ti -","- C21 H39 Al F3 O3 S Si3 Ti -","- C168 H312 Al8 F24 O24 S8 Si24 Ti8 -","8","2","","Brown, Alexandra C.; Altman, Alison B.; Lohrey, Trevor D.; Hohloch, Stephan; Arnold, John","Hydride oxidation from a titanium‒aluminum bimetallic complex: insertion, thermal and electrochemical reactivity","Chem. Sci.","2017","","","","","10.1039/C7SC01835E","","","0.71073","MoKα","","0.0785","0.0532","","","0.1174","0.1285","","","","","","1.038","","","","has coordinates,has disorder","197118","2020-10-21","18:00:00",""
"1546177","12.528","0.007","18.992","0.01","15.352","0.008","90","","90","","90","","3653","3","100","2","100","2","","","","","","","","7","P n a 21","P 2c -2n","33","","","","- C30 H56 Al N2 O3 Si3 Ti -","- C30 H56 Al N2 O3 Si3 Ti -","- C120 H224 Al4 N8 O12 Si12 Ti4 -","4","1","","Brown, Alexandra C.; Altman, Alison B.; Lohrey, Trevor D.; Hohloch, Stephan; Arnold, John","Hydride oxidation from a titanium‒aluminum bimetallic complex: insertion, thermal and electrochemical reactivity","Chem. Sci.","2017","","","","","10.1039/C7SC01835E","","","0.7749","synchrotron","","0.0325","0.0278","","","0.063","0.065","","","","","","1.037","","","","has coordinates","197118","2020-10-21","18:00:00",""
"1546178","11.686","0.008","15.497","0.01","18.639","0.012","90","","107.884","0.005","90","","3212","4","100","2","100","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C27 H54 Al N2 Si3 Ti -","- C27 H54 Al N2 Si3 Ti -","- C108 H216 Al4 N8 Si12 Ti4 -","4","1","","Brown, Alexandra C.; Altman, Alison B.; Lohrey, Trevor D.; Hohloch, Stephan; Arnold, John","Hydride oxidation from a titanium‒aluminum bimetallic complex: insertion, thermal and electrochemical reactivity","Chem. Sci.","2017","","","","","10.1039/C7SC01835E","","","0.7749","synchrotron","","0.0386","0.0306","","","0.0735","0.0768","","","","","","1.041","","","","has coordinates,has disorder","197118","2020-10-21","18:00:00",""
"1546179","7.1689","0.0013","9.283","0.0015","11.8655","0.0016","95.669","0.01","91.769","0.011","107.117","0.013","749.5","0.2","100","","100","","","","","","","","","5","P -1","-P 1","2","","1,2(bis-4-pyridyl)ethane fluorohydroquinone co-crystal","","- C18 H17 F N2 O2 -","- C18 H17 F N2 O2 -","- C36 H34 F2 N4 O4 -","2","1","","Robertson, Craig. C.; Wright, James S.; Carrington, Elliot J.; Perutz, Robin N.; Hunter, Christopher A.; Brammer, Lee","Hydrogen bonding vs. halogen bonding: the solvent decides","Chem. Sci.","2017","","","","","10.1039/C7SC01801K","","","1.54178","CuKα","","0.1014","0.0701","","","0.1822","0.2093","","","","","","1.019","","","","has coordinates,has disorder","197134","2020-10-21","18:00:00",""
"1546180","6.1939","0.0004","7.4692","0.0005","9.0672","0.0006","86.863","0.005","75.722","0.005","71.755","0.004","385.97","0.05","100","","100","","","","","","","","","5","P -1","-P 1","2","","1,2-Bis(4-pyridyl)ethane tetrafluorohydroquinone co-crystal","","- C18 H14 F4 N2 O2 -","- C18 H14 F4 N2 O2 -","- C18 H14 F4 N2 O2 -","1","0.5","","Robertson, Craig. C.; Wright, James S.; Carrington, Elliot J.; Perutz, Robin N.; Hunter, Christopher A.; Brammer, Lee","Hydrogen bonding vs. halogen bonding: the solvent decides","Chem. Sci.","2017","","","","","10.1039/C7SC01801K","","","0.71073","MoKα","","0.0573","0.0388","","","0.0851","0.0955","","","","","","1.022","","","","has coordinates","197134","2020-10-21","18:00:00",""
"1546181","13.6329","0.0004","14.5215","0.0004","63.8849","0.0018","90","","91.6616","0.0012","90","","12642","0.6","100","2","100","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C65 H74 B N9 O4.28 S Zn -","- C65 H74 B N9 O4.2765 S Zn -","- C520 H592 B8 N72 O34.212 S8 Zn8 -","8","2","","Kirk, Martin L.; Shultz, David A.; Zhang, Jinyuan; Dangi, Ranjana; Ingersol, Laura; Yang, Jing; Finney, Nathaniel S.; Sommer, Roger D.; Wojtas, Lukasz","Heterospin biradicals provide insight into molecular conductance and rectification","Chem. Sci.","2017","","","","","10.1039/C7SC00073A","","","1.54178","CuKα","","0.1018","0.0901","","","0.2021","0.2082","","","","","","1.131","","","","has coordinates,has disorder","197135","2020-10-21","18:00:00",""
"1546182","22.0024","0.0013","16.5492","0.0012","21.1852","0.0008","90","","112.792","0.002","90","","7111.7","0.7","110","2","110","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","TP-DCM","","","- C65 H74 B N9 O4 S Zn -","- C65 H74 B N9 O4 S Zn -","- C260 H296 B4 N36 O16 S4 Zn4 -","4","1","","Kirk, Martin L.; Shultz, David A.; Zhang, Jinyuan; Dangi, Ranjana; Ingersol, Laura; Yang, Jing; Finney, Nathaniel S.; Sommer, Roger D.; Wojtas, Lukasz","Heterospin biradicals provide insight into molecular conductance and rectification","Chem. Sci.","2017","","","","","10.1039/C7SC00073A","","","0.71073","MoKα","","0.0673","0.0528","","","0.1472","0.1604","","","","","","1.059","","","","has coordinates","197135","2020-10-21","18:00:00",""
"1546183","6.853","0.0002","9.6726","0.0003","21.2802","0.0007","90","","90","","90","","1410.59","0.08","120","2","120","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C13 H15 Cl O5 S -","- C13 H15 Cl O5 S -","- C52 H60 Cl4 O20 S4 -","4","1","","Espina, Marta; Corte-Rodríguez, Mario; Aguado, Leticia; Montes-Bayón, María; Sierra, Marta I.; Martínez-Camblor, Pablo; Blanco-González, Elisa; Sierra, L María","Cisplatin resistance in cell models: evaluation of metallomic and biological predictive biomarkers to address early therapy failure.","Metallomics : integrated biometal science","2017","9","5","564","574","10.1039/c7mt00014f","","","0.71073","MoKα","","0.0309","0.0276","","","0.0666","0.0683","","","","","","1.051","","","","has coordinates","197143","2020-10-21","18:00:00",""
"1546184","21.102","0.008","10.963","0.006","5.929","0.002","90","","92.57","0.05","90","","1370.2","1","160","2","160","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C14 H16 O4 S -","- C14 H16 O4 S -","- C56 H64 O16 S4 -","4","1","","Espina, Marta; Corte-Rodríguez, Mario; Aguado, Leticia; Montes-Bayón, María; Sierra, Marta I.; Martínez-Camblor, Pablo; Blanco-González, Elisa; Sierra, L María","Cisplatin resistance in cell models: evaluation of metallomic and biological predictive biomarkers to address early therapy failure.","Metallomics : integrated biometal science","2017","9","5","564","574","10.1039/c7mt00014f","","","0.71073","MoKα","","0.1293","0.0521","","","0.125","0.1498","","","","","","1.008","","","","has coordinates","197143","2020-10-21","18:00:00",""
"1546185","10.664","0.01","10.664","0.01","10.664","0.01","90","","90","","90","","1213","2","213","2","213","2","","","","","","","","4","F m -3 m","-F 4 2 3","225","","","","- Ag Cl6 Cs2 Sb -","- Ag Cl6 Cs2 Sb -","- Ag4 Cl24 Cs8 Sb4 -","4","0.0208333","","Tran, T. Thao; Panella, Jessica R.; Chamorro, Juan R.; Morey, Jennifer R.; McQueen, Tyrel M.","Designing Indirect-Direct Bandgap Transitions in Double Perovskites","Mater. Horiz.","2017","","","","","10.1039/C7MH00239D","","","0.71073","MoKα","","0.0101","0.0088","","","0.0252","0.0258","","","","","","1.017","","","","has coordinates","197148","2020-10-21","18:00:00",""
"1546186","10.469","0.011","10.469","0.011","10.469","0.011","90","","90","","90","","1147","2","213","2","213","2","","","","","","","","4","F m -3 m","-F 4 2 3","225","","","","- Ag Cl6 Cs2 In -","- Ag Cl6 Cs2 In -","- Ag4 Cl24 Cs8 In4 -","4","0.0208333","","Tran, T. Thao; Panella, Jessica R.; Chamorro, Juan R.; Morey, Jennifer R.; McQueen, Tyrel M.","Designing Indirect-Direct Bandgap Transitions in Double Perovskites","Mater. Horiz.","2017","","","","","10.1039/C7MH00239D","","","0.71073","MoKα","","0.0069","0.0067","","","0.0205","0.0208","","","","","","1.44","","","","has coordinates","197148","2020-10-21","18:00:00",""
"1546187","31.169","0.0013","5.462","0.0002","19.627","0.0008","90","","102.81","","90","","3258.2","0.2","293","2","293","2","","","","","","","","6","I 1 2/a 1","-I 2ya","15","","1,7,10,16-Tetraoxa-4,13-diazacyclo-octadecane 1,8-diiodoperfluorooctane","","- C20 H26 F16 I2 N2 O4 -","- C20 H26 F16 I2 N2 O4 -","- C80 H104 F64 I8 N8 O16 -","4","0.5","","Zavala, Jose; Greenan, Rebecca; Krantz, Q. Todd; DeMarini, David M.; Higuchi, Mark; Gilmour, M. Ian; White, Paul A.","Regulating temperature and relative humidity in air‒liquid interface in vitro systems eliminates cytotoxicity resulting from control air exposures","Toxicol. Res.","2017","","","","","10.1039/C7TX00109F","","","0.71069","MoKα","","0.0572","0.0413","","","0.1153","0.1242","","","","","","1.06","","","","has coordinates,has disorder","197149","2020-10-21","18:00:00",""
"1546188","10.4008","0.0008","19.8632","0.0015","8.9591","0.0007","90","","91.71","0.002","90","","1850.1","0.2","296","2","296","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C25 H19 N O -","- C25 H19 N O -","- C100 H76 N4 O4 -","4","1","","Yao, Tuanli; Ren, Beige; Wang, Bo; Zhao, Yanna","Highly Selective Synthesis of Dihydrobenzo[d]isoxazoles and Dihydrobenzo[d]oxazoles from Oximes and Arynes via in Situ Generation of Nitrones.","Organic letters","2017","19","12","3135","3138","10.1021/acs.orglett.7b01260","","","0.71073","MoKα","","0.1376","0.0845","","","0.1632","0.1859","","","","","","1.095","","","","has coordinates","198426","2020-10-21","18:00:00",""
"1546189","9.4297","0.0016","9.7758","0.0016","18.503","0.003","90","","103.717","0.011","90","","1657","0.5","276","2","276","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C21 H19 N O -","- C21 H19 N O -","- C84 H76 N4 O4 -","4","1","","Yao, Tuanli; Ren, Beige; Wang, Bo; Zhao, Yanna","Highly Selective Synthesis of Dihydrobenzo[d]isoxazoles and Dihydrobenzo[d]oxazoles from Oximes and Arynes via in Situ Generation of Nitrones.","Organic letters","2017","19","12","3135","3138","10.1021/acs.orglett.7b01260","","","0.71073","MoKα","","0.152","0.085","","","0.1721","0.1976","","","","","","1.073","","","","has coordinates","198426","2020-10-21","18:00:00",""
"1546190","8.098","0.003","14.164","0.005","11.844","0.005","90","","98.751","0.015","90","","1342.7","0.9","298","2","298","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C17 H13 N O2 -","- C17 H13 N O2 -","- C68 H52 N4 O8 -","4","1","","Samineni, Ramesh; Madapa, Jaipal; Srihari, Pabbaraja; Mehta, Goverdhan","Spiroannulation of Oxindoles via Aryne and Alkyne Incorporation: Substituent-Diverted, Transition-Metal-Free, One-Pot Access to Spirooxindoles.","Organic letters","2017","19","12","3119","3122","10.1021/acs.orglett.7b01233","","","0.71073","MoKα","","0.1175","0.0601","","","0.1283","0.1494","","","","","","1.025","","","","has coordinates","198427","2020-10-21","18:00:00",""
"1546191","9.593","0.006","16.282","0.009","12.782","0.007","90","","100.516","0.018","90","","1963","2","298","2","298","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C26 H19 N O3 -","- C26 H19 N O3 -","- C104 H76 N4 O12 -","4","1","","Samineni, Ramesh; Madapa, Jaipal; Srihari, Pabbaraja; Mehta, Goverdhan","Spiroannulation of Oxindoles via Aryne and Alkyne Incorporation: Substituent-Diverted, Transition-Metal-Free, One-Pot Access to Spirooxindoles.","Organic letters","2017","19","12","3119","3122","10.1021/acs.orglett.7b01233","","","0.71073","MoKα","","0.1394","0.0606","","","0.0973","0.1175","","","","","","1.049","","","","has coordinates","198427","2020-10-21","18:00:00",""
"1546192","11.1357","0.0016","12.5468","0.0019","22.93","0.003","90","","90","","90","","3203.7","0.8","296","2","296","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C19 H26 N2 -","- C19 H26 N2 -","- C152 H208 N16 -","8","2","","Wang, Nengzhong; Du, Shuo; Li, Dong; Jiang, Xuefeng","Divergent Asymmetric Total Synthesis of (+)-Vincadifformine, (-)-Quebrachamine, (+)-Aspidospermidine, (-)-Aspidospermine, (-)-Pyrifolidine, and Related Natural Products.","Organic letters","2017","19","12","3167","3170","10.1021/acs.orglett.7b01292","","","0.71073","MoKα","","0.1259","0.0769","","","0.1942","0.233","","","","","","1.042","","","","has coordinates","198429","2020-10-21","18:00:00",""
"1546193","8.558","0.004","9.278","0.004","11.548","0.005","89.047","0.008","68.729","0.007","70.014","0.008","796.9","0.6","170","","170","","","","","","","","","6","P -1","-P 1","2","","","","- C13 H12 F3 N O6 Ru -","- C13 H12 F3 N O6 Ru -","- C26 H24 F6 N2 O12 Ru2 -","2","1","","Fan, Zhoulong; Li, Jie; Lu, Heng; Wang, Dong-Yu; Wang, Chao; Uchiyama, Masanobu; Zhang, Ao","Monomeric Octahedral Ruthenium(II) Complex Enabled meta-C‒H Nitration of Arenes with Removable Auxiliaries","Organic Letters","2017","","","","","10.1021/acs.orglett.7b01297","","","0.71073","MoKα","","0.0286","0.0274","","","0.0897","0.0916","","","","","","1.017","","","","has coordinates","197175","2020-10-21","18:00:00",""
"1546194","10.7535","0.0005","6.972","0.0003","12.657","0.0006","90","","110.71","0.002","90","","887.62","0.07","150","","150","","","","","","","","","4","P 1 21 1","P 2yb","4","","2-((1R,2S,4aS,8aS)-2-hydroxy-2,5,5,8a-tetramethyldecahydronaphthalen-1-yl)-N-methoxy-N-methylacetamide","","- C18 H33 N O3 -","- C18 H33 N O3 -","- C36 H66 N2 O6 -","2","1","","Novaes, Luiz F. T.; Pastre, Julio C.","Formal Total Synthesis of Actinoranone and Asymmetric Synthesis of Labda-7,13-(E)-dien-15-ol.","Organic letters","2017","","","","","10.1021/acs.orglett.7b01287","","","1.54184","CuKα","","0.0349","0.0341","","","0.1014","0.1034","","","","","","0.9079","","","","has coordinates","278046","2022-09-21","15:45:40",""
"1546195","8.5342","0.0014","8.687","0.0014","18.025","0.003","88.68","0.003","84.146","0.003","78.769","0.003","1303.9","0.4","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","","","- C28 H23 Br2 N5 O4 -","- C28 H23 Br2 N5 O4 -","- C56 H46 Br4 N10 O8 -","2","1","","Wang, Xiao; Wu, Lin; Yang, Peng; Song, Xiang-Jia; Ren, Hong-Xia; Peng, Lin; Wang, Li-Xin","Isatin N,N'-Cyclic Azomethine Imine 1,3-Dipole and Base Catalyzed Michael Addition with β-Nitrostyrene via C3 Umpolung of Oxindole.","Organic letters","2017","19","12","3051","3054","10.1021/acs.orglett.7b01063","","","0.71073","MoKα","","0.0578","0.0405","","","0.0997","0.1069","","","","","","1.022","","","","has coordinates","198431","2020-10-21","18:00:00",""
"1546196","14.494","0.005","15.866","0.005","18.793","0.009","96.478","0.014","90.043","0.01","90.052","0.018","4294","3","100","","100.01","","","","","","","","","7","P -1","-P 1","2","","","","- C16 H34 F N O4 S Si -","- C16 H34 F N O4 S Si -","- C128 H272 F8 N8 O32 S8 Si8 -","8","4","","Liu, Lu; Gerstner, Nels C.; Oxtoby, Lucas J.; Guzei, Ilia A.; Schomaker, Jennifer M.","Fluorinated Amine Stereotriads via Allene Amination","Organic Letters","2017","","","","","10.1021/acs.orglett.7b01342","","x-ray","0.71073","MoKα","","0.069","0.0498","","","0.1246","0.1337","","","","","","1.09","","","","has coordinates,has disorder","197178","2020-10-21","18:00:00",""
"1546197","13.5017","0.0003","18.3754","0.0002","16.0677","0.0002","90","","104.555","0.0017","90","","3858.45","0.11","93","","93","","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C81.02 H72.05 Cl4.05 F12 N4 O8 Sb2 -","- C81.024 H72.048 Cl4.048 F12 N4 O8 Sb2 -","- C162.048 H144.096 Cl8.096 F24 N8 O16 Sb4 -","2","0.5","","Kurata, Ryohei; Sakamaki, Daisuke; Ito, Akihiro","Tetraaza[1.1.1.1]m,p,m,p-cyclophane Diradical Dications Revisited: Tuning Spin States by Confronted Arenes.","Organic letters","2017","19","12","3115","3118","10.1021/acs.orglett.7b01229","","","1.54187","CuKα","","0.0559","0.0475","","","0.1276","0.1337","","","","","","1.029","","","","has coordinates,has disorder","198437","2020-10-21","18:00:00",""
"1546198","12.556","0.002","18.88","0.003","24.126","0.004","90","","91.189","0.003","90","","5718","1.6","143","","143","","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C67 H38 B F20 N2 O4 -","- C67 H38 B F20 N2 O4 -","- C268 H152 B4 F80 N8 O16 -","4","1","","Kurata, Ryohei; Sakamaki, Daisuke; Ito, Akihiro","Tetraaza[1.1.1.1]m,p,m,p-cyclophane Diradical Dications Revisited: Tuning Spin States by Confronted Arenes.","Organic letters","2017","19","12","3115","3118","10.1021/acs.orglett.7b01229","","","0.71075","MoKα","","0.0911","0.0661","","","0.153","0.1681","","","","","","1.115","","","","has coordinates","198437","2020-10-21","18:00:00",""
"1546199","12.237","0.0002","12.4525","0.0002","13.7714","0.0003","90","","90","","90","","2098.5","0.07","173","","173","","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C25 H24 N2 O3 -","- C25 H24 N2 O3 -","- C100 H96 N8 O12 -","4","1","","Tabata, Hidetsugu; Yoneda, Tetsuya; Oshitari, Tetsuta; Takahashi, Hideyo; Natsugari, Hideaki","Tolvaptan-Type Vasopressin Receptor Ligands: Important Role of Axial Chirality in the Active Form.","Journal of medicinal chemistry","2017","60","10","4503","4509","10.1021/acs.jmedchem.7b00422","","","1.54187","CuKα","","0.033","0.0311","","","0.0995","0.1026","","","","","","0.904","","","","has coordinates","197313","2020-10-21","18:00:00",""
"1546200","14.9136","0.0006","14.9888","0.0006","22.7918","0.0009","97.926","0.002","93.125","0.002","114.454","0.002","4558.1","0.3","170","","170","","","","","","","","","3","P 1","P 1","1","","","","- C30.5 H60.33333 O5.83333 -","- C30.6667 H54.3333 O5.66667 -","- C184 H326 O34 -","6","6","","Niu, Biao; Ke, Chang-Qiang; Li, Bo-Han; Li, Yuanyuan; Yi, Yongji; Luo, Yongwei; Shuai, Lin; Yao, Sheng; Lin, Li-Gen; Li, Jia; Ye, Yang","Cucurbitane Glucosides from the Crude Extract of Siraitia grosvenorii with Moderate Effects on PGC-1α Promoter Activity.","Journal of natural products","2017","80","5","1428","1435","10.1021/acs.jnatprod.6b01086","","","1.54178","CuKα","","0.0896","0.0824","","","0.213","0.2199","","","","","","1.066","","","","has coordinates,has disorder","217633","2020-10-21","18:00:00",""
"1546201","7.45094","0.00006","9.21543","0.00008","26.7264","0.0002","90","","90","","90","","1835.13","0.03","103","2","103","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C21 H32 N2 O -","- C21 H32 N2 O -","- C84 H128 N8 O4 -","4","1","","Luo, Pan; Xia, Wenjuan; Morris-Natschke, Susan L; Lee, Kuo-Hsiung; Zhao, Yu; Gu, Qiong; Xu, Jun","Vitepyrroloids A-D, 2-Cyanopyrrole-Containing Labdane Diterpenoid Alkaloids from the Leaves of Vitex trifolia.","Journal of natural products","2017","80","5","1679","1683","10.1021/acs.jnatprod.6b01195","","x-ray","1.54184","CuKα","","0.0302","0.0298","","","0.0737","0.0738","","","","","","1.05","","","","has coordinates","278046","2022-09-21","15:45:40",""
"1546202","6.209","0.0002","7.0974","0.0001","19.3995","0.0006","90","","90.588","0.002","90","","854.85","0.04","100","","100","","","","","","","","","4","P 1 21 1","P 2yb","4","","3,6-Anhydro-2,8-dideoxy-5-O-tert-butyldimethylsilyl-L-glycero-L-gluco-octano-1,4-lactone","","- C14 H26 O5 Si -","- C14 H26 O5 Si -","- C28 H52 O10 Si2 -","2","1","","Markovič, Martin; Koóš, Peter; Čarný, Tomáš; Sokoliová, Saskia; Boháčiková, Nikola; Moncol, Ján; Gracza, Tibor","Total Synthesis, Configuration Assignment, and Cytotoxic Activity Evaluation of Protulactone A.","Journal of natural products","2017","80","5","1631","1638","10.1021/acs.jnatprod.7b00212","","","1.54186","CuKα","","0.0332","0.0326","","","0.0884","0.0886","","","","","","1.072","","","","has coordinates","197317","2020-10-21","18:00:00",""
"1546203","5.9878","0.0003","7.3276","0.0002","18.7222","0.0007","90","","97.466","0.003","90","","814.49","0.06","100","","100","","","","","","","","","4","P 1 21 1","P 2yb","4","","3,6-anhydro-2,8-dideoxy-5-O-tert-butyldimethylsilyl-D-glycero-L-gluco-octano-1,4-lactone","","- C14 H26 O5 Si -","- C14 H26 O5 Si -","- C28 H52 O10 Si2 -","2","1","","Markovič, Martin; Koóš, Peter; Čarný, Tomáš; Sokoliová, Saskia; Boháčiková, Nikola; Moncol, Ján; Gracza, Tibor","Total Synthesis, Configuration Assignment, and Cytotoxic Activity Evaluation of Protulactone A.","Journal of natural products","2017","80","5","1631","1638","10.1021/acs.jnatprod.7b00212","","","1.54186","CuKα","","0.0366","0.0314","","","0.0803","0.0958","","","","","","1.173","","","","has coordinates","197317","2020-10-21","18:00:00",""
"1546204","6.2011","0.0004","7.0991","0.0004","19.423","0.0013","90","","90.899","0.005","90","","854.94","0.09","100","","100","","","","","","","","","4","P 1 21 1","P 2yb","4","","3,6-Anhydro-2,8-dideoxy-5-O-tert-butyldimethylsilyl-D-glycero-D-gluco-octano-1,4-lactone","","- C14 H26 O5 Si -","- C14 H26 O5 Si -","- C28 H52 O10 Si2 -","2","1","","Markovič, Martin; Koóš, Peter; Čarný, Tomáš; Sokoliová, Saskia; Boháčiková, Nikola; Moncol, Ján; Gracza, Tibor","Total Synthesis, Configuration Assignment, and Cytotoxic Activity Evaluation of Protulactone A.","Journal of natural products","2017","80","5","1631","1638","10.1021/acs.jnatprod.7b00212","","","1.54186","CuKα","","0.0748","0.0641","","","0.1592","0.1664","","","","","","0.991","","","","has coordinates","197317","2020-10-21","18:00:00",""
"1546205","5.9893","0.0001","7.3207","0.0001","18.7356","0.0004","90","","97.532","0.002","90","","814.39","0.03","100","","100","","","","","","","","","4","P 1 21 1","P 2yb","4","","3,6-anhydro-2,8-dideoxy-5-O-tert-butyldimethylsilyl-L-glycero-D-gluco-octano-1,4-lactone","","- C14 H26 O5 Si -","- C14 H26 O5 Si -","- C28 H52 O10 Si2 -","2","1","","Markovič, Martin; Koóš, Peter; Čarný, Tomáš; Sokoliová, Saskia; Boháčiková, Nikola; Moncol, Ján; Gracza, Tibor","Total Synthesis, Configuration Assignment, and Cytotoxic Activity Evaluation of Protulactone A.","Journal of natural products","2017","80","5","1631","1638","10.1021/acs.jnatprod.7b00212","","","1.54186","CuKα","","0.024","0.0239","","","0.0656","0.0657","","","","","","1.059","","","","has coordinates","197317","2020-10-21","18:00:00",""
"1546206","24.3633","0.0004","9.12727","0.00013","31.0898","0.0006","90","","109.128","0.002","90","","6531.8","0.2","99.9","0.2","100","80","","","","","","","","3","P 1 21 1","P 2yb","4","","","","- C23 H28 O7 -","- C23 H28 O7 -","- C276 H336 O84 -","12","6","","Hong, Min Jee; Kim, Jinwoong","Determination of the Absolute Configuration of Khellactone Esters from Peucedanum japonicum Roots.","Journal of natural products","2017","80","5","1354","1360","10.1021/acs.jnatprod.6b00947","","x-ray","1.54184","CuKα","","0.0464","0.0417","","","0.1069","0.1107","","","","","","1.031","","","","has coordinates,has disorder","197318","2020-10-21","18:00:00",""
"1546207","11.2706","0.0003","28.0835","0.0008","10.5737","0.0003","90","","116.053","0.001","90","","3006.69","0.15","120","2","120","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C30 H33 Cl3 N2 O2 Si -","- C30 H33 Cl3 N2 O2 Si -","- C120 H132 Cl12 N8 O8 Si4 -","4","1","","Rodriguez, Kevin X.; Kaltwasser, Nicolai; Toni, Tiffany A.; Ashfeld, Brandon L.","Rearrangement of an Intermediate Cyclopropyl Ketene in a Rh(II)-Catalyzed Formal [4 + 1]-Cycloaddition Employing Vinyl Ketenes as 1,4-Dipoles and Donor-Acceptor Metallocarbenes.","Organic letters","2017","19","10","2482","2485","10.1021/acs.orglett.7b00618","","","1.54178","CuKα","","0.0444","0.0367","","","0.0903","0.0945","","","","","","1.04","","","","has coordinates","197352","2020-10-21","18:00:00",""
"1546208","28.8798","0.0002","28.8798","0.0002","25.2097","0.0003","90","","90","","120","","18209","0.3","120","2","120","2","","","","","","","","5","R -3 :H","-R 3","148","","","","- C66 H70 I2 N36 O16 -","- C66 H70 I2 N36 O16 -","- C594 H630 I18 N324 O144 -","9","0.5","","Jelínková, Kristýna; Surmová, Heda; Matelová, Alena; Rouchal, Michal; Prucková, Zdeňka; Dastychová, Lenka; Nečas, Marek; Vícha, Robert","Cubane Arrives on the Cucurbituril Scene.","Organic letters","2017","19","10","2698","2701","10.1021/acs.orglett.7b01029","","","0.71073","MoKα","","0.0474","0.0359","","","0.0876","0.0935","","","","","","1.026","","","","has coordinates","197353","2020-10-21","18:00:00",""
"1546209","5.4544","0.0001","18.7828","0.0004","14.6592","0.0003","90","","92.914","0.002","90","","1499.88","0.05","120","2","120","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C16 H20 N4 O2 -","- C16 H20 N4 O2 -","- C64 H80 N16 O8 -","4","1","","Jelínková, Kristýna; Surmová, Heda; Matelová, Alena; Rouchal, Michal; Prucková, Zdeňka; Dastychová, Lenka; Nečas, Marek; Vícha, Robert","Cubane Arrives on the Cucurbituril Scene.","Organic letters","2017","19","10","2698","2701","10.1021/acs.orglett.7b01029","","","0.71073","MoKα","","0.0512","0.0416","","","0.1018","0.108","","","","","","1.029","","","","has coordinates","197354","2020-10-21","18:00:00",""
"1546210","9.198","0.006","9.442","0.004","15.292","0.007","90","","104.995","0.01","90","","1282.8","1.2","298","","298","","","","","","","","","3","P 1 c 1","P -2yc","7","","","","- C15 H20 O3 -","- C15 H20 O3 -","- C60 H80 O12 -","4","2","","Liu, Xin; Liu, Junyang; Zhao, Jing; Li, Shaoping; Li, Chuang-Chuang","Toward the Total Synthesis of Eurifoloid A.","Organic letters","2017","19","10","2742","2745","10.1021/acs.orglett.7b01102","","","0.71073","MoKα","","0.0939","0.0733","","","0.1764","0.2425","","","","","","1.241","","","","has coordinates","197355","2020-10-21","18:00:00",""
"1546211","4.4612","0.0002","11.7056","0.0005","13.0331","0.0005","67.332","0.002","89.169","0.002","81.812","0.002","621.02","0.05","296","2","296","2","","","","","","","","4","P -1","-P 1","2","","","","- C16 H12 Br N -","- C16 H12 Br N -","- C32 H24 Br2 N2 -","2","1","","Kumar, Gangam Srikanth; Kumar, Pravin; Kapur, Manmohan","Traceless Directing-Group Strategy in the Ru-Catalyzed, Formal [3 + 3] Annulation of Anilines with Allyl Alcohols: A One-Pot, Domino Approach for the Synthesis of Quinolines.","Organic letters","2017","19","10","2494","2497","10.1021/acs.orglett.7b00715","","","0.71073","MoKα","","0.0187","0.0176","","","0.0471","0.0476","","","","","","1.02","","","","has coordinates","197356","2020-10-21","18:00:00",""
"1546212","8.0393","0.0002","8.6325","0.0003","13.2604","0.0004","90","","90.9524","0.0018","90","","920.13","0.05","93","","93","","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C21 H23 N3 O3 -","- C21 H23 N3 O3 -","- C42 H46 N6 O6 -","2","1","","Tooriyama, Shino; Mimori, Yuji; Wu, Yuqiu; Kogure, Noriyuki; Kitajima, Mariko; Takayama, Hiromitsu","Asymmetric Total Synthesis of Pentacyclic Indole Alkaloid Andranginine and Absolute Configuration of Natural Product Isolated from Kopsia arborea.","Organic letters","2017","19","10","2722","2725","10.1021/acs.orglett.7b01076","","","1.54187","CuKα","","0.0671","0.0441","","","0.109","0.1316","","","","","","1.056","","","","has coordinates","197357","2020-10-21","18:00:00",""
"1546213","10.0435","0.0012","10.7709","0.0014","24.399","0.003","90","","90","","90","","2639.4","0.6","100","","99.99","","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C25 H29 Br N2 O6 -","- C25 H29 Br N2 O6 -","- C100 H116 Br4 N8 O24 -","4","1","","Möller, Guido P; Müller, Steffen; Wolfstädter, Bernd T; Wolfrum, Susanne; Schepmann, Dirk; Wünsch, Bernhard; Carreira, Erick M.","Oxetanyl Amino Acids for Peptidomimetics.","Organic letters","2017","19","10","2510","2513","10.1021/acs.orglett.7b00745","","x-ray","0.71073","MoKα","K-L~3~","0.0896","0.0476","","","0.0825","0.093","","","","","","0.951","","","","has coordinates,has disorder","197358","2020-10-21","18:00:00",""
"1546214","9.6689","0.0005","13.7338","0.0007","17.9303","0.0011","90","","90","","90","","2381","0.2","100","2","100","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C24 H30 Br N3 O5 -","- C24 H30 Br N3 O5 -","- C96 H120 Br4 N12 O20 -","4","1","","Möller, Guido P; Müller, Steffen; Wolfstädter, Bernd T; Wolfrum, Susanne; Schepmann, Dirk; Wünsch, Bernhard; Carreira, Erick M.","Oxetanyl Amino Acids for Peptidomimetics.","Organic letters","2017","19","10","2510","2513","10.1021/acs.orglett.7b00745","","","0.71073","MoKα","","0.0229","0.0202","","","0.0457","0.0463","","","","","","1.01","","","","has coordinates","197359","2020-10-21","18:00:00",""
"1546215","25.771","0.003","6.8258","0.0008","7.1894","0.0005","90","","90","","90","","1264.7","0.2","293","2","293.15","","","","","","","","","4","P n m a","-P 2ac 2n","62","","","","- C14 H15 N O3 -","- C14 H15 N O3 -","- C56 H60 N4 O12 -","4","0.5","","Lv, Ningning; Chen, Zhengkai; Liu, Yue; Liu, Zhanxiang; Zhang, Yuhong","Synthesis of Functionalized Indenones via Rh-Catalyzed C-H Activation Cascade Reaction.","Organic letters","2017","19","10","2588","2591","10.1021/acs.orglett.7b00906","","","0.71073","MoKα","","0.066","0.045","","","0.11","0.1235","","","","","","1.038","","","","has coordinates","197360","2020-10-21","18:00:00",""
"1546216","18.3137","0.0012","12.486","0.0007","4.8092","0.0004","90","","90","","90","","1099.7","0.13","175.3","","175.3","","","","","","","","","5","P n a 21","P 2c -2n","33","","","","- C12 H8 F3 N O3 -","- C12 H8 F3 N O3 -","- C48 H32 F12 N4 O12 -","4","1","","Lv, Ningning; Chen, Zhengkai; Liu, Yue; Liu, Zhanxiang; Zhang, Yuhong","Synthesis of Functionalized Indenones via Rh-Catalyzed C-H Activation Cascade Reaction.","Organic letters","2017","19","10","2588","2591","10.1021/acs.orglett.7b00906","","","0.7107","MoKα","","0.0586","0.0474","","","0.1092","0.1178","","","","","","1.056","","","","has coordinates","197361","2020-10-21","18:00:00",""
"1546217","6.2656","0.0005","15.4462","0.0011","8.1799","0.0006","90","","94.209","0.003","90","","789.51","0.1","205","","205","","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C21 H15 F O2 -","- C21 H15 F O2 -","- C42 H30 F2 O4 -","2","1","","Zhang, Zong-Feng; Zhu, Dong-Xing; Chen, Wen-Wen; Xu, Bin; Xu, Ming-Hua","Enantioselective Synthesis of gem-Diaryl Benzofuran-3(2H)-ones via One-Pot Asymmetric Rhodium/Palladium Relay Catalysis.","Organic letters","2017","19","10","2726","2729","10.1021/acs.orglett.7b01070","","","1.54178","CuKα","","0.0311","0.0306","","","0.0828","0.0835","","","","","","1.037","","","","has coordinates","197362","2020-10-21","18:00:00",""
"1546218","21.6276","0.0014","21.6276","0.0014","8.1936","0.0006","90","","90","","90","","3832.6","0.4","100","2","100","2","","","","","","","","4","P -4 21 c","P -4 2n","114","","","","- C23 H15 N3 O2 -","- C23 H15 N3 O2 -","- C184 H120 N24 O16 -","8","1","","Barve, Indrajeet J.; Thikekar, Tushar Ulhas; Sun, Chung-Ming","Silver(I)-Catalyzed Regioselective Synthesis of Triazole Fused-1,5-Benzoxazocinones.","Organic letters","2017","19","9","2370","2373","10.1021/acs.orglett.7b00907","","","0.71073","MoKα","","0.1274","0.0981","","","0.2457","0.2641","","","","","","1.053","","","","has coordinates","197363","2020-10-21","18:00:00",""
"1546219","10.77","0.005","15.109","0.007","17.72","0.007","90","","90","","90","","2883","2","113","2","113","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C28 H41 N O11 -","- C28 H41 N O11 -","- C112 H164 N4 O44 -","4","1","","Ma, Guo-Zhen; Li, Peng-Fei; Liu, Lu; Li, Wei-Dong Z; Chen, Li","Diastereoselective Synthesis of Cephalotaxus Esters via Asymmetric Mukaiyama Aldol Reaction.","Organic letters","2017","19","9","2250","2253","10.1021/acs.orglett.7b00743","","","0.7107","MoKα","","0.0626","0.0547","","","0.1189","0.1225","","","","","","1.133","","","","has coordinates","197364","2020-10-21","18:00:00",""
"1546220","7.784","0.0002","9.7886","0.0003","14.7958","0.0005","90","","90","","90","","1127.36","0.06","173","","173","","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C11 H19 N O3 -","- C11 H19 N O3 -","- C44 H76 N4 O12 -","4","1","","Sekita, Hiroko; Adachi, Kyohei; Kobayashi, Ippei; Sato, Yusuke; Nakada, Masahisa","Enantio- and Stereoselective Construction of Atisane Scaffold via Organocatalytic Intramolecular Michael Reaction and Diels-Alder Reaction.","Organic letters","2017","19","9","2390","2393","10.1021/acs.orglett.7b00918","","","1.54187","CuKα","","0.0508","0.0477","","","0.1197","0.1262","","","","","","1.085","","","","has coordinates","197365","2020-10-21","18:00:00",""
"1546221","10.5792","0.0007","12.2534","0.0009","20.4903","0.0016","90","","90","","90","","2656.2","0.3","300","2","300","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C27 H36 Br N O2 -","- C27 H36 Br N O2 -","- C108 H144 Br4 N4 O8 -","4","1","","Roiser, Lukas; Waser, Mario","Enantioselective Spirocyclopropanation of para-Quinone Methides Using Ammonium Ylides.","Organic letters","2017","19","9","2338","2341","10.1021/acs.orglett.7b00869","","","0.71073","MoKα","","0.0465","0.0363","","","0.0904","0.0953","","","","","","1.049","","","","has coordinates","197366","2020-10-21","18:00:00",""
"1546222","9.4386","0.0011","11.6291","0.0013","14.6798","0.0017","90","","93.296","0.003","90","","1608.6","0.3","293","2","293","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C20 H17 Br O -","- C20 H17 Br O -","- C80 H68 Br4 O4 -","4","2","","Yuan, Xiaoqian; Dong, Shupeng; Liu, Zhen; Wu, Guibing; Zou, Chuncheng; Ye, Jinxing","Enantioselective Michael Addition of Photogenerated o-Quinodimethanes to Enones Catalyzed by Chiral Amino Acid Esters.","Organic letters","2017","19","9","2322","2325","10.1021/acs.orglett.7b00862","","","0.71073","MoKα","","0.0885","0.0458","","","0.0861","0.1008","","","","","","0.964","","","","has coordinates,has disorder","197367","2020-10-21","18:00:00",""
"1546223","10.6637","0.0014","10.7733","0.0014","18.111","0.003","90","","90","","90","","2080.7","0.5","293","2","293","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C26 H20 Cl2 O -","- C26 H20 Cl2 O -","- C104 H80 Cl8 O4 -","4","1","","Yuan, Xiaoqian; Dong, Shupeng; Liu, Zhen; Wu, Guibing; Zou, Chuncheng; Ye, Jinxing","Enantioselective Michael Addition of Photogenerated o-Quinodimethanes to Enones Catalyzed by Chiral Amino Acid Esters.","Organic letters","2017","19","9","2322","2325","10.1021/acs.orglett.7b00862","","","0.71073","MoKα","","0.0497","0.0417","","","0.0998","0.1047","","","","","","1.036","","","","has coordinates","197368","2020-10-21","18:00:00",""
"1546224","9.717","0.008","11.448","0.008","10.196","0.008","90","","112.48","0.006","90","","1048","1.4","173","","173","","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C25 H23 N O2 S -","- C25 H23 N O2 S -","- C50 H46 N2 O4 S2 -","2","1","","Najib, Atifah; Hirano, Koji; Miura, Masahiro","Palladium-Catalyzed Asymmetric Benzylic Substitution of Secondary Benzyl Carbonates with Nitrogen and Oxygen Nucleophiles.","Organic letters","2017","19","9","2438","2441","10.1021/acs.orglett.7b01022","","","0.71075","MoKα","","0.0378","0.0351","","","0.0855","0.0877","","","","","","1.041","","","","has coordinates","197369","2020-10-21","18:00:00",""
"1546225","19.884","0.002","8.5199","0.0008","15.7656","0.0016","90","","99.117","0.007","90","","2637.1","0.5","90","0.5","90","0.5","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C29 H38 N2 O2 S -","- C29 H38 N2 O2 S -","- C116 H152 N8 O8 S4 -","4","1","","Saputra, Mirza A.; Dange, Nitin S.; Cleveland, Alexander H.; Malone, Joshua A.; Fronczek, Frank R.; Kartika, Rendy","Regioselective Functionalization of Enamides at the α-Carbon via Unsymmetrical 2-Amidoallyl Cations.","Organic letters","2017","19","9","2414","2417","10.1021/acs.orglett.7b00962","","","0.71073","MoKα","","0.0823","0.0447","","","0.0954","0.1099","","","","","","1.018","","","","has coordinates","197370","2020-10-21","18:00:00",""
"1546226","13.1459","0.0006","11.374","0.0006","15.2985","0.0007","90","","92.322","0.004","90","","2285.58","0.19","90","0.5","90","0.5","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C27 H26 N2 O2 S -","- C27 H26 N2 O2 S -","- C108 H104 N8 O8 S4 -","4","1","","Saputra, Mirza A.; Dange, Nitin S.; Cleveland, Alexander H.; Malone, Joshua A.; Fronczek, Frank R.; Kartika, Rendy","Regioselective Functionalization of Enamides at the α-Carbon via Unsymmetrical 2-Amidoallyl Cations.","Organic letters","2017","19","9","2414","2417","10.1021/acs.orglett.7b00962","","","0.71073","MoKα","","0.0919","0.0498","","","0.1016","0.1164","","","","","","1.014","","","","has coordinates","197371","2020-10-21","18:00:00",""
"1546227","9.2471","0.0009","10.0565","0.0009","12.1074","0.0011","83.941","0.005","76.636","0.005","83.733","0.005","1085.11","0.18","90","0.5","90","0.5","","","","","","","","5","P -1","-P 1","2","","","","- C25 H31 N O3 S -","- C25 H31 N O3 S -","- C50 H62 N2 O6 S2 -","2","1","","Saputra, Mirza A.; Dange, Nitin S.; Cleveland, Alexander H.; Malone, Joshua A.; Fronczek, Frank R.; Kartika, Rendy","Regioselective Functionalization of Enamides at the α-Carbon via Unsymmetrical 2-Amidoallyl Cations.","Organic letters","2017","19","9","2414","2417","10.1021/acs.orglett.7b00962","","","0.71073","MoKα","","0.0471","0.0379","","","0.1016","0.1085","","","","","","1.051","","","","has coordinates","197372","2020-10-21","18:00:00",""
"1546228","20.5163","0.001","16.682","0.0008","7.9278","0.0004","90","","90","","90","","2713.3","0.2","90","0.5","90","0.5","","","","","","","","6","P n a 21","P 2c -2n","33","","","","- C29 H30 Cl2 N2 O3 S -","- C29 H30 Cl2 N2 O3 S -","- C116 H120 Cl8 N8 O12 S4 -","4","1","","Saputra, Mirza A.; Dange, Nitin S.; Cleveland, Alexander H.; Malone, Joshua A.; Fronczek, Frank R.; Kartika, Rendy","Regioselective Functionalization of Enamides at the α-Carbon via Unsymmetrical 2-Amidoallyl Cations.","Organic letters","2017","19","9","2414","2417","10.1021/acs.orglett.7b00962","","","0.71073","MoKα","","0.039","0.034","","","0.0841","0.0876","","","","","","1.038","","","","has coordinates","197373","2020-10-21","18:00:00",""
"1546229","12.3798","0.0008","23.4215","0.0016","8.3687","0.0006","90","","109.349","0.002","90","","2289.5","0.3","90","0.5","90","0.2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C27 H27 N O3 S -","- C27 H27 N O3 S -","- C108 H108 N4 O12 S4 -","4","1","","Saputra, Mirza A.; Dange, Nitin S.; Cleveland, Alexander H.; Malone, Joshua A.; Fronczek, Frank R.; Kartika, Rendy","Regioselective Functionalization of Enamides at the α-Carbon via Unsymmetrical 2-Amidoallyl Cations.","Organic letters","2017","19","9","2414","2417","10.1021/acs.orglett.7b00962","","","0.71073","MoKα","","0.0502","0.0367","","","0.0881","0.0966","","","","","","1.039","","","","has coordinates","197374","2020-10-21","18:00:00",""
"1546230","5.9068","0.0003","13.7441","0.0007","14.5687","0.0008","109.313","0.004","100.073","0.004","97.026","0.004","1078.12","0.11","296","2","296.15","","","","","","","","","5","P -1","-P 1","2","","","","- C25 H27 N O2 S -","- C25 H27 N O2 S -","- C50 H54 N2 O4 S2 -","2","1","","Maiti, Saikat; Mal, Prasenjit","Dehydrogenative Aromatic Ring Fusion for Carbazole Synthesis via C-C/C-N Bond Formation and Alkyl Migration.","Organic letters","2017","19","9","2454","2457","10.1021/acs.orglett.7b01117","","","0.71073","MoKα","","0.0558","0.0433","","","0.1106","0.1185","","","","","","1.031","","","","has coordinates","197375","2020-10-21","18:00:00",""
"1546231","9.9922","0.0018","19.11","0.004","21.951","0.004","89.352","0.002","86.158","0.002","85.402","0.002","4168.6","1.4","296","2","296","2","","","","","","","","4","P -1","-P 1","2","","","","- C34 H28 N2 O2 -","- C34 H28 N2 O2 -","- C204 H168 N12 O12 -","6","3","","Zheng, Jiuan; Li, Panpan; Gu, Meng; Lin, Aijun; Yao, Hequan","Synthesis of Spiropentadiene Pyrazolones by Rh(III)-Catalyzed Formal sp(3) C-H Activation/Annulation.","Organic letters","2017","19","11","2829","2832","10.1021/acs.orglett.7b00930","","","0.71073","MoKα","","0.0875","0.0571","","","0.2088","0.236","","","","","","1.081","","","","has coordinates","197376","2020-10-21","18:00:00",""
"1546232","10.4652","0.0012","10.8048","0.0011","17.209","0.002","90","","105.635","0.003","90","","1873.9","0.4","296","2","296","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C24 H14 F3 N O -","- C24 H14 F3 N O -","- C96 H56 F12 N4 O4 -","4","1","","Xiang, Jia-Chen; Cheng, Yan; Wang, Zi-Xuan; Ma, Jin-Tian; Wang, Miao; Tang, Bo-Cheng; Wu, Yan-Dong; Wu, An-Xin","Oxidative Trimerization of Amino Acids: Selective Synthesis of 2,3,5-Trisubstituted Pyridines.","Organic letters","2017","19","11","2997","3000","10.1021/acs.orglett.7b01232","","","0.71073","MoKα","","0.0944","0.0497","","","0.128","0.1571","","","","","","1.007","","","","has coordinates","197377","2020-10-21","18:00:00",""
"1546233","10.6016","0.0003","6.4032","0.0002","27.3243","0.0009","90","","91.4282","0.0016","90","","1854.31","0.1","200","2","200","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C20 H20 F3 N O4 -","- C20 H20 F3 N O4 -","- C80 H80 F12 N4 O16 -","4","1","","Gietter-Burch, Amber A S; Devannah, Vijayarajan; Watson, Donald A.","Trifluoromethylation of Secondary Nitroalkanes.","Organic letters","2017","19","11","2957","2960","10.1021/acs.orglett.7b01196","","","1.54178","CuKα","","0.052","0.0471","","","0.1387","0.1433","","","","","","1.053","","","","has coordinates","197378","2020-10-21","18:00:00",""
"1546234","7.3583","0.0003","8.6653","0.0003","15.7812","0.0005","94.049","0.003","95.948","0.003","105.631","0.003","958.7","0.06","100","2","100","2","","","","","","","","4","P -1","-P 1","2","","","","- C22 H20 N4 O5 -","- C22 H20 N4 O5 -","- C44 H40 N8 O10 -","2","1","","Xie, Jiaxin; Wang, Jianchun; Dong, Guangbin","Synthetic Study of Phainanoids. Highly Diastereoselective Construction of the 4,5-Spirocycle via Palladium-Catalyzed Intramolecular Alkenylation.","Organic letters","2017","19","11","3017","3020","10.1021/acs.orglett.7b01303","","","1.54184","CuKα","","0.0406","0.0381","","","0.0986","0.1012","","","","","","1.055","","","","has coordinates","197379","2020-10-21","18:00:00",""
"1546235","11.9761","0.001","12.0471","0.0008","17.418","0.0013","90","","98.702","0.007","90","","2484.1","0.3","170","2","170","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C26 H25 N3 O6 S2 -","- C26 H25 N3 O6 S2 -","- C104 H100 N12 O24 S8 -","4","1","","Wu, Zhengxing; Wen, Ke; Zhang, Jingang; Zhang, Wanbin","Pd(II)-Catalyzed Aerobic Intermolecular 1,2-Diamination of Conjugated Dienes: A Regio- and Chemoselective [4 + 2] Annulation for the Synthesis of Tetrahydroquinoxalines.","Organic letters","2017","19","11","2813","2816","10.1021/acs.orglett.7b00919","","","0.71073","MoKα","","0.0578","0.0393","","","0.0836","0.0936","","","","","","1.035","","","","has coordinates","197380","2020-10-21","18:00:00",""
"1546236","7.58618","0.00009","16.9757","0.0002","15.6843","0.0002","90","","93.0656","0.0011","90","","2016.94","0.04","294.39","0.1","294.39","0.1","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C22 H24 Cl N2 O Rh -","- C22 H24 Cl N2 O Rh -","- C88 H96 Cl4 N8 O4 Rh4 -","4","1","","Long, Zhen; Wang, Zhigang; Zhou, Danni; Wan, Danyang; You, Jingsong","Rh(III)-Catalyzed Regio- and Chemoselective [4 + 1]-Annulation of Azoxy Compounds with Diazoesters for the Synthesis of 2H-Indazoles: Roles of the Azoxy Oxygen Atom.","Organic letters","2017","19","11","2777","2780","10.1021/acs.orglett.7b00631","","x-ray","1.54184","CuKα","","0.0553","0.0511","","","0.1379","0.1441","","","","","","1.036","","","","has coordinates","197381","2020-10-21","18:00:00",""
"1546237","14.8441","0.0002","10.42006","0.00018","14.7439","0.0003","90","","90","","90","","2280.53","0.07","294.4","0.1","294.4","0.1","","","","","","","","4","P c a 21","P 2c -2ac","29","","","","- C28 H25 N O4 -","- C28 H25 N O4 -","- C112 H100 N4 O16 -","4","1","","Ma, Xiao-Yan; An, Xian-Tao; Zhao, Xian-He; Du, Ji-Yuan; Deng, Yu-Hua; Zhang, Xiang-Zhi; Fan, Chun-An","Au-Catalyzed [2 + 3] Annulation of Enamides with Propargyl Esters: Total Synthesis of Cephalotaxine and Cephalezomine H.","Organic letters","2017","19","11","2965","2968","10.1021/acs.orglett.7b01202","","","1.54184","CuKα","","0.0417","0.0404","","","0.1066","0.1089","","","","","","1.055","","","","has coordinates","197382","2020-10-21","18:00:00",""
"1546238","8.1791","0.0006","8.4632","0.0004","11.3125","0.0009","70.672","0.006","84.194","0.007","80.842","0.005","728.52","0.09","292.5","0.2","292.5","0.2","","","","","","","","4","P -1","-P 1","2","","","","- C17 H19 N O5 -","- C17 H19 N O5 -","- C34 H38 N2 O10 -","2","1","","Ma, Xiao-Yan; An, Xian-Tao; Zhao, Xian-He; Du, Ji-Yuan; Deng, Yu-Hua; Zhang, Xiang-Zhi; Fan, Chun-An","Au-Catalyzed [2 + 3] Annulation of Enamides with Propargyl Esters: Total Synthesis of Cephalotaxine and Cephalezomine H.","Organic letters","2017","19","11","2965","2968","10.1021/acs.orglett.7b01202","","","0.71073","MoKα","","0.0626","0.0462","","","0.103","0.1147","","","","","","1.067","","","","has coordinates","197383","2020-10-21","18:00:00",""
"1546239","18.6655","0.0011","18.6655","0.0011","8.1126","0.0005","90","","90","","120","","2447.8","0.3","195","2","195","2","","","","","","","","3","P 3 1 c","P 3 -2c","159","","","","- C21 H20 N2 -","- C21 H20 N2 -","- C126 H120 N12 -","6","1","","Zhu, Zhengbo; Seidel, Daniel","Acetic Acid Promoted Redox Annulations with Dual C-H Functionalization.","Organic letters","2017","19","11","2841","2844","10.1021/acs.orglett.7b01047","","","0.71073","MoKα","","0.0516","0.0449","","","0.0995","0.1035","","","","","","1.043","","","","has coordinates","197384","2020-10-21","18:00:00",""
"1546240","6.4987","0.0003","6.9114","0.0003","41.4349","0.0019","90","","90","","90","","1861.05","0.15","100","2","100","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C19 H25 O8 -","- C19 H25 O8 -","- C76 H100 O32 -","4","1","","Nur-E-Alam, Mohammad; Yousaf, Muhammad; Ahmed, Sarfaraz; Al-Sheddi, Ebtesam S; Parveen, Ifat; Fazakerley, David M.; Bari, Ahmed; Ghabbour, Hazem A.; Threadgill, Michael D.; Whatley, Kezia C. L.; Hoffmann, Karl F.; Al-Rehaily, Adnan J","Neoclerodane Diterpenoids from Reehal Fatima, Teucrium yemense.","Journal of natural products","2017","80","6","1900","1908","10.1021/acs.jnatprod.7b00188","","","1.54178","CuKα","","0.0427","0.0408","","","0.1091","0.1102","","","","","","1.046","","","","has coordinates","198419","2020-10-21","18:00:00",""
"1546241","9.5081","0.0013","13.6271","0.0019","14.3689","0.0019","105.485","0.007","106.87","0.007","99.403","0.008","1657.4","0.4","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","","","- C41 H34 F3 N3 O2 -","- C41 H34 F3 N3 O2 -","- C82 H68 F6 N6 O4 -","2","1","","Ye, Tzuen-Yang; Selvaraju, Manikandan; Sun, Chung-Ming","Cascade Synthesis of Benzimidazole-Linked Pyrroles via Copper Catalyzed Oxidative Cyclization and Ketonization.","Organic letters","2017","19","12","3103","3106","10.1021/acs.orglett.7b01224","","","0.71073","MoKα","","0.0665","0.0483","","","0.1265","0.1394","","","","","","1.074","","","","has coordinates,has disorder","198438","2020-10-21","18:00:00",""
"1546242","9.4864","0.0011","9.9158","0.0011","15.8741","0.0018","82.816","0.003","79.911","0.002","71.445","0.003","1389.8","0.3","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","","","- C33 H27 N3 O4 S -","- C33 H27 N3 O4 S -","- C66 H54 N6 O8 S2 -","2","1","","Ye, Tzuen-Yang; Selvaraju, Manikandan; Sun, Chung-Ming","Cascade Synthesis of Benzimidazole-Linked Pyrroles via Copper Catalyzed Oxidative Cyclization and Ketonization.","Organic letters","2017","19","12","3103","3106","10.1021/acs.orglett.7b01224","","","0.71073","MoKα","","0.0494","0.0407","","","0.1038","0.1104","","","","","","1.04","","","","has coordinates","198438","2020-10-21","18:00:00",""
"1546243","16.975","0.008","15.547","0.006","24.68","0.012","90","","101.91","0.03","90","","6373","5","150","2","150","2","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C61.5 H59 Al Cl8 N4 Ni -","- C61.5 H59 Al Cl8 N4 Ni -","- C246 H236 Al4 Cl32 N16 Ni4 -","4","2","","Gomes, Pedro T.; Gomes, Clara S. B.; Ribeiro, Alejandro F. G.; Fernandes, Anabela C.; Bento, Artur; do Rosário Ribeiro, Maria; Pascu, Sofia I.; Kociok-Kohn, Gabriele; Duarte, Maria Teresa Teresa","Reactivity of cationic α-diimine cyclopentadienyl nickel complexes towards AlEt2Cl: Synthesis, characterisation and ethylene polymerisation","Catal. Sci. Technol.","2017","","","","","10.1039/C7CY00875A","","x-ray","0.71073","MoKα","","0.1465","0.0768","","","0.182","0.2091","","","","","","0.924","","","","has coordinates","214153","2020-10-21","18:00:00",""
"1546244","14.507","0.003","16.966","0.003","19.647","0.004","112.115","0.009","101.465","0.01","100.432","0.011","4212.5","1.5","150","2","150","2","","","","","","","","6","P -1","-P 1","2","","","","- C90 H84 Al Cl9 N6 Ni3 -","- C90 H84 Al Cl9 N6 Ni3 -","- C180 H168 Al2 Cl18 N12 Ni6 -","2","1","","Gomes, Pedro T.; Gomes, Clara S. B.; Ribeiro, Alejandro F. G.; Fernandes, Anabela C.; Bento, Artur; do Rosário Ribeiro, Maria; Pascu, Sofia I.; Kociok-Kohn, Gabriele; Duarte, Maria Teresa Teresa","Reactivity of cationic α-diimine cyclopentadienyl nickel complexes towards AlEt2Cl: Synthesis, characterisation and ethylene polymerisation","Catal. Sci. Technol.","2017","","","","","10.1039/C7CY00875A","","x-ray","0.71073","MoKα","","0.1394","0.0621","","","0.155","0.2102","","","","","","0.978","","","","has coordinates,has disorder","197539","2020-10-21","18:00:00",""
"1546245","12.652","0.0001","23.843","0.0001","12.739","0.0002","90","","100.858","0.001","90","","3774.07","0.07","150","2","150","2","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C34.25 H41.5 Al Cl4.75 N2 Ni -","- C34.25 H41.5 Al Cl4.75 N2 Ni -","- C137 H166 Al4 Cl19 N8 Ni4 -","4","2","","Gomes, Pedro T.; Gomes, Clara S. B.; Ribeiro, Alejandro F. G.; Fernandes, Anabela C.; Bento, Artur; do Rosário Ribeiro, Maria; Pascu, Sofia I.; Kociok-Kohn, Gabriele; Duarte, Maria Teresa Teresa","Reactivity of cationic α-diimine cyclopentadienyl nickel complexes towards AlEt2Cl: Synthesis, characterisation and ethylene polymerisation","Catal. Sci. Technol.","2017","","","","","10.1039/C7CY00875A","","x-ray","0.6771","synchrotron","","0.0899","0.0635","","","0.1657","0.1841","","","","","","1.033","","","","has coordinates,has disorder","197539","2020-10-21","18:00:00",""
"1546246","92.6284","0.0008","24.32104","0.00017","13.71515","0.00011","90","","90","","90","","30897.8","0.4","100.01","0.1","100.01","0.1","","","","","","","","7","F d d 2","F 2 -2d","43","","","","- C123 H254 K2 N2 O32 Si8 U2 -","- C123 H254 K2 N2 O32 Si8 U2 -","- C984 H2032 K16 N16 O256 Si64 U16 -","8","0.5","","Kelly, Rory P.; Falcone, Marta; Lamsfus, Carlos Alvarez; Scopelliti, Rosario; Maron, Laurent; Meyer, Karsten; Mazzanti, Marinella","Metathesis of a UV imido complex: a route to a terminal UV sulfide","Chem. Sci.","2017","","","","","10.1039/C7SC01111C","","x-ray","1.54184","CuKα","","0.0255","0.0252","","","0.0639","0.0642","","","","","","1.034","","","","has coordinates,has disorder","197542","2020-10-21","18:00:00",""
"1546247","25.92909","0.00016","26.18261","0.00018","26.16679","0.00016","90","","90","","90","","17764.4","0.2","100.01","0.1","100.01","0.1","","","","","","","","7","P 21 21 21","P 2ac 2ab","19","","","","- C66 H144 K N2 O22 Si4 U -","- C66 H144 K N2 O22 Si4 U -","- C528 H1152 K8 N16 O176 Si32 U8 -","8","2","","Kelly, Rory P.; Falcone, Marta; Lamsfus, Carlos Alvarez; Scopelliti, Rosario; Maron, Laurent; Meyer, Karsten; Mazzanti, Marinella","Metathesis of a UV imido complex: a route to a terminal UV sulfide","Chem. Sci.","2017","","","","","10.1039/C7SC01111C","","x-ray","1.54184","CuKα","","0.0312","0.0301","","","0.0677","0.0683","","","","","","1.096","","","","has coordinates","197542","2020-10-21","18:00:00",""
"1546248","14.4445","0.0004","14.4565","0.0006","47.0418","0.0018","82.352","0.003","84.245","0.003","78.583","0.003","9515.4","0.6","100.01","0.1","100.01","0.1","","","","","","","","8","P -1","-P 1","2","","","","- C73 H152 K N2 O22 S Si4 U -","- C73 H152 K N2 O22 S Si4 U -","- C292 H608 K4 N8 O88 S4 Si16 U4 -","4","2","","Kelly, Rory P.; Falcone, Marta; Lamsfus, Carlos Alvarez; Scopelliti, Rosario; Maron, Laurent; Meyer, Karsten; Mazzanti, Marinella","Metathesis of a UV imido complex: a route to a terminal UV sulfide","Chem. Sci.","2017","","","","","10.1039/C7SC01111C","","x-ray","1.54184","CuKα","","0.0931","0.0906","","","0.2307","0.232","","","","","","1.093","","","","has coordinates,has disorder","197542","2020-10-21","18:00:00",""
"1546249","19.133","0.002","9.457","0.0007","22.775","0.002","90","","111.465","0.012","90","","3835.1","0.7","100.02","0.11","100.02","0.11","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C26 H48 K2 O12 S6 -","- C26 H48 K2 O12 S6 -","- C104 H192 K8 O48 S24 -","4","1","","Kelly, Rory P.; Falcone, Marta; Lamsfus, Carlos Alvarez; Scopelliti, Rosario; Maron, Laurent; Meyer, Karsten; Mazzanti, Marinella","Metathesis of a UV imido complex: a route to a terminal UV sulfide","Chem. Sci.","2017","","","","","10.1039/C7SC01111C","","x-ray","1.54184","CuKα","","0.1504","0.0829","","","0.209","0.2432","","","","","","0.907","","","","has coordinates,has disorder","197542","2020-10-21","18:00:00",""
"1546250","13.827","0.0003","24.6484","0.0005","14.3945","0.0004","90","","99.042","0.003","90","","4844.9","0.2","140","2","140","0.1","","","","","","","","8","P 1 21 1","P 2yb","4","","","","- C74 H152 K N2 O22 S3 Si4 U -","- C74 H152 K N2 O22 S3 Si4 U -","- C148 H304 K2 N4 O44 S6 Si8 U2 -","2","1","","Kelly, Rory P.; Falcone, Marta; Lamsfus, Carlos Alvarez; Scopelliti, Rosario; Maron, Laurent; Meyer, Karsten; Mazzanti, Marinella","Metathesis of a UV imido complex: a route to a terminal UV sulfide","Chem. Sci.","2017","","","","","10.1039/C7SC01111C","","x-ray","1.54184","CuKα","","0.0722","0.0627","","","0.1516","0.1607","","","","","","1.052","","","","has coordinates","197542","2020-10-21","18:00:00",""
"1546251","11.49295","0.00019","22.2749","0.0004","14.299","0.0002","90","","91.1028","0.0014","90","","3659.93","0.1","150","2","150","2","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C39 H30 Cl6 F2 N P Pt -","- C39 H30 Cl6 F2 N P Pt -","- C156 H120 Cl24 F8 N4 P4 Pt4 -","4","1","","Shaw, Paul Anthony; Clarkson, Guy James; Rourke, Jonathan P.","Reversible C-C bond formation at a triply cyclometallated platinum(IV) centre","Chem. Sci.","2017","","","","","10.1039/C7SC01361B","","x-ray","0.71073","MoKα","","0.0352","0.0255","","","0.049","0.0519","","","","","","1.049","","","","has coordinates","197543","2020-10-21","18:00:00",""
"1546252","12.1213","0.0008","12.1909","0.0007","12.2729","0.0008","68.816","0.006","69.917","0.006","64.636","0.006","1489.24","0.19","150","2","150","2","","","","","","","","6","P -1","-P 1","2","","","","- C38 H30 F2 N P Pt -","- C38 H30 F2 N P Pt -","- C76 H60 F4 N2 P2 Pt2 -","2","1","","Shaw, Paul Anthony; Clarkson, Guy James; Rourke, Jonathan P.","Reversible C-C bond formation at a triply cyclometallated platinum(IV) centre","Chem. Sci.","2017","","","","","10.1039/C7SC01361B","","x-ray","1.54184","CuKα","","0.0303","0.0294","","","0.0762","0.0772","","","","","","1.032","","","","has coordinates","197543","2020-10-21","18:00:00",""
"1546253","11.3911","0.0003","11.7933","0.0004","12.863","0.0003","100.845","0.002","97.595","0.002","117.163","0.003","1462.19","0.09","150","2","150","2","","","","","","","","7","P -1","-P 1","2","","","","- C38 H29 Cl F2 N P Pt -","- C38 H29 Cl F2 N P Pt -","- C76 H58 Cl2 F4 N2 P2 Pt2 -","2","1","","Shaw, Paul Anthony; Clarkson, Guy James; Rourke, Jonathan P.","Reversible C-C bond formation at a triply cyclometallated platinum(IV) centre","Chem. Sci.","2017","","","","","10.1039/C7SC01361B","","x-ray","1.54184","CuKα","","0.0301","0.0257","","","0.06","0.0619","","","","","","1.019","","","","has coordinates","197543","2020-10-21","18:00:00",""
"1546254","23.6952","0.0004","14.2502","0.0003","27.6824","0.0005","90","","103.199","0.0019","90","","9100.3","0.3","100","2","100","2","","","","","","","","8","I 1 2/a 1","-I 2ya","15","","","","- C42 H34 Cl10 F2 N O P Pt -","- C42 H34 Cl10 F2 N O P Pt -","- C336 H272 Cl80 F16 N8 O8 P8 Pt8 -","8","1","","Shaw, Paul Anthony; Clarkson, Guy James; Rourke, Jonathan P.","Reversible C-C bond formation at a triply cyclometallated platinum(IV) centre","Chem. Sci.","2017","","","","","10.1039/C7SC01361B","","x-ray","0.71073","MoKα","","0.0513","0.0404","","","0.0951","0.1033","","","","","","1.039","","","","has coordinates,has disorder","197543","2020-10-21","18:00:00",""
"1546255","14.61871","0.00018","17.9381","0.0003","28.6293","0.0004","90","","98.6391","0.0012","90","","7422.34","0.19","150","2","150","2","","","","","","","","7","I 1 2/a 1","-I 2ya","15","","","","- C40.4 H33.2 Cl4.2 F2 N P Pt -","- C40.4 H33.2 Cl4.2 F2 N P Pt -","- C323.2 H265.6 Cl33.6 F16 N8 P8 Pt8 -","8","1","","Shaw, Paul Anthony; Clarkson, Guy James; Rourke, Jonathan P.","Reversible C-C bond formation at a triply cyclometallated platinum(IV) centre","Chem. Sci.","2017","","","","","10.1039/C7SC01361B","","x-ray","0.71073","MoKα","","0.0646","0.0393","","","0.087","0.0958","","","","","","1.041","","","","has coordinates,has disorder","197543","2020-10-21","18:00:00",""
"1546256","10.06885","0.00009","10.97968","0.00011","17.46056","0.00018","107.638","0.0009","97.2289","0.0009","105.26","0.0008","1729.77","0.03","150","2","150","2","","","","","","","","7","P -1","-P 1","2","","","","- C39 H30 Cl4 F2 N P Pt -","- C39 H30 Cl4 F2 N P Pt -","- C78 H60 Cl8 F4 N2 P2 Pt2 -","2","1","","Shaw, Paul Anthony; Clarkson, Guy James; Rourke, Jonathan P.","Reversible C-C bond formation at a triply cyclometallated platinum(IV) centre","Chem. Sci.","2017","","","","","10.1039/C7SC01361B","","x-ray","1.54184","CuKα","","0.02","0.0198","","","0.0488","0.0489","","","","","","1.041","","","","has coordinates","197543","2020-10-21","18:00:00",""
"1546257","8.51403","0.00011","10.31938","0.00018","18.7511","0.0003","83.1662","0.0013","79.6553","0.0012","76.3618","0.0013","1569.92","0.04","150","2","150","2","","","","","","","","7","P -1","-P 1","2","","","","- C38 H31 Cl F2 N P Pt -","- C38 H31 Cl F2 N P Pt -","- C76 H62 Cl2 F4 N2 P2 Pt2 -","2","1","","Shaw, Paul Anthony; Clarkson, Guy James; Rourke, Jonathan P.","Reversible C-C bond formation at a triply cyclometallated platinum(IV) centre","Chem. Sci.","2017","","","","","10.1039/C7SC01361B","","x-ray","0.71073","MoKα","","0.025","0.021","","","0.0422","0.0435","","","","","","1.017","","","","has coordinates","197543","2020-10-21","18:00:00",""
"1546258","17.6377","0.0002","25.6594","0.0002","43.3649","0.0005","90","","90.376","0.001","90","","19625.4","0.4","100","2","100","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C199 H154 Ag19 Cl10 F18 P6 Sb3 -","- C199 H154 Ag19 Cl10 F18 P6 Sb3 -","- C796 H616 Ag76 Cl40 F72 P24 Sb12 -","4","1","","Yuan, Shang-Fu; Li, Pei; Tang, Qing; Wan, Xian-Kai; Nan, Zi-Ang; Jiang, De-en; Wang, Quan-Ming","Alkynyl-protected silver nanoclusters featuring an anticuboctahedral kernel","Nanoscale","2017","","","","","10.1039/C7NR02687K","","","1.54178","CuKα","","0.1029","0.0848","","","0.2178","0.2337","","","","","","1.055","","","","has coordinates","197555","2020-10-21","18:00:00",""
"1546259","26.6041","0.0002","34.2294","0.0002","57.2156","0.0005","90","","92.508","0.001","90","","52053","0.7","100","0.1","100","0.1","","","","","","","","8","P 1 21/c 1","-P 2ybc","14","","","","- C536 H464 Ag50 Cl4 F36 O40 P12 Sb6 -","- C536 Ag50 Cl4 F36 O40 P12 Sb6 -","- C2144 Ag200 Cl16 F144 O160 P48 Sb24 -","4","1","","Yuan, Shang-Fu; Li, Pei; Tang, Qing; Wan, Xian-Kai; Nan, Zi-Ang; Jiang, De-en; Wang, Quan-Ming","Alkynyl-protected silver nanoclusters featuring an anticuboctahedral kernel","Nanoscale","2017","","","","","10.1039/C7NR02687K","","","1.54178","CuKα","","0.1526","0.1156","","","0.2645","0.284","","","","","","1.017","","","","has coordinates,has disorder","197555","2020-10-21","18:00:00",""
"1546260","11.576","0.005","7.98","0.003","21.461","0.005","90","","119.29","0.02","90","","1729","1.1","123","2","123","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C12 H20 Cl2 N2 O4 Pt -","- C12 H20 Cl2 N2 O4 Pt -","- C48 H80 Cl8 N8 O16 Pt4 -","4","1","","de Carvalho, Nélson R.; Rodrigues, Nathane R.; Macedo, Giulianna E.; Bristot, Ivi J.; Boligon, Aline A.; de Campos, Marli M.; Cunha, Francisco A. B.; Coutinho, Henrique D.; Klamt, Fabio; Merritt, Thomas J. S.; Posser, Thaís; Franco, Jeferson L.","Eugenia uniflora leaf essential oil promotes mitochondrial dysfunction in Drosophila melanogaster through the inhibition of oxidative phosphorylation","Toxicol. Res.","2017","","","","","10.1039/C7TX00072C","","","0.71073","MoKα","","0.0325","0.0308","","","0.0826","0.0853","","","","","","1.097","","","","has coordinates,has disorder","197561","2020-10-21","18:00:00",""
"1546261","28.685","0.015","6.783","0.003","13.975","0.007","90","","94.175","0.007","90","","2712","2","110","","110","","","","","","","","","4","C 1 2/c 1","-C 2yc","15","4(N,N-Dimethylamino)pyridinium 3-Nitrobenzoate","","","- C14 H15 N3 O4 -","- C14 H15 N3 O4 -","- C112 H120 N24 O32 -","8","1","","Rajput, Lalit; Banik, Manas; Yarava, Jayasubba Reddy; Joseph, Sumy; Pandey, Manoj Kumar; Nishiyama, Yusuke; Desiraju, Gautam R.","Exploring the salt‒cocrystal continuum with solid-state NMR using natural-abundance samples: implications for crystal engineering","IUCrJ","2017","4","4","","","10.1107/S205225251700687X","","","0.71073","MoKα","","0.0403","0.0383","","","0.1097","0.1119","","","","","","1.099","","","","has coordinates","197562","2020-10-21","18:00:00",""
"1546262","28.86","0.02","6.791","0.005","14.243","0.01","90","","95.4097","0.001","90","","2779","3","298","","298","","","","","","","","","4","C 1 2/c 1","-C 2yc","15","4(N,N-Dimethylamino)pyridinium 3-Nitrobenzoate","","","- C14 H15 N3 O4 -","- C14 H15 N3 O4 -","- C112 H120 N24 O32 -","8","1","","Rajput, Lalit; Banik, Manas; Yarava, Jayasubba Reddy; Joseph, Sumy; Pandey, Manoj Kumar; Nishiyama, Yusuke; Desiraju, Gautam R.","Exploring the salt‒cocrystal continuum with solid-state NMR using natural-abundance samples: implications for crystal engineering","IUCrJ","2017","4","4","","","10.1107/S205225251700687X","","","0.71073","MoKα","","0.0564","0.0498","","","0.1347","0.1414","","","","","","1.081","","","","has coordinates","197562","2020-10-21","18:00:00",""
"1546263","8.439","0.006","14.091","0.009","12.167","0.008","90","","95.5","0.011","90","","1440.2","1.7","110","","110","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","4-Ethylpyridinium 3,5-Dinitrobenzoate","","","- C14 H13 N3 O6 -","- C14 H13 N3 O6 -","- C56 H52 N12 O24 -","4","1","","Rajput, Lalit; Banik, Manas; Yarava, Jayasubba Reddy; Joseph, Sumy; Pandey, Manoj Kumar; Nishiyama, Yusuke; Desiraju, Gautam R.","Exploring the salt‒cocrystal continuum with solid-state NMR using natural-abundance samples: implications for crystal engineering","IUCrJ","2017","4","4","","","10.1107/S205225251700687X","","","0.71073","MoKα","","0.0426","0.04","","","0.1134","0.1248","","","","","","1.143","","","","has coordinates","197562","2020-10-21","18:00:00",""
"1546264","8.574","0.009","14.346","0.015","12.19","0.013","90","","94.44","0.013","90","","1495","3","298","","298","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","4-Ethylpyridinium 3,5-Dinitrobenzoate","","","- C14 H13 N3 O6 -","- C14 H13 N3 O6 -","- C56 H52 N12 O24 -","4","1","","Rajput, Lalit; Banik, Manas; Yarava, Jayasubba Reddy; Joseph, Sumy; Pandey, Manoj Kumar; Nishiyama, Yusuke; Desiraju, Gautam R.","Exploring the salt‒cocrystal continuum with solid-state NMR using natural-abundance samples: implications for crystal engineering","IUCrJ","2017","4","4","","","10.1107/S205225251700687X","","","0.71073","MoKα","","0.0626","0.0555","","","0.1606","0.1737","","","","","","1.135","","","","has coordinates","197562","2020-10-21","18:00:00",""
"1546265","6.631","0.005","7.032","0.006","14.216","0.012","87.967","0.017","88.58","0.03","80.207","0.018","652.7","0.9","110","","110","","","","","","","","","4","P -1","-P 1","2","3-Ethylpyridine 4-Nitrobenzoic acid","","","- C14 H14 N2 O4 -","- C14 H14 N2 O4 -","- C28 H28 N4 O8 -","2","1","","Rajput, Lalit; Banik, Manas; Yarava, Jayasubba Reddy; Joseph, Sumy; Pandey, Manoj Kumar; Nishiyama, Yusuke; Desiraju, Gautam R.","Exploring the salt‒cocrystal continuum with solid-state NMR using natural-abundance samples: implications for crystal engineering","IUCrJ","2017","4","4","","","10.1107/S205225251700687X","","","0.71073","MoKα","","0.0477","0.0427","","","0.1203","0.1338","","","","","","1.105","","","","has coordinates","197562","2020-10-21","18:00:00",""
"1546266","6.7302","0.0016","7.1859","0.0017","14.298","0.003","88.158","0.006","88.34","0.006","78.636","0.005","677.4","0.3","298","","298","","","","","","","","","4","P -1","-P 1","2","3-Ethylpyridine 4-Nitrobenzoic acid","","","- C14 H14 N2 O4 -","- C14 H14 N2 O4 -","- C28 H28 N4 O8 -","2","1","","Rajput, Lalit; Banik, Manas; Yarava, Jayasubba Reddy; Joseph, Sumy; Pandey, Manoj Kumar; Nishiyama, Yusuke; Desiraju, Gautam R.","Exploring the salt‒cocrystal continuum with solid-state NMR using natural-abundance samples: implications for crystal engineering","IUCrJ","2017","4","4","","","10.1107/S205225251700687X","","","0.71073","MoKα","","0.1077","0.0646","","","0.1644","0.1894","","","","","","1.037","","","","has coordinates","197562","2020-10-21","18:00:00",""
"1546267","7.316","0.006","8.942","0.008","11.763","0.009","70.15","0.04","84.67","0.04","76.24","0.04","703","1","110","","110","","","","","","","","","5","P -1","-P 1","2","4-Methylpyridinium Pentachlorophenolate","","","- C12 H8 Cl5 N O -","- C12 H8 Cl5 N O -","- C24 H16 Cl10 N2 O2 -","2","1","","Rajput, Lalit; Banik, Manas; Yarava, Jayasubba Reddy; Joseph, Sumy; Pandey, Manoj Kumar; Nishiyama, Yusuke; Desiraju, Gautam R.","Exploring the salt‒cocrystal continuum with solid-state NMR using natural-abundance samples: implications for crystal engineering","IUCrJ","2017","4","4","","","10.1107/S205225251700687X","","","0.71073","MoKα","","0.0494","0.0402","","","0.1228","0.1513","","","","","","1.299","","","","has coordinates","197562","2020-10-21","18:00:00",""
"1546268","7.389","0.008","8.922","0.008","12.014","0.012","69.82","0.03","85.61","0.04","76.26","0.04","722.1","1.3","298","","298","","","","","","","","","5","P -1","-P 1","2","4-Methylpyridinium Pentachlorophenolate","","","- C12 H8 Cl5 N O -","- C12 H8 Cl5 N O -","- C24 H16 Cl10 N2 O2 -","2","1","","Rajput, Lalit; Banik, Manas; Yarava, Jayasubba Reddy; Joseph, Sumy; Pandey, Manoj Kumar; Nishiyama, Yusuke; Desiraju, Gautam R.","Exploring the salt‒cocrystal continuum with solid-state NMR using natural-abundance samples: implications for crystal engineering","IUCrJ","2017","4","4","","","10.1107/S205225251700687X","","","0.71073","MoKα","","0.0726","0.0505","","","0.1613","0.1943","","","","","","1.155","","","","has coordinates","197562","2020-10-21","18:00:00",""
"1546269","7.3382","0.0008","8.8986","0.0009","11.8245","0.0011","69.945","0.005","85.055","0.005","76.133","0.005","704.17","0.13","110","2","110","2","","","","","","","","5","P -1","-P 1","2","4-Methylpyridine Pentachlorophenol","","","- C12 H8 Cl5 N O -","- C12 H8 Cl5 N O -","- C24 H16 Cl10 N2 O2 -","2","1","","Rajput, Lalit; Banik, Manas; Yarava, Jayasubba Reddy; Joseph, Sumy; Pandey, Manoj Kumar; Nishiyama, Yusuke; Desiraju, Gautam R.","Exploring the salt‒cocrystal continuum with solid-state NMR using natural-abundance samples: implications for crystal engineering","IUCrJ","2017","4","4","","","10.1107/S205225251700687X","","","0.71073","MoKα","","0.0614","0.0396","","","0.0964","0.1034","","","","","","1.102","","","","has coordinates","197562","2020-10-21","18:00:00",""
"1546270","7.3857","0.0008","8.9202","0.001","12.0227","0.0012","69.77","0.003","85.869","0.003","76.324","0.004","722.1","0.13","298","2","298","2","","","","","","","","5","P -1","-P 1","2","4-Methylpyridine Pentachlorophenol","","","- C12 H8 Cl5 N O -","- C12 H8 Cl5 N O -","- C24 H16 Cl10 N2 O2 -","2","1","","Rajput, Lalit; Banik, Manas; Yarava, Jayasubba Reddy; Joseph, Sumy; Pandey, Manoj Kumar; Nishiyama, Yusuke; Desiraju, Gautam R.","Exploring the salt‒cocrystal continuum with solid-state NMR using natural-abundance samples: implications for crystal engineering","IUCrJ","2017","4","4","","","10.1107/S205225251700687X","","","0.71073","MoKα","","0.0936","0.0466","","","0.1136","0.1288","","","","","","1.04","","","","has coordinates","197562","2020-10-21","18:00:00",""
"1546272","14.953","0.002","15.734","0.003","17.704","0.003","78.652","0.003","66.812","0.003","72.621","0.003","3639.1","1.1","113","2","113","2","","","","","","","","2","P -1","-P 1","2","","","","- C40 H20 -","- C40 H20 -","- C240 H120 -","6","3","","Nobusue, Shunpei; Fujita, Kazuya; Tobe, Yoshito","Skeletal Rearrangement of Twisted Polycyclic Aromatic Hydrocarbons under Scholl Reaction Conditions.","Organic letters","2017","19","12","3227","3230","10.1021/acs.orglett.7b01341","","","0.71075","MoKα","","0.166","0.0929","","","0.2182","0.2703","","","","","","1.032","","","","has coordinates,has disorder","198430","2020-10-21","18:00:00",""
"1546273","11.3407","0.0015","9.2307","0.0014","12.6634","0.0017","90","","109.296","0.006","90","","1251.2","0.3","223","2","223.15","","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C16 H14 N2 -","- C16 H14 N2 -","- C64 H56 N8 -","4","1","","Kim, Jungwon; Hong, Soon Hyeok","Dual Activation of Nucleophiles and Electrophiles by N-Heterocyclic Carbene Organocatalysis: Chemoselective N-Imination of Indoles with Isocyanides.","Organic letters","2017","","","","","10.1021/acs.orglett.7b01377","","","0.71073","MoKα","","0.0978","0.0502","","","0.1103","0.1309","","","","","","1.038","","","","has coordinates","197587","2020-10-21","18:00:00",""
"1546274","11.7785","0.0012","8.8637","0.0005","13.5121","0.001","90","","111.79","0.011","90","","1309.9","0.2","293","2","293","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C14 H16 N2 O2 -","- C14 H16 N2 O2 -","- C56 H64 N8 O8 -","4","1","","Chen, Fei; Zhu, Fei-Fei; Zhang, Man; Liu, Rui-Hua; Yu, Wei; Han, Bing","Iminoxyl Radical-Promoted Oxycyanation and Aminocyanation of Unactivated Alkenes: Synthesis of Cyano-Featured Isoxazolines and Cyclic Nitrones.","Organic letters","2017","19","12","3255","3258","10.1021/acs.orglett.7b00826","","","0.7107","MoKα","","0.1208","0.0634","","","0.1262","0.1648","","","","","","1.033","","","","has coordinates","198436","2020-10-21","18:00:00",""
"1546275","9.0291","0.0001","35.3591","0.0005","14.1581","0.0002","90","","97.671","0.0009","90","","4479.68","0.1","100","2","100","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","BDT2PT","","- C44 H51 B Br2 N6 O2 S4 -","- C44 H51 B Br2 N6 O2 S4 -","- C176 H204 B4 Br8 N24 O8 S16 -","4","1","","Yin, Xiaodong; Liu, Kanglei; Ren, Yi; Lalancette, Roger A.; Loo, Yueh-Lin; Jäkle, Frieder","Pyridalthiadiazole acceptor-functionalized triarylboranes with multi-responsive optoelectronic characteristics","Chem. Sci.","2017","","","","","10.1039/C6SC03097A","","","1.54178","CuKα","","0.0567","0.0514","","","0.1351","0.1391","","","","","","1.051","","","","has coordinates,has disorder","197636","2020-10-21","18:00:00",""
"1546278","15.5228","0.0002","7.4794","0.0001","17.7719","0.0003","90","","110.099","0.002","90","","1937.68","0.05","293","2","293","2","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","170401NO","","- C28 H22 O -","- C28 H22 O -","- C112 H88 O4 -","4","1","","Ogawa, Naoki; Yamaoka, Yousuke; Yamada, Ken-Ichi; Takasu, Kiyosei","Synthesis of π-Extended Fluoranthenes via a KHMDS-Promoted Anionic-Radical Reaction Cascade.","Organic letters","2017","19","12","3327","3330","10.1021/acs.orglett.7b01538","","x-ray","1.54184","CuKα","","0.0463","0.0449","","","0.12","0.1212","","","","","","1.073","","","","has coordinates","198432","2020-10-21","18:00:00",""
"1546279","7.1051","0.0001","12.3289","0.0002","21.5929","0.0003","90","","90","","90","","1891.5","0.05","293","2","293","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","3a","","- C28 H22 O -","- C28 H22 O -","- C112 H88 O4 -","4","1","","Ogawa, Naoki; Yamaoka, Yousuke; Yamada, Ken-Ichi; Takasu, Kiyosei","Synthesis of π-Extended Fluoranthenes via a KHMDS-Promoted Anionic-Radical Reaction Cascade.","Organic letters","2017","19","12","3327","3330","10.1021/acs.orglett.7b01538","","x-ray","1.54184","CuKα","","0.0393","0.0375","","","0.1016","0.1038","","","","","","0.977","","","","has coordinates","198432","2020-10-21","18:00:00",""
"1546280","9.675","0.004","22.388","0.008","9.675","0.004","90","","118.2","","90","","1846.9","1.3","293","2","293","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C23 H20 N2 O2 -","- C23 H20 N2 O2 -","- C92 H80 N8 O8 -","4","1","","Wu, Xia; Zhao, Peng; Geng, Xiao; Zhang, Jingjing; Gong, Xingxing; Wu, Yan-Dong; Wu, An-Xin","Direct Oxidative Cleavage of Multiple Csp(3)-H Bonds and a C-C Bond in 2-(Pyridin-2-yl)acetate Derivatives: Formal [3 + 1 + 1] Synthesis of 3-(Pyridin-2-yl)indolizine Skeletons.","Organic letters","2017","19","12","3319","3322","10.1021/acs.orglett.7b01492","","","0.71073","MoKα","","0.0848","0.0504","","","0.1462","0.1592","","","","","","0.918","","","","has coordinates","198435","2020-10-21","18:00:00",""
"1546281","11.585","0.005","14.556","0.007","11.74","0.005","90","","94.733","0.006","90","","1973","1.5","296","2","296","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C24 H20 N2 O4 -","- C24 H20 N2 O4 -","- C96 H80 N8 O16 -","4","1","","Wu, Xia; Zhao, Peng; Geng, Xiao; Zhang, Jingjing; Gong, Xingxing; Wu, Yan-Dong; Wu, An-Xin","Direct Oxidative Cleavage of Multiple Csp(3)-H Bonds and a C-C Bond in 2-(Pyridin-2-yl)acetate Derivatives: Formal [3 + 1 + 1] Synthesis of 3-(Pyridin-2-yl)indolizine Skeletons.","Organic letters","2017","19","12","3319","3322","10.1021/acs.orglett.7b01492","","","0.71073","MoKα","","0.0507","0.0414","","","0.1068","0.116","","","","","","0.995","","","","has coordinates","198435","2020-10-21","18:00:00",""
"1546282","11.1514","0.0003","11.5496","0.0003","14.0875","0.0004","75.291","0.001","76.244","0.001","74.695","0.001","1664.09","0.08","296","2","296","2","","","","","","","","6","P -1","-P 1","2","","","","- C37 H34 B F2 N3 O4 -","- C37 H34 B F2 N3 O4 -","- C74 H68 B2 F4 N6 O8 -","2","1","","Cherumukkil, Sandeep; Ghosh, Samrat; Vakayil Karthikeyan, Praveen; Ajayaghosh, Ayyappanpillai","An Unprecedented Amplification of Near-Infrared Emission in a Bodipy Derived π-System by Stress or Gelation","Chem. Sci.","2017","","","","","10.1039/C7SC01696D","","","0.71073","MoKα","","0.0666","0.0443","","","0.126","0.1528","","","","","","1.079","","","","has coordinates","197671","2020-10-21","18:00:00",""
"1546284","14.273","0.003","7.351","0.0015","24.745","0.005","90","","100.76","0.03","90","","2550.6","0.9","293","2","293","2","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","","","- C30 H26 O6 -","- C30 H26 O6 -","- C120 H104 O24 -","4","1","","Huang, Zhusheng; Yang, Xiuqin; Yang, Fulai; Lu, Tao; Zhou, Qingfa","Phosphine-Catalyzed Domino β/γ-Additions of Benzofuranones with Allenoates: A Method for Unsymmetrical 3,3-Disubstituted Benzofuranones","Organic Letters","2017","","","","","10.1021/acs.orglett.7b01482","","","0.71073","MoKα","","0.1995","0.0906","","","0.1793","0.2215","","","","","","1.039","","","","has coordinates","197722","2020-10-21","18:00:00",""
"1546285","11.222","0.005","17.755","0.008","11.216","0.005","90","","96.775","0.008","90","","2219.1","1.7","296","2","296","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C25 H29 N O6 S -","- C25 H29 N O6 S -","- C100 H116 N4 O24 S4 -","4","1","","Gao, Ya-Ru; Wang, Da-Yu; Wang, Yong-Qiang","Asymmetric Syntheses of Amaryllidaceae Alkaloids (-)-Crinane and (+)-4a-Dehydroxycrinamabine.","Organic letters","2017","19","13","3516","3519","10.1021/acs.orglett.7b01486","","","0.71073","MoKα","","0.1809","0.0759","","","0.1553","0.2012","","","","","","1","","","","has coordinates","200736","2020-10-21","18:00:00",""
"1546286","26.256","0.005","21.16","0.004","10.086","0.002","90","","90","","90","","5603.5","1.9","173","2","173","2","","","","","","","","8","P n m a","-P 2ac 2n","62","","","","- C45 H42 Ag4 F9 I N14 O10 S3 -","- C45 H42 Ag4.001 F9 I N14 O10 S3 -","- C180 H168 Ag16.004 F36 I4 N56 O40 S12 -","4","0.5","","Zhang, Qiong-You; He, Xin; Zhao, Liang","Macrocycle-assisted synthesis of non-stoichiometric silver(I) halide electrocatalysts for efficient chlorine evolution reaction","Chem. Sci.","2017","","","","","10.1039/C7SC00575J","","","0.71073","MoKα","","0.1011","0.0835","","","0.1377","0.1439","","","","","","1.209","","","","has coordinates,has disorder","197727","2020-10-21","18:00:00",""
"1546287","24.864","0.005","10.112","0.002","24.94","0.005","90","","114.19","0.03","90","","5720","2","173","2","173","2","","","","","","","","8","P 1 21/n 1","-P 2yn","14","","","","- C46 H46 Ag4 Cl F9 N14 O10 S3 -","- C46 H46 Ag4 Cl F9 N14 O10 S3 -","- C184 H184 Ag16 Cl4 F36 N56 O40 S12 -","4","1","","Zhang, Qiong-You; He, Xin; Zhao, Liang","Macrocycle-assisted synthesis of non-stoichiometric silver(I) halide electrocatalysts for efficient chlorine evolution reaction","Chem. Sci.","2017","","","","","10.1039/C7SC00575J","","","0.71073","MoKα","","0.1138","0.0962","","","0.1793","0.1894","","","","","","1.225","","","","has coordinates,has disorder","197727","2020-10-21","18:00:00",""
"1546288","10.277","0.002","17.015","0.003","19.143","0.004","91.21","0.03","102.96","0.03","90.15","0.03","3261.3","1.2","173","2","173","2","","","","","","","","8","P -1","-P 1","2","","","","- C46 H52 Ag5 Br F12 N14 O17 S4 -","- C46 H52 Ag5 Br F12 N14 O17 S4 -","- C92 H104 Ag10 Br2 F24 N28 O34 S8 -","2","1","","Zhang, Qiong-You; He, Xin; Zhao, Liang","Macrocycle-assisted synthesis of non-stoichiometric silver(I) halide electrocatalysts for efficient chlorine evolution reaction","Chem. Sci.","2017","","","","","10.1039/C7SC00575J","","","0.71073","MoKα","","0.0492","0.0442","","","0.1045","0.1083","","","","","","1.068","","","","has coordinates,has disorder","197727","2020-10-21","18:00:00",""
"1546289","8.2828","0.0004","8.9132","0.0004","9.1524","0.0004","88.129","0.002","79.474","0.002","86.662","0.002","663.02","0.05","100","2","100","","","","","","","","","2","P -1","-P 1","2","","","","- C36 H44 -","- C36 H44 -","- C36 H44 -","1","0.5","","Hein, Samuel J.; Lehnherr, Dan; Dichtel, William","Rapid Access to Substituted 2-Naphthyne Intermediates via the Benzannulation of Halogenated Silylacetylenes","Chem. Sci.","2017","","","","","10.1039/C7SC01625E","","","0.71073","MoKα","","0.0495","0.0481","","","0.1353","0.1367","","","","","","1.075","","","","has coordinates","197728","2020-10-21","18:00:00",""
"1546290","7.1961","0.0004","7.4763","0.0004","26.1123","0.0014","90","","95.1754","0.0014","90","","1399.12","0.13","100","2","100","","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C13 H14 Br2 Si -","- C13 H14 Br2 Si -","- C52 H56 Br8 Si4 -","4","1","","Hein, Samuel J.; Lehnherr, Dan; Dichtel, William","Rapid Access to Substituted 2-Naphthyne Intermediates via the Benzannulation of Halogenated Silylacetylenes","Chem. Sci.","2017","","","","","10.1039/C7SC01625E","","","0.71073","MoKα","","0.0256","0.0193","","","0.0416","0.0431","","","","","","1.036","","","","has coordinates","197728","2020-10-21","18:00:00",""
"1546293","8.1504","0.0004","14.5588","0.0006","10.2533","0.0005","90","","101.286","0.003","90","","1193.13","0.1","100","2","100","","","","","","","","","7","P 1 21 1","P 2yb","4","","","","- C20 H34 Cl2 N2 Ni O P2 -","- C20 H34 Cl2 N2 Ni O P2 -","- C40 H68 Cl4 N4 Ni2 O2 P4 -","2","1","","Desrosiers, Jean-Nicolas; Wen, Jialin; Tcyrulnikov, Sergei; Biswas, Soumik; Qu, Bo; Hie, Liana; Kurouski, Dmitry; Wu, Ling; Grinberg, Nelu; Haddad, Nizar; Busacca, Carl A.; Yee, Nathan K.; Song, Jinhua J.; Garg, Neil K.; Zhang, Xumu; Kozlowski, Marisa C.; Senanayake, Chris H.","Enantioselective Nickel-Catalyzed Mizoroki‒Heck Cyclizations To Generate Quaternary Stereocenters","Organic Letters","2017","","","","","10.1021/acs.orglett.7b01054","","","1.54184","CuKα","","0.0207","0.0202","","","0.0484","0.0486","","","","","","1.023","","","","has coordinates","197744","2020-10-21","18:00:00",""
"1546294","14.0045","0.0003","12.0323","0.0002","17.8455","0.0004","90","","100.017","0.002","90","","2961.24","0.11","180.1","0.14","180.1","0.14","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C29 H40 Br N O5 S -","- C29 H40 Br N O5 S -","- C116 H160 Br4 N4 O20 S4 -","4","1","","Guarnieri-Ibáñez, Alejandro; Medina, Florian; Besnard, Céline; Kidd, Sarah L.; Spring, David R.; Lacour, Jerome","Diversity-Oriented Synthesis of Heterocycles and Macrocycles by Controlled Reactions of Oxetanes with α-Iminocarbenes","Chem. Sci.","2017","","","","","10.1039/C7SC00964J","","x-ray","1.54184","CuKα","","0.0306","0.0293","","","0.0797","0.0806","","","","","","1.06","","","","has coordinates","197752","2020-10-21","18:00:00",""
"1546295","8.58394","0.00013","10.36548","0.00013","19.8233","0.0003","96.6637","0.0011","102.379","0.0013","102.18","0.0012","1659.82","0.04","210","0.14","210","0.14","","","","","","","","5","P -1","-P 1","2","","","","- C32 H42 N2 O7 S -","- C32 H42 N2 O7 S -","- C64 H84 N4 O14 S2 -","2","1","","Guarnieri-Ibáñez, Alejandro; Medina, Florian; Besnard, Céline; Kidd, Sarah L.; Spring, David R.; Lacour, Jerome","Diversity-Oriented Synthesis of Heterocycles and Macrocycles by Controlled Reactions of Oxetanes with α-Iminocarbenes","Chem. Sci.","2017","","","","","10.1039/C7SC00964J","","","1.54184","CuKα","","0.0412","0.0362","","","0.0994","0.1054","","","","","","1.018","","","","has coordinates","197752","2020-10-21","18:00:00",""
"1546296","8.3686","0.0004","10.3246","0.0004","12.66","0.0005","70.135","0.003","77.897","0.003","68.067","0.004","950","0.08","180.1","0.9","180.1","0.9","","","","","","","","5","P -1","-P 1","2","","","","- C20 H25 N O3 S -","- C20 H25 N O3 S -","- C40 H50 N2 O6 S2 -","2","1","","Guarnieri-Ibáñez, Alejandro; Medina, Florian; Besnard, Céline; Kidd, Sarah L.; Spring, David R.; Lacour, Jerome","Diversity-Oriented Synthesis of Heterocycles and Macrocycles by Controlled Reactions of Oxetanes with α-Iminocarbenes","Chem. Sci.","2017","","","","","10.1039/C7SC00964J","","x-ray","1.54184","CuKα","","0.051","0.0486","","","0.141","0.1437","","","","","","1.039","","","","has coordinates,has disorder","197752","2020-10-21","18:00:00",""
"1546297","17.4991","0.0002","5.6744","0.00006","20.5923","0.0003","90","","107.156","0.0013","90","","1953.77","0.04","181","2","181","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C19 H29 N O4 S -","- C19 H29 N O4 S -","- C76 H116 N4 O16 S4 -","4","1","","Guarnieri-Ibáñez, Alejandro; Medina, Florian; Besnard, Céline; Kidd, Sarah L.; Spring, David R.; Lacour, Jerome","Diversity-Oriented Synthesis of Heterocycles and Macrocycles by Controlled Reactions of Oxetanes with α-Iminocarbenes","Chem. Sci.","2017","","","","","10.1039/C7SC00964J","","x-ray","1.54184","CuKα","","0.0412","0.0377","","","0.1005","0.105","","","","","","1.051","","","","has coordinates","197752","2020-10-21","18:00:00",""
"1546298","9.20537","0.00016","23.7526","0.0005","14.5525","0.0003","90","","92.7036","0.0016","90","","3178.38","0.11","180","0.1","180","0.1","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C32 H42 N2 O7 S -","- C32 H42 N2 O7 S -","- C128 H168 N8 O28 S4 -","4","1","","Guarnieri-Ibáñez, Alejandro; Medina, Florian; Besnard, Céline; Kidd, Sarah L.; Spring, David R.; Lacour, Jerome","Diversity-Oriented Synthesis of Heterocycles and Macrocycles by Controlled Reactions of Oxetanes with α-Iminocarbenes","Chem. Sci.","2017","","","","","10.1039/C7SC00964J","","x-ray","1.54184","CuKα","","0.0507","0.0481","","","0.1176","0.1196","","","","","","1.024","","","","has coordinates","197752","2020-10-21","18:00:00",""
"1546299","11.0583","0.0003","12.1489","0.0003","13.6776","0.0003","90","","98.545","0.002","90","","1817.14","0.08","180","","180","","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C20 H23 N O3 S -","- C20 H23 N O3 S -","- C80 H92 N4 O12 S4 -","4","1","","Guarnieri-Ibáñez, Alejandro; Medina, Florian; Besnard, Céline; Kidd, Sarah L.; Spring, David R.; Lacour, Jerome","Diversity-Oriented Synthesis of Heterocycles and Macrocycles by Controlled Reactions of Oxetanes with α-Iminocarbenes","Chem. Sci.","2017","","","","","10.1039/C7SC00964J","","x-ray","1.54184","CuKα","","0.0431","0.0409","","","0.1118","0.1141","","","","","","1.04","","","","has coordinates","197752","2020-10-21","18:00:00",""
"1546300","10.6084","0.0006","10.72","0.0005","10.8762","0.0007","117.6","0.006","110.658","0.005","94.009","0.004","984.19","0.13","179","2","179","2","","","","","","","","5","P -1","-P 1","2","","","","- C21 H25 N O3 S -","- C21 H25 N O3 S -","- C42 H50 N2 O6 S2 -","2","1","","Guarnieri-Ibáñez, Alejandro; Medina, Florian; Besnard, Céline; Kidd, Sarah L.; Spring, David R.; Lacour, Jerome","Diversity-Oriented Synthesis of Heterocycles and Macrocycles by Controlled Reactions of Oxetanes with α-Iminocarbenes","Chem. Sci.","2017","","","","","10.1039/C7SC00964J","","x-ray","1.54184","CuKα","","0.0485","0.0413","","","0.1124","0.1187","","","","","","1.039","","","","has coordinates,has disorder","197752","2020-10-21","18:00:00",""
"1546301","6.1914","0.0002","19.1212","0.0005","33.9479","0.001","90","","90","","90","","4019","0.2","100","2","100","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C23 H21 Cl O4 -","- C23 H21 Cl O4 -","- C184 H168 Cl8 O32 -","8","2","","Ni, Huanzhen; Yu, Zhaoyuan; Yao, Weijun; Lan, Yu; Ullah, Nisar; Lu, Yixin","Catalyst-controlled regioselectivity in phosphine catalysis: synthesis of spirocyclic benzofuranones via regiodivergent [3+2] annulations of aurones and an allenoateαα","Chem. Sci.","2017","","","","","10.1039/C7SC02176C","","","1.54178","CuKα","","0.0381","0.0316","","","0.0682","0.0709","","","","","","1.035","","","","has coordinates","197753","2020-10-21","18:00:00",""
"1546302","11.0876","0.0005","13.0214","0.0006","28.1322","0.0014","90","","90","","90","","4061.6","0.3","100","2","100","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C23 H21 Cl O4 -","- C23 H21 Cl O4 -","- C184 H168 Cl8 O32 -","8","2","","Ni, Huanzhen; Yu, Zhaoyuan; Yao, Weijun; Lan, Yu; Ullah, Nisar; Lu, Yixin","Catalyst-controlled regioselectivity in phosphine catalysis: synthesis of spirocyclic benzofuranones via regiodivergent [3+2] annulations of aurones and an allenoateαα","Chem. Sci.","2017","","","","","10.1039/C7SC02176C","","","1.54178","CuKα","","0.0273","0.0264","","","0.0641","0.0646","","","","","","1.109","","","","has coordinates","197753","2020-10-21","18:00:00",""
"1546305","7.0397","0.0002","9.0581","0.0003","15.2974","0.0005","90","","90","","90","","975.46","0.05","200","2","200","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C11 H12 O4 -","- C11 H12 O4 -","- C44 H48 O16 -","4","1","","Huang, Wei-Lun; Raja, Arun; Hong, Bor-Cherng; Lee, Gene-Hsiang","Organocatalytic Enantioselective Michael-Acetalization-Reduction-Nef Reaction for a One-Pot Entry to the Functionalized Aflatoxin System. Total Synthesis of (-)- Dihydroaflatoxin D2 and (-)- and (+)-Microminutinin.","Organic letters","2017","19","13","3494","3497","10.1021/acs.orglett.7b01473","","","1.54178","CuKα","","0.0311","0.0305","","","0.0823","0.0827","","","","","","1.503","","","","has coordinates","200751","2020-10-21","18:00:00",""
"1546306","13.0555","0.0003","9.4842","0.0002","8.191","0.0002","90","","94.6099","0.0009","90","","1010.94","0.04","200","2","200","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C11 H11 Br O2 -","- C11 H11 Br O2 -","- C44 H44 Br4 O8 -","4","1","","Huang, Wei-Lun; Raja, Arun; Hong, Bor-Cherng; Lee, Gene-Hsiang","Organocatalytic Enantioselective Michael-Acetalization-Reduction-Nef Reaction for a One-Pot Entry to the Functionalized Aflatoxin System. Total Synthesis of (-)- Dihydroaflatoxin D2 and (-)- and (+)-Microminutinin.","Organic letters","2017","19","13","3494","3497","10.1021/acs.orglett.7b01473","","","1.54178","CuKα","","0.0297","0.0275","","","0.0754","0.0773","","","","","","1.034","","","","has coordinates","200751","2020-10-21","18:00:00",""
"1546307","5.332","0.003","19.341","0.009","14.278","0.007","90","","93.816","0.009","90","","1469.2","1.3","296.15","","296.15","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C18 H13 N3 O -","- C18 H13 N3 O -","- C72 H52 N12 O4 -","4","1","","Duan, Xiyan; Yang, Kun; Lu, Jun; Kong, Xianglei; Liu, Ning; Ma, Junying","Base-Mediated Cascade Substitution-Cyclization of 2H-Azirines: Access to Highly Substituted Oxazoles.","Organic letters","2017","19","13","3370","3373","10.1021/acs.orglett.7b01305","","","0.71073","MoKα","","0.0691","0.0422","","","0.0986","0.1128","","","","","","1.039","","","","has coordinates","200753","2020-10-21","18:00:00",""
"1546308","7.5151","0.0037","35.334","0.0164","11.4224","0.0055","90","","90.44","","90","","3033","3","100","2","100","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C35 H28 N2 Ni O2 S4 -","- C35 H28 N2 Ni O2 S4 -","- C140 H112 N8 Ni4 O8 S16 -","4","1","","Nguyen, Minh T.; Jones, Richard A.; Holliday, Bradley","Effect of Conjugation Length and Metal-Backbone Interactions on Charge Transport Properties of Conducting Metallopolymers","Polym. Chem.","2017","","","","","10.1039/C7PY00673J","","","0.71073","MoKα","","0.0852","0.057","","","0.1216","0.1331","","","","","","1.055","","","","has coordinates,has disorder","197801","2020-10-21","18:00:00",""
"1546309","29.325","0.016","20.484","0.011","9.653","0.005","90","","90","","90","","5798","5","100","2","100","2","","","","","","","","7","P b c n","-P 2n 2ab","60","","","","- C59 H64 Cl0 Cu N2 O2 S6 -","- C59 H64 Cu N2 O2 S6 -","- C236 H256 Cu4 N8 O8 S24 -","4","0.5","","Nguyen, Minh T.; Jones, Richard A.; Holliday, Bradley","Effect of Conjugation Length and Metal-Backbone Interactions on Charge Transport Properties of Conducting Metallopolymers","Polym. Chem.","2017","","","","","10.1039/C7PY00673J","","","0.71073","MoKα","","0.1139","0.1134","","","0.326","0.3267","","","","","","1.365","","","","has coordinates,has disorder","197801","2020-10-21","18:00:00",""
"1546310","8.868","0.002","19.809","0.005","33.077","0.009","90","","102.154","0.007","90","","5680","2","100","2","100","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C60 H58 Cl2 N2 Ni O2 S6 -","- C60 H58 Cl2 N2 Ni O2 S6 -","- C240 H232 Cl8 N8 Ni4 O8 S24 -","4","1","","Nguyen, Minh T.; Jones, Richard A.; Holliday, Bradley","Effect of Conjugation Length and Metal-Backbone Interactions on Charge Transport Properties of Conducting Metallopolymers","Polym. Chem.","2017","","","","","10.1039/C7PY00673J","","","0.71073","MoKα","","0.0958","0.0945","","","0.2432","0.2444","","","","","","1.216","","","","has coordinates,has disorder","197801","2020-10-21","18:00:00",""
"1546311","5.7227","0.0018","12.3378","0.0037","33.1425","0.0107","90","","90","","90","","2340","1.3","293","2","293","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C27 H26 N2 O2 S2 -","- C26.86 H25.895 N2 O2 S1.965 -","- C107.44 H103.58 N8 O8 S7.86 -","4","1","","Nguyen, Minh T.; Jones, Richard A.; Holliday, Bradley","Effect of Conjugation Length and Metal-Backbone Interactions on Charge Transport Properties of Conducting Metallopolymers","Polym. Chem.","2017","","","","","10.1039/C7PY00673J","","","0.71073","MoKα","","0.0759","0.0645","","","0.1613","0.1703","","","","","","0.92","","","","has coordinates,has disorder","197801","2020-10-21","18:00:00",""
"1546312","8.936","0.0018","11.6472","0.0025","31.5458","0.0069","90","","93.75","","90","","3276.2","1.2","293","2","293","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C74 H62 Co2 N6 O6 S8 -","- C74 H62 Co2 N6 O6 S8 -","- C148 H124 Co4 N12 O12 S16 -","2","0.5","","Nguyen, Minh T.; Jones, Richard A.; Holliday, Bradley","Effect of Conjugation Length and Metal-Backbone Interactions on Charge Transport Properties of Conducting Metallopolymers","Polym. Chem.","2017","","","","","10.1039/C7PY00673J","","","0.71073","MoKα","","0.0643","0.0628","","","0.1438","0.1448","","","","","","1.226","","","","has coordinates,has disorder","197801","2020-10-21","18:00:00",""
"1546313","22.549","0.002","5.7466","0.0005","11.4612","0.0012","90","","105.767","0.006","90","","1429.3","0.2","296","2","296.15","","","","","","","","","4","C 1 2 1","C 2y","5","Fiaud's acid","(2R,5R)-1-hydroxy-2,5-diphenylphospholane 1-oxide","","- C16 H17 O2 P -","- C16 H17 O2 P -","- C64 H68 O8 P4 -","4","1","","Chatterjee, Sourav; Hintermann, Lukas; Mandal, Madhumita; Achari, Anushree; Gupta, Sreya; Jaisankar, Parasuraman","Fiaud's Acid: A Brønsted Acid Catalyst for Enantioselective Friedel-Crafts Alkylation of Indoles with 2-Alkene-1,4-diones.","Organic letters","2017","19","13","3426","3429","10.1021/acs.orglett.7b01383","","","0.71073","MoKα","","0.0442","0.0388","","","0.1013","0.1177","","","","","","1.178","","","","has coordinates","200735","2020-10-21","18:00:00",""
"1546314","11.62","0.005","12.325","0.005","15.818","0.005","90","0.005","97.163","0.005","90","0.005","2247.7","1.5","100","2","100","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C29 H24 N2 O2 S -","- C29 H24 N2 O2 S -","- C116 H96 N8 O8 S4 -","4","1","","Pradhan, Sajan; Shahi, Chandan Kumar; Bhattacharyya, Aditya; Chauhan, Navya; Ghorai, Manas K.","Syntheses of Tetrahydrobenzoazepinoindoles and Dihydrobenzodiazepinoindoles via Ring-Opening Cyclization of Activated Aziridines with 2-(2-Bromophenyl)-1H-indoles.","Organic letters","2017","19","13","3438","3441","10.1021/acs.orglett.7b01397","","","0.71073","MoKα","","0.0644","0.0412","","","0.1045","0.1277","","","","","","1.151","","","","has coordinates","200744","2020-10-21","18:00:00",""
"1546315","15.766","0.002","11.5833","0.0016","17.044","0.002","90","","90","","90","","3112.6","0.7","296","2","296","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C17 H13 F3 N2 O -","- C17 H13 F3 N2 O -","- C136 H104 F24 N16 O8 -","8","1","","Qin, Shuang; Zheng, Yan; Zhang, Fa-Guang; Ma, Jun-An","One-Pot Cascade Transformations of Zinc Trifluorodiazoethylide and α,β-Unsaturated Enones: Access to Trifluoromethylated Polycyclic Pyrazolines.","Organic letters","2017","19","13","3406","3409","10.1021/acs.orglett.7b01362","","","0.71073","MoKα","","0.0733","0.0476","","","0.1132","0.1274","","","","","","1.027","","","","has coordinates","200747","2020-10-21","18:00:00",""
"1546316","7.367","0.005","19.893","0.015","20.426","0.015","90","","90","","90","","2993","4","296","2","296","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C17 H13 F3 N2 O -","- C17 H13 F3 N2 O -","- C136 H104 F24 N16 O8 -","8","1","","Qin, Shuang; Zheng, Yan; Zhang, Fa-Guang; Ma, Jun-An","One-Pot Cascade Transformations of Zinc Trifluorodiazoethylide and α,β-Unsaturated Enones: Access to Trifluoromethylated Polycyclic Pyrazolines.","Organic letters","2017","19","13","3406","3409","10.1021/acs.orglett.7b01362","","","0.71073","MoKα","","0.0829","0.0656","","","0.1951","0.214","","","","","","1.078","","","","has coordinates","200747","2020-10-21","18:00:00",""
"1546317","29.348","0.0019","29.348","0.0019","5.4131","0.0004","90","","90","","120","","4037.7","0.5","100","2","100","2","","","","","","","","6","P 65","P 65","170","","","","- C26 H34 Cl N O5 S -","- C26 H34 Cl N O5 S -","- C156 H204 Cl6 N6 O30 S6 -","6","1","","Al-Saffar, Firas M; Brown, Richard C. D.","A Two-Directional Synthesis of (+)-β-Isosparteine.","Organic letters","2017","19","13","3502","3504","10.1021/acs.orglett.7b01475","","x-ray","0.71075","MoKα","K-L~3~","0.2199","0.1018","","","0.207","0.2642","","","","","","1.005","","","","has coordinates,has disorder","200754","2020-10-21","18:00:00",""
"1546318","6.08925","0.00015","10.1967","0.0002","21.7891","0.0007","90","","90","","90","","1352.89","0.06","100","2","100","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C15 H22 N2 O2 -","- C15 H22 N2 O2 -","- C60 H88 N8 O8 -","4","1","","Al-Saffar, Firas M; Brown, Richard C. D.","A Two-Directional Synthesis of (+)-β-Isosparteine.","Organic letters","2017","19","13","3502","3504","10.1021/acs.orglett.7b01475","","x-ray","0.71073","MoKα","","0.0436","0.0377","","","0.0825","0.0855","","","","","","1.023","","","","has coordinates","200754","2020-10-21","18:00:00",""
"1546319","6.4385","0.0007","17.461","0.002","19.3045","0.0016","90","","90","","90","","2170.3","0.4","100","2","100","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C20 H28 Cl N O4 S -","- C20 H28 Cl N O4 S -","- C80 H112 Cl4 N4 O16 S4 -","4","1","","Al-Saffar, Firas M; Brown, Richard C. D.","A Two-Directional Synthesis of (+)-β-Isosparteine.","Organic letters","2017","19","13","3502","3504","10.1021/acs.orglett.7b01475","","x-ray","0.71073","MoKα","","0.1958","0.1323","","","0.3192","0.3642","","","","","","1.066","","","","has coordinates","200754","2020-10-21","18:00:00",""
"1546320","9.8797","0.0006","10.1848","0.0004","10.9733","0.0005","78.19","0.004","86.738","0.004","83.332","0.004","1072.86","0.09","110","","110","","","","","","","","","7","P -1","-P 1","2","","","","- C22 H19 Bi F3 N O3 S -","- C22 H19 Bi F3 N O3 S -","- C44 H38 Bi2 F6 N2 O6 S2 -","2","1","","Toma, Ana M.; Raţ, Ciprian I.; Pavel, Octavian D.; Hardacre, Christopher; Rüffer, Tobias; Lang, Heinrich; Mehring, Michael; Silvestru, Anca; Pârvulescu, Vasile I.","Heterocyclic bismuth(iii) compounds with transannular N→Bi interactions as catalysts for the oxidation of thiophenol to diphenyldisulfide","Catal. Sci. Technol.","2017","","","","","10.1039/C7CY00521K","","","0.71073","MoKα","","0.03","0.0266","","","0.0503","0.0516","","","","","","1.037","","","","has coordinates","197829","2020-10-21","18:00:00",""
"1546321","9.634","0.0004","10.1839","0.0006","19.5747","0.001","91.79","0.004","104.227","0.004","93.993","0.004","1854.76","0.17","110","","110","","","","","","","","","5","P -1","-P 1","2","","","","- C21 H19 Bi N2 O3 -","- C21 H19 Bi N2 O3 -","- C84 H76 Bi4 N8 O12 -","4","2","","Toma, Ana M.; Raţ, Ciprian I.; Pavel, Octavian D.; Hardacre, Christopher; Rüffer, Tobias; Lang, Heinrich; Mehring, Michael; Silvestru, Anca; Pârvulescu, Vasile I.","Heterocyclic bismuth(iii) compounds with transannular N→Bi interactions as catalysts for the oxidation of thiophenol to diphenyldisulfide","Catal. Sci. Technol.","2017","","","","","10.1039/C7CY00521K","","","0.71073","MoKα","","0.056","0.0459","","","0.0891","0.0933","","","","","","1.075","","","","has coordinates","197829","2020-10-21","18:00:00",""
"1546322","9.567","0.003","18.155","0.005","12.596","0.004","90","","110.952","0.005","90","","2043.1","1.1","297","2","297","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C22 H21 Bi N2 O3 -","- C22 H21 Bi N2 O3 -","- C88 H84 Bi4 N8 O12 -","4","1","","Toma, Ana M.; Raţ, Ciprian I.; Pavel, Octavian D.; Hardacre, Christopher; Rüffer, Tobias; Lang, Heinrich; Mehring, Michael; Silvestru, Anca; Pârvulescu, Vasile I.","Heterocyclic bismuth(iii) compounds with transannular N→Bi interactions as catalysts for the oxidation of thiophenol to diphenyldisulfide","Catal. Sci. Technol.","2017","","","","","10.1039/C7CY00521K","","","0.71073","MoKα","","0.0502","0.0365","","","0.0726","0.0782","","","","","","1.07","","","","has coordinates","197829","2020-10-21","18:00:00",""
"1546323","12.068","0.0011","14.0151","0.0013","15.1158","0.0014","90","","91.579","0.002","90","","2555.6","0.4","294","2","294","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C29 H26 Bi N O3 S -","- C29 H26 Bi N O3 S -","- C116 H104 Bi4 N4 O12 S4 -","4","1","","Toma, Ana M.; Raţ, Ciprian I.; Pavel, Octavian D.; Hardacre, Christopher; Rüffer, Tobias; Lang, Heinrich; Mehring, Michael; Silvestru, Anca; Pârvulescu, Vasile I.","Heterocyclic bismuth(iii) compounds with transannular N→Bi interactions as catalysts for the oxidation of thiophenol to diphenyldisulfide","Catal. Sci. Technol.","2017","","","","","10.1039/C7CY00521K","","","0.71073","MoKα","","0.0466","0.033","","","0.0655","0.0689","","","","","","0.973","","","","has coordinates","197829","2020-10-21","18:00:00",""
"1546326","6.958","0.004","8.66","0.005","11.304","0.006","106.451","0.009","92.498","0.01","100.27","0.009","639.6","0.6","296","2","296","2","","","","","","","","3","P -1","-P 1","2","","","","- C19 H10 O3 -","- C19 H10 O3 -","- C38 H20 O6 -","2","1","","Han, Jie; Wang, Tao; Liang, Yong; Li, Ying; Li, Chenchen; Wang, Rui; Feng, Siqi; Zhang, Zunting","Transition-Metal-Free Photoinduced Intramolecular Annulation of 2,3-Di(hetero)arylchromen-4-one","Organic Letters","2017","","","","","10.1021/acs.orglett.7b01531","","","0.71073","MoKα","","0.1562","0.1112","","","0.2996","0.3479","","","","","","1.034","","","","has coordinates","197863","2020-10-21","18:00:00",""
"1546327","9.4731","0.0013","12.733","0.0018","18.302","0.003","73.8","0.002","79.595","0.002","73.498","0.002","2020.3","0.5","100","2","100","2","","","","","","","","4","P -1","-P 1","2","","","","- C22 H27 N O4 -","- C22 H27 N O4 -","- C88 H108 N4 O16 -","4","2","","Read, Jacquelyne A.; Yang, Yingying; Woerpel, K. A.","Additions of Organomagnesium Halides to α-Alkoxy Ketones: Revision of the Chelation-Control Model.","Organic letters","2017","19","13","3346","3349","10.1021/acs.orglett.7b01161","","","0.71073","MoKα","","0.0992","0.0548","","","0.1231","0.1414","","","","","","1.039","","","","has coordinates,has disorder","200738","2020-10-21","18:00:00",""
"1546328","8.9205","0.0007","9.2312","0.0006","24.273","0.002","90","","90","","90","","1998.8","0.3","293","2","293","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C25 H23 N O2 -","- C25 H23 N O2 -","- C100 H92 N4 O8 -","4","1","","Huang, Fei; Liu, Zhuqing; Wang, Quannan; Lou, Jiang; Yu, Zhengkun","Copper-Catalyzed Formal Carbene Migratory Insertion into Internal Olefinic C═C Bonds with N-Tosylhydrazones To Access Iminofuran and 2(3H)-Furanone Derivatives.","Organic letters","2017","19","13","3660","3663","10.1021/acs.orglett.7b01668","","","0.71073","MoKα","","0.0544","0.0393","","","0.0821","0.0921","","","","","","1.076","","","","has coordinates","200752","2020-10-21","18:00:00",""
"1546329","6.3642","0.0005","16.7315","0.0016","18.611","0.0019","90","","96.317","0.007","90","","1969.7","0.3","293","2","293","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C22 H27 N O2 -","- C22 H27 N O2 -","- C88 H108 N4 O8 -","4","1","","Huang, Fei; Liu, Zhuqing; Wang, Quannan; Lou, Jiang; Yu, Zhengkun","Copper-Catalyzed Formal Carbene Migratory Insertion into Internal Olefinic C═C Bonds with N-Tosylhydrazones To Access Iminofuran and 2(3H)-Furanone Derivatives.","Organic letters","2017","19","13","3660","3663","10.1021/acs.orglett.7b01668","","","0.71073","MoKα","","0.0932","0.0596","","","0.1442","0.1745","","","","","","1.011","","","","has coordinates,has disorder","200752","2020-10-21","18:00:00",""
"1546330","23.536","0.012","42.75","0.02","5.126","0.003","90","","90","","90","","5158","5","123","2","123","2","","","","","","","","4","F d d 2","F 2 -2d","43","","","","- C16 H10 N2 O3 -","- C16 H10 N2 O3 -","- C256 H160 N32 O48 -","16","1","","Tripathi, Chandra Bhushan; Ohtani, Tsuyoshi; Corbett, Michael T.; Ooi, Takashi","Photoredox ketone catalysis for the direct C‒H imidation and acyloxylation of arenes","Chem. Sci.","2017","","","","","10.1039/C7SC01700F","","","0.71075","MoKα","","0.0438","0.0372","","","0.0805","0.0816","","","","","","0.889","","","","has coordinates","197868","2020-10-21","18:00:00",""
"1546332","11.8865","0.0019","8.4071","0.0019","22.8768","0.0018","90","0.014","100.158","0.01","90","0.016","2250.3","0.7","293","2","293","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C27 H28 N2 O -","- C27 H28 N2 O -","- C108 H112 N8 O4 -","4","1","","Hu, Xinwei; Chen, Xun; Zhu, Yong; Deng, Yuanfu; Zeng, Huaqiang; Jiang, Huanfeng; Zeng, Wei","Rh(III)-Catalyzed Carboamination of Propargyl Cycloalkanols with Arylamines via Csp2‒H/Csp3‒Csp3 Activation","Organic Letters","2017","","","","","10.1021/acs.orglett.7b01372","","","1.54178","CuKα","","0.095","0.082","","","0.2222","0.2349","","","","","","1.075","","","","has coordinates","197892","2020-10-21","18:00:00",""
"1546333","12.609","0.003","12.998","0.003","18.154","0.004","81.932","0.007","84.577","0.007","82.253","0.007","2910.3","1.2","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","","","- C26 H36 N4 O6 Pd2 -","- C26 H36 N4 O6 Pd2 -","- C104 H144 N16 O24 Pd8 -","4","2","","Gair, Joe J.; Haines, Brandon E.; Filatov, Alexander S.; Musaev, D. G.; Lewis, Jared C.","Mono-N-Protected Amino Acid Ligands Stabilize Dimeric Palladium(II) Complexes of Importance to C-H Functionalization","Chem. Sci.","2017","","","","","10.1039/C7SC01674C","","","0.71073","MoKα","","0.0887","0.051","","","0.0998","0.1112","","","","","","1.026","","","","has coordinates","214153","2020-10-21","18:00:00",""
"1546334","28.337","0.005","13.971","0.003","14.982","0.003","90","","102.276","0.005","90","","5796","2","100","2","100","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C38 H34 F12 I12 N4 Pd2 -","- C38 H34 F12 I12 N4 Pd2 -","- C152 H136 F48 I48 N16 Pd8 -","4","1","","Gair, Joe J.; Haines, Brandon E.; Filatov, Alexander S.; Musaev, D. G.; Lewis, Jared C.","Mono-N-Protected Amino Acid Ligands Stabilize Dimeric Palladium(II) Complexes of Importance to C-H Functionalization","Chem. Sci.","2017","","","","","10.1039/C7SC01674C","","","0.71073","MoKα","","0.0406","0.0279","","","0.0562","0.0603","","","","","","1.069","","","","has coordinates","197897","2020-10-21","18:00:00",""
"1546335","7.8606","0.0004","15.71","0.0009","8.3499","0.0004","90","","108.607","0.0013","90","","977.23","0.09","100","2","100","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C18 H23.6 Cl2.4 N2 Pd2 -","- C18 H23.6 Cl2.4 N2 Pd2 -","- C36 H47.2 Cl4.8 N4 Pd4 -","2","0.5","","Gair, Joe J.; Haines, Brandon E.; Filatov, Alexander S.; Musaev, D. G.; Lewis, Jared C.","Mono-N-Protected Amino Acid Ligands Stabilize Dimeric Palladium(II) Complexes of Importance to C-H Functionalization","Chem. Sci.","2017","","","","","10.1039/C7SC01674C","","","0.71073","MoKα","","0.0529","0.0419","","","0.0876","0.0907","","","","","","1.29","","","","has coordinates,has disorder","197897","2020-10-21","18:00:00",""
"1546336","10.3725","0.001","8.0905","0.0008","14.2505","0.0013","90","","90.468","0.002","90","","1195.8","0.2","100","2","100","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C18 H24 Cl8 N2 Pd -","- C18 H24 Cl8 N2 Pd -","- C36 H48 Cl16 N4 Pd2 -","2","0.5","","Gair, Joe J.; Haines, Brandon E.; Filatov, Alexander S.; Musaev, D. G.; Lewis, Jared C.","Mono-N-Protected Amino Acid Ligands Stabilize Dimeric Palladium(II) Complexes of Importance to C-H Functionalization","Chem. Sci.","2017","","","","","10.1039/C7SC01674C","","","0.71073","MoKα","","0.0677","0.0435","","","0.1038","0.1154","","","","","","1.096","","","","has coordinates","197897","2020-10-21","18:00:00",""
"1546337","9.2657","0.0011","29.63","0.004","19.311","0.003","90","","90","","90","","5301.7","1.3","100","2","100","2","","","","","","","","6","C 2 2 21","C 2c 2","20","","","","- C43 H58 F6 N4 O6 Pd2 -","- C43 H58 F6 N4 O6 Pd2 -","- C172 H232 F24 N16 O24 Pd8 -","4","0.5","","Gair, Joe J.; Haines, Brandon E.; Filatov, Alexander S.; Musaev, D. G.; Lewis, Jared C.","Mono-N-Protected Amino Acid Ligands Stabilize Dimeric Palladium(II) Complexes of Importance to C-H Functionalization","Chem. Sci.","2017","","","","","10.1039/C7SC01674C","","","0.71073","MoKα","","0.0899","0.065","","","0.14","0.149","","","","","","1.05","","","","has coordinates,has disorder","197897","2020-10-21","18:00:00",""
"1546338","19.2283","0.0014","17.6933","0.0014","18.9065","0.0015","90","","93.545","0.003","90","","6419.9","0.9","100","2","100","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C28 H34 F6 N4 O6 Pd2 -","- C28 H34 F6 N4 O6 Pd2 -","- C224 H272 F48 N32 O48 Pd16 -","8","1","","Gair, Joe J.; Haines, Brandon E.; Filatov, Alexander S.; Musaev, D. G.; Lewis, Jared C.","Mono-N-Protected Amino Acid Ligands Stabilize Dimeric Palladium(II) Complexes of Importance to C-H Functionalization","Chem. Sci.","2017","","","","","10.1039/C7SC01674C","","","0.71073","MoKα","","0.0265","0.0213","","","0.0498","0.0522","","","","","","1.074","","","","has coordinates","197897","2020-10-21","18:00:00",""
"1546339","9.318","0.0004","9.8627","0.0004","40.0507","0.0019","90","","90","","90","","3680.7","0.3","100","2","100","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C32 H41 F6 N5 O6 Pd2 -","- C32 H41 F6 N5 O6 Pd2 -","- C128 H164 F24 N20 O24 Pd8 -","4","1","","Gair, Joe J.; Haines, Brandon E.; Filatov, Alexander S.; Musaev, D. G.; Lewis, Jared C.","Mono-N-Protected Amino Acid Ligands Stabilize Dimeric Palladium(II) Complexes of Importance to C-H Functionalization","Chem. Sci.","2017","","","","","10.1039/C7SC01674C","","","0.71073","MoKα","","0.0728","0.0435","","","0.0576","0.062","","","","","","1.046","","","","has coordinates","197897","2020-10-21","18:00:00",""
"1546340","19.2982","0.0005","16.418","0.0005","19.703","0.0006","90","","96.739","0.001","90","","6199.5","0.3","100","2","100","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C26 H35 Cl N4 O6 Pd2 -","- C26 H35 Cl N4 O6 Pd2 -","- C208 H280 Cl8 N32 O48 Pd16 -","8","1","","Gair, Joe J.; Haines, Brandon E.; Filatov, Alexander S.; Musaev, D. G.; Lewis, Jared C.","Mono-N-Protected Amino Acid Ligands Stabilize Dimeric Palladium(II) Complexes of Importance to C-H Functionalization","Chem. Sci.","2017","","","","","10.1039/C7SC01674C","","x-ray","0.41328","synchrotron","","0.0663","0.0402","","","0.0831","0.0921","","","","","","1.022","","","","has coordinates,has disorder","197897","2020-10-21","18:00:00",""
"1546341","7.6908","0.0005","13.0776","0.0008","7.1107","0.0004","90","","90.8831","0.0014","90","","715.09","0.08","100","2","100","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C2 H8 Cl3 N Pd -","- C2 H8 Cl3 N Pd -","- C8 H32 Cl12 N4 Pd4 -","4","0.5","","Gair, Joe J.; Haines, Brandon E.; Filatov, Alexander S.; Musaev, D. G.; Lewis, Jared C.","Mono-N-Protected Amino Acid Ligands Stabilize Dimeric Palladium(II) Complexes of Importance to C-H Functionalization","Chem. Sci.","2017","","","","","10.1039/C7SC01674C","","","0.71073","MoKα","","0.0137","0.0115","","","0.0247","0.0253","","","","","","1.137","","","","has coordinates","216710","2020-10-21","18:00:00",""
"1546342","22.7963","0.0011","14.7612","0.0008","21.9272","0.0012","90","","108.118","0.002","90","","7012.7","0.6","173","2","172.99","","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C8 H46 B18 N8 O70 V12 -","- C8 H46 B18 N8 O70 V12 -","- C32 H184 B72 N32 O280 V48 -","4","0.5","","Liu, Xinxin; Zhang, Dan; Li, Lingyun; Sun, Xuejiao; Zhang, Le; Yuan, Hongming","Proton conduction in a new 3-D open-framework vanadoborate with an abundant hydrogen bond system","Dalton Transactions","2017","46","28","9103","9109","10.1039/C7DT01334E","","","0.71073","MoKα","","0.054","0.0454","","","0.1128","0.1191","","","","","","1.035","","","","has coordinates,has disorder","282777","2023-04-20","11:56:46",""
"1546343","7.5017","0.0003","9.5304","0.0012","9.809","0.0006","65.533","0.005","74.971","0.004","83.42","0.005","616.46","0.09","295","","295","","","","","","","","","5","P -1","-P 1","2","","Catena-bis(mu3-Barbiturato-O,O,O')-(mu2-aqua)-aqua-barium(II)","","- C8 H10 Ba N4 O8 -","- C8 H10 Ba N4 O8 -","- C16 H20 Ba2 N8 O16 -","2","1","","L.A. Solovyov; N.N. Golovnev; M.S. Molokeev; M.K. Lesnikov","Bis(mu3-barbiturato-O,O,O')-(mu2-aqua)-aqua-barium(II): Crystal structure, spectroscopic and thermal properties","Journal of Coordination Chemistry","2017","70","12","1984","1993","10.1080/00958972.2017.1319943","powder diffraction","x-ray","1.5406","","","0.014","","","","","","","0.02224","1.13913","","","","","","","has coordinates","197916","2020-10-21","18:00:00",""
"1546346","11.0842","0.0013","11.0842","0.0013","18.299","0.003","90","","90","","90","","2248.2","0.5","298","2","298","2","","","","","","","","6","P -4 21 c","P -4 2n","114","","","","- C36 H40 Cl4 Fe4 N8 O10 -","- C36 H40 Cl4 Fe4 N8 O10 -","- C72 H80 Cl8 Fe8 N16 O20 -","2","0.25","","Zhang, Ming; Yang, Tao; Wang, Zhenxing; Ma, Xiong-Feng; Zhang, Yuexing; Greer, Samuel M.; Stoian, Sebastian A.; Ouyang, Zhongwen; Nojiri, Hiroyuki; Kurmoo, Mohamedally; Zeng, Ming-Hua","Chemical Reaction within a Compact Non-Porous Crystal Containing Molecular Clusters without Lost of Crystallinity","Chem. Sci.","2017","","","","","10.1039/C7SC01041A","","","0.71073","MoKα","","0.0625","0.0484","","","0.1315","0.1505","","","","","","1.145","","","","has coordinates","197953","2020-10-21","18:00:00",""
"1546347","10.96009","0.00019","10.96009","0.00019","18.3921","0.0006","90","","90","","90","","2209.32","0.09","298","2","298","2","","","","","","","","6","P -4 21 c","P -4 2n","114","","","","- C36 H40 Cl4 Fe4 N8 O10 -","- C36 H40 Cl4 Fe4 N8 O10 -","- C72 H80 Cl8 Fe8 N16 O20 -","2","0.25","","Zhang, Ming; Yang, Tao; Wang, Zhenxing; Ma, Xiong-Feng; Zhang, Yuexing; Greer, Samuel M.; Stoian, Sebastian A.; Ouyang, Zhongwen; Nojiri, Hiroyuki; Kurmoo, Mohamedally; Zeng, Ming-Hua","Chemical Reaction within a Compact Non-Porous Crystal Containing Molecular Clusters without Lost of Crystallinity","Chem. Sci.","2017","","","","","10.1039/C7SC01041A","","","0.71073","MoKα","","0.0631","0.0479","","","0.1116","0.1243","","","","","","1.1","","","","has coordinates","197953","2020-10-21","18:00:00",""
"1546348","11.148","0.002","11.148","0.002","19.893","0.004","90","","90","","90","","2472.3","0.8","298","2","298","2","","","","","","","","6","P -4 21 c","P -4 2n","114","","","","- C40 H52 Cl4 Fe4 N8 O8 -","- C40 H52 Cl4 Fe4 N8 O8 -","- C80 H104 Cl8 Fe8 N16 O16 -","2","0.25","","Zhang, Ming; Yang, Tao; Wang, Zhenxing; Ma, Xiong-Feng; Zhang, Yuexing; Greer, Samuel M.; Stoian, Sebastian A.; Ouyang, Zhongwen; Nojiri, Hiroyuki; Kurmoo, Mohamedally; Zeng, Ming-Hua","Chemical Reaction within a Compact Non-Porous Crystal Containing Molecular Clusters without Lost of Crystallinity","Chem. Sci.","2017","","","","","10.1039/C7SC01041A","","","0.71073","MoKα","","0.0357","0.0322","","","0.08","0.0819","","","","","","1.067","","","","has coordinates","197953","2020-10-21","18:00:00",""
"1546349","15.4001","0.0002","15.4001","0.0002","15.3253","0.0004","90","","90","","90","","3634.6","0.12","180.01","0.1","180.01","0.1","","","","","","","","5","I -4 2 d","I -4 2bw","122","","","","- C44 H8 F20 N4 Ni -","- C44 H8 F20 N4 Ni -","- C176 H32 F80 N16 Ni4 -","4","0.25","","Wu, Zhuo-Yan; Wang, Teng; Meng, Yin-Shan; Rao, Yu; Gao, Song; Zheng, Jie; Wang, Bing-Wu; Zhang, Jun-Long","Enhancing the Reactivity of Nickel(II) in Hydrogen Evolution Reactions (HER) by β-Hydrogenation of Porphyrinoid Ligands","Chem. Sci.","2017","","","","","10.1039/C7SC02073B","","","0.71073","MoKα","","0.0432","0.0353","","","0.0874","0.0933","","","","","","1.098","","","","has coordinates","197954","2020-10-21","18:00:00",""
"1546350","15.3093","0.0002","15.3093","0.0002","15.8346","0.0004","90","","90","","90","","3711.23","0.12","180","0.2","180","0.2","","","","","","","","6","I 41/a","-I 4ad","88","","","","- C43 H3 F20 N4 Ni O2 -","- C43 H3 F20 N4 Ni O2 -","- C172 H12 F80 N16 Ni4 O8 -","4","","","Wu, Zhuo-Yan; Wang, Teng; Meng, Yin-Shan; Rao, Yu; Gao, Song; Zheng, Jie; Wang, Bing-Wu; Zhang, Jun-Long","Enhancing the Reactivity of Nickel(II) in Hydrogen Evolution Reactions (HER) by β-Hydrogenation of Porphyrinoid Ligands","Chem. Sci.","2017","","","","","10.1039/C7SC02073B","","x-ray","0.71073","MoKα","","0.0374","0.0366","","","0.1056","0.1064","","","","","","1.048","","","","has coordinates,has disorder","197954","2020-10-21","18:00:00",""
"1546351","20.0377","0.0005","20.0377","0.0005","24.6135","0.0009","90","","90","","120","","8558.5","0.4","179.9","0.4","179.9","0.4","","","","","","","","6","R -3","-R 3","148","","","","- C43 H5 F20 N4 Ni O2 -","- C43 H5 F20 N4 Ni O2 -","- C387 H45 F180 N36 Ni9 O18 -","9","","","Wu, Zhuo-Yan; Wang, Teng; Meng, Yin-Shan; Rao, Yu; Gao, Song; Zheng, Jie; Wang, Bing-Wu; Zhang, Jun-Long","Enhancing the Reactivity of Nickel(II) in Hydrogen Evolution Reactions (HER) by β-Hydrogenation of Porphyrinoid Ligands","Chem. Sci.","2017","","","","","10.1039/C7SC02073B","","x-ray","0.71073","MoKα","","0.0756","0.0634","","","0.1342","0.1418","","","","","","1.161","","","","has coordinates,has disorder","197954","2020-10-21","18:00:00",""
"1546353","7.2912","0.0009","8.1947","0.001","9.5912","0.0011","106.422","0.003","100.106","0.004","113.184","0.003","477.83","0.1","150","","150","","","","","","","","synthesis as described","5","P -1","-P 1","2","","","","- C18 H14 Mn2 N4 O6 -","- C18 H14 Mn2 N4 O6 -","- C18 H14 Mn2 N4 O6 -","1","0.5","","Bruneau-Voisine, Antoine; Wang, Ding; Dorcet, Vincent; Roisnel, Thierry; Darcel, Christophe; Sortais, Jean-Baptiste","Transfer Hydrogenation of Carbonyl Derivatives Catalyzed by an Inexpensive Phosphine-Free Manganese Precatalyst.","Organic letters","2017","19","13","3656","3659","10.1021/acs.orglett.7b01657","","x-ray","0.71073","MoKα","","0.028","0.0262","","","0.0982","0.1075","","","","","","1.373","","","","has coordinates","200733","2020-10-21","18:00:00",""
"1546354","6.3432","0.0002","12.8646","0.0006","20.0976","0.0008","90","","90","","90","","1640.02","0.11","298","","298","","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C13 H15 F3 N2 O4 S2 -","- C13 H15 F3 N2 O4 S2 -","- C52 H60 F12 N8 O16 S8 -","4","1","","Luo, Jie; Liu, Yannan; Zhao, Xiaodan","Chiral Selenide-Catalyzed Enantioselective Construction of Saturated Trifluoromethylthiolated Azaheterocycles","Organic Letters","2017","","","","","10.1021/acs.orglett.7b01392","","","0.71073","MoKα","","0.0568","0.0488","","","0.1125","0.1172","","","","","","1.0667","","","","has coordinates","278046","2022-09-21","15:45:40",""
"1546355","14.885","0.006","20.472","0.007","18.004","0.007","90","","91.102","0.013","90","","5485","4","100","2","100","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C47 H82 N8 O13 -","- C47 H82 N8 O13 -","- C188 H328 N32 O52 -","4","2","","Reja, Rahi M.; Sunny, Sereena; Gopi, Hosahudya N.","Chemoselective Nitrile Oxide-Alkyne 1,3-Dipolar Cycloaddition Reactions from Nitroalkane-Tethered Peptides.","Organic letters","2017","19","13","3572","3575","10.1021/acs.orglett.7b01498","","","0.71073","MoKα","","0.4006","0.114","","","0.2096","0.3162","","","","","","0.919","","","","has coordinates","199591","2020-10-21","18:00:00",""
"1546356","9.289","0.004","20.701","0.008","10.602","0.006","90","","115.928","0.01","90","","1833.5","1.5","296","2","296","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C14 H26 N2 O6 -","- C14 H26 N2 O6 -","- C56 H104 N8 O24 -","4","2","","Reja, Rahi M.; Sunny, Sereena; Gopi, Hosahudya N.","Chemoselective Nitrile Oxide-Alkyne 1,3-Dipolar Cycloaddition Reactions from Nitroalkane-Tethered Peptides.","Organic letters","2017","19","13","3572","3575","10.1021/acs.orglett.7b01498","","","0.71073","MoKα","","0.2068","0.0713","","","0.1463","0.2022","","","","","","0.91","","","","has coordinates","199591","2020-10-21","18:00:00",""
"1546357","37.565","0.003","20.3058","0.0016","22.5109","0.0018","90","","118.616","0.002","90","","15074","2","100","2","100.15","","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","[K(Kryptofix-2,2,2)][mBDCA-5t-5H]","","- C66 H101 K N10 O12 -","- C66 H101 K N10 O12 -","- C528 H808 K8 N80 O96 -","8","1","","Zhang, Shiyu; Nava, Matthew Jordan; Chow, Gary; Lopez, Nazario; Wu, Gang; Britt, R. David; Nocera, Daniel G.; Cummins, Christopher","On the incompatibility of lithium-O2 battery technology with CO2","Chem. Sci.","2017","","","","","10.1039/C7SC01230F","","","0.71073","MoKα","","0.0924","0.0552","","","0.1441","0.1568","","","","","","1.103","","","","has coordinates","198020","2020-10-21","18:00:00",""
"1546358","12.5747","0.0019","7.0541","0.0012","24.349","0.004","90","","90.098","0.008","90","","2159.8","0.6","123","2","123","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","Me-TAxEDA","","","- C21 H33 Al2 N O -","- C21 H33 Al2 N O -","- C84 H132 Al8 N4 O4 -","4","1","","Ferrier, Robert; Imbrogno, Jennifer; Rodriguez, Christina; Chwatko, Malgorzata; Meyer, Paul William; Lynd, Nathaniel A.","Four-fold increase in epoxide polymerization rate with change of alkyl-substitution on mono-µ-oxo-dialuminum initiators","Polym. Chem.","2017","","","","","10.1039/C7PY00894E","","","0.71073","MoKα","","0.1208","0.0585","","","0.1084","0.1273","","","","","","0.99","","","","has coordinates","198026","2020-10-21","18:00:00",""
"1546359","21.17","0.004","13.038","0.003","28.359","0.006","90","","110.776","0.004","90","","7319","3","123","2","123","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","isobutyl-TAxEDA","tri(isobutyl)aluminum adduct of (2-dibenzylamino)ethoxy-di(isobutyl)aluminum","","- C36 H63 Al2 N O -","- C36 H63 Al2 N O -","- C288 H504 Al16 N8 O8 -","8","2","","Ferrier, Robert; Imbrogno, Jennifer; Rodriguez, Christina; Chwatko, Malgorzata; Meyer, Paul William; Lynd, Nathaniel A.","Four-fold increase in epoxide polymerization rate with change of alkyl-substitution on mono-µ-oxo-dialuminum initiators","Polym. Chem.","2017","","","","","10.1039/C7PY00894E","","","0.71073","MoKα","","0.1319","0.0928","","","0.2097","0.2279","","","","","","1.085","","","","has coordinates","198026","2020-10-21","18:00:00",""
"1546361","19.5843","0.001","20.1047","0.001","31.3508","0.0018","84.483","0.003","72.593","0.003","63.99","0.002","10576.8","1","173","","173.01","","","","","","","","","6","P -1","-P 1","2","","","","- C168 H202 Ag24 P2 Pd S18 -","- C192 H179 Ag24 P2 Pd S18 -","- C384 H358 Ag48 P4 Pd2 S36 -","2","1","","Liu, Xu; Yuan, Jinyun; Yao, Chuanhao; Chen, Jishi; Li, Lingling; Bao, Xiaoli; Yang, Jinlong; Wu, Zhikun","Crystal and Solution Photoluminescence of MAg24(SR)18 (M = Ag/Pd/Pt/Au) Nanoclusters and Some Implications for the Photoluminescence Mechanisms","The Journal of Physical Chemistry C","2017","121","25","13848","","10.1021/acs.jpcc.7b01730","","","1.54178","CuKα","","0.168","0.1465","","","0.4139","0.4417","","","","","","1.861","","","","has coordinates","198422","2020-10-21","18:00:00",""
"1546362","11.629","0.008","12.235","0.008","5.656","0.004","90","","90","","90","","804.7","1","293","2","293","2","","","","","","","","3","P n a 21","P 2c -2n","33","","","","- C9 H12 O2 -","- C9 H12 O2 -","- C36 H48 O8 -","4","1","","Xie, Changmin; Luo, Jisheng; Zhang, Yan; Zhu, Lili; Hong, Ran","A Chiral Pentenolide-Based Unified Strategy toward Dihydrocorynantheal, Dihydrocorynantheol, Protoemetine, Protoemetinol, and Yohimbane.","Organic letters","2017","19","13","3592","3595","10.1021/acs.orglett.7b01573","","","0.71073","MoKα","","0.0834","0.0724","","","0.1755","0.184","","","","","","1.079","","","","has coordinates","200737","2020-10-21","18:00:00",""
"1546363","6.823","0.0019","7.936","0.002","14.34","0.004","90","","97.758","0.007","90","","769.4","0.4","293","2","293","2","","","","","","","","3","P 1 21 1","P 2yb","4","","","","- C19 H22 N2 -","- C19 H22 N2 -","- C38 H44 N4 -","2","1","","Xie, Changmin; Luo, Jisheng; Zhang, Yan; Zhu, Lili; Hong, Ran","A Chiral Pentenolide-Based Unified Strategy toward Dihydrocorynantheal, Dihydrocorynantheol, Protoemetine, Protoemetinol, and Yohimbane.","Organic letters","2017","19","13","3592","3595","10.1021/acs.orglett.7b01573","","","0.71073","MoKα","","0.0767","0.0551","","","0.1155","0.1263","","","","","","1.036","","","","has coordinates","200737","2020-10-21","18:00:00",""
"1546364","20.168","0.002","20.168","0.002","11.2557","0.0012","90","","90","","120","","3964.9","0.7","296","2","296.15","","","","","","","","","3","P 32","P 32","145","","","","- C20 H26 N2 -","- C20 H26 N2 -","- C180 H234 N18 -","9","3","","Xie, Changmin; Luo, Jisheng; Zhang, Yan; Zhu, Lili; Hong, Ran","A Chiral Pentenolide-Based Unified Strategy toward Dihydrocorynantheal, Dihydrocorynantheol, Protoemetine, Protoemetinol, and Yohimbane.","Organic letters","2017","19","13","3592","3595","10.1021/acs.orglett.7b01573","","","0.71073","MoKα","","0.136","0.0526","","","0.126","0.1656","","","","","","0.96","","","","has coordinates","200737","2020-10-21","18:00:00",""
"1546365","7.30355","0.00009","7.30355","0.00009","7.30355","0.00009","90","","90","","90","","389.585","0.008","","","300","","","","","","","","","5","I m -3","-I 2 2 3","204","Ca0.8Sr0.2Cu3Fe4O12 at 300 K","","","- Ca0.8 Cu3 Fe4 O12 Sr0.2 -","- Ca0.8 Cu3 Fe4 O12 Sr0.2 -","- Ca1.6 Cu6 Fe8 O24 Sr0.4 -","2","0.0416667","","Yamada, I.; Shiro, K.; Hayashi, N.; Kawaguchi, S.; Kawakami, T.; Takahashi, R.; Irifune, T.","Structural and electronic transformations in quadruple iron perovskite Ca1-xSrxCu3Fe4O12","Journal of Asian Ceramic Societies","2017","175","","5","169","","","","","","","","","","","","","","","","","","","","","","has coordinates","198058","2020-10-21","18:00:00",""
"1546366","7.2763","0.00006","7.2763","0.00006","7.2763","0.00006","90","","90","","90","","385.24","0.006","","","20","","","","","","","","","5","P n -3","-P 2ab 2bc 3","201","Ca0.8Sr0.2Cu3Fe4O12 at 20 K","","","- Ca0.8 Cu3 Fe4 O12 Sr0.2 -","- Ca0.8 Cu3 Fe4 O12 Sr0.2 -","- Ca1.6 Cu6 Fe8 O24 Sr0.4 -","2","","","Yamada, I.; Shiro, K.; Hayashi, N.; Kawaguchi, S.; Kawakami, T.; Takahashi, R.; Irifune, T.","Structural and electronic transformations in quadruple iron perovskite Ca1-xSrxCu3Fe4O12","Journal of Asian Ceramic Societies","2017","175","","5","169","","","","","","","","","","","","","","","","","","","","","","has coordinates","198059","2020-10-21","18:00:00",""
"1546367","7.31708","0.00017","7.31708","0.00017","7.31708","0.00017","90","","90","","90","","391.754","0.016","","","300","","","","","","","","","5","I m -3","-I 2 2 3","204","Ca0.6Sr0.4Cu3Fe4O12 at 300 K","","","- Ca0.6 Cu3 Fe4 O12 Sr0.4 -","- Ca0.6 Cu3 Fe4 O12 Sr0.4 -","- Ca1.2 Cu6 Fe8 O24 Sr0.8 -","2","0.0416667","","Yamada, I.; Shiro, K.; Hayashi, N.; Kawaguchi, S.; Kawakami, T.; Takahashi, R.; Irifune, T.","Structural and electronic transformations in quadruple iron perovskite Ca1-xSrxCu3Fe4O12","Journal of Asian Ceramic Societies","2017","175","","5","169","","","","","","","","","","","","","","","","","","","","","","has coordinates","198060","2020-10-21","18:00:00",""
"1546368","7.2942","0.0007","7.2942","0.0007","7.2942","0.0007","90","","90","","90","","388.09","0.06","","","20","","","","","","","","","5","I m -3","-I 2 2 3","204","Ca0.6Sr0.4Cu3Fe4O12 at 20 K","","","- Ca0.6 Cu3 Fe4 O12 Sr0.4 -","- Ca0.6 Cu3 Fe4 O12 Sr0.4 -","- Ca1.2 Cu6 Fe8 O24 Sr0.8 -","2","0.0416667","","Yamada, I.; Shiro, K.; Hayashi, N.; Kawaguchi, S.; Kawakami, T.; Takahashi, R.; Irifune, T.","Structural and electronic transformations in quadruple iron perovskite Ca1-xSrxCu3Fe4O12","Journal of Asian Ceramic Societies","2017","175","","5","169","","","","","","","","","","","","","","","","","","","","","","has coordinates","198061","2020-10-21","18:00:00",""
"1546369","7.33013","0.00014","7.33013","0.00014","7.33013","0.00014","90","","90","","90","","393.854","0.013","","","300","","","","","","","","","5","I m -3","-I 2 2 3","204","Ca0.4Sr0.6Cu3Fe4O12 at 300 K","","","- Ca0.4 Cu3 Fe4 O12 Sr0.6 -","- Ca0.6 Cu3 Fe4 O12 Sr0.4 -","- Ca1.2 Cu6 Fe8 O24 Sr0.8 -","2","0.0416667","","Yamada, I.; Shiro, K.; Hayashi, N.; Kawaguchi, S.; Kawakami, T.; Takahashi, R.; Irifune, T.","Structural and electronic transformations in quadruple iron perovskite Ca1-xSrxCu3Fe4O12","Journal of Asian Ceramic Societies","2017","175","","5","169","","","","","","","","","","","","","","","","","","","","","","has coordinates","198062","2020-10-21","18:00:00",""
"1546370","7.3364","0.00015","7.3364","0.00015","7.3364","0.00015","90","","90","","90","","394.865","0.014","","","20","","","","","","","","","5","I m -3","-I 2 2 3","204","Ca0.4Sr0.6Cu3Fe4O12 at 20 K","","","- Ca0.4 Cu3 Fe4 O12 Sr0.6 -","- Ca0.6 Cu3 Fe4 O12 Sr0.4 -","- Ca1.2 Cu6 Fe8 O24 Sr0.8 -","2","0.0416667","","Yamada, I.; Shiro, K.; Hayashi, N.; Kawaguchi, S.; Kawakami, T.; Takahashi, R.; Irifune, T.","Structural and electronic transformations in quadruple iron perovskite Ca1-xSrxCu3Fe4O12","Journal of Asian Ceramic Societies","2017","175","","5","169","","","","","","","","","","","","","","","","","","","","","","has coordinates","198063","2020-10-21","18:00:00",""
"1546371","7.34542","0.00015","7.34542","0.00015","7.34542","0.00015","90","","90","","90","","396.324","0.014","","","300","","","","","","","","","5","I m -3","-I 2 2 3","204","Ca0.2Sr0.8Cu3Fe4O12 at 300 K","","","- Ca0.2 Cu3 Fe4 O12 Sr0.8 -","- Ca0.6 Cu3 Fe4 O12 Sr0.4 -","- Ca1.2 Cu6 Fe8 O24 Sr0.8 -","2","0.0416667","","Yamada, I.; Shiro, K.; Hayashi, N.; Kawaguchi, S.; Kawakami, T.; Takahashi, R.; Irifune, T.","Structural and electronic transformations in quadruple iron perovskite Ca1-xSrxCu3Fe4O12","Journal of Asian Ceramic Societies","2017","175","","5","169","","","","","","","","","","","","","","","","","","","","","","has coordinates","198064","2020-10-21","18:00:00",""
"1546372","7.35387","0.00014","7.35387","0.00014","7.35387","0.00014","90","","90","","90","","397.693","0.013","","","20","","","","","","","","","5","I m -3","-I 2 2 3","204","Ca0.2Sr0.8Cu3Fe4O12 at 20 K","","","- Ca0.2 Cu3 Fe4 O12 Sr0.8 -","- Ca0.6 Cu3 Fe4 O12 Sr0.4 -","- Ca1.2 Cu6 Fe8 O24 Sr0.8 -","2","0.0416667","","Yamada, I.; Shiro, K.; Hayashi, N.; Kawaguchi, S.; Kawakami, T.; Takahashi, R.; Irifune, T.","Structural and electronic transformations in quadruple iron perovskite Ca1-xSrxCu3Fe4O12","Journal of Asian Ceramic Societies","2017","175","","5","169","","","","","","","","","","","","","","","","","","","","","","has coordinates","198065","2020-10-21","18:00:00",""
"1546373","7.99","0.003","12.475","0.004","14.539","0.005","94.821","0.01","94.404","0.009","108.372","0.009","1362.3","0.8","100","2","100","2","","","","","","","","4","P -1","-P 1","2","","","","- C34 H31 N4 O3 -","- C34 H31 N4 O3 -","- C68 H62 N8 O6 -","2","1","","Coman, Anca G.; Paraschivescu, Codruta C.; Paun, Anca; Diac, Andreea; Hădade, Niculina D.; Jouffret, Laurent; Gautier, Arnaud; Matache, Mihaela; Ionita, Petre","Synthesis of novel profluorescent nitroxides as dual luminescent-paramagnetic active probes","New Journal of Chemistry","2017","41","15","7472","7480","10.1039/C7NJ01698K","","","0.71073","MoKα","","0.0796","0.0437","","","0.0994","0.1163","","","","","","1.017","","","","has coordinates","282777","2023-04-20","11:56:46",""
"1546374","10.1299","0.001","8.6369","0.0008","15.8434","0.0015","90","","93.226","0.002","90","","1384","0.2","296","","296","","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C31 H28 Br2 O3 -","- C31 H28 Br2 O3 -","- C62 H56 Br4 O6 -","2","1","","Kotani, Shunsuke; Kai, Kosuke; Sugiura, Masaharu; Nakajima, Makoto","Sequential Catalysis of Phosphine Oxide for Stereoselective Synthesis of Stereopentads.","Organic letters","2017","19","13","3672","3675","10.1021/acs.orglett.7b01719","","","0.71075","MoKα","","0.1028","0.0593","","","0.1763","0.2072","","","","","","1.119","","","","has coordinates","200734","2020-10-21","18:00:00",""
"1546380","19.0662","0.001","5.923","0.0002","15.8955","0.0007","90","","110.623","0.006","90","","1680.03","0.14","293","2","293","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C21 H15 Br N2 -","- C21 H15 Br N2 -","- C84 H60 Br4 N8 -","4","1","","Tu, Yongliang; Zhang, Zhenming; Wang, Tao; Ke, Jiamei; Zhao, Junfeng","A Regioselective Approach to Trisubstituted Pyrazoles via Palladium-Catalyzed Oxidative Sonogashira-Carbonylation of Arylhydrazines","Organic Letters","2017","","","","","10.1021/acs.orglett.7b01447","","x-ray","0.71073","MoKα","","0.0724","0.0411","","","0.0954","0.1086","","","","","","1.04","","","","has coordinates","198122","2020-10-21","18:00:00",""
"1546381","10.4274","0.0009","11.0126","0.001","11.684","0.001","93.516","0.001","114.832","0.001","111.078","0.001","1099.88","0.17","100.15","","100.15","","","","","","","","","5","P -1","-P 1","2","","","","- C24 H28 N2 O4 S -","- C24 H28 N2 O4 S -","- C48 H56 N4 O8 S2 -","2","1","","Zhao, Quan-Qing; Chen, Jun; Yan, Dong-Mei; Chen, Jia-Rong; Xiao, Wen-Jing","Photocatalytic Hydrazonyl Radical-Mediated Radical Cyclization/Allylation Cascade: Synthesis of Dihydropyrazoles and Tetrahydropyridazines.","Organic letters","2017","19","13","3620","3623","10.1021/acs.orglett.7b01609","","","0.71073","MoKα","","0.0382","0.0343","","","0.0986","0.1028","","","","","","1.069","","","","has coordinates","200749","2020-10-21","18:00:00",""
"1546382","14.0717","0.001","10.0842","0.0006","15.323","0.0011","90","","110.408","0.002","90","","2037.9","0.2","296","2","296","2","","","","","","","","6","P 1 2/n 1","-P 2yac","13","","[tetrakis(mu~2~-thiobarbiturato-O,O')- bis(thiobarbiturato-O)-hexaaqua-disamarium]","","- C12 H15 N6 O9 S3 Sm -","- C12 H15 N6 O9 S3 Sm -","- C48 H60 N24 O36 S12 Sm4 -","4","1","","N.N. Golovnev; M.S. Molokeev; I.V. Sterkhova; S.N. Vereshchagin; I.I. Golovneva","Crystal structure and properties of polymeric hexaaqua-hexakis- (2-thiobarbiturato)-disamarium(III)","Journal of Structural Chemistry","2017","58","3","539","543","10.1134/S0022476617030155","","","0.71073","MoKα","","0.0328","0.0235","","","0.0504","0.0533","","","","","","1.043","","","","has coordinates","198139","2020-10-21","18:00:00",""
"1546384","12.9371","0.0009","7.5514","0.0005","14.3323","0.001","90","","93.205","0.003","90","","1397.98","0.17","100","2","100","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C12 H8 B F3 K N3 O2 -","- C12 H8 B F3 K N3 O2 -","- C48 H32 B4 F12 K4 N12 O8 -","4","1","","Landmann, Johannes; Hennig, Philipp T.; Ignat'ev, Nikolai; Finze, Maik","Borylation of Fluorinated Arenes with the Boron-centred Nucleophile B(CN)32− ‒ a Unique Entry to Aryltricyanoborates","Chem. Sci.","2017","","","","","10.1039/C7SC02249B","","","0.71073","MoKα","","0.0599","0.05","","","0.1167","0.126","","","","","","1.087","","","","has coordinates","198148","2020-10-21","18:00:00",""
"1546385","28.487","0.004","12.3676","0.0016","8.8225","0.0011","90","","94.05","0.005","90","","3100.5","0.7","100","2","100","2","","","","","","","","7","C 1 2 1","C 2y","5","","","","- C26 H16 B2 F8 K2 N6 O2 -","- C26 H16 B2 F8 K2 N6 O2 -","- C104 H64 B8 F32 K8 N24 O8 -","4","1","","Landmann, Johannes; Hennig, Philipp T.; Ignat'ev, Nikolai; Finze, Maik","Borylation of Fluorinated Arenes with the Boron-centred Nucleophile B(CN)32− ‒ a Unique Entry to Aryltricyanoborates","Chem. Sci.","2017","","","","","10.1039/C7SC02249B","","","0.71073","MoKα","","0.0368","0.0301","","","0.0588","0.0611","","","","","","1.038","","","","has coordinates","198148","2020-10-21","18:00:00",""
"1546386","7.231","0.0018","10.113","0.003","10.502","0.003","98.148","0.009","105.678","0.009","106.755","0.008","687.6","0.3","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","","","- C24 H34 B2 F2 N8 -","- C24 H34 B2 F2 N8 -","- C24 H34 B2 F2 N8 -","1","0.5","","Landmann, Johannes; Hennig, Philipp T.; Ignat'ev, Nikolai; Finze, Maik","Borylation of Fluorinated Arenes with the Boron-centred Nucleophile B(CN)32− ‒ a Unique Entry to Aryltricyanoborates","Chem. Sci.","2017","","","","","10.1039/C7SC02249B","","","0.71073","MoKα","","0.077","0.0458","","","0.1081","0.126","","","","","","0.984","","","","has coordinates","198148","2020-10-21","18:00:00",""
"1546387","41.3012","0.0011","8.4531","0.0002","46.0735","0.0011","90","","113.787","0.001","90","","14718.9","0.6","100","2","100","2","","","","","","","","7","C 1 2/c 1","-C 2yc","15","","","","- C52 H52.17 B6 F4 K6 N20 O8.01 -","- C52 H52.178 B6 F4 K6 N20 O8.009 -","- C416 H417.424 B48 F32 K48 N160 O64.072 -","8","1","","Landmann, Johannes; Hennig, Philipp T.; Ignat'ev, Nikolai; Finze, Maik","Borylation of Fluorinated Arenes with the Boron-centred Nucleophile B(CN)32− ‒ a Unique Entry to Aryltricyanoborates","Chem. Sci.","2017","","","","","10.1039/C7SC02249B","","","0.71073","MoKα","","0.0608","0.0457","","","0.125","0.1377","","","","","","1.052","","","","has coordinates,has disorder","198148","2020-10-21","18:00:00",""
"1546388","25.5118","0.0015","25.5118","0.0015","12.1914","0.0008","90","","90","","90","","7934.8","0.8","100","2","100","2","","","","","","","","7","I 41/a","-I 4ad","88","","","","- C14 H6 B2 F3 K2 N7 O -","- C14 H6 B2 F3 K2 N7 O -","- C224 H96 B32 F48 K32 N112 O16 -","16","","","Landmann, Johannes; Hennig, Philipp T.; Ignat'ev, Nikolai; Finze, Maik","Borylation of Fluorinated Arenes with the Boron-centred Nucleophile B(CN)32− ‒ a Unique Entry to Aryltricyanoborates","Chem. Sci.","2017","","","","","10.1039/C7SC02249B","","","0.71073","MoKα","","0.0933","0.0734","","","0.1464","0.1519","","","","","","1.272","","","","has coordinates,has disorder","198148","2020-10-21","18:00:00",""
"1546389","10.9629","0.0009","8.0873","0.0007","14.1771","0.001","90","","90","","90","","1256.95","0.17","100","2","100","2","","","","","","","","7","P n m a","-P 2ac 2n","62","","","","- C10 H3 B F4 K N3 O -","- C10 H3 B F4 K N3 O -","- C40 H12 B4 F16 K4 N12 O4 -","4","0.5","","Landmann, Johannes; Hennig, Philipp T.; Ignat'ev, Nikolai; Finze, Maik","Borylation of Fluorinated Arenes with the Boron-centred Nucleophile B(CN)32− ‒ a Unique Entry to Aryltricyanoborates","Chem. Sci.","2017","","","","","10.1039/C7SC02249B","","","0.71073","MoKα","","0.0483","0.0362","","","0.0934","0.0984","","","","","","1.072","","","","has coordinates","198148","2020-10-21","18:00:00",""
"1546390","10.0487","0.0006","18.9832","0.0012","22.2949","0.0013","90","","90","","90","","4252.9","0.4","100","2","100","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C16 B2 F8 K2 N8 -","- C16 B2 F8 K2 N8 -","- C128 B16 F64 K16 N64 -","8","1","","Landmann, Johannes; Hennig, Philipp T.; Ignat'ev, Nikolai; Finze, Maik","Borylation of Fluorinated Arenes with the Boron-centred Nucleophile B(CN)32− ‒ a Unique Entry to Aryltricyanoborates","Chem. Sci.","2017","","","","","10.1039/C7SC02249B","","","0.71073","MoKα","","0.0642","0.0575","","","0.147","0.1509","","","","","","1.134","","","","has coordinates","198148","2020-10-21","18:00:00",""
"1546391","9.0844","0.0006","9.8593","0.0006","12.0751","0.0008","91.429","0.002","109.254","0.002","90.945","0.002","1020.36","0.11","100","2","100","2","","","","","","","","6","P -1","-P 1","2","","","","- C18 H8 B2 F2 K2 N6 -","- C18 H8 B2 F2 K2 N6 -","- C36 H16 B4 F4 K4 N12 -","2","1","","Landmann, Johannes; Hennig, Philipp T.; Ignat'ev, Nikolai; Finze, Maik","Borylation of Fluorinated Arenes with the Boron-centred Nucleophile B(CN)32− ‒ a Unique Entry to Aryltricyanoborates","Chem. Sci.","2017","","","","","10.1039/C7SC02249B","","","0.71073","MoKα","","0.0335","0.0272","","","0.0645","0.0677","","","","","","1.037","","","","has coordinates","198148","2020-10-21","18:00:00",""
"1546392","11.1415","0.0011","12.3048","0.0012","7.4382","0.0007","90","","99.762","0.003","90","","1004.97","0.17","100","2","100","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C9 H3 B F2 K N3 -","- C9 H3 B F2 K N3 -","- C36 H12 B4 F8 K4 N12 -","4","1","","Landmann, Johannes; Hennig, Philipp T.; Ignat'ev, Nikolai; Finze, Maik","Borylation of Fluorinated Arenes with the Boron-centred Nucleophile B(CN)32− ‒ a Unique Entry to Aryltricyanoborates","Chem. Sci.","2017","","","","","10.1039/C7SC02249B","","","0.71073","MoKα","","0.0414","0.0317","","","0.078","0.0835","","","","","","1.055","","","","has coordinates","198148","2020-10-21","18:00:00",""
"1546393","9.8453","0.0007","10.0627","0.0007","13.4136","0.001","87.223","0.003","87.467","0.003","66.895","0.002","1220.4","0.15","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","","","- C20 B2 F8 K2 N8 -","- C20 B2 F8 K2 N8 -","- C40 B4 F16 K4 N16 -","2","1","","Landmann, Johannes; Hennig, Philipp T.; Ignat'ev, Nikolai; Finze, Maik","Borylation of Fluorinated Arenes with the Boron-centred Nucleophile B(CN)32− ‒ a Unique Entry to Aryltricyanoborates","Chem. Sci.","2017","","","","","10.1039/C7SC02249B","","","0.71073","MoKα","","0.0676","0.04","","","0.0721","0.0802","","","","","","1.009","","","","has coordinates","198148","2020-10-21","18:00:00",""
"1546394","7.7462","0.0005","16.7938","0.001","10.8073","0.0007","90","","90","","90","","1405.9","0.15","100","2","100","2","","","","","","","","5","I m a 2","I 2 -2a","46","","","","- C12 H13 B F3 N4 -","- C12 H12 B F3 N4 -","- C48 H48 B4 F12 N16 -","4","0.5","","Landmann, Johannes; Hennig, Philipp T.; Ignat'ev, Nikolai; Finze, Maik","Borylation of Fluorinated Arenes with the Boron-centred Nucleophile B(CN)32− ‒ a Unique Entry to Aryltricyanoborates","Chem. Sci.","2017","","","","","10.1039/C7SC02249B","","","0.71073","MoKα","","0.0325","0.0287","","","0.0659","0.0686","","","","","","1.03","","","","has coordinates","198148","2020-10-21","18:00:00",""
"1546395","7.4212","0.0004","21.5366","0.0012","7.4276","0.0004","90","","118.496","0.002","90","","1043.31","0.1","100","2","100","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C9 H2 B F3 K N3 -","- C9 H2 B F3 K N3 -","- C36 H8 B4 F12 K4 N12 -","4","1","","Landmann, Johannes; Hennig, Philipp T.; Ignat'ev, Nikolai; Finze, Maik","Borylation of Fluorinated Arenes with the Boron-centred Nucleophile B(CN)32− ‒ a Unique Entry to Aryltricyanoborates","Chem. Sci.","2017","","","","","10.1039/C7SC02249B","","","0.71073","MoKα","","0.0313","0.0272","","","0.0638","0.0657","","","","","","1.087","","","","has coordinates","198148","2020-10-21","18:00:00",""
"1546396","11.3175","0.001","12.5441","0.0011","7.3312","0.0006","90","","100.954","0.004","90","","1021.83","0.15","100","2","100","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C9 H4 B F K N3 -","- C9 H4 B F K N3 -","- C36 H16 B4 F4 K4 N12 -","4","1","","Landmann, Johannes; Hennig, Philipp T.; Ignat'ev, Nikolai; Finze, Maik","Borylation of Fluorinated Arenes with the Boron-centred Nucleophile B(CN)32− ‒ a Unique Entry to Aryltricyanoborates","Chem. Sci.","2017","","","","","10.1039/C7SC02249B","","","0.71073","MoKα","","0.051","0.0369","","","0.082","0.0876","","","","","","1.063","","","","has coordinates","198148","2020-10-21","18:00:00",""
"1546397","9.2925","0.0005","13.987","0.0007","19.7322","0.001","103.804","0.002","92.966","0.002","107.242","0.002","2357.9","0.2","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","","","- C28 H40 B2 F4 N8 -","- C28 H40 B2 F4 N8 -","- C84 H120 B6 F12 N24 -","3","1.5","","Landmann, Johannes; Hennig, Philipp T.; Ignat'ev, Nikolai; Finze, Maik","Borylation of Fluorinated Arenes with the Boron-centred Nucleophile B(CN)32− ‒ a Unique Entry to Aryltricyanoborates","Chem. Sci.","2017","","","","","10.1039/C7SC02249B","","","0.71073","MoKα","","0.1144","0.0624","","","0.1478","0.1745","","","","","","1.03","","","","has coordinates,has disorder","198148","2020-10-21","18:00:00",""
"1546398","7.2218","0.0004","7.3375","0.0004","11.5902","0.0007","100.165","0.002","95.64","0.002","116.645","0.002","529.22","0.05","100","2","100","2","","","","","","","","6","P -1","-P 1","2","","","","- C9 H3 B F2 K N3 -","- C9 H3 B F2 K N3 -","- C18 H6 B2 F4 K2 N6 -","2","1","","Landmann, Johannes; Hennig, Philipp T.; Ignat'ev, Nikolai; Finze, Maik","Borylation of Fluorinated Arenes with the Boron-centred Nucleophile B(CN)32− ‒ a Unique Entry to Aryltricyanoborates","Chem. Sci.","2017","","","","","10.1039/C7SC02249B","","","0.71073","MoKα","","0.0415","0.0389","","","0.1042","0.1059","","","","","","1.078","","","","has coordinates","198148","2020-10-21","18:00:00",""
"1546399","7.3664","0.0011","21.174","0.003","7.39","0.0011","90","","117.188","0.004","90","","1025.3","0.3","100","2","100","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C9 H3 B F2 K N3 -","- C9 H3 B F2 K N3 -","- C36 H12 B4 F8 K4 N12 -","4","1","","Landmann, Johannes; Hennig, Philipp T.; Ignat'ev, Nikolai; Finze, Maik","Borylation of Fluorinated Arenes with the Boron-centred Nucleophile B(CN)32− ‒ a Unique Entry to Aryltricyanoborates","Chem. Sci.","2017","","","","","10.1039/C7SC02249B","","","0.71073","MoKα","","0.0469","0.0336","","","0.0733","0.0784","","","","","","1.053","","","","has coordinates","198148","2020-10-21","18:00:00",""
"1546400","7.1368","0.0004","21.0081","0.0011","6.8083","0.0003","90","","90.83","0.002","90","","1020.67","0.09","100","2","100","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C9 H2 B F3 K N3 -","- C9 H2 B F3 K N3 -","- C36 H8 B4 F12 K4 N12 -","4","1","","Landmann, Johannes; Hennig, Philipp T.; Ignat'ev, Nikolai; Finze, Maik","Borylation of Fluorinated Arenes with the Boron-centred Nucleophile B(CN)32− ‒ a Unique Entry to Aryltricyanoborates","Chem. Sci.","2017","","","","","10.1039/C7SC02249B","","","0.71073","MoKα","","0.0353","0.0284","","","0.0616","0.0647","","","","","","1.051","","","","has coordinates","198148","2020-10-21","18:00:00",""
"1546401","12.5972","0.0007","32.4417","0.0017","16.9137","0.0009","90","","92.82","0.003","90","","6903.8","0.6","100","2","100","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C56 H32 B4 F28 K4 N12 O4 -","- C56 H32 B4 F28 K4 N12 O4 -","- C224 H128 B16 F112 K16 N48 O16 -","4","1","","Landmann, Johannes; Hennig, Philipp T.; Ignat'ev, Nikolai; Finze, Maik","Borylation of Fluorinated Arenes with the Boron-centred Nucleophile B(CN)32− ‒ a Unique Entry to Aryltricyanoborates","Chem. Sci.","2017","","","","","10.1039/C7SC02249B","","","0.71073","MoKα","","0.1433","0.0552","","","0.0998","0.1311","","","","","","1.009","","","","has coordinates,has disorder","198148","2020-10-21","18:00:00",""
"1546404","19.532","0.002","22.819","0.003","16.8357","0.0018","90","","113.707","0.002","90","","6870.5","1.4","102","","102.02","","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C45.5 H38.5 Cl1.5 -","- C45.5 H38.5 Cl1.5 -","- C364 H308 Cl12 -","8","2","","Ou, Chang-Jin; Ding, Xue-Hua; Li, Yin-Xiang; Zhu, Can; Yu, Meng-Na; Xie, Ling-Hai; Lin, Jin-Yi; Xu, Chun-Xiang; Huang, Wei","Conformational Effect of Polymorphic Terfluorene on Photophysics, Crystal Morphologies, and Lasing Behaviors","The Journal of Physical Chemistry C","2017","121","27","14803","","10.1021/acs.jpcc.7b03366","","x-ray","0.71073","MoKα","","0.0734","0.0492","","","0.1147","0.1297","","","","","","1.026","","","","has coordinates","200717","2020-10-21","18:00:00",""
"1546405","8.4658","0.0011","16.207","0.002","23.382","0.003","90","","93.382","0.003","90","","3202.5","0.7","295","","294.93","","","","","","","","","2","P 1 21/n 1","-P 2yn","14","","","","- C45 H38 -","- C45 H38 -","- C180 H152 -","4","1","","Ou, Chang-Jin; Ding, Xue-Hua; Li, Yin-Xiang; Zhu, Can; Yu, Meng-Na; Xie, Ling-Hai; Lin, Jin-Yi; Xu, Chun-Xiang; Huang, Wei","Conformational Effect of Polymorphic Terfluorene on Photophysics, Crystal Morphologies, and Lasing Behaviors","The Journal of Physical Chemistry C","2017","121","27","14803","","10.1021/acs.jpcc.7b03366","","x-ray","0.71073","MoKα","","0.0793","0.0595","","","0.1528","0.1669","","","","","","1.055","","","","has coordinates","200717","2020-10-21","18:00:00",""
"1546406","8.6787","0.0008","23.1736","0.0019","16.1895","0.0014","90","","90","","90","","3256","0.5","298","","298.41","","","","","","","","","2","P b c n","-P 2n 2ab","60","","","","- C45 H38 -","- C45 H38 -","- C180 H152 -","4","0.5","","Ou, Chang-Jin; Ding, Xue-Hua; Li, Yin-Xiang; Zhu, Can; Yu, Meng-Na; Xie, Ling-Hai; Lin, Jin-Yi; Xu, Chun-Xiang; Huang, Wei","Conformational Effect of Polymorphic Terfluorene on Photophysics, Crystal Morphologies, and Lasing Behaviors","The Journal of Physical Chemistry C","2017","121","27","14803","","10.1021/acs.jpcc.7b03366","","x-ray","0.71073","MoKα","","0.0708","0.0459","","","0.1008","0.1123","","","","","","1.053","","","","has coordinates","200717","2020-10-21","18:00:00",""
"1546407","10.5047","0.0008","14.9725","0.0011","27.75","0.002","90","","90","","90","","4364.6","0.6","113","2","113","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C24 H12 Br4 N2 -","- C24 H12 Br4 N2 -","- C192 H96 Br32 N16 -","8","1","","Yuan, Yuan; Huang, Hongliang; Chen, Long; Chen, Yulan","N,N′-Bicarbazole: A Versatile Building Block toward the Construction of Conjugated Porous Polymers for CO2 Capture and Dyes Adsorption","Macromolecules","2017","","","","","10.1021/acs.macromol.7b00971","","","0.71073","MoKα","","0.0309","0.0207","","","0.0475","0.0486","","","","","","0.919","","","","has coordinates","198177","2020-10-21","18:00:00",""
"1546408","8.174","0.0012","13.0525","0.0018","19.466","0.003","90","","90","","90","","2076.8","0.5","293","2","293","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C22 H27 N O Si -","- C22 H27 N O Si -","- C88 H108 N4 O4 Si4 -","4","1","","Xiong, Meijun; Xie, Xin; Liu, Yuanhong","Copper-Catalyzed Borylative Cyclization of in Situ Generated o-Allenylaryl Nitriles with Bis(pinacolato)diboron.","Organic letters","2017","19","13","3398","3401","10.1021/acs.orglett.7b01355","","","0.71073","MoKα","","0.06","0.0489","","","0.1124","0.1183","","","","","","1.042","","","","has coordinates","200739","2020-10-21","18:00:00",""
"1546409","20.188","0.003","10.6143","0.0018","13.479","0.002","90","","91.456","0.004","90","","2887.4","0.8","130","2","130","","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C32 H40 B N O3 Si -","- C32 H40 B N O3 Si -","- C128 H160 B4 N4 O12 Si4 -","4","1","","Xiong, Meijun; Xie, Xin; Liu, Yuanhong","Copper-Catalyzed Borylative Cyclization of in Situ Generated o-Allenylaryl Nitriles with Bis(pinacolato)diboron.","Organic letters","2017","19","13","3398","3401","10.1021/acs.orglett.7b01355","","","0.71073","MoKα","","0.168","0.0987","","","0.2578","0.3189","","","","","","1.032","","","","has coordinates","200739","2020-10-21","18:00:00",""
"1546410","7.1912","0.0008","28.323","0.002","9.0175","0.001","90","","110.259","0.009","90","","1723","0.3","223","2","223","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","[Triaquahypodiphosphatocalcium](1,4,7,10,13,16-hexa?oxa?cyclo?octa?decane-?6)","","- C6 H22 Ca O13 P2 -","- C6 H22 Ca O13 P2 -","- C24 H88 Ca4 O52 P8 -","4","1","","Edwards, Alyn C.; Geist, Andreas; Müllich, Udo; Sharrad, Clint A.; Pritchard, Robin G.; Whitehead, Roger C.; Harwood, Laurence M.","Transition metal-free, visible-light mediated synthesis of 1,10-phenanthroline derived ligand systems","Chemical Communications","2017","53","58","8160","8163","10.1039/C7CC03903D","","","0.71069","MoKα","","0.04","0.0347","","","0.0868","0.0901","","","","","","1.088","","","","has coordinates","282777","2023-04-20","11:56:46",""
"1546411","17.8264","0.0008","15.4605","0.0004","19.2829","0.0009","90","","113.954","0.005","90","","4856.7","0.4","150","","150","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C54.3 H66.67 N8 O2.03 -","- C54.303 H66.674 N8 O2.034 -","- C217.212 H266.696 N32 O8.136 -","4","1","","Edwards, Alyn C.; Geist, Andreas; Müllich, Udo; Sharrad, Clint A.; Pritchard, Robin G.; Whitehead, Roger C.; Harwood, Laurence M.","Transition metal-free, visible-light mediated synthesis of 1,10-phenanthroline derived ligand systems","Chemical Communications","2017","53","58","8160","8163","10.1039/C7CC03903D","","x-ray","0.71073","MoKα","","0.1275","0.0741","","","0.1937","0.2234","","","","","","1.022","","","","has coordinates,has disorder","282777","2023-04-20","11:56:46",""
"1546412","10.6829","0.0005","11.9538","0.0005","17.4933","0.0008","88.385","0.003","77.936","0.003","70.385","0.003","2055.67","0.17","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","4,7-Me-CyMe4-BTPhen Eu(NO3)3 Complex","","- C38 H45 Eu N12 O9 -","- C38 H45 Eu N12 O9 -","- C76 H90 Eu2 N24 O18 -","2","1","","Edwards, Alyn C.; Geist, Andreas; Müllich, Udo; Sharrad, Clint A.; Pritchard, Robin G.; Whitehead, Roger C.; Harwood, Laurence M.","Transition metal-free, visible-light mediated synthesis of 1,10-phenanthroline derived ligand systems","Chemical Communications","2017","53","58","8160","8163","10.1039/C7CC03903D","","","1.54178","CuKα","","0.0353","0.032","","","0.0813","0.0834","","","","","","0.984","","","","has coordinates","282777","2023-04-20","11:56:46",""
"1546413","16.9253","0.0009","8.6647","0.0005","23.1992","0.0012","90","","98.832","0.004","90","","3361.9","0.3","100","2","100","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","4,7-Me-CyMe4-BTPhen","","- C37 H48 N8 O2 -","- C37 H48 N8 O2 -","- C148 H192 N32 O8 -","4","1","","Edwards, Alyn C.; Geist, Andreas; Müllich, Udo; Sharrad, Clint A.; Pritchard, Robin G.; Whitehead, Roger C.; Harwood, Laurence M.","Transition metal-free, visible-light mediated synthesis of 1,10-phenanthroline derived ligand systems","Chemical Communications","2017","53","58","8160","8163","10.1039/C7CC03903D","","","1.54178","CuKα","","0.0702","0.0486","","","0.1312","0.1465","","","","","","1.005","","","","has coordinates","282777","2023-04-20","11:56:46",""
"1546414","28.62","0.003","41.352","0.004","29.564","0.003","90","","108.087","0.001","90","","33260","6","296","2","296","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C236 H503 Dy52 N53 Ni52 O407 -","- C236 H283 Dy52 N53 Ni52 O407 -","- C472 H566 Dy104 N106 Ni104 O814 -","2","0.5","","Lin, Qingfang; Li, Jing; Dong, Yayu; Zhou, Guangpeng; Song, You; Xu, Yan","Lantern-shaped 3d–4f high-nuclearity clusters with magnetocaloric effect","Dalton Transactions","2017","46","30","9745","9749","10.1039/C7DT01978E","","","0.71073","MoKα","","0.1259","0.0737","","","0.2128","0.2421","","","","","","1.081","","","","has coordinates","282777","2023-04-20","11:56:46",""
"1546415","28.737","0.015","41.67","0.02","29.877","0.015","90","","107.598","0.007","90","","34103","3","296","2","296","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C248 H493 Gd52 N54 Ni52 O401.5 -","- C248 H280 Gd52 N54 Ni52 O401.5 -","- C496 H560 Gd104 N108 Ni104 O803 -","2","0.5","","Lin, Qingfang; Li, Jing; Dong, Yayu; Zhou, Guangpeng; Song, You; Xu, Yan","Lantern-shaped 3d–4f high-nuclearity clusters with magnetocaloric effect","Dalton Transactions","2017","46","30","9745","9749","10.1039/C7DT01978E","","","0.71073","MoKα","","0.1625","0.0857","","","0.2312","0.2682","","","","","","1.068","","","","has coordinates,has disorder","282777","2023-04-20","11:56:46",""
"1546416","10.2766","0.0016","16.387","0.003","21.498","0.003","90","","92.547","0.005","90","","3616.7","1","100","2","100","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C41 H43 Br N2 Ni O2 -","- C41 H43 Br N2 Ni O2 -","- C164 H172 Br4 N8 Ni4 O8 -","4","1","","Pollit, Adam A.; Obhi, Nimrat K.; Lough, Alan J.; Seferos, Dwight S.","Evaluation of an external initiating Ni(ii) diimine catalyst for electron-deficient π-conjugated polymers","Polym. Chem.","2017","","","","","10.1039/C7PY00873B","","","0.71073","MoKα","","0.1391","0.0491","","","0.1006","0.1315","","","","","","0.992","","","","has coordinates,has disorder","198198","2020-10-21","18:00:00",""
"1546418","10.1479","0.001","10.1826","0.001","10.2083","0.001","102.993","0.005","96.964","0.005","119.796","0.005","857.44","0.16","150","2","150","2","","","","","","","","3","P -1","-P 1","2","","","","- C19 H20 O8 -","- C19 H20 O8 -","- C38 H40 O16 -","2","1","","Li, Yan; Yue, Qun; Jayanetti, Dinith R.; Swenson, Dale C.; Bartholomeusz, Geoffrey A.; An, Zhiqiang; Gloer, James B.; Bills, Gerald F.","Anti-Cryptococcus Phenalenones and Cyclic Tetrapeptides from Auxarthron pseudauxarthron","Journal of Natural Products","2017","","","","","10.1021/acs.jnatprod.7b00341","","","0.71073","MoKα","","0.0788","0.0529","","","0.1335","0.1504","","","","","","1.023","","","","has coordinates,has disorder","198206","2020-10-21","18:00:00",""
"1546419","12.428","0.004","5.8759","0.0018","21.526","0.006","90","","99.276","0.008","90","","1551.4","0.8","296","","296.15","","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C34 H34 Br N O5 -","- C34 H34 Br N O5 -","- C68 H68 Br2 N2 O10 -","2","1","","Ni, Chunjie; Chen, Jiangfei; Zhang, Yuwen; Hou, Yading; Wang, Dong; Tong, Xiaofeng; Zhu, Shou-Fei; Zhou, Qi-Lin","Phosphine-Catalyzed Asymmetric (3 + 2) Annulations of δ-Acetoxy Allenoates with β-Carbonyl Amides: Enantioselective Synthesis of Spirocyclic β-Keto γ-Lactams.","Organic letters","2017","19","13","3668","3671","10.1021/acs.orglett.7b01717","","","0.71073","MoKα","","0.192","0.0638","","","0.1619","0.2236","","","","","","0.894","","","","has coordinates","200740","2020-10-21","18:00:00",""
"1546420","11.167","0.003","8.117","0.002","13.629","0.004","90","","105.213","0.004","90","","1192.1","0.6","143","","143","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C14 H10 I N -","- C14 H10 I N -","- C56 H40 I4 N4 -","4","1","","Sakata, Naoki; Sasakura, Kohei; Matsushita, Gaku; Okamoto, Kazuhiro; Ohe, Kouichi","Copper-Catalyzed Regio- and Stereoselective Iodocyanation and Dicyanation of Alkynes with Cyanogen Iodide.","Organic letters","2017","19","13","3422","3425","10.1021/acs.orglett.7b01378","","","0.71075","MoKα","","0.035","0.0327","","","0.0998","0.1013","","","","","","1.089","","","","has coordinates","200741","2020-10-21","18:00:00",""
"1546421","31.325","0.003","4.708","0.0004","15.8478","0.0011","90","","90","","90","","2337.2","0.3","100","","100","","","","","","","","","5","P c a 21","P 2c -2ac","29","","","","- C23 H23 N5 O8 S -","- C23 H23 N5 O8 S -","- C92 H92 N20 O32 S4 -","4","1","","Quiñones, Ryan E; Glinkerman, Christopher M.; Zhu, Kaicheng; Boger, Dale L.","Direct Synthesis of β-Aminoenals through Reaction of 1,2,3-Triazine with Secondary Amines.","Organic letters","2017","19","13","3568","3571","10.1021/acs.orglett.7b01543","","","1.54178","CuKα","","0.0614","0.0524","","","0.1341","0.1393","","","","","","1.024","","","","has coordinates,has disorder","200743","2020-10-21","18:00:00",""
"1546422","12.1801","0.0015","14.4847","0.0018","15.6426","0.0019","89.1","0.003","82.956","0.003","66.053","0.002","2501.4","0.5","293","2","293","2","","","","","","","","6","P -1","-P 1","2","","","","- C12 H10 Br N O3 S -","- C12 H10 Br N O3 S -","- C96 H80 Br8 N8 O24 S8 -","8","4","","Pan, Dong; Wei, Yin; Shi, Min","Rh(II)-Catalyzed Chemoselective Oxidative Amination and Cyclization Cascade of 1-(Arylethynyl)cycloalkyl)methyl Sulfamates.","Organic letters","2017","19","13","3584","3587","10.1021/acs.orglett.7b01558","","","0.71073","MoKα","","0.0965","0.0495","","","0.108","0.1284","","","","","","1.007","","","","has coordinates","200745","2020-10-21","18:00:00",""
"1546423","5.4587","0.001","9.1326","0.0016","24.374","0.004","90","","90","","90","","1215.1","0.4","293","2","293","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C13 H13 N O3 S -","- C13 H13 N O3 S -","- C52 H52 N4 O12 S4 -","4","1","","Pan, Dong; Wei, Yin; Shi, Min","Rh(II)-Catalyzed Chemoselective Oxidative Amination and Cyclization Cascade of 1-(Arylethynyl)cycloalkyl)methyl Sulfamates.","Organic letters","2017","19","13","3584","3587","10.1021/acs.orglett.7b01558","","","0.71073","MoKα","","0.0645","0.0584","","","0.1617","0.1684","","","","","","1.049","","","","has coordinates","200745","2020-10-21","18:00:00",""
"1546424","7.8871","0.0004","9.2527","0.0005","10.7496","0.0006","70.765","0.003","76.025","0.003","77.074","0.003","709.81","0.07","100","2","100","2","","","","","","","","4","P -1","-P 1","2","PD-VII-236","","","- C17 H21 N O -","- C17 H21 N O -","- C34 H42 N2 O2 -","2","1","","Daniel, Paige E.; Weber, Alexandria E.; Malcolmson, Steven J.","Umpolung Synthesis of 1,3-Amino Alcohols: Stereoselective Addition of 2-Azaallyl Anions to Epoxides.","Organic letters","2017","19","13","3490","3493","10.1021/acs.orglett.7b01471","","","0.71073","MoKα","","0.0539","0.0416","","","0.113","0.1223","","","","","","1.036","","","","has coordinates","200748","2020-10-21","18:00:00",""
"1546425","10.6907","0.0011","11.1788","0.0011","11.708","0.0012","112.885","0.003","105.439","0.003","102.793","0.002","1156.4","0.2","100","2","100","2","","","","","","","","4","P -1","-P 1","2","AEW-III-124-recryst","","","- C29 H25 N3 O -","- C29 H25 N3 O -","- C58 H50 N6 O2 -","2","1","","Daniel, Paige E.; Weber, Alexandria E.; Malcolmson, Steven J.","Umpolung Synthesis of 1,3-Amino Alcohols: Stereoselective Addition of 2-Azaallyl Anions to Epoxides.","Organic letters","2017","19","13","3490","3493","10.1021/acs.orglett.7b01471","","","0.71073","MoKα","","0.0655","0.0451","","","0.1166","0.1297","","","","","","1.027","","","","has coordinates","200748","2020-10-21","18:00:00",""
"1546426","9.3259","0.0005","19.0277","0.0011","23.1597","0.0009","90","","90","","90","","4109.7","0.4","236","12","236","12","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C25 H21 N O3 S -","- C25 H21 N O3 S -","- C200 H168 N8 O24 S8 -","8","2","","Xu, Dengyu; Zhao, Yulong; Song, Dengpeng; Zhong, Zhuliang; Feng, Shangbiao; Xie, Xingang; Wang, Xiaolei; She, Xuegong","(3 + 2)-Annulation of p-Quinamine and Aryne: A Strategy To Construct the Multisubstituted Hydrocarbazoles.","Organic letters","2017","19","13","3600","3603","10.1021/acs.orglett.7b01578","","","0.71073","MoKα","","0.1186","0.0669","","","0.0949","0.1245","","","","","","1.059","","","","has coordinates","200750","2020-10-21","18:00:00",""
"1546427","9.1341","0.0006","13.5068","0.0009","16.573","0.0011","90","","90","","90","","2044.7","0.2","296","2","296","2","","","","","","","","6","P b c a","-P 2ac 2ab","61","","","","- C16 H26 Mn N4 O6 S2 -","- C16 H26 Mn N4 O6 S2 -","- C64 H104 Mn4 N16 O24 S8 -","4","0.5","","Nicolay N. Golovnev; Maxim S. Molokeev; Irina V. Sterkhova; Maxim K. Lesnikov; Victor V. Atuchin","Coordination effects in hydrated manganese(II) 1,3-diethyl-2-thiobarbiturates and their thermal stability","Polyhedron","2017","134","0","120","125","10.1016/j.poly.2017.06.002","","","0.71073","MoKα","","0.0355","0.0266","","","0.0598","0.0637","","","","","","1.033","","","","has coordinates","198234","2020-10-21","18:00:00",""
"1546428","11.8868","0.0003","13.8324","0.0003","29.9847","0.0008","90","","90","","90","","4930.2","0.2","296","2","296","2","","","","","","","","6","P b c a","-P 2ac 2ab","61","","","","- C16 H32 Mn N4 O9 S2 -","- C16 H32 Mn N4 O9 S2 -","- C128 H256 Mn8 N32 O72 S16 -","8","1","","Nicolay N. Golovnev; Maxim S. Molokeev; Irina V. Sterkhova; Maxim K. Lesnikov; Victor V. Atuchin","Coordination effects in hydrated manganese(II) 1,3-diethyl-2-thiobarbiturates and their thermal stability","Polyhedron","2017","134","0","120","125","10.1016/j.poly.2017.06.002","","","0.71073","MoKα","","0.0452","0.0302","","","0.0698","0.076","","","","","","1.012","","","","has coordinates","198235","2020-10-21","18:00:00",""
"1546429","9.0094","0.0008","14.0378","0.0011","14.5823","0.0012","109.494","0.003","92.834","0.003","106.941","0.003","1640.9","0.2","296","2","296","2","","","","","","","","6","P -1","-P 1","2","","Bis(mu~2~-1,3-diethyl-2-thiobarbiturato-O,O')-tetrakis(1,3-diethyl- 2-thiobarbiturato-O)-decaaqua-trimanganese(II)","","- C48 H86 Mn3 N12 O22 S6 -","- C48 H86 Mn3 N12 O22 S6 -","- C48 H86 Mn3 N12 O22 S6 -","1","0.5","","Nicolay N. Golovnev; Maxim S. Molokeev; Irina V. Sterkhova; Maxim K. Lesnikov; Victor V. Atuchin","Coordination effects in hydrated manganese(II) 1,3-diethyl-2-thiobarbiturates and their thermal stability","Polyhedron","2017","134","0","120","125","10.1016/j.poly.2017.06.002","","","0.71073","MoKα","","0.0789","0.0464","","","0.1124","0.1265","","","","","","1.034","","","","has coordinates","198236","2020-10-21","18:00:00",""
"1546431","20.1484","0.0007","23.5395","0.0007","16.3621","0.0005","90","","113.8","0.002","90","","7100.3","0.4","110","2","110","2","","","","","","","","3","C 1 2/c 1","-C 2yc","15","","","","- C40 H48 O16 -","- C40 H48 O16 -","- C320 H384 O128 -","8","1","","Zafrani, Yossi; Cohen, Yoram","Calix[4, 5]tetrolarenes: A New Family of Macrocycles.","Organic letters","2017","19","14","3719","3722","10.1021/acs.orglett.7b01511","","","0.71073","MoKα","","0.0698","0.0447","","","0.1061","0.1206","","","","","","1.033","","","","has coordinates","200759","2020-10-21","18:00:00",""
"1546432","6.3646","0.0007","17.4661","0.0018","27.475","0.003","90","","90","","90","","3054.3","0.6","120","2","120","2","","","","","","","","3","P b c a","-P 2ac 2ab","61","","","","- C19 H16 O4 -","- C19 H16 O4 -","- C152 H128 O32 -","8","1","","Borisov, Denis D.; Novikov, Roman A.; Eltysheva, Anna S.; Tkachev, Yaroslav V.; Tomilov, Yury V.","Styrylmalonates as an Alternative to Donor‒Acceptor Cyclopropanes in the Reactions with Aldehydes: A Route to 5,6-Dihydropyran-2-ones","Organic Letters","2017","","","","","10.1021/acs.orglett.7b01556","","","0.71073","MoKα","","0.0755","0.0503","","","0.1046","0.1152","","","","","","1.015","","","","has coordinates","198267","2020-10-21","18:00:00",""
"1546433","11.018","0.003","8.6442","0.0019","16.608","0.004","90","","100.195","0.005","90","","1556.8","0.7","120","2","120","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C17 H13 N O7 -","- C17 H13 N O7 -","- C68 H52 N4 O28 -","4","1","","Borisov, Denis D.; Novikov, Roman A.; Eltysheva, Anna S.; Tkachev, Yaroslav V.; Tomilov, Yury V.","Styrylmalonates as an Alternative to Donor‒Acceptor Cyclopropanes in the Reactions with Aldehydes: A Route to 5,6-Dihydropyran-2-ones","Organic Letters","2017","","","","","10.1021/acs.orglett.7b01556","","","0.71073","MoKα","","0.1419","0.057","","","0.0862","0.1057","","","","","","0.933","","","","has coordinates","198268","2020-10-21","18:00:00",""
"1546434","10.6364","0.001","13.3605","0.0013","13.3662","0.0012","90","","91.547","0.003","90","","1898.7","0.3","123","","123","","","","","","","","Prince Ravat","4","P 1 21/n 1","-P 2yn","14","","","","- C24 H16 Br2 O2 -","- C24 H16 Br2 O2 -","- C96 H64 Br8 O8 -","4","1","","Ravat, Prince; Hinkelmann, Rahel; Steinebrunner, David; Prescimone, Alessandro; Bodoky, Ina; Juríček, Michal","Configurational Stability of [5]Helicenes.","Organic letters","2017","19","14","3707","3710","10.1021/acs.orglett.7b01461","","","1.54178","CuKα","","0.0209","0.0208","","0.0465","0.0465","0.0465","","","","","","0.8945","","","","has coordinates","199592","2020-10-21","18:00:00",""
"1546435","17.0796","0.0014","13.6704","0.0008","18.9052","0.0013","90","","116.272","0.009","90","","3958.1","0.6","179.99","0.1","179.99","0.1","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","(trans)-Ethyl 1-benzoyl-2-phenylindoline-3-carboxylate","","- C24 H21 N O3 -","- C24 H21 N O3 -","- C192 H168 N8 O24 -","8","2","","Wu, Cheng-Juan; Cao, Wen-Xiao; Lei, Tao; Li, Zhi-Hua; Meng, Qing-Yuan; Yang, Xiu-Long; Chen, Bin; Ramamurthy, Vaidhyanathan; Tung, Chen-Ho; Wu, Li-Zhu","A sustainable synthesis of 2-aryl-3-carboxylate indolines from N-aryl enamines under visible light irradiation","Chemical Communications","2017","53","59","8320","8323","10.1039/C7CC04358A","","x-ray","0.71073","MoKα","","0.0746","0.0592","","","0.161","0.1741","","","","","","1.029","","","","has coordinates","282777","2023-04-20","11:56:46",""
"1546436","15.3867","0.0011","20.3731","0.0014","22.3197","0.0016","90","","90.744","0.004","90","","6996.1","0.9","93","2","93","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C80 H112 Fe2 N4 -","- C80 H112 Fe2 N4 -","- C320 H448 Fe8 N16 -","4","1","","Horitani, Masaki; Grubel, Katarzyna; McWilliams, Sean F.; Stubbert, Bryan D.; Mercado, Brandon Q.; Yu, Ying; Gurubasavaraj, Prabhuodeyara M.; Lees, Nicholas S.; Holland, Patrick L.; Hoffman, Brian M.","ENDOR characterization of an iron‒alkene complex provides insight into a corresponding organometallic intermediate of nitrogenase","Chem. Sci.","2017","","","","","10.1039/C7SC01602F","","","0.71073","MoKα","","0.1351","0.0655","","","0.152","0.1946","","","","","","1.005","","","","has coordinates,has disorder","198296","2020-10-21","18:00:00",""
"1546437","25.34","0.005","14.77","0.003","20.55","0.004","90","","97.13","0.03","90","","7632","3","100","2","100","2","","","","","","","","6","C 1 2/m 1","-C 2y","12",";Dy2S@Cs(6)-C82/Ni(OEP)/2(C7H8);","","","- C132 H59 Dy2 N4 Ni S -","- C132 H59 Dy2.001 N4 Ni S -","- C528 H236 Dy8.004 N16 Ni4 S4 -","4","0.5","","Chen, Chia-Hsiang; Krylov, Denis; Avdoshenko, Stanislav; Liu, Fupin; Spree, Lukas; Yadav, Ravi; Alvertis, Antonis; Hozoi, Liviu; Nenkov, Konstantin; Kostanyan, Aram; Greber, Thomas; Wolter, A.; Popov, Alexey A.","Selective arc-discharge synthesis of Dy2S-clusterfullerenes and their isomer-dependent single molecule magnetism","Chem. Sci.","2017","","","","","10.1039/C7SC02395B","","","0.89429","synchrotron","","0.1679","0.1181","","","0.3275","0.3635","","","","","","1.449","","","","has coordinates,has disorder","198297","2020-10-21","18:00:00",""
"1546438","25.25","0.005","14.86","0.003","20.46","0.004","90","","97.74","0.03","90","","7607","3","100","2","100","2","","","","","","","","6","C 1 2/m 1","-C 2y","12",";Dy2S@C3v(8)-C82/Ni(OEP)/2(C7H8);","Dy2S@C3v(8)-C82/Ni(OEP)/2(C7H8)","","- C132 H60 Dy2 N4 Ni S -","- C132 H60 Dy2 N4 Ni S0.999 -","- C528 H240 Dy8 N16 Ni4 S3.996 -","4","0.5","","Chen, Chia-Hsiang; Krylov, Denis; Avdoshenko, Stanislav; Liu, Fupin; Spree, Lukas; Yadav, Ravi; Alvertis, Antonis; Hozoi, Liviu; Nenkov, Konstantin; Kostanyan, Aram; Greber, Thomas; Wolter, A.; Popov, Alexey A.","Selective arc-discharge synthesis of Dy2S-clusterfullerenes and their isomer-dependent single molecule magnetism","Chem. Sci.","2017","","","","","10.1039/C7SC02395B","","","0.89429","synchrotron","","0.234","0.163","","","0.4063","0.4406","","","","","","1.065","","","","has coordinates,has disorder","198297","2020-10-21","18:00:00",""
"1546439","11.1034","0.0008","6.1744","0.0004","14.0512","0.001","90","","96.477","0.003","90","","957.16","0.12","173","2","173","2","","","","","","","synthesis as described","4","P 1 21 1","P 2yb","4","","","","- C20 H20 N2 O7 -","- C20 H20 N2 O7 -","- C40 H40 N4 O14 -","2","1","","Boissarie, Patrick; Bélanger, Guillaume","Short Approach toward the Nonracemic A,B,E Tricyclic Core of Calyciphylline B-Type Alkaloids.","Organic letters","2017","","","","","10.1021/acs.orglett.7b01566","","x-ray","1.54186","CuKα","","0.063","0.0486","","","0.1235","0.1365","","","","","","0.958","","","","has coordinates","198320","2020-10-21","18:00:00",""
"1546440","14.9611","0.0007","18.8833","0.0009","15.2457","0.0008","90","","102.243","0.0018","90","","4209.2","0.4","304","2","304","2","","","","","","","","5","P 1 21/m 1","-P 2yb","11","","VNU-18","","- C23.5 H22.5 Cu3 N4.5 O13 -","- C23.5 H22.5 Cu3 N4.5 O13 -","- C94 H90 Cu12 N18 O52 -","4","1","","Truong, Thanh; Tran, Thuan V.; Le, Hanh T. N; Ha, Hiep Q.; Duong, Xuan N. T; Nguyen, Linh H. T; Doan, Tan L. H; Nguyen, Ha Lac","Five coordination Cu(II) cluster-based MOF and its application in synthesis of pharmaceuticals via Sp3C-H/N-H oxidative couplings","Catal. Sci. Technol.","2017","","","","","10.1039/C7CY00882A","","","1.54178","CuKα","","0.0722","0.0574","","","0.1755","0.1837","","","","","","1.051","","","","has coordinates","198348","2020-10-21","18:00:00",""
"1546441","11.8092","0.0004","22.5105","0.0007","8.1573","0.0003","90","","90","","90","","2168.46","0.13","223","2","223","2","","","","","","","","5","P 21 21 2","P 2 2ab","18","","","","- C20 H32 N3 O6 P -","- C20 H32 N3 O6 P -","- C80 H128 N12 O24 P4 -","4","1","","Tang, Wenjun; Du, Kang; Yang, He; Guo, Pan; Feng, Liang; Xu, Guangqing; Zhou, Qing-Hai; Chung, Lung Wa","Efficient Syntheses of (-)-Crinine and (-)-Aspidospermidine, and Formal Synthesis of (-)-Minfiensine by Enantioselective Intramolecular Dearomative Cyclization","Chem. Sci.","2017","","","","","10.1039/C7SC01859B","","","1.54178","CuKα","","0.0352","0.0339","","","0.0881","0.0891","","","","","","1.055","","","","has coordinates","198351","2020-10-21","18:00:00",""
"1546442","11.632","0.002","10.796","0.002","20.144","0.004","90","","92.25","0.03","90","","2527.7","0.8","173","2","173","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C23 H35 N4 O4 P -","- C23 H35 N4 O4 P -","- C92 H140 N16 O16 P4 -","4","2","","Tang, Wenjun; Du, Kang; Yang, He; Guo, Pan; Feng, Liang; Xu, Guangqing; Zhou, Qing-Hai; Chung, Lung Wa","Efficient Syntheses of (-)-Crinine and (-)-Aspidospermidine, and Formal Synthesis of (-)-Minfiensine by Enantioselective Intramolecular Dearomative Cyclization","Chem. Sci.","2017","","","","","10.1039/C7SC01859B","","","1.54178","CuKα","","0.0457","0.0411","","","0.1068","0.1101","","","","","","1.045","","","","has coordinates","198351","2020-10-21","18:00:00",""
"1546443","8.4435","0.0002","8.577","0.0002","12.2867","0.0003","84.407","0.002","89.589","0.002","82.07","0.002","877.08","0.04","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","","","- C15 H25 B N2 S3 -","- C15 H25 B N2 S3 -","- C30 H50 B2 N4 S6 -","2","1","","Böser, Richard; Haufe, Lisa Cathrin; Freytag, Matthias; Jones, P. G.; Hörner, Gerald; René, Frank","Completing the series of boron-nucleophilic cyanoborates: Boryl anions of type (NHC)−B(CN)2−","Chem. Sci.","2017","","","","","10.1039/C7SC02238G","","","0.71073","MoKα","","0.0357","0.0296","","","0.0716","0.075","","","","","","1.044","","","","has coordinates","198352","2020-10-21","18:00:00",""
"1546444","8.20315","0.0001","16.7145","0.0002","37.3775","0.0007","90","","95.505","0.002","90","","5101.25","0.13","100","2","100","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C26 H34 B N3 S2 -","- C26 H34 B N3 S2 -","- C208 H272 B8 N24 S16 -","8","2","","Böser, Richard; Haufe, Lisa Cathrin; Freytag, Matthias; Jones, P. G.; Hörner, Gerald; René, Frank","Completing the series of boron-nucleophilic cyanoborates: Boryl anions of type (NHC)−B(CN)2−","Chem. Sci.","2017","","","","","10.1039/C7SC02238G","","","1.54184","CuKα","","0.0467","0.0355","","","0.0856","0.0919","","","","","","1.027","","","","has coordinates","198352","2020-10-21","18:00:00",""
"1546445","8.8243","0.0002","10.9964","0.0002","12.7995","0.0003","90","","90","","90","","1242.01","0.05","100","2","100","2","","","","","","","","5","P n n m","-P 2 2n","58","","","","- C11 H10 B I N4 -","- C11 H10 B I N4 -","- C44 H40 B4 I4 N16 -","4","0.5","","Böser, Richard; Haufe, Lisa Cathrin; Freytag, Matthias; Jones, P. G.; Hörner, Gerald; René, Frank","Completing the series of boron-nucleophilic cyanoborates: Boryl anions of type (NHC)−B(CN)2−","Chem. Sci.","2017","","","","","10.1039/C7SC02238G","","","0.71073","MoKα","","0.0215","0.0185","","","0.0444","0.0456","","","","","","1.107","","","","has coordinates","198352","2020-10-21","18:00:00",""
"1546446","12.63216","0.0001","13.55052","0.0001","16.37821","0.0001","90","","90","","90","","2803.5","0.03","130","2","130","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C27 H39 B N2 S3 -","- C27 H39 B N2 S3 -","- C108 H156 B4 N8 S12 -","4","1","","Böser, Richard; Haufe, Lisa Cathrin; Freytag, Matthias; Jones, P. G.; Hörner, Gerald; René, Frank","Completing the series of boron-nucleophilic cyanoborates: Boryl anions of type (NHC)−B(CN)2−","Chem. Sci.","2017","","","","","10.1039/C7SC02238G","","","1.54184","CuKα","","0.0258","0.0256","","","0.069","0.0693","","","","","","1.05","","","","has coordinates","198352","2020-10-21","18:00:00",""
"1546447","10.4737","0.0002","12.0926","0.0002","13.1679","0.0003","90","","104.764","0.002","90","","1612.71","0.06","100","2","100","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C14 H20 B N3 S2 -","- C14 H20 B N3 S2 -","- C56 H80 B4 N12 S8 -","4","1","","Böser, Richard; Haufe, Lisa Cathrin; Freytag, Matthias; Jones, P. G.; Hörner, Gerald; René, Frank","Completing the series of boron-nucleophilic cyanoborates: Boryl anions of type (NHC)−B(CN)2−","Chem. Sci.","2017","","","","","10.1039/C7SC02238G","","","0.71073","MoKα","","0.044","0.0364","","","0.0836","0.0868","","","","","","1.064","","","","has coordinates","198352","2020-10-21","18:00:00",""
"1546448","11.0134","0.0001","21.1517","0.0002","13.8999","0.0001","90","","90.555","0.001","90","","3237.86","0.05","100","2","100","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C14 H19 B N4 Sn -","- C14 H19 B N4 Sn -","- C112 H152 B8 N32 Sn8 -","8","2","","Böser, Richard; Haufe, Lisa Cathrin; Freytag, Matthias; Jones, P. G.; Hörner, Gerald; René, Frank","Completing the series of boron-nucleophilic cyanoborates: Boryl anions of type (NHC)−B(CN)2−","Chem. Sci.","2017","","","","","10.1039/C7SC02238G","","x-ray","0.71073","MoKα","","0.0342","0.0263","","","0.0497","0.052","","","","","","1.102","","","","has coordinates","198352","2020-10-21","18:00:00",""
"1546449","10.8977","0.0004","12.4002","0.0004","11.6286","0.0002","90","","90","","90","","1571.42","0.08","100","2","100","2","","","","","","","","6","C m c 21","C 2c -2","36","","","","- C10 H14 B Cl2 I N4 -","- C10 H14 B Cl2 I N4 -","- C40 H56 B4 Cl8 I4 N16 -","4","0.5","","Böser, Richard; Haufe, Lisa Cathrin; Freytag, Matthias; Jones, P. G.; Hörner, Gerald; René, Frank","Completing the series of boron-nucleophilic cyanoborates: Boryl anions of type (NHC)−B(CN)2−","Chem. Sci.","2017","","","","","10.1039/C7SC02238G","","","0.71073","MoKα","","0.0184","0.0169","","","0.0351","0.0359","","","","","","1.062","","","","has coordinates","198352","2020-10-21","18:00:00",""
"1546450","9.5297","0.0002","8.5096","0.0002","16.0181","0.0004","90","","94.741","0.002","90","","1294.53","0.05","100","2","100","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C8 H14 B N3 S Si -","- C8 H14 B N3 S Si -","- C32 H56 B4 N12 S4 Si4 -","4","1","","Böser, Richard; Haufe, Lisa Cathrin; Freytag, Matthias; Jones, P. G.; Hörner, Gerald; René, Frank","Completing the series of boron-nucleophilic cyanoborates: Boryl anions of type (NHC)−B(CN)2−","Chem. Sci.","2017","","","","","10.1039/C7SC02238G","","","1.54184","CuKα","","0.0296","0.0267","","","0.0686","0.0704","","","","","","1.06","","","","has coordinates","198352","2020-10-21","18:00:00",""
"1546451","9.0098","0.0001","22.6206","0.0002","13.0457","0.0001","90","","100.351","0.001","90","","2615.54","0.04","100","2","100","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C46 H68 B2 K2 N8 O12 -","- C46 H68 B2 K2 N8 O12 -","- C92 H136 B4 K4 N16 O24 -","2","0.5","","Böser, Richard; Haufe, Lisa Cathrin; Freytag, Matthias; Jones, P. G.; Hörner, Gerald; René, Frank","Completing the series of boron-nucleophilic cyanoborates: Boryl anions of type (NHC)−B(CN)2−","Chem. Sci.","2017","","","","","10.1039/C7SC02238G","","","1.54184","CuKα","","0.0395","0.0361","","","0.0956","0.0986","","","","","","1.047","","","","has coordinates","198352","2020-10-21","18:00:00",""
"1546452","33.0927","0.0005","30.3266","0.0004","25.1212","0.0004","90","","106.881","0.002","90","","24125","0.7","100","2","100","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C243 H296 B9 K9 N36 O4 -","- C207 H216 B9 K9 N36 -","- C828 H864 B36 K36 N144 -","4","1","","Böser, Richard; Haufe, Lisa Cathrin; Freytag, Matthias; Jones, P. G.; Hörner, Gerald; René, Frank","Completing the series of boron-nucleophilic cyanoborates: Boryl anions of type (NHC)−B(CN)2−","Chem. Sci.","2017","","","","","10.1039/C7SC02238G","","","1.54184","CuKα","","0.0474","0.039","","","0.0968","0.1013","","","","","","1.02","","","","has coordinates","198352","2020-10-21","18:00:00",""
"1546453","8.5576","0.0003","9.7069","0.0003","16.4514","0.0006","90","","90","","90","","1366.58","0.08","100","2","100","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C11 H17 B N4 S -","- C11 H17 B N4 S -","- C44 H68 B4 N16 S4 -","4","1","","Böser, Richard; Haufe, Lisa Cathrin; Freytag, Matthias; Jones, P. G.; Hörner, Gerald; René, Frank","Completing the series of boron-nucleophilic cyanoborates: Boryl anions of type (NHC)−B(CN)2−","Chem. Sci.","2017","","","","","10.1039/C7SC02238G","","","0.71073","MoKα","","0.0471","0.038","","","0.0781","0.0823","","","","","","1.062","","","","has coordinates","198352","2020-10-21","18:00:00",""
"1546454","16.1393","0.0003","7.9763","0.0002","34.8942","0.0007","90","","90","","90","","4492","0.17","100","2","100","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C24 H27 B N4 -","- C24 H27 B N4 -","- C192 H216 B8 N32 -","8","1","","Böser, Richard; Haufe, Lisa Cathrin; Freytag, Matthias; Jones, P. G.; Hörner, Gerald; René, Frank","Completing the series of boron-nucleophilic cyanoborates: Boryl anions of type (NHC)−B(CN)2−","Chem. Sci.","2017","","","","","10.1039/C7SC02238G","","","1.54184","CuKα","","0.0549","0.0514","","","0.1465","0.1501","","","","","","1.057","","","","has coordinates","198352","2020-10-21","18:00:00",""
"1546455","31.987","0.002","8.6554","0.0006","16.7007","0.0009","90","","90","","90","","4623.8","0.5","100","2","100","2","","","","","","","","6","P b c n","-P 2n 2ab","60","","","","- C20 H30 B Cl2 N4 P -","- C20 H30 B Cl2 N4 P -","- C160 H240 B8 Cl16 N32 P8 -","8","1","","Böser, Richard; Haufe, Lisa Cathrin; Freytag, Matthias; Jones, P. G.; Hörner, Gerald; René, Frank","Completing the series of boron-nucleophilic cyanoborates: Boryl anions of type (NHC)−B(CN)2−","Chem. Sci.","2017","","","","","10.1039/C7SC02238G","","","1.54184","CuKα","","0.05","0.0393","","","0.0927","0.099","","","","","","1.032","","","","has coordinates","198352","2020-10-21","18:00:00",""
"1546456","11.3418","0.0003","18.4372","0.0005","12.9532","0.0003","90","","90","","90","","2708.66","0.12","100","2","100","2","","","","","","","","5","C m c 21","C 2c -2","36","","","","- C12.5 H14 B Cl N4 -","- C12.5 H14 B Cl N4 -","- C100 H112 B8 Cl8 N32 -","8","1","","Böser, Richard; Haufe, Lisa Cathrin; Freytag, Matthias; Jones, P. G.; Hörner, Gerald; René, Frank","Completing the series of boron-nucleophilic cyanoborates: Boryl anions of type (NHC)−B(CN)2−","Chem. Sci.","2017","","","","","10.1039/C7SC02238G","","","1.54184","CuKα","","0.0335","0.0327","","","0.0851","0.0861","","","","","","1.049","","","","has coordinates","198352","2020-10-21","18:00:00",""
"1546457","16.575","0.0003","17.3066","0.0002","23.9859","0.0004","90","","90.036","0.002","90","","6880.52","0.19","100","2","100","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C23 H24 B I N4 -","- C23 H24 B I N4 -","- C276 H288 B12 I12 N48 -","12","3","","Böser, Richard; Haufe, Lisa Cathrin; Freytag, Matthias; Jones, P. G.; Hörner, Gerald; René, Frank","Completing the series of boron-nucleophilic cyanoborates: Boryl anions of type (NHC)−B(CN)2−","Chem. Sci.","2017","","","","","10.1039/C7SC02238G","","","0.71073","MoKα","","0.0358","0.0292","","","0.0606","0.0627","","","","","","1.059","","","","has coordinates","198352","2020-10-21","18:00:00",""
"1546459","6.21152","0.00011","5.70278","0.00014","19.944","0.0003","90","","92.5859","0.0016","90","","705.76","0.02","295","2","295","2","","","","","","","","4","P 1 21 1","P 2yb","4","","(3S,4R,5R)-3-hydroxy-5-(7-methoxybenzo[d][1,3]dioxol-5-yl)-4-nitrocyclohexan-1-one","","- C14 H15 N O7 -","- C14 H15 N O7 -","- C28 H30 N2 O14 -","2","1","","Varró, Gábor; Hegedűs, László; Simon, András; Balogh, Attila; Grün, Alajos; Leveles, Ibolya; Vértessy, Beáta G; Kádas, István","The First Enantioselective Total Synthesis of (-)-trans-Dihydronarciclasine.","Journal of natural products","2017","80","6","1909","1917","10.1021/acs.jnatprod.7b00208","","","1.54184","CuKα","","0.0436","0.0381","","","0.1095","0.116","","","","","","0.917","","","","has coordinates","198374","2020-10-21","18:00:00",""
"1546460","27.622","0.0004","19.968","0.0001","5.699","0.0005","90","","90","0.001","90","","3143.3","0.3","298","2","298","2","","","","","","","Hoya kerrii","3","P 21 21 2","P 2 2ab","18","kerriipregnane B 3-O-Î^2^-D-diginopyranoside acetate","","","- C31 H46 O10 -","- C31 H46 O10 -","- C124 H184 O40 -","4","1","","Seeka, Chonticha; Prabpai, Samran; Kongsaeree, Palangpon; Tewtrakul, Supinya; Lhinhatrakool, Thitima; Sutthivaiyakit, Somyote","Anti-inflammatory 12,20-Epoxypregnane and 11,12-seco-Pregnane Glycosides from the Stems of Hoya kerrii.","Journal of natural products","2017","80","6","1714","1724","10.1021/acs.jnatprod.6b00730","","x-ray","0.71073","MoKα","","0.0594","0.052","","","0.1346","0.1424","","","","","","1.043","","","","has coordinates","198375","2020-10-21","18:00:00",""
"1546461","7.4046","0.0011","21.681","0.003","10.616","0.0016","90","","100.034","0.003","90","","1678.2","0.4","293","2","293","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C18 H19 N3 O3 S -","- C18 H19 N3 O3 S -","- C72 H76 N12 O12 S4 -","4","1","","Xu, Wei; Wang, Gaonan; Sun, Ning; Liu, Yuanhong","Gold-Catalyzed Formal [3 + 2] Cycloaddition of Ynamides with 4,5-Dihydro-1,2,4-oxadiazoles: Synthesis of Functionalized 4-Aminoimidazoles.","Organic letters","2017","19","12","3307","3310","10.1021/acs.orglett.7b01469","","","0.71073","MoKα","","0.0476","0.0392","","","0.1018","0.1086","","","","","","1.024","","","","has coordinates","198401","2020-10-21","18:00:00",""
"1546462","11.366","0.003","12.273","0.003","13.051","0.003","107.953","0.005","93.513","0.005","111.951","0.005","1573.9","0.7","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C37 H33 N3 O3 S -","- C37 H33 N3 O3 S -","- C74 H66 N6 O6 S2 -","2","1","","Xu, Wei; Wang, Gaonan; Sun, Ning; Liu, Yuanhong","Gold-Catalyzed Formal [3 + 2] Cycloaddition of Ynamides with 4,5-Dihydro-1,2,4-oxadiazoles: Synthesis of Functionalized 4-Aminoimidazoles.","Organic letters","2017","19","12","3307","3310","10.1021/acs.orglett.7b01469","","","0.71073","MoKα","","0.1111","0.0738","","","0.1861","0.2097","","","","","","1.016","","","","has coordinates","198402","2020-10-21","18:00:00",""
"1546463","9.468","0.003","19.074","0.007","9.275","0.003","90","","103.8","0.02","90","","1626.6","1","276","2","276","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C21 H19 N O -","- C21 H19 N O -","- C84 H76 N4 O4 -","4","1","","Yao, Tuanli; Ren, Beige; Wang, Bo; Zhao, Yanna","Highly Selective Synthesis of Dihydrobenzo[d]isoxazoles and Dihydrobenzo[d]oxazoles from Oximes and Arynes via in Situ Generation of Nitrones.","Organic letters","2017","19","12","3135","3138","10.1021/acs.orglett.7b01260","","","0.71073","MoKα","","0.0916","0.0557","","","0.1289","0.1453","","","","","","1.03","","","","has coordinates","198403","2020-10-21","18:00:00",""
"1546464","11.8766","0.0006","11.7308","0.0006","23.6382","0.0013","90","","90","","90","","3293.3","0.3","120","","120","","","","","","","","","6","P b c a","-P 2ac 2ab","61","","","","- C13 H27 F2 N O Si -","- C13 H27 F2 N O Si -","- C104 H216 F16 N8 O8 Si8 -","8","1","","Supranovich, Vyacheslav I.; Levin, Vitalij V.; Struchkova, Marina I.; Korlyukov, Alexander A.; Dilman, Alexander D.","Radical Silyldifluoromethylation of Electron-Deficient Alkenes.","Organic letters","2017","19","12","3215","3218","10.1021/acs.orglett.7b01334","","","0.71073","MoKα","","0.0537","0.0396","","","0.092","0.1025","","","","","","1.072","","","","has coordinates","198404","2020-10-21","18:00:00",""
"1546465","9.2873","0.0004","11.4628","0.0004","9.2961","0.0004","90","","98.91","0.001","90","","977.71","0.07","296","2","296","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C20 H20 Br N O6 -","- C20 H20 Br N O6 -","- C40 H40 Br2 N2 O12 -","2","1","","Wang, Nengzhong; Du, Shuo; Li, Dong; Jiang, Xuefeng","Divergent Asymmetric Total Synthesis of (+)-Vincadifformine, (-)-Quebrachamine, (+)-Aspidospermidine, (-)-Aspidospermine, (-)-Pyrifolidine, and Related Natural Products.","Organic letters","2017","19","12","3167","3170","10.1021/acs.orglett.7b01292","","","0.71073","MoKα","","0.0331","0.029","","","0.0705","0.0725","","","","","","1.051","","","","has coordinates","198405","2020-10-21","18:00:00",""
"1546466","9.4224","0.0017","16.987","0.003","18.8","0.004","90","","90","","90","","3009.1","1","123","","123","","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C40 H29 N O3 S -","- C40 H29 N O3 S -","- C160 H116 N4 O12 S4 -","4","1","","Tsujihara, Tetsuya; Zhou, Da-Yang; Suzuki, Takeyuki; Tamura, Satoru; Kawano, Tomikazu","Helically Chiral 1-Sulfur-Functionalized [6]Helicene: Synthesis, Optical Resolution, and Functionalization.","Organic letters","2017","19","12","3311","3314","10.1021/acs.orglett.7b01470","","","0.71075","MoKα","","0.0939","0.0569","","","0.1085","0.1365","","","","","","0.922","","","","has coordinates","198406","2020-10-21","18:00:00",""
"1546467","9.212","0.003","14.231","0.005","13.496","0.004","90","","91.5","0.03","90","","1768.7","1","123","","123","","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","","","- C26 H20 O -","- C26 H19 O -","- C104 H76 O4 -","4","1","","Tsujihara, Tetsuya; Zhou, Da-Yang; Suzuki, Takeyuki; Tamura, Satoru; Kawano, Tomikazu","Helically Chiral 1-Sulfur-Functionalized [6]Helicene: Synthesis, Optical Resolution, and Functionalization.","Organic letters","2017","19","12","3311","3314","10.1021/acs.orglett.7b01470","","","0.71075","MoKα","","0.0874","0.0738","","","0.1817","0.1944","","","","","","1.081","","","","has coordinates","198407","2020-10-21","18:00:00",""
"1546468","7.623","0.0006","10.7719","0.0007","11.87","0.0009","97.78","0.006","97.592","0.006","100.123","0.006","938.47","0.12","293","2","293","2","","","","","","","","4","P -1","-P 1","2","","","","- C21 H18 O4 S -","- C21 H18 O4 S -","- C42 H36 O8 S2 -","2","1","","Lou, Jiang; Wang, Quannan; Wu, Kaikai; Wu, Ping; Yu, Zhengkun","Iron-Catalyzed Oxidative C-H Functionalization of Internal Olefins for the Synthesis of Tetrasubstituted Furans.","Organic letters","2017","19","12","3287","3290","10.1021/acs.orglett.7b01431","","","0.71073","MoKα","","0.0683","0.0451","","","0.1045","0.1207","","","","","","1.028","","","","has coordinates","198408","2020-10-21","18:00:00",""
"1546469","22.032","0.004","6.0534","0.001","22.854","0.004","90","","104.357","0.004","90","","2952.8","0.9","100","2","100","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C17 H18 B N O3 -","- C17 H18 B N O3 -","- C136 H144 B8 N8 O24 -","8","2","","Meadows, Margaret K.; Roesner, Emily K.; Lynch, Vincent M.; James, Tony D.; Anslyn, Eric V.","Boronic Acid Mediated Coupling of Catechols and N-Hydroxylamines: A Bioorthogonal Reaction to Label Peptides.","Organic letters","2017","19","12","3179","3182","10.1021/acs.orglett.7b01198","","","0.71073","MoKα","","0.0627","0.0486","","","0.1127","0.1195","","","","","","1.066","","","","has coordinates","198409","2020-10-21","18:00:00",""
"1546470","11.113","0.004","4.9271","0.0018","13.773","0.005","90","","101.305","0.012","90","","739.5","0.5","93","","93","","","","","","","","","3","P 1 21 1","P 2yb","4","","","","- C24 H14 O -","- C24 H14 O -","- C48 H28 O2 -","2","1","","Ogawa, Naoki; Yamaoka, Yousuke; Yamada, Ken-Ichi; Takasu, Kiyosei","Synthesis of π-Extended Fluoranthenes via a KHMDS-Promoted Anionic-Radical Reaction Cascade.","Organic letters","2017","19","12","3327","3330","10.1021/acs.orglett.7b01538","","","1.54187","CuKα","","0.1561","0.1172","","","0.3206","0.4226","","","","","","1.395","","","","has coordinates","198410","2020-10-21","18:00:00",""
"1546471","8.423","0.005","20.457","0.01","28.733","0.015","90","","91.783","0.017","90","","4949","5","296.15","","296.15","","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C33 H17 N3 O -","- C33 H17 N3 O -","- C264 H136 N24 O8 -","8","1","","Wang, Ya-Kun; Wu, Sheng-Fan; Yuan, Yi; Li, Si-Hua; Fung, Man-Keung; Liao, Liang-Sheng; Jiang, Zuo-Quan","Donor-σ-Acceptor Molecules for Green Thermally Activated Delayed Fluorescence by Spatially Approaching Spiro Conformation.","Organic letters","2017","19","12","3155","3158","10.1021/acs.orglett.7b01281","","","0.71073","MoKα","","0.1675","0.0757","","","0.1805","0.2232","","","","","","0.971","","","","has coordinates","198411","2020-10-21","18:00:00",""
"1546472","9.4913","0.0006","16.766","0.0011","10.7446","0.0007","90","","109.854","0.007","90","","1608.17","0.19","294.78","0.1","294.78","0.1","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C32 H37 Cl2 N O4 S -","- C32 H37 Cl2 N O4 S -","- C64 H74 Cl4 N2 O8 S2 -","2","1","","Zhang, Xiang-Zhi; Gan, Kang-Ji; Liu, Xiao-Xue; Deng, Yu-Hua; Wang, Fang-Xin; Yu, Ke-Yin; Zhang, Jing; Fan, Chun-An","Enantioselective Synthesis of Functionalized 4-Aryl Hydrocoumarins and 4-Aryl Hydroquinolin-2-ones via Intramolecular Vinylogous Rauhut-Currier Reaction of para-Quinone Methides.","Organic letters","2017","19","12","3207","3210","10.1021/acs.orglett.7b01331","","","0.71073","MoKα","","0.069","0.0531","","","0.1188","0.1352","","","","","","1.052","","","","has coordinates,has disorder","198412","2020-10-21","18:00:00",""
"1546473","10.1261","0.0004","11.271","0.0007","19.4856","0.0011","90","","90","","90","","2223.9","0.2","254","9","254","9","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C24 H27 Br O3 -","- C24 H27 Br O3 -","- C96 H108 Br4 O12 -","4","1","","Zhang, Xiang-Zhi; Gan, Kang-Ji; Liu, Xiao-Xue; Deng, Yu-Hua; Wang, Fang-Xin; Yu, Ke-Yin; Zhang, Jing; Fan, Chun-An","Enantioselective Synthesis of Functionalized 4-Aryl Hydrocoumarins and 4-Aryl Hydroquinolin-2-ones via Intramolecular Vinylogous Rauhut-Currier Reaction of para-Quinone Methides.","Organic letters","2017","19","12","3207","3210","10.1021/acs.orglett.7b01331","","","0.7107","MoKα","","0.1243","0.0661","","","0.1194","0.15","","","","","","1.038","","","","has coordinates","198413","2020-10-21","18:00:00",""
"1546474","6.24343","0.00013","16.3321","0.0003","20.2668","0.0004","90","","90","","90","","2066.57","0.07","293.42","0.1","293.42","0.1","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C27 H23 N O3 -","- C27 H23 N O3 -","- C108 H92 N4 O12 -","4","1","","Yang, Yu-Jie; Ji, Yuanyuan; Qi, Liangliang; Wang, Guanjun; Hui, Xin-Ping","Asymmetric Synthesis of Cyclopenta[3,4]pyrroloindolones via N-Heterocyclic Carbene-Catalyzed Michael/Aldol/Lactamization Cascade Reaction.","Organic letters","2017","19","12","3271","3274","10.1021/acs.orglett.7b01411","","x-ray","1.54184","CuKα","","0.0431","0.0378","","","0.0919","0.0961","","","","","","1.056","","","","has coordinates","198414","2020-10-21","18:00:00",""
"1546475","11.5863","0.0005","9.608","0.0002","10.1371","0.0002","90","","118.906","0.002","90","","987.88","0.05","293","2","293","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C3 H10 O11 Sm -","- C3 H6 O11 Sm -","- C12 H24 O44 Sm4 -","4","1","","Matvienko, Alexander A.; Maslennikov, Daniel V.; Zakharov, Boris A.; Sidelnikov, Anatoly A.; Chizhik, Stanislav A.; Boldyreva, Elena V.","Structural aspects of displacive transformations: what can optical microscopy contribute? Dehydration of Sm~2~(C~2~O~4~)~3~·10H~2~O as a case study","IUCrJ","2017","4","5","","","10.1107/S2052252517008624","","","0.71073","MoKα","","0.025","0.022","","","0.0538","0.0562","","","","","","1.043","","","","has coordinates","198455","2020-10-21","18:00:00",""
"1546476","8.4368","0.0003","9.7963","0.0003","9.4986","0.0004","90","","90.393","0.003","90","","785.04","0.05","293","2","293","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C3 H6 O9 Sm -","- C3 H6 O9 Sm -","- C12 H24 O36 Sm4 -","4","1","","Matvienko, Alexander A.; Maslennikov, Daniel V.; Zakharov, Boris A.; Sidelnikov, Anatoly A.; Chizhik, Stanislav A.; Boldyreva, Elena V.","Structural aspects of displacive transformations: what can optical microscopy contribute? Dehydration of Sm~2~(C~2~O~4~)~3~·10H~2~O as a case study","IUCrJ","2017","4","5","","","10.1107/S2052252517008624","","","0.7093","","","0.0469","0.0299","","","0.059","0.0659","","","","","","1.037","","","","has coordinates","198455","2020-10-21","18:00:00",""
"1546479","25.2002","0.0016","19.5179","0.001","17.5099","0.0009","90","","98.942","0.006","90","","8507.7","0.8","120","2","120","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C73 H158 N8 Se Si6 U2 -","- C73 H158 N8 Se Si6 U2 -","- C292 H632 N32 Se4 Si24 U8 -","4","0.5","","Gardner, Benedict; King, David M.; Tuna, Floriana; Wooles, Ashley; Chilton, Nicholas F.; Liddle, Stephen","Assessing Crystal Field and Magnetic Interactions in Diuranium-μ-Chalcogenide Triamidoamine Complexes With UIV-E-UIV Cores (E = S, Se, Te): Implications for Determining the Presence or Absence of Actinide-Actinide Magnetic Exchange","Chem. Sci.","2017","","","","","10.1039/C7SC01998J","","","1.54184","CuKα","","0.0356","0.0331","","","0.0819","0.0834","","","","","","1.051","","","","has coordinates,has disorder","198497","2020-10-21","18:00:00",""
"1546480","29.155","0.006","13.416","0.003","22.949","0.005","90","","105.344","0.004","90","","8656","3","90","2","90","2","","","","","","","","7","C 1 2/c 1","-C 2yc","15","","","","- C74 H166 N8 O2 S Si6 U2 -","- C74 H166 N8 O2 S Si6 U2 -","- C296 H664 N32 O8 S4 Si24 U8 -","4","0.5","","Gardner, Benedict; King, David M.; Tuna, Floriana; Wooles, Ashley; Chilton, Nicholas F.; Liddle, Stephen","Assessing Crystal Field and Magnetic Interactions in Diuranium-μ-Chalcogenide Triamidoamine Complexes With UIV-E-UIV Cores (E = S, Se, Te): Implications for Determining the Presence or Absence of Actinide-Actinide Magnetic Exchange","Chem. Sci.","2017","","","","","10.1039/C7SC01998J","","","0.71073","MoKα","","0.1027","0.0659","","","0.1056","0.1146","","","","","","1.107","","","","has coordinates,has disorder","198497","2020-10-21","18:00:00",""
"1546481","13.4366","0.0005","14.7631","0.0005","25.3924","0.0009","90","","90","","90","","5037","0.3","90","2","90","2","","","","","","","","7","P 21 21 21","P 2ac 2ab","19","","","","- C39 H93 N7 O P Si3 U -","- C39 H93 N7 O P Si3 U -","- C156 H372 N28 O4 P4 Si12 U4 -","4","1","","Gardner, Benedict; King, David M.; Tuna, Floriana; Wooles, Ashley; Chilton, Nicholas F.; Liddle, Stephen","Assessing Crystal Field and Magnetic Interactions in Diuranium-μ-Chalcogenide Triamidoamine Complexes With UIV-E-UIV Cores (E = S, Se, Te): Implications for Determining the Presence or Absence of Actinide-Actinide Magnetic Exchange","Chem. Sci.","2017","","","","","10.1039/C7SC01998J","","x-ray","0.71073","MoKα","","0.0277","0.0255","","","0.0544","0.0552","","","","","","0.996","","","","has coordinates","198497","2020-10-21","18:00:00",""
"1546482","12.9125","0.001","22.4587","0.0004","23.3257","0.0018","90","","144.194","0.017","90","","3957.5","1.7","120","2","120","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C66 H150 N8 S2 Si6 U2 -","- C66 H150 N8 S2 Si6 U2 -","- C132 H300 N16 S4 Si12 U4 -","2","0.5","","Gardner, Benedict; King, David M.; Tuna, Floriana; Wooles, Ashley; Chilton, Nicholas F.; Liddle, Stephen","Assessing Crystal Field and Magnetic Interactions in Diuranium-μ-Chalcogenide Triamidoamine Complexes With UIV-E-UIV Cores (E = S, Se, Te): Implications for Determining the Presence or Absence of Actinide-Actinide Magnetic Exchange","Chem. Sci.","2017","","","","","10.1039/C7SC01998J","","","1.54184","CuKα","","0.0256","0.0251","","","0.0616","0.0619","","","","","","1.068","","","","has coordinates","198497","2020-10-21","18:00:00",""
"1546483","13.8022","0.0003","16.3751","0.0005","18.0985","0.0006","90","","92.474","0.003","90","","4086.7","0.2","120","2","120","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C66 H150 N8 Si6 Te U2 -","- C66 H150 N8 Si6 Te U2 -","- C132 H300 N16 Si12 Te2 U4 -","2","0.5","","Gardner, Benedict; King, David M.; Tuna, Floriana; Wooles, Ashley; Chilton, Nicholas F.; Liddle, Stephen","Assessing Crystal Field and Magnetic Interactions in Diuranium-μ-Chalcogenide Triamidoamine Complexes With UIV-E-UIV Cores (E = S, Se, Te): Implications for Determining the Presence or Absence of Actinide-Actinide Magnetic Exchange","Chem. Sci.","2017","","","","","10.1039/C7SC01998J","","","1.54184","CuKα","","0.0897","0.0814","","","0.211","0.219","","","","","","1.143","","","","has coordinates,has disorder","198497","2020-10-21","18:00:00",""
"1546484","10.443","0.008","12.603","0.011","17.396","0.016","110.9","0.02","98.5","0.02","90.185","0.019","2112","3","296","2","296","2","","","","","","","","4","P -1","-P 1","2","Isonicotinamide + 3MeO benzoic acid From MeCN","","","- C22 H22 N2 O7 -","- C22 H22 N2 O7 -","- C88 H88 N8 O28 -","4","2","","Wicker, Jerome G. P.; Crowley, Lorraine M.; Robshaw, Oliver; Little, Edmund J.; Stokes, Stephen P.; Cooper, Richard I.; Lawrence, Simon E.","Will they co-crystallize?","CrystEngComm","2017","19","36","5336","5340","10.1039/C7CE00587C","","","0.71073","MoKα","","0.1252","0.0657","","","0.1658","0.207","","","","","","1.011","","","","has coordinates","282777","2023-04-20","11:56:46",""
"1546485","5.222","0.004","8.817","0.007","14.578","0.011","101.606","0.018","94.434","0.016","94.826","0.018","652.1","0.9","300","2","300","2","","","","","","","","5","P -1","-P 1","2","7H Benzamide + 3-Fluorobenzoic Acid","","","- C14 H12 F N O3 -","- C14 H12 F N O3 -","- C28 H24 F2 N2 O6 -","2","1","","Wicker, Jerome G. P.; Crowley, Lorraine M.; Robshaw, Oliver; Little, Edmund J.; Stokes, Stephen P.; Cooper, Richard I.; Lawrence, Simon E.","Will they co-crystallize?","CrystEngComm","2017","19","36","5336","5340","10.1039/C7CE00587C","","","0.71073","MoKα","","0.182","0.0716","","","0.1504","0.2046","","","","","","0.974","","","","has coordinates","282777","2023-04-20","11:56:47",""
"1546486","11.012","0.002","4.0528","0.0008","32.335","0.006","90","","94.648","0.004","90","","1438.3","0.5","296","2","296","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","44'Bipyridyl + 2-Fluorobenzoic acid cocrystal","4,4'-Bipyridyl 2-Fluorobenzoic Acid","","- C17 H13 F N2 O2 -","- C17 H13 F N2 O2 -","- C68 H52 F4 N8 O8 -","4","1","","Wicker, Jerome G. P.; Crowley, Lorraine M.; Robshaw, Oliver; Little, Edmund J.; Stokes, Stephen P.; Cooper, Richard I.; Lawrence, Simon E.","Will they co-crystallize?","CrystEngComm","2017","19","36","5336","5340","10.1039/C7CE00587C","","","0.71073","MoKα","","0.0835","0.0589","","","0.1823","0.2075","","","","","","1.044","","","","has coordinates","282777","2023-04-20","11:56:47",""
"1546487","8.084","0.004","12.756","0.006","9.49","0.004","90","","93.543","0.012","90","","976.7","0.8","296","2","296","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","Urea and 2-Nitrobenzoic Acid","","","- C8 H9 N3 O5 -","- C8 H9 N3 O5 -","- C32 H36 N12 O20 -","4","1","","Wicker, Jerome G. P.; Crowley, Lorraine M.; Robshaw, Oliver; Little, Edmund J.; Stokes, Stephen P.; Cooper, Richard I.; Lawrence, Simon E.","Will they co-crystallize?","CrystEngComm","2017","19","36","5336","5340","10.1039/C7CE00587C","","","0.71073","MoKα","","0.1156","0.0712","","","0.176","0.2452","","","","","","0.997","","","","has coordinates","282777","2023-04-20","11:56:47",""
"1546488","10.878","0.003","12.704","0.004","15.328","0.005","90","","107.034","0.009","90","","2025.3","1.1","300","2","300","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","Nicotinamide + mToluic Acid from EtOH","","","- C22 H22 N2 O5 -","- C22 H22 N2 O5 -","- C88 H88 N8 O20 -","4","1","","Wicker, Jerome G. P.; Crowley, Lorraine M.; Robshaw, Oliver; Little, Edmund J.; Stokes, Stephen P.; Cooper, Richard I.; Lawrence, Simon E.","Will they co-crystallize?","CrystEngComm","2017","19","36","5336","5340","10.1039/C7CE00587C","","","0.71073","MoKα","","0.1629","0.0672","","","0.1559","0.2008","","","","","","1.036","","","","has coordinates","282777","2023-04-20","11:56:47",""
"1546489","27.715","0.003","7.0371","0.0007","21.947","0.002","90","","105.132","0.004","90","","4132","0.7","300","2","300","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","Nicotinamide + 2Nitrobenzoic Acid from MeCN","","","- C20 H16 N4 O9 -","- C20 H16 N4 O9 -","- C160 H128 N32 O72 -","8","1","","Wicker, Jerome G. P.; Crowley, Lorraine M.; Robshaw, Oliver; Little, Edmund J.; Stokes, Stephen P.; Cooper, Richard I.; Lawrence, Simon E.","Will they co-crystallize?","CrystEngComm","2017","19","36","5336","5340","10.1039/C7CE00587C","","","0.71073","MoKα","","0.0539","0.0401","","","0.0994","0.1092","","","","","","1.019","","","","has coordinates","282777","2023-04-20","11:56:47",""
"1546490","10.479","0.002","4.9873","0.0009","12.644","0.003","90","","109.361","0.005","90","","623.4","0.2","296","2","296","2","","","","","","","","4","P 1 21 1","P 2yb","4","Nicotinamide + 2Aminobenzoic Acid from EtOH","","","- C13 H13 N3 O3 -","- C13 H13 N3 O3 -","- C26 H26 N6 O6 -","2","1","","Wicker, Jerome G. P.; Crowley, Lorraine M.; Robshaw, Oliver; Little, Edmund J.; Stokes, Stephen P.; Cooper, Richard I.; Lawrence, Simon E.","Will they co-crystallize?","CrystEngComm","2017","19","36","5336","5340","10.1039/C7CE00587C","","","0.71073","MoKα","","0.0363","0.0305","","","0.07","0.0744","","","","","","1.042","","","","has coordinates","282777","2023-04-20","11:56:47",""
"1546491","11.8242","0.0018","10.035","0.0015","15.06","0.002","90","","104.953","0.002","90","","1726.4","0.4","296","2","296","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","Urea + 2Nitrobenzoic Acid from MecN","","","- C15 H14 N4 O9 -","- C15 H14 N4 O9 -","- C60 H56 N16 O36 -","4","1","","Wicker, Jerome G. P.; Crowley, Lorraine M.; Robshaw, Oliver; Little, Edmund J.; Stokes, Stephen P.; Cooper, Richard I.; Lawrence, Simon E.","Will they co-crystallize?","CrystEngComm","2017","19","36","5336","5340","10.1039/C7CE00587C","","","0.71073","MoKα","","0.0464","0.0366","","","0.0933","0.1012","","","","","","1.038","","","","has coordinates","282777","2023-04-20","11:56:47",""
"1546492","13.629","0.016","7.151","0.008","13.651","0.015","90","","115.649","0.017","90","","1199","2","296","2","296","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","Nicotinamide 4-Fluorobenzoic Acid Cocrystal","Nicotinamide 4-Fluorobenzoic Acid","","- C13 H11 F N2 O3 -","- C13 H11 F N2 O3 -","- C52 H44 F4 N8 O12 -","4","1","","Wicker, Jerome G. P.; Crowley, Lorraine M.; Robshaw, Oliver; Little, Edmund J.; Stokes, Stephen P.; Cooper, Richard I.; Lawrence, Simon E.","Will they co-crystallize?","CrystEngComm","2017","19","36","5336","5340","10.1039/C7CE00587C","","","0.71073","MoKα","","0.0609","0.0392","","","0.1015","0.1135","","","","","","1.029","","","","has coordinates","282777","2023-04-20","11:56:47",""
"1546493","7.988","0.003","11.004","0.005","12.725","0.006","73.939","0.01","75.605","0.01","89.042","0.011","1039.5","0.8","300","2","300","2","","","","","","","","4","P -1","-P 1","2","7A Benzamide + 2-Nitrobenzoic Acid","Benzamide 2-nitrobenzoic acid","","- C21 H17 N3 O9 -","- C21 H17 N3 O9 -","- C42 H34 N6 O18 -","2","1","","Wicker, Jerome G. P.; Crowley, Lorraine M.; Robshaw, Oliver; Little, Edmund J.; Stokes, Stephen P.; Cooper, Richard I.; Lawrence, Simon E.","Will they co-crystallize?","CrystEngComm","2017","19","36","5336","5340","10.1039/C7CE00587C","","","0.71073","MoKα","","0.1601","0.0657","","","0.1747","0.2499","","","","","","0.909","","","","has coordinates","282777","2023-04-20","11:56:47",""
"1546494","7.1167","0.0005","7.559","0.0005","12.8081","0.0009","85.164","0.002","75.933","0.002","85.895","0.002","665.04","0.08","296","2","296","2","","","","","","","","4","P -1","-P 1","2","Nicotinamide + 2Nitrobenzoic Acid","Nicotinamide 2-Nitrobenzoic Acid","","- C13 H11 N3 O5 -","- C13 H11 N3 O5 -","- C26 H22 N6 O10 -","2","1","","Wicker, Jerome G. P.; Crowley, Lorraine M.; Robshaw, Oliver; Little, Edmund J.; Stokes, Stephen P.; Cooper, Richard I.; Lawrence, Simon E.","Will they co-crystallize?","CrystEngComm","2017","19","36","5336","5340","10.1039/C7CE00587C","","","0.71073","MoKα","","0.0556","0.0397","","","0.1046","0.1159","","","","","","1.023","","","","has coordinates","282777","2023-04-20","11:56:47",""
"1546495","8.873","0.002","34.245","0.008","9.175","0.002","90","","105.942","0.008","90","","2680.7","1.1","300","2","300","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","2Nitrobenzoic Acid + Isonicotinamide","","","- C26 H22 N6 O10 -","- C26 H22 N6 O10 -","- C104 H88 N24 O40 -","4","1","","Wicker, Jerome G. P.; Crowley, Lorraine M.; Robshaw, Oliver; Little, Edmund J.; Stokes, Stephen P.; Cooper, Richard I.; Lawrence, Simon E.","Will they co-crystallize?","CrystEngComm","2017","19","36","5336","5340","10.1039/C7CE00587C","","","0.71073","MoKα","","0.0661","0.0469","","","0.1235","0.1394","","","","","","1.046","","","","has coordinates","282777","2023-04-20","11:56:47",""
"1546496","12.516","0.005","10.899","0.004","9.306","0.003","90","","95.296","0.012","90","","1264","0.8","300","2","300","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","Isonicotinamide + 2-Aminobenzoic Acid","","","- C13 H13 N3 O3 -","- C13 H13 N3 O3 -","- C52 H52 N12 O12 -","4","1","","Wicker, Jerome G. P.; Crowley, Lorraine M.; Robshaw, Oliver; Little, Edmund J.; Stokes, Stephen P.; Cooper, Richard I.; Lawrence, Simon E.","Will they co-crystallize?","CrystEngComm","2017","19","36","5336","5340","10.1039/C7CE00587C","","","0.71073","MoKα","","0.1847","0.0853","","","0.1978","0.2536","","","","","","1.015","","","","has coordinates,has disorder","282777","2023-04-20","11:56:47",""
"1546497","21.17","0.0016","22.5739","0.0014","24.0674","0.0016","62.949","0.002","71.882","0.002","67.422","0.002","9327.3","1.1","173","2","173","2","","","","","","","","4","P -1","-P 1","2","","","","- C57 H48 N4 O4 -","- C56.9982 H47.9985 N3.99975 O4 -","- C455.986 H383.988 N31.998 O32 -","8","4","","Zhu, Wei; Ding, Zheng-Dong; Wang, Xuan; Li, Tao; Shen, Rui; Li, Yunxing; Li, Zaijun; Ren, Xuehong; Gu, Zhi-Guo","A three-dimensional porphyrin-based porous organic polymer with excellent biomimetic catalytic performance","Polym. Chem.","2017","","","","","10.1039/C7PY00876G","","","0.71073","MoKα","","0.1963","0.0809","","","0.1805","0.2394","","","","","","1.077","","","","has coordinates,has disorder","198505","2020-10-21","18:00:00",""
"1546501","6.6243","0.0003","8.5016","0.0005","10.8522","0.0007","83.908","0.005","86.04","0.005","82.465","0.005","601.52","0.06","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C14 H10 Br N O -","- C14 H10 Br N O -","- C28 H20 Br2 N2 O2 -","2","1","","Nguyen, Thanh Binh; Retailleau, Pascal","Elemental Sulfur-Promoted Oxidative Rearranging Coupling between o-Aminophenols and Ketones: A Synthesis of 2-Alkyl benzoxazoles under Mild Conditions.","Organic letters","2017","19","14","3887","3890","10.1021/acs.orglett.7b01775","","x-ray","0.71073","MoKα","","0.0309","0.0255","","","0.0567","0.0582","","","","","","1.043","","","","has coordinates,has disorder","200755","2020-10-21","18:00:00",""
"1546502","7.5748","0.0003","13.3134","0.0005","16.6181","0.0009","90","","93.054","0.005","90","","1673.49","0.13","173","0.1","173","0.1","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C16.5 H13 Cl1.5 D0.5 N O4 S -","- C16.5 H13 Cl1.5 D0.5 N O4 S -","- C66 H52 Cl6 D2 N4 O16 S4 -","4","1","","Nguyen, Thanh Binh; Retailleau, Pascal","Redox-Neutral Access to Sultams from 2-Nitrochalcones and Sulfur with Complete Atom Economy","Organic Letters","2017","","","","","10.1021/acs.orglett.7b01766","","x-ray","0.71073","MoKα","","0.0703","0.0579","","","0.1524","0.1598","","","","","","1.127","","","","has coordinates","198557","2020-10-21","18:00:00",""
"1546503","19.2187","0.0018","17.1982","0.0018","19.999","0.003","90","","90.738","0.012","90","","6609.7","1.4","150","","150","","","","","","","","SYN","6","C 1 2/c 1","-C 2yc","15","","","","- C62 H68 B F24 P2 Rh -","- C62 H68 B F24 P2 Rh -","- C248 H272 B4 F96 P8 Rh4 -","4","0.5","","Chadwick, Fredrick M.; McKay, Alasdair I.; Martinez-Martinez, Antonio J.; Rees, Nick; Kraemer, Tobias; Macgregor, Stuart Alan; Weller, Andrew","Solid‒State Molecular Organometallic Chemistry. Single‒Crystal to Single‒Crystal Reactivity and Catalysis with Light Hydrocarbon Substrates.","Chem. Sci.","2017","","","","","10.1039/C7SC01491K","","","1.5418","CuKα","","0.145","0.1072","","0.3333","0.2509","0.3327","","","","","","0.9981","","","","has coordinates,has disorder","198564","2020-10-21","18:00:00",""
"1546504","12.7894","0.0007","12.8961","0.0007","19.8711","0.0008","91.256","0.004","90.745","0.004","96.863","0.004","3252.7","0.3","150","","150","","","","","","","","SYN","6","P -1","-P 1","2","","","","- C61 H66 B F24 P2 Rh -","- C61 H66 B F24 P2 Rh -","- C122 H132 B2 F48 P4 Rh2 -","2","1","","Chadwick, Fredrick M.; McKay, Alasdair I.; Martinez-Martinez, Antonio J.; Rees, Nick; Kraemer, Tobias; Macgregor, Stuart Alan; Weller, Andrew","Solid‒State Molecular Organometallic Chemistry. Single‒Crystal to Single‒Crystal Reactivity and Catalysis with Light Hydrocarbon Substrates.","Chem. Sci.","2017","","","","","10.1039/C7SC01491K","","","1.5418","CuKα","","0.1525","0.1277","","0.3806","0.3264","0.3806","","","","","","0.9616","","","","has coordinates,has disorder","198564","2020-10-21","18:00:00",""
"1546505","25.8617","0.0003","25.8617","0.0003","20.302","0.0003","90","","90","","120","","11759.4","0.3","150","","150","","","","","","","","SYN","6","P 63 2 2","P 6c 2c","182","","","","- C62 H68 B F24 P2 Rh -","- C62 H68 B F24 P2 Rh -","- C372 H408 B6 F144 P12 Rh6 -","6","0.5","","Chadwick, Fredrick M.; McKay, Alasdair I.; Martinez-Martinez, Antonio J.; Rees, Nick; Kraemer, Tobias; Macgregor, Stuart Alan; Weller, Andrew","Solid‒State Molecular Organometallic Chemistry. Single‒Crystal to Single‒Crystal Reactivity and Catalysis with Light Hydrocarbon Substrates.","Chem. Sci.","2017","","","","","10.1039/C7SC01491K","","","1.5418","CuKα","","0.0868","0.0666","","0.2106","0.1776","0.2105","","","","","","0.9722","","","","has coordinates,has disorder","198564","2020-10-21","18:00:00",""
"1546506","19.1979","0.001","17.1549","0.0015","19.9732","0.0012","90","","90.31","0.006","90","","6577.8","0.8","150.01","0.1","150","","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C62 H68 B F24 P2 Rh -","- C62 H68 B F24 P2 Rh -","- C248 H272 B4 F96 P8 Rh4 -","4","0.5","","Chadwick, Fredrick M.; McKay, Alasdair I.; Martinez-Martinez, Antonio J.; Rees, Nick; Kraemer, Tobias; Macgregor, Stuart Alan; Weller, Andrew","Solid‒State Molecular Organometallic Chemistry. Single‒Crystal to Single‒Crystal Reactivity and Catalysis with Light Hydrocarbon Substrates.","Chem. Sci.","2017","","","","","10.1039/C7SC01491K","","","1.54184","CuKα","","0.1106","0.1019","","","0.2487","0.2542","","","","","","1.09","","","","has coordinates,has disorder","198564","2020-10-21","18:00:00",""
"1546507","13.4908","0.0004","14.2693","0.0004","18.1051","0.0004","98.549","0.002","102.097","0.002","94.411","0.002","3348.94","0.16","150.01","0.1","150.01","0.1","","","","","","","","6","P -1","-P 1","2","","","","- C64 H72 B F24 P2 Rh -","- C64 H72 B F24 P2 Rh -","- C128 H144 B2 F48 P4 Rh2 -","2","1","","Chadwick, Fredrick M.; McKay, Alasdair I.; Martinez-Martinez, Antonio J.; Rees, Nick; Kraemer, Tobias; Macgregor, Stuart Alan; Weller, Andrew","Solid‒State Molecular Organometallic Chemistry. Single‒Crystal to Single‒Crystal Reactivity and Catalysis with Light Hydrocarbon Substrates.","Chem. Sci.","2017","","","","","10.1039/C7SC01491K","","x-ray","1.54184","CuKα","","0.061","0.0552","","","0.1417","0.1475","","","","","","1.043","","","","has coordinates,has disorder","198564","2020-10-21","18:00:00",""
"1546508","10.0992","0.0003","20.5006","0.0007","13.57","0.0005","90","","90.2639","0.0005","90","","2809.5","0.16","193","2","193","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C31 H32 N6 Ni O3 -","- C31 H32 N6 Ni O3 -","- C124 H128 N24 Ni4 O12 -","4","2","","McKinnie, Shaun M. K.; Wang, Wang; Fischer, Conrad; McDonald, Tyler; Kalin, Kevin R.; Iturrioz, Xavier; Llorens-Cortes, Catherine; Oudit, Gavin Y.; Vederas, John C.","Synthetic Modification within the ""RPRL"" Region of Apelin Peptides: Impact on Cardiovascular Activity and Stability to Neprilysin and Plasma Degradation.","Journal of medicinal chemistry","2017","60","14","6408","6427","10.1021/acs.jmedchem.7b00723","","","0.71073","MoKα","","0.0478","0.0364","","","0.0759","0.081","","","","","","1.032","","","","has coordinates","200673","2020-10-21","18:00:00",""
"1546512","8.8067","0.0003","13.5906","0.0005","16.3003","0.0007","83.2903","0.0015","78.3035","0.0015","72.0401","0.0013","1814.26","0.12","150","","150","","","","","","","","synthesis as described","7","P -1","-P 1","2","","","","- C37 H33 Cl5 N2 O2 P2 Ru -","- C37 H33 Cl5 N2 O2 P2 Ru -","- C74 H66 Cl10 N4 O4 P4 Ru2 -","2","1","","Sahoo, Apurba Ranjan; Jiang, Fan; Bruneau, Christian; Gangavaram, Sharma; Surisetti, Suresh; Roisnel, Thierry; Dorcet, Vincent; Achard, Mathieu","Phosphine-Pyridonate Ligands Containing Octahedral Ruthenium Complexes : Access to Esters and Formic Acid","Catal. Sci. Technol.","2017","","","","","10.1039/C7CY00932A","","x-ray","0.71073","MoKα","","0.0378","0.0295","","","0.0802","0.0867","","","","","","0.916","","","","has coordinates,has disorder","198607","2020-10-21","18:00:00",""
"1546513","13.1524","0.0005","14.2669","0.0006","18.7481","0.0008","90","","104.965","0.002","90","","3398.7","0.2","150","2","150","2","","","","","","","synthesis as described","7","P 1 21/n 1","-P 2yn","14","","","","- C35 H40 Cl2 N2 O3 P2 Ru -","- C35 H40 Cl2 N2 O3 P2 Ru -","- C140 H160 Cl8 N8 O12 P8 Ru4 -","4","1","","Sahoo, Apurba Ranjan; Jiang, Fan; Bruneau, Christian; Gangavaram, Sharma; Surisetti, Suresh; Roisnel, Thierry; Dorcet, Vincent; Achard, Mathieu","Phosphine-Pyridonate Ligands Containing Octahedral Ruthenium Complexes : Access to Esters and Formic Acid","Catal. Sci. Technol.","2017","","","","","10.1039/C7CY00932A","","x-ray","0.71073","MoKα","","0.0409","0.0301","","","0.0886","0.1028","","","","","","1.127","","","","has coordinates","198607","2020-10-21","18:00:00",""
"1546514","14.1626","0.0013","17.2124","0.0019","15.9415","0.0018","90","","110.623","0.003","90","","3637.1","0.7","150","2","150","2","","","","","","","synthesis as described","7","P 1 21/n 1","-P 2yn","14","","","","- C37 H34 Cl4 N2 O2 P2 Ru -","- C37 H34 Cl4 N2 O2 P2 Ru -","- C148 H136 Cl16 N8 O8 P8 Ru4 -","4","1","","Sahoo, Apurba Ranjan; Jiang, Fan; Bruneau, Christian; Gangavaram, Sharma; Surisetti, Suresh; Roisnel, Thierry; Dorcet, Vincent; Achard, Mathieu","Phosphine-Pyridonate Ligands Containing Octahedral Ruthenium Complexes : Access to Esters and Formic Acid","Catal. Sci. Technol.","2017","","","","","10.1039/C7CY00932A","","x-ray","0.71073","MoKα","","0.0896","0.0504","","","0.0992","0.1122","","","","","","1.074","","","","has coordinates,has disorder","198607","2020-10-21","18:00:00",""
"1546515","16.1179","0.0019","16.1688","0.0019","15.2936","0.0018","90","","107.19","0.004","90","","3807.6","0.8","150","","150","","","","","","","","synthesis as described","7","P 1 c 1","P -2yc","7","","","","- C38.5 H36 Cl N3 O3 P2 Ru -","- C38.5 H36 Cl N3 O3 P2 Ru -","- C154 H144 Cl4 N12 O12 P8 Ru4 -","4","2","","Sahoo, Apurba Ranjan; Jiang, Fan; Bruneau, Christian; Gangavaram, Sharma; Surisetti, Suresh; Roisnel, Thierry; Dorcet, Vincent; Achard, Mathieu","Phosphine-Pyridonate Ligands Containing Octahedral Ruthenium Complexes : Access to Esters and Formic Acid","Catal. Sci. Technol.","2017","","","","","10.1039/C7CY00932A","","x-ray","0.71073","MoKα","","0.0853","0.0732","","","0.1982","0.2105","","","","","","1.043","","","","has coordinates","214153","2020-10-21","18:00:00",""
"1546516","5.0215","0.0005","8.6681","0.0009","12.6928","0.0013","80.344","0.001","83.072","0.001","88.4","0.001","540.66","0.1","90","","90","","","","","","","","","5","P 1","P 1","1","","","","- C11 H12 F3 N O -","- C11 H12 F3 N O -","- C22 H24 F6 N2 O2 -","2","2","","Noto, Naoki; Koike, Takashi; Akita, Munetaka","Metal-free di- and tri-fluoromethylation of alkenes realized by visible-light-induced perylene photoredox catalysis","Chem. Sci.","2017","","","","","10.1039/C7SC01703K","","","0.71073","MoKα","","0.0211","0.021","","","0.0544","0.0545","","","","","","1.087","","","","has coordinates","198613","2020-10-21","18:00:00",""
"1546517","13.8754","0.0011","14.2531","0.0012","17.5717","0.0014","90","","90","","90","","3475.1","0.5","90","","90","","","","","","","","","5","P b c a","-P 2ac 2ab","61","DBXS","","","- C17 H19 B F6 S -","- C17 H19 B F6 S -","- C136 H152 B8 F48 S8 -","8","1","","Noto, Naoki; Koike, Takashi; Akita, Munetaka","Metal-free di- and tri-fluoromethylation of alkenes realized by visible-light-induced perylene photoredox catalysis","Chem. Sci.","2017","","","","","10.1039/C7SC01703K","","","0.71073","MoKα","","0.0306","0.0279","","","0.0694","0.072","","","","","","0.98","","","","has coordinates","198613","2020-10-21","18:00:00",""
"1546518","8.8605","0.0008","12.7157","0.0014","13.9809","0.0014","90","","90","","90","","1575.2","0.3","298","2","298","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C18 H14 F3 N O2 -","- C18 H14 F3 N O2 -","- C72 H56 F12 N4 O8 -","4","1","","jana, sadhan; Verma, Ajay; Kadu, Rahul Vilasrao; KUMAR, SANGIT","Visible-Light-Induced Oxidant and Metal-Free Dehydrogenative Cascade Trifluoromethylation and Oxidation of 1,6-Enynes with Water","Chem. Sci.","2017","","","","","10.1039/C7SC02556D","","x-ray","0.71073","MoKα","","0.0722","0.0445","","","0.0826","0.0914","","","","","","1.044","","","","has coordinates","198614","2020-10-21","18:00:00",""
"1546519","10.159","0.004","9.48","0.004","29.456","0.01","90","","90","","90","","2836.8","1.9","140","2","140","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C17 H11 F3 O3 -","- C17 H11 F3 O3 -","- C136 H88 F24 O24 -","8","1","","jana, sadhan; Verma, Ajay; Kadu, Rahul Vilasrao; KUMAR, SANGIT","Visible-Light-Induced Oxidant and Metal-Free Dehydrogenative Cascade Trifluoromethylation and Oxidation of 1,6-Enynes with Water","Chem. Sci.","2017","","","","","10.1039/C7SC02556D","","x-ray","0.71073","MoKα","","0.1075","0.0635","","","0.1258","0.1409","","","","","","1.081","","","","has coordinates","198614","2020-10-21","18:00:00",""
"1546520","5.4622","0.0003","15.8611","0.001","19.1121","0.001","90","","90","","90","","1655.81","0.16","139","2","139","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C21 H13 F3 O S -","- C21 H13 F3 O S -","- C84 H52 F12 O4 S4 -","4","1","","jana, sadhan; Verma, Ajay; Kadu, Rahul Vilasrao; KUMAR, SANGIT","Visible-Light-Induced Oxidant and Metal-Free Dehydrogenative Cascade Trifluoromethylation and Oxidation of 1,6-Enynes with Water","Chem. Sci.","2017","","","","","10.1039/C7SC02556D","","x-ray","0.71073","MoKα","","0.064","0.0418","","","0.0755","0.0826","","","","","","1.051","","","","has coordinates","198614","2020-10-21","18:00:00",""
"1546521","8.8354","0.0004","12.2152","0.0005","14.1439","0.0007","90","","90","","90","","1526.5","0.12","100","2","100","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C17 H11 Br F3 N O -","- C17 H11 Br F3 N O -","- C68 H44 Br4 F12 N4 O4 -","4","1","","jana, sadhan; Verma, Ajay; Kadu, Rahul Vilasrao; KUMAR, SANGIT","Visible-Light-Induced Oxidant and Metal-Free Dehydrogenative Cascade Trifluoromethylation and Oxidation of 1,6-Enynes with Water","Chem. Sci.","2017","","","","","10.1039/C7SC02556D","","x-ray","0.71073","MoKα","","0.0409","0.0317","","","0.0566","0.059","","","","","","1.044","","","","has coordinates","198614","2020-10-21","18:00:00",""
"1546522","9.7785","0.0007","24.6674","0.0017","11.7616","0.0008","90","","112.19","0.002","90","","2626.9","0.3","296","2","296","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C31 H26 Br2 N2 O2 -","- C31 H26 Br2 N2 O2 -","- C124 H104 Br8 N8 O8 -","4","1","","Kang, Zhenghui; Zhang, Dan; Hu, Wenhao","Regio- and Diastereoselective Three-Component Reactions via Trapping of Ammonium Ylides with N-Alkylquinolinium Salts: Synthesis of Multisubstituted Tetra- and Dihydroquinoline Derivatives.","Organic letters","2017","19","14","3783","3786","10.1021/acs.orglett.7b01664","","","0.71073","MoKα","","0.0607","0.0374","","","0.0723","0.08","","","","","","1.043","","","","has coordinates","200758","2020-10-21","18:00:00",""
"1546524","9.1369","0.0002","9.5857","0.0003","11.5538","0.0003","81.1656","0.0012","75.102","0.0011","71.2285","0.0011","923.11","0.04","296","2","296","2","","","","","","","","4","P -1","-P 1","2","","","","- C20 H19 N O5 -","- C20 H19 N O5 -","- C40 H38 N2 O10 -","2","1","","Mallik, Sumitava; Bhajammanavar, Vinod; Ramakrishna, Isai; Baidya, Mahiuddin","Cross-Aldol Reaction of Activated Carbonyls with Nitrosocarbonyl Intermediates: Stereoselective Synthesis toward α-Hydroxy-β-amino Esters and Amides.","Organic letters","2017","19","14","3843","3846","10.1021/acs.orglett.7b01721","","","0.71073","MoKα","","0.0699","0.0604","","","0.1697","0.1814","","","","","","1.046","","","","has coordinates","200757","2020-10-21","18:00:00",""
"1546525","14.2444","0.0005","19.1938","0.0006","14.3952","0.0006","90","","24.1526","0.0007","90","","1610.37","0.11","123","","123","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C34 H46 O6 Zn -","- C34 H46 O6 Zn -","- C68 H92 O12 Zn2 -","2","0.5","","Nishimoto, Yoshihiro; Kang, Kyoungmin; Yasuda, Makoto","Regio- and Stereoselective Anti-Carbozincation of Alkynyl Ethers Using ZnBr2 toward (Z)-β-Zincated Enol Ether Synthesis","Organic Letters","2017","","","","","10.1021/acs.orglett.7b01847","","","0.71075","MoKα","","0.0423","0.0395","","","0.1211","0.1247","","","","","","1.092","","","","has coordinates","198687","2020-10-21","18:00:00",""
"1546527","39.283","0.005","7.0114","0.0009","7.3524","0.0009","90","","94.433","0.002","90","","2019","0.4","297","2","297","2","","","","","","","","3","C 1 2 1","C 2y","5","","","","- C20 H32 O7.5 -","- C20 H32 O7.5 -","- C80 H128 O30 -","4","1","","Zhou, Junfei; Zhan, Guanqun; Zhang, Hanqi; Zhang, Qihua; Li, Ying; Xue, Yongbo; Yao, Guangmin","Rhodomollanol A, a Highly Oxygenated Diterpenoid with a 5/7/5/5 Tetracyclic Carbon Skeleton from the Leaves of Rhododendron molle.","Organic letters","2017","19","14","3935","3938","10.1021/acs.orglett.7b01863","","","1.54178","CuKα","","0.0639","0.0602","","","0.1627","0.164","","","","","","1.013","","","","has coordinates,has disorder","200756","2020-10-21","18:00:00",""
"1546528","20.6097","0.0011","8.9853","0.0004","21.9169","0.0008","90","","90","","90","","4058.7","0.3","298.84","0.1","298.84","0.1","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C21 H23 N O5 S -","- C21 H23 N O5 S -","- C168 H184 N8 O40 S8 -","8","1","","Li, Xing-Shuo; Zhao, Liang-Liang; Wang, Xiao-Ke; Cao, Li−Li; Shi, Xiao-Qian; Zhang, Rui; Qi, Jing","Enantioselective [3 + 2] Annulation of Enals with 2-Aminoacrylates Catalyzed by N-Heterocyclic Carbene","Organic Letters","2017","","","","","10.1021/acs.orglett.7b01860","","x-ray","0.71073","MoKα","","0.1231","0.0633","","","0.1358","0.1752","","","","","","1.044","","","","has coordinates","198695","2020-10-21","18:00:00",""
"1546529","9.3234","0.0009","9.9427","0.001","13.0102","0.0013","78.305","0.003","78.596","0.003","73.067","0.003","1117.35","0.19","100","","100","","","","","","","","","5","P -1","-P 1","2","","N,N-Dibenzyl-1,2-dimethyl-5-tosyl-1H-imidazol-4-amine","","- C26 H27 N3 O2 S -","- C26 H27 N3 O2 S -","- C52 H54 N6 O4 S2 -","2","1","","Di Mauro, Giovanni; Maryasin, Boris; Kaiser, Daniel; Shaaban, Saad; González, Leticia; Maulide, Nuno","Mechanistic Pathways in Amide Activation: Flexible Synthesis of Oxazoles and Imidazoles.","Organic letters","2017","19","14","3815","3818","10.1021/acs.orglett.7b01678","","","1.54178","CuKα","","0.0375","0.0365","","","0.0939","0.0947","","","","","","1.069","","","","has coordinates","200760","2020-10-21","18:00:00",""
"1546530","9.7034","0.0014","11.4834","0.0018","12.9123","0.0017","91.785","0.003","100.949","0.003","98.523","0.003","1394.4","0.3","93","2","93","2","","","","","","","","2","P -1","-P 1","2","","","","- C40 H40 -","- C40 H40 -","- C80 H80 -","2","1","","Suzuki, Yusuke; Yamada, Kohei; Watanabe, Kentaro; Kochi, Takuya; Ie, Yutaka; Aso, Yoshio; Kakiuchi, Fumitoshi","Synthesis of Dibenzo[h,rst]pentaphenes and Dibenzo[fg,qr]pentacenes by the Chemoselective C‒O Arylation of Dimethoxyanthraquinones","Organic Letters","2017","","","","","10.1021/acs.orglett.7b01666","","","0.71075","MoKα","","0.1086","0.0571","","","0.1744","0.2128","","","","","","0.976","","","","has coordinates","198697","2020-10-21","18:00:00",""
"1546531","5.4448","0.0019","15.148","0.005","18.847","0.006","108.948","0.006","100.966","0.007","91.599","0.007","1436.6","0.8","93","2","93","2","","","","","","","","2","P -1","-P 1","2","","","","- C40 H40 -","- C40 H40 -","- C80 H80 -","2","1","","Suzuki, Yusuke; Yamada, Kohei; Watanabe, Kentaro; Kochi, Takuya; Ie, Yutaka; Aso, Yoshio; Kakiuchi, Fumitoshi","Synthesis of Dibenzo[h,rst]pentaphenes and Dibenzo[fg,qr]pentacenes by the Chemoselective C‒O Arylation of Dimethoxyanthraquinones","Organic Letters","2017","","","","","10.1021/acs.orglett.7b01666","","","0.71075","MoKα","","0.202","0.0917","","","0.2307","0.3212","","","","","","0.96","","","","has coordinates","198697","2020-10-21","18:00:00",""
"1546532","28.3369","0.0004","28.3369","0.0004","58.9056","0.0013","90","","90","","120","","40963","1.2","120","2","120","2","","","","","","","","5","P 3 2 1","P 3 2""","150","","","","- C56 H74 N21 O11 P2 -","- C56 H74 N21 O11 P2 -","- C336 H444 N126 O66 P12 -","6","1","","Mungalpara, Disha; Valkonen, Arto; Rissanen, Kari; Kubik, Stefan","Efficient stabilisation of a dihydrogenphosphate tetramer and a dihydrogenpyrophosphate dimer by a cyclic pseudopeptide containing 1,4-disubstituted 1,2,3-triazole moieties","Chem. Sci.","2017","","","","","10.1039/C7SC02700A","","","1.54184","CuKα","","0.1571","0.1378","","","0.3698","0.3929","","","","","","1.355","","","","has coordinates","198705","2020-10-21","18:00:00",""
"1546533","26.9085","0.0008","36.123","0.0011","41.16","0.003","90","","92.306","0.004","90","","39976","3","123","2","123","2","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C498 H722 N171 O97 P16 S -","- C498 H722 N171 O97 P16 S -","- C996 H1444 N342 O194 P32 S2 -","2","1","","Mungalpara, Disha; Valkonen, Arto; Rissanen, Kari; Kubik, Stefan","Efficient stabilisation of a dihydrogenphosphate tetramer and a dihydrogenpyrophosphate dimer by a cyclic pseudopeptide containing 1,4-disubstituted 1,2,3-triazole moieties","Chem. Sci.","2017","","","","","10.1039/C7SC02700A","","","1.54184","CuKα","","0.2948","0.1303","","","0.3123","0.4534","","","","","","0.941","","","","has coordinates","198705","2020-10-21","18:00:00",""
"1546534","22.1903","0.0003","31.9713","0.0004","61.8821","0.0004","76.0283","0.0008","79.8139","0.0008","73.4101","0.0011","40554.3","0.8","123","2","123","2","","","","","","","","5","P -1","-P 1","2","","","","- C585 H888 N173 O108 P16 -","- C585 H888 N173 O108 P16 -","- C1170 H1776 N346 O216 P32 -","2","1","","Mungalpara, Disha; Valkonen, Arto; Rissanen, Kari; Kubik, Stefan","Efficient stabilisation of a dihydrogenphosphate tetramer and a dihydrogenpyrophosphate dimer by a cyclic pseudopeptide containing 1,4-disubstituted 1,2,3-triazole moieties","Chem. Sci.","2017","","","","","10.1039/C7SC02700A","","","1.54184","CuKα","","0.1171","0.08","","","0.2302","0.271","","","","","","1.025","","","","has coordinates,has disorder","198705","2020-10-21","18:00:00",""
"1546535","28.2322","0.0003","28.4659","0.0003","39.1611","0.0005","72.431","0.001","82.444","0.001","60.389","0.001","26079.5","0.6","120","2","120","2","","","","","","","","6","P -1","-P 1","2","","","","- C224 H354 N66 O38.61 P6 S4 -","- C224 H354 N66 O38.6135 P6 S4 -","- C896 H1416 N264 O154.454 P24 S16 -","4","2","","Mungalpara, Disha; Valkonen, Arto; Rissanen, Kari; Kubik, Stefan","Efficient stabilisation of a dihydrogenphosphate tetramer and a dihydrogenpyrophosphate dimer by a cyclic pseudopeptide containing 1,4-disubstituted 1,2,3-triazole moieties","Chem. Sci.","2017","","","","","10.1039/C7SC02700A","","","1.54184","CuKα","","0.1375","0.1161","","","0.3604","0.3926","","","","","","1.671","","","","has coordinates,has disorder","198705","2020-10-21","18:00:00",""
"1546536","16.1035","0.0007","16.1035","0.0007","12.2637","0.0006","90","","90","","120","","2754.2","0.2","293","2","293","2","","","","","","","","5","R 3 2 :H","R 3 2""","155","","","","- Co H48 Mo9 N6 O44 -","- Co H63 Mo9 N6 O44 -","- Co3 H189 Mo27 N18 O132 -","3","0.166667","","Chen, Yongdong; Zhang, Chaolei; Caoping, Yang; Zhang, Jiangwei; zheng, Kai; Fang, Qihua; Li, Gao","Waugh type [CoMo9O32]6- cluster with atomically dispersed Co3+ derives from Anderson type [CoMo6O24]3- for photocatalytic oxygen molecule activation","Nanoscale","2017","","","","","10.1039/C7NR04373B","","","0.71073","MoKα","","0.0392","0.0387","","","0.0861","0.0866","","","","","","1.091","","","","has coordinates","204139","2020-10-21","18:00:00",""
"1546537","11.432","0.002","10.997","0.002","11.725","0.002","90","","99.86","0.03","90","","1452.3","0.5","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- Co H28 Mo6 N O32 -","- Co H32 Mo6 N2 O32 -","- Co2 H64 Mo12 N4 O64 -","2","0.5","","Chen, Yongdong; Zhang, Chaolei; Caoping, Yang; Zhang, Jiangwei; zheng, Kai; Fang, Qihua; Li, Gao","Waugh type [CoMo9O32]6- cluster with atomically dispersed Co3+ derives from Anderson type [CoMo6O24]3- for photocatalytic oxygen molecule activation","Nanoscale","2017","","","","","10.1039/C7NR04373B","","","0.71073","MoKα","","0.0617","0.0588","","","0.1064","0.1184","","","","","","1.026","","","","has coordinates,has disorder","198712","2020-10-21","18:00:00",""
"1546538","28.9533","0.0018","12.1295","0.0005","24.9285","0.0015","90","","113.233","0.007","90","","8044.7","0.9","100.1","0.14","100.1","0.14","","","","","","","","3","C 1 2/c 1","-C 2yc","15","","","","- C22 H28 O4 -","- C22 H28 O4 -","- C352 H448 O64 -","16","2","","Ivanov, Maxim V.; Wadumethrige, Shriya H.; Wang, Denan; Rathore, Rajendra","Through-Space or Through-Bond? The Important Role of Cofaciality in Orbital Reordering and Its Implications for Hole (De)stabilization in Polychromophoric Assemblies","The Journal of Physical Chemistry C","2017","121","29","15639","","10.1021/acs.jpcc.7b05804","","","0.7107","MoKα","","0.0638","0.0473","","","0.148","0.1621","","","","","","1.071","","","","has coordinates","200716","2020-10-21","18:00:00",""
"1546539","16.9235","0.0014","9.5861","0.0007","9.9959","0.0007","90","","90","","90","","1621.6","0.2","200","","200","","","","","","","","","5","P c a 21","P 2c -2ac","29","","PhCH(CH2CH2SEt)NHCOPh","","- C18 H21 N O S -","- C18 H21 N O S -","- C72 H84 N4 O4 S4 -","4","1","","Ishido, Yuki; Kanbayashi, Naoya; Okamura, Taka-aki; Onitsuka, Kiyotaka","Synthesis of Nonnatural Helical Polypeptide via Asymmetric Polymerization and Reductive Cleavage of N‒O Bond","Macromolecules","2017","50","14","5301","","10.1021/acs.macromol.7b01426","","","0.71075","MoKα","","0.1063","0.0579","","","0.0961","0.1097","","","","","","1.021","","","","has coordinates","200720","2020-10-21","18:00:00",""
"1546540","13.548","0.005","18.581","0.009","20.379","0.007","90","","100.01","0.02","90","","5052","4","100","","100","","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","DH-113","","- C36 H76 Nb O2 P3 Si6 -","- C36 H76 Nb O2 P3 Si6 -","- C144 H304 Nb4 O8 P12 Si24 -","4","1","","Filippou, Alexander C.; Hoffmann, David; Schnakenburg, Gregor","Triple bonds of niobium with silicon, germaniun and tin: the tetrylidyne complexes [(κ3-tmps)(CO)2NbE‒R] (E = Si, Ge, Sn; tmps = MeSi(CH2PMe2)3; R = aryl)","Chem. Sci.","2017","","","","","10.1039/C7SC02708G","","","0.71073","MoKα","","0.287","0.0815","","","0.1404","0.1713","","","","","","0.826","","","","has coordinates","198734","2020-10-21","18:00:00",""
"1546541","20.237","0.003","15.315","0.002","9.1804","0.0013","90","","90","","90","","2845.3","0.7","100","2","100","2","","","","","","","","6","P n m a","-P 2ac 2n","62","","","","- C32 H30 Cl Ge Nb O3 -","- C32 H30 Cl Ge Nb O3 -","- C128 H120 Cl4 Ge4 Nb4 O12 -","4","0.5","","Filippou, Alexander C.; Hoffmann, David; Schnakenburg, Gregor","Triple bonds of niobium with silicon, germaniun and tin: the tetrylidyne complexes [(κ3-tmps)(CO)2NbE‒R] (E = Si, Ge, Sn; tmps = MeSi(CH2PMe2)3; R = aryl)","Chem. Sci.","2017","","","","","10.1039/C7SC02708G","","","0.71073","MoKα","","0.0599","0.0384","","","0.0834","0.0907","","","","","","1.066","","","","has coordinates","198734","2020-10-21","18:00:00",""
"1546542","8.5148","0.0006","23.2579","0.0016","12.0766","0.0008","90","","108.779","0.002","90","","2264.3","0.3","100","","100","","","","","","","","","7","P 1 21 1","P 2yb","4","","","","- C43 H60 Nb O2 P3 Si Sn -","- C43 H60 Nb O2 P3 Si Sn -","- C86 H120 Nb2 O4 P6 Si2 Sn2 -","2","1","","Filippou, Alexander C.; Hoffmann, David; Schnakenburg, Gregor","Triple bonds of niobium with silicon, germaniun and tin: the tetrylidyne complexes [(κ3-tmps)(CO)2NbE‒R] (E = Si, Ge, Sn; tmps = MeSi(CH2PMe2)3; R = aryl)","Chem. Sci.","2017","","","","","10.1039/C7SC02708G","","","0.71073","MoKα","","0.0782","0.0703","","","0.1707","0.1737","","","","","","1.233","","","","has coordinates","198734","2020-10-21","18:00:00",""
"1546543","8.418","0.0003","22.9239","0.0007","11.8653","0.0005","90","","107.548","0.0016","90","","2183.14","0.14","123","","123.15","","","","","","","","","7","P 1 21 1","P 2yb","4","","DH-34-2","","- C40 H60 Ge Nb O3 P3 Si -","- C40 H60 Ge Nb O3 P3 Si -","- C80 H120 Ge2 Nb2 O6 P6 Si2 -","2","1","","Filippou, Alexander C.; Hoffmann, David; Schnakenburg, Gregor","Triple bonds of niobium with silicon, germaniun and tin: the tetrylidyne complexes [(κ3-tmps)(CO)2NbE‒R] (E = Si, Ge, Sn; tmps = MeSi(CH2PMe2)3; R = aryl)","Chem. Sci.","2017","","","","","10.1039/C7SC02708G","","","0.71073","MoKα","","0.0305","0.0283","","","0.0666","0.0675","","","","","","1.027","","","","has coordinates","198734","2020-10-21","18:00:00",""
"1546544","14.5554","0.0003","7.8349","0.0001","15.1967","0.0003","90","","98.883","0.002","90","","1712.25","0.05","295","2","295","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C22 H17 N O3 -","- C22 H17 N O3 -","- C88 H68 N4 O12 -","4","1","","Raju, Selvam; Annamalai, Pratheepkumar; Chen, Pei-Ling; Liu, Yi-Hung; Chuang, Shih-Ching","Palladium-Catalyzed C-H Bond Activation by Using Iminoquinone as a Directing Group and an Internal Oxidant or a Co-oxidant: Production of Dihydrophenanthridines, Phenanthridines, and Carbazoles.","Organic letters","2017","19","15","4134","4137","10.1021/acs.orglett.7b01956","","","1.54178","CuKα","","0.0544","0.0443","","","0.1197","0.1293","","","","","","1.048","","","","has coordinates","199595","2020-10-21","18:00:00",""
"1546545","9.596","0.003","29.048","0.01","7.218","0.003","90","","108.926","0.013","90","","1903.2","1.2","100","2","100","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C23 H22 N2 O2 -","- C23 H22 N2 O2 -","- C92 H88 N8 O8 -","4","1","","Raju, Selvam; Annamalai, Pratheepkumar; Chen, Pei-Ling; Liu, Yi-Hung; Chuang, Shih-Ching","Palladium-Catalyzed C-H Bond Activation by Using Iminoquinone as a Directing Group and an Internal Oxidant or a Co-oxidant: Production of Dihydrophenanthridines, Phenanthridines, and Carbazoles.","Organic letters","2017","19","15","4134","4137","10.1021/acs.orglett.7b01956","","","0.71073","MoKα","","0.1053","0.0692","","","0.1972","0.2309","","","","","","1.077","","","","has coordinates","199595","2020-10-21","18:00:00",""
"1546546","12.1959","0.0004","6.6152","0.0002","19.9552","0.0007","90","","91.621","0.003","90","","1609.31","0.09","200","2","200","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C19 H12 F3 N O2 -","- C19 H12 F3 N O2 -","- C76 H48 F12 N4 O8 -","4","1","","Raju, Selvam; Annamalai, Pratheepkumar; Chen, Pei-Ling; Liu, Yi-Hung; Chuang, Shih-Ching","Palladium-Catalyzed C-H Bond Activation by Using Iminoquinone as a Directing Group and an Internal Oxidant or a Co-oxidant: Production of Dihydrophenanthridines, Phenanthridines, and Carbazoles.","Organic letters","2017","19","15","4134","4137","10.1021/acs.orglett.7b01956","","","1.54178","CuKα","","0.0864","0.0497","","","0.1327","0.1721","","","","","","0.857","","","","has coordinates","199595","2020-10-21","18:00:00",""
"1546547","5.5334","0.0001","43.1272","0.001","9.0409","0.0002","90","","97.636","0.002","90","","2138.39","0.08","200","2","200","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C24 H15 F6 N O4 -","- C24 H15 F6 N O4 -","- C96 H60 F24 N4 O16 -","4","1","","Raju, Selvam; Annamalai, Pratheepkumar; Chen, Pei-Ling; Liu, Yi-Hung; Chuang, Shih-Ching","Palladium-Catalyzed C-H Bond Activation by Using Iminoquinone as a Directing Group and an Internal Oxidant or a Co-oxidant: Production of Dihydrophenanthridines, Phenanthridines, and Carbazoles.","Organic letters","2017","19","15","4134","4137","10.1021/acs.orglett.7b01956","","","1.54178","CuKα","","0.0812","0.0599","","","0.1548","0.1738","","","","","","1.039","","","","has coordinates","199595","2020-10-21","18:00:00",""
"1546548","11.1451","0.0016","15.552","0.002","6.9737","0.001","90","","98.57","0.002","90","","1195.2","0.3","296","2","296","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C16 H11 N3 -","- C16 H11 N3 -","- C64 H44 N12 -","4","1","","Yang, Yuan; Yu, Jiang-Xi; Ouyang, Xuan-Hui; Li, Jin-Heng","Complex Annulations through Silver Carbenoid Intermediate: An Alternative Entry to Transformations of 1,2,3-Triazoles.","Organic letters","2017","19","15","3982","3985","10.1021/acs.orglett.7b01682","","","0.71073","MoKα","","0.075","0.0687","","","0.2132","0.2244","","","","","","1.061","","","","has coordinates","200764","2020-10-21","18:00:00",""
"1546549","7.9367","0.0005","11.4018","0.0005","16.9261","0.0008","90","","90","","90","","1531.69","0.14","294.06","0.1","294.06","0.1","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C18 H19 Cl N2 O -","- C18 H19 Cl N2 O -","- C72 H76 Cl4 N8 O4 -","4","1","","Zeng, Jun; Zhang, Dong-Bo; Zhou, Pan-Pan; Zhang, Qi-Li; Zhao, Lei; Chen, Jian-Jun; Gao, Kun","Rauvomines A and B, Two Monoterpenoid Indole Alkaloids from Rauvolfia vomitoria.","Organic letters","2017","19","15","3998","4001","10.1021/acs.orglett.7b01723","","x-ray","0.71073","MoKα","","0.1","0.0576","","","0.0894","0.109","","","","","","1.075","","","","has coordinates","200765","2020-10-21","18:00:00",""
"1546550","9.0845","0.001","5.3436","0.0005","15.3509","0.0015","90","","95.567","0.004","90","","741.68","0.13","296","2","296","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","1,4-Bis(4-bromobutoxy)benzene","","- C14 H20 Br2 O2 -","- C14 H20 Br2 O2 -","- C28 H40 Br4 O4 -","2","0.5","HB4156","Maragatham, Gunasekaran; Selvarani, Sivasamy; Rajakumar, Perumal; Lakshmi, Srinivasakannan","1,4-Bis(4-bromobutoxy)benzene","IUCrData","2017","2","7","x171004","","10.1107/S2414314617010045","","","0.71073","MoKα","","0.0324","0.0237","","","0.0489","0.0517","","","","","","1.056","","","","has coordinates,has Fobs","198836","2020-10-21","18:00:00",""
"1546551","7.4927","0.0006","15.2501","0.0019","8.5522","0.0009","90","","94.923","0.009","90","","973.61","0.18","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","Methyl 2-cyano-2-(1,3-dithian-2-ylidene)acetate","","- C8 H9 N O2 S2 -","- C8 H9 N O2 S2 -","- C32 H36 N4 O8 S8 -","4","1","SU5381","Hamdouni, Noudjoud; Boudjada, Ali; Meinnel, Jean; Fiala, Abdelali; Brahim Ladouani, Hayet; Lemallem, Salah Eddine","Methyl 2-cyano-2-(1,3-dithian-2-ylidene)acetate","IUCrData","2017","2","7","x171018","","10.1107/S2414314617010185","","","0.7107","MoKα","","0.114","0.0583","","","0.1271","0.1545","","","","","","0.996","","","","has coordinates,has Fobs","198837","2020-10-21","18:00:00",""
"1546552","9.1211","0.0006","14.6521","0.0009","14.2448","0.0009","90","","104.037","0.001","90","","1846.9","0.2","296","2","296","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","3-[2-(5-Oxo-4,4-diphenyl-2-sulfanylideneimidazolidin-1-yl)ethyl]-1,3-oxazolidin-2-one","","- C20 H19 N3 O3 S -","- C20 H19 N3 O3 S -","- C80 H76 N12 O12 S4 -","4","1","ZQ4023","Ramli, Youssef; Guerrab, Walid; Moussaif, Ahmed; Taoufik, Jamal; Essassi, El Mokhtar; Mague, Joel T.","3-[2-(5-Oxo-4,4-diphenyl-2-sulfanylideneimidazolidin-1-yl)ethyl]-1,3-oxazolidin-2-one","IUCrData","2017","2","7","x171041","","10.1107/S2414314617010410","","","0.71073","MoKα","","0.0572","0.0456","","","0.1267","0.1355","","","","","","1.071","","","","has coordinates,has Fobs","198838","2020-10-21","18:00:00",""
"1546553","8.8083","0.0011","6.6316","0.0009","15.068","0.002","90","","99.539","0.004","90","","868","0.2","296","2","296","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","Creatininium phosphite","2-Amino-1-methyl-4-oxo-4,5-dihydro-1<i>H</i>-imidazol-3-ium phosphite","","- C4 H10 N3 O4 P -","- C4 H10 N3 O4 P -","- C16 H40 N12 O16 P4 -","4","1","BT4053","Sindhusha, S.; Padma, C. M.; Gunasekaran, B.","Creatininium phosphite","IUCrData","2017","2","7","x171043","","10.1107/S2414314617010434","","","0.71073","MoKα","","0.105","0.0561","","","0.1311","0.1517","","","","","","1.097","","","","has coordinates,has Fobs","198839","2020-10-21","18:00:00",""
"1546554","3.7716","0.0006","10.3959","0.0015","12.328","0.0018","78.017","0.002","83.431","0.002","81.266","0.002","465.63","0.12","100","2","100","2","","","","","","","","4","P -1","-P 1","2","","3-Acetyl-2-methyl-4<i>H</i>-pyrido[1,2-<i>a</i>]pyrimidin-4-one","","- C11 H10 N2 O2 -","- C11 H10 N2 O2 -","- C22 H20 N4 O4 -","2","1","WM4051","Lahmidi, Sanae; Abad, Nadeem; Boulhaoua, Mohammed; Sebbar, Nada Kheira; Essassi, El Mokhtar; Mague, Joel T.","3-Acetyl-2-methyl-4<i>H</i>-pyrido[1,2-<i>a</i>]pyrimidin-4-one","IUCrData","2017","2","7","x170991","","10.1107/S2414314617009919","","","0.71073","MoKα","","0.0592","0.0488","","","0.1295","0.136","","","","","","0.997","","","","has coordinates,has Fobs","198840","2020-10-21","18:00:00",""
"1546555","7.4093","0.0004","7.9779","0.0003","8.625","0.0003","67.3","0.004","85.9","0.004","74.068","0.004","451.93","0.04","100","2","100","2","","","","","","","","4","P -1","-P 1","2","","2-(Ethoxycarbonothioylthio)propanoic acid","","- C6 H10 O3 S2 -","- C6 H10 O3 S2 -","- C12 H20 O6 S4 -","2","1","HG4023","Eyer, Lukas N.; McAdam, C. John; Simpson, Jim","2-(Ethoxycarbonothioylthio)propanoic acid","IUCrData","2017","2","7","x171035","","10.1107/S2414314617010355","","","1.54184","CuKα","","0.0485","0.0467","","","0.1253","0.128","","","","","","1.064","","","","has coordinates,has disorder,has Fobs","198841","2020-10-21","18:00:00",""
"1546557","12.7971","0.0006","12.8687","0.0004","15.4609","0.0007","99.546","0.003","92.234","0.004","106.915","0.004","2391.96","0.18","150","2","150","2","","","","","","","","7","P -1","-P 1","2","","","","- C43 H64 Cl4 N4 O3 Si Zn2 -","- C43 H64 Cl4 N4 O3 Si Zn2 -","- C86 H128 Cl8 N8 O6 Si2 Zn4 -","2","1","","Yao, Shenglai; Xiong, Yun; Driess, Matthias","A New Area in Main-Group Chemistry: Zerovalent Monoatomic Silicon Compounds and Their Analogues","Accounts of Chemical Research","2017","","","","","10.1021/acs.accounts.7b00285","","","1.54184","CuKα","","0.0553","0.0522","","","0.1501","0.1537","","","","","","1.112","","","","has coordinates,has disorder","198859","2020-10-21","18:00:00",""
"1546558","6.5861","0.0014","11.262","0.003","27.326","0.006","90","","90","","90","","2026.8","0.8","298","","298","","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C20 H26 I2 -","- C20 H26 I2 -","- C80 H104 I8 -","4","1","","Ogasawara, Masamichi; Sasa, Hirotaka; Hu, Hao; Amano, Yuta; Nakajima, Hikaru; Takenaga, Naoko; Nakajima, Kiyohiko; Kita, Yasuyuki; Takahashi, Tamotsu; Dohi, Toshifumi","Atropisomeric Chiral Diiododienes (Z,Z)-2,3-Di(1-iodoalkylidene)tetralins: Synthesis, Enantiomeric Resolution, and Application in Asymmetric Catalysis","Organic Letters","2017","","","","","10.1021/acs.orglett.7b01876","","","0.71075","MoKα","","","0.0266","","","","0.0649","","","","","","1.027","","","","has coordinates","198863","2020-10-21","18:00:00",""
"1546559","20.1291","0.0004","36.079","0.003","5.9649","0.0001","90","","90","","90","","4331.9","0.4","85","2","85","2","","","","","","","","3","F d d 2","F 2 -2d","43","","","","- C12 H18 O2 -","- C12 H18 O2 -","- C192 H288 O32 -","16","1","","Armaly, Ahlam M.; Bar, Sukanta; Schindler, Corinna S.","Aluminum Chloride-Mediated Dieckmann Cyclization for the Synthesis of Cyclic 2-Alkyl-1,3-alkanediones: One-Step Synthesis of the Chiloglottones.","Organic letters","2017","19","15","3958","3961","10.1021/acs.orglett.7b01622","","","1.54178","CuKα","","0.0277","0.0276","","","0.0685","0.0686","","","","","","1.091","","","","has coordinates","200763","2020-10-21","18:00:00",""
"1546560","11.2281","0.0005","9.6521","0.0005","24.3706","0.0011","90","","101.793","0.002","90","","2585.4","0.2","100","2","100","2","","","","","","","","3","P 1 21 1","P 2yb","4","","","","- C29 H26 O7 -","- C29 H26 O7 -","- C116 H104 O28 -","4","2","","Wang, Zhen; Wang, Tianli; Yao, Weijun; Lu, Yixin","Phosphine-Catalyzed Enantioselective [4 + 2] Annulation of o-Quinone Methides with Allene Ketones","Organic Letters","2017","","","","","10.1021/acs.orglett.7b01936","","","1.54178","CuKα","","0.044","0.0404","","","0.0984","0.1008","","","","","","1.038","","","","has coordinates","198865","2020-10-21","18:00:00",""
"1546561","5.4465","0.0003","12.4107","0.0007","14.8394","0.0009","90","","92.621","0.002","90","","1002.02","0.1","100","2","100","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C24 H20 O5 S -","- C24 H20 O5 S -","- C48 H40 O10 S2 -","2","1","","Wang, Zhen; Wang, Tianli; Yao, Weijun; Lu, Yixin","Phosphine-Catalyzed Enantioselective [4 + 2] Annulation of o-Quinone Methides with Allene Ketones","Organic Letters","2017","","","","","10.1021/acs.orglett.7b01936","","","0.71073","MoKα","","0.0479","0.0358","","","0.087","0.092","","","","","","1.059","","","","has coordinates","198866","2020-10-21","18:00:00",""
"1546562","7.69085","0.00014","7.90495","0.00014","21.4299","0.0004","90","","90","","90","","1302.85","0.04","150","","150","","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C14 H20 O4 -","- C14 H20 O4 -","- C56 H80 O16 -","4","1","","Otaka, Junnosuke; Hashizume, Daisuke; Masumoto, Yui; Muranaka, Atsuya; Uchiyama, Masanobu; Koshino, Hiroyuki; Futamura, Yushi; Osada, Hiroyuki","Hitoyol A and B, Two Norsesquiterpenoids from the Basidiomycete Coprinopsis cinerea","Organic Letters","2017","","","","","10.1021/acs.orglett.7b01784","","","1.54187","CuKα","","0.0403","0.0364","","","0.085","0.0861","","","","","","1.105","","","","has coordinates","198867","2020-10-21","18:00:00",""
"1546563","8.56023","0.00006","16.3196","0.00016","6.91885","0.00005","90","","94.8033","0.0007","90","","963.166","0.014","123.01","0.1","123.01","0.1","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C8 H6 Br2 O4 -","- C8 H6 Br2 O4 -","- C32 H24 Br8 O16 -","4","1","","Simeth, Nadja; Kneuttinger, Andrea; Sterner, Reinhard; Koenig, Burkhard","Photochromic Coenzyme Q Derivatives: Switching Redox Potentials with Light","Chem. Sci.","2017","","","","","10.1039/C7SC00781G","","x-ray","1.54184","CuKα","","0.0276","0.0271","","","0.0685","0.0688","","","","","","1.191","","","","has coordinates","198869","2020-10-21","18:00:00",""
"1546564","21.5686","0.0012","5.8077","0.0003","18.0356","0.001","90","","110.13","0.0016","90","","2121.2","0.2","120","2","120","2","","","","","","","","3","C 1 2/c 1","-C 2yc","15","","CG-P2-L1-EtOAc N-(2-pyridylmethyl)-2,2-biimidazole","","- C12 H11 N5 -","- C12 H11 N5 -","- C96 H88 N40 -","8","1","","Gunawardana, C. A.; Desper, J.; Sinha, A. S.; Ðaković, M.; Aakeröy, C. B.","Competition and selectivity in supramolecular synthesis: structural landscape around 1-(pyridylmethyl)-2,2′-biimidazoles","Faraday Discuss.","2017","","","","","10.1039/C7FD00080D","","","0.71073","MoKα","","0.0479","0.0421","","","0.1138","0.1188","","","","","","1.083","","","","has coordinates","198878","2020-10-21","18:00:00",""
"1546565","17.386","0.002","19.378","0.003","19.435","0.003","92.996","0.005","106.71","0.005","106.56","0.004","5946.6","1.5","120","2","120","2","","","","","","","","5","P -1","-P 1","2","","CG-P2-A3-D7 [N-(4-pyridylmethyl)-2,2-biimidazole]2, 1,2-diiodotetrafluorobenzene","","- C30 H22 F4 I2 N10 -","- C30 H22 F4 I2 N10 -","- C240 H176 F32 I16 N80 -","8","4","","Gunawardana, C. A.; Desper, J.; Sinha, A. S.; Ðaković, M.; Aakeröy, C. B.","Competition and selectivity in supramolecular synthesis: structural landscape around 1-(pyridylmethyl)-2,2′-biimidazoles","Faraday Discuss.","2017","","","","","10.1039/C7FD00080D","","","0.71073","MoKα","","0.0968","0.0621","","","0.1752","0.1994","","","","","","1.174","","","","has coordinates","198878","2020-10-21","18:00:00",""
"1546566","17.295","0.002","4.8014","0.0007","21.977","0.003","90","","90.912","0.011","90","","1824.7","0.4","296","2","296","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C18 H21 N5 O4 -","- C18 H21 N5 O4 -","- C72 H84 N20 O16 -","4","1","","Gunawardana, C. A.; Desper, J.; Sinha, A. S.; Ðaković, M.; Aakeröy, C. B.","Competition and selectivity in supramolecular synthesis: structural landscape around 1-(pyridylmethyl)-2,2′-biimidazoles","Faraday Discuss.","2017","","","","","10.1039/C7FD00080D","","","0.71073","MoKα","","0.1074","0.0595","","","0.1513","0.1791","","","","","","1.018","","","","has coordinates","198878","2020-10-21","18:00:00",""
"1546567","5.493","0.002","10.339","0.004","10.611","0.004","112.83","0.02","99.24","0.03","94.16","0.03","542.1","0.4","130","2","130","2","","","","","","","","3","P -1","-P 1","2","","","","- C12 H11 N5 -","- C12 H11 N5 -","- C24 H22 N10 -","2","1","","Gunawardana, C. A.; Desper, J.; Sinha, A. S.; Ðaković, M.; Aakeröy, C. B.","Competition and selectivity in supramolecular synthesis: structural landscape around 1-(pyridylmethyl)-2,2′-biimidazoles","Faraday Discuss.","2017","","","","","10.1039/C7FD00080D","","","0.71073","MoKα","","0.13","0.0892","","","0.2307","0.2587","","","","","","1.101","","","","has coordinates","198878","2020-10-21","18:00:00",""
"1546568","6.4269","0.0001","9.9656","0.0002","13.5194","0.0003","96.691","0.001","95.686","0.001","100.603","0.001","838.84","0.03","296","2","296","2","","","","","","","","4","P -1","-P 1","2","","","","- C19 H17 N5 O2 -","- C19 H17 N5 O2 -","- C38 H34 N10 O4 -","2","1","","Gunawardana, C. A.; Desper, J.; Sinha, A. S.; Ðaković, M.; Aakeröy, C. B.","Competition and selectivity in supramolecular synthesis: structural landscape around 1-(pyridylmethyl)-2,2′-biimidazoles","Faraday Discuss.","2017","","","","","10.1039/C7FD00080D","","","1.54178","CuKα","","0.0421","0.0415","","","0.1034","0.1038","","","","","","1.133","","","","has coordinates","198878","2020-10-21","18:00:00",""
"1546569","5.0716","0.0009","11.314","0.002","14.051","0.003","90.818","0.007","99.19","0.006","99.925","0.006","783.3","0.3","120","2","120","2","","","","","","","","4","P -1","-P 1","2","","CG-P1-A1-HBD1 N-(2-pyridylmethyl)-2,2-biimidazole, HOOC-(CH2)2-COOH","","- C16 H17 N5 O4 -","- C16 H17 N5 O4 -","- C32 H34 N10 O8 -","2","1","","Gunawardana, C. A.; Desper, J.; Sinha, A. S.; Ðaković, M.; Aakeröy, C. B.","Competition and selectivity in supramolecular synthesis: structural landscape around 1-(pyridylmethyl)-2,2′-biimidazoles","Faraday Discuss.","2017","","","","","10.1039/C7FD00080D","","","0.71073","MoKα","","0.0501","0.0418","","","0.1147","0.1226","","","","","","1.034","","","","has coordinates","198878","2020-10-21","18:00:00",""
"1546570","5.0691","0.0014","8.055","0.002","19.75","0.005","93.952","0.013","93.442","0.012","105.938","0.016","771","0.4","130","2","130","2","","","","","","","","5","P -1","-P 1","2","","","","- C15 H11 F2 I N5 -","- C15 H11 F2 I N5 -","- C30 H22 F4 I2 N10 -","2","1","","Gunawardana, C. A.; Desper, J.; Sinha, A. S.; Ðaković, M.; Aakeröy, C. B.","Competition and selectivity in supramolecular synthesis: structural landscape around 1-(pyridylmethyl)-2,2′-biimidazoles","Faraday Discuss.","2017","","","","","10.1039/C7FD00080D","","","0.71073","MoKα","","0.0276","0.0236","","","0.0617","0.0768","","","","","","1.218","","","","has coordinates","198878","2020-10-21","18:00:00",""
"1546571","5.1948","0.0002","10.8967","0.0003","18.2317","0.0006","105.579","0.001","95.607","0.001","100.104","0.001","967.21","0.06","296","2","296","2","","","","","","","","4","P -1","-P 1","2","","","","- C20 H25 N5 O4 -","- C20 H25 N5 O4 -","- C40 H50 N10 O8 -","2","1","","Gunawardana, C. A.; Desper, J.; Sinha, A. S.; Ðaković, M.; Aakeröy, C. B.","Competition and selectivity in supramolecular synthesis: structural landscape around 1-(pyridylmethyl)-2,2′-biimidazoles","Faraday Discuss.","2017","","","","","10.1039/C7FD00080D","","","1.54178","CuKα","","0.0474","0.0471","","","0.1147","0.115","","","","","","1.094","","","","has coordinates","198878","2020-10-21","18:00:00",""
"1546572","16.0707","0.0015","9.0666","0.0008","14.861","0.0014","90","","107.218","0.003","90","","2068.3","0.3","120","2","120","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","CG-P2-A2-D10 N-(3-pyridylmethyl)-2,2-biimidazole, 1,3,5-F3-2,4,6-I3-benzene","","- C18 H11 F3 I3 N5 -","- C18 H11 F3 I3 N5 -","- C72 H44 F12 I12 N20 -","4","1","","Gunawardana, C. A.; Desper, J.; Sinha, A. S.; Ðaković, M.; Aakeröy, C. B.","Competition and selectivity in supramolecular synthesis: structural landscape around 1-(pyridylmethyl)-2,2′-biimidazoles","Faraday Discuss.","2017","","","","","10.1039/C7FD00080D","","","0.71073","MoKα","","0.0263","0.022","","","0.0476","0.0496","","","","","","1.03","","","","has coordinates","198878","2020-10-21","18:00:00",""
"1546573","7.028","0.002","9.024","0.003","13.602","0.004","90.229","0.019","91.564","0.017","93.223","0.016","860.9","0.5","130","2","130","2","","","","","","","","4","P -1","-P 1","2","","","","- C19 H17 N5 O2 -","- C19 H17 N5 O2 -","- C38 H34 N10 O4 -","2","1","","Gunawardana, C. A.; Desper, J.; Sinha, A. S.; Ðaković, M.; Aakeröy, C. B.","Competition and selectivity in supramolecular synthesis: structural landscape around 1-(pyridylmethyl)-2,2′-biimidazoles","Faraday Discuss.","2017","","","","","10.1039/C7FD00080D","","","0.71073","MoKα","","0.0438","0.036","","","0.0923","0.098","","","","","","1.048","","","","has coordinates","198878","2020-10-21","18:00:00",""
"1546574","7.49","0.003","9.841","0.004","15.253","0.005","90","","99.072","0.017","90","","1110.2","0.7","130","2","130","2","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","","","- C12 H11 N5 -","- C12 H11 N5 -","- C48 H44 N20 -","4","1","","Gunawardana, C. A.; Desper, J.; Sinha, A. S.; Ðaković, M.; Aakeröy, C. B.","Competition and selectivity in supramolecular synthesis: structural landscape around 1-(pyridylmethyl)-2,2′-biimidazoles","Faraday Discuss.","2017","","","","","10.1039/C7FD00080D","","","0.71073","MoKα","","0.0512","0.0393","","","0.0852","0.0919","","","","","","1.082","","","","has coordinates","198878","2020-10-21","18:00:00",""
"1546575","5.2936","0.0003","7.9437","0.0005","22.8847","0.0013","81.583","0.005","85.5","0.006","70.615","0.005","897.53","0.1","296","2","296","2","","","","","","","","4","P -1","-P 1","2","","","","- C18 H22 N5 O2 -","- C18 H22 N5 O2 -","- C36 H44 N10 O4 -","2","1","","Gunawardana, C. A.; Desper, J.; Sinha, A. S.; Ðaković, M.; Aakeröy, C. B.","Competition and selectivity in supramolecular synthesis: structural landscape around 1-(pyridylmethyl)-2,2′-biimidazoles","Faraday Discuss.","2017","","","","","10.1039/C7FD00080D","","","0.71073","MoKα","","0.0973","0.0654","","","0.1401","0.1569","","","","","","1.095","","","","has coordinates","198878","2020-10-21","18:00:00",""
"1546576","8.0078","0.0017","10.167","0.002","18.969","0.004","79.276","0.006","82.529","0.005","70.64","0.005","1427.7","0.5","120","2","120","2","","","","","","","","4","P -1","-P 1","2","","CG-P2-A2-HBD2 [N-(3-pyridylmethyl)-2,2-biimidazole]2, HOOC-(CH2)4-COOH","","- C30 H32 N10 O4 -","- C30 H32 N10 O4 -","- C60 H64 N20 O8 -","2","1","","Gunawardana, C. A.; Desper, J.; Sinha, A. S.; Ðaković, M.; Aakeröy, C. B.","Competition and selectivity in supramolecular synthesis: structural landscape around 1-(pyridylmethyl)-2,2′-biimidazoles","Faraday Discuss.","2017","","","","","10.1039/C7FD00080D","","","0.71073","MoKα","","0.0524","0.0444","","","0.1298","0.1399","","","","","","1.083","","","","has coordinates","198878","2020-10-21","18:00:00",""
"1546577","5.4649","0.0017","11.66","0.004","12.493","0.004","84.163","0.017","80.913","0.013","76.728","0.013","763.3","0.4","130","2","130","2","","","","","","","","5","P -1","-P 1","2","","","","- C15 H11 F2 I N5 -","- C15 H11 F2 I N5 -","- C30 H22 F4 I2 N10 -","2","1","","Gunawardana, C. A.; Desper, J.; Sinha, A. S.; Ðaković, M.; Aakeröy, C. B.","Competition and selectivity in supramolecular synthesis: structural landscape around 1-(pyridylmethyl)-2,2′-biimidazoles","Faraday Discuss.","2017","","","","","10.1039/C7FD00080D","","","0.71073","MoKα","","0.0199","0.0189","","","0.0502","0.0508","","","","","","1.138","","","","has coordinates","198878","2020-10-21","18:00:00",""
"1546578","5.7402","0.001","9.3514","0.0016","14.973","0.003","97.467","0.005","91.771","0.006","97.861","0.005","788.5","0.2","120","2","120","2","","","","","","","","4","P -1","-P 1","2","","CG-P2-A2-HBD2 [N-(3-pyridylmethyl)-2,2-biimidazole]2, HOOC-(CH2)8-COOH","","- C34 H40 N10 O4 -","- C34 H40 N10 O4 -","- C34 H40 N10 O4 -","1","0.5","","Gunawardana, C. A.; Desper, J.; Sinha, A. S.; Ðaković, M.; Aakeröy, C. B.","Competition and selectivity in supramolecular synthesis: structural landscape around 1-(pyridylmethyl)-2,2′-biimidazoles","Faraday Discuss.","2017","","","","","10.1039/C7FD00080D","","","0.71073","MoKα","","0.0648","0.0484","","","0.1324","0.1436","","","","","","1.115","","","","has coordinates","198878","2020-10-21","18:00:00",""
"1546579","13.4945","0.0009","14.8017","0.001","19.3714","0.0013","111.285","0.002","92.518","0.002","112.668","0.002","3249.9","0.4","120","2","120","2","","","","","","","","6","P -1","-P 1","2","","CG-P2-A3-D9 [N-(4-pyridylmethyl)-2,2-biimidazole]2, 1,4-diiodotetrafluorobenzene","","- C31 H26 F4 I2 N10 O -","- C31 H26 F4 I2 N10 O -","- C124 H104 F16 I8 N40 O4 -","4","2","","Gunawardana, C. A.; Desper, J.; Sinha, A. S.; Ðaković, M.; Aakeröy, C. B.","Competition and selectivity in supramolecular synthesis: structural landscape around 1-(pyridylmethyl)-2,2′-biimidazoles","Faraday Discuss.","2017","","","","","10.1039/C7FD00080D","","","0.71073","MoKα","","0.0357","0.0275","","","0.0615","0.0654","","","","","","1.039","","","","has coordinates","198878","2020-10-21","18:00:00",""
"1546580","4.8081","0.0007","11.021","0.0017","14.819","0.002","97.881","0.006","91.543","0.006","90.181","0.006","777.5","0.2","120","2","120","2","","","","","","","","4","P -1","-P 1","2","","CG-P2-A3-HBD1 N-(4-pyridylmethyl)-2,2-biimidazole, HOOC-(CH2)2-COOH","","- C16 H17 N5 O4 -","- C16 H17 N5 O4 -","- C32 H34 N10 O8 -","2","1","","Gunawardana, C. A.; Desper, J.; Sinha, A. S.; Ðaković, M.; Aakeröy, C. B.","Competition and selectivity in supramolecular synthesis: structural landscape around 1-(pyridylmethyl)-2,2′-biimidazoles","Faraday Discuss.","2017","","","","","10.1039/C7FD00080D","","","0.71073","MoKα","","0.0714","0.0519","","","0.1419","0.1585","","","","","","1.066","","","","has coordinates","198878","2020-10-21","18:00:00",""
"1546581","10.256","0.008","10.256","0.008","13.16","0.01","90","","90","","90","","1384.2","1.9","113","2","113","2","","","","","","","","5","I -4","I -4","82","","","","- C28 H16 N10 Ni S4 -","- C28 H16 N10 Ni S4 -","- C56 H32 N20 Ni2 S8 -","2","0.25","","Xue, Dan; Luo, Su-Ping; Zhan, Shu-Zhong","A coordinatively saturated nickel complex supported by triazenido ligands: a new electrocatalyst for hydrogen generation via ligand-centered proton-transfer","New Journal of Chemistry","2017","41","16","8503","8508","10.1039/C7NJ01705G","","","0.71073","MoKα","","0.0713","0.0678","","","0.1619","0.1654","","","","","","1.031","","","","has coordinates","282777","2023-04-20","11:56:47",""
"1546583","11.1958","0.0007","21.7534","0.0014","14.9104","0.0008","90","","95.643","0.002","90","","3613.8","0.4","100","2","100","2","","","","","","","","8","P 1 21/n 1","-P 2yn","14","","","","- C30 H36.5 Cl3 N O8 P Pd S -","- C30 H36.5 Cl3 N O8 P Pd S -","- C120 H146 Cl12 N4 O32 P4 Pd4 S4 -","4","1","","Gaikwad, Shahaji R.; Deshmukh, Satej S.; Koshti, Vijay S.; Poddar, Suparna; Gonnade, Rajesh G.; Rajamohanan, Pattuparambil R.; Chikkali, Samir H.","Reactivity of Difunctional Polar Monomers and Ethylene Copolymerization: A Comprehensive Account","Macromolecules","2017","50","15","5748","","10.1021/acs.macromol.7b01356","","","0.71073","MoKα","","0.0939","0.0843","","","0.2271","0.2342","","","","","","1.114","","","","has coordinates","200721","2020-10-21","18:00:00",""
"1546584","19.1131","0.0019","19.1131","0.0019","14.8158","0.0016","90","","90","","90","","5412.4","1","183","2","183.15","","","","","","","","","6","I -4 2 m","I -4 2","121","","","","- C29 H26 Au Cl N2 O2 -","- C29 H26 Au Cl N2 O2 -","- C232 H208 Au8 Cl8 N16 O16 -","8","0.5","","McCall, Rebecca; Miles, Meredith; Lascuna, Paul; Burney, Briana; Patel, Zarana; Sidoran, Kevin; Sittaramane, Vinoth; Kocerha, Jannet; Grossie, David; Sessler, Jonathan L.; Arumugam, Kuppuswamy; Arambula, Jonathan","Dual Targeting of the Cancer Antioxidant Network with Naphthoquinone Fused Gold(I) N-heterocyclic Carbene Complexes","Chem. Sci.","2017","","","","","10.1039/C7SC02153D","","","0.71073","MoKα","","0.0319","0.0292","","","0.0618","0.0658","","","","","","1.072","","","","has coordinates","198905","2020-10-21","18:00:00",""
"1546585","22.04","0.003","16.674","0.002","14.2441","0.0017","90","","90","","90","","5234.6","1.1","150","2","150.15","","","","","","","","","7","P n a 21","P 2c -2n","33","[Bis(NQMes)Au][AgCl2]","","","- C58 H52 Ag Au Cl2 N4 O4 -","- C58 H52 Ag Au Cl2 N4 O4 -","- C232 H208 Ag4 Au4 Cl8 N16 O16 -","4","1","","McCall, Rebecca; Miles, Meredith; Lascuna, Paul; Burney, Briana; Patel, Zarana; Sidoran, Kevin; Sittaramane, Vinoth; Kocerha, Jannet; Grossie, David; Sessler, Jonathan L.; Arumugam, Kuppuswamy; Arambula, Jonathan","Dual Targeting of the Cancer Antioxidant Network with Naphthoquinone Fused Gold(I) N-heterocyclic Carbene Complexes","Chem. Sci.","2017","","","","","10.1039/C7SC02153D","","","0.71073","MoKα","","0.0297","0.0238","","","0.0645","0.0672","","","","","","1.037","","","","has coordinates","198905","2020-10-21","18:00:00",""
"1546586","8.473","0.005","5.922","0.005","15.324","0.005","90","0.005","91.525","0.005","90","0.005","768.6","0.8","293","2","293","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C20 H16 N4 O2 -","- C20 H16 N2 O2 -","- C40 H32 N4 O4 -","2","0.5","","Kuwar, Anil; Torawane, Pritam D.; Keshav, Karunesh; Kumawat, Mukesh Kumar; Srivastava, Rohit; thangaraj, anand; Sahoo, Suban K.; Borse, Amulrao Uttamrao","A novel terephthalaldehyde based turn-on fluorescent chemosensor for Cu2+ and its application in living cells imaging","Photochem. Photobiol. Sci.","2017","","","","","10.1039/C7PP00182G","","","1.54184","CuKα","","0.0861","0.0619","","","0.157","0.2223","","","","","","1.256","","","","has coordinates","198912","2020-10-21","18:00:00",""
"1546587","14.6454","0.0008","12.0415","0.0005","15.1149","0.0009","90","","115.621","0.007","90","","2403.5","0.3","293","2","293","2","","","","","","","","5","I 1 2/a 1","-I 2ya","15","","6-Chloro-1,4-diethylquinoxaline-2,3(1<i>H</i>,4<i>H</i>)-dione","","- C12 H13 Cl N2 O2 -","- C12 H13 Cl N2 O2 -","- C96 H104 Cl8 N16 O16 -","8","1","HB4159","El Janati, Ali; Kandri Rodi, Youssef; Jasinski, Jerry P.; Kaur, Manpreet; Ouzidan, Younes; Essassi, El Mokhtar","6-Chloro-1,4-diethylquinoxaline-2,3(1<i>H</i>,4<i>H</i>)-dione","IUCrData","2017","2","7","x171052","","10.1107/S2414314617010525","","","1.54184","CuKα","","0.052","0.0447","","","0.1191","0.1283","","","","","","1.034","","","","has coordinates,has Fobs","198921","2020-10-21","18:00:00",""
"1546588","4.5801","0.0009","10.87","0.002","10.971","0.002","101.043","0.003","98.854","0.003","99.868","0.003","518.21","0.17","100","2","100","2","","","","","","","","4","P -1","-P 1","2","","(4<i>Z</i>)-4-(2-Oxopropylidene)-2,3,4,5-tetrahydro-1<i>H</i>-1,5-benzodiazepin-2-one","","- C12 H12 N2 O2 -","- C12 H12 N2 O2 -","- C24 H24 N4 O4 -","2","1","SJ4127","Sebhaoui, Jihad; El Bakri, Youness; Essassi, El Mokhtar; Mague, Joel T.","(4<i>Z</i>)-4-(2-Oxopropylidene)-2,3,4,5-tetrahydro-1<i>H</i>-1,5-benzodiazepin-2-one","IUCrData","2017","2","7","x171057","","10.1107/S2414314617010574","","","0.71073","MoKα","","0.1079","0.0902","","","0.2708","0.2811","","","","","","1.028","","","","has coordinates,has Fobs","198922","2020-10-21","18:00:00",""
"1546589","16.376","0.002","9.9864","0.0014","36.605","0.005","90","","99.419","0.004","90","","5905.6","1.4","150","","150","","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","Bis{2-[({[3-(dimethylazaniumyl)propyl]imino}methyl)phenyl]sulfanido}nickel(II) tetraphenylborate","","- C72 H76 B2 N4 Ni S2 -","- C72 H76 B2 N4 Ni S2 -","- C288 H304 B8 N16 Ni4 S8 -","4","0.5","BV4008","Meloccaro, Alexandra; Zimmerman, Joshua R.; Eichhorn, David M.","Bis{2-[({[3-(dimethylazaniumyl)propyl]imino}methyl)phenyl]sulfanido}nickel(II) tetraphenylborate","IUCrData","2017","2","7","x171067","","10.1107/S2414314617010677","","","0.71073","MoKα","","0.0932","0.0542","","","0.0983","0.1091","","","","","","1.046","","","","has coordinates,has Fobs","198923","2020-10-21","18:00:00",""
"1546590","9.308","0.0002","30.611","0.0008","8.38","0.0002","90","","96.194","0.002","90","","2373.75","0.1","100","2","100","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","Bruceollina H","6-hydroxy-3,3-dimethylcyclopenta[b]indole-1,2(3H,4H)-dione","","- C13 H13 N O4 -","- C13 H13 N O4 -","- C104 H104 N8 O32 -","8","2","","Scarpi, Dina; Faggi, Cristina; Occhiato, Ernesto G.","Total Synthesis of Bruceolline I.","Journal of natural products","2017","80","8","2384","2388","10.1021/acs.jnatprod.7b00311","","x-ray","1.54178","CuKα","","0.072","0.0512","","","0.1221","0.1406","","","","","","1.056","","","","has coordinates","214153","2020-10-21","18:00:00",""
"1546591","17.429","0.011","12.471","0.008","13.016","0.008","90","","90","","90","","2829","3","299","2","299","2","","","","","","","","4","P n a 21","P 2c -2n","33","","","","- C29 H35 N3 O6 -","- C29 H35 N3 O6 -","- C116 H140 N12 O24 -","4","1","","Singh, Ravi P.; Das, Jayanta; Yousufuddin, Muhammed; Gout, Delphine; Lovely, Carl J.","Tandem Oxidative Dearomatizing Spirocyclizations of Propargyl Guanidines and Ureas.","Organic letters","2017","19","15","4110","4113","10.1021/acs.orglett.7b01898","","","0.71073","MoKα","","0.0914","0.0525","","","0.1326","0.1683","","","","","","1.023","","","","has coordinates","200761","2020-10-21","18:00:00",""
"1546592","19.9133","0.0015","19.9133","0.0015","11.122","0.0009","90","","90","","90","","4410.3","0.6","293","","293","","","","","","","","","4","P 42/n :2","-P 4bc","86","","","","- C24 H27 N3 O4 -","- C24 H27 N3 O4 -","- C192 H216 N24 O32 -","8","1","","Singh, Ravi P.; Das, Jayanta; Yousufuddin, Muhammed; Gout, Delphine; Lovely, Carl J.","Tandem Oxidative Dearomatizing Spirocyclizations of Propargyl Guanidines and Ureas.","Organic letters","2017","19","15","4110","4113","10.1021/acs.orglett.7b01898","","x-ray","0.71073","MoKα","","0.0424","0.0424","","","0.05","0.05","","","","1.03","1.03","1.03","","","","has coordinates","200761","2020-10-21","18:00:00",""
"1546593","12.906","0.008","7.767","0.004","12.122","0.007","90","","117.06","0.02","90","","1082.1","1.1","150","","150","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C10 H12 N4 O4 -","- C10 H12 N4 O4 -","- C40 H48 N16 O16 -","4","1","","Zhao, Yi; Mandadapu, Vijaybabu; Iranmanesh, Hasti; Beves, Jonathon E.; Day, Anthony I.","The Inheritance Angle: A Determinant for the Number of Members in the Substituted Cucurbit[n]uril Family.","Organic letters","2017","","","","","10.1021/acs.orglett.7b01786","","","0.71073","MoKα","","0.0413","0.0375","","","0.0997","0.1025","","","","","","1.055","","","","has coordinates","198929","2020-10-21","18:00:00",""
"1546594","8.6843","0.0001","14.2721","0.0002","17.1469","0.0003","90","","90","","90","","2125.24","0.05","100","2","100","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C25 H24 N2 O2 S -","- C25 H24 N2 O2 S -","- C100 H96 N8 O8 S4 -","4","1","","Wang, Ya-Ni; Wang, Bao-Cheng; Zhang, Mao-Mao; Gao, Xiao-Wen; Li, Tian-Ren; Lu, Liang-Qiu; Xiao, Wen-Jing","Hydrogen Bond Direction Enables Palladium-Catalyzed Branch- and Enantioselective Allylic Aminations and Beyond.","Organic letters","2017","19","15","4094","4097","10.1021/acs.orglett.7b01794","","","1.54178","CuKα","","0.0309","0.0308","","","0.0781","0.0782","","","","","","1.084","","","","has coordinates","200762","2020-10-21","18:00:00",""
"1546595","5.8336","0.0004","8.0111","0.0006","25.951","0.0017","90","","90","","90","","1212.78","0.15","293","2","293","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C12 H16 O4 -","- C12 H16 O4 -","- C48 H64 O16 -","4","1","","Fang, Lizhen; Liu, Saisai; Han, Lili; Li, Huanhuan; Zhao, Fangfei","Ruthenium-Catalyzed Synthesis of <i>cis</i> -2,3-Dihydrobenzofuran-3-ols by Aqueous Transfer Hydrogenation via Dynamic Kinetic Resolution","Organometallics","2017","36","7","1217","1219","10.1021/acs.organomet.7b00022","","x-ray","1.54184","CuKα","","0.0362","0.034","","","0.0884","0.091","","","","","","1.051","","","","has coordinates","282777","2023-04-20","11:56:47",""
"1546596","8.516","0.0004","11.6325","0.0005","12.4299","0.0005","86.573","0.002","72.136","0.002","83.904","0.002","1164.86","0.09","100","2","100","2","","","","","","","","3","P -1","-P 1","2","","","","- C32 H25 P -","- C32 H25 P -","- C64 H50 P2 -","2","1","","Rawe, Benjamin W.; Brown, Christopher M.; MacKinnon, Marc R.; Patrick, Brian O.; Bodwell, Graham J.; Gates, Derek P.","A C-Pyrenyl Poly(methylenephosphine): Oxidation “Turns On” Blue Photoluminescence in Solution and the Solid State","Organometallics","2017","36","14","2520","","10.1021/acs.organomet.6b00880","","x-ray","0.71073","MoKα","","0.0711","0.0499","","","0.1189","0.1269","","","","","","1.066","","","","has coordinates","201752","2020-10-21","18:00:00",""
"1546597","11.585","0.002","18.121","0.003","14.653","0.003","90","","99.339","0.003","90","","3035.4","1","173.15","","173.15","","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C28 H33 N7 O10 S -","- C28 H33 N7 O10 S -","- C112 H132 N28 O40 S4 -","4","1","","Xu, Rui-Bin; Wang, Qi-Qiang; Ao, Yu-Fei; Li, Zhi-Yan; Huang, Zhi-Tang; Wang, De-Xian","Anionic Head Containing Oxacalix[2]arene[2]triazines: Synthesis and Anion-π-Directed Self-Assembly in Solution and Solid State.","Organic letters","2017","19","3","738","741","10.1021/acs.orglett.7b00070","","","0.71073","MoKα","","0.0712","0.0678","","","0.1943","0.1972","","","","","","1.093","","","","has coordinates","199596","2020-10-21","18:00:00",""
"1546598","10.9681","0.0006","12.3253","0.0005","12.9362","0.0005","90","","90","","90","","1748.78","0.14","293","2","293.15","","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C20 H20 N2 O2 S -","- C20 H20 N2 O2 S -","- C80 H80 N8 O8 S4 -","4","1","","Lang, Bo; Zhu, Huangtianzhi; Wang, Chen; Lu, Ping; Wang, Yanguang","Rhodium-Catalyzed Cycloadditions between 3-Diazoindolin-2-imines and 1,3-Dienes.","Organic letters","2017","","","","","10.1021/acs.orglett.7b00438","","","0.71073","MoKα","","0.0378","0.0306","","","0.07","0.0743","","","","","","1.056","","","","has coordinates","198987","2020-10-21","18:00:00",""
"1546599","14.3337","0.0006","6.8499","0.0004","18.7839","0.0008","90","","95.751","0.004","90","","1835","0.15","174.7","","174.7","","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C21 H22 N2 O2 S -","- C21 H22 N2 O2 S -","- C84 H88 N8 O8 S4 -","4","1","","Lang, Bo; Zhu, Huangtianzhi; Wang, Chen; Lu, Ping; Wang, Yanguang","Rhodium-Catalyzed Cycloadditions between 3-Diazoindolin-2-imines and 1,3-Dienes.","Organic letters","2017","","","","","10.1021/acs.orglett.7b00438","","","0.71073","MoKα","","0.0506","0.0388","","","0.0953","0.1036","","","","","","1.048","","","","has coordinates","198988","2020-10-21","18:00:00",""
"1546600","8.4373","0.0003","6.1045","0.0002","22.251","0.0008","90","","92.183","0.002","90","","1145.22","0.07","173","2","173","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C23 H27 N3 O4 S2 -","- C23 H27 N3 O4 S2 -","- C46 H54 N6 O8 S4 -","2","1","","Fu, Liangbing; Davies, Huw M. L.","Scope of the Reactions of Indolyl- and Pyrrolyl-Tethered N-Sulfonyl-1,2,3-triazoles: Rhodium(II)-Catalyzed Synthesis of Indole- and Pyrrole-Fused Polycyclic Compounds.","Organic letters","2017","","","","","10.1021/acs.orglett.7b00180","","","1.54178","CuKα","","0.0385","0.0378","","","0.0987","0.0994","","","","","","1.02","","","","has coordinates,has disorder","198990","2020-10-21","18:00:00",""
"1546601","12.864","0.0019","14.501","0.002","16.567","0.003","90","","90","","90","","3090.4","0.8","100","2","100","2","","","","","","","","3","P b c a","-P 2ac 2ab","61","","","","- C19 H20 O4 -","- C19 H20 O4 -","- C152 H160 O32 -","8","1","","Chan, Chieh-Kai; Tsai, Yu-Lin; Chang, Meng-Yang","CuI Mediated One-Pot Cycloacetalization/Ketalization of o-Carbonyl Allylbenzenes: Synthesis of Benzobicyclo[3.2.1]octane Core.","Organic letters","2017","19","7","1870","1873","10.1021/acs.orglett.7b00630","","","0.71073","MoKα","","0.0477","0.0345","","","0.0786","0.085","","","","","","1.043","","","","has coordinates","199593","2020-10-21","18:00:00",""
"1546602","24.743","0.009","9.58","0.004","7.166","0.003","90","","100.81","0.008","90","","1668.5","1.2","296","2","296","2","","","","","","","","3","C 1 c 1","C -2yc","9","","","","- C19 H20 O5 -","- C19 H20 O5 -","- C76 H80 O20 -","4","1","","Chan, Chieh-Kai; Tsai, Yu-Lin; Chang, Meng-Yang","CuI Mediated One-Pot Cycloacetalization/Ketalization of o-Carbonyl Allylbenzenes: Synthesis of Benzobicyclo[3.2.1]octane Core.","Organic letters","2017","19","7","1870","1873","10.1021/acs.orglett.7b00630","","","0.71073","MoKα","","0.0951","0.0558","","","0.116","0.1529","","","","","","1.103","","","","has coordinates","199593","2020-10-21","18:00:00",""
"1546603","27.0189","0.0006","14.0226","0.0004","7.2637","0.0002","90","","90","","90","","2752.04","0.13","175","0.14","175","0.14","","","","","","","","5","P c c a","-P 2a 2ac","54","","","","- C30 H22 Br2 O6 P2 -","- C30 H22 Br2 O6 P2 -","- C120 H88 Br8 O24 P8 -","4","0.5","","Essid, I.; Laborde, C.; Legros, F.; Sevrain, N.; Touil, S.; Rolland, M.; Ayad, T.; Volle, J.-N.; Pirat, J.-L.; Virieux, D.","Phosphorus-Containing Bis-allenes: Synthesis and Heterocyclization Reactions Mediated by Iodine or Copper Dibromide.","Organic letters","2017","","","","","10.1021/acs.orglett.7b00648","","x-ray","1.54184","CuKα","","0.074","0.0558","","","0.1473","0.168","","","","","","1.015","","","","has coordinates","198993","2020-10-21","18:00:00",""
"1546604","10.0327","0.0002","8.5099","0.0002","13.3176","0.0003","90","","98.664","0.001","90","","1124.05","0.04","205","","205","","","","","","","","","3","P 1 21 1","P 2yb","4","","","","- C25 H40 O2 -","- C25 H40 O2 -","- C50 H80 O4 -","2","1","","Shao, Jie; Chen, Qing-Wen; Lv, Hua-Jun; He, Juan; Liu, Zhi-Feng; Lu, Yan-Na; Liu, Hai-Li; Wang, Guo-Dong; Wang, Yong","(+)-Thalianatriene and (-)-Retigeranin B Catalyzed by Sesterterpene Synthases from Arabidopsis thaliana.","Organic letters","2017","","","","","10.1021/acs.orglett.7b00586","","","1.54178","CuKα","","0.031","0.0302","","","0.0809","0.0816","","","","","","1.029","","","","has coordinates","198994","2020-10-21","18:00:00",""
"1546605","8.6658","0.0004","9.3186","0.0006","10.85","0.0006","86.299","0.006","89.117","0.006","72.381","0.005","833.32","0.08","93","2","93","2","","","","","","","","6","P -1","-P 1","2","","","","- C18 H8 F7 N O3 S -","- C18 H8 F7 N O3 S -","- C36 H16 F14 N2 O6 S2 -","2","1","","Asanuma, Yuki; Eguchi, Hiroshi; Nishiyama, Hiroki; Tomita, Ikuyoshi; Inagi, Shinsuke","Synthesis of Ring-Fused Pyridinium Salts by Intramolecular Nucleophilic Aromatic Substitution Reaction and Their Optoelectronic Properties.","Organic letters","2017","","","","","10.1021/acs.orglett.7b00590","","","0.71075","MoKα","","0.0541","0.0414","","","0.0923","0.0979","","","","","","1.064","","","","has coordinates","198995","2020-10-21","18:00:00",""
"1546606","8.275","0.001","8.3407","0.0009","11.0735","0.001","69.659","0.005","83.463","0.006","74.09","0.005","689.03","0.13","93","2","93","2","","","","","","","","6","P -1","-P 1","2","","","","- C30 H16 F8 N2 O6 S2 -","- C30 H16 F8 N2 O6 S2 -","- C30 H16 F8 N2 O6 S2 -","1","0.5","","Asanuma, Yuki; Eguchi, Hiroshi; Nishiyama, Hiroki; Tomita, Ikuyoshi; Inagi, Shinsuke","Synthesis of Ring-Fused Pyridinium Salts by Intramolecular Nucleophilic Aromatic Substitution Reaction and Their Optoelectronic Properties.","Organic letters","2017","","","","","10.1021/acs.orglett.7b00590","","","0.71075","MoKα","","0.0556","0.0433","","","0.0981","0.1035","","","","","","1.082","","","","has coordinates","198995","2020-10-21","18:00:00",""
"1546607","7.631","0.0004","8.0161","0.0004","16.2346","0.0009","90","","90","","90","","993.08","0.09","100","","100","","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C10 H9 F3 O3 -","- C10 H9 F3 O3 -","- C40 H36 F12 O12 -","4","1","","Smith, David T.; Vitaku, Edon; Njardarson, Jon T.","Dearomatization Approach to 2-Trifluoromethylated Benzofuran and Dihydrobenzofuran Products.","Organic letters","2017","19","13","3508","3511","10.1021/acs.orglett.7b01479","","","0.71073","MoKα","","0.0292","0.0284","","","0.0724","0.0744","","","","","","1.1017","","","","has coordinates","278046","2022-09-21","15:45:40",""
"1546608","4.9314","0.0006","9.4371","0.0011","13.4664","0.0015","75.537","0.005","83.093","0.005","78.25","0.005","592.53","0.12","100","","100","","","","","","","","","4","P -1","-P 1","2","","","","- C12 H8 F6 O3 -","- C12 H8 F6 O3 -","- C24 H16 F12 O6 -","2","1","","Smith, David T.; Vitaku, Edon; Njardarson, Jon T.","Dearomatization Approach to 2-Trifluoromethylated Benzofuran and Dihydrobenzofuran Products.","Organic letters","2017","19","13","3508","3511","10.1021/acs.orglett.7b01479","","","0.71073","MoKα","","0.0374","0.0316","","","0.0817","0.0852","","","","","","1.057","","","","has coordinates","200742","2020-10-21","18:00:00",""
"1546609","18.38","0.007","28.155","0.011","8.802","0.003","90","","90","","90","","4555","3","293","2","293.15","","","","","","","","","5","P c c n","-P 2ab 2ac","56","","","","- C28 H25 B N3 O -","- C28 H25 B N3 O -","- C224 H200 B8 N24 O8 -","8","1","","Chen, Na; Zhang, Wenjie; Chen, Shun; Wu, Qinghua; Yu, Changjiang; Wei, Yun; Xu, Yuekang; Hao, Erhong; Jiao, Lijuan","Sterically Protected N2O-Type Benzopyrromethene Boron Complexes from Boronic Acids with Intense Red/Near-Infrared Fluorescence.","Organic letters","2017","19","8","2026","2029","10.1021/acs.orglett.7b00601","","x-ray","0.71073","MoKα","","0.0942","0.0598","","","0.1653","0.1818","","","","","","1.087","","","","has coordinates","199589","2020-10-21","18:00:00",""
"1546610","8.0355","0.0018","10.362","0.002","15.234","0.003","90","","90","","90","","1268.4","0.5","296","2","296","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C12 H19 N O S -","- C12 H19 N O S -","- C48 H76 N4 O4 S4 -","4","1","","Yu, Hui; Gao, Bao; Hu, Bin; Huang, Hanmin","Charge-Transfer Complex Promoted C-N Bond Activation for Ni-Catalyzed Carbonylation.","Organic letters","2017","19","13","3520","3523","10.1021/acs.orglett.7b01488","","","0.71073","MoKα","","0.0415","0.0389","","","0.1034","0.1054","","","","","","1.094","","","","has coordinates","200746","2020-10-21","18:00:00",""
"1546611","20.604","0.002","11.3027","0.0011","16.5652","0.0016","90","","127.042","0.005","90","","3079.2","0.6","296","2","296","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C15 Cl2 N3 O -","- C15 Cl2 N3 O -","- C120 Cl16 N24 O8 -","8","1","","Panda, Subhankar; Maity, Pradip; Manna, Debasis","Transition Metal, Azide, and Oxidant-Free Homo- and Heterocoupling of Ambiphilic Tosylhydrazones to the Regioselective Triazoles and Pyrazoles.","Organic letters","2017","","","","","10.1021/acs.orglett.7b00313","","","0.71073","MoKα","","0.0963","0.0689","","","0.1706","0.1836","","","","","","1.073","","","","has coordinates","199000","2020-10-21","18:00:00",""
"1546612","7.2695","0.0002","11.4642","0.0004","17.2756","0.0007","96.328","0.002","101.12","0.002","94.76","0.002","1396.05","0.08","296","2","296","2","","","","","","","","2","P -1","-P 1","2","","","","- C16 N5 -","- C16 N5 -","- C64 N20 -","4","2","","Panda, Subhankar; Maity, Pradip; Manna, Debasis","Transition Metal, Azide, and Oxidant-Free Homo- and Heterocoupling of Ambiphilic Tosylhydrazones to the Regioselective Triazoles and Pyrazoles.","Organic letters","2017","","","","","10.1021/acs.orglett.7b00313","","","0.71073","MoKα","","0.098","0.0804","","","0.1703","0.1778","","","","","","1.013","","","","has coordinates","199000","2020-10-21","18:00:00",""
"1546613","5.7596","0.0003","17.4769","0.0008","16.4078","0.0008","90","","95.079","0.003","90","","1645.12","0.14","296","2","296","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C20 H13 Cl F N3 -","- C20 H13 Cl F N3 -","- C80 H52 Cl4 F4 N12 -","4","1","","Panda, Subhankar; Maity, Pradip; Manna, Debasis","Transition Metal, Azide, and Oxidant-Free Homo- and Heterocoupling of Ambiphilic Tosylhydrazones to the Regioselective Triazoles and Pyrazoles.","Organic letters","2017","","","","","10.1021/acs.orglett.7b00313","","","0.71073","MoKα","","0.1369","0.112","","","0.2195","0.2301","","","","","","1.011","","","","has coordinates","199000","2020-10-21","18:00:00",""
"1546614","6.572","0.005","9.09","0.005","12.884","0.005","77.172","0.005","75.946","0.005","79.191","0.005","720.7","0.7","293","2","293","2","","","","","","","","4","P -1","-P 1","2","","","","- C18 H14 F2 O2 -","- C18 H14 F2 O2 -","- C36 H28 F4 O4 -","2","1","","Chang, Jian; Xu, Cong; Gao, Jie; Gao, Fengyun; Zhu, Dongsheng; Wang, Mang","Me3SiCF2Br-Self-Assisted Domino Reaction: Catalytic Synthesis of α,α-Difluorocyclopentanones from Methylvinylketones.","Organic letters","2017","","","","","10.1021/acs.orglett.7b00611","","","0.71069","MoKα","","0.0846","0.0592","","","0.1626","0.1839","","","","","","1.046","","","","has coordinates","199001","2020-10-21","18:00:00",""
"1546615","6.6836","0.0014","27.722","0.006","27.939","0.006","90","","96.193","0.003","90","","5146.4","1.9","173.15","","173.15","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C42 H18 Br6 N12 O6 -","- C42 H18 Br6 N12 O6 -","- C168 H72 Br24 N48 O24 -","4","1","","Lu, Yao; Fu, Zhan-Da; Guo, Qing-Hui; Wang, Mei-Xiang","O6-Corona[6]arenes with Expanded Cavities for Specific Complexation with C70.","Organic letters","2017","19","7","1590","1593","10.1021/acs.orglett.7b00409","","","0.71073","MoKα","","0.0567","0.0515","","","0.1183","0.1211","","","","","","1.141","","","","has coordinates","199594","2020-10-21","18:00:00",""
"1546616","11.5361","0.0003","7.8544","0.0003","15.7254","0.0005","90","","93.296","0.003","90","","1422.51","0.08","120","0.1","120","0.1","","","","","","","","5","P 1 21/a 1","-P 2yab","14","","","","- C13 H16 Cl N5 O -","- C13 H16 Cl N5 O -","- C52 H64 Cl4 N20 O4 -","4","1","","Patil, Pravin; Madhavachary, Rudrakshula; Kurpiewska, Katarzyna; Kalinowska-Tłuścik, Justyna; Dömling, Alexander","De Novo Assembly of Highly Substituted Morpholines and Piperazines.","Organic letters","2017","19","3","642","645","10.1021/acs.orglett.6b03807","","","1.54184","CuKα","","0.0493","0.0421","","","0.111","0.1185","","","","","","1.038","","","","has coordinates","199597","2020-10-21","18:00:00",""
"1546617","6.36858","0.0001","17.0054","0.0003","17.2914","0.0003","90","","90","","90","","1872.66","0.05","150","2","150","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C19 H20 N2 O4 S -","- C19 H20 N2 O4 S -","- C76 H80 N8 O16 S4 -","4","1","","Rajkumar, Sundaram; Clarkson, Guy J.; Shipman, Michael","Regio- and Stereocontrolled Synthesis of 3-Substituted 1,2-Diazetidines by Asymmetric Allylic Amination of Vinyl Epoxide.","Organic letters","2017","19","8","2058","2061","10.1021/acs.orglett.7b00653","","x-ray","1.54184","CuKα","","0.0351","0.033","","","0.0877","0.0896","","","","","","1.054","","","","has coordinates","199590","2020-10-21","18:00:00",""
"1546618","13.2053","0.0005","5.3447","0.0002","15.9599","0.0007","90","","93.674","0.001","90","","1124.11","0.08","100","2","100","","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C22 H25 N3 O6 S -","- C22 H25 N3 O6 S -","- C44 H50 N6 O12 S2 -","2","1","","Xu, Xue; Wang, Yong; Cui, Xin; Wojtas, Lukasz; Zhang, Peter","Metalloradical Activation of α-Formyldiazoacetates for Catalytic Asymmetric Radical Cyclopropanation of Alkenes","Chem. Sci.","2017","","","","","10.1039/C7SC00658F","","","1.54178","CuKα","","0.0267","0.0258","","","0.0595","0.0604","","","","","","1.07","","","","has coordinates","199006","2020-10-21","18:00:00",""
"1546619","9.8953","0.0004","12.1959","0.0005","12.3731","0.0005","110","0.004","107.743","0.003","96.007","0.003","1299.51","0.11","99.9","0.5","99.9","0.5","","","","","","","","5","P -1","-P 1","2","","","","- C54 H76 Cl4 N4 Ni2 -","- C54 H76 Cl4 N4 Ni2 -","- C54 H76 Cl4 N4 Ni2 -","1","0.5","","Kang, Byungjoon; Hong, Soon Hyeok","Photoredox Mediated Nickel Catalyzed C(sp3)‒H Thiocarbonylation of Ethers","Chem. Sci.","2017","","","","","10.1039/C7SC02516E","","x-ray","1.54184","CuKα","","0.0604","0.0535","","","0.1521","0.1583","","","","","","1.06","","","","has coordinates,has disorder","199007","2020-10-21","18:00:00",""
"1546620","9.5654","0.0007","10.5731","0.0008","13.0829","0.0009","103.702","0.002","107.842","0.002","96.75","0.002","1197.54","0.15","100","","100","","","","","","","","","5","P -1","-P 1","2","","MSU0048","","- C25 H29 N2 O4 S2 -","- C25 H29 N2 O4 S2 -","- C50 H58 N4 O8 S4 -","2","1","","Zhou, Hui; Chaminda Lakmal, Hetti Handi; Baine, Jonathan; Valle, Henry; Xu, Xue; Cui, Xin","Catalytic [2+2+2] Cycloaddition with Indium(III)-Activated Formaldimines: A Practical and Selective Access to Hexahydropyrimidines and 1,3-Diamines from Alkenes","Chem. Sci.","2017","","","","","10.1039/C7SC02576A","","","0.71073","MoKα","","0.0461","0.0346","","","0.0897","0.0936","","","","","","1.068","","","","has coordinates,has disorder","199008","2020-10-21","18:00:00",""
"1546621","43.257","0.003","7.7831","0.0005","14.4728","0.0009","90","","95.035","0.004","90","","4853.8","0.6","100","","100","","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","MSU0049","","- C25 H25 Cl N2 O4 S2 -","- C25 H25 Cl N2 O4 S2 -","- C200 H200 Cl8 N16 O32 S16 -","8","1","","Zhou, Hui; Chaminda Lakmal, Hetti Handi; Baine, Jonathan; Valle, Henry; Xu, Xue; Cui, Xin","Catalytic [2+2+2] Cycloaddition with Indium(III)-Activated Formaldimines: A Practical and Selective Access to Hexahydropyrimidines and 1,3-Diamines from Alkenes","Chem. Sci.","2017","","","","","10.1039/C7SC02576A","","","0.71073","MoKα","","0.0439","0.0376","","","0.0957","0.0995","","","","","","1.052","","","","has coordinates","199008","2020-10-21","18:00:00",""
"1546622","7.2451","0.00014","9.38179","0.00017","10.91846","0.00019","90","","90.4932","0.0016","90","","742.12","0.02","173","2","173","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C16 H13 N3 O5 -","- C16 H13 N3 O5 -","- C32 H26 N6 O10 -","2","1","","Cheng, Li-Jie; Brown, Alexander P., N.; Cordier, Christopher J.","Enantioselective Propargylic [1,3]-Rearrangements: Copper-Catalyzed O-to-N Migrations Toward C‒N Bond Formation","Chem. Sci.","2017","","","","","10.1039/C7SC01042G","","","1.54184","CuKα","","0.0341","0.0293","","","0.0686","0.0727","","","","","","1.093","","","","has coordinates","199009","2020-10-21","18:00:00",""
"1546623","21.9182","0.0009","6.1752","0.0003","14.8927","0.0006","90","","100.846","0.004","90","","1979.71","0.15","135","","135","","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C19 H28 O3 Si -","- C19 H28 O3 Si -","- C76 H112 O12 Si4 -","4","2","","Zhang, Yu; Liao, Yuting; Liu, Xiaohua; Xu, Xi; Lin, Lili; Feng, Xiaoming","Catalytic Asymmetric Hydroxylative Dearomatization of 2-Naphthols: Synthesis of Lacinilene Derivatives","Chem. Sci.","2017","","","","","10.1039/C7SC02809A","","x-ray","1.54184","CuKα","","0.0671","0.0608","","","0.1649","0.1857","","","","","","1.074","","","","has coordinates","214153","2020-10-21","18:00:00",""
"1546624","12.778","0.011","5.158","0.004","14.363","0.012","90","","98.059","0.013","90","","937.3","1.3","93","2","93","2","","","","","","","","2","P 1 21 1","P 2yb","4","","","","- C30 H18 -","- C30 H18 -","- C60 H36 -","2","1","","Fujino, Shota; Yamaji, Minoru; Okamoto, Hideki; Mutai, Toshiki; Yoshikawa, Isao; Houjou, Hirohiko; Tani, Fumito","Systematic investigations on fused π-system compounds of seven benzene rings prepared by photocyclization of diphenanthrylethenes.","Photochemical & photobiological sciences : Official journal of the European Photochemistry Association and the European Society for Photobiology","2017","","","","","10.1039/c7pp00040e","","","0.71075","MoKα","","0.098","0.0703","","","0.1237","0.1354","","","","","","1.011","","","","has coordinates","199038","2020-10-21","18:00:00",""
"1546625","8.001","0.004","11.525","0.006","20.641","0.01","90","","96.436","0.009","90","","1891.3","1.6","93","2","93","2","","","","","","","","2","P 1 21/n 1","-P 2yn","14","","","","- C30 H18 -","- C30 H18 -","- C120 H72 -","4","1","","Fujino, Shota; Yamaji, Minoru; Okamoto, Hideki; Mutai, Toshiki; Yoshikawa, Isao; Houjou, Hirohiko; Tani, Fumito","Systematic investigations on fused π-system compounds of seven benzene rings prepared by photocyclization of diphenanthrylethenes.","Photochemical & photobiological sciences : Official journal of the European Photochemistry Association and the European Society for Photobiology","2017","","","","","10.1039/c7pp00040e","","","0.71075","MoKα","","0.0709","0.0518","","","0.1171","0.1291","","","","","","1.019","","","","has coordinates","199038","2020-10-21","18:00:00",""
"1546626","7.56","0.004","20.153","0.011","23.743","0.012","90","","90","","90","","3617","3","93","2","93","2","","","","","","","","2","P b c a","-P 2ac 2ab","61","","","","- C30 H18 -","- C30 H18 -","- C240 H144 -","8","1","","Fujino, Shota; Yamaji, Minoru; Okamoto, Hideki; Mutai, Toshiki; Yoshikawa, Isao; Houjou, Hirohiko; Tani, Fumito","Systematic investigations on fused π-system compounds of seven benzene rings prepared by photocyclization of diphenanthrylethenes.","Photochemical & photobiological sciences : Official journal of the European Photochemistry Association and the European Society for Photobiology","2017","","","","","10.1039/c7pp00040e","","","0.71075","MoKα","","0.0846","0.0775","","","0.1591","0.1627","","","","","","1.3","","","","has coordinates","199038","2020-10-21","18:00:00",""
"1546627","7.167","0.002","8.726","0.003","13.947","0.004","90","","96.375","0.004","90","","866.8","0.5","293","2","293","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","2,2'-(Diselane-1,2-diyl)bis(<i>N</i>,<i>N</i>-dimethylnicotinamide)","","- C16 H18 N4 O2 Se2 -","- C16 H18 N4 O2 Se2 -","- C32 H36 N8 O4 Se4 -","2","0.5","HB4154","Guo, Zhiqiang; Wang, Yakong; Xu, Ying; Wei, Xuehong","2,2'-(Diselane-1,2-diyl)bis(<i>N</i>,<i>N</i>-dimethylnicotinamide)","IUCrData","2017","2","6","x170882","","10.1107/S2414314617008823","","","0.71073","MoKα","","0.0358","0.0301","","","0.0742","0.0769","","","","","","1.058","","","","has coordinates,has Fobs","199221","2020-10-21","18:00:00",""
"1546628","8.3161","0.0002","9.9302","0.0005","33.0414","0.0011","90","","90","","90","","2728.58","0.18","295","2","295","0.2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","(3β,5α,25<i>R</i>)-12-(Hydroxyimino)spirostan-3-yl acetate","","- C29 H45 N O5 -","- C29 H45 N O5 -","- C116 H180 N4 O20 -","4","1","FF4016","Carrasco-Carballo, Alan; Guerrero-Luna, Gabriel; Hernández Linares, María-Guadalupe; Bernès, Sylvain","(3β,5α,25<i>R</i>)-12-(Hydroxyimino)spirostan-3-yl acetate","IUCrData","2017","2","4","x170491","","10.1107/S2414314617004916","","","0.56083","AgKα","","0.0767","0.0439","","","0.0949","0.1065","","","","","","0.924","","","","has coordinates,has Fobs","199222","2020-10-21","18:00:00",""
"1546629","7.6932","0.0008","10.1152","0.0008","20.9336","0.0017","90","","90","","90","","1629","0.3","296","2","296","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","Cystosinium tartarate monohydrate","","- C12 H18 N6 O9 -","- C12 H18 N6 O9 -","- C48 H72 N24 O36 -","4","1","BX4005","Jaikumar, P.; Sundar, T. V.; Sharmila, N.; Balakrishnan, T.; Ramamurthi, K.","Hydrogen-bonding patterns in bis(cytosinium) tartarate monohydrate","IUCrData","2017","2","3","x170448","","10.1107/S2414314617004485","","","0.71073","MoKα","","0.0452","0.036","","","0.0819","0.0867","","","","","","1.11","","","","has coordinates,has Fobs","199223","2020-10-21","18:00:00",""
"1546630","3.8919","0.0001","20.4831","0.0006","11.258","0.0004","90","","92.757","0.001","90","","896.43","0.05","150","2","150","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","1-(6-Nitro-1<i>H</i>-indazol-1-yl)ethanone","","- C9 H7 N3 O3 -","- C9 H7 N3 O3 -","- C36 H28 N12 O12 -","4","1","LH4020","Mohamed Abdelahi, Mohamed Mokhtar; El Bakri, Youness; El Karkour, Meryeme; Benchidmi, Mohammed; Essassi, El Mokhtar; Mague, Joel T.","1-(6-Nitro-1<i>H</i>-indazol-1-yl)ethanone","IUCrData","2017","2","6","x170831","","10.1107/S2414314617008318","","","1.54178","CuKα","","0.0628","0.0496","","","0.1304","0.1403","","","","","","1.031","","","","has coordinates,has Fobs","199224","2020-10-21","18:00:00",""
"1546631","9.9251","0.0004","12.2293","0.0004","15.1738","0.0005","84.318","0.002","78.538","0.002","89.88","0.002","1795.86","0.11","293","2","293","2","","","","","","","","4","P -1","-P 1","2","","3-Methyl-5,6-diphenyl-1<i>H</i>-pyrazolo[1,2-<i>a</i>]cinnolin-1-one","","- C24 H18 N2 O -","- C24 H18 N2 O -","- C96 H72 N8 O4 -","4","2","SU4146","Mayakrishnan, Sivakalai; Arun, Y.; Maheswari, Narayanan Uma","3-Methyl-5,6-diphenyl-1<i>H</i>-pyrazolo[1,2-<i>a</i>]cinnolin-1-one","IUCrData","2017","2","4","x170534","","10.1107/S241431461700534X","","","0.71073","MoKα","","0.0663","0.0452","","","0.1122","0.1252","","","","","","1.014","","","","has coordinates,has Fobs","199225","2020-10-21","18:00:00",""
"1546632","8.3013","0.0005","13.1934","0.0008","15.3583","0.0009","103.241","0.003","105.47","0.003","93.046","0.003","1566.3","0.17","296","2","296","2","","","","","","","","5","P -1","-P 1","2","","4-Methoxy-<i>N</i>-(1-methyl-1<i>H</i>-indazol-7-yl)benzenesulfonamide hemihydrate","","- C15 H16 N3 O3.5 S -","- C15 H16 N3 O3.5 S -","- C60 H64 N12 O14 S4 -","4","2","TK4031","Bouissane, Latifa; Mojahidi, Souad; Rakib, El Mostapha; Chicha, Hakima; Saadi, Mohamed; El Ammari, Lahcen","4-Methoxy-<i>N</i>-(1-methyl-1<i>H</i>-indazol-7-yl)benzenesulfonamide hemihydrate","IUCrData","2017","2","5","x170645","","10.1107/S2414314617006459","","","0.71073","MoKα","","0.0655","0.0428","","","0.1099","0.1258","","","","","","1.009","","","","has coordinates,has Fobs","214153","2020-10-21","18:00:00",""
"1546633","8.2805","0.0003","8.6053","0.0003","12.2396","0.0004","103.519","0.003","99.935","0.003","105.188","0.003","792.56","0.05","100","","100","0.1","","","","","","","","5","P -1","-P 1","2","","3,5-Bis(trifluoromethyl)phenyl 4-methylbenzenesulfonate","","- C15 H10 F6 O3 S -","- C15 H10 F6 O3 S -","- C30 H20 F12 O6 S2 -","2","1","BT4055","Olszowy, Aleksandra; Siodłak, Dawid; Zarychta, Bartosz","3,5-Bis(trifluoromethyl)phenyl 4-methylbenzenesulfonate","IUCrData","2017","2","7","x170981","","10.1107/S2414314617009816","","","0.71073","MoKα","","0.0361","0.0298","","","0.0781","0.0802","","","","","","1.064","","","","has coordinates,has disorder,has Fobs","199227","2020-10-21","18:00:00",""
"1546634","17.5297","0.0008","12.1853","0.0006","12.0781","0.0004","90","","90","","90","","2579.94","0.19","296","2","296","2","","","","","","","","4","P c a 21","P 2c -2ac","29","","3-Benzylidene-1'-methyl-4'-phenyldispiro[cyclopentane-1,3'-pyrrolidine-2',1''-acenaphthene]-2,2''-dione","","- C33 H27 N O2 -","- C33 H27 N O2 -","- C132 H108 N4 O8 -","4","1","HB4132","Varadharajan, E.; Ramkumar, V.; Scholastica, M. V. B.; Augustine, Arul Prasad T.","3-Benzylidene-1'-methyl-4'-phenyldispiro[cyclopentane-1,3'-pyrrolidine-2',1''-acenaphthene]-2,2''-dione","IUCrData","2017","2","4","x170581","","10.1107/S2414314617005818","","","0.71073","MoKα","","0.0437","0.034","","","0.0782","0.0843","","","","","","1.039","","","","has coordinates,has Fobs","199228","2020-10-21","18:00:00",""
"1546635","4.3949","0.0004","9.9144","0.0008","13.1376","0.0011","98.481","0.001","90.755","0.001","97.377","0.001","561.19","0.08","298","2","298","2","","","","","","","","5","P -1","-P 1","2","","1-Chloro-3-(6-nitro-1<i>H</i>-indazol-1-yl)propan-2-ol","","- C10 H10 Cl N3 O3 -","- C10 H10 Cl N3 O3 -","- C20 H20 Cl2 N6 O6 -","2","1","SJ4104","Mohamed Abdelahi, Mohamed Mokhtar; El Bakri, Youness; Benchidmi, Mohammed; Essassi, El Mokhtar; Mague, Joel T.","1-Chloro-3-(6-nitro-1<i>H</i>-indazol-1-yl)propan-2-ol","IUCrData","2017","2","5","x170637","","10.1107/S241431461700637X","","","0.71073","MoKα","","0.0652","0.0467","","","0.144","0.1512","","","","","","1.061","","","","has coordinates,has Fobs","199229","2020-10-21","18:00:00",""
"1546636","9.0503","0.0007","5.9762","0.0005","16.3508","0.0012","90","","102.732","0.001","90","","862.61","0.12","103","","103","","","","","","","","","4","P 1 21 1","P 2yb","4","","6-[(<i>R</i>)-(2-Hydroxy-1-phenylethyl)aminomethylidene]-4-(2-phenyldiazen-1-yl)cyclohexa-2,4-dien-1-one","","- C21 H19 N3 O2 -","- C21 H19 N3 O2 -","- C42 H38 N6 O4 -","2","1","ZQ4021","Moriwaki, Ryoji; Yagi, Shiomi; Haraguchi, Tomoyuki; Akitsu, Takashiro","6-[(<i>R</i>)-(2-Hydroxy-1-phenylethyl)aminomethylidene]-4-(2-phenyldiazen-1-yl)cyclohexa-2,4-dien-1-one","IUCrData","2017","2","7","x170979","","10.1107/S2414314617009798","","","0.71073","MoKα","","0.0321","0.0307","","","0.0726","0.0735","","","","","","1.035","","","","has coordinates,has Fobs","199230","2020-10-21","18:00:00",""
"1546637","8.7453","0.0013","8.6888","0.001","9.2511","0.0011","90","","95.936","0.008","90","","699.19","0.16","92","2","92","2","","","","","","","","3","P 1 21 1","P 2yb","4","","Methyl 3-(2,5-dimethoxy-3,4,6-trimethylphenyl)propanoate","","- C15 H22 O4 -","- C15 H22 O4 -","- C30 H44 O8 -","2","1","LH4018","Goswami, Shailesh K.; Hanton, Lyall R.; McAdam, C. John; Moratti, Stephen C.; Simpson, Jim","Methyl 3-(2,5-dimethoxy-3,4,6-trimethylphenyl)propanoate","IUCrData","2017","2","4","x170500","","10.1107/S2414314617005004","","","0.71073","MoKα","","0.0503","0.0449","","","0.0948","0.0981","","","","","","1.088","","","","has coordinates,has Fobs","199231","2020-10-21","18:00:00",""
"1546638","9.7437","0.0003","12.2437","0.0003","26.8215","0.001","90","","90","","90","","3199.78","0.17","296","2","296","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","(3<i>R</i>,5<i>S</i>,7<i>R</i>,8<i>R</i>,9<i>S</i>,10<i>S</i>,12<i>S</i>,13<i>R</i>,14<i>S</i>)-10,13-Dimethyl-17-[5-oxo-5-(prop-2-yn-1-yloxy)pentan-2-yl]hexadecahydro-1<i>H</i>-cyclopenta[<i>a]</i>phenanthrene-3,7,12-triyl triacetate","","- C33 H48 O8 -","- C33 H48 O8 -","- C132 H192 O32 -","4","1","","Kavitha, T.; Anandkumar, Devaraj; Rajakumar, Perumal; Bargavi, Srinivasan; Lakshmi, Srinivasakannan","(3<i>R</i>,5<i>S</i>,7<i>R</i>,8<i>R</i>,9<i>S</i>,10<i>S</i>,12<i>S</i>,13<i>R</i>,14<i>S</i>)-10,13-Dimethyl-17-[5-oxo-5-(prop-2-yn-1-yloxy)pentan-2-yl]hexadecahydro-1<i>H</i>-cyclopenta[<i>a</i>]phenanthrene-3,7,12-triyl triacetate","IUCrData","2017","2","3","x170436","","10.1107/S2414314617004369","","","0.71073","MoKα","","0.048","0.0349","","","0.0806","0.089","","","","","","0.975","","","","has coordinates,has Fobs","199232","2020-10-21","18:00:00",""
"1546639","7.1335","0.0005","10.6863","0.0005","11.883","0.0006","99.856","0.004","93.53","0.005","101.937","0.005","868.75","0.09","173","2","173","2","","","","","","","","4","P -1","-P 1","2","","3,3'-(Hexane-1,6-diyl)bis(1-vinyl-4-imidazoline-2-thione)","","- C16 H22 N4 S2 -","- C16 H22 N4 S2 -","- C32 H44 N8 S4 -","2","1","SU4149","Partl, Gabriel; Laus, Gerhard; Kahlenberg, Volker; Huppertz, Hubert; Schottenberger, Herwig","3,3'-(Hexane-1,6-diyl)bis(1-vinyl-4-imidazoline-2-thione)","IUCrData","2017","2","4","x170599","","10.1107/S2414314617005995","","","0.71073","MoKα","","0.0328","0.0287","","","0.0694","0.0718","","","","","","1.054","","","","has coordinates,has Fobs","199233","2020-10-21","18:00:00",""
"1546640","6.8116","0.0002","7.2402","0.0002","13.4826","0.0003","96.943","0.002","90.862","0.002","106.139","0.002","633.21","0.03","293","2","293","2","","","","","","","","4","P -1","-P 1","2","","2-Oxo-2<i>H</i>-chromen-3-yl 4-fluorobenzoate","","- C16 H9 F O4 -","- C16 H9 F O4 -","- C32 H18 F2 O8 -","2","1","HB7657","Ziki, Eric; Sosso, Siaka; Cissé, Lamine; Bany, Guy Euloge; Djandé, Abdoulaye; Kakou-Yao, Rita","2-Oxo-2<i>H</i>-chromen-3-yl 4-fluorobenzoate","IUCrData","2017","2","4","x170550","","10.1107/S2414314617005508","","","1.54184","CuKα","","0.0394","0.0355","","","0.0963","0.0998","","","","","","1.092","","","","has coordinates,has Fobs","199234","2020-10-21","18:00:00",""
"1546641","7.307","0.0011","8.7763","0.0013","11.2927","0.0013","91.059","0.011","107.867","0.012","109.814","0.014","642.36","0.18","293","2","293","2","","","","","","","","4","P -1","-P 1","2","","Prop-2-ynyl 2-oxo-1-(prop-2-ynyl)-1,2-dihydroquinoline-4-carboxylate","","- C16 H11 N O3 -","- C16 H11 N O3 -","- C32 H22 N2 O6 -","2","1","VM4026","Filali Baba, Yassir; Kandri Rodi, Youssef; Jasinski, Jerry P.; Kaur, Manpreet; Ouzidan, Younes; Essassi, El Mokhtar","Prop-2-ynyl 2-oxo-1-(prop-2-ynyl)-1,2-dihydroquinoline-4-carboxylate","IUCrData","2017","2","7","x171072","","10.1107/S2414314617010720","","","1.54184","CuKα","","0.0738","0.0487","","","0.1181","0.1417","","","","","","1.019","","","","has coordinates,has Fobs","199235","2020-10-21","18:00:00",""
"1546642","6.2315","0.0003","15.5466","0.0008","18.9162","0.001","90","","98.845","0.001","90","","1810.78","0.16","296","2","296","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","(2<i>Z</i>)-2-(4-Chlorobenzylidene)-4-[2-(2-oxooxazoliden-3-yl)ethyl]-3,4-dihydro-2<i>H</i>-1,4-benzothiazin-3-one","","- C20 H17 Cl N2 O3 S -","- C20 H17 Cl N2 O3 S -","- C80 H68 Cl4 N8 O12 S4 -","4","1","WM4044","Ellouz, Mohamed; Sebbar, Nada Kheira; Boulhaoua, Mohammed; Essassi, El Mokhtar; Mague, Joel T.","(2<i>Z</i>)-2-(4-Chlorobenzylidene)-4-[2-(2-oxooxazoliden-3-yl)ethyl]-3,4-dihydro-2<i>H</i>-1,4-benzothiazin-3-one","IUCrData","2017","2","5","x170646","","10.1107/S2414314617006460","","","0.71073","MoKα","","0.0504","0.0408","","","0.1175","0.1229","","","","","","1.087","","","","has coordinates,has Fobs","199236","2020-10-21","18:00:00",""
"1546643","13.9601","0.0002","11.1172","0.0002","16.7313","0.0003","90","","96.019","0.001","90","","2582.34","0.08","296","2","296","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","5'-Benzylidene-1''-methyl-4''-phenyltrispiro[1,3-dioxolane-2,1'-cyclohexane-3',3''-pyrrolidine-2'',3'''-indole]-4',2'''-dione","","- C32 H30 N2 O4 -","- C32 H30 N2 O4 -","- C128 H120 N8 O16 -","4","1","RZ4014","Chandralekha, Kuppan; Gavaskar, Deivasigamani; Sureshbabu, Adukamparai Rajukrishnan; Lakshmi, Srinivasakannan","5'-Benzylidene-1''-methyl-4''-phenyltrispiro[1,3-dioxolane-2,1'-cyclohexane-3',3''-pyrrolidine-2'',3'''-indole]-4',2'''-dione","IUCrData","2017","2","5","x170639","","10.1107/S2414314617006393","","","0.71073","MoKα","","0.0831","0.0445","","","0.1093","0.1296","","","","","","1.037","","","","has coordinates,has Fobs","199237","2020-10-21","18:00:00",""
"1546644","27.4679","0.0006","9.5818","0.0002","20.2584","0.0005","90","","117.398","0.001","90","","4733.78","0.19","150","2","150","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","Methyl 2-{[(6<i>S*</i>,7<i>R*</i>,8<i>S*</i>)-7-acetyl-8-(4-chlorophenyl)-4-cyano-6-hydroxy-1,6-dimethyl-5,6,7,8-tetrahydroisoquinolin-3-yl]sulfanyl}acetate","","- C23 H23 Cl N2 O4 S -","- C23 H23 Cl N2 O4 S -","- C184 H184 Cl8 N16 O32 S8 -","8","1","SU4155","Mague, Joel T.; Al-Taifi, Elham A.; Mohamed, Shaaban K.; Akkurt, Mehmet; Bakhite, Etify A.","Methyl 2-{[(6<i>S*</i>,7<i>R*</i>,8<i>S*</i>)-7-acetyl-8-(4-chlorophenyl)-4-cyano-6-hydroxy-1,6-dimethyl-5,6,7,8-tetrahydroisoquinolin-3-yl]sulfanyl}acetate","IUCrData","2017","2","6","x170868","","10.1107/S2414314617008689","","","1.54178","CuKα","","0.0604","0.0575","","","0.1625","0.1656","","","","","","1.029","","","","has coordinates,has disorder,has Fobs","199238","2020-10-21","18:00:00",""
"1546645","13.6968","0.0012","12.1053","0.001","9.6353","0.0007","90","","105.17","0.003","90","","1541.9","0.2","295","2","295","2","","","","","","","","4","C 1 2 1","C 2y","5","","2-Amino-4-methylpyridinium 4-methoxybenzoate dihydrate","","- C14 H20 N2 O5 -","- C14 H20 N2 O5 -","- C56 H80 N8 O20 -","4","1","HB4140","Sivakumar, P.; Ezhamani, G.; Israel, S.; Chakkaravarthi, G.","2-Amino-4-methylpyridinium 4-methoxybenzoate dihydrate","IUCrData","2017","2","5","x170649","","10.1107/S2414314617006496","","","0.71073","MoKα","","0.0933","0.0461","","","0.1117","0.1329","","","","","","1.023","","","","has coordinates,has Fobs","199239","2020-10-21","18:00:00",""
"1546646","22.569","0.006","5.1097","0.0013","13.497","0.003","90","","90","","90","","1556.5","0.7","100","2","100","2","","","","","","","","5","P n a 21","P 2c -2n","33","","7-Bromo-1,4-dibutyl-1,2,3,4-tetrahydropyrido[2,3-<i>b</i>]pyrazine-2,3-dione","","- C15 H20 Br N3 O2 -","- C15 H20 Br N3 O2 -","- C60 H80 Br4 N12 O8 -","4","1","ZQ4022","Hjouji, Mohammed Yassin; Mague, Joel T.; Kandri Rodi, Youssef; Ouzidan, Younes; Ouazzani Chahdi, Fouad; Essassi, El Mokhtar","7-Bromo-1,4-dibutyl-1,2,3,4-tetrahydropyrido[2,3-<i>b</i>]pyrazine-2,3-dione","IUCrData","2017","2","7","x170984","","10.1107/S2414314617009841","","","0.71073","MoKα","","0.0917","0.068","","","0.1472","0.156","","","","","","1.064","","","","has coordinates,has Fobs","199240","2020-10-21","18:00:00",""
"1546647","5.3483","0.0001","14.1861","0.0004","19.1408","0.0005","90","","97.451","0.001","90","","1439.98","0.06","150","2","150","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","1-[(1-Benzyl-1<i>H</i>-1,2,3-triazol-4-yl)methyl]-1<i>H</i>-1,3-benzodiazole","","- C17 H15 N5 -","- C17 H15 N5 -","- C68 H60 N20 -","4","1","VM4024","Sahbi, Azzeddine; Fichtali, Ismail; Mague, Joel T.; Ben-Tama, Abdeslem; El Hadrami, El Mestafa; Kandri Rodi, Youssef","1-[(1-Benzyl-1<i>H</i>-1,2,3-triazol-4-yl)methyl]-1<i>H</i>-1,3-benzodiazole","IUCrData","2017","2","6","x170944","","10.1107/S2414314617009440","","","1.54178","CuKα","","0.0477","0.0398","","","0.0919","0.0974","","","","","","1.044","","","","has coordinates,has Fobs","199241","2020-10-21","18:00:00",""
"1546648","11.6978","0.0006","7.1331","0.0004","21.1822","0.0012","90","","95.311","0.004","90","","1759.89","0.17","293","2","293","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","<i>N</i>,<i>N</i>-Diethyl-2-[5-(4-methoxybenzylidene)-2,4-dioxo-1,3-thiazolidin-3-yl]acetamide","","- C17 H20 N2 O4 S -","- C17 H20 N2 O4 S -","- C68 H80 N8 O16 S4 -","4","1","HB4137","Viswanathan, Vijayan; Yasmin, Sabina; Jayaprakash, Venkatesan; Velmurugan, Devadasan","<i>N</i>,<i>N</i>-Diethyl-2-[5-(4-methoxybenzylidene)-2,4-dioxo-1,3-thiazolidin-3-yl]acetamide","IUCrData","2017","2","5","x170716","","10.1107/S2414314617007167","","","0.71073","MoKα","","0.1993","0.0541","","","0.1379","0.2116","","","","","","0.844","","","","has coordinates,has disorder,has Fobs","199242","2020-10-21","18:00:00",""
"1546649","9.784","0.001","10.291","0.001","21.58","0.02","90","","99.528","0.011","90","","2143","2","296","2","296","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","3-(4-Methoxyphenyl)-4-methyl-<i>N</i>-[4-(4-methylphenyl)-1,3-thiazol-2-yl]benzamide","","- C25 H22 N2 O2 S -","- C25 H22 N2 O2 S -","- C100 H88 N8 O8 S4 -","4","1","BT4049","Archana, K.; Saravanan, K.; Lakshmithendral, K.; Kabilan, S.; Selvanayagam, S.","3-(4-Methoxyphenyl)-4-methyl-<i>N</i>-[4-(4-methylphenyl)-1,3-thiazol-2-yl]benzamide","IUCrData","2017","2","5","x170721","","10.1107/S2414314617007210","","","0.71073","MoKα","","0.0789","0.057","","","0.1562","0.1783","","","","","","1.06","","","","has coordinates,has Fobs","199243","2020-10-21","18:00:00",""
"1546650","5.8882","0.0007","16.418","0.003","18.894","0.003","90","","95.016","0.005","90","","1819.5","0.5","296","2","296","2","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","8-Hydroxy-3,4-bis(4-methoxyphenyl)-1<i>H</i>-isochromen-1-one","","- C23 H18 O5 -","- C23 H18 O5 -","- C92 H72 O20 -","4","1","SU4147","Mayakrishnan, Sivakalai; Arun, Y.; Maheswari, Narayanan Uma","8-Hydroxy-3,4-bis(4-methoxyphenyl)-1<i>H</i>-isochromen-1-one","IUCrData","2017","2","4","x170535","","10.1107/S2414314617005351","","","0.71073","MoKα","","0.1491","0.0613","","","0.1486","0.1974","","","","","","1.01","","","","has coordinates,has Fobs","199244","2020-10-21","18:00:00",""
"1546651","12.035","0.0005","24.5052","0.0009","4.9909","0.0002","90","","90","","90","","1471.92","0.1","150","2","150","2","","","","","","","","4","P n a 21","P 2c -2n","33","","2-(1-Hexyl-2-oxo-2,3-dihydro-1<i>H</i>-indol-3-ylidene)propanedinitrile","","- C17 H17 N3 O -","- C17 H17 N3 O -","- C68 H68 N12 O4 -","4","1","SJ4112","Rayni, Ibtissam; El Bakri, Youness; Sebhaoui, Jihad; El Bourakadi, Khadija; Essassi, El Mokhtar; Mague, Joel T.","2-(1-Hexyl-2-oxo-2,3-dihydro-1<i>H</i>-indol-3-ylidene)propanedinitrile","IUCrData","2017","2","5","x170706","","10.1107/S2414314617007064","","","1.54178","CuKα","","0.0484","0.0446","","","0.1108","0.1139","","","","","","1.075","","","","has coordinates,has Fobs","199245","2020-10-21","18:00:00",""
"1546652","20.4402","0.0006","20.4402","0.0006","5.7266","0.0004","90","","90","","90","","2392.58","0.19","173","2","173","2","","","","","","","","4","I -4","I -4","82","","(Benzylthiolato-κ<i>S</i>)phenylmercury(II)","","- C13 H12 Hg S -","- C13 H12 Hg S -","- C104 H96 Hg8 S8 -","8","1","SJ4103","Nath, Paras; Bharty, Manoj K.; Gupta, Sushil K.; Butcher, Ray J.; Jasinski, Jerry P.","(Benzylthiolato-κS)phenylmercury(II)","IUCrData","2017","2","4","","","10.1107/S241431461700503X","","","0.71073","MoKα","","0.0428","0.0351","","","0.07","0.0749","","","","","","1.042","","","","has coordinates,has Fobs","199246","2020-10-21","18:00:00",""
"1546653","26.407","0.001","14.3718","0.0005","12.9624","0.0005","90","","108.312","0.002","90","","4670.3","0.3","298","2","298","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","1,4-Di-<i>n</i>-octyl-1,2,3,4-tetrahydroquinoxaline-2,3-dione","","- C24 H38 N2 O2 -","- C24 H38 N2 O2 -","- C192 H304 N16 O16 -","8","1","HG4021","El Bourakadi, Khadija; El Bakri, Youness; Sebhaoui, Jihad; Rayni, Ibtissam; Essassi, El Mokhtar; Mague, Joel T.","1,4-Di-<i>n</i>-octyl-1,2,3,4-tetrahydroquinoxaline-2,3-dione","IUCrData","2017","2","4","x170520","","10.1107/S241431461700520X","","","1.54178","CuKα","","0.1128","0.072","","","0.1763","0.2028","","","","","","1.023","","","","has coordinates,has Fobs","199247","2020-10-21","18:00:00",""
"1546654","33.5367","0.0015","5.5506","0.0002","14.7248","0.0007","90","","96.873","0.002","90","","2721.3","0.2","296","2","296","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","2-[5-(Pyridin-2-yl)-1,3,4-thiadiazol-2-yl]pyridin-1-ium perchlorate","","- C12 H9 Cl N4 O4 S -","- C12 H9 Cl N4 O4 S -","- C96 H72 Cl8 N32 O32 S8 -","8","1","SU4143","Laachir, Abdelhakim; Bentiss, Fouad; Guesmi, Salaheddine; Saadi, Mohamed; El Ammari, Lahcen","2-[5-(Pyridin-2-yl)-1,3,4-thiadiazol-2-yl]pyridin-1-ium perchlorate","IUCrData","2017","2","3","x170465","","10.1107/S2414314617004655","","","0.71073","MoKα","","0.0568","0.0382","","","0.0976","0.1113","","","","","","1.029","","","","has coordinates,has Fobs","199248","2020-10-21","18:00:00",""
"1546655","14.054","0.0011","11.2639","0.0006","9.6184","0.0005","90","","90","","90","","1522.62","0.16","100","2","100","2","","","","","","","","3","P c a 21","P 2c -2ac","29","","9-(1<i>H</i>-Benzo[<i>d</i>]imidazol-2-yl)-2,3,6,7-tetrahydro-1<i>H</i>,5<i>H</i>-pyrido[3,2,1-<i>ij</i>]quinoline","","- C19 H19 N3 -","- C19 H19 N3 -","- C76 H76 N12 -","4","1","BH4024","González, Gerardo García; Unnamatla, M. V. Basavanag","9-(1<i>H</i>-Benzo[<i>d</i>]imidazol-2-yl)-2,3,6,7-tetrahydro-1<i>H</i>,5<i>H</i>-pyrido[3,2,1-<i>ij</i>]quinoline","IUCrData","2017","2","3","x170445","","10.1107/S241431461700445X","","","0.71073","MoKα","","0.0607","0.0559","","","0.1484","0.1539","","","","","","1.052","","","","has coordinates,has Fobs","199249","2020-10-21","18:00:00",""
"1546656","6.9243","0.0006","7.7262","0.0008","11.8168","0.0006","84.55","0.006","81.852","0.006","83.023","0.008","619.22","0.09","298","0.2","298","0.2","","","","","","","","3","P -1","-P 1","2","","2-Oxo-2<i>H</i>-chromen-3-yl benzoate","","- C16 H10 O4 -","- C16 H10 O4 -","- C32 H20 O8 -","2","1","HB4144","Kambo, Konan René; Sosso, Siaka; Mansilla-Koblavi, F.; Djandé, Abdoulaye; Kakou-Yao, Rita","2-Oxo-2<i>H</i>-chromen-3-yl benzoate","IUCrData","2017","2","5","x170663","","10.1107/S2414314617006630","","","0.71073","MoKα","","0.075","0.0509","","","0.1412","0.1589","","","","","","1.036","","","","has coordinates,has Fobs","199250","2020-10-21","18:00:00",""
"1546657","4.9634","0.0001","14.0708","0.0003","25.7168","0.0006","90","","90.602","0.001","90","","1795.94","0.07","150","2","150","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","(Pyridin-2-yl)methyl 2-oxo-1-[(pyridin-2-yl)methyl]-1,2-dihydroquinoline-4-carboxylate hemihydrate","","- C22 H18 N3 O3.5 -","- C22 H18 N3 O3.5 -","- C88 H72 N12 O14 -","4","1","VM4025","Filali Baba, Yassir; Kandri Rodi, Youssef; Ouzidan, Younes; Mague, Joel T.; Ouazzani Chahdi, Fouad; Essassi, El Mokhtar","(Pyridin-2-yl)methyl 2-oxo-1-[(pyridin-2-yl)methyl]-1,2-dihydroquinoline-4-carboxylate hemihydrate","IUCrData","2017","2","7","x171038","","10.1107/S2414314617010380","","","1.54178","CuKα","","0.066","0.0471","","","0.0959","0.1056","","","","","","1.036","","","","has coordinates,has Fobs","199251","2020-10-21","18:00:00",""
"1546658","13.9866","0.0006","7.9972","0.0004","23.122","0.001","90","","90","","90","","2586.3","0.2","298","2","298","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","(2,4-Dichlorophenyl)(3-hydroxypiperidin-1-yl)methanone","","- C12 H13 Cl2 N O2 -","- C12 H13 Cl2 N O2 -","- C96 H104 Cl16 N8 O16 -","8","1","SU4151","Mohamooda Sumaya, U.; Reuben Jonathan, D.; Era, Dravida Thendral; Gomathi, S.; Usha, G.","(2,4-Dichlorophenyl)(3-hydroxypiperidin-1-yl)methanone: crystal structure and Hirshfeld analysis","IUCrData","2017","2","6","x170813","","10.1107/S2414314617008136","","","0.71073","MoKα","","0.0979","0.0483","","","0.1258","0.1638","","","","","","1.047","","","","has coordinates,has disorder,has Fobs","199252","2020-10-21","18:00:00",""
"1546659","13.357","0.003","9.209","0.002","16.743","0.004","90","","113.277","0.003","90","","1891.8","0.7","295","2","295","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","1,4-Dihexyl-1,2,3,4-tetrahydroquinoxaline-2,3-dione","","- C20 H30 N2 O2 -","- C20 H30 N2 O2 -","- C80 H120 N8 O8 -","4","0.5","HB4157","El Bourakadi, Khadija; El Bakri, Youness; Sebhaoui, Jihad; Rayni, Ibtissam; Essassi, El Mokhtar; Mague, Joel T.","1,4-Dihexyl-1,2,3,4-tetrahydroquinoxaline-2,3-dione","IUCrData","2017","2","7","x171019","","10.1107/S2414314617010197","","","0.71073","MoKα","","0.0929","0.0615","","","0.1704","0.196","","","","","","1.037","","","","has coordinates,has Fobs","199253","2020-10-21","18:00:00",""
"1546660","33.8411","0.0007","4.7106","0.0001","18.0987","0.0004","90","","90.47","0.001","90","","2885.05","0.11","150","2","150","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","(2<i>Z</i>)-2-Benzylidene-4-octadecyl-3,4-dihydro-2<i>H</i>-1,4-benzothiazin-3-one","","- C33 H47 N O S -","- C33 H47 N O S -","- C132 H188 N4 O4 S4 -","4","1","ZQ4019","Sebbar, Nada Kheira; Ellouz, Mohamed; Lahmidi, Sanae; Hlimi, Fouzia; Essassi, El Mokhtar; Mague, Joel T.","(2<i>Z</i>)-2-Benzylidene-4-octadecyl-3,4-dihydro-2<i>H</i>-1,4-benzothiazin-3-one","IUCrData","2017","2","5","x170695","","10.1107/S2414314617006952","","","1.54178","CuKα","","0.0544","0.0456","","","0.1134","0.1195","","","","","","1.062","","","","has coordinates,has disorder,has Fobs","199254","2020-10-21","18:00:00",""
"1546661","5.7619","0.0002","22.1304","0.0006","13.6271","0.0004","90","","99.102","0.001","90","","1715.75","0.09","150","2","150","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","2-[4,5-Diphenyl-2-(pyridin-4-yl)-1<i>H</i>-imidazol-1-yl]ethanol","","- C22 H19 N3 O -","- C22 H19 N3 O -","- C88 H76 N12 O4 -","4","1","BT4037","Mague, Joel T.; Mohamed, Shaaban K.; Akkurt, Mehmet; Marzouk, Adel A.; Albayati, Mustafa R.","2-[4,5-Diphenyl-2-(pyridin-4-yl)-1<i>H</i>-imidazol-1-yl]ethanol","IUCrData","2017","2","1","x170132","","10.1107/S2414314617001328","","","1.54178","CuKα","","0.0485","0.0381","","","0.0848","0.0903","","","","","","1.051","","","","has coordinates,has Fobs","199255","2020-10-21","18:00:00",""
"1546662","8.5878","0.0008","9.0603","0.0008","12.8566","0.0012","85.076","0.007","82.558","0.007","70.917","0.008","936.4","0.16","293","2","293","2","","","","","","","","4","P -1","-P 1","2","","1-(Cyclohex-1-en-1-yl)-3-[(1-phenyl-1<i>H</i>-1,2,3-triazol-4-yl)methyl]-1<i>H</i>-benzimidazol-2(3<i>H</i>)-one","","- C22 H21 N5 O -","- C22 H21 N5 O -","- C44 H42 N10 O2 -","2","1","","Adardour, Mohamed; Loughzail, Mohamed; Dahaoui, Slimane; Baouid, Abdesselam; Berraho, Moha","1-(Cyclohex-1-en-1-yl)-3-[(1-phenyl-1<i>H</i>-1,2,3-triazol-4-yl)methyl]-1<i>H</i>-benzimidazol-2(3<i>H</i>)-one","IUCrData","2017","2","6","x170907","","10.1107/S2414314617009075","","","0.71073","MoKα","","0.0714","0.0535","","","0.1285","0.1428","","","","","","1.034","","","","has coordinates,has Fobs","199256","2020-10-21","18:00:00",""
"1546663","9.968","0.004","15.529","0.006","10.119","0.004","90","","102.558","0.009","90","","1528.9","1","296","2","296","2","","","","","","","","3","P 1 21 1","P 2yb","4","(<i>E</i>)-<i>N</i>-(1<i>H</i>-Pyrrol-2-ylmethylidene)-2-{[(<i>E</i>)-(1<i>H</i>-pyrrol-2-ylmethylidene)amino]methyl}aniline","","","- C17 H16 N4 -","- C17 H16 N4 -","- C68 H64 N16 -","4","2","SU4142","Raghuvarman, B.; Gayathri, Jayagopi; Selvan, Kumar Sangeetha; Sugumar, P.; Ponnuswamy, M. N.","(<i>E</i>)-<i>N</i>-(1<i>H</i>-Pyrrol-2-ylmethylidene)-2-{[(<i>E</i>)-(1<i>H</i>-pyrrol-2-ylmethylidene)amino]methyl}aniline","IUCrData","2017","2","4","x170540","","10.1107/S2414314617005405","","","0.71073","MoKα","","0.0905","0.0433","","","0.0759","0.0915","","","","","","0.988","","","","has coordinates,has Fobs","199257","2020-10-21","18:00:00",""
"1546664","12.8083","0.0008","14.637","0.001","18.9082","0.0012","106.916","0.002","98.406","0.002","110.635","0.002","3048.9","0.4","147","2","147","2","","","","","","","","8","P 1","P 1","1","","Chloridocarbonyl{(1<i>S</i>,2<i>S</i>)-<i>N</i>-[2-(diphenylphosphanyl)ethyl]-<i>N</i>'-[2-(dicyclohexylphosphanyl)ethylidenyl]-1,2-diphenylethane-1,2-diamine}iron(II) tetraphenylborate","","- C67 H72 B Br Fe N2 O P2 -","- C67 H72 B Br Fe N2 O P2 -","- C134 H144 B2 Br2 Fe2 N4 O2 P4 -","2","2","HB4129","Smith, Samantha A. M.; Lough, Alan J.; Morris, Robert H.","Bromidocarbonyl{(1<i>S</i>,2<i>S</i>)-<i>N</i>-[2-(dicyclohexylphosphanyl)ethylidenyl]-<i>N</i>'-[2-(diphenylphosphanyl)ethyl]-1,2-diphenylethane-1,2-diamine}iron(II) tetraphenylborate","IUCrData","2017","2","3","x170452","","10.1107/S2414314617004527","","","0.71073","MoKα","","0.0544","0.0403","","","0.0834","0.0892","","","","","","1.039","","","","has coordinates,has Fobs","199258","2020-10-21","18:00:00",""
"1546665","9.4093","0.0003","10.5822","0.0004","12.2844","0.0005","90","","107.64","0.001","90","","1165.66","0.07","193","2","193","2","","","","","","","","5","P 1 21 1","P 2yb","4","","(<i>R</i>)-3-(<i>tert</i>-Butoxycarbonyl)-5-methyl-1,2,3-oxathiazolidine 2,2-dioxide","","- C8 H15 N O5 S -","- C8 H15 N O5 S -","- C32 H60 N4 O20 S4 -","4","2","HB4152","Laus, Gerhard; Wurst, Klaus; Nerdinger, Sven; Richter, Frank; Schottenberger, Herwig","(<i>R</i>)-3-(<i>tert</i>-Butoxycarbonyl)-5-methyl-1,2,3-oxathiazolidine 2,2-dioxide","IUCrData","2017","2","6","x170869","","10.1107/S2414314617008690","","","0.71073","MoKα","","0.0293","0.0271","","","0.072","0.0732","","","","","","1.043","","","","has coordinates,has Fobs","199259","2020-10-21","18:00:00",""
"1546666","5.6382","0.0011","13.622","0.003","20.662","0.004","90","","92.289","0.006","90","","1585.6","0.6","100","","100","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","3-(2-Chloropyridin-3-yl)quinazoline-2,4(1<i>H</i>,3<i>H</i>)-dione chloroform monosolvate","","- C14 H9 Cl4 N3 O2 -","- C14 H9 Cl4 N3 O2 -","- C56 H36 Cl16 N12 O8 -","4","1","","Riad, Noura M.; Zlotos, Darius P.; Holzgrabe, Ulrike","3-(2-Chloropyridin-3-yl)quinazoline-2,4(1<i>H</i>,3<i>H</i>)-dione chloroform monosolvate","IUCrData","2017","2","4","x170580","","10.1107/S2414314617005806","","","0.71073","MoKα","","0.05","0.0399","","","0.1008","0.1085","","","","","","1.082","","","","has coordinates,has Fobs","199260","2020-10-21","18:00:00",""
"1546667","8.6864","0.0006","8.9925","0.0006","10.9872","0.0007","110.653","0.001","95.111","0.001","104.723","0.001","761.42","0.09","100","2","100","2","","","","","","","","4","P -1","-P 1","2","","(4<i>Z</i>)-4-(2-Oxopropylidene)-1,3-bis(prop-2-en-1-yl)-2,3,4,5-tetrahydro-1<i>H</i>-1,5-benzodiazepin-2-one","","- C18 H20 N2 O2 -","- C18 H20 N2 O2 -","- C36 H40 N4 O4 -","2","1","SJ4101","Sebhaoui, Jihad; El Bakri, Youness; Rayni, Ibtissam; El Bourakadi, Khadija; Essassi, El Mokhtar; Mague, Joel T.","(4<i>Z</i>)-4-(2-Oxopropylidene)-1,3-bis(prop-2-en-1-yl)-2,3,4,5-tetrahydro-1<i>H</i>-1,5-benzodiazepin-2-one","IUCrData","2017","2","4","x170493","","10.1107/S241431461700493X","","","0.71073","MoKα","","0.0541","0.0447","","","0.1235","0.1282","","","","","","1.086","","","","has coordinates,has Fobs","199261","2020-10-21","18:00:00",""
"1546668","6.9617","0.0017","7.5941","0.0019","9.464","0.002","86.06","0.02","82.118","0.019","67.102","0.018","456.5","0.2","173","2","173","2","","","","","","","","4","P -1","-P 1","2","","1-Allyl-2-methylpyridinium chloride","","- C9 H12 Cl N -","- C9 H12 Cl N -","- C18 H24 Cl2 N2 -","2","1","HB4138","Bentivoglio, Gino; Laus, Gerhard; Kahlenberg, Volker; Röder, Thomas; Schottenberger, Herwig","1-Allyl-2-methylpyridinium chloride","IUCrData","2017","2","4","x170598","","10.1107/S2414314617005983","","","0.71073","MoKα","","0.0328","0.0276","","","0.065","0.0669","","","","","","1.046","","","","has coordinates,has Fobs","199262","2020-10-21","18:00:00",""
"1546669","10.721","0.0002","13.7039","0.0002","11.5761","0.0002","90","","107.032","0.0006","90","","1626.16","0.05","150","2","150","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","1-(1-Benzyl-2,5-dimethyl-4-phenyl-1<i>H</i>-pyrrol-3-yl)ethanone","","- C21 H21 N O -","- C21 H21 N O -","- C84 H84 N4 O4 -","4","1","RZ4016","Louroubi, Abdelhadi; Outouch, Rachid; Ait Ali, Mustapha; Spannenberg, Anke; El Firdoussi, Larbi","1-(1-Benzyl-2,5-dimethyl-4-phenyl-1<i>H</i>-pyrrol-3-yl)ethanone","IUCrData","2017","2","6","x170895","","10.1107/S2414314617008951","","","0.71073","MoKα","","0.0433","0.0383","","","0.099","0.1039","","","","","","1.044","","","","has coordinates,has Fobs","199263","2020-10-21","18:00:00",""
"1546670","20.333","0.0004","14.2764","0.0003","4.5089","0.0001","90","","90","","90","","1308.85","0.05","150","2","150","2","","","","","","","","4","P n a 21","P 2c -2n","33","","4-[(1<i>H</i>-Imidazol-1-yl)methyl]-1-(4-nitrobenzyl)-1<i>H</i>-1,2,3-triazole","","- C13 H12 N6 O2 -","- C13 H12 N6 O2 -","- C52 H48 N24 O8 -","4","1","SJ4100","Sahbi, Azzeddine; Mague, Joel T.; Ben-Tama, Abdeslem; El Hadrami, El Mestafa; Gaamoussi, Issam; Ouzidan, Younes","4-[(1<i>H</i>-Imidazol-1-yl)methyl]-1-(4-nitrobenzyl)-1<i>H</i>-1,2,3-triazole","IUCrData","2017","2","4","x170515","","10.1107/S2414314617005156","","","1.54178","CuKα","","0.0329","0.0292","","","0.0673","0.0697","","","","","","1.046","","","","has coordinates,has Fobs","199264","2020-10-21","18:00:00",""
"1546671","14.8643","0.0006","7.6795","0.0004","12.069","0.0005","90","","108.465","0.004","90","","1306.75","0.11","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","6-Bromo-2-(4-methoxyphenyl)-3-methyl-3<i>H</i>-imidazo[4,5-<i>b</i>]pyridine","","- C14 H12 Br N3 O -","- C14 H12 Br N3 O -","- C56 H48 Br4 N12 O4 -","4","1","SJ4128","Bourichi, Selma; Kandri Rodi, Youssef; Jasinski, Jerry P.; Kaur, Manpreet; El Hadrami, El Mestafa; Essassi, El Mokhtar","6-Bromo-2-(4-methoxyphenyl)-3-methyl-3<i>H</i>-imidazo[4,5-<i>b</i>]pyridine","IUCrData","2017","2","7","x171071","","10.1107/S2414314617010719","","","1.54184","CuKα","","0.0509","0.039","","","0.0972","0.1072","","","","","","1.047","","","","has coordinates,has Fobs","199265","2020-10-21","18:00:00",""
"1546672","3.8872","0.0001","6.8386","0.0003","13.6279","0.0005","90","","93.303","0.002","90","","361.67","0.02","150","","150","","","","","","","","","4","P 1 21 1","P 2yb","4","","Methyl 5-methylpyrazine-2-carboxylate","","- C7 H8 N2 O2 -","- C7 H8 N2 O2 -","- C14 H16 N4 O4 -","2","1","SJ4126","Rillema, D. Paul; KomReddy, Venugopal; Senaratne, Nilmini K.; Eichhorn, David M.","Methyl 5-methylpyrazine-2-carboxylate","IUCrData","2017","2","7","x170997","","10.1107/S241431461700997X","","","0.71073","MoKα","","0.0303","0.029","","","0.0817","0.0827","","","","","","1.137","","","","has coordinates,has Fobs","199266","2020-10-21","18:00:00",""
"1546673","9.2518","0.0002","10.3432","0.0002","38.5674","0.0007","90","","90","","90","","3690.64","0.13","296","2","296","2","","","","","","","","6","P b c a","-P 2ac 2ab","61","","3'-(4-Chlorophenyl)-4'-phenyl-3<i>H</i>,4'<i>H</i>-spiro[benzo[<i>b</i>]thiophene-2,5'-isoxazol]-3-one","","- C22 H14 Cl N O2 S -","- C22 H14 Cl N O2 S -","- C176 H112 Cl8 N8 O16 S8 -","8","1","SJ4110","Bakhouch, Mohamed; El Yazidi, Mohamed; Al Houari, Ghali; Saadi, Mohamed; El Ammari, Lahcen","3'-(4-Chlorophenyl)-4'-phenyl-3<i>H</i>,4'<i>H</i>-spiro[benzo[<i>b</i>]thiophene-2,5'-isoxazol]-3-one","IUCrData","2017","2","5","x170677","","10.1107/S2414314617006770","","","0.71073","MoKα","","0.0742","0.047","","","0.1117","0.1275","","","","","","1.021","","","","has coordinates,has Fobs","199267","2020-10-21","18:00:00",""
"1546674","29.2234","0.0004","8.3076","0.0002","31.0407","0.0005","90","","101.859","0.002","90","","7375.1","0.2","293","2","293","2","","","","","","","","5","I 1 2/a 1","-I 2ya","15","","1,4-Dibenzyl-6-chloroquinoxaline-2,3(1<i>H</i>,4<i>H</i>)-dione","","- C22 H17 Cl N2 O2 -","- C22 H17 Cl N2 O2 -","- C352 H272 Cl16 N32 O32 -","16","2","SJ4123","El Janati, Ali; Kandri Rodi, Youssef; Jasinski, Jerry P.; Kaur, Manpreet; Ouzidan, Younes; Essassi, El Mokhtar","1,4-Dibenzyl-6-chloroquinoxaline-2,3(1<i>H</i>,4<i>H</i>)-dione","IUCrData","2017","2","6","x170901","","10.1107/S2414314617009014","","","1.54184","CuKα","","0.069","0.0527","","","0.144","0.1562","","","","","","1.042","","","","has coordinates,has Fobs","199268","2020-10-21","18:00:00",""
"1546675","7.4984","0.0003","16.2805","0.0007","8.3363","0.0003","90","","97.403","0.004","90","","1009.19","0.07","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","3-Chloro-1-ethyl-6-nitro-1<i>H</i>-indazole","","- C9 H8 Cl N3 O2 -","- C9 H8 Cl N3 O2 -","- C36 H32 Cl4 N12 O8 -","4","1","HB4155","Mohamed Abdelahi, Mohamed Mokhtar; Sebbar, Nada Kheira; Jasinski, Jerry P.; Kaur, Manpreet; Essassi, El Mokhtar; Benchidmi, Mohammed","3-Chloro-1-ethyl-6-nitro-1<i>H</i>-indazole","IUCrData","2017","2","7","x170972","","10.1107/S2414314617009725","","","1.54184","CuKα","","0.0513","0.0418","","","0.1062","0.1158","","","","","","1.026","","","","has coordinates,has Fobs","199269","2020-10-21","18:00:00",""
"1546676","9.6036","0.0002","10.806","0.0003","11.4686","0.0003","108.617","0.002","100.558","0.002","109.477","0.0012","1005.91","0.05","103","2","103","2","","","","","","","","3","P -1","-P 1","2","Dodecaallylhexasilacyclohexane","1,1,2,2,3,3,4,4,5,5,6,6-Dodecaallylhexasilinane","","- C36 H60 Si6 -","- C36 H60 Si6 -","- C36 H60 Si6 -","1","0.5","WM4048","Mizuhata, Yoshiyuki; Omatsu, Yamato; Tokitoh, Norihiro","Dodecaallylhexasilacyclohexane","IUCrData","2017","2","6","x170807","","10.1107/S2414314617008070","","","0.71075","MoKα","","0.0347","0.0324","","","0.0869","0.0886","","","","","","1.037","","","","has coordinates,has Fobs","199270","2020-10-21","18:00:00",""
"1546677","11.1688","0.0002","9.0576","0.0002","11.9237","0.0002","90","","106.77","0.001","90","","1154.93","0.04","150","2","150","2","","","","","","","","5","P 1 21 1","P 2yb","4","","5-Fluoro-1-[(1-{[(1<i>S</i>,2<i>R</i>,6<i>R</i>,8<i>S</i>,9<i>R</i>)-4,4,11,11-tetramethyl-3,5,7,10,12-pentaoxatricyclo[7.3.0.0^2,6^]dodecan-8-yl]methyl}-1<i>H</i>-1,2,3-triazol-4-yl)methyl]-2,3-dihydro-1<i>H</i>-indole-2,3-dione","","- C23 H25 F N4 O7 -","- C23 H25 F N4 O7 -","- C46 H50 F2 N8 O14 -","2","1","HB4145","Qachchachi, Fatima-Zahrae; Mague, Joel T.; Kandri Rodi, Youssef; Haoudi, Amal; El Hadrami, El Mestafa; Essassi, El Mokhtar","5-Fluoro-1-[(1-{[(1<i>S</i>,2<i>R</i>,6<i>R</i>,8<i>S</i>,9<i>R</i>)-4,4,11,11-tetramethyl-3,5,7,10,12-pentaoxatricyclo[7.3.0.0^2,6^]dodecan-8-yl]methyl}-1<i>H</i>-1,2,3-triazol-4-yl)methyl]-2,3-dihydro-1<i>H</i>-indole-2,3-dione","IUCrData","2017","2","5","x170739","","10.1107/S2414314617007398","","","1.54178","CuKα","","0.0325","0.0304","","","0.0723","0.0739","","","","","","1.071","","","","has coordinates,has Fobs","199271","2020-10-21","18:00:00",""
"1546678","16.158","0.003","3.996","0.0006","17.551","0.003","90","","115.316","0.005","90","","1024.4","0.3","296","2","296","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","5,7-Dibromo-8-methoxyquinoline","","- C10 H7 Br2 N O -","- C10 H7 Br2 N O -","- C40 H28 Br8 N4 O4 -","4","1","HB4142","Çelik, Ísmail; Ökten, Salih; Akkurt, Mehmet; Ersanlı, Cem Cüneyt; Çakmak, Osman; Özbakır, Rana","5,7-Dibromo-8-methoxyquinoline","IUCrData","2017","2","5","x170643","","10.1107/S2414314617006435","","","0.71073","MoKα","","0.0456","0.0276","","","0.0532","0.0589","","","","","","1.027","","","","has coordinates,has Fobs","199272","2020-10-21","18:00:00",""
"1546679","8.5948","0.0015","10.1942","0.0016","10.2572","0.0017","74.93","0.007","75.306","0.007","89.866","0.007","837.5","0.2","296","2","296","2","","","","","","","","4","P -1","-P 1","2","","5-Acetyl-4-(2,5-dimethoxyphenyl)-6-methyl-1-(prop-2-ynyl)-3,4-dihydropyrimidin-2(1<i>H</i>)-one","","- C18 H20 N2 O4 -","- C18 H20 N2 O4 -","- C36 H40 N4 O8 -","2","1","SU4154","Kaoukabi, Hanane; Taourirte, Moha; El Azhari, Mohamed; Lazrek, Hassan B.; Saadi, Mohamed; El Ammari, Lahcen","5-Acetyl-4-(2,5-dimethoxyphenyl)-6-methyl-1-(prop-2-ynyl)-3,4-dihydropyrimidin-2(1<i>H</i>)-one","IUCrData","2017","2","6","x170816","","10.1107/S2414314617008161","","","0.71073","MoKα","","0.0573","0.0485","","","0.1361","0.1472","","","","","","1.048","","","","has coordinates,has Fobs","199273","2020-10-21","18:00:00",""
"1546680","8.8898","0.0008","8.9885","0.0009","12.1973","0.001","89.908","0.008","84.49","0.007","63.534","0.009","867.53","0.15","293","2","293","2","","","","","","","","6","P -1","-P 1","2","","(<i>Z</i>)-4-<i>n</i>-Butyl-2-(4-chlorobenzylidene)-2<i>H</i>-1,4-benzothiazin-3(4<i>H</i>)-one","","- C19 H18 Cl N O S -","- C19 H18 Cl N O S -","- C38 H36 Cl2 N2 O2 S2 -","2","1","SJ4118","Ellouz, Mohamed; Sebbar, Nada Kheira; Ouzidan, Younes; Kaur, Manpreet; Essassi, El Mokhtar; Jasinski, Jerry P.","(<i>Z</i>)-4-<i>n</i>-Butyl-2-(4-chlorobenzylidene)-2<i>H</i>-1,4-benzothiazin-3(4<i>H</i>)-one","IUCrData","2017","2","6","x170870","","10.1107/S2414314617008707","","","1.54184","CuKα","","0.057","0.0494","","","0.1362","0.1458","","","","","","1.034","","","","has coordinates,has Fobs","199274","2020-10-21","18:00:00",""
"1546681","3.8145","0.0003","12.4829","0.001","17.4438","0.0015","90","","90","","90","","830.6","0.12","150","2","150","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","2,6-Dichloro-4-nitrotoluene","1,3-Dichloro-2-methyl-5-nitrobenzene","","- C7 H5 Cl2 N O2 -","- C7 H5 Cl2 N O2 -","- C28 H20 Cl8 N4 O8 -","4","1","LH4019","Medjroubi, Mohamed Larbi; Boudjada, Ali; Hamdouni, Noudjoud; Jeannin, Olivier; Meinnel, Jean","2,6-Dichloro-4-nitrotoluene","IUCrData","2017","2","5","x170672","","10.1107/S2414314617006721","","","0.7107","MoKα","","0.0327","0.0301","","","0.0645","0.0659","","","","","","1.068","","","","has coordinates,has Fobs","199275","2020-10-21","18:00:00",""
"1546682","7.7711","0.0006","10.9897","0.0011","11.409","0.0011","112.013","0.009","109.259","0.008","98.12","0.007","812.78","0.16","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","(<i>Z</i>)-2-Benzylidene-3-<i>n</i>-butoxy-2<i>H</i>-1,4-benzothiazine","","- C19 H19 N O S -","- C19 H19 N O S -","- C38 H38 N2 O2 S2 -","2","1","SJ4120","Sebbar, Nada Kheira; Ellouz, Mohamed; Ouzidan, Younes; Kaur, Manpreet; Essassi, El Mokhtar; Jasinski, Jerry P.","(<i>Z</i>)-2-Benzylidene-3-<i>n</i>-butoxy-2<i>H</i>-1,4-benzothiazine","IUCrData","2017","2","6","x170890","","10.1107/S2414314617008902","","","1.54184","CuKα","","0.0587","0.0484","","","0.1308","0.1402","","","","","","1.049","","","","has coordinates,has Fobs","199276","2020-10-21","18:00:00",""
"1546683","11.2363","0.0007","7.4063","0.0005","12.1247","0.0008","90","","111.051","0.001","90","","941.67","0.11","100","2","100","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","3-Chloro-2-ethyl-6-nitro-2<i>H</i>-indazole","","- C9 H8 Cl N3 O2 -","- C9 H8 Cl N3 O2 -","- C36 H32 Cl4 N12 O8 -","4","1","SJ4109","Mohamed Abdelahi, Mohamed Mokhtar; El Bakri, Youness; Minnih, Mohamed Said; Benchidmi, Mohammed; Essassi, El Mokhtar; Mague, Joel T.","3-Chloro-2-ethyl-6-nitro-2<i>H</i>-indazole","IUCrData","2017","2","5","x170652","","10.1107/S2414314617006526","","","0.71073","MoKα","","0.0409","0.0361","","","0.1004","0.1028","","","","","","1.131","","","","has coordinates,has Fobs","199277","2020-10-21","18:00:00",""
"1546684","18.2838","0.0013","7.7956","0.0006","11.8081","0.0008","90","","100.393","0.003","90","","1655.4","0.2","150","2","150","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","5-Methyl-4-(3-methyl-1-phenyl-1<i>H</i>-pyrazol-4-yl)-2-phenyl-2,3-dihydro-1<i>H</i>-pyrazol-3-one","","- C20 H18 N4 O -","- C20 H18 N4 O -","- C80 H72 N16 O4 -","4","1","SJ4116","Ghandour, Ismail; Mague, Joel T.; Bouayad, Abdelouahed; Chakroune, Said; Essassi, El Mokhtar; Kandri Rodi, Youssef","5-Methyl-4-(3-methyl-1-phenyl-1<i>H</i>-pyrazol-4-yl)-2-phenyl-2,3-dihydro-1<i>H</i>-pyrazol-3-one","IUCrData","2017","2","6","x170853","","10.1107/S2414314617008537","","","1.54178","CuKα","","0.0381","0.0354","","","0.0906","0.093","","","","","","1.048","","","","has coordinates,has Fobs","199278","2020-10-21","18:00:00",""
"1546685","8.1093","0.0003","9.1624","0.0005","14.6575","0.0007","90","","94.241","0.003","90","","1086.08","0.09","233","2","233","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","1-Allyl-2,3-cyclopentenopyridinium chloride","","- C11 H14 Cl N -","- C11 H14 Cl N -","- C44 H56 Cl4 N4 -","4","1","SJ4107","Partl, Gabriel; Bentivoglio, Gino; Laus, Gerhard; Gelbrich, Thomas; Wurst, Klaus; Huppertz, Hubert; Schottenberger, Herwig","1-Allyl-2,3-cyclopentenopyridinium chloride","IUCrData","2017","2","5","x170669","","10.1107/S2414314617006691","","","0.71073","MoKα","","0.0436","0.0343","","","0.0857","0.0919","","","","","","1.051","","","","has coordinates,has disorder,has Fobs","199279","2020-10-21","18:00:00",""
"1546686","19.6067","0.0006","5.5438","0.0002","14.0069","0.0005","90","","99.911","0.002","90","","1499.77","0.09","150","2","150","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","5,6-Dimethyl-2-[(5-methyl-1,2-oxazol-3-yl)methyl]-1-(prop-2-en-1-yl)-1<i>H</i>-1,3-benzodiazole","","- C17 H19 N3 O -","- C17 H19 N3 O -","- C68 H76 N12 O4 -","4","1","HG4022","Benyahya, Mohamed Ali; El Azzaoui, Brahim; Sebbar, Nada Kheira; Ouzidan, Younes; Essassi, El Mokhtar; Mague, Joel T.","5,6-Dimethyl-2-[(5-methyl-1,2-oxazol-3-yl)methyl]-1-(prop-2-en-1-yl)-1<i>H</i>-1,3-benzodiazole","IUCrData","2017","2","7","x170647","","10.1107/S2414314617006472","","","1.54178","CuKα","","0.0674","0.0465","","","0.1003","0.1112","","","","","","1.052","","","","has coordinates,has Fobs","199280","2020-10-21","18:00:00",""
"1546687","7.133","0.0009","8.1155","0.0011","17.798","0.002","87.747","0.002","81.84","0.002","87.849","0.002","1018.5","0.2","293","2","293","2","","","","","","","","6","P -1","-P 1","2","","(<i>Z</i>)-4-Chloro-<i>N</i>-{3-[(4-chlorophenyl)sulfonyl]-2,3-dihydrobenzo[<i>d</i>]thiazol-2-ylidene}benzenesulfonamide","","- C19 H12 Cl2 N2 O4 S3 -","- C19 H12 Cl2 N2 O4 S3 -","- C38 H24 Cl4 N4 O8 S6 -","2","1","WM4046","Watkins, Sydney M.; Hagen, Timothy J.; Perkins, Timothy S.; Zheng, Chong","(<i>Z</i>)-4-Chloro-<i>N</i>-{3-[(4-chlorophenyl)sulfonyl]-2,3-dihydrobenzo[<i>d</i>]thiazol-2-ylidene}benzenesulfonamide","IUCrData","2017","2","6","x170865","","10.1107/S2414314617008653","","","0.71073","MoKα","","0.0382","0.0361","","","0.0943","0.0959","","","","","","1.04","","","","has coordinates,has Fobs","199281","2020-10-21","18:00:00",""
"1546688","13.1047","0.0016","4.031","0.0004","15.7631","0.0018","90","","105.72","0.004","90","","801.54","0.16","296","2","296","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","3,5-Dibromo-6-methylpyridin-2-amine","","- C6 H6 Br2 N2 -","- C6 H6 Br2 N2 -","- C24 H24 Br8 N8 -","4","1","HB4147","Krishna Murthy, P.; Sreenivasa Rao, R.; Suneetha, V.; Giri, L.; Suchetan, P. A.","3,5-Dibromo-6-methylpyridin-2-amine","IUCrData","2017","2","5","x170728","","10.1107/S2414314617007283","","","0.71073","MoKα","","0.044","0.0381","","","0.1033","0.1083","","","","","","1.089","","","","has coordinates,has Fobs","199282","2020-10-21","18:00:00",""
"1546689","13.463","0.003","3.8694","0.0008","20.377","0.004","90","","101.023","0.003","90","","1041.9","0.4","100","2","100","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","(<i>E</i>)-<i>N</i>-[(Anthracen-9-yl)methylidene]hydroxylamine","","- C15 H11 N O -","- C15 H11 N O -","- C60 H44 N4 O4 -","4","1","SJ4111","Sebhaoui, Jihad; El Bakri, Youness; Essassi, El Mokhtar; Mague, Joel T.","(<i>E</i>)-<i>N</i>-[(Anthracen-9-yl)methylidene]hydroxylamine","IUCrData","2017","2","5","x170684","","10.1107/S2414314617006848","","","0.71073","MoKα","","0.0523","0.0437","","","0.1199","0.1249","","","","","","1.038","","","","has coordinates,has Fobs","199283","2020-10-21","18:00:00",""
"1546690","8.9303","0.0015","15.572","0.003","9.4824","0.0016","90","","117.32","0.008","90","","1171.6","0.4","295","2","295","2","","","","","","","","4","P 1 21 1","P 2yb","4","","4,6-Di-<i>tert</i>-butyl-2-({[4-(diethylamino)phenyl]imino}methyl)phenol","","- C25 H36 N2 O -","- C25 H36 N2 O -","- C50 H72 N4 O2 -","2","1","VM4022","Rani, C. Vidya; Mitu, L.; Chakkaravarthi, G.; Rajagopal, G.","4,6-Di-<i>tert</i>-butyl-2-({[4-(diethylamino)phenyl]imino}methyl)phenol","IUCrData","2017","2","4","x170572","","10.1107/S2414314617005727","","","0.71073","MoKα","","0.083","0.0619","","","0.1678","0.1893","","","","","","1.054","","","","has coordinates,has disorder,has Fobs","199284","2020-10-21","18:00:00",""
"1546691","6.1657","0.0015","7.0875","0.0019","20.883","0.006","90","","90","","90","","912.6","0.4","173","2","173","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","2-Sulfanylidene-1,3-dithiolo[4,5-<i>b</i>]pyrazine-5,6-dicarbonitrile","","- C7 N4 S3 -","- C7 N4 S3 -","- C28 N16 S12 -","4","1","WM4053","Tomura, Masaaki","2-Sulfanylidene-1,3-dithiolo[4,5-<i>b</i>]pyrazine-5,6-dicarbonitrile","IUCrData","2017","2","7","x171023","","10.1107/S2414314617010239","","","0.71073","MoKα","","0.0463","0.0406","","","0.0975","0.103","","","","","","1.114","","","","has coordinates,has Fobs","211179","2020-10-21","18:00:00",""
"1546692","14.9353","0.0005","15.0367","0.0005","19.4231","0.0007","90","","98.13","0.002","90","","4318.2","0.3","100","","100","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","<i>N</i>-[(<i>E</i>)-(3-Methylbenzylidene)amino]-6-(morpholin-4-yl)-2-[2-(pyridin-2-yl)ethoxy]pyrimidin-4-amine","","- C23 H26 N6 O2 -","- C23 H26 N6 O2 -","- C184 H208 N48 O16 -","8","2","ZL4016","Morris, Patrick J.; Moore, Curtis; Thomas, Craig J.","Apilimod","IUCrData","2017","2","5","x170693","","10.1107/S2414314617006939","","","1.54178","CuKα","","0.0442","0.0379","","","0.0983","0.103","","","","","","1.041","","","","has coordinates,has Fobs","199286","2020-10-21","18:00:00",""
"1546693","10.1174","0.0005","19.0567","0.0008","14.0387","0.0007","90","","105.254","0.004","90","","2611.4","0.2","296","2","296","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","Ethyl 2-[9-(5-bromo-2-hydroxyphenyl)-3,3,6,6-tetramethyl-1,8-dioxo-1,2,3,4,5,6,7,8,9,10-decahydroacridin-10-yl]acetate","","- C27 H32 Br N O5 -","- C27 H32 Br N O5 -","- C108 H128 Br4 N4 O20 -","4","1","HB4135","Mohamed, Shaaban K.; Dege, Necmi; Akkurt, Mehmet; Allah, Omyma A. Abd; Albayati, Mustafa R.","Ethyl 2-[9-(5-bromo-2-hydroxyphenyl)-3,3,6,6-tetramethyl-1,8-dioxo-1,2,3,4,5,6,7,8,9,10-decahydroacridin-10-yl]acetate","IUCrData","2017","2","4","x170573","","10.1107/S2414314617005739","","","0.71073","MoKα","","0.087","0.0454","","","0.0922","0.1052","","","","","","0.967","","","","has coordinates,has disorder,has Fobs","199287","2020-10-21","18:00:00",""
"1546694","26.3932","0.0005","26.3932","0.0005","24.827","0.0005","90","","90","","120","","14977.5","0.5","193","2","193","2","","","","","","","","4","R -3 :H","-R 3","148","","1,4,9,12-Tetramethoxy-14-octyl-5,8-dihydrodiindolo[3,2-<i>b</i>;2',3'-<i>h</i>]carbazole","","- C72 H80 N6 O9 -","- C72 H80 N6 O9 -","- C648 H720 N54 O81 -","9","0.5","","Wrobel, Norma; Witulski, Bernhard; Schollmeyer, Dieter; Detert, Heiner","1,4,9,12-Tetramethoxy-14-octyl-5,8-dihydrodiindolo[3,2-<i>b</i>;2',3'-<i>h</i>]carbazole with an unknown solvent","IUCrData","2017","2","3","x170462","","10.1107/S241431461700462X","","","0.71073","MoKα","","0.1707","0.0643","","","0.1765","0.2217","","","","","","0.846","","","","has coordinates,has disorder,has Fobs","199288","2020-10-21","18:00:00",""
"1546695","10.5372","0.0004","10.5372","0.0004","29.971","0.0011","90","","90","","120","","2881.92","0.19","296","2","296","2","","","","","","","","5","P 61","P 61","169","","<i>N</i>-[(1a<i>R</i>,5a<i>R</i>,8<i>R</i>,9a<i>R</i>)-1,1-Dichloro-1a,5,5,7-tetramethyl-1a,2,3,4,5,5a,8,9-octahydro-1<i>H</i>-benzo[<i>a</i>]cyclopropa[<i>b</i>][7]annulen-8-yl]acetamide","","- C18 H27 Cl2 N O -","- C18 H27 Cl2 N O -","- C108 H162 Cl12 N6 O6 -","6","1","","Benharref, Ahmed; El Ammari, Lahcen; Saadi, Mohamed; Taourirte, Moha; Oukhrib, Abdelouahd; Berraho, Moha","<i>N</i>-[(1a<i>R</i>,5a<i>R</i>,8<i>R</i>,9a<i>R</i>)-1,1-Dichloro-1a,5,5,7-tetramethyl-1a,2,3,4,5,5a,8,9-octahydro-1<i>H</i>-benzo[<i>a</i>]cyclopropa[<i>b</i>][7]annulen-8-yl]acetamide","IUCrData","2017","2","4","x170492","","10.1107/S2414314617004928","","","0.71073","MoKα","","0.0464","0.0392","","","0.1016","0.1086","","","","","","1.077","","","","has coordinates,has Fobs","199289","2020-10-21","18:00:00",""
"1546696","9.4118","0.0003","10.8934","0.0004","18.6996","0.0007","101.629","0.001","91.752","0.001","90.351","0.001","1876.83","0.12","150","2","150","2","","","","","","","","4","P -1","-P 1","2","","4-{[5-Methyl-2-(propan-2-yl)phenoxy]methyl}-1-(4-nitrobenzyl)-1<i>H</i>-1,2,3-triazole","","- C20 H22 N4 O3 -","- C20 H22 N4 O3 -","- C80 H88 N16 O12 -","4","2","SJ4099","Sahbi, Azzeddine; Mague, Joel T.; Ben-Tama, Abdeslem; El Hadrami, El Mestafa; El Aroussi, Fatima; Ouzidan, Younes","4-{[5-Methyl-2-(propan-2-yl)phenoxy]methyl}-1-(4-nitrobenzyl)-1<i>H</i>-1,2,3-triazole","IUCrData","2017","2","4","x170516","","10.1107/S2414314617005168","","","1.54178","CuKα","","0.063","0.0492","","","0.1462","0.1969","","","","","","1.064","","","","has coordinates,has Fobs","199290","2020-10-21","18:00:00",""
"1546697","12.9107","0.0007","17.872","0.0008","21.6094","0.0011","90","","95.0374","0.0016","90","","4966.9","0.4","193","2","193","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","Hexaethylguanidinium tetrakis(trimethylsilylethynyl)borate diethyl ether monosolvate","","- C37 H76 B N3 O Si4 -","- C37 H76 B N3 O Si4 -","- C148 H304 B4 N12 O4 Si16 -","4","1","HB4136","Oberparleiter, Stefan; Laus, Gerhard; Gelbrich, Thomas; Wurst, Klaus; Kunze-Liebhäuser, Julia; Schottenberger, Herwig","Hexaethylguanidinium tetrakis(trimethylsilylethynyl)borate diethyl ether monosolvate","IUCrData","2017","2","5","x170724","","10.1107/S2414314617007246","","","0.71073","MoKα","","0.1089","0.0679","","","0.1721","0.1931","","","","","","1.002","","","","has coordinates,has disorder,has Fobs","199291","2020-10-21","18:00:00",""
"1546698","7.7829","0.0003","7.4284","0.0003","21.9087","0.0007","90","","94.399","0.003","90","","1262.91","0.08","173","2","173","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","<i>N</i>'-[Bis(methylsulfanyl)methylidene]-2-methoxybenzohydrazide","","- C11 H14 N2 O2 S2 -","- C11 H14 N2 O2 S2 -","- C44 H56 N8 O8 S8 -","4","1","FF4015","Nath, Paras; Bharty, Manoj K.; Butcher, Ray J.; Jasinski, Jerry P.","<i>N</i>'-[Bis(methylsulfanyl)methylidene]-2-methoxybenzohydrazide","IUCrData","2017","2","4","x170489","","10.1107/S2414314617004898","","","1.54178","CuKα","","0.0486","0.046","","","0.1217","0.1247","","","","","","1.075","","","","has coordinates,has Fobs","199292","2020-10-21","18:00:00",""
"1546699","8.4015","0.0006","9.0041","0.0006","9.1465","0.0007","114.214","0.003","101.275","0.004","90.978","0.003","615.19","0.08","150","2","150","2","","","","","","","","4","P -1","-P 1","2","","1-(Prop-2-en-1-yl)-3-[(prop-2-en-1-yl)oxy]quinoxalin-2(1<i>H</i>)-one","","- C14 H14 N2 O2 -","- C14 H14 N2 O2 -","- C28 H28 N4 O4 -","2","1","SJ4106","El Bourakadi, Khadija; El Bakri, Youness; Sebhaoui, Jihad; Rayni, Ibtissam; Essassi, El Mokhtar; Mague, Joel T.","1-(Prop-2-en-1-yl)-3-[(prop-2-en-1-yl)oxy]quinoxalin-2(1<i>H</i>)-one","IUCrData","2017","2","5","x170656","","10.1107/S2414314617006563","","","1.54178","CuKα","","0.0459","0.0412","","","0.104","0.1122","","","","","","1.063","","","","has coordinates,has Fobs","199293","2020-10-21","18:00:00",""
"1546700","7.2074","0.001","13.1851","0.0015","14.848","0.002","90","","102.505","0.014","90","","1377.5","0.3","295","2","295","2","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","5-Hydroxy-2-phenyl-7-(prop-2-yn-1-yloxy)-4<i>H</i>-chromen-4-one","","- C18 H12 O4 -","- C18 H12 O4 -","- C72 H48 O16 -","4","1","XU4026","Yang, Fan; Li, Yang; Zhou, Shu-Jing","5-Hydroxy-2-phenyl-7-(prop-2-yn-1-yloxy)-4<i>H</i>-chromen-4-one","IUCrData","2017","2","4","x170490","","10.1107/S2414314617004904","","","0.71073","MoKα","","0.0937","0.0469","","","0.0914","0.1109","","","","","","0.978","","","","has coordinates,has Fobs","199296","2020-10-21","18:00:00",""
"1546701","6.767","0.005","6.817","0.005","15.864","0.005","90","","99.391","0.005","90","","722","0.8","293","2","293","2","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","1,4-Bis[(oxan-2-yl)oxy]benzene","","- C16 H22 O4 -","- C16 H22 O4 -","- C32 H44 O8 -","2","0.5","HB4130","Raj, Radhakrishnan Mohan; Lekha, Logu; Viswanathan, Vijayan; Velmurugan, Devadasan; Easwaramoorthy, Deivanayagam","1,4-Bis[(oxan-2-yl)oxy]benzene","IUCrData","2017","2","5","x170717","","10.1107/S2414314617007179","","","0.71073","MoKα","","0.0413","0.0326","","","0.0786","0.084","","","","","","1.094","","","","has coordinates,has Fobs","199297","2020-10-21","18:00:00",""
"1546702","47.514","0.008","7.1015","0.0011","6.1289","0.001","90","","96.037","0.009","90","","2056.5","0.6","100","2","100","2","","","","","","","","4","C 1 c 1","C -2yc","9","","2-{(<i>E</i>)-[(4-Anilinophenyl)imino]methyl}-4-[(<i>E</i>)-(4-methoxyphenyl)diazenyl]phenol","","- C26 H22 N4 O2 -","- C26 H22 N4 O2 -","- C104 H88 N16 O8 -","4","1","SU4134","Faizi, Md. Serajul Haque; Dege, Necmi; Goleva, Kateryna","2-{(<i>E</i>)-[(4-Anilinophenyl)imino]methyl}-4-[(<i>E</i>)-(4-methoxyphenyl)diazenyl]phenol","IUCrData","2017","2","4","x170548","","10.1107/S241431461700548X","","","0.71073","MoKα","","0.0722","0.0426","","","0.0821","0.0919","","","","","","1.005","","","","has coordinates,has Fobs","199298","2020-10-21","18:00:00",""
"1546703","4.8462","0.001","7.8042","0.0016","30.996","0.006","90","","90","","90","","1172.3","0.4","293","2","293","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","4-(2,4,6-Trimethylphenyl)butan-2-one","","- C13 H18 O -","- C13 H18 O -","- C52 H72 O4 -","4","1","","Zhang, Lang-Jing; Kou, Jun-Feng; Liu, Feng-Yi","4-(2,4,6-Trimethylphenyl)butan-2-one","IUCrData","2017","2","5","x170675","","10.1107/S2414314617006757","","","0.71073","MoKα","","0.131","0.0806","","","0.148","0.1684","","","","","","1.085","","","","has coordinates,has Fobs","199299","2020-10-21","18:00:00",""
"1546704","8.7148","0.0009","13.5652","0.0017","14.7832","0.0019","91.562","0.005","96.341","0.004","103.776","0.004","1684.4","0.4","200","2","200","","","","","","","","","4","P -1","-P 1","2","","5,7-Dimethyl-1<i>H</i>-indole-2,3-dione","","- C10 H9 N O2 -","- C10 H9 N O2 -","- C80 H72 N8 O16 -","8","4","HB4133","Perez, Matthew F.; Desikan, Vasumathi; Golen, James A.; Manke, David R.","5,7-Dimethyl-1<i>H</i>-indole-2,3-dione","IUCrData","2017","2","3","x170444","","10.1107/S2414314617004448","","","0.71073","MoKα","","0.0885","0.0626","","","0.1701","0.1886","","","","","","1.103","","","","has coordinates,has Fobs","199300","2020-10-21","18:00:00",""
"1546705","33.2932","0.001","7.9284","0.0002","5.7903","0.0002","90","","90","","90","","1528.42","0.08","100","","100","0.1","","","","","","","","4","P c a 21","P 2c -2ac","29","","Biphenyl-4-yl 4-methylbenzenesulfonate","","- C19 H16 O3 S -","- C19 H16 O3 S -","- C76 H64 O12 S4 -","4","1","BT4056","Olszowy, Aleksandra; Siodłak, Dawid; Zarychta, Bartosz","Biphenyl-4-yl 4-methylbenzenesulfonate","IUCrData","2017","2","7","x170982","","10.1107/S2414314617009828","","","0.71073","MoKα","","0.0315","0.0255","","","0.0557","0.057","","","","","","0.983","","","","has coordinates,has Fobs","199301","2020-10-21","18:00:00",""
"1546706","13.269","0.0006","15.6721","0.0007","7.2136","0.0003","90","","99.029","0.002","90","","1481.5","0.11","296","2","296","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","2-(3-Bromo-5-nitro-1<i>H</i>-indazol-1-yl)-1-phenylethanone","","- C15 H10 Br N3 O3 -","- C15 H10 Br N3 O3 -","- C60 H40 Br4 N12 O12 -","4","1","ZP4013","Boulhaoua, Mohammed; Benchidmi, Mohammed; Essassi, El Mokhtar; Saadi, Mohamed; El Ammari, Lahcen","2-(3-Bromo-5-nitro-1<i>H</i>-indazol-1-yl)-1-phenylethanone","IUCrData","2017","2","4","x170559","","10.1107/S2414314617005594","","","0.71073","MoKα","","0.0602","0.0378","","","0.0923","0.1023","","","","","","1.046","","","","has coordinates,has Fobs","199302","2020-10-21","18:00:00",""
"1546707","22.1001","0.0008","6.7624","0.0002","24.5714","0.0007","90","","104.835","0.003","90","","3549.8","0.2","100","2","100","2","","","","","","","","4","I 1 2/a 1","-I 2ya","15","","(<i>E</i>)-2-Phenyl-4-styryl-2,3-dihydro-1<i>H</i>-1,5-benzodiazepine hemihydrate","","- C23 H21 N2 O0.5 -","- C23 H21 N2 O0.5 -","- C184 H168 N16 O4 -","8","1","","Loughzail, Mohamed; Adardour, Mohamed; Dahaoui, Slimane; Baouid, Abdesselam","(<i>E</i>)-2-Phenyl-4-styryl-2,3-dihydro-1<i>H</i>-1,5-benzodiazepine hemihydrate","IUCrData","2017","2","7","x171070","","10.1107/S2414314617010707","","","1.54184","CuKα","","0.0741","0.0579","","","0.1538","0.1718","","","","","","1.07","","","","has coordinates,has Fobs","199303","2020-10-21","18:00:00",""
"1546708","25.6622","0.0008","8.7731","0.0003","10.3928","0.0003","90","","101.847","0.001","90","","2289.96","0.13","150","2","150","2","","","","","","","","4","C 1 2 1","C 2y","5","","1-[(1-{[(1<i>S</i>,2<i>R</i>,6<i>R</i>,8<i>R</i>,9<i>S</i>)-4,4,11,11-Tetramethyl-3,5,7,10,12-pentaoxatricyclo[7.3.0.0^2,6^]dodecan-8-yl]methyl}-1<i>H</i>-1,2,3-triazol-4-yl)methyl]-2,3-dihydro-1<i>H</i>-indole-2,3-dione","","- C23 H26 N4 O7 -","- C23 H26 N4 O7 -","- C92 H104 N16 O28 -","4","1","BT4048","Qachchachi, Fatima-Zahrae; Mague, Joel T.; Kandri Rodi, Youssef; Haoudi, Amal; Ben-Tama, Abdeslem; Essassi, El Mokhtar","1-[(1-{[(1<i>S</i>,2<i>R</i>,6<i>R</i>,8<i>R</i>,9<i>S</i>)-4,4,11,11-Tetramethyl-3,5,7,10,12-pentaoxatricyclo[7.3.0.0^2,6^]dodecan-8-yl]methyl}-1<i>H</i>-1,2,3-triazol-4-yl)methyl]-2,3-dihydro-1<i>H</i>-indole-2,3-dione","IUCrData","2017","2","5","x170670","","10.1107/S2414314617006708","","","1.54178","CuKα","","0.0257","0.0249","","","0.0634","0.0641","","","","","","1.024","","","","has coordinates,has Fobs","199304","2020-10-21","18:00:00",""
"1546709","8.7749","0.0007","9.9403","0.0007","10.4475","0.0008","76.03","0.006","66.511","0.007","85.843","0.006","810.76","0.12","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","4-Benzyl-6-bromo-2-(4-chlorophenyl)-4<i>H</i>-imidazo[4,5-<i>b</i>]pyridine","","- C19 H13 Br Cl N3 -","- C19 H13 Br Cl N3 -","- C38 H26 Br2 Cl2 N6 -","2","1","VM4023","Bourichi, Selma; Kandri Rodi, Youssef; Jasinski, Jerry P.; Kaur, Manpreet; Ouzidan, Younes; Essassi, El Mokhtar","4-Benzyl-6-bromo-2-(4-chlorophenyl)-4<i>H</i>-imidazo[4,5-<i>b</i>]pyridine","IUCrData","2017","2","6","x170899","","10.1107/S2414314617008999","","","1.54184","CuKα","","0.0517","0.0443","","","0.1162","0.1244","","","","","","1.04","","","","has coordinates,has Fobs","199305","2020-10-21","18:00:00",""
"1546710","17.9752","0.0008","17.4403","0.0008","9.2472","0.0004","90","","102.892","0.001","90","","2825.9","0.2","298","2","298","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","2-(2-Oxo-4-phenyl-2,3-dihydro-1<i>H</i>-1,5-benzodiazepin-1-yl)acetic acid","","- C17 H14 N2 O3 -","- C17 H14 N2 O3 -","- C136 H112 N16 O24 -","8","2","BV4007","Essaghouani, Abdelhanine; Boulhaoua, Mohammed; El Hafi, Mohamed; Benchidmi, Mohammed; Essassi, El Mokhtar; Mague, Joel T.","2-(2-Oxo-4-phenyl-2,3-dihydro-1<i>H</i>-1,5-benzodiazepin-1-yl)acetic acid","IUCrData","2017","2","1","x170120","","10.1107/S2414314617001201","","","0.71073","MoKα","","0.0624","0.0478","","","0.1353","0.1455","","","","","","1.109","","","","has coordinates,has Fobs","199306","2020-10-21","18:00:00",""
"1546711","7.37174","0.00013","12.5726","0.0003","26.4454","0.0005","90","","90","","90","","2451.01","0.09","93","","93","","","","","","","","","6","P b c a","-P 2ac 2ab","61","","2-(Pyridin-2-yl)pyridinium trifluoromethanesulfonate","","- C11 H9 F3 N2 O3 S -","- C11 H9 F3 N2 O3 S -","- C88 H72 F24 N16 O24 S8 -","8","1","","Abe, Ryosuke; Takase, Tsugiko; Oyama, Dai","2-(Pyridin-2-yl)pyridinium trifluoromethanesulfonate","IUCrData","2017","2","5","x170689","","10.1107/S2414314617006897","","","0.71075","MoKα","","","0.0284","","","","0.0772","","","","","","1.036","","","","has coordinates,has Fobs","199307","2020-10-21","18:00:00",""
"1546712","13.9863","0.0005","7.8783","0.0003","18.5549","0.0007","90","","100.786","0.001","90","","2008.41","0.13","100","2","100","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","1-(3-Bromo-6-nitro-1<i>H</i>-indazol-1-yl)ethan-1-one","","- C9 H6 Br N3 O3 -","- C9 H6 Br N3 O3 -","- C72 H48 Br8 N24 O24 -","8","2","FF4017","Mohamed Abdelahi, Mohamed Mokhtar; El Bakri, Youness; Minnih, Mohamed Said; Benchidmi, Mohammed; Essassi, El Mokhtar; Mague, Joel T.","1-(3-Bromo-6-nitro-1<i>H</i>-indazol-1-yl)ethan-1-one","IUCrData","2017","2","5","x170660","","10.1107/S2414314617006605","","","0.71073","MoKα","","0.03","0.0233","","","0.0598","0.0615","","","","","","1.087","","","","has coordinates,has Fobs","199308","2020-10-21","18:00:00",""
"1546713","11.3277","0.0003","12.3257","0.0003","15.5274","0.0004","112.59","0.0006","90.7806","0.0007","92.9221","0.0007","1997.74","0.09","150","2","150","2","","","","","","","","4","P -1","-P 1","2","","1,1'-(Diphosphene-1,2-diyl)bis(2,2,6,6-tetramethylpiperidine)","","- C18 H36 N2 P2 -","- C18 H36 N2 P2 -","- C72 H144 N8 P8 -","4","2","RZ4017","Höhne, Martha; Spannenberg, Anke; Müller, Bernd H.; Rosenthal, Uwe","1,1'-(Diphosphene-1,2-diyl)bis(2,2,6,6-tetramethylpiperidine)","IUCrData","2017","2","6","x170903","","10.1107/S2414314617009038","","","0.71073","MoKα","","0.0481","0.035","","","0.0874","0.0949","","","","","","1.034","","","","has coordinates,has Fobs","199309","2020-10-21","18:00:00",""
"1546714","6.0108","0.0005","7.9243","0.0006","19.8388","0.0016","90","","94.271","0.004","90","","942.33","0.13","296","2","296","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","(2<i>E</i>)-3-Phenylprop-2-en-1-yl thiocyanate","","- C10 H9 N S -","- C10 H9 N S -","- C40 H36 N4 S4 -","4","1","HB4134","Khan, Ezzat; Shahzad, Adnan; Tahir, M. Nawaz; Ateeq, Muhammad","(2<i>E</i>)-3-Phenylprop-2-en-1-yl thiocyanate","IUCrData","2017","2","4","x170549","","10.1107/S2414314617005491","","","0.71073","MoKα","","0.063","0.0426","","","0.1007","0.112","","","","","","1.047","","","","has coordinates,has Fobs","199310","2020-10-21","18:00:00",""
"1546715","13.3937","0.0008","8.9106","0.0004","13.394","0.0007","90","","99.765","0.005","90","","1575.36","0.15","293","2","293","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","(<i>Z</i>)-2-(2-Chlorobenzylidene)-4-(prop-2-ynyl)-2<i>H</i>-1,4-benzothiazin-3(4<i>H</i>)-one","","- C18 H12 Cl N O S -","- C18 H12 Cl N O S -","- C72 H48 Cl4 N4 O4 S4 -","4","1","SJ4119","Sebbar, Nada Kheira; Ellouz, Mohamed; Ouzidan, Younes; Kaur, Manpreet; Essassi, El Mokhtar; Jasinski, Jerry P.","(<i>Z</i>)-2-(2-Chlorobenzylidene)-4-(prop-2-ynyl)-2<i>H</i>-1,4-benzothiazin-3(4<i>H</i>)-one","IUCrData","2017","2","6","x170889","","10.1107/S2414314617008896","","","1.54184","CuKα","","0.0579","0.0488","","","0.1303","0.1376","","","","","","1.025","","","","has coordinates,has Fobs","199311","2020-10-21","18:00:00",""
"1546716","7.8066","0.0002","8.9238","0.0002","11.9303","0.0003","106.583","0.002","94.701","0.002","111.358","0.002","725.58","0.04","100","","100","0.1","","","","","","","","4","P -1","-P 1","2","","3,5-Dimethoxyphenyl 4-methylbenzenesulfonate","","- C15 H16 O5 S -","- C15 H16 O5 S -","- C30 H32 O10 S2 -","2","1","BT4054","Olszowy, Aleksandra; Siodłak, Dawid; Zarychta, Bartosz","3,5-Dimethoxyphenyl 4-methylbenzenesulfonate","IUCrData","2017","2","7","x170980","","10.1107/S2414314617009804","","","0.71073","MoKα","","0.0366","0.0286","","","0.0749","0.0768","","","","","","1.051","","","","has coordinates,has Fobs","199312","2020-10-21","18:00:00",""
"1546717","9.894","0.0003","10.1125","0.0002","24.8655","0.0007","90","","95.096","0.001","90","","2478.04","0.11","296","2","296","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","Dibenzyl({1-[(4-methyl-2-phenyl-4,5-dihydro-1,3-oxazol-4-yl)methyl]-1<i>H</i>-1,2,3-triazol-4-yl}methyl)amine","","- C28 H29 N5 O -","- C28 H29 N5 O -","- C112 H116 N20 O4 -","4","1","SJ4117","Boukhssas, Salaheddine; Aouine, Younas; Faraj, Hassane; Alami, Anouar; El Hallaoui, Abdelilah; Zouihri, Hafid","Dibenzyl({1-[(4-methyl-2-phenyl-4,5-dihydro-1,3-oxazol-4-yl)methyl]-1<i>H</i>-1,2,3-triazol-4-yl}methyl)amine","IUCrData","2017","2","6","x170860","","10.1107/S2414314617008604","","","0.71073","MoKα","","0.0439","0.0364","","","0.0979","0.1016","","","","","","1.059","","","","has coordinates,has Fobs","199313","2020-10-21","18:00:00",""
"1546718","15.6744","0.0012","6.9475","0.0005","11.988","0.0008","90","","90","","90","","1305.47","0.16","173","2","173","2","","","","","","","","4","P n m a","-P 2ac 2n","62","","2-Isopropyl-4,7-dimethyl-1-nitronaphthalene","","- C15 H17 N O2 -","- C15 H17 N O2 -","- C60 H68 N4 O8 -","4","0.5","","Benharref, Ahmed; El Ammari, Lahcen; Saadi, Mohamed; Mazoir, Noureddine; Daran, Jean-Claude; Berraho, Moha","2-Isopropyl-4,7-dimethyl-1-nitronaphthalene","IUCrData","2017","2","4","x170584","","10.1107/S2414314617005843","","","0.71073","MoKα","","0.0468","0.0401","","","0.1033","0.11","","","","","","1.063","","","","has coordinates,has Fobs","199314","2020-10-21","18:00:00",""
"1546719","11.946","0.0001","13.218","0.0002","17.434","0.0002","109.348","0.001","96.35","0.001","98.881","0.002","2527.33","0.06","295","2","295","2","","","","","","","","5","P -1","-P 1","2","","Bis(4,6-di-<i>tert</i>-butyl-2-{<i>N</i>-[4-(diethylamino)phenyl]carboximidoyl}phenolato)cobalt(II)","","- C50 H70 Co N4 O2 -","- C50 H70 Co N4 O2 -","- C100 H140 Co2 N8 O4 -","2","1","RZ4015","Rani, C.Vidya; Mitu, L.; Chakkaravarthi, G.; Rajagopal, G.","Bis(4,6-di-tert-butyl-2-{N-[4-(diethylamino)phenyl]carboximidoyl}phenolato)cobalt(II)","IUCrData","2017","2","6","","","10.1107/S2414314617007842","","","0.71073","MoKα","","0.0692","0.0492","","","0.1375","0.1464","","","","","","1.116","","","","has coordinates,has disorder,has Fobs","199315","2020-10-21","18:00:00",""
"1546720","12.2269","0.0004","6.7034","0.0003","14.0817","0.0005","90","","90","","90","","1154.16","0.08","293","2","293","2","","","","","","","","4","P n m a","-P 2ac 2n","62","","Ethyl 1-methyl-2-oxo-1,2-dihydroquinoline-4-carboxylate","","- C13 H13 N O3 -","- C13 H13 N O3 -","- C52 H52 N4 O12 -","4","0.5","SJ4124","Filali Baba, Yassir; Kandri Rodi, Youssef; Hayani, Sonia; Jasinski, Jerry P.; Kaur, Manpreet; Essassi, El Mokhtar","Ethyl 1-methyl-2-oxo-1,2-dihydroquinoline-4-carboxylate","IUCrData","2017","2","6","x170917","","10.1107/S2414314617009178","","","1.54184","CuKα","","0.0503","0.0419","","","0.1125","0.1189","","","","","","1.053","","","","has coordinates,has disorder,has Fobs","199316","2020-10-21","18:00:00",""
"1546721","8.5041","0.0005","8.6959","0.0005","12.5024","0.0008","71.002","0.001","88.165","0.001","72.572","0.001","831.87","0.09","100","2","100","2","","","","","","","","4","P -1","-P 1","2","","Ethyl 2-(2,5-dioxo-4,4-diphenylimidazolidin-1-yl)acetate","","- C19 H18 N2 O4 -","- C19 H18 N2 O4 -","- C38 H36 N4 O8 -","2","1","SJ4081","Ramli, Youssef; Akrad, Rachida; Guerrab, Walid; Taoufik, Jamal; Ansar, Mhamed; Mague, Joel T.","Ethyl 2-(2,5-dioxo-4,4-diphenylimidazolidin-1-yl)acetate","IUCrData","2017","2","1","x170098","","10.1107/S2414314617000980","","","0.71073","MoKα","","0.0679","0.0467","","","0.1145","0.1302","","","","","","1.057","","","","has coordinates,has Fobs","199317","2020-10-21","18:00:00",""
"1546722","14.201","0.003","7.3285","0.0012","12.974","0.004","90","","105.89","0.02","90","","1298.6","0.5","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","4-Chloro-2-nitro-1-(2-phenylethyl)benzene","","- C14 H12 Cl N O2 -","- C14 H12 Cl N O2 -","- C56 H48 Cl4 N4 O8 -","4","1","HB4131","Manjunath, N. K.; Nabil Najib, A. A.; Nagendra, P.; Siddaraju, B. P; Swamy, M. T.; Byrappa, K.; Madan Kumar, S.","4-Chloro-2-nitro-1-(2-phenylethyl)benzene","IUCrData","2017","2","4","x170547","","10.1107/S2414314617005478","","","0.71073","MoKα","","0.124","0.0698","","","0.1766","0.2198","","","","","","1.036","","","","has coordinates,has disorder,has Fobs","199318","2020-10-21","18:00:00",""
"1546723","7.5018","0.0003","7.6661","0.0003","21.4332","0.0009","93.743","0.001","94.776","0.001","106.197","0.001","1174.52","0.08","293","2","293","2","","","","","","","","4","P -1","-P 1","2","","6-Amino-3,4-dimethyl-1,2,4-triazin-1-ium 2-anilinobenzoate‒3-amino-5,6-dimethyl-1,2,4-triazine (1/1)","","- C23 H27 N9 O2 -","- C23 H27 N9 O2 -","- C46 H54 N18 O4 -","2","1","SU4153","Sangeetha, Ramalingam; Balasubramani, Kasthuri; Thanigaimani, Kaliyaperumal; Razak, Ibrahim Abdul","6-Amino-3,4-dimethyl-1,2,4-triazin-1-ium 2-anilinobenzoate‒3-amino-5,6-dimethyl-1,2,4-triazine (1/1)","IUCrData","2017","2","6","x170829","","10.1107/S241431461700829X","","","0.71073","MoKα","","0.0628","0.0452","","","0.1222","0.1329","","","","","","1.044","","","","has coordinates,has Fobs","199319","2020-10-21","18:00:00",""
"1546724","13.267","0.007","5.105","0.0018","18.866","0.009","90","","109.67","0.02","90","","1203.2","1","173","2","173","","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","2-(4-Chlorophenyl)-3-hydroxy-4<i>H</i>-chromen-4-one","","- C15 H9 Cl O3 -","- C15 H9 Cl O3 -","- C60 H36 Cl4 O12 -","4","1","ZL4017","Zingales, Sarah; Padgett, Clifford","2-(4-Chlorophenyl)-3-hydroxy-4<i>H</i>-chromen-4-one","IUCrData","2017","2","7","x170996","","10.1107/S2414314617009968","","","0.71073","MoKα","","0.103","0.0593","","","0.1258","0.1482","","","","","","1.031","","","","has coordinates","199320","2020-10-21","18:00:00",""
"1546725","9.4087","0.0005","15.5422","0.0007","14.6143","0.0007","90","","91.077","0.001","90","","2136.7","0.18","293","2","293","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","Methyl (6<i>R</i>*,6a<i>R</i>*,12b<i>R</i>*)-2,4-dimethyl-6-(2-methylphenyl)-1,3-dioxo-2,3,4,6a,7,12b-hexahydro-1<i>H</i>,6<i>H</i>-chromeno[4',3':4,5]pyrano[2,3-<i>d</i>]pyrimidine-6a-carboxylate","","- C25 H24 N2 O6 -","- C25 H24 N2 O6 -","- C100 H96 N8 O24 -","4","1","","Gomathi, S.; Dravida Thendral, Era; Sivakumar, G.; Sabari, V.; Usha, G.","Methyl (6<i>R</i>*,6a<i>R</i>*,12b<i>R</i>*)-2,4-dimethyl-6-(2-methylphenyl)-1,3-dioxo-2,3,4,6a,7,12b-hexahydro-1<i>H</i>,6<i>H</i>-chromeno[4',3':4,5]pyrano[2,3-<i>d</i>]pyrimidine-6a-carboxylate","IUCrData","2017","2","6","x170812","","10.1107/S2414314617008124","","","0.71073","MoKα","","0.0659","0.0482","","","0.1315","0.1463","","","","","","1.052","","","","has coordinates,has Fobs","199321","2020-10-21","18:00:00",""
"1546726","6.8521","0.0004","23.1503","0.0013","15.0422","0.0008","90","","99.365","0.001","90","","2354.3","0.2","173","2","173","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","3-(2-Hydroxy-4-methoxyphenyl)-<i>N</i>-(2-methoxyphenyl)-5-(naphthalen-1-yl)-4,5-dihydro-1<i>H</i>-pyrazole-1-carbothioamide","","- C28 H25 N3 O3 S -","- C28 H25 N3 O3 S -","- C112 H100 N12 O12 S4 -","4","1","HB4146","Ahn, Seunghyun; Lim, Yoongho; Sung, Jiha; Koh, Dongsoo","3-(2-Hydroxy-4-methoxyphenyl)-<i>N</i>-(2-methoxyphenyl)-5-(naphthalen-1-yl)-4,5-dihydro-1<i>H</i>-pyrazole-1-carbothioamide","IUCrData","2017","2","5","x170732","","10.1107/S2414314617007325","","","0.71073","MoKα","","0.0988","0.0479","","","0.117","0.1465","","","","","","0.959","","","","has coordinates,has Fobs","199322","2020-10-21","18:00:00",""
"1546727","11.5598","0.0003","13.3787","0.0004","17.3035","0.0005","111.756","0.001","96.694","0.002","98.293","0.001","2417.01","0.12","295","2","295","2","","","","","","","","5","P -1","-P 1","2","Bis{<i>N</i>-[(4-dimethylamino)phenyl]-3,5-di-<i>tert</i>-butylsalicylaldiminato}cobalt(II)","Bis(2,4-di-<i>tert</i>-butyl-6-{<i>N</i>-[4-(dimethylamino)phenyl]\ carboximidoyl}phenolato)cobalt(II)","","- C46 H62 Co N4 O2 -","- C46 H62 Co N4 O2 -","- C92 H124 Co2 N8 O4 -","2","1","RZ4012","Rani, C. Vidya; Mitu, L.; Chakkaravarthi, G.; Rajagopal, G.","Bis{3,5-di-<i>tert</i>-butyl-<i>N</i>-[(4-dimethylamino)phenyl]salicylaldiminato}cobalt(II)","IUCrData","2017","2","4","x170525","","10.1107/S2414314617005259","","","0.71073","MoKα","","0.0878","0.0578","","","0.1634","0.175","","","","","","1.066","","","","has coordinates,has disorder,has Fobs","199323","2020-10-21","18:00:00",""
"1546728","14.152","0.002","9.8983","0.0016","15.9939","0.0019","90","","90","","90","","2240.4","0.5","173","2","173","2","","","","","","","","4","P n a 21","P 2c -2n","33","MeN(CH~2~CMe~2~OH)~2~","1-[(2-Hydroxy-2-methylpropyl)methylamino]-2-methylpropan-2-ol","","- C9 H21 N O2 -","- C9 H21 N O2 -","- C72 H168 N8 O16 -","8","2","BT4050","Lutter, Michael; Gock, Vinusuya; Jurkschat, Klaus","The amino alcohol MeN(CH~2~CMe~2~OH)~2~","IUCrData","2017","2","6","x170799","","10.1107/S2414314617007994","","","0.71073","MoKα","","0.1212","0.0391","","","0.0413","0.045","","","","","","0.8","","","","has coordinates,has Fobs","199324","2020-10-21","18:00:00",""
"1546729","14.5077","0.001","7.9149","0.0004","14.8297","0.0008","90","","106.803","0.007","90","","1630.15","0.18","293","2","293","2","","","","","","","","4","P 1 21 1","P 2yb","4","","(1<i>R</i>,2<i>R</i>,7<i>S</i>,8<i>R</i>,9<i>R</i>)-<i>N</i>-(2-Hydroxy-2,6,6,9-tetramethyl-12-oxatricyclo[7.2.1.0^1,7^]dodecan-8-yl)acetamide","","- C17 H29 N O3 -","- C17 H29 N O3 -","- C68 H116 N4 O12 -","4","2","","Benharref, Amed; Ait Elhad, Mustapha; Mazoir, Noureddine; Daran, Jean-Claude; Oukhrib, Abdelouahd; Berraho, Moha","(1<i>R</i>,2<i>R</i>,7<i>S</i>,8<i>R</i>,9<i>R</i>)-<i>N</i>-(2-Hydroxy-2,6,6,9-tetramethyl-12-oxatricyclo[7.2.1.0^1,7^]dodecan-8-yl)acetamide","IUCrData","2017","2","7","x170970","","10.1107/S2414314617009701","","","0.71073","MoKα","","0.0938","0.0552","","","0.1022","0.1145","","","","","","0.99","","","","has coordinates,has Fobs","199325","2020-10-21","18:00:00",""
"1546730","7.425","0.001","9.952","0.002","24.359","0.004","85.076","0.005","83.431","0.005","88.72","0.005","1781.4","0.5","193","2","193","2","","","","","","","","5","P -1","-P 1","2","","3-(1<i>H</i>,1<i>H</i>,2<i>H</i>,2<i>H</i>-Perfluorooctyl)-1-vinyl-4-imidazoline-2-thione","","- C13 H9 F13 N2 S -","- C13 H9 F13 N2 S -","- C52 H36 F52 N8 S4 -","4","2","SJ4108","Partl, Gabriel; Laus, Gerhard; Gelbrich, Thomas; Wurst, Klaus; Huppertz, Hubert; Schottenberger, Herwig","3-(1<i>H</i>,1<i>H</i>,2<i>H</i>,2<i>H</i>-Perfluorooctyl)-1-vinyl-4-imidazoline-2-thione","IUCrData","2017","2","5","x170648","","10.1107/S2414314617006484","","","0.71073","MoKα","","0.0885","0.0665","","","0.1609","0.1759","","","","","","0.988","","","","has coordinates,has disorder,has Fobs","199326","2020-10-21","18:00:00",""
"1546731","6.1921","0.0008","9.9443","0.0013","10.3761","0.0012","114.71","0.009","102.121","0.01","92.239","0.011","561.66","0.13","200","2","200","2","","","","","","","","5","P -1","-P 1","2","","Di-μ-chlorido-bis[bis(tetrahydrothiophene-κ<i>S</i>)silver(I)]","","- C16 H32 Ag2 Cl2 S4 -","- C16 H32 Ag2 Cl2 S4 -","- C16 H32 Ag2 Cl2 S4 -","1","0.5","BT4051","Liebing, Phil","Di-μ-chlorido-bis[bis(tetrahydrothiophene-κ<i>S</i>)silver(I)]","IUCrData","2017","2","6","x170921","","10.1107/S241431461700921X","","","0.71073","MoKα","","0.0694","0.05","","","0.1208","0.1251","","","","","","0.875","","","","has coordinates,has Fobs","199327","2020-10-21","18:00:00",""
"1546732","12.2974","0.0004","13.7295","0.0004","14.8952","0.0005","90","","90","","90","","2514.86","0.14","100","2","100","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","(2<i>E</i>)-<i>N</i>-Methyl-2-[1-(4-methylcyclohex-3-en-1-yl)ethylidene]hydrazinecarbothioamide","","- C11 H19 N3 S -","- C11 H19 N3 S -","- C88 H152 N24 S8 -","8","2","SJ4102","Fawzi, Mourad; Auhmani, Aziz; Ait Itto, Moulay Youssef; Riahi, Abdelkhalek; Chevreux, Sylviane; Ketatni, El Mostafa","(2<i>E</i>)-<i>N</i>-Methyl-2-[1-(4-methylcyclohex-3-en-1-yl)ethylidene]hydrazinecarbothioamide","IUCrData","2017","2","4","x170513","","10.1107/S2414314617005132","","","1.54178","CuKα","","0.0286","0.0278","","","0.0696","0.0703","","","","","","1.042","","","","has coordinates,has disorder,has Fobs","199328","2020-10-21","18:00:00",""
"1546733","2.97545","","2.97545","","26.88393","","90","","90","","120","","206.124","","","","","","","","","","","","","2","R -3 m","-R 3 2""","166","","Silver aluminum (0.5/0.5)","","- Ag Al -","- Ag0.5 Al0.5 -","- Ag6 Al6 -","12","","","Zhang, Zezhong; Bourgeois, Laure; Rosalie, Julian M.; Medhekar, Nikhil V.","The bi-layered precipitate phase ζ in the Al-Ag alloy system","Acta Materialia","2017","132","","525","","10.1016/j.actamat.2017.04.061","","","","","","","","","","","","","","","","","","","","","has coordinates","199331","2020-10-21","18:00:00",""
"1546734","10.1719","0.0008","17.7909","0.0014","11.0986","0.0009","90","","110.562","0.003","90","","1880.5","0.3","120","2","120","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C18 H19 F6 N2 O P -","- C18 H19 F6 N2 O P -","- C72 H76 F24 N8 O4 P4 -","4","1","","Zhu, Haoxuan; Janusson, Eric; Luo, Jingwei; Piers, James; Islam, Farhana; McGarvey, Bryce; Oliver, Allen Grayson; Granot, Ori; McIndoe, Jason Scott","Phenol-selective mass spectrometric analysis of jet fuel","The Analyst","2017","","","","","10.1039/C7AN00908A","","","0.71073","MoKα","","0.0882","0.0555","","","0.1341","0.1521","","","","","","1.038","","","","has coordinates","199348","2020-10-21","18:00:00",""
"1546735","8.3093","0.0006","10.675","0.0008","16.8309","0.0013","90","","90","","90","","1492.93","0.19","120","2","120","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C12 H14 Br F6 N2 P -","- C12 H14 Br F6 N2 P -","- C48 H56 Br4 F24 N8 P4 -","4","1","","Zhu, Haoxuan; Janusson, Eric; Luo, Jingwei; Piers, James; Islam, Farhana; McGarvey, Bryce; Oliver, Allen Grayson; Granot, Ori; McIndoe, Jason Scott","Phenol-selective mass spectrometric analysis of jet fuel","The Analyst","2017","","","","","10.1039/C7AN00908A","","","0.71073","MoKα","","0.0255","0.0221","","","0.0505","0.0516","","","","","","1.036","","","","has coordinates","199348","2020-10-21","18:00:00",""
"1546736","6.9455","0.0013","8.1993","0.0014","13.825","0.002","97.886","0.007","97.939","0.008","109.479","0.008","720.8","0.2","150","2","150","2","","","","","","","synthesis as described","6","P -1","-P 1","2","","","","- C13 H11 Br N2 O3 S -","- C13 H11 Br N2 O3 S -","- C26 H22 Br2 N4 O6 S2 -","2","1","","Aubert, Emmanuel; Espinosa, Enrique; Nicolas, Irène; Jeannin, Olivier; Fourmigué, Marc","Toward a reverse hierarchy of halogen bonding between bromine and iodine","Faraday Discuss.","2017","","","","","10.1039/C7FD00067G","","x-ray","0.71073","MoKα","","0.0328","0.0261","","","0.0661","0.0694","","","","","","1.062","","","","has coordinates","199364","2020-10-21","18:00:00",""
"1546737","7.2107","0.0003","8.5679","0.0004","12.2391","0.0005","86.641","0.002","79.084","0.002","87.121","0.002","740.59","0.06","150","2","150","2","","","","","","","synthesis as described","6","P -1","-P 1","2","","","","- C14 H14 Br N3 O3 S -","- C14 H14 Br N3 O3 S -","- C28 H28 Br2 N6 O6 S2 -","2","1","","Aubert, Emmanuel; Espinosa, Enrique; Nicolas, Irène; Jeannin, Olivier; Fourmigué, Marc","Toward a reverse hierarchy of halogen bonding between bromine and iodine","Faraday Discuss.","2017","","","","","10.1039/C7FD00067G","","x-ray","0.71073","MoKα","","0.0388","0.0346","","","0.0939","0.0957","","","","","","1.078","","","","has coordinates","199364","2020-10-21","18:00:00",""
"1546738","14.1074","0.0002","5.8267","0.0001","17.4282","0.0002","90","","112.703","0.002","90","","1321.59","0.04","291","2","291","2","","","","","","","","3","P 1 21 1","P 2yb","4","","","","- C29 H44 O3 -","- C29 H44 O3 -","- C58 H88 O6 -","2","1","","Hou, Ji-Qin; Guo, Cui; Zhao, Jian-Juan; Dong, Yang-Yang; Hu, Xiao-Long; He, Qi-Wei; Zhang, Bao-Bao; Yan, Ming; Wang, Hao","Anti-inflammatory Meroterpenoids from Baeckea frutescens.","Journal of natural products","2017","80","8","2204","2214","10.1021/acs.jnatprod.7b00042","","","1.54184","CuKα","","0.0316","0.0312","","","0.0894","0.0899","","","","","","1.04","","","","has coordinates","200675","2020-10-21","18:00:00",""
"1546739","3.7592","0.0009","6.7317","0.0013","25.29","0.005","90","","93.106","0.014","90","","639","0.2","100","","100","","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","5-Methylpyrazine-2-carboxamide","","- C6 H7 N3 O -","- C6 H7 N3 O -","- C24 H28 N12 O4 -","4","1","SU4158","Rillema, D. Paul; Senaratne, Nilmini K.; Moore, Curtis; KomReddy, Venugopal","5-Methylpyrazine-2-carboxamide","IUCrData","2017","2","7","x171090","","10.1107/S2414314617010902","","","0.71073","MoKα","","0.0713","0.0425","","","0.0922","0.1041","","","","","","1.032","","","","has coordinates,has Fobs","199410","2020-10-21","18:00:00",""
"1546740","6.9549","0.0005","11.6778","0.0009","12.2165","0.0009","90","","90","","90","","992.2","0.13","298","2","298","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","5-Nitro-1-(prop-2-en-1-yl)-1<i>H</i>-indazole","","- C10 H9 N3 O2 -","- C10 H9 N3 O2 -","- C40 H36 N12 O8 -","4","1","BH4025","Boulhaoua, Mohammed; Essaghouani, Abdelhanine; Lahmidi, Sanae; Benchidmi, Mohammed; Essassi, El Mokhtar; Mague, Joel T.","5-Nitro-1-(prop-2-en-1-yl)-1<i>H</i>-indazole","IUCrData","2017","2","7","x171091","","10.1107/S2414314617010914","","","1.54178","CuKα","","0.0365","0.0344","","","0.0954","0.0984","","","","","","1.054","","","","has coordinates,has disorder,has Fobs","199411","2020-10-21","18:00:00",""
"1546741","9.2078","0.00013","10.49143","0.00018","16.4278","0.0003","90","","96.1345","0.0014","90","","1577.89","0.05","193","2","193","2","","","","","","","","7","P 1 2/c 1","-P 2yc","13","","","","- C28 H38 F6 N6 O4 P Ru -","- C28 H38 F6 N6 O4 P Ru -","- C56 H76 F12 N12 O8 P2 Ru2 -","2","0.5","","Li, Cai; Ip, Kwok-Wa; Man, Wai-Lun; Song, Dan; He, Ming-Liang; Yiu, Shek-Man; Lau, Tai-Chu; ZHU, Guangyu","Cytotoxic (Salen)ruthenium(III) Anticancer Complexes Exhibit Different Modes of Cell Death Directed by Axial Ligands","Chem. Sci.","2017","","","","","10.1039/C7SC02205K","","","1.54178","CuKα","","0.0381","0.0377","","","0.1008","0.1012","","","","","","1.042","","","","has coordinates,has disorder","199416","2020-10-21","18:00:00",""
"1546742","14.1727","0.0004","16.5751","0.0004","14.5768","0.0004","90","","110.762","0.003","90","","3201.92","0.16","173","2","173","2","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C26 H40 F6 N8 O3 P Ru -","- C26 H40 F6 N8 O3 P Ru -","- C104 H160 F24 N32 O12 P4 Ru4 -","4","1","","Li, Cai; Ip, Kwok-Wa; Man, Wai-Lun; Song, Dan; He, Ming-Liang; Yiu, Shek-Man; Lau, Tai-Chu; ZHU, Guangyu","Cytotoxic (Salen)ruthenium(III) Anticancer Complexes Exhibit Different Modes of Cell Death Directed by Axial Ligands","Chem. Sci.","2017","","","","","10.1039/C7SC02205K","","","1.54178","CuKα","","0.0644","0.0531","","","0.147","0.1572","","","","","","0.997","","","","has coordinates,has disorder","199416","2020-10-21","18:00:00",""
"1546743","12.1887","0.0006","12.7433","0.0007","16.8304","0.001","83.56","0.005","75.676","0.005","74.313","0.005","2435.7","0.2","180","0.1","180","0.1","","","","","","","","7","P -1","-P 1","2","","","","- C84 H136 Cl6 Li2 O10 Sc4 Si4 -","- C84 H136 Cl6 Li2 O10 Sc4 Si4 -","- C84 H136 Cl6 Li2 O10 Sc4 Si4 -","1","0.5","","Ma, Wangyang; yu, chao; Chi, Yue; Chen, Tianyang; Wang, Lianjun; Yin, Jianhao; Wei, Baosheng; Xu, Ling; Zhang, Wen-Xiong; Xi, Zhenfeng","Formation and Ligand-Based Reductivity of Bridged Bis-alkylidene Scandium(III) Complexes","Chem. Sci.","2017","","","","","10.1039/C7SC02018J","","","0.71073","MoKα","","0.0888","0.0609","","","0.1443","0.1668","","","","","","1.035","","","","has coordinates","199417","2020-10-21","18:00:00",""
"1546744","7.6252","0.0003","17.9614","0.0005","12.5733","0.0004","90","","101.302","0.003","90","","1688.64","0.1","100","0.1","100","0.1","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C11 H22 Cl2 N O2 S2 Sc -","- C11 H22 Cl2 N O2 S2 Sc -","- C44 H88 Cl8 N4 O8 S8 Sc4 -","4","1","","Ma, Wangyang; yu, chao; Chi, Yue; Chen, Tianyang; Wang, Lianjun; Yin, Jianhao; Wei, Baosheng; Xu, Ling; Zhang, Wen-Xiong; Xi, Zhenfeng","Formation and Ligand-Based Reductivity of Bridged Bis-alkylidene Scandium(III) Complexes","Chem. Sci.","2017","","","","","10.1039/C7SC02018J","","","0.71073","MoKα","","0.0333","0.025","","","0.0597","0.0649","","","","","","1.031","","","","has coordinates","199417","2020-10-21","18:00:00",""
"1546745","12.597","0.0016","13.4393","0.0015","15.161","0.003","89.102","0.012","69.72","0.016","89.532","0.01","2407.3","0.7","180.01","0.1","180.01","0.1","","","","","","","","7","P -1","-P 1","2","","","","- C38 H60 Cl2 Li O4 Sc Si2 -","- C38 H60 Cl2 Li O4 Sc Si2 -","- C76 H120 Cl4 Li2 O8 Sc2 Si4 -","2","1","","Ma, Wangyang; yu, chao; Chi, Yue; Chen, Tianyang; Wang, Lianjun; Yin, Jianhao; Wei, Baosheng; Xu, Ling; Zhang, Wen-Xiong; Xi, Zhenfeng","Formation and Ligand-Based Reductivity of Bridged Bis-alkylidene Scandium(III) Complexes","Chem. Sci.","2017","","","","","10.1039/C7SC02018J","","","0.71073","MoKα","","0.1991","0.0878","","","0.1534","0.1937","","","","","","0.852","","","","has coordinates","199417","2020-10-21","18:00:00",""
"1546746","7.0301","0.0003","10.1171","0.0005","9.2007","0.0004","90","","101.433","0.004","90","","641.41","0.05","100","0.1","100","0.1","","","","","","","","5","P 1 n 1","P -2yac","7","","","","- C12 H18 Cl O2 Sc -","- C12 H18 Cl O2 Sc -","- C24 H36 Cl2 O4 Sc2 -","2","1","","Ma, Wangyang; yu, chao; Chi, Yue; Chen, Tianyang; Wang, Lianjun; Yin, Jianhao; Wei, Baosheng; Xu, Ling; Zhang, Wen-Xiong; Xi, Zhenfeng","Formation and Ligand-Based Reductivity of Bridged Bis-alkylidene Scandium(III) Complexes","Chem. Sci.","2017","","","","","10.1039/C7SC02018J","","x-ray","0.71073","MoKα","","0.0407","0.04","","","0.1167","0.1173","","","","","","1.08","","","","has coordinates","199417","2020-10-21","18:00:00",""
"1546747","16.4374","0.0009","6.2657","0.0002","12.5689","0.0006","90","","120.523","0.007","90","","1115.11","0.12","100","0.1","100","0.1","","","","","","","","6","C 1 c 1","C -2yc","9","","2,2-Difluoro-3-(4-fluorophenyl)-2<i>H</i>-benzo[<i>e</i>][1,3,2]oxazaborinin-3-ium-2-uide","","- C13 H9 B F3 N O -","- C13 H9 B F3 N O -","- C52 H36 B4 F12 N4 O4 -","4","1","BT4059","Dziuk, Błażej; Ośmiałowski, Borys; Zakrzewska, Anna; Ejsmont, Krzysztof; Zarychta, Bartosz","2,2-Difluoro-3-(4-fluorophenyl)-2<i>H</i>-benzo[<i>e</i>][1,3,2]oxazaborinin-3-ium-2-uide","IUCrData","2017","2","8","x171109","","10.1107/S2414314617011099","","","0.71073","MoKα","","0.029","0.027","","","0.0673","0.0681","","","","","","1.014","","","","has coordinates,has Fobs","199461","2020-10-21","18:00:00",""
"1546748","15.8203","0.0017","6.8156","0.0007","8.7275","0.0008","90","","90","","90","","941.04","0.16","296","2","296","2","","","","","","","","4","P n m a","-P 2ac 2n","62","benzylammonium nitrate","4-Methoxybenzylammonium nitrate","","- C8 H12 N2 O4 -","- C8 H12 N2 O4 -","- C32 H48 N8 O16 -","4","0.5","BH4027","Umarani, P.; Thiruvalluvar, A.; Ramachandra Raja, C.","4-Methoxybenzylammonium nitrate","IUCrData","2017","2","8","x171114","","10.1107/S2414314617011142","","","0.71073","MoKα","","0.0737","0.0401","","","0.1065","0.131","","","","","","1.062","","","","has coordinates,has Fobs","199462","2020-10-21","18:00:00",""
"1546749","10.7598","0.0006","17.9842","0.0009","14.3349","0.0008","90","","99.782","0.004","90","","2733.6","0.3","150","2","150","2","","","","","","","","7","P 1 21 1","P 2yb","4","","","","- C71 H59 B Fe N2 O P2 -","- C71 H59 B Fe N2 O P2 -","- C142 H118 B2 Fe2 N4 O2 P4 -","2","1","","Demmans, Karl Z.; Seo, Chris S. G.; Lough, Alan J.; Morris, Robert H.","From imine to amine: an unexpected left turn. Cis-β iron(ii) PNNP′ precatalysts for the asymmetric transfer hydrogenation of acetophenone","Chem. Sci.","2017","","","","","10.1039/C7SC02558K","","","1.54178","CuKα","","0.1438","0.0752","","","0.1616","0.1978","","","","","","1.081","","","","has coordinates","199476","2020-10-21","18:00:00",""
"1546750","11.301","0.002","14.448","0.003","19.278","0.004","110.941","0.005","97.709","0.006","101.33","0.005","2809.8","1","151","2","151","2","","","","","","","","8","P 1","P 1","1","","","","- C71 H60 B Br Fe N2 O P2 -","- C71 H60 B Br Fe N2 O P2 -","- C142 H120 B2 Br2 Fe2 N4 O2 P4 -","2","2","","Demmans, Karl Z.; Seo, Chris S. G.; Lough, Alan J.; Morris, Robert H.","From imine to amine: an unexpected left turn. Cis-β iron(ii) PNNP′ precatalysts for the asymmetric transfer hydrogenation of acetophenone","Chem. Sci.","2017","","","","","10.1039/C7SC02558K","","","0.71073","MoKα","","0.134","0.0543","","","0.0715","0.0881","","","","","","0.939","","","","has coordinates","199476","2020-10-21","18:00:00",""
"1546751","10.9864","0.0004","12.9194","0.0004","40.2053","0.0014","90","","90","","90","","5706.6","0.3","100","2","100","2","","","","","","","","8","P 21 21 21","P 2ac 2ab","19","","","","- C67 H70 B Br Fe N2 O2 P2 -","- C67 H70 B Br Fe N2 O2 P2 -","- C268 H280 B4 Br4 Fe4 N8 O8 P8 -","4","1","","Demmans, Karl Z.; Seo, Chris S. G.; Lough, Alan J.; Morris, Robert H.","From imine to amine: an unexpected left turn. Cis-β iron(ii) PNNP′ precatalysts for the asymmetric transfer hydrogenation of acetophenone","Chem. Sci.","2017","","","","","10.1039/C7SC02558K","","","1.54178","CuKα","","0.0534","0.0468","","","0.1173","0.1211","","","","","","1.065","","","","has coordinates,has disorder","199476","2020-10-21","18:00:00",""
"1546752","8.473","0.005","10.542","0.005","11.891","0.005","90","0.005","106.339","0.005","90","0.005","1019.2","0.9","150","2","150","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C23 H21 Br O4 -","- C23 H21 Br O4 -","- C46 H42 Br2 O8 -","2","1","","Ray Choudhury, Abhijnan; Manna, Madhu Sudan; Mukherjee, Santanu","Nitro-enabled catalytic enantioselective formal umpolung alkenylation of β-ketoesters","Chem. Sci.","2017","","","","","10.1039/C7SC02232H","","","0.71073","MoKα","","0.0368","0.0323","","","0.0767","0.0785","","","","","","1.042","","","","has coordinates","199477","2020-10-21","18:00:00",""
"1546753","10.5628","0.0002","13.4613","0.0003","26.2818","0.0005","79.225","0.001","83.349","0.001","75.404","0.001","3543.33","0.13","133","2","133","2","","","","","","","","7","P -1","-P 1","2","","","","- C31 H30 F3 Mn N6 O9 S2 -","- C31 H30 F2.9999 Mn N6 O8.9999 S2 -","- C124 H120 F11.9996 Mn4 N24 O35.9996 S8 -","4","2","","Reddy G., Upendar; Liu, Jingjing; Hoffmann, Patrick; Steinmetzer, Johannes; Görls, Helmar; Kupfer, Stephan; Askes, Sven H. C.; Neugebauer, Ute; Gräfe, Stefanie; Schiller, Alexander","Light-responsive paper strips as CO-releasing material with a colourimetric response","Chem. Sci.","2017","","","","","10.1039/C7SC01692A","","","0.71073","MoKα","","0.104","0.0887","","","0.2279","0.2428","","","","","","1.018","","","","has coordinates,has disorder","199478","2020-10-21","18:00:00",""
"1546754","6.2718","0.0001","14.7186","0.0001","24.2813","0.0002","90","","90","","90","","2241.46","0.04","100.01","0.1","100.01","0.1","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C26 H32 N2 O3 -","- C26 H32 N2 O3 -","- C104 H128 N8 O12 -","4","1","","Flanigan, Darrin M.; Rovis, Tomislav","Enantioselective N-heterocyclic carbene-catalyzed nucleophilic dearomatization of alkyl pyridiniums","Chem. Sci.","2017","","","","","10.1039/C7SC02648J","","x-ray","1.54184","CuKα","","0.0296","0.0288","","","0.0737","0.0743","","","","","","1.045","","","","has coordinates","199504","2020-10-21","18:00:00",""
"1546755","15.599","0.0003","18.69","0.0005","19.2605","0.0005","70.341","0.002","87.9","0.002","67.582","0.002","4861.2","0.2","150","2","150.15","","","","","","","","","6","P -1","-P 1","2","","","","- C248 H200 Br8 F8 N8 O16 -","- C248 H200 Br8 F8 N8 O16 -","- C248 H200 Br8 F8 N8 O16 -","1","0.5","","Kumar, Tarun; Mane, Vaijinath; Namboothiri, Irishi N. N.","Synthesis of Aminophenanthrenes and Benzoquinolines via Hauser-Kraus Annulation of Sulfonyl Phthalide with Rauhut-Currier Adducts of Nitroalkenes.","Organic letters","2017","19","16","4283","4286","10.1021/acs.orglett.7b01924","","","0.71073","MoKα","","0.0527","0.0389","","","0.0883","0.0958","","","","","","1.027","","","","has coordinates,has disorder","211196","2020-10-21","18:00:00",""
"1546756","9.4869","0.0007","16.4069","0.0012","12.2003","0.0008","90","","93.931","0.002","90","","1894.5","0.2","103","2","103","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C20 H34 B N -","- C20 H34 B N -","- C80 H136 B4 N4 -","4","1","","Braunschweig, Holger; Auerhammer, Dominic; Arrowsmith, Merle; Dewhurst, Rian; JIMENEZ-HALLA, J. OSCAR C.; Kupfer, Thomas","Nucleophilic Addition and Substitution at Coordinatively Saturated Boron by Facile 1,2-Hydrogen Shuttling onto a Carbene Donor","Chem. Sci.","2017","","","","","10.1039/C7SC03193A","","","0.71073","MoKα","","0.0481","0.0411","","","0.1054","0.111","","","","","","1.027","","","","has coordinates","199537","2020-10-21","18:00:00",""
"1546757","15.483","0.0017","9.8194","0.001","16.6483","0.0019","90","","105.121","0.004","90","","2443.5","0.5","100","2","100","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C25 H44 B N -","- C25 H44 B N -","- C100 H176 B4 N4 -","4","1","","Braunschweig, Holger; Auerhammer, Dominic; Arrowsmith, Merle; Dewhurst, Rian; JIMENEZ-HALLA, J. OSCAR C.; Kupfer, Thomas","Nucleophilic Addition and Substitution at Coordinatively Saturated Boron by Facile 1,2-Hydrogen Shuttling onto a Carbene Donor","Chem. Sci.","2017","","","","","10.1039/C7SC03193A","","","0.71073","MoKα","","0.0762","0.0469","","","0.0969","0.11","","","","","","1.03","","","","has coordinates","199537","2020-10-21","18:00:00",""
"1546758","13.724","0.003","16.513","0.003","23.647","0.005","90","0.03","105.61","0.03","90","0.03","5161","2","100","2","100","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C29 H44 B N -","- C29 H44 B N -","- C232 H352 B8 N8 -","8","2","","Braunschweig, Holger; Auerhammer, Dominic; Arrowsmith, Merle; Dewhurst, Rian; JIMENEZ-HALLA, J. OSCAR C.; Kupfer, Thomas","Nucleophilic Addition and Substitution at Coordinatively Saturated Boron by Facile 1,2-Hydrogen Shuttling onto a Carbene Donor","Chem. Sci.","2017","","","","","10.1039/C7SC03193A","","","0.71073","MoKα","","0.1054","0.0663","","","0.1613","0.1884","","","","","","1.041","","","","has coordinates,has disorder","199537","2020-10-21","18:00:00",""
"1546759","17.9286","0.0009","17.5371","0.0009","24.5618","0.0013","90","","90","","90","","7722.6","0.7","100","2","100","2","","","","","","","","6","P b c a","-P 2ac 2ab","61","","","","- C40 H63 B Li N O3 -","- C40 H63 B Li N O3 -","- C320 H504 B8 Li8 N8 O24 -","8","1","","Braunschweig, Holger; Auerhammer, Dominic; Arrowsmith, Merle; Dewhurst, Rian; JIMENEZ-HALLA, J. OSCAR C.; Kupfer, Thomas","Nucleophilic Addition and Substitution at Coordinatively Saturated Boron by Facile 1,2-Hydrogen Shuttling onto a Carbene Donor","Chem. Sci.","2017","","","","","10.1039/C7SC03193A","","","0.71073","MoKα","","0.0818","0.0531","","","0.1133","0.1275","","","","","","1.017","","","","has coordinates,has disorder","199537","2020-10-21","18:00:00",""
"1546760","9.633","0.002","31.696","0.007","10.432","0.002","90","","115.215","0.006","90","","2881.7","1","100","2","100","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C29 H53 B Li N O -","- C29 H53 B Li N O -","- C116 H212 B4 Li4 N4 O4 -","4","1","","Braunschweig, Holger; Auerhammer, Dominic; Arrowsmith, Merle; Dewhurst, Rian; JIMENEZ-HALLA, J. OSCAR C.; Kupfer, Thomas","Nucleophilic Addition and Substitution at Coordinatively Saturated Boron by Facile 1,2-Hydrogen Shuttling onto a Carbene Donor","Chem. Sci.","2017","","","","","10.1039/C7SC03193A","","","0.71073","MoKα","","0.072","0.0568","","","0.1363","0.1432","","","","","","1.121","","","","has coordinates","199537","2020-10-21","18:00:00",""
"1546761","15.5756","0.001","16.3913","0.001","18.0729","0.0011","90","","90","","90","","4614.1","0.5","100","2","100","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C25 H39 B N2 -","- C25 H39 B N2 -","- C200 H312 B8 N16 -","8","1","","Braunschweig, Holger; Auerhammer, Dominic; Arrowsmith, Merle; Dewhurst, Rian; JIMENEZ-HALLA, J. OSCAR C.; Kupfer, Thomas","Nucleophilic Addition and Substitution at Coordinatively Saturated Boron by Facile 1,2-Hydrogen Shuttling onto a Carbene Donor","Chem. Sci.","2017","","","","","10.1039/C7SC03193A","","","0.71073","MoKα","","0.0887","0.0466","","","0.1073","0.1295","","","","","","1.02","","","","has coordinates","199537","2020-10-21","18:00:00",""
"1546762","9.411","0.003","14.986","0.004","19.855","0.006","90","","90","","90","","2800.2","1.4","100.2","","100","","","","","","","","","5","P b c a","-P 2ac 2ab","61","","cis-2-Nitro-N-(1-oxidotetrahydro-2H-thiopyran-4-yl)benzenesulfonamide","","- C11 H14 N2 O5 S2 -","- C11 H14 N2 O5 S2 -","- C88 H112 N16 O40 S16 -","8","1","","Mizojiri, Ryo; Takami, Kazuaki; Ito, Tatsuya; Maeda, Hiroyuki; Yamano, Mitsuhisa; Kawamoto, Tetsuji","Efficient and Stereoselective Syntheses of Isomerically Pure 4-Aminotetrahydro-2H-thiopyran 1-Oxide Derivatives","Organic Process Research & Development","2017","21","7","1034","","10.1021/acs.oprd.7b00147","","","1.5419","CuKα","","0.0439","0.0328","","","0.0834","0.1009","","","","","","0.177","","","","has coordinates","199561","2020-10-21","18:00:00",""
"1546763","8.9382","0.0008","12.8773","0.0012","14.7873","0.0014","90.81","0.004","94.233","0.003","99.34","0.003","1674.3","0.3","123","","123","","","","","","","","P. Ravat","4","P -1","-P 1","2","","","","- C22 H10 Br2 F2 -","- C22 H10 Br2 F2 -","- C88 H40 Br8 F8 -","4","2","","Ravat, Prince; Hinkelmann, Rahel; Steinebrunner, David; Prescimone, Alessandro; Bodoky, Ina; Juríček, Michal","Configurational Stability of [5]Helicenes.","Organic letters","2017","19","14","3707","3710","10.1021/acs.orglett.7b01461","","","1.54178","CuKα","","0.0617","0.0614","","0.1696","0.1695","0.1696","","","","","","1.0183","","","","has coordinates","199564","2020-10-21","18:00:00",""
"1546764","5.9869","0.0002","10.9322","0.0004","19.3709","0.0007","90","","90","","90","","1267.83","0.08","150","2","150","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C15 H14 O2 Se -","- C15 H14 O2 Se -","- C60 H56 O8 Se4 -","4","1","","Topinka, Michael; Zawatzky, Kerstin; Barnes, Charles L.; Welch, Christopher J.; Harmata, Michael","An Asymmetric, Catalytic (4 + 3) Cycloaddition Reaction of Cyclopentenyl Oxyallylic Cations.","Organic letters","2017","19","15","4106","4109","10.1021/acs.orglett.7b01868","","","0.71073","MoKα","","0.0421","0.0316","","","0.0526","0.0551","","","","","","1.116","","","","has coordinates","199565","2020-10-21","18:00:00",""
"1546765","5.5338","0.0006","16.6117","0.0017","26.533","0.003","90","","90","","90","","2439.1","0.5","103","2","103","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C27 H28 N4 O7 -","- C27 H28 N4 O7 -","- C108 H112 N16 O28 -","4","1","","Liao, Hongze; Leng, Wei-Lin; Le Mai Hoang, Kim; Yao, Hui; He, Jingxi; Voo, Amanda Ying Hui; Liu, Xue-Wei","Asymmetric syntheses of 8-oxabicyclo[3,2,1]octane and 11-oxatricyclo[5.3.1.0]undecane from glycals","Chem. Sci.","2017","","","","","10.1039/C7SC02625K","","","1.54178","CuKα","","0.052","0.0471","","","0.1278","0.1352","","","","","","1.088","","","","has coordinates","199627","2020-10-21","18:00:00",""
"1546766","5.8597","0.0006","8.435","0.0008","35.607","0.004","90","","90","","90","","1759.9","0.3","103","2","103","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C22 H20 O4 -","- C22 H20 O4 -","- C88 H80 O16 -","4","1","","Liao, Hongze; Leng, Wei-Lin; Le Mai Hoang, Kim; Yao, Hui; He, Jingxi; Voo, Amanda Ying Hui; Liu, Xue-Wei","Asymmetric syntheses of 8-oxabicyclo[3,2,1]octane and 11-oxatricyclo[5.3.1.0]undecane from glycals","Chem. Sci.","2017","","","","","10.1039/C7SC02625K","","","0.71073","MoKα","","0.0555","0.0467","","","0.0946","0.0978","","","","","","1.089","","","","has coordinates","199627","2020-10-21","18:00:00",""
"1546767","10.1542","0.001","26.46","0.003","26.744","0.003","90","","90","","90","","7185.6","1.3","173.15","","173.15","","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C36.5 H52.5 Cl1.5 Co N2 O2 -","- C36.5 H52.5 Cl1.5 Co N2 O2 -","- C292 H420 Cl12 Co8 N16 O16 -","8","2","","Liu, Xu; Tian, Lei; Wu, Zhenqiang; Zhao, Xianyuan; Wang, Zikuan; Yu, Donggeng; Fu, Xuefeng","Visible-light-induced synthesis of polymers with versatile end groups mediated by organocobalt complexes","Polym. Chem.","2017","","","","","10.1039/C7PY01086A","","","0.71073","MoKα","","0.0808","0.0684","","","0.1367","0.1473","","","","","","1.079","","","","has coordinates","214153","2020-10-21","18:00:00",""
"1546768","10.733","0.002","12.501","0.003","17.319","0.004","92.4","0.03","104.5","0.03","106.39","0.03","2142.4","1","173.15","","173.15","","","","","","","","","5","P -1","-P 1","2","","","","- C42 H56 Co N3 O4 -","- C42 H56 Co N3 O4 -","- C84 H112 Co2 N6 O8 -","2","1","","Liu, Xu; Tian, Lei; Wu, Zhenqiang; Zhao, Xianyuan; Wang, Zikuan; Yu, Donggeng; Fu, Xuefeng","Visible-light-induced synthesis of polymers with versatile end groups mediated by organocobalt complexes","Polym. Chem.","2017","","","","","10.1039/C7PY01086A","","","0.71073","MoKα","","0.092","0.0844","","","0.1978","0.2026","","","","","","1.144","","","","has coordinates,has disorder","199634","2020-10-21","18:00:00",""
"1546769","10.784","0.003","12.609","0.004","14.442","0.002","98.614","0.005","96.546","0.003","105.985","0.005","1841.5","0.8","173.15","","173.15","","","","","","","","","5","P -1","-P 1","2","","","","- C40 H56 Co N3 O3 -","- C40 H56 Co N3 O3 -","- C80 H112 Co2 N6 O6 -","2","1","","Liu, Xu; Tian, Lei; Wu, Zhenqiang; Zhao, Xianyuan; Wang, Zikuan; Yu, Donggeng; Fu, Xuefeng","Visible-light-induced synthesis of polymers with versatile end groups mediated by organocobalt complexes","Polym. Chem.","2017","","","","","10.1039/C7PY01086A","","","0.71073","MoKα","","0.078","0.0763","","","0.1735","0.1744","","","","","","1.22","","","","has coordinates,has disorder","199634","2020-10-21","18:00:00",""
"1546770","16.383","0.003","10.7067","0.0018","23.844","0.004","90","","90.313","0.003","90","","4182.4","1.3","173.15","","173.15","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C45 H68 Co N3 O3 -","- C45 H68 Co N3 O3 -","- C180 H272 Co4 N12 O12 -","4","1","","Liu, Xu; Tian, Lei; Wu, Zhenqiang; Zhao, Xianyuan; Wang, Zikuan; Yu, Donggeng; Fu, Xuefeng","Visible-light-induced synthesis of polymers with versatile end groups mediated by organocobalt complexes","Polym. Chem.","2017","","","","","10.1039/C7PY01086A","","","0.71073","MoKα","","0.129","0.1231","","","0.2472","0.25","","","","","","1.253","","","","has coordinates,has disorder","199634","2020-10-21","18:00:00",""
"1546771","6.195","0.0019","9.868","0.003","13.376","0.004","77.035","0.017","85.51","0.03","89.77","0.03","794.3","0.4","173","","173","","","","","","","","","5","P -1","-P 1","2","","","","- C17 H13 F3 O2 S -","- C17 H13 F3 O2 S -","- C34 H26 F6 O4 S2 -","2","1","","Sonehara, Taro; Murakami, Shogo; Yamazaki, Sae; Kawatsura, Motoi","Iron-Catalyzed Intermolecular Hydrothiolation of Internal Alkynes with Thiosalicylic Acids, and Sequential Intramolecular Cyclization Reaction.","Organic letters","2017","19","16","4299","4302","10.1021/acs.orglett.7b01953","","","0.71075","MoKα","","","0.0484","","","","0.1478","","","","","","1.107","","","","has coordinates","200732","2020-10-21","18:00:00",""
"1546772","9.9684","0.0007","7.8695","0.0006","16.6927","0.001","90","","106.097","0.007","90","","1258.14","0.16","293","2","293","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","Dimethyl (7-hydroxy-4-methyl-2-oxo-2<i>H</i>-chromen-3-yl)phosphonate","","- C12 H13 O6 P -","- C12 H13 O6 P -","- C48 H52 O24 P4 -","4","1","HB4160","Li, Yunfei; Xiao, Yongmei; Zhang, Xinchi; Yang, Liangru; Yuan, Jinwei; Mao, Pu","Dimethyl (7-hydroxy-4-methyl-2-oxo-2<i>H</i>-chromen-3-yl)phosphonate","IUCrData","2017","2","8","x171119","","10.1107/S2414314617011191","","","0.71073","MoKα","","0.1238","0.0578","","","0.1372","0.1725","","","","","","1.011","","","","has coordinates,has disorder,has Fobs","199673","2020-10-21","18:00:00",""
"1546773","13.7056","0.0003","10.6494","0.0002","14.9163","0.0003","90","","91.744","0.002","90","","2176.12","0.08","150","0.1","150","0.1","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","Diethyl (1-benzyl-4-phenyl-3-trifluoromethyl-1<i>H</i>-pyrrol-2-yl)phosphonate","","- C22 H23 F3 N O3 P -","- C22 H23 F3 N O3 P -","- C88 H92 F12 N4 O12 P4 -","4","1","HB4162","Jezuita, Anna; Cal, Dariusz; Zagórski, Piotr; Ejsmont, Krzysztof; Zarychta, Bartosz","Diethyl (1-benzyl-4-phenyl-3-trifluoromethyl-1<i>H</i>-pyrrol-2-yl)phosphonate","IUCrData","2017","2","8","x171122","","10.1107/S2414314617011221","","","0.71073","MoKα","","0.0436","0.0309","","","0.0763","0.0786","","","","","","0.979","","","","has coordinates,has Fobs","199674","2020-10-21","18:00:00",""
"1546774","9.6529","0.0004","17.7072","0.0005","10.4833","0.0004","90","","114.106","0.004","90","","1635.6","0.12","100","0.1","100","0.1","","","","","","","","6","P 1 21/n 1","-P 2yn","14","2-[4-(Dimethylamino)phenyl]-3,3-difluoro-3<i>H</i>-naphtho[1,2-<i>e</i>][1,3,2]oxazaborinin-2-ium-3-uide","","","- C19 H17 B F2 N2 O -","- C19 H17 B F2 N2 O -","- C76 H68 B4 F8 N8 O4 -","4","1","BX4006","Dziuk, Błażej; Ośmiałowski, Borys; Skotnicka, Agnieszka; Ejsmont, Krzysztof; Zarychta, Bartosz","2-[4-(Dimethylamino)phenyl]-3,3-difluoro-3<i>H</i>-naphtho[1,2-<i>e</i>][1,3,2]oxazaborinin-2-ium-3-uide","IUCrData","2017","2","8","x171141","","10.1107/S2414314617011415","","","0.71073","MoKα","","0.043","0.0308","","","0.0778","0.0803","","","","","","0.98","","","","has coordinates,has Fobs","199675","2020-10-21","18:00:00",""
"1546775","6.8576","0.0003","8.1526","0.0003","7.7457","0.0002","90","","90","","90","","433.04","0.03","293","2","293","2","22600000","","22600000","","","","","4","P n a m","-P 2c 2n","62","danburite","danburite","","- B2 Ca O8 Si2 -","- B2 Ca O8 Si2 -","- B8 Ca4 O32 Si8 -","4","0.5","","Pakhomova, Anna; Bykova, Elena; Bykov, Maxim; Glazyrin, Konstantin; Gasharova, Biliana; Liermann, Hanns-Peter; Mezouar, Mohamed; Gorelova, Liudmila; Krivovichev, Sergey; Dubrovinsky, Leonid","A closer look into close packing: pentacoordinated silicon in a high-pressure polymorph of danburite","IUCrJ","2017","4","5","","","10.1107/S2052252517010612","","","0.29024","synchrotron","","0.0293","0.0262","","","0.0698","0.0723","","","","","","1.19","","","","has coordinates","199718","2020-10-21","18:00:00",""
"1546776","6.3537","0.0005","7.9518","0.0003","8.0112","0.0003","90","","90","","90","","404.75","0.04","293","2","293","2","25400000","","25400000","","","","","4","P n a m","-P 2c 2n","62","danburite","danburite","","- B2 Ca O8 Si2 -","- B2 Ca O8 Si2 -","- B8 Ca4 O32 Si8 -","4","0.5","","Pakhomova, Anna; Bykova, Elena; Bykov, Maxim; Glazyrin, Konstantin; Gasharova, Biliana; Liermann, Hanns-Peter; Mezouar, Mohamed; Gorelova, Liudmila; Krivovichev, Sergey; Dubrovinsky, Leonid","A closer look into close packing: pentacoordinated silicon in a high-pressure polymorph of danburite","IUCrJ","2017","4","5","","","10.1107/S2052252517010612","","","0.29056","synchrotron","","0.0596","0.0423","","","0.1256","0.1783","","","","","","1.321","","","","has coordinates","199718","2020-10-21","18:00:00",""
"1546777","5.479","0.005","5.532","0.002","6.681","0.006","91.74","0.05","104.57","0.08","95.59","0.05","194.7","0.3","296","2","296","2","25400000","","25400000","","","","","4","P -1","-P 1","2","danburite","danburite","","- B2 Ca O8 Si2 -","- B2 Ca O8 Si2 -","- B4 Ca2 O16 Si4 -","2","1","","Pakhomova, Anna; Bykova, Elena; Bykov, Maxim; Glazyrin, Konstantin; Gasharova, Biliana; Liermann, Hanns-Peter; Mezouar, Mohamed; Gorelova, Liudmila; Krivovichev, Sergey; Dubrovinsky, Leonid","A closer look into close packing: pentacoordinated silicon in a high-pressure polymorph of danburite","IUCrJ","2017","4","5","","","10.1107/S2052252517010612","","","0.29024","synchrotron","","0.1154","0.0887","","","0.2368","0.2714","","","","","","1.12","","","","has coordinates","199718","2020-10-21","18:00:00",""
"1546778","7.9989","0.0017","7.8697","0.0014","6.249","0.003","90","","89.75","0.03","90","","393.4","0.2","293","2","293","2","32300000","","32300000","","","","","4","P 1 21/c 1","-P 2ybc","14","danburite","danburite","","- B4 Ca2 O16 Si4 -","- B4 Ca2 O16 Si4 -","- B8 Ca4 O32 Si8 -","2","0.5","","Pakhomova, Anna; Bykova, Elena; Bykov, Maxim; Glazyrin, Konstantin; Gasharova, Biliana; Liermann, Hanns-Peter; Mezouar, Mohamed; Gorelova, Liudmila; Krivovichev, Sergey; Dubrovinsky, Leonid","A closer look into close packing: pentacoordinated silicon in a high-pressure polymorph of danburite","IUCrJ","2017","4","5","","","10.1107/S2052252517010612","","","0.29024","synchrotron","","0.1252","0.0979","","","0.2941","0.3095","","","","","","1.175","","","","has coordinates","199718","2020-10-21","18:00:00",""
"1546779","6.6282","0.00013","12.7871","0.0002","29.3443","0.0005","81.5019","0.0014","84.6748","0.0015","75.0869","0.0016","2373.02","0.07","110","2","110","2","","","","","","","","4","P 1","P 1","1","","","","- C25 H37 F O5 -","- C25 H37 F O5 -","- C100 H148 F4 O20 -","4","4","","Bume, Desta Doro; Pitts, Cody Ross; Ghorbani, Fereshte; Harry, Stefan Andrew; Capilato, Joseph N.; Siegler, Maxime A.; Lectka, Thomas","Ketones as Directing Groups in Photocatalytic sp3 C-H Fluorination","Chem. Sci.","2017","","","","","10.1039/C7SC02703F","","","1.54178","CuKα","","0.0396","0.0375","","","0.1066","0.1087","","","","","","1.031","","","","has coordinates,has disorder","199723","2020-10-21","18:00:00",""
"1546780","12.91998","0.00013","18.73733","0.00015","7.59349","0.00007","90","","90","","90","","1838.28","0.03","200","2","200","2","","","","","","","","4","P 21 21 2","P 2 2ab","18","","","","- C21 H29 F O2 -","- C21 H29 F O2 -","- C84 H116 F4 O8 -","4","1","","Bume, Desta Doro; Pitts, Cody Ross; Ghorbani, Fereshte; Harry, Stefan Andrew; Capilato, Joseph N.; Siegler, Maxime A.; Lectka, Thomas","Ketones as Directing Groups in Photocatalytic sp3 C-H Fluorination","Chem. Sci.","2017","","","","","10.1039/C7SC02703F","","","1.54178","CuKα","","0.0493","0.0485","","","0.1309","0.1318","","","","","","1.027","","","","has coordinates,has disorder","199723","2020-10-21","18:00:00",""
"1546781","14.1167","0.0002","11.44999","0.00015","29.4125","0.0004","90","","103.821","0.0015","90","","4616.48","0.11","110","2","110","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C25 H37 F O5 -","- C25 H37 F O5 -","- C200 H296 F8 O40 -","8","4","","Bume, Desta Doro; Pitts, Cody Ross; Ghorbani, Fereshte; Harry, Stefan Andrew; Capilato, Joseph N.; Siegler, Maxime A.; Lectka, Thomas","Ketones as Directing Groups in Photocatalytic sp3 C-H Fluorination","Chem. Sci.","2017","","","","","10.1039/C7SC02703F","","","1.54178","CuKα","","0.0425","0.0408","","","0.1066","0.1089","","","","","","1.013","","","","has coordinates","199723","2020-10-21","18:00:00",""
"1546782","9.3432","0.0006","10.4314","0.0008","18.0901","0.0014","90","","90","","90","","1763.1","0.2","173","2","173","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","Methyl (2<i>R</i>)-2-benzamido-2-{[(1<i>R</i>)-2-methoxy-2-oxo-1-phenylethyl]amino}acetate","","- C19 H20 N2 O5 -","- C19 H20 N2 O5 -","- C76 H80 N8 O20 -","4","1","SJ4129","Karai, Oumaima; Aouine, Younas; Faraj, Hassane; Alami, Anouar; El Hallaoui, Abdelilah; Zouihri, Hafid","Methyl (2<i>R</i>)-2-benzamido-2-{[(1<i>R</i>)-2-methoxy-2-oxo-1-phenylethyl]amino}acetate","IUCrData","2017","2","8","x171155","","10.1107/S2414314617011555","","","0.71073","MoKα","","0.0298","0.0268","","","0.0621","0.0645","","","","","","1.037","","","","has coordinates,has Fobs","199734","2020-10-21","18:00:00",""
"1546783","11.18234","0.00017","5.96601","0.0001","23.6894","0.0004","90","","94.8227","0.0014","90","","1574.82","0.04","150","0.1","150","0.1","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C20 H17 N O0 S -","- C20 H17 N S -","- C80 H68 N4 S4 -","4","1","","Jiang, Huanfeng; Huang, Yubing; Li, Xianwei; Wang, Xu; Yu, Yue; Zheng, Jia; Wu, Wanqing","Copper-Catalyzed Cyanothiolation to Incorporate Sulfur-Substituted Quaternary Carbon Center","Chem. Sci.","2017","","","","","10.1039/C7SC02867A","","x-ray","1.54184","CuKα","","0.0389","0.0369","","","0.0976","0.0999","","","","","","1.073","","","","has coordinates","199787","2020-10-21","18:00:00",""
"1546784","11.1344","0.0006","12.0889","0.0005","12.4679","0.0006","89.171","0.003","79.125","0.003","84.202","0.003","1639.62","0.14","296","2","296","2","","","","","","","","4","P -1","-P 1","2","","(<i>R</i>*)-1-Benzyl-3-(2-hydroxyphenyl)indoline-2-one","","- C21 H17 N O2 -","- C21 H17 N O2 -","- C84 H68 N4 O8 -","4","2","","Bargavi, Srinivasan; Gouthaman, Siddan; Sugunnalakshmi, Madurai; Lakshmi, Srinivasakannan","(<i>R</i>*)-1-Benzyl-3-(2-hydroxyphenyl)indoline-2-one","IUCrData","2017","2","8","x171164","","10.1107/S2414314617011646","","","0.71073","MoKα","","0.0969","0.0528","","","0.1495","0.1965","","","","","","1.02","","","","has coordinates,has Fobs","199796","2020-10-21","18:00:00",""
"1546785","12.8533","0.0003","14.3215","0.0004","20.7096","0.0008","86.942","0.003","76.463","0.003","83.026","0.002","3677.6","0.2","100.01","0.1","100.01","0.1","","","","","","","","6","P -1","-P 1","2","","","","- C32.3 H45.6 I2 N4 O2.5 S2.2 -","- C32.3 H33 I2 N4 O2.5 S2.2 -","- C129.2 H132 I8 N16 O10 S8.8 -","4","2","","Shi, Xiujuan; Yu, Chris Y. Y.; Su, Huifang; Kwok, Ryan T. K.; Jiang, Meijuan; He, Zikai; Lam, Jacky Wing Yip; Tang, Ben Zhong","Red-emissive antibody-AIEgen conjugate for turn-on and wash-free imaging of specific cancer cell","Chem. Sci.","2017","","","","","10.1039/C7SC01054K","","x-ray","1.54184","CuKα","","0.0312","0.0305","","","0.0823","0.083","","","","","","1.005","","","","has coordinates,has disorder","199830","2020-10-21","18:00:00",""
"1546789","11.8877","0.0002","24.3685","0.0004","11.9282","0.0002","90","","115.568","0.001","90","","3117.05","0.09","100","2","100","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C40 H41 B2 N -","- C40 H41 B2 N -","- C160 H164 B8 N4 -","4","2","","Fingerle, Michael; Maichle-Mössmer, Cäcilia; Schundelmeier, Simon; Speiser, Bernd; Bettinger, Holger F.","Synthesis and Characterization of a Boron-Nitrogen-Boron Zigzag-Edged Benzo[fg]tetracene Motif.","Organic letters","2017","19","17","4428","4431","10.1021/acs.orglett.7b01873","","","0.71073","MoKα","","0.0521","0.0428","","","0.0995","0.1046","","","","","","1.02","","","","has coordinates","200723","2020-10-21","18:00:00",""
"1546790","9.98","0.0003","10.4842","0.0003","19.301","0.0006","90","","103.22","0.003","90","","1965.99","0.1","100","0.1","100","0.1","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C25 H20 N2 O3 -","- C25 H20 N2 O3 -","- C100 H80 N8 O12 -","4","1","","Qiu, Shaotong; Chen, Lianfen; Jiang, Huanfeng; Zhu, Shifa","CuCl/Et3N-Catalyzed Synthesis of Indanone-Fused 2-Methylene Pyrrolidines from Enynals and Propargylamines.","Organic letters","2017","19","17","4540","4543","10.1021/acs.orglett.7b02121","","x-ray","1.54184","CuKα","","0.0451","0.0413","","","0.102","0.1056","","","","","","1.063","","","","has coordinates","200726","2020-10-21","18:00:00",""
"1546791","18.1884","0.001","13.5886","0.0007","18.3224","0.001","90","","94.711","0.002","90","","4513.2","0.4","100","2","100","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","(Thiocyanato-κ<i>S</i>)tris(triphenylphosphane-κ<i>P</i>)silver(I)","","- C55 H45 Ag N P3 S -","- C55 H45 Ag N P3 S -","- C220 H180 Ag4 N4 P12 S4 -","4","1","TK4035","Nimthong-Roldán, Arunpatcha; Sripa, Paramee; Romyen, Monpariya; Wattanakanjana, Yupa","(Thiocyanato-κ<i>S</i>)tris(triphenylphosphane-κ<i>P</i>)silver(I)","IUCrData","2017","2","8","x171185","","10.1107/S2414314617011853","","","0.71073","MoKα","","0.0321","0.0274","","","0.0646","0.068","","","","","","1.063","","","","has coordinates,has disorder,has Fobs","199879","2020-10-21","18:00:00",""
"1546792","6.0966","0.0016","8.7275","0.0019","11.867","0.004","98.93","0.02","102.72","0.03","107.148","0.017","571.9","0.3","100","2","100","2","","","","","","","","4","P -1","-P 1","2","","","","- C13 H13 N3 O -","- C13 H13 N3 O -","- C26 H26 N6 O2 -","2","1","","Meng, Guangrong; Lalancette, Roger; Szostak, Roman; Szostak, Michal","N-Methylamino Pyrimidyl Amides (MAPA): Highly Reactive, Electronically-Activated Amides in Catalytic N-C(O) Cleavage.","Organic letters","2017","19","17","4656","4659","10.1021/acs.orglett.7b02288","","","1.54178","CuKα","","0.0332","0.0322","","","0.0835","0.0843","","","","","","1.018","","","","has coordinates","200727","2020-10-21","18:00:00",""
"1546793","6.1168","0.0003","12.5792","0.001","13.3742","0.001","113.132","0.007","92.441","0.005","103.376","0.005","910.36","0.12","100","2","100","2","","","","","","","synthesis as described","4","P -1","-P 1","2","","","","- C21 H20 N2 O4 -","- C21 H20 N2 O4 -","- C42 H40 N4 O8 -","2","1","","Rivilla de la Cruz, Iván; de Cózar, Abel; Schäfer, Thomas; Hernandez, Frank J.; Bittner, Alexander M.; Eleta, Aitziber; Aboudzadeh, Ali; SANTOS, JOSE IGNACIO; Miranda, José Ignacio; Cossio, Fernando","Catalysis of a 1,3-dipolar reaction by distorted DNA incorporating a heterobimetallic platinum (II) and copper (II) complex","Chem. Sci.","2017","","","","","10.1039/C7SC02311A","","x-ray","1.54184","CuKα","","0.0837","0.0806","","","0.2286","0.2314","","","","","","1.112","","","","has coordinates","199882","2020-10-21","18:00:00",""
"1546794","6.5875","0.0001","25.7074","0.0003","10.0552","0.0001","90","","101.245","0.001","90","","1670.13","0.04","100","2","100","2","","","","","","","synthesis as described","5","P 1 21/c 1","-P 2ybc","14","","","","- C18 H16 N2 O4 S -","- C18 H16 N2 O4 S -","- C72 H64 N8 O16 S4 -","4","1","","Rivilla de la Cruz, Iván; de Cózar, Abel; Schäfer, Thomas; Hernandez, Frank J.; Bittner, Alexander M.; Eleta, Aitziber; Aboudzadeh, Ali; SANTOS, JOSE IGNACIO; Miranda, José Ignacio; Cossio, Fernando","Catalysis of a 1,3-dipolar reaction by distorted DNA incorporating a heterobimetallic platinum (II) and copper (II) complex","Chem. Sci.","2017","","","","","10.1039/C7SC02311A","","x-ray","1.54184","CuKα","","0.0375","0.0358","","","0.0902","0.0918","","","","","","1.062","","","","has coordinates,has disorder","199882","2020-10-21","18:00:00",""
"1546795","17.1886","0.001","7.6152","0.0004","20.9922","0.0011","90","","100.509","0.004","90","","2701.7","0.3","100","2","100","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","1,1',1'',1'''-((porphyrin-5,10,15,20-tetrayltetrakis(benzene-4,1-diyl))tetrakis(methylene))tetrakis(pyridin-2(1H)-one)","","- C68 H58 N8 O8 -","- C68 H58 N8 O8 -","- C136 H116 N16 O16 -","2","0.5","","Callaghan, Susan; Filatov, Mikhail A.; Sitte, Elisabeth; Savoie, Huguette; Boyle, Ross W.; Flanagan, Keith; Senge, Mathias O.","Delayed release singlet oxygen sensitizers based on pyridone-appended porphyrins","Photochem. Photobiol. Sci.","2017","","","","","10.1039/C7PP00244K","","x-ray","1.54178","CuKα","","0.1181","0.0767","","","0.1949","0.2307","","","","","","1.039","","","","has coordinates","199895","2020-10-21","18:00:00",""
"1546796","15.8019","0.0013","8.9658","0.0007","14.5051","0.0012","90","","107.3","0.001","90","","1962.1","0.3","100","","100.01","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","5,10,15,20-tetrakis(4-(bromomethyl)phenyl)porphyrin","","- C48 H34 Br4 N4 -","- C48 H34 Br4 N4 -","- C96 H68 Br8 N8 -","2","0.5","","Callaghan, Susan; Filatov, Mikhail A.; Sitte, Elisabeth; Savoie, Huguette; Boyle, Ross W.; Flanagan, Keith; Senge, Mathias O.","Delayed release singlet oxygen sensitizers based on pyridone-appended porphyrins","Photochem. Photobiol. Sci.","2017","","","","","10.1039/C7PP00244K","","x-ray","0.71073","MoKα","","0.057","0.037","","","0.0885","0.0964","","","","","","1.019","","","","has coordinates","199895","2020-10-21","18:00:00",""
"1546797","6.768729","0.000013","8.96849","0.000011","23.39031","0.00005","90","","90","","90","","1419.92","0.004","","","","","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C9 H11 O -","- C9 H11 O -","- C72 H88 O8 -","8","2","","James A. Kaduk; Amy M. Gindhart; Thomas N. Blanton","Crystal Structure of 17alpha-Dihydroequilin, C18H22O2, from Synchrotron Powder Diffraction Data and Density Functional Theory","Crystals","2017","7","","218","","10.3390/cryst7070218","powder diffraction","x-ray","0.413342","","","","","","","","","0.13604","","1.49","","","","","","","has coordinates","199902","2020-10-21","18:00:00",""
"1546798","12.4154","0.0013","10.9297","0.0011","19.168","0.002","90","","100.793","0.002","90","","2555","0.5","133","2","133","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C29 H28 N2 O6 S -","- C29 H28 N2 O6 S -","- C116 H112 N8 O24 S4 -","4","1","","Jia, Penghao; Zhang, Qinglong; Ou, Qima; Huang, You","Sequential [1 + 4]- and [2 + 3]-Annulation of Prop-2-ynylsulfonium Salts: Access to Hexahydropyrrolo[3,2-b]indoles.","Organic letters","2017","19","17","4664","4667","10.1021/acs.orglett.7b02298","","","0.71073","MoKα","","0.0396","0.0338","","","0.0894","0.0926","","","","","","1.029","","","","has coordinates","200722","2020-10-21","18:00:00",""
"1546799","12.9639","0.0005","12.9639","0.0005","14.8451","0.0006","90","","90","","120","","2160.65","0.15","150","2","150","2","","","","","","","","4","P 65","P 65","170","","","","- C16 H21 N O3 -","- C16 H21 N O3 -","- C96 H126 N6 O18 -","6","1","","Zhang, Zhi-Jun; Nian, Yin; Zhu, Qin-Feng; Li, Xiao-Nian; Su, Jia; Wu, Xing-De; Yang, Jian; Zhao, Qin-Shi","Lycoplanine A, a C16N Lycopodium Alkaloid with a 6/9/5 Tricyclic Skeleton from Lycopodium complanatum.","Organic letters","2017","19","17","4668","4671","10.1021/acs.orglett.7b02293","","","1.54178","CuKα","","0.0343","0.034","","","0.0864","0.0867","","","","","","1.061","","","","has coordinates","200725","2020-10-21","18:00:00",""
"1546800","7.2478","0.0004","8.2707","0.0004","18.9058","0.001","90","","90","","90","","1133.3","0.1","100","2","100","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","NCGC00481329a","ncats02","","- C12 H14 Cl N O2 -","- C12 H14 Cl N O2 -","- C48 H56 Cl4 N4 O8 -","4","1","","Morris, Patrick J.; Moaddel, Ruin; Zanos, Panos; Moore, Curtis E.; Gould, Todd; Zarate, Jr, Carlos A; Thomas, Craig J.","Synthesis and N-Methyl-d-aspartate (NMDA) Receptor Activity of Ketamine Metabolites.","Organic letters","2017","19","17","4572","4575","10.1021/acs.orglett.7b02177","","","1.54178","CuKα","","0.0229","0.0229","","","0.0597","0.0598","","","","","","1.099","","","","has coordinates","204147","2020-10-21","18:00:00",""
"1546801","7.4051","0.0006","8.6895","0.0008","11.7644","0.0011","90","","107.588","0.002","90","","721.61","0.11","100","","100","","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C12 H17 Cl2 N O3 -","- C12 H17 Cl2 N O3 -","- C24 H34 Cl4 N2 O6 -","2","1","","Morris, Patrick J.; Moaddel, Ruin; Zanos, Panos; Moore, Curtis E.; Gould, Todd; Zarate, Jr, Carlos A; Thomas, Craig J.","Synthesis and N-Methyl-d-aspartate (NMDA) Receptor Activity of Ketamine Metabolites.","Organic letters","2017","19","17","4572","4575","10.1021/acs.orglett.7b02177","","x-ray","0.71073","MoKα","","0.027","0.0252","","","0.0587","0.0599","","","","","","1.049","","","","has coordinates","200728","2020-10-21","18:00:00",""
"1546802","13.6026","0.0012","8.524","0.0008","14.8834","0.0014","90","","113.044","0.001","90","","1588","0.3","302","2","302","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C16 H15 Br N2 O4 -","- C16 H15 Br N2 O4 -","- C64 H60 Br4 N8 O16 -","4","1","","Lam, Shuk Mei; Wong, Wing-Tak; Chiu, Pauline","An Approach to the Welwistatin Core via a Diazoketone Rearrangement-Ring Expansion Strategy.","Organic letters","2017","19","17","4468","4471","10.1021/acs.orglett.7b01988","","","0.71073","MoKα","","0.0437","0.034","","","0.0857","0.0909","","","","","","1.028","","","","has coordinates,has disorder","200730","2020-10-21","18:00:00",""
"1546803","10.6675","0.0004","10.7859","0.0004","29.4456","0.0013","87.957","0.001","86.644","0.001","64.109","0.001","3042.5","0.2","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","","","- C40 H26 Au F3 N2 -","- C40 H26 Au F3 N2 -","- C160 H104 Au4 F12 N8 -","4","2","","Wong, Ben Yiu-Wing; Wong, Hok-Lai; Wong, Yi-Chun; Au, Vonika Ka-Man; Chan, Mei-Yee; Yam, Vivian Wing-Wah","Multi-functional bis(alkynyl)gold(iii) N⁁C complexes with distinct mechanochromic luminescence and electroluminescence properties","Chem. Sci.","2017","","","","","10.1039/C7SC02410J","","","0.71073","MoKα","","0.0757","0.041","","","0.0507","0.0565","","","","","","1.039","","","","has coordinates","199913","2020-10-21","18:00:00",""
"1546804","14.3371","0.0006","14.4204","0.0005","22.4241","0.0009","84.045","0.001","87.761","0.001","69.157","0.001","4309.3","0.3","200","2","200","2","","","","","","","","7","P -1","-P 1","2","","Complex of silver(I) tetrafluoroborate and hexafluorophosphate witn tris(2-pyridyl)phosphine","","- C72 H66 Ag5 B4 F22 N18 P5 -","- C72 H66 Ag5 B4 F22 N18 P5 -","- C144 H132 Ag10 B8 F44 N36 P10 -","2","1","","Artem'ev, Alexander V.; Bagryanskaya, Irina Yu.; Doronina, Evgeniya P.; Tolstoy, Peter M.; Gushchin, Artem L.; Rakhmanova, Mariana I.; Ivanov, Alexander Yu.; Suturina, Anastasiya O.","A new family of clusters containing a silver-centered tetracapped [Ag@Ag <sub>4</sub> (μ <sub>3</sub> -P) <sub>4</sub> ] tetrahedron, inscribed within a N <sub>12</sub> icosahedron","Dalton Transactions","2017","46","37","12425","12429","10.1039/C7DT02597A","","","0.71073","MoKα","","0.0593","0.0394","","","0.0984","0.1135","","","","","","1.066","","","","has coordinates,has disorder","282777","2023-04-20","11:56:47",""
"1546805","18.482","0.002","22.8","0.003","24.67","0.004","90","","96.39","0.006","90","","10331","2","296","2","296","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","Complex of AgPF6 with tris(2-pyridyl)phosphine","","- C62 H51 Ag5 F30 N13 P9 -","- C62 H51 Ag5 F30 N13 P9 -","- C248 H204 Ag20 F120 N52 P36 -","4","1","","Artem'ev, Alexander V.; Bagryanskaya, Irina Yu.; Doronina, Evgeniya P.; Tolstoy, Peter M.; Gushchin, Artem L.; Rakhmanova, Mariana I.; Ivanov, Alexander Yu.; Suturina, Anastasiya O.","A new family of clusters containing a silver-centered tetracapped [Ag@Ag <sub>4</sub> (μ <sub>3</sub> -P) <sub>4</sub> ] tetrahedron, inscribed within a N <sub>12</sub> icosahedron","Dalton Transactions","2017","46","37","12425","12429","10.1039/C7DT02597A","","","0.71073","MoKα","","0.177","0.0804","","","0.1962","0.2689","","","","","","1.091","","","","has coordinates","282777","2023-04-20","11:56:47",""
"1546806","23.685","0.003","22.865","0.002","30.599","0.003","90","","90.97","0.004","90","","16569","3","200","2","200","2","","","","","","","","8","P 1 21/n 1","-P 2yn","14","","Complex of AgBF4 with tris(2-pyridyl)phosphine","","- C72 H69 Ag5 B5 F20 N15 O2 P4 -","- C70.5 H64.5 Ag5 B5 F20 N15 O1.5 P4 -","- C564 H516 Ag40 B40 F160 N120 O12 P32 -","8","2","","Artem'ev, Alexander V.; Bagryanskaya, Irina Yu.; Doronina, Evgeniya P.; Tolstoy, Peter M.; Gushchin, Artem L.; Rakhmanova, Mariana I.; Ivanov, Alexander Yu.; Suturina, Anastasiya O.","A new family of clusters containing a silver-centered tetracapped [Ag@Ag <sub>4</sub> (μ <sub>3</sub> -P) <sub>4</sub> ] tetrahedron, inscribed within a N <sub>12</sub> icosahedron","Dalton Transactions","2017","46","37","12425","12429","10.1039/C7DT02597A","","","0.71073","MoKα","","0.0574","0.0364","","","0.0863","0.1001","","","","","","1.096","","","","has coordinates","282777","2023-04-20","11:56:47",""
"1546807","16.4246","0.0007","22.9762","0.0011","28.4848","0.0011","90","","105.155","0.002","90","","10375.6","0.8","200","2","200","2","","","","","","","","8","P 1 21/n 1","-P 2yn","14","","Complex of AgOTf with tris(2-pyridyl)phosphine","","- C83 H83 Ag5 F15 N12 O21 P4 S5 -","- C83 H83 Ag5 F15 N12 O21 P4 S5 -","- C332 H332 Ag20 F60 N48 O84 P16 S20 -","4","1","","Artem'ev, Alexander V.; Bagryanskaya, Irina Yu.; Doronina, Evgeniya P.; Tolstoy, Peter M.; Gushchin, Artem L.; Rakhmanova, Mariana I.; Ivanov, Alexander Yu.; Suturina, Anastasiya O.","A new family of clusters containing a silver-centered tetracapped [Ag@Ag <sub>4</sub> (μ <sub>3</sub> -P) <sub>4</sub> ] tetrahedron, inscribed within a N <sub>12</sub> icosahedron","Dalton Transactions","2017","46","37","12425","12429","10.1039/C7DT02597A","","","0.71073","MoKα","","0.0954","0.0641","","","0.1222","0.1457","","","","","","1.082","","","","has coordinates,has disorder","282777","2023-04-20","11:56:47",""
"1546808","16.7707","0.0016","28.016","0.003","29.924","0.003","90","","90","","90","","14060","2","110","2","110","2","","","","","","","","7","P b c a","-P 2ac 2ab","61","","","","- C68 H58 B2 F8 Fe4 N14 O16 -","- C68 H58 B2 F8 Fe4 N14 O16 -","- C544 H464 B16 F64 Fe32 N112 O128 -","8","1","","Hossain, Sayed Muktar; Lakma, Avinash; Pradhan, Rabindra Nath; Demeshko, Serhiy; Singh, Akhilesh Kumar","Valence directed binding mode of [2 × 2] iron grids of an unsymmetrical picolinic hydrazone based ligand","Dalton Transactions","2017","46","37","12612","12618","10.1039/C7DT02433A","","","0.71073","MoKα","","0.1541","0.0733","","","0.1483","0.1767","","","","","","1.042","","","","has coordinates,has disorder","282777","2023-04-20","11:56:47",""
"1546809","15.0581","0.0011","15.0581","0.0011","12.1751","0.0009","90","","90","","90","","2760.7","0.4","110","2","110","2","","","","","","","","5","P -4 21 c","P -4 2n","114","","","","- C60 H40 Fe4 N12 O16 -","- C60 H40 Fe4 N12 O16 -","- C120 H80 Fe8 N24 O32 -","2","0.25","","Hossain, Sayed Muktar; Lakma, Avinash; Pradhan, Rabindra Nath; Demeshko, Serhiy; Singh, Akhilesh Kumar","Valence directed binding mode of [2 × 2] iron grids of an unsymmetrical picolinic hydrazone based ligand","Dalton Transactions","2017","46","37","12612","12618","10.1039/C7DT02433A","","","0.71073","MoKα","","0.1641","0.0642","","","0.1252","0.1469","","","","","","1.13","","","","has coordinates","282777","2023-04-20","11:56:47",""
"1546810","14.084","0.006","14.084","0.006","39.7","0.03","90","","90","","90","","7875","8","298","2","298","2","","","","","","","","5","I 41/a :2","-I 4ad","88","","","","- C26 H17 Cl O1.5 P -","- C26 H17 Cl O1.5 P -","- C416 H272 Cl16 O24 P16 -","16","1","","Li, Jie; Zhang, Wen-Wen; Wei, Xiao-Jing; Hao, Wen-Juan; Li, Guigen; Tu, Shu-Jiang; Jiang, Bo","Synthesis of Tribenzo[b,e,g]phosphindole Oxides via Radical Bicyclization Cascades of o-Arylalkynylanilines.","Organic letters","2017","19","17","4512","4515","10.1021/acs.orglett.7b02071","","","0.71073","MoKα","","0.1048","0.0552","","","0.1326","0.149","","","","","","1.066","","","","has coordinates","200724","2020-10-21","18:00:00",""
"1546811","10.0781","0.0004","12.2736","0.0005","18.584","0.0008","74.2212","0.0019","75.854","0.002","70.4236","0.0019","2054.25","0.15","120","2","120","2","","","","","","","","5","P -1","-P 1","2","","","","- C48 H44 Fe2 N2 O8 -","- C48 H44 Fe2 N2 O8 -","- C96 H88 Fe4 N4 O16 -","2","1","","Sinha, Indranil; Lee, Yuseop; Bae, Choongman; Tussupbayev, Samat; Lee, Yujin; Seo, Min-Seob; Kim, Jin; Baik, Mu-Hyun; Lee, Yunho; Kim, Hyunwoo","Computer-aided rational design of Fe( <scp>iii</scp> )-catalysts for the selective formation of cyclic carbonates from CO <sub>2</sub> and internal epoxides","Catalysis Science & Technology","2017","7","19","4375","4387","10.1039/C7CY01435J","","","0.71073","MoKα","","0.0814","0.0479","","","0.1149","0.1295","","","","","","1.074","","","","has coordinates","282777","2023-04-20","11:56:47",""
"1546812","15.0129","0.0009","6.7964","0.0004","16.6082","0.001","90","","107.336","0.0019","90","","1617.62","0.17","100","2","100","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C20 H17 N O3 -","- C20 H17 N O3 -","- C80 H68 N4 O12 -","4","1","","Sinha, Indranil; Lee, Yuseop; Bae, Choongman; Tussupbayev, Samat; Lee, Yujin; Seo, Min-Seob; Kim, Jin; Baik, Mu-Hyun; Lee, Yunho; Kim, Hyunwoo","Computer-aided rational design of Fe( <scp>iii</scp> )-catalysts for the selective formation of cyclic carbonates from CO <sub>2</sub> and internal epoxides","Catalysis Science & Technology","2017","7","19","4375","4387","10.1039/C7CY01435J","","","0.71073","MoKα","","0.0625","0.0454","","","0.1234","0.1309","","","","","","1.38","","","","has coordinates","282777","2023-04-20","11:56:48",""
"1546813","17.9282","0.0006","11.5903","0.0004","21.7086","0.0007","90","","94.633","0.0019","90","","4496.2","0.3","120","2","120","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C24 H24 N2 O6 -","- C24 H24 N2 O6 -","- C192 H192 N16 O48 -","8","1","","Sinha, Indranil; Lee, Yuseop; Bae, Choongman; Tussupbayev, Samat; Lee, Yujin; Seo, Min-Seob; Kim, Jin; Baik, Mu-Hyun; Lee, Yunho; Kim, Hyunwoo","Computer-aided rational design of Fe( <scp>iii</scp> )-catalysts for the selective formation of cyclic carbonates from CO <sub>2</sub> and internal epoxides","Catalysis Science & Technology","2017","7","19","4375","4387","10.1039/C7CY01435J","","","0.71073","MoKα","","0.0858","0.0514","","","0.1351","0.156","","","","","","1.053","","","","has coordinates","282777","2023-04-20","11:56:48",""
"1546814","8.639","0.0003","28.5416","0.001","10.0003","0.0004","90","","98.528","0.002","90","","2438.52","0.16","120","2","120","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C58 H44 Fe2 N4 O10 -","- C58 H44 Fe2 N4 O10 -","- C116 H88 Fe4 N8 O20 -","2","0.5","","Sinha, Indranil; Lee, Yuseop; Bae, Choongman; Tussupbayev, Samat; Lee, Yujin; Seo, Min-Seob; Kim, Jin; Baik, Mu-Hyun; Lee, Yunho; Kim, Hyunwoo","Computer-aided rational design of Fe( <scp>iii</scp> )-catalysts for the selective formation of cyclic carbonates from CO <sub>2</sub> and internal epoxides","Catalysis Science & Technology","2017","7","19","4375","4387","10.1039/C7CY01435J","","","0.71073","MoKα","","0.0867","0.0494","","","0.106","0.1225","","","","","","1.032","","","","has coordinates","282777","2023-04-20","11:56:48",""
"1546815","11.5766","0.0003","17.2082","0.0003","17.1087","0.0005","90","","107.784","0.003","90","","3245.4","0.15","150","2","150","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C34 H48 Cl Ir N2 Si -","- C34 H48 Cl Ir N2 Si -","- C136 H192 Cl4 Ir4 N8 Si4 -","4","1","","Cabeza, Javier A.; García-Álvarez, Pablo; González-Álvarez, Laura","Facile cyclometallation of a mesitylsilylene: synthesis and preliminary catalytic activity of iridium(III) and iridium(V) iridasilacyclopentenes","Chemical Communications","2017","53","74","10275","10278","10.1039/C7CC04832G","","","1.5418","CuKα","","0.0503","0.0441","","","0.1214","0.1283","","","","","","1.07","","","","has coordinates","259813","2020-12-11","13:54:15",""
"1546816","10.0773","0.0004","13.0942","0.0004","22.7288","0.0008","83.648","0.003","87.998","0.003","76.732","0.003","2901.04","0.18","150","2","150","2","","","","","","","","6","P -1","-P 1","2","","","","- C51 H74 Cl7 Ir N4 Si2 -","- C51 H74 Cl7 Ir N4 Si2 -","- C102 H148 Cl14 Ir2 N8 Si4 -","2","1","","Cabeza, Javier A.; García-Álvarez, Pablo; González-Álvarez, Laura","Facile cyclometallation of a mesitylsilylene: synthesis and preliminary catalytic activity of iridium(III) and iridium(V) iridasilacyclopentenes","Chemical Communications","2017","53","74","10275","10278","10.1039/C7CC04832G","","","1.5418","CuKα","","0.0488","0.0425","","","0.1089","0.1142","","","","","","1.033","","","","has coordinates,has disorder","259813","2020-12-11","13:54:17",""
"1546817","20.2028","0.0013","9.0196","0.0003","20.2302","0.0012","90","","114.903","0.007","90","","3343.6","0.4","150","2","150","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C35.5 H50 Cl Ir N2 Si -","- C35.5 H50 Cl Ir N2 Si -","- C142 H200 Cl4 Ir4 N8 Si4 -","4","1","","Cabeza, Javier A.; García-Álvarez, Pablo; González-Álvarez, Laura","Facile cyclometallation of a mesitylsilylene: synthesis and preliminary catalytic activity of iridium(III) and iridium(V) iridasilacyclopentenes","Chemical Communications","2017","53","74","10275","10278","10.1039/C7CC04832G","","","1.5418","CuKα","","0.0547","0.0426","","","0.1087","0.1185","","","","","","1.04","","","","has coordinates,has disorder","259813","2020-12-11","13:54:17",""
"1546818","8.447","0.003","11.738","0.005","19.66","0.006","90","","107.207","0.012","90","","1862.1","1.2","298","2","298","","","","","","","","","7","P 1 c 1","P -2yc","7","","","","- C37 H22 F3 Fe I4 N5 O2 -","- C37 H22 F3 Fe I4 N5 O2 -","- C74 H44 F6 Fe2 I8 N10 O4 -","2","1","","Jeon, Ie-Rang; Mathonière, Corine; Clérac, Rodolphe; Rouzières, Mathieu; Jeannin, Olivier; Trzop, Elzbieta; Collet, Eric; Fourmigué, Marc","Photoinduced reversible spin-state switching of an Fe <sup>III</sup> complex assisted by a halogen-bonded supramolecular network","Chemical Communications","2017","53","74","10283","10286","10.1039/C7CC03797J","","","0.71073","MoKα","","0.1241","0.0471","","","0.0602","0.0735","","","","","","0.972","","","","has coordinates","282777","2023-04-20","11:56:48",""
"1546819","8.3692","0.0002","11.5822","0.0002","19.5061","0.0005","90","","106.785","0.002","90","","1810.24","0.07","250","","250","","","","","","","","","7","P 1 c 1","P -2yc","7","","","","- C38 H22 F3 Fe I4 N4 O2 -","- C38 H22 F3 Fe I4 N4 O2 -","- C76 H44 F6 Fe2 I8 N8 O4 -","2","1","","Jeon, Ie-Rang; Mathonière, Corine; Clérac, Rodolphe; Rouzières, Mathieu; Jeannin, Olivier; Trzop, Elzbieta; Collet, Eric; Fourmigué, Marc","Photoinduced reversible spin-state switching of an Fe <sup>III</sup> complex assisted by a halogen-bonded supramolecular network","Chemical Communications","2017","53","74","10283","10286","10.1039/C7CC03797J","","x-ray","0.71073","MoKα","","0.04","0.0287","","","0.0411","0.0438","","","","","","0.977","","","","has coordinates","282777","2023-04-20","11:56:48",""
"1546820","16.7237","0.0002","22.9833","0.0002","19.4485","0.0002","90","","107.484","0.001","90","","7129.98","0.13","100","","100","","","","","","","","","7","C 1 c 1","C -2yc","9","","","","- C38 H22 F3 Fe I4 N4 O2 -","- C38 H22 F3 Fe I4 N4 O2 -","- C304 H176 F24 Fe8 I32 N32 O16 -","8","2","","Jeon, Ie-Rang; Mathonière, Corine; Clérac, Rodolphe; Rouzières, Mathieu; Jeannin, Olivier; Trzop, Elzbieta; Collet, Eric; Fourmigué, Marc","Photoinduced reversible spin-state switching of an Fe <sup>III</sup> complex assisted by a halogen-bonded supramolecular network","Chemical Communications","2017","53","74","10283","10286","10.1039/C7CC03797J","","x-ray","0.71073","MoKα","","0.0502","0.033","","","0.0407","0.0452","","","","","","0.946","","","","has coordinates","282777","2023-04-20","11:56:48",""
"1546821","9.4175","0.0005","17.1528","0.0009","28.9801","0.0016","79.223","0.003","89.723","0.004","82.329","0.003","4556.6","0.4","143","2","143","2","","","","","","","","6","P -1","-P 1","2","","","","- C80 H154 Br6 Cu N8 O5 -","- C80 H154 Br6 Cu N8 O5 -","- C160 H308 Br12 Cu2 N16 O10 -","2","1","","Yao, Junyao; Chen, Qibin; Sheng, Yujie; Kai, Aiting; Liu, Honglai","pH-controlled crystal growth of copper/gemini surfactant complexes with bipyridine groups","CrystEngComm","2017","19","39","5835","5843","10.1039/c7ce01251a","","","1.54178","CuKα","","0.1011","0.0919","","","0.2301","0.2348","","","","","","1.113","","","","has coordinates","210954","2020-10-21","18:00:00",""
"1546822","30.2435","0.0005","9.4252","0.0002","18.2742","0.0003","90","","107.545","0.001","90","","4966.76","0.16","130","","130","","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C80 H166 Br6 Cu2 N8 O12 -","- C80 H166 Br6 Cu2 N8 O12 -","- C160 H332 Br12 Cu4 N16 O24 -","2","0.5","","Yao, Junyao; Chen, Qibin; Sheng, Yujie; Kai, Aiting; Liu, Honglai","pH-controlled crystal growth of copper/gemini surfactant complexes with bipyridine groups","CrystEngComm","2017","19","39","5835","5843","10.1039/c7ce01251a","","","1.54178","CuKα","","0.0633","0.0562","","","0.1537","0.1608","","","","","","1.025","","","","has coordinates","210324","2020-10-21","18:00:00",""
"1546823","11.7603","0.0011","12.1239","0.0012","15.2286","0.0015","90","","91.3973","0.0015","90","","2170.7","0.4","93","","93","","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C19 H29 Cl2 Ir N2 O2 -","- C19 H29 Cl2 Ir N2 O2 -","- C76 H116 Cl8 Ir4 N8 O8 -","4","1","","Takahashi, Hiroyuki; Kodama, Shintaro; Ishii, Youichi","Direct transformation of 2-acetylpyridine oxime esters into α-oxygenated imines in an Ir( <scp>iii</scp> ) complex","Dalton Transactions","2017","46","36","12032","12035","10.1039/C7DT02528A","","","0.71075","MoKα","","0.0296","0.0253","","","0.0611","0.0622","","","","","","1.098","","","","has coordinates","282777","2023-04-20","11:56:48",""
"1546824","7.543","0.001","12.7445","0.0017","22.732","0.003","90","","90","","90","","2185.3","0.5","93","","93","","","","","","","","","8","P 21 21 21","P 2ac 2ab","19","","","","- C19 H25 B Cl F4 Ir N2 O2 -","- C19 H25 B Cl F4 Ir N2 O2 -","- C76 H100 B4 Cl4 F16 Ir4 N8 O8 -","4","1","","Takahashi, Hiroyuki; Kodama, Shintaro; Ishii, Youichi","Direct transformation of 2-acetylpyridine oxime esters into α-oxygenated imines in an Ir( <scp>iii</scp> ) complex","Dalton Transactions","2017","46","36","12032","12035","10.1039/C7DT02528A","","","0.71075","MoKα","","0.0315","0.0269","","","0.0528","0.0545","","","","","","0.994","","","","has coordinates","282777","2023-04-20","11:56:48",""
"1546825","17.7616","0.0004","18.096","0.0004","25.5666","0.0006","90","","109.065","0.003","90","","7766.7","0.3","150","2","150","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C78 H52 B F24 Ir N2 P2 -","- C78 H52 B F24 Ir N2 P2 -","- C312 H208 B4 F96 Ir4 N8 P8 -","4","1","","Emerson-King, Jack; Knighton, Richard C.; Gyton, Matthew R.; Chaplin, Adrian B.","Rotaxane synthesis exploiting the M( <scp>i</scp> )/M( <scp>iii</scp> ) redox couple","Dalton Transactions","2017","46","35","11645","11655","10.1039/C7DT02648J","","x-ray","0.71073","MoKα","","0.0502","0.0331","","","0.0707","0.0783","","","","","","1.022","","","","has coordinates,has disorder","282777","2023-04-20","11:56:48",""
"1546826","17.3484","0.0002","17.38548","0.00019","29.3494","0.0003","81.8139","0.0009","77.513","0.001","62.9306","0.0012","7686.07","0.17","150","2","150","2","","","","","","","","7","P -1","-P 1","2","","","","- C81 H59 B F24 Ir N2 P2 -","- C81 H59 B F24 Ir N2 P2 -","- C324 H236 B4 F96 Ir4 N8 P8 -","4","2","","Emerson-King, Jack; Knighton, Richard C.; Gyton, Matthew R.; Chaplin, Adrian B.","Rotaxane synthesis exploiting the M( <scp>i</scp> )/M( <scp>iii</scp> ) redox couple","Dalton Transactions","2017","46","35","11645","11655","10.1039/C7DT02648J","","x-ray","0.71073","MoKα","","0.0411","0.0318","","","0.0727","0.0783","","","","","","1.078","","","","has coordinates,has disorder","282777","2023-04-20","11:56:48",""
"1546827","25.683","0.0008","8.80488","0.0001","22.6553","0.0007","90","","135.53","0.006","90","","3589","0.4","150","2","150","2","","","","","","","","7","C 1 2 1","C 2y","5","","","","- C78 H52 B F24 N2 P2 Rh -","- C78 H52 B F24 N2 P2 Rh -","- C156 H104 B2 F48 N4 P4 Rh2 -","2","0.5","","Emerson-King, Jack; Knighton, Richard C.; Gyton, Matthew R.; Chaplin, Adrian B.","Rotaxane synthesis exploiting the M( <scp>i</scp> )/M( <scp>iii</scp> ) redox couple","Dalton Transactions","2017","46","35","11645","11655","10.1039/C7DT02648J","","x-ray","0.71073","MoKα","","0.0261","0.0255","","","0.067","0.0675","","","","","","1.017","","","","has coordinates","282777","2023-04-20","11:56:48",""
"1546828","12.8095","0.0002","24.9098","0.0004","19.7755","0.0003","90","","100.243","0.0016","90","","6209.45","0.17","150","2","150","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C68 H47 B F24 Ir N2 P -","- C68 H47 B F24 Ir N2 P -","- C272 H188 B4 F96 Ir4 N8 P4 -","4","1","","Emerson-King, Jack; Knighton, Richard C.; Gyton, Matthew R.; Chaplin, Adrian B.","Rotaxane synthesis exploiting the M( <scp>i</scp> )/M( <scp>iii</scp> ) redox couple","Dalton Transactions","2017","46","35","11645","11655","10.1039/C7DT02648J","","x-ray","0.71073","MoKα","","0.0278","0.0233","","","0.0533","0.0555","","","","","","1.034","","","","has coordinates,has disorder","282777","2023-04-20","11:56:48",""
"1546829","13.2601","0.0003","14.7604","0.0003","18.6577","0.0003","105.777","0.0016","101.193","0.0015","103.196","0.0017","3291.04","0.13","150","2","150","2","","","","","","","","6","P -1","-P 1","2","","","","- C142 H98 B2 F48 P4 Rh2 -","- C142 H98 B2 F48 P4 Rh2 -","- C142 H98 B2 F48 P4 Rh2 -","1","0.5","","Emerson-King, Jack; Knighton, Richard C.; Gyton, Matthew R.; Chaplin, Adrian B.","Rotaxane synthesis exploiting the M( <scp>i</scp> )/M( <scp>iii</scp> ) redox couple","Dalton Transactions","2017","46","35","11645","11655","10.1039/C7DT02648J","","x-ray","0.71073","MoKα","","0.0444","0.0383","","","0.096","0.1004","","","","","","1.029","","","","has coordinates,has disorder","282777","2023-04-20","11:56:48",""
"1546830","16.6021","0.0004","18.6428","0.0004","28.5944","0.0004","75.55","0.0015","84.8989","0.0015","65.815","0.002","7817.1","0.3","150","2","150","2","","","","","","","","8","P -1","-P 1","2","","","","- C150 H122 B2 F48 Ir N3 O8 P2 -","- C150 H122 B2 F48 Ir N3 O8 P2 -","- C300 H244 B4 F96 Ir2 N6 O16 P4 -","2","1","","Emerson-King, Jack; Knighton, Richard C.; Gyton, Matthew R.; Chaplin, Adrian B.","Rotaxane synthesis exploiting the M( <scp>i</scp> )/M( <scp>iii</scp> ) redox couple","Dalton Transactions","2017","46","35","11645","11655","10.1039/C7DT02648J","","x-ray","0.71073","MoKα","","0.0386","0.0312","","","0.0778","0.0824","","","","","","1.058","","","","has coordinates,has disorder","282777","2023-04-20","11:56:48",""
"1546831","12.7985","0.0005","24.8791","0.0009","19.8716","0.0005","90","","99.467","0.003","90","","6241.2","0.4","150","2","150","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C68 H47 B F24 N2 P Rh -","- C68 H47 B F24 N2 P Rh -","- C272 H188 B4 F96 N8 P4 Rh4 -","4","1","","Emerson-King, Jack; Knighton, Richard C.; Gyton, Matthew R.; Chaplin, Adrian B.","Rotaxane synthesis exploiting the M( <scp>i</scp> )/M( <scp>iii</scp> ) redox couple","Dalton Transactions","2017","46","35","11645","11655","10.1039/C7DT02648J","","x-ray","0.71073","MoKα","","0.0612","0.0456","","","0.1084","0.1164","","","","","","1.024","","","","has coordinates,has disorder","282777","2023-04-20","11:56:48",""
"1546832","8.6241","0.0004","12.8186","0.0006","18.8093","0.0011","90","","94.972","0.005","90","","2071.52","0.18","297.4","","297.4","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C24 H23 N O4 -","- C24 H23 N O4 -","- C96 H92 N4 O16 -","4","1","","Luo, Wenjun; Hu, Haiwen; Nian, Sanfei; Qi, Liang; Ling, Fei; Zhong, Weihui","Phosphine-catalyzed [3 + 2] annulation reaction: highly regio- and diastereoselective synthesis of 2-azaspiro[4.4]nonene-1,3-diones","Organic & Biomolecular Chemistry","2017","15","36","7523","7526","10.1039/C7OB01957B","","","0.71073","MoKα","","0.0902","0.0527","","","0.1261","0.1497","","","","","","1.022","","","","has coordinates","282777","2023-04-20","11:56:48",""
"1546833","11.8841","0.0012","15.7939","0.0017","24.186","0.003","90","","92.407","0.003","90","","4535.6","0.9","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C25 H24 N2 O3 S -","- C25 H24 N2 O3 S -","- C200 H192 N16 O24 S8 -","8","2","","Meng, Jiang; Jia, Renmeng; Leng, Jiaying; Wen, Min; Yu, Xingxin; Deng, Wei-Ping","Carbon-Carbon Bond Formation by Reaction of Rhodium Azavinylcarbenes with Secondary Amides: Access to Indigo Analogues from Isatins.","Organic letters","2017","19","17","4520","4523","10.1021/acs.orglett.7b02096","","","0.71073","MoKα","","0.1231","0.0606","","","0.1263","0.1507","","","","","","0.982","","","","has coordinates","200729","2020-10-21","18:00:00",""
"1546834","34.9801","0.0012","34.9801","0.0012","34.9801","0.0012","90","","90","","90","","42802","3","100","2","100","2","","","","","","","","4","F d -3 m","-F 4vw 2vw 3","227","","","","- C12 H6 Hf3 O16 -","- C12 H6 Hf3 O16 -","- C384 H192 Hf96 O512 -","32","","","Nguyen, Linh H. T.; Nguyen, The T.; Nguyen, Ha L.; Doan, Tan L. H.; Tran, Phuong Hoang","A new superacid hafnium-based metal–organic framework as a highly active heterogeneous catalyst for the synthesis of benzoxazoles under solvent-free conditions","Catalysis Science & Technology","2017","7","19","4346","4350","10.1039/C7CY01668A","","","0.71073","MoKα","","0.0467","0.0384","","","0.118","0.123","","","","","","1.119","","","","has coordinates","282777","2023-04-20","11:56:48",""
"1546835","34.901","0.003","34.901","0.003","34.901","0.003","90","","90","","90","","42512","6","100","2","100","2","","","","","","","","5","F d -3 m","-F 4vw 2vw 3","227","","","","- C9 H3 Hf3 O13 S6 -","- C9 H3 Hf3 O13 S6 -","- C288 H96 Hf96 O416 S192 -","32","","","Nguyen, Linh H. T.; Nguyen, The T.; Nguyen, Ha L.; Doan, Tan L. H.; Tran, Phuong Hoang","A new superacid hafnium-based metal–organic framework as a highly active heterogeneous catalyst for the synthesis of benzoxazoles under solvent-free conditions","Catalysis Science & Technology","2017","7","19","4346","4350","10.1039/C7CY01668A","","","0.71073","MoKα","","0.0602","0.051","","","0.1461","0.1518","","","","","","1.383","","","","has coordinates","282777","2023-04-20","11:56:49",""
"1546836","26.1715","0.0002","26.1715","0.0002","15.3862","0.0001","90","","90","","120","","9126.81","0.12","293","2","293","2","","","","","","","","6","P -3 1 c","-P 3 2c","163","","","","- C0 H18 B69 Mg7 N0 O126 -","- B69 H18 Mg7 O126 -","- B138 H36 Mg14 O252 -","2","0.166667","","Wang, Jia-Jia; Yang, Guo-Yu","A novel supramolecular magnesoborate framework with snowflake-like channels built by unprecedented huge B <sub>69</sub> cluster cages","Chemical Communications","2017","53","75","10398","10401","10.1039/C7CC05404A","","","1.54178","CuKα","","0.0524","0.0488","","","0.1412","0.1438","","","","","","1.072","","","","has coordinates","282777","2023-04-20","11:56:49",""
"1546837","9.785","0.003","7.3055","0.0019","9.929","0.003","90","","118.84","0.002","90","","621.7","0.3","296","2","296","2","","","","","","","","3","P 1 21 1","P 2yb","4","S-Sumanene","S-Sumanene","","- C18 H6 S3 -","- C18 H6 S3 -","- C36 H12 S6 -","2","1","","Tan, Qitao; Zhou, Dandan; Zhang, Tao; Liu, Bingxin; Xu, Bin","Iodine-doped sumanene and its application for the synthesis of chalcogenasumanenes and silasumanenes","Chemical Communications","2017","53","74","10279","10282","10.1039/C7CC05885C","","","0.71073","MoKα","","0.0361","0.0317","","","0.07","0.0732","","","","","","1.045","","","","has coordinates","282777","2023-04-20","11:56:49",""
"1546838","12.04","0.0014","20.685","0.002","18.893","0.002","90","","93.345","0.002","90","","4697.2","0.9","296","2","296","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","Si-Sum","Si-Sumanene","","- C24 H24 Si3 -","- C24 H24 Si3 -","- C192 H192 Si24 -","8","2","","Tan, Qitao; Zhou, Dandan; Zhang, Tao; Liu, Bingxin; Xu, Bin","Iodine-doped sumanene and its application for the synthesis of chalcogenasumanenes and silasumanenes","Chemical Communications","2017","53","74","10279","10282","10.1039/C7CC05885C","","","0.71073","MoKα","","0.1372","0.0557","","","0.1687","0.2445","","","","","","0.806","","","","has coordinates","282777","2023-04-20","11:56:49",""
"1546839","19.3615","0.0001","19.3615","0.0001","14.1645","0.0002","90","","90","","90","","5309.81","0.08","120","0.1","120","0.1","","","","","","","","6","P 43 21 2","P 4nw 2abw","96","","","","- C20.5 H14 N5.5 O9.5 S2 Zn2 -","- C16 H4 N4 O8 S2 Zn2 -","- C128 H32 N32 O64 S16 Zn16 -","8","1","","Han, Xiao; Cheng, Qing; Meng, Xiangru; Shao, Zhichao; Ma, Ke; Wei, Donghui; Ding, Jie; Hou, Hongwei","Unique structural micro-adjustments in a new benzothiadiazole-derived Zn( <scp>ii</scp> ) metal organic framework via simple photochemical decarboxylation","Chemical Communications","2017","53","74","10314","10317","10.1039/C7CC06125K","","","1.54184","CuKα","","0.0486","0.0416","","","0.1089","0.1126","","","","","","1.039","","","","has coordinates,has disorder","282777","2023-04-20","11:56:49",""
"1546840","19.3938","0.0001","19.3938","0.0001","14.1496","0.0001","90","","90","","90","","5321.94","0.05","119.99","0.1","119.99","0.1","","","","","","","","6","P 43 21 2","P 4nw 2abw","96","","","","- C20.5 H14 N5.5 O9.5 S2 Zn2 -","- C16 H4 N4 O8 S2 Zn2 -","- C128 H32 N32 O64 S16 Zn16 -","8","1","","Han, Xiao; Cheng, Qing; Meng, Xiangru; Shao, Zhichao; Ma, Ke; Wei, Donghui; Ding, Jie; Hou, Hongwei","Unique structural micro-adjustments in a new benzothiadiazole-derived Zn( <scp>ii</scp> ) metal organic framework via simple photochemical decarboxylation","Chemical Communications","2017","53","74","10314","10317","10.1039/C7CC06125K","","","1.54184","CuKα","","0.0298","0.0286","","","0.0738","0.0745","","","","","","1.071","","","","has coordinates,has disorder","282777","2023-04-20","11:56:49",""
"1546841","19.3596","0.0014","19.3596","0.0014","14.1336","0.0015","90","","90","","90","","5297.2","0.8","120","2","120","2","","","","","","","","6","P 43 21 2","P 4nw 2abw","96","","","","- C20.5 H14 N5.5 O9.5 S2 Zn2 -","- C16 H4 N4 O8 S2 Zn2 -","- C128 H32 N32 O64 S16 Zn16 -","8","1","","Han, Xiao; Cheng, Qing; Meng, Xiangru; Shao, Zhichao; Ma, Ke; Wei, Donghui; Ding, Jie; Hou, Hongwei","Unique structural micro-adjustments in a new benzothiadiazole-derived Zn( <scp>ii</scp> ) metal organic framework via simple photochemical decarboxylation","Chemical Communications","2017","53","74","10314","10317","10.1039/C7CC06125K","","","1.54184","CuKα","","0.0357","0.0332","","","0.0881","0.0894","","","","","","1.069","","","","has coordinates,has disorder","282777","2023-04-20","11:56:49",""
"1546842","28.9068","0.0004","7.9025","0.0001","8.9889","0.0001","90","","90","","90","","2053.39","0.04","100.01","0.1","100.01","0.1","","","","","","","","4","P n a 21","P 2c -2n","33","","","","- C24 H20 N2 O6 -","- C24 H20 N2 O6 -","- C96 H80 N8 O24 -","4","1","","Preindl, Johannes; Chakrabarty, Shyamal; Waser, Jérôme","Dearomatization of electron poor six-membered N-heterocycles through [3 + 2] annulation with aminocyclopropanes","Chemical Science","2017","8","10","7112","7118","10.1039/C7SC03197A","","x-ray","1.54184","CuKα","","0.0243","0.0236","","","0.0639","0.0645","","","","","","1.059","","","","has coordinates","282777","2023-04-20","11:56:49",""
"1546843","8.233","0.0008","9.737","0.0008","10.4837","0.001","107.355","0.003","101.071","0.004","111.799","0.003","699.98","0.12","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C14 H13 N O6 Zn -","- C14 H13 N O6 Zn -","- C28 H26 N2 O12 Zn2 -","2","1","","Liu, Feng; Gao, Wei; Zhang, Xiu-Mei; Liu, Jie-Ping; Gao, En-Qing","Four coordination polymers based on dinuclear and trinuclear units with a new multifunctional pyridyl-dicarboxylate ligand: luminescence and magnetic properties","CrystEngComm","2017","19","38","5755","5763","10.1039/C7CE01042G","","","0.71073","MoKα","","0.0329","0.0282","","","0.0682","0.0707","","","","","","1.054","","","","has coordinates","282777","2023-04-20","11:56:49",""
"1546844","18.019","0.003","7.671","0.0012","23.088","0.003","90","","90","","90","","3191.3","0.8","293","2","293","2","","","","","","","","6","P b c a","-P 2ac 2ab","61","","","","- C28 H24 Cl2 Mn3 N2 O11 -","- C28 H22 Cl2 Mn3 N2 O11 -","- C112 H88 Cl8 Mn12 N8 O44 -","4","0.5","","Liu, Feng; Gao, Wei; Zhang, Xiu-Mei; Liu, Jie-Ping; Gao, En-Qing","Four coordination polymers based on dinuclear and trinuclear units with a new multifunctional pyridyl-dicarboxylate ligand: luminescence and magnetic properties","CrystEngComm","2017","19","38","5755","5763","10.1039/C7CE01042G","","","0.71073","MoKα","","0.0474","0.036","","","0.0815","0.0858","","","","","","1.099","","","","has coordinates,has disorder","282777","2023-04-20","11:56:49",""
"1546845","8.0042","0.0002","11.5133","0.0003","17.4969","0.0005","90","","114.231","0.001","90","","1470.37","0.07","293","2","293","2","","","","","","","","5","P 1 2/c 1","-P 2yc","13","","","","- C28 H22 N4 Ni3 O16 -","- C28 H22 N4 Ni3 O16 -","- C56 H44 N8 Ni6 O32 -","2","0.5","","Liu, Feng; Gao, Wei; Zhang, Xiu-Mei; Liu, Jie-Ping; Gao, En-Qing","Four coordination polymers based on dinuclear and trinuclear units with a new multifunctional pyridyl-dicarboxylate ligand: luminescence and magnetic properties","CrystEngComm","2017","19","38","5755","5763","10.1039/C7CE01042G","","","0.71073","MoKα","","0.0432","0.0336","","","0.0797","0.0843","","","","","","1.051","","","","has coordinates","282777","2023-04-20","11:56:49",""
"1546846","18.151","0.0009","11.5168","0.0005","15.9081","0.0008","90","","117.996","0.002","90","","2936.3","0.2","293","2","293","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C28 H22 Co3 N4 O16 -","- C28 H22 Co3 N4 O16 -","- C112 H88 Co12 N16 O64 -","4","0.5","","Liu, Feng; Gao, Wei; Zhang, Xiu-Mei; Liu, Jie-Ping; Gao, En-Qing","Four coordination polymers based on dinuclear and trinuclear units with a new multifunctional pyridyl-dicarboxylate ligand: luminescence and magnetic properties","CrystEngComm","2017","19","38","5755","5763","10.1039/C7CE01042G","","","0.71073","MoKα","","0.066","0.0413","","","0.0885","0.0973","","","","","","1.008","","","","has coordinates","282777","2023-04-20","11:56:49",""
"1546847","26.783","0.003","10.9091","0.001","28.532","0.004","90","","145.631","0.006","90","","4706.1","1.2","103","4","103","4","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C32 H20 Cd Cl2 N8 O9 -","- C32 H20 Cd Cl2 N8 O9 -","- C128 H80 Cd4 Cl8 N32 O36 -","4","0.5","","Wu, Xiang-Wen; Pan, Feng; Zhang, Dong; Jin, Guo-Xia; Ma, Jian-Ping","Self-assembly of new M( <scp>ii</scp> ) coordination polymers based on asymmetric 1,3,4-oxadiazole-containing ligands: effect of counterions and magnetic properties","CrystEngComm","2017","19","39","5864","5872","10.1039/C7CE01379E","","","0.71073","MoKα","","0.1372","0.1049","","","0.3075","0.3391","","","","","","1.173","","","","has coordinates","282777","2023-04-20","11:56:49",""
"1546848","7.8558","0.0003","13.5861","0.0005","31.5006","0.0014","90","","90","","90","","3362","0.2","289","0.5","289","0.5","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C16 H10 N6 O7 Zn -","- C16 H10 N6 O7 Zn -","- C128 H80 N48 O56 Zn8 -","8","1","","Wu, Xiang-Wen; Pan, Feng; Zhang, Dong; Jin, Guo-Xia; Ma, Jian-Ping","Self-assembly of new M( <scp>ii</scp> ) coordination polymers based on asymmetric 1,3,4-oxadiazole-containing ligands: effect of counterions and magnetic properties","CrystEngComm","2017","19","39","5864","5872","10.1039/C7CE01379E","","","0.7107","MoKα","","0.0566","0.0401","","","0.0926","0.1031","","","","","","1.088","","","","has coordinates","282777","2023-04-20","11:56:49",""
"1546849","7.838","0.003","13.665","0.008","30.941","0.007","90","","90","","90","","3314","2","289.73","0.11","289.73","0.11","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C128 H80 Cu8 N48 O56 -","- C128 H80 Cu8 N48 O56 -","- C128 H80 Cu8 N48 O56 -","1","0.125","","Wu, Xiang-Wen; Pan, Feng; Zhang, Dong; Jin, Guo-Xia; Ma, Jian-Ping","Self-assembly of new M( <scp>ii</scp> ) coordination polymers based on asymmetric 1,3,4-oxadiazole-containing ligands: effect of counterions and magnetic properties","CrystEngComm","2017","19","39","5864","5872","10.1039/C7CE01379E","","","0.71073","MoKα","","0.2257","0.103","","","0.2286","0.2927","","","","","","1.07","","","","has coordinates","282777","2023-04-20","11:56:49",""
"1546850","9.5455","0.0004","13.8394","0.0006","17.274","0.0008","90","","102.492","0.004","90","","2227.94","0.17","289.5","0.1","289.5","0.1","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C17 H11 Cd Cl3 N6 O7 -","- C17 H11 Cd Cl3 N6 O7 -","- C68 H44 Cd4 Cl12 N24 O28 -","4","1","","Wu, Xiang-Wen; Pan, Feng; Zhang, Dong; Jin, Guo-Xia; Ma, Jian-Ping","Self-assembly of new M( <scp>ii</scp> ) coordination polymers based on asymmetric 1,3,4-oxadiazole-containing ligands: effect of counterions and magnetic properties","CrystEngComm","2017","19","39","5864","5872","10.1039/C7CE01379E","","","0.7107","MoKα","","0.0489","0.0341","","","0.0638","0.0714","","","","","","1.049","","","","has coordinates","282777","2023-04-20","11:56:49",""
"1546851","17.3051","0.0005","8.1682","0.0002","12.9742","0.0004","90","","108.332","0.003","90","","1740.85","0.09","288.88","0.16","288.88","0.16","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C16 H10 Cd N6 O7 -","- C16 H10 Cd N6 O7 -","- C64 H40 Cd4 N24 O28 -","4","1","","Wu, Xiang-Wen; Pan, Feng; Zhang, Dong; Jin, Guo-Xia; Ma, Jian-Ping","Self-assembly of new M( <scp>ii</scp> ) coordination polymers based on asymmetric 1,3,4-oxadiazole-containing ligands: effect of counterions and magnetic properties","CrystEngComm","2017","19","39","5864","5872","10.1039/C7CE01379E","","","0.7107","MoKα","","0.0397","0.0293","","","0.0595","0.0663","","","","","","1.093","","","","has coordinates","282777","2023-04-20","11:56:49",""
"1546852","30.6123","0.001","30.6123","0.001","29.4707","0.0012","90","","90","","120","","23917.3","1.5","108","11","108","11","","","","","","","","6","R -3","-R 3","148","","","","- C32 H20 Cl2 Cu N8 O10 -","- C32 H20 Cl2 Cu N8 O10 -","- C576 H360 Cl36 Cu18 N144 O180 -","18","","","Wu, Xiang-Wen; Pan, Feng; Zhang, Dong; Jin, Guo-Xia; Ma, Jian-Ping","Self-assembly of new M( <scp>ii</scp> ) coordination polymers based on asymmetric 1,3,4-oxadiazole-containing ligands: effect of counterions and magnetic properties","CrystEngComm","2017","19","39","5864","5872","10.1039/C7CE01379E","","","0.71073","MoKα","","0.1369","0.1114","","","0.3184","0.3363","","","","","","1.095","","","","has coordinates","282777","2023-04-20","11:56:49",""
"1546853","8.4719","0.0005","18.6483","0.001","41.05","0.002","90","","93.604","0.004","90","","6472.5","0.6","100","2","100","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C33 H25 F6 Ir N7 P -","- C33 H25 F6 Ir N7 P -","- C264 H200 F48 Ir8 N56 P8 -","8","2","","Fiorini, Valentina; Zanoni, Ilaria; Zacchini, Stefano; Costa, Anna Luisa; Hochkoeppler, Alejandro; Zanotti, Valerio; Ranieri, Anna Maria; Massi, Massimiliano; Stefan, Alessandra; Stagni, Stefano","Methylation of Ir( <scp>iii</scp> )-tetrazolato complexes: an effective route to modulate the emission outputs and to switch to antimicrobial properties","Dalton Transactions","2017","46","36","12328","12338","10.1039/C7DT02352A","","","0.71073","MoKα","","0.1711","0.0817","","","0.1483","0.1826","","","","","","1.026","","","","has coordinates","282777","2023-04-20","11:56:49",""
"1546854","16.992","0.003","11.9864","0.0019","17.811","0.003","90","","96.203","0.003","90","","3606.4","1","100","2","100","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C31 H23 Cl4 F10 Ir N7 P -","- C31 H23 Cl4 F10 Ir N7 P -","- C124 H92 Cl16 F40 Ir4 N28 P4 -","4","1","","Fiorini, Valentina; Zanoni, Ilaria; Zacchini, Stefano; Costa, Anna Luisa; Hochkoeppler, Alejandro; Zanotti, Valerio; Ranieri, Anna Maria; Massi, Massimiliano; Stefan, Alessandra; Stagni, Stefano","Methylation of Ir( <scp>iii</scp> )-tetrazolato complexes: an effective route to modulate the emission outputs and to switch to antimicrobial properties","Dalton Transactions","2017","46","36","12328","12338","10.1039/C7DT02352A","","","0.71073","MoKα","","0.1056","0.0857","","","0.212","0.2325","","","","","","1.078","","","","has coordinates","282777","2023-04-20","11:56:49",""
"1546855","10.1798","0.0007","21.5492","0.0015","15.7661","0.0011","90","","98.325","0.002","90","","3422.1","0.4","100","2","100","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C38 H31 Ir N10 -","- C38 H31 Ir N10 -","- C152 H124 Ir4 N40 -","4","1","","Fiorini, Valentina; Zanoni, Ilaria; Zacchini, Stefano; Costa, Anna Luisa; Hochkoeppler, Alejandro; Zanotti, Valerio; Ranieri, Anna Maria; Massi, Massimiliano; Stefan, Alessandra; Stagni, Stefano","Methylation of Ir( <scp>iii</scp> )-tetrazolato complexes: an effective route to modulate the emission outputs and to switch to antimicrobial properties","Dalton Transactions","2017","46","36","12328","12338","10.1039/C7DT02352A","","","0.71073","MoKα","","0.0266","0.0219","","","0.0511","0.053","","","","","","1.073","","","","has coordinates,has disorder","282777","2023-04-20","11:56:49",""
"1546856","23.6329","0.0011","16.0739","0.0007","27.4246","0.0011","90","","112.38","0.005","90","","9633.2","0.8","295","2","295","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C86 H118 N6 O24 Ti6 -","- C86 H118 N6 O24 Ti6 -","- C344 H472 N24 O96 Ti24 -","4","0.5","","Lv, Hai-Ting; Cui, Ying; Zhang, Yu-Min; Li, Hua-Min; Zou, Guo-Dong; Duan, Rui-Huan; Cao, Jun-Tao; Jing, Qiang-Shan; Fan, Yang","A 4-dimethylaminobenzoate-functionalized Ti <sub>6</sub> -oxo cluster with a narrow band gap and enhanced photoelectrochemical activity: a combined experimental and computational study","Dalton Transactions","2017","46","36","12313","12319","10.1039/C7DT02650A","","","0.71073","MoKα","","0.0772","0.0556","","","0.135","0.1528","","","","","","1.071","","","","has coordinates,has disorder","282777","2023-04-20","11:56:49",""
"1546857","23.3256","0.0012","19.2083","0.001","18.3696","0.001","90","","110.276","0.006","90","","7720.4","0.8","295","2","295","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C52 H110 O25 Ti6 -","- C52 H110 O25 Ti6 -","- C208 H440 O100 Ti24 -","4","0.5","","Lv, Hai-Ting; Cui, Ying; Zhang, Yu-Min; Li, Hua-Min; Zou, Guo-Dong; Duan, Rui-Huan; Cao, Jun-Tao; Jing, Qiang-Shan; Fan, Yang","A 4-dimethylaminobenzoate-functionalized Ti <sub>6</sub> -oxo cluster with a narrow band gap and enhanced photoelectrochemical activity: a combined experimental and computational study","Dalton Transactions","2017","46","36","12313","12319","10.1039/C7DT02650A","","","0.71073","MoKα","","0.0959","0.061","","","0.1466","0.1729","","","","","","1.044","","","","has coordinates,has disorder","282777","2023-04-20","11:56:49",""
"1546858","15.6777","0.0006","16.488","0.0006","18.4096","0.0007","90","","103.72","0.004","90","","4623","0.3","295","2","295","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C84 H132 O24 Ti6 -","- C84 H132 O24 Ti6 -","- C168 H264 O48 Ti12 -","2","0.5","","Lv, Hai-Ting; Cui, Ying; Zhang, Yu-Min; Li, Hua-Min; Zou, Guo-Dong; Duan, Rui-Huan; Cao, Jun-Tao; Jing, Qiang-Shan; Fan, Yang","A 4-dimethylaminobenzoate-functionalized Ti <sub>6</sub> -oxo cluster with a narrow band gap and enhanced photoelectrochemical activity: a combined experimental and computational study","Dalton Transactions","2017","46","36","12313","12319","10.1039/C7DT02650A","","","0.71073","MoKα","","0.1114","0.0765","","","0.2069","0.2399","","","","","","1.037","","","","has coordinates,has disorder","282777","2023-04-20","11:56:49",""
"1546859","14.8097","0.0008","7.5317","0.0003","9.9117","0.0004","90","","123.617","0.005","90","","920.67","0.09","293","2","293","2","","","","","","","","5","C 1 2/m 1","-C 2y","12","","","","- C4 H8 Ag I2 N -","- C4 H8 Ag I2 N -","- C16 H32 Ag4 I8 N4 -","4","0.5","","Liu, Guang-Ning; Zhang, Xu; Wang, Hong-Mei; Xu, Hong; Wang, Zi-Han; Meng, Xiang-Long; Dong, Ya-Nan; Zhao, Ruo-Yu; Li, Cuncheng","Do alkyl groups on aromatic or aliphatic structure directing agents affect water stabilities and properties of hybrid iodoargentates?","Dalton Transactions","2017","46","37","12474","12486","10.1039/C7DT02152F","","","0.71073","MoKα","","0.0342","0.0293","","","0.0719","0.0752","","","","","","1.035","","","","has coordinates","282777","2023-04-20","11:56:49",""
"1546860","12.8812","0.001","25.6384","0.0015","8.4883","0.0006","90","","108.577","0.008","90","","2657.2","0.3","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C20 H20 Ag3 I4 P -","- C20 H20 Ag3 I4 P -","- C80 H80 Ag12 I16 P4 -","4","1","","Liu, Guang-Ning; Zhang, Xu; Wang, Hong-Mei; Xu, Hong; Wang, Zi-Han; Meng, Xiang-Long; Dong, Ya-Nan; Zhao, Ruo-Yu; Li, Cuncheng","Do alkyl groups on aromatic or aliphatic structure directing agents affect water stabilities and properties of hybrid iodoargentates?","Dalton Transactions","2017","46","37","12474","12486","10.1039/C7DT02152F","","","0.71073","MoKα","","0.083","0.0673","","","0.1826","0.1936","","","","","","0.995","","","","has coordinates","282777","2023-04-20","11:56:49",""
"1546861","13.1581","0.0005","25.7903","0.0011","8.5598","0.0003","90","","108.903","0.004","90","","2748.1","0.2","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C21 H22 Ag3 I4 P -","- C21 H22 Ag3 I4 P -","- C84 H88 Ag12 I16 P4 -","4","1","","Liu, Guang-Ning; Zhang, Xu; Wang, Hong-Mei; Xu, Hong; Wang, Zi-Han; Meng, Xiang-Long; Dong, Ya-Nan; Zhao, Ruo-Yu; Li, Cuncheng","Do alkyl groups on aromatic or aliphatic structure directing agents affect water stabilities and properties of hybrid iodoargentates?","Dalton Transactions","2017","46","37","12474","12486","10.1039/C7DT02152F","","","0.71073","MoKα","","0.0478","0.0374","","","0.1132","0.1215","","","","","","1.005","","","","has coordinates","282777","2023-04-20","11:56:49",""
"1546862","14.977","0.0006","27.1022","0.0012","7.9818","0.0003","90","","97.423","0.003","90","","3212.7","0.2","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C21 H22 Ag5 I6 P -","- C21 H22 Ag5 I6 P -","- C84 H88 Ag20 I24 P4 -","4","1","","Liu, Guang-Ning; Zhang, Xu; Wang, Hong-Mei; Xu, Hong; Wang, Zi-Han; Meng, Xiang-Long; Dong, Ya-Nan; Zhao, Ruo-Yu; Li, Cuncheng","Do alkyl groups on aromatic or aliphatic structure directing agents affect water stabilities and properties of hybrid iodoargentates?","Dalton Transactions","2017","46","37","12474","12486","10.1039/C7DT02152F","","","0.71073","MoKα","","0.0517","0.0388","","","0.0816","0.0894","","","","","","1.032","","","","has coordinates","282777","2023-04-20","11:56:49",""
"1546863","9.2674","0.0003","12.5749","0.0005","14.8451","0.0005","90","","99.039","0.003","90","","1708.51","0.11","293","2","293","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C12 H40 Ag2 I8 N6 O2 -","- C12 H40 Ag2 I8 N6 O2 -","- C24 H80 Ag4 I16 N12 O4 -","2","0.5","","Liu, Guang-Ning; Zhang, Xu; Wang, Hong-Mei; Xu, Hong; Wang, Zi-Han; Meng, Xiang-Long; Dong, Ya-Nan; Zhao, Ruo-Yu; Li, Cuncheng","Do alkyl groups on aromatic or aliphatic structure directing agents affect water stabilities and properties of hybrid iodoargentates?","Dalton Transactions","2017","46","37","12474","12486","10.1039/C7DT02152F","","","0.71073","MoKα","","0.0305","0.0233","","","0.0475","0.0507","","","","","","0.995","","","","has coordinates","282777","2023-04-20","11:56:49",""
"1546864","16.055","0.006","20.351","0.009","22.103","0.007","90","","96.976","0.012","90","","7168","5","200","","200","","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","[HgI2(IM1)2][Hg2I6]-2H2O","","- C52 H66 Hg3 I8 N8 O8 -","- C52 H60 Hg3 I8 N8 O8 -","- C208 H240 Hg12 I32 N32 O32 -","4","0.5","","Huang, Yong-Qing; Zhao, Yue; Wang, Peng; Okamura, Taka-aki; Laforteza, Brian N.; Lu, Yi; Sun, Wei-Yin; Yu, Jin-Quan","One-pot synthesis of imidazolinium salts via the ring opening of tetrahydrofuran","Dalton Transactions","2017","46","37","12430","12433","10.1039/C7DT02883K","","","0.71075","MoKα","","0.1109","0.0912","","","0.2039","0.2116","","","","","","1.168","","","","has coordinates,has disorder","282777","2023-04-20","11:56:49",""
"1546865","18.835","0.011","9.183","0.005","9.479","0.005","90","","90","","90","","1639.5","1.6","293","2","293","2","","","","","","","","5","P c c a","-P 2a 2ac","54","","","","- F8 Fe2 Li5 O4 P -","- F8 Fe2 Li5 O4 P -","- F64 Fe16 Li40 O32 P8 -","8","1","","Yaghoobnejad Asl, Hooman; Ghosh, Kartik; Choudhury, Amitava","A highly fluorinated lithium iron phosphate with interpenetrating lattices: electrochemistry and ionic conductivity","Dalton Transactions","2017","46","37","12588","12596","10.1039/C7DT02202F","","","0.71073","MoKα","","0.0296","0.026","","","0.0737","0.076","","","","","","1.205","","","","has coordinates","282777","2023-04-20","11:56:49",""
"1546866","18.2854","0.0007","12.6822","0.0004","16.6662","0.0005","90","","97.946","0.004","90","","3827.8","0.2","128.45","0.1","128.45","0.1","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C31 H24 Dy F15 N2 Ni O12 -","- C31 H24 Dy F15 N2 Ni O12 -","- C124 H96 Dy4 F60 N8 Ni4 O48 -","4","1","","Jiang, Lin; Liu, Yue; Liu, Xin; Tian, Jinlei; Yan, Shiping","Three series of heterometallic Ni <sup>II</sup> –Ln <sup>III</sup> Schiff base complexes: synthesis, crystal structures and magnetic characterization","Dalton Transactions","2017","46","37","12558","12573","10.1039/C7DT02351K","","x-ray","0.71073","MoKα","","0.0835","0.0609","","","0.1085","0.1188","","","","","","1.079","","","","has coordinates","282777","2023-04-20","11:56:49",""
"1546867","12.856","0.003","14.164","0.003","17.346","0.004","90","","92.55","0.03","90","","3155.4","1.2","127.1","0.4","128.6","0.1","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C48 H58 N4 Ni2 O22 Yb2 -","- C48 H58 N4 Ni2 O22 Yb2 -","- C96 H116 N8 Ni4 O44 Yb4 -","2","0.5","","Jiang, Lin; Liu, Yue; Liu, Xin; Tian, Jinlei; Yan, Shiping","Three series of heterometallic Ni <sup>II</sup> –Ln <sup>III</sup> Schiff base complexes: synthesis, crystal structures and magnetic characterization","Dalton Transactions","2017","46","37","12558","12573","10.1039/C7DT02351K","","","0.71073","MoKα","","0.0394","0.0314","","","0.07","0.0755","","","","","","1.052","","","","has coordinates","282777","2023-04-20","11:56:49",""
"1546868","12.97","0.003","14.473","0.003","17.537","0.004","90","","90.72","0.03","90","","3291.7","1.3","293.15","","293.15","","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C48 H58 N4 Ni2 O22 Tm2 -","- C48 H58 N4 Ni2 O22 Tm2 -","- C96 H116 N8 Ni4 O44 Tm4 -","2","0.5","","Jiang, Lin; Liu, Yue; Liu, Xin; Tian, Jinlei; Yan, Shiping","Three series of heterometallic Ni <sup>II</sup> –Ln <sup>III</sup> Schiff base complexes: synthesis, crystal structures and magnetic characterization","Dalton Transactions","2017","46","37","12558","12573","10.1039/C7DT02351K","","","0.710747","MoKα","","0.041","0.0363","","","0.0928","0.0955","","","","","","1.043","","","","has coordinates","282777","2023-04-20","11:56:49",""
"1546869","11.289","0.0004","12.7006","0.0004","23.3948","0.0008","82.054","0.003","83.489","0.003","76.859","0.003","3223.38","0.19","127.6","0.1","127.6","0.1","","","","","","","","7","P -1","-P 1","2","","","","- C66 H57 Cl4 N2 Ni O11 Tb -","- C66 H57 Cl4 N2 Ni O11 Tb -","- C132 H114 Cl8 N4 Ni2 O22 Tb2 -","2","1","","Jiang, Lin; Liu, Yue; Liu, Xin; Tian, Jinlei; Yan, Shiping","Three series of heterometallic Ni <sup>II</sup> –Ln <sup>III</sup> Schiff base complexes: synthesis, crystal structures and magnetic characterization","Dalton Transactions","2017","46","37","12558","12573","10.1039/C7DT02351K","","","0.71073","MoKα","","0.0513","0.0419","","","0.0847","0.0903","","","","","","1.035","","","","has coordinates,has disorder","282777","2023-04-20","11:56:49",""
"1546870","12.906","0.003","14.263","0.003","17.352","0.004","90","","92.13","0.03","90","","3191.9","1.2","128.35","0.1","128.35","0.1","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C48 H58 Ho2 N4 Ni2 O22 -","- C48 H58 Ho2 N4 Ni2 O22 -","- C96 H116 Ho4 N8 Ni4 O44 -","2","0.5","","Jiang, Lin; Liu, Yue; Liu, Xin; Tian, Jinlei; Yan, Shiping","Three series of heterometallic Ni <sup>II</sup> –Ln <sup>III</sup> Schiff base complexes: synthesis, crystal structures and magnetic characterization","Dalton Transactions","2017","46","37","12558","12573","10.1039/C7DT02351K","","","0.71073","MoKα","","0.0371","0.0317","","","0.0694","0.0729","","","","","","1.038","","","","has coordinates","282777","2023-04-20","11:56:49",""
"1546871","12.95","0.003","14.299","0.003","17.45","0.004","90","","91.61","0.03","90","","3230","1.3","130.45","0.1","130.45","0.1","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C48 H58 N4 Ni2 O22 Tb2 -","- C48 H58 N4 Ni2 O22 Tb2 -","- C96 H116 N8 Ni4 O44 Tb4 -","2","0.5","","Jiang, Lin; Liu, Yue; Liu, Xin; Tian, Jinlei; Yan, Shiping","Three series of heterometallic Ni <sup>II</sup> –Ln <sup>III</sup> Schiff base complexes: synthesis, crystal structures and magnetic characterization","Dalton Transactions","2017","46","37","12558","12573","10.1039/C7DT02351K","","","0.71073","MoKα","","0.0419","0.0373","","","0.0998","0.1046","","","","","","1.082","","","","has coordinates","282777","2023-04-20","11:56:49",""
"1546872","12.869","0.003","14.249","0.003","17.379","0.004","90","","92.38","0.03","90","","3184","1.2","128.6","0.1","128.6","0.1","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C48 H58 Dy2 N4 Ni2 O22 -","- C48 H58 Dy2 N4 Ni2 O22 -","- C96 H116 Dy4 N8 Ni4 O44 -","2","0.5","","Jiang, Lin; Liu, Yue; Liu, Xin; Tian, Jinlei; Yan, Shiping","Three series of heterometallic Ni <sup>II</sup> –Ln <sup>III</sup> Schiff base complexes: synthesis, crystal structures and magnetic characterization","Dalton Transactions","2017","46","37","12558","12573","10.1039/C7DT02351K","","","0.71073","MoKα","","0.0328","0.0282","","","0.0663","0.069","","","","","","1.068","","","","has coordinates","282777","2023-04-20","11:56:49",""
"1546873","18.293","0.004","12.677","0.002","16.658","0.003","90","","97.715","0.005","90","","3828","1.2","113","","113","","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C31 H24 F15 Gd N2 Ni O12 -","- C31 H24 F15 Gd N2 Ni O12 -","- C124 H96 F60 Gd4 N8 Ni4 O48 -","4","1","","Jiang, Lin; Liu, Yue; Liu, Xin; Tian, Jinlei; Yan, Shiping","Three series of heterometallic Ni <sup>II</sup> –Ln <sup>III</sup> Schiff base complexes: synthesis, crystal structures and magnetic characterization","Dalton Transactions","2017","46","37","12558","12573","10.1039/C7DT02351K","","","0.71075","CuKα","","0.0788","0.0738","","","0.2102","0.2135","","","","","","1.087","","","","has coordinates","282777","2023-04-20","11:56:49",""
"1546874","11.2556","0.0016","12.667","0.002","23.339","0.004","82.268","0.015","83.837","0.011","77.065","0.011","3203.3","0.9","113","","113","","","","","","","","","7","P -1","-P 1","2","","","","- C66 H60 Cl4 Gd N2 Ni O11 -","- C66 H60 Cl4 Gd N2 Ni O11 -","- C132 H120 Cl8 Gd2 N4 Ni2 O22 -","2","1","","Jiang, Lin; Liu, Yue; Liu, Xin; Tian, Jinlei; Yan, Shiping","Three series of heterometallic Ni <sup>II</sup> –Ln <sup>III</sup> Schiff base complexes: synthesis, crystal structures and magnetic characterization","Dalton Transactions","2017","46","37","12558","12573","10.1039/C7DT02351K","","","0.71075","MoKα","","0.037","0.0334","","","0.0829","0.0844","","","","","","1.1","","","","has coordinates","282777","2023-04-20","11:56:49",""
"1546875","18.242","0.002","12.6901","0.0014","16.631","0.0019","90","","97.744","0.002","90","","3814.8","0.7","113","2","113","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C31 H24 Eu F15 N2 Ni O12 -","- C31 H24 Eu F15 N2 Ni O12 -","- C124 H96 Eu4 F60 N8 Ni4 O48 -","4","1","","Jiang, Lin; Liu, Yue; Liu, Xin; Tian, Jinlei; Yan, Shiping","Three series of heterometallic Ni <sup>II</sup> –Ln <sup>III</sup> Schiff base complexes: synthesis, crystal structures and magnetic characterization","Dalton Transactions","2017","46","37","12558","12573","10.1039/C7DT02351K","","","0.71073","MoKα","","0.0786","0.0727","","","0.2775","0.2836","","","","","","1.017","","","","has coordinates","282777","2023-04-20","11:56:49",""
"1546876","11.2622","0.0008","12.6894","0.0011","23.49","0.002","81.784","0.004","83.709","0.004","76.878","0.004","3225.4","0.5","113","2","113","2","","","","","","","","7","P -1","-P 1","2","","","","- C66 H57 Cl4 Eu N2 Ni O11 -","- C66 H57 Cl4 Eu N2 Ni O11 -","- C132 H114 Cl8 Eu2 N4 Ni2 O22 -","2","1","","Jiang, Lin; Liu, Yue; Liu, Xin; Tian, Jinlei; Yan, Shiping","Three series of heterometallic Ni <sup>II</sup> –Ln <sup>III</sup> Schiff base complexes: synthesis, crystal structures and magnetic characterization","Dalton Transactions","2017","46","37","12558","12573","10.1039/C7DT02351K","","","0.71075","MoKα","","0.0654","0.062","","","0.1858","0.1878","","","","","","1.072","","","","has coordinates","282777","2023-04-20","11:56:49",""
"1546877","11.277","0.0004","12.697","0.0005","23.3931","0.0008","81.822","0.003","83.284","0.003","76.675","0.003","3213.9","0.2","128.75","0.1","128.75","0.1","","","","","","","","7","P -1","-P 1","2","","","","- C66 H57 Cl4 Ho N2 Ni O11 -","- C66 H57 Cl4 Ho N2 Ni O11 -","- C132 H114 Cl8 Ho2 N4 Ni2 O22 -","2","1","","Jiang, Lin; Liu, Yue; Liu, Xin; Tian, Jinlei; Yan, Shiping","Three series of heterometallic Ni <sup>II</sup> –Ln <sup>III</sup> Schiff base complexes: synthesis, crystal structures and magnetic characterization","Dalton Transactions","2017","46","37","12558","12573","10.1039/C7DT02351K","","x-ray","0.71073","MoKα","","0.0439","0.0382","","","0.0867","0.0902","","","","","","1.028","","","","has coordinates,has disorder","282777","2023-04-20","11:56:49",""
"1546878","12.8413","0.0003","14.1659","0.0005","17.3158","0.0005","90","","92.402","0.002","90","","3147.12","0.16","128.55","0.1","128.55","0.1","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C48 H58 Er2 N4 Ni2 O22 -","- C48 H58 Er2 N4 Ni2 O22 -","- C96 H116 Er4 N8 Ni4 O44 -","2","0.5","","Jiang, Lin; Liu, Yue; Liu, Xin; Tian, Jinlei; Yan, Shiping","Three series of heterometallic Ni <sup>II</sup> –Ln <sup>III</sup> Schiff base complexes: synthesis, crystal structures and magnetic characterization","Dalton Transactions","2017","46","37","12558","12573","10.1039/C7DT02351K","","","0.71073","MoKα","","0.0308","0.0276","","","0.0649","0.0667","","","","","","1.04","","","","has coordinates","282777","2023-04-20","11:56:49",""
"1546879","18.232","0.003","12.6716","0.0017","16.639","0.002","90","","97.967","0.003","90","","3807","0.9","113","","113","","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C31 H24 F15 N2 Ni O12 Tb -","- C31 H24 F15 N2 Ni O12 Tb -","- C124 H96 F60 N8 Ni4 O48 Tb4 -","4","1","","Jiang, Lin; Liu, Yue; Liu, Xin; Tian, Jinlei; Yan, Shiping","Three series of heterometallic Ni <sup>II</sup> –Ln <sup>III</sup> Schiff base complexes: synthesis, crystal structures and magnetic characterization","Dalton Transactions","2017","46","37","12558","12573","10.1039/C7DT02351K","","","0.71075","MoKα","","0.076","0.0716","","","0.2126","0.2158","","","","","","1.069","","","","has coordinates","282777","2023-04-20","11:56:49",""
"1546880","18.2854","0.0007","12.6822","0.0004","16.6662","0.0005","90","","97.946","0.004","90","","3827.8","0.2","113","","113","","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C31 H24 F15 N2 Ni O12 Tb -","- C31 H24 F15 N2 Ni O12 Tb -","- C124 H96 F60 N8 Ni4 O48 Tb4 -","4","1","","Jiang, Lin; Liu, Yue; Liu, Xin; Tian, Jinlei; Yan, Shiping","Three series of heterometallic Ni <sup>II</sup> –Ln <sup>III</sup> Schiff base complexes: synthesis, crystal structures and magnetic characterization","Dalton Transactions","2017","46","37","12558","12573","10.1039/C7DT02351K","","","0.71075","MoKα","","0.0716","0.0689","","","0.1327","0.134","","","","","","0.9983","","","","has coordinates","282777","2023-04-20","11:56:49",""
"1546881","8.0072","0.0002","21.2678","0.0006","7.3241","0.0002","90","","90","","90","","1247.26","0.06","296","2","296","2","","","","","","","","4","P n a 21","P 2c -2n","33","","","","- Ag3 I3 Mo2 O12 -","- Ag3 I3 Mo2 O12 -","- Ag12 I12 Mo8 O48 -","4","1","","Meng, Chang-Yu; Zhang, Pei; Wang, Rong-Fang; Geng, Lei","Ag <sub>3</sub> I[(MoO <sub>3</sub> ) <sub>2</sub> (IO <sub>3</sub> ) <sub>2</sub> ]: a new polar material synthesized from the structural modulation of molybdenyl iodate architectures by polarizable cation (Ag <sup>+</sup> ) and anion (I <sup>−</sup> )","Dalton Transactions","2017","46","36","12320","12327","10.1039/C7DT02795H","","","0.71073","MoKα","","0.0186","0.018","","","0.0384","0.0387","","","","","","1.06","","","","has coordinates","282777","2023-04-20","11:56:49",""
"1546882","24.5034","0.0009","6.7673","0.0002","14.7803","0.0005","90","","90","","90","","2450.9","0.14","293","2","293","2","","","","","","","","5","P n a 21","P 2c -2n","33","","","","- B2 Cs Na4 O13 P3 -","- B2 Cs Na4 O13 P3 -","- B16 Cs8 Na32 O104 P24 -","8","2","","Wu, Chao; Li, Longhua; Yang, Gang; Song, Junling; Yan, Bing; Humphrey, Mark G.; Zhang, Long; Shao, Jianda; Zhang, Chi","Low-temperature-flux syntheses of ultraviolet-transparent borophosphates Na <sub>4</sub> MB <sub>2</sub> P <sub>3</sub> O <sub>13</sub> (M = Rb, Cs) exhibiting a second-harmonic generation response","Dalton Transactions","2017","46","37","12605","12611","10.1039/C7DT02649H","","","0.71073","MoKα","","0.0346","0.0282","","","0.0609","0.0635","","","","","","1.098","","","","has coordinates","282777","2023-04-20","11:56:49",""
"1546883","24.0348","0.0009","6.7464","0.0002","14.9206","0.0006","90","","90","","90","","2419.35","0.15","293","2","293","2","","","","","","","","5","P n a 21","P 2c -2n","33","","","","- B2 Na4 O13 P3 Rb -","- B2 Na4 O13 P3 Rb -","- B16 Na32 O104 P24 Rb8 -","8","2","","Wu, Chao; Li, Longhua; Yang, Gang; Song, Junling; Yan, Bing; Humphrey, Mark G.; Zhang, Long; Shao, Jianda; Zhang, Chi","Low-temperature-flux syntheses of ultraviolet-transparent borophosphates Na <sub>4</sub> MB <sub>2</sub> P <sub>3</sub> O <sub>13</sub> (M = Rb, Cs) exhibiting a second-harmonic generation response","Dalton Transactions","2017","46","37","12605","12611","10.1039/C7DT02649H","","","0.71073","MoKα","","0.0545","0.0432","","","0.1113","0.1194","","","","","","1.071","","","","has coordinates","282777","2023-04-20","11:56:50",""
"1546884","10.8838","0.0008","16.8256","0.0012","19.8906","0.0016","77.578","0.003","78.671","0.003","72.523","0.003","3358.9","0.4","150","2","150","2","","","","","","","","6","P -1","-P 1","2","","","","- C156 H194 B4 Fe Ge4 N12 -","- C128 H162 B4 Fe Ge4 N12 -","- C128 H162 B4 Fe Ge4 N12 -","1","0.5","","Böserle, Jiří; Zhigulin, Grigory; Štěpnička, Petr; Horký, Filip; Erben, Milan; Jambor, Roman; R°užička, Aleš; Ketkov, Sergey; Dostál, Libor","Facile activation of alkynes with a boraguanidinato-stabilized germylene: a combined experimental and theoretical study","Dalton Transactions","2017","46","36","12339","12353","10.1039/C7DT01950E","","","0.71073","MoKα","","0.1122","0.0817","","","0.1579","0.1699","","","","","","1.134","","","","has coordinates","282777","2023-04-20","11:56:50",""
"1546885","11.1579","0.0007","19.2531","0.0019","27.69","0.002","90","","110.45","0.006","90","","5573.6","0.8","150","1","150","1","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C56 H82 B2 Ge2 N6 -","- C56 H82 B2 Ge2 N6 -","- C224 H328 B8 Ge8 N24 -","4","1","","Böserle, Jiří; Zhigulin, Grigory; Štěpnička, Petr; Horký, Filip; Erben, Milan; Jambor, Roman; R°užička, Aleš; Ketkov, Sergey; Dostál, Libor","Facile activation of alkynes with a boraguanidinato-stabilized germylene: a combined experimental and theoretical study","Dalton Transactions","2017","46","36","12339","12353","10.1039/C7DT01950E","","","0.71073","MoKα","","0.0901","0.0483","","","0.0851","0.0994","","","","","","1.091","","","","has coordinates,has disorder","282777","2023-04-20","11:56:50",""
"1546886","10.759","0.0008","14.972","0.0014","21.213","0.002","75.454","0.009","78.047","0.008","85.108","0.007","3233.8","0.5","150","1","150","1","","","","","","","","6","P -1","-P 1","2","","","","- C68 H92 B2 Fe Ge2 N6 -","- C62 H78 B2 Fe Ge2 N6 -","- C124 H156 B4 Fe2 Ge4 N12 -","2","1","","Böserle, Jiří; Zhigulin, Grigory; Štěpnička, Petr; Horký, Filip; Erben, Milan; Jambor, Roman; R°užička, Aleš; Ketkov, Sergey; Dostál, Libor","Facile activation of alkynes with a boraguanidinato-stabilized germylene: a combined experimental and theoretical study","Dalton Transactions","2017","46","36","12339","12353","10.1039/C7DT01950E","","","0.71073","MoKα","","0.1123","0.0677","","","0.1423","0.1741","","","","","","1.121","","","","has coordinates","282777","2023-04-20","11:56:50",""
"1546887","52.0662","0.0004","10.3231","0.0002","21.2294","0.0004","90","","112.682","0.003","90","","10528","0.4","150","1","150","1","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C56 H74 B2 Fe Ge2 N6 -","- C56 H74 B2 Fe Ge2 N6 -","- C448 H592 B16 Fe8 Ge16 N48 -","8","1","","Böserle, Jiří; Zhigulin, Grigory; Štěpnička, Petr; Horký, Filip; Erben, Milan; Jambor, Roman; R°užička, Aleš; Ketkov, Sergey; Dostál, Libor","Facile activation of alkynes with a boraguanidinato-stabilized germylene: a combined experimental and theoretical study","Dalton Transactions","2017","46","36","12339","12353","10.1039/C7DT01950E","","","0.71073","MoKα","","0.0791","0.0439","","","0.0756","0.0899","","","","","","1.153","","","","has coordinates","282777","2023-04-20","11:56:50",""
"1546888","19.659","0.002","10.841","0.0008","28.649","0.004","90","","114.791","0.01","90","","5543.1","1.1","150","1","150","1","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C58 H74 B2 Ge2 N6 -","- C58 H74 B2 Ge2 N6 -","- C232 H296 B8 Ge8 N24 -","4","1","","Böserle, Jiří; Zhigulin, Grigory; Štěpnička, Petr; Horký, Filip; Erben, Milan; Jambor, Roman; R°užička, Aleš; Ketkov, Sergey; Dostál, Libor","Facile activation of alkynes with a boraguanidinato-stabilized germylene: a combined experimental and theoretical study","Dalton Transactions","2017","46","36","12339","12353","10.1039/C7DT01950E","","","0.71073","MoKα","","0.0993","0.0504","","","0.081","0.1","","","","","","1.131","","","","has coordinates","282777","2023-04-20","11:56:50",""
"1546889","10.164","0.0012","21.9981","0.0017","23.169","0.003","90","","112.354","0.012","90","","4791","1","150","1","150","1","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C48 H70 B2 Ge2 N6 -","- C48 H70 B2 Ge2 N6 -","- C192 H280 B8 Ge8 N24 -","4","1","","Böserle, Jiří; Zhigulin, Grigory; Štěpnička, Petr; Horký, Filip; Erben, Milan; Jambor, Roman; R°užička, Aleš; Ketkov, Sergey; Dostál, Libor","Facile activation of alkynes with a boraguanidinato-stabilized germylene: a combined experimental and theoretical study","Dalton Transactions","2017","46","36","12339","12353","10.1039/C7DT01950E","","","0.71073","MoKα","","0.07","0.0418","","","0.0835","0.1014","","","","","","1.177","","","","has coordinates,has disorder","282777","2023-04-20","11:56:50",""
"1546890","15.39","0.0007","18.312","0.002","36.856","0.005","91.094","0.011","97.193","0.005","91.257","0.008","10300.1","1.9","150","1","150","1","","","","","","","","5","P -1","-P 1","2","","","","- C52 H70 B2 Ge2 N6 -","- C52 H70 B2 Ge2 N6 -","- C416 H560 B16 Ge16 N48 -","8","4","","Böserle, Jiří; Zhigulin, Grigory; Štěpnička, Petr; Horký, Filip; Erben, Milan; Jambor, Roman; R°užička, Aleš; Ketkov, Sergey; Dostál, Libor","Facile activation of alkynes with a boraguanidinato-stabilized germylene: a combined experimental and theoretical study","Dalton Transactions","2017","46","36","12339","12353","10.1039/C7DT01950E","","","0.71073","MoKα","","0.1318","0.0669","","","0.1114","0.1375","","","","","","1.115","","","","has coordinates,has disorder","282777","2023-04-20","11:56:50",""
"1546891","22.5261","0.0014","13.268","0.0015","21.209","0.002","90","","112.06","0.009","90","","5874.8","1","150","1","150","1","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C63 H81 B2 Ge2 N6 -","- C63 H81 B2 Ge2 N6 -","- C252 H324 B8 Ge8 N24 -","4","1","","Böserle, Jiří; Zhigulin, Grigory; Štěpnička, Petr; Horký, Filip; Erben, Milan; Jambor, Roman; R°užička, Aleš; Ketkov, Sergey; Dostál, Libor","Facile activation of alkynes with a boraguanidinato-stabilized germylene: a combined experimental and theoretical study","Dalton Transactions","2017","46","36","12339","12353","10.1039/C7DT01950E","","","0.71073","MoKα","","0.0964","0.0476","","","0.0807","0.1018","","","","","","1.147","","","","has coordinates,has disorder","282777","2023-04-20","11:56:50",""
"1546892","16.2952","0.0011","14.3563","0.0007","9.5659","0.0005","90","","92.861","0.005","90","","2235","0.2","296","2","296","","","","","","","","","5","C 1 2/c 1","-C 2yc","15","[Gd(INNO)(Bza)2(H2O)2]H2O,12aug22d","","","- C20 H20 Gd N O10 -","- C20 H20 Gd N O10 -","- C80 H80 Gd4 N4 O40 -","4","0.5","","Zhu, Wen-Hua; Xiong, Xia; Gao, Chen; Li, Shan; Zhang, Yan; Wang, Juan; Zhang, Chi; Powell, Annie K.; Gao, Song","A family of one-dimensional lanthanide complexes bridged by two distinct carboxylate ligands with the Dy analogue displaying magnetic relaxation behaviour","Dalton Transactions","2017","46","41","14114","14121","10.1039/C7DT02736B","","","0.71073","MoKα","","0.027","0.0233","","","0.0503","0.0525","","","","","","1.067","","","","has coordinates","282777","2023-04-20","11:56:50",""
"1546893","16.281","0.004","14.373","0.003","9.581","0.002","90","","93.334","0.004","90","","2238.2","0.9","296","2","296.15","","","","","","","","","5","C 1 2/c 1","-C 2yc","15","[Y(INNO)(Bza)2(H2O)2]H2O,12nov24j","","","- C20 H20 N O10 Y -","- C20 H20 N O10 Y -","- C80 H80 N4 O40 Y4 -","4","0.5","","Zhu, Wen-Hua; Xiong, Xia; Gao, Chen; Li, Shan; Zhang, Yan; Wang, Juan; Zhang, Chi; Powell, Annie K.; Gao, Song","A family of one-dimensional lanthanide complexes bridged by two distinct carboxylate ligands with the Dy analogue displaying magnetic relaxation behaviour","Dalton Transactions","2017","46","41","14114","14121","10.1039/C7DT02736B","","","0.71073","MoKα","","0.0561","0.0379","","","0.091","0.0968","","","","","","1.016","","","","has coordinates","282777","2023-04-20","11:56:50",""
"1546894","16.395","0.004","14.508","0.003","9.627","0.002","90","","93.026","0.003","90","","2286.7","0.9","296","2","296.15","","","","","","","","","5","C 1 2/c 1","-C 2yc","15","[Eu(INNO)(Bza)2(H2O)2]H2O,13jan10a","","","- C20 H20 Eu N O10 -","- C20 H22 Eu N O10 -","- C80 H88 Eu4 N4 O40 -","4","0.5","","Zhu, Wen-Hua; Xiong, Xia; Gao, Chen; Li, Shan; Zhang, Yan; Wang, Juan; Zhang, Chi; Powell, Annie K.; Gao, Song","A family of one-dimensional lanthanide complexes bridged by two distinct carboxylate ligands with the Dy analogue displaying magnetic relaxation behaviour","Dalton Transactions","2017","46","41","14114","14121","10.1039/C7DT02736B","","","0.71073","MoKα","","0.0367","0.028","","","0.0618","0.0668","","","","","","1.066","","","","has coordinates","282777","2023-04-20","11:56:50",""
"1546895","16.302","0.003","14.411","0.002","9.5734","0.0016","90","","93.006","0.002","90","","2246","0.6","296","2","296.15","","","","","","","","","5","C 1 2/c 1","-C 2yc","15","[Tb(INNO)(Bza)2(H2O)2]H2O,13jan14e","","","- C20 H20 N O10 Tb -","- C20 H20 N O10 Tb -","- C80 H80 N4 O40 Tb4 -","4","0.5","","Zhu, Wen-Hua; Xiong, Xia; Gao, Chen; Li, Shan; Zhang, Yan; Wang, Juan; Zhang, Chi; Powell, Annie K.; Gao, Song","A family of one-dimensional lanthanide complexes bridged by two distinct carboxylate ligands with the Dy analogue displaying magnetic relaxation behaviour","Dalton Transactions","2017","46","41","14114","14121","10.1039/C7DT02736B","","","0.71073","MoKα","","0.0301","0.0258","","","0.0618","0.0642","","","","","","1.054","","","","has coordinates","282777","2023-04-20","11:56:50",""
"1546896","16.287","0.002","14.437","0.002","9.5971","0.0013","90","","93.681","0.002","90","","2252","0.5","569","2","569.15","","","","","","","","","5","C 1 2/c 1","-C 2yc","15","[Dy(INNO)(Bza)2(H2O)2]H2O,12may28h","","","- C20 H20 Dy N O10 -","- C20 H20 Dy N O10 -","- C80 H80 Dy4 N4 O40 -","4","0.5","","Zhu, Wen-Hua; Xiong, Xia; Gao, Chen; Li, Shan; Zhang, Yan; Wang, Juan; Zhang, Chi; Powell, Annie K.; Gao, Song","A family of one-dimensional lanthanide complexes bridged by two distinct carboxylate ligands with the Dy analogue displaying magnetic relaxation behaviour","Dalton Transactions","2017","46","41","14114","14121","10.1039/C7DT02736B","","","0.71073","MoKα","","0.0253","0.0214","","","0.0506","0.0524","","","","","","1.068","","","","has coordinates","282777","2023-04-20","11:56:50",""
"1546897","16.3602","0.0017","14.51","0.0015","9.575","0.001","90","","92.566","0.002","90","","2270.7","0.4","296","2","296.15","","","","","","","","","5","C 1 2/c 1","-C 2yc","15","[Nd(INNO)(Bza)2(H2O)2]H2O,13jan10j","","","- C20 H20 N Nd O10 -","- C20 H20 N Nd O10 -","- C80 H80 N4 Nd4 O40 -","4","0.5","","Zhu, Wen-Hua; Xiong, Xia; Gao, Chen; Li, Shan; Zhang, Yan; Wang, Juan; Zhang, Chi; Powell, Annie K.; Gao, Song","A family of one-dimensional lanthanide complexes bridged by two distinct carboxylate ligands with the Dy analogue displaying magnetic relaxation behaviour","Dalton Transactions","2017","46","41","14114","14121","10.1039/C7DT02736B","","","0.71073","MoKα","","0.0212","0.019","","","0.0451","0.0462","","","","","","1.072","","","","has coordinates","282777","2023-04-20","11:56:50",""
"1546898","16.312","0.003","14.376","0.002","9.5785","0.0015","90","","93.332","0.002","90","","2242.4","0.6","296","2","296.15","","","","","","","","","5","C 1 2/c 1","-C 2yc","15","[Er(INNO)(Bza)2(H2O)2]H2O,12nov24i","","","- C20 H20 Er N O10 -","- C20 H20 Er N O10 -","- C80 H80 Er4 N4 O40 -","4","0.5","","Zhu, Wen-Hua; Xiong, Xia; Gao, Chen; Li, Shan; Zhang, Yan; Wang, Juan; Zhang, Chi; Powell, Annie K.; Gao, Song","A family of one-dimensional lanthanide complexes bridged by two distinct carboxylate ligands with the Dy analogue displaying magnetic relaxation behaviour","Dalton Transactions","2017","46","41","14114","14121","10.1039/C7DT02736B","","","0.71073","MoKα","","0.0359","0.0285","","","0.0621","0.0662","","","","","","1.049","","","","has coordinates","282777","2023-04-20","11:56:50",""
"1546899","16.9924","0.0006","16.5973","0.0005","17.5163","0.0006","90","","90","","90","","4940.1","0.3","123","2","123","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","((di-tert-butylphosphonio)methyl)diphenyl(phenylethynyl)borate","","- C29 H36 B P -","- C29 H36 B P -","- C232 H288 B8 P8 -","8","1","","Habraken, Evi R. M.; Mens, Lars C.; Nieger, Martin; Lutz, Martin; Ehlers, Andreas W.; Slootweg, J. Chris","Reactivity of the geminal phosphinoborane tBu <sub>2</sub> PCH <sub>2</sub> BPh <sub>2</sub> towards alkynes, nitriles, and nitrilium triflates","Dalton Transactions","2017","46","36","12284","12292","10.1039/C7DT02570J","","","1.54178","CuKα","","0.0386","0.0344","","","0.0918","0.095","","","","","","1.035","","","","has coordinates","282777","2023-04-20","11:56:50",""
"1546900","13.6317","0.0008","11.9518","0.0008","19.7278","0.0013","90","","101.21","0.002","90","","3152.8","0.3","123","2","123","2","","","","","","","","8","C 1 c 1","C -2yc","9","","4,4,5-tri-tert-butyl-1,2,2-triphenyl-3,4-dihydro-2H-1λ^4^,4,2λ^4^-azaphosphaborol-4-ium trifluoromethanesulfonate","","- C33 H44 B F3 N O3 P S -","- C33 H44 B F3 N O3 P S -","- C132 H176 B4 F12 N4 O12 P4 S4 -","4","1","","Habraken, Evi R. M.; Mens, Lars C.; Nieger, Martin; Lutz, Martin; Ehlers, Andreas W.; Slootweg, J. Chris","Reactivity of the geminal phosphinoborane tBu <sub>2</sub> PCH <sub>2</sub> BPh <sub>2</sub> towards alkynes, nitriles, and nitrilium triflates","Dalton Transactions","2017","46","36","12284","12292","10.1039/C7DT02570J","","","0.71073","MoKα","","0.0283","0.0272","","","0.0674","0.0682","","","","","","1.058","","","","has coordinates","282777","2023-04-20","11:56:50",""
"1546901","8.4981","0.0005","18.446","0.0011","13.8292","0.0008","90","","96.972","0.002","90","","2151.8","0.2","123","2","123","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","4,4-di-tert-butyl-5-methyl-2,2-diphenyl-3,4-dihydro-2H-1,4,2-azaphosphaborol-4-ium-2-uide","","- C23 H33 B N P -","- C23 H33 B N P -","- C92 H132 B4 N4 P4 -","4","1","","Habraken, Evi R. M.; Mens, Lars C.; Nieger, Martin; Lutz, Martin; Ehlers, Andreas W.; Slootweg, J. Chris","Reactivity of the geminal phosphinoborane tBu <sub>2</sub> PCH <sub>2</sub> BPh <sub>2</sub> towards alkynes, nitriles, and nitrilium triflates","Dalton Transactions","2017","46","36","12284","12292","10.1039/C7DT02570J","","","1.54178","CuKα","","0.0478","0.0406","","","0.1055","0.1109","","","","","","1.035","","","","has coordinates","282777","2023-04-20","11:56:50",""
"1546902","11.0882","0.0005","17.6065","0.0007","18.5479","0.0009","90","","90","","90","","3621","0.3","123","2","123","2","","","","","","","","9","P 21 21 21","P 2ac 2ab","19","","4,4-di-tert-butyl-1,2,2,5-tetraphenyl-3,4-dihydro-2H-1λ^4^,4,2λ^4^-azaphosphaborol-4-ium trifluoromethanesulfonate dichloromethane solvate","","- C36 H42 B Cl2 F3 N O3 P S -","- C36 H42 B Cl2 F3 N O3 P S -","- C144 H168 B4 Cl8 F12 N4 O12 P4 S4 -","4","1","","Habraken, Evi R. M.; Mens, Lars C.; Nieger, Martin; Lutz, Martin; Ehlers, Andreas W.; Slootweg, J. Chris","Reactivity of the geminal phosphinoborane tBu <sub>2</sub> PCH <sub>2</sub> BPh <sub>2</sub> towards alkynes, nitriles, and nitrilium triflates","Dalton Transactions","2017","46","36","12284","12292","10.1039/C7DT02570J","","","0.71073","MoKα","","0.0591","0.0539","","","0.1299","0.135","","","","","","1.023","","","","has coordinates,has disorder","282777","2023-04-20","11:56:50",""
"1546903","8.1447","0.0002","16.6623","0.0004","17.5476","0.0004","90","","91.644","0.001","90","","2380.39","0.1","123","2","123","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","4,4-di-tert-butyl-5-methyl-2,2-diphenyl-3,4-dihydro-2H-1,4,2-azaphosphaborol-4-ium-2-uide","","- C28 H35 B N P -","- C28 H35 B N P -","- C112 H140 B4 N4 P4 -","4","1","","Habraken, Evi R. M.; Mens, Lars C.; Nieger, Martin; Lutz, Martin; Ehlers, Andreas W.; Slootweg, J. Chris","Reactivity of the geminal phosphinoborane tBu <sub>2</sub> PCH <sub>2</sub> BPh <sub>2</sub> towards alkynes, nitriles, and nitrilium triflates","Dalton Transactions","2017","46","36","12284","12292","10.1039/C7DT02570J","","","1.54178","CuKα","","0.039","0.035","","","0.0874","0.0899","","","","","","1.04","","","","has coordinates","282777","2023-04-20","11:56:50",""
"1546904","17.3762","0.0006","15.4227","0.0005","17.5727","0.0006","90","","90","","90","","4709.3","0.3","123","2","123","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","((di-tert-butylphosphonio)methyl)triphenylborate","","- C27 H36 B P -","- C27 H36 B P -","- C216 H288 B8 P8 -","8","1","","Habraken, Evi R. M.; Mens, Lars C.; Nieger, Martin; Lutz, Martin; Ehlers, Andreas W.; Slootweg, J. Chris","Reactivity of the geminal phosphinoborane tBu <sub>2</sub> PCH <sub>2</sub> BPh <sub>2</sub> towards alkynes, nitriles, and nitrilium triflates","Dalton Transactions","2017","46","36","12284","12292","10.1039/C7DT02570J","","","1.54178","CuKα","","0.0454","0.0403","","","0.1035","0.1076","","","","","","1.023","","","","has coordinates","282777","2023-04-20","11:56:50",""
"1546905","10.0726","0.0004","11.0362","0.0004","12.2129","0.0004","88.259","0.001","69.614","0.001","78.174","0.001","1244.34","0.08","123","2","123","2","","","","","","","","4","P -1","-P 1","2","","((di-tert-butylphosphonio)methyl)(3,3-dimethylbut-1-yn-1-yl)diphenylborate","","- C27 H40 B P -","- C27 H40 B P -","- C54 H80 B2 P2 -","2","1","","Habraken, Evi R. M.; Mens, Lars C.; Nieger, Martin; Lutz, Martin; Ehlers, Andreas W.; Slootweg, J. Chris","Reactivity of the geminal phosphinoborane tBu <sub>2</sub> PCH <sub>2</sub> BPh <sub>2</sub> towards alkynes, nitriles, and nitrilium triflates","Dalton Transactions","2017","46","36","12284","12292","10.1039/C7DT02570J","","","0.71073","MoKα","","0.0582","0.0408","","","0.0904","0.096","","","","","","1.056","","","","has coordinates","282777","2023-04-20","11:56:50",""
"1546906","11.4364","0.0004","14.5007","0.0005","14.8879","0.0006","90","","93.698","0.002","90","","2463.81","0.16","150","2","150","2","","","","","","","","5","C 1 c 1","C -2yc","9","","","","- C26 H39 B N P -","- C26 H39 B N P -","- C104 H156 B4 N4 P4 -","4","1","","Habraken, Evi R. M.; Mens, Lars C.; Nieger, Martin; Lutz, Martin; Ehlers, Andreas W.; Slootweg, J. Chris","Reactivity of the geminal phosphinoborane tBu <sub>2</sub> PCH <sub>2</sub> BPh <sub>2</sub> towards alkynes, nitriles, and nitrilium triflates","Dalton Transactions","2017","46","36","12284","12292","10.1039/C7DT02570J","","","0.71073","MoKα","","0.0501","0.044","","","0.1205","0.1258","","","","","","1.032","","","","has coordinates","282777","2023-04-20","11:56:50",""
"1546907","14.41","0.002","17.145","0.003","17.2175","0.0005","90","","114.14","0.01","90","","3881.8","0.9","100","2","100","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C42 H67 Al Cl N2 -","- C42 H67 Al Cl N2 -","- C168 H268 Al4 Cl4 N8 -","4","1","","Kundu, Subrata; Sinhababu, Soumen; Dutta, Sayan; Mondal, Totan; Koley, Debasis; Dittrich, Birger; Schwederski, Brigitte; Kaim, Wolfgang; Stückl, A. Claudia; Roesky, Herbert W.","Synthesis and characterization of Lewis base stabilized mono- and di-organo aluminum radicals","Chemical Communications","2017","53","76","10516","10519","10.1039/C7CC06358J","","","0.6358","synchrotron","","0.0423","0.0413","","","0.1121","0.1133","","","","","","1.055","","","","has coordinates","282777","2023-04-20","11:56:50",""
"1546908","8.6226","0.0012","13.6329","0.0018","22.798","0.003","90","","90","","90","","2679.9","0.6","113","2","113","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C15 H16 Cl N O -","- C15 H16 Cl N O -","- C120 H128 Cl8 N8 O8 -","8","2","","Wang, Guo-Peng; Chen, Meng-Qing; Zhu, Shou-Fei; Zhou, Qi-Lin","Enantioselective Nazarov cyclization of indole enones cooperatively catalyzed by Lewis acids and chiral Brønsted acids","Chem. Sci.","2017","","","","","10.1039/C7SC03183A","","","0.71073","MoKα","","0.0272","0.0248","","","0.0685","0.0696","","","","","","1.058","","","","has coordinates","199994","2020-10-21","18:00:00",""
"1546909","10.4508","0.0005","24.6808","0.0011","29.1391","0.0013","90","","94.151","0.004","90","","7496.3","0.6","293","2","293","2","","","","","","","","8","P 1 21/c 1","-P 2ybc","14","","","","- C73 H48 Cl3 F12 O3 P3 Pd3 S4 -","- C73 H48 Cl3 F12 O3 P3 Pd3 S4 -","- C292 H192 Cl12 F48 O12 P12 Pd12 S16 -","4","1","","Maestri, Giovanni; WANG, Yanlan; Monfredini, Anna; Deyris, Pierre-Alexandre; Derat, Etienne; Malacria, Max; Blanchard, Florent","All-Metal Aromatic Cationic Palladium Triangles Can Mimic Aromatic Donor Ligands towards Lewis Acidic Cations","Chem. Sci.","2017","","","","","10.1039/C7SC03475J","","x-ray","0.71073","MoKα","","0.0571","0.0386","","","0.0821","0.0928","","","","","","1.077","","","","has coordinates,has disorder","199995","2020-10-21","18:00:00",""
"1546910","21.8782","0.0004","22.7145","0.0004","39.349","0.003","90","","90","","90","","19554.6","1.6","200","","200","","","","","","","","","10","P b c a","-P 2ac 2ab","61","","","","- C88 H82 Ag Cl3 F21 O5 P3 Pd3 S3 Sb2 -","- C88 H82 Ag Cl3 F21 O5 P3 Pd3 S3 Sb2 -","- C704 H656 Ag8 Cl24 F168 O40 P24 Pd24 S24 Sb16 -","8","1","","Maestri, Giovanni; WANG, Yanlan; Monfredini, Anna; Deyris, Pierre-Alexandre; Derat, Etienne; Malacria, Max; Blanchard, Florent","All-Metal Aromatic Cationic Palladium Triangles Can Mimic Aromatic Donor Ligands towards Lewis Acidic Cations","Chem. Sci.","2017","","","","","10.1039/C7SC03475J","","","1.54187","CuKα","","0.0876","0.0665","","","0.1604","0.192","","","","","","1.16","","","","has coordinates","199995","2020-10-21","18:00:00",""
"1546911","19.9665","0.0004","30.9093","0.0006","32.546","0.002","90","","90","","90","","20085.8","1.4","200","","200","","","","","","","","","10","P c c n","-P 2ab 2ac","56","","","","- C72.75 H52.75 Ag B2 Cl5.25 F17 O2 P3 Pd3 S3 -","- C72.75 H52.75 Ag B2 Cl5.25 F17 O2 P3 Pd3 S3 -","- C582 H422 Ag8 B16 Cl42 F136 O16 P24 Pd24 S24 -","8","1","","Maestri, Giovanni; WANG, Yanlan; Monfredini, Anna; Deyris, Pierre-Alexandre; Derat, Etienne; Malacria, Max; Blanchard, Florent","All-Metal Aromatic Cationic Palladium Triangles Can Mimic Aromatic Donor Ligands towards Lewis Acidic Cations","Chem. Sci.","2017","","","","","10.1039/C7SC03475J","","","1.54187","CuKα","","0.1117","0.0802","","","0.2131","0.2819","","","","","","1.202","","","","has coordinates","199995","2020-10-21","18:00:00",""
"1546912","13.265","0.003","13.265","0.003","7.545","0.002","90","","90","","120","","1149.8","0.5","273","2","273.15","","","","","","","","","4","P -6 m 2","P -6 2","187","Offretite","","","- C0.75 K0.08 O3.52 Si1.5 -","- C1.41667 K0.0833333 O3.08333 Si1.5 -","- C17 K O37 Si18 -","12","1","","Łukaszuk, Katarzyna Anna; Rojo-Gama, Daniel; Øien-Ødegaard, Sigurd; Lazzarini, Andrea; Berlier, Gloria; Bordiga, Silvia; Lillerud, Karl Petter; Olsbye, Unni; Beato, Pablo; Lundegaard, Lars Fahl; Svelle, Stian","Zeolite morphology and catalyst performance: Conversion of methanol to hydrocarbons over offretite","Catal. Sci. Technol.","2017","","","","","10.1039/C7CY00996H","","x-ray","0.75","synchrotron","","0.0801","0.0569","","","0.147","0.1626","","","","","","1.144","","","","has coordinates","200008","2020-10-21","18:00:00",""
"1546913","13.2558","0.0003","13.2558","0.0003","7.5358","0.0002","90","","90","","120","","1146.76","0.05","273","2","273.15","","","","","","","","","4","P -6 m 2","P -6 2","187","Offretite","","","- C14 K O40 Si18 -","- C14 K O40 Si18 -","- C14 K O40 Si18 -","1","0.0833333","","Łukaszuk, Katarzyna Anna; Rojo-Gama, Daniel; Øien-Ødegaard, Sigurd; Lazzarini, Andrea; Berlier, Gloria; Bordiga, Silvia; Lillerud, Karl Petter; Olsbye, Unni; Beato, Pablo; Lundegaard, Lars Fahl; Svelle, Stian","Zeolite morphology and catalyst performance: Conversion of methanol to hydrocarbons over offretite","Catal. Sci. Technol.","2017","","","","","10.1039/C7CY00996H","","x-ray","0.75","synchrotron","","0.0458","0.0431","","","0.1216","0.1322","","","","","","1.112","","","","has coordinates","200009","2020-10-21","18:00:00",""
"1546914","13.2269","0.0016","13.2269","0.0016","7.5381","0.001","90","","90","","120","","1142.1","0.2","273","2","273.15","","","","","","","","","4","P -6 m 2","P -6 2","187","Offretite","","","- C14 K O40 Si18 -","- C14 K O40 Si18 -","- C14 K O40 Si18 -","1","0.0833333","","Łukaszuk, Katarzyna Anna; Rojo-Gama, Daniel; Øien-Ødegaard, Sigurd; Lazzarini, Andrea; Berlier, Gloria; Bordiga, Silvia; Lillerud, Karl Petter; Olsbye, Unni; Beato, Pablo; Lundegaard, Lars Fahl; Svelle, Stian","Zeolite morphology and catalyst performance: Conversion of methanol to hydrocarbons over offretite","Catal. Sci. Technol.","2017","","","","","10.1039/C7CY00996H","","x-ray","0.71073","MoKα","","0.0363","0.0358","","","0.1046","0.105","","","","","","1.166","","","","has coordinates","200010","2020-10-21","18:00:00",""
"1546915","19.8561","0.001","7.9076","0.0004","12.5788","0.0006","90","","101.555","0.0016","90","","1935.02","0.17","120","","120","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C21 H29 N O5 -","- C21 H29 N O5 -","- C84 H116 N4 O20 -","4","1","","Ho (Kenny) Park, Kun; Chen, Rui; Chen, David Y.-K.","Programmed serial stereochemical relay and its application in the synthesis of morphinans","Chem. Sci.","2017","","","","","10.1039/C7SC03189K","","","0.71073","MoKα","","0.0848","0.0464","","","0.0924","0.1058","","","","","","1.017","","","","has coordinates","200012","2020-10-21","18:00:00",""
"1546916","8.087","0.002","10.797","0.003","22.609","0.006","90","","90","","90","","1974.1","0.9","173","2","173","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C21 H28 O7 -","- C21 H28 O7 -","- C84 H112 O28 -","4","1","","Wang, Hengtao; Zhang, Xiunan; tang, pingping","Total Synthesis of Schilancidilactones A, B and Schilancitrilactone A, 20-epi-Schilancitrilactone A via Late-stage Nickel-catalyzed cross coupling","Chem. Sci.","2017","","","","","10.1039/C7SC03293E","","","1.54187","CuKα","","0.0331","0.0314","","","0.0828","0.0841","","","","","","1.071","","","","has coordinates","200013","2020-10-21","18:00:00",""
"1546917","7.2879","0.0003","11.3154","0.0005","13.6084","0.0005","90","","90","","90","","1122.22","0.08","135","0.1","135","0.1","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C8 H12 I2 O2 -","- C8 H12 I2 O2 -","- C32 H48 I8 O8 -","4","1","","Wang, Hengtao; Zhang, Xiunan; tang, pingping","Total Synthesis of Schilancidilactones A, B and Schilancitrilactone A, 20-epi-Schilancitrilactone A via Late-stage Nickel-catalyzed cross coupling","Chem. Sci.","2017","","","","","10.1039/C7SC03293E","","x-ray","0.71073","MoKα","","0.0321","0.0305","","","0.0618","0.0634","","","","","","1.036","","","","has coordinates","200013","2020-10-21","18:00:00",""
"1546918","5.7431","0.0013","12.655","0.003","15.118","0.004","69.385","0.006","82.282","0.006","87.431","0.007","1019.1","0.4","98","","98","","","","","","","","","4","P -1","-P 1","2","","","","- C27 H22 N2 O2 -","- C27 H22 N2 O2 -","- C54 H44 N4 O4 -","2","1","","Marichev, Kostiantyn O.; Garcia, Estevan C.; BHOWMICK, KARTICK CHANDRA; Wherritt, Daniel J.; Arman, Hadi; Doyle, Michael P.","Highly selective acylation of polyamines and aminoglycosides by 5-acyl-5-phenyl-1,5-dihydro-4H-pyrazol-4-ones","Chem. Sci.","2017","","","","","10.1039/C7SC03184J","","","0.71075","MoKα","","0.077","0.061","","","0.1302","0.1385","","","","","","1.001","","","","has coordinates","200014","2020-10-21","18:00:00",""
"1546919","6.1284","0.0012","10.938","0.002","11.925","0.002","114.2","0.03","90.94","0.03","91.43","0.03","728.6","0.3","293","2","293","2","","","","","","","","4","P -1","-P 1","2","","","","- C18 H15 N O2 -","- C18 H15 N O2 -","- C36 H30 N2 O4 -","2","1","","Li, Kai; Liu, Yuanyuan; Li, Yuanyuan; Feng, Qi; Hou, Hongwei; Tang, Ben Zhong","2,5-bis(4-alkoxycarbonylphenyl)-1,4-diaryl-1,4-dihydropyrrolo[3,2-b]pyrrole (AAPP) AIEgens: tunable RIR and TICT characteristics and their multifunctional applications","Chem. Sci.","2017","","","","","10.1039/C7SC03076B","","","0.71073","MoKα","","0.1209","0.0967","","","0.2441","0.2591","","","","","","1.239","","","","has coordinates","200045","2020-10-21","18:00:00",""
"1546920","6.1875","0.0003","12.1177","0.0005","12.249","0.0005","63.176","0.004","88.118","0.004","81.174","0.004","809.19","0.07","285","0.1","285","0.1","","","","","","","","5","P -1","-P 1","2","","","","- C19 H14 F3 N O2 -","- C19 H14 F3 N O2 -","- C38 H28 F6 N2 O4 -","2","1","","Li, Kai; Liu, Yuanyuan; Li, Yuanyuan; Feng, Qi; Hou, Hongwei; Tang, Ben Zhong","2,5-bis(4-alkoxycarbonylphenyl)-1,4-diaryl-1,4-dihydropyrrolo[3,2-b]pyrrole (AAPP) AIEgens: tunable RIR and TICT characteristics and their multifunctional applications","Chem. Sci.","2017","","","","","10.1039/C7SC03076B","","x-ray","1.54184","CuKα","","0.0641","0.0624","","","0.1758","0.1786","","","","","","1.055","","","","has coordinates","200045","2020-10-21","18:00:00",""
"1546921","4.7434","0.0005","6.8568","0.0008","15.0374","0.0015","100.88","0.009","92.184","0.008","103.053","0.009","466.21","0.09","200","1","200","1","","","","","","","","5","P -1","-P 1","2","","Ammonium hydrogen bis[(3-chloro-2-methylphenoxy)acetate]","","- C18 H21 Cl2 N O6 -","- C18 H21 Cl2 N O6 -","- C18 H21 Cl2 N O6 -","1","0.5","BH4026","Smith, Graham","Ammonium hydrogen bis[(3-chloro-2-methylphenoxy)acetate]","IUCrData","2017","2","8","x171223","","10.1107/S2414314617012238","","","0.71073","MoKα","","0.0708","0.0516","","","0.104","0.1132","","","","","","1.046","","","","has coordinates,has Fobs","200065","2020-10-21","18:00:00",""
"1546922","30.5325","0.0014","4.8966","0.0002","11.8973","0.0005","90","","99.067","0.002","90","","1756.49","0.13","296","2","296","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","4-Methylbenzylammonium chloride hemihydrate","","- C8 H13 Cl N O0.5 -","- C8 H13 Cl N O0.5 -","- C64 H104 Cl8 N8 O4 -","8","1","BV4010","Aarthi, R.; Thiruvalluvar, A.; Ramachandra Raja, C.","4-Methylbenzylammonium chloride hemihydrate","IUCrData","2017","2","8","x171213","","10.1107/S2414314617012135","","","0.71073","MoKα","","0.0716","0.0405","","","0.102","0.1182","","","","","","1.039","","","","has coordinates,has Fobs","215051","2020-10-21","18:00:00",""
"1546923","10.7775","0.0003","9.6848","0.0003","12.1792","0.0004","90","","108.139","0.001","90","","1208.06","0.06","173","2","173","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","1-Vinyl-4-imidazoline-2-thione","","- C5 H6 N2 S -","- C5 H6 N2 S -","- C40 H48 N16 S8 -","8","1","QM4003","Lampl, Martin; Laus, Gerhard; Wurst, Klaus; Huppertz, Hubert; Schottenberger, Herwig","1-Vinyl-4-imidazoline-2-thione","IUCrData","2017","2","8","x171207","","10.1107/S241431461701207X","","","0.71073","MoKα","","0.026","0.0241","","","0.0634","0.0649","","","","","","1.077","","","","has coordinates,has Fobs","200067","2020-10-21","18:00:00",""
"1546924","6.1708","0.0002","16.9596","0.0007","14.2882","0.0006","90","","99.9699","0.0019","90","","1472.74","0.1","93","","93","","","","","","","","","3","P 1 21 1","P 2yb","4","","2-(Pyridin-2-yl)-1,8-naphthyridine","","- C13 H9 N3 -","- C13 H9 N3 -","- C78 H54 N18 -","6","3","","Abe, Ryosuke; Takase, Tsugiko; Oyama, Dai","2-(Pyridin-2-yl)-1,8-naphthyridine","IUCrData","2017","2","8","x171221","","10.1107/S2414314617012214","","","0.71075","MoKα","","","0.033","","","","0.0929","","","","","","1.04","","","","has coordinates,has Fobs","200068","2020-10-21","18:00:00",""
"1546925","7.13","0.0002","7.13","0.0002","66.238","0.002","90","","90","","90","","3367.33","0.17","110","2","110","2","","","","","","","","6","P 43 21 2","P 4nw 2abw","96","hxq119b","","","- C16 H17 F3 N2 O3 S -","- C16 H17 F3 N2 O3 S -","- C128 H136 F24 N16 O24 S8 -","8","1","","Huang, Xiaoqiang; Luo, Shipeng; Burghaus, Olaf; Webster, Richard D.; Harms, Klaus; Meggers, Eric","Combining the catalytic enantioselective reaction of visible-light-generated radicals with a by-product utilization system","Chem. Sci.","2017","","","","","10.1039/C7SC02621H","","","0.71073","MoKα","","0.0516","0.0479","","","0.1008","0.102","","","","","","1.224","","","","has coordinates","200105","2020-10-21","18:00:00",""
"1546926","15.7976","0.0009","12.996","0.0008","17.9469","0.0011","90","","112.625","0.002","90","","3401","0.4","100","2","100","2","","","","","","","","5","P 1 21 1","P 2yb","4","lsp182","","","- C17 H19 N3 O2 S -","- C17 H19 N3 O2 S -","- C136 H152 N24 O16 S8 -","8","4","","Huang, Xiaoqiang; Luo, Shipeng; Burghaus, Olaf; Webster, Richard D.; Harms, Klaus; Meggers, Eric","Combining the catalytic enantioselective reaction of visible-light-generated radicals with a by-product utilization system","Chem. Sci.","2017","","","","","10.1039/C7SC02621H","","","0.71073","MoKα","","0.0452","0.0353","","","0.0723","0.0759","","","","","","1.037","","","","has coordinates","200105","2020-10-21","18:00:00",""
"1546927","11.9931","0.0005","13.7713","0.0006","14.7325","0.0006","89.48","0.001","67.088","0.001","79.592","0.001","2199.33","0.16","100","2","100","2","","","","","","","","8","P -1","-P 1","2","","","","- C44 H46 Cl2 F6 N4 O3 P Rh -","- C44 H46 Cl2 F6 N4 O3 P Rh -","- C88 H92 Cl4 F12 N8 O6 P2 Rh2 -","2","1","","Huang, Xiaoqiang; Luo, Shipeng; Burghaus, Olaf; Webster, Richard D.; Harms, Klaus; Meggers, Eric","Combining the catalytic enantioselective reaction of visible-light-generated radicals with a by-product utilization system","Chem. Sci.","2017","","","","","10.1039/C7SC02621H","","","0.71073","MoKα","","0.0258","0.0223","","","0.055","0.056","","","","","","1.038","","","","has coordinates,has disorder","200105","2020-10-21","18:00:00",""
"1546928","5.1","0.0004","6.285","0.0003","5.4295","0.0003","85.815","0.005","114.456","0.005","104.136","0.005","153.545","0.018","100","","100","","0","","","","","","","4","I 1","I 1","1","","zeta-glycine-d5","","- C2 D5 N O2 -","- C2 D5 N O2 -","- C4 D10 N2 O4 -","2","","","Bull, Craig L.; Flowitt-Hill, Giles; de Gironcoli, Stefano; Küçükbenli, Emine; Parsons, Simon; Pham, Cong Huy; Playford, Helen Y.; Tucker, Matthew G.","ζ-Glycine: insight into the mechanism of a polymorphic phase transition","IUCrJ","2017","4","5","569","574","10.1107/S205225251701096X","powder diffraction","","","Neutron","","","","","","","","","","1.36489","","","","","","","has coordinates","209108","2020-10-21","18:00:00",""
"1546929","5.023","0.0004","5.9846","0.0004","5.4946","0.0005","90","","114.654","0.008","90","","150.11","0.02","100","","100","","0","","","","","","","4","P 1 n 1","P -2yac","7","","epsilon-glycine-d5","","- C2 D5 N O2 -","- C2 D5 N O2 -","- C4 D10 N2 O4 -","2","1","","Bull, Craig L.; Flowitt-Hill, Giles; de Gironcoli, Stefano; Küçükbenli, Emine; Parsons, Simon; Pham, Cong Huy; Playford, Helen Y.; Tucker, Matthew G.","ζ-Glycine: insight into the mechanism of a polymorphic phase transition","IUCrJ","2017","4","5","569","574","10.1107/S205225251701096X","powder diffraction","","","Neutron","","","","","","","","","","1.36489","","","","","","","has coordinates","200123","2020-10-21","18:00:00",""
"1546930","5.0907","0.0002","6.25954","0.00016","5.3871","0.00019","90","","113.261","0.004","90","","157.709","0.01","290","","290","","0","","","","","","","4","P 1 21 1","P 2yb","4","","beta-glycine-d5","","- C2 D5 N O2 -","- C2 D5 N O2 -","- C4 D10 N2 O4 -","2","1","","Bull, Craig L.; Flowitt-Hill, Giles; de Gironcoli, Stefano; Küçükbenli, Emine; Parsons, Simon; Pham, Cong Huy; Playford, Helen Y.; Tucker, Matthew G.","ζ-Glycine: insight into the mechanism of a polymorphic phase transition","IUCrJ","2017","4","5","569","574","10.1107/S205225251701096X","powder diffraction","","","Neutron","","","","","","","","","","0.977798","","","","","","","has coordinates","200123","2020-10-21","18:00:00",""
"1546931","5.1029","0.0016","6.345","0.0012","5.4331","0.0018","85.91","0.03","114.26","0.03","103.55","0.03","155.85","0.09","290","","290","","0","","","","","","","4","I 1","I 1","1","","zeta-glycine-d5","","- C2 D5 N O2 -","- C2 D5 N O2 -","- C4 D10 N2 O4 -","2","","","Bull, Craig L.; Flowitt-Hill, Giles; de Gironcoli, Stefano; Küçükbenli, Emine; Parsons, Simon; Pham, Cong Huy; Playford, Helen Y.; Tucker, Matthew G.","ζ-Glycine: insight into the mechanism of a polymorphic phase transition","IUCrJ","2017","4","5","569","574","10.1107/S205225251701096X","powder diffraction","","","Neutron","","","","","","","","","","0.977798","","","","","","","has coordinates","209108","2020-10-21","18:00:00",""
"1546932","9.4673","0.0004","9.5452","0.0003","11.9144","0.0004","112.855","0.001","99.013","0.001","93.323","0.002","971.51","0.06","123","2","123","2","","","","","","","","5","P -1","-P 1","2","","","","- C18 H33 N O3 Si -","- C18 H33 N O3 Si -","- C36 H66 N2 O6 Si2 -","2","1","","Shih, Jiun-Le; Jansone-Popova, Santa; Huynh, Christopher; May, Jeremy A.","Synthesis of azasilacyclopentenes and silanols via Huisgen cycloaddition-initiated C‒H bond insertion cascades","Chem. Sci.","2017","","","","","10.1039/C7SC03130K","","","1.54178","CuKα","","0.0319","0.0312","","","0.0826","0.0837","","","","","","1.046","","","","has coordinates","200154","2020-10-21","18:00:00",""
"1546933","9.0924","0.0003","16.5218","0.0006","23.0977","0.0008","90","","90","","90","","3469.8","0.2","123","2","123","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C15 H29 N O3 Si -","- C15 H29 N O3 Si -","- C120 H232 N8 O24 Si8 -","8","2","","Shih, Jiun-Le; Jansone-Popova, Santa; Huynh, Christopher; May, Jeremy A.","Synthesis of azasilacyclopentenes and silanols via Huisgen cycloaddition-initiated C‒H bond insertion cascades","Chem. Sci.","2017","","","","","10.1039/C7SC03130K","","","1.54178","CuKα","","0.027","0.0266","","","0.0684","0.069","","","","","","1.047","","","","has coordinates,has disorder","200154","2020-10-21","18:00:00",""
"1546934","7.5883","0.0002","30.7424","0.0008","7.7047","0.0002","90","","107.783","0.001","90","","1711.49","0.08","123","2","123","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C16 H29 N O Si -","- C16 H29 N O Si -","- C64 H116 N4 O4 Si4 -","4","1","","Shih, Jiun-Le; Jansone-Popova, Santa; Huynh, Christopher; May, Jeremy A.","Synthesis of azasilacyclopentenes and silanols via Huisgen cycloaddition-initiated C‒H bond insertion cascades","Chem. Sci.","2017","","","","","10.1039/C7SC03130K","","","1.54178","CuKα","","0.0305","0.0298","","","0.0766","0.0774","","","","","","1.056","","","","has coordinates","200154","2020-10-21","18:00:00",""
"1546935","8.9713","0.0003","12.6161","0.0003","31.4987","0.0008","90","","90","","90","","3565.11","0.17","123","2","123","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C17 H29 N O3 Si -","- C17 H29 N O3 Si -","- C136 H232 N8 O24 Si8 -","8","2","","Shih, Jiun-Le; Jansone-Popova, Santa; Huynh, Christopher; May, Jeremy A.","Synthesis of azasilacyclopentenes and silanols via Huisgen cycloaddition-initiated C‒H bond insertion cascades","Chem. Sci.","2017","","","","","10.1039/C7SC03130K","","","1.54178","CuKα","","0.0262","0.0258","","","0.0696","0.0701","","","","","","1.087","","","","has coordinates","200154","2020-10-21","18:00:00",""
"1546936","8.717","0.002","9.709","0.002","14.13","0.003","108.586","0.004","101.655","0.004","97.748","0.004","1084.3","0.4","123","2","123","2","","","","","","","","5","P -1","-P 1","2","","","","- C24 H29 N O3 Si -","- C24 H29 N O3 Si -","- C48 H58 N2 O6 Si2 -","2","1","","Shih, Jiun-Le; Jansone-Popova, Santa; Huynh, Christopher; May, Jeremy A.","Synthesis of azasilacyclopentenes and silanols via Huisgen cycloaddition-initiated C‒H bond insertion cascades","Chem. Sci.","2017","","","","","10.1039/C7SC03130K","","","0.71073","MoKα","","0.0542","0.0448","","","0.1219","0.1323","","","","","","1.034","","","","has coordinates","200154","2020-10-21","18:00:00",""
"1546937","13.0101","0.0006","10.7484","0.0005","16.4288","0.0007","90","","106.67","0.001","90","","2200.81","0.17","123","2","123","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C24 H27 N3 O2 Si -","- C24 H27 N3 O2 Si -","- C96 H108 N12 O8 Si4 -","4","1","","Shih, Jiun-Le; Jansone-Popova, Santa; Huynh, Christopher; May, Jeremy A.","Synthesis of azasilacyclopentenes and silanols via Huisgen cycloaddition-initiated C‒H bond insertion cascades","Chem. Sci.","2017","","","","","10.1039/C7SC03130K","","","1.54178","CuKα","","0.0308","0.0296","","","0.079","0.0806","","","","","","1.028","","","","has coordinates","200154","2020-10-21","18:00:00",""
"1546938","13.41","0.02","14.04","0.02","8.042","0.013","90","","100.64","0.03","90","","1488","4","100","2","100","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","Potassium pyrroledithiocarbamate","","- C5 H4 K N S2 -","- C5 H4 K N S2 -","- C40 H32 K8 N8 S16 -","8","2","","DeMartino, Anthony W.; Souza, Maykon Lima; Ford, Peter C.","Uncaging Carbon Disulfide. Delivery Platforms for Potential Pharmacological Applications: A Mechanistic Approach.","Chem. Sci.","2017","","","","","10.1039/C7SC02727C","","","0.71073","MoKα","","0.0983","0.0497","","","0.0926","0.11","","","","","","0.969","","","","has coordinates","200155","2020-10-21","18:00:00",""
"1546939","7.425","0.006","8.392","0.007","11.614","0.009","78.314","0.012","80.939","0.015","89.287","0.017","699.7","1","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","Potassium imidazoldithiocarbamate","","- C4 H3 K N2 S2 -","- C4 H3 K N2 S2 -","- C16 H12 K4 N8 S8 -","4","2","","DeMartino, Anthony W.; Souza, Maykon Lima; Ford, Peter C.","Uncaging Carbon Disulfide. Delivery Platforms for Potential Pharmacological Applications: A Mechanistic Approach.","Chem. Sci.","2017","","","","","10.1039/C7SC02727C","","","0.71073","MoKα","","0.0973","0.0521","","","0.1103","0.1182","","","","","","0.877","","","","has coordinates","200155","2020-10-21","18:00:00",""
"1546940","5.764","0.0009","28.756","0.005","7.9313","0.0014","90","","110.631","0.01","90","","1230.3","0.4","100","2","100","2","","","","","","","","6","P 1 21/m 1","-P 2yb","11","","Potassium diisopropyldithiocarbamate","","- C7 H18 K N O2 S2 -","- C7 H18 K N O2 S2 -","- C28 H72 K4 N4 O8 S8 -","4","1","","DeMartino, Anthony W.; Souza, Maykon Lima; Ford, Peter C.","Uncaging Carbon Disulfide. Delivery Platforms for Potential Pharmacological Applications: A Mechanistic Approach.","Chem. Sci.","2017","","","","","10.1039/C7SC02727C","","","0.71073","MoKα","","0.0886","0.0521","","","0.0992","0.1115","","","","","","1.039","","","","has coordinates","200155","2020-10-21","18:00:00",""
"1546941","9.6894","0.0007","14.7175","0.0011","17.3626","0.0013","90","","92.186","0.002","90","","2474.2","0.3","298","2","298","2","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C27 H26 B F4 N O Si -","- C27 H26 B F4 N O Si -","- C108 H104 B4 F16 N4 O4 Si4 -","4","1","","Wong, Man Kin; Deng, Jie-Ren; Chan, Wing-Cheung; Lai, Nathanael Chun-Him; Yang, Bin; Tsang, Chui-Shan; Ko, Ben, Chi-Bun; Chan, Sharon Lai-Fung","Photosensitizer-free visible light-mediated gold-catalysed cis-difunctionalization of silyl-substituted alkynes","Chem. Sci.","2017","","","","","10.1039/C7SC02294H","","","0.71073","MoKα","","0.1167","0.0745","","","0.1647","0.1865","","","","","","1.002","","","","has coordinates,has disorder","200156","2020-10-21","18:00:00",""
"1546942","26.1798","0.0015","26.1798","0.0015","30.736","0.003","90","","90","","120","","18244","2","100","2","100","2","","","","","","","","6","R 3 c :H","R 3 -2""c","161","","","","- C106.943 H73.411 F7.411 N12 O14.4717 Ru3 -","- C106.943 H73.4147 F7.41474 N12 O14.4716 Ru3 -","- C641.659 H440.488 F44.4884 N72 O86.8295 Ru18 -","6","0.333333","","Kunz, Valentin; Lindner, Joachim O.; Schulze, Marcus; Röhr, Merle I. S.; Schmidt, David; Mitrić, Roland; Würthner, Frank","Cooperative water oxidation catalysis in a series of trinuclear metallosupramolecular ruthenium macrocycles","Energy Environ. Sci.","2017","","","","","10.1039/C7EE01557G","","","0.71073","MoKα","","0.0446","0.0407","","","0.102","0.1041","","","","","","1.048","","","","has coordinates,has disorder","200165","2020-10-21","18:00:00",""
"1546943","9.4359","0.0008","9.6425","0.0007","3.593","0.0003","90","","90","","90","","326.91","0.05","","","","","","","","","","","","3","B b m m","-B 2 2b","63","Al2TiO5","","","- Al2 O5 Ti -","- Al2 O5 Ti -","- Al8 O20 Ti4 -","4","0.25","","Ohta, Y.; Kawauchi, Y.; Ban, T.","Cation distribution of pseudobrookite-type titanates and their phase stability","Journal of the Ceramic Society of Japan","2017","125","","695","700","","","","","","","","","","","","","","","","","","","","","","has coordinates","200170","2020-10-21","18:00:00",""
"1546946","13.8373","0.0006","35.4652","0.0015","9.5082","0.0004","90","","90","","90","","4666.1","0.3","100","2","100","2","","","","","","","","5","P 21 21 2","P 2 2ab","18","","","","- C45 H68 N10 O5 S -","- C45 H68 N10 O5 S -","- C180 H272 N40 O20 S4 -","4","1","","Pulka-Ziach, Karolina; Sęk, Sławomir","α-Helicomimetic foldamers as electron transfer mediators","Nanoscale","2017","","","","","10.1039/C7NR05209J","","","1.54178","CuKα","","0.0802","0.0768","","","0.1738","0.1756","","","","","","1.246","","","","has coordinates,has disorder","200197","2020-10-21","18:00:00",""
"1546947","8.6135","0.0007","10.2226","0.0008","19.2641","0.0015","90","","93.739","0.002","90","","1692.6","0.2","233","2","233","2","","","","","","","","3","P 1 2/c 1","-P 2yc","13","","","","- C44 H38 Si -","- C44 H38 Si -","- C88 H76 Si2 -","2","0.5","","Lee, Jiwon; Park, Yoona; Jung, Joori; Han, Won-Sik","Blue-Shifted Aggregation-Induced Emission of Siloles by Simple Structural Modification and Their Application as Nitro Explosive Chemosensor","Photochem. Photobiol. Sci.","2017","","","","","10.1039/C7PP00268H","","","0.71073","MoKα","","0.1499","0.0595","","","0.1397","0.1981","","","","","","1.038","","","","has coordinates","200199","2020-10-21","18:00:00",""
"1546949","13.599","0.002","14.523","0.002","15.318","0.002","90.915","0.004","105.079","0.004","92.619","0.003","2916.8","0.7","100","2","100","2","","","","","","","","8","P -1","-P 1","2","","","","- C52 H19 Cl6 F20 N4 O S4 Sb -","- C52 H19 Cl6 F20 N4 O S4 Sb -","- C104 H38 Cl12 F40 N8 O2 S8 Sb2 -","2","1","","Panchal, Santosh P.; Anand, Venkataramanarao G.","Oxidative Transformation of a Tetrathia S-Confused Isophlorin into Porphyrin Cation.","Organic letters","2017","19","18","4854","4857","10.1021/acs.orglett.7b02317","","","0.71073","MoKα","","0.0446","0.0332","","","0.0816","0.0883","","","","","","1.026","","","","has coordinates,has disorder","201756","2020-10-21","18:00:00",""
"1546950","17.946","0.009","9.832","0.005","13.938","0.007","90","","111.169","0.009","90","","2293","2","293","2","293","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C30 H18 O2 S -","- C30 H18 O2 S -","- C120 H72 O8 S4 -","4","1","","Wang, Ming; Chen, Shihao; Jiang, Xuefeng","Construction of Functionalized Annulated Sulfone via SO2/I Exchange of Cyclic Diaryliodonium Salts.","Organic letters","2017","19","18","4916","4919","10.1021/acs.orglett.7b02388","","","0.71073","MoKα","","0.1788","0.0814","","","0.197","0.268","","","","","","1.01","","","","has coordinates","201758","2020-10-21","18:00:00",""
"1546951","17.278","0.004","10.111","0.002","13.842","0.003","90","","109.626","0.006","90","","2277.7","0.9","296","2","296","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C30 H18 O2 S2 -","- C30 H18 O2 S2 -","- C120 H72 O8 S8 -","4","1","","Wang, Ming; Chen, Shihao; Jiang, Xuefeng","Construction of Functionalized Annulated Sulfone via SO2/I Exchange of Cyclic Diaryliodonium Salts.","Organic letters","2017","19","18","4916","4919","10.1021/acs.orglett.7b02388","","","0.71073","MoKα","","0.1439","0.0725","","","0.1921","0.2499","","","","","","1.01","","","","has coordinates","201758","2020-10-21","18:00:00",""
"1546952","21.918","0.004","6.9184","0.0012","8.0372","0.0014","90","","90","","90","","1218.7","0.4","296","2","296.15","","","","","","","","","5","P n m a","-P 2ac 2n","62","","","","- C13 H7 F3 O2 S -","- C13 H7 F3 O2 S -","- C52 H28 F12 O8 S4 -","4","0.5","","Wang, Ming; Chen, Shihao; Jiang, Xuefeng","Construction of Functionalized Annulated Sulfone via SO2/I Exchange of Cyclic Diaryliodonium Salts.","Organic letters","2017","19","18","4916","4919","10.1021/acs.orglett.7b02388","","","0.71073","MoKα","","0.1027","0.0792","","","0.2175","0.2389","","","","","","1.085","","","","has coordinates,has disorder","201758","2020-10-21","18:00:00",""
"1546953","16.3124","0.0008","13.3301","0.0007","11.8532","0.0006","90","","109.949","0.002","90","","2422.8","0.2","100","2","100","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C24 H25 Cl4 N2 Rh -","- C24 H25 Cl4 N2 Rh -","- C96 H100 Cl16 N8 Rh4 -","4","1","","Cerón-Carrasco, José Pedro; Ruiz, José; Vicente, Consuelo; de Haro, Concepción; Bautista, Delia; Zúñiga, José; Requena, Alberto","DFT Simulation of Structural and Optical Properties of 9-Aminoacridine Half-Sandwich Ru(II), Rh(III), and Ir(III) Antitumoral Complexes and Their Interaction with DNA.","Journal of chemical theory and computation","2017","13","8","3898","3910","10.1021/acs.jctc.7b00139","","","0.71073","MoKα","","0.0405","0.0369","","","0.0902","0.0926","","","","","","1.08","","","","has coordinates","200265","2020-10-21","18:00:00",""
"1546954","10.4703","0.0008","8.0849","0.001","33.511","0.002","90","","92.726","0.006","90","","2833.5","0.4","273.77","0.1","273.77","0.1","","","","","","","","3","P 1 21 1","P 2yb","4","","","","- C19 H34 O3 -","- C19 H34 O3 -","- C114 H204 O18 -","6","3","","Gobu, Fekadu-Roge; Chen, Jian-Jun; Zeng, Jun; Wei, Wen-Jun; Wang, Wei-Feng; Lin, Chang-Jun; Gao, Kun","Isolation, Structure Elucidition, and Immunosuppressive Activity of Diterpenoids from Ligularia fischeri.","Journal of natural products","2017","80","8","2263","2268","10.1021/acs.jnatprod.7b00198","","x-ray","1.54184","CuKα","","0.1313","0.0454","","","0.12","0.1809","","","","","","0.906","","","","has coordinates","200266","2020-10-21","18:00:00",""
"1546955","6.2219","0.0001","12.662","0.0001","28.7249","0.0003","90","","90","","90","","2263","0.05","289","2","289","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C24 H36 O3 -","- C24 H36 O3 -","- C96 H144 O12 -","4","1","","Hou, Ji-Qin; Guo, Cui; Zhao, Jian-Juan; Dong, Yang-Yang; Hu, Xiao-Long; He, Qi-Wei; Zhang, Bao-Bao; Yan, Ming; Wang, Hao","Anti-inflammatory Meroterpenoids from Baeckea frutescens.","Journal of natural products","2017","80","8","2204","2214","10.1021/acs.jnatprod.7b00042","","","1.54184","CuKα","","0.0435","0.0425","","","0.1344","0.1359","","","","","","1.077","","","","has coordinates,has disorder","200267","2020-10-21","18:00:00",""
"1546956","10.1208","0.0001","10.1208","0.0001","37.134","0.0008","90","","90","","120","","3294.06","0.08","289","2","289","2","","","","","","","","3","P 65","P 65","170","","","","- C24 H36 O3 -","- C24 H36 O3 -","- C144 H216 O18 -","6","1","","Hou, Ji-Qin; Guo, Cui; Zhao, Jian-Juan; Dong, Yang-Yang; Hu, Xiao-Long; He, Qi-Wei; Zhang, Bao-Bao; Yan, Ming; Wang, Hao","Anti-inflammatory Meroterpenoids from Baeckea frutescens.","Journal of natural products","2017","80","8","2204","2214","10.1021/acs.jnatprod.7b00042","","","1.54184","CuKα","","0.0328","0.0323","","","0.0873","0.0883","","","","","","1.074","","","","has coordinates","200268","2020-10-21","18:00:00",""
"1546957","9.2583","0.0001","8.03346","0.00008","12.0021","0.00014","90","","103.302","0.0011","90","","868.719","0.017","293","2","293","2","","","","","","","","3","P 1 21 1","P 2yb","4","","","","- C19 H24 O6 -","- C19 H24 O6 -","- C38 H48 O12 -","2","1","","Xu, Liangxiong; Wu, Ping; Xue, Jinghua; Molnar, Istvan; Wei, Xiaoyi","Antifungal and Cytotoxic β-Resorcylic Acid Lactones from a Paecilomyces Species.","Journal of natural products","2017","80","8","2215","2223","10.1021/acs.jnatprod.7b00066","","","1.54184","CuKα","","0.029","0.0283","","","0.0719","0.0726","","","","","","1.046","","","","has coordinates","200269","2020-10-21","18:00:00",""
"1546958","5.088","0.0001","11.946","0.0002","23.4043","0.0003","90","","90","","90","","1422.54","0.04","","","","","","","","","","","","3","P 1","P 1","1","","","","- C18 H16 O5 -","- C18 H16 O5 -","- C18 H16 O5 -","1","1","","Xu, Liangxiong; Wu, Ping; Xue, Jinghua; Molnar, Istvan; Wei, Xiaoyi","Antifungal and Cytotoxic β-Resorcylic Acid Lactones from a Paecilomyces Species.","Journal of natural products","2017","80","8","2215","2223","10.1021/acs.jnatprod.7b00066","","","","","","0.037","","","","","","","","","","","","","","","has coordinates","214153","2020-10-21","18:00:00",""
"1546959","5.19667","0.00005","13.40708","0.00009","42.3221","0.0003","90","","90","","90","","2948.67","0.04","123.01","0.1","123.01","0.1","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C18 H14 O6 -","- C18 H14 O6 -","- C144 H112 O48 -","8","2","","Deyou, Tsegaye; Marco, Makungu; Heydenreich, Matthias; Pan, Fangfang; Gruhonjic, Amra; Fitzpatrick, Paul A.; Koch, Andreas; Derese, Solomon; Pelletier, Jerry; Rissanen, Kari; Yenesew, Abiy; Erdélyi, Máté","Isoflavones and Rotenoids from the Leaves of Millettia oblata ssp. teitensis.","Journal of natural products","2017","80","7","2060","2066","10.1021/acs.jnatprod.7b00255","","x-ray","1.54184","CuKα","","0.0305","0.0297","","","0.0746","0.0753","","","","","","1.061","","","","has coordinates","214153","2020-10-21","18:00:00",""
"1546960","13.38","0.0019","8.1608","0.0011","15.983","0.002","90","","103.958","0.003","90","","1693.7","0.4","293","2","293","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C19 H15 I N2 O2 -","- C19 H15 I N2 O2 -","- C76 H60 I4 N8 O8 -","4","1","","Chen, Mu-Wang; Ji, Yue; Wang, Jie; Chen, Qing-An; Shi, Lei; Zhou, Yong-Gui","Asymmetric Hydrogenation of Isoquinolines and Pyridines Using Hydrogen Halide Generated in Situ as Activator.","Organic letters","2017","19","18","4988","4991","10.1021/acs.orglett.7b02502","","","0.71073","MoKα","","0.0364","0.0296","","","0.0703","0.074","","","","","","1.023","","","","has coordinates","201753","2020-10-21","18:00:00",""
"1546961","6.8948","0.0004","18.337","0.0009","7.3727","0.0005","90","","109.637","0.005","90","","877.92","0.09","100","","100","","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C12 H11 N O -","- C12 H11 N O -","- C48 H44 N4 O4 -","4","1","","Šafář, Peter; Marchalín, Štefan; Šoral, Michal; Moncol, Ján; Daïch, Adam","Structure and Mechanism Revision of a Catalyzed Cyclization of Benzaldehyde Bearing Alkyne-Nitrile.","Organic letters","2017","19","18","4742","4745","10.1021/acs.orglett.7b01881","","","1.54186","CuKα","","0.0629","0.0439","","","0.0928","0.0952","","","","","","1.002","","","","has coordinates","201755","2020-10-21","18:00:00",""
"1546962","19.0876","0.0009","6.1438","0.0004","8.6807","0.0004","90","","97.141","0.004","90","","1010.09","0.09","100","","100","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C13 H13 N O -","- C13 H13 N O -","- C52 H52 N4 O4 -","4","1","","Šafář, Peter; Marchalín, Štefan; Šoral, Michal; Moncol, Ján; Daïch, Adam","Structure and Mechanism Revision of a Catalyzed Cyclization of Benzaldehyde Bearing Alkyne-Nitrile.","Organic letters","2017","19","18","4742","4745","10.1021/acs.orglett.7b01881","","","1.54186","CuKα","","0.0674","0.0537","","","0.1502","0.1805","","","","","","1.086","","","","has coordinates","201755","2020-10-21","18:00:00",""
"1546963","21.9487","0.0009","6.873","0.0003","12.8765","0.0005","90","","91.458","0.003","90","","1941.84","0.14","100","","100","","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C13 H11 N O -","- C13 H11 N O -","- C104 H88 N8 O8 -","8","1","","Šafář, Peter; Marchalín, Štefan; Šoral, Michal; Moncol, Ján; Daïch, Adam","Structure and Mechanism Revision of a Catalyzed Cyclization of Benzaldehyde Bearing Alkyne-Nitrile.","Organic letters","2017","19","18","4742","4745","10.1021/acs.orglett.7b01881","","","1.54186","CuKα","","0.0502","0.0375","","","0.0862","0.0911","","","","","","1.002","","","","has coordinates","201755","2020-10-21","18:00:00",""
"1546964","6.7038","0.0001","8.3662","0.0002","16.9526","0.0003","90","","93.198","0.001","90","","949.31","0.03","100","2","100","2","","","","","","","","3","P 1 21 1","P 2yb","4","","","","- C21 H28 O7 -","- C21 H28 O7 -","- C42 H56 O14 -","2","1","","Feng, Tao; Li, Xue-Mei; He, Jun; Ai, Hong-Lian; Chen, He-Ping; Li, Xiao-Nian; Li, Zheng-Hui; Liu, Ji-Kai","Nicotabin A, a Sesquiterpenoid Derivative from Nicotiana tabacum.","Organic letters","2017","19","19","5201","5203","10.1021/acs.orglett.7b02559","","","1.54178","CuKα","","0.0543","0.0541","","","0.1709","0.1714","","","","","","1.107","","","","has coordinates","202791","2020-10-21","18:00:00",""
"1546965","6.0773","0.0002","14.9171","0.0006","21.7733","0.0008","90","","90","","90","","1973.87","0.13","110","2","110","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C23 H18 Br N O4 -","- C23 H18 Br N O4 -","- C92 H72 Br4 N4 O16 -","4","1","","Kayal, Satavisha; Mukherjee, Santanu","Catalytic Enantioselective Vinylogous Allylic Alkylation of Coumarins.","Organic letters","2017","19","18","4944","4947","10.1021/acs.orglett.7b02421","","","0.71073","MoKα","","0.0171","0.0166","","","0.0429","0.0431","","","","","","1.057","","","","has coordinates","201757","2020-10-21","18:00:00",""
"1546966","9.2255","0.0001","13.8573","0.0002","15.8051","0.0002","90","","101.43","","90","","1980.46","0.04","100","2","100","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C44 H52 N4 O8 -","- C44 H52 N4 O8 -","- C88 H104 N8 O16 -","2","1","","Yuan, Yu-Xi; Zhang, Yu; Guo, Ling-Li; Wang, Yue-Hu; Goto, Masuo; Morris-Natschke, Susan L; Lee, Kuo-Hsiung; Hao, Xiao-Jiang","Tabercorymines A and B, Two Vobasinyl-Ibogan-Type Bisindole Alkaloids from Tabernaemontana corymbosa.","Organic letters","2017","19","18","4964","4967","10.1021/acs.orglett.7b02445","","","1.54178","CuKα","","0.0326","0.0324","","","0.0858","0.0861","","","","","","1.042","","","","has coordinates","201759","2020-10-21","18:00:00",""
"1546967","19.7501","0.0006","19.7501","0.0006","19.7501","0.0006","90","","90","","90","","7703.9","0.4","100","2","100","2","","","","","","","","6","P 21 3","P 2ac 2ab 3","198","","","","- C85 H121.45 Er K N2 O10 -","- C85.0002 H121.45 Er K N2 O9.9999 -","- C340.001 H485.802 Er4 K4 N8 O39.9996 -","4","0.333333","","Fieser, Megan E.; Palumbo, Chad T.; La Pierre, Henry Storms; Halter, Dominik P.; Voora, Vamsee K.; Ziller, Joseph W.; Furche, Filipp; Meyer, Karsten; Evans, William J.","Comparisons of Lanthanide / Actinide +2 Ions in a Tris(aryloxide)arene Coordination Environment","Chem. Sci.","2017","","","","","10.1039/C7SC02337E","","","0.71073","MoKα","","0.0501","0.0413","","","0.0805","0.0827","","","","","","1.114","","","","has coordinates,has disorder","200357","2020-10-21","18:00:00",""
"1546968","19.773","0.0007","19.773","0.0007","19.773","0.0007","90","","90","","90","","7730.7","0.5","100","2","100","2","","","","","","","","6","P 21 3","P 2ac 2ab 3","198","","","","- C85 H121.6 Dy K N2 O10.6 -","- C85.0002 H121.6 Dy K N2 O10.5999 -","- C340.001 H486.402 Dy4 K4 N8 O42.3996 -","4","0.333333","","Fieser, Megan E.; Palumbo, Chad T.; La Pierre, Henry Storms; Halter, Dominik P.; Voora, Vamsee K.; Ziller, Joseph W.; Furche, Filipp; Meyer, Karsten; Evans, William J.","Comparisons of Lanthanide / Actinide +2 Ions in a Tris(aryloxide)arene Coordination Environment","Chem. Sci.","2017","","","","","10.1039/C7SC02337E","","","0.71073","MoKα","","0.0571","0.0457","","","0.0916","0.0956","","","","","","1.043","","","","has coordinates,has disorder","200357","2020-10-21","18:00:00",""
"1546969","12.7567","0.0011","15.6646","0.0013","29.878","0.003","90","","96.2651","0.0013","90","","5934.8","0.9","133","2","133","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C63 H75 Dy O3 -","- C63 H75 Dy O3 -","- C252 H300 Dy4 O12 -","4","1","","Fieser, Megan E.; Palumbo, Chad T.; La Pierre, Henry Storms; Halter, Dominik P.; Voora, Vamsee K.; Ziller, Joseph W.; Furche, Filipp; Meyer, Karsten; Evans, William J.","Comparisons of Lanthanide / Actinide +2 Ions in a Tris(aryloxide)arene Coordination Environment","Chem. Sci.","2017","","","","","10.1039/C7SC02337E","","","0.71073","MoKα","","0.0852","0.0444","","","0.0821","0.0943","","","","","","0.958","","","","has coordinates","200357","2020-10-21","18:00:00",""
"1546970","19.7291","0.0009","19.7291","0.0009","19.7291","0.0009","90","","90","","90","","7679.3","0.6","88","2","88","2","","","","","","","","6","P 21 3","P 2ac 2ab 3","198","","","","- C85 H121.35 Gd K N2 O10 -","- C85.0002 H121.35 Gd K N2 O9.9999 -","- C340.001 H485.402 Gd4 K4 N8 O39.9996 -","4","0.333333","","Fieser, Megan E.; Palumbo, Chad T.; La Pierre, Henry Storms; Halter, Dominik P.; Voora, Vamsee K.; Ziller, Joseph W.; Furche, Filipp; Meyer, Karsten; Evans, William J.","Comparisons of Lanthanide / Actinide +2 Ions in a Tris(aryloxide)arene Coordination Environment","Chem. Sci.","2017","","","","","10.1039/C7SC02337E","","","0.71073","MoKα","","0.0396","0.0372","","","0.094","0.0951","","","","","","1.222","","","","has coordinates,has disorder","200357","2020-10-21","18:00:00",""
"1546971","12.812","0.003","15.716","0.003","29.962","0.006","90","","96.129","0.002","90","","5998","2","88","2","88","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C63 H75 Gd O3 -","- C63 H75 Gd O3 -","- C252 H300 Gd4 O12 -","4","1","","Fieser, Megan E.; Palumbo, Chad T.; La Pierre, Henry Storms; Halter, Dominik P.; Voora, Vamsee K.; Ziller, Joseph W.; Furche, Filipp; Meyer, Karsten; Evans, William J.","Comparisons of Lanthanide / Actinide +2 Ions in a Tris(aryloxide)arene Coordination Environment","Chem. Sci.","2017","","","","","10.1039/C7SC02337E","","","0.71073","MoKα","","0.0563","0.0339","","","0.0703","0.0766","","","","","","1.014","","","","has coordinates","200357","2020-10-21","18:00:00",""
"1546972","21.7362","0.0014","30.613","0.0019","25.4472","0.0016","90","","90","","90","","16932.8","1.9","133","2","133","2","","","","","","","","5","P b c n","-P 2n 2ab","60","","","","- C91 H131.5 Dy K O13 -","- C91 H131.5 Dy K O13 -","- C728 H1052 Dy8 K8 O104 -","8","1","","Fieser, Megan E.; Palumbo, Chad T.; La Pierre, Henry Storms; Halter, Dominik P.; Voora, Vamsee K.; Ziller, Joseph W.; Furche, Filipp; Meyer, Karsten; Evans, William J.","Comparisons of Lanthanide / Actinide +2 Ions in a Tris(aryloxide)arene Coordination Environment","Chem. Sci.","2017","","","","","10.1039/C7SC02337E","","","0.71073","MoKα","","0.078","0.0583","","","0.1389","0.1486","","","","","","1.101","","","","has coordinates,has disorder","200357","2020-10-21","18:00:00",""
"1546973","13.904","0.003","15.774","0.003","16.856","0.003","99.238","0.003","109.444","0.002","106.032","0.003","3217.8","1.1","133","2","133","2","","","","","","","","3","P -1","-P 1","2","","","","- C75 H108 O6 -","- C75 H108 O6 -","- C150 H216 O12 -","2","1","","Fieser, Megan E.; Palumbo, Chad T.; La Pierre, Henry Storms; Halter, Dominik P.; Voora, Vamsee K.; Ziller, Joseph W.; Furche, Filipp; Meyer, Karsten; Evans, William J.","Comparisons of Lanthanide / Actinide +2 Ions in a Tris(aryloxide)arene Coordination Environment","Chem. Sci.","2017","","","","","10.1039/C7SC02337E","","","0.71073","MoKα","","0.1119","0.057","","","0.1267","0.1517","","","","","","0.985","","","","has coordinates","200357","2020-10-21","18:00:00",""
"1546974","12.7631","0.0014","15.646","0.0017","29.91","0.003","90","","96.4368","0.0015","90","","5935.1","1.1","133","2","133","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C63 H75 Er O3 -","- C63 H75 Er O3 -","- C252 H300 Er4 O12 -","4","1","","Fieser, Megan E.; Palumbo, Chad T.; La Pierre, Henry Storms; Halter, Dominik P.; Voora, Vamsee K.; Ziller, Joseph W.; Furche, Filipp; Meyer, Karsten; Evans, William J.","Comparisons of Lanthanide / Actinide +2 Ions in a Tris(aryloxide)arene Coordination Environment","Chem. Sci.","2017","","","","","10.1039/C7SC02337E","","","0.71073","MoKα","","0.0565","0.0335","","","0.0672","0.0741","","","","","","0.985","","","","has coordinates","200357","2020-10-21","18:00:00",""
"1546975","11.5124","0.001","36.81","0.003","11.9512","0.001","90","","106.73","0.0009","90","","4850.2","0.7","88","2","88","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C63 H75 Nd O3 -","- C63 H75 Nd O3 -","- C252 H300 Nd4 O12 -","4","1","","Fieser, Megan E.; Palumbo, Chad T.; La Pierre, Henry Storms; Halter, Dominik P.; Voora, Vamsee K.; Ziller, Joseph W.; Furche, Filipp; Meyer, Karsten; Evans, William J.","Comparisons of Lanthanide / Actinide +2 Ions in a Tris(aryloxide)arene Coordination Environment","Chem. Sci.","2017","","","","","10.1039/C7SC02337E","","","0.71073","MoKα","","0.0551","0.0453","","","0.0825","0.085","","","","","","1.228","","","","has coordinates","200357","2020-10-21","18:00:00",""
"1546976","19.798","0.003","19.798","0.003","19.798","0.003","90","","90","","90","","7760","2","133","2","133","2","","","","","","","","6","P 21 3","P 2ac 2ab 3","198","","","","- C85 H121.37 Dy K N2 O10 -","- C85.0002 H121.37 Dy K N2 O9.9999 -","- C340.001 H485.482 Dy4 K4 N8 O39.9996 -","4","0.333333","","Fieser, Megan E.; Palumbo, Chad T.; La Pierre, Henry Storms; Halter, Dominik P.; Voora, Vamsee K.; Ziller, Joseph W.; Furche, Filipp; Meyer, Karsten; Evans, William J.","Comparisons of Lanthanide / Actinide +2 Ions in a Tris(aryloxide)arene Coordination Environment","Chem. Sci.","2017","","","","","10.1039/C7SC02337E","","","0.71073","MoKα","","0.045","0.0417","","","0.0959","0.097","","","","","","1.218","","","","has coordinates,has disorder","200358","2020-10-21","18:00:00",""
"1546977","6.183","0.0007","11.5573","0.0013","17.814","0.002","90","","90","","90","","1273","0.2","100","2","100","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C14 H16 N2 O S -","- C14 H16 N2 O S -","- C56 H64 N8 O4 S4 -","4","1","","Zhou, Min; Ma, Hang-Ying; Xing, Huan-Huan; Li, Ping; Li, Gan-Peng; Geng, Hui-Chun; Hu, Qiu-Fen; Yang, Guang-Yu","Biomimetic Synthesis of Macahydantoins A and B from Lepidium meyenii, and Structure Revision of Macahydantoin B as a Class of Thiohydantoin with a 4-Methyl-hexahydropyrrolo[1,2-c]imidazole Skeleton.","Organic letters","2017","19","18","4952","4955","10.1021/acs.orglett.7b02433","","","0.71073","MoKα","","0.0832","0.0761","","","0.1882","0.1935","","","","","","1.057","","","","has coordinates","201754","2020-10-21","18:00:00",""
"1546978","8.63","0.002","9.462","0.002","10.851","0.003","77.707","0.002","71.394","0.002","74.71","0.002","802","0.3","100","2","100","2","","","","","","","","4","P -1","-P 1","2","","","","- C18 H17 F3 O3 -","- C18 H17 F3 O3 -","- C36 H34 F6 O6 -","2","1","","Mutoh, Yuichiro; Mohara, Yusei; Saito, Shinichi","(Z)-Selective Hydrosilylation of Terminal Alkynes with HSiMe(OSiMe3)2 Catalyzed by a Ruthenium Complex Containing an N-Heterocyclic Carbene.","Organic letters","2017","19","19","5204","5207","10.1021/acs.orglett.7b02477","","","0.71073","MoKα","","0.0501","0.0462","","","0.1204","0.1251","","","","","","1.123","","","","has coordinates","202808","2020-10-21","18:00:00",""
"1546979","10.5268","0.0011","14.1611","0.0015","15.3518","0.0016","90","","95.76","0.001","90","","2277","0.4","100","2","100","2","","","","","","","","7","P 1 21 1","P 2yb","4","","","","- C46 H70 Cl N2 O P Ru -","- C46 H70 Cl N2 O P Ru -","- C92 H140 Cl2 N4 O2 P2 Ru2 -","2","1","","Mutoh, Yuichiro; Mohara, Yusei; Saito, Shinichi","(Z)-Selective Hydrosilylation of Terminal Alkynes with HSiMe(OSiMe3)2 Catalyzed by a Ruthenium Complex Containing an N-Heterocyclic Carbene.","Organic letters","2017","19","19","5204","5207","10.1021/acs.orglett.7b02477","","","0.71073","MoKα","","0.0227","0.0216","","","0.0488","0.0493","","","","","","1.02","","","","has coordinates,has disorder","202808","2020-10-21","18:00:00",""
"1546980","12.1942","0.0014","17.651","0.002","18.374","0.002","90","","103.235","0.001","90","","3849.8","0.7","100","2","100","2","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C40 H60 Cl N2 O P Ru -","- C40 H60 Cl N2 O P Ru -","- C160 H240 Cl4 N8 O4 P4 Ru4 -","4","1","","Mutoh, Yuichiro; Mohara, Yusei; Saito, Shinichi","(Z)-Selective Hydrosilylation of Terminal Alkynes with HSiMe(OSiMe3)2 Catalyzed by a Ruthenium Complex Containing an N-Heterocyclic Carbene.","Organic letters","2017","19","19","5204","5207","10.1021/acs.orglett.7b02477","","","0.71073","MoKα","","0.0415","0.0324","","","0.0742","0.0782","","","","","","1.022","","","","has coordinates,has disorder","202808","2020-10-21","18:00:00",""
"1546981","13.5479","0.0019","9.9822","0.0012","15.552","0.002","90","","114.145","0.003","90","","1919.2","0.4","113","2","113","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C16 H20 N6 O6 S -","- C16 H20 N6 O6 S -","- C64 H80 N24 O24 S4 -","4","1","","Zhou, Shaa; Hua, Xue-Wen; Wei, Wei; Gu, Yu-Cheng; Liu, Xiao-Qing; Chen, Jing-Huo; Chen, Ming-Gui; Xie, Yong-Tao; Zhou, Sha; Meng, Xiang-De; Zhang, Yan; Li, Yong-Hong; Wang, Bao-Lei; Song, Hai-Bin; Li, Zheng-Ming","Research on Controllable Degradation of Novel Sulfonylurea Herbicides in Acidic and Alkaline Soils.","Journal of agricultural and food chemistry","2017","65","35","7661","7668","10.1021/acs.jafc.7b03029","","","0.71075","MoKα","","0.1269","0.1195","","","0.3439","0.3482","","","","","","1.116","","","","has coordinates","200441","2020-10-21","18:00:00",""
"1546982","11.1064","0.0003","21.5351","0.0006","12.1674","0.0003","90","","105.031","0.0009","90","","2810.6","0.13","173","2","173","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C32 H35 N3 Ni O3 -","- C32 H35 N3 Ni O3 -","- C128 H140 N12 Ni4 O12 -","4","2","","McKinnie, Shaun M. K.; Wang, Wang; Fischer, Conrad; McDonald, Tyler; Kalin, Kevin R.; Iturrioz, Xavier; Llorens-Cortes, Catherine; Oudit, Gavin Y.; Vederas, John C.","Synthetic Modification within the ""RPRL"" Region of Apelin Peptides: Impact on Cardiovascular Activity and Stability to Neprilysin and Plasma Degradation.","Journal of medicinal chemistry","2017","60","14","6408","6427","10.1021/acs.jmedchem.7b00723","","","1.54178","CuKα","","0.0213","0.0212","","","0.0573","0.0574","","","","","","1.028","","","","has coordinates","200442","2020-10-21","18:00:00",""
"1546983","8.906","0.006","19.873","0.013","15.385","0.01","90","","89.763","0.011","90","","2723","3","293","","293","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C33 H25 Cl N2 O4 -","- C33 H25 Cl N2 O3.97 -","- C132 H100 Cl4 N8 O15.88 -","4","1","","Harlé, Jean-Baptiste; Mine, Shinya; Kamegawa, Takashi; Nguyen, Van Tay; Maeda, Takeshi; Nakazumi, Hiroyuki; Fujiwara, Hideki","Deep Blue Asymmetrical Streptocyanine Dyes: Synthesis, Spectroscopic Characterizations, and Ion-Specific Cooperative Adsorption at the Surface of TiO2 Anatase Nanoparticles","The Journal of Physical Chemistry C","2017","121","28","15049","","10.1021/acs.jpcc.7b03046","","","0.71075","MoKα","","","0.0933","","","","0.1107","","","","","","1.047","","","","has coordinates","200476","2020-10-21","18:00:00",""
"1546984","9.469","0.004","10.302","0.006","14.831","0.007","100.015","0.012","93.889","0.01","98.216","0.016","1403.7","1.2","293","","293","","","","","","","","","6","P -1","-P 1","2","","","","- C33 H25 B F4 N2 O2 -","- C33 H25 B F4 N2 O2 -","- C66 H50 B2 F8 N4 O4 -","2","1","","Harlé, Jean-Baptiste; Mine, Shinya; Kamegawa, Takashi; Nguyen, Van Tay; Maeda, Takeshi; Nakazumi, Hiroyuki; Fujiwara, Hideki","Deep Blue Asymmetrical Streptocyanine Dyes: Synthesis, Spectroscopic Characterizations, and Ion-Specific Cooperative Adsorption at the Surface of TiO2 Anatase Nanoparticles","The Journal of Physical Chemistry C","2017","121","28","15049","","10.1021/acs.jpcc.7b03046","","","0.71075","MoKα","","","0.1255","","","","0.1194","","","","","","1.064","","","","has coordinates","200476","2020-10-21","18:00:00",""
"1546985","15.576","0.004","13.62","0.003","30.334","0.008","90","","92.976","0.006","90","","6427","3","293","","293","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C35 H29 Cl N2 O6 -","- C35 H29 Cl N2 O6 -","- C280 H232 Cl8 N16 O48 -","8","2","","Harlé, Jean-Baptiste; Mine, Shinya; Kamegawa, Takashi; Nguyen, Van Tay; Maeda, Takeshi; Nakazumi, Hiroyuki; Fujiwara, Hideki","Deep Blue Asymmetrical Streptocyanine Dyes: Synthesis, Spectroscopic Characterizations, and Ion-Specific Cooperative Adsorption at the Surface of TiO2 Anatase Nanoparticles","The Journal of Physical Chemistry C","2017","121","28","15049","","10.1021/acs.jpcc.7b03046","","","0.71075","MoKα","","","0.0941","","","","0.1188","","","","","","1.021","","","","has coordinates","214153","2020-10-21","18:00:00",""
"1546986","19.4248","0.0014","22.9964","0.0016","16.8921","0.0013","90","","112.874","0.002","90","","6952.3","0.9","285","","284.98","","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C47 H42 O0.5 -","- C47 H42 O0.5 -","- C376 H336 O4 -","8","2","","Ou, Chang-Jin; Ding, Xue-Hua; Li, Yin-Xiang; Zhu, Can; Yu, Meng-Na; Xie, Ling-Hai; Lin, Jin-Yi; Xu, Chun-Xiang; Huang, Wei","Conformational Effect of Polymorphic Terfluorene on Photophysics, Crystal Morphologies, and Lasing Behaviors","The Journal of Physical Chemistry C","2017","121","27","14803","","10.1021/acs.jpcc.7b03366","","x-ray","0.71073","MoKα","","0.1815","0.0696","","","0.1446","0.1865","","","","","","1.024","","","","has coordinates","200477","2020-10-21","18:00:00",""
"1546987","10.9011","0.0007","12.3189","0.001","13.9641","0.001","104.914","0.007","97.452","0.006","113.494","0.007","1603.7","0.2","293","2","293.15","","","","","","","","","6","P -1","-P 1","2","","","","- C39 H33 N2 O2 P S -","- C39 H33 N2 O2 P S -","- C78 H66 N4 O4 P2 S2 -","2","1","","Xu, Liguo; Hu, Rongrong; Tang, Ben Zhong","Room Temperature Multicomponent Polymerizations of Alkynes, Sulfonyl Azides, and Iminophosphorane toward Heteroatom-Rich Multifunctional Poly(phosphorus amidine)s","Macromolecules","2017","50","16","6043","","10.1021/acs.macromol.7b01096","","","0.71073","MoKα","","0.0786","0.0527","","","0.1184","0.1394","","","","","","1.027","","","","has coordinates","200484","2020-10-21","18:00:00",""
"1546988","10.868","0.005","18.047","0.005","18.198","0.005","80.511","0.005","84.82","0.005","80.357","0.005","3463","2","298","2","298","2","","","","","","","","7","P -1","-P 1","2","","","","- C80 H70 Br2 F6 N2 Ni O2 -","- C80 H70 Br2 F6 N2 Ni O2 -","- C160 H140 Br4 F12 N4 Ni2 O4 -","2","1","","Lian, Kunbo; Zhu, Yun; Li, Weimin; Dai, Shengyu; Chen, Changle","Direct Synthesis of Thermoplastic Polyolefin Elastomers from Nickel-Catalyzed Ethylene Polymerization","Macromolecules","2017","50","16","6074","","10.1021/acs.macromol.7b01087","","","0.71069","MoKα","","0.0778","0.0758","","","0.2361","0.2382","","","","","","0.883","","","","has coordinates","200485","2020-10-21","18:00:00",""
"1546989","12.3168","0.0003","32.5315","0.0007","19.0366","0.0004","90","","101.275","0.002","90","","7480.4","0.3","150","2","150","2","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C77 H65 B F24 N2 O2 Pd -","- C77 H65 B F24 N2 O2 Pd -","- C308 H260 B4 F96 N8 O8 Pd4 -","4","1","","Zhong, Shuhuang; Tan, Yingxin; Zhong, Liu; Gao, Jie; Liao, Heng; Jiang, Long; Gao, Haiyang; Wu, Qing","Precision Synthesis of Ethylene and Polar Monomer Copolymers by Palladium-Catalyzed Living Coordination Copolymerization","Macromolecules","2017","50","15","5661","","10.1021/acs.macromol.7b01132","","x-ray","0.71073","MoKα","","0.0723","0.0546","","","0.1331","0.1463","","","","","","1.02","","","","has coordinates,has disorder","200486","2020-10-21","18:00:00",""
"1546990","12.8041","0.0003","16.33","0.0003","17.5886","0.0004","83.648","0.002","84.794","0.002","86.404","0.002","3634.8","0.14","150","2","150","2","","","","","","","","6","P -1","-P 1","2","","","","- C75 H62 B F24 N3 Pd -","- C75 H62 B F24 N3 Pd -","- C150 H124 B2 F48 N6 Pd2 -","2","1","","Zhong, Shuhuang; Tan, Yingxin; Zhong, Liu; Gao, Jie; Liao, Heng; Jiang, Long; Gao, Haiyang; Wu, Qing","Precision Synthesis of Ethylene and Polar Monomer Copolymers by Palladium-Catalyzed Living Coordination Copolymerization","Macromolecules","2017","50","15","5661","","10.1021/acs.macromol.7b01132","","x-ray","1.54184","CuKα","","0.0399","0.0358","","","0.0915","0.0975","","","","","","1.06","","","","has coordinates,has disorder","200487","2020-10-21","18:00:00",""
"1546991","19.785","0.008","10.825","0.002","18.145","0.005","90","","107.375","0.008","90","","3708.8","1.9","150","2","150","2","","","","","","","","5","I 1 a 1","I -2ya","9","","","","- C41 H47 Cl N2 Pd -","- C41 H47 Cl N2 Pd -","- C164 H188 Cl4 N8 Pd4 -","4","1","","Zhong, Shuhuang; Tan, Yingxin; Zhong, Liu; Gao, Jie; Liao, Heng; Jiang, Long; Gao, Haiyang; Wu, Qing","Precision Synthesis of Ethylene and Polar Monomer Copolymers by Palladium-Catalyzed Living Coordination Copolymerization","Macromolecules","2017","50","15","5661","","10.1021/acs.macromol.7b01132","","x-ray","0.71073","MoKα","","0.0752","0.0471","","","0.0906","0.1028","","","","","","0.948","","","","has coordinates","200488","2020-10-21","18:00:00",""
"1546992","19.2095","0.0011","8.4395","0.0005","27.5953","0.0012","90","","113.721","0.003","90","","4095.8","0.4","100","2","100","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C29 H20 O2 -","- C29 H20 O2 -","- C232 H160 O16 -","8","2","","Guo, Guiyu; Wan, Saihong; Si, Xiaodong; Jiang, Qijian; Jia, Yuanyuan; Yang, Luo; Zhou, Wang","From Simple to Complex: Rhodium(III)-Catalyzed C-C Bond Cleavage and C-H Bond Functionalization for the Synthesis of 3a,8b-Dihydro-1H-cyclopenta[b]benzofuran-1-ones.","Organic letters","2017","19","19","5026","5029","10.1021/acs.orglett.7b02052","","","0.71073","MoKα","","0.0687","0.0428","","","0.1109","0.1223","","","","","","1.048","","","","has coordinates","202785","2020-10-21","18:00:00",""
"1546993","10.697","0.007","9.083","0.006","35.93","0.02","90","","90","","90","","3491","4","296","2","296","2","","","","","","","","3","P b c a","-P 2ac 2ab","61","","","","- C24 H18 O2 -","- C24 H18 O2 -","- C192 H144 O16 -","8","1","","Guo, Guiyu; Wan, Saihong; Si, Xiaodong; Jiang, Qijian; Jia, Yuanyuan; Yang, Luo; Zhou, Wang","From Simple to Complex: Rhodium(III)-Catalyzed C-C Bond Cleavage and C-H Bond Functionalization for the Synthesis of 3a,8b-Dihydro-1H-cyclopenta[b]benzofuran-1-ones.","Organic letters","2017","19","19","5026","5029","10.1021/acs.orglett.7b02052","","","0.71073","MoKα","","0.0551","0.0401","","","0.0956","0.1051","","","","","","1.024","","","","has coordinates","202785","2020-10-21","18:00:00",""
"1546994","9.6575","0.001","16.1093","0.0016","15.3346","0.0016","90","","103.579","0.002","90","","2319","0.4","296","2","296","2","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","","","- C31 H24 O2 -","- C31 H24 O2 -","- C124 H96 O8 -","4","1","","Guo, Guiyu; Wan, Saihong; Si, Xiaodong; Jiang, Qijian; Jia, Yuanyuan; Yang, Luo; Zhou, Wang","From Simple to Complex: Rhodium(III)-Catalyzed C-C Bond Cleavage and C-H Bond Functionalization for the Synthesis of 3a,8b-Dihydro-1H-cyclopenta[b]benzofuran-1-ones.","Organic letters","2017","19","19","5026","5029","10.1021/acs.orglett.7b02052","","","0.71073","MoKα","","0.0541","0.0385","","","0.102","0.114","","","","","","1.001","","","","has coordinates,has disorder","202785","2020-10-21","18:00:00",""
"1546995","18.548","0.004","11.9461","0.0013","18.0773","0.0018","90","","96.376","0.014","90","","3980.7","1","150","","150","","","","","","","","","5","C 1 2 1","C 2y","5","","Compound 24","","- C17.67 H21.28 Cl1.3 N0.89 O1.78 -","- C17.6724 H21.2813 Cl1.30222 N0.888889 O1.77778 -","- C159.052 H191.532 Cl11.72 N8 O16 -","9","2.25","","Dixon, Darren; Xie, Lan-Gui","Tertiary Amine Synthesis via Reductive Coupling of Amides with Grignard Reagents","Chem. Sci.","2017","","","","","10.1039/C7SC03613B","","","1.54184","CuKα","","0.1184","0.0893","","0.2966","0.2241","0.2959","","","","","","1.0347","","","","has coordinates,has disorder","200505","2020-10-21","18:00:00",""
"1546996","18.6598","0.0007","18.6598","0.0007","18.6598","0.0007","90","","90","","90","","6497.1","0.4","103","2","103","2","","","","","","","","4","P 21 3","P 2ac 2ab 3","198","","","","- C8 H8 Cd2 N20 -","- C8 H8 Cd2 N20.0033 -","- C96 H96 Cd24 N240.04 -","12","1","","He, Chun-Ting; Ye, Zi-Ming; Xu, Yantong; Zhou, Dong-Dong; Zhou, Hao-Long; Chen, Da; Zhang, Jie-Peng; Chen, Xiao-Ming","Hyperfine Adjustment of Flexible Pore-Surface Pockets Enables Smart Recognitions of Gas Size and Quadrupole Moment","Chem. Sci.","2017","","","","","10.1039/C7SC03067C","","","0.71073","MoKα","","0.0255","0.0246","","","0.0596","0.0603","","","","","","1.017","","","","has coordinates","200507","2020-10-21","18:00:00",""
"1546997","17.6639","0.0019","17.6639","0.0019","17.6639","0.0019","90","","90","","90","","5511.4","1","103","2","103","2","","","","","","","","4","F d -3 m :2","-F 4vw 2vw 3","227","","","","- C4 H4 N6 Zn -","- C4 H4 N6 Zn -","- C96 H96 N144 Zn24 -","24","0.125","","He, Chun-Ting; Ye, Zi-Ming; Xu, Yantong; Zhou, Dong-Dong; Zhou, Hao-Long; Chen, Da; Zhang, Jie-Peng; Chen, Xiao-Ming","Hyperfine Adjustment of Flexible Pore-Surface Pockets Enables Smart Recognitions of Gas Size and Quadrupole Moment","Chem. Sci.","2017","","","","","10.1039/C7SC03067C","","","0.71073","MoKα","","0.0354","0.034","","","0.0989","0.1006","","","","","","1.019","","","","has coordinates","200507","2020-10-21","18:00:00",""
"1546998","18.148","0.002","18.148","0.002","18.148","0.002","90","","90","","90","","5977","1.1","103","2","103","2","","","","","","","","4","F d -3 m :2","-F 4vw 2vw 3","227","","","","- C4 H4 Mn N6 -","- C4 H4 Mn N6 -","- C96 H96 Mn24 N144 -","24","0.125","","He, Chun-Ting; Ye, Zi-Ming; Xu, Yantong; Zhou, Dong-Dong; Zhou, Hao-Long; Chen, Da; Zhang, Jie-Peng; Chen, Xiao-Ming","Hyperfine Adjustment of Flexible Pore-Surface Pockets Enables Smart Recognitions of Gas Size and Quadrupole Moment","Chem. Sci.","2017","","","","","10.1039/C7SC03067C","","","0.71073","MoKα","","0.0272","0.0253","","","0.062","0.0629","","","","","","1.025","","","","has coordinates","200507","2020-10-21","18:00:00",""
"1546999","18.143","0.004","18.143","0.004","18.143","0.004","90","","90","","90","","5972","2","153","2","153","2","","","","","","","","5","F d -3 m :2","-F 4vw 2vw 3","227","","","","- C48 H48 Mn12 N72 O12 -","- C48 H48 Mn12 N72 O12.16 -","- C96 H96 Mn24 N144 O24.32 -","2","0.0104167","","He, Chun-Ting; Ye, Zi-Ming; Xu, Yantong; Zhou, Dong-Dong; Zhou, Hao-Long; Chen, Da; Zhang, Jie-Peng; Chen, Xiao-Ming","Hyperfine Adjustment of Flexible Pore-Surface Pockets Enables Smart Recognitions of Gas Size and Quadrupole Moment","Chem. Sci.","2017","","","","","10.1039/C7SC03067C","","","0.71073","MoKα","","0.0389","0.0293","","","0.0748","0.08","","","","","","1.016","","","","has coordinates","200507","2020-10-21","18:00:00",""
"1547000","18.6249","0.0018","18.6249","0.0018","18.6249","0.0018","90","","90","","90","","6460.7","1.1","103","2","103","2","","","","","","","","4","F d -3 m :2","-F 4vw 2vw 3","227","","","","- C4 H4 Cd N6 -","- C4 H4 Cd N6 -","- C96 H96 Cd24 N144 -","24","0.125","","He, Chun-Ting; Ye, Zi-Ming; Xu, Yantong; Zhou, Dong-Dong; Zhou, Hao-Long; Chen, Da; Zhang, Jie-Peng; Chen, Xiao-Ming","Hyperfine Adjustment of Flexible Pore-Surface Pockets Enables Smart Recognitions of Gas Size and Quadrupole Moment","Chem. Sci.","2017","","","","","10.1039/C7SC03067C","","","0.71073","MoKα","","0.0216","0.0193","","","0.0466","0.0484","","","","","","1.037","","","","has coordinates","200507","2020-10-21","18:00:00",""
"1547001","18.6035","0.0013","18.6035","0.0013","18.6035","0.0013","90","","90","","90","","6438.5","0.8","103","2","103","2","","","","","","","","4","F d -3 m :2","-F 4vw 2vw 3","227","","","","- C4 H4 Cd N7 -","- C4 H4 Cd N6.98667 -","- C96 H96 Cd24 N167.68 -","24","0.125","","He, Chun-Ting; Ye, Zi-Ming; Xu, Yantong; Zhou, Dong-Dong; Zhou, Hao-Long; Chen, Da; Zhang, Jie-Peng; Chen, Xiao-Ming","Hyperfine Adjustment of Flexible Pore-Surface Pockets Enables Smart Recognitions of Gas Size and Quadrupole Moment","Chem. Sci.","2017","","","","","10.1039/C7SC03067C","","","0.71073","MoKα","","0.0184","0.0166","","","0.0461","0.0485","","","","","","1.044","","","","has coordinates,has disorder","200507","2020-10-21","18:00:00",""
"1547002","18.6158","0.0019","18.6158","0.0019","18.6158","0.0019","90","","90","","90","","6451.3","1.1","103","2","103","2","","","","","","","","5","F d -3 m :2","-F 4vw 2vw 3","227","","","","- C4 H4.1 Cd N6 O0.82 -","- C4 H4.08 Cd N6 O0.813333 -","- C96 H97.92 Cd24 N144 O19.52 -","24","0.125","","He, Chun-Ting; Ye, Zi-Ming; Xu, Yantong; Zhou, Dong-Dong; Zhou, Hao-Long; Chen, Da; Zhang, Jie-Peng; Chen, Xiao-Ming","Hyperfine Adjustment of Flexible Pore-Surface Pockets Enables Smart Recognitions of Gas Size and Quadrupole Moment","Chem. Sci.","2017","","","","","10.1039/C7SC03067C","","","0.71073","MoKα","","0.0285","0.0246","","","0.0678","0.0725","","","","","","1.087","","","","has coordinates","200507","2020-10-21","18:00:00",""
"1547003","17.656","0.002","17.656","0.002","17.656","0.002","90","","90","","90","","5504","1.1","103","2","103","2","","","","","","","","4","F d -3 m :2","-F 4vw 2vw 3","227","","","","- C4 H4 N8 Zn -","- C4 H4 N7.97333 Zn -","- C96 H96 N191.36 Zn24 -","24","0.125","","He, Chun-Ting; Ye, Zi-Ming; Xu, Yantong; Zhou, Dong-Dong; Zhou, Hao-Long; Chen, Da; Zhang, Jie-Peng; Chen, Xiao-Ming","Hyperfine Adjustment of Flexible Pore-Surface Pockets Enables Smart Recognitions of Gas Size and Quadrupole Moment","Chem. Sci.","2017","","","","","10.1039/C7SC03067C","","","0.71073","MoKα","","0.0233","0.0198","","","0.0483","0.0503","","","","","","1.049","","","","has coordinates,has disorder","200507","2020-10-21","18:00:00",""
"1547004","17.715","0.003","17.715","0.003","17.715","0.003","90","","90","","90","","5559.3","1.6","93","2","93","2","","","","","","","","5","F d -3 m :2","-F 4vw 2vw 3","227","","","","- C4 H4 N6 O1.33 Zn -","- C4 H4 N6 O1.33333 Zn -","- C96 H96 N144 O32 Zn24 -","24","0.125","","He, Chun-Ting; Ye, Zi-Ming; Xu, Yantong; Zhou, Dong-Dong; Zhou, Hao-Long; Chen, Da; Zhang, Jie-Peng; Chen, Xiao-Ming","Hyperfine Adjustment of Flexible Pore-Surface Pockets Enables Smart Recognitions of Gas Size and Quadrupole Moment","Chem. Sci.","2017","","","","","10.1039/C7SC03067C","","","0.71073","MoKα","","0.0339","0.0295","","","0.0685","0.0716","","","","","","1.034","","","","has coordinates","200507","2020-10-21","18:00:00",""
"1547005","10.9714","0.0009","16.4516","0.0014","15.508","0.0013","90","","97.083","0.001","90","","2777.8","0.4","100","2","100","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C30 H28 N2 O8 S -","- C30 H28 N2 O8 S -","- C120 H112 N8 O32 S4 -","4","2","","Yue, Deng-Feng; Zhao, Jian-Qiang; Chen, Xiao-Zhen; Zhou, Yan; Zhang, Xiao-Mei; Xu, Xiao-Ying; Yuan, Wei-Cheng","Multiple Hydrogen-Bonding Bifunctional Thiourea-Catalyzed Asymmetric Dearomative [4 + 2] Annulation of 3-Nitroindoles: Highly Enantioselective Access to Hydrocarbazole Skeletons.","Organic letters","2017","19","17","4508","4511","10.1021/acs.orglett.7b02068","","","0.71073","MoKα","","0.032","0.0295","","","0.0804","0.0824","","","","","","1.049","","","","has coordinates","200514","2020-10-21","18:00:00",""
"1547006","17.34103","0.00012","17.34103","0.00012","15.00551","0.0001","90","","90","","120","","3907.79","0.05","273","","273","","","","","","","","","6","P 65","P 65","170","","(S)-4-amino-2-(6-chloro-1-(3,3,4,4,4-pentafluorobutyl) -1H-indazol-3-yl)-5-methyl-5-phenyl-5,7-dihydro -6H-pyrrolo[2,3-d]pyrimidin-6-one","","- C24 H18 Cl F5 N6 O -","- C24 H18 Cl F5 N6 O -","- C144 H108 Cl6 F30 N36 O6 -","6","1","","Whitehead, Alan; Zhang, Yong; McCabe Dunn, Jamie; Sherer, Edward C.; Lam, Yu-Hong; Stelmach, John; Sun, Aaron; Shiroda, Melisa; Orr, Robert K.; Waddell, Sherman T.; Raghavan, Subharekha","Selective Formation of Functionalized α-Quaternary Malononitriles toward 5,5-Disubstituted Pyrrolopyrimidinones.","Organic letters","2017","19","17","4448","4451","10.1021/acs.orglett.7b01930","","x-ray","1.5418","CuKα","","0.0313","0.0288","","","0.0757","0.0769","","","","","","1.031","","","","has coordinates","200515","2020-10-21","18:00:00",""
"1547007","9.8273","0.0009","11.3792","0.0011","11.6772","0.0011","75.657","0.005","86.929","0.005","87.177","0.004","1262.4","0.2","298","","298","","","","","","","","","3","P -1","-P 1","2","","","","- C13 H22 O4 -","- C13 H22 O4 -","- C52 H88 O16 -","4","2","","Li, Shuang; Zhang, Pengpeng; Li, Yuanhe; Lu, Shumin; Gong, Jianxian; Yang, Zhen","Diastereoselective Synthesis of Diquinanes and Triquinanes Bearing Vicinal Quaternary Carbon Stereocenters from Acyclic Allene-based Precursors via a Cascade Reaction.","Organic letters","2017","19","17","4416","4419","10.1021/acs.orglett.7b01733","","x-ray","1.54178","CuKα","","0.057","0.0433","","","0.0961","0.1039","","","","","","1.045","","","","has coordinates,has disorder","200516","2020-10-21","18:00:00",""
"1547008","8.676","0.0008","10.2291","0.0011","15.0456","0.0019","88.703","0.008","82.757","0.007","70.564","0.006","1248.9","0.2","113","2","113","2","","","","","","","","5","P -1","-P 1","2","","","","- C26 H30 N2 O6 S -","- C26 H30 N2 O6 S -","- C52 H60 N4 O12 S2 -","2","1","","Jia, Penghao; Zhang, Qinglong; Ou, Qima; Huang, You","Sequential [1 + 4]- and [2 + 3]-Annulation of Prop-2-ynylsulfonium Salts: Access to Hexahydropyrrolo[3,2-b]indoles.","Organic letters","2017","19","17","4664","4667","10.1021/acs.orglett.7b02298","","","0.71073","MoKα","","0.0363","0.032","","","0.1051","0.1143","","","","","","1.048","","","","has coordinates","200517","2020-10-21","18:00:00",""
"1547009","8.727","0.0004","7.2341","0.0003","14.172","0.0006","90","","100.811","0.0017","90","","878.83","0.07","100","2","100","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C21 H19 N3 O2 -","- C21 H19 N3 O2 -","- C42 H38 N6 O4 -","2","1","","Verho, Oscar; Maetani, Micah; Melillo, Bruno; Zoller, Jochen; Schreiber, Stuart L.","Stereospecific Palladium-Catalyzed C-H Arylation of Pyroglutamic Acid Derivatives at the C3 Position Enabled by 8-Aminoquinoline as a Directing Group.","Organic letters","2017","19","17","4424","4427","10.1021/acs.orglett.7b01776","","","1.54178","CuKα","","0.0261","0.0259","","","0.0681","0.0683","","","","","","1.044","","","","has coordinates","200518","2020-10-21","18:00:00",""
"1547010","15.2424","0.0015","18.1764","0.0016","23.33","0.002","90","","90.142","0.001","90","","6463.6","1","298","2","298","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C33 H24 N O2 P -","- C33 H24 N O2 P -","- C264 H192 N8 O16 P8 -","8","1","","Li, Jie; Zhang, Wen-Wen; Wei, Xiao-Jing; Hao, Wen-Juan; Li, Guigen; Tu, Shu-Jiang; Jiang, Bo","Synthesis of Tribenzo[b,e,g]phosphindole Oxides via Radical Bicyclization Cascades of o-Arylalkynylanilines.","Organic letters","2017","19","17","4512","4515","10.1021/acs.orglett.7b02071","","","0.71073","MoKα","","0.1248","0.0628","","","0.1434","0.1554","","","","","","1.043","","","","has coordinates","200519","2020-10-21","18:00:00",""
"1547011","35.217","0.0007","5.7717","0.0001","14.5002","0.0002","90","","101.811","0.002","90","","2884.94","0.09","100","0.1","100","0.1","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C18 H17 F N2 O -","- C18 H17 F N2 O -","- C144 H136 F8 N16 O8 -","8","2","","Jackl, Moritz K.; Legnani, Luca; Morandi, Bill; Bode, Jeffrey W.","Continuous Flow Synthesis of Morpholines and Oxazepanes with Silicon Amine Protocol (SLAP) Reagents and Lewis Acid Facilitated Photoredox Catalysis.","Organic letters","2017","19","17","4696","4699","10.1021/acs.orglett.7b02395","","x-ray","1.54184","CuKα","","0.039","0.035","","","0.0917","0.094","","","","","","1.031","","","","has coordinates","200520","2020-10-21","18:00:00",""
"1547012","9.2809","0.0004","12.2308","0.0006","15.3442","0.0007","90","","105.217","0.002","90","","1680.7","0.13","100","2","100","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","LCM1-059P","sarpong92","","- C20 H22 O5 -","- C20 H22 O5 -","- C80 H88 O20 -","4","1","","Pflueger, Jason J.; Morrill, Louis C.; deGruyter, Justine N; Perea, Melecio A.; Sarpong, Richmond","Magnesiate Addition/Ring-Expansion Strategy To Access the 6-7-6 Tricyclic Core of Hetisine-Type C20-Diterpenoid Alkaloids.","Organic letters","2017","19","17","4632","4635","10.1021/acs.orglett.7b02260","","","1.54178","CuKα","","0.0403","0.0361","","","0.0917","0.0955","","","","","","1.036","","","","has coordinates","204147","2020-10-21","18:00:00",""
"1547013","8.4697","0.0016","9.1799","0.0017","11.529","0.002","80.283","0.004","85.841","0.004","80.636","0.004","870.8","0.3","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C23 H17 N O2 S -","- C23 H17 N O2 S -","- C46 H34 N2 O4 S2 -","2","1","","Fan, Xing; Yu, Liu-Zhu; Wei, Yin; Shi, Min","Cascade Amination/Cyclization/Aromatization Process for the Rapid Construction of [2,3-c]Dihydrocarbazoles and [2,3-c]Carbazoles.","Organic letters","2017","19","17","4476","4479","10.1021/acs.orglett.7b01957","","","0.71073","MoKα","","0.0669","0.0526","","","0.1385","0.1505","","","","","","1.038","","","","has coordinates","200522","2020-10-21","18:00:00",""
"1547014","25.017","0.004","5.7228","0.001","26.74","0.005","90","","117.639","0.003","90","","3391.4","1","293","2","293","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C19 H19 N O4 S -","- C19 H19 N O4 S -","- C152 H152 N8 O32 S8 -","8","1","","Fan, Xing; Yu, Liu-Zhu; Wei, Yin; Shi, Min","Cascade Amination/Cyclization/Aromatization Process for the Rapid Construction of [2,3-c]Dihydrocarbazoles and [2,3-c]Carbazoles.","Organic letters","2017","19","17","4476","4479","10.1021/acs.orglett.7b01957","","","0.71073","MoKα","","0.0482","0.0411","","","0.1045","0.1097","","","","","","1.031","","","","has coordinates","200523","2020-10-21","18:00:00",""
"1547015","13.878","0.004","19.159","0.005","7.189","0.002","90","","104.662","0.009","90","","1849.2","0.9","93","2","93","2","","","","","","","","4","C 1 c 1","C -2yc","9","","","","- C22 H18 O4 S2 -","- C22 H18 O4 S2 -","- C88 H72 O16 S8 -","4","1","","Kawashima, Hitomi; Yanagi, Tomoyuki; Wu, Chien-Chi; Nogi, Keisuke; Yorimitsu, Hideki","Regioselective C-H Sulfanylation of Aryl Sulfoxides by Means of Pummerer-Type Activation.","Organic letters","2017","19","17","4552","4555","10.1021/acs.orglett.7b02147","","","1.54187","CuKα","","0.0289","0.0246","","","0.0584","0.0595","","","","","","1.004","","","","has coordinates","200524","2020-10-21","18:00:00",""
"1547016","10.5503","0.0013","25.29","0.003","8.0177","0.001","90","","93.112","0.002","90","","2136.1","0.5","296","","296","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C27 H23 N O3 -","- C27 H23 N O3 -","- C108 H92 N4 O12 -","4","1","","Qiu, Shaotong; Chen, Lianfen; Jiang, Huanfeng; Zhu, Shifa","CuCl/Et3N-Catalyzed Synthesis of Indanone-Fused 2-Methylene Pyrrolidines from Enynals and Propargylamines.","Organic letters","2017","19","17","4540","4543","10.1021/acs.orglett.7b02121","","","0.71073","MoKα","","0.1256","0.0558","","","0.1282","0.1587","","","","","","1.007","","","","has coordinates","200525","2020-10-21","18:00:00",""
"1547017","14.427","0.0004","6.42046","0.00013","17.0456","0.0005","90","","109.769","0.003","90","","1485.85","0.07","100","0.1","100","0.1","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C19 H19 N O2 -","- C19 H19 N O2 -","- C76 H76 N4 O8 -","4","1","","Qiu, Shaotong; Chen, Lianfen; Jiang, Huanfeng; Zhu, Shifa","CuCl/Et3N-Catalyzed Synthesis of Indanone-Fused 2-Methylene Pyrrolidines from Enynals and Propargylamines.","Organic letters","2017","19","17","4540","4543","10.1021/acs.orglett.7b02121","","x-ray","1.54184","CuKα","","0.0423","0.0394","","","0.1002","0.1027","","","","","","1.045","","","","has coordinates","204128","2020-10-21","18:00:00",""
"1547018","11.7424","0.0006","8.2014","0.0004","17.3455","0.0008","90","","105.694","0.005","90","","1608.17","0.14","100.01","0.1","100.01","0.1","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C20 H19 N O3 -","- C20 H19 N O3 -","- C80 H76 N4 O12 -","4","1","","Qiu, Shaotong; Chen, Lianfen; Jiang, Huanfeng; Zhu, Shifa","CuCl/Et3N-Catalyzed Synthesis of Indanone-Fused 2-Methylene Pyrrolidines from Enynals and Propargylamines.","Organic letters","2017","19","17","4540","4543","10.1021/acs.orglett.7b02121","","x-ray","1.54184","CuKα","","0.0741","0.07","","","0.1981","0.1997","","","","","","1.056","","","","has coordinates","204128","2020-10-21","18:00:00",""
"1547019","10.1183","0.0007","6.5997","0.0006","15.6889","0.0008","90","","96.969","0.006","90","","1039.93","0.13","294.44","0.1","294.44","0.1","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C20 H31 N O4 -","- C20 H31 N O4 -","- C40 H62 N2 O8 -","2","1","","Fan, Shiming; Liu, Shouxin; Zhu, Sufang; Feng, Juan; Zhang, Zhiwei; Huang, Jing","Temperature-Dependent Enantio- and Diastereodivergent Synthesis of Amino Acids with One or Multiple Chiral Centers.","Organic letters","2017","19","17","4660","4663","10.1021/acs.orglett.7b02296","","x-ray","0.71073","MoKα","","0.1011","0.062","","","0.141","0.1714","","","","","","1.031","","","","has coordinates","200528","2020-10-21","18:00:00",""
"1547020","7.3804","0.0017","9.68","0.002","16.898","0.004","87.64","0.02","86.23","0.02","89.091","0.019","1203.5","0.5","290.92","0.1","290.92","0.1","","","","","","","","5","P 1","P 1","1","","","","- C24 H29 Cl2 N O4 -","- C24 H29 Cl2 N O4 -","- C48 H58 Cl4 N2 O8 -","2","2","","Fan, Shiming; Liu, Shouxin; Zhu, Sufang; Feng, Juan; Zhang, Zhiwei; Huang, Jing","Temperature-Dependent Enantio- and Diastereodivergent Synthesis of Amino Acids with One or Multiple Chiral Centers.","Organic letters","2017","19","17","4660","4663","10.1021/acs.orglett.7b02296","","","0.71073","MoKα","","0.1574","0.0652","","","0.1866","0.2182","","","","","","0.912","","","","has coordinates","200529","2020-10-21","18:00:00",""
"1547021","7.0462","0.0003","14.9347","0.0009","16.4046","0.001","90","","90","","90","","1726.3","0.17","290.92","0.1","290.92","0.1","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C18 H27 N O4 -","- C18 H27 N O4 -","- C72 H108 N4 O16 -","4","1","","Fan, Shiming; Liu, Shouxin; Zhu, Sufang; Feng, Juan; Zhang, Zhiwei; Huang, Jing","Temperature-Dependent Enantio- and Diastereodivergent Synthesis of Amino Acids with One or Multiple Chiral Centers.","Organic letters","2017","19","17","4660","4663","10.1021/acs.orglett.7b02296","","","0.71073","MoKα","","0.0955","0.0629","","","0.1279","0.1519","","","","","","1.067","","","","has coordinates","200530","2020-10-21","18:00:00",""
"1547022","9.2948","0.0005","11.2533","0.0007","11.0889","0.0007","90","","95.716","0.006","90","","1154.1","0.12","290.92","0.1","290.92","0.1","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C24 H29 Cl2 N O4 -","- C24 H29 Cl2 N O4 -","- C48 H58 Cl4 N2 O8 -","2","1","","Fan, Shiming; Liu, Shouxin; Zhu, Sufang; Feng, Juan; Zhang, Zhiwei; Huang, Jing","Temperature-Dependent Enantio- and Diastereodivergent Synthesis of Amino Acids with One or Multiple Chiral Centers.","Organic letters","2017","19","17","4660","4663","10.1021/acs.orglett.7b02296","","","0.71073","MoKα","","0.0595","0.0436","","","0.0923","0.1056","","","","","","1.096","","","","has coordinates","200531","2020-10-21","18:00:00",""
"1547023","9.80751","0.00015","6.84454","0.00011","11.263","0.0002","90","","105.833","0.0018","90","","727.38","0.02","100","0.1","100","0.1","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C16 H23 N O2 -","- C16 H23 N O2 -","- C32 H46 N2 O4 -","2","1","","Fan, Shiming; Liu, Shouxin; Zhu, Sufang; Feng, Juan; Zhang, Zhiwei; Huang, Jing","Temperature-Dependent Enantio- and Diastereodivergent Synthesis of Amino Acids with One or Multiple Chiral Centers.","Organic letters","2017","19","17","4660","4663","10.1021/acs.orglett.7b02296","","x-ray","1.54184","CuKα","","0.0269","0.0267","","","0.0702","0.0704","","","","","","1.059","","","","has coordinates","200532","2020-10-21","18:00:00",""
"1547024","10.9576","0.0003","10.9859","0.0003","13.5339","0.0005","99.194","0.003","98.907","0.003","102.923","0.002","1536.48","0.09","99.99","0.1","99.99","0.1","","","","","","","","4","P 1","P 1","1","","","","- C16 H25 N O3 -","- C16 H25 N O3 -","- C64 H100 N4 O12 -","4","4","","Fan, Shiming; Liu, Shouxin; Zhu, Sufang; Feng, Juan; Zhang, Zhiwei; Huang, Jing","Temperature-Dependent Enantio- and Diastereodivergent Synthesis of Amino Acids with One or Multiple Chiral Centers.","Organic letters","2017","19","17","4660","4663","10.1021/acs.orglett.7b02296","","x-ray","1.54184","CuKα","","0.069","0.0683","","","0.1722","0.1736","","","","","","1.06","","","","has coordinates","200533","2020-10-21","18:00:00",""
"1547025","8.5856","0.0005","26.6604","0.0015","9.0241","0.0006","90","","98.396","0.002","90","","2043.4","0.2","296","2","296","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C23 H21 F N2 O2 S -","- C23 H21 F N2 O2 S -","- C92 H84 F4 N8 O8 S4 -","4","1","","Ding, Hualong; Bai, Songlin; Lu, Ping; Wang, Yanguang","Preparation of 2-Amino-3-arylindoles via Pd-Catalyzed Coupling between 3-Diazoindolin-2-imines and Arylboronic Acids as well as Their Extension to 3-Aryl-3-fluoroindolin-2-imines.","Organic letters","2017","19","17","4604","4607","10.1021/acs.orglett.7b02211","","","0.71073","MoKα","","0.1244","0.0659","","","0.1033","0.1314","","","","","","1.002","","","","has coordinates","200534","2020-10-21","18:00:00",""
"1547026","28.1291","0.0017","11.3338","0.0005","14.8299","0.0008","90","","91.255","0.005","90","","4726.8","0.4","293","2","293.15","","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C23 H22 N2 O2 S -","- C23 H22 N2 O2 S -","- C184 H176 N16 O16 S8 -","8","1","","Ding, Hualong; Bai, Songlin; Lu, Ping; Wang, Yanguang","Preparation of 2-Amino-3-arylindoles via Pd-Catalyzed Coupling between 3-Diazoindolin-2-imines and Arylboronic Acids as well as Their Extension to 3-Aryl-3-fluoroindolin-2-imines.","Organic letters","2017","19","17","4604","4607","10.1021/acs.orglett.7b02211","","","0.71073","MoKα","","0.0659","0.0464","","","0.1258","0.1369","","","","","","1.081","","","","has coordinates","200535","2020-10-21","18:00:00",""
"1547027","6.8692","0.0007","7.4511","0.0009","15.6394","0.0018","85.058","0.009","80.243","0.009","68.404","0.01","733.27","0.15","293","2","293.15","","","","","","","","","5","P -1","-P 1","2","","","","- C16 H14 N2 O3 S -","- C16 H14 N2 O3 S -","- C32 H28 N4 O6 S2 -","2","1","","Ding, Hualong; Bai, Songlin; Lu, Ping; Wang, Yanguang","Preparation of 2-Amino-3-arylindoles via Pd-Catalyzed Coupling between 3-Diazoindolin-2-imines and Arylboronic Acids as well as Their Extension to 3-Aryl-3-fluoroindolin-2-imines.","Organic letters","2017","19","17","4604","4607","10.1021/acs.orglett.7b02211","","","0.71073","MoKα","","0.1054","0.0688","","","0.1627","0.1969","","","","","","1.059","","","","has coordinates","200536","2020-10-21","18:00:00",""
"1547028","7.467","0.003","9.477","0.005","14.485","0.005","90","","97.593","0.008","90","","1016","0.8","293","","293","","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C22 H27 N O6 -","- C22 H27 N O6 -","- C44 H54 N2 O12 -","2","1","","Liu, Xin; Hu, Ya-Jian; Chen, Bo; Min, Long; Peng, Xiao-Shui; Zhao, Jing; Li, Shaoping; Wong, Henry N. C.; Li, Chuang-Chuang","Asymmetric Total Syntheses of Colchicine, β-Lumicolchicine, and Allocolchicinoid N-Acetylcolchinol-O-methyl Ether (NCME).","Organic letters","2017","19","17","4612","4615","10.1021/acs.orglett.7b02224","","","1.54178","CuKα","","0.0931","0.0709","","","0.1877","0.2555","","","","","","1.158","","","","has coordinates","200537","2020-10-21","18:00:00",""
"1547029","10.3221","0.0013","12.3513","0.001","12.897","0.0019","69.442","0.011","80.911","0.012","66.205","0.01","1408.4","0.3","292","0.3","292","0.3","","","","","","","","5","P -1","-P 1","2","","","","- C32 H38 N2 O2 S -","- C32 H38 N2 O2 S -","- C64 H76 N4 O4 S2 -","2","1","","Li, Lixin; Zhou, Xibing; Yu, Bangkui; Huang, Hanmin","Palladium-Catalyzed Dehydrogenative Difunctionalization of Aminoalkenes with Aminals as Oxidants and Electrophiles.","Organic letters","2017","19","17","4600","4603","10.1021/acs.orglett.7b02203","","","0.71073","MoKα","","0.1056","0.061","","","0.1194","0.1511","","","","","","1.051","","","","has coordinates","200538","2020-10-21","18:00:00",""
"1547030","14.3783","0.0011","16.669","0.0009","14.5602","0.0008","90","","109.563","0.008","90","","3288.2","0.4","287.76","0.1","287.76","0.1","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C39 H38 N2 O2 S -","- C39 H38 N2 O2 S -","- C156 H152 N8 O8 S4 -","4","1","","Li, Lixin; Zhou, Xibing; Yu, Bangkui; Huang, Hanmin","Palladium-Catalyzed Dehydrogenative Difunctionalization of Aminoalkenes with Aminals as Oxidants and Electrophiles.","Organic letters","2017","19","17","4600","4603","10.1021/acs.orglett.7b02203","","","0.71073","MoKα","","0.1018","0.0596","","","0.1433","0.1841","","","","","","0.942","","","","has coordinates","200539","2020-10-21","18:00:00",""
"1547031","9.4795","0.001","11.0883","0.0012","13.0819","0.0014","91.695","0.002","97.717","0.002","104.408","0.002","1316.9","0.2","296","2","296","2","","","","","","","","5","P -1","-P 1","2","","","","- C31 H30 N2 O2 S -","- C31 H30 N2 O2 S -","- C62 H60 N4 O4 S2 -","2","1","","Li, Lixin; Zhou, Xibing; Yu, Bangkui; Huang, Hanmin","Palladium-Catalyzed Dehydrogenative Difunctionalization of Aminoalkenes with Aminals as Oxidants and Electrophiles.","Organic letters","2017","19","17","4600","4603","10.1021/acs.orglett.7b02203","","","0.71073","MoKα","","0.0709","0.0595","","","0.1419","0.1506","","","","","","1.006","","","","has coordinates","200540","2020-10-21","18:00:00",""
"1547032","5.6185","0.0006","22.7525","0.0018","10.3579","0.0007","90","","99.399","0.008","90","","1306.3","0.2","293","2","293.15","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C14 H14 N2 O3 -","- C14 H14 N2 O3 -","- C56 H56 N8 O12 -","4","1","","Lv, Ningning; Liu, Yue; Xiong, Chunhua; Liu, Zhanxiang; Zhang, Yuhong","Cobalt-Catalyzed Oxidant-Free Spirocycle Synthesis by Liberation of Hydrogen.","Organic letters","2017","19","17","4640","4643","10.1021/acs.orglett.7b02266","","","0.71073","MoKα","","0.1127","0.071","","","0.1713","0.2065","","","","","","1.031","","","","has coordinates","200541","2020-10-21","18:00:00",""
"1547033","14.4398","0.0005","8.7058","0.0003","23.2532","0.0007","90","","90","","90","","2923.16","0.17","293","2","293","2","","","","","","","","3","P b c a","-P 2ac 2ab","61","","","","- C16 H21 O4 -","- C16 H21 O4 -","- C128 H168 O32 -","8","1","","Shao, Hui; Bao, Wen; Jing, Ze-Ran; Wang, Yun-Peng; Zhang, Fu-Min; Wang, Shao-Hua; Tu, Yong-Qiang","Construction of the [6,5,7,5] Tetracyclic Core of Calyciphylline A Type Alkaloids via a Tandem Semipinacol Rearrangement/Nicholas Reaction.","Organic letters","2017","19","17","4648","4651","10.1021/acs.orglett.7b02274","","","1.54178","CuKα","","0.0413","0.0391","","","0.1191","0.1223","","","","","","0.984","","","","has coordinates","200542","2020-10-21","18:00:00",""
"1547034","8.4594","0.0019","9.84","0.002","17.995","0.003","90","","94.074","0.019","90","","1494.1","0.5","271","13","271","13","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C16 H22 O4 -","- C16 H22 O4 -","- C64 H88 O16 -","4","1","","Shao, Hui; Bao, Wen; Jing, Ze-Ran; Wang, Yun-Peng; Zhang, Fu-Min; Wang, Shao-Hua; Tu, Yong-Qiang","Construction of the [6,5,7,5] Tetracyclic Core of Calyciphylline A Type Alkaloids via a Tandem Semipinacol Rearrangement/Nicholas Reaction.","Organic letters","2017","19","17","4648","4651","10.1021/acs.orglett.7b02274","","","0.71073","MoKα","","0.199","0.0744","","","0.1026","0.1475","","","","","","0.978","","","","has coordinates","200543","2020-10-21","18:00:00",""
"1547035","10.7343","0.0009","13.3055","0.0008","11.7856","0.0011","90","","114.177","0.01","90","","1535.6","0.2","292.53","0.1","292.53","0.1","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","","","- C16 H22 O4 -","- C16 H22 O4 -","- C64 H88 O16 -","4","1","","Shao, Hui; Bao, Wen; Jing, Ze-Ran; Wang, Yun-Peng; Zhang, Fu-Min; Wang, Shao-Hua; Tu, Yong-Qiang","Construction of the [6,5,7,5] Tetracyclic Core of Calyciphylline A Type Alkaloids via a Tandem Semipinacol Rearrangement/Nicholas Reaction.","Organic letters","2017","19","17","4648","4651","10.1021/acs.orglett.7b02274","","","0.71073","MoKα","","0.1323","0.0616","","","0.1209","0.1612","","","","","","1.003","","","","has coordinates,has disorder","200544","2020-10-21","18:00:00",""
"1547036","12.6657","0.0005","13.8437","0.0007","19.3886","0.0009","101.972","0.004","99.482","0.004","91.091","0.004","3275.2","0.3","292.7","0.6","292.7","0.6","","","","","","","","6","P -1","-P 1","2","","","","- C30 H49 N O6 S Si -","- C30 H49 N O6 S Si -","- C120 H196 N4 O24 S4 Si4 -","4","2","","Shao, Hui; Bao, Wen; Jing, Ze-Ran; Wang, Yun-Peng; Zhang, Fu-Min; Wang, Shao-Hua; Tu, Yong-Qiang","Construction of the [6,5,7,5] Tetracyclic Core of Calyciphylline A Type Alkaloids via a Tandem Semipinacol Rearrangement/Nicholas Reaction.","Organic letters","2017","19","17","4648","4651","10.1021/acs.orglett.7b02274","","","0.71073","MoKα","","0.1942","0.0889","","","0.2195","0.3035","","","","","","1.035","","","","has coordinates","200545","2020-10-21","18:00:00",""
"1547037","8.1649","0.0012","10.7552","0.0016","14.048","0.002","88.09","0.002","84.286","0.002","69.323","0.002","1148.4","0.3","297","2","297","2","","","","","","","","4","P -1","-P 1","2","","","","- C28 H22 N4 O3 -","- C28 H22 N4 O3 -","- C56 H44 N8 O6 -","2","1","","Wu, Xia; Geng, Xiao; Zhao, Peng; Wu, Yan-Dong; Wu, An-Xin","Iodine-Catalyzed Oxidative Coupling To Construct C-O Bonds for the Synthesis of 2,3-Dihydrooxepines.","Organic letters","2017","19","17","4584","4587","10.1021/acs.orglett.7b02182","","","0.71073","MoKα","","0.0523","0.0426","","","0.1297","0.144","","","","","","1.064","","","","has coordinates","200546","2020-10-21","18:00:00",""
"1547038","7.4273","0.0012","13.435","0.002","21.998","0.004","90","","90.029","0.003","90","","2195.1","0.6","273","2","273","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C28 H20 N4 O3 -","- C28 H20 N4 O3 -","- C112 H80 N16 O12 -","4","1","","Wu, Xia; Geng, Xiao; Zhao, Peng; Wu, Yan-Dong; Wu, An-Xin","Iodine-Catalyzed Oxidative Coupling To Construct C-O Bonds for the Synthesis of 2,3-Dihydrooxepines.","Organic letters","2017","19","17","4584","4587","10.1021/acs.orglett.7b02182","","","0.71073","MoKα","","0.0597","0.0408","","","0.1114","0.1314","","","","","","1.087","","","","has coordinates","200547","2020-10-21","18:00:00",""
"1547039","22.9505","0.0014","10.6788","0.0008","37.929","0.003","90","","95.625","0.017","90","","9251","1.2","103","2","103","2","","","","","","","","3","C 1 2/c 1","-C 2yc","15","pillar[5]arene","C-allyl-monohydroxy-nonamethoxy-pillar[5]arene","","- C51.5 H61 O11.5 -","- C51.5 H61 O11.5 -","- C412 H488 O92 -","8","1","","Bojtár, Márton; Simon, András; Bombicz, Petra; Bitter, István","Expanding the Pillararene Chemistry: Synthesis and Application of a 10 + 1 Functionalized Pillar[5]arene.","Organic letters","2017","19","17","4528","4531","10.1021/acs.orglett.7b02092","","","0.71073","MoKα","","0.1722","0.086","","","0.2036","0.257","","","","","","1.044","","","","has coordinates","200548","2020-10-21","18:00:00",""
"1547040","12.121","0.007","20.805","0.012","19.049","0.011","90","","93.774","0.008","90","","4793","5","296","2","296","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","Ge-Sumanene","Ge-Sumanene","","- C24 H24 Ge3 -","- C24 H24 Ge3 -","- C192 H192 Ge24 -","8","2","","Zhou, Dandan; Gao, Ya; Liu, Bingxin; Tan, Qitao; Xu, Bin","Synthesis of Silicon and Germanium-Containing Heterosumanenes via Rhodium-Catalyzed Cyclodehydrogenation of Silicon/Germanium-Hydrogen and Carbon-Hydrogen Bonds.","Organic letters","2017","19","17","4628","4631","10.1021/acs.orglett.7b02254","","","0.71073","MoKα","","0.1099","0.0494","","","0.1091","0.1355","","","","","","0.939","","","","has coordinates","200549","2020-10-21","18:00:00",""
"1547041","7.2277","0.0003","7.3744","0.0003","21.3606","0.0008","90","","90","","90","","1138.52","0.08","100","","100","","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C12 H14 Cl N O2 -","- C12 H14 Cl N O2 -","- C48 H56 Cl4 N4 O8 -","4","1","","Morris, Patrick J.; Moaddel, Ruin; Zanos, Panos; Moore, Curtis E.; Gould, Todd; Zarate, Jr, Carlos A; Thomas, Craig J.","Synthesis and N-Methyl-d-aspartate (NMDA) Receptor Activity of Ketamine Metabolites.","Organic letters","2017","19","17","4572","4575","10.1021/acs.orglett.7b02177","","x-ray","0.71073","MoKα","","0.0312","0.0297","","","0.0751","0.0761","","","","","","1.05","","","","has coordinates","200550","2020-10-21","18:00:00",""
"1547042","7.2604","0.0002","8.2772","0.0002","18.9206","0.0004","90","","90","","90","","1137.05","0.05","100","","100","","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C12 H14 Cl N O2 -","- C12 H14 Cl N O2 -","- C48 H56 Cl4 N4 O8 -","4","1","","Morris, Patrick J.; Moaddel, Ruin; Zanos, Panos; Moore, Curtis E.; Gould, Todd; Zarate, Jr, Carlos A; Thomas, Craig J.","Synthesis and N-Methyl-d-aspartate (NMDA) Receptor Activity of Ketamine Metabolites.","Organic letters","2017","19","17","4572","4575","10.1021/acs.orglett.7b02177","","x-ray","0.71073","MoKα","","0.0249","0.0234","","","0.057","0.0577","","","","","","1.057","","","","has coordinates","200551","2020-10-21","18:00:00",""
"1547043","7.3612","0.0009","7.4951","0.0009","11.3569","0.0013","90","","96.832","0.003","90","","622.14","0.13","100","","100","","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C12 H15 Cl2 N O2 -","- C12 H15 Cl2 N O2 -","- C24 H30 Cl4 N2 O4 -","2","1","","Morris, Patrick J.; Moaddel, Ruin; Zanos, Panos; Moore, Curtis E.; Gould, Todd; Zarate, Jr, Carlos A; Thomas, Craig J.","Synthesis and N-Methyl-d-aspartate (NMDA) Receptor Activity of Ketamine Metabolites.","Organic letters","2017","19","17","4572","4575","10.1021/acs.orglett.7b02177","","x-ray","0.71073","MoKα","","0.0209","0.02","","","0.0509","0.0515","","","","","","1.046","","","","has coordinates","200552","2020-10-21","18:00:00",""
"1547044","8.1094","0.0002","8.6923","0.0002","33.1247","0.0007","90","","90","","90","","2334.94","0.09","100","","100","","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C12 H14 Cl N O2 -","- C12 H14 Cl N O2 -","- C96 H112 Cl8 N8 O16 -","8","2","","Morris, Patrick J.; Moaddel, Ruin; Zanos, Panos; Moore, Curtis E.; Gould, Todd; Zarate, Jr, Carlos A; Thomas, Craig J.","Synthesis and N-Methyl-d-aspartate (NMDA) Receptor Activity of Ketamine Metabolites.","Organic letters","2017","19","17","4572","4575","10.1021/acs.orglett.7b02177","","x-ray","1.54178","CuKα","K-L~3~","0.0501","0.0408","","","0.0944","0.0988","","","","","","1.015","","","","has coordinates","200553","2020-10-21","18:00:00",""
"1547045","7.3777","0.0005","7.4315","0.0005","20.1273","0.0014","90","","90","","90","","1103.53","0.13","100","","100","","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C12 H14 Cl N O2 -","- C12 H14 Cl N O2 -","- C48 H56 Cl4 N4 O8 -","4","1","","Morris, Patrick J.; Moaddel, Ruin; Zanos, Panos; Moore, Curtis E.; Gould, Todd; Zarate, Jr, Carlos A; Thomas, Craig J.","Synthesis and N-Methyl-d-aspartate (NMDA) Receptor Activity of Ketamine Metabolites.","Organic letters","2017","19","17","4572","4575","10.1021/acs.orglett.7b02177","","x-ray","0.71073","MoKα","K-L~3~","0.0401","0.0345","","","0.0733","0.0753","","","","","","1.095","","","","has coordinates","200554","2020-10-21","18:00:00",""
"1547046","7.4047","0.0004","8.7079","0.0005","11.7729","0.0006","90","","107.542","0.002","90","","723.81","0.07","100","","100","","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C12 H17 Cl2 N O3 -","- C12 H17 Cl2 N O3 -","- C24 H34 Cl4 N2 O6 -","2","1","","Morris, Patrick J.; Moaddel, Ruin; Zanos, Panos; Moore, Curtis E.; Gould, Todd; Zarate, Jr, Carlos A; Thomas, Craig J.","Synthesis and N-Methyl-d-aspartate (NMDA) Receptor Activity of Ketamine Metabolites.","Organic letters","2017","19","17","4572","4575","10.1021/acs.orglett.7b02177","","x-ray","0.71073","MoKα","K-L~3~","0.0264","0.026","","","0.0652","0.0655","","","","","","1.063","","","","has coordinates","200555","2020-10-21","18:00:00",""
"1547047","8.1621","0.0002","8.6928","0.0003","33.1313","0.001","90","","90","","90","","2350.72","0.12","100","","100","","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C12 H14 Cl N O2 -","- C12 H14 Cl N O2 -","- C96 H112 Cl8 N8 O16 -","8","2","","Morris, Patrick J.; Moaddel, Ruin; Zanos, Panos; Moore, Curtis E.; Gould, Todd; Zarate, Jr, Carlos A; Thomas, Craig J.","Synthesis and N-Methyl-d-aspartate (NMDA) Receptor Activity of Ketamine Metabolites.","Organic letters","2017","19","17","4572","4575","10.1021/acs.orglett.7b02177","","x-ray","0.71073","MoKα","K-L~3~","0.0324","0.0284","","","0.0625","0.0645","","","","","","1.019","","","","has coordinates","200556","2020-10-21","18:00:00",""
"1547048","7.4095","0.0007","7.4183","0.0007","20.1227","0.0018","90","","90","","90","","1106.06","0.18","100","","100","","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C12 H14 Cl N O2 -","- C12 H14 Cl N O2 -","- C48 H56 Cl4 N4 O8 -","4","1","","Morris, Patrick J.; Moaddel, Ruin; Zanos, Panos; Moore, Curtis E.; Gould, Todd; Zarate, Jr, Carlos A; Thomas, Craig J.","Synthesis and N-Methyl-d-aspartate (NMDA) Receptor Activity of Ketamine Metabolites.","Organic letters","2017","19","17","4572","4575","10.1021/acs.orglett.7b02177","","x-ray","0.71073","MoKα","K-L~3~","0.036","0.0301","","","0.0629","0.0656","","","","","","1.06","","","","has coordinates","200557","2020-10-21","18:00:00",""
"1547049","7.2205","0.0006","7.3718","0.0005","21.3401","0.0015","90","","90","","90","","1135.89","0.15","100","","100","","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C12 H14 Cl N O2 -","- C12 H14 Cl N O2 -","- C48 H56 Cl4 N4 O8 -","4","1","","Morris, Patrick J.; Moaddel, Ruin; Zanos, Panos; Moore, Curtis E.; Gould, Todd; Zarate, Jr, Carlos A; Thomas, Craig J.","Synthesis and N-Methyl-d-aspartate (NMDA) Receptor Activity of Ketamine Metabolites.","Organic letters","2017","19","17","4572","4575","10.1021/acs.orglett.7b02177","","x-ray","0.71073","MoKα","K-L~3~","0.0296","0.0265","","","0.0604","0.062","","","","","","1.066","","","","has coordinates","200558","2020-10-21","18:00:00",""
"1547050","7.3539","0.0008","7.4949","0.0007","11.3571","0.0013","90","","96.835","0.003","90","","621.52","0.11","100","","100","","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C12 H15 Cl2 N O2 -","- C12 H15 Cl2 N O2 -","- C24 H30 Cl4 N2 O4 -","2","1","","Morris, Patrick J.; Moaddel, Ruin; Zanos, Panos; Moore, Curtis E.; Gould, Todd; Zarate, Jr, Carlos A; Thomas, Craig J.","Synthesis and N-Methyl-d-aspartate (NMDA) Receptor Activity of Ketamine Metabolites.","Organic letters","2017","19","17","4572","4575","10.1021/acs.orglett.7b02177","","x-ray","0.71073","MoKα","","0.0223","0.0213","","","0.0525","0.0532","","","","","","1.036","","","","has coordinates","200559","2020-10-21","18:00:00",""
"1547051","9.5408","0.0001","16.3122","0.0001","18.8674","0.0002","90","","90","","90","","2936.36","0.05","289","2","289","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C33 H42 O8 -","- C33 H42 O8 -","- C132 H168 O32 -","4","1","","An, Fa-Liang; Sun, Dong-Mei; Li, Rui-Jun; Zhou, Miao-Miao; Yang, Ming-Hua; Yin, Yong; Kong, Ling-Yi; Luo, Jun","Walrobsins A and B, Two Anti-inflammatory Limonoids from Root Barks of Walsura robusta.","Organic letters","2017","19","17","4568","4571","10.1021/acs.orglett.7b02173","","","1.54184","CuKα","","0.0452","0.0441","","","0.1301","0.1339","","","","","","1.051","","","","has coordinates","200560","2020-10-21","18:00:00",""
"1547052","9.434","0.0001","16.4028","0.0001","19.4128","0.0001","90","","90","","90","","3004.01","0.04","291","2","291","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C33 H44 O8 -","- C33 H44 O8 -","- C132 H176 O32 -","4","1","","An, Fa-Liang; Sun, Dong-Mei; Li, Rui-Jun; Zhou, Miao-Miao; Yang, Ming-Hua; Yin, Yong; Kong, Ling-Yi; Luo, Jun","Walrobsins A and B, Two Anti-inflammatory Limonoids from Root Barks of Walsura robusta.","Organic letters","2017","19","17","4568","4571","10.1021/acs.orglett.7b02173","","","1.54184","CuKα","","0.0373","0.0369","","","0.1004","0.1009","","","","","","1.045","","","","has coordinates,has disorder","200561","2020-10-21","18:00:00",""
"1547053","25.2209","0.0013","7.4847","0.0004","17.0575","0.0009","90","","119.615","0.001","90","","2799.3","0.3","304","2","304","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C13 H18 N2 O5 -","- C13 H18 N2 O5 -","- C104 H144 N16 O40 -","8","1","","Li, Zhengning; Lam, Shuk Mei; Ip, Ignatius; Wong, Wing-Tak; Chiu, Pauline","Rearrangements of α-Diazo-β-hydroxyketones for the Synthesis of Bicyclo[m.n.1]alkanones.","Organic letters","2017","19","17","4464","4467","10.1021/acs.orglett.7b01963","","","0.71073","MoKα","","0.0373","0.0336","","","0.0913","0.0952","","","","","","1.027","","","","has coordinates","200562","2020-10-21","18:00:00",""
"1547054","24.608","0.007","7.147","0.002","12.285","0.004","90","","90","","90","","2160.6","1.1","296","2","296","2","","","","","","","","4","P c a 21","P 2c -2ac","29","","","","- C11 H16 N2 O2 -","- C11 H16 N2 O2 -","- C88 H128 N16 O16 -","8","2","","Li, Zhengning; Lam, Shuk Mei; Ip, Ignatius; Wong, Wing-Tak; Chiu, Pauline","Rearrangements of α-Diazo-β-hydroxyketones for the Synthesis of Bicyclo[m.n.1]alkanones.","Organic letters","2017","19","17","4464","4467","10.1021/acs.orglett.7b01963","","","0.71073","MoKα","","0.1098","0.0668","","","0.1537","0.1753","","","","","","1.016","","","","has coordinates","200563","2020-10-21","18:00:00",""
"1547055","7.536","0.0007","8.9321","0.0009","10.4173","0.001","103.152","0.001","95.411","0.001","90.804","0.001","679.32","0.11","305","2","305","2","","","","","","","","4","P -1","-P 1","2","","","","- C13 H18 N2 O4 -","- C13 H18 N2 O4 -","- C26 H36 N4 O8 -","2","1","","Li, Zhengning; Lam, Shuk Mei; Ip, Ignatius; Wong, Wing-Tak; Chiu, Pauline","Rearrangements of α-Diazo-β-hydroxyketones for the Synthesis of Bicyclo[m.n.1]alkanones.","Organic letters","2017","19","17","4464","4467","10.1021/acs.orglett.7b01963","","","0.71073","MoKα","","0.0441","0.0416","","","0.1146","0.1173","","","","","","1.048","","","","has coordinates","200564","2020-10-21","18:00:00",""
"1547056","6.2449","0.0004","16.6852","0.0011","13.0222","0.0009","90","","92.659","0.001","90","","1355.42","0.16","295","2","295","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","(1R*,5R*,6R*)-ethyl-5-methoxy-7,9-dioxobicyclo[4.2.1]nonane-1-carboxylate","","- C13 H18 O5 -","- C13 H18 O5 -","- C52 H72 O20 -","4","1","","Li, Zhengning; Lam, Shuk Mei; Ip, Ignatius; Wong, Wing-Tak; Chiu, Pauline","Rearrangements of α-Diazo-β-hydroxyketones for the Synthesis of Bicyclo[m.n.1]alkanones.","Organic letters","2017","19","17","4464","4467","10.1021/acs.orglett.7b01963","","","0.71073","MoKα","","0.0449","0.0382","","","0.1016","0.1069","","","","","","1.038","","","","has coordinates,has disorder","200565","2020-10-21","18:00:00",""
"1547057","6.133","0.0019","10.094","0.003","20.181","0.006","90","","90","","90","","1249.3","0.7","203","2","203","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C13 H17 N O2 S -","- C13 H17 N O2 S -","- C52 H68 N4 O8 S4 -","4","1","","Li, Yuewen; Mao, Runyu; Wu, Jie","N-Radical Initiated Aminosulfonylation of Unactivated C(sp(3))-H Bond through Insertion of Sulfur Dioxide.","Organic letters","2017","19","17","4472","4475","10.1021/acs.orglett.7b02010","","","0.71073","MoKα","","0.0453","0.0374","","","0.1071","0.1153","","","","","","1.115","","","","has coordinates","200566","2020-10-21","18:00:00",""
"1547058","12.3024","0.0012","11.6242","0.0012","18.662","0.002","90","","101.576","0.002","90","","2614.5","0.5","293","2","293","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C24 H18 Cl4 N2 O4 S -","- C24 H18 Cl4 N2 O4 S -","- C96 H72 Cl16 N8 O16 S4 -","4","1","","Meng, Jiang; Jia, Renmeng; Leng, Jiaying; Wen, Min; Yu, Xingxin; Deng, Wei-Ping","Carbon-Carbon Bond Formation by Reaction of Rhodium Azavinylcarbenes with Secondary Amides: Access to Indigo Analogues from Isatins.","Organic letters","2017","19","17","4520","4523","10.1021/acs.orglett.7b02096","","","0.71073","MoKα","","0.081","0.0572","","","0.1468","0.1636","","","","","","1.043","","","","has coordinates,has disorder","200567","2020-10-21","18:00:00",""
"1547059","6.5833","0.0014","9.956","0.002","24.64","0.005","90","","95.324","0.004","90","","1608","0.6","296","2","296","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C18 H15 Br O5 -","- C18 H15 Br O5 -","- C72 H60 Br4 O20 -","4","2","","Shi, Li-Min; Dong, Wu-Wei; Tao, Hai-Yan; Dong, Xiu-Qin; Wang, Chun-Jiang","Catalytic Asymmetric Desymmetrization of Cyclopentendiones via Diels-Alder Reaction of 3-Hydroxy-2-pyrones: Construction of Multifunctional Bridged Tricyclic Lactones.","Organic letters","2017","19","17","4532","4535","10.1021/acs.orglett.7b02107","","","0.71073","MoKα","","0.0552","0.0416","","","0.0879","0.0923","","","","","","0.985","","","","has coordinates","200568","2020-10-21","18:00:00",""
"1547060","5.2059","0.0009","10.5536","0.0018","16.861","0.003","99.88","0.002","95.519","0.002","92.866","0.002","906.3","0.3","301","2","301","2","","","","","","","","4","P -1","-P 1","2","","","","- C18 H23 Br O5 -","- C18 H23 Br O5 -","- C36 H46 Br2 O10 -","2","1","","Lam, Shuk Mei; Wong, Wing-Tak; Chiu, Pauline","An Approach to the Welwistatin Core via a Diazoketone Rearrangement-Ring Expansion Strategy.","Organic letters","2017","19","17","4468","4471","10.1021/acs.orglett.7b01988","","","0.71073","MoKα","","0.047","0.0388","","","0.0996","0.1037","","","","","","1.029","","","","has coordinates,has disorder","200569","2020-10-21","18:00:00",""
"1547061","12.2416","0.0009","15.1877","0.0011","7.6373","0.0006","90","","94.46","0.001","90","","1415.64","0.18","303","2","303","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C16 H16 O4 -","- C16 H16 O4 -","- C64 H64 O16 -","4","1","","Lam, Shuk Mei; Wong, Wing-Tak; Chiu, Pauline","An Approach to the Welwistatin Core via a Diazoketone Rearrangement-Ring Expansion Strategy.","Organic letters","2017","19","17","4468","4471","10.1021/acs.orglett.7b01988","","","0.71073","MoKα","","0.0446","0.0364","","","0.0938","0.0998","","","","","","1.045","","","","has coordinates","200570","2020-10-21","18:00:00",""
"1547062","15.6419","0.0012","23.9707","0.0018","7.8208","0.0006","90","","90","","90","","2932.4","0.4","301","2","301","2","","","","","","","","4","P c c n","-P 2ab 2ac","56","","","","- C16 H15 Br O4 -","- C16 H15 Br O4 -","- C128 H120 Br8 O32 -","8","1","","Lam, Shuk Mei; Wong, Wing-Tak; Chiu, Pauline","An Approach to the Welwistatin Core via a Diazoketone Rearrangement-Ring Expansion Strategy.","Organic letters","2017","19","17","4468","4471","10.1021/acs.orglett.7b01988","","","0.71073","MoKα","","0.0379","0.0304","","","0.0772","0.081","","","","","","1.043","","","","has coordinates,has disorder","200572","2020-10-21","18:00:00",""
"1547063","9.9278","0.0008","13.8213","0.0012","19.0453","0.0015","90","","90","","90","","2613.3","0.4","296","2","296","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C32 H25 N3 O4 -","- C32 H25 N3 O4 -","- C128 H100 N12 O16 -","4","1","","Mondal, Santigopal; Mukherjee, Subrata; Yetra, Santhivardhana Reddy; Gonnade, Rajesh G.; Biju, Akkattu T.","Organocatalytic Enantioselective Vinylogous Michael-Aldol Cascade for the Synthesis of Spirocyclic Compounds.","Organic letters","2017","19","16","4367","4370","10.1021/acs.orglett.7b02085","","","1.54178","CuKα","","0.0339","0.0327","","","0.0834","0.0846","","","","","","1.017","","","","has coordinates","200573","2020-10-21","18:00:00",""
"1547064","24.334","0.005","13.557","0.003","27.189","0.005","90","","90.828","0.003","90","","8969","3","123","","123","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C102.5 H75.5 Cl12.75 N6 -","- C102.5 H75.5 Cl12.75 N6 -","- C410 H302 Cl51 N24 -","4","1","","Kurata, Ryohei; Sakamaki, Daisuke; Uebe, Masashi; Kinoshita, Mariko; Iwanaga, Tetsuo; Matsumoto, Takashi; Ito, Akihiro","Isolable Triradical Trication of Hexaaza[16]paracyclophane with Embedded 9,10-Anthrylenes: A Frustrated Three-Spin System.","Organic letters","2017","19","16","4371","4374","10.1021/acs.orglett.7b02088","","","0.71075","MoKα","","0.2403","0.1257","","","0.2926","0.3692","","","","","","1.035","","","","has coordinates,has disorder","200575","2020-10-21","18:00:00",""
"1547065","12.217","0.004","20.357","0.005","22.761","0.006","74.897","0.011","85.716","0.014","85.813","0.013","5441","3","123","","123","","","","","","","","","4","P -1","-P 1","2","","","","- C132 H138 N6 O6 -","- C132 H138 N6 O6 -","- C264 H276 N12 O12 -","2","1","","Kurata, Ryohei; Sakamaki, Daisuke; Uebe, Masashi; Kinoshita, Mariko; Iwanaga, Tetsuo; Matsumoto, Takashi; Ito, Akihiro","Isolable Triradical Trication of Hexaaza[16]paracyclophane with Embedded 9,10-Anthrylenes: A Frustrated Three-Spin System.","Organic letters","2017","19","16","4371","4374","10.1021/acs.orglett.7b02088","","","0.71075","MoKα","","0.1942","0.1084","","","0.2325","0.2925","","","","","","1.044","","","","has coordinates,has disorder","200577","2020-10-21","18:00:00",""
"1547066","16.3119","","24.2584","","46.9151","","90","","93.504","","90","","18529.6","","93","","93","","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C213.35 H122.46 B3 Cl0.88 F60 N6 O7 -","- C213.348 H123.348 B3 Cl0.884 F60 N6 O7 -","- C853.392 H493.392 B12 Cl3.536 F240 N24 O28 -","4","1","","Kurata, Ryohei; Sakamaki, Daisuke; Uebe, Masashi; Kinoshita, Mariko; Iwanaga, Tetsuo; Matsumoto, Takashi; Ito, Akihiro","Isolable Triradical Trication of Hexaaza[16]paracyclophane with Embedded 9,10-Anthrylenes: A Frustrated Three-Spin System.","Organic letters","2017","19","16","4371","4374","10.1021/acs.orglett.7b02088","","","1.54187","CuKα","","0.1252","0.1125","","","0.3116","0.3219","","","","","","1.073","","","","has coordinates,has disorder","200578","2020-10-21","18:00:00",""
"1547067","30.1441","0.0007","16.1678","0.0004","21.0618","0.0005","90","","121.245","0.0009","90","","8775.9","0.4","100","2","100","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C38 H40 F6 N2 O6 Pd2 -","- C38 H40 F6 N2 O6 Pd2 -","- C304 H320 F48 N16 O48 Pd16 -","8","1","","Maraswami, Manikantha; Pankajakshan, Sreekumar; Chen, Gang; Loh, Teck-Peng","Palladium-Catalyzed Direct C-H Trifluoroethylation of Aromatic Amides.","Organic letters","2017","19","16","4223","4226","10.1021/acs.orglett.7b01859","","","0.71073","MoKα","","0.0772","0.0405","","","0.0847","0.1059","","","","","","1.038","","","","has coordinates,has disorder","200580","2020-10-21","18:00:00",""
"1547068","9.04","0.004","6.791","0.003","19.479","0.008","90","","95.016","0.006","90","","1191.2","0.9","130","2","130","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C26 H25 N O9 -","- C26 H25 N O9 -","- C52 H50 N2 O18 -","2","1","","Gheewala, Chirag D.; Radtke, M. Alex; Hui, Jessica; Hon, Alec B.; Lambert, Tristan H.","Methods for the Synthesis of Functionalized Pentacarboxycyclopentadienes.","Organic letters","2017","19","16","4227","4230","10.1021/acs.orglett.7b01867","","","0.71073","MoKα","","0.0549","0.0455","","","0.1146","0.1209","","","","","","1.056","","","","has coordinates,has disorder","200582","2020-10-21","18:00:00",""
"1547069","6.3428","0.0017","21.435","0.006","25.73","0.007","90","","90","","90","","3498.2","1.7","130","2","130","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C38 H35 Cl3 N2 O8 -","- C38 H35 Cl3 N2 O8 -","- C152 H140 Cl12 N8 O32 -","4","1","","Gheewala, Chirag D.; Radtke, M. Alex; Hui, Jessica; Hon, Alec B.; Lambert, Tristan H.","Methods for the Synthesis of Functionalized Pentacarboxycyclopentadienes.","Organic letters","2017","19","16","4227","4230","10.1021/acs.orglett.7b01867","","","0.71073","MoKα","","0.1265","0.0534","","","0.0884","0.111","","","","","","1.001","","","","has coordinates","200583","2020-10-21","18:00:00",""
"1547070","8.6027","0.0008","14.6659","0.0009","14.8286","0.0009","82.014","0.005","77.654","0.006","76.926","0.006","1772.1","0.2","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C21 H14 N2 O3 S -","- C21 H14 N2 O3 S -","- C84 H56 N8 O12 S4 -","4","2","","Lan, Jianyong; Xie, Haisheng; Lu, Xiaoxia; Deng, Yuanfu; Jiang, Huanfeng; Zeng, Wei","Co(II)-Catalyzed Regioselective Cross-Dehydrogenative Coupling of Aryl C-H Bonds with Carboxylic Acids.","Organic letters","2017","19","16","4279","4282","10.1021/acs.orglett.7b01942","","","1.54184","CuKα","","0.0939","0.0856","","","0.2585","0.2724","","","","","","1.055","","","","has coordinates","214153","2020-10-21","18:00:00",""
"1547071","12.7416","0.0004","15.7164","0.0003","16.1249","0.0005","90","","90.844","0.003","90","","3228.69","0.16","293","2","298","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C18 H19 I N2 -","- C18 H19 I N2 -","- C144 H152 I8 N16 -","8","2","","Zhu, Dao-Yong; Fang, Lei; Han, Hui; Wang, Yazhou; Xia, Ji-Bao","Reductive CO2 Fixation via Tandem C-C and C-N Bond Formation: Synthesis of Spiro-indolepyrrolidines.","Organic letters","2017","19","16","4259","4262","10.1021/acs.orglett.7b01906","","x-ray","1.54184","CuKα","","0.0776","0.058","","","0.1681","0.2101","","","","","","1.044","","","","has coordinates","214153","2020-10-21","18:00:00",""
"1547072","9.229","0.007","11.78","0.009","11.881","0.008","116.064","0.007","93.344","0.008","103.846","0.015","1106.6","1.4","100","2","100","","","","","","","","","3","P -1","-P 1","2","","","","- C29 H22 O3 -","- C29 H22 O3 -","- C58 H44 O6 -","2","1","","Sicignano, Marina; Dentoni Litta, Antonella; Schettini, Rosaria; De Riccardis, Francesco; Pierri, Giovanni; Tedesco, Consiglia; Izzo, Irene; Della Sala, Giorgio","Highly Diastereoselective Crown Ether Catalyzed Arylogous Michael Reaction of 3-Aryl Phthalides.","Organic letters","2017","19","16","4383","4386","10.1021/acs.orglett.7b02113","","","0.71073","MoKα","","0.108","0.0639","","","0.1482","0.1732","","","","","","0.991","","","","has coordinates","200588","2020-10-21","18:00:00",""
"1547073","11.5473","0.0019","11.75","0.002","18.402","0.003","78.259","0.009","74.402","0.008","88.332","0.01","2353.7","0.7","100","2","100","2","","","","","","","","3","P -1","-P 1","2","","","","- C28 H26 O6 -","- C28 H26 O6 -","- C112 H104 O24 -","4","2","","Sicignano, Marina; Dentoni Litta, Antonella; Schettini, Rosaria; De Riccardis, Francesco; Pierri, Giovanni; Tedesco, Consiglia; Izzo, Irene; Della Sala, Giorgio","Highly Diastereoselective Crown Ether Catalyzed Arylogous Michael Reaction of 3-Aryl Phthalides.","Organic letters","2017","19","16","4383","4386","10.1021/acs.orglett.7b02113","","","0.71073","MoKα","","0.2038","0.0919","","","0.2173","0.2825","","","","","","0.955","","","","has coordinates","200588","2020-10-21","18:00:00",""
"1547074","37.0871","0.0009","18.9011","0.0004","13.1357","0.0003","90","","106.015","0.008","90","","8850.6","0.5","296","","296","","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C21 H29 Br N2 O3 S -","- C21 H29 Br N2 O3 S -","- C336 H464 Br16 N32 O48 S16 -","16","2","","Abe, Takumi; Suzuki, Takuro; Anada, Masahiro; Matsunaga, Shigeki; Yamada, Koji","2-Hydroxyindoline-3-triethylammonium Bromide: A Reagent for Formal C3-Electrophilic Reactions of Indoles.","Organic letters","2017","19","16","4275","4278","10.1021/acs.orglett.7b01940","","","1.54187","CuKα","","0.0799","0.0618","","","0.1576","0.1673","","","","","","1.099","","","","has coordinates","200590","2020-10-21","18:00:00",""
"1547075","8.1638","0.0008","14.323","0.0011","13.4195","0.001","90","","107.745","0.009","90","","1494.5","0.2","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C20 H14 Cl N O -","- C20 H14 Cl N O -","- C80 H56 Cl4 N4 O4 -","4","1","","Kumar, Tarun; Mane, Vaijinath; Namboothiri, Irishi N. N.","Synthesis of Aminophenanthrenes and Benzoquinolines via Hauser-Kraus Annulation of Sulfonyl Phthalide with Rauhut-Currier Adducts of Nitroalkenes.","Organic letters","2017","19","16","4283","4286","10.1021/acs.orglett.7b01924","","","0.71073","MoKα","","0.1191","0.065","","","0.1647","0.2394","","","","","","1.076","","","","has coordinates","200592","2020-10-21","18:00:00",""
"1547076","12.9849","0.0003","18.5848","0.0006","26.1432","0.0007","90","","90","","90","","6308.9","0.3","123","","123","","","","","","","","","7","C 2 2 21","C 2c 2","20","","","","- C28 H54 B Fe N O2 P2 -","- C28 H54 B Fe N O2 P2 -","- C224 H432 B8 Fe8 N8 O16 P16 -","8","1","","Nakajima, Kazunari; Kato, Takeru; Nishibayashi, Yoshiaki","Hydroboration of Alkynes Catalyzed by Pyrrolide-Based PNP Pincer-Iron Complexes.","Organic letters","2017","19","16","4323","4326","10.1021/acs.orglett.7b01995","","","0.71075","MoKα","","0.1209","0.066","","","0.1408","0.152","","","","","","1","","","","has coordinates","200594","2020-10-21","18:00:00",""
"1547077","11.7456","0.0004","16.9831","0.0006","12.0924","0.0004","90","","94.193","0.001","90","","2405.7","0.14","100","2","100","2","","","","","","","","3","P 1 21 1","P 2yb","4","","","","- C30 H24 O6 -","- C30 H24 O6 -","- C120 H96 O24 -","4","2","","Zhang, Lan-Jun; Bi, De-Wen; Hu, Jiangmiao; Mu, Wei-Hua; Li, Yuan-Ping; Xia, Guang-Hui; Yang, Liu; Li, Xiao-Nian; Liang, Xue-Song; Wang, Li-Qin","Four Hybrid Flavan-Chalcones, Caesalpinnone A Possessing a 10,11-Dioxatricyclic [5.3.3.0(1,6)]Tridecane-Bridged System and Caesalpinflavans A-C from Caesalpinia enneaphylla.","Organic letters","2017","19","16","4315","4318","10.1021/acs.orglett.7b01955","","","1.54178","CuKα","","0.0625","0.0619","","","0.1571","0.1591","","","","","","1.047","","","","has coordinates","200595","2020-10-21","18:00:00",""
"1547078","9.098","0.002","12.686","0.003","12.465","0.003","90","","104.57","0.003","90","","1392.4","0.6","296","2","296","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C18 H15 N O -","- C18 H15 N O -","- C72 H60 N4 O4 -","4","1","","Geng, Xiao; Wu, Xia; Zhao, Peng; Zhang, Jingjing; Wu, Yan-Dong; Wu, An-Xin","Synergistic I2/Amine Promoted Povarov-Type Reaction for the Synthesis of 2-Acyl-3-aryl(alkyl)quinolines Using Aryl(alkyl)acetaldehydes as Alkene Surrogates.","Organic letters","2017","19","16","4179","4182","10.1021/acs.orglett.7b01686","","","0.71073","MoKα","","0.0518","0.042","","","0.114","0.1237","","","","","","1.034","","","","has coordinates","200596","2020-10-21","18:00:00",""
"1547079","5.6401","0.0007","15.5044","0.0018","23.257","0.003","90","","90","","90","","2033.7","0.4","100","2","100","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","AEW-II-133","","","- C22 H26 N2 O3 S -","- C22 H26 N2 O3 S -","- C88 H104 N8 O12 S4 -","4","1","","Li, Kangnan; Weber, Alexandria E.; Tseng, Luke; Malcolmson, Steven J.","Diastereoselective and Enantiospecific Synthesis of 1,3-Diamines via 2-Azaallyl Anion Benzylic Ring-Opening of Aziridines.","Organic letters","2017","19","16","4239","4242","10.1021/acs.orglett.7b01886","","","0.71073","MoKα","","0.0455","0.0381","","","0.0945","0.0988","","","","","","1.044","","","","has coordinates","200597","2020-10-21","18:00:00",""
"1547080","11.401","0.003","9.001","0.002","17.228","0.005","90","","100.234","0.007","90","","1739.8","0.8","120","2","120","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C19 H22 O2 S2 -","- C19 H22 O2 S2 -","- C76 H88 O8 S8 -","4","1","","Lvov, Andrey G.; Milevsky, Nikita A.; Yanina, Anna M.; Kachala, Vadim V.; Shirinian, Valerii Z.","Aerobic Dimerization of Ethyl 4-Thienyl-3-ketobutanoate toward a Modifiable Photochromic Diarylethene Precursor.","Organic letters","2017","19","16","4395","4398","10.1021/acs.orglett.7b02143","","","0.71073","MoKα","","0.0928","0.0599","","","0.1459","0.1641","","","","","","1.041","","","","has coordinates","200598","2020-10-21","18:00:00",""
"1547081","8.8973","0.0005","10.3854","0.0006","10.5682","0.0005","113.149","0.002","92.819","0.002","112.907","0.002","803.17","0.08","150","2","150","2","","","","","","","","4","P 1","P 1","1","","","","- C17 H18 N4 O3 -","- C17 H18 N4 O3 -","- C34 H36 N8 O6 -","2","2","","Bernar, Ivan; Fiser, Béla; Blanco-Ania, Daniel; Gómez-Bengoa, Enrique; Rutjes, Floris P. J. T.","Pd-Catalyzed Hydroamination of Alkoxyallenes with Azole Heterocycles: Examples and Mechanistic Proposal.","Organic letters","2017","19","16","4211","4214","10.1021/acs.orglett.7b01826","","","0.71073","MoKα","","0.0476","0.0429","","","0.1156","0.12","","","","","","1.027","","","","has coordinates","200599","2020-10-21","18:00:00",""
"1547082","7.529","0.0005","8.7083","0.0006","29.448","0.002","90","","90","","90","","1930.8","0.2","291","0.2","291","0.2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C24 H21 Cl N2 O -","- C24 H21 Cl N2 O -","- C96 H84 Cl4 N8 O4 -","4","1","","Wang, Kezhou; Wang, Linqing; Liu, Xihong; Li, Dan; Zhu, Haiyong; Wang, Pengxin; Liu, Yuyang; Yang, Dongxu; Wang, Rui","Development of Biligands Magnesium Catalysis in Asymmetric Conjugate Reactions of C3-Pyrrolyl-Oxindoles.","Organic letters","2017","19","16","4351","4354","10.1021/acs.orglett.7b02044","","","0.71073","MoKα","","0.0757","0.05","","","0.1015","0.1187","","","","","","1.047","","","","has coordinates","200600","2020-10-21","18:00:00",""
"1547083","5.5929","0.0003","11.3901","0.0003","22.1102","0.0004","90","","93.835","0.003","90","","1405.35","0.09","173","2","173","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C17 H14 N2 O3 -","- C17 H14 N2 O3 -","- C68 H56 N8 O12 -","4","1","","Shi, Pengfei; Wang, Lili; Guo, Shan; Chen, Kehao; Wang, Jie; Zhu, Jin","A C-H Activation-Based Strategy for N-Amino Azaheterocycle Synthesis.","Organic letters","2017","19","16","4359","4362","10.1021/acs.orglett.7b02066","","","1.54178","CuKα","","0.041","0.0389","","","0.1001","0.102","","","","","","1.035","","","","has coordinates","200601","2020-10-21","18:00:00",""
"1547084","7.8773","0.0003","7.9192","0.0003","10.3429","0.0003","87.686","0.001","89.889","0.001","85.028","0.001","642.26","0.04","173","2","173","2","","","","","","","","5","P -1","-P 1","2","","","","- C13 H13 F3 N2 O2 -","- C13 H13 F3 N2 O2 -","- C26 H26 F6 N4 O4 -","2","1","","Shi, Pengfei; Wang, Lili; Guo, Shan; Chen, Kehao; Wang, Jie; Zhu, Jin","A C-H Activation-Based Strategy for N-Amino Azaheterocycle Synthesis.","Organic letters","2017","19","16","4359","4362","10.1021/acs.orglett.7b02066","","","1.54178","CuKα","","0.0664","0.065","","","0.1708","0.1718","","","","","","1.069","","","","has coordinates","200602","2020-10-21","18:00:00",""
"1547085","20.8","0.005","13.066","0.003","16.207","0.004","90","","90","","90","","4404.6","1.8","173.15","","173.15","","","","","","","","","5","P c a 21","P 2c -2ac","29","","","","- C52 H50 N2 O4 Si -","- C52 H50 N2 O4 Si -","- C208 H200 N8 O16 Si4 -","4","1","","Ma, Zetong; Xiao, Chengyi; Liu, Chunming; Meng, Dong; Jiang, Wei; Wang, Zhaohui","Palladium-Catalyzed Si-C Bond Formation toward Sila-Annulated Perylene Diimides.","Organic letters","2017","19","16","4331","4334","10.1021/acs.orglett.7b02011","","","0.710747","MoKα","","0.1085","0.094","","","0.2299","0.2407","","","","","","1.105","","","","has coordinates,has disorder","200603","2020-10-21","18:00:00",""
"1547086","28.533","0.008","6.3805","0.0018","21.155","0.006","90","","99.386","0.004","90","","3799.8","1.9","173","","173","","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C40 H28 F14 N2 O4 Si2 -","- C40 H28 F14 N2 O4 Si2 -","- C160 H112 F56 N8 O16 Si8 -","4","0.5","","Ma, Zetong; Xiao, Chengyi; Liu, Chunming; Meng, Dong; Jiang, Wei; Wang, Zhaohui","Palladium-Catalyzed Si-C Bond Formation toward Sila-Annulated Perylene Diimides.","Organic letters","2017","19","16","4331","4334","10.1021/acs.orglett.7b02011","","","0.71075","MoKα","","0.0655","0.0601","","","0.1409","0.1447","","","","","","1.112","","","","has coordinates","200604","2020-10-21","18:00:00",""
"1547087","16.491","0.011","16.508","0.011","13.19","0.009","90","","102.583","0.013","90","","3505","4","173","2","173","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C36 H20 F14 N2 O4 Si -","- C36 H20 F14 N2 O4 Si -","- C144 H80 F56 N8 O16 Si4 -","4","1","","Ma, Zetong; Xiao, Chengyi; Liu, Chunming; Meng, Dong; Jiang, Wei; Wang, Zhaohui","Palladium-Catalyzed Si-C Bond Formation toward Sila-Annulated Perylene Diimides.","Organic letters","2017","19","16","4331","4334","10.1021/acs.orglett.7b02011","","","0.71073","MoKα","","0.1609","0.1319","","","0.2287","0.2451","","","","","","1.23","","","","has coordinates","200605","2020-10-21","18:00:00",""
"1547088","12.123","0.002","15.118","0.003","18.055","0.004","67.88","0.03","82.56","0.03","70.67","0.03","2892.6","1.3","173","2","173","2","","","","","","","","5","P -1","-P 1","2","","","","- C70 H74 N2 O4 Si2 -","- C70 H74 N2 O4 Si2 -","- C140 H148 N4 O8 Si4 -","2","1","","Ma, Zetong; Xiao, Chengyi; Liu, Chunming; Meng, Dong; Jiang, Wei; Wang, Zhaohui","Palladium-Catalyzed Si-C Bond Formation toward Sila-Annulated Perylene Diimides.","Organic letters","2017","19","16","4331","4334","10.1021/acs.orglett.7b02011","","","0.71073","MoKα","","0.1139","0.0959","","","0.2188","0.2309","","","","","","1.171","","","","has coordinates,has disorder","200606","2020-10-21","18:00:00",""
"1547089","5.8603","0.0002","8.7507","0.0003","19.9834","0.0006","95.115","0.002","90.454","0.002","97.456","0.002","1011.87","0.06","296","2","296","2","","","","","","","","5","P 1","P 1","1","","","","- C19 H25 N3 O7 S -","- C19 H25 N3 O7 S -","- C38 H50 N6 O14 S2 -","2","2","","Prasad, Sure Siva; Senthilkumar, Soundararasu; Srivastava, Akriti; Baskaran, Sundarababu","Iminosugar C-Nitromethyl Glycosides and Divergent Synthesis of Bicyclic Iminosugars.","Organic letters","2017","19","16","4403","4406","10.1021/acs.orglett.7b02175","","","0.71073","MoKα","","0.0412","0.0377","","","0.0948","0.0976","","","","","","1.048","","","","has coordinates,has disorder","200607","2020-10-21","18:00:00",""
"1547090","6.761","0.0015","7.2814","0.0016","13.336","0.003","78.215","0.008","85.488","0.008","72.757","0.007","613.7","0.2","150","","150","","","","","","","","synthesis as described","6","P -1","-P 1","2","","","","- C10 H10 Br Mn N2 O3 -","- C10 H10 Br Mn N2 O3 -","- C20 H20 Br2 Mn2 N4 O6 -","2","1","","Bruneau-Voisine, Antoine; Wang, Ding; Dorcet, Vincent; Roisnel, Thierry; Darcel, Christophe; Sortais, Jean-Baptiste","Transfer Hydrogenation of Carbonyl Derivatives Catalyzed by an Inexpensive Phosphine-Free Manganese Precatalyst.","Organic letters","2017","19","13","3656","3659","10.1021/acs.orglett.7b01657","","x-ray","0.71073","MoKα","","0.0449","0.0398","","","0.1038","0.1066","","","","","","1.059","","","","has coordinates","200608","2020-10-21","18:00:00",""
"1547091","12.2212","0.0012","13.1633","0.0013","12.165","0.0011","90","","89.91","0.005","90","","1957","0.3","296","2","296.15","","","","","","","","","4","P 1 21 1","P 2yb","4","3-alkylated indole","(S)-2-(2-methyl-1H-indol-3-yl)-1,4-diphenylbutane-1,4-dione","","- C25 H21 N O2 -","- C25 H21 N O2 -","- C100 H84 N4 O8 -","4","2","","Chatterjee, Sourav; Hintermann, Lukas; Mandal, Madhumita; Achari, Anushree; Gupta, Sreya; Jaisankar, Parasuraman","Fiaud's Acid: A Brønsted Acid Catalyst for Enantioselective Friedel-Crafts Alkylation of Indoles with 2-Alkene-1,4-diones.","Organic letters","2017","19","13","3426","3429","10.1021/acs.orglett.7b01383","","","0.71073","MoKα","","0.1198","0.0613","","","0.1561","0.2207","","","","","","1.078","","","","has coordinates","214153","2020-10-21","18:00:00",""
"1547092","6.5332","0.0016","8.086","0.002","44.285","0.011","90","","90","","90","","2339.5","1","296","2","296","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C25 H25 Br O7 -","- C25 H25 Br O7 -","- C100 H100 Br4 O28 -","4","1","","Gao, Ya-Ru; Wang, Da-Yu; Wang, Yong-Qiang","Asymmetric Syntheses of Amaryllidaceae Alkaloids (-)-Crinane and (+)-4a-Dehydroxycrinamabine.","Organic letters","2017","19","13","3516","3519","10.1021/acs.orglett.7b01486","","","0.71073","MoKα","","0.1343","0.0615","","","0.1176","0.1413","","","","","","1.004","","","","has coordinates","200610","2020-10-21","18:00:00",""
"1547093","7.5","0.007","10.984","0.01","12.966","0.012","79.535","0.012","87.356","0.011","75.611","0.01","1017.4","1.6","100","2","100","2","","","","","","","","4","P 1","P 1","1","","","","- C21 H22 N2 O7 -","- C21 H22 N2 O7 -","- C42 H44 N4 O14 -","2","2","","Read, Jacquelyne A.; Yang, Yingying; Woerpel, K. A.","Additions of Organomagnesium Halides to α-Alkoxy Ketones: Revision of the Chelation-Control Model.","Organic letters","2017","19","13","3346","3349","10.1021/acs.orglett.7b01161","","","0.71073","MoKα","","0.1368","0.0722","","","0.1502","0.1833","","","","","","1.016","","","","has coordinates","200611","2020-10-21","18:00:00",""
"1547094","7.2437","0.0012","15.956","0.003","15.979","0.003","93.5","0.004","95.99","0.004","100.034","0.004","1802.8","0.6","293","2","293","2","","","","","","","","6","P -1","-P 1","2","","","","- C36 H48 B N O5 Si -","- C36 H48 B N O5 Si -","- C72 H96 B2 N2 O10 Si2 -","2","1","","Xiong, Meijun; Xie, Xin; Liu, Yuanhong","Copper-Catalyzed Borylative Cyclization of in Situ Generated o-Allenylaryl Nitriles with Bis(pinacolato)diboron.","Organic letters","2017","19","13","3398","3401","10.1021/acs.orglett.7b01355","","","0.71073","MoKα","","0.1802","0.1021","","","0.2993","0.3626","","","","","","1.065","","","","has coordinates,has disorder","200612","2020-10-21","18:00:00",""
"1547095","10.89","0.003","12.636","0.003","8.646","0.002","90","","94.343","0.003","90","","1186.3","0.5","143","","143","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C14 H10 I N -","- C14 H10 I N -","- C56 H40 I4 N4 -","4","1","","Sakata, Naoki; Sasakura, Kohei; Matsushita, Gaku; Okamoto, Kazuhiro; Ohe, Kouichi","Copper-Catalyzed Regio- and Stereoselective Iodocyanation and Dicyanation of Alkynes with Cyanogen Iodide.","Organic letters","2017","19","13","3422","3425","10.1021/acs.orglett.7b01378","","","0.71075","MoKα","","0.0247","0.0209","","","0.0574","0.0586","","","","","","1.089","","","","has coordinates","200613","2020-10-21","18:00:00",""
"1547096","20.109","","20.109","","9.5683","0.0006","90","","90","","90","","3869.2","0.2","293","2","293.15","","","","","","","","","4","P 42/n","-P 4bc","86","","","","- C21 H17 N3 O3 -","- C21 H17 N3 O3 -","- C168 H136 N24 O24 -","8","","","Li, Xuanxuan; Fang, Xinxin; Zhuang, Shengyi; Liu, Ping; Sun, Peipei","Photoredox Catalysis: Construction of Polyheterocycles via Alkoxycarbonylation/Addition/Cyclization Sequence.","Organic letters","2017","19","13","3580","3583","10.1021/acs.orglett.7b01553","","","1.54184","CuKα","","0.0552","0.0492","","","0.1486","0.1549","","","","","","1.041","","","","has coordinates","200614","2020-10-21","18:00:00",""
"1547097","12.241","0.004","5.7694","0.0018","18.543","0.006","90","","101.136","0.008","90","","1284.9","0.7","100","2","100","2","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","","","- C17 H16 O2 -","- C17 H16 O2 -","- C68 H64 O8 -","4","1","","Chaudhari, Moreshwar B.; Sutar, Yogesh; Malpathak, Shreyas; Hazra, Anirban; Gnanaprakasam, Boopathy","Transition-Metal-Free C-H Hydroxylation of Carbonyl Compounds.","Organic letters","2017","19","13","3628","3631","10.1021/acs.orglett.7b01616","","","0.71073","MoKα","","0.1276","0.1097","","","0.382","0.3919","","","","","","1.175","","","","has coordinates","200615","2020-10-21","18:00:00",""
"1547098","27.948","0.003","10.781","0.0012","21.83","0.002","90","","124.025","0.001","90","","5451.4","1","296","2","296","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C32 H25 F3 N2 O2 -","- C32 H25 F3 N2 O2 -","- C256 H200 F24 N16 O16 -","8","1","","Qin, Shuang; Zheng, Yan; Zhang, Fa-Guang; Ma, Jun-An","One-Pot Cascade Transformations of Zinc Trifluorodiazoethylide and α,β-Unsaturated Enones: Access to Trifluoromethylated Polycyclic Pyrazolines.","Organic letters","2017","19","13","3406","3409","10.1021/acs.orglett.7b01362","","","0.71073","MoKα","","0.0889","0.0616","","","0.1727","0.1963","","","","","","1.066","","","","has coordinates","200616","2020-10-21","18:00:00",""
"1547099","11.6546","0.0013","6.183","0.0005","23.033","0.003","90","","100.63","0.006","90","","1631.3","0.3","100","2","100","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","PD-VII-249","","","- C21 H21 N O -","- C21 H21 N O -","- C84 H84 N4 O4 -","4","1","","Daniel, Paige E.; Weber, Alexandria E.; Malcolmson, Steven J.","Umpolung Synthesis of 1,3-Amino Alcohols: Stereoselective Addition of 2-Azaallyl Anions to Epoxides.","Organic letters","2017","19","13","3490","3493","10.1021/acs.orglett.7b01471","","","0.71073","MoKα","","0.0719","0.0569","","","0.1557","0.1676","","","","","","1.044","","","","has coordinates","200617","2020-10-21","18:00:00",""
"1547100","16.0693","0.0016","54.037","0.005","10.9426","0.0011","90","","90","","90","","9501.9","1.6","296","2","296.15","","","","","","","","","5","F d d 2","F 2 -2d","43","","","","- C25 H30 N2 O4 S -","- C25 H30 N2 O4 S -","- C400 H480 N32 O64 S16 -","16","1","","Zhao, Quan-Qing; Chen, Jun; Yan, Dong-Mei; Chen, Jia-Rong; Xiao, Wen-Jing","Photocatalytic Hydrazonyl Radical-Mediated Radical Cyclization/Allylation Cascade: Synthesis of Dihydropyrazoles and Tetrahydropyridazines.","Organic letters","2017","19","13","3620","3623","10.1021/acs.orglett.7b01609","","","0.71073","MoKα","","0.0358","0.032","","","0.0831","0.086","","","","","","1.043","","","","has coordinates","200619","2020-10-21","18:00:00",""
"1547101","6.1106","0.0004","9.3146","0.0006","18.416","0.0011","90","","90","","90","","1048.2","0.11","200","2","200","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C11 H11 Cl O3 -","- C11 H11 Cl O3 -","- C44 H44 Cl4 O12 -","4","1","","Huang, Wei-Lun; Raja, Arun; Hong, Bor-Cherng; Lee, Gene-Hsiang","Organocatalytic Enantioselective Michael-Acetalization-Reduction-Nef Reaction for a One-Pot Entry to the Functionalized Aflatoxin System. Total Synthesis of (-)- Dihydroaflatoxin D2 and (-)- and (+)-Microminutinin.","Organic letters","2017","19","13","3494","3497","10.1021/acs.orglett.7b01473","","","1.54178","CuKα","","0.0413","0.04","","","0.1118","0.113","","","","","","1.301","","","","has coordinates","200620","2020-10-21","18:00:00",""
"1547102","9.8874","0.001","11.4556","0.0012","37.795","0.004","90","","90","","90","","4280.9","0.8","173","2","173","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C19 H27 B I N O5 -","- C19 H27 B I N O5 -","- C152 H216 B8 I8 N8 O40 -","8","2","","Chen, Lili; Zou, Xiaoliang; Zhao, Haonan; Xu, Senmiao","Copper-Catalyzed Asymmetric Protoboration of β-Amidoacrylonitriles and β-Amidoacrylate Esters: An Efficient Approach to Functionalized Chiral α-Amino Boronate Esters.","Organic letters","2017","19","13","3676","3679","10.1021/acs.orglett.7b01740","","","0.71073","MoKα","","0.0447","0.0428","","","0.1063","0.1076","","","","","","1.038","","","","has coordinates","214153","2020-10-21","18:00:00",""
"1547103","7.742","0.0002","10.5041","0.0003","11.1422","0.0003","97.83","0.002","94.56","0.002","103.792","0.002","865.86","0.04","230","2","230","2","","","","","","","","5","P -1","-P 1","2","","","","- C18 H24 B N3 O2 -","- C18 H24 B N3 O2 -","- C36 H48 B2 N6 O4 -","2","1","","Allen, Thomas H.; Kawamoto, Takuji; Gardner, Sean; Geib, Steven J.; Curran, Dennis P.","N-Heterocyclic Carbene Boryl Iodides Catalyze Insertion Reactions of N-Heterocyclic Carbene Boranes and Diazoesters.","Organic letters","2017","19","13","3680","3683","10.1021/acs.orglett.7b01777","","","1.54178","CuKα","","0.0445","0.0407","","","0.1376","0.1418","","","","","","1.721","","","","has coordinates","200622","2020-10-21","18:00:00",""
"1547104","18.6435","0.0007","6.1999","0.0002","15.8122","0.0006","90","","90.137","0.003","90","","1827.69","0.11","290.64","0.1","290.64","0.1","","","","","","","","4","C 1 2 1","C 2y","5","","","","- C19 H26 Cl O3.5 -","- C19 H26 Cl O3.5 -","- C76 H104 Cl4 O14 -","4","1","","Luo, Weiwei; Lin, Lili; Zhang, Yu; Liu, Xiaohua; Feng, Xiaoming","Construction of Distant Stereocenters by Enantioselective Desymmetrizing Carbonyl-Ene Reaction.","Organic letters","2017","19","13","3374","3377","10.1021/acs.orglett.7b01329","","x-ray","1.54184","CuKα","","0.06","0.0572","","","0.1533","0.1587","","","","","","1.074","","","","has coordinates","200623","2020-10-21","18:00:00",""
"1547105","9.3681","0.0003","9.682","0.0003","23.6969","0.0007","90","","90","","90","","2149.35","0.11","295","2","295","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C24 H26 N2 O2 S -","- C24 H26 N2 O2 S -","- C96 H104 N8 O8 S4 -","4","1","","Tian, Hua; Zhang, Pengxiang; Peng, Fei; Yang, Haijun; Fu, Hua","Chiral Cyclic Ligand-Enabled Iridium-Catalyzed Asymmetric Arylation of Unactivated Racemic Allylic Alcohols with Anilines.","Organic letters","2017","19","14","3775","3778","10.1021/acs.orglett.7b01631","","","1.54178","CuKα","","0.0326","0.0303","","","0.0785","0.0797","","","","","","1.066","","","","has coordinates","200624","2020-10-21","18:00:00",""
"1547106","10.796","","11.834","","19.55","","90","","97.95","","90","","2473.7","","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C26 H25 N O5 S2 -","- C26 H25 N O5 S2 -","- C104 H100 N4 O20 S8 -","4","1","","Sun, Jiaqiong; Zheng, Guangfan; Zhang, Qiao; Wang, Yimin; Yang, Shengbiao; Zhang, Qian; Li, Yan; Zhang, Qian","Copper-Catalyzed Imidovinylation of Alkynes via 1,3-Vinyl Migration.","Organic letters","2017","19","14","3767","3770","10.1021/acs.orglett.7b01599","","","0.71073","MoKα","","0.0724","0.0497","","","0.1285","0.1439","","","","","","0.876","","","","has coordinates","200625","2020-10-21","18:00:00",""
"1547107","7.805","0.0003","11.0195","0.0004","21.568","0.0007","90","","93.907","0.001","90","","1850.69","0.11","298","2","298","2","","","","","","","","3","P 1 21 1","P 2yb","4","","","","- C20 H30 O5 -","- C20 H30 O5 -","- C80 H120 O20 -","4","2","","Zhou, Junfei; Zhan, Guanqun; Zhang, Hanqi; Zhang, Qihua; Li, Ying; Xue, Yongbo; Yao, Guangmin","Rhodomollanol A, a Highly Oxygenated Diterpenoid with a 5/7/5/5 Tetracyclic Carbon Skeleton from the Leaves of Rhododendron molle.","Organic letters","2017","19","14","3935","3938","10.1021/acs.orglett.7b01863","","","1.54178","CuKα","","0.0363","0.0349","","","0.0976","0.099","","","","","","1.046","","","","has coordinates","200626","2020-10-21","18:00:00",""
"1547108","8.6611","0.0005","11.0315","0.0006","24.1732","0.0012","90","","98.964","0.005","90","","2281.4","0.2","293","2","293.15","","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C23 H22 N4 O5 S2 -","- C23 H22 N4 O5 S2 -","- C92 H88 N16 O20 S8 -","4","1","","Zheng, Xuchun; Wan, Yanjun; Ling, Fei; Ma, Cheng","Copper-Catalyzed Tandem Reaction of Terminal Alkynes and Sulfonyl Azides for the Assembly of Substituted Aminotriazoles.","Organic letters","2017","19","14","3859","3862","10.1021/acs.orglett.7b01729","","","0.71073","MoKα","","0.0754","0.0501","","","0.1192","0.1375","","","","","","1.014","","","","has coordinates","200627","2020-10-21","18:00:00",""
"1547109","9.7392","0.0008","10.1552","0.0008","10.2805","0.0008","100.715","0.007","102.225","0.007","114.844","0.008","857.35","0.15","293","2","293.15","","","","","","","","","5","P -1","-P 1","2","","","","- C17 H18 N4 O2 S -","- C17 H18 N4 O2 S -","- C34 H36 N8 O4 S2 -","2","1","","Zheng, Xuchun; Wan, Yanjun; Ling, Fei; Ma, Cheng","Copper-Catalyzed Tandem Reaction of Terminal Alkynes and Sulfonyl Azides for the Assembly of Substituted Aminotriazoles.","Organic letters","2017","19","14","3859","3862","10.1021/acs.orglett.7b01729","","","0.71073","MoKα","","0.0883","0.0585","","","0.1417","0.169","","","","","","1.033","","","","has coordinates","200627","2020-10-21","18:00:00",""
"1547110","10.3276","0.0003","8.421","0.0003","13.1353","0.0004","90","","95.4153","0.0015","90","","1137.26","0.06","296","2","296","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C23 H31 N O5 -","- C23 H31 N O5 -","- C46 H62 N2 O10 -","2","1","","Mallik, Sumitava; Bhajammanavar, Vinod; Ramakrishna, Isai; Baidya, Mahiuddin","Cross-Aldol Reaction of Activated Carbonyls with Nitrosocarbonyl Intermediates: Stereoselective Synthesis toward α-Hydroxy-β-amino Esters and Amides.","Organic letters","2017","19","14","3843","3846","10.1021/acs.orglett.7b01721","","","0.71073","MoKα","","0.0586","0.0433","","","0.0982","0.1074","","","","","","1.048","","","","has coordinates","200628","2020-10-21","18:00:00",""
"1547111","9.9071","0.0004","12.2529","0.0005","13.6988","0.0006","98.655","0.001","110.948","0.001","98.93","0.001","1495.45","0.11","296","2","296","2","","","","","","","","5","P -1","-P 1","2","","","","- C34 H31 Br N2 O4 -","- C34 H31 Br N2 O4 -","- C68 H62 Br2 N4 O8 -","2","1","","Kang, Zhenghui; Zhang, Dan; Hu, Wenhao","Regio- and Diastereoselective Three-Component Reactions via Trapping of Ammonium Ylides with N-Alkylquinolinium Salts: Synthesis of Multisubstituted Tetra- and Dihydroquinoline Derivatives.","Organic letters","2017","19","14","3783","3786","10.1021/acs.orglett.7b01664","","","0.71073","MoKα","","0.0543","0.0367","","","0.0799","0.0907","","","","","","1.04","","","","has coordinates","200629","2020-10-21","18:00:00",""
"1547112","12.1984","0.0004","10.6577","0.0004","23.0168","0.0008","90","","102.007","0.001","90","","2926.88","0.18","296","2","296","2","","","","","","","","5","P 1 2/c 1","-P 2yc","13","","","","- C34 H31 Br N2 O4 -","- C34 H31 Br N2 O4 -","- C136 H124 Br4 N8 O16 -","4","1","","Kang, Zhenghui; Zhang, Dan; Hu, Wenhao","Regio- and Diastereoselective Three-Component Reactions via Trapping of Ammonium Ylides with N-Alkylquinolinium Salts: Synthesis of Multisubstituted Tetra- and Dihydroquinoline Derivatives.","Organic letters","2017","19","14","3783","3786","10.1021/acs.orglett.7b01664","","","0.71073","MoKα","","0.0611","0.0427","","","0.104","0.1147","","","","","","1.029","","","","has coordinates","200630","2020-10-21","18:00:00",""
"1547113","11.9227","0.0017","12.587","0.002","17.743","0.002","104.756","0.004","102.056","0.004","106.028","0.004","2360.5","0.6","110","2","110","2","","","","","","","","3","P -1","-P 1","2","","","","- C50 H60 O20 -","- C50 H60 O20 -","- C100 H120 O40 -","2","1","","Zafrani, Yossi; Cohen, Yoram","Calix[4, 5]tetrolarenes: A New Family of Macrocycles.","Organic letters","2017","19","14","3719","3722","10.1021/acs.orglett.7b01511","","","0.71073","MoKα","","0.1164","0.0679","","","0.1661","0.1942","","","","","","1.03","","","","has coordinates","200631","2020-10-21","18:00:00",""
"1547114","12.1454","0.0005","7.1266","0.0002","15.9769","0.0006","90","","97.206","0.003","90","","1371.96","0.09","100","","100","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","5-(indolin-1-yl)-2-methyl-4-phenyloxazole","","- C18 H16 N2 O -","- C18 H16 N2 O -","- C72 H64 N8 O4 -","4","1","","Di Mauro, Giovanni; Maryasin, Boris; Kaiser, Daniel; Shaaban, Saad; González, Leticia; Maulide, Nuno","Mechanistic Pathways in Amide Activation: Flexible Synthesis of Oxazoles and Imidazoles.","Organic letters","2017","19","14","3815","3818","10.1021/acs.orglett.7b01678","","x-ray","1.54178","CuKα","","0.0515","0.0385","","","0.087","0.0923","","","","","","1.024","","","","has coordinates","200632","2020-10-21","18:00:00",""
"1547115","8.2009","0.0004","17.7433","0.0007","18.2546","0.0007","90","","90","","90","","2656.2","0.2","100","2","100","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C30 H36 O7 -","- C30 H36 O7 -","- C120 H144 O28 -","4","1","","Wang, Li; Yang, Jing; Kong, Ling-Mei; Deng, Jun; Xiong, Zijun; Huang, Jianping; Luo, Jianying; Yan, Yijun; Hu, Yikao; Li, Xiao-Nian; Li, Yan; Zhao, Yong; Huang, Sheng-Xiong","Natural and Semisynthetic Tigliane Diterpenoids with New Carbon Skeletons from Euphorbia dracunculoides as a Wnt Signaling Pathway Inhibitor.","Organic letters","2017","19","14","3911","3914","10.1021/acs.orglett.7b01813","","","1.54178","CuKα","","0.165","0.1305","","","0.3415","0.388","","","","","","1.426","","","","has coordinates","200633","2020-10-21","18:00:00",""
"1547116","9.1962","0.0005","10.3604","0.0006","10.8251","0.0006","66.281","0.002","78.926","0.002","66.979","0.002","868.32","0.09","296","2","296","2","","","","","","","","5","P -1","-P 1","2","vbchem134_0m_a","","","- C19 H20 Cl N3 O -","- C19 H20 Cl N3 O -","- C38 H40 Cl2 N6 O2 -","2","1","","Mondal, Susmita; Samanta, Sadhanendu; Singsardar, Mukta; Hajra, Alakananda","Aminomethylation of Imidazoheterocycles with Morpholine.","Organic letters","2017","19","14","3751","3754","10.1021/acs.orglett.7b01594","","","0.71073","MoKα","","0.0769","0.0583","","","0.1658","0.1969","","","","","","1.181","","","","has coordinates","200634","2020-10-21","18:00:00",""
"1547117","7.7258","0.0006","26.4404","0.0019","15.2454","0.0012","90","","95.607","0.002","90","","3099.3","0.4","100","2","100","2","","","","","","","","8","P 1 21/c 1","-P 2ybc","14","","","","- C32 H35 Br Co F6 N O Sb -","- C31 H35 Br Co F6 N2 O Sb -","- C124 H140 Br4 Co4 F24 N8 O4 Sb4 -","4","1","","Sen, Malay; Dahiya, Pardeep; Premkumar, J. Richard; Sundararaju, Basker","Dehydrative Cp*Co(III)-Catalyzed C-H Bond Allenylation.","Organic letters","2017","19","14","3699","3702","10.1021/acs.orglett.7b01415","","","0.71073","MoKα","","0.0617","0.0431","","","0.098","0.1044","","","","","","1.064","","","","has coordinates","200635","2020-10-21","18:00:00",""
"1547118","9.6628","0.0017","18.241","0.003","11.829","0.002","90","","90","","90","","2085","0.6","298","2","298","2","","","","","","","","4","P n a 21","P 2c -2n","33","","","","- C25 H21 N2 O3 -","- C25 H21 N2 O3 -","- C100 H84 N8 O12 -","4","1","","Singh, Ravi P.; Das, Jayanta; Yousufuddin, Muhammed; Gout, Delphine; Lovely, Carl J.","Tandem Oxidative Dearomatizing Spirocyclizations of Propargyl Guanidines and Ureas.","Organic letters","2017","19","15","4110","4113","10.1021/acs.orglett.7b01898","","","0.71073","MoKα","","0.085","0.0647","","","0.1616","0.1762","","","","","","1.038","","","","has coordinates","200636","2020-10-21","18:00:00",""
"1547119","7.9901","0.0013","9.9985","0.0016","16.101","0.003","101.591","0.003","98.611","0.003","107.446","0.003","1171.4","0.3","296","2","296","2","","","","","","","","3","P -1","-P 1","2","","","","- C17 H10 O2 -","- C17 H10 O2 -","- C68 H40 O8 -","4","2","","Chen, Renjie; Cui, Sunliang","Rh(III)-Catalyzed C-H Activation/Cyclization of Benzamides and Diazonaphthalen-2(1H)-ones for Synthesis of Lactones.","Organic letters","2017","19","15","4002","4005","10.1021/acs.orglett.7b01728","","","0.71073","MoKα","","0.0968","0.059","","","0.1513","0.1723","","","","","","1.043","","","","has coordinates","200637","2020-10-21","18:00:00",""
"1547120","25.0398","0.0015","10.8136","0.0005","18.7266","0.0012","90","","104.572","0.002","90","","4907.5","0.5","100","2","100","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C27 H33 N O5 -","- C27 H33 N O5 -","- C216 H264 N8 O40 -","8","1","","Liao, Jia-Yu; Ni, Qijian; Zhao, Yu","Catalyst-Enabled Scaffold Diversity: Highly Chemo- and Stereoselective Synthesis of Tricyclic Ketals and Triarylmethanes.","Organic letters","2017","19","15","4074","4077","10.1021/acs.orglett.7b01851","","","0.71073","MoKα","","0.0821","0.0539","","","0.1255","0.1431","","","","","","1.017","","","","has coordinates","200638","2020-10-21","18:00:00",""
"1547121","7.882","0.0002","9.3288","0.0002","11.9801","0.0008","90","","105.794","0.007","90","","847.64","0.07","85","2","85","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C9 H12 O3 -","- C9 H12 O3 -","- C36 H48 O12 -","4","1","","Armaly, Ahlam M.; Bar, Sukanta; Schindler, Corinna S.","Aluminum Chloride-Mediated Dieckmann Cyclization for the Synthesis of Cyclic 2-Alkyl-1,3-alkanediones: One-Step Synthesis of the Chiloglottones.","Organic letters","2017","19","15","3958","3961","10.1021/acs.orglett.7b01622","","","1.54178","CuKα","","0.0425","0.0417","","","0.1023","0.1034","","","","","","1.065","","","","has coordinates","200639","2020-10-21","18:00:00",""
"1547122","11.4016","0.0011","7.4909","0.0008","21.112","0.002","90","","93.186","0.003","90","","1800.4","0.3","298","2","298.12","","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C23 H17 N3 O2 -","- C23 H17 N3 O2 -","- C92 H68 N12 O8 -","4","1","","Liu, Shuang-Liang; Li, Yang; Guo, Jun-Ru; Yang, Guang-Chao; Li, Xue-Hong; Gong, Jun-Fang; Song, Mao-Ping","An Approach to 3-(Indol-2-yl)succinimide Derivatives by Manganese-Catalyzed C-H Activation.","Organic letters","2017","19","15","4042","4045","10.1021/acs.orglett.7b01795","","","0.71073","MoKα","","0.0577","0.0412","","","0.1022","0.1113","","","","","","1.055","","","","has coordinates","200640","2020-10-21","18:00:00",""
"1547123","9.0918","0.0015","12.255","0.002","12.832","0.002","74.988","0.003","88.662","0.003","88.721","0.003","1380.4","0.4","100.01","0.1","100.01","0.1","","","","","","","","5","P -1","-P 1","2","","","","- C30 H32 N2 O4 S -","- C30 H32 N2 O4 S -","- C60 H64 N4 O8 S2 -","2","1","","Li, Tian-Ren; Lu, Liang-Qiu; Wang, Ya-Ni; Wang, Bao-Cheng; Xiao, Wen-Jing","Divergent Synthesis of Polycyclic Indolines: Copper-Catalyzed Cascade Reactions of Propargylic Carbamates and Indoles.","Organic letters","2017","19","15","4098","4101","10.1021/acs.orglett.7b01903","","","0.71073","MoKα","","0.0881","0.064","","","0.1948","0.2261","","","","","","1.031","","","","has coordinates","200641","2020-10-21","18:00:00",""
"1547124","7.7055","0.0006","25.8797","0.0014","13.0746","0.0011","90","","107.697","0.007","90","","2483.9","0.3","170.1","","170.1","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C32 H23 Br2 N O -","- C32 H23 Br2 N O -","- C128 H92 Br8 N4 O4 -","4","1","","Huang, Kai; Sheng, Guorong; Lu, Ping; Wang, Yanguang","BF3-Promoted Divergent Reactions between Tryptophols and Propargylic Alcohols.","Organic letters","2017","19","15","4114","4117","10.1021/acs.orglett.7b01769","","","0.71073","MoKα","","0.0635","0.0428","","","0.088","0.0963","","","","","","1.031","","","","has coordinates","200642","2020-10-21","18:00:00",""
"1547125","7.2089","0.0018","8.081","0.002","20.594","0.006","81.103","0.009","84.522","0.012","84.478","0.011","1175.8","0.5","173","2","173","2","","","","","","","","4","P 1","P 1","1","","","","- C26 H26 N4 O5 -","- C26 H26 N4 O5 -","- C52 H52 N8 O10 -","2","2","","Kadam, Abhishek A.; Ellern, Arkady; Stanley, Levi M.","Enantioselective, Palladium-Catalyzed Conjugate Additions of Arylboronic Acids to Form Bis-benzylic Quaternary Stereocenters.","Organic letters","2017","19","15","4062","4065","10.1021/acs.orglett.7b01825","","","1.54178","CuKα","","0.0399","0.034","","","0.0889","0.0927","","","","","","1.038","","","","has coordinates","200643","2020-10-21","18:00:00",""
"1547126","11.603","0.0007","7.704","0.0007","16.6899","0.0011","90","","95.102","0.006","90","","1485.99","0.19","170","","170","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C18 H15 Cl N2 O -","- C18 H15 Cl N2 O -","- C72 H60 Cl4 N8 O4 -","4","1","","Li, Bo; Fang, Sheng-Long; Huang, Dan-Ying; Shi, Bing-Feng","Ru-Catalyzed Meta-C-H Benzylation of Arenes with Toluene Derivatives.","Organic letters","2017","19","15","3950","3953","10.1021/acs.orglett.7b01529","","","0.71073","MoKα","","0.0633","0.0459","","","0.111","0.1262","","","","","","1.051","","","","has coordinates","200644","2020-10-21","18:00:00",""
"1547127","14.396","0.002","14.396","0.002","68.44","0.009","90","","90","","90","","14184","3","100","","100","","","","","","","","","5","P 41 2 2","P 4w 2c","91","","","","- C64 H41 F12 N7 O10 -","- C64 H37 F12 N7 O10 -","- C512 H296 F96 N56 O80 -","8","1","","Ema, Tadashi; Yokoyama, Maki; Watanabe, Sagiri; Sasaki, Sota; Ota, Hiromi; Takaishi, Kazuto","Chiral Macrocyclic Organocatalysts for Kinetic Resolution of Disubstituted Epoxides with Carbon Dioxide.","Organic letters","2017","19","15","4070","4073","10.1021/acs.orglett.7b01838","","","0.71075","MoKα","","0.1606","0.1474","","","0.3265","0.3382","","","","","","1.17","","","","has coordinates","200645","2020-10-21","18:00:00",""
"1547128","25.998","0.002","12.1491","0.0011","11.3547","0.0011","90","","103.78","0.005","90","","3483.2","0.5","298","2","298","2","","","","","","","","4","C 1 2 1","C 2y","5","","","","- C17 H24 N O6.5 -","- C17 H24 N O6.5 -","- C136 H192 N8 O52 -","8","2","","Zhan, Guanqun; Zhou, Junfei; Liu, Junjun; Huang, Jinfeng; Zhang, Hanqi; Liu, Rong; Yao, Guangmin","Acetylcholinesterase Inhibitory Alkaloids from the Whole Plants of Zephyranthes carinata.","Journal of natural products","2017","80","9","2462","2471","10.1021/acs.jnatprod.7b00301","","","1.54178","CuKα","","0.0679","0.0625","","","0.1614","0.1682","","","","","","1.116","","","","has coordinates,has disorder","217633","2020-10-21","18:00:00",""
"1547129","9.535","0.0003","7.4498","0.0002","14.7161","0.0004","90","","103.488","0.001","90","","1016.51","0.05","298","2","298","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C18 H29 N O8 -","- C18 H29 N O8 -","- C36 H58 N2 O16 -","2","1","","Zhan, Guanqun; Zhou, Junfei; Liu, Junjun; Huang, Jinfeng; Zhang, Hanqi; Liu, Rong; Yao, Guangmin","Acetylcholinesterase Inhibitory Alkaloids from the Whole Plants of Zephyranthes carinata.","Journal of natural products","2017","80","9","2462","2471","10.1021/acs.jnatprod.7b00301","","","1.54178","CuKα","","0.0317","0.0315","","","0.0816","0.0817","","","","","","1.04","","","","has coordinates","201749","2020-10-21","18:00:00",""
"1547130","13.366","0.003","15.726","0.003","11.497","0.002","90","","110.678","0.003","90","","2260.9","0.8","298","2","298.15","","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C24 H23 Br N2 O2 S -","- C24 H23 Br N2 O2 S -","- C96 H92 Br4 N8 O8 S4 -","4","1","","Yang, Meng-Nan; Yan, Dong-Mei; Zhao, Quan-Qing; Chen, Jia-Rong; Xiao, Wen-Jing","Synthesis of Dihydropyrazoles via Ligand-Free Pd-Catalyzed Alkene Aminoarylation of Unsaturated Hydrazones with Diaryliodonium Salts.","Organic letters","2017","19","19","5208","5211","10.1021/acs.orglett.7b02480","","","0.71073","MoKα","","0.0771","0.0492","","","0.1411","0.1603","","","","","","1.035","","","","has coordinates","202799","2020-10-21","18:00:00",""
"1547131","25.609","0.007","10.536","0.003","19.793","0.005","90","","130.31","","90","","4072.4","1.9","296","2","296.15","","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C23 H22 N2 O2 S -","- C23 H22 N2 O2 S -","- C184 H176 N16 O16 S8 -","8","1","","Yang, Meng-Nan; Yan, Dong-Mei; Zhao, Quan-Qing; Chen, Jia-Rong; Xiao, Wen-Jing","Synthesis of Dihydropyrazoles via Ligand-Free Pd-Catalyzed Alkene Aminoarylation of Unsaturated Hydrazones with Diaryliodonium Salts.","Organic letters","2017","19","19","5208","5211","10.1021/acs.orglett.7b02480","","","0.71073","MoKα","","0.076","0.054","","","0.1531","0.1693","","","","","","1.063","","","","has coordinates","202799","2020-10-21","18:00:00",""
"1547132","9.2443","0.0007","9.2239","0.0007","11.5114","0.0009","99.4294","0.0011","99.6133","0.0012","116.121","0.001","837.12","0.11","296","2","296","2","","","","","","","","5","P -1","-P 1","2","","","","- C17 H18 N2 O2 S -","- C17 H18 N2 O2 S -","- C34 H36 N4 O4 S2 -","2","1","","Yang, Meng-Nan; Yan, Dong-Mei; Zhao, Quan-Qing; Chen, Jia-Rong; Xiao, Wen-Jing","Synthesis of Dihydropyrazoles via Ligand-Free Pd-Catalyzed Alkene Aminoarylation of Unsaturated Hydrazones with Diaryliodonium Salts.","Organic letters","2017","19","19","5208","5211","10.1021/acs.orglett.7b02480","","","0.71073","MoKα","","0.0543","0.0457","","","0.1321","0.1553","","","","","","0.992","","","","has coordinates,has disorder","202799","2020-10-21","18:00:00",""
"1547133","6.3863","0.0003","12.2125","0.0006","12.3641","0.0003","100.937","0.003","101.585","0.004","103.902","0.004","887.81","0.07","173","0.1","173","0.1","","","","","","","","5","P -1","-P 1","2","","","","- C17 H20 Br N O4 -","- C17 H20 Br N O4 -","- C34 H40 Br2 N2 O8 -","2","1","","Jurberg, Igor D.; Davies, Huw M. L.","Rhodium- and Non-Metal-Catalyzed Approaches for the Conversion of Isoxazol-5-ones to 2,3-Dihydro-6H-1,3-oxazin-6-ones.","Organic letters","2017","19","19","5158","5161","10.1021/acs.orglett.7b02436","","x-ray","1.54184","CuKα","","0.0332","0.0315","","","0.0824","0.084","","","","","","1.098","","","","has coordinates","202816","2020-10-21","18:00:00",""
"1547134","27.042","0.003","10.5667","0.0009","28.273","0.003","90","","118.213","0.014","90","","7119.1","1.6","149","1","149","1","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","(Bis-(4,6-dichlorophenolato)-2-methylpyridine)amine)iron(II)-bis-pyridine","","- C35.61 H35.61 Cl4 Fe N4 O3.11 -","- C35.611 H35.611 Cl4 Fe N4 O3.111 -","- C284.888 H284.888 Cl32 Fe8 N32 O24.888 -","8","2","","Patra, Ranjan; Coin, Guillaume; Castro, Ludovic; Dubourdeaux, Patrick; Clémancey, Martin; Pécaut, Jacques; Lebrun, Colette; Maldivi, Pascale; Latour, Jean-Marc","Rational design of Fe catalysts for olefin aziridination through DFT-based mechanistic analysis","Catal. Sci. Technol.","2017","","","","","10.1039/C7CY01283G","","x-ray","0.71073","MoKα","","0.1563","0.0877","","","0.2009","0.224","","","","","","0.975","","","","has coordinates,has disorder","200802","2020-10-21","18:00:00",""
"1547135","12.0598","0.0007","16.2046","0.001","17.0517","0.001","71.592","0.005","86.228","0.005","78.678","0.005","3100.3","0.3","100","0.1","100","0.1","","","","","","","","5","P -1","-P 1","2","","","","- C30 H40 K N3 O7 -","- C30 H40 K N3 O7 -","- C120 H160 K4 N12 O28 -","4","2","","Mandal, Swadhin K.; Ahmed, Jasimuddin; P, Sreejyothi; Vijaykumar, Gonela; Jose, Anex; Raj, Manthan","New Face of Phenalenyl Based Radical in Transition Metal Free C-H Arylation of Heteroarenes at Room Temperature: Trapping the Radical Initiator via C-C σ Bond Formation","Chem. Sci.","2017","","","","","10.1039/C7SC02661G","","x-ray","0.71073","MoKα","","0.1451","0.0847","","","0.1832","0.219","","","","","","1.03","","","","has coordinates","200808","2020-10-21","18:00:00",""
"1547136","9.216","0.0012","10.4837","0.0015","14.3635","0.0019","81.176","0.004","78.995","0.004","73.107","0.004","1296.4","0.3","103","2","103","2","","","","","","","","6","P -1","-P 1","2","","","","- C52 H56 B2 Br2 Cl6 N4 -","- C52 H56 B2 Br2 Cl6 N4 -","- C52 H56 B2 Br2 Cl6 N4 -","1","0.5","","Su, Yuanting; Li, Yongxin; Ganguly, Rakesh; Kinjo, Rei","Crystalline Boron-linked Tetraaminoethylene Radical Cations","Chem. Sci.","2017","","","","","10.1039/C7SC03528D","","","0.71073","MoKα","","0.1048","0.05","","","0.0908","0.1057","","","","","","0.999","","","","has coordinates","200809","2020-10-21","18:00:00",""
"1547137","17.2104","0.0007","19.0002","0.0008","22.3578","0.001","90","","96.6","0.003","90","","7262.6","0.5","103","2","103","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C81 H60 B3 F22 N4 -","- C81 H60 B3 F22 N4 -","- C324 H240 B12 F88 N16 -","4","1","","Su, Yuanting; Li, Yongxin; Ganguly, Rakesh; Kinjo, Rei","Crystalline Boron-linked Tetraaminoethylene Radical Cations","Chem. Sci.","2017","","","","","10.1039/C7SC03528D","","","0.71073","MoKα","","0.1548","0.066","","","0.1526","0.2101","","","","","","1.007","","","","has coordinates","200809","2020-10-21","18:00:00",""
"1547138","16.2212","0.0012","17.6789","0.0012","15.934","0.0013","90","","109.755","0.004","90","","4300.5","0.6","103","2","103","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C50 H52 B2 F2 N4 -","- C50 H52 B2 F2 N4 -","- C200 H208 B8 F8 N16 -","4","0.5","","Su, Yuanting; Li, Yongxin; Ganguly, Rakesh; Kinjo, Rei","Crystalline Boron-linked Tetraaminoethylene Radical Cations","Chem. Sci.","2017","","","","","10.1039/C7SC03528D","","","0.71073","MoKα","","0.1094","0.0504","","","0.1073","0.1344","","","","","","1.004","","","","has coordinates","200809","2020-10-21","18:00:00",""
"1547139","15.662","0.003","17.724","0.003","16.037","0.003","90","","109.914","0.005","90","","4185.6","1.3","103","2","103","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C50 H54 B2 N4 -","- C50 H54 B2 N4 -","- C200 H216 B8 N16 -","4","0.5","","Su, Yuanting; Li, Yongxin; Ganguly, Rakesh; Kinjo, Rei","Crystalline Boron-linked Tetraaminoethylene Radical Cations","Chem. Sci.","2017","","","","","10.1039/C7SC03528D","","","0.71073","MoKα","","0.1922","0.0782","","","0.1357","0.1728","","","","","","1.006","","","","has coordinates","200809","2020-10-21","18:00:00",""
"1547140","17.0654","0.0002","18.7504","0.0002","22.9274","0.0003","90","","97.0523","0.0005","90","","7280.88","0.15","143","2","143","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C81 H62 B3 F20 N4 -","- C81 H62 B3 F20 N4 -","- C324 H248 B12 F80 N16 -","4","1","","Su, Yuanting; Li, Yongxin; Ganguly, Rakesh; Kinjo, Rei","Crystalline Boron-linked Tetraaminoethylene Radical Cations","Chem. Sci.","2017","","","","","10.1039/C7SC03528D","","","1.54178","CuKα","","0.058","0.0532","","","0.1588","0.1656","","","","","","1.085","","","","has coordinates","200809","2020-10-21","18:00:00",""
"1547141","21.6523","0.0007","12.031","0.0004","22.3972","0.0007","90","","117.882","0.0013","90","","5157.1","0.3","153","2","153","2","","","","","","","","8","C 1 c 1","C -2yc","9","","","","- C53 H59 B2 Cl4 F3 N4 O3 S -","- C52.999 H59 B2 Cl4 F2.997 N4 O2.997 S0.999 -","- C211.996 H236 B8 Cl16 F11.988 N16 O11.988 S3.996 -","4","1","","Su, Yuanting; Li, Yongxin; Ganguly, Rakesh; Kinjo, Rei","Crystalline Boron-linked Tetraaminoethylene Radical Cations","Chem. Sci.","2017","","","","","10.1039/C7SC03528D","","","0.71073","MoKα","","0.0959","0.0628","","","0.1553","0.1798","","","","","","1.019","","","","has coordinates,has disorder","200809","2020-10-21","18:00:00",""
"1547142","21.931","0.003","12.2382","0.0017","14.94","0.002","90","","108.564","0.004","90","","3801.2","0.9","103","2","103","2","","","","","","","","4","C 1 c 1","C -2yc","9","","","","- C44 H49 B N4 -","- C44 H49 B N4 -","- C176 H196 B4 N16 -","4","1","","Su, Yuanting; Li, Yongxin; Ganguly, Rakesh; Kinjo, Rei","Crystalline Boron-linked Tetraaminoethylene Radical Cations","Chem. Sci.","2017","","","","","10.1039/C7SC03528D","","","0.71073","MoKα","","0.1009","0.0601","","","0.1148","0.1323","","","","","","1.009","","","","has coordinates","200809","2020-10-21","18:00:00",""
"1547145","9.961","0.001","9.961","0.001","14.432","0.001","90","","90","","120","","1240.1","0.2","","","","","","","","","","","","4","P 63/m c m","-P 6c 2","193","K3GdSi2O7","","","- Gd2 K3 O7 Si -","- Gd K3 O7 Si2 -","- Gd6 K18 O42 Si12 -","6","0.25","","Nunotani, N.; Asakawa, Y.; Watanabe, M.; Imanaka, N.","Crystal structure and photoluminescent property of Eu3±doped K3GdSi2O7","Journal of Asian Ceramic Societies","2017","380","","5","377","","","","","","","","","","","","","","","","","","","","","","has coordinates","200825","2020-10-21","18:00:00",""
"1547146","4.7024","0.00002","4.7024","0.00002","3.03052","0.00001","90","","90","","90","","67.0126","0.0005","","","","","","","","","","","","5","P 42/m n m","-P 4n 2n","136","Ni0.05Co0.2Ti0.25Nb0.5O2","","","- Co0.2 Nb0.5 Ni0.05 O2 Ti0.25 -","- Co0.4 Nb Ni0.1 O4 Ti0.5 -","- Co0.4 Nb Ni0.1 O4 Ti0.5 -","1","0.0625","","Kumada, N.; Koike, N.; Nakanome, K.; Yanagida, S.; Takei, T.; Miura, A.; Magome, E.; Moriyoshi, C.; Kuroiwa, Y.","Synthesis of rutile-type solid solution Ni1-xCoxTi(Nb1-yTay)2O8 (0<=x<=1,0<=y<=1) and its optical property","Journal of Asian Ceramic Societies","2017","289","","5","284","","","","","","","","","","","","","","","","","","","","","","has coordinates","200826","2020-10-21","18:00:00",""
"1547147","4.70025","0.00002","4.70025","0.00002","3.02805","0.00002","90","","90","","90","","66.8967","0.0006","","","","","","","","","","","","5","P 42/m n m","-P 4n 2n","136","Ni0.1Co0.15Ti0.25Nb0.5O2","","","- Co0.15 Nb0.5 Ni0.1 O2 Ti0.25 -","- Co0.3 Nb Ni0.2 O4 Ti0.5 -","- Co0.3 Nb Ni0.2 O4 Ti0.5 -","1","0.0625","","Kumada, N.; Koike, N.; Nakanome, K.; Yanagida, S.; Takei, T.; Miura, A.; Magome, E.; Moriyoshi, C.; Kuroiwa, Y.","Synthesis of rutile-type solid solution Ni1-xCoxTi(Nb1-yTay)2O8 (0<=x<=1,0<=y<=1) and its optical property","Journal of Asian Ceramic Societies","2017","289","","5","284","","","","","","","","","","","","","","","","","","","","","","has coordinates","200827","2020-10-21","18:00:00",""
"1547148","4.69708","0.00002","4.69708","0.00002","3.02426","0.00002","90","","90","","90","","66.7229","0.0006","","","","","","","","","","","","5","P 42/m n m","-P 4n 2n","136","Ni0.2Co0.05Ti0.25Nb0.5O2","","","- Co0.05 Nb0.5 Ni0.2 O2 Ti0.25 -","- Co0.1 Nb Ni0.4 O4 Ti0.5 -","- Co0.1 Nb Ni0.4 O4 Ti0.5 -","1","0.0625","","Kumada, N.; Koike, N.; Nakanome, K.; Yanagida, S.; Takei, T.; Miura, A.; Magome, E.; Moriyoshi, C.; Kuroiwa, Y.","Synthesis of rutile-type solid solution Ni1-xCoxTi(Nb1-yTay)2O8 (0<=x<=1,0<=y<=1) and its optical property","Journal of Asian Ceramic Societies","2017","289","","5","284","","","","","","","","","","","","","","","","","","","","","","has coordinates","200828","2020-10-21","18:00:00",""
"1547149","4.69859","0.00002","4.69859","0.00002","3.02607","0.00001","90","","90","","90","","66.8058","0.0005","","","","","","","","","","","","5","P 42/m n m","-P 4n 2n","136","Ni0.15Co0.1Ti0.25Nb0.5O2","","","- Co0.1 Nb0.5 Ni0.15 O2 Ti0.25 -","- Co0.2 Nb Ni0.3 O4 Ti0.5 -","- Co0.2 Nb Ni0.3 O4 Ti0.5 -","1","0.0625","","Kumada, N.; Koike, N.; Nakanome, K.; Yanagida, S.; Takei, T.; Miura, A.; Magome, E.; Moriyoshi, C.; Kuroiwa, Y.","Synthesis of rutile-type solid solution Ni1-xCoxTi(Nb1-yTay)2O8 (0<=x<=1,0<=y<=1) and its optical property","Journal of Asian Ceramic Societies","2017","289","","5","284","","","","","","","","","","","","","","","","","","","","","","has coordinates","200829","2020-10-21","18:00:00",""
"1547150","4.69413","0.00002","4.69413","0.00002","3.02187","0.00001","90","","90","","90","","66.5865","0.0005","","","","","","","","","","","","4","P 42/m n m","-P 4n 2n","136","Ni0.25Ti0.25Nb0.5O2","","","- Nb0.5 Ni0.25 O2 Ti0.25 -","- Nb Ni0.5 O4 Ti0.5 -","- Nb Ni0.5 O4 Ti0.5 -","1","0.0625","","Kumada, N.; Koike, N.; Nakanome, K.; Yanagida, S.; Takei, T.; Miura, A.; Magome, E.; Moriyoshi, C.; Kuroiwa, Y.","Synthesis of rutile-type solid solution Ni1-xCoxTi(Nb1-yTay)2O8 (0<=x<=1,0<=y<=1) and its optical property","Journal of Asian Ceramic Societies","2017","289","","5","284","","","","","","","","","","","","","","","","","","","","","","has coordinates","200830","2020-10-21","18:00:00",""
"1547151","4.70411","0.00002","4.70411","0.00002","3.03242","0.00001","90","","90","","90","","67.1034","0.0005","","","","","","","","","","","","4","P 42/m n m","-P 4n 2n","136","Co0.25Ti0.25Nb0.5O2","","","- Co0.25 Nb O2 Ti0.25 -","- Co0.5 Nb O4 Ti0.5 -","- Co0.5 Nb O4 Ti0.5 -","1","0.0625","","Kumada, N.; Koike, N.; Nakanome, K.; Yanagida, S.; Takei, T.; Miura, A.; Magome, E.; Moriyoshi, C.; Kuroiwa, Y.","Synthesis of rutile-type solid solution Ni1-xCoxTi(Nb1-yTay)2O8 (0<=x<=1,0<=y<=1) and its optical property","Journal of Asian Ceramic Societies","2017","289","","5","284","","","","","","","","","","","","","","","","","","","","","","has coordinates","200831","2020-10-21","18:00:00",""
"1547153","4.7024","0.0002","4.7024","0.0002","9.1061","0.0004","90","","90","","90","","201.359","0.015","","","","","","","","","","","","5","P 42/m n m","-P 4n 2n","136","Ni0.05Co0.2Ti0.25Ta0.5O2","","","- Co0.2 Ni0.05 O2 Ta0.5 Ti0.25 -","- Co1.2 Ni0.3 O12 Ta3 Ti1.5 -","- Co1.2 Ni0.3 O12 Ta3 Ti1.5 -","1","0.0625","","Kumada, N.; Koike, N.; Nakanome, K.; Yanagida, S.; Takei, T.; Miura, A.; Magome, E.; Moriyoshi, C.; Kuroiwa, Y.","Synthesis of rutile-type solid solution Ni1-xCoxTi(Nb1-yTay)2O8 (0<=x<=1,0<=y<=1) and its optical property","Journal of Asian Ceramic Societies","2017","289","","5","284","","","","","","","","","","","","","","","","","","","","","","has coordinates","200837","2020-10-21","18:00:00",""
"1547154","4.7065","0.0002","4.7065","0.0002","9.1164","0.0004","90","","90","","90","","201.939","0.015","","","","","","","","","","","","4","P 42/m n m","-P 4n 2n","136","Co0.25Ti0.25Ta0.5O2","","","- Co0.25 O2 Ta0.5 Ti0.25 -","- Co1.5 O12 Ta3 Ti1.5 -","- Co1.5 O12 Ta3 Ti1.5 -","1","0.0625","","Kumada, N.; Koike, N.; Nakanome, K.; Yanagida, S.; Takei, T.; Miura, A.; Magome, E.; Moriyoshi, C.; Kuroiwa, Y.","Synthesis of rutile-type solid solution Ni1-xCoxTi(Nb1-yTay)2O8 (0<=x<=1,0<=y<=1) and its optical property","Journal of Asian Ceramic Societies","2017","289","","5","284","","","","","","","","","","","","","","","","","","","","","","has coordinates","200838","2020-10-21","18:00:00",""
"1547155","4.6998","0.0003","4.6998","0.0003","9.0986","0.0003","90","","90","","90","","200.971","0.019","","","","","","","","","","","","5","P 42/m n m","-P 4n 2n","136","Ni0.1Co0.15Ti0.25Ta0.5O2","","","- Co0.15 Ni0.1 O2 Ta0.5 Ti0.25 -","- Co0.9 Ni0.6 O12 Ta3 Ti1.5 -","- Co0.9 Ni0.6 O12 Ta3 Ti1.5 -","1","0.0625","","Kumada, N.; Koike, N.; Nakanome, K.; Yanagida, S.; Takei, T.; Miura, A.; Magome, E.; Moriyoshi, C.; Kuroiwa, Y.","Synthesis of rutile-type solid solution Ni1-xCoxTi(Nb1-yTay)2O8 (0<=x<=1,0<=y<=1) and its optical property","Journal of Asian Ceramic Societies","2017","289","","5","284","","","","","","","","","","","","","","","","","","","","","","has coordinates","200839","2020-10-21","18:00:00",""
"1547156","4.6989","0.0003","4.6989","0.0003","9.094","0.0004","90","","90","","90","","200.79","0.02","","","","","","","","","","","","5","P 42/m n m","-P 4n 2n","136","Ni0.15Co0.1Ti0.25Ta0.5O2","","","- Co0.1 Ni0.15 O2 Ta0.5 Ti0.25 -","- Co0.6 Ni0.9 O12 Ta3 Ti1.5 -","- Co0.6 Ni0.9 O12 Ta3 Ti1.5 -","1","0.0625","","Kumada, N.; Koike, N.; Nakanome, K.; Yanagida, S.; Takei, T.; Miura, A.; Magome, E.; Moriyoshi, C.; Kuroiwa, Y.","Synthesis of rutile-type solid solution Ni1-xCoxTi(Nb1-yTay)2O8 (0<=x<=1,0<=y<=1) and its optical property","Journal of Asian Ceramic Societies","2017","289","","5","284","","","","","","","","","","","","","","","","","","","","","","has coordinates","200840","2020-10-21","18:00:00",""
"1547157","4.6973","0.0002","4.6973","0.0002","9.0891","0.0004","90","","90","","90","","200.548","0.015","","","","","","","","","","","","5","P 42/m n m","-P 4n 2n","136","Ni0.2Co0.05Ti0.25Ta0.5O2","","","- Co0.05 Ni0.2 O2 Ta0.5 Ti0.25 -","- Co0.3 Ni1.2 O12 Ta3 Ti1.5 -","- Co0.3 Ni1.2 O12 Ta3 Ti1.5 -","1","0.0625","","Kumada, N.; Koike, N.; Nakanome, K.; Yanagida, S.; Takei, T.; Miura, A.; Magome, E.; Moriyoshi, C.; Kuroiwa, Y.","Synthesis of rutile-type solid solution Ni1-xCoxTi(Nb1-yTay)2O8 (0<=x<=1,0<=y<=1) and its optical property","Journal of Asian Ceramic Societies","2017","289","","5","284","","","","","","","","","","","","","","","","","","","","","","has coordinates","200841","2020-10-21","18:00:00",""
"1547158","4.6946","0.0002","4.6946","0.0002","9.0829","0.0003","90","","90","","90","","200.18","0.014","","","","","","","","","","","","4","P 42/m n m","-P 4n 2n","136","Ni0.25Ti0.25Ta0.5O2","","","- Ni0.25 O2 Ta0.5 Ti0.25 -","- Ni1.5 O12 Ta3 Ti1.5 -","- Ni1.5 O12 Ta3 Ti1.5 -","1","0.0625","","Kumada, N.; Koike, N.; Nakanome, K.; Yanagida, S.; Takei, T.; Miura, A.; Magome, E.; Moriyoshi, C.; Kuroiwa, Y.","Synthesis of rutile-type solid solution Ni1-xCoxTi(Nb1-yTay)2O8 (0<=x<=1,0<=y<=1) and its optical property","Journal of Asian Ceramic Societies","2017","289","","5","284","","","","","","","","","","","","","","","","","","","","","","has coordinates","200842","2020-10-21","18:00:00",""
"1547159","12.6396","0.0003","20.1301","0.0004","14.184","0.0003","90","","91.5813","0.0017","90","","3607.55","0.14","100","0.1","100","0.1","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C39 H40 N4 O10 -","- C39 H40 N4 O10 -","- C156 H160 N16 O40 -","4","2","","Zhang, Wei; Xu, Wei; Wang, Gui-Yang; Gong, Xue-Ying; Li, Ni-Ping; Wang, Lei; Ye, Wen-Cai","Gelsekoumidines A and B: Two Pairs of Atropisomeric Bisindole Alkaloids from the Roots of Gelsemium elegans.","Organic letters","2017","19","19","5194","5197","10.1021/acs.orglett.7b02463","","x-ray","1.54184","CuKα","","0.0821","0.0759","","","0.2056","0.2176","","","","","","1.022","","","","has coordinates","202776","2020-10-21","18:00:00",""
"1547160","15.703","0.003","24.65","0.004","14.556","0.003","90","","103.451","0.004","90","","5479.8","1.8","293","2","293","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C64 H60 O8 -","- C64 H60 O8 -","- C256 H240 O32 -","4","1","","Li, Youpeng; Hong, Youhua; Guo, Jing; Huang, Xiaobo; Wei, Haipeng; Zhou, Jun; Qiu, Tiancheng; Wu, Jishan; Zeng, Zebing","Bay- and Ortho-Octasubstituted Perylenes.","Organic letters","2017","19","19","5094","5097","10.1021/acs.orglett.7b02370","","","0.71073","MoKα","","0.2231","0.1207","","","0.3312","0.4037","","","","","","1.129","","","","has coordinates,has disorder","202780","2020-10-21","18:00:00",""
"1547161","14.514","0.004","10.865","0.003","44.055","0.011","90","","90","","90","","6947","3","100","2","100","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C40 H40 N4 O4 -","- C40 H40 N4 O4 -","- C320 H320 N32 O32 -","8","1","","Li, Youpeng; Hong, Youhua; Guo, Jing; Huang, Xiaobo; Wei, Haipeng; Zhou, Jun; Qiu, Tiancheng; Wu, Jishan; Zeng, Zebing","Bay- and Ortho-Octasubstituted Perylenes.","Organic letters","2017","19","19","5094","5097","10.1021/acs.orglett.7b02370","","","0.6525","","","0.0465","0.0427","","","0.1188","0.1257","","","","","","1.1","","","","has coordinates,has disorder","202780","2020-10-21","18:00:00",""
"1547162","12.6363","0.0013","23.284","0.002","25.125","0.003","90","","90","","90","","7392.4","1.3","293","2","293","2","","","","","","","","3","P b c a","-P 2ac 2ab","61","","","","- C40 H52 O8 -","- C40 H52 O8 -","- C320 H416 O64 -","8","1","","Li, Youpeng; Hong, Youhua; Guo, Jing; Huang, Xiaobo; Wei, Haipeng; Zhou, Jun; Qiu, Tiancheng; Wu, Jishan; Zeng, Zebing","Bay- and Ortho-Octasubstituted Perylenes.","Organic letters","2017","19","19","5094","5097","10.1021/acs.orglett.7b02370","","","0.71073","MoKα","","0.1343","0.0843","","","0.225","0.2622","","","","","","1.04","","","","has coordinates,has disorder","202780","2020-10-21","18:00:00",""
"1547163","7.6528","0.0002","12.1548","0.0002","21.7284","0.0005","90","","90","","90","","2021.14","0.08","297.5","0.6","297.5","0.6","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C21 H17 I N2 O3 -","- C21 H17 I N2 O3 -","- C84 H68 I4 N8 O12 -","4","1","","Liang, Lei; Xie, Ming-Sheng; Qin, Tao; Zhu, Man; Qu, Gui-Rong; Guo, Hai-Ming","Regio- and Enantioselective Synthesis of Chiral Pyrimidine Acyclic Nucleosides via Rhodium-Catalyzed Asymmetric Allylation of Pyrimidines.","Organic letters","2017","19","19","5212","5215","10.1021/acs.orglett.7b02482","","x-ray","1.54184","CuKα","","0.038","0.034","","","0.0822","0.0843","","","","","","1.091","","","","has coordinates","202783","2020-10-21","18:00:00",""
"1547164","65.689","0.008","4.6345","0.0005","21.077","0.002","90","","100.837","0.008","90","","6302.2","1.2","303","2","303","2","","","","","","","","5","C 1 2 1","C 2y","5","","","","- C21 H20 F3 N O9 -","- C21 H20 F3 N O9 -","- C252 H240 F36 N12 O108 -","12","3","","Probst, Nicolas; Grelier, Gwendal; Ghermani, NourEddine; Gandon, Vincent; Alami, Mouâd; Messaoudi, Samir","Intramolecular Pd-Catalyzed Anomeric C(sp(3))-H Activation of Glycosyl Carboxamides.","Organic letters","2017","19","19","5038","5041","10.1021/acs.orglett.7b02170","","","1.54178","CuKα","","0.2266","0.1107","","","0.2366","0.2972","","","","","","1.032","","","","has coordinates","202790","2020-10-21","18:00:00",""
"1547165","10.3304","0.0012","17.89","0.002","23.784","0.003","96.034","0.005","99.172","0.005","99.186","0.005","4245.1","0.9","291","2","291","","","","","","","","","5","P -1","-P 1","2","","","","- C25 H19.5 F3 N2 O1.25 -","- C25 H19.5 F3 N2 O1.25 -","- C200 H156 F24 N16 O10 -","8","4","","Gao, Yuelei; Hu, Zhongyan; Dong, Jinhuan; Liu, Jun; Xu, Xianxiu","Chemoselective Double Annulation of Two Different Isocyanides: Rapid Access to Trifluoromethylated Indole-Fused Heterocycles.","Organic letters","2017","19","19","5292","5295","10.1021/acs.orglett.7b02582","","","0.71073","MoKα","","0.1776","0.0729","","","0.1636","0.2102","","","","","","1.041","","","","has coordinates,has disorder","214153","2020-10-21","18:00:00",""
"1547166","24.3391","0.0006","8.299","0.0002","35.4906","0.0008","90","","90","","90","","7168.8","0.3","100","2","100","2","","","","","","","","5","P b c n","-P 2n 2ab","60","","","","- C46 H31 Cl4 N O2 -","- C46 H31 Cl4 N O2 -","- C368 H248 Cl32 N8 O16 -","8","1","","Shoyama, Kazutaka; Schmidt, David; Mahl, Magnus; Würthner, Frank","Electron-Poor Bowl-Shaped Polycyclic Aromatic Dicarboximides: Synthesis, Crystal Structures, and Optical and Redox Properties.","Organic letters","2017","19","19","5328","5331","10.1021/acs.orglett.7b02618","","","1.54178","CuKα","","0.073","0.0551","","","0.1198","0.1272","","","","","","1.099","","","","has coordinates","202794","2020-10-21","18:00:00",""
"1547167","13.408","0.0003","14.6595","0.0003","31.3393","0.0007","90","","98.0086","0.0012","90","","6099.8","0.2","100","2","100","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C82 H64 N2 O4 -","- C82 H64 N2 O4 -","- C328 H256 N8 O16 -","4","1","","Shoyama, Kazutaka; Schmidt, David; Mahl, Magnus; Würthner, Frank","Electron-Poor Bowl-Shaped Polycyclic Aromatic Dicarboximides: Synthesis, Crystal Structures, and Optical and Redox Properties.","Organic letters","2017","19","19","5328","5331","10.1021/acs.orglett.7b02618","","","1.54178","CuKα","","0.0653","0.0554","","","0.1481","0.1564","","","","","","1.034","","","","has coordinates,has disorder","202794","2020-10-21","18:00:00",""
"1547168","12.5138","0.0003","17.6266","0.0004","19.7375","0.0004","90","","117.443","0.001","90","","3863.7","0.15","190","2","190","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C21 H25 N O3 S -","- C21 H25 N O3 S -","- C168 H200 N8 O24 S8 -","8","2","","Kazak, Mihail; Priede, Martins; Shubin, Kirill; Bartrum, Hannah E.; Poisson, Jean-François; Suna, Edgars","Stereodivergent Synthesis of Pseudotabersonine Alkaloids.","Organic letters","2017","19","19","5356","5359","10.1021/acs.orglett.7b02635","","","0.71073","MoKα","","0.0946","0.0534","","","0.1133","0.1297","","","","","","1.009","","","","has coordinates","214153","2020-10-21","18:00:00",""
"1547169","7.4989","0.0002","11.9755","0.0003","20.6566","0.0006","90","","90","","90","","1855.03","0.09","173","2","173","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C19 H27 N O2 S -","- C19 H27 N O2 S -","- C76 H108 N4 O8 S4 -","4","1","","Kazak, Mihail; Priede, Martins; Shubin, Kirill; Bartrum, Hannah E.; Poisson, Jean-François; Suna, Edgars","Stereodivergent Synthesis of Pseudotabersonine Alkaloids.","Organic letters","2017","19","19","5356","5359","10.1021/acs.orglett.7b02635","","","0.71073","MoKα","","0.0974","0.0606","","","0.1079","0.123","","","","","","1.04","","","","has coordinates","202796","2020-10-21","18:00:00",""
"1547170","7.1561","0.0006","8.0619","0.0006","12.865","0.001","87.837","0.004","88.161","0.004","75.494","0.004","717.84","0.1","173","2","173","2","","","","","","","","2","P -1","-P 1","2","","","","- C42 H34 -","- C42 H34 -","- C42 H34 -","1","0.5","","Barker, Joshua E.; Frederickson, Conerd K.; Jones, Michael H.; Zakharov, Lev N.; Haley, Michael M.","Synthesis and Properties of Quinoidal Fluorenofluorenes.","Organic letters","2017","19","19","5312","5315","10.1021/acs.orglett.7b02605","","","1.54178","CuKα","","0.0677","0.0621","","","0.1733","0.1778","","","","","","1.065","","","","has coordinates","202802","2020-10-21","18:00:00",""
"1547171","10.2041","0.0008","10.8173","0.0008","11.4433","0.0009","76.534","0.001","80.93","0.001","81.651","0.001","1205.27","0.16","150","2","150.15","","","","","","","","","6","P -1","-P 1","2","","","","- C21 H11 N O11 Os3 S -","- C21 H11 N O11 Os3 S -","- C42 H22 N2 O22 Os6 S2 -","2","1","","Mahid Uddin, Kh.; Chowdhury, Md. Arshad H.; Kamal Hossain, Md.; Ghosh, Shishir; Tocher, Derek A.; Richmond, Michael G.; Kabir, Shariff E.","Alkyne activation and polyhedral reorganization in benzothiazolate-capped osmium clusters on reaction with diethyl acetylenedicarboxylate (DEAD) and ethyl propiolate","Dalton Trans.","2017","46","39","13597","13609","10.1039/C7DT02933K","","","0.71073","MoKα","","0.0282","0.026","","","0.0584","0.0593","","","","","","1.113","","","","has coordinates","282777","2023-04-20","11:56:50",""
"1547172","10.2449","0.0003","11.0705","0.0004","13.4872","0.0004","78.13","0.003","74.717","0.003","81.572","0.003","1437.09","0.08","150","1","150","1","","","","","","","","6","P -1","-P 1","2","","","","- C24 H15 N O13 Os3 S -","- C24 H15 N O13 Os3 S -","- C48 H30 N2 O26 Os6 S2 -","2","1","","Mahid Uddin, Kh.; Chowdhury, Md. Arshad H.; Kamal Hossain, Md.; Ghosh, Shishir; Tocher, Derek A.; Richmond, Michael G.; Kabir, Shariff E.","Alkyne activation and polyhedral reorganization in benzothiazolate-capped osmium clusters on reaction with diethyl acetylenedicarboxylate (DEAD) and ethyl propiolate","Dalton Trans.","2017","46","39","13597","13609","10.1039/C7DT02933K","","x-ray","0.71073","MoKα","","0.0381","0.0348","","","0.0825","0.0862","","","","","","1.049","","","","has coordinates","282777","2023-04-20","11:56:50",""
"1547173","10.0477","0.0016","16.538","0.003","17.657","0.003","75.769","0.002","84.515","0.002","84.498","0.002","2823","0.8","293","2","293","2","","","","","","","","6","P -1","-P 1","2","","","","- C24 H15 N O13 Os3 S -","- C24 H15 N O13 Os3 S -","- C96 H60 N4 O52 Os12 S4 -","4","2","","Mahid Uddin, Kh.; Chowdhury, Md. Arshad H.; Kamal Hossain, Md.; Ghosh, Shishir; Tocher, Derek A.; Richmond, Michael G.; Kabir, Shariff E.","Alkyne activation and polyhedral reorganization in benzothiazolate-capped osmium clusters on reaction with diethyl acetylenedicarboxylate (DEAD) and ethyl propiolate","Dalton Trans.","2017","46","39","13597","13609","10.1039/C7DT02933K","","","0.71073","MoKα","","0.0473","0.0403","","","0.1024","0.1067","","","","","","1.04","","","","has coordinates","282777","2023-04-20","11:56:50",""
"1547174","9.8419","0.0003","9.9715","0.0003","17.3201","0.0005","75.059","0.003","80.399","0.002","63.273","0.003","1464.29","0.09","150","1","150","1","","","","","","","","6","P -1","-P 1","2","","","","- C25 H17 N O13 Os3 S -","- C25 H17 N O13 Os3 S -","- C50 H34 N2 O26 Os6 S2 -","2","1","","Mahid Uddin, Kh.; Chowdhury, Md. Arshad H.; Kamal Hossain, Md.; Ghosh, Shishir; Tocher, Derek A.; Richmond, Michael G.; Kabir, Shariff E.","Alkyne activation and polyhedral reorganization in benzothiazolate-capped osmium clusters on reaction with diethyl acetylenedicarboxylate (DEAD) and ethyl propiolate","Dalton Trans.","2017","46","39","13597","13609","10.1039/C7DT02933K","","x-ray","0.71073","MoKα","","0.0395","0.0354","","","0.0769","0.0808","","","","","","1.054","","","","has coordinates,has disorder","282777","2023-04-20","11:56:50",""
"1547175","10.7247","0.0011","7.7401","0.0008","14.5763","0.0016","90","","102.544","0.002","90","","1181.1","0.2","185","2","185","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C14 H14 O6 -","- C14 H14 O6 -","- C56 H56 O24 -","4","1","","Hu, Xiaofan; Yan, Jingling; Wang, Yongxia; Mu, Hongliang; wang, zikun; Cheng, Haiyang; Zhao, Fengyu; Wang, Zhen","Colorless polyimides derived from 2R, 5R, 7S, 10S-naphthanetetracarboxylic dianhydride","Polym. Chem.","2017","","","","","10.1039/C7PY01048F","","","0.71073","MoKα","","0.1136","0.0612","","","0.1661","0.2413","","","","","","1.024","","","","has coordinates","200881","2020-10-21","18:00:00",""
"1547176","14.4914","0.0003","14.4914","0.0003","14.4935","0.0005","90","","90","","90","","3043.64","0.14","100","","100","","","","","","","","","5","P 43","P 4cw","78","","","","- C17 H13 Br N2 O2 -","- C17 H13 Br N2 O2 -","- C136 H104 Br8 N16 O16 -","8","2","","Meninno, Sara; Roselli, Angelo; Capobianco, Amedeo; Overgaard, Jacob; Lattanzi, Alessandra","Diastereodivergent and Enantioselective Access to Spiroepoxides via Organocatalytic Epoxidation of Unsaturated Pyrazolones.","Organic letters","2017","19","19","5030","5033","10.1021/acs.orglett.7b02189","","x-ray","0.71073","MoKα","","0.0841","0.0553","","","0.0889","0.1055","","","","","","0.669","","","","has coordinates","202773","2020-10-21","18:00:00",""
"1547177","8.3966","0.0002","10.4923","0.0003","16.3473","0.0004","90","","90","","90","","1440.19","0.06","100","1","100","1","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C17 H13 Cl N2 O2 -","- C17 H13 Cl N2 O2 -","- C68 H52 Cl4 N8 O8 -","4","1","","Meninno, Sara; Roselli, Angelo; Capobianco, Amedeo; Overgaard, Jacob; Lattanzi, Alessandra","Diastereodivergent and Enantioselective Access to Spiroepoxides via Organocatalytic Epoxidation of Unsaturated Pyrazolones.","Organic letters","2017","19","19","5030","5033","10.1021/acs.orglett.7b02189","","x-ray","0.71073","MoKα","","0.0401","0.0322","","","0.0694","0.074","","","","","","1.045","","","","has coordinates","202773","2020-10-21","18:00:00",""
"1547178","9.9333","0.0002","32.2929","0.0006","28.6843","0.0006","90","","96.813","0.002","90","","9136.2","0.3","291","2","291","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C77 H15 N O2 S3 -","- C77 H15 N O2 S3 -","- C616 H120 N8 O16 S24 -","8","2","","Jiang, Sheng-Peng; Zhang, Mengmeng; Wang, Cheng-Yu; Yang, Shangfeng; Wang, Guan-Wu","Cascade Radical Reaction of N-Sulfonyl-2-allylanilines with [60]Fullerene: Synthesis and Functionalization of (2-Indolinyl)methylated Hydrofullerenes.","Organic letters","2017","19","19","5110","5113","10.1021/acs.orglett.7b02343","","","1.54184","CuKα","","0.088","0.0714","","","0.1767","0.1869","","","","","","1.065","","","","has coordinates","202788","2020-10-21","18:00:00",""
"1547179","14.4154","0.0006","6.024","0.0002","15.0935","0.0006","90","","94.616","0.007","90","","1306.44","0.09","123","2","123","2","","","","","","","","4","P 1 21/a 1","-P 2yab","14","MePyNaph","3-methyl-N-(naphthalen-1-yl)picolinamide","","- C17 H14 N2 O -","- C17 H14 N2 O -","- C68 H56 N8 O4 -","4","1","","Sato, Takenari; Yoshida, Takumi; Al Mamari, Hamad H.; Ilies, Laurean; Nakamura, Eiichi","Manganese-Catalyzed Directed Methylation of C(sp(2))-H Bonds at 25 °C with High Catalytic Turnover.","Organic letters","2017","19","19","5458","5461","10.1021/acs.orglett.7b02778","","","1.54187","CuKα","","0.0846","0.0517","","","0.1215","0.137","","","","","","1.04","","","","has coordinates","202792","2020-10-21","18:00:00",""
"1547193","9.78469","0.00007","9.17234","0.00004","10.79906","0.00007","90","","108.096","0.0008","90","","921.262","0.011","99.98","0.13","99.98","0.13","","","","","","","","2","P 1 21 1","P 2yb","4","","","","- C26 H20 -","- C26 H20 -","- C52 H40 -","2","1","","Li, Dan; Hu, Rongrong; Guo, Dong; Zang, Qiguang; Li, Jianhui; Wang, Yuekui; Zheng, Yan-Song; Tang, Ben Zhong; Zhang, Hui","Diagnostic Absolute Configuration Determination of Tetraphenylethene Core-Based Chiral Aggregation-Induced Emission Compounds: Particular Fingerprint Bands in Comprehensive Chiroptical Spectroscopy","The Journal of Physical Chemistry C","2017","121","38","20947","","10.1021/acs.jpcc.7b06679","","x-ray","1.54184","CuKα","","0.0283","0.0281","","","0.0718","0.0719","","","","","","1.086","","","","has coordinates","201750","2020-10-21","18:00:00",""
"1547194","11.177","0.003","8.834","0.003","12.887","0.004","90","","93.357","0.005","90","","1270.2","0.7","298","","298","","","","","","","","","2","I 1 2 1","I 2y","5","","","","- C34 H20 -","- C34 H20 -","- C68 H40 -","2","0.5","","Li, Dan; Hu, Rongrong; Guo, Dong; Zang, Qiguang; Li, Jianhui; Wang, Yuekui; Zheng, Yan-Song; Tang, Ben Zhong; Zhang, Hui","Diagnostic Absolute Configuration Determination of Tetraphenylethene Core-Based Chiral Aggregation-Induced Emission Compounds: Particular Fingerprint Bands in Comprehensive Chiroptical Spectroscopy","The Journal of Physical Chemistry C","2017","121","38","20947","","10.1021/acs.jpcc.7b06679","","","0.71073","MoKα","","0.1455","0.049","","","0.0586","0.0744","","","","","","1.004","","","","has coordinates","201750","2020-10-21","18:00:00",""
"1547195","11.3435","0.0013","12.4428","0.0013","18.028","0.002","90","","90","","90","","2544.6","0.5","100","","100","","","","","","","","","3","P b c a","-P 2ac 2ab","61","","","","- C14 H16 O4 -","- C14 H16 O4 -","- C112 H128 O32 -","8","1","","Smith, Brandon R.; Njardarson, Jon T.","Double-Diels-Alder Approach to Maoecrystal V. Unexpected C-C Bond-Forming Fragmentations of the [2.2.2]-Bicyclic Core.","Organic letters","2017","19","19","5316","5319","10.1021/acs.orglett.7b02606","","x-ray","0.71073","MoKα","","0.0752","0.0522","","","0.1295","0.1429","","","","","","1.045","","","","has coordinates","202775","2020-10-21","18:00:00",""
"1547196","12.3331","0.0006","12.5411","0.0005","12.506","0.0006","90","","117.489","0.001","90","","1715.93","0.14","100","","100","","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","","","- C20 H22 O5 -","- C20 H22 O5 -","- C80 H88 O20 -","4","1","","Smith, Brandon R.; Njardarson, Jon T.","Double-Diels-Alder Approach to Maoecrystal V. Unexpected C-C Bond-Forming Fragmentations of the [2.2.2]-Bicyclic Core.","Organic letters","2017","19","19","5316","5319","10.1021/acs.orglett.7b02606","","x-ray","0.71073","MoKα","","0.0718","0.0558","","","0.1633","0.1796","","","","","","1.049","","","","has coordinates","202775","2020-10-21","18:00:00",""
"1547197","6.105","0.0012","17.278","0.003","9.698","0.002","90","","97.095","0.004","90","","1015.1","0.3","293","2","293","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C22 H22 N2 O6 -","- C22 H22 N2 O6 -","- C44 H44 N4 O12 -","2","1","","Lin, Zhichen; Hu, Zhongyan; Zhang, Xin; Dong, Jinhuan; Liu, Jian-Biao; Chen, De-Zhan; Xu, Xianxiu","Tandem Synthesis of Pyrrolo[2,3-b]quinolones via Cadogen-Type Reaction.","Organic letters","2017","19","19","5284","5287","10.1021/acs.orglett.7b02558","","","0.71069","MoKα","","0.0838","0.0494","","","0.1054","0.1317","","","","","","1.022","","","","has coordinates","211178","2020-10-21","18:00:00",""
"1547198","11.0775","0.0003","16.52","0.001","37.7334","0.0013","90","","90","","90","","6905.2","0.5","99.98","0.13","99.98","0.13","","","","","","","","4","P b c 21","P 2c -2b","29","","","","- C21 H21 N2 O1.5 -","- C21 H21 N2 O1.5 -","- C336 H336 N32 O24 -","16","4","","Roy, Biswajit; Halder, Sudipta; Guha, Abhishek; Bandyopadhyay, Subhajit","Highly Selective Sub-ppm Naked-Eye Detection of Hydrazine with Conjugated-1,3-Diketo Probes: Imaging Hydrazine in Drosophila Larvae.","Analytical chemistry","2017","89","19","10625","10636","10.1021/acs.analchem.7b03503","","x-ray","0.71073","MoKα","","0.0928","0.0849","","","0.184","0.1898","","","","","","1.048","","","","has coordinates","214153","2020-10-21","18:00:00",""
"1547199","14.1242","0.0011","7.793","0.0005","14.2055","0.001","90","","100.715","0.008","90","","1536.34","0.19","99.99","0.1","99.99","0.1","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","","","- C22 H16 O2 -","- C22 H16 O2 -","- C88 H64 O8 -","4","1","","Roy, Biswajit; Halder, Sudipta; Guha, Abhishek; Bandyopadhyay, Subhajit","Highly Selective Sub-ppm Naked-Eye Detection of Hydrazine with Conjugated-1,3-Diketo Probes: Imaging Hydrazine in Drosophila Larvae.","Analytical chemistry","2017","89","19","10625","10636","10.1021/acs.analchem.7b03503","","x-ray","0.71073","MoKα","","0.058","0.0482","","","0.1178","0.1258","","","","","","1.081","","","","has coordinates","201744","2020-10-21","18:00:00",""
"1547200","17.5147","0.0011","33.238","0.002","5.0184","0.0005","90","","90","","90","","2921.5","0.4","100","0.1","100","0.1","","","","","","","","3","P n 21 a","P -2ac -2n","33","","","","- C20 H16 O2 -","- C20 H16 O2 -","- C160 H128 O16 -","8","2","","Roy, Biswajit; Halder, Sudipta; Guha, Abhishek; Bandyopadhyay, Subhajit","Highly Selective Sub-ppm Naked-Eye Detection of Hydrazine with Conjugated-1,3-Diketo Probes: Imaging Hydrazine in Drosophila Larvae.","Analytical chemistry","2017","89","19","10625","10636","10.1021/acs.analchem.7b03503","","x-ray","0.71073","MoKα","","0.0575","0.0499","","","0.1159","0.1217","","","","","","1.113","","","","has coordinates","214153","2020-10-21","18:00:00",""
"1547210","7.4432","0.0015","9.993","0.002","16.648","0.003","77.55","0.02","87.54","0.03","87.09","0.03","1206.9","0.4","180","2","180","2","","","","","","","","3","P -1","-P 1","2","Triamterene","6-phenylpteridine-2,4,7-triamine","","- C12 H11 N7 -","- C12 H11 N7 -","- C48 H44 N28 -","4","2","","Rehman, A.; Delori, A.; Hughes, D. S.; Jones, W.","Using crystallography, topology and graph set analysis for the description of the hydrogen bond network of triamterene: A rational approach to solid form selection","Chemistry Central Journal","2017","63","","11","","10.1186/s13065-017-0293-1","","","1.54178","CuKα","","0.0457","0.036","","","0.0917","0.0984","","","","","","1.032","","","","has coordinates","200975","2020-10-21","18:00:00",""
"1547216","15.6924","0.0002","16.072","0.0002","11.3076","0.0001","90","","121.385","0.001","90","","2434.6","0.05","150","2","150","2","","","","","","","","6","C 1 c 1","C -2yc","9","","","","- C16 H24 Cl2 Co N8 O8 -","- C16 H24 Cl2 Co N8 O8 -","- C64 H96 Cl8 Co4 N32 O32 -","4","1","","Usov, Pavel M.; Simonov, Alexandr N.; Bond, Alan M.; Murphy, Michael J.; D'Alessandro, Deanna M","Untangling Complex Redox Chemistry in Zeolitic Imidazolate Frameworks Using Fourier Transformed Alternating Current Voltammetry.","Analytical chemistry","2017","89","19","10181","10187","10.1021/acs.analchem.7b01224","","","1.54184","CuKα","","0.0363","0.0354","","","0.0883","0.0889","","","","","","1.055","","","","has coordinates,has disorder","201743","2020-10-21","18:00:00",""
"1547217","15.6929","0.0003","16.0879","0.0004","11.3047","0.0002","90","","121.482","0.003","90","","2433.95","0.12","150","2","150","2","","","","","","","","6","C 1 c 1","C -2yc","9","","","","- C16 H24 Cl2 N8 O8 Zn -","- C16 H24 Cl2 N8 O8 Zn -","- C64 H96 Cl8 N32 O32 Zn4 -","4","1","","Usov, Pavel M.; Simonov, Alexandr N.; Bond, Alan M.; Murphy, Michael J.; D'Alessandro, Deanna M","Untangling Complex Redox Chemistry in Zeolitic Imidazolate Frameworks Using Fourier Transformed Alternating Current Voltammetry.","Analytical chemistry","2017","89","19","10181","10187","10.1021/acs.analchem.7b01224","","","1.54178","CuKα","","0.0547","0.0544","","","0.1295","0.1298","","","","","","1.085","","","","has coordinates,has disorder","201743","2020-10-21","18:00:00",""
"1547218","10.1714","0.0015","11.335","0.003","12.394","0.002","111.18","0.03","101.11","0.03","109.8","0.03","1170","0.7","100","2","100","2","","","","","","","","6","P -1","-P 1","2","","","","- C6 H25 I5 N4 O Pb -","- C6 H25 I5 N4 O Pb -","- C12 H50 I10 N8 O2 Pb2 -","2","1","","Petrov, Andrey A.; Sokolova, Iuliia P.; Belich, Nikolai A.; Peters, Georgy S.; Dorovatovskii, Pavel V.; Zubavichus, Yan V.; Khrustalev, Victor N.; Petrov, Andrey V.; Grätzel, Michael; Goodilin, Eugene A.; Tarasov, Alexey B.","Crystal Structure of DMF-Intermediate Phases Uncovers the Link Between CH3NH3PbI3 Morphology and Precursor Stoichiometry","The Journal of Physical Chemistry C","2017","121","38","20739","","10.1021/acs.jpcc.7b08468","","","0.9699","synchrotron","","0.1351","0.1219","","","0.2715","0.2847","","","","","","1.057","","","","has coordinates","201751","2020-10-21","18:00:00",""
"1547219","17.165","0.004","21.955","0.004","4.5549","0.0009","90","","90","","90","","1716.5","0.6","100","2","100","2","","","","","","","","6","P n n m","-P 2 2n","58","","","","- C8 H26 I8 N4 O2 Pb3 -","- C8 H26 I8 N4 O2 Pb3 -","- C16 H52 I16 N8 O4 Pb6 -","2","0.25","","Petrov, Andrey A.; Sokolova, Iuliia P.; Belich, Nikolai A.; Peters, Georgy S.; Dorovatovskii, Pavel V.; Zubavichus, Yan V.; Khrustalev, Victor N.; Petrov, Andrey V.; Grätzel, Michael; Goodilin, Eugene A.; Tarasov, Alexey B.","Crystal Structure of DMF-Intermediate Phases Uncovers the Link Between CH3NH3PbI3 Morphology and Precursor Stoichiometry","The Journal of Physical Chemistry C","2017","121","38","20739","","10.1021/acs.jpcc.7b08468","","","0.9699","synchrotron","","0.1193","0.097","","","0.1908","0.2082","","","","","","0.914","","","","has coordinates","201751","2020-10-21","18:00:00",""
"1547220","4.5647","0.0009","25.446","0.005","12.119","0.002","90","","96.75","0.03","90","","1397.9","0.5","100","2","100","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C4 H13 I3 N2 O Pb -","- C4 H13 I3 N2 O Pb -","- C16 H52 I12 N8 O4 Pb4 -","4","1","","Petrov, Andrey A.; Sokolova, Iuliia P.; Belich, Nikolai A.; Peters, Georgy S.; Dorovatovskii, Pavel V.; Zubavichus, Yan V.; Khrustalev, Victor N.; Petrov, Andrey V.; Grätzel, Michael; Goodilin, Eugene A.; Tarasov, Alexey B.","Crystal Structure of DMF-Intermediate Phases Uncovers the Link Between CH3NH3PbI3 Morphology and Precursor Stoichiometry","The Journal of Physical Chemistry C","2017","121","38","20739","","10.1021/acs.jpcc.7b08468","","","0.9699","synchrotron","","0.1247","0.1036","","","0.226","0.2459","","","","","","1.033","","","","has coordinates","201751","2020-10-21","18:00:00",""
"1547221","7.1541","0.0004","12.2169","0.0007","12.5923","0.0007","64.384","0.002","84.733","0.003","89.351","0.003","987.72","0.1","100","2","100","2","","","","","","","","3","P -1","-P 1","2","","","","- C21 H24 O10 -","- C21 H24 O10 -","- C42 H48 O20 -","2","1","","Wang, Rurun; Seyedsayamdost, Mohammad R.","Roseochelin B, an Algaecidal Natural Product Synthesized by the Roseobacter Phaeobacter inhibens in Response to Algal Sinapic Acid.","Organic letters","2017","19","19","5138","5141","10.1021/acs.orglett.7b02424","","","1.54178","CuKα","","0.043","0.0354","","","0.0974","0.1104","","","","","","1.104","","","","has coordinates","202806","2020-10-21","18:00:00",""
"1547222","8.4319","0.0003","11.7976","0.0004","13.0028","0.0005","89.9418","0.0014","106.386","0.0012","106.877","0.0013","1182.87","0.07","100","2","100","2","","","","","","","","4","P -1","-P 1","2","","","","- C22 H24 O9 S -","- C22 H24 O9 S -","- C44 H48 O18 S2 -","2","1","","Wang, Rurun; Seyedsayamdost, Mohammad R.","Roseochelin B, an Algaecidal Natural Product Synthesized by the Roseobacter Phaeobacter inhibens in Response to Algal Sinapic Acid.","Organic letters","2017","19","19","5138","5141","10.1021/acs.orglett.7b02424","","","1.54178","CuKα","","0.0379","0.036","","","0.0964","0.0983","","","","","","1.04","","","","has coordinates","202806","2020-10-21","18:00:00",""
"1547223","13.4005","0.0007","9.5236","0.0007","14.6548","0.0007","90","","105.033","0.005","90","","1806.25","0.19","293","2","293","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C22 H20 F N O -","- C22 H20 F N O -","- C88 H80 F4 N4 O4 -","4","1","","Zheng, Lewei; Gao, Fei; Yang, Chao; Gao, Guo-Lin; Zhao, Yating; Gao, Yuan; Xia, Wujiong","Visible-Light-Mediated Anti-Regioselective Nitrone 1,3-Dipolar Cycloaddition Reaction and Synthesis of Bisindolylmethanes.","Organic letters","2017","19","19","5086","5089","10.1021/acs.orglett.7b02251","","x-ray","0.71073","MoKα","","0.1272","0.0595","","","0.1137","0.1463","","","","","","1.024","","","","has coordinates","202807","2020-10-21","18:00:00",""
"1547224","8.4694","0.0007","9.9145","0.0008","11.0455","0.0008","104.21","0.007","93.496","0.006","100.126","0.007","879.82","0.13","293","2","293","2","","","","","","","","4","P -1","-P 1","2","","","","- C22 H21 N O -","- C22 H21 N O -","- C44 H42 N2 O2 -","2","1","","Zheng, Lewei; Gao, Fei; Yang, Chao; Gao, Guo-Lin; Zhao, Yating; Gao, Yuan; Xia, Wujiong","Visible-Light-Mediated Anti-Regioselective Nitrone 1,3-Dipolar Cycloaddition Reaction and Synthesis of Bisindolylmethanes.","Organic letters","2017","19","19","5086","5089","10.1021/acs.orglett.7b02251","","x-ray","0.71073","MoKα","","0.0743","0.0495","","","0.113","0.13","","","","","","1.032","","","","has coordinates","202807","2020-10-21","18:00:00",""
"1547225","13.668","0.005","12.191","0.004","11.563","0.004","90","","112.665","0.006","90","","1777.9","1.1","296","2","296","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C23 H19 N O -","- C23 H19 N O -","- C92 H76 N4 O4 -","4","1","","Hu, Yue; Huang, Hanmin","Highly Selective Construction of Medium-Sized Lactams by Palladium-Catalyzed Intramolecular Hydroaminocarbonylation of Aminoalkynes.","Organic letters","2017","19","19","5070","5073","10.1021/acs.orglett.7b02284","","","0.71073","MoKα","","0.0742","0.044","","","0.1198","0.1452","","","","","","1.009","","","","has coordinates","202813","2020-10-21","18:00:00",""
"1547226","9.3245","0.0005","19.8436","0.001","9.8852","0.0004","90","","97.067","0.005","90","","1815.18","0.15","291.24","0.12","291.24","0.12","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C24 H21 N O -","- C24 H21 N O -","- C96 H84 N4 O4 -","4","1","","Hu, Yue; Huang, Hanmin","Highly Selective Construction of Medium-Sized Lactams by Palladium-Catalyzed Intramolecular Hydroaminocarbonylation of Aminoalkynes.","Organic letters","2017","19","19","5070","5073","10.1021/acs.orglett.7b02284","","","0.71073","MoKα","","0.0929","0.0603","","","0.1279","0.1465","","","","","","1.073","","","","has coordinates","202813","2020-10-21","18:00:00",""
"1547227","9.4551","0.0014","11.3229","0.0017","18.946","0.003","90","","97.519","0.002","90","","2010.9","0.5","296","2","296","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C27 H21 N O -","- C27 H21 N O -","- C108 H84 N4 O4 -","4","1","","Hu, Yue; Huang, Hanmin","Highly Selective Construction of Medium-Sized Lactams by Palladium-Catalyzed Intramolecular Hydroaminocarbonylation of Aminoalkynes.","Organic letters","2017","19","19","5070","5073","10.1021/acs.orglett.7b02284","","","0.71073","MoKα","","0.0599","0.0406","","","0.1135","0.1304","","","","","","1.001","","","","has coordinates","202813","2020-10-21","18:00:00",""
"1547228","14.8","0.004","12.024","0.004","11.523","0.003","90","","112.388","0.006","90","","1896","1","296","2","296","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C23 H18 Cl N O -","- C23 H18 Cl N O -","- C92 H72 Cl4 N4 O4 -","4","1","","Hu, Yue; Huang, Hanmin","Highly Selective Construction of Medium-Sized Lactams by Palladium-Catalyzed Intramolecular Hydroaminocarbonylation of Aminoalkynes.","Organic letters","2017","19","19","5070","5073","10.1021/acs.orglett.7b02284","","","0.71073","MoKα","","0.0954","0.0468","","","0.1115","0.1353","","","","","","1.002","","","","has coordinates","202813","2020-10-21","18:00:00",""
"1547229","17.5173","0.0018","11.7477","0.0012","17.1922","0.0018","90","","90","","90","","3537.9","0.6","296","2","296","2","","","","","","","","5","I b a 2","I 2 -2c","45","","","","- C23 H18 F N O -","- C23 H18 F N O -","- C184 H144 F8 N8 O8 -","8","1","","Hu, Yue; Huang, Hanmin","Highly Selective Construction of Medium-Sized Lactams by Palladium-Catalyzed Intramolecular Hydroaminocarbonylation of Aminoalkynes.","Organic letters","2017","19","19","5070","5073","10.1021/acs.orglett.7b02284","","","0.71073","MoKα","","0.0541","0.0395","","","0.0983","0.1079","","","","","","1.002","","","","has coordinates","202813","2020-10-21","18:00:00",""
"1547230","8.4979","0.0012","9.606","0.0013","9.7613","0.0013","90.716","0.002","105.714","0.002","100.679","0.002","752.1","0.18","296","2","296","2","","","","","","","","4","P 1","P 1","1","","","","- C19 H19 N O -","- C19 H19 N O -","- C38 H38 N2 O2 -","2","2","","Hu, Yue; Huang, Hanmin","Highly Selective Construction of Medium-Sized Lactams by Palladium-Catalyzed Intramolecular Hydroaminocarbonylation of Aminoalkynes.","Organic letters","2017","19","19","5070","5073","10.1021/acs.orglett.7b02284","","","0.71073","MoKα","","0.0329","0.0312","","","0.0845","0.0873","","","","","","1.001","","","","has coordinates","202813","2020-10-21","18:00:00",""
"1547231","25.773","0.005","12.89","0.003","11.497","0.002","90","","91.868","0.004","90","","3817.4","1.3","296","2","296","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C24 H21 N O2 -","- C24 H21 N O2 -","- C192 H168 N8 O16 -","8","1","","Hu, Yue; Huang, Hanmin","Highly Selective Construction of Medium-Sized Lactams by Palladium-Catalyzed Intramolecular Hydroaminocarbonylation of Aminoalkynes.","Organic letters","2017","19","19","5070","5073","10.1021/acs.orglett.7b02284","","","0.71073","MoKα","","0.0624","0.0412","","","0.1176","0.139","","","","","","1.003","","","","has coordinates","202813","2020-10-21","18:00:00",""
"1547232","13.1123","0.0013","20.584","0.0016","11.26","0.0009","90","","99.391","0.009","90","","2998.4","0.5","100","0.1","100","0.1","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C36 H40 N4 -","- C36 H40 N4 -","- C144 H160 N16 -","4","1","","Cai, Yuanjing; Gui, Chen; Samedov, Kerim; Su, Huifang; Gu, Xinggui; Li, Shiwu; Luo, Wenwen; Sung, Herman H-Y.; Lam, Jacky Wing Yip; Kwok, Ryan T. K.; Williams, Ian Duncan; Qin, Anjun; Tang, Ben Zhong","An Acidic pH Independent Piperazine-TPE AIEgen as a Unique Bioprobe for Lysosome Tracing","Chem. Sci.","2017","","","","","10.1039/C7SC03515B","","x-ray","0.71073","MoKα","","0.1569","0.0679","","","0.099","0.1222","","","","","","1","","","","has coordinates","201004","2020-10-21","18:00:00",""
"1547233","19.604","0.004","28.079","0.006","32.67","0.007","90","","94.47","0.03","90","","17929","7","153","2","153","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C60 H39 N9 O15 Zn3 -","- C60 H39 N9 O15 Zn3 -","- C480 H312 N72 O120 Zn24 -","8","1","","Hou, Hongwei; Yu, Cai-Xia; Shao, Chao Zhi","A functionalized metal-organic framework decorated with O− groups showing excellent performance for lead(II) removal from aqueous solution","Chem. Sci.","2017","","","","","10.1039/C7SC03308G","","","0.71073","MoKα","","0.0847","0.0623","","","0.1772","0.1871","","","","","","1.093","","","","has coordinates,has disorder","201005","2020-10-21","18:00:00",""
"1547234","17.843","0.002","22.6128","0.0017","23.019","0.002","90","","104.466","0.01","90","","8993.3","1.5","293","","293","","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C23 H21 F3 N2 O S -","- C23 H21 F3 N2 O S -","- C368 H336 F48 N32 O16 S16 -","16","4","","Zhao, Qun; Poisson, Thomas; Pannecoucke, Xavier; Bouillon, Jean-Philippe; Besset, Tatiana","Pd-Catalyzed Diastereoselective Trifluoromethylthiolation of Functionalized Acrylamides.","Organic letters","2017","19","19","5106","5109","10.1021/acs.orglett.7b02384","","","0.71069","MoKα","","0.1823","0.0811","","0.159","0.0896","0.0896","","","","","","1.1344","","","","has coordinates","214153","2020-10-21","18:00:00",""
"1547235","8.0887","0.0006","6.4489","0.0005","22.5011","0.0017","90","","93.799","0.001","90","","1171.15","0.15","103","","103","","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C15 H12 O3 -","- C15 H12 O3 -","- C60 H48 O12 -","4","1","","Ogiwara, Yohei; Sato, Kazuya; Sakai, Norio","Palladium-Catalyzed Cyclization of Alkynoic Acids To Form Vinyl Dioxanones Bearing a Quaternary Allylic Carbon.","Organic letters","2017","19","19","5296","5299","10.1021/acs.orglett.7b02572","","","0.71073","MoKα","","0.0444","0.0425","","","0.1119","0.1136","","","","","","1.086","","","","has coordinates","202781","2020-10-21","18:00:00",""
"1547236","13.6337","0.0007","14.573","0.0007","17.0961","0.0009","90","","90","","90","","3396.7","0.3","173","2","173","2","","","","","","","","7","P b c a","-P 2ac 2ab","61","","","","- C18 H18 Cl Co F N O2 -","- C18 H18 Cl Co F N O2 -","- C144 H144 Cl8 Co8 F8 N8 O16 -","8","1","","Yu, Xiaolong; Chen, Kehao; Guo, Shan; Shi, Pengfei; Song, Chao; Zhu, Jin","Direct Access to Cobaltacycles via C-H Activation: N-Chloroamide-Enabled Room-Temperature Synthesis of Heterocycles.","Organic letters","2017","19","19","5348","5351","10.1021/acs.orglett.7b02632","","","1.54178","CuKα","","0.0731","0.0531","","","0.134","0.1469","","","","","","1.037","","","","has coordinates","202786","2020-10-21","18:00:00",""
"1547237","8.3729","0.0002","18.1458","0.0004","14.1298","0.0003","90","","113.125","0.001","90","","1974.29","0.08","293","2","293","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C19 H22 Br Cl Co N O3 -","- C19 H22 Br Cl Co N O3 -","- C76 H88 Br4 Cl4 Co4 N4 O12 -","4","1","","Yu, Xiaolong; Chen, Kehao; Guo, Shan; Shi, Pengfei; Song, Chao; Zhu, Jin","Direct Access to Cobaltacycles via C-H Activation: N-Chloroamide-Enabled Room-Temperature Synthesis of Heterocycles.","Organic letters","2017","19","19","5348","5351","10.1021/acs.orglett.7b02632","","","1.54178","CuKα","","0.0293","0.0285","","","0.0712","0.0718","","","","","","1.054","","","","has coordinates","288040","2023-12-05","15:03:41",""
"1547238","15.2176","0.0005","8.3864","0.0003","32.8506","0.0011","90","","90","","90","","4192.4","0.2","193","2","193","2","","","","","","","","3","P b c a","-P 2ac 2ab","61","","","","- C29 H16 S2 -","- C29 H16 S2 -","- C232 H128 S16 -","8","1","","Takase, Ko; Noguchi, Keiichi; Nakano, Koji","Circularly Polarized Luminescence from Chiral Spiro Molecules: Synthesis and Optical Properties of 10,10'-Spirobi(indeno[1,2-b][1]benzothiophene) Derivatives.","Organic letters","2017","19","19","5082","5085","10.1021/acs.orglett.7b02337","","","1.54187","CuKα","","0.1155","0.0779","","","0.195","0.239","","","","","","1.127","","","","has coordinates","202789","2020-10-21","18:00:00",""
"1547239","12.2019","0.0002","15.4584","0.0003","16.691","0.0003","90","","94.737","0.001","90","","3137.53","0.1","193","2","193","2","","","","","","","","5","P 1 2/n 1","-P 2yac","13","","","","- C31 H18 Cl6 O4 S2 -","- C31 H18 Cl6 O4 S2 -","- C124 H72 Cl24 O16 S8 -","4","1","","Takase, Ko; Noguchi, Keiichi; Nakano, Koji","Circularly Polarized Luminescence from Chiral Spiro Molecules: Synthesis and Optical Properties of 10,10'-Spirobi(indeno[1,2-b][1]benzothiophene) Derivatives.","Organic letters","2017","19","19","5082","5085","10.1021/acs.orglett.7b02337","","","1.54187","CuKα","","0.0757","0.0698","","","0.1967","0.2024","","","","","","1.066","","","","has coordinates,has disorder","202789","2020-10-21","18:00:00",""
"1547240","11.246","0.002","17.285","0.004","11.864","0.002","90","","90","","90","","2306.2","0.8","113","2","113","2","","","","","","","","5","P c a 21","P 2c -2ac","29","","","","- C13 H14 F N O -","- C13 H14 F N O -","- C104 H112 F8 N8 O8 -","8","2","","Han, Yong-Chao; Zhang, Yan-Dong; Jia, Qun; Cui, Jian; Zhang, Chi","Hypervalent-Iodine-Mediated Ring-Contraction Monofluorination Affording Monofluorinated Five-Membered Ring-Fused Oxazolines.","Organic letters","2017","19","19","5300","5303","10.1021/acs.orglett.7b02479","","","0.71073","MoKα","","0.1092","0.0957","","","0.2581","0.272","","","","","","1.071","","","","has coordinates","214153","2020-10-21","18:00:00",""
"1547241","14.352","0.005","8.032","0.003","22.473","0.008","90","","95.996","0.008","90","","2576.4","1.6","113","2","113","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C15 H18 F N O -","- C15 H18 F N O -","- C120 H144 F8 N8 O8 -","8","2","","Han, Yong-Chao; Zhang, Yan-Dong; Jia, Qun; Cui, Jian; Zhang, Chi","Hypervalent-Iodine-Mediated Ring-Contraction Monofluorination Affording Monofluorinated Five-Membered Ring-Fused Oxazolines.","Organic letters","2017","19","19","5300","5303","10.1021/acs.orglett.7b02479","","","0.71073","MoKα","","0.067","0.0509","","","0.133","0.1423","","","","","","0.961","","","","has coordinates","214153","2020-10-21","18:00:00",""
"1547242","12.4248","0.0013","20.3497","0.0015","20.8058","0.0015","90","","90","","90","","5260.6","0.8","100","","100","","","","","","","","","6","P b c a","-P 2ac 2ab","61","","","","- C23 H33 F6 N3 P2 Ru -","- C23 H33 F6 N3 P2 Ru -","- C184 H264 F48 N24 P16 Ru8 -","8","1","","Landman, Iris; Paulson, Erik; Rheingold, Arnold L.; Grotjahn, Douglas; Rothenberg, Gadi","Designing bifunctional alkene isomerization catalysts using predictive modelling","Catal. Sci. Technol.","2017","","","","","10.1039/C7CY01106G","","x-ray","0.71073","MoKα","","0.0491","0.0307","","","0.0639","0.072","","","","","","1.02","","","","has coordinates","201053","2020-10-21","18:00:00",""
"1547243","11.7704","0.0005","13.58","0.0005","15.0853","0.0006","80.426","0.001","68.805","0.001","70.553","0.001","2117","0.15","100","","100","","","","","","","","","6","P -1","-P 1","2","","Compound 13","","- C37 H59 F6 N7 P2 Ru -","- C37 H59 F6 N7 P2 Ru -","- C74 H118 F12 N14 P4 Ru2 -","2","1","","Landman, Iris; Paulson, Erik; Rheingold, Arnold L.; Grotjahn, Douglas; Rothenberg, Gadi","Designing bifunctional alkene isomerization catalysts using predictive modelling","Catal. Sci. Technol.","2017","","","","","10.1039/C7CY01106G","","x-ray","0.71073","MoKα","","0.0458","0.0381","","","0.0905","0.0956","","","","","","1.076","","","","has coordinates,has disorder","201053","2020-10-21","18:00:00",""
"1547262","7.708","0.0014","7.8648","0.0014","14.246","0.003","105.133","0.002","90.39","0.003","110.375","0.003","776.9","0.3","296","2","296","2","","","","","","","","5","P -1","-P 1","2","","","","- C10 H19 B10 N O2 -","- C10 H19 B10 N O2 -","- C20 H38 B20 N2 O4 -","2","1","","Li, Chun-Xiao; Zhang, Hao-Yun; Wong, Tsz-Yung; Cao, Hou-Ji; Yan, Hong; Lu, Chang-Sheng","Pyridyl-Directed Cp*Rh(III)-Catalyzed B(3)-H Acyloxylation of o-Carborane.","Organic letters","2017","19","19","5178","5181","10.1021/acs.orglett.7b02450","","","0.71073","MoKα","","0.0535","0.0434","","","0.1226","0.1519","","","","","","1.112","","","","has coordinates","202787","2020-10-21","18:00:00",""
"1547263","7.8102","0.0018","10.484","0.002","14.408","0.003","101.922","0.005","101.787","0.004","102.815","0.004","1086.2","0.4","296.15","","296.15","","","","","","","","","5","P -1","-P 1","2","","","","- C17 H22 B10 N2 O2 -","- C17 H22 B10 N2 O2 -","- C34 H44 B20 N4 O4 -","2","1","","Li, Chun-Xiao; Zhang, Hao-Yun; Wong, Tsz-Yung; Cao, Hou-Ji; Yan, Hong; Lu, Chang-Sheng","Pyridyl-Directed Cp*Rh(III)-Catalyzed B(3)-H Acyloxylation of o-Carborane.","Organic letters","2017","19","19","5178","5181","10.1021/acs.orglett.7b02450","","","0.71073","MoKα","","0.0962","0.057","","","0.1511","0.18","","","","","","1.041","","","","has coordinates","202787","2020-10-21","18:00:00",""
"1547264","10.435","0.005","10.813","0.005","21.42","0.009","84.083","0.007","81.585","0.007","75.119","0.007","2305.3","1.8","296","2","296","2","","","","","","","","5","P -1","-P 1","2","","","","- C18 H29 B10 N O4 -","- C18 H29 B10 N O4 -","- C72 H116 B40 N4 O16 -","4","2","","Li, Chun-Xiao; Zhang, Hao-Yun; Wong, Tsz-Yung; Cao, Hou-Ji; Yan, Hong; Lu, Chang-Sheng","Pyridyl-Directed Cp*Rh(III)-Catalyzed B(3)-H Acyloxylation of o-Carborane.","Organic letters","2017","19","19","5178","5181","10.1021/acs.orglett.7b02450","","","0.71073","MoKα","","0.1198","0.09","","","0.2534","0.2982","","","","","","1.018","","","","has coordinates","202787","2020-10-21","18:00:00",""
"1547265","12.4255","0.0009","15.7669","0.0011","17.6793","0.0013","90","","102.091","0.003","90","","3386.7","0.4","150","","150","","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C41 H42 N2 O2 Si -","- C41 H42 N2 O2 Si -","- C164 H168 N8 O8 Si4 -","4","1","","Williams, David R.; Bawel, Seth A.; Schaugaard, Richard N.","A Stereoselective Michael-Mannich Annelation Strategy for the Construction of Novel Tetrahydrocarbazoles.","Organic letters","2017","19","19","5098","5101","10.1021/acs.orglett.7b02323","","","0.71073","MoKα","","0.0825","0.0516","","0.1551","0.1317","0.1551","","","","","","0.9668","","","","has coordinates","202803","2020-10-21","18:00:00",""
"1547266","13.791","0.003","21.838","0.004","14.457","0.003","90","","107.005","0.005","90","","4163.6","1.5","293","2","293","2","","","","","","","","5","C 1 c 1","C -2yc","9","","","","- C11 H11 Cl3 N2 Zn -","- C11 H11 Cl3 N2 Zn -","- C132 H132 Cl36 N24 Zn12 -","12","3","","Xing, Xiu-Shuang; Sa, Rongjian; Li, Pei-Xin; Zhang, Ning-Ning; Zhou, Zhong-Yuan; Liu, Bin-Wen; Liu, Jie; Wang, Ming-Sheng; Guo, Guo-Cong","Second-order nonlinear optical switch with the record-high contrast for a photochromic and thermochromic bistable crystal","Chem. Sci.","2017","","","","","10.1039/C7SC01228D","","","0.71073","MoKα","","0.0507","0.0388","","","0.1127","0.141","","","","","","0.984","","","","has coordinates","201093","2020-10-21","18:00:00",""
"1547274","15.804","0.003","4.2293","0.0006","25.855","0.004","90","","90","","90","","1728.1","0.5","295","","295","","","","","","","","","3","P n m a","-P 2ac 2n","62","","","","- Ba D1.56 Ge -","- Ba D1.55967 Ge -","- Ba24 D37.432 Ge24 -","24","3","","Auer, Henry; Schlegel, Robert; Oeckler, Oliver; Kohlmann, Holger","Structural and Electronic Flexibility in Hydrides of Zintl Phases with Tetrel-Hydrogen and Tetrel-Tetrel Bonds","Angewandte Chemie International Edition","2017","56","40","12344","12347","10.1002/anie.201706523","powder diffraction","","1.79725","neutron","","","","","","","","","3.03","2.14","","","","","","","has coordinates","201106","2020-10-21","18:00:00",""
"1547275","15.0698","0.0019","3.9503","0.0002","24.6424","0.0019","90","","90","","90","","1467","0.2","295","","295","","","","","","","","","3","P n m a","-P 2ac 2n","62","","","","- D1.49 Si Sr -","- D1.49167 Si Sr -","- D35.8 Si24 Sr24 -","24","3","","Auer, Henry; Schlegel, Robert; Oeckler, Oliver; Kohlmann, Holger","Structural and Electronic Flexibility in Hydrides of Zintl Phases with Tetrel-Hydrogen and Tetrel-Tetrel Bonds","Angewandte Chemie International Edition","2017","56","40","12344","","10.1002/anie.201706523","powder diffraction","","1.86693","neutron","","","","","","","","","3.34","3.13","","","","","","","has coordinates","201107","2020-10-21","18:00:00",""
"1547279","9.826","0.0006","8.8711","0.0007","10.6841","0.0007","90","","90.834","0.003","90","","931.21","0.11","123","1","123","1","","","","","","","","4","P 1 21/n 1","-P 2yn","14","Metformin acetate","","","- C6 H15 N5 O2 -","- C6 H15 N5 O2 -","- C24 H60 N20 O8 -","4","1","","Hassan, Ahmed R.; El-Kousy, Salah M; El-Toumy, Sayed A; Frydenvang, Karla; Tung, Truong Thanh; Olsen, Jesper; Nielsen, John; Christensen, Søren Brøgger","Metformin, an Anthropogenic Contaminant of Seidlitzia rosmarinus Collected in a Desert Region near the Gulf of Aqaba, Sinai Peninsula.","Journal of natural products","2017","80","10","2830","2834","10.1021/acs.jnatprod.7b00106","","","0.71073","MoKα","","0.0799","0.0491","","","0.1082","0.1208","","","","","","1.018","","","","has coordinates","202668","2020-10-21","18:00:00",""
"1547280","7.9855","0.0016","9.6318","0.0019","16.342","0.003","90","","96.36","0.03","90","","1249.2","0.4","295","2","295","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C13 H9 Cl2 N O -","- C13 H9 Cl2 N O -","- C52 H36 Cl8 N4 O4 -","4","1","","Zheng, Xiaokun; Zheng, Yue; Peng, Lu; Xiang, Yu; Tong, Aijun","Mechanoresponsive Fluorescence of 2-Aminobenzophenone Derivatives Based on Amorphous Phase to Crystalline Transformation with High “Off‒On” Contrast Ratio","The Journal of Physical Chemistry C","2017","121","39","21610","","10.1021/acs.jpcc.7b06920","","","0.71073","MoKα","","0.0956","0.0769","","","0.1018","0.11","","","","","","1.025","","","","has coordinates","202767","2020-10-21","18:00:00",""
"1547281","4.7737","0.0002","9.4733","0.0006","24.6076","0.0012","90","","97.36","0.003","90","","1103.65","0.1","100","2","100","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C13 H10 Cl N O -","- C13 H10 Cl N O -","- C52 H40 Cl4 N4 O4 -","4","1","","Zheng, Xiaokun; Zheng, Yue; Peng, Lu; Xiang, Yu; Tong, Aijun","Mechanoresponsive Fluorescence of 2-Aminobenzophenone Derivatives Based on Amorphous Phase to Crystalline Transformation with High “Off‒On” Contrast Ratio","The Journal of Physical Chemistry C","2017","121","39","21610","","10.1021/acs.jpcc.7b06920","","","0.71073","MoKα","","0.0692","0.0629","","","0.1191","0.1229","","","","","","1.068","","","","has coordinates,has disorder","202767","2020-10-21","18:00:00",""
"1547282","10.1846","0.0004","10.9622","0.0004","8.9314","0.0003","90","","99.716","0.004","90","","982.85","0.06","100","2","100","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C13 H11 N O -","- C13 H11 N O -","- C52 H44 N4 O4 -","4","1","","Zheng, Xiaokun; Zheng, Yue; Peng, Lu; Xiang, Yu; Tong, Aijun","Mechanoresponsive Fluorescence of 2-Aminobenzophenone Derivatives Based on Amorphous Phase to Crystalline Transformation with High “Off‒On” Contrast Ratio","The Journal of Physical Chemistry C","2017","121","39","21610","","10.1021/acs.jpcc.7b06920","","","0.71073","MoKα","","0.0598","0.0488","","","0.1216","0.1295","","","","","","1.049","","","","has coordinates","202767","2020-10-21","18:00:00",""
"1547283","5.6343","0.0006","11.2778","0.0012","15.9493","0.0016","90","","90","","90","","1013.46","0.18","300","","300","","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- Fe14.4 K14.4 O32 Ti1.6 -","- Fe14.4 K14.4 O32 Ti1.6 -","- Fe14.4 K14.4 O32 Ti1.6 -","1","0.125","","Proskurnina, Natalia V.; Voronin, Vladimir I.; Shekhtman, Georgi Sh.; Maskaeva, Larisa N.; Kabanova, Natalia A.; Kabanov, Artem A.; Blatov, Vladislav A.","Ionic Conductivity in Ti-Doped KFeO2: Experiment and Mathematical Modeling","The Journal of Physical Chemistry C","2017","121","39","21128","","10.1021/acs.jpcc.7b05164","powder diffraction","","1.494","Neutron","","","","","","","","","7.3694","2.0321","","","","","","","has coordinates","202768","2020-10-21","18:00:00",""
"1547284","5.6351","0.0005","11.3134","0.0009","15.9647","0.0011","90","","90","","90","","1017.78","0.14","400","","400","","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- Fe14.4 K14.4 O32 Ti1.6 -","- Fe14.4 K14.4 O32 Ti1.6 -","- Fe14.4 K14.4 O32 Ti1.6 -","1","0.125","","Proskurnina, Natalia V.; Voronin, Vladimir I.; Shekhtman, Georgi Sh.; Maskaeva, Larisa N.; Kabanova, Natalia A.; Kabanov, Artem A.; Blatov, Vladislav A.","Ionic Conductivity in Ti-Doped KFeO2: Experiment and Mathematical Modeling","The Journal of Physical Chemistry C","2017","121","39","21128","","10.1021/acs.jpcc.7b05164","powder diffraction","","1.494","Neutron","","","","","","","","","6.4958","1.8298","","","","","","","has coordinates","202768","2020-10-21","18:00:00",""
"1547285","5.6443","0.0005","11.3472","0.001","15.9872","0.0011","90","","90","","90","","1023.93","0.15","500","","500","","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- Fe14.4 K14.4 O32 Ti1.6 -","- Fe14.4 K14.4 O32 Ti1.6 -","- Fe14.4 K14.4 O32 Ti1.6 -","1","0.125","","Proskurnina, Natalia V.; Voronin, Vladimir I.; Shekhtman, Georgi Sh.; Maskaeva, Larisa N.; Kabanova, Natalia A.; Kabanov, Artem A.; Blatov, Vladislav A.","Ionic Conductivity in Ti-Doped KFeO2: Experiment and Mathematical Modeling","The Journal of Physical Chemistry C","2017","121","39","21128","","10.1021/acs.jpcc.7b05164","powder diffraction","","1.494","Neutron","","","","","","","","","6.9791","1.7595","","","","","","","has coordinates","202768","2020-10-21","18:00:00",""
"1547286","5.6581","0.0006","11.3735","0.0013","16.0267","0.0015","90","","90","","90","","1031.36","0.19","600","","600","","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- Fe14.4 K14.4 O32 Ti1.6 -","- Fe14.4 K14.4 O32 Ti1.6 -","- Fe14.4 K14.4 O32 Ti1.6 -","1","0.125","","Proskurnina, Natalia V.; Voronin, Vladimir I.; Shekhtman, Georgi Sh.; Maskaeva, Larisa N.; Kabanova, Natalia A.; Kabanov, Artem A.; Blatov, Vladislav A.","Ionic Conductivity in Ti-Doped KFeO2: Experiment and Mathematical Modeling","The Journal of Physical Chemistry C","2017","121","39","21128","","10.1021/acs.jpcc.7b05164","powder diffraction","","1.494","Neutron","","","","","","","","","8.0249","1.7096","","","","","","","has coordinates","202768","2020-10-21","18:00:00",""
"1547287","5.6848","0.0012","11.3764","0.0019","16.09","0.003","90","","90","","90","","1040.6","0.3","700","","700","","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- Fe14.4 K14.4 O32 Ti1.6 -","- Fe14.4 K14.4 O32 Ti1.6 -","- Fe14.4 K14.4 O32 Ti1.6 -","1","0.125","","Proskurnina, Natalia V.; Voronin, Vladimir I.; Shekhtman, Georgi Sh.; Maskaeva, Larisa N.; Kabanova, Natalia A.; Kabanov, Artem A.; Blatov, Vladislav A.","Ionic Conductivity in Ti-Doped KFeO2: Experiment and Mathematical Modeling","The Journal of Physical Chemistry C","2017","121","39","21128","","10.1021/acs.jpcc.7b05164","powder diffraction","","1.494","Neutron","","","","","","","","","8.5117","1.7788","","","","","","","has coordinates","202768","2020-10-21","18:00:00",""
"1547288","8.0715","0.0005","8.0715","0.0005","8.0715","0.0005","90","","90","","90","","525.85","0.06","800","","800","","","","","","","","","4","F d -3 m :2","-F 4vw 2vw 3","227","","","","- Fe7.2 K7.2 O16 Ti0.8 -","- Fe7.2 K7.2 O15.9994 Ti0.8 -","- Fe7.2 K7.2 O15.9994 Ti0.8 -","1","0.00520833","","Proskurnina, Natalia V.; Voronin, Vladimir I.; Shekhtman, Georgi Sh.; Maskaeva, Larisa N.; Kabanova, Natalia A.; Kabanov, Artem A.; Blatov, Vladislav A.","Ionic Conductivity in Ti-Doped KFeO2: Experiment and Mathematical Modeling","The Journal of Physical Chemistry C","2017","121","39","21128","","10.1021/acs.jpcc.7b05164","powder diffraction","","1.494","neutron","","","","","","","","","10.3727","2.6321","","","","","","","has coordinates","202768","2020-10-21","18:00:00",""
"1547289","8.0961","0.0005","8.0961","0.0005","8.0961","0.0005","90","","90","","90","","530.67","0.06","900","","900","","","","","","","","","4","F d -3 m :2","-F 4vw 2vw 3","227","","","","- Fe7.2 K7.2 O16 Ti0.8 -","- Fe7.2 K7.2 O15.9994 Ti0.8 -","- Fe7.2 K7.2 O15.9994 Ti0.8 -","1","0.00520833","","Proskurnina, Natalia V.; Voronin, Vladimir I.; Shekhtman, Georgi Sh.; Maskaeva, Larisa N.; Kabanova, Natalia A.; Kabanov, Artem A.; Blatov, Vladislav A.","Ionic Conductivity in Ti-Doped KFeO2: Experiment and Mathematical Modeling","The Journal of Physical Chemistry C","2017","121","39","21128","","10.1021/acs.jpcc.7b05164","powder diffraction","","1.494","Neutron","","","","","","","","","8.6204","1.0365","","","","","","","has coordinates","202768","2020-10-21","18:00:00",""
"1547290","8.1062","0.0005","8.1062","0.0005","8.1062","0.0005","90","","90","","90","","532.66","0.06","950","","950","","","","","","","","","4","F d -3 m :2","-F 4vw 2vw 3","227","","","","- Fe7.2 K7.2 O16 Ti0.8 -","- Fe7.2 K7.2 O15.9994 Ti0.8 -","- Fe7.2 K7.2 O15.9994 Ti0.8 -","1","0.00520833","","Proskurnina, Natalia V.; Voronin, Vladimir I.; Shekhtman, Georgi Sh.; Maskaeva, Larisa N.; Kabanova, Natalia A.; Kabanov, Artem A.; Blatov, Vladislav A.","Ionic Conductivity in Ti-Doped KFeO2: Experiment and Mathematical Modeling","The Journal of Physical Chemistry C","2017","121","39","21128","","10.1021/acs.jpcc.7b05164","powder diffraction","","1.494","Neutron","","","","","","","","","7.94","1.5024","","","","","","","has coordinates","202768","2020-10-21","18:00:00",""
"1547291","17.957","0.003","5.9124","0.0009","22.486","0.003","90","","122.636","0.009","90","","2010.4","0.6","100","0.2","100","0.2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C44 H50 N2 Si4 -","- C44 H50 N2 Si4 -","- C88 H100 N4 Si8 -","2","0.5","","Margulies, Eric A.; Kerisit, Nicolas; Gawel, Przemyslaw; Mauck, Catherine M.; Ma, Lin; Miller, Claire E.; Young, Ryan M.; Trapp, Nils; Wu, Yi-Lin; Diederich, François; Wasielewski, Michael R.","Substituent Effects on Singlet Exciton Fission in Polycrystalline Thin Films of Cyano-Substituted Diaryltetracenes","The Journal of Physical Chemistry C","2017","121","39","21262","","10.1021/acs.jpcc.7b07870","","x-ray","0.71073","MoKα","","0.1268","0.0648","","","0.139","0.1636","","","","","","1.021","","","","has coordinates,has disorder","202769","2020-10-21","18:00:00",""
"1547292","9.6393","0.0009","9.6969","0.0009","11.313","0.0011","78.132","0.002","77.374","0.002","78.525","0.002","996.6","0.16","100","0.2","100","0.2","","","","","","","","3","P -1","-P 1","2","","","","- C28 H16 F4 -","- C28 H16 F4 -","- C56 H32 F8 -","2","1","","Margulies, Eric A.; Kerisit, Nicolas; Gawel, Przemyslaw; Mauck, Catherine M.; Ma, Lin; Miller, Claire E.; Young, Ryan M.; Trapp, Nils; Wu, Yi-Lin; Diederich, François; Wasielewski, Michael R.","Substituent Effects on Singlet Exciton Fission in Polycrystalline Thin Films of Cyano-Substituted Diaryltetracenes","The Journal of Physical Chemistry C","2017","121","39","21262","","10.1021/acs.jpcc.7b07870","","x-ray","0.71073","MoKα","","0.0611","0.0523","","","0.1363","0.1434","","","","","","1.039","","","","has coordinates","202769","2020-10-21","18:00:00",""
"1547293","7.0204","0.0011","7.3076","0.0013","11.485","0.002","102.679","0.005","92.77","0.005","103.071","0.005","556.96","0.16","100","0.2","100","0.2","","","","","","","","4","P -1","-P 1","2","","","","- C32 H14 F4 N2 -","- C32 H14 F4 N2 -","- C32 H14 F4 N2 -","1","0.5","","Margulies, Eric A.; Kerisit, Nicolas; Gawel, Przemyslaw; Mauck, Catherine M.; Ma, Lin; Miller, Claire E.; Young, Ryan M.; Trapp, Nils; Wu, Yi-Lin; Diederich, François; Wasielewski, Michael R.","Substituent Effects on Singlet Exciton Fission in Polycrystalline Thin Films of Cyano-Substituted Diaryltetracenes","The Journal of Physical Chemistry C","2017","121","39","21262","","10.1021/acs.jpcc.7b07870","","x-ray","0.71073","MoKα","","0.0452","0.0371","","","0.0955","0.1014","","","","","","1.061","","","","has coordinates","202769","2020-10-21","18:00:00",""
"1547294","11.1962","0.0007","11.4527","0.0007","16.6957","0.001","104.961","0.002","104.164","0.002","96.492","0.002","1969.6","0.2","100","0.2","100","0.2","","","","","","","","3","P -1","-P 1","2","","","","- C40 H52 Si4 -","- C40 H52 Si4 -","- C80 H104 Si8 -","2","1","","Margulies, Eric A.; Kerisit, Nicolas; Gawel, Przemyslaw; Mauck, Catherine M.; Ma, Lin; Miller, Claire E.; Young, Ryan M.; Trapp, Nils; Wu, Yi-Lin; Diederich, François; Wasielewski, Michael R.","Substituent Effects on Singlet Exciton Fission in Polycrystalline Thin Films of Cyano-Substituted Diaryltetracenes","The Journal of Physical Chemistry C","2017","121","39","21262","","10.1021/acs.jpcc.7b07870","","x-ray","0.71073","MoKα","","0.0927","0.0475","","","0.102","0.1166","","","","","","0.981","","","","has coordinates","202769","2020-10-21","18:00:00",""
"1547295","11.9025","0.0008","7.4111","0.0006","13.2657","0.0009","90","","90","","90","","1170.18","0.15","123","","123","","","","","","","","","4","P n a 21","P 2c -2n","33","","","","- C12 H16 N2 O2 -","- C12 H16 N2 O2 -","- C48 H64 N8 O8 -","4","1","","Hao, Feiyue; Asahara, Haruyasu; Nishiwaki, Nagatoshi","Direct Aziridination of Nitroalkenes Affording N-Alkyl-C-nitroaziridines and the Subsequent Lewis Acid Mediated Isomerization to β-Nitroenamines.","Organic letters","2017","19","19","5442","5445","10.1021/acs.orglett.7b02724","","","0.71075","MoKα","","0.1021","0.0567","","","0.1257","0.1591","","","","","","0.91","","","","has coordinates","202800","2020-10-21","18:00:00",""
"1547296","8.0103","0.0002","6.9176","0.0002","24.3023","0.0005","90","","95.153","0.001","90","","1341.2","0.06","173","2","173","2","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","","","- C17 H16 O2 -","- C17 H16 O2 -","- C68 H64 O8 -","4","1","","Pan, Jin-Long; Chen, Chao; Ma, Zhi-Gang; Zhou, Jia; Wang, Li-Ren; Zhang, Shu-Yu","Stereoselective Synthesis of Z-Vinylsilanes via Palladium-Catalyzed Direct Intermolecular Silylation of C(sp(2))-H Bonds.","Organic letters","2017","19","19","5216","5219","10.1021/acs.orglett.7b02486","","","1.54178","CuKα","","0.0457","0.0381","","","0.1287","0.1408","","","","","","1.16","","","","has coordinates","202801","2020-10-21","18:00:00",""
"1547297","7.9568","0.0003","13.6772","0.0005","14.6028","0.0006","69.85","0.001","87.671","0.001","77.154","0.001","1453.44","0.1","173","2","173","2","","","","","","","","5","P -1","-P 1","2","","","","- C15 H18 N2 O Si -","- C15 H18 N2 O Si -","- C60 H72 N8 O4 Si4 -","4","2","","Pan, Jin-Long; Chen, Chao; Ma, Zhi-Gang; Zhou, Jia; Wang, Li-Ren; Zhang, Shu-Yu","Stereoselective Synthesis of Z-Vinylsilanes via Palladium-Catalyzed Direct Intermolecular Silylation of C(sp(2))-H Bonds.","Organic letters","2017","19","19","5216","5219","10.1021/acs.orglett.7b02486","","","1.54178","CuKα","","0.036","0.0324","","","0.091","0.0936","","","","","","1.032","","","","has coordinates","202801","2020-10-21","18:00:00",""
"1547298","11.9573","0.0003","11.2275","0.0003","14.8598","0.0004","90","","98.926","0.001","90","","1970.78","0.09","173","2","173","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C21 H22 N2 O Si -","- C21 H22 N2 O Si -","- C84 H88 N8 O4 Si4 -","4","1","","Pan, Jin-Long; Chen, Chao; Ma, Zhi-Gang; Zhou, Jia; Wang, Li-Ren; Zhang, Shu-Yu","Stereoselective Synthesis of Z-Vinylsilanes via Palladium-Catalyzed Direct Intermolecular Silylation of C(sp(2))-H Bonds.","Organic letters","2017","19","19","5216","5219","10.1021/acs.orglett.7b02486","","","1.54178","CuKα","","0.0502","0.0481","","","0.1236","0.1258","","","","","","1.023","","","","has coordinates","202801","2020-10-21","18:00:00",""
"1547299","8.126","0.0002","20.9981","0.0005","11.7913","0.0002","90","","120.091","0.001","90","","1740.81","0.07","293","2","293","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C20 H13 F2 N3 O Pd -","- C20 H13 F2 N3 O Pd -","- C80 H52 F8 N12 O4 Pd4 -","4","1","","Pan, Jin-Long; Chen, Chao; Ma, Zhi-Gang; Zhou, Jia; Wang, Li-Ren; Zhang, Shu-Yu","Stereoselective Synthesis of Z-Vinylsilanes via Palladium-Catalyzed Direct Intermolecular Silylation of C(sp(2))-H Bonds.","Organic letters","2017","19","19","5216","5219","10.1021/acs.orglett.7b02486","","","1.54178","CuKα","","0.0218","0.0212","","","0.0557","0.0562","","","","","","1.087","","","","has coordinates","202801","2020-10-21","18:00:00",""
"1547300","19.273","0.007","7.63","0.003","12.384","0.005","90","","100.001","0.01","90","","1793.4","1.2","296","2","296","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C18 H28 O3 Si -","- C18 H28 O3 Si -","- C72 H112 O12 Si4 -","4","1","","Yang, Qianqian; Ma, Wenjing; Wang, Gaopeng; Bao, Wenli; Dong, Xiaoshu; Liang, Xuefeng; Zhu, Lizhi; Lee, Chi-Sing","Tunable Cyclization Strategy for the Synthesis of Zizaene-, allo-Cedrane-, seco-Kaurane-, and seco-Atesane-Type Skeletons.","Organic letters","2017","19","19","5324","5327","10.1021/acs.orglett.7b02610","","","0.71073","MoKα","","0.1088","0.0875","","","0.2212","0.2375","","","","","","1.074","","","","has coordinates","202804","2020-10-21","18:00:00",""
"1547301","7.3119","0.0005","11.552","0.0009","12.6325","0.001","104.854","0.0024","97.6124","0.0022","94.5246","0.0023","1015.17","0.13","296","2","296","2","","","","","","","","4","P -1","-P 1","2","","","","- C21 H32 O3 Si -","- C21 H32 O3 Si -","- C42 H64 O6 Si2 -","2","1","","Yang, Qianqian; Ma, Wenjing; Wang, Gaopeng; Bao, Wenli; Dong, Xiaoshu; Liang, Xuefeng; Zhu, Lizhi; Lee, Chi-Sing","Tunable Cyclization Strategy for the Synthesis of Zizaene-, allo-Cedrane-, seco-Kaurane-, and seco-Atesane-Type Skeletons.","Organic letters","2017","19","19","5324","5327","10.1021/acs.orglett.7b02610","","","0.71073","MoKα","","0.0646","0.0511","","","0.1342","0.1435","","","","","","1.052","","","","has coordinates","202804","2020-10-21","18:00:00",""
"1547302","9.1835","0.0005","11.772","0.0006","11.8757","0.0006","97.9911","0.0014","97.2935","0.0014","105.76","0.0015","1205.18","0.11","293","2","293","2","","","","","","","","3","P -1","-P 1","2","","","","- C14 H18 O2 -","- C14 H18 O2 -","- C56 H72 O8 -","4","2","","Yang, Qianqian; Ma, Wenjing; Wang, Gaopeng; Bao, Wenli; Dong, Xiaoshu; Liang, Xuefeng; Zhu, Lizhi; Lee, Chi-Sing","Tunable Cyclization Strategy for the Synthesis of Zizaene-, allo-Cedrane-, seco-Kaurane-, and seco-Atesane-Type Skeletons.","Organic letters","2017","19","19","5324","5327","10.1021/acs.orglett.7b02610","","","0.71073","MoKα","","0.0592","0.0471","","","0.1285","0.1378","","","","","","1.046","","","","has coordinates","202804","2020-10-21","18:00:00",""
"1547303","19.8426","0.0011","7.7701","0.0004","12.1168","0.0007","90","","91.8138","0.0018","90","","1867.22","0.18","293","2","293","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C18 H28 O4 Si -","- C18 H28 O4 Si -","- C72 H112 O16 Si4 -","4","1","","Yang, Qianqian; Ma, Wenjing; Wang, Gaopeng; Bao, Wenli; Dong, Xiaoshu; Liang, Xuefeng; Zhu, Lizhi; Lee, Chi-Sing","Tunable Cyclization Strategy for the Synthesis of Zizaene-, allo-Cedrane-, seco-Kaurane-, and seco-Atesane-Type Skeletons.","Organic letters","2017","19","19","5324","5327","10.1021/acs.orglett.7b02610","","","0.71073","MoKα","","0.0634","0.0479","","","0.1249","0.1354","","","","","","1.03","","","","has coordinates","202804","2020-10-21","18:00:00",""
"1547304","7.2951","0.0003","25.7751","0.001","10.621","0.0005","90","","95.7546","0.0029","90","","1987.02","0.15","296","2","296","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C19 H30 O3 Si -","- C19 H30 O3 Si -","- C76 H120 O12 Si4 -","4","1","","Yang, Qianqian; Ma, Wenjing; Wang, Gaopeng; Bao, Wenli; Dong, Xiaoshu; Liang, Xuefeng; Zhu, Lizhi; Lee, Chi-Sing","Tunable Cyclization Strategy for the Synthesis of Zizaene-, allo-Cedrane-, seco-Kaurane-, and seco-Atesane-Type Skeletons.","Organic letters","2017","19","19","5324","5327","10.1021/acs.orglett.7b02610","","","0.71073","MoKα","","0.1252","0.0836","","","0.1757","0.1987","","","","","","1.032","","","","has coordinates","202804","2020-10-21","18:00:00",""
"1547305","8.9921","0.001","14.991","0.0014","18.8794","0.0012","70.038","0.007","86.459","0.007","82.52","0.008","2371.3","0.4","292.95","0.1","292.95","0.1","","","","","","","","7","P -1","-P 1","2","","","","- C25 H18 Cl F3 N2 O3 S -","- C25 H18 Cl F3 N2 O3 S -","- C100 H72 Cl4 F12 N8 O12 S4 -","4","2","","Meng, Qiang; Chen, Fei; Yu, Wei; Han, Bing","Copper-Catalyzed Cascade Cyclization of 1,7-Enynes toward Trifluoromethyl-Substituted 1'H-Spiro[azirine-2,4'-quinolin]-2'(3'H)-ones.","Organic letters","2017","19","19","5186","5189","10.1021/acs.orglett.7b02453","","","0.71073","MoKα","","0.1379","0.0707","","","0.164","0.24","","","","","","1.017","","","","has coordinates","202811","2020-10-21","18:00:00",""
"1547306","9.49","0.003","11.322","0.004","7.377","0.004","90","","90","","90","","792.6","0.6","90","2","90","2","","","","","","","","3","P b c n","-P 2n 2ab","60","","","","- C10 H8 O2 -","- C10 H8 O2 -","- C40 H32 O8 -","4","0.5","","Stefan, Mihaela Corina; Du, Jia; Bulumulla, Chandima; Mejia, Israel; McCandless, Gregory T.; Biewer, Michael C.","Evaluation of (E)-1,2-di(furan-2-yl)ethene as building unit in diketopyrrolopyrrole alternating copolymers for transistors","Polym. Chem.","2017","","","","","10.1039/C7PY01373F","","","0.71073","MoKα","","0.099","0.0615","","","0.1135","0.1262","","","","","","1.074","","","","has coordinates","201167","2020-10-21","18:00:00",""
"1547307","10.3252","0.0003","13.8631","0.0004","16.9586","0.0003","101.243","0.001","92.514","0.001","109.471","0.001","2229.09","0.1","296","2","296","2","","","","","","","","5","P -1","-P 1","2","","bis(pefloxacinium 2-thiobarbiturate) hydrate","","- C21 H25 F N5 O7.28 -","- C21 H25 F N5 O7.2805 -","- C84 H100 F4 N20 O29.122 -","4","2","","N.N. Golovnev; M.S. Molokeev; M.K. Lesnikov; I.V. Sterkhova; V.V. Atuchin","Thiobarbiturate and barbiturate salts of pefloxacin drug: Growth, structure, thermal stability and IR-spectra","Journal of Molecular Structure","2017","1149","0","367","372","10.1016/j.molstruc.2017.08.011","","","0.71073","MoKα","","0.0747","0.055","","","0.1704","0.1891","","","","","","1.039","","","","has coordinates","216710","2020-10-21","18:00:00",""
"1547308","12.0768","0.0009","14.712","0.0011","12.2222","0.0009","90","","95.109","0.003","90","","2162.9","0.3","150","2","150","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","pefloxacinium 2-thiobarbiturate","","- C21 H24 F N5 O5 S -","- C21 H24 F N5 O5 S -","- C84 H96 F4 N20 O20 S4 -","4","1","","N.N. Golovnev; M.S. Molokeev; M.K. Lesnikov; I.V. Sterkhova; V.V. Atuchin","Thiobarbiturate and barbiturate salts of pefloxacin drug: Growth, structure, thermal stability and IR-spectra","Journal of Molecular Structure","2017","1149","0","367","372","10.1016/j.molstruc.2017.08.011","","","0.71073","MoKα","","0.0725","0.0468","","","0.1116","0.1256","","","","","","1.06","","","","has coordinates","201173","2020-10-21","18:00:00",""
"1547309","8.4651","0.0006","9.3753","0.0006","15.8077","0.0009","89.484","0.002","88.735","0.002","78.147","0.002","1227.48","0.14","150","2","150","2","","","","","","","","6","P -1","-P 1","2","","2-thiobarbiturate trihydrate","","- C21 H30 F N5 O8 S -","- C21 H30 F N5 O8 S -","- C42 H60 F2 N10 O16 S2 -","2","1","","N.N. Golovnev; M.S. Molokeev; M.K. Lesnikov; I.V. Sterkhova; V.V. Atuchin","Thiobarbiturate and barbiturate salts of pefloxacin drug: Growth, structure, thermal stability and IR-spectra","Journal of Molecular Structure","2017","1149","0","367","372","10.1016/j.molstruc.2017.08.011","","","0.71073","MoKα","","0.1218","0.0523","","","0.106","0.1336","","","","","","0.905","","","","has coordinates","201174","2020-10-21","18:00:00",""
"1547310","11.1051","0.0008","11.6556","0.0007","12.5568","0.0009","65.997","0.006","65.067","0.007","67.782","0.006","1303.82","0.18","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C28 H24 N4 O5 Se -","- C28 H24 N4 O5 Se -","- C56 H48 N8 O10 Se2 -","2","1","","Wu, Ping; Wu, Kaikai; Wang, Liandi; Yu, Zhengkun","Iron-Promoted Difunctionalization of Alkenes by Phenylselenylation/1,2-Aryl Migration.","Organic letters","2017","19","19","5450","5453","10.1021/acs.orglett.7b02751","","","0.71073","MoKα","","0.0682","0.04","","","0.0744","0.0856","","","","","","1.011","","","","has coordinates","202784","2020-10-21","18:00:00",""
"1547311","13.0995","0.0006","13.8051","0.0005","15.6445","0.0005","90","","112.12","0.005","90","","2620.9","0.2","293","2","293","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C28 H23 F N4 O5 Se -","- C28 H23 F N4 O5 Se -","- C112 H92 F4 N16 O20 Se4 -","4","1","","Wu, Ping; Wu, Kaikai; Wang, Liandi; Yu, Zhengkun","Iron-Promoted Difunctionalization of Alkenes by Phenylselenylation/1,2-Aryl Migration.","Organic letters","2017","19","19","5450","5453","10.1021/acs.orglett.7b02751","","","0.71073","MoKα","","0.0633","0.0481","","","0.1275","0.1384","","","","","","1.036","","","","has coordinates","202784","2020-10-21","18:00:00",""
"1547312","8.5275","0.0003","10.4444","0.0003","11.7063","0.0004","71.7186","0.0015","77.0693","0.0012","66.7601","0.0009","903.67","0.05","296","2","296","2","","","","","","","","4","P -1","-P 1","2","","","","- C24 H19 N O2 -","- C24 H19 N O2 -","- C48 H38 N2 O4 -","2","1","","Arunprasath, Dhanarajan; Devi Bala, Balasubramanian; Sekar, Govindasamy","Stereoselective Construction of α-Tetralone-Fused Spirooxindoles via Pd-Catalyzed Domino Carbene Migratory Insertion/Conjugate Addition Sequence.","Organic letters","2017","19","19","5280","5283","10.1021/acs.orglett.7b02555","","","0.71073","MoKα","","0.0557","0.0425","","","0.1028","0.1121","","","","","","1.039","","","","has coordinates","202797","2020-10-21","18:00:00",""
"1547313","26.201","0.002","9.1245","0.0007","16.2023","0.0013","90","","108.289","0.003","90","","3677.8","0.5","296","2","296","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C24 H19 N O2 -","- C24 H19 N O2 -","- C192 H152 N8 O16 -","8","1","","Arunprasath, Dhanarajan; Devi Bala, Balasubramanian; Sekar, Govindasamy","Stereoselective Construction of α-Tetralone-Fused Spirooxindoles via Pd-Catalyzed Domino Carbene Migratory Insertion/Conjugate Addition Sequence.","Organic letters","2017","19","19","5280","5283","10.1021/acs.orglett.7b02555","","","0.71073","MoKα","","0.0939","0.0429","","","0.0912","0.1135","","","","","","1.006","","","","has coordinates","202797","2020-10-21","18:00:00",""
"1547314","10.907","0.0003","11.8602","0.0003","12.5989","0.0003","114.533","0.001","105.84","0.001","100.619","0.001","1341.35","0.06","296","2","296","2","","","","","","","","5","P -1","-P 1","2","","","","- C31 H24 Cl3 N O2 -","- C31 H24 Cl3 N O2 -","- C62 H48 Cl6 N2 O4 -","2","1","","Arunprasath, Dhanarajan; Devi Bala, Balasubramanian; Sekar, Govindasamy","Stereoselective Construction of α-Tetralone-Fused Spirooxindoles via Pd-Catalyzed Domino Carbene Migratory Insertion/Conjugate Addition Sequence.","Organic letters","2017","19","19","5280","5283","10.1021/acs.orglett.7b02555","","","0.71073","MoKα","","0.0984","0.0801","","","0.1957","0.2135","","","","","","0.941","","","","has coordinates","202797","2020-10-21","18:00:00",""
"1547315","9.0802","0.0003","9.9498","0.0004","24.9306","0.0009","90","","98.8194","0.0013","90","","2225.75","0.14","296","2","296","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C30 H23 N O2 -","- C30 H23 N O2 -","- C120 H92 N4 O8 -","4","1","","Arunprasath, Dhanarajan; Devi Bala, Balasubramanian; Sekar, Govindasamy","Stereoselective Construction of α-Tetralone-Fused Spirooxindoles via Pd-Catalyzed Domino Carbene Migratory Insertion/Conjugate Addition Sequence.","Organic letters","2017","19","19","5280","5283","10.1021/acs.orglett.7b02555","","","0.71073","MoKα","","0.0526","0.036","","","0.0879","0.0997","","","","","","1.006","","","","has coordinates","202797","2020-10-21","18:00:00",""
"1547316","9.3618","0.0004","10.5515","0.0005","24.1467","0.0011","90","","96.2562","0.0019","90","","2371.03","0.19","296","2","296","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C31 H23 N O4 -","- C31 H23 N O4 -","- C124 H92 N4 O16 -","4","1","","Arunprasath, Dhanarajan; Devi Bala, Balasubramanian; Sekar, Govindasamy","Stereoselective Construction of α-Tetralone-Fused Spirooxindoles via Pd-Catalyzed Domino Carbene Migratory Insertion/Conjugate Addition Sequence.","Organic letters","2017","19","19","5280","5283","10.1021/acs.orglett.7b02555","","","0.71073","MoKα","","0.0585","0.0454","","","0.108","0.1175","","","","","","1.073","","","","has coordinates","202797","2020-10-21","18:00:00",""
"1547317","8.7392","0.0003","10.6106","0.0003","11.8953","0.0004","73.1183","0.0016","78.1739","0.0017","66.4494","0.0015","962.6","0.06","296","2","296","2","","","","","","","","3","P -1","-P 1","2","","","","- C27 H18 O2 -","- C27 H18 O2 -","- C54 H36 O4 -","2","1","","Arunprasath, Dhanarajan; Devi Bala, Balasubramanian; Sekar, Govindasamy","Stereoselective Construction of α-Tetralone-Fused Spirooxindoles via Pd-Catalyzed Domino Carbene Migratory Insertion/Conjugate Addition Sequence.","Organic letters","2017","19","19","5280","5283","10.1021/acs.orglett.7b02555","","","0.71073","MoKα","","0.0876","0.0706","","","0.1992","0.2232","","","","","","1.071","","","","has coordinates","202797","2020-10-21","18:00:00",""
"1547318","11.2003","0.0003","32.9681","0.0009","9.9704","0.0003","90","","103.46","0.001","90","","3580.47","0.17","200","2","200","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C20 H20 B N O4 -","- C20 H20 B N O4 -","- C160 H160 B8 N8 O32 -","8","2","","Khanizeman, R. N.; Barde, E.; Bates, R. W.; Guérinot, A; Cossy, J.","Modular Access to Triarylethylene Units from Arylvinyl MIDA Boronates Using a Regioselective Heck Coupling.","Organic letters","2017","19","19","5046","5049","10.1021/acs.orglett.7b02218","","","1.54178","CuKα","","0.0495","0.0391","","","0.0979","0.1039","","","","","","1.021","","","","has coordinates","202809","2020-10-21","18:00:00",""
"1547319","8.3072","0.0007","7.8052","0.001","25.7246","0.0027","90","","97.491","0.004","90","","1653.7","0.3","","","294","","","","","","","","","4","P 1 21 1","P 2yb","4","dG(C10)2","3',5'-bis-O-decanoyl-2'-deoxyguanosine","","- C30 H49 N5 O6 -","- C30 H49 N5 O6 -","- C60 H98 N10 O12 -","2","1","","Colan E. Hughes; G. N. Manjunatha Reddy; Stefano Masiero; Steven P. Brown; P. Andrew Williams; Kenneth D. M. Harris","Determination of a complex crystal structure in the absence of single crystals: analysis of powder X-ray diffraction data, guided by solid-state NMR and periodic DFT calculations, reveals a new 2'-deoxyguanosine structural motif","Chemical Science","2017","8","","3971","3979","10.1039/c7sc00587c","powder diffraction","x-ray","1.5406","","","","","","","","","0.17052","","1.69","","","","","","","has coordinates","201225","2020-10-21","18:00:00",""
"1547320","17.934","0.008","36.37","0.02","13.179","0.008","90","","120.82","0.03","90","","7382","7","243","2","243","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C26 H22 Cu N4 O6 Se -","- C26 H22 Cu N4 O6 Se -","- C312 H264 Cu12 N48 O72 Se12 -","12","3","","Heng-Yun Ye; Wei-Qiang Liao; Qionghua Zhou; Yi Zhang; Jinlan Wang; Yu-Meng You; Jin-Yun Wang; Zhong-Ning Chen; Peng-Fei Li; Da-Wei Fu; Songping D. Huang; and Ren-Gen Xiong","Dielectric and ferroelectric sensing based on molecular recognition in Cu(1,10-phenlothroline)2SeO4.(diol) systems","Nature Communications","2017","8","","14551","","10.1038/ncomms14551","","","0.71073","MoKα","","0.1294","0.0894","","","0.2069","0.2324","","","","","","1.2","","","","has coordinates","214153","2020-10-21","18:00:00",""
"1547321","17.86","0.03","12.16","0.03","13.17","0.03","90","","120.79","0.03","90","","2457","9","303","2","303","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C26 H22 Cu N4 O6 Se -","- C26 H22 Cu N4 O6 Se -","- C104 H88 Cu4 N16 O24 Se4 -","4","0.5","","Heng-Yun Ye; Wei-Qiang Liao; Qionghua Zhou; Yi Zhang; Jinlan Wang; Yu-Meng You; Jin-Yun Wang; Zhong-Ning Chen; Peng-Fei Li; Da-Wei Fu; Songping D. Huang; and Ren-Gen Xiong","Dielectric and ferroelectric sensing based on molecular recognition in Cu(1,10-phenlothroline)2SeO4.(diol) systems","Nature Communications","2017","8","","14551","","10.1038/ncomms14551","","","0.71073","MoKα","","0.0953","0.0697","","","0.162","0.1735","","","","","","1.059","","","","has coordinates","201235","2020-10-21","18:00:00",""
"1547322","17.924","0.013","12.236","0.013","13.253","0.015","90","","120.69","0.03","90","","2500","4","353","2","353","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C4.73 H4 Cu0.18 N0.73 O1.09 Se0.18 -","- C4.72727 H4 Cu0.181818 N0.727273 O1.09091 Se0.181818 -","- C104 H88 Cu4 N16 O24 Se4 -","22","2.75","","Heng-Yun Ye; Wei-Qiang Liao; Qionghua Zhou; Yi Zhang; Jinlan Wang; Yu-Meng You; Jin-Yun Wang; Zhong-Ning Chen; Peng-Fei Li; Da-Wei Fu; Songping D. Huang; and Ren-Gen Xiong","Dielectric and ferroelectric sensing based on molecular recognition in Cu(1,10-phenlothroline)2SeO4.(diol) systems","Nature Communications","2017","8","","14551","","10.1038/ncomms14551","","","0.71073","MoKα","","0.0616","0.0492","","","0.1206","0.1281","","","","","","1.115","","","","has coordinates","201236","2020-10-21","18:00:00",""
"1547323","17.434","0.019","13.149","0.012","13.184","0.014","90","","123.634","0.01","90","","2516","4","93","2","93","2","","","","","","","","6","C 1 c 1","C -2yc","9","","","","- C27 H24 Cu N4 O6 Se -","- C27 H24 Cu N4 O6 Se -","- C108 H96 Cu4 N16 O24 Se4 -","4","1","","Heng-Yun Ye; Wei-Qiang Liao; Qionghua Zhou; Yi Zhang; Jinlan Wang; Yu-Meng You; Jin-Yun Wang; Zhong-Ning Chen; Peng-Fei Li; Da-Wei Fu; Songping D. Huang; and Ren-Gen Xiong","Dielectric and ferroelectric sensing based on molecular recognition in Cu(1,10-phenlothroline)2SeO4.(diol) systems","Nature Communications","2017","8","","14551","","10.1038/ncomms14551","","","0.71073","MoKα","","0.0458","0.0392","","","0.1007","0.1078","","","","","","1.101","","","","has coordinates,has disorder","201237","2020-10-21","18:00:00",""
"1547324","17.58","0.019","13.218","0.013","13.269","0.015","90","","123.34","0.013","90","","2576","5","173","2","173","2","","","","","","","","6","C 1 c 1","C -2yc","9","","","","- C27 H24 Cu N4 O6 Se -","- C27 H24 Cu N4 O6 Se -","- C108 H96 Cu4 N16 O24 Se4 -","4","1","","Heng-Yun Ye; Wei-Qiang Liao; Qionghua Zhou; Yi Zhang; Jinlan Wang; Yu-Meng You; Jin-Yun Wang; Zhong-Ning Chen; Peng-Fei Li; Da-Wei Fu; Songping D. Huang; and Ren-Gen Xiong","Dielectric and ferroelectric sensing based on molecular recognition in Cu(1,10-phenlothroline)2SeO4.(diol) systems","Nature Communications","2017","8","","14551","","10.1038/ncomms14551","","","0.71073","MoKα","","0.058","0.0509","","","0.1251","0.1337","","","","","","1.067","","","","has coordinates,has disorder","201238","2020-10-21","18:00:00",""
"1547325","9.6462","0.0003","11.3462","0.0003","34.2707","0.001","81.024","0.002","83.266","0.002","65.585","0.002","3367.79","0.18","200","1","200","1","","","","","","","","5","P -1","-P 1","2","","","","- C35.5 H41 Fe N O7 -","- C35.5 H41 Fe N O7 -","- C142 H164 Fe4 N4 O28 -","4","2","","Pigeon, Pascal; Wang, Yong; Top, Siden; Najlaoui, Feten; Garcia Alvarez, Maria Concepcion; Bignon, Jérôme; McGlinchey, Michael J.; Jaouen, Gérard","A New Series of Succinimido-ferrociphenols and Related Heterocyclic Species Induce Strong Antiproliferative Effects, Especially against Ovarian Cancer Cells Resistant to Cisplatin.","Journal of medicinal chemistry","2017","60","20","8358","8368","10.1021/acs.jmedchem.7b00743","","","1.54178","CuKα","","0.0378","0.0332","","","0.0868","0.0895","","","","","","1.028","","","","has coordinates","214153","2020-10-21","18:00:00",""
"1547326","17.515","0.02","13.237","0.012","13.262","0.015","90","","123.415","0.013","90","","2566","5","243","2","243","2","","","","","","","","6","C 1 c 1","C -2yc","9","","","","- C27 H24 Cu N4 O6 Se -","- C27 H24 Cu N4 O6 Se -","- C108 H96 Cu4 N16 O24 Se4 -","4","1","","Heng-Yun Ye; Wei-Qiang Liao; Qionghua Zhou; Yi Zhang; Jinlan Wang; Yu-Meng You; Jin-Yun Wang; Zhong-Ning Chen; Peng-Fei Li; Da-Wei Fu; Songping D. Huang; and Ren-Gen Xiong","Dielectric and ferroelectric sensing based on molecular recognition in Cu(1,10-phenlothroline)2SeO4.(diol) systems","Nature Communications","2017","8","","14551","","10.1038/ncomms14551","","","0.71073","MoKα","","0.0704","0.0536","","","0.1277","0.1438","","","","","","1.004","","","","has coordinates,has disorder","201240","2020-10-21","18:00:00",""
"1547327","11.7418","0.0003","16.8025","0.0005","13.8536","0.0004","90","","112.354","0.002","90","","2527.8","0.13","200","1","200","1","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C31 H29 Fe N O4 -","- C31 H29 Fe N O4 -","- C124 H116 Fe4 N4 O16 -","4","1","","Pigeon, Pascal; Wang, Yong; Top, Siden; Najlaoui, Feten; Garcia Alvarez, Maria Concepcion; Bignon, Jérôme; McGlinchey, Michael J.; Jaouen, Gérard","A New Series of Succinimido-ferrociphenols and Related Heterocyclic Species Induce Strong Antiproliferative Effects, Especially against Ovarian Cancer Cells Resistant to Cisplatin.","Journal of medicinal chemistry","2017","60","20","8358","8368","10.1021/acs.jmedchem.7b00743","","","1.54178","CuKα","","0.0393","0.0344","","","0.0847","0.0879","","","","","","1.035","","","","has coordinates","202667","2020-10-21","18:00:00",""
"1547328","17.582","0.008","13.248","0.008","13.324","0.005","90","","123.38","0.04","90","","2592","2","333","2","333","2","","","","","","","","6","C 1 c 1","C -2yc","9","","","","- C27 H24 Cu N4 O6 Se -","- C27 H24 Cu N4 O6 Se -","- C108 H96 Cu4 N16 O24 Se4 -","4","1","","Heng-Yun Ye; Wei-Qiang Liao; Qionghua Zhou; Yi Zhang; Jinlan Wang; Yu-Meng You; Jin-Yun Wang; Zhong-Ning Chen; Peng-Fei Li; Da-Wei Fu; Songping D. Huang; and Ren-Gen Xiong","Dielectric and ferroelectric sensing based on molecular recognition in Cu(1,10-phenlothroline)2SeO4.(diol) systems","Nature Communications","2017","8","","14551","","10.1038/ncomms14551","","","0.71073","MoKα","","0.0455","0.0391","","","0.0908","0.0955","","","","","","1.046","","","","has coordinates,has disorder","201242","2020-10-21","18:00:00",""
"1547329","17.723","0.009","12.711","0.006","13.471","0.007","90","","123.186","0.008","90","","2540","2","173","2","173","2","","","","","","","","6","C 1 c 1","C -2yc","9","","","","- C27 H24 Cu N4 O6 Se -","- C27 H24 Cu N4 O6 Se -","- C108 H96 Cu4 N16 O24 Se4 -","4","1","","Heng-Yun Ye; Wei-Qiang Liao; Qionghua Zhou; Yi Zhang; Jinlan Wang; Yu-Meng You; Jin-Yun Wang; Zhong-Ning Chen; Peng-Fei Li; Da-Wei Fu; Songping D. Huang; and Ren-Gen Xiong","Dielectric and ferroelectric sensing based on molecular recognition in Cu(1,10-phenlothroline)2SeO4.(diol) systems","Nature Communications","2017","8","","14551","","10.1038/ncomms14551","","","0.71073","MoKα","","0.047","0.0433","","","0.0907","0.0936","","","","","","1.051","","","","has coordinates","201243","2020-10-21","18:00:00",""
"1547330","17.794","0.008","12.662","0.008","13.644","0.011","90","","123.19","0.02","90","","2573","3","293","2","293","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C27 H24 Cu N4 O6 Se -","- C27 H24 Cu N4 O6 Se -","- C108 H96 Cu4 N16 O24 Se4 -","4","0.5","","Heng-Yun Ye; Wei-Qiang Liao; Qionghua Zhou; Yi Zhang; Jinlan Wang; Yu-Meng You; Jin-Yun Wang; Zhong-Ning Chen; Peng-Fei Li; Da-Wei Fu; Songping D. Huang; and Ren-Gen Xiong","Dielectric and ferroelectric sensing based on molecular recognition in Cu(1,10-phenlothroline)2SeO4.(diol) systems","Nature Communications","2017","8","","14551","","10.1038/ncomms14551","","","0.71073","MoKα","","0.0472","0.0411","","","0.0939","0.0969","","","","","","1.115","","","","has coordinates,has disorder","201244","2020-10-21","18:00:00",""
"1547331","17.551","0.018","13.247","0.011","13.266","0.013","90","","123.367","0.012","90","","2576","4","253","2","253","2","","","","","","","","6","C 1 c 1","C -2yc","9","","","","- C27 H24 Cu N4 O6 Se -","- C27 H24 Cu N4 O6 Se -","- C108 H96 Cu4 N16 O24 Se4 -","4","1","","Heng-Yun Ye; Wei-Qiang Liao; Qionghua Zhou; Yi Zhang; Jinlan Wang; Yu-Meng You; Jin-Yun Wang; Zhong-Ning Chen; Peng-Fei Li; Da-Wei Fu; Songping D. Huang; and Ren-Gen Xiong","Dielectric and ferroelectric sensing based on molecular recognition in Cu(1,10-phenlothroline)2SeO4.(diol) systems","Nature Communications","2017","8","","14551","","10.1038/ncomms14551","","","0.71073","MoKα","","0.0622","0.05","","","0.126","0.1377","","","","","","1.05","","","","has coordinates,has disorder","201245","2020-10-21","18:00:00",""
"1547332","17.551","0.006","13.239","0.006","13.305","0.005","90","","123.3","0.03","90","","2584","2","298","2","298","2","","","","","","","","6","C 1 c 1","C -2yc","9","","","","- C18 H16 Cu0.67 N2.67 O4 Se0.67 -","- C18 H16 Cu0.666667 N2.66667 O4 Se0.666667 -","- C108 H96 Cu4 N16 O24 Se4 -","6","1.5","","Heng-Yun Ye; Wei-Qiang Liao; Qionghua Zhou; Yi Zhang; Jinlan Wang; Yu-Meng You; Jin-Yun Wang; Zhong-Ning Chen; Peng-Fei Li; Da-Wei Fu; Songping D. Huang; and Ren-Gen Xiong","Dielectric and ferroelectric sensing based on molecular recognition in Cu(1,10-phenlothroline)2SeO4.(diol) systems","Nature Communications","2017","8","","14551","","10.1038/ncomms14551","","","0.71073","MoKα","","0.0554","0.0465","","","0.1181","0.1264","","","","","","1.025","","","","has coordinates,has disorder","201246","2020-10-21","18:00:00",""
"1547333","10.2889","0.0009","20.9035","0.0018","18.3345","0.0017","90","","102.106","0.002","90","","3855.6","0.6","298","2","298","2","","","","","","","","6","C 1 c 1","C -2yc","9","","","","- C46 H36 Ni O4 P2 S -","- C46 H36 Ni O4 P2 S -","- C184 H144 Ni4 O16 P8 S4 -","4","1","","Yang, Bangpei; Xiong, Shuoyan; Chen, Changle","Manipulation of Polymer Branching Density in Phosphine-Sulfonate Palladium and Nickel Catalyzed Ethylene Polymerization","Polym. Chem.","2017","","","","","10.1039/C7PY01281K","","","0.71073","MoKα","","0.07","0.0539","","","0.1368","0.1457","","","","","","1.046","","","","has coordinates","201252","2020-10-21","18:00:00",""
"1547334","18.0878","0.0016","13.8845","0.0013","17.3793","0.0015","90","","101.127","0.002","90","","4282.6","0.7","298","2","298","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C51 H40 Cl2 Ni O4 P2 S -","- C51 H40 Cl2 Ni O4 P2 S -","- C204 H160 Cl8 Ni4 O16 P8 S4 -","4","1","","Yang, Bangpei; Xiong, Shuoyan; Chen, Changle","Manipulation of Polymer Branching Density in Phosphine-Sulfonate Palladium and Nickel Catalyzed Ethylene Polymerization","Polym. Chem.","2017","","","","","10.1039/C7PY01281K","","","0.71073","MoKα","","0.0993","0.0529","","","0.1254","0.1512","","","","","","0.999","","","","has coordinates","201252","2020-10-21","18:00:00",""
"1547335","10.075","0.0008","11.6829","0.0009","14.3961","0.0012","75.307","0.001","72.583","0.001","84.033","0.002","1563.2","0.2","298","2","298","2","","","","","","","","6","P -1","-P 1","2","","","","- C32 H33 O5 P Pd S2 -","- C32 H33 O5 P Pd S2 -","- C64 H66 O10 P2 Pd2 S4 -","2","1","","Yang, Bangpei; Xiong, Shuoyan; Chen, Changle","Manipulation of Polymer Branching Density in Phosphine-Sulfonate Palladium and Nickel Catalyzed Ethylene Polymerization","Polym. Chem.","2017","","","","","10.1039/C7PY01281K","","","0.71073","MoKα","","0.0707","0.0485","","","0.1087","0.116","","","","","","1.092","","","","has coordinates,has disorder","201252","2020-10-21","18:00:00",""
"1547336","16.1809","0.0012","6.7481","0.0004","16.4245","0.0013","90","","116.917","0.003","90","","1599.1","0.2","150","2","150","2","","","","","","","","3","P 1 21 1","P 2yb","4","","","","- C30 H46 O4 -","- C30 H46 O4 -","- C60 H92 O8 -","2","1","","Sidjui, Lazare S.; Eyong, Kenneth O.; Hull, Kenneth G.; Folefoc, Gabriel N.; Leddet, Valérie M; Herbette, Gaëtan; Ollivier, Evelyne; Taube, Joseph; Klausmeyer, Kevin; Romo, Daniel","Bioactive Seco-Lanostane-Type Triterpenoids from the Roots of Leplaea mayombensis.","Journal of natural products","2017","80","10","2644","2651","10.1021/acs.jnatprod.7b00210","","","0.71073","MoKα","","0.1013","0.0607","","","0.1145","0.1249","","","","","","1.029","","","","has coordinates","202670","2020-10-21","18:00:00",""
"1547337","14.322","0.0013","15.9818","0.0016","20.0611","0.0016","107.703","0.004","90.106","0.004","110.238","0.004","4074.8","0.7","173","2","173.2","","","","","","","","","4","P -1","-P 1","2","","","","- C94 H110 N6 O10 -","- C94 H110 N6 O10 -","- C188 H220 N12 O20 -","2","1","","Gholami, Ghazale; Zhu, Kelong; Baggi, Giorgio; Schott, Eduardo; Zarate, Ximena; Loeb, Stephen J.","Influence of axle length on the rate and mechanism of shuttling in rigid H-shaped [2]rotaxanes","Chem. Sci.","2017","","","","","10.1039/C7SC03736H","","","0.71073","MoKα","","0.2001","0.104","","","0.2151","0.2713","","","","","","1.026","","","","has coordinates,has disorder","201287","2020-10-21","18:00:00",""
"1547338","9.6346","0.0014","10.1658","0.0015","11.207","0.0017","68.379","0.002","82.74","0.002","68.992","0.002","952.6","0.2","173","2","173","","","","","","","","","5","P -1","-P 1","2","","","","- C36 H42 Br4 N4 O8 -","- C36 H42 Br4 N4 O8 -","- C36 H42 Br4 N4 O8 -","1","0.5","","Gholami, Ghazale; Zhu, Kelong; Baggi, Giorgio; Schott, Eduardo; Zarate, Ximena; Loeb, Stephen J.","Influence of axle length on the rate and mechanism of shuttling in rigid H-shaped [2]rotaxanes","Chem. Sci.","2017","","","","","10.1039/C7SC03736H","","","0.71073","MoKα","","0.0438","0.0374","","","0.0995","0.1042","","","","","","1.032","","","","has coordinates","201287","2020-10-21","18:00:00",""
"1547339","12.0595","0.0002","12.5637","0.0003","16.8685","0.0003","74.7825","0.0011","76.6602","0.0012","70.7332","0.0011","2298.72","0.08","173","2","172.99","","","","","","","","","4","P -1","-P 1","2","","","","- C106 H130 N4 O12 -","- C106 H130 N4 O12 -","- C106 H130 N4 O12 -","1","0.5","","Gholami, Ghazale; Zhu, Kelong; Baggi, Giorgio; Schott, Eduardo; Zarate, Ximena; Loeb, Stephen J.","Influence of axle length on the rate and mechanism of shuttling in rigid H-shaped [2]rotaxanes","Chem. Sci.","2017","","","","","10.1039/C7SC03736H","","","1.54178","CuKα","","0.0962","0.0584","","","0.1379","0.157","","","","","","1.037","","","","has coordinates,has disorder","201287","2020-10-21","18:00:00",""
"1547340","14.2079","0.0009","18.9576","0.0011","20.1063","0.0013","97.249","0.003","100.114","0.003","108.536","0.003","4957.8","0.5","170","2","170.01","","","","","","","","","6","P -1","-P 1","2","","","","- C109 H124 B2 F8 N4 O9 -","- C109 H124 B2 F8 N4 O9 -","- C218 H248 B4 F16 N8 O18 -","2","1","","Gholami, Ghazale; Zhu, Kelong; Baggi, Giorgio; Schott, Eduardo; Zarate, Ximena; Loeb, Stephen J.","Influence of axle length on the rate and mechanism of shuttling in rigid H-shaped [2]rotaxanes","Chem. Sci.","2017","","","","","10.1039/C7SC03736H","","","0.71073","MoKα","","0.1744","0.1057","","","0.2079","0.2555","","","","","","1.106","","","","has coordinates,has disorder","201287","2020-10-21","18:00:00",""
"1547341","26.221","0.004","26.221","0.004","60.059","0.012","90","","90","","120","","35761","11","134","2","134","2","","","","","","","","6","R -3 m :H","-R 3 2""","166","","CLMOP-1c","","- C149.6 H188 Cl6 N8 O47.4 Zr12 -","- C108 H72 Cl6 O40 Zr12 -","- C648 H432 Cl36 O240 Zr72 -","6","0.166667","","Nam, Dongsik; Huh, Jihyun; Lee, Jiyoung; Kwak, Ja Hun; Jeong, Hu Young; Choi, Kyungmin; Choe, Wonyoung","Cross-linking Zr-based Metal-Organic Polyhedra via Postsynthetic Polymerization","Chem. Sci.","2017","","","","","10.1039/C7SC03847J","","","0.66","Synchrotron","","0.1439","0.0787","","","0.2562","0.2949","","","","","","0.874","","","","has coordinates","201288","2020-10-21","18:00:00",""
"1547342","36.748","0.004","36.748","0.004","36.748","0.004","90","","90","","90","","49625","9","100","2","100","2","","","","","","","","6","F m -3 m","-F 4 2 3","225","","UMOP-1-NH2","","- C116 H126 Cl6 N8 O40 Zr12 -","- C108 H84 Cl6 N6 O40 Zr12 -","- C864 H672 Cl48 N48 O320 Zr96 -","8","0.0416667","","Nam, Dongsik; Huh, Jihyun; Lee, Jiyoung; Kwak, Ja Hun; Jeong, Hu Young; Choi, Kyungmin; Choe, Wonyoung","Cross-linking Zr-based Metal-Organic Polyhedra via Postsynthetic Polymerization","Chem. Sci.","2017","","","","","10.1039/C7SC03847J","","","0.70001","synchrotron","","0.0968","0.0758","","","0.2723","0.3085","","","","","","1.214","","","","has coordinates","201288","2020-10-21","18:00:00",""
"1547343","15.8084","0.0009","15.8084","0.0009","24.853","0.003","90","","90","","90","","6210.9","0.9","100","2","100","2","","","","","","","","7","I 4/m","-I 4","87","","","","- C48 H112 As8 Ga Na5 O68 Pd12 -","- C48 H40 As8 Ga O52 Pd12 -","- C96 H80 As16 Ga2 O104 Pd24 -","2","0.125","","Lang, Zhongling; Yang, Peng; Lin, Zhengguo; Yan, Li-Kai; Li, Ming-Xing; Carbó, Jorge J.; Kortz, Ulrich; Poblet, Josep M.","Size and Charge Effect of Guest Cations in Formation of Polyoxopalladates: A Theoretical and Experimental Study","Chem. Sci.","2017","","","","","10.1039/C7SC03441E","","","0.71073","MoKα","","0.0665","0.0547","","","0.171","0.1953","","","","","","1.036","","","","has coordinates","201289","2020-10-21","18:00:00",""
"1547344","15.8839","0.0006","15.8839","0.0006","25.1431","0.0019","90","","90","","90","","6343.6","0.6","100","2","100","2","","","","","","","","7","I 4/m","-I 4","87","","","","- C48 H102 As8 La Na5 O63 Pd12 -","- C48 H40 As8 La O48 Pd12 -","- C96 H80 As16 La2 O96 Pd24 -","2","0.125","","Lang, Zhongling; Yang, Peng; Lin, Zhengguo; Yan, Li-Kai; Li, Ming-Xing; Carbó, Jorge J.; Kortz, Ulrich; Poblet, Josep M.","Size and Charge Effect of Guest Cations in Formation of Polyoxopalladates: A Theoretical and Experimental Study","Chem. Sci.","2017","","","","","10.1039/C7SC03441E","","","0.71073","MoKα","","0.0639","0.056","","","0.2025","0.2179","","","","","","1.086","","","","has coordinates","201289","2020-10-21","18:00:00",""
"1547345","13.0985","0.0009","16.2291","0.0012","22.9839","0.0014","103.266","0.003","92.094","0.003","97.633","0.004","4701.9","0.6","100","2","100","2","","","","","","","","7","P -1","-P 1","2","","","","- C42 H122 As6 La Na3 O73 Pd12 -","- C84 H78 As12 La2 Na5.5 O85.5 Pd24 -","- C84 H78 As12 La2 Na5.5 O85.5 Pd24 -","1","0.5","","Lang, Zhongling; Yang, Peng; Lin, Zhengguo; Yan, Li-Kai; Li, Ming-Xing; Carbó, Jorge J.; Kortz, Ulrich; Poblet, Josep M.","Size and Charge Effect of Guest Cations in Formation of Polyoxopalladates: A Theoretical and Experimental Study","Chem. Sci.","2017","","","","","10.1039/C7SC03441E","","","0.71073","MoKα","","0.1092","0.0845","","","0.2376","0.2626","","","","","","1.081","","","","has coordinates","201289","2020-10-21","18:00:00",""
"1547346","15.7992","0.0006","15.7992","0.0006","24.954","0.002","90","","90","","90","","6228.9","0.6","100","2","100","2","","","","","","","","7","I 4/m","-I 4","87","","","","- C48 H100 As8 In Na5 O62 Pd12 -","- C48 H40 As8 In O50 Pd12 -","- C96 H80 As16 In2 O100 Pd24 -","2","0.125","","Lang, Zhongling; Yang, Peng; Lin, Zhengguo; Yan, Li-Kai; Li, Ming-Xing; Carbó, Jorge J.; Kortz, Ulrich; Poblet, Josep M.","Size and Charge Effect of Guest Cations in Formation of Polyoxopalladates: A Theoretical and Experimental Study","Chem. Sci.","2017","","","","","10.1039/C7SC03441E","","","0.71073","MoKα","","0.0647","0.0552","","","0.196","0.2143","","","","","","1.012","","","","has coordinates","201289","2020-10-21","18:00:00",""
"1547357","7.8958","0.0004","16.9193","0.0006","18.2874","0.0008","90","","90","","90","","2443.04","0.19","290.84","0.1","290.84","0.1","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C25 H25 N2 O5 S2 -","- C25 H25 N2 O5 S2 -","- C100 H100 N8 O20 S8 -","4","1","","Zhu, Shi-Ya; Zhang, Yuanzhen; Wang, Wei; Hui, Xin-Ping","Stereoselective Synthesis of Functionalized Tetrahydro-1H-1,2-diazepines by N-Heterocyclic Carbene-Catalyzed [3 + 4] Annulation.","Organic letters","2017","19","19","5380","5383","10.1021/acs.orglett.7b02657","","","0.7107","MoKα","","0.0819","0.0565","","","0.1168","0.1347","","","","","","1.022","","","","has coordinates","202772","2020-10-21","18:00:00",""
"1547358","11.5449","0.0005","34.1483","0.0014","4.9573","0.0002","90","","90","","90","","1954.36","0.14","150","","150","","","","","","","","","4","P 21 21 2","P 2 2ab","18","","","","- C23 H20 N2 O5 -","- C23 H20 N2 O5 -","- C92 H80 N8 O20 -","4","1","","Atmuri, N. D. Prasad; Reilley, David J.; Lubell, William D.","Peptidomimetic Synthesis by Way of Diastereoselective Iodoacetoxylation and Transannular Amidation of 7-9-Membered Lactams.","Organic letters","2017","19","19","5066","5069","10.1021/acs.orglett.7b02275","","x-ray","1.34139","GaKα","","0.0728","0.0481","","","0.0895","0.0982","","","","","","1.05","","","","has coordinates","202814","2020-10-21","18:00:00",""
"1547359","11.3495","0.0005","36.3258","0.0017","4.7864","0.0002","90","","90","","90","","1973.34","0.15","150","","150","","","","","","","","","4","P 21 21 2","P 2 2ab","18","","","","- C23 H22 N2 O5 -","- C23 H22 N2 O5 -","- C92 H88 N8 O20 -","4","1","","Atmuri, N. D. Prasad; Reilley, David J.; Lubell, William D.","Peptidomimetic Synthesis by Way of Diastereoselective Iodoacetoxylation and Transannular Amidation of 7-9-Membered Lactams.","Organic letters","2017","19","19","5066","5069","10.1021/acs.orglett.7b02275","","x-ray","1.34139","GaKα","","0.035","0.0312","","","0.0754","0.0771","","","","","","1.089","","","","has coordinates,has disorder","202814","2020-10-21","18:00:00",""
"1547360","5.3844","0.0004","21.4986","0.0016","8.2956","0.0006","90","","106.438","0.004","90","","921.02","0.12","100","","100","","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C15 H16 I N3 O7 S -","- C15 H16 I N3 O7 S -","- C30 H32 I2 N6 O14 S2 -","2","1","","Atmuri, N. D. Prasad; Reilley, David J.; Lubell, William D.","Peptidomimetic Synthesis by Way of Diastereoselective Iodoacetoxylation and Transannular Amidation of 7-9-Membered Lactams.","Organic letters","2017","19","19","5066","5069","10.1021/acs.orglett.7b02275","","x-ray","1.54178","CuKα","","0.0732","0.0712","","","0.1855","0.1874","","","","","","1.077","","","","has coordinates","202814","2020-10-21","18:00:00",""
"1547361","22.1529","0.0011","9.8472","0.0005","15.6753","0.0008","90","","121.483","0.002","90","","2916.1","0.3","150","","150","","","","","","","","","6","C 1 2 1","C 2y","5","","","","- C27 H29 Cl2 I N2 O7 -","- C27 H29 Cl2 I N2 O7 -","- C108 H116 Cl8 I4 N8 O28 -","4","1","","Atmuri, N. D. Prasad; Reilley, David J.; Lubell, William D.","Peptidomimetic Synthesis by Way of Diastereoselective Iodoacetoxylation and Transannular Amidation of 7-9-Membered Lactams.","Organic letters","2017","19","19","5066","5069","10.1021/acs.orglett.7b02275","","x-ray","1.34139","GaKα","","0.08","0.065","","","0.1419","0.1517","","","","","","1.06","","","","has coordinates","202814","2020-10-21","18:00:00",""
"1547362","5.272","0.0005","14.4113","0.0014","33.766","0.003","90","","90","","90","","2565.4","0.4","100","","100","","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C24 H21 I3 N2 O5 -","- C24 H21 I3 N2 O5 -","- C96 H84 I12 N8 O20 -","4","1","","Atmuri, N. D. Prasad; Reilley, David J.; Lubell, William D.","Peptidomimetic Synthesis by Way of Diastereoselective Iodoacetoxylation and Transannular Amidation of 7-9-Membered Lactams.","Organic letters","2017","19","19","5066","5069","10.1021/acs.orglett.7b02275","","x-ray","1.34139","GaKα","","0.0779","0.0747","","","0.1961","0.1984","","","","","","1.126","","","","has coordinates","202814","2020-10-21","18:00:00",""
"1547363","4.8466","0.0001","11.7928","0.0003","18.3146","0.0005","90","","96.5347","0.0015","90","","1039.97","0.04","150","","150","","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C24 H24 N2 O5 -","- C24 H24 N2 O5 -","- C48 H48 N4 O10 -","2","1","","Atmuri, N. D. Prasad; Reilley, David J.; Lubell, William D.","Peptidomimetic Synthesis by Way of Diastereoselective Iodoacetoxylation and Transannular Amidation of 7-9-Membered Lactams.","Organic letters","2017","19","19","5066","5069","10.1021/acs.orglett.7b02275","","x-ray","1.34139","GaKα","","0.0615","0.044","","","0.0811","0.0861","","","","","","1.142","","","","has coordinates","202814","2020-10-21","18:00:00",""
"1547364","8.9667","0.0002","7.6705","0.0002","16.1715","0.0004","90","","92.338","0.001","90","","1111.33","0.05","150","","150","","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C25 H26 N2 O5 -","- C25 H26 N2 O5 -","- C50 H52 N4 O10 -","2","1","","Atmuri, N. D. Prasad; Reilley, David J.; Lubell, William D.","Peptidomimetic Synthesis by Way of Diastereoselective Iodoacetoxylation and Transannular Amidation of 7-9-Membered Lactams.","Organic letters","2017","19","19","5066","5069","10.1021/acs.orglett.7b02275","","x-ray","1.34139","GaKα","","0.0344","0.0339","","","0.082","0.0826","","","","","","1.096","","","","has coordinates","202814","2020-10-21","18:00:00",""
"1547365","11.2916","0.0013","12.501","0.0013","23.9203","0.0016","88.359","0.008","86.588","0.008","76.689","0.01","3279.6","0.6","100.01","0.1","100.01","0.1","","","","","","","","5","P -1","-P 1","2","","","","- C64 H96 N6 O10 S2 -","- C64 H96 N6 O10 S2 -","- C128 H192 N12 O20 S4 -","2","1","","White, L. J.; Wells, N. J.; Blackholly, L. R.; Shepherd, H. J.; Wilson, B.; Bustone, G. P.; Runacres, T. J.; Hiscock, J. R.","Towards quantifying the role of hydrogen bonding within amphiphile self-association and resultant aggregate formation","Chem. Sci.","2017","","","","","10.1039/C7SC03888G","","","1.54184","CuKα","","0.2097","0.1405","","","0.3336","0.3767","","","","","","1.46","","","","has coordinates,has disorder","201328","2020-10-21","18:00:00",""
"1547366","13.8269","0.0016","14.5451","0.0015","16.5512","0.0016","90","","103.927","0.011","90","","3230.8","0.6","100","0.13","100","0.13","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C31 H48 N4 O4 S2 -","- C31 H48 N4 O4 S2 -","- C124 H192 N16 O16 S8 -","4","1","","White, L. J.; Wells, N. J.; Blackholly, L. R.; Shepherd, H. J.; Wilson, B.; Bustone, G. P.; Runacres, T. J.; Hiscock, J. R.","Towards quantifying the role of hydrogen bonding within amphiphile self-association and resultant aggregate formation","Chem. Sci.","2017","","","","","10.1039/C7SC03888G","","x-ray","1.54184","CuKα","","0.0592","0.0463","","","0.1209","0.1308","","","","","","1.036","","","","has coordinates,has disorder","201328","2020-10-21","18:00:00",""
"1547367","13.1121","0.0018","16.3159","0.0014","13.6871","0.0016","90","","90.027","0.011","90","","2928.2","0.6","100","0.3","100","0.3","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C28 H49 N3 O5 S -","- C28 H49 N3 O5 S -","- C112 H196 N12 O20 S4 -","4","1","","White, L. J.; Wells, N. J.; Blackholly, L. R.; Shepherd, H. J.; Wilson, B.; Bustone, G. P.; Runacres, T. J.; Hiscock, J. R.","Towards quantifying the role of hydrogen bonding within amphiphile self-association and resultant aggregate formation","Chem. Sci.","2017","","","","","10.1039/C7SC03888G","","x-ray","1.54184","CuKα","","0.0657","0.0504","","","0.1336","0.1479","","","","","","1.037","","","","has coordinates,has disorder","201328","2020-10-21","18:00:00",""
"1547368","12.706","0.003","13.689","0.004","19.969","0.004","90","","107.12","0.03","90","","3319.4","1.5","100","0.4","100","0.4","","","","","","","","5","P 1 2/n 1","-P 2yac","13","","","","- C32 H50 N4 O4.5 S2 -","- C32 H50 N4 O4.5 S2 -","- C128 H200 N16 O18 S8 -","4","1","","White, L. J.; Wells, N. J.; Blackholly, L. R.; Shepherd, H. J.; Wilson, B.; Bustone, G. P.; Runacres, T. J.; Hiscock, J. R.","Towards quantifying the role of hydrogen bonding within amphiphile self-association and resultant aggregate formation","Chem. Sci.","2017","","","","","10.1039/C7SC03888G","","","1.54184","CuKα","","0.1212","0.0673","","","0.1267","0.161","","","","","","0.933","","","","has coordinates,has disorder","201328","2020-10-21","18:00:00",""
"1547369","13.6872","0.0016","22.135","0.003","24.856","0.003","90","","94.046","0.004","90","","7511.8","1.6","100","2","100","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C170 H155.5 N18 O3 -","- C170 H155.5 N18 O3 -","- C340 H311 N36 O6 -","2","1","","Galan, Albano; Escudero, Eduardo Carmelo; Ballester, Pablo","Template-directed self-assembly of dynamic covalent capsules with polar interiors","Chem. Sci.","2017","","","","","10.1039/C7SC03731G","","","0.71073","MoKα","","0.2986","0.1397","","","0.2872","0.3541","","","","","","1.328","","","","has coordinates,has disorder","201329","2020-10-21","18:00:00",""
"1547392","25.657","0.0017","6.1824","0.0004","12.8915","0.0007","90","","90","","90","","2044.9","0.2","297","2","297","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C21 H32 O7 -","- C21 H32 O7 -","- C84 H128 O28 -","4","1","","Zhou, Junfei; Sun, Na; Zhang, Hanqi; Zheng, Guijuan; Liu, Junjun; Yao, Guangmin","Rhodomollacetals A-C, PTP1B Inhibitory Diterpenoids with a 2,3:5,6-Di-seco-grayanane Skeleton from the Leaves of Rhododendron molle.","Organic letters","2017","19","19","5352","5355","10.1021/acs.orglett.7b02633","","","1.54178","CuKα","","0.0876","0.0847","","","0.2608","0.2636","","","","","","1.045","","","","has coordinates","202774","2020-10-21","18:00:00",""
"1547393","12.1637","0.0003","6.9628","0.0002","13.0151","0.0004","90","","104.05","0.001","90","","1069.32","0.05","298","2","298","2","","","","","","","","3","P 1 21 1","P 2yb","4","","","","- C22 H34 O7 -","- C22 H34 O7 -","- C44 H68 O14 -","2","1","","Zhou, Junfei; Sun, Na; Zhang, Hanqi; Zheng, Guijuan; Liu, Junjun; Yao, Guangmin","Rhodomollacetals A-C, PTP1B Inhibitory Diterpenoids with a 2,3:5,6-Di-seco-grayanane Skeleton from the Leaves of Rhododendron molle.","Organic letters","2017","19","19","5352","5355","10.1021/acs.orglett.7b02633","","","1.54178","CuKα","","0.0333","0.0313","","","0.0813","0.0831","","","","","","1.041","","","","has coordinates","202774","2020-10-21","18:00:00",""
"1547394","10.1934","0.0009","11.1437","0.001","19.3947","0.0018","90","","90","","90","","2203.1","0.3","223","2","223","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C23 H27 F N2 O3 -","- C23 H27 F N2 O3 -","- C92 H108 F4 N8 O12 -","4","1","","Paladhi, Sushovan; Park, Sang Yeon; Yang, Jung Woon; Song, Choong Eui","Asymmetric Synthesis of α-Fluoro-β-Amino-oxindoles with Tetrasubstituted C-F Stereogenic Centers via Cooperative Cation-Binding Catalysis.","Organic letters","2017","19","19","5336","5339","10.1021/acs.orglett.7b02628","","","0.71073","MoKα","","0.0985","0.0503","","","0.0925","0.1106","","","","","","1.072","","","","has coordinates","202777","2020-10-21","18:00:00",""
"1547395","8.0793","0.0002","9.9652","0.0003","13.6943","0.0003","93.198","0.002","105.789","0.002","91.377","0.002","1058.42","0.05","293","2","293","2","","","","","","","","6","P -1","-P 1","2","","","","- C24 H18 F3 N O3 S -","- C24 H18 F3 N O3 S -","- C48 H36 F6 N2 O6 S2 -","2","1","","Liu, Bingxian; Hu, Panjie; Zhang, Ying; Li, Yunyun; Bai, Dachang; Li, Xingwei","Rh(III)-Catalyzed Diastereodivergent Spiroannulation of Cyclic Imines with Activated Alkenes.","Organic letters","2017","19","19","5402","5405","10.1021/acs.orglett.7b02678","","","1.54184","CuKα","","0.0606","0.0582","","","0.1556","0.1598","","","","","","1.042","","","","has coordinates","202779","2020-10-21","18:00:00",""
"1547396","11.3446","0.0004","15.1444","0.0005","13.1535","0.0004","90","","104.43","0.003","90","","2188.57","0.13","293","2","293","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C24 H18 F3 N O3 S -","- C24 H18 F3 N O3 S -","- C96 H72 F12 N4 O12 S4 -","4","1","","Liu, Bingxian; Hu, Panjie; Zhang, Ying; Li, Yunyun; Bai, Dachang; Li, Xingwei","Rh(III)-Catalyzed Diastereodivergent Spiroannulation of Cyclic Imines with Activated Alkenes.","Organic letters","2017","19","19","5402","5405","10.1021/acs.orglett.7b02678","","","1.54184","CuKα","","0.0735","0.0595","","","0.1596","0.1727","","","","","","1.028","","","","has coordinates","202779","2020-10-21","18:00:00",""
"1547397","10.6461","0.0011","7.0696","0.0006","23.381","0.003","90","","95.897","0.009","90","","1750.4","0.3","293","2","293","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C22 H17 N O3 S -","- C22 H17 N O3 S -","- C88 H68 N4 O12 S4 -","4","1","","Liu, Bingxian; Hu, Panjie; Zhang, Ying; Li, Yunyun; Bai, Dachang; Li, Xingwei","Rh(III)-Catalyzed Diastereodivergent Spiroannulation of Cyclic Imines with Activated Alkenes.","Organic letters","2017","19","19","5402","5405","10.1021/acs.orglett.7b02678","","","0.71073","MoKα","","0.1922","0.0758","","","0.0852","0.1136","","","","","","0.915","","","","has coordinates","202779","2020-10-21","18:00:00",""
"1547398","6.8529","0.0003","11.4799","0.0004","26.6681","0.0009","90","","90","","90","","2098","0.14","293","2","293.15","","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C23 H29 B O2 -","- C23 H29 B O2 -","- C92 H116 B4 O8 -","4","1","","Chen, Chenhui; Shen, Xuzhong; Chen, Jianhui; Hong, Xin; Lu, Zhan","Iron-Catalyzed Hydroboration of Vinylcyclopropanes.","Organic letters","2017","19","19","5422","5425","10.1021/acs.orglett.7b02691","","","1.54184","CuKα","","0.0665","0.0572","","","0.1578","0.1687","","","","","","1.074","","","","has coordinates,has disorder","202795","2020-10-21","18:00:00",""
"1547399","11.626","0.005","13.194","0.005","13.907","0.005","107.517","0.013","91.291","0.013","105.046","0.013","1952.8","1.3","296","2","296","2","","","","","","","","5","P -1","-P 1","2","","","","- C23 H18 Br N O3 -","- C23 H18 Br N O3 -","- C92 H72 Br4 N4 O12 -","4","2","","Zhang, Yuwen; Tong, Xiaofeng","Construction of Complex 1,3-Cyclohexadienes via Phosphine-Catalyzed (4 + 2) Annulations of δ-Acetoxy Allenoates and Ketones.","Organic letters","2017","19","19","5462","5465","10.1021/acs.orglett.7b02787","","","0.71073","MoKα","","0.1159","0.0689","","","0.1922","0.2358","","","","","","1.046","","","","has coordinates","214153","2020-10-21","18:00:00",""
"1547400","7.3638","0.0016","8.8975","0.0019","11.801","0.003","68.539","0.004","84.494","0.004","78.362","0.004","704.6","0.3","296","","296","","","","","","","","","3","P -1","-P 1","2","","","","- C15 H20 O4 -","- C15 H20 O4 -","- C30 H40 O8 -","2","1","","Zhang, Yuwen; Tong, Xiaofeng","Construction of Complex 1,3-Cyclohexadienes via Phosphine-Catalyzed (4 + 2) Annulations of δ-Acetoxy Allenoates and Ketones.","Organic letters","2017","19","19","5462","5465","10.1021/acs.orglett.7b02787","","","0.71073","MoKα","","0.1194","0.0536","","","0.1251","0.1537","","","","","","1.002","","","","has coordinates","202798","2020-10-21","18:00:00",""
"1547401","14.242","0.0017","15.1637","0.0019","15.545","0.002","61.832","0.004","68.911","0.004","89.354","0.004","2709.5","0.6","150","2","150","2","","","","","","","","5","P -1","-P 1","2","","","","- C31 H23 Br2 N3 Pd -","- C31 H23 Br2 N3 Pd -","- C124 H92 Br8 N12 Pd4 -","4","2","","Karthik, Shanmugam; Gandhi, Thirumanavelan","Palladium(II)/N-Heterocyclic Carbene-Catalyzed Direct C-H Acylation of Heteroarenes with N-Acylsaccharins.","Organic letters","2017","19","19","5486","5489","10.1021/acs.orglett.7b02877","","","0.71073","MoKα","","0.1225","0.0886","","","0.2286","0.2464","","","","","","1.038","","","","has coordinates","202810","2020-10-21","18:00:00",""
"1547402","14.021","0.002","14.021","0.002","15.713","0.002","90","","90","","120","","2675.1","0.6","293","2","293","2","","","","","","","","5","P 6/m c c","-P 6 2c","192","","Lutetium Copper Oxydiacetate, hydrate","","- C24 H30 Cu3 Lu2 O36 -","- C24 H30 Cu3 Lu2 O36 -","- C48 H60 Cu6 Lu4 O72 -","2","0.0833333","","Cancino, Patricio; Paredes-Garcia, Veronica; Torres, Julia; Martínez, Sebastián; Kremer, Carlos; Spodine, Evgenia","{[Cu3Lu2(ODA)6(H2O)6]•10H2O}n . First heterometallic framework based on copper(II)/lutetium(III) for the catalytic oxidation of olefins and aromatic benzylic substrates.","Catal. Sci. Technol.","2017","","","","","10.1039/C7CY01385J","","","0.71073","MoKα","","0.0394","0.0224","","","0.0473","0.059","","","","","","1.132","","","","has coordinates","201391","2020-10-21","18:00:00",""
"1547403","12.463","0.002","13.493","0.003","15.328","0.003","64.971","0.005","73.14","0.005","82.198","0.006","2234.9","0.8","173","2","173","2","","","","","","","","4","P -1","-P 1","2","","","","- C44 H58 Br2 S4 -","- C44 H58 Br2 S4 -","- C88 H116 Br4 S8 -","2","1","","Mayorga Burrezo, Paula; Domínguez, Rocío; Zafra, José L.; Pappenfus, Ted M.; de la Cruz, Pilar; Welte, Lorena; Janzen, Daron Edward; lopez navarrete, juan teodomiro; Langa, Fernando; Casado Cordón, Juan","Oligomers of Cyclopentadithiophene-Vinylene in Aromatic and Quinoidal Versions and Redox Species with Intermediate Forms","Chem. Sci.","2017","","","","","10.1039/C7SC02756G","","","0.71075","MoKα","","0.0892","0.0543","","","0.1248","0.1433","","","","","","1.028","","","","has coordinates,has disorder","201392","2020-10-21","18:00:00",""
"1547404","11.389","0.0006","34.79","0.002","14.0047","0.0008","90","","92.144","0.003","90","","5545.1","0.5","100","2","100","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C36 H90 Ce Li N6 O9 Si6 -","- C36 H90 Ce Li N6 O9 Si6 -","- C144 H360 Ce4 Li4 N24 O36 Si24 -","4","1","","Assefa, Mikiyas; Wu, Guang; Hayton, Trevor W.","Synthesis of a Terminal Ce(IV) Oxo Complex by Photolysis of a Ce(III) Nitrate Complex","Chem. Sci.","2017","","","","","10.1039/C7SC03715E","","","0.71073","MoKα","","0.0481","0.0391","","","0.0768","0.0796","","","","","","1.107","","","","has coordinates","201393","2020-10-21","18:00:00",""
"1547405","15.06","0.002","15.339","0.003","25.158","0.004","89.555","0.005","89.167","0.005","84.713","0.005","5786.2","1.6","100","2","100","2","","","","","","","","7","P -1","-P 1","2","","","","- C38.25 H86 Ce1.5 Li N5 O8.25 Si6 -","- C38.25 H77 Ce1.5 Li N5 O8.25 Si6 -","- C153 H308 Ce6 Li4 N20 O33 Si24 -","4","2","","Assefa, Mikiyas; Wu, Guang; Hayton, Trevor W.","Synthesis of a Terminal Ce(IV) Oxo Complex by Photolysis of a Ce(III) Nitrate Complex","Chem. Sci.","2017","","","","","10.1039/C7SC03715E","","","0.71073","MoKα","","0.1612","0.0737","","","0.1449","0.1814","","","","","","0.99","","","","has coordinates","201393","2020-10-21","18:00:00",""
"1547406","16.2803","0.0014","15.8306","0.0016","22.128","0.002","90","","109.57","0.005","90","","5373.5","0.9","100","2","100","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C36 H90 Ce Li N5 O7 Si6 -","- C36 H90 Ce Li N5 O7 Si6 -","- C144 H360 Ce4 Li4 N20 O28 Si24 -","4","1","","Assefa, Mikiyas; Wu, Guang; Hayton, Trevor W.","Synthesis of a Terminal Ce(IV) Oxo Complex by Photolysis of a Ce(III) Nitrate Complex","Chem. Sci.","2017","","","","","10.1039/C7SC03715E","","","0.71073","MoKα","","0.1773","0.078","","","0.1493","0.1866","","","","","","0.981","","","","has coordinates","201393","2020-10-21","18:00:00",""
"1547407","19.3389","0.0007","15.0467","0.0005","21.7679","0.0008","90","","107.901","0.002","90","","6027.5","0.4","100","2","100","2","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C39 H99 Ce Li N5 O7 Si7 -","- C39 H99 Ce Li N5 O7 Si7 -","- C156 H396 Ce4 Li4 N20 O28 Si28 -","4","1","","Assefa, Mikiyas; Wu, Guang; Hayton, Trevor W.","Synthesis of a Terminal Ce(IV) Oxo Complex by Photolysis of a Ce(III) Nitrate Complex","Chem. Sci.","2017","","","","","10.1039/C7SC03715E","","","0.71073","MoKα","","0.0736","0.0469","","","0.1176","0.1312","","","","","","1.076","","","","has coordinates","201393","2020-10-21","18:00:00",""
"1547453","9.375","0.0003","24.889","0.0007","32.6086","0.001","91.535","0.002","96.019","0.002","96.156","0.002","7517.6","0.4","451","2","451","2","","","","","","","","5","P -1","-P 1","2","","","","- C72 H81 I3 P6 Pd3 -","- C72 H81 I3 P6 Pd3 -","- C288 H324 I12 P24 Pd12 -","4","2","","Hasegawa, Hirokazu; Nagata, Yuuya; Terao, Ken; Suginome, Michinori","Synthesis and Solution Properties of a Rigid Helical Star Polymer: Three-Arm Star Poly(quinoxaline-2,3-diyl)","Macromolecules","2017","50","19","7491","","10.1021/acs.macromol.7b01797","","","0.78207","","","0.162","0.1136","","","0.3027","0.3338","","","","","","1.028","","","","has coordinates","203994","2020-10-21","18:00:00",""
"1547454","9.60806","0.00017","11.4151","0.0002","20.1805","0.0014","90","","90","","90","","2213.34","0.16","123","","123","","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C25 H23 N O7 S -","- C25 H23 N O7 S -","- C100 H92 N4 O28 S4 -","4","1","","Takizawa, Shinobu; Sako, Makoto; Abozeid, Mohamed Ahmed; Kishi, Kenta; Wathsala, H. D. P.; Hirata, Shuichi; Murai, Kenichi; Fujioka, Hiromichi; Sasai, Hiroaki","Enantio- and Diastereoselective Betti/aza-Michael Sequence: Single Operated Preparation of Chiral 1,3-Disubstituted Isoindolines.","Organic letters","2017","19","19","5426","5429","10.1021/acs.orglett.7b02693","","","1.54187","CuKα","","0.0275","0.027","","","0.0695","0.0698","","","","","","1.076","","","","has coordinates","202782","2020-10-21","18:00:00",""
"1547455","7.5979","0.0016","16.309","0.004","13.633","0.003","90","","91.809","0.019","90","","1688.5","0.7","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C19 H16 F5 N O2 -","- C19 H16 F5 N O2 -","- C76 H64 F20 N4 O8 -","4","1","","Zhang, Yunxiao; Yan, Weitao; Wang, Yukang; Weng, Zhiqiang","Copper-Catalyzed Synthesis of Indol-3-yl α-(Difluoromethyl)-α-(trifluoromethyl)carbinols: Construction of Difluoromethylated sp(3) Carbon Centers.","Organic letters","2017","19","19","5478","5481","10.1021/acs.orglett.7b02828","","","0.71073","MoKα","","0.0928","0.0619","","","0.1803","0.201","","","","","","1.075","","","","has coordinates","208163","2020-10-21","18:00:00",""
"1547456","17.687","0.003","10.7866","0.0019","7.8181","0.0013","90","","92.685","0.003","90","","1489.9","0.4","296","2","296","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C16 H15 F2 N3 O -","- C16 H15 F2 N3 O -","- C64 H60 F8 N12 O4 -","4","1","","Zhang, Yunxiao; Yan, Weitao; Wang, Yukang; Weng, Zhiqiang","Copper-Catalyzed Synthesis of Indol-3-yl α-(Difluoromethyl)-α-(trifluoromethyl)carbinols: Construction of Difluoromethylated sp(3) Carbon Centers.","Organic letters","2017","19","19","5478","5481","10.1021/acs.orglett.7b02828","","","0.71073","MoKα","","0.0682","0.0592","","","0.1572","0.1678","","","","","","1.064","","","","has coordinates","202815","2020-10-21","18:00:00",""
"1547457","9.4167","0.0006","14.0835","0.0008","17.8245","0.001","80.071","0.002","89.817","0.002","79.781","0.002","2290.6","0.2","100","2","100","2","","","","","","","","3","P -1","-P 1","2","","","","- C24 H30 N8 -","- C24 H30 N8 -","- C96 H120 N32 -","4","2","","Etayo, Pablo; Escudero, Eduardo Carmelo; Pericas, Miquel A.","5,5’-Bistriazoles as axially chiral, multidentate ligands: Synthesis, configurational stability and catalytic application of their scandium(III) complexes","Catal. Sci. Technol.","2017","","","","","10.1039/C7CY01518F","","","0.71073","MoKα","","0.0632","0.0444","","","0.1212","0.1343","","","","","","1.03","","","","has coordinates","201485","2020-10-21","18:00:00",""
"1547458","30.0913","0.0006","10.7187","0.0001","23.0764","0.0005","90","","116.049","0.002","90","","6687","0.2","100","2","100","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C26 H32 F6 N8 O6 S2 -","- C26 H32 F6 N8 O6 S2 -","- C208 H256 F48 N64 O48 S16 -","8","1","","Etayo, Pablo; Escudero, Eduardo Carmelo; Pericas, Miquel A.","5,5’-Bistriazoles as axially chiral, multidentate ligands: Synthesis, configurational stability and catalytic application of their scandium(III) complexes","Catal. Sci. Technol.","2017","","","","","10.1039/C7CY01518F","","","0.7107","MoKα","","0.0468","0.0378","","","0.1013","0.106","","","","","","1.024","","","","has coordinates,has disorder","201485","2020-10-21","18:00:00",""
"1547459","15.7795","0.0013","8.7261","0.0008","21.0431","0.0019","90","","101.069","0.003","90","","2843.6","0.4","100","2","100","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C18 H16 N2 O2 -","- C18 H16 N2 O2 -","- C144 H128 N16 O16 -","8","1","","Etayo, Pablo; Escudero, Eduardo Carmelo; Pericas, Miquel A.","5,5’-Bistriazoles as axially chiral, multidentate ligands: Synthesis, configurational stability and catalytic application of their scandium(III) complexes","Catal. Sci. Technol.","2017","","","","","10.1039/C7CY01518F","","","0.71073","MoKα","","0.0699","0.0537","","","0.1419","0.153","","","","","","1.047","","","","has coordinates","201485","2020-10-21","18:00:00",""
"1547460","10.335","0.0003","31.4198","0.001","9.5959","0.0003","90","","90.414","0.002","90","","3115.93","0.17","100","2","100","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C19 H15 Cl N2 O2 -","- C19 H15 Cl N2 O2 -","- C152 H120 Cl8 N16 O16 -","8","2","","Etayo, Pablo; Escudero, Eduardo Carmelo; Pericas, Miquel A.","5,5’-Bistriazoles as axially chiral, multidentate ligands: Synthesis, configurational stability and catalytic application of their scandium(III) complexes","Catal. Sci. Technol.","2017","","","","","10.1039/C7CY01518F","","","0.7107","MoKα","","0.0598","0.0513","","","0.1102","0.1129","","","","","","1.059","","","","has coordinates","201485","2020-10-21","18:00:00",""
"1547461","10.14276","0.00019","10.2202","0.0003","11.6711","0.0002","79.961","0.002","89.7958","0.0015","87.646","0.002","1190.3","0.05","100","2","100","2","","","","","","","","4","P -1","-P 1","2","","","","- C22 H28 Cl2 N8 -","- C22 H28 Cl2 N8 -","- C44 H56 Cl4 N16 -","2","1","","Etayo, Pablo; Escudero, Eduardo Carmelo; Pericas, Miquel A.","5,5’-Bistriazoles as axially chiral, multidentate ligands: Synthesis, configurational stability and catalytic application of their scandium(III) complexes","Catal. Sci. Technol.","2017","","","","","10.1039/C7CY01518F","","","0.7107","MoKα","","0.0445","0.0396","","","0.1096","0.1121","","","","","","1.055","","","","has coordinates,has disorder","201485","2020-10-21","18:00:00",""
"1547462","19.4045","0.0005","7.14236","0.00016","30.4827","0.0007","90","","90","","90","","4224.72","0.17","100","2","100","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C29 H22 N2 O2 -","- C29 H22 N2 O2 -","- C232 H176 N16 O16 -","8","1","","Etayo, Pablo; Escudero, Eduardo Carmelo; Pericas, Miquel A.","5,5’-Bistriazoles as axially chiral, multidentate ligands: Synthesis, configurational stability and catalytic application of their scandium(III) complexes","Catal. Sci. Technol.","2017","","","","","10.1039/C7CY01518F","","","0.7107","MoKα","","0.0536","0.0437","","","0.1161","0.1227","","","","","","1.05","","","","has coordinates","201485","2020-10-21","18:00:00",""
"1547463","9.8771","0.001","10.6875","0.001","36.521","0.004","90","","96.428","0.003","90","","3831","0.7","100","2","100","2","","","","","","","","5","P 1 n 1","P -2yac","7","","","","- C24 H17 F3 N2 O2 -","- C24 H17 F3 N2 O2 -","- C192 H136 F24 N16 O16 -","8","4","","Etayo, Pablo; Escudero, Eduardo Carmelo; Pericas, Miquel A.","5,5’-Bistriazoles as axially chiral, multidentate ligands: Synthesis, configurational stability and catalytic application of their scandium(III) complexes","Catal. Sci. Technol.","2017","","","","","10.1039/C7CY01518F","","","0.71073","MoKα","","0.0938","0.085","","","0.2226","0.2302","","","","","","1.076","","","","has coordinates,has disorder","201485","2020-10-21","18:00:00",""
"1547464","11.5272","0.0007","12.3657","0.0007","12.7398","0.0008","100.159","0.002","112.561","0.002","92.319","0.002","1638.97","0.17","100","2","100","2","","","","","","","","4","P -1","-P 1","2","","","","- C20 H18 N2 O2 -","- C20 H18 N2 O2 -","- C80 H72 N8 O8 -","4","2","","Etayo, Pablo; Escudero, Eduardo Carmelo; Pericas, Miquel A.","5,5’-Bistriazoles as axially chiral, multidentate ligands: Synthesis, configurational stability and catalytic application of their scandium(III) complexes","Catal. Sci. Technol.","2017","","","","","10.1039/C7CY01518F","","","0.7107","MoKα","","0.0636","0.0473","","","0.1161","0.1259","","","","","","1.042","","","","has coordinates,has disorder","201485","2020-10-21","18:00:00",""
"1547465","11.9737","0.0002","15.384","0.0003","21.9422","0.0004","70.396","0.002","80.794","0.001","74.763","0.001","3662.21","0.12","90","2","90","2","","","","","","","","4","P -1","-P 1","2","","","","- C96 H82 N6 O5 -","- C96 H82 N6 O5 -","- C192 H164 N12 O10 -","2","1","","Etayo, Pablo; Escudero, Eduardo Carmelo; Pericas, Miquel A.","5,5’-Bistriazoles as axially chiral, multidentate ligands: Synthesis, configurational stability and catalytic application of their scandium(III) complexes","Catal. Sci. Technol.","2017","","","","","10.1039/C7CY01518F","","","0.7107","MoKα","","0.064","0.0465","","","0.1206","0.1301","","","","","","1.026","","","","has coordinates,has disorder","201485","2020-10-21","18:00:00",""
"1547466","9.1959","0.0002","11.7982","0.0003","21.0279","0.0006","90","","100.29","0.003","90","","2244.73","0.1","90","2","90","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C25 H23 Cl N2 O3 S -","- C25 H23 Cl N2 O3 S -","- C100 H92 Cl4 N8 O12 S4 -","4","1","","Etayo, Pablo; Escudero, Eduardo Carmelo; Pericas, Miquel A.","5,5’-Bistriazoles as axially chiral, multidentate ligands: Synthesis, configurational stability and catalytic application of their scandium(III) complexes","Catal. Sci. Technol.","2017","","","","","10.1039/C7CY01518F","","","0.7107","MoKα","","0.0503","0.0395","","","0.0991","0.1045","","","","","","1.02","","","","has coordinates","201485","2020-10-21","18:00:00",""
"1547467","19.222","0.0008","19.8976","0.0008","21.4243","0.0009","116.588","0.002","95.458","0.002","95.019","0.002","7216.1","0.5","173","2","173","","","","","","","","","4","P -1","-P 1","2","","","","- C256 H288 Au52 S32 -","- C256 H188 Au52 S32 -","- C256 H188 Au52 S32 -","1","0.5","","Zhuang, Shengli; Liao, Lingwen; Li, Man-Bo; Yao, Chuanhao; Zhao, Yan; Dong, Hongwei; Li, Jin; Deng, Haiteng; Li, Lingling; Wu, Zhikun","The fcc structure isomerization in gold nanoclusters","Nanoscale","2017","","","","","10.1039/C7NR05239A","","","1.54178","CuKα","","0.1836","0.1352","","","0.3636","0.4084","","","","","","1.458","","","","has coordinates","201492","2020-10-21","18:00:00",""
"1547468","34.3699","0.0008","36.2763","0.0009","26.3392","0.0006","90","","95.223","0.002","90","","32703.7","1.3","150","2","150","","","","","","","","","8","C 1 2/c 1","-C 2yc","15","","","","- C164 H232 Ag51 Br6 F18 P8 S16 Sb3 -","- C164 H232 Ag51 Br6 F18 P8 S16 Sb3 -","- C656 H928 Ag204 Br24 F72 P32 S64 Sb12 -","4","0.5","","Zou, Xuejuan; Jin, Shan; Du, Wenjun; Li, Yangfeng; Wang, Shuxin; li, peng; Zhu, Manzhou","Multi-Ligand-Directed Synthesis of Chiral Silver Nanoclusters","Nanoscale","2017","","","","","10.1039/C7NR06338E","","","0.71073","MoKα","","0.0996","0.0657","","","0.1951","0.2216","","","","","","1.045","","","","has coordinates","209503","2020-10-21","18:00:00",""
"1547469","24.4964","0.0003","36.3669","0.0005","38.1702","0.0005","102.631","0.001","98.305","0.001","100.372","0.001","32035","0.8","150","2","150","","","","","","","","","8","P -1","-P 1","2","","","","- C256 H303 Ag32 Cl10 F17.96 P10 S13 Sb3 -","- C256 H303 Ag32 Cl10 F17.9594 P10 S13 Sb3 -","- C1024 H1212 Ag128 Cl40 F71.8376 P40 S52 Sb12 -","4","2","","Zou, Xuejuan; Jin, Shan; Du, Wenjun; Li, Yangfeng; Wang, Shuxin; li, peng; Zhu, Manzhou","Multi-Ligand-Directed Synthesis of Chiral Silver Nanoclusters","Nanoscale","2017","","","","","10.1039/C7NR06338E","","","0.71073","MoKα","","0.198","0.114","","","0.3027","0.3656","","","","","","1.061","","","","has coordinates","201494","2020-10-21","18:00:00",""
"1547470","8.404","0.002","13.281","0.003","11.867","0.003","90","","102.612","0.005","90","","1292.6","0.5","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C13 H6 F5 N3 O3 -","- C13 H6 F5 N3 O3 -","- C52 H24 F20 N12 O12 -","4","1","","Roy Chowdhury, Additi; Mondal, Amita; Roy, Biswajit Gopal; K, Jagadeesh C. Bose; Mukhopadhyay, Sudit; Banerjee, Priyabrata","Hydrazine functionalized probes for chromogenic and fluorescent ratiometric sensing of pH and F−: experimental and DFT studies","Photochem. Photobiol. Sci.","2017","","","","","10.1039/C7PP00246G","","","0.71073","MoKα","","0.0839","0.0751","","","0.2086","0.2322","","","","","","1.22","","","","has coordinates","201498","2020-10-21","18:00:00",""
"1547471","9.1588","0.0009","10.6738","0.0011","11.2243","0.0011","96.254","0.002","90.635","0.002","93.181","0.002","1088.91","0.19","100","2","100","2","","","","","","","acetonitrile","5","P -1","-P 1","2","","","","- C22 H11 F10 N5 O2 -","- C22 H11 F10 N5 O2 -","- C44 H22 F20 N10 O4 -","2","1","","Roy Chowdhury, Additi; Mondal, Amita; Roy, Biswajit Gopal; K, Jagadeesh C. Bose; Mukhopadhyay, Sudit; Banerjee, Priyabrata","Hydrazine functionalized probes for chromogenic and fluorescent ratiometric sensing of pH and F−: experimental and DFT studies","Photochem. Photobiol. Sci.","2017","","","","","10.1039/C7PP00246G","","","0.71073","MoKα","","0.0385","0.0332","","","0.0892","0.0932","","","","","","1.028","","","","has coordinates","201499","2020-10-21","18:00:00",""
"1547489","12.1023","0.0003","8.2733","0.0002","13.0573","0.0004","90","","105.335","0.002","90","","1260.83","0.06","200","2","200","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C15 H14 O4 -","- C15 H14 O4 -","- C60 H56 O16 -","4","1","","Hsu, Day-Shin; Yeh, Jen-Yu; Cheng, Chiao-Yun","Total Synthesis of the Proposed Structure of (±)-Nidemone.","Organic letters","2017","19","20","5549","5552","10.1021/acs.orglett.7b02645","","","0.71073","MoKα","","0.0826","0.0461","","","0.1019","0.1293","","","","","","1.183","","","","has coordinates","202823","2020-10-21","18:00:00",""
"1547490","9.8299","0.0015","14.231","0.002","17.386","0.003","102.214","0.002","101.847","0.003","98.259","0.003","2281.5","0.6","200","2","200","2","","","","","","","","6","P -1","-P 1","2","","","","- C74 H122 Cl10 I4 P2 Pd2 -","- C68 H110 Cl4 I4 P2 Pd2 -","- C68 H110 Cl4 I4 P2 Pd2 -","1","0.5","","Krause, Sarah B.; McAtee, Jesse R.; Yap, Glenn P. A.; Watson, Donald A.","A Bench-Stable, Single-Component Precatalyst for Silyl-Heck Reactions.","Organic letters","2017","19","20","5641","5644","10.1021/acs.orglett.7b02807","","","0.71073","MoKα","","0.0442","0.0309","","","0.0693","0.0779","","","","","","1.037","","","","has coordinates","202824","2020-10-21","18:00:00",""
"1547491","13.9909","0.0007","21.5456","0.0011","10.7208","0.0005","90","","105.505","0.001","90","","3114.1","0.3","200","2","200","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C64 H102 P2 Pd -","- C64 H102 P2 Pd -","- C128 H204 P4 Pd2 -","2","0.5","","Krause, Sarah B.; McAtee, Jesse R.; Yap, Glenn P. A.; Watson, Donald A.","A Bench-Stable, Single-Component Precatalyst for Silyl-Heck Reactions.","Organic letters","2017","19","20","5641","5644","10.1021/acs.orglett.7b02807","","","0.71073","MoKα","","0.0497","0.0387","","","0.094","0.1029","","","","","","1.054","","","","has coordinates,has disorder","202824","2020-10-21","18:00:00",""
"1547492","19.7299","0.0001","19.7299","0.0001","30.7413","0.0002","90","","90","","120","","10363.4","0.1","153","2","153","2","","","","","","","","4","R 3 :H","R 3","146","","","","- C25 H29 N O5 -","- C25 H29 N O5 -","- C450 H522 N18 O90 -","18","2","","Cui, Hui; Lin, Yun; Luo, Mingchu; Lu, Yongjun; Huang, Xishan; She, Zhigang","Diaporisoindoles A-C: Three Isoprenylisoindole Alkaloid Derivatives from the Mangrove Endophytic Fungus Diaporthe sp. SYSU-HQ3.","Organic letters","2017","19","20","5621","5624","10.1021/acs.orglett.7b02748","","","1.54178","CuKα","","0.0301","0.0294","","","0.0804","0.0811","","","","","","1.041","","","","has coordinates","202827","2020-10-21","18:00:00",""
"1547493","10.0626","0.0008","10.0626","0.0008","10.0626","0.0008","90","","90","","90","","1018.9","0.14","90","2","90","2","","","","","","","","4","P m -3 n","-P 4n 2 3","223","","","","- Ba8 Cu14 Ge6 P26 -","- Ba8 Cu13.988 Ge6.008 P25.998 -","- Ba8 Cu13.988 Ge6.008 P25.998 -","1","0.0208333","","Wang, Jian; Lebedev, Oleg I.; Lee, Kathleen; Dolyniuk, Juli-Anna; Klavins, Peter; Bux, Sabah K.; Kovnir, Kirill","High-efficiency Thermoelectric Ba8Cu14Ge6P26: Bridging the gap between tetrel-based and tetrel-free clathrates","Chem. Sci.","2017","","","","","10.1039/C7SC03482B","","","0.71073","MoKα","","0.0189","0.0164","","","0.0309","0.0317","","","","","","1.149","","","","has coordinates","201539","2020-10-21","18:00:00",""
"1547494","12.777","0.003","19.699","0.004","18.981","0.004","90","","106.55","0.03","90","","4579.5","1.9","173.15","","173.15","","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C56 H48 Br2 N2 Ni -","- C56 H48 Br2 N2 Ni -","- C224 H192 Br8 N8 Ni4 -","4","1","","Mahmood, Qaiser; Zemg, Yanning; Yue, Erlin; Solan, Gregory; Liang, Tongling; Sun, Wen Hua","Ultra-high molecular weight elastomeric polyethylene using an electronically and sterically enhanced nickel catalyst","Polym. Chem.","2017","","","","","10.1039/C7PY01606A","","","0.71073","MoKα","","0.0486","0.0464","","","0.1158","0.1175","","","","","","1.139","","","","has coordinates","201549","2020-10-21","18:00:00",""
"1547495","29.579","0.004","29.579","0.004","32.113","0.006","90","","90","","120","","24332","7","173.15","","173.15","","","","","","","","","5","R -3","-R 3","148","","","","- C56 H48 Cl2 N2 Ni -","- C56 H48 Cl2 N2 Ni -","- C1008 H864 Cl36 N36 Ni18 -","18","","","Mahmood, Qaiser; Zemg, Yanning; Yue, Erlin; Solan, Gregory; Liang, Tongling; Sun, Wen Hua","Ultra-high molecular weight elastomeric polyethylene using an electronically and sterically enhanced nickel catalyst","Polym. Chem.","2017","","","","","10.1039/C7PY01606A","","","0.71073","MoKα","","0.1011","0.0868","","","0.2477","0.2621","","","","","","1.099","","","","has coordinates","201549","2020-10-21","18:00:00",""
"1547496","10.452","0.002","19.191","0.004","12.944","0.003","90","","91.09","0.03","90","","2595.9","0.9","173.15","","173.15","","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C58 H52 Br2 N2 Ni -","- C58 H52 Br2 N2 Ni -","- C116 H104 Br4 N4 Ni2 -","2","1","","Mahmood, Qaiser; Zemg, Yanning; Yue, Erlin; Solan, Gregory; Liang, Tongling; Sun, Wen Hua","Ultra-high molecular weight elastomeric polyethylene using an electronically and sterically enhanced nickel catalyst","Polym. Chem.","2017","","","","","10.1039/C7PY01606A","","","0.71073","MoKα","","0.0486","0.0446","","","0.1132","0.1166","","","","","","1.078","","","","has coordinates,has disorder","201549","2020-10-21","18:00:00",""
"1547497","6.9835","0.0018","13.171","0.003","14.818","0.003","90","","90","","90","","1363","0.5","296","2","296","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C15 H20 O5 -","- C15 H20 O5 -","- C60 H80 O20 -","4","1","","Jang, Hyun-Jae; Lee, Soyoung; Lee, Seung-Jae; Lim, Hyung-Jin; Jung, Kyungsook; Kim, Young Ho; Lee, Seung Woong; Rho, Mun-Chual","Anti-inflammatory Activity of Eudesmane-Type Sesquiterpenoids from Salvia plebeia.","Journal of natural products","2017","80","10","2666","2676","10.1021/acs.jnatprod.7b00326","","","0.71073","MoKα","","0.1067","0.0529","","","0.1012","0.12","","","","","","0.998","","","","has coordinates","202669","2020-10-21","18:00:00",""
"1547498","9.7788","0.0002","9.8113","0.0002","13.9226","0.0003","90","","90","","90","","1335.77","0.05","296","2","296","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C15 H18 O5 -","- C15 H18 O5 -","- C60 H72 O20 -","4","1","","Jang, Hyun-Jae; Lee, Soyoung; Lee, Seung-Jae; Lim, Hyung-Jin; Jung, Kyungsook; Kim, Young Ho; Lee, Seung Woong; Rho, Mun-Chual","Anti-inflammatory Activity of Eudesmane-Type Sesquiterpenoids from Salvia plebeia.","Journal of natural products","2017","80","10","2666","2676","10.1021/acs.jnatprod.7b00326","","","0.71073","MoKα","","0.0757","0.0466","","","0.0897","0.1009","","","","","","1.033","","","","has coordinates","202669","2020-10-21","18:00:00",""
"1547499","14.971","0.002","8.5731","0.0012","26.443","0.004","90","","96.075","0.002","90","","3374.8","0.8","298","2","298","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C19 H16 Cl N Pd S -","- C19 H16 Cl N Pd S -","- C152 H128 Cl8 N8 Pd8 S8 -","8","2","","Bhaskar, Renu; Sharma, Alpesh K.; Yadav, Manoj K.; Singh, Ajai K.","Sonogashira (Cu and amine free) and Suzuki coupling in air catalyzed <i>via</i> nanoparticles formed <i>in situ</i> from Pd( <scp>ii</scp> ) complexes of chalcogenated Schiff bases of 1-naphthaldehyde and their reduced forms","Dalton Transactions","2017","46","44","15235","15248","10.1039/C7DT02701J","","","0.71073","MoKα","","0.0503","0.0445","","","0.0995","0.1022","","","","","","1.234","","","","has coordinates","282777","2023-04-20","11:56:50",""
"1547500","5.5753","0.0019","8.462","0.003","36.235","0.012","90","","90","","90","","1709.5","1","298","2","298","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C19 H16 Cl N Pd Se -","- C19 H16 Cl N Pd Se -","- C76 H64 Cl4 N4 Pd4 Se4 -","4","1","","Bhaskar, Renu; Sharma, Alpesh K.; Yadav, Manoj K.; Singh, Ajai K.","Sonogashira (Cu and amine free) and Suzuki coupling in air catalyzed <i>via</i> nanoparticles formed <i>in situ</i> from Pd( <scp>ii</scp> ) complexes of chalcogenated Schiff bases of 1-naphthaldehyde and their reduced forms","Dalton Transactions","2017","46","44","15235","15248","10.1039/C7DT02701J","","","0.71073","MoKα","","0.041","0.0393","","","0.0937","0.0946","","","","","","1.146","","","","has coordinates","282777","2023-04-20","11:56:50",""
"1547501","15.624","0.002","9.9535","0.0014","15.7","0.002","90","","94.12","0.003","90","","2435.3","0.6","298","2","298","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C20 H20 Cl5 N Pd Se -","- C20 H20 Cl5 N Pd Se -","- C80 H80 Cl20 N4 Pd4 Se4 -","4","1","","Bhaskar, Renu; Sharma, Alpesh K.; Yadav, Manoj K.; Singh, Ajai K.","Sonogashira (Cu and amine free) and Suzuki coupling in air catalyzed <i>via</i> nanoparticles formed <i>in situ</i> from Pd( <scp>ii</scp> ) complexes of chalcogenated Schiff bases of 1-naphthaldehyde and their reduced forms","Dalton Transactions","2017","46","44","15235","15248","10.1039/C7DT02701J","","","0.71073","MoKα","","0.0961","0.0584","","","0.1485","0.169","","","","","","1.011","","","","has coordinates","282777","2023-04-20","11:56:51",""
"1547502","9.2268","0.0017","11.055","0.002","21.199","0.004","84.46","0.004","82.473","0.004","72.438","0.004","2040.1","0.7","298","2","298","2","","","","","","","","6","P -1","-P 1","2","","","","- C19.5 H20 Cl3 N Pd S -","- C19.5 H20 Cl3 N Pd S -","- C78 H80 Cl12 N4 Pd4 S4 -","4","2","","Bhaskar, Renu; Sharma, Alpesh K.; Yadav, Manoj K.; Singh, Ajai K.","Sonogashira (Cu and amine free) and Suzuki coupling in air catalyzed <i>via</i> nanoparticles formed <i>in situ</i> from Pd( <scp>ii</scp> ) complexes of chalcogenated Schiff bases of 1-naphthaldehyde and their reduced forms","Dalton Transactions","2017","46","44","15235","15248","10.1039/C7DT02701J","","","0.71073","MoKα","","0.133","0.0736","","","0.1361","0.1598","","","","","","0.994","","","","has coordinates","282777","2023-04-20","11:56:51",""
"1547503","5.247","0.002","14.195","0.006","10.646","0.004","90","","101.61","0.008","90","","776.7","0.5","298","2","298","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C19 H17 N S -","- C19 H17 N S -","- C38 H34 N2 S2 -","2","1","","Bhaskar, Renu; Sharma, Alpesh K.; Yadav, Manoj K.; Singh, Ajai K.","Sonogashira (Cu and amine free) and Suzuki coupling in air catalyzed <i>via</i> nanoparticles formed <i>in situ</i> from Pd( <scp>ii</scp> ) complexes of chalcogenated Schiff bases of 1-naphthaldehyde and their reduced forms","Dalton Transactions","2017","46","44","15235","15248","10.1039/C7DT02701J","","","0.71073","MoKα","","0.0777","0.0617","","","0.1343","0.1438","","","","","","1.034","","","","has coordinates","282777","2023-04-20","11:56:51",""
"1547504","23.269","0.005","18.286","0.004","33.209","0.007","90","","92.92","0.03","90","","14112","5","273","2","273","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C114.47 H115.78 B3 N12.82 O14.82 -","- C114.016 H114.704 B3 N12.672 O14.672 -","- C456.064 H458.816 B12 N50.688 O58.688 -","4","0.5","","Danjo, Hiroshi; Hamaguchi, Masahiro; Asai, Kohei; Nakatani, Mizuki; Kawanishi, Hiroko; Kawahata, Masatoshi; Yamaguchi, Kentaro","Proton-Induced Assembly‒Disassembly Modulation of Spiroborate Twin-Bowl Polymers Bearing Pyridyl Groups","Macromolecules","2017","50","20","8028","","10.1021/acs.macromol.7b01924","","","0.8","Synchrotron","","0.1877","0.123","","","0.3404","0.3887","","","","","","1.286","","","","has coordinates","203995","2020-10-21","18:00:00",""
"1547505","9.8851","0.0004","5.5559","0.0002","27.8824","0.0011","90","","94.53","0.002","90","","1526.54","0.1","100","2","100","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C18 H17 N O3 -","- C18 H17 N O3 -","- C72 H68 N4 O12 -","4","1","","Das, Tamal Kanti; Mondal, Santigopal; Gonnade, Rajesh G.; Biju, Akkattu T.","Base-Free and Catalyst-Free Synthesis of Functionalized Dihydrobenzoxazoles via Vinylogous Carbonate to Carbamate Rearrangement.","Organic letters","2017","19","20","5597","5600","10.1021/acs.orglett.7b02733","","","0.71073","MoKα","","0.0538","0.0501","","","0.1148","0.1168","","","","","","1.135","","","","has coordinates","202818","2020-10-21","18:00:00",""
"1547506","21.688","0.002","9.136","0.0009","30.698","0.003","90","","90","","90","","6082.5","1","213","2","213.15","","","","","","","","","5","P n a 21","P 2c -2n","33","","","","- C34 H33 N O7 S -","- C34 H33 N O7 S -","- C272 H264 N8 O56 S8 -","8","2","","Chen, Junlong; Huang, You","Phosphine-Catalyzed Sequential [4 + 3] Domino Annulation/Allylic Alkylation Reaction of MBH Carbonates: Efficient Construction of Seven-Membered Heterocycles.","Organic letters","2017","19","20","5609","5612","10.1021/acs.orglett.7b02742","","","0.71073","MoKα","","0.0788","0.0749","","","0.1934","0.1995","","","","","","1.031","","","","has coordinates","202819","2020-10-21","18:00:00",""
"1547507","11.0625","0.0012","8.6759","0.001","17.0878","0.0019","90","","107.297","0.003","90","","1565.9","0.3","100","2","100","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C12 H22 F3 N O3 S -","- C12 H22 F3 N O3 S -","- C48 H88 F12 N4 O12 S4 -","4","1","","Mandal, Debdeep; Dolai, Ramapada; Chrysochos, Nicolas; Kalita, Pankaj; Kumar, Ravi; Dhara, Debabrata; Maiti, Avijit; Narayanan, Ramakirushnan Suriya; Rajaraman, Gopalan; Schulzke, Carola; Chandrasekhar, Vadapalli; Jana, Anukul","Stepwise Reversible Oxidation of N-Peralkyl-Substituted NHC-CAAC Derived Triazaalkenes: Isolation of Radical Cations and Dications.","Organic letters","2017","19","20","5605","5608","10.1021/acs.orglett.7b02721","","","0.71073","MoKα","","0.0446","0.035","","","0.085","0.0913","","","","","","1.102","","","","has coordinates","202831","2020-10-21","18:00:00",""
"1547508","13.4671","0.0011","8.2755","0.0007","20.6849","0.0018","90","","100.909","0.005","90","","2263.6","0.3","100","2","100","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C19 H34 F3 N3 O3 S -","- C19 H34 F3 N3 O3 S -","- C76 H136 F12 N12 O12 S4 -","4","1","","Mandal, Debdeep; Dolai, Ramapada; Chrysochos, Nicolas; Kalita, Pankaj; Kumar, Ravi; Dhara, Debabrata; Maiti, Avijit; Narayanan, Ramakirushnan Suriya; Rajaraman, Gopalan; Schulzke, Carola; Chandrasekhar, Vadapalli; Jana, Anukul","Stepwise Reversible Oxidation of N-Peralkyl-Substituted NHC-CAAC Derived Triazaalkenes: Isolation of Radical Cations and Dications.","Organic letters","2017","19","20","5605","5608","10.1021/acs.orglett.7b02721","","","0.71073","MoKα","","0.0816","0.0502","","","0.1135","0.1346","","","","","","1.052","","","","has coordinates","202831","2020-10-21","18:00:00",""
"1547509","10.299","0.002","8.3668","0.0017","29.872","0.006","90","","92.79","0.03","90","","2571","0.9","170","2","170","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C23 H42 F3 N3 O3 S -","- C23 H42 F3 N3 O3 S -","- C92 H168 F12 N12 O12 S4 -","4","1","","Mandal, Debdeep; Dolai, Ramapada; Chrysochos, Nicolas; Kalita, Pankaj; Kumar, Ravi; Dhara, Debabrata; Maiti, Avijit; Narayanan, Ramakirushnan Suriya; Rajaraman, Gopalan; Schulzke, Carola; Chandrasekhar, Vadapalli; Jana, Anukul","Stepwise Reversible Oxidation of N-Peralkyl-Substituted NHC-CAAC Derived Triazaalkenes: Isolation of Radical Cations and Dications.","Organic letters","2017","19","20","5605","5608","10.1021/acs.orglett.7b02721","","","0.71073","MoKα","","0.0867","0.0574","","","0.1511","0.1743","","","","","","1.08","","","","has coordinates,has disorder","202831","2020-10-21","18:00:00",""
"1547510","13.4463","0.0006","8.2683","0.0003","20.7728","0.0009","90","","101.259","0.003","90","","2265.03","0.16","100","2","100","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C19 H33 F3 N3 O3 S -","- C19 H33 F3 N3 O3 S -","- C76 H132 F12 N12 O12 S4 -","4","1","","Mandal, Debdeep; Dolai, Ramapada; Chrysochos, Nicolas; Kalita, Pankaj; Kumar, Ravi; Dhara, Debabrata; Maiti, Avijit; Narayanan, Ramakirushnan Suriya; Rajaraman, Gopalan; Schulzke, Carola; Chandrasekhar, Vadapalli; Jana, Anukul","Stepwise Reversible Oxidation of N-Peralkyl-Substituted NHC-CAAC Derived Triazaalkenes: Isolation of Radical Cations and Dications.","Organic letters","2017","19","20","5605","5608","10.1021/acs.orglett.7b02721","","x-ray","0.71073","MoKα","","0.0641","0.0423","","","0.0993","0.1104","","","","","","1.027","","","","has coordinates","202831","2020-10-21","18:00:00",""
"1547511","17.684","0.004","17.465","0.004","33.978","0.007","90","","90","","90","","10494","4","170","2","170","2","","","","","","","","6","P b c a","-P 2ac 2ab","61","","","","- C23 H41 F3 N3 O3 S -","- C23 H41 F3 N3 O3 S -","- C368 H656 F48 N48 O48 S16 -","16","2","","Mandal, Debdeep; Dolai, Ramapada; Chrysochos, Nicolas; Kalita, Pankaj; Kumar, Ravi; Dhara, Debabrata; Maiti, Avijit; Narayanan, Ramakirushnan Suriya; Rajaraman, Gopalan; Schulzke, Carola; Chandrasekhar, Vadapalli; Jana, Anukul","Stepwise Reversible Oxidation of N-Peralkyl-Substituted NHC-CAAC Derived Triazaalkenes: Isolation of Radical Cations and Dications.","Organic letters","2017","19","20","5605","5608","10.1021/acs.orglett.7b02721","","","0.71073","MoKα","","0.1783","0.0911","","","0.2157","0.2621","","","","","","0.886","","","","has coordinates","202831","2020-10-21","18:00:00",""
"1547512","15.6706","0.0009","12.5278","0.0006","14.3707","0.0008","90","","110.805","0.006","90","","2637.3","0.3","100","2","100","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C20 H33 F6 N3 O6 S2 -","- C20 H33 F6 N3 O6 S2 -","- C80 H132 F24 N12 O24 S8 -","4","1","","Mandal, Debdeep; Dolai, Ramapada; Chrysochos, Nicolas; Kalita, Pankaj; Kumar, Ravi; Dhara, Debabrata; Maiti, Avijit; Narayanan, Ramakirushnan Suriya; Rajaraman, Gopalan; Schulzke, Carola; Chandrasekhar, Vadapalli; Jana, Anukul","Stepwise Reversible Oxidation of N-Peralkyl-Substituted NHC-CAAC Derived Triazaalkenes: Isolation of Radical Cations and Dications.","Organic letters","2017","19","20","5605","5608","10.1021/acs.orglett.7b02721","","","0.71073","MoKα","","0.0365","0.0334","","","0.0816","0.0836","","","","","","1.033","","","","has coordinates","202831","2020-10-21","18:00:00",""
"1547513","23.095","0.002","13.2861","0.0012","10.6916","0.001","90","","90","","90","","3280.6","0.5","100","2","100","2","","","","","","","","6","P n a 21","P 2c -2n","33","","","","- C26 H44 F6 N4 O6 S2 -","- C26 H44 F6 N4 O6 S2 -","- C104 H176 F24 N16 O24 S8 -","4","1","","Mandal, Debdeep; Dolai, Ramapada; Chrysochos, Nicolas; Kalita, Pankaj; Kumar, Ravi; Dhara, Debabrata; Maiti, Avijit; Narayanan, Ramakirushnan Suriya; Rajaraman, Gopalan; Schulzke, Carola; Chandrasekhar, Vadapalli; Jana, Anukul","Stepwise Reversible Oxidation of N-Peralkyl-Substituted NHC-CAAC Derived Triazaalkenes: Isolation of Radical Cations and Dications.","Organic letters","2017","19","20","5605","5608","10.1021/acs.orglett.7b02721","","x-ray","0.71073","MoKα","","0.0675","0.0471","","","0.0986","0.1073","","","","","","1.019","","","","has coordinates","202831","2020-10-21","18:00:00",""
"1547514","7.3581","0.0006","9.0853","0.0007","9.4911","0.0007","108.041","0.002","101.319","0.002","98.946","0.002","575.42","0.08","100","0.1","100","0.1","","","","","","","","4","P -1","-P 1","2","","3-(8-ethyl-5,6,7,8-tetrahydroindolizin-8-yl)propiolic acid","","- C13 H15 N O2 -","- C13 H15 N O2 -","- C26 H30 N2 O4 -","2","1","","Shemet, Andrej; Carreira, Erick M.","Total Synthesis of (-)-Rhazinilam and Formal Synthesis of (+)-Eburenine and (+)-Aspidospermidine: Asymmetric Cu-Catalyzed Propargylic Substitution.","Organic letters","2017","19","20","5529","5532","10.1021/acs.orglett.7b02619","","x-ray","0.71073","MoKα","","0.0565","0.0442","","","0.1091","0.1175","","","","","","1.026","","","","has coordinates","202837","2020-10-21","18:00:00",""
"1547515","8.3072","0.0007","23.509","0.002","8.9287","0.0008","90","","98.124","0.002","90","","1726.2","0.3","100","0.1","100","0.1","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","(R)-3a-ethyl-(methoxymethyl)-1,2,3,3a,4,5-hexahydrobenzo[2,3]azonino[6,5,4-hi]indolizin-6(7H)-one","","- C21 H26 N2 O2 -","- C21 H26 N2 O2 -","- C84 H104 N8 O8 -","4","1","","Shemet, Andrej; Carreira, Erick M.","Total Synthesis of (-)-Rhazinilam and Formal Synthesis of (+)-Eburenine and (+)-Aspidospermidine: Asymmetric Cu-Catalyzed Propargylic Substitution.","Organic letters","2017","19","20","5529","5532","10.1021/acs.orglett.7b02619","","x-ray","0.71073","MoKα","","0.0601","0.0434","","","0.1095","0.1191","","","","","","1.02","","","","has coordinates","202837","2020-10-21","18:00:00",""
"1547516","20.025","0.004","19.663","0.004","24.499","0.005","90","","90","","90","","9647","3","110","","110","","","","","","","","","6","P b c a","-P 2ac 2ab","61","","","","- C44 H76 Dy Fe2 N4 Si4 -","- C44 H76 Dy Fe2 N4 Si4 -","- C352 H608 Dy8 Fe16 N32 Si32 -","8","1","","Dickie, Courtney M.; Laughlin, Alexander L.; Wofford, Joshua D.; Bhuvanesh, Nattamai; Nippe, Michael","Transition Metal Redox Switches for Reversible “On/Off” and “Slow/Fast” Single-Molecule Magnet Behaviour in Dysprosium and Erbium bis-Diamidoferrocene Complexes","Chem. Sci.","2017","","","","","10.1039/C7SC03380J","","","0.71073","MoKα","","0.065","0.0376","","","0.0753","0.0947","","","","","","1.125","","","","has coordinates,has disorder","201572","2020-10-21","18:00:00",""
"1547517","19.7942","0.0016","19.8223","0.0016","24.603","0.002","90","","90","","90","","9653.4","1.4","110","","110","","","","","","","","","6","P b c a","-P 2ac 2ab","61","","","","- C44 H76 Er Fe2 N4 Si4 -","- C44 H76 Er Fe2 N4 Si4 -","- C352 H608 Er8 Fe16 N32 Si32 -","8","1","","Dickie, Courtney M.; Laughlin, Alexander L.; Wofford, Joshua D.; Bhuvanesh, Nattamai; Nippe, Michael","Transition Metal Redox Switches for Reversible “On/Off” and “Slow/Fast” Single-Molecule Magnet Behaviour in Dysprosium and Erbium bis-Diamidoferrocene Complexes","Chem. Sci.","2017","","","","","10.1039/C7SC03380J","","","0.71073","MoKα","","0.1587","0.0742","","","0.1491","0.1847","","","","","","0.924","","","","has coordinates","201572","2020-10-21","18:00:00",""
"1547518","20.271","0.003","13.329","0.002","19.582","0.003","90","","106.9","0.002","90","","5062.4","1.3","90","2","90","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C43 H43 Fe5 N Na O19 P -","- C43 H43 Fe5 N Na O19 P -","- C172 H172 Fe20 N4 Na4 O76 P4 -","4","1","","Loewen, Natalia D.; Neelakantan, Taruna V.; Berben, Louise A.","Renewable Formate from C-H Bond Formation with CO2: Using Iron Carbonyl Clusters as Electrocatalysts.","Accounts of chemical research","2017","50","9","2362","2370","10.1021/acs.accounts.7b00302","","","0.71073","MoKα","","0.0951","0.0715","","","0.1452","0.1557","","","","","","1.238","","","","has coordinates,has disorder","201594","2020-10-21","18:00:00",""
"1547519","12.1734","0.0005","11.7178","0.0004","15.5279","0.0006","90","","110.903","0.002","90","","2069.21","0.14","173","2","173","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C38 H39 F2 N5 O3 -","- C38 H39 F2 N5 O3 -","- C76 H78 F4 N10 O6 -","2","1","","Jiang, Yan; Zhuang, Chunlin; Chen, Long; Lu, Junjie; Dong, Guoqiang; Miao, Zhenyuan; Zhang, Wannian; Li, Jian; Sheng, Chunquan","Structural Biology-Inspired Discovery of Novel KRAS-PDEδ Inhibitors.","Journal of medicinal chemistry","2017","60","22","9400","9406","10.1021/acs.jmedchem.7b01243","","","1.54178","CuKα","","0.0962","0.0881","","","0.2507","0.2672","","","","","","1.089","","","","has coordinates","203986","2020-10-21","18:00:00",""
"1547520","16.6578","0.0011","9.9005","0.0007","12.3571","0.0008","90","","102.887","0.004","90","","1986.6","0.2","296","","296.15","","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C22 H29 N O3 -","- C22 H29 N O3 -","- C88 H116 N4 O12 -","4","2","","Wang, Jie; Mu, Feng-Rong; Jiao, Wei-Hua; Huang, Jian; Hong, Li-Li; Yang, Fan; Xu, Ying; Wang, Shu-Ping; Sun, Fan; Lin, Hou-Wen","Meroterpenoids with Protein Tyrosine Phosphatase 1B Inhibitory Activity from a Hyrtios sp. Marine Sponge.","Journal of natural products","2017","80","9","2509","2514","10.1021/acs.jnatprod.7b00435","","","1.54178","CuKα","","0.0732","0.0652","","","0.1823","0.192","","","","","","1.021","","","","has coordinates","201651","2020-10-21","18:00:00",""
"1547521","7.867","0.0001","11.4726","0.0002","10.1815","0.0001","90","","93.641","0.001","90","","917.08","0.02","140","2","140","2","","","","","","","","3","P 1 21 1","P 2yb","4","","","","- C22 H28 O4 -","- C22 H28 O4 -","- C44 H56 O8 -","2","1","","Wang, Jie; Mu, Feng-Rong; Jiao, Wei-Hua; Huang, Jian; Hong, Li-Li; Yang, Fan; Xu, Ying; Wang, Shu-Ping; Sun, Fan; Lin, Hou-Wen","Meroterpenoids with Protein Tyrosine Phosphatase 1B Inhibitory Activity from a Hyrtios sp. Marine Sponge.","Journal of natural products","2017","80","9","2509","2514","10.1021/acs.jnatprod.7b00435","","","1.54178","CuKα","","0.0341","0.034","","","0.0914","0.0916","","","","","","1.05","","","","has coordinates","201652","2020-10-21","18:00:00",""
"1547522","10.021","0.0001","13.4995","0.0002","26.1852","0.0004","90","","90","","90","","3542.29","0.08","130","","130","","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C21 H28 O3 -","- C21 H28 O3 -","- C168 H224 O24 -","8","2","","Wang, Jie; Mu, Feng-Rong; Jiao, Wei-Hua; Huang, Jian; Hong, Li-Li; Yang, Fan; Xu, Ying; Wang, Shu-Ping; Sun, Fan; Lin, Hou-Wen","Meroterpenoids with Protein Tyrosine Phosphatase 1B Inhibitory Activity from a Hyrtios sp. Marine Sponge.","Journal of natural products","2017","80","9","2509","2514","10.1021/acs.jnatprod.7b00435","","","1.54178","CuKα","","0.0374","0.0349","","","0.085","0.0864","","","","","","1.065","","","","has coordinates","201653","2020-10-21","18:00:00",""
"1547523","17.907","0.008","7.805","0.003","25.346","0.011","90","","92.386","0.009","90","","3539","3","296","2","296","2","","","","","","","","3","C 1 2/c 1","-C 2yc","15","","","","- C19 H13 N5 -","- C19 H13 N5 -","- C152 H104 N40 -","8","1","","Philip, Abbey M.; Kuriakose, Febin; Hariharan, Mahesh","Unsolicited Photoexcited-State Pathways Relegate the Long-Lived Charge Separation in Self-Assembled Nucleobase‒Arene Conjugate","The Journal of Physical Chemistry C","2017","121","42","23259","","10.1021/acs.jpcc.7b06660","","","0.71073","MoKα","","0.1304","0.0549","","","0.1442","0.1865","","","","","","0.987","","","","has coordinates","202766","2020-10-21","18:00:00",""
"1547524","25.054","0.005","17.452","0.004","26.296","0.006","90","","90","","90","","11498","4","193","2","193","2","","","","","","","","8","P b c a","-P 2ac 2ab","61","","","","- C22.78 H30.48 Ag4 N1.7 Na6.96 Ni2 O35.69 S8 -","- C22.784 H30.48 Ag4 N1.696 Na6.964 Ni2 O35.696 S8 -","- C182.272 H243.84 Ag32 N13.568 Na55.712 Ni16 O285.568 S64 -","8","1","","Biltek, Scott R.; Reber, Arthur C.; Khanna, Shiv N.; Sen, Ayusman","Complete Ag4M2(DMSA)4 (M = Ni, Pd, Pt, DMSA = Dimercaptosuccinic Acid) Cluster Series: Optical Properties, Stability, and Structural Characterization.","The journal of physical chemistry. A","2017","121","28","5324","5331","10.1021/acs.jpca.7b04669","","","0.71073","MoKα","","0.1238","0.102","","","0.2274","0.2384","","","","","","1.147","","","","has coordinates,has disorder","201658","2020-10-21","18:00:00",""
"1547525","8.1458","0.0013","14.503","0.003","15.696","0.003","89.66","0.005","89.057","0.006","76.492","0.006","1802.8","0.6","150","2","150","2","","","","","","","synthesized by the authors","6","P -1","-P 1","2","","","","- C39 H34 F6 N2 O7 S2 -","- C39 H34 F6 N2 O7 S2 -","- C78 H68 F12 N4 O14 S4 -","2","1","","Buckley, Laura E. R.; Coe, Benjamin J.; Rusanova, Daniela; Joshi, Vishwas D.; Sánchez, Sergio; Jirásek, Michael; Vávra, Jan; Khobragade, Dushant; Severa, Lukáš; Císařová, Ivana; Šaman, David; Pohl, Radek; Clays, Koen; Depotter, Griet; Brunschwig, Bruce S.; Teplý, Filip","Tunable Chiral Second-Order Nonlinear Optical Chromophores Based on Helquat Dications.","The journal of physical chemistry. A","2017","121","31","5842","5855","10.1021/acs.jpca.7b06057","","","0.71073","MoKα","","0.1099","0.0726","","","0.1798","0.2063","","","","","","1.033","","","","has coordinates","201659","2020-10-21","18:00:00",""
"1547526","13.703","0.001","22.2261","0.0015","23.066","0.0016","90","","90","","90","","7025.1","0.9","150","2","150","2","","","","","","","synthesized by the authors","6","P b c a","-P 2ac 2ab","61","","","","- C35 H31 F12 N3 O P2 -","- C35 H31 F12 N3 O P2 -","- C280 H248 F96 N24 O8 P16 -","8","1","","Buckley, Laura E. R.; Coe, Benjamin J.; Rusanova, Daniela; Joshi, Vishwas D.; Sánchez, Sergio; Jirásek, Michael; Vávra, Jan; Khobragade, Dushant; Severa, Lukáš; Císařová, Ivana; Šaman, David; Pohl, Radek; Clays, Koen; Depotter, Griet; Brunschwig, Bruce S.; Teplý, Filip","Tunable Chiral Second-Order Nonlinear Optical Chromophores Based on Helquat Dications.","The journal of physical chemistry. A","2017","121","31","5842","5855","10.1021/acs.jpca.7b06057","","","0.71073","MoKα","","0.0892","0.0623","","","0.1546","0.1753","","","","","","1.029","","","","has coordinates,has disorder","201660","2020-10-21","18:00:00",""
"1547527","13.794","0.002","7.4068","0.0013","15.014","0.002","90","","99.751","0.004","90","","1511.8","0.4","113","2","113","2","","","","","","","","7","P 1 21 1","P 2yb","4","","","","- C31 H30 Br F N2 O8 S -","- C31 H30 Br F N2 O8 S -","- C62 H60 Br2 F2 N4 O16 S2 -","2","1","","Li, Hanyuan; Luo, Jiesi; Li, Bojuan; Yi, Xizhen; He, Zhengjie","Enantioselective [4 + 1]-Annulation of α,β-Unsaturated Imines with Allylic Carbonates Catalyzed by a Hybrid P-Chiral Phosphine Oxide-Phosphine.","Organic letters","2017","19","20","5637","5640","10.1021/acs.orglett.7b02800","","","0.71075","MoKα","","0.0259","0.0215","","","0.0407","0.0411","","","","","","0.873","","","","has coordinates","202825","2020-10-21","18:00:00",""
"1547528","7.762","0.006","12.126","0.009","14.58","0.012","100.941","0.009","98.338","0.015","93.2","0.011","1328.2","1.8","113","2","113.15","","","","","","","","","7","P -1","-P 1","2","","","","- C27 H22 Br Cl N2 O6 S -","- C27 H22 Br Cl N2 O6 S -","- C54 H44 Br2 Cl2 N4 O12 S2 -","2","1","","Li, Hanyuan; Luo, Jiesi; Li, Bojuan; Yi, Xizhen; He, Zhengjie","Enantioselective [4 + 1]-Annulation of α,β-Unsaturated Imines with Allylic Carbonates Catalyzed by a Hybrid P-Chiral Phosphine Oxide-Phosphine.","Organic letters","2017","19","20","5637","5640","10.1021/acs.orglett.7b02800","","","0.71073","MoKα","","0.0676","0.0481","","","0.1193","0.1289","","","","","","1.052","","","","has coordinates","202825","2020-10-21","18:00:00",""
"1547529","8.275","0.006","22.39","0.018","9.224","0.007","90","","109.92","0.011","90","","1607","2","113","2","113","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C39 H35 N O2 P2 -","- C39 H35 N O2 P2 -","- C78 H70 N2 O4 P4 -","2","1","","Li, Hanyuan; Luo, Jiesi; Li, Bojuan; Yi, Xizhen; He, Zhengjie","Enantioselective [4 + 1]-Annulation of α,β-Unsaturated Imines with Allylic Carbonates Catalyzed by a Hybrid P-Chiral Phosphine Oxide-Phosphine.","Organic letters","2017","19","20","5637","5640","10.1021/acs.orglett.7b02800","","","0.71073","MoKα","","0.0452","0.0367","","","0.0846","0.0882","","","","","","0.997","","","","has coordinates","202825","2020-10-21","18:00:00",""
"1547530","7.1898","0.0002","19.2245","0.0004","7.5937","0.0002","90","","113.318","0.003","90","","963.87","0.05","293.02","0.1","293.02","0.1","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C10 H7 Br N2 O -","- C10 H7 Br N2 O -","- C40 H28 Br4 N8 O4 -","4","1","","Wang, Qing-Qing; Xu, Kun; Jiang, Yang-Ye; Liu, Yong-Guo; Sun, Bao-Guo; Zeng, Cheng-Chu","Electrocatalytic Minisci Acylation Reaction of N-Heteroarenes Mediated by NH4I.","Organic letters","2017","19","20","5517","5520","10.1021/acs.orglett.7b02589","","","1.54184","CuKα","","0.0428","0.0394","","","0.1087","0.1154","","","","","","1.036","","","","has coordinates","202828","2020-10-21","18:00:00",""
"1547531","20.1746","0.0012","20.4429","0.0012","34.225","0.002","87.8191","0.0017","73.8816","0.0016","72.2845","0.0016","12900.8","1.3","100","","100","","","","","","","","","5","P -1","-P 1","2","","2","","- C262 H348 Ag8 Cl12 Cu8 -","- C262 H348 Ag8 Cl12 Cu8 -","- C524 H696 Ag16 Cl24 Cu16 -","2","1","","Chang, Xiao-Yong; Xu, Guang-Tao; Cao, Bei; Wang, Juan-Yu; Huang, Jie-Sheng; Che, Chi-Ming","Assembly of strongly phosphorescent hetero-bimetallic and -trimetallic [2]catenane structures based on a coinage metal alkynyl system","Chem. Sci.","2017","","","","","10.1039/C7SC03529B","","","1.54178","CuKα","","0.0846","0.0803","","","0.2342","0.24","","","","","","1.047","","","","has coordinates,has disorder","201668","2020-10-21","18:00:00",""
"1547532","20.2863","0.0014","25.3095","0.0017","30.667","0.002","88.693","0.001","83.335","0.001","77.746","0.001","15282.8","1.8","100","","100","","","","","","","","","6","P -1","-P 1","2","","4","","- C328 H396 Ag4 Au8 Cl12 Cu4 -","- C328 H396 Ag4 Au8 Cl12 Cu4 -","- C656 H792 Ag8 Au16 Cl24 Cu8 -","2","1","","Chang, Xiao-Yong; Xu, Guang-Tao; Cao, Bei; Wang, Juan-Yu; Huang, Jie-Sheng; Che, Chi-Ming","Assembly of strongly phosphorescent hetero-bimetallic and -trimetallic [2]catenane structures based on a coinage metal alkynyl system","Chem. Sci.","2017","","","","","10.1039/C7SC03529B","","","1.54178","CuKα","","0.1018","0.0896","","","0.2441","0.2564","","","","","","1.016","","","","has coordinates,has disorder","201668","2020-10-21","18:00:00",""
"1547533","80.2","0.004","18.8497","0.001","51.113","0.003","90","","128.112","0.002","90","","60796","6","200","","200","","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","C6-FluoAuAgCu","","- C324 H396 Ag2.88 Au6 Cu3.12 -","- C324 H396 Ag2.8757 Au6 Cu3.1243 -","- C2592 H3168 Ag23.0056 Au48 Cu24.9944 -","8","1","","Chang, Xiao-Yong; Xu, Guang-Tao; Cao, Bei; Wang, Juan-Yu; Huang, Jie-Sheng; Che, Chi-Ming","Assembly of strongly phosphorescent hetero-bimetallic and -trimetallic [2]catenane structures based on a coinage metal alkynyl system","Chem. Sci.","2017","","","","","10.1039/C7SC03529B","","","1.54178","CuKα","","0.1145","0.0827","","","0.1936","0.2263","","","","","","1.056","","","","has coordinates,has disorder","201668","2020-10-21","18:00:00",""
"1547534","80.362","0.003","18.8467","0.0008","51.284","0.002","90","","128.299","0.0014","90","","60956","4","200","","200","","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","C6_FLuoAuAg","","- C162 H198 Ag3 Au3 -","- C162 H198 Ag3 Au3 -","- C2592 H3168 Ag48 Au48 -","16","2","","Chang, Xiao-Yong; Xu, Guang-Tao; Cao, Bei; Wang, Juan-Yu; Huang, Jie-Sheng; Che, Chi-Ming","Assembly of strongly phosphorescent hetero-bimetallic and -trimetallic [2]catenane structures based on a coinage metal alkynyl system","Chem. Sci.","2017","","","","","10.1039/C7SC03529B","","","1.34139","GaKα","","0.1568","0.1051","","","0.2022","0.232","","","","","","1.144","","","","has coordinates,has disorder","217633","2020-10-21","18:00:00",""
"1547535","79.645","0.003","18.8256","0.0008","50.821","0.002","90","","127.383","0.002","90","","60548","4","200","","200","","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","C6_FLuoAuCu","","- C162 H198 Au3 Cu3 -","- C162 H198 Au3 Cu3 -","- C2592 H3168 Au48 Cu48 -","16","2","","Chang, Xiao-Yong; Xu, Guang-Tao; Cao, Bei; Wang, Juan-Yu; Huang, Jie-Sheng; Che, Chi-Ming","Assembly of strongly phosphorescent hetero-bimetallic and -trimetallic [2]catenane structures based on a coinage metal alkynyl system","Chem. Sci.","2017","","","","","10.1039/C7SC03529B","","","1.54178","CuKα","","0.1252","0.0888","","","0.1708","0.198","","","","","","1.045","","","","has coordinates,has disorder","217633","2020-10-21","18:00:00",""
"1547536","24.72","0.0011","30.9053","0.0014","52.473","0.002","90","","90","","90","","40088","3","220","","220.02","","","","","","","","","4","F d d d","-F 2uv 2vw","70","","3","","- C192 H252 Au6 Cu6 -","- C192 H252 Au6 Cu6 -","- C1536 H2016 Au48 Cu48 -","8","","","Chang, Xiao-Yong; Xu, Guang-Tao; Cao, Bei; Wang, Juan-Yu; Huang, Jie-Sheng; Che, Chi-Ming","Assembly of strongly phosphorescent hetero-bimetallic and -trimetallic [2]catenane structures based on a coinage metal alkynyl system","Chem. Sci.","2017","","","","","10.1039/C7SC03529B","","","0.71073","MoKα","","0.1086","0.0663","","","0.1793","0.2274","","","","","","1.054","","","","has coordinates,has disorder","201668","2020-10-21","18:00:00",""
"1547537","28.818","0.003","12.9632","0.0013","25.496","0.003","90","","117.086","0.003","90","","8480","1.6","296","2","296.15","","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","tBuAuAg51","","- C72 H108 Ag1.8 Au10.2 -","- C72 H108 Ag1.8068 Au10.1932 -","- C288 H432 Ag7.2272 Au40.7728 -","4","0.5","","Chang, Xiao-Yong; Xu, Guang-Tao; Cao, Bei; Wang, Juan-Yu; Huang, Jie-Sheng; Che, Chi-Ming","Assembly of strongly phosphorescent hetero-bimetallic and -trimetallic [2]catenane structures based on a coinage metal alkynyl system","Chem. Sci.","2017","","","","","10.1039/C7SC03529B","","","1.54178","CuKα","","0.0886","0.0866","","","0.2404","0.2438","","","","","","1.048","","","","has coordinates,has disorder","201668","2020-10-21","18:00:00",""
"1547538","5.8614","0.001","27.535","0.005","5.9676","0.001","90","","119.351","0.002","90","","839.5","0.3","100","2","100","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C9 H9 N O S -","- C9 H9 N O S -","- C36 H36 N4 O4 S4 -","4","2","","Malik, Guillaume; Swyka, Robert A.; Tiwari, Virendra K.; Fei, Xiang; Applegate, Gregory A.; Berkowitz, David B.","A Thiocyanopalladation/Carbocyclization Transformation Identified Through Enzymatic Screening: Stereocontrolled Tandem C-SCN and C-C Bond Formation","Chem. Sci.","2017","","","","","10.1039/C7SC04083K","","","1.54178","CuKα","","0.05","0.05","","","0.1283","0.1283","","","","","","1.085","","","","has coordinates","201669","2020-10-21","18:00:00",""
"1547539","16.354","0.006","5.37","0.002","17.896","0.007","90","","92.655","0.008","90","","1570","1","100","2","100","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C15 H16 N2 O2 S2 -","- C15 H16 N2 O2 S2 -","- C60 H64 N8 O8 S8 -","4","1","","Malik, Guillaume; Swyka, Robert A.; Tiwari, Virendra K.; Fei, Xiang; Applegate, Gregory A.; Berkowitz, David B.","A Thiocyanopalladation/Carbocyclization Transformation Identified Through Enzymatic Screening: Stereocontrolled Tandem C-SCN and C-C Bond Formation","Chem. Sci.","2017","","","","","10.1039/C7SC04083K","","","0.71073","MoKα","","0.101","0.0616","","","0.1407","0.1608","","","","","","0.998","","","","has coordinates,has disorder","288505","2023-12-22","15:12:00",""
"1547540","14.21","0.006","14.561","0.001","14.996","0.0017","90","","110.079","0.006","90","","2914.3","1.3","100","2","100","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C26.5 H31 Br2 Cl N2 Ni -","- C26.4999 H30.9998 Br2 Cl0.9998 N2 Ni -","- C106 H123.999 Br8 Cl3.9992 N8 Ni4 -","4","1","","D'Auria, Ilaria; Milione, Stefano; Caruso, Tonino; Balducci, Gabriele; Pellecchia, Claudio","Synthesis of hyperbranched low molecular weight polyethylene oils by an iminopyridine nickel(II) catalyst","Polym. Chem.","2017","","","","","10.1039/C7PY01215B","","","0.7","synchrotron","","0.0442","0.0399","","","0.1078","0.1127","","","","","","1.036","","","","has coordinates,has disorder","201691","2020-10-21","18:00:00",""
"1547541","18.576","0.004","18.576","0.004","7.3728","0.0018","90","","90","","90","","2544.1","1","100","2","100","2","","","","","","","","5","P 42/n c m :2","-P 4ac 2ac","138","","","","- C19.6 H23.4 Co N6.2 O3.2 -","- C16 H12 Co N5 O2 -","- C64 H48 Co4 N20 O8 -","4","0.25","","Basu, Tathamay; Jesche, Anton; Denysenko, Dmytro; Bredenkoetter, Bjoern; Grzywa, Maciej; Volkmer, Dirk; Loidl, Alois; Krohns, Stephan","Magnetodielectric coupling in a non-perovskite metal-organic framework","Mater. Horiz.","2017","","","","","10.1039/C7MH00716G","","","0.71073","MoKα","","0.2073","0.1652","","","0.3527","0.3728","","","","","","1.206","","","","has coordinates","201697","2020-10-21","18:00:00",""
"1547542","20.4648","0.0008","20.4648","0.0008","73.392","0.003","90","","90","","120","","26619.2","1.8","180","0.1","180","0.1","","","","","","","","4","R -3 c","-R 3 2""c","167","","","","- C108 H111 N3 O6 -","- C108 H111 N3 O6 -","- C1296 H1332 N36 O72 -","12","","","Chen, Zhongtao; Zhao, Xiangxiang; Gong, Xinyi; Xu, Di; Ma, Yuguo","Macrocyclic Trinuclear Nickel Phenoxyimine Catalysts for High-Temperature Polymerization of Ethylene and Isospecific Polymerization of Propylene","Macromolecules","2017","50","17","6561","","10.1021/acs.macromol.7b00996","","","0.71073","MoKα","","0.1288","0.0661","","","0.1723","0.1909","","","","","","0.891","","","","has coordinates","215051","2020-10-21","18:00:00",""
"1547543","12.3593","0.0005","16.1724","0.0007","24.4754","0.001","73.141","0.002","77.708","0.002","86.4","0.002","4574.5","0.3","150","2","150","2","","","","","","","synthesis as described","5","P -1","-P 1","2","","","","- C85 H124 K2 Nd2 Si8 -","- C85 H124.04 K2 Nd2 Si8 -","- C170 H248.08 K4 Nd4 Si16 -","2","1","","Laur, Eva; Louyriac, Elisa; Dorcet, Vincent; Welle, Alexandre; Vantomme, Aurélien; Miserque, Olivier; Brusson, Jean-Michel; Maron, Laurent; Carpentier, Jean-François; Kirillov, Evgueni","Substitution Effects in Highly Syndioselective Styrene Polymerization Catalysts Based on Single-Component Allyl ansa-Lanthanidocenes: An Experimental and Theoretical Study","Macromolecules","2017","50","17","6539","","10.1021/acs.macromol.7b00853","","x-ray","0.71073","MoKα","","0.0742","0.0433","","","0.0987","0.1146","","","","","","1.023","","","","has coordinates","201699","2020-10-21","18:00:00",""
"1547544","14.7082","0.001","17.966","0.001","15.8421","0.0011","90","","99.754","0.002","90","","4125.7","0.5","150","2","150","2","","","","","","","synthesis as described","5","P 1 21/n 1","-P 2yn","14","","","","- C42 H63 Nd O Si2 -","- C42 H63 Nd O Si2 -","- C168 H252 Nd4 O4 Si8 -","4","1","","Laur, Eva; Louyriac, Elisa; Dorcet, Vincent; Welle, Alexandre; Vantomme, Aurélien; Miserque, Olivier; Brusson, Jean-Michel; Maron, Laurent; Carpentier, Jean-François; Kirillov, Evgueni","Substitution Effects in Highly Syndioselective Styrene Polymerization Catalysts Based on Single-Component Allyl ansa-Lanthanidocenes: An Experimental and Theoretical Study","Macromolecules","2017","50","17","6539","","10.1021/acs.macromol.7b00853","","x-ray","0.71073","MoKα","","0.1091","0.0473","","","0.0793","0.0983","","","","","","0.981","","","","has coordinates","201699","2020-10-21","18:00:00",""
"1547545","17.7814","0.0008","16.2167","0.0006","17.8483","0.0007","90","","97.383","0.002","90","","5104","0.4","150","","150","","","","","","","","synthesis as described","5","P 1 21/c 1","-P 2ybc","14","","","","- C44 H51 Nd O Si2 -","- C44 H51 Nd O Si2 -","- C176 H204 Nd4 O4 Si8 -","4","1","","Laur, Eva; Louyriac, Elisa; Dorcet, Vincent; Welle, Alexandre; Vantomme, Aurélien; Miserque, Olivier; Brusson, Jean-Michel; Maron, Laurent; Carpentier, Jean-François; Kirillov, Evgueni","Substitution Effects in Highly Syndioselective Styrene Polymerization Catalysts Based on Single-Component Allyl ansa-Lanthanidocenes: An Experimental and Theoretical Study","Macromolecules","2017","50","17","6539","","10.1021/acs.macromol.7b00853","","x-ray","0.71073","MoKα","","0.0763","0.04","","","0.082","0.0944","","","","","","0.95","","","","has coordinates","201699","2020-10-21","18:00:00",""
"1547546","17.331","0.003","10.5012","0.0017","22.516","0.007","90","","100.695","0.012","90","","4026.6","1.6","150","2","150","2","","","","","","","synthesis as described","5","P 1 21/c 1","-P 2ybc","14","","","","- C42 H63 La O Si2 -","- C42 H63 La O Si2 -","- C168 H252 La4 O4 Si8 -","4","1","","Laur, Eva; Louyriac, Elisa; Dorcet, Vincent; Welle, Alexandre; Vantomme, Aurélien; Miserque, Olivier; Brusson, Jean-Michel; Maron, Laurent; Carpentier, Jean-François; Kirillov, Evgueni","Substitution Effects in Highly Syndioselective Styrene Polymerization Catalysts Based on Single-Component Allyl ansa-Lanthanidocenes: An Experimental and Theoretical Study","Macromolecules","2017","50","17","6539","","10.1021/acs.macromol.7b00853","","x-ray","0.71073","MoKα","","0.0947","0.0571","","","0.098","0.1076","","","","","","1.045","","","","has coordinates,has disorder","201699","2020-10-21","18:00:00",""
"1547547","14.6823","0.001","17.9618","0.0011","15.83","0.0011","90","","99.703","0.002","90","","4115","0.5","150","2","150","2","","","","","","","synthesis as described","5","P 1 21/n 1","-P 2yn","14","","","","- C42 H63 O Si2 Sm -","- C42 H63 O Si2 Sm -","- C168 H252 O4 Si8 Sm4 -","4","1","","Laur, Eva; Louyriac, Elisa; Dorcet, Vincent; Welle, Alexandre; Vantomme, Aurélien; Miserque, Olivier; Brusson, Jean-Michel; Maron, Laurent; Carpentier, Jean-François; Kirillov, Evgueni","Substitution Effects in Highly Syndioselective Styrene Polymerization Catalysts Based on Single-Component Allyl ansa-Lanthanidocenes: An Experimental and Theoretical Study","Macromolecules","2017","50","17","6539","","10.1021/acs.macromol.7b00853","","x-ray","0.71073","MoKα","","0.0535","0.0393","","","0.0894","0.0974","","","","","","1.073","","","","has coordinates,has disorder","201699","2020-10-21","18:00:00",""
"1547548","14.7296","0.0011","17.9312","0.0011","15.8834","0.0012","90","","99.596","0.003","90","","4136.4","0.5","150","2","150","2","","","","","","","synthesis as described","5","P 1 21/n 1","-P 2yn","14","","","","- C42 H63 O Pr Si2 -","- C42 H63 O Pr Si2 -","- C168 H252 O4 Pr4 Si8 -","4","1","","Laur, Eva; Louyriac, Elisa; Dorcet, Vincent; Welle, Alexandre; Vantomme, Aurélien; Miserque, Olivier; Brusson, Jean-Michel; Maron, Laurent; Carpentier, Jean-François; Kirillov, Evgueni","Substitution Effects in Highly Syndioselective Styrene Polymerization Catalysts Based on Single-Component Allyl ansa-Lanthanidocenes: An Experimental and Theoretical Study","Macromolecules","2017","50","17","6539","","10.1021/acs.macromol.7b00853","","x-ray","0.71073","MoKα","","0.0766","0.0515","","","0.0946","0.1022","","","","","","1.103","","","","has coordinates","201699","2020-10-21","18:00:00",""
"1547549","9.5747","0.0003","17.4837","0.0005","21.917","0.0008","90","","90","","90","","3668.9","0.2","150","2","150","2","","","","","","","synthesis as described","4","P b c m","-P 2c 2b","57","","","","- C38 H55 Si2 Y -","- C38 H55 Si2 Y -","- C152 H220 Si8 Y4 -","4","0.5","","Laur, Eva; Louyriac, Elisa; Dorcet, Vincent; Welle, Alexandre; Vantomme, Aurélien; Miserque, Olivier; Brusson, Jean-Michel; Maron, Laurent; Carpentier, Jean-François; Kirillov, Evgueni","Substitution Effects in Highly Syndioselective Styrene Polymerization Catalysts Based on Single-Component Allyl ansa-Lanthanidocenes: An Experimental and Theoretical Study","Macromolecules","2017","50","17","6539","","10.1021/acs.macromol.7b00853","","x-ray","0.71073","MoKα","","0.0617","0.0401","","","0.0933","0.102","","","","","","1.02","","","","has coordinates,has disorder","201699","2020-10-21","18:00:00",""
"1547550","8.6067","0.0001","19.0255","0.0002","28.0976","0.0002","90","","90","","90","","4600.89","0.08","150","2","150","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C43 H65 F N6 O10 -","- C43 H65 F N6 O10 -","- C172 H260 F4 N24 O40 -","4","1","","Zhong, Zhihong; Du, Chong; Luo, Zhonghua; Song, Shuaihua; Liao, Gaohong; Yao, Jia; Goldmann, Siegfried; Wang, Zhongqing","Identification, Characterization, Synthesis, and Strategy for Minimization of Potential Impurities Observed in the Synthesis of Solithromycin","Organic Process Research & Development","2017","21","9","1371","","10.1021/acs.oprd.7b00201","","","1.54178","CuKα","","0.0397","0.0342","","","0.0827","0.0862","","","","","","1.051","","","","has coordinates","201700","2020-10-21","18:00:00",""
"1547551","7.5278","0.0006","12.6117","0.0008","13.7183","0.001","90","","90","","90","","1302.39","0.16","293","2","293","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C16 H12 O S -","- C16 H12 O S -","- C64 H48 O4 S4 -","4","1","","Nguyen, Thanh Binh; Retailleau, Pascal","DIPEA-Promoted Reaction of 2-Nitrochalcones with Elemental Sulfur: An Unusual Approach to 2-Benzoylbenzothiophenes.","Organic letters","2017","19","18","4858","4860","10.1021/acs.orglett.7b02321","","","1.54187","CuKα","","0.0696","0.0544","","","0.1299","0.1469","","","","","","1.086","","","","has coordinates","201702","2020-10-21","18:00:00",""
"1547552","14.952","0.003","18.354","0.004","9.4968","0.0019","90","","90","","90","","2606.2","0.9","293","2","293","2","","","","","","","","4","P c c n","-P 2ab 2ac","56","","","","- C14 H16 N2 O -","- C14 H16 N2 O -","- C112 H128 N16 O8 -","8","1","","Zhu, Nengbo; Wang, Ting; Ge, Liang; Li, Yajun; Zhang, Xinhao; Bao, Hongli","γ-Amino Butyric Acid (GABA) Synthesis Enabled by Copper-Catalyzed Carboamination of Alkenes.","Organic letters","2017","19","18","4718","4721","10.1021/acs.orglett.7b01969","","","0.71073","MoKα","","0.1369","0.115","","","0.2576","0.273","","","","","","1.311","","","","has coordinates","201703","2020-10-21","18:00:00",""
"1547553","16.4116","0.0005","5.5613","0.0002","17.4699","0.0005","90","","105.341","0.003","90","","1537.66","0.09","100","0.5","100","0.5","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C18 H18.74 N2 O1.37 -","- C18 H18 N2 O1.369 -","- C72 H72 N8 O5.476 -","4","1","","Zhu, Nengbo; Wang, Ting; Ge, Liang; Li, Yajun; Zhang, Xinhao; Bao, Hongli","γ-Amino Butyric Acid (GABA) Synthesis Enabled by Copper-Catalyzed Carboamination of Alkenes.","Organic letters","2017","19","18","4718","4721","10.1021/acs.orglett.7b01969","","","1.54184","CuKα","","0.0425","0.0347","","","0.0941","0.1011","","","","","","1.018","","","","has coordinates,has disorder","201704","2020-10-21","18:00:00",""
"1547554","7.3313","0.0002","19.6104","0.0005","15.1854","0.0004","90","","98.05","0.002","90","","2161.69","0.1","293","2","293","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C26 H29 O P -","- C26 H29 O P -","- C104 H116 O4 P4 -","4","1","","Hu, Zhengsong; Tian, Rongqiang; Zhao, Kang; Liu, Yanjie; Duan, Zheng; Mathey, François","Generation and Trapping of a 1-Phosphafulvene: An Illustration of the P═C/C═C Analogy.","Organic letters","2017","19","18","5004","5006","10.1021/acs.orglett.7b02574","","","1.5418","CuKα","","0.0539","0.0503","","","0.1473","0.1529","","","","","","1.027","","","","has coordinates","201705","2020-10-21","18:00:00",""
"1547555","5.5574","0.0002","11.2786","0.0004","16.5421","0.0006","90","","99.257","0.001","90","","1023.35","0.06","150","","150","","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C23 H23 Br O3 -","- C23 H23 Br O3 -","- C46 H46 Br2 O6 -","2","1","","Cheng, Yuyu; Han, Yuzhe; Li, Pengfei","Organocatalytic Enantioselective [1 + 4] Annulation of Morita-Baylis-Hillman Carbonates with Electron-Deficient Olefins: Access to Chiral 2,3-Dihydrofuran Derivatives.","Organic letters","2017","19","18","4774","4777","10.1021/acs.orglett.7b02144","","x-ray","1.54178","CuKα","","0.0359","0.0351","","","0.0983","0.099","","","","","","1.133","","","","has coordinates,has disorder","201706","2020-10-21","18:00:00",""
"1547556","9.934","0.002","22.154","0.004","8.9741","0.0018","90","","94.349","0.005","90","","1969.3","0.7","205","","205","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C26 H23 N O -","- C26 H23 N O -","- C104 H92 N4 O4 -","4","1","","Gao, Shang; Liu, Hao; Yang, Chi; Fu, Zhiyuan; Yao, Hequan; Lin, Aijun","Accessing 1,3-Dienes via Palladium-Catalyzed Allylic Alkylation of Pronucleophiles with Skipped Enynes.","Organic letters","2017","19","18","4710","4713","10.1021/acs.orglett.7b01960","","","0.71073","MoKα","","0.1387","0.0623","","","0.1459","0.1816","","","","","","0.985","","","","has coordinates","201707","2020-10-21","18:00:00",""
"1547557","7.3961","0.0005","14.159","0.002","14.7965","0.001","113.245","0.005","93.815","0.002","94.009","0.004","1412.7","0.2","205","","205","","","","","","","","","4","P -1","-P 1","2","","","","- C37 H32 N2 O3 -","- C37 H32 N2 O3 -","- C74 H64 N4 O6 -","2","1","","Gao, Shang; Liu, Hao; Yang, Chi; Fu, Zhiyuan; Yao, Hequan; Lin, Aijun","Accessing 1,3-Dienes via Palladium-Catalyzed Allylic Alkylation of Pronucleophiles with Skipped Enynes.","Organic letters","2017","19","18","4710","4713","10.1021/acs.orglett.7b01960","","","1.54178","CuKα","","0.0412","0.0396","","","0.105","0.1067","","","","","","1.111","","","","has coordinates","201708","2020-10-21","18:00:00",""
"1547558","9.8615","0.0008","12.1461","0.001","14.1071","0.0012","90","","107.15","0.003","90","","1614.6","0.2","223","2","223.15","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C17 H17 N O3 S -","- C17 H17 N O3 S -","- C68 H68 N4 O12 S4 -","4","1","","Lee, Dabon; Kim, Sang Min; Hirao, Hajime; Hong, Soon Hyeok","Gold(I)/Gold(III)-Catalyzed Selective Synthesis of N-Sulfonyl Enaminone Isomers from Sulfonamides and Ynones via Two Distinct Reaction Pathways.","Organic letters","2017","19","18","4734","4737","10.1021/acs.orglett.7b02022","","","0.71073","MoKα","","0.1047","0.0544","","","0.1104","0.129","","","","","","1.027","","","","has coordinates","201709","2020-10-21","18:00:00",""
"1547559","9.82867","0.00019","6.11703","0.00012","11.6406","0.0002","90","","100.472","0.0019","90","","688.2","0.02","123.01","0.1","123.01","0.1","","","","","","","","3","P 1 21 1","P 2yb","4","","","","- C15 H14 O5 -","- C15 H14 O5 -","- C30 H28 O10 -","2","1","","Lehner, Verena; Davies, Huw M. L.; Reiser, Oliver","Rh(II)-Catalyzed Cyclopropanation of Furans and Its Application to the Total Synthesis of Natural Product Derivatives.","Organic letters","2017","19","18","4722","4725","10.1021/acs.orglett.7b02009","","x-ray","1.54184","CuKα","","0.0268","0.0264","","","0.0763","0.0768","","","","","","1.151","","","","has coordinates","201710","2020-10-21","18:00:00",""
"1547560","8.22602","0.00016","15.4712","0.0003","10.0483","0.0002","90","","103.364","0.002","90","","1244.18","0.04","123","0.1","123","0.1","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C14 H16 O4 -","- C14 H16 O4 -","- C56 H64 O16 -","4","1","","Lehner, Verena; Davies, Huw M. L.; Reiser, Oliver","Rh(II)-Catalyzed Cyclopropanation of Furans and Its Application to the Total Synthesis of Natural Product Derivatives.","Organic letters","2017","19","18","4722","4725","10.1021/acs.orglett.7b02009","","x-ray","1.54184","CuKα","","0.035","0.0305","","","0.0753","0.0787","","","","","","1.04","","","","has coordinates","201711","2020-10-21","18:00:00",""
"1547561","8.1779","0.0002","8.8079","0.0002","15.2085","0.0003","90","","90","","90","","1095.47","0.04","122.99","0.1","122.99","0.1","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","Q075","","- C13 H12 O3 -","- C13 H12 O3 -","- C52 H48 O12 -","4","1","","Lehner, Verena; Davies, Huw M. L.; Reiser, Oliver","Rh(II)-Catalyzed Cyclopropanation of Furans and Its Application to the Total Synthesis of Natural Product Derivatives.","Organic letters","2017","19","18","4722","4725","10.1021/acs.orglett.7b02009","","x-ray","1.54184","CuKα","","0.0258","0.024","","","0.06","0.0611","","","","","","1.078","","","","has coordinates","201712","2020-10-21","18:00:00",""
"1547562","16.4819","0.0002","5.7733","0.0001","14.4387","0.0002","90","","106.49","0.001","90","","1317.4","0.03","123","0.1","123","0.1","","","","","","","","3","C 1 2 1","C 2y","5","","","","- C15 H14 O5 -","- C15 H14 O5 -","- C60 H56 O20 -","4","1","","Lehner, Verena; Davies, Huw M. L.; Reiser, Oliver","Rh(II)-Catalyzed Cyclopropanation of Furans and Its Application to the Total Synthesis of Natural Product Derivatives.","Organic letters","2017","19","18","4722","4725","10.1021/acs.orglett.7b02009","","x-ray","1.54184","CuKα","","0.0302","0.0287","","","0.0738","0.0751","","","","","","1.047","","","","has coordinates,has disorder","201713","2020-10-21","18:00:00",""
"1547563","10.6766","0.0009","10.7779","0.0008","15.8861","0.0009","79.719","0.005","73.665","0.006","77.959","0.007","1701.6","0.2","173","2","173","2","","","","","","","","5","P -1","-P 1","2","","","","- C40 H35 Br N4 O3 -","- C40 H35 Br N4 O3 -","- C80 H70 Br2 N8 O6 -","2","1","","Liu, Honglei; Jia, Hao; Wang, Bo; Xiao, Yumei; Guo, Hongchao","Synthesis of Spirobidihydropyrazole through Double 1,3-Dipolar Cycloaddition of Nitrilimines with Allenoates.","Organic letters","2017","19","18","4714","4717","10.1021/acs.orglett.7b01961","","","0.71073","MoKα","","0.072","0.0502","","","0.1084","0.1201","","","","","","1.027","","","","has coordinates","201714","2020-10-21","18:00:00",""
"1547564","9.704","0.003","18.77","0.005","17","0.004","90","","102.647","0.005","90","","3021.3","1.4","173.15","","173.15","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C39 H34 N4 O2 -","- C39 H34 N4 O2 -","- C156 H136 N16 O8 -","4","1","","Liu, Honglei; Jia, Hao; Wang, Bo; Xiao, Yumei; Guo, Hongchao","Synthesis of Spirobidihydropyrazole through Double 1,3-Dipolar Cycloaddition of Nitrilimines with Allenoates.","Organic letters","2017","19","18","4714","4717","10.1021/acs.orglett.7b01961","","","0.71073","MoKα","","0.103","0.0785","","","0.1164","0.1241","","","","","","1.208","","","","has coordinates,has disorder","201715","2020-10-21","18:00:00",""
"1547565","8.198","0.003","10.441","0.004","13.934","0.005","101.832","0.007","96.687","0.009","104.041","0.008","1115","0.7","100","2","100","2","","","","","","","","5","P 1","P 1","1","","","","- C46 H11 Cl5 F20 S4 -","- C46 H11 Cl5 F20 S4 -","- C46 H11 Cl5 F20 S4 -","1","1","","Panchal, Santosh P.; Anand, Venkataramanarao G.","Oxidative Transformation of a Tetrathia S-Confused Isophlorin into Porphyrin Cation.","Organic letters","2017","19","18","4854","4857","10.1021/acs.orglett.7b02317","","","0.71073","MoKα","","0.1227","0.0843","","","0.2099","0.2298","","","","","","1.342","","","","has coordinates","201716","2020-10-21","18:00:00",""
"1547566","3.8868","0.0003","5.4329","0.0005","10.8693","0.001","90","","97.068","0.005","90","","227.78","0.03","110","2","110","2","","","","","","","","4","P 1 n 1","P -2yac","7","","","","- C4 H4 N2 O2 -","- C4 H4 N2 O2 -","- C8 H8 N4 O4 -","2","1","","Rozen, Shlomo; Shaffer, Avshalom","Synthesis of N,N-Dioxopyridazines.","Organic letters","2017","19","18","4707","4709","10.1021/acs.orglett.7b02310","","","0.71073","MoKα","","0.0316","0.0292","","","0.071","0.0731","","","","","","1.092","","","","has coordinates","201717","2020-10-21","18:00:00",""
"1547567","7.8451","0.0004","8.3042","0.0004","11.06","0.0006","76.583","0.002","88.533","0.002","75.925","0.002","679.46","0.06","173","2","173","2","","","","","","","","4","P 1","P 1","1","","","","- C15 H14 O3 S -","- C15 H14 O3 S -","- C30 H28 O6 S2 -","2","2","","Xia, Jingzhao; Nie, Yu; Yang, Guoqiang; Liu, Yangang; Zhang, Wanbin","Iridium-Catalyzed Asymmetric Hydrogenation of 2H-Chromenes: A Highly Enantioselective Approach to Isoflavan Derivatives.","Organic letters","2017","19","18","4884","4887","10.1021/acs.orglett.7b02341","","","1.54178","CuKα","","0.0451","0.0414","","","0.1217","0.1269","","","","","","1.032","","","","has coordinates","201718","2020-10-21","18:00:00",""
"1547568","5.7624","0.0001","22.9736","0.0006","9.5587","0.0002","90","","106.003","0.001","90","","1216.37","0.05","173","2","173","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C15 H13 Cl O -","- C15 H13 Cl O -","- C60 H52 Cl4 O4 -","4","2","","Xia, Jingzhao; Nie, Yu; Yang, Guoqiang; Liu, Yangang; Zhang, Wanbin","Iridium-Catalyzed Asymmetric Hydrogenation of 2H-Chromenes: A Highly Enantioselective Approach to Isoflavan Derivatives.","Organic letters","2017","19","18","4884","4887","10.1021/acs.orglett.7b02341","","","1.54178","CuKα","","0.0251","0.0244","","","0.0738","0.0749","","","","","","0.661","","","","has coordinates","201719","2020-10-21","18:00:00",""
"1547569","10.179","0.017","10.178","0.017","14.35","0.02","95.75","0.012","95.75","0.02","107.27","0.02","1399","4","173","2","173","2","","","","","","","","4","P -1","-P 1","2","","","","- C33 H28 P2 S2 -","- C33 H28 P2 S2 -","- C66 H56 P4 S4 -","2","1","","Otomura, Nobutaka; Okugawa, Yuto; Hirano, Koji; Miura, Masahiro","vic-Diphosphination of Alkenes with Silylphosphine under Visible-Light-Promoted Photoredox Catalysis.","Organic letters","2017","19","18","4802","4805","10.1021/acs.orglett.7b02223","","","0.71075","MoKα","","0.0663","0.057","","","0.106","0.1099","","","","","","1.206","","","","has coordinates,has disorder","201720","2020-10-21","18:00:00",""
"1547570","10.1944","0.0002","6.53348","0.00013","13.5748","0.0003","90","","95.12","0.002","90","","900.54","0.03","125","11","125","11","","","","","","","","3","P 1 21 1","P 2yb","4","","","","- C20 H30 O3 -","- C20 H30 O3 -","- C40 H60 O6 -","2","1","","Xu, Bo; Xun, Wen; Wang, Tingzhong; Qiu, Fayang G.","Total Synthesis of (+)-Aplykurodinone-1.","Organic letters","2017","19","18","4861","4863","10.1021/acs.orglett.7b02350","","x-ray","1.54184","CuKα","","0.0467","0.0419","","","0.105","0.1101","","","","","","1.071","","","","has coordinates","201721","2020-10-21","18:00:00",""
"1547571","10.8093","0.0007","12.3197","0.0011","14.2754","0.0008","88.759","0.006","86.694","0.005","66.762","0.007","1743.9","0.2","119.97","0.18","119.97","0.18","","","","","","","","5","P -1","-P 1","2","","","","- C32 H50 Cu N4 O10 -","- C32 H50 Cu N4 O10 -","- C64 H100 Cu2 N8 O20 -","2","1","","Tan, Guangying; Zhang, Luoqiang; Liao, Xingrong; Shi, Yang; Wu, Yimin; Yang, Yudong; You, Jingsong","Copper- or Nickel-Enabled Oxidative Cross-Coupling of Unreactive C(sp(3))-H Bonds with Azole C(sp(2))-H Bonds: Rapid Access to β-Azolyl Propanoic Acid Derivatives.","Organic letters","2017","19","18","4830","4833","10.1021/acs.orglett.7b02265","","x-ray","0.71073","MoKα","","0.1242","0.1055","","","0.2801","0.2911","","","","","","1.126","","","","has coordinates","201722","2020-10-21","18:00:00",""
"1547572","7.4193","0.001","12.1143","0.0013","17.167","0.002","90","","90","","90","","1543","0.3","293","2","293","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C17 H23 Br O -","- C17 H23 Br O -","- C68 H92 Br4 O4 -","4","1","","Grayfer, Tatyana D.; Retailleau, Pascal; Dodd, Robert H.; Dubois, Joëlle; Cariou, Kevin","Chemodivergent, Tunable, and Selective Iodine(III)-Mediated Bromo-Functionalizations of Polyprenoids.","Organic letters","2017","19","18","4766","4769","10.1021/acs.orglett.7b02125","","x-ray","0.71073","MoKα","","0.1005","0.0469","","","0.0795","0.0918","","","","","","1.007","","","","has coordinates","201723","2020-10-21","18:00:00",""
"1547573","7.4409","0.0005","10.1018","0.0012","11.3589","0.0009","68.534","0.009","75.635","0.007","69.502","0.009","737.19","0.13","293","2","293","2","","","","","","","","3","P -1","-P 1","2","","","","- C17 H23 Br -","- C17 H23 Br -","- C34 H46 Br2 -","2","1","","Grayfer, Tatyana D.; Retailleau, Pascal; Dodd, Robert H.; Dubois, Joëlle; Cariou, Kevin","Chemodivergent, Tunable, and Selective Iodine(III)-Mediated Bromo-Functionalizations of Polyprenoids.","Organic letters","2017","19","18","4766","4769","10.1021/acs.orglett.7b02125","","x-ray","0.71073","MoKα","","0.0393","0.0314","","","0.073","0.0765","","","","","","1.033","","","","has coordinates","201724","2020-10-21","18:00:00",""
"1547574","19.772","0.002","6.1368","0.0007","23.6786","0.0019","90","","94.152","0.008","90","","2865.5","0.5","293","2","293","2","","","","","","","","3","I 1 2/a 1","-I 2ya","15","","","","- C16 H21 Br -","- C16 H21 Br -","- C128 H168 Br8 -","8","1","","Grayfer, Tatyana D.; Retailleau, Pascal; Dodd, Robert H.; Dubois, Joëlle; Cariou, Kevin","Chemodivergent, Tunable, and Selective Iodine(III)-Mediated Bromo-Functionalizations of Polyprenoids.","Organic letters","2017","19","18","4766","4769","10.1021/acs.orglett.7b02125","","x-ray","0.71073","MoKα","","0.1255","0.0557","","","0.0923","0.1114","","","","","","1.008","","","","has coordinates","201725","2020-10-21","18:00:00",""
"1547575","11.5902","0.0018","7.8925","0.0011","25.534","0.004","90","","96.954","0.003","90","","2318.6","0.6","296","2","296","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C25 H22 N2 O6 -","- C25 H22 N2 O6 -","- C100 H88 N8 O24 -","4","2","","Yuan, Yang; Yu, Bo; Bai, Xing-Feng; Xu, Zheng; Zheng, Zhan-Jiang; Cui, Yu-Ming; Cao, Jian; Xu, Li-Wen","Asymmetric Synthesis of Glutamic Acid Derivatives by Silver-Catalyzed Conjugate Addition-Elimination Reactions.","Organic letters","2017","19","18","4896","4899","10.1021/acs.orglett.7b02378","","","0.71073","MoKα","","0.0868","0.0499","","","0.1151","0.1374","","","","","","1.007","","","","has coordinates","201726","2020-10-21","18:00:00",""
"1547576","7.04","0.009","7.063","0.009","10.762","0.013","83.24","0.02","79.64","0.02","79.5","0.02","515.6","1.1","296","2","296","2","","","","","","","","5","P 1","P 1","1","","","","- C21 H19 Br N2 O6 -","- C21 H19 Br N2 O6 -","- C21 H19 Br N2 O6 -","1","1","","Yuan, Yang; Yu, Bo; Bai, Xing-Feng; Xu, Zheng; Zheng, Zhan-Jiang; Cui, Yu-Ming; Cao, Jian; Xu, Li-Wen","Asymmetric Synthesis of Glutamic Acid Derivatives by Silver-Catalyzed Conjugate Addition-Elimination Reactions.","Organic letters","2017","19","18","4896","4899","10.1021/acs.orglett.7b02378","","","0.71073","MoKα","","0.0835","0.077","","","0.2095","0.2247","","","","","","1.062","","","","has coordinates","201727","2020-10-21","18:00:00",""
"1547577","13.7489","0.0006","12.7062","0.0005","34.5595","0.0014","90","","90","","90","","6037.4","0.4","296","2","296","2","","","","","","","","4","P b c n","-P 2n 2ab","60","","","","- C37 H26 O2 S -","- C37 H26 O2 S -","- C296 H208 O16 S8 -","8","1","","Wang, Ming; Chen, Shihao; Jiang, Xuefeng","Construction of Functionalized Annulated Sulfone via SO2/I Exchange of Cyclic Diaryliodonium Salts.","Organic letters","2017","19","18","4916","4919","10.1021/acs.orglett.7b02388","","","0.71073","MoKα","","0.0974","0.0561","","","0.1262","0.1424","","","","","","1.091","","","","has coordinates","201728","2020-10-21","18:00:00",""
"1547578","11.6687","0.0008","8.3221","0.0005","12.6959","0.0008","90","","101.677","0.002","90","","1207.36","0.13","296","2","296","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C15 H12 O2 S -","- C15 H12 O2 S -","- C60 H48 O8 S4 -","4","1","","Wang, Ming; Chen, Shihao; Jiang, Xuefeng","Construction of Functionalized Annulated Sulfone via SO2/I Exchange of Cyclic Diaryliodonium Salts.","Organic letters","2017","19","18","4916","4919","10.1021/acs.orglett.7b02388","","","0.71073","MoKα","","0.0386","0.0329","","","0.087","0.092","","","","","","1.039","","","","has coordinates","201729","2020-10-21","18:00:00",""
"1547579","5.539","0.0002","15.1853","0.0006","24.1953","0.0012","90","","91.286","0.001","90","","2034.59","0.15","103","2","103","2","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","","","- C27 H18 O7 -","- C27 H18 O7 -","- C108 H72 O28 -","4","1","","Sasaki, Sayaka; Azuma, Eriko; Sasamori, Takahiro; Tokitoh, Norihiro; Kuramochi, Kouji; Tsubaki, Kazunori","Formation of Phenalenone Skeleton by an Unusual Rearrangement Reaction.","Organic letters","2017","19","18","4846","4849","10.1021/acs.orglett.7b02305","","","0.71075","MoKα","","0.107","0.0739","","","0.1825","0.2061","","","","","","1.08","","","","has coordinates","201730","2020-10-21","18:00:00",""
"1547580","5.0624","0.0007","10.961","0.003","26.361","0.004","90","","90","","90","","1462.7","0.5","100","2","100","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C15 H20 F N O3 -","- C15 H20 F N O3 -","- C60 H80 F4 N4 O12 -","4","1","","Zhang, Wandi; Chen, Weijie; Xiao, Hongde; Krische, Michael J.","Carbonyl anti-(α-Amino)allylation via Ruthenium Catalyzed Hydrogen Autotransfer: Use of an Acetylenic Pyrrole as an Allylmetal Pronucleophile.","Organic letters","2017","19","18","4876","4879","10.1021/acs.orglett.7b02336","","","1.54184","CuKα","","0.1075","0.0859","","","0.206","0.2259","","","","","","1.115","","","","has coordinates","201731","2020-10-21","18:00:00",""
"1547581","13.308","0.008","15.883","0.01","19.472","0.013","90","","90","","90","","4116","5","109","","109","","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C51 H42 Cl2 N4 Pd -","- C51 H42 Cl2 N4 Pd -","- C204 H168 Cl8 N16 Pd4 -","4","1","","Nozawa, Ryo; Shinokubo, Hiroshi","Synthesis and Properties of meso-Arylated Corrphycenes.","Organic letters","2017","19","18","4928","4931","10.1021/acs.orglett.7b02390","","","0.71073","MoKα","","0.0351","0.0316","","","0.101","0.1052","","","","","","0.913","","","","has coordinates","201732","2020-10-21","18:00:00",""
"1547582","15.3885","0.0017","7.1222","0.0008","30.3","0.004","90","","90","","90","","3320.9","0.7","100","2","100","2","","","","","","","","5","P n a 21","P 2c -2n","33","","","","- C19 H19 Br N2 O -","- C19 H19 Br N2 O -","- C152 H152 Br8 N16 O8 -","8","2","","Zhao, Jie; Zhao, Xiao-Jing; Cao, Pei; Liu, Ji-Kai; Wu, Bin","Polycyclic Azetidines and Pyrrolidines via Palladium-Catalyzed Intramolecular Amination of Unactivated C(sp3)-H Bonds.","Organic letters","2017","19","18","4880","4883","10.1021/acs.orglett.7b02339","","","0.71073","MoKα","","0.0875","0.0721","","","0.1829","0.1948","","","","","","1.055","","","","has coordinates","201733","2020-10-21","18:00:00",""
"1547583","6.1299","0.0002","13.8742","0.0004","15.703","0.0004","90","","90","","90","","1335.5","0.07","100","2","100","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C16 H20 N2 O -","- C16 H20 N2 O -","- C64 H80 N8 O4 -","4","1","","Zhao, Jie; Zhao, Xiao-Jing; Cao, Pei; Liu, Ji-Kai; Wu, Bin","Polycyclic Azetidines and Pyrrolidines via Palladium-Catalyzed Intramolecular Amination of Unactivated C(sp3)-H Bonds.","Organic letters","2017","19","18","4880","4883","10.1021/acs.orglett.7b02339","","","1.54178","CuKα","","0.0489","0.0485","","","0.1667","0.1679","","","","","","1.1","","","","has coordinates","201734","2020-10-21","18:00:00",""
"1547584","13.7527","0.0013","9.8191","0.0009","22.826","0.002","90","","90","","90","","3082.4","0.5","100","2","100","2","","","","","","","","4","P c a 21","P 2c -2ac","29","","","","- C19 H20 N2 O -","- C19 H20 N2 O -","- C152 H160 N16 O8 -","8","2","","Zhao, Jie; Zhao, Xiao-Jing; Cao, Pei; Liu, Ji-Kai; Wu, Bin","Polycyclic Azetidines and Pyrrolidines via Palladium-Catalyzed Intramolecular Amination of Unactivated C(sp3)-H Bonds.","Organic letters","2017","19","18","4880","4883","10.1021/acs.orglett.7b02339","","","0.71073","MoKα","","0.0432","0.0381","","","0.0967","0.1003","","","","","","1.015","","","","has coordinates","201735","2020-10-21","18:00:00",""
"1547585","6.1525","0.0011","9.8018","0.0017","10.5143","0.0019","99.556","0.002","103.113","0.002","102.27","0.002","587.94","0.18","100","2","100","2","","","","","","","","4","P -1","-P 1","2","","","","- C13 H14 N2 O3 -","- C13 H14 N2 O3 -","- C26 H28 N4 O6 -","2","1","","Zhao, Jie; Zhao, Xiao-Jing; Cao, Pei; Liu, Ji-Kai; Wu, Bin","Polycyclic Azetidines and Pyrrolidines via Palladium-Catalyzed Intramolecular Amination of Unactivated C(sp3)-H Bonds.","Organic letters","2017","19","18","4880","4883","10.1021/acs.orglett.7b02339","","","0.71073","MoKα","","0.0449","0.0387","","","0.1133","0.118","","","","","","1.097","","","","has coordinates","201736","2020-10-21","18:00:00",""
"1547586","13.8893","0.0018","8.4698","0.0011","12.0582","0.0016","90","","107.287","0.002","90","","1354.4","0.3","100","2","100","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C15 H18 N2 O3 -","- C15 H18 N2 O3 -","- C60 H72 N8 O12 -","4","1","","Zhao, Jie; Zhao, Xiao-Jing; Cao, Pei; Liu, Ji-Kai; Wu, Bin","Polycyclic Azetidines and Pyrrolidines via Palladium-Catalyzed Intramolecular Amination of Unactivated C(sp3)-H Bonds.","Organic letters","2017","19","18","4880","4883","10.1021/acs.orglett.7b02339","","","0.71073","MoKα","","0.0745","0.0485","","","0.122","0.1407","","","","","","1.036","","","","has coordinates","201737","2020-10-21","18:00:00",""
"1547587","6.3959","0.0007","8.7834","0.001","17.916","0.002","90","","100.037","0.005","90","","991.08","0.19","170","2","170","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C21 H26 N2 O3 S -","- C21 H26 N2 O3 S -","- C42 H52 N4 O6 S2 -","2","1","","Mwenda, Edward T.; Nguyen, Hien M.","Enantioselective Synthesis of 1,2-Diamines Containing Tertiary and Quaternary Centers through Rhodium-Catalyzed DYKAT of Racemic Allylic Trichloroacetimidates.","Organic letters","2017","19","18","4814","4817","10.1021/acs.orglett.7b02256","","","0.71073","MoKα","","0.0352","0.0322","","","0.076","0.0779","","","","","","1.048","","","","has coordinates,has disorder","201738","2020-10-21","18:00:00",""
"1547588","6.3983","0.0006","8.7684","0.0009","17.9628","0.0018","90","","99.675","0.005","90","","993.43","0.17","190","2","190","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C21 H26 N2 O3 S -","- C21 H26 N2 O3 S -","- C42 H52 N4 O6 S2 -","2","1","","Mwenda, Edward T.; Nguyen, Hien M.","Enantioselective Synthesis of 1,2-Diamines Containing Tertiary and Quaternary Centers through Rhodium-Catalyzed DYKAT of Racemic Allylic Trichloroacetimidates.","Organic letters","2017","19","18","4814","4817","10.1021/acs.orglett.7b02256","","","0.71073","MoKα","","0.0454","0.0355","","","0.0818","0.0871","","","","","","1.021","","","","has coordinates,has disorder","201739","2020-10-21","18:00:00",""
"1547589","5.9123","0.0002","16.6068","0.0008","23.602","0.0008","90","","90","","90","","2317.35","0.16","291.17","0.1","291.17","0.1","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C26 H21 Cl N3 O3 -","- C26 H21 Cl N3 O3 -","- C104 H84 Cl4 N12 O12 -","4","1","","Wang, Jie; Wang, Pengxin; Wang, Linqing; Li, Dan; Wang, Kezhou; Wang, Yuan; Zhu, Haiyong; Yang, Dongxu; Wang, Rui","Nickel-Mediated Asymmetric Allylic Alkylation between Nitroallylic Acetates and Acyl Imidazoles.","Organic letters","2017","19","18","4826","4829","10.1021/acs.orglett.7b02264","","x-ray","0.71073","MoKα","","0.083","0.0577","","","0.1117","0.1287","","","","","","1.054","","","","has coordinates","201740","2020-10-21","18:00:00",""
"1547590","8.8731","0.0013","9.0666","0.0013","15.314","0.002","91.196","0.004","99.999","0.003","115.544","0.003","1088.3","0.3","173","2","173","2","","","","","","","","5","P -1","-P 1","2","","Ethyl 5-amino-3-(fluoro(trifluoromethoxy)methyl)isoxazole-4-carboxylate","","- C8 H8 F4 N2 O4 -","- C8 H8 F4 N2 O4 -","- C32 H32 F16 N8 O16 -","4","2","","Schmitt, Etienne; Bouvet, Sébastien; Pégot, Bruce; Panossian, Armen; Vors, Jean-Pierre; Pazenok, Sergii; Magnier, Emmanuel; Leroux, Frédéric R","Fluoroalkyl Amino Reagents for the Introduction of the Fluoro(trifluoromethoxy)methyl Group onto Arenes and Heterocycles.","Organic letters","2017","19","18","4960","4963","10.1021/acs.orglett.7b02444","","","0.71073","MoKα","","0.2389","0.1115","","","0.1872","0.231","","","","","","1.036","","","","has coordinates","201741","2020-10-21","18:00:00",""
"1547591","19.295","0.003","20.238","0.002","21.0495","0.0019","90.57","0.008","100.738","0.011","116.476","0.014","7188.2","1.8","293","2","293","2","","","","","","","","5","P -1","-P 1","2","Cu-P6","","","- C78 H64 Cl2 Cu2 P4 -","- C78 H64 Cl2 Cu2 P4 -","- C312 H256 Cl8 Cu8 P16 -","4","2","","You, Zhensheng; Li, Heng; Zhang, Lijun; Yu, Bing; Zhang, Jin; Wu, Xiaoming","A Host Material for Deep-Blue Electrophosphorescence Based on a Cuprous Metal‒Organic Framework","The Journal of Physical Chemistry C","2017","121","41","23072","","10.1021/acs.jpcc.7b07627","","","0.71073","MoKα","","0.2529","0.12","","","0.2434","0.3221","","","","","","1.012","","","","has coordinates","202765","2020-10-21","18:00:00",""
"1547592","12.8077","0.001","17.5384","0.0013","19.331","0.0014","90","","90","","90","","4342.3","0.6","130","","130","","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C47 H59 N3 O2 Si2 Zn -","- C47 H59 N3 O2 Si2 Zn -","- C188 H236 N12 O8 Si8 Zn4 -","4","1","","Kan, Chao; Hu, Jianwen; Huang, Yang; Wang, Haobing; Ma, Haiyan","Highly Isoselective and Active Zinc Catalysts for rac-Lactide Polymerization: Effect of Pendant Groups of Aminophenolate Ligands","Macromolecules","2017","50","20","7911","","10.1021/acs.macromol.7b01420","","","0.71073","MoKα","","0.0907","0.0789","","","0.184","0.1952","","","","","","1.033","","","","has coordinates","203996","2020-10-21","18:00:00",""
"1547593","11.2307","0.001","16.3927","0.0015","23.767","0.002","90","","90","","90","","4375.5","0.7","130","","130","","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C48 H59 N3 O2 Si2 Zn -","- C48 H59 N3 O2 Si2 Zn -","- C192 H236 N12 O8 Si8 Zn4 -","4","1","","Kan, Chao; Hu, Jianwen; Huang, Yang; Wang, Haobing; Ma, Haiyan","Highly Isoselective and Active Zinc Catalysts for rac-Lactide Polymerization: Effect of Pendant Groups of Aminophenolate Ligands","Macromolecules","2017","50","20","7911","","10.1021/acs.macromol.7b01420","","","0.71073","MoKα","","0.0632","0.0461","","","0.1051","0.1138","","","","","","1.001","","","","has coordinates","203996","2020-10-21","18:00:00",""
"1547594","12.8617","0.0011","16.661","0.0015","12.9222","0.0011","90","","116.765","0.002","90","","2472.4","0.4","296","2","296.15","","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C53 H63 N3 O2 Si2 Zn -","- C53 H63 N3 O2 Si2 Zn -","- C106 H126 N6 O4 Si4 Zn2 -","2","1","","Kan, Chao; Hu, Jianwen; Huang, Yang; Wang, Haobing; Ma, Haiyan","Highly Isoselective and Active Zinc Catalysts for rac-Lactide Polymerization: Effect of Pendant Groups of Aminophenolate Ligands","Macromolecules","2017","50","20","7911","","10.1021/acs.macromol.7b01420","","","0.71073","MoKα","","0.0882","0.0433","","","0.0767","0.0894","","","","","","0.95","","","","has coordinates","203996","2020-10-21","18:00:00",""
"1547595","11.216","0.002","16.373","0.003","23.726","0.004","90","","90","","90","","4357","1.3","133","2","133","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C48 H59 N3 O2 Si2 Zn -","- C48 H59 N3 O2 Si2 Zn -","- C192 H236 N12 O8 Si8 Zn4 -","4","1","","Kan, Chao; Hu, Jianwen; Huang, Yang; Wang, Haobing; Ma, Haiyan","Highly Isoselective and Active Zinc Catalysts for rac-Lactide Polymerization: Effect of Pendant Groups of Aminophenolate Ligands","Macromolecules","2017","50","20","7911","","10.1021/acs.macromol.7b01420","","","0.71073","MoKα","","0.1061","0.0513","","","0.0896","0.1039","","","","","","0.948","","","","has coordinates","203996","2020-10-21","18:00:00",""
"1547596","14.1487","0.0011","14.3923","0.0011","14.474","0.0011","73.384","0.001","63.551","0.001","62.883","0.002","2336","0.3","130","","130","","","","","","","","","6","P -1","-P 1","2","","","","- C52 H63 N3 O2 Si2 Zn -","- C52 H63 N3 O2 Si2 Zn -","- C104 H126 N6 O4 Si4 Zn2 -","2","1","","Kan, Chao; Hu, Jianwen; Huang, Yang; Wang, Haobing; Ma, Haiyan","Highly Isoselective and Active Zinc Catalysts for rac-Lactide Polymerization: Effect of Pendant Groups of Aminophenolate Ligands","Macromolecules","2017","50","20","7911","","10.1021/acs.macromol.7b01420","","","0.71073","MoKα","","0.0904","0.0547","","","0.1278","0.1439","","","","","","1.031","","","","has coordinates","203996","2020-10-21","18:00:00",""
"1547597","9.856","0.0012","14.0642","0.0016","31.121","0.004","90","","99.082","0.002","90","","4259.8","0.9","130","","130","","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C45 H55 N3 O2 Si2 Zn -","- C45 H55 N3 O2 Si2 Zn -","- C180 H220 N12 O8 Si8 Zn4 -","4","1","","Kan, Chao; Hu, Jianwen; Huang, Yang; Wang, Haobing; Ma, Haiyan","Highly Isoselective and Active Zinc Catalysts for rac-Lactide Polymerization: Effect of Pendant Groups of Aminophenolate Ligands","Macromolecules","2017","50","20","7911","","10.1021/acs.macromol.7b01420","","","0.71073","MoKα","","0.1191","0.06","","","0.1141","0.133","","","","","","1.025","","","","has coordinates","203996","2020-10-21","18:00:00",""
"1547598","11.974","0.002","14.298","0.003","15.031","0.003","72.657","0.004","79.561","0.004","86.664","0.004","2415.7","0.8","130","2","130","","","","","","","","","6","P -1","-P 1","2","","","","- C47 H57 N3 O2 Si2 Zn -","- C47 H57 N3 O2 Si2 Zn -","- C94 H114 N6 O4 Si4 Zn2 -","2","1","","Kan, Chao; Hu, Jianwen; Huang, Yang; Wang, Haobing; Ma, Haiyan","Highly Isoselective and Active Zinc Catalysts for rac-Lactide Polymerization: Effect of Pendant Groups of Aminophenolate Ligands","Macromolecules","2017","50","20","7911","","10.1021/acs.macromol.7b01420","","","0.71073","MoKα","","0.1264","0.0597","","","0.1131","0.1285","","","","","","0.846","","","","has coordinates","203996","2020-10-21","18:00:00",""
"1547599","9.4767","0.0016","15.378","0.002","10.8957","0.0019","90","","111.006","0.003","90","","1482.3","0.4","133","2","133","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C19 H17 Fe N O2 -","- C19 H17 Fe N O2 -","- C76 H68 Fe4 N4 O8 -","4","1","","Liu, Yang; Xu, Jiancong; Zhang, Jinling; Xu, Xiaohua; Jin, Zhong","Intramolecular Direct C-H Arylation via a Metallocenic Radical Pathway: Stereospecific Approach to Planar-Chiral Ferrocenes.","Organic letters","2017","19","20","5709","5712","10.1021/acs.orglett.7b02995","","","0.71073","MoKα","","0.0299","0.028","","","0.0708","0.0725","","","","","","1.042","","","","has coordinates","202829","2020-10-21","18:00:00",""
"1547600","6.067","0.004","13.753","0.01","17.502","0.012","90","","99.914","0.009","90","","1438.6","1.7","133","2","133","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C18 H13 Fe N O3 -","- C18 H13 Fe N O3 -","- C72 H52 Fe4 N4 O12 -","4","1","","Liu, Yang; Xu, Jiancong; Zhang, Jinling; Xu, Xiaohua; Jin, Zhong","Intramolecular Direct C-H Arylation via a Metallocenic Radical Pathway: Stereospecific Approach to Planar-Chiral Ferrocenes.","Organic letters","2017","19","20","5709","5712","10.1021/acs.orglett.7b02995","","","0.71073","MoKα","","0.0291","0.0263","","","0.0736","0.0754","","","","","","1.058","","","","has coordinates","202829","2020-10-21","18:00:00",""
"1547601","19.945","0.004","8.3402","0.0018","17.264","0.004","90","","91.165","0.005","90","","2871.2","1.1","128","2","128","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C19 H17 Fe N O -","- C19 H17 Fe N O -","- C152 H136 Fe8 N8 O8 -","8","2","","Liu, Yang; Xu, Jiancong; Zhang, Jinling; Xu, Xiaohua; Jin, Zhong","Intramolecular Direct C-H Arylation via a Metallocenic Radical Pathway: Stereospecific Approach to Planar-Chiral Ferrocenes.","Organic letters","2017","19","20","5709","5712","10.1021/acs.orglett.7b02995","","","0.71073","MoKα","","0.0302","0.0251","","","0.067","0.0691","","","","","","1.028","","","","has coordinates","202829","2020-10-21","18:00:00",""
"1547602","5.5743","0.0006","8.0878","0.0011","12.3099","0.0011","107.2","0.01","93.657","0.008","103.638","0.01","509.85","0.11","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C11 H9 F2 N O2 -","- C11 H9 F2 N O2 -","- C22 H18 F4 N2 O4 -","2","1","","Peng, Shan-Qing; Zhang, Xiao-Wei; Zhang, Long; Hu, Xiang-Guo","Esterification of Carboxylic Acids with Difluoromethyl Diazomethane and Interrupted Esterification with Trifluoromethyl Diazomethane: A Fluorine Effect.","Organic letters","2017","19","20","5689","5692","10.1021/acs.orglett.7b02866","","","0.71073","MoKα","","0.0714","0.0557","","","0.1323","0.1474","","","","","","1.069","","","","has coordinates","202833","2020-10-21","18:00:00",""
"1547603","9.715","0.004","9.964","0.004","21.348","0.007","90.371","0.006","94.727","0.007","104.841","0.005","1989.9","1.3","173","2","173.15","","","","","","","","","5","P -1","-P 1","2","","","","- C24 H20 F3 N O2 -","- C24 H20 F3 N O2 -","- C96 H80 F12 N4 O8 -","4","2","","Peng, Shan-Qing; Zhang, Xiao-Wei; Zhang, Long; Hu, Xiang-Guo","Esterification of Carboxylic Acids with Difluoromethyl Diazomethane and Interrupted Esterification with Trifluoromethyl Diazomethane: A Fluorine Effect.","Organic letters","2017","19","20","5689","5692","10.1021/acs.orglett.7b02866","","","0.71073","MoKα","","0.1094","0.0913","","","0.1271","0.1329","","","","","","1.301","","","","has coordinates","202833","2020-10-21","18:00:00",""
"1547604","15.9119","0.0006","15.9119","0.0006","20.3939","0.0014","90","","90","","120","","4471.7","0.4","293","2","293","2","","","","","","","","5","P 65","P 65","170","","","","- C9 H7 F2 N O4 -","- C9 H7 F2 N O4 -","- C162 H126 F36 N18 O72 -","18","3","","Peng, Shan-Qing; Zhang, Xiao-Wei; Zhang, Long; Hu, Xiang-Guo","Esterification of Carboxylic Acids with Difluoromethyl Diazomethane and Interrupted Esterification with Trifluoromethyl Diazomethane: A Fluorine Effect.","Organic letters","2017","19","20","5689","5692","10.1021/acs.orglett.7b02866","","","0.71073","MoKα","","0.102","0.079","","","0.2404","0.274","","","","","","0.993","","","","has coordinates","214153","2020-10-21","18:00:00",""
"1547605","12.455","0.005","6.376","0.002","16.642","0.006","90","","96.688","0.004","90","","1312.6","0.8","173","2","173.15","","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C13 H12 F3 N O4 -","- C13 H12 F3 N O4 -","- C52 H48 F12 N4 O16 -","4","1","","Peng, Shan-Qing; Zhang, Xiao-Wei; Zhang, Long; Hu, Xiang-Guo","Esterification of Carboxylic Acids with Difluoromethyl Diazomethane and Interrupted Esterification with Trifluoromethyl Diazomethane: A Fluorine Effect.","Organic letters","2017","19","20","5689","5692","10.1021/acs.orglett.7b02866","","","0.71073","MoKα","","0.0562","0.0516","","","0.1219","0.1251","","","","","","1.172","","","","has coordinates","202833","2020-10-21","18:00:00",""
"1547606","11.7846","0.0012","6.1519","0.0006","8.0708","0.0008","90","","92.61","0.007","90","","584.51","0.1","293","","293","","","","","","","","","2","P 1 21/c 1","-P 2ybc","14","","","","- C18 H12 -","- C18 H12 -","- C36 H24 -","2","0.5","","Murai, Masahito; Iba, Shinji; Ota, Hiromi; Takai, Kazuhiko","Azulene-Fused Linear Polycyclic Aromatic Hydrocarbons with Small Bandgap, High Stability, and Reversible Stimuli Responsiveness.","Organic letters","2017","19","20","5585","5588","10.1021/acs.orglett.7b02729","","","0.71075","MoKα","","0.0998","0.0837","","","0.1826","0.1917","","","","","","1.134","","","","has coordinates","202835","2020-10-21","18:00:00",""
"1547607","6.04476","0.00008","13.4804","0.00017","26.4744","0.0003","90","","90","","90","","2157.29","0.05","100","0.1","100","0.1","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C25 H35 N3 O -","- C25 H35 N3 O -","- C100 H140 N12 O4 -","4","1","","Zhang, Shasha; Li, Dangdang; Song, Zehua; Zang, Chuanli; Zhang, Lu; Song, Xiushi; Li, Shengkun","""Carbon Assimilation"" Inspired Design and Divergent Synthesis of Drimane Meroterpenoid Mimics as Novel Fungicidal Leads.","Journal of agricultural and food chemistry","2017","65","41","9013","9021","10.1021/acs.jafc.7b03126","","x-ray","1.54184","CuKα","","0.0387","0.0378","","","0.0957","0.0969","","","","","","1.045","","","","has coordinates","202666","2020-10-21","18:00:00",""
"1547608","9.67127","0.00007","7.05127","0.00007","15.44464","0.00012","90","","93.4847","0.0006","90","","1051.3","0.015","100.01","0.1","100.01","0.1","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C24 H35 N O2 -","- C24 H35 N O2 -","- C48 H70 N2 O4 -","2","1","","Zhang, Shasha; Li, Dangdang; Song, Zehua; Zang, Chuanli; Zhang, Lu; Song, Xiushi; Li, Shengkun","""Carbon Assimilation"" Inspired Design and Divergent Synthesis of Drimane Meroterpenoid Mimics as Novel Fungicidal Leads.","Journal of agricultural and food chemistry","2017","65","41","9013","9021","10.1021/acs.jafc.7b03126","","x-ray","1.54184","CuKα","","0.0387","0.0386","","","0.1023","0.1025","","","","","","1.042","","","","has coordinates","202666","2020-10-21","18:00:00",""
"1547609","8.9555","0.0009","11.3673","0.0011","13.8592","0.0014","99.556","0.002","93.199","0.002","101.959","0.002","1355.1","0.2","293","2","293","2","","","","","","","","3","P -1","-P 1","2","","","","- C33 H35 S -","- C33 H35 S -","- C66 H70 S2 -","2","1","","Guo, Yijing; Li, Miao; Zhou, Yuanyuan; Song, Jinsheng; Bo, Zhishan; Wang, Hua","Two-Dimensional Conjugated Polymer Based on sp2-Carbon Bridged Indacenodithiophene for Efficient Polymer Solar Cells","Macromolecules","2017","50","20","7984","","10.1021/acs.macromol.7b01738","","","0.71073","MoKα","","0.1231","0.0858","","","0.2578","0.2967","","","","","","1.043","","","","has coordinates","203997","2020-10-21","18:00:00",""
"1547610","10.64","0.003","15.198","0.004","18.576","0.006","106.712","0.005","93.358","0.005","107.192","0.005","2714.4","1.4","296","2","296.15","","","","","","","","","3","P -1","-P 1","2","","","","- C64 H74 S2 -","- C64 H74 S2 -","- C128 H148 S4 -","2","1","","Guo, Yijing; Li, Miao; Zhou, Yuanyuan; Song, Jinsheng; Bo, Zhishan; Wang, Hua","Two-Dimensional Conjugated Polymer Based on sp2-Carbon Bridged Indacenodithiophene for Efficient Polymer Solar Cells","Macromolecules","2017","50","20","7984","","10.1021/acs.macromol.7b01738","","","0.71073","MoKα","","0.1687","0.1133","","","0.3058","0.361","","","","","","1.166","","","","has coordinates","203997","2020-10-21","18:00:00",""
"1547611","7.7292","0.0009","25.126","0.003","9.073","0.0013","90","","110.817","0.011","90","","1647","0.4","173","2","173","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C19 H19 Br O3 -","- C19 H19 Br O3 -","- C76 H76 Br4 O12 -","4","2","","He, Rui; Liu, Penglin; Huo, Xiaohong; Zhang, Wanbin","Ir/Zn Dual Catalysis: Enantioselective and Diastereodivergent α-Allylation of Unprotected α-Hydroxy Indanones.","Organic letters","2017","19","20","5513","5516","10.1021/acs.orglett.7b02577","","","1.54178","CuKα","","0.0287","0.0245","","","0.0588","0.0608","","","","","","1.004","","","","has coordinates","202821","2020-10-21","18:00:00",""
"1547612","5.8811","0.0002","13.6299","0.0004","18.7137","0.0006","90","","90","","90","","1500.07","0.08","173","2","173","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C19 H18 O2 -","- C19 H18 O2 -","- C76 H72 O8 -","4","1","","He, Rui; Liu, Penglin; Huo, Xiaohong; Zhang, Wanbin","Ir/Zn Dual Catalysis: Enantioselective and Diastereodivergent α-Allylation of Unprotected α-Hydroxy Indanones.","Organic letters","2017","19","20","5513","5516","10.1021/acs.orglett.7b02577","","","1.54178","CuKα","","0.0295","0.0278","","","0.0698","0.0711","","","","","","1.073","","","","has coordinates","202821","2020-10-21","18:00:00",""
"1547613","8.6567","0.0002","13.8347","0.0004","25.4021","0.0006","90","","90","","90","","3042.23","0.13","173","2","173","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C18 H15 Br O2 -","- C18 H15 Br O2 -","- C144 H120 Br8 O16 -","8","2","","He, Rui; Liu, Penglin; Huo, Xiaohong; Zhang, Wanbin","Ir/Zn Dual Catalysis: Enantioselective and Diastereodivergent α-Allylation of Unprotected α-Hydroxy Indanones.","Organic letters","2017","19","20","5513","5516","10.1021/acs.orglett.7b02577","","","1.54178","CuKα","","0.0601","0.0375","","","0.0674","0.0747","","","","","","0.98","","","","has coordinates","202821","2020-10-21","18:00:00",""
"1547614","31.8047","0.001","31.8047","0.001","11.8143","0.0005","90","","90","","120","","10349.5","0.6","173","2","173","2","","","","","","","","4","R 3 :H","R 3","146","","","","- C25 H21 N O5 -","- C25 H20.5 N O5 -","- C450 H369 N18 O90 -","18","2","","He, Rui; Liu, Penglin; Huo, Xiaohong; Zhang, Wanbin","Ir/Zn Dual Catalysis: Enantioselective and Diastereodivergent α-Allylation of Unprotected α-Hydroxy Indanones.","Organic letters","2017","19","20","5513","5516","10.1021/acs.orglett.7b02577","","","1.54178","CuKα","","0.0566","0.0554","","","0.1568","0.1593","","","","","","1.07","","","","has coordinates","214153","2020-10-21","18:00:00",""
"1547615","12.1851","0.0016","15.4614","0.0018","17.05","0.002","90","","102.559","0.004","90","","3135.3","0.7","298","","298","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C33 H20 Cl7 N O -","- C33 H20 Cl7 N O -","- C132 H80 Cl28 N4 O4 -","4","1","","Shankar, Majji; Guntreddi, Tirumaleswararao; Ramesh, E.; Sahoo, Akhila K.","Transformable Sulfoximine Assisted One-Pot Double Annulation of Vinylic C-H Bonds with Unactivated Alkynes.","Organic letters","2017","19","20","5665","5668","10.1021/acs.orglett.7b02824","","","0.71073","MoKα","","0.082","0.0701","","","0.1997","0.213","","","","","","1.047","","","","has coordinates","202832","2020-10-21","18:00:00",""
"1547616","10.19","0.002","17.463","0.003","9.5878","0.0015","90","","106.025","0.006","90","","1639.8","0.5","298","2","298","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C22 H19 N O -","- C22 H19 N O -","- C88 H76 N4 O4 -","4","1","","Shankar, Majji; Guntreddi, Tirumaleswararao; Ramesh, E.; Sahoo, Akhila K.","Transformable Sulfoximine Assisted One-Pot Double Annulation of Vinylic C-H Bonds with Unactivated Alkynes.","Organic letters","2017","19","20","5665","5668","10.1021/acs.orglett.7b02824","","","0.71073","MoKα","","0.1205","0.0578","","","0.1068","0.1283","","","","","","1.046","","","","has coordinates","202832","2020-10-21","18:00:00",""
"1547617","12.6212","0.0019","16.587","0.002","27.567","0.004","90","","95.009","0.003","90","","5749.1","1.4","93","2","93","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C132 H118 Cl12 N8 Ni2 P2 -","- C132 H118 Cl12 N8 Ni2 P2 -","- C264 H236 Cl24 N16 Ni4 P4 -","2","0.5","","Osuka, Atsuhiro; Fujimoto, Keisuke","Effective stabilization of a planar phosphorus(III) center embedded in a porphyrin-based fused aromatic skeleton","Chem. Sci.","2017","","","","","10.1039/C7SC03882H","","","1.54187","CuKα","","0.0835","0.0723","","","0.2098","0.2218","","","","","","1.079","","","","has coordinates,has disorder","217633","2020-10-21","18:00:00",""
"1547618","12.9016","0.0019","16.642","0.002","28.249","0.005","90","","95.324","0.006","90","","6039.1","1.6","93","2","93","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C74 H69 N4 Ni P S2 -","- C74 H69 N4 Ni P S2 -","- C296 H276 N16 Ni4 P4 S8 -","4","1","","Osuka, Atsuhiro; Fujimoto, Keisuke","Effective stabilization of a planar phosphorus(III) center embedded in a porphyrin-based fused aromatic skeleton","Chem. Sci.","2017","","","","","10.1039/C7SC03882H","","","1.54187","CuKα","","0.0606","0.0553","","","0.1562","0.1609","","","","","","1.01","","","","has coordinates","201841","2020-10-21","18:00:00",""
"1547619","14.5544","0.0007","16.058","0.0005","19.2527","0.0017","80.162","0.001","86.521","0.012","67.319","0.008","4090.5","0.5","93","2","93","2","","","","","","","","8","P -1","-P 1","2","","","","- C73 H57 Cl20 N4 Ni O5 P S2 -","- C73 H57 Cl20 N4 Ni O5 P S2 -","- C146 H114 Cl40 N8 Ni2 O10 P2 S4 -","2","1","","Osuka, Atsuhiro; Fujimoto, Keisuke","Effective stabilization of a planar phosphorus(III) center embedded in a porphyrin-based fused aromatic skeleton","Chem. Sci.","2017","","","","","10.1039/C7SC03882H","","","1.54187","CuKα","","0.0474","0.0422","","","0.1225","0.125","","","","","","1.007","","","","has coordinates","201841","2020-10-21","18:00:00",""
"1547620","14.07","0.003","15.707","0.003","18.17","0.003","96.635","0.003","103.033","0.007","104.706","0.002","3719.8","1.2","93","2","93","2","","","","","","","","8","P -1","-P 1","2","","","","- C71.65 H57 Cl14.59 N4 Ni O P S2 -","- C71.641 H57 Cl14.564 N4 Ni O P S2 -","- C143.282 H114 Cl29.128 N8 Ni2 O2 P2 S4 -","2","1","","Osuka, Atsuhiro; Fujimoto, Keisuke","Effective stabilization of a planar phosphorus(III) center embedded in a porphyrin-based fused aromatic skeleton","Chem. Sci.","2017","","","","","10.1039/C7SC03882H","","","1.54187","CuKα","","0.0847","0.0674","","","0.1875","0.1989","","","","","","1.05","","","","has coordinates,has disorder","201841","2020-10-21","18:00:00",""
"1547621","17.046","0.002","11.8202","0.0017","31.451","0.005","90","","97.756","0.004","90","","6279","1.5","93","2","93","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C80 H69 N4 Ni O2 P -","- C80 H69 N4 Ni O2 P -","- C320 H276 N16 Ni4 O8 P4 -","4","1","","Osuka, Atsuhiro; Fujimoto, Keisuke","Effective stabilization of a planar phosphorus(III) center embedded in a porphyrin-based fused aromatic skeleton","Chem. Sci.","2017","","","","","10.1039/C7SC03882H","","","1.54187","CuKα","","0.091","0.0768","","","0.1947","0.2023","","","","","","1.085","","","","has coordinates,has disorder","201841","2020-10-21","18:00:00",""
"1547622","13.476","0.003","18.301","0.003","25.301","0.005","90","","103.474","0.006","90","","6068","2","93","2","93","2","","","","","","","","8","P 1 21/a 1","-P 2yab","14","","","","- C65 H60 Cl4 N5 O P Pd S2 -","- C65 H60 Cl4 N5 O P Pd S2 -","- C260 H240 Cl16 N20 O4 P4 Pd4 S8 -","4","1","","Osuka, Atsuhiro; Fujimoto, Keisuke","Effective stabilization of a planar phosphorus(III) center embedded in a porphyrin-based fused aromatic skeleton","Chem. Sci.","2017","","","","","10.1039/C7SC03882H","","","1.54187","CuKα","","0.0696","0.0613","","","0.1726","0.1789","","","","","","1.037","","","","has coordinates,has disorder","201841","2020-10-21","18:00:00",""
"1547623","15.0591","0.0017","27.873","0.003","18.771","0.002","90","","101.374","0.003","90","","7724.2","1.5","93","2","93","2","","","","","","","","8","P 1 21/c 1","-P 2ybc","14","","","","- C85.77 H73.77 Cl3 N6 Ni O7.59 P S2 -","- C85.774 H73.773 Cl3.001 N6 Ni O7.591 P S2 -","- C343.096 H295.092 Cl12.004 N24 Ni4 O30.364 P4 S8 -","4","1","","Osuka, Atsuhiro; Fujimoto, Keisuke","Effective stabilization of a planar phosphorus(III) center embedded in a porphyrin-based fused aromatic skeleton","Chem. Sci.","2017","","","","","10.1039/C7SC03882H","","","1.54187","CuKα","","0.0941","0.0809","","","0.2261","0.2385","","","","","","1.067","","","","has coordinates,has disorder","201841","2020-10-21","18:00:00",""
"1547624","15.25","0.002","23.282","0.003","18.497","0.003","90","","104.562","0.004","90","","6356.4","1.6","93","2","93","2","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C70 H58.89 Cl6 N4 Ni O3 P -","- C69.9994 H58.8864 Cl5.9982 N4 Ni O3 P -","- C279.998 H235.546 Cl23.9928 N16 Ni4 O12 P4 -","4","1","","Osuka, Atsuhiro; Fujimoto, Keisuke","Effective stabilization of a planar phosphorus(III) center embedded in a porphyrin-based fused aromatic skeleton","Chem. Sci.","2017","","","","","10.1039/C7SC03882H","","","1.54187","CuKα","","0.0836","0.0687","","","0.1992","0.2087","","","","","","1.087","","","","has coordinates,has disorder","201841","2020-10-21","18:00:00",""
"1547625","41.875","0.009","12.116","0.002","33.342","0.007","90","","127.805","0.004","90","","13366","5","93","2","93","2","","","","","","","","7","C 1 2/c 1","-C 2yc","15","","","","- C75 H72 N6 Ni O P S2 -","- C75 H72 N6 Ni O P S2 -","- C600 H576 N48 Ni8 O8 P8 S16 -","8","1","","Osuka, Atsuhiro; Fujimoto, Keisuke","Effective stabilization of a planar phosphorus(III) center embedded in a porphyrin-based fused aromatic skeleton","Chem. Sci.","2017","","","","","10.1039/C7SC03882H","","","1.54187","CuKα","","0.0494","0.0435","","","0.1173","0.121","","","","","","1.024","","","","has coordinates,has disorder","201841","2020-10-21","18:00:00",""
"1547626","28.316","0.005","16.521","0.002","32.462","0.006","90","","109.086","0.005","90","","14351","4","93","2","93","2","","","","","","","","7","C 1 2/c 1","-C 2yc","15","","","","- C73 H68 N4 Ni O5.5 P S2 -","- C73 H68 N4 Ni O5.5 P S2 -","- C584 H544 N32 Ni8 O44 P8 S16 -","8","1","","Osuka, Atsuhiro; Fujimoto, Keisuke","Effective stabilization of a planar phosphorus(III) center embedded in a porphyrin-based fused aromatic skeleton","Chem. Sci.","2017","","","","","10.1039/C7SC03882H","","","1.54187","CuKα","","0.076","0.0634","","","0.1986","0.2087","","","","","","1.025","","","","has coordinates,has disorder","201841","2020-10-21","18:00:00",""
"1547627","4.7617","0.0003","31.515","0.003","13.2597","0.001","90","","92.153","0.003","90","","1988.4","0.3","122.15","","122.15","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C18 H9 F12 N3 S -","- C18 H9 F12 N3 S -","- C72 H36 F48 N12 S4 -","4","1","","Larsen, Dennis; Langhorn, Line M.; Akselsen, Olivia M.; Nielsen, Bjarne E.; Pittelkow, Michael","Thiosemicarbazone organocatalysis: tetrahydropyranylation and 2-deoxygalactosylation reactions and kinetics-based mechanistic investigation","Chem. Sci.","2017","","","","","10.1039/C7SC03366D","","","0.71073","MoKα","","0.0722","0.0531","","","0.1135","0.1207","","","","","","1.069","","","","has coordinates","201842","2020-10-21","18:00:00",""
"1547628","12.2715","0.0014","8.4441","0.001","16.4877","0.0019","90","","93.794","0.004","90","","1704.7","0.3","122","2","122","","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C16 H10 F6 N4 O2 S -","- C16 H10 F6 N4 O2 S -","- C64 H40 F24 N16 O8 S4 -","4","1","","Larsen, Dennis; Langhorn, Line M.; Akselsen, Olivia M.; Nielsen, Bjarne E.; Pittelkow, Michael","Thiosemicarbazone organocatalysis: tetrahydropyranylation and 2-deoxygalactosylation reactions and kinetics-based mechanistic investigation","Chem. Sci.","2017","","","","","10.1039/C7SC03366D","","","0.71073","MoKα","","0.0736","0.0575","","","0.1435","0.1555","","","","","","1.031","","","","has coordinates","201842","2020-10-21","18:00:00",""
"1547629","8.8724","0.0004","9.8446","0.0005","12.3483","0.0006","89.81","0.002","71.081","0.002","68.037","0.002","937.66","0.08","295","","295","","","","","","","","","6","P -1","-P 1","2","","","","- C16 H9 F6 N5 O4 S -","- C16 H9 F6 N5 O4 S -","- C32 H18 F12 N10 O8 S2 -","2","1","","Larsen, Dennis; Langhorn, Line M.; Akselsen, Olivia M.; Nielsen, Bjarne E.; Pittelkow, Michael","Thiosemicarbazone organocatalysis: tetrahydropyranylation and 2-deoxygalactosylation reactions and kinetics-based mechanistic investigation","Chem. Sci.","2017","","","","","10.1039/C7SC03366D","","","0.71073","MoKα","","0.0523","0.0403","","","0.1029","0.1115","","","","","","1.035","","","","has coordinates,has disorder","201842","2020-10-21","18:00:00",""
"1547630","12.2731","0.0016","9.2592","0.0014","16.18","0.003","90","","91.897","0.005","90","","1837.7","0.5","100","30","100","","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C18 H13 F6 N3 O2 S -","- C18 H13 F6 N3 O2 S -","- C72 H52 F24 N12 O8 S4 -","4","1","","Larsen, Dennis; Langhorn, Line M.; Akselsen, Olivia M.; Nielsen, Bjarne E.; Pittelkow, Michael","Thiosemicarbazone organocatalysis: tetrahydropyranylation and 2-deoxygalactosylation reactions and kinetics-based mechanistic investigation","Chem. Sci.","2017","","","","","10.1039/C7SC03366D","","","0.71073","MoKα","","0.0447","0.0366","","","0.0862","0.0907","","","","","","1.04","","","","has coordinates","201842","2020-10-21","18:00:00",""
"1547631","9.0667","0.0003","9.6985","0.0004","10.1017","0.0003","111.13","0.003","93.15","0.003","108.191","0.003","772.96","0.05","100","0.14","100","0.14","","","","","","","","5","P -1","-P 1","2","","","","- C38 H30 N2 P2 Pd -","- C38 H30 N2 P2 Pd -","- C38 H30 N2 P2 Pd -","1","0.5","","Skrydstrup, Troels; Kristensen, Steffan Kvist; Eikeland, Espen; Taarning, Esben; Lindhardt, Anders T.","Ex situ generation of stoichiometric HCN and its application in the Pd-catalysed cyanation of aryl bromides: Evidence for a transmetallation step between two oxidative addition Pd-complexes","Chem. Sci.","2017","","","","","10.1039/C7SC03912C","","x-ray","0.71073","MoKα","","0.022","0.0201","","","0.0503","0.0514","","","","","","1.079","","","","has coordinates","201843","2020-10-21","18:00:00",""
"1547632","13.094","0.004","14.447","0.005","16.046","0.005","90","","92.715","0.007","90","","3032","1.7","296","2","296.15","","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C24 H54 Br2 P2 Pd2 -","- C24 H54 Br2 P2 Pd2 -","- C96 H216 Br8 P8 Pd8 -","4","1","","Skrydstrup, Troels; Kristensen, Steffan Kvist; Eikeland, Espen; Taarning, Esben; Lindhardt, Anders T.","Ex situ generation of stoichiometric HCN and its application in the Pd-catalysed cyanation of aryl bromides: Evidence for a transmetallation step between two oxidative addition Pd-complexes","Chem. Sci.","2017","","","","","10.1039/C7SC03912C","","","0.5608","AgKα","","0.0792","0.05","","","0.1266","0.1468","","","","","","1.037","","","","has coordinates,has disorder","201843","2020-10-21","18:00:00",""
"1547633","12.7069","0.0004","34.9448","0.0009","14.1937","0.0006","90","","116.366","0.005","90","","5646.9","0.4","100","0.1","100","0.1","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C24 H55 Br P2 Pd -","- C24 H55 Br P2 Pd -","- C192 H440 Br8 P16 Pd8 -","8","1","","Skrydstrup, Troels; Kristensen, Steffan Kvist; Eikeland, Espen; Taarning, Esben; Lindhardt, Anders T.","Ex situ generation of stoichiometric HCN and its application in the Pd-catalysed cyanation of aryl bromides: Evidence for a transmetallation step between two oxidative addition Pd-complexes","Chem. Sci.","2017","","","","","10.1039/C7SC03912C","","x-ray","0.71073","MoKα","","0.0333","0.0249","","","0.0523","0.0556","","","","","","1.03","","","","has coordinates","201843","2020-10-21","18:00:00",""
"1547634","12.1372","0.0002","16.2799","0.0002","16.5783","0.0003","90","","110.126","0.002","90","","3075.72","0.09","100","0.1","100","0.1","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C52 H110 N4 P4 Pd3 -","- C52 H110 N4 P4 Pd3 -","- C104 H220 N8 P8 Pd6 -","2","0.5","","Skrydstrup, Troels; Kristensen, Steffan Kvist; Eikeland, Espen; Taarning, Esben; Lindhardt, Anders T.","Ex situ generation of stoichiometric HCN and its application in the Pd-catalysed cyanation of aryl bromides: Evidence for a transmetallation step between two oxidative addition Pd-complexes","Chem. Sci.","2017","","","","","10.1039/C7SC03912C","","x-ray","0.71073","MoKα","","0.0329","0.0266","","","0.0579","0.0608","","","","","","1.069","","","","has coordinates","201843","2020-10-21","18:00:00",""
"1547635","12.6035","0.0003","17.2591","0.0004","25.6455","0.0005","90.2601","0.0018","90.0672","0.0018","90.8113","0.0019","5577.9","0.2","100","0.11","100","0.11","","","","","","","","5","P -1","-P 1","2","","","","- C25 H54 N P2 Pd -","- C25 H54 N P2 Pd -","- C200 H432 N8 P16 Pd8 -","8","4","","Skrydstrup, Troels; Kristensen, Steffan Kvist; Eikeland, Espen; Taarning, Esben; Lindhardt, Anders T.","Ex situ generation of stoichiometric HCN and its application in the Pd-catalysed cyanation of aryl bromides: Evidence for a transmetallation step between two oxidative addition Pd-complexes","Chem. Sci.","2017","","","","","10.1039/C7SC03912C","","x-ray","0.71073","MoKα","","0.0842","0.0601","","","0.1272","0.1373","","","","","","1.117","","","","has coordinates,has disorder","201843","2020-10-21","18:00:00",""
"1547636","10.043","0.005","18.838","0.009","11.15","0.005","90","","113.174","0.006","90","","1939.3","1.6","200","2","200","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C8 H24 O6 Si5 -","- C8 H24 O6 Si5 -","- C32 H96 O24 Si20 -","4","1","","Wu, Chunyan; Hu, Chunhua Tony; Liu, Yuzhou","Hyperbranched Polysiloxane with Highly Constrained Rings and the Effect of the Attached Arms on the Assembly Behavior","Polym. Chem.","2017","","","","","10.1039/C7PY01177F","","","0.71073","MoKα","","0.1533","0.0823","","","0.1789","0.2127","","","","","","1.019","","","","has coordinates","201848","2020-10-21","18:00:00",""
"1547637","9.5331","0.0013","16.22","0.003","12.8433","0.0018","90","","94.694","0.004","90","","1979.3","0.5","295","2","295","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","C30H32Mn2N14P2F12","","","- C30 H32 F12 Mn2 N14 P2 -","- C30 H32 F12 Mn2 N14 P2 -","- C60 H64 F24 Mn4 N28 P4 -","2","0.5","","Liu, Yang; Chen, Yan-Cong; Wu, Si-Guo; Li, Quan-Wen; Chen, Wen-Bin; Liu, Jun-Liang; Tong, Ming-Liang","Exploring the Inverse Magnetocaloric Effect in Discrete MnII Dimers","The Journal of Physical Chemistry C","2017","121","41","22727","","10.1021/acs.jpcc.7b08271","","","0.71073","MoKα","","0.0712","0.0464","","","0.1164","0.1291","","","","","","1.08","","","","has coordinates","202764","2020-10-21","18:00:00",""
"1547638","9.3323","0.001","16.1831","0.0015","12.3918","0.0012","90","","95.304","0.003","90","","1863.5","0.3","295","2","295","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","C30H32Mn2N14B2F8","","","- C30 H32 B2 F8 Mn2 N14 -","- C30 H32 B2 F8 Mn2 N14 -","- C60 H64 B4 F16 Mn4 N28 -","2","0.5","","Liu, Yang; Chen, Yan-Cong; Wu, Si-Guo; Li, Quan-Wen; Chen, Wen-Bin; Liu, Jun-Liang; Tong, Ming-Liang","Exploring the Inverse Magnetocaloric Effect in Discrete MnII Dimers","The Journal of Physical Chemistry C","2017","121","41","22727","","10.1021/acs.jpcc.7b08271","","","0.71073","MoKα","","0.097","0.0657","","","0.1837","0.2067","","","","","","1.066","","","","has coordinates","202764","2020-10-21","18:00:00",""
"1547639","7.426","0.0017","11.292","0.003","20.718","0.005","90","","90","","90","","1737.3","0.7","293","2","293","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C17 H18 N2 O4 S -","- C17 H18 N2 O4 S -","- C68 H72 N8 O16 S4 -","4","1","","Qian, Xue-Wei; Xue, Ze-Jian; Zhao, Qian; Cui, Zhe; Chen, Ya-Jing; Feng, Chen-Guo; Lin, Guo-Qiang","Enantioselective Rhodium-Catalyzed Alkenylation of Aliphatic Imines.","Organic letters","2017","19","20","5601","5604","10.1021/acs.orglett.7b02737","","","0.71073","MoKα","","0.0462","0.0408","","","0.0981","0.1013","","","","","","1.011","","","","has coordinates","202822","2020-10-21","18:00:00",""
"1547640","6.8929","0.0003","7.6318","0.0003","19.0999","0.0009","100.04","0.002","92.095","0.002","110.687","0.002","920.31","0.07","296","2","296","2","","","","","","","","4","P -1","-P 1","2","KSH-2428","","","- C22 H21 N O4 -","- C22 H21 N O4 -","- C44 H42 N2 O8 -","2","1","","Kim, Hyunseok; Kim, Sanghyuck; Kim, Jiyeon; Son, Jeong-Yu; Baek, Yonghyeon; Um, Kyusik; Lee, Phil Ho","One-Pot Synthesis of Indolizines via Sequential Rhodium-Catalyzed [2 + 1]-Cyclopropanation, Palladium-Catalyzed Ring Expansion, and Oxidation Reactions from Pyridotriazoles and 1,3-Dienes.","Organic letters","2017","19","20","5677","5680","10.1021/acs.orglett.7b02826","","","0.71073","","","0.0822","0.0551","","","0.1559","0.178","","","","","","1.029","","","","has coordinates","202834","2020-10-21","18:00:00",""
"1547641","9.125","0.0015","11.0174","0.0015","11.6902","0.0015","102.952","0.0014","102.365","0.0009","105.581","0.0014","1055.1","0.3","296","2","296","2","","","","","","","","4","P -1","-P 1","2","KSH-2849","","","- C27 H23 N O2 -","- C27 H23 N O2 -","- C54 H46 N2 O4 -","2","1","","Kim, Hyunseok; Kim, Sanghyuck; Kim, Jiyeon; Son, Jeong-Yu; Baek, Yonghyeon; Um, Kyusik; Lee, Phil Ho","One-Pot Synthesis of Indolizines via Sequential Rhodium-Catalyzed [2 + 1]-Cyclopropanation, Palladium-Catalyzed Ring Expansion, and Oxidation Reactions from Pyridotriazoles and 1,3-Dienes.","Organic letters","2017","19","20","5677","5680","10.1021/acs.orglett.7b02826","","","0.71073","","","0.1116","0.0588","","","0.1346","0.1637","","","","","","1.026","","","","has coordinates,has disorder","202834","2020-10-21","18:00:00",""
"1547642","6.2851","0.0002","16.6804","0.0005","9.9664","0.0003","90","","96.0995","0.0014","90","","1038.94","0.06","180","2","180","2","","","","","","","","5","P 1 n 1","P -2yac","7","","","","- C20 H28 N2 O5 S -","- C20 H28 N2 O5 S -","- C40 H56 N4 O10 S2 -","2","1","","Gaunt, Matthew J.; Hogg, Kirsten F.; Trowbridge, Aaron; Álvarez-Pérez, Andrea","The α-Tertiary Amine Motif Drives Remarkable Selectivity for Pd-Catalyzed Carbonylation of β-methylene C‒H bonds","Chem. Sci.","2017","","","","","10.1039/C7SC03876C","","","0.71073","MoKα","","0.0552","0.0421","","","0.0972","0.1051","","","","","","1.016","","","","has coordinates","201869","2020-10-21","18:00:00",""
"1547643","10.6824","0.0005","13.2062","0.0007","11.5423","0.0007","90","","99.843","0.006","90","","1604.35","0.15","100.01","0.1","100.01","0.1","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C18 H15 B3 O3 -","- C18 H15 B3 O3 -","- C72 H60 B12 O12 -","4","1","","Chai, Zhaofei; Wang, Can; Wang, Jinfeng; Liu, Fan; Xie, Yujun; Zhang, Yongzheng; Li, Jian-Rong Jeff; Li, Qianqian; Li, Zhen","Abnormal Room Temperature Phosphorescence of Purely Organic Boron-Containing Compounds: the Relationship between the Emissive Behavior and the Molecular Packing, and the Potential Related Applications","Chem. Sci.","2017","","","","","10.1039/C7SC04098A","","x-ray","0.71073","MoKα","","0.0769","0.0534","","","0.1097","0.1243","","","","","","1.028","","","","has coordinates","201870","2020-10-21","18:00:00",""
"1547644","16.193","0.004","24.868","0.006","9.919","0.002","90","","94.666","0.004","90","","3981","1.6","296","2","296","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C9 H13 B O3 -","- C9 H13 B O3 -","- C144 H208 B16 O48 -","16","4","","Chai, Zhaofei; Wang, Can; Wang, Jinfeng; Liu, Fan; Xie, Yujun; Zhang, Yongzheng; Li, Jian-Rong Jeff; Li, Qianqian; Li, Zhen","Abnormal Room Temperature Phosphorescence of Purely Organic Boron-Containing Compounds: the Relationship between the Emissive Behavior and the Molecular Packing, and the Potential Related Applications","Chem. Sci.","2017","","","","","10.1039/C7SC04098A","","","0.71073","MoKα","","0.1239","0.0635","","","0.1558","0.1955","","","","","","0.959","","","","has coordinates","201870","2020-10-21","18:00:00",""
"1547645","15.322","0.003","17.902","0.003","9.8089","0.0017","90","","90","","90","","2690.5","0.8","296","2","296","2","","","","","","","","4","I b a 2","I 2 -2c","45","","","","- C6 H7 B O2 -","- C6 H7 B O2 -","- C96 H112 B16 O32 -","16","2","","Chai, Zhaofei; Wang, Can; Wang, Jinfeng; Liu, Fan; Xie, Yujun; Zhang, Yongzheng; Li, Jian-Rong Jeff; Li, Qianqian; Li, Zhen","Abnormal Room Temperature Phosphorescence of Purely Organic Boron-Containing Compounds: the Relationship between the Emissive Behavior and the Molecular Packing, and the Potential Related Applications","Chem. Sci.","2017","","","","","10.1039/C7SC04098A","","","0.71073","MoKα","","0.0507","0.034","","","0.0759","0.0844","","","","","","1.027","","","","has coordinates","201870","2020-10-21","18:00:00",""
"1547646","11.2586","0.0015","5.0616","0.0007","13.8819","0.0018","90","","111.069","0.002","90","","738.2","0.17","296","2","296","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C7 H9 B O3 -","- C7 H9 B O3 -","- C28 H36 B4 O12 -","4","1","","Chai, Zhaofei; Wang, Can; Wang, Jinfeng; Liu, Fan; Xie, Yujun; Zhang, Yongzheng; Li, Jian-Rong Jeff; Li, Qianqian; Li, Zhen","Abnormal Room Temperature Phosphorescence of Purely Organic Boron-Containing Compounds: the Relationship between the Emissive Behavior and the Molecular Packing, and the Potential Related Applications","Chem. Sci.","2017","","","","","10.1039/C7SC04098A","","","0.71073","MoKα","","0.0379","0.0341","","","0.0886","0.0917","","","","","","1.004","","","","has coordinates","201870","2020-10-21","18:00:00",""
"1547647","5.0709","0.0003","7.6864","0.0007","13.7993","0.0011","87.907","0.007","85.499","0.006","74.195","0.007","515.86","0.07","293","2","293","2","","","","","","","","4","P -1","-P 1","2","","","","- C10 H15 B O3 -","- C10 H15 B O3 -","- C20 H30 B2 O6 -","2","1","","Chai, Zhaofei; Wang, Can; Wang, Jinfeng; Liu, Fan; Xie, Yujun; Zhang, Yongzheng; Li, Jian-Rong Jeff; Li, Qianqian; Li, Zhen","Abnormal Room Temperature Phosphorescence of Purely Organic Boron-Containing Compounds: the Relationship between the Emissive Behavior and the Molecular Packing, and the Potential Related Applications","Chem. Sci.","2017","","","","","10.1039/C7SC04098A","","","1.54184","CuKα","","0.0489","0.0406","","","0.0981","0.1053","","","","","","1.07","","","","has coordinates","201870","2020-10-21","18:00:00",""
"1547648","19.815","0.0004","5.02009","0.00008","18.2337","0.0004","90","","111.493","0.002","90","","1687.64","0.06","100.01","0.1","100.01","0.1","","","","","","","","4","I 1 2/a 1","-I 2ya","15","","","","- C8 H11 B O3 -","- C8 H11 B O3 -","- C64 H88 B8 O24 -","8","1","","Chai, Zhaofei; Wang, Can; Wang, Jinfeng; Liu, Fan; Xie, Yujun; Zhang, Yongzheng; Li, Jian-Rong Jeff; Li, Qianqian; Li, Zhen","Abnormal Room Temperature Phosphorescence of Purely Organic Boron-Containing Compounds: the Relationship between the Emissive Behavior and the Molecular Packing, and the Potential Related Applications","Chem. Sci.","2017","","","","","10.1039/C7SC04098A","","x-ray","1.54184","CuKα","","0.0338","0.0328","","","0.0868","0.0877","","","","","","1.045","","","","has coordinates","201870","2020-10-21","18:00:00",""
"1547649","3.8105","0.0003","20.8028","0.0016","10.3896","0.001","90","","96.843","0.008","90","","817.71","0.12","100.01","0.1","100.01","0.1","","","","","","","","5","P 1 21/m 1","-P 2yb","11","","","","- C18 H12 B3 F3 O3 -","- C18 H12 B3 F3 O3 -","- C36 H24 B6 F6 O6 -","2","0.5","","Chai, Zhaofei; Wang, Can; Wang, Jinfeng; Liu, Fan; Xie, Yujun; Zhang, Yongzheng; Li, Jian-Rong Jeff; Li, Qianqian; Li, Zhen","Abnormal Room Temperature Phosphorescence of Purely Organic Boron-Containing Compounds: the Relationship between the Emissive Behavior and the Molecular Packing, and the Potential Related Applications","Chem. Sci.","2017","","","","","10.1039/C7SC04098A","","x-ray","0.71073","MoKα","","0.0678","0.0498","","","0.1145","0.1308","","","","","","1.078","","","","has coordinates","201870","2020-10-21","18:00:00",""
"1547650","5.0668","0.0013","10.184","0.003","13.252","0.003","72.888","0.004","84.617","0.004","75.928","0.004","633.7","0.3","296","2","296","2","","","","","","","","4","P -1","-P 1","2","","","","- C12 H19 B O3 -","- C12 H19 B O3 -","- C24 H38 B2 O6 -","2","1","","Chai, Zhaofei; Wang, Can; Wang, Jinfeng; Liu, Fan; Xie, Yujun; Zhang, Yongzheng; Li, Jian-Rong Jeff; Li, Qianqian; Li, Zhen","Abnormal Room Temperature Phosphorescence of Purely Organic Boron-Containing Compounds: the Relationship between the Emissive Behavior and the Molecular Packing, and the Potential Related Applications","Chem. Sci.","2017","","","","","10.1039/C7SC04098A","","","0.71073","MoKα","","0.0796","0.0513","","","0.1321","0.1525","","","","","","1.079","","","","has coordinates","201870","2020-10-21","18:00:00",""
"1547651","19.531","0.001","18.4544","0.0008","9.7999","0.0008","90","","90","","90","","3532.2","0.4","294.84","0.1","294.84","0.1","","","","","","","","5","P b c n","-P 2n 2ab","60","","","","- C6 H6 B I O2 -","- C6 H6 B I O2 -","- C96 H96 B16 I16 O32 -","16","2","","Chai, Zhaofei; Wang, Can; Wang, Jinfeng; Liu, Fan; Xie, Yujun; Zhang, Yongzheng; Li, Jian-Rong Jeff; Li, Qianqian; Li, Zhen","Abnormal Room Temperature Phosphorescence of Purely Organic Boron-Containing Compounds: the Relationship between the Emissive Behavior and the Molecular Packing, and the Potential Related Applications","Chem. Sci.","2017","","","","","10.1039/C7SC04098A","","x-ray","1.54184","CuKα","","0.2134","0.1632","","","0.4235","0.4661","","","","","","1.551","","","","has coordinates","201870","2020-10-21","18:00:00",""
"1547652","14.3451","0.0006","5.0353","0.0002","17.3021","0.0006","90","","90.473","0.004","90","","1249.72","0.08","99.8","0.4","99.8","0.4","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C6 H7 B O3 -","- C6 H7 B O3 -","- C48 H56 B8 O24 -","8","2","","Chai, Zhaofei; Wang, Can; Wang, Jinfeng; Liu, Fan; Xie, Yujun; Zhang, Yongzheng; Li, Jian-Rong Jeff; Li, Qianqian; Li, Zhen","Abnormal Room Temperature Phosphorescence of Purely Organic Boron-Containing Compounds: the Relationship between the Emissive Behavior and the Molecular Packing, and the Potential Related Applications","Chem. Sci.","2017","","","","","10.1039/C7SC04098A","","x-ray","0.71073","MoKα","","0.0609","0.0489","","","0.1202","0.1295","","","","","","1.073","","","","has coordinates","201870","2020-10-21","18:00:00",""
"1547653","18.297","0.004","10.234","0.002","7.8231","0.0016","90","","90","","90","","1464.9","0.5","293","2","293","2","","","","","","","","5","P n a 21","P 2c -2n","33","","","","- C4 H14 Bi Br5 N2 -","- C4 H14 Bi Br5 N2 -","- C16 H56 Bi4 Br20 N8 -","4","1","","Wang, Ya; Shi, Chao; Han, Xiang-Bin","Mixed Bromine‒Chlorine Induced Great Dielectric and Second-Order Nonlinear Optical Properties Changes in Phase Transitions Compounds [H2mdap][BiBr5(1-x)Cl5x] (x = 0.00‒1.00)","The Journal of Physical Chemistry C","2017","121","41","23039","","10.1021/acs.jpcc.7b05126","","","0.71073","MoKα","","0.0722","0.0492","","","0.0791","0.0851","","","","","","0.997","","","","has coordinates","202763","2020-10-21","18:00:00",""
"1547654","18.16","0.004","10.074","0.002","7.6542","0.0015","90","","90","","90","","1400.3","0.5","293","2","293","2","","","","","","","","6","P n a 21","P 2c -2n","33","","","","- C4 H14 Bi Br3.1 Cl1.9 N2 -","- C4 H14 Bi Br3.1 Cl1.9 N2 -","- C16 H56 Bi4 Br12.4 Cl7.6 N8 -","4","1","","Wang, Ya; Shi, Chao; Han, Xiang-Bin","Mixed Bromine‒Chlorine Induced Great Dielectric and Second-Order Nonlinear Optical Properties Changes in Phase Transitions Compounds [H2mdap][BiBr5(1-x)Cl5x] (x = 0.00‒1.00)","The Journal of Physical Chemistry C","2017","121","41","23039","","10.1021/acs.jpcc.7b05126","","","0.71073","MoKα","","0.0867","0.0605","","","0.1265","0.1355","","","","","","1.06","","","","has coordinates","202763","2020-10-21","18:00:00",""
"1547655","18.109","0.004","9.998","0.002","7.5855","0.0015","90","","90","","90","","1373.4","0.5","293","2","293","2","","","","","","","","6","P n a 21","P 2c -2n","33","","","","- C4 H14 Bi Br1.8 Cl3.2 N2 -","- C4 H14 Bi Br1.8 Cl3.2 N2 -","- C16 H56 Bi4 Br7.2 Cl12.8 N8 -","4","1","","Wang, Ya; Shi, Chao; Han, Xiang-Bin","Mixed Bromine‒Chlorine Induced Great Dielectric and Second-Order Nonlinear Optical Properties Changes in Phase Transitions Compounds [H2mdap][BiBr5(1-x)Cl5x] (x = 0.00‒1.00)","The Journal of Physical Chemistry C","2017","121","41","23039","","10.1021/acs.jpcc.7b05126","","","0.71073","MoKα","","0.0788","0.0603","","","0.1441","0.1531","","","","","","1.055","","","","has coordinates","202763","2020-10-21","18:00:00",""
"1547656","18.12","0.004","9.95","0.002","7.5357","0.0015","90","","90","","90","","1358.6","0.5","293","2","293","2","","","","","","","","6","P n a 21","P 2c -2n","33","","","","- C4 H14 Bi Br1.4 Cl3.6 N2 -","- C4 H14 Bi Br1.4 Cl3.6 N2 -","- C16 H56 Bi4 Br5.6 Cl14.4 N8 -","4","1","","Wang, Ya; Shi, Chao; Han, Xiang-Bin","Mixed Bromine‒Chlorine Induced Great Dielectric and Second-Order Nonlinear Optical Properties Changes in Phase Transitions Compounds [H2mdap][BiBr5(1-x)Cl5x] (x = 0.00‒1.00)","The Journal of Physical Chemistry C","2017","121","41","23039","","10.1021/acs.jpcc.7b05126","","","0.71073","MoKα","","0.0627","0.0481","","","0.1135","0.1192","","","","","","1.095","","","","has coordinates","202763","2020-10-21","18:00:00",""
"1547657","18.209","0.004","9.975","0.002","7.5491","0.0015","90","","90","","90","","1371.2","0.5","293","2","293","2","","","","","","","","6","P n a 21","P 2c -2n","33","","","","- C4 H14 Bi Br1.1 Cl3.9 N2 -","- C4 H14 Bi Br1.1 Cl3.9 N2 -","- C16 H56 Bi4 Br4.4 Cl15.6 N8 -","4","1","","Wang, Ya; Shi, Chao; Han, Xiang-Bin","Mixed Bromine‒Chlorine Induced Great Dielectric and Second-Order Nonlinear Optical Properties Changes in Phase Transitions Compounds [H2mdap][BiBr5(1-x)Cl5x] (x = 0.00‒1.00)","The Journal of Physical Chemistry C","2017","121","41","23039","","10.1021/acs.jpcc.7b05126","","","0.71073","MoKα","","0.0571","0.0446","","","0.104","0.1094","","","","","","1.078","","","","has coordinates","202763","2020-10-21","18:00:00",""
"1547658","17.899","0.014","7.93","0.006","10.381","0.008","90","","90","","90","","1473","2","293","2","293","2","","","","","","","","5","P n m a","-P 2ac 2n","62","","","","- C4 H14 Bi Br5 N2 -","- C4 H14 Bi Br5 N2 -","- C16 H56 Bi4 Br20 N8 -","4","0.5","","Wang, Ya; Shi, Chao; Han, Xiang-Bin","Mixed Bromine‒Chlorine Induced Great Dielectric and Second-Order Nonlinear Optical Properties Changes in Phase Transitions Compounds [H2mdap][BiBr5(1-x)Cl5x] (x = 0.00‒1.00)","The Journal of Physical Chemistry C","2017","121","41","23039","","10.1021/acs.jpcc.7b05126","","","0.71073","MoKα","","0.0669","0.0545","","","0.1148","0.12","","","","","","1.176","","","","has coordinates","202763","2020-10-21","18:00:00",""
"1547659","17.697","0.014","7.639","0.006","10.071","0.008","90","","90","","90","","1361.5","1.9","293","2","293","2","","","","","","","","6","P n m a","-P 2ac 2n","62","","","","- C4 H14 Bi Br3.1 Cl1.9 N2 -","- C4 H14 Bi Br3.1 Cl1.9 N2 -","- C16 H56 Bi4 Br12.4 Cl7.6 N8 -","4","0.5","","Wang, Ya; Shi, Chao; Han, Xiang-Bin","Mixed Bromine‒Chlorine Induced Great Dielectric and Second-Order Nonlinear Optical Properties Changes in Phase Transitions Compounds [H2mdap][BiBr5(1-x)Cl5x] (x = 0.00‒1.00)","The Journal of Physical Chemistry C","2017","121","41","23039","","10.1021/acs.jpcc.7b05126","","","0.71073","MoKα","","0.1267","0.1164","","","0.307","0.3169","","","","","","1.178","","","","has coordinates","202763","2020-10-21","18:00:00",""
"1547660","17.891","0.018","7.722","0.008","10.203","0.011","90","","90","","90","","1410","3","293","2","293","2","","","","","","","","6","P n m a","-P 2ac 2n","62","","","","- C4 H14 Bi Br1.8 Cl3.2 N2 -","- C4 H14 Bi Br1.8 Cl3.2 N2 -","- C16 H56 Bi4 Br7.2 Cl12.8 N8 -","4","0.5","","Wang, Ya; Shi, Chao; Han, Xiang-Bin","Mixed Bromine‒Chlorine Induced Great Dielectric and Second-Order Nonlinear Optical Properties Changes in Phase Transitions Compounds [H2mdap][BiBr5(1-x)Cl5x] (x = 0.00‒1.00)","The Journal of Physical Chemistry C","2017","121","41","23039","","10.1021/acs.jpcc.7b05126","","","0.71073","MoKα","","0.1256","0.0992","","","0.24","0.2583","","","","","","1.253","","","","has coordinates","202763","2020-10-21","18:00:00",""
"1547661","17.693","0.003","7.6587","0.0011","10.1094","0.0019","90","","90","","90","","1369.9","0.4","293","2","293","2","","","","","","","","6","P n m a","-P 2ac 2n","62","","","","- C4 H14 Bi Br1.4 Cl3.6 N2 -","- C4 H14 Bi Br1.4 Cl3.6 N2 -","- C16 H56 Bi4 Br5.6 Cl14.4 N8 -","4","0.5","","Wang, Ya; Shi, Chao; Han, Xiang-Bin","Mixed Bromine‒Chlorine Induced Great Dielectric and Second-Order Nonlinear Optical Properties Changes in Phase Transitions Compounds [H2mdap][BiBr5(1-x)Cl5x] (x = 0.00‒1.00)","The Journal of Physical Chemistry C","2017","121","41","23039","","10.1021/acs.jpcc.7b05126","","","0.71073","MoKα","","0.1093","0.0871","","","0.2177","0.2312","","","","","","1.277","","","","has coordinates","202763","2020-10-21","18:00:00",""
"1547662","17.755","0.008","7.681","0.004","10.12","0.005","90","","90","","90","","1380.1","1.2","293","2","293","2","","","","","","","","6","P n m a","-P 2ac 2n","62","","","","- C4 H14 Bi Br1.1 Cl3.9 N2 -","- C4 H14 Bi Br1.1 Cl3.9 N2 -","- C16 H56 Bi4 Br4.4 Cl15.6 N8 -","4","0.5","","Wang, Ya; Shi, Chao; Han, Xiang-Bin","Mixed Bromine‒Chlorine Induced Great Dielectric and Second-Order Nonlinear Optical Properties Changes in Phase Transitions Compounds [H2mdap][BiBr5(1-x)Cl5x] (x = 0.00‒1.00)","The Journal of Physical Chemistry C","2017","121","41","23039","","10.1021/acs.jpcc.7b05126","","","0.71073","MoKα","","0.0815","0.0689","","","0.1793","0.1964","","","","","","1.316","","","","has coordinates","202763","2020-10-21","18:00:00",""
"1547663","9.1345","0.0004","14.6643","0.0007","18.0325","0.0008","92.023","0.0006","96.2988","0.0006","105.032","0.0006","2313.62","0.18","173","2","173","2","","","","","","","","5","P -1","-P 1","2","","","","- C23 H31 Br N3 P -","- C23 H31 Br N3 P -","- C92 H124 Br4 N12 P4 -","4","2","","Tien, Chieh-Hung; Adams, Matt R.; Ferguson, Michael J.; Johnson, Erin R.; Speed, Alexander W. H.","Hydroboration Catalyzed by 1,2,4,3-Triazaphospholenes.","Organic letters","2017","19","20","5565","5568","10.1021/acs.orglett.7b02695","","","0.71073","MoKα","","0.0439","0.0318","","","0.0745","0.0795","","","","","","1.044","","","","has coordinates","202817","2020-10-21","18:00:00",""
"1547664","13.7185","0.0002","20.7124","0.0003","20.7597","0.0003","90","","90","","90","","5898.72","0.15","100","0.1","100","0.1","","","","","","","","3","P 21 21 2","P 2 2ab","18","","","","- C29 H48 O3 -","- C29 H48 O3 -","- C232 H384 O24 -","8","2","","Wang, Chao; Huo, Xiao-Kui; Luan, Zhi-Lin; Cao, Fei; Tian, Xiang-Ge; Zhao, Xin-Yu; Sun, Cheng-Peng; Feng, Lei; Ning, Jing; Zhang, Bao-Jing; Ma, Xiao-Chi","Alismanin A, a Triterpenoid with a C34 Skeleton from Alisma orientale as a Natural Agonist of Human Pregnane X Receptor.","Organic letters","2017","19","20","5645","5648","10.1021/acs.orglett.7b02738","","x-ray","1.54184","CuKα","","0.1013","0.0966","","","0.2569","0.2612","","","","","","1.071","","","","has coordinates,has disorder","202820","2020-10-21","18:00:00",""
"1547665","17.226","0.003","22.283","0.005","24.02","0.005","117.27","0.03","92.88","0.03","96.46","0.03","8089","4","100","","100","","","","","","","","","4","P -1","-P 1","2","","","","- C150 H138 N14 O6 -","- C150 H138 N14 O6 -","- C300 H276 N28 O12 -","2","1","","Hwang, Ji Young; Jeon, Hae-Geun; Choi, Ye Rin; Kim, Junyoung; Kang, Philjae; Lee, Seungwon; Jeong, Kyu-Sung","Aromatic Hybrid Foldamer with a Hydrophilic Helical Cavity Capable of Encapsulating Glucose.","Organic letters","2017","19","20","5625","5628","10.1021/acs.orglett.7b02768","","","0.7","synchrotron","","0.1629","0.0969","","","0.2701","0.311","","","","","","0.975","","","","has coordinates,has disorder","202826","2020-10-21","18:00:00",""
"1547666","16.625","0.003","13.626","0.003","10.32","0.002","90","","92.77","0.03","90","","2335.1","0.8","100","2","100","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C18 H22 N16 O2 -","- C18 H22 N16 O2 -","- C72 H88 N64 O8 -","4","1","","Kim, Illan; Ko, Kyoung Chul; Lee, Woo Ram; Cho, Jihee; Moon, Jong Hun; Moon, Dohyun; Sharma, Amit; Lee, Jin Yong; Kim, Jong Seung; Kim, Sanghee","Calix[n]triazoles and Related Conformational Studies.","Organic letters","2017","19","20","5509","5512","10.1021/acs.orglett.7b02557","","","0.7","synchrotron","","0.1051","0.0883","","","0.2532","0.2674","","","","","","1.046","","","","has coordinates","202836","2020-10-21","18:00:00",""
"1547667","8.7126","0.0009","5.5052","0.0006","14.9132","0.0018","90","","101.476","0.008","90","","701.01","0.14","296","2","296","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C12 H12 N12 -","- C12 H12 N12 -","- C24 H24 N24 -","2","0.5","","Kim, Illan; Ko, Kyoung Chul; Lee, Woo Ram; Cho, Jihee; Moon, Jong Hun; Moon, Dohyun; Sharma, Amit; Lee, Jin Yong; Kim, Jong Seung; Kim, Sanghee","Calix[n]triazoles and Related Conformational Studies.","Organic letters","2017","19","20","5509","5512","10.1021/acs.orglett.7b02557","","","0.71073","MoKα","","0.208","0.0723","","","0.1333","0.1881","","","","","","0.9","","","","has coordinates","202836","2020-10-21","18:00:00",""
"1547668","16.2248","0.0016","21.607","0.002","8.7927","0.0008","90","","90","","90","","3082.5","0.5","143","1","143","1","","","","","","","","3","P 21 21 2","P 2 2ab","18","","","","- C18 H22 O2 -","- C18 H22 O2 -","- C144 H176 O16 -","8","2","","Kang, Houng; Lee, Young Eun; Reddy, Peddiahgari Vasu Govardhana; Dey, Sangeeta; Allen, Scott E.; Niederer, Kyle A.; Sung, Paul; Hewitt, Kirsten; Torruellas, Carilyn; Herling, Madison R.; Kozlowski, Marisa C.","Asymmetric Oxidative Coupling of Phenols and Hydroxycarbazoles.","Organic letters","2017","19","20","5505","5508","10.1021/acs.orglett.7b02552","","","1.54178","CuKα","","0.031","0.0301","","","0.0829","0.0838","","","","","","1.027","","","","has coordinates","202830","2020-10-21","18:00:00",""
"1547669","11.6249","0.0009","14.1066","0.0011","14.2931","0.0011","99.86","0.002","104.52","0.003","105.715","0.002","2111.1","0.3","110","2","110","2","","","","","","","","10","P -1","-P 1","2","","","","- C22 H43.73 B1.77 Cl4 F7.08 Fe2 N8 Ni2 O4.36 S4 -","- C22 H43.7284 B1.77 Cl4 F7.08 Fe2 N8 Ni2 O4.3642 S4 -","- C44 H87.4568 B3.54 Cl8 F14.16 Fe4 N16 Ni4 O8.7284 S8 -","2","1","","Ghosh, Pokhraj; Ding, Shengda; Chupik, Rachel B.; Quiroz, Manuel; Hsieh, Chung-Hung; Bhuvanesh, Nattamai; Hall, Michael B.; Darensbourg, Marcetta Y.","A Matrix of Heterobimetallic Complexes for Interrogation of Hydrogen Evolution Reaction Electrocatalysts","Chem. Sci.","2017","","","","","10.1039/C7SC03378H","","","0.71073","MoKα","","0.0651","0.041","","","0.1102","0.1255","","","","","","1.025","","","","has coordinates,has disorder","201960","2020-10-21","18:00:00",""
"1547670","8.5324","0.0011","13.8268","0.0018","13.8581","0.0018","88.197","0.002","72.322","0.002","80.263","0.002","1534.9","0.3","150","","150","","","","","","","","","9","P -1","-P 1","2","","","","- C20 H40 B F4 Fe N6 Ni2 O2 S4 -","- C20 H40 B F4 Fe N6 Ni2 O2 S4 -","- C40 H80 B2 F8 Fe2 N12 Ni4 O4 S8 -","2","1","","Ghosh, Pokhraj; Ding, Shengda; Chupik, Rachel B.; Quiroz, Manuel; Hsieh, Chung-Hung; Bhuvanesh, Nattamai; Hall, Michael B.; Darensbourg, Marcetta Y.","A Matrix of Heterobimetallic Complexes for Interrogation of Hydrogen Evolution Reaction Electrocatalysts","Chem. Sci.","2017","","","","","10.1039/C7SC03378H","","","0.71073","MoKα","","0.0451","0.0359","","","0.0981","0.105","","","","","","1.038","","","","has coordinates,has disorder","201960","2020-10-21","18:00:00",""
"1547671","12.318","0.008","11.116","0.007","24.241","0.015","90","","90.062","0.007","90","","3319","4","110","2","110","2","","","","","","","","8","C 1 2/c 1","-C 2yc","15","","","","- C10.5 H21 Cl Fe N4 Ni O2 S2 -","- C10.5 H21 Cl Fe N4 Ni O2 S2 -","- C84 H168 Cl8 Fe8 N32 Ni8 O16 S16 -","8","1","","Ghosh, Pokhraj; Ding, Shengda; Chupik, Rachel B.; Quiroz, Manuel; Hsieh, Chung-Hung; Bhuvanesh, Nattamai; Hall, Michael B.; Darensbourg, Marcetta Y.","A Matrix of Heterobimetallic Complexes for Interrogation of Hydrogen Evolution Reaction Electrocatalysts","Chem. Sci.","2017","","","","","10.1039/C7SC03378H","","","0.71073","MoKα","","0.0437","0.0314","","","0.0671","0.0708","","","","","","1.085","","","","has coordinates","201960","2020-10-21","18:00:00",""
"1547672","10.4889","0.0017","15.637","0.002","17.361","0.003","90","","90","","90","","2847.5","0.8","100","1","100","1","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C17 H13 Br O3 -","- C17 H13 Br O3 -","- C136 H104 Br8 O24 -","8","2","","Paz, Bruno Matos; Li, Yang; Thøgersen, Mathias Kirk; Jørgensen, Karl Anker","Enantioselective synthesis of cyclopenta[b]benzofurans via an organocatalytic intramolecular double cyclization","Chem. Sci.","2017","","","","","10.1039/C7SC03006A","","","0.56086","AgKα","","0.0221","0.0209","","","0.0524","0.0528","","","","","","1.043","","","","has coordinates","278046","2022-09-21","15:45:40",""
"1547673","8.2595","0.0007","10.2305","0.0008","10.237","0.0006","98.393","0.006","113.578","0.007","95.939","0.007","771.71","0.11","200","2","200","2","","","","","","","","5","P -1","-P 1","2","","","","- C18 H14 N3 O0.5 S -","- C18 H14 N3 O0.5 S -","- C36 H28 N6 O S2 -","2","1","","Ramanathan, Mani; Liu, Yi-Hung; Peng, Shie-Ming; Liu, Shiuh-Tzung","Synthesis of Substituted Quinazolin-4(3H)-imines From Aryldiazonium Salts, Nitriles and 2-Cyanoanilines via A Metal-Free Tandem Approach.","Organic letters","2017","19","21","5840","5843","10.1021/acs.orglett.7b02822","","","1.54178","CuKα","","0.0726","0.0536","","","0.1469","0.1678","","","","","","1.043","","","","has coordinates","202839","2020-10-21","18:00:00",""
"1547674","8.2205","0.0003","11.1612","0.0007","11.4544","0.0006","106.106","0.005","97.928","0.004","93.594","0.004","994.4","0.09","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C26 H16 Cl O2 P -","- C26 H16 Cl O2 P -","- C52 H32 Cl2 O4 P2 -","2","1","","Zhao, Xu; Gan, Zhenjie; Hu, Chaopeng; Duan, Zheng; Mathey, François","Planar Polycyclic Oxaphosphoranes Incorporating a Benzophosphole Unit.","Organic letters","2017","19","21","5814","5817","10.1021/acs.orglett.7b02769","","x-ray","1.54184","CuKα","","0.0499","0.0405","","","0.1043","0.113","","","","","","1.034","","","","has coordinates","202862","2020-10-21","18:00:00",""
"1547675","12.3745","0.0004","13.9516","0.0005","15.5108","0.0006","90.361","0.003","108.098","0.003","97.969","0.003","2517.32","0.16","293","2","293","2","","","","","","","","4","P -1","-P 1","2","","","","- C33 H25 O P -","- C33 H25 O P -","- C132 H100 O4 P4 -","4","2","","Zhao, Xu; Gan, Zhenjie; Hu, Chaopeng; Duan, Zheng; Mathey, François","Planar Polycyclic Oxaphosphoranes Incorporating a Benzophosphole Unit.","Organic letters","2017","19","21","5814","5817","10.1021/acs.orglett.7b02769","","x-ray","0.71073","MoKα","","0.1151","0.0759","","","0.1871","0.2119","","","","","","1.015","","","","has coordinates","202862","2020-10-21","18:00:00",""
"1547676","9.6822","0.0006","10.6345","0.0005","11.7489","0.0008","97.498","0.005","106.46","0.006","93.254","0.005","1144.63","0.13","291","2","291.15","","","","","","","","","5","P -1","-P 1","2","","","","- C26 H21 Cl2 O P -","- C26 H21 Cl2 O P -","- C52 H42 Cl4 O2 P2 -","2","1","","Zhao, Xu; Gan, Zhenjie; Hu, Chaopeng; Duan, Zheng; Mathey, François","Planar Polycyclic Oxaphosphoranes Incorporating a Benzophosphole Unit.","Organic letters","2017","19","21","5814","5817","10.1021/acs.orglett.7b02769","","","1.54184","CuKα","","0.0578","0.0453","","","0.1189","0.1287","","","","","","1.037","","","","has coordinates","202862","2020-10-21","18:00:00",""
"1547677","9.4124","0.0003","14.7338","0.0005","14.2292","0.0005","90","","90.71","0.001","90","","1973.16","0.12","170","2","169.72","","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C26 H18 Cl O P -","- C26 H18 Cl O P -","- C104 H72 Cl4 O4 P4 -","4","1","","Zhao, Xu; Gan, Zhenjie; Hu, Chaopeng; Duan, Zheng; Mathey, François","Planar Polycyclic Oxaphosphoranes Incorporating a Benzophosphole Unit.","Organic letters","2017","19","21","5814","5817","10.1021/acs.orglett.7b02769","","","1.54178","CuKα","","0.0293","0.0286","","","0.0765","0.077","","","","","","1.02","","","","has coordinates","202862","2020-10-21","18:00:00",""
"1547678","11.8722","0.0004","8.4475","0.0004","26.7964","0.001","90","","90","","90","","2687.42","0.19","223","2","223","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C16 H15 N O3 -","- C16 H15 N O3 -","- C128 H120 N8 O24 -","8","1","","Chen, Rongxiang; Zhao, Yanwei; Fang, Shangwen; Long, Wenhao; Sun, Hongmei; Wan, Xiaobing","Coupling Reaction of Cu-Based Carbene and Nitroso Radical: A Tandem Reaction To Construct Isoxazolines.","Organic letters","2017","19","21","5896","5899","10.1021/acs.orglett.7b02885","","","0.71073","MoKα","","0.1499","0.0807","","","0.1713","0.2156","","","","","","1.049","","","","has coordinates","202852","2020-10-21","18:00:00",""
"1547679","14.8729","0.0004","11.2262","0.0003","16.491","0.0005","90","","92.964","0.0013","90","","2749.76","0.13","100","2","100","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","SK-V-211-2 major","","","- C31 H35 N O6 -","- C31 H35 N O6 -","- C124 H140 N4 O24 -","4","1","","Shen, Kun; Wang, Qiu","Copper-Catalyzed Aminoalkynylation of Alkenes with Hypervalent Iodine Reagents","Chem. Sci.","2017","","","","","10.1039/C7SC03420B","","","0.71073","MoKα","","0.0688","0.0519","","","0.1448","0.1581","","","","","","1.042","","","","has coordinates","202039","2020-10-21","18:00:00",""
"1547680","9.3352","0.0007","10.2282","0.0009","11.6109","0.0009","70.977","0.002","69.277","0.003","63.872","0.002","911.65","0.13","121","2","121","2","","","","","","","","4","P -1","-P 1","2","SK-V-116-major","","","- C22 H23 N O2 -","- C22 H23 N O2 -","- C44 H46 N2 O4 -","2","1","","Shen, Kun; Wang, Qiu","Copper-Catalyzed Aminoalkynylation of Alkenes with Hypervalent Iodine Reagents","Chem. Sci.","2017","","","","","10.1039/C7SC03420B","","","0.71073","MoKα","","0.0627","0.0422","","","0.0944","0.1038","","","","","","1.037","","","","has coordinates","202039","2020-10-21","18:00:00",""
"1547681","10.3428","0.0007","16.0861","0.0011","17.3663","0.0012","65.705","0.003","73.172","0.004","89.52","0.004","2500.3","0.3","100","2","100","2","","","","","","","","4","P -1","-P 1","2","SK-V-211-2 minor","","","- C29 H31 N2 O5 -","- C29 H31 N O5 -","- C116 H124 N4 O20 -","4","2","","Shen, Kun; Wang, Qiu","Copper-Catalyzed Aminoalkynylation of Alkenes with Hypervalent Iodine Reagents","Chem. Sci.","2017","","","","","10.1039/C7SC03420B","","","0.71073","MoKα","","0.0813","0.0616","","","0.1663","0.1771","","","","","","1.098","","","","has coordinates,has disorder","217633","2020-10-21","18:00:00",""
"1547682","17.9134","0.0002","11.5319","0.0001","18.2586","0.0002","90","","117.23","0.001","90","","3353.78","0.07","180","","180","","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C31 H27 Cl3 N4 S2 Se2 -","- C31 H27 Cl3 N4 S2 Se2 -","- C124 H108 Cl12 N16 S8 Se8 -","4","1","","Benz, Sebastian; Mareda, Jiri; Besnard, Céline; Sakai, Naomi; Matile, Stefan","Catalysis with chalcogen bonds: neutral benzodiselenazole scaffolds with high-precision selenium donors of variable strength","Chem. Sci.","2017","","","","","10.1039/C7SC03866F","","x-ray","1.54184","CuKα","","0.0423","0.0395","","","0.1109","0.1146","","","","","","1.039","","","","has coordinates,has disorder","202040","2020-10-21","18:00:00",""
"1547683","24.5149","0.0006","24.5149","0.0006","9.7646","0.0002","90","","90","","120","","5082.1","0.2","100","","100","","","","","","","","","5","P 63/m","-P 6c","176","","","","- C18 H36 Br7 N12 Pb2 -","- C18 H36 Br7 N12 Pb2 -","- C108 H216 Br42 N72 Pb12 -","6","0.5","","Lin, Haoran; Zhou, Chenkun; Tian, Yu; Besara, Tiglet; Neu, Jennifer; Siegrist, Theo; Zhou, Yan; Bullock, James; Schanze, Kirk; Ming, Wenmei; Du, Mao Hua; Ma, Biwu","Bulk Assembly of Organic Metal Halide Nanotubes","Chem. Sci.","2017","","","","","10.1039/C7SC03675B","","","0.71073","MoKα","","0.0593","0.0518","","0.0729","0.0698","0.0728","","","","","","1.0634","","","","has coordinates","202041","2020-10-21","18:00:00",""
"1547684","23.112","0.004","23.112","","7.0532","0.0001","90","","90","","120","","3262.8","0.6","100","2","100","2","","","","","","","","3","P 31","P 31","144","","","","- C18 H31.5 O1.12 -","- C18 H31.125 O1.125 -","- C144 H249 O9 -","8","2.66667","","Bartels, Florian; Hong, Young J.; Ueda, Daijiro; Weber, Manuela; Sato, Tsutomu; Tantillo, Dean J.; Christmann, Mathias","Bioinspired Synthesis of Pentacyclic Onocerane Triterpenoids","Chem. Sci.","2017","","","","","10.1039/C7SC03903D","","","0.71073","MoKα","","0.1243","0.0958","","","0.2161","0.2294","","","","","","1.086","","","","has coordinates","202042","2020-10-21","18:00:00",""
"1547685","6.52639","0.00006","61.44","0.0005","7.08782","0.00006","90","","113.23","0.0004","90","","2611.67","0.04","100","2","100","2","","","","","","","","3","P 1 21 1","P 2yb","4","","","","- C30 H53 O2.5 -","- C30 H53 O2.5 -","- C120 H212 O10 -","4","2","","Bartels, Florian; Hong, Young J.; Ueda, Daijiro; Weber, Manuela; Sato, Tsutomu; Tantillo, Dean J.; Christmann, Mathias","Bioinspired Synthesis of Pentacyclic Onocerane Triterpenoids","Chem. Sci.","2017","","","","","10.1039/C7SC03903D","","","1.54178","CuKα","","0.068","0.0583","","","0.1389","0.1444","","","","","","1.022","","","","has coordinates","202042","2020-10-21","18:00:00",""
"1547686","16.9259","0.0007","8.7979","0.0003","23.0465","0.0009","90","","107.552","0.001","90","","3272.1","0.2","101","2","101","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C37 H55 Br O3 -","- C37 H55 Br O3 -","- C148 H220 Br4 O12 -","4","2","","Bartels, Florian; Hong, Young J.; Ueda, Daijiro; Weber, Manuela; Sato, Tsutomu; Tantillo, Dean J.; Christmann, Mathias","Bioinspired Synthesis of Pentacyclic Onocerane Triterpenoids","Chem. Sci.","2017","","","","","10.1039/C7SC03903D","","","0.71073","MoKα","","0.1","0.0534","","","0.0733","0.0835","","","","","","1.008","","","","has coordinates","202042","2020-10-21","18:00:00",""
"1547687","18.4576","0.0002","18.4576","","7.4585","0.0001","90","","90","","90","","2540.98","0.04","100","2","100","2","","","","","","","","3","P 42","P 4c","77","Cupacinoxepin","","","- C30 H50 O3 -","- C30 H50 O3 -","- C120 H200 O12 -","4","1","","Bartels, Florian; Hong, Young J.; Ueda, Daijiro; Weber, Manuela; Sato, Tsutomu; Tantillo, Dean J.; Christmann, Mathias","Bioinspired Synthesis of Pentacyclic Onocerane Triterpenoids","Chem. Sci.","2017","","","","","10.1039/C7SC03903D","","","1.54178","CuKα","","0.0992","0.0571","","","0.0986","0.1122","","","","","","1.025","","","","has coordinates","202042","2020-10-21","18:00:00",""
"1547688","23.9163","0.0017","13.5859","0.001","26.106","0.002","90","","90","","90","","8482.5","1.1","153","2","153","2","","","","","","","","6","P b c a","-P 2ac 2ab","61","","","","- C25 H16 F6 O13 P4 Zr2.69 -","- C25 H16 F6 O13 P4 Zr2.685 -","- C200 H128 F48 O104 P32 Zr21.48 -","8","1","","Tao Zheng; Zaixing Yang; Daxiang Gui; Zhiyong Liu; Xiangxiang Wang; Xing Dai; Shengtang Liu; Linjuan Zhang; Yang Gao; Lanhua Chen; Daopeng Sheng; Yanlong Wang; Juan Diwu; Jianqiang Wang; Ruhong Zhou; Zhifang Chai; Thomas E. Albrecht-Schmitt; Shuao Wanga","Overcoming the crystallization and designability issues in the ultrastable zirconium phosphonate framework system","Nature Communications","2017","8","","15369","","10.1038/ncomms15369","","","0.71073","MoKα","","0.1266","0.0869","","","0.2454","0.2697","","","","","","1.042","","","","has coordinates,has disorder","202051","2020-10-21","18:00:00",""
"1547689","33.081","0.005","33.081","0.005","15.832","0.003","90","","90","","90","","17326","5","123","2","123","2","","","","","","","","6","I 4/m","-I 4","87","","","","- C25 H16 F8 O12 P4 Zr3 -","- C25 H16 F8 O12 P4 Zr3 -","- C200 H128 F64 O96 P32 Zr24 -","8","0.5","","Tao Zheng; Zaixing Yang; Daxiang Gui; Zhiyong Liu; Xiangxiang Wang; Xing Dai; Shengtang Liu; Linjuan Zhang; Yang Gao; Lanhua Chen; Daopeng Sheng; Yanlong Wang; Juan Diwu; Jianqiang Wang; Ruhong Zhou; Zhifang Chai; Thomas E. Albrecht-Schmitt; Shuao Wanga","Overcoming the crystallization and designability issues in the ultrastable zirconium phosphonate framework system","Nature Communications","2017","8","","15369","","10.1038/ncomms15369","","","0.71073","MoKα","","0.0994","0.0674","","","0.2165","0.2456","","","","","","0.973","","","","has coordinates","202052","2020-10-21","18:00:00",""
"1547690","16.9609","0.0013","26.425","0.002","16.9629","0.0013","90","","117.718","0.002","90","","6730.2","0.9","296","2","296","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C68 H48 F18 O24 P8 Zr7 -","- C68 H48 F18 O24 P8 Zr7 -","- C136 H96 F36 O48 P16 Zr14 -","2","0.5","","Tao Zheng; Zaixing Yang; Daxiang Gui; Zhiyong Liu; Xiangxiang Wang; Xing Dai; Shengtang Liu; Linjuan Zhang; Yang Gao; Lanhua Chen; Daopeng Sheng; Yanlong Wang; Juan Diwu; Jianqiang Wang; Ruhong Zhou; Zhifang Chai; Thomas E. Albrecht-Schmitt; Shuao Wanga","Overcoming the crystallization and designability issues in the ultrastable zirconium phosphonate framework system","Nature Communications","2017","8","","15369","","10.1038/ncomms15369","","","0.71073","MoKα","","0.1317","0.1085","","","0.3076","0.3315","","","","","","1.053","","","","has coordinates","202053","2020-10-21","18:00:00",""
"1547691","24.905","0.003","24.905","0.003","7.5896","0.001","90","","90","","90","","4707.5","1","223","2","223","2","","","","","","","","3","I 41/a","-I 4ad","88","","","","- C41 O14 P4 -","- C41 O16 P4 -","- C164 O64 P16 -","4","","","Tao Zheng; Zaixing Yang; Daxiang Gui; Zhiyong Liu; Xiangxiang Wang; Xing Dai; Shengtang Liu; Linjuan Zhang; Yang Gao; Lanhua Chen; Daopeng Sheng; Yanlong Wang; Juan Diwu; Jianqiang Wang; Ruhong Zhou; Zhifang Chai; Thomas E. Albrecht-Schmitt; Shuao Wanga","Overcoming the crystallization and designability issues in the ultrastable zirconium phosphonate framework system","Nature Communications","2017","8","","15369","","10.1038/ncomms15369","","","0.71073","MoKα","","0.0989","0.0763","","","0.2121","0.2332","","","","","","1.059","","","","has coordinates,has disorder","202054","2020-10-21","18:00:00",""
"1547692","13.2646","0.0007","13.2646","0.0007","7.5238","0.0005","90","","90","","90","","1323.81","0.13","273","2","273","2","","","","","","","","4","I -4","I -4","82","","","","- C25 H24 O12 P4 -","- C25 H24 O12 P4 -","- C50 H48 O24 P8 -","2","0.25","","Tao Zheng; Zaixing Yang; Daxiang Gui; Zhiyong Liu; Xiangxiang Wang; Xing Dai; Shengtang Liu; Linjuan Zhang; Yang Gao; Lanhua Chen; Daopeng Sheng; Yanlong Wang; Juan Diwu; Jianqiang Wang; Ruhong Zhou; Zhifang Chai; Thomas E. Albrecht-Schmitt; Shuao Wanga","Overcoming the crystallization and designability issues in the ultrastable zirconium phosphonate framework system","Nature Communications","2017","8","","15369","","10.1038/ncomms15369","","","0.71073","MoKα","","0.0516","0.0432","","","0.1028","0.1218","","","","","","1.075","","","","has coordinates","202055","2020-10-21","18:00:00",""
"1547693","21.7593","0.0011","33.6872","0.0016","28.3246","0.0014","90","","92.856","0.003","90","","20736.4","1.8","273","","273","","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C212 H181 N8 O34 Pd2 S16 -","- C212 H181 N8 O34 Pd2 S16 -","- C848 H724 N32 O136 Pd8 S64 -","4","1","","Sho Matsuno; Masahiro Yamashina; Yoshihisa Sei; Munetaka Akita; Akiyoshi Kuzume; Kimihisa Yamamoto; Michito Yoshizawa","Exact mass analysis of sulfur clusters upon encapsulation by a polyaromatic capsular matrix","Nature Communications","2017","8","","749","","10.1038/s41467-017-00605-5","","","1.54178","CuKα","","0.1955","0.1355","","","0.3575","0.4022","","","","","","1.334","","","","has coordinates","202056","2020-10-21","18:00:00",""
"1547694","21.297","0.002","21.48","0.002","27.276","0.003","70.017","0.001","69.062","0.001","61.468","0.001","10013.5","1.7","90","","90","","","","","","","","","6","P -1","-P 1","2","","","","- C212 H184 N12 O46 Pd2 S12 -","- C212 H184 N12 O46 Pd2 S12 -","- C424 H368 N24 O92 Pd4 S24 -","2","1","","Sho Matsuno; Masahiro Yamashina; Yoshihisa Sei; Munetaka Akita; Akiyoshi Kuzume; Kimihisa Yamamoto; Michito Yoshizawa","Exact mass analysis of sulfur clusters upon encapsulation by a polyaromatic capsular matrix","Nature Communications","2017","8","","749","","10.1038/s41467-017-00605-5","","","0.71073","MoKα","","0.1988","0.1346","","","0.3689","0.4282","","","","","","1.06","","","","has coordinates,has disorder","202057","2020-10-21","18:00:00",""
"1547695","8.5985","0.0002","8.9813","0.0002","10.1508","0.0002","113.998","0.002","91.78","0.002","111.582","0.002","650.7","0.03","173","2","173","2","","","","","","","","5","P -1","-P 1","2","","3-iodo-2-((2-methoxyethoxy)methyl)-2,7-naphthyridin-1(2H)-one","","- C12 H13 I N2 O3 -","- C12 H13 I N2 O3 -","- C24 H26 I2 N4 O6 -","2","1","","Ziegler, Dorothée S; Greiner, Robert; Lumpe, Henning; Kqiku, Laura; Karaghiosoff, Konstantin; Knochel, Paul","Directed Zincation or Magnesiation of the 2-Pyridone and 2,7-Naphthyridone Scaffold Using TMP Bases.","Organic letters","2017","19","21","5760","5763","10.1021/acs.orglett.7b02690","","","0.71073","MoKα","","0.0253","0.0214","","","0.048","0.0499","","","","","","1.041","","","","has coordinates","202841","2020-10-21","18:00:00",""
"1547696","7.854","0.004","11.693","0.005","18.074","0.008","90","","90","","90","","1659.9","1.3","90","2","90","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C18 H13 I N2 O4 -","- C18 H13 I N2 O4 -","- C72 H52 I4 N8 O16 -","4","1","","Toda, Yasunori; Gomyou, Shuto; Tanaka, Shoya; Komiyama, Yutaka; Kikuchi, Ayaka; Suga, Hiroyuki","Tetraarylphosphonium Salt-Catalyzed Synthesis of Oxazolidinones from Isocyanates and Epoxides.","Organic letters","2017","19","21","5786","5789","10.1021/acs.orglett.7b02722","","","0.71073","MoKα","","0.0222","0.02","","","0.0441","0.0451","","","","","","1.164","","","","has coordinates","202842","2020-10-21","18:00:00",""
"1547697","7.79","0.0006","9.6934","0.0009","18.868","0.0013","84.627","0.001","84.464","0.001","67.565","0.001","1308.27","0.18","90","","90","","","","","","","","","5","P -1","-P 1","2","","","","- C26 H37 Br O5 Si -","- C26 H37 Br O5 Si -","- C52 H74 Br2 O10 Si2 -","2","1","","Abe, Hideki; Ogura, Yuta; Kobayashi, Toyoharu; Ito, Hisanaka","Total Synthesis of Paralemnolide A.","Organic letters","2017","19","21","5996","5999","10.1021/acs.orglett.7b03038","","","0.71073","MoKα","","0.0363","0.0305","","","0.0715","0.0741","","","","","","1.027","","","","has coordinates","202848","2020-10-21","18:00:00",""
"1547698","9.9141","0.0005","18.7872","0.0009","10.6013","0.0005","90","","91.608","0.001","90","","1973.8","0.17","90","","90","","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C21 H25 Br O4 -","- C21 H25 Br O4 -","- C84 H100 Br4 O16 -","4","1","","Abe, Hideki; Ogura, Yuta; Kobayashi, Toyoharu; Ito, Hisanaka","Total Synthesis of Paralemnolide A.","Organic letters","2017","19","21","5996","5999","10.1021/acs.orglett.7b03038","","","0.71073","MoKα","","0.0264","0.0235","","","0.0582","0.0596","","","","","","1.04","","","","has coordinates","202848","2020-10-21","18:00:00",""
"1547699","7.5249","0.0004","10.273","0.0005","15.343","0.0008","104.399","0.001","103.098","0.001","95.903","0.001","1102.87","0.1","90","","90","","","","","","","","","5","P -1","-P 1","2","","","","- C20 H35 Br O3 Si -","- C20 H35 Br O3 Si -","- C40 H70 Br2 O6 Si2 -","2","1","","Abe, Hideki; Ogura, Yuta; Kobayashi, Toyoharu; Ito, Hisanaka","Total Synthesis of Paralemnolide A.","Organic letters","2017","19","21","5996","5999","10.1021/acs.orglett.7b03038","","","0.71073","MoKα","","0.0275","0.0256","","","0.0642","0.0653","","","","","","1.035","","","","has coordinates","202848","2020-10-21","18:00:00",""
"1547700","9.8218","0.0007","12.5329","0.0011","12.4155","0.0009","90","","90","","90","","1528.3","0.2","296","2","296","2","","","","","","","","4","P c a 21","P 2c -2ac","29","","","","- C17 H20 F2 O2 -","- C17 H20 F2 O2 -","- C68 H80 F8 O8 -","4","1","","Sha, Wanxing; Ni, Shengyang; Han, Jianlin; Pan, Yi","Access to Alkyl-Substituted Lactone via Photoredox-Catalyzed Alkylation/Lactonization of Unsaturated Carboxylic Acids.","Organic letters","2017","19","21","5900","5903","10.1021/acs.orglett.7b02899","","","0.71073","MoKα","","0.0546","0.0422","","","0.1014","0.1085","","","","","","1.001","","","","has coordinates","202850","2020-10-21","18:00:00",""
"1547701","5.8465","0.0001","9.7587","0.0002","9.8846","0.0002","89.343","0.0011","87.738","0.0012","86.3034","0.0012","562.324","0.019","100","","100","","","","","","","","","5","P 1","P 1","1","166HC","","","- C21 H28 Br N O7 -","- C21 H28 Br N O7 -","- C21 H28 Br N O7 -","1","1","","Horwitz, Matthew A.; Fulton, Jennifer L.; Johnson, Jeffrey S.","Enantio- and Diastereoselective Organocatalytic Conjugate Additions of Nitroalkanes to Enone Diesters.","Organic letters","2017","19","21","5783","5785","10.1021/acs.orglett.7b02735","","","0.71073","MoKα","","0.028","0.0253","","","0.0493","0.05","","","","","","0.879","","","","has coordinates","202851","2020-10-21","18:00:00",""
"1547702","9.7097","0.0002","12.1431","0.0003","12.8881","0.0004","90","","90","","90","","1519.58","0.07","293","2","293","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C17 H22 O5 -","- C17 H22 O5 -","- C68 H88 O20 -","4","1","","Chen, Keliang; Zhang, Xuwen; Sun, Weiguang; Liu, Junjun; Yang, Jing; Chen, Chunmei; Liu, Xiulan; Gao, Limin; Wang, Jianping; Li, Hua; Luo, Zengwei; Xue, Yongbo; Zhu, Hucheng; Zhang, Yonghui","Manginoids A-G: Seven Monoterpene-Shikimate-Conjugated Meroterpenoids with a Spiro Ring System from Guignardia mangiferae.","Organic letters","2017","19","21","5956","5959","10.1021/acs.orglett.7b02955","","","1.54178","CuKα","","0.0356","0.0355","","","0.0963","0.0964","","","","","","1.035","","","","has coordinates","202855","2020-10-21","18:00:00",""
"1547703","21.597","0.004","7.285","0.0015","16.615","0.003","90","","90","","90","","2614.1","0.9","293","2","293","2","","","","","","","","5","P n a 21","P 2c -2n","33","","","","- C24 H25 Cl3 Ir N4 -","- C24 H25 Cl3 Ir N4 -","- C96 H100 Cl12 Ir4 N16 -","4","1","","Liang, Ran; Li, Shun; Wang, Rongzhou; Lu, Lei; Li, Feng","N-Methylation of Amines with Methanol Catalyzed by a Cp*Ir Complex Bearing a Functional 2,2'-Bibenzimidazole Ligand.","Organic letters","2017","19","21","5790","5793","10.1021/acs.orglett.7b02723","","","0.71073","MoKα","","0.0727","0.0497","","","0.0962","0.1065","","","","","","1.001","","","","has coordinates","202861","2020-10-21","18:00:00",""
"1547704","10.2354","0.001","14.6975","0.0011","16.2321","0.0013","90","","90","","90","","2441.9","0.4","299.6","0.8","299.6","0.8","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C27 H20 O7 S -","- C27 H20 O7 S -","- C108 H80 O28 S4 -","4","1","","Doyle, Lisa M.; O'Sullivan, Shane; Di Salvo, Claudia; McKinney, Michelle; McArdle, Patrick; Murphy, Paul V.","Stereoselective Epimerizations of Glycosyl Thiols.","Organic letters","2017","19","21","5802","5805","10.1021/acs.orglett.7b02760","","","0.71073","MoKα","","0.0776","0.0496","","","0.1235","0.1405","","","","","","1.015","","","","has coordinates","202867","2020-10-21","18:00:00",""
"1547708","9.099","0.009","6.059","0.006","9.24","0.009","90","","90","","90","","509.4","0.9","293","2","293","2","","","","","","","","5","P m n 21","P 2ac -2","31","","","","- C7 H14 I N O4 -","- C7 H12 I N O4 -","- C14 H24 I2 N2 O8 -","2","0.5","","Yu-Meng You; Yuan-Yuan Tang; Peng-Fei Li; Han-Yue Zhang; Wan-Ying Zhang; Yi Zhang; Heng-Yun Ye; Takayoshi Nakamura; Ren-Gen Xiong","Quinuclidinium salt ferroelectric thin-film with duodecuple-rotational polarization-directions","Nature Communications","2017","8","","14934","","10.1038/ncomms14934","","","0.71073","MoKα","","0.0392","0.0362","","","0.0683","0.0698","","","","","","1.144","","","","has coordinates","202105","2020-10-21","18:00:00",""
"1547709","6.437","0.008","6.437","0.008","6.437","0.008","90","","90","","90","","266.7","0.6","338","2","338","2","","","","","","","","5","P m -3 m","-P 4 2 3","221","","","","- C7 H14 I N O4 -","- C7.9992 I O4 -","- C7.9992 I O4 -","1","0.0208333","","Yu-Meng You; Yuan-Yuan Tang; Peng-Fei Li; Han-Yue Zhang; Wan-Ying Zhang; Yi Zhang; Heng-Yun Ye; Takayoshi Nakamura; Ren-Gen Xiong","Quinuclidinium salt ferroelectric thin-film with duodecuple-rotational polarization-directions","Nature Communications","2017","8","","14934","","10.1038/ncomms14934","","","0.71073","MoKα","","0.1468","0.145","","","0.3081","0.3087","","","","","","1.402","","","","has coordinates","202106","2020-10-21","18:00:00",""
"1547710","8.872","0.0003","11.0082","0.0003","9.1544","0.0003","90","","108.429","0.002","90","","848.21","0.05","100","0.2","100","0.2","","","","","","","","3","P 1 21 1","P 2yb","4","","","","- C18 H24 O4 -","- C18 H24 O4 -","- C36 H48 O8 -","2","1","","Guo-Ming Ho; Medel Manuel L. Zulueta; Shang-Cheng Hung","Stereoselective one-pot synthesis of polypropionates","Nature Cummunications","2017","8","","679","","10.1038/s41467-017-00787-y","","","0.71073","MoKα","","0.035","0.0305","","","0.0683","0.071","","","","","","1.05","","","","has coordinates","202107","2020-10-21","18:00:00",""
"1547711","7.0558","0.0002","11.7298","0.0003","17.7125","0.0005","90","","90","","90","","1465.94","0.07","100","0.2","100","0.2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C16 H22 O3 -","- C16 H22 O3 -","- C64 H88 O12 -","4","1","","Guo-Ming Ho; Medel Manuel L. Zulueta; Shang-Cheng Hung","Stereoselective one-pot synthesis of polypropionates","Nature Cummunications","2017","8","","679","","10.1038/s41467-017-00787-y","","","0.71073","MoKα","","0.0331","0.0298","","","0.0729","0.0755","","","","","","1.047","","","","has coordinates","202108","2020-10-21","18:00:00",""
"1547712","7.0078","0.0003","7.1563","0.0003","11.9748","0.0006","106.043","0.004","97.618","0.004","99.673","0.003","558.69","0.05","100","0.2","100","0.2","","","","","","","","3","P -1","-P 1","2","","","","- C11 H18 O4 -","- C11 H18 O4 -","- C22 H36 O8 -","2","1","","Guo-Ming Ho; Medel Manuel L. Zulueta; Shang-Cheng Hung","Stereoselective one-pot synthesis of polypropionates","Nature Cummunications","2017","8","","679","","10.1038/s41467-017-00787-y","","","0.71073","MoKα","","0.0424","0.0364","","","0.0926","0.0967","","","","","","1.037","","","","has coordinates","202109","2020-10-21","18:00:00",""
"1547713","7.6701","0.0002","8.0763","0.0002","9.5222","0.0003","111.724","0.002","96.807","0.002","98.512","0.002","532.2","0.03","296","2","296","2","","","","","","","","3","P -1","-P 1","2","","","","- C10 H16 O4 -","- C10 H16 O4 -","- C20 H32 O8 -","2","1","","Guo-Ming Ho; Medel Manuel L. Zulueta; Shang-Cheng Hung","Stereoselective one-pot synthesis of polypropionates","Nature Cummunications","2017","8","","679","","10.1038/s41467-017-00787-y","","","0.71073","MoKα","","0.0712","0.047","","","0.1328","0.1538","","","","","","0.945","","","","has coordinates","202110","2020-10-21","18:00:00",""
"1547714","8.005","0.0001","11.0252","0.0002","16.3524","0.0003","90","","97.02","0.001","90","","1432.39","0.04","100","0.1","100","0.1","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","","","- C16 H20 O4 -","- C16 H20 O4 -","- C64 H80 O16 -","4","1","","Guo-Ming Ho; Medel Manuel L. Zulueta; Shang-Cheng Hung","Stereoselective one-pot synthesis of polypropionates","Nature Cummunications","2017","8","","679","","10.1038/s41467-017-00787-y","","","0.71073","MoKα","","0.044","0.0353","","","0.0816","0.0865","","","","","","1.054","","","","has coordinates","202111","2020-10-21","18:00:00",""
"1547715","6.1819","0.0002","19.6642","0.0006","8.718","0.0003","90","","104.247","0.002","90","","1027.18","0.06","100","0.2","100","0.2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C10 H16 O4 -","- C10 H16 O4 -","- C40 H64 O16 -","4","1","","Guo-Ming Ho; Medel Manuel L. Zulueta; Shang-Cheng Hung","Stereoselective one-pot synthesis of polypropionates","Nature Cummunications","2017","8","","679","","10.1038/s41467-017-00787-y","","","0.71073","MoKα","","0.035","0.0326","","","0.0811","0.0829","","","","","","1.051","","","","has coordinates","202112","2020-10-21","18:00:00",""
"1547716","8.574","","8.8","","17.704","","90","","90","","90","","1335.79","","100","0.1","100","0.1","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C15 H18 O4 -","- C15 H18 O4 -","- C60 H72 O16 -","4","1","","Guo-Ming Ho; Medel Manuel L. Zulueta; Shang-Cheng Hung","Stereoselective one-pot synthesis of polypropionates","Nature Cummunications","2017","8","","679","","10.1038/s41467-017-00787-y","","","0.71073","MoKα","","0.0273","0.0257","","","0.0632","0.0641","","","","","","1.066","","","","has coordinates","202113","2020-10-21","18:00:00",""
"1547717","7.4396","0.0003","11.7668","0.0005","14.4083","0.0006","67.38","0.003","84.506","0.003","83.796","0.003","1155.44","0.09","100","0.1","100","0.1","","","","","","","","4","P -1","-P 1","2","","","","- C24 H38 O2 Si -","- C24 H38 O2 Si -","- C48 H76 O4 Si2 -","2","1","","Guo-Ming Ho; Medel Manuel L. Zulueta; Shang-Cheng Hung","Stereoselective one-pot synthesis of polypropionates","Nature Cummunications","2017","8","","679","","10.1038/s41467-017-00787-y","","","0.71073","MoKα","","0.0637","0.0422","","","0.0928","0.1044","","","","","","1.016","","","","has coordinates","202114","2020-10-21","18:00:00",""
"1547718","25.016","0.003","9.6759","0.0012","27.415","0.003","90","","116.342","0.002","90","","5946.8","1.2","296","2","296","2","","","","","","","","5","C 1 2 1","C 2y","5","","","","- C120 H125 N17 O31 Zn4 -","- C120 H104 N17 O31 Zn4 -","- C240 H208 N34 O62 Zn8 -","2","0.5","","Zhengqiang Xia; Cheng He; Xiaoge Wang; Chunying Duan","Modifying electron transfer between photoredox and organocatalytic units via framework interpenetration for beta-carbonyl functionalization","Nature Communications","2017","8","","361","","10.1038/s41467-017-00416-8","","","0.71073","MoKα","","0.0809","0.0592","","","0.1651","0.1802","","","","","","1.088","","","","has coordinates","202115","2020-10-21","18:00:00",""
"1547719","25.0155","0.0017","9.6927","0.0007","27.3884","0.0018","90","","116.251","0.0011","90","","5955.9","0.7","200","2","200","2","","","","","","","","5","C 1 2 1","C 2y","5","","","","- C120 H125 N17 O31 Zn4 -","- C120 H104 N17 O31 Zn4 -","- C240 H208 N34 O62 Zn8 -","2","0.5","","Zhengqiang Xia; Cheng He; Xiaoge Wang; Chunying Duan","Modifying electron transfer between photoredox and organocatalytic units via framework interpenetration for beta-carbonyl functionalization","Nature Communications","2017","8","","361","","10.1038/s41467-017-00416-8","","","0.71073","MoKα","","0.0551","0.0491","","","0.1726","0.1792","","","","","","1.064","","","","has coordinates","202116","2020-10-21","18:00:00",""
"1547720","25.9658","0.0015","9.0558","0.0005","27.369","0.0015","90","","117.686","0.0009","90","","5698.7","0.6","200","2","200","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C115 H115 N13 O29 Zn4 -","- C115 H108 N13 O29 Zn4 -","- C230 H216 N26 O58 Zn8 -","2","0.25","","Zhengqiang Xia; Cheng He; Xiaoge Wang; Chunying Duan","Modifying electron transfer between photoredox and organocatalytic units via framework interpenetration for beta-carbonyl functionalization","Nature Communications","2017","8","","361","","10.1038/s41467-017-00416-8","","","0.71073","MoKα","","0.0627","0.0513","","","0.2017","0.2161","","","","","","1.033","","","","has coordinates","202117","2020-10-21","18:00:00",""
"1547721","24.9168","0.0019","9.6298","0.0007","27.373","0.003","90","","116.294","0.0013","90","","5888.4","0.9","110","2","110","2","","","","","","","","5","C 1 2 1","C 2y","5","","","","- C125 H134 N16 O33 Zn4 -","- C125 H104 N16 O33 Zn4 -","- C250 H208 N32 O66 Zn8 -","2","0.5","","Zhengqiang Xia; Cheng He; Xiaoge Wang; Chunying Duan","Modifying electron transfer between photoredox and organocatalytic units via framework interpenetration for beta-carbonyl functionalization","Nature Communications","2017","8","","361","","10.1038/s41467-017-00416-8","","","0.71073","MoKα","","0.0495","0.0457","","","0.1463","0.1509","","","","","","1.01","","","","has coordinates,has disorder","202118","2020-10-21","18:00:00",""
"1547722","24.9012","0.0017","9.6416","0.0006","27.3223","0.0018","90","","116.379","0.001","90","","5876.7","0.7","110","2","110","2","","","","","","","","5","C 1 2 1","C 2y","5","","","","- C128 H140 N16 O32 Zn4 -","- C128 H104 N16 O32 Zn4 -","- C256 H208 N32 O64 Zn8 -","2","0.5","","Zhengqiang Xia; Cheng He; Xiaoge Wang; Chunying Duan","Modifying electron transfer between photoredox and organocatalytic units via framework interpenetration for beta-carbonyl functionalization","Nature Communications","2017","8","","361","","10.1038/s41467-017-00416-8","","","0.71073","MoKα","","0.0429","0.0406","","","0.1182","0.1198","","","","","","1.054","","","","has coordinates,has disorder","202119","2020-10-21","18:00:00",""
"1547723","38.0759","0.0015","12.6702","0.0005","7.9552","0.0003","90","","101.488","0.007","90","","3760.9","0.3","100","2","100","2","","","","","","","","2","C 1 2/c 1","-C 2yc","15","","","","- C30 H18 -","- C30 H18 -","- C240 H144 -","8","1","","Akitoshi Shiotari; Takahiro Nakae; Kota Iwata; Shigeki Mori; Tetsuo Okujima; Hidemitsu Uno; Hiroshi Sakaguchi; Yoshiaki Sugimoto","Strain-induced skeletal rearrangement of a polycyclic aromatic hydrocarbon on a copper surface","Nature Communications","2017","8","","16089","","10.1038/ncomms16089","","","1.54187","CuKα","","0.0766","0.058","","","0.1371","0.1475","","","","","","1.031","","","","has coordinates","202120","2020-10-21","18:00:00",""
"1547724","37.63","0.013","6.3613","0.0019","16.724","0.006","90","","111.123","0.005","90","","3734","2","100","","100","","","","","","","","","2","C 1 2/c 1","-C 2yc","15","","","","- C30 H18 -","- C30 H18 -","- C240 H144 -","8","1","","Akitoshi Shiotari; Takahiro Nakae; Kota Iwata; Shigeki Mori; Tetsuo Okujima; Hidemitsu Uno; Hiroshi Sakaguchi; Yoshiaki Sugimoto","Strain-induced skeletal rearrangement of a polycyclic aromatic hydrocarbon on a copper surface","Nature Communications","2017","8","","16089","","10.1038/ncomms16089","","","0.71075","MoKα","","0.0983","0.0702","","","0.1975","0.2263","","","","","","1.117","","","","has coordinates","202121","2020-10-21","18:00:00",""
"1547725","15.446","0.004","5.9493","0.0012","15.55","0.004","90","","103.722","0.008","90","","1388.1","0.6","193","2","193","2","","","","","","","","3","P 1 21 1","P 2yb","4","","","","- C27.6 H43 O6.9 -","- C24 H34 O6 -","- C48 H68 O12 -","2","1","","Leman-Loubière, Charlotte; Le Goff, Géraldine; Retailleau, Pascal; Debitus, Cécile; Ouazzani, Jamal","Sporothriolide-Related Compounds from the Fungus Hypoxylon monticulosum CLL-205 Isolated from a Sphaerocladina Sponge from the Tahiti Coast.","Journal of natural products","2017","80","10","2850","2854","10.1021/acs.jnatprod.7b00714","","","1.54187","CuKα","","0.1365","0.078","","","0.2001","0.2592","","","","","","1.001","","","","has coordinates","202671","2020-10-21","18:00:00",""
"1547726","10.0478","0.0018","10.1851","0.0017","10.8815","0.0019","95.641","0.004","114.147","0.004","108.576","0.004","929","0.3","296","2","296","2","","","","","","","","4","P -1","-P 1","2","","","","- C18 H24 N O4 -","- C18 H29 N O4 -","- C36 H58 N2 O8 -","2","1","","Edwards, Peter M.; Schafer, Laurel L.","In Situ Generation of a Regio- and Diastereoselective Hydroaminoalkylation Catalyst Using Commercially Available Starting Materials.","Organic letters","2017","19","21","5720","5723","10.1021/acs.orglett.7b02149","","","0.71073","MoKα","","0.1297","0.0911","","","0.2214","0.2484","","","","","","1.05","","","","has coordinates","202844","2020-10-21","18:00:00",""
"1547727","21.142","0.004","9.442","0.002","14.826","0.003","90","0.03","90","0.03","90","0.03","2959.6","1","100","","100","","","","","","","","","5","P n a 21","P 2c -2n","33","","1-(4-methoxyphenyl)-2,3,6-trimethylpiperidin-1-ium chloride","","- C15 H24 Cl N O -","- C15 H24 Cl N O -","- C120 H192 Cl8 N8 O8 -","8","2","","Edwards, Peter M.; Schafer, Laurel L.","In Situ Generation of a Regio- and Diastereoselective Hydroaminoalkylation Catalyst Using Commercially Available Starting Materials.","Organic letters","2017","19","21","5720","5723","10.1021/acs.orglett.7b02149","","","0.71073","MoKα","","0.0498","0.0354","","","0.0676","0.073","","","","","","0.982","","","","has coordinates","215051","2020-10-21","18:00:00",""
"1547728","8.3542","0.0012","11.7504","0.0015","11.9494","0.0015","102.671","0.004","106.404","0.004","97.121","0.004","1076","0.2","296","2","296","2","","","","","","","","4","P -1","-P 1","2","","","","- C28 H21 N3 O3 -","- C28 H21 N3 O3 -","- C56 H42 N6 O6 -","2","1","","Manoharan, Ramasamy; Jeganmohan, Masilamani","Cobalt-Catalyzed Oxidative Cyclization of Benzamides with Maleimides: Synthesis of Isoindolone Spirosuccinimides.","Organic letters","2017","19","21","5884","5887","10.1021/acs.orglett.7b02873","","","0.71073","MoKα","","0.0875","0.0471","","","0.1199","0.1479","","","","","","0.878","","","","has coordinates","202846","2020-10-21","18:00:00",""
"1547729","9.49772","0.00017","7.06251","0.00013","13.2196","0.0002","90","","104.074","0.0019","90","","860.13","0.03","100","","100","","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C18 H18 N3 O4 P -","- C18 H18 N3 O4 P -","- C36 H36 N6 O8 P2 -","2","1","","Huang, Nan; Zou, Liangliang; Peng, Yungui","Enantioselective 1,3-Dipolar Cycloaddition of Methyleneindolinones with α-Diazomethylphosphonate to Access Chiral Spiro-phosphonylpyrazoline-oxindoles Catalyzed by Tertiary Amine Thiourea and 1,5-Diazabicyclo[4.3.0]non-5-ene.","Organic letters","2017","19","21","5806","5809","10.1021/acs.orglett.7b02763","","x-ray","1.54184","CuKα","","0.0413","0.0408","","","0.1081","0.1091","","","","","","0.915","","","","has coordinates","202856","2020-10-21","18:00:00",""
"1547730","39.0759","0.0005","39.0759","0.0005","7.99482","0.00013","90","","90","","120","","10572","0.3","93","","93","","","","","","","","","3","P 3","P 3","143","","","","- C27 H24 S6 -","- C27 H24 S6 -","- C486 H432 S108 -","18","6","","Shoji, Yoshiaki; Kajitani, Takashi; Ishiwari, Fumitaka; Ding, Qiang; Sato, Hiroyasu; Anetai, Hayato; Akutagawa, Tomoyuki; Sakurai, Hidehiro; Fukushima, Takanori","Hexathioalkyl sumanenes: An electron-donating buckybowl as a building block for supramolecular materials","Chem. Sci.","2017","","","","","10.1039/C7SC03860G","","","1.54187","CuKα","","0.0923","0.0831","","","0.2176","0.2465","","","","","","1.085","","","","has coordinates,has disorder","202140","2020-10-21","18:00:00",""
"1547731","13.7708","0.0011","16.9234","0.0014","17.1467","0.0014","98.334","0.001","113.332","0.001","112.891","0.001","3162.1","0.4","90","","90","","","","","","","","","3","P -1","-P 1","2","","","","- C117 H24 S6 -","- C117 H24 S6 -","- C234 H48 S12 -","2","1","","Shoji, Yoshiaki; Kajitani, Takashi; Ishiwari, Fumitaka; Ding, Qiang; Sato, Hiroyasu; Anetai, Hayato; Akutagawa, Tomoyuki; Sakurai, Hidehiro; Fukushima, Takanori","Hexathioalkyl sumanenes: An electron-donating buckybowl as a building block for supramolecular materials","Chem. Sci.","2017","","","","","10.1039/C7SC03860G","","","0.71073","MoKα","","0.0424","0.0381","","","0.0927","0.0958","","","","","","1.014","","","","has coordinates,has disorder","202140","2020-10-21","18:00:00",""
"1547732","9.0699","0.0011","13.9562","0.0014","17.516","0.002","88.185","0.018","78.4","0.02","72.259","0.015","2067.6","0.5","93","","93","2","","","","","","","","5","P -1","-P 1","2","","","","- C23 H21 N O3 S -","- C23 H21 N O3 S -","- C92 H84 N4 O12 S4 -","4","2","","Nagamoto, Midori; Fukuda, Jun-Ichi; Hatano, Miyuki; Yorimitsu, Hideki; Nishimura, Takahiro","Hydroxoiridium-Catalyzed Hydroarylation of Alkynes and Bicycloalkenes with N-Sulfonylbenzamides.","Organic letters","2017","19","21","5952","5955","10.1021/acs.orglett.7b02950","","","1.54187","CuKα","","0.0345","0.0308","","","0.0823","0.0842","","","","","","1.055","","","","has coordinates","214153","2020-10-21","18:00:00",""
"1547733","7.7485","0.0019","8.638","0.002","11.316","0.003","78.953","0.004","72.382","0.003","65.252","0.003","653.7","0.3","296","2","296","2","","","","","","","","3","P -1","-P 1","2","","","","- C18 H14 O2 -","- C18 H14 O2 -","- C36 H28 O4 -","2","1","","Fan, Jinming; Wang, Tao; Li, Chenchen; Wang, Rui; Lei, Xiaoyu; Liang, Yong; Zhang, Zunting","Synthesis of Benzoaryl-5-yl(2-hydroxyphenyl)methanones via Photoinduced Rearrangement of (E)-3-Arylvinyl-4H-chromen-4-ones.","Organic letters","2017","19","21","5984","5987","10.1021/acs.orglett.7b03007","","","0.71073","MoKα","","0.0485","0.0413","","","0.1234","0.1315","","","","","","1.042","","","","has coordinates","214153","2020-10-21","18:00:00",""
"1547734","17.5556","0.0005","17.5556","0.0005","14.122","0.0007","90","","90","","90","","4352.4","0.3","100","","100","","","","","","","","","4","I -4","I -4","82","","","","- C24 H30 N4 O2 -","- C24 H30 N4 O2 -","- C192 H240 N32 O16 -","8","1","","Zhang, Shang-Shi; Xia, Jie; Wu, Jia-Qiang; Liu, Xu-Ge; Zhou, Chu-Jun; Lin, E.; Li, Qingjiang; Huang, Shi-Liang; Wang, Honggen","Three-Component Catalytic Carboxygenation of Activated Alkenes Enabled by Bimetallic Rh(III)/Cu(II) Catalysis.","Organic letters","2017","19","21","5868","5871","10.1021/acs.orglett.7b02846","","x-ray","1.54184","CuKα","","0.0455","0.0436","","","0.1245","0.1266","","","","","","1.072","","","","has coordinates","202853","2020-10-21","18:00:00",""
"1547735","9.9109","0.0012","17.7633","0.0017","10.9397","0.0012","90","","100.598","0.011","90","","1893.1","0.4","293","2","293.15","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C21 H27 N O4 -","- C21 H27 N O4 -","- C84 H108 N4 O16 -","4","1","","Wang, Chengfeng; Lu, Zhan","Intermolecular [2 + 2] Cycloaddition of 1,4-Dihydropyridines with Olefins via Energy Transfer.","Organic letters","2017","19","21","5888","5891","10.1021/acs.orglett.7b02881","","","0.71073","MoKα","","0.0931","0.0592","","","0.1393","0.1644","","","","","","1.029","","","","has coordinates","202854","2020-10-21","18:00:00",""
"1547736","7.459","0.0006","15.314","0.0013","11.5062","0.0013","90","","91.057","0.008","90","","1314.1","0.2","170.1","","170.1","","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C31 H37 N O4 -","- C31 H37 N O4 -","- C62 H74 N2 O8 -","2","1","","Wang, Chengfeng; Lu, Zhan","Intermolecular [2 + 2] Cycloaddition of 1,4-Dihydropyridines with Olefins via Energy Transfer.","Organic letters","2017","19","21","5888","5891","10.1021/acs.orglett.7b02881","","","0.71073","MoKα","","0.1095","0.0919","","","0.2381","0.2705","","","","","","1.056","","","","has coordinates","202854","2020-10-21","18:00:00",""
"1547737","12.1961","0.0013","9.8018","0.0011","19.978","0.002","90","","97.063","0.011","90","","2370.1","0.4","293","2","293.15","","","","","","","","","4","C 1 c 1","C -2yc","9","","","","- C27 H31 N O4 -","- C27 H31 N O4 -","- C108 H124 N4 O16 -","4","1","","Wang, Chengfeng; Lu, Zhan","Intermolecular [2 + 2] Cycloaddition of 1,4-Dihydropyridines with Olefins via Energy Transfer.","Organic letters","2017","19","21","5888","5891","10.1021/acs.orglett.7b02881","","","0.71073","MoKα","","0.0809","0.0611","","","0.133","0.1479","","","","","","1.073","","","","has coordinates","202854","2020-10-21","18:00:00",""
"1547738","8.5401","0.0006","11.6431","0.0012","19.9467","0.0016","90","","98.271","0.007","90","","1962.7","0.3","293","2","293.15","","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C21 H27 N O4 -","- C21 H27 N O4 -","- C84 H108 N4 O16 -","4","1","","Wang, Chengfeng; Lu, Zhan","Intermolecular [2 + 2] Cycloaddition of 1,4-Dihydropyridines with Olefins via Energy Transfer.","Organic letters","2017","19","21","5888","5891","10.1021/acs.orglett.7b02881","","","0.71073","MoKα","","0.1099","0.0744","","","0.192","0.2258","","","","","","1.062","","","","has coordinates","202854","2020-10-21","18:00:00",""
"1547739","8.3616","0.0001","8.7783","0.0001","19.3853","0.0003","90","","90","","90","","1422.89","0.03","100","0.1","100","0.1","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C17 H14 O5 -","- C17 H14 O5 -","- C68 H56 O20 -","4","1","","Luo, Kui; Cao, Tongxiang; Jiang, Huanfeng; Chen, Lianfen; Zhu, Shifa","Gold-Catalyzed Ring Expansion of Enyne-Lactone: Generation and Transformation of 2-Oxoninonium.","Organic letters","2017","19","21","5856","5859","10.1021/acs.orglett.7b02834","","x-ray","1.54184","CuKα","","0.0298","0.0294","","","0.0801","0.0804","","","","","","1.152","","","","has coordinates","202860","2020-10-21","18:00:00",""
"1547740","16.1365","0.0006","7.3743","0.0003","11.6885","0.0005","90","","103.14","0.004","90","","1354.46","0.1","100","0.1","100","0.1","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C18 H13 F O2 -","- C18 H13 F O2 -","- C72 H52 F4 O8 -","4","1","","Luo, Kui; Cao, Tongxiang; Jiang, Huanfeng; Chen, Lianfen; Zhu, Shifa","Gold-Catalyzed Ring Expansion of Enyne-Lactone: Generation and Transformation of 2-Oxoninonium.","Organic letters","2017","19","21","5856","5859","10.1021/acs.orglett.7b02834","","x-ray","1.54184","CuKα","","0.0553","0.0525","","","0.1456","0.1499","","","","","","1.077","","","","has coordinates","202860","2020-10-21","18:00:00",""
"1547741","8.6474","0.0005","9.0011","0.0006","11.6253","0.0006","92.573","0.005","94.393","0.005","91.114","0.005","901.06","0.09","100","0.1","100","0.1","","","","","","","","3","P -1","-P 1","2","","","","- C22 H18 O6 -","- C22 H18 O6 -","- C44 H36 O12 -","2","1","","Luo, Kui; Cao, Tongxiang; Jiang, Huanfeng; Chen, Lianfen; Zhu, Shifa","Gold-Catalyzed Ring Expansion of Enyne-Lactone: Generation and Transformation of 2-Oxoninonium.","Organic letters","2017","19","21","5856","5859","10.1021/acs.orglett.7b02834","","x-ray","1.54184","CuKα","","0.05","0.0479","","","0.132","0.1338","","","","","","1.04","","","","has coordinates","202860","2020-10-21","18:00:00",""
"1547742","14.4968","0.0008","10.5034","0.0006","15.0275","0.0008","90","","111.709","0.002","90","","2125.9","0.2","296","","296","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C25 H23 N O2 S -","- C25 H23 N O2 S -","- C100 H92 N4 O8 S4 -","4","1","","Wen, Jian; Cheng, Hanchao; Raabe, Gerhard; Bolm, Carsten","Rhodium-Catalyzed [4 + 3] Annulations of Sulfoximines with α,β-Unsaturated Ketones Leading to 1,2-Benzothiazepine 1-Oxides.","Organic letters","2017","19","21","6020","6023","10.1021/acs.orglett.7b03106","","","1.54178","CuKα","","0.046","0.045","","0.046","","0.046","","","0.995","","","1.011","","","","has coordinates","202863","2020-10-21","18:00:00",""
"1547759","7.51","","7.51","","7.51","","90","","90","","90","","423.565","","293","","293","","","","","","","","","2","P m -3 n","-P 4n 2 3","223","","","","- Cu0.25 Te0.1667 -","- Cu0.25 Te0.166667 -","- Cu12 Te8 -","48","1","","Tom Willhammar; Kadir Sentosun; Stefanos Mourdikoudis; Bart Goris; Mert Kurttepeli; Marnik Bercx; Dirk Lamoen; Bart Partoens; Isabel Pastoriza-Santos; Jorge Perez-Juste; Luis M. Liz-Marzan; Sara Bals; Gustaaf Van Tendeloo","Structure and vacancy distribution in copper telluride nanoparticles influence plasmonic activity in the near-infrared","Nature Communications","2017","8","","14925","","10.1038/ncomms14925","","","0.0251","electron","","0.129","0.129","","0.125","0.125","","","","1.598","1.598","1.598","","","","","has coordinates","202189","2020-10-21","18:00:00",""
"1547760","7.925","0.0004","12.5953","0.0005","15.5199","0.0006","87.325","0.001","87.557","0.001","87.368","0.001","1544.57","0.12","200","2","200","2","","","","","","","","4","P -1","-P 1","2","","","","- C43 H29 N3 O3 -","- C43 H29 N3 O3 -","- C86 H58 N6 O6 -","2","1","","Kumar, Ankit; Rajeswara Rao, M.; Lee, Way-Zen; Ravikanth, Mangalampalli","Hybrid Macrocycles of Subporphyrins and Triphyrins.","Organic letters","2017","19","21","5924","5927","10.1021/acs.orglett.7b02919","","","0.71073","MoKα","","0.083","0.0462","","","0.0982","0.1172","","","","","","1.044","","","","has coordinates","202865","2020-10-21","18:00:00",""
"1547761","33.542","0.003","10.9252","0.0009","25.824","0.002","90","","124.876","0.002","90","","7763.6","1.1","100","2","100","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C46 H24 F5 O5 Re S -","- C46 H24 F5 N2 O3 Re S -","- C368 H192 F40 N16 O24 Re8 S8 -","8","1","","Kumar, Ankit; Rajeswara Rao, M.; Lee, Way-Zen; Ravikanth, Mangalampalli","Hybrid Macrocycles of Subporphyrins and Triphyrins.","Organic letters","2017","19","21","5924","5927","10.1021/acs.orglett.7b02919","","","0.71073","MoKα","","0.0305","0.0286","","","0.0725","0.0746","","","","","","1.042","","","","has coordinates","202865","2020-10-21","18:00:00",""
"1547762","10.5547","0.0013","13.5822","0.0019","17.121","0.003","107.906","0.005","102.148","0.005","104.773","0.004","2144.2","0.6","200","2","200","2","","","","","","","","5","P -1","-P 1","2","","","","- C46 H28 N3 O6 Re -","- C46 H28 N3 O6 Re -","- C92 H56 N6 O12 Re2 -","2","1","","Kumar, Ankit; Rajeswara Rao, M.; Lee, Way-Zen; Ravikanth, Mangalampalli","Hybrid Macrocycles of Subporphyrins and Triphyrins.","Organic letters","2017","19","21","5924","5927","10.1021/acs.orglett.7b02919","","","0.71073","MoKα","","0.0329","0.0262","","","0.0577","0.0603","","","","","","1.04","","","","has coordinates","202865","2020-10-21","18:00:00",""
"1547763","30.947","0.002","10.5971","0.001","22.6459","0.0017","90","","107.749","0.008","90","","7073.2","1","100","","100","","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C43 H25 F5 N2 S -","- C43 H25 F5 N2 S -","- C344 H200 F40 N16 S8 -","8","1","","Kumar, Ankit; Rajeswara Rao, M.; Lee, Way-Zen; Ravikanth, Mangalampalli","Hybrid Macrocycles of Subporphyrins and Triphyrins.","Organic letters","2017","19","21","5924","5927","10.1021/acs.orglett.7b02919","","x-ray","1.54184","CuKα","","0.2514","0.1596","","","0.3817","0.4582","","","","","","1.087","","","","has coordinates","202865","2020-10-21","18:00:00",""
"1547764","21.7439","0.0008","20.2524","0.0004","11.8321","0.0003","90","","90","","90","","5210.5","0.3","150","2","150","2","","","","","","","","7","C m c 21","C 2c -2","36","","","","- C52 H58 F6 Ir N8 O4 P -","- C52 H58 F6 Ir N8 O4 P -","- C208 H232 F24 Ir4 N32 O16 P4 -","4","0.5","","Venkatesh, V.; Berrocal-Martin, Raul; Wedge, Christopher J.; Romero-Canelón, Isolda; Sanchez-Cano, Carlos; Song, Ji-Inn; Coverdale, James P. C.; Zhang, Pingyu; Clarkson, Guy J.; Habtemariam, Abraha; Magennis, Steven W.; Deeth, Robert J.; Sadler, Peter J.","Mitochondria-targeted spin-labelled luminescent iridium anticancer complexes","Chem. Sci.","2017","","","","","10.1039/C7SC03216A","","x-ray","0.71073","MoKα","","0.1464","0.0626","","","0.1242","0.1537","","","","","","1.029","","","","has coordinates,has disorder","202245","2020-10-21","18:00:00",""
"1547765","14.578","0.002","13.1698","0.0017","19.698","0.003","90","","106.053","0.007","90","","3634.3","0.9","100","2","100","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C28 H42 F2 N4 O12.5 -","- C28 H42 F2 N4 O12.5 -","- C112 H168 F8 N16 O50 -","4","2","","Burade, Sachin S.; Saha, Tanmoy; Bhuma, Naresh; Kumbhar, Navanath; Kotmale, Amol; Rajamohanan, Pattuparambil R.; Gonnade, Rajesh G.; Talukdar, Pinaki; Dhavale, Dilip D.","Self-Assembly of Fluorinated Sugar Amino Acid Derived α,γ-Cyclic Peptides into Transmembrane Anion Transport.","Organic letters","2017","19","21","5948","5951","10.1021/acs.orglett.7b02942","","","1.54178","CuKα","","0.1728","0.1345","","","0.3783","0.4271","","","","","","1.497","","","","has coordinates,has disorder","202864","2020-10-21","18:00:00",""
"1547766","11.3088","0.0007","13.4942","0.0007","27.4368","0.0013","90","","90","","90","","4186.9","0.4","150","2","150","2","","","","","","","","6","P b c a","-P 2ac 2ab","61","","","","- C24 H20 Cl0 N2 O5 S -","- C24 H20 N2 O5 S -","- C192 H160 N16 O40 S8 -","8","1","","Pal, Kuntal; Shukla, Rahul K.; Volla, Chandra M. R.","Rh(II)-Catalyzed Denitrogenative Reaction of N-Sulfonyl-1,2,3-triazoles with Isatins for the Construction of Indigoids.","Organic letters","2017","19","21","5764","5767","10.1021/acs.orglett.7b02697","","x-ray","0.71073","MoKα","","0.089","0.0618","","","0.144","0.1649","","","","","","1.053","","","","has coordinates","202869","2020-10-21","18:00:00",""
"1547776","9.8304","0.0003","7.6333","0.0002","20.2122","0.0006","90","","102.819","0.002","90","","1478.89","0.07","299","2","298.83","","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C30.5 H49 Cl O5 -","- C30.5 H49 Cl O5 -","- C61 H98 Cl2 O10 -","2","1","","Xiong, Juan; Wan, Jiang; Ding, Jie; Wang, Pei-Pei; Ma, Guang-Lei; Li, Jia; Hu, Jin-Feng","Camellianols A-G, Barrigenol-like Triterpenoids with PTP1B Inhibitory Effects from the Endangered Ornamental Plant Camellia crapnelliana.","Journal of natural products","2017","80","11","2874","2882","10.1021/acs.jnatprod.7b00241","","","1.54178","CuKα","","0.0753","0.0604","","","0.1535","0.1706","","","","","","1.051","","","","has coordinates,has disorder","203987","2020-10-21","18:00:00",""
"1547777","7.6012","0.0006","10.7068","0.0009","9.9472","0.0007","90","","100.274","0.0017","90","","796.57","0.11","296","","296","","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C17 H19 N O2 S2 -","- C17 H19 N O2 S2 -","- C34 H38 N2 O4 S4 -","2","1","","Shimizu, Akinori; Inoue, Yoshihisa; Mori, Tadashi","A Combined Experimental and Theoretical Study on the Circular Dichroism of Staggered and Eclipsed Forms of Dimethoxy[2.2]-, [3.2]-, and [3.3]Pyridinophanes and Their Protonated Forms.","The journal of physical chemistry. A","2017","121","44","8389","8398","10.1021/acs.jpca.7b08623","","","0.71075","MoKα","","","0.0666","","","","0.1408","","","","","","1.271","","","","has coordinates","203991","2020-10-21","18:00:00",""
"1547778","15.5091","0.0005","15.7579","0.0006","7.3886","0.0003","90","","90","","90","","1805.71","0.12","123","","123","","","","","","","","","6","P 21 21 2","P 2 2ab","18","","","","- C17 H20 Br N O2 S2 -","- C17 H20 Br N O2 S2 -","- C68 H80 Br4 N4 O8 S8 -","4","1","","Shimizu, Akinori; Inoue, Yoshihisa; Mori, Tadashi","A Combined Experimental and Theoretical Study on the Circular Dichroism of Staggered and Eclipsed Forms of Dimethoxy[2.2]-, [3.2]-, and [3.3]Pyridinophanes and Their Protonated Forms.","The journal of physical chemistry. A","2017","121","44","8389","8398","10.1021/acs.jpca.7b08623","","","0.71075","MoKα","","","0.068","","","","0.066","","","","","","1.012","","","","has coordinates","203991","2020-10-21","18:00:00",""
"1547779","6.738","0.0003","17.0684","0.0008","17.5974","0.0007","90","","90","","90","","2023.82","0.15","123","","123","","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C19 H23 Br N2 O2 S2 -","- C19 H23 Br N2 O2 S2 -","- C76 H92 Br4 N8 O8 S8 -","4","1","","Shimizu, Akinori; Inoue, Yoshihisa; Mori, Tadashi","A Combined Experimental and Theoretical Study on the Circular Dichroism of Staggered and Eclipsed Forms of Dimethoxy[2.2]-, [3.2]-, and [3.3]Pyridinophanes and Their Protonated Forms.","The journal of physical chemistry. A","2017","121","44","8389","8398","10.1021/acs.jpca.7b08623","","","0.71075","MoKα","","","0.0451","","","","0.0466","","","","","","0.968","","","","has coordinates","203991","2020-10-21","18:00:00",""
"1547780","7.398","0.0003","10.7677","0.0004","10.053","0.0004","90","","100.666","0.0014","90","","786.98","0.05","123","","123","","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C17 H19 N O2 S2 -","- C17 H19 N O2 S2 -","- C34 H38 N2 O4 S4 -","2","1","","Shimizu, Akinori; Inoue, Yoshihisa; Mori, Tadashi","A Combined Experimental and Theoretical Study on the Circular Dichroism of Staggered and Eclipsed Forms of Dimethoxy[2.2]-, [3.2]-, and [3.3]Pyridinophanes and Their Protonated Forms.","The journal of physical chemistry. A","2017","121","44","8389","8398","10.1021/acs.jpca.7b08623","","","0.71075","MoKα","","","0.0489","","","","0.147","","","","","","1.89","","","","has coordinates","203991","2020-10-21","18:00:00",""
"1547781","9.6502","0.0002","10.1186","0.0001","9.806","0.0002","90","","112.655","0.002","90","","883.64","0.03","100","0.1","100","0.1","","","","","","","","3","P 1 21 1","P 2yb","4","","","","- C21 H21 N3 -","- C21 H21 N3 -","- C42 H42 N6 -","2","1","","Wang, Xu; Xiong, Wenfang; Huang, Yubing; Zhu, Jiayi; Hu, Qiong; Wu, Wanqing; Jiang, Huanfeng","Palladium-Catalyzed Synthesis of 1H-Indenes and Phthalimides via Isocyanide Insertion.","Organic letters","2017","19","21","5818","5821","10.1021/acs.orglett.7b02771","","x-ray","1.54184","CuKα","","0.0334","0.0325","","","0.082","0.0833","","","","","","1.077","","","","has coordinates","202838","2020-10-21","18:00:00",""
"1547782","9.974","0.003","14.056","0.004","14.062","0.004","83.992","0.005","88.531","0.005","73.514","0.005","1880","0.9","296","2","296","2","","","","","","","","6","P -1","-P 1","2","","","","- C33 H31 Cl2 N3 O4 S2 -","- C33 H31 Cl2 N3 O4 S2 -","- C66 H62 Cl4 N6 O8 S4 -","2","1","","An, Yuanyuan; Wu, Jie","Synthesis of Tetrahydropyridine Derivatives through a Reaction of 1,6-Enynes, Sulfur Dioxide, and Aryldiazonium Tetrafluoroborates.","Organic letters","2017","19","21","6028","6031","10.1021/acs.orglett.7b03195","","","0.71073","MoKα","","0.1005","0.0657","","","0.2033","0.2365","","","","","","0.976","","","","has coordinates","202840","2020-10-21","18:00:00",""
"1547783","7.9678","0.0018","10.943","0.003","15.044","0.004","90","","95.755","0.004","90","","1305.1","0.6","173","2","173","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C27 H29 N3 O4 S2 -","- C27 H29 N3 O4 S2 -","- C54 H58 N6 O8 S4 -","2","1","","An, Yuanyuan; Wu, Jie","Synthesis of Tetrahydropyridine Derivatives through a Reaction of 1,6-Enynes, Sulfur Dioxide, and Aryldiazonium Tetrafluoroborates.","Organic letters","2017","19","21","6028","6031","10.1021/acs.orglett.7b03195","","","0.71073","MoKα","","0.0867","0.0514","","","0.106","0.1281","","","","","","1.018","","","","has coordinates","202840","2020-10-21","18:00:00",""
"1547784","6.1589","0.0006","7.3312","0.0008","38.746","0.004","90","","90","","90","","1749.5","0.3","120","2","120","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C20 H15 Br N2 O2 -","- C20 H15 Br N2 O2 -","- C80 H60 Br4 N8 O8 -","4","1","","Maity, Sanjay; Saha, Mithu; Hazra, Gurupada; Ghorai, Prasanta","Switchable Chemoselectivity for Organocatalytic, Asymmetric Malononitrile Addition to ortho-Formyl Chalcones.","Organic letters","2017","19","21","5872","5875","10.1021/acs.orglett.7b02862","","","0.71073","MoKα","","0.0464","0.0318","","","0.0552","0.0581","","","","","","1.033","","","","has coordinates","202843","2020-10-21","18:00:00",""
"1547785","12.7986","0.001","16.9506","0.0016","10.2527","0.001","90","","108.443","0.003","90","","2110","0.3","100","2","100","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C25 H16 Br F N2 O2 -","- C25 H16 Br F N2 O2 -","- C100 H64 Br4 F4 N8 O8 -","4","1","","Maity, Sanjay; Saha, Mithu; Hazra, Gurupada; Ghorai, Prasanta","Switchable Chemoselectivity for Organocatalytic, Asymmetric Malononitrile Addition to ortho-Formyl Chalcones.","Organic letters","2017","19","21","5872","5875","10.1021/acs.orglett.7b02862","","","0.71073","MoKα","","0.1231","0.0589","","","0.0892","0.1054","","","","","","1.04","","","","has coordinates","202843","2020-10-21","18:00:00",""
"1547786","12.624","","8.002","","19.474","","90","","96.48","","90","","1954.64","","293","2","293","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C24 H21 N3 O2 -","- C24 H21 N3 O2 -","- C96 H84 N12 O8 -","4","1","","Xia, Jintao; Kong, Lingheng; Zhou, Xukai; Zheng, Guangfan; Li, Xingwei","Access to Substituted Propenoic Acids via Rh(III)-Catalyzed C-H Allylation of (Hetero)Arenes with Methyleneoxetanones.","Organic letters","2017","19","21","5972","5975","10.1021/acs.orglett.7b02983","","","0.71073","MoKα","","0.1258","0.092","","","0.2606","0.2959","","","","","","1.094","","","","has coordinates","202847","2020-10-21","18:00:00",""
"1547787","13.2977","0.0002","5.57216","0.0001","25.8974","0.0005","90","","103.075","0.0007","90","","1869.17","0.06","173","","173","","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C23 H19 F3 O -","- C23 H19 F3 O -","- C92 H76 F12 O4 -","4","1","","Horino, Yoshikazu; Sugata, Miki; Mutsuura, Itaru; Tomohara, Keisuke; Abe, Hitoshi","Controllable Stereoselective Synthesis of (Z)- and (E)-Homoallylic Alcohols Using a Palladium-Catalyzed Three-Component Reaction.","Organic letters","2017","19","21","5968","5971","10.1021/acs.orglett.7b02979","","","1.54187","CuKα","","0.0493","0.0439","","","0.119","0.1253","","","","","","1.102","","","","has coordinates","202858","2020-10-21","18:00:00",""
"1547788","15.0345","0.0017","7.8241","0.0007","24.411","0.002","90","","100.874","0.004","90","","2819.9","0.5","293","2","293","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C34 H26 Cl2 Fe N2 O -","- C34 H26 Cl2 Fe N2 O -","- C136 H104 Cl8 Fe4 N8 O4 -","4","1","","Sattar, Moh; Kumar, Sangit","Palladium-Catalyzed Removable 8-Aminoquinoline Assisted Chemo- and Regioselective Oxidative sp(2)-C-H/sp(3)-C-H Cross-Coupling of Ferrocene with Toluene Derivatives.","Organic letters","2017","19","21","5960","5963","10.1021/acs.orglett.7b02968","","","0.71073","MoKα","","0.1802","0.0751","","","0.0873","0.1088","","","","","","1.024","","","","has coordinates","202859","2020-10-21","18:00:00",""
"1547789","12.674","0.0006","12.6962","0.0007","13.5789","0.0008","68.465","0.002","64.191","0.002","88.015","0.002","1809.18","0.18","120","2","120","2","","","","","","","","5","P -1","-P 1","2","","","","- C44 H48 Fe N2 O -","- C44 H48 Fe N2 O -","- C88 H96 Fe2 N4 O2 -","2","1","","Sattar, Moh; Kumar, Sangit","Palladium-Catalyzed Removable 8-Aminoquinoline Assisted Chemo- and Regioselective Oxidative sp(2)-C-H/sp(3)-C-H Cross-Coupling of Ferrocene with Toluene Derivatives.","Organic letters","2017","19","21","5960","5963","10.1021/acs.orglett.7b02968","","","0.71073","MoKα","","0.0989","0.0664","","","0.1419","0.157","","","","","","1.029","","","","has coordinates","202859","2020-10-21","18:00:00",""
"1547790","7.3942","0.0006","18.6187","0.0013","20.9626","0.0017","90","","94.192","0.003","90","","2878.2","0.4","137","2","137","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C34 H26 Fe I2 N2 O -","- C34 H26 Fe I2 N2 O -","- C136 H104 Fe4 I8 N8 O4 -","4","1","","Sattar, Moh; Kumar, Sangit","Palladium-Catalyzed Removable 8-Aminoquinoline Assisted Chemo- and Regioselective Oxidative sp(2)-C-H/sp(3)-C-H Cross-Coupling of Ferrocene with Toluene Derivatives.","Organic letters","2017","19","21","5960","5963","10.1021/acs.orglett.7b02968","","","0.71073","MoKα","","0.1299","0.0689","","","0.1199","0.1391","","","","","","1.067","","","","has coordinates","202859","2020-10-21","18:00:00",""
"1547791","9.3208","0.0004","12.8006","0.0006","19.003","0.0009","90","","90","","90","","2267.28","0.18","290.64","0.1","290.64","0.1","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C26 H22 Br N3 O3 -","- C26 H22 Br N3 O3 -","- C104 H88 Br4 N12 O12 -","4","1","","Zhang, Qian; Guo, Songsong; Yang, Jian; Yu, Kunru; Feng, Xiaoming; Lin, Lili; Liu, Xiaohua","Asymmetric Formal [3 + 2]-Cycloaddition of Azomethine Imines with Azlactones To Synthesize Bicyclic Pyrazolidinones.","Organic letters","2017","19","21","5826","5829","10.1021/acs.orglett.7b02772","","x-ray","1.54184","CuKα","","0.048","0.0469","","","0.1198","0.1214","","","","","","1.037","","","","has coordinates","202866","2020-10-21","18:00:00",""
"1547792","14.9581","0.0004","7.55701","0.0002","9.3623","0.0003","90","","107.339","0.003","90","","1010.21","0.05","100","2","100","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C6 H16 N O4 Re -","- C6 H16 N O4 Re -","- C24 H64 N4 O16 Re4 -","4","1","","Morris, Danny S.; van Rees, Karlotta; Curcio, Massimiliano; Cokoja, Mirza; Kühn, Fritz E.; Duarte, Fernanda; Love, Jason B.","Deoxydehydration of vicinal diols and polyols catalyzed by pyridinium perrhenate salts","Catal. Sci. Technol.","2017","","","","","10.1039/C7CY01728F","","x-ray","0.71073","MoKα","","0.0189","0.0161","","","0.0367","0.0375","","","","","","1.089","","","","has coordinates","202333","2020-10-21","18:00:00",""
"1547793","9.674","0.0001","12.4192","0.0001","8.5156","0.0001","90","","108.736","0.001","90","","968.878","0.018","170","2","170","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C7 H10 N O4 Re -","- C7 H10 N O4 Re -","- C28 H40 N4 O16 Re4 -","4","1","","Morris, Danny S.; van Rees, Karlotta; Curcio, Massimiliano; Cokoja, Mirza; Kühn, Fritz E.; Duarte, Fernanda; Love, Jason B.","Deoxydehydration of vicinal diols and polyols catalyzed by pyridinium perrhenate salts","Catal. Sci. Technol.","2017","","","","","10.1039/C7CY01728F","","x-ray","0.71073","MoKα","","0.0157","0.015","","","0.0331","0.0333","","","","","","1.251","","","","has coordinates","202333","2020-10-21","18:00:00",""
"1547794","12.2151","0.0002","10.4607","0.0001","8.8902","0.0001","90","","105.704","0.002","90","","1093.57","0.03","170","2","170","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C8 H12 N O4 Re -","- C8 H12 N O4 Re -","- C32 H48 N4 O16 Re4 -","4","1","","Morris, Danny S.; van Rees, Karlotta; Curcio, Massimiliano; Cokoja, Mirza; Kühn, Fritz E.; Duarte, Fernanda; Love, Jason B.","Deoxydehydration of vicinal diols and polyols catalyzed by pyridinium perrhenate salts","Catal. Sci. Technol.","2017","","","","","10.1039/C7CY01728F","","x-ray","0.71073","MoKα","","0.0268","0.0205","","","0.0392","0.0413","","","","","","1.075","","","","has coordinates","202333","2020-10-21","18:00:00",""
"1547795","8.3466","0.0003","10.4128","0.0004","10.9082","0.0006","113.523","0.004","92.589","0.004","97.987","0.003","855.53","0.07","293","2","293","2","","","","","","","","6","P -1","-P 1","2","","","","- C5 H5 Br N O4 Re -","- C5 H5 Br N O4 Re -","- C20 H20 Br4 N4 O16 Re4 -","4","2","","Morris, Danny S.; van Rees, Karlotta; Curcio, Massimiliano; Cokoja, Mirza; Kühn, Fritz E.; Duarte, Fernanda; Love, Jason B.","Deoxydehydration of vicinal diols and polyols catalyzed by pyridinium perrhenate salts","Catal. Sci. Technol.","2017","","","","","10.1039/C7CY01728F","","x-ray","0.71073","MoKα","","0.047","0.0422","","","0.1048","0.1085","","","","","","1.112","","","","has coordinates","214153","2020-10-21","18:00:00",""
"1547796","13.0504","0.0002","12.1955","0.0002","12.2542","0.0002","90","","95.553","0.002","90","","1941.18","0.05","170","2","170","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C6 H14 N O4 Re -","- C6 H14 N O4 Re -","- C48 H112 N8 O32 Re8 -","8","1","","Morris, Danny S.; van Rees, Karlotta; Curcio, Massimiliano; Cokoja, Mirza; Kühn, Fritz E.; Duarte, Fernanda; Love, Jason B.","Deoxydehydration of vicinal diols and polyols catalyzed by pyridinium perrhenate salts","Catal. Sci. Technol.","2017","","","","","10.1039/C7CY01728F","","x-ray","0.71073","MoKα","","0.0172","0.0156","","","0.0337","0.0343","","","","","","1.157","","","","has coordinates","215051","2020-10-21","18:00:00",""
"1547797","8.9052","0.0002","8.4384","0.0001","10.9159","0.0002","90","","90.016","0.002","90","","820.28","0.03","170","2","170","2","","","","","","","","5","P 1 21/m 1","-P 2yb","11","","","","- C14 H24 N O4 Re -","- C14 H24 N O4 Re -","- C28 H48 N2 O8 Re2 -","2","0.5","","Morris, Danny S.; van Rees, Karlotta; Curcio, Massimiliano; Cokoja, Mirza; Kühn, Fritz E.; Duarte, Fernanda; Love, Jason B.","Deoxydehydration of vicinal diols and polyols catalyzed by pyridinium perrhenate salts","Catal. Sci. Technol.","2017","","","","","10.1039/C7CY01728F","","x-ray","0.71073","MoKα","","0.0214","0.0203","","","0.0442","0.0445","","","","","","1.308","","","","has coordinates,has disorder","202333","2020-10-21","18:00:00",""
"1547798","5.2446","0.0001","12.7123","0.0002","12.802","0.0002","90","","95.597","0.001","90","","849.45","0.02","170","2","170","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C5 H5 Cl N O4 Re -","- C5 H5 Cl N O4 Re -","- C20 H20 Cl4 N4 O16 Re4 -","4","1","","Morris, Danny S.; van Rees, Karlotta; Curcio, Massimiliano; Cokoja, Mirza; Kühn, Fritz E.; Duarte, Fernanda; Love, Jason B.","Deoxydehydration of vicinal diols and polyols catalyzed by pyridinium perrhenate salts","Catal. Sci. Technol.","2017","","","","","10.1039/C7CY01728F","","x-ray","0.71073","MoKα","","0.02","0.0181","","","0.0467","0.0477","","","","","","1.092","","","","has coordinates","215051","2020-10-21","18:00:00",""
"1547799","10.91","0.004","12.115","0.005","18.761","0.008","80.274","0.009","83.225","0.009","77.211","0.01","2375.1","1.7","273","2","273","2","","","","","","","","5","P -1","-P 1","2","","","","- C26 H6 Al F15 O -","- C26 H6 Al F15 O -","- C104 H24 Al4 F60 O4 -","4","2","","Lin, Fei; Wang, Meiyan; Cui, Dongmei","Renewable Benzofuran Polymerization Initiated by Lewis Acid Al(C6F5)3 and Mechanism","Macromolecules","2017","50","21","8449","","10.1021/acs.macromol.7b01928","","","0.71073","MoKα","","0.1561","0.0733","","","0.1741","0.2396","","","","","","0.973","","","","has coordinates","203998","2020-10-21","18:00:00",""
"1547800","7.3285","0.0002","9.4849","0.0002","40.0645","0.0008","90","","90","","90","","2784.89","0.11","291","2","293","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C27 H23 Cl Fe N2 -","- C27 H23 Cl Fe N2 -","- C108 H92 Cl4 Fe4 N8 -","4","1","","Chen, Zhixiong; Han, Lu; Tian, Shi-Kai","Activation and Substitution of 1-Ferrocenylalkylamines with Allenones: Application to Three-Component Synthesis of 4-(1-Ferrocenylalkyl)pyrazoles.","Organic letters","2017","19","21","5852","5855","10.1021/acs.orglett.7b02830","","","1.54184","CuKα","","0.0855","0.0708","","","0.1946","0.209","","","","","","1.064","","","","has coordinates","202857","2020-10-21","18:00:00",""
"1547801","12.931","0.005","10.477","0.004","18.151","0.007","90","","90","","90","","2459.1","1.6","293.15","","293.15","","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C11 H11 I O2 Se -","- C11 H11 I O2 Se -","- C88 H88 I8 O16 Se8 -","8","1","","Maity, Pintu; Paroi, Bidisha; Ranu, Brindaban C.","Transition-Metal-Free Iodine Catalyzed Selenocayanation of Styrenyl Bromides and an Easy Access to Benzoselenophenes via Intermediacy of Styrenyl Selenocyanate.","Organic letters","2017","19","21","5748","5751","10.1021/acs.orglett.7b02571","","","0.71073","MoKα","","0.0654","0.0452","","","0.136","0.1517","","","","","","1.038","","","","has coordinates","202868","2020-10-21","18:00:00",""
"1547802","14.2597","0.0012","14.2597","0.0012","17.793","0.002","90","","90","","90","","3618","0.6","100","2","100.1","","","","","","","","","7","P 4/n","-P 4a","85","","","","- C48 H46 Cl2 Eu F12 N8 O6.66 -","- C48 H46 Cl2 Eu F12 N8 O6.6665 -","- C96 H92 Cl4 Eu2 F24 N16 O13.333 -","2","","","Basal, Lina A.; Bailey, Matthew D.; Romero, Jonathan; Ali, Meser M.; Kurenbekova, Lyazat; Yustein, Jason; Pautler, Robia G.; Allen, Matthew J.","Fluorinated EuII-based multimodal contrast agent for temperature- and redox-responsive magnetic resonance imaging","Chem. Sci.","2017","","","","","10.1039/C7SC03142D","","","0.71073","MoKα","","0.1261","0.0986","","","0.2713","0.2933","","","","","","0.983","","","","has coordinates,has disorder","202364","2020-10-21","18:00:00",""
"1547803","10.8737","0.0014","26.268","0.004","11.667","0.0014","90","","117.775","0.007","90","","2948.5","0.7","100","2","100.1","","","","","","","","","7","P 1 2/n 1","-P 2yac","13","","","","- C48 H64 Cl3 Eu F12 N8 O11 -","- C48 H64 Cl3 Eu F12 N8 O11 -","- C96 H128 Cl6 Eu2 F24 N16 O22 -","2","0.5","","Basal, Lina A.; Bailey, Matthew D.; Romero, Jonathan; Ali, Meser M.; Kurenbekova, Lyazat; Yustein, Jason; Pautler, Robia G.; Allen, Matthew J.","Fluorinated EuII-based multimodal contrast agent for temperature- and redox-responsive magnetic resonance imaging","Chem. Sci.","2017","","","","","10.1039/C7SC03142D","","","0.71073","MoKα","","0.0767","0.0671","","","0.148","0.1534","","","","","","1.029","","","","has coordinates,has disorder","202364","2020-10-21","18:00:00",""
"1547804","36.5943","0.0012","36.5943","0.0012","6.7186","0.0002","90","","90","","120","","7791.8","0.4","100","2","100","2","","","","","","","","5","R -3","-R 3","148","Zn2(pc-dobpdc)(DMA)2","","","- C22 H24 N2 O8 Zn2 -","- C22 H24 N2 O8 Zn2 -","- C198 H216 N18 O72 Zn18 -","9","","","Milner, Phillip John; Martell, Jeffrey Daniel; Siegelman, Rebecca; Gygi, David; Weston, Simon; Long, Jeffrey R.","Overcoming double-step CO2 adsorption and minimizing water co-adsorption in bulky diamine-appended variants of Mg2(dobpdc)","Chem. Sci.","2017","","","","","10.1039/C7SC04266C","","","0.7749","synchrotron","","0.0776","0.0595","","","0.1618","0.1712","","","","","","1.066","","","","has coordinates","202365","2020-10-21","18:00:00",""
"1547806","15.066","0.002","8.9311","0.0015","18.428","0.003","90","","109.998","0.005","90","","2330.1","0.6","296","2","296","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C27 H20 Br F3 O2 -","- C27 H20 Br F3 O2 -","- C108 H80 Br4 F12 O8 -","4","2","","Zhang, Junyou; Wu, Hai-Hong; Zhang, Junliang","Enantioselective Phosphine-Catalyzed Allylic Alkylations of mix-Indene with MBH Carbonates.","Organic letters","2017","19","22","6080","6083","10.1021/acs.orglett.7b02895","","","0.71073","MoKα","","0.1082","0.0459","","","0.0709","0.0904","","","","","","1.001","","","","has coordinates","204890","2020-10-21","18:00:00",""
"1547807","10.91","0.005","13.241","0.008","14.469","0.007","103.07","0.02","106.042","0.017","113.592","0.019","1701","1.6","296","2","296","2","","","","","","","","5","P -1","-P 1","2","","","","- C76 H64 Cl4 N2 O12 -","- C76 H64 Cl4 N2 O12 -","- C76 H64 Cl4 N2 O12 -","1","0.5","","Li, Xiaoying; Poon, Chun-Ting; Hong, Eugene Yau-Hin; Wong, Hok-Lai; Chan, Alan Kwun-Wa; Wu, Lixin; Yam, Vivian Wing-Wah","Multi-modulation for self-assemblies of amphiphilic rigid‒soft compounds through alteration of solution polarity and temperature","Soft Matter","2017","","","","","10.1039/C7SM01754E","","","0.71073","MoKα","","0.1225","0.0731","","","0.2118","0.2517","","","","","","1.055","","","","has coordinates,has disorder","202404","2020-10-21","18:00:00",""
"1547808","8.0683","0.0004","10.7464","0.0006","15.6155","0.0008","90","","90.89","0.002","90","","1353.78","0.12","298","2","298","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","(E)-N'-(3,5-dichloro-2-hydroxybenzylidene)isonicotinohydrazide","(E)-N'-(3,5-dichloro-2-hydroxybenzylidene)isonicotinohydrazide","","- C13 H9 Cl2 N3 O2 -","- C13 H9 Cl2 N3 O2 -","- C52 H36 Cl8 N12 O8 -","4","1","ED5012","Mittapalli, Sudhir; Perumalla, D. Sravanakumar; Nanubolu, Jagadeesh Babu; Nangia, Ashwini","Thermomechanical effect in molecular crystals: the role of halogen-bonding interactions","IUCrJ","2017","4","6","812","823","10.1107/S2052252517014658","","","0.71073","MoKα","","0.0404","0.0327","","","0.0861","0.0916","","","","","","1.034","","","","has coordinates","202405","2020-10-21","18:00:00",""
"1547809","15.441","0.003","8.3179","0.0016","10.6014","0.0018","90","","90","","90","","1361.6","0.4","298","2","298","2","","","","","","","","5","P c a 21","P 2c -2ac","29","(E)-N'-(3,5-dichloro-2-hydroxybenzylidene)isonicotinohydrazide","(E)-N'-(3,5-dichloro-2-hydroxybenzylidene)isonicotinohydrazide","","- C13 H9 Cl2 N3 O2 -","- C13 H9 Cl2 N3 O2 -","- C52 H36 Cl8 N12 O8 -","4","1","ED5012","Mittapalli, Sudhir; Perumalla, D. Sravanakumar; Nanubolu, Jagadeesh Babu; Nangia, Ashwini","Thermomechanical effect in molecular crystals: the role of halogen-bonding interactions","IUCrJ","2017","4","6","812","823","10.1107/S2052252517014658","","","0.71073","MoKα","","0.0263","0.0245","","","0.0616","0.0626","","","","","","1.096","","","","has coordinates","202405","2020-10-21","18:00:00",""
"1547810","8.6916","0.0006","10.2641","0.0007","15.4965","0.001","90","","90.186","0.002","90","","1382.46","0.16","338","2","338","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","(E)-N'-(3,5-dichloro-2-hydroxybenzylidene)isonicotinohydrazide","(E)-N'-(3,5-dichloro-2-hydroxybenzylidene)isonicotinohydrazide","","- C13 H9 Cl2 N3 O2 -","- C13 H9 Cl2 N3 O2 -","- C52 H36 Cl8 N12 O8 -","4","1","ED5012","Mittapalli, Sudhir; Perumalla, D. Sravanakumar; Nanubolu, Jagadeesh Babu; Nangia, Ashwini","Thermomechanical effect in molecular crystals: the role of halogen-bonding interactions","IUCrJ","2017","4","6","812","823","10.1107/S2052252517014658","","","0.71073","MoKα","","0.0934","0.0811","","","0.2905","0.2943","","","","","","1.535","","","","has coordinates","202405","2020-10-21","18:00:00",""
"1547811","8.266","0.002","10.917","0.002","15.734","0.003","90","0.03","95.82","0.03","90","0.03","1412.5","0.5","298","2","298","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","(E)-N'-(3,5-dibromo-2-hydroxybenzylidene)isonicotinohydrazide","(E)-N'-(3,5-dibromo-2-hydroxybenzylidene)isonicotinohydrazide","","- C13 H9 Br2 N3 O2 -","- C13 H9 Br2 N3 O2 -","- C52 H36 Br8 N12 O8 -","4","1","","Mittapalli, Sudhir; Perumalla, D. Sravanakumar; Nanubolu, Jagadeesh Babu; Nangia, Ashwini","Thermomechanical effect in molecular crystals: the role of halogen-bonding interactions","IUCrJ","2017","4","6","812","823","10.1107/S2052252517014658","","","0.71075","MoKα","","0.0664","0.047","","","0.0954","0.1028","","","","","","1.053","","","","has coordinates","202405","2020-10-21","18:00:00",""
"1547812","9.8084","0.0007","10.7751","0.0008","13.9516","0.0009","103.219","0.003","94.907","0.003","91.018","0.003","1429.11","0.17","298","2","298","2","","","","","","","","5","P -1","-P 1","2","(E)-N'-(3,5-dibromo-2-hydroxybenzylidene)isonicotinohydrazide","(E)-N'-(3,5-dibromo-2-hydroxybenzylidene)isonicotinohydrazide","","- C13 H9 Br2 N3 O2 -","- C13 H9 Br2 N3 O2 -","- C52 H36 Br8 N12 O8 -","4","2","","Mittapalli, Sudhir; Perumalla, D. Sravanakumar; Nanubolu, Jagadeesh Babu; Nangia, Ashwini","Thermomechanical effect in molecular crystals: the role of halogen-bonding interactions","IUCrJ","2017","4","6","812","823","10.1107/S2052252517014658","","","0.71073","MoKα","","0.0591","0.0478","","","0.1102","0.118","","","","","","1.042","","","","has coordinates","202405","2020-10-21","18:00:00",""
"1547813","8.2475","0.0009","10.8035","0.0011","15.7971","0.0015","90","","96.098","0.003","90","","1399.6","0.2","298","2","298","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","(E)-N'-(3-bromo-5-chloro-2-hydroxybenzylidene)isonicotinohydrazide","(E)-N'-(3-bromo-5-chloro-2-hydroxybenzylidene)isonicotinohydrazide","","- C13 H9 Br Cl N3 O2 -","- C13 H9 Br Cl N3 O2 -","- C52 H36 Br4 Cl4 N12 O8 -","4","1","","Mittapalli, Sudhir; Perumalla, D. Sravanakumar; Nanubolu, Jagadeesh Babu; Nangia, Ashwini","Thermomechanical effect in molecular crystals: the role of halogen-bonding interactions","IUCrJ","2017","4","6","812","823","10.1107/S2052252517014658","","","0.71073","MoKα","","0.0391","0.0354","","","0.0963","0.099","","","","","","1.077","","","","has coordinates","202405","2020-10-21","18:00:00",""
"1547814","8.651","0.002","10.446","0.003","15.68","0.004","90","","94.116","0.011","90","","1413.3","0.6","368","2","368","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","(E)-N'-(3-bromo-5-chloro-2-hydroxybenzylidene)isonicotinohydrazide","(E)-N'-(3-bromo-5-chloro-2-hydroxybenzylidene)isonicotinohydrazide","","- C13 H9 Br Cl N3 O2 -","- C13 H9 Br Cl N3 O2 -","- C52 H36 Br4 Cl4 N12 O8 -","4","1","","Mittapalli, Sudhir; Perumalla, D. Sravanakumar; Nanubolu, Jagadeesh Babu; Nangia, Ashwini","Thermomechanical effect in molecular crystals: the role of halogen-bonding interactions","IUCrJ","2017","4","6","812","823","10.1107/S2052252517014658","","","0.71073","MoKα","","0.135","0.0878","","","0.1796","0.2015","","","","","","1.143","","","","has coordinates","202405","2020-10-21","18:00:00",""
"1547815","8.2946","0.0005","11.2673","0.0006","16.2177","0.001","90","","97.993","0.002","90","","1500.95","0.15","298","2","298","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","(E)-N'-(3,5-diiodo-2-hydroxybenzylidene)isonicotinohydrazide","(E)-N'-(3,5-diiodo-2-hydroxybenzylidene)isonicotinohydrazide","","- C13 H9 I2 N3 O2 -","- C13 H9 I2 N3 O2 -","- C52 H36 I8 N12 O8 -","4","1","","Mittapalli, Sudhir; Perumalla, D. Sravanakumar; Nanubolu, Jagadeesh Babu; Nangia, Ashwini","Thermomechanical effect in molecular crystals: the role of halogen-bonding interactions","IUCrJ","2017","4","6","812","823","10.1107/S2052252517014658","","","0.71073","MoKα","","0.0307","0.0272","","","0.067","0.0698","","","","","","1.111","","","","has coordinates","202405","2020-10-21","18:00:00",""
"1547816","7.897","0.002","10.396","0.002","14.989","0.003","90","0.03","92.27","0.03","90","0.03","1229.6","0.5","298","2","298","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","(E)-N'-(3,5-difluoro-2-hydroxybenzylidene)isonicotinohydrazide","(E)-N'-(3,5-difluoro-2-hydroxybenzylidene)isonicotinohydrazide","","- C13 H9 F2 N3 O2 -","- C13 H9 F2 N3 O2 -","- C52 H36 F8 N12 O8 -","4","1","","Mittapalli, Sudhir; Perumalla, D. Sravanakumar; Nanubolu, Jagadeesh Babu; Nangia, Ashwini","Thermomechanical effect in molecular crystals: the role of halogen-bonding interactions","IUCrJ","2017","4","6","812","823","10.1107/S2052252517014658","","","0.71075","MoKα","","0.0716","0.0457","","","0.1088","0.1229","","","","","","1.096","","","","has coordinates","202405","2020-10-21","18:00:00",""
"1547820","11.4981","0.0006","8.6697","0.0004","19.4068","0.0011","90","","94.782","0.002","90","","1927.83","0.17","298","","298","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C25 H19 N O3 -","- C25 H19 N O3 -","- C100 H76 N4 O12 -","4","1","","Samineni, Ramesh; Madapa, Jaipal; Pabbaraja, Srihari; Mehta, Goverdhan","Stitching Oxindoles and Ynones in a Domino Process: Access to Spirooxindoles and Application to a Short Synthesis of Spindomycin B.","Organic letters","2017","19","22","6152","6155","10.1021/acs.orglett.7b03030","","","0.71073","MoKα","","0.0512","0.0397","","","0.0843","0.0886","","","","","","1.167","","","","has coordinates","204883","2020-10-21","18:00:00",""
"1547821","16.581","0.003","10.7796","0.0019","17.25","0.003","90","","102.204","0.007","90","","3013.5","0.9","298","2","298","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C18 H17 N O3 -","- C18 H17 N O3 -","- C144 H136 N8 O24 -","8","1","","Samineni, Ramesh; Madapa, Jaipal; Pabbaraja, Srihari; Mehta, Goverdhan","Stitching Oxindoles and Ynones in a Domino Process: Access to Spirooxindoles and Application to a Short Synthesis of Spindomycin B.","Organic letters","2017","19","22","6152","6155","10.1021/acs.orglett.7b03030","","","0.71073","MoKα","","0.1131","0.0872","","","0.2361","0.2519","","","","","","1.065","","","","has coordinates","204883","2020-10-21","18:00:00",""
"1547822","6.538","0.002","16.718","0.006","13.471","0.005","90","","90.09","0.008","90","","1472.4","0.9","100","","100","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C16 H19 B O4 -","- C16 H19 B O4 -","- C64 H76 B4 O16 -","4","1","","Murai, Masahito; Mizuta, Chisato; Taniguchi, Ryuji; Takai, Kazuhiko","Synthesis of Borylcyclopropanes by Chromium-Promoted Cyclopropanation of Unactivated Alkenes.","Organic letters","2017","19","22","6104","6107","10.1021/acs.orglett.7b02956","","","0.71075","MoKα","","0.0905","0.0837","","","0.2473","0.2507","","","","","","1.12","","","","has coordinates","204885","2020-10-21","18:00:00",""
"1547823","19.911","0.01","5.551","0.003","30.35","0.02","90","","95.908","0.008","90","","3337","3","110","2","110","2","","","","","","","","3","I 1 2 1","I 2y","5","","","","- C16 H26.5 O7.25 -","- C16 H26.5 O7.25 -","- C128 H212 O58 -","8","2","","Hurtak, Jessica A.; McDonald, Frank E.","Synthesis of the ABC Substructure of Brevenal by Sequential exo-Mode Oxacyclizations of Acyclic Polyene Precursors.","Organic letters","2017","19","22","6036","6039","10.1021/acs.orglett.7b02538","","","0.71073","MoKα","","0.0694","0.053","","","0.1138","0.1229","","","","","","1.064","","","","has coordinates","215051","2020-10-21","18:00:00",""
"1547824","10.02693","0.00017","11.10793","0.00017","14.3797","0.0003","90","","90","","90","","1601.59","0.05","100","2","100","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C15 H25 I O5 -","- C15 H25 I O5 -","- C60 H100 I4 O20 -","4","1","","Hurtak, Jessica A.; McDonald, Frank E.","Synthesis of the ABC Substructure of Brevenal by Sequential exo-Mode Oxacyclizations of Acyclic Polyene Precursors.","Organic letters","2017","19","22","6036","6039","10.1021/acs.orglett.7b02538","","","0.71073","MoKα","","0.024","0.0238","","","0.0612","0.0613","","","","","","1.116","","","","has coordinates","204888","2020-10-21","18:00:00",""
"1547825","10.697","0.005","9.009","0.004","16.863","0.009","90","","106.217","0.008","90","","1560.4","1.3","100","","100","","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","","","- C19 H18 O4 -","- C19 H18 O4 -","- C76 H72 O16 -","4","1","","Gharpure, Santosh J.; Anuradha, Dandela","Synthesis of Benzo[1,4]heterocycles using Palladium Catalyzed Heck Reaction to Vinylogous Carbonates/Carbamates: Unexpected Formation of Indoles via Carbopalladation Intercepted by Nucleopalladation.","Organic letters","2017","19","22","6136","6139","10.1021/acs.orglett.7b03016","","","0.71075","MoKα","","","0.0365","","","","0.1036","","","","","","1.08","","","","has coordinates","204889","2020-10-21","18:00:00",""
"1547826","14.411","0.003","12.274","0.003","13.749","0.003","90","","112.87","0.002","90","","2240.8","0.9","100","","100","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C26 H25 N O5 S -","- C26 H25 N O5 S -","- C104 H100 N4 O20 S4 -","4","1","","Gharpure, Santosh J.; Anuradha, Dandela","Synthesis of Benzo[1,4]heterocycles using Palladium Catalyzed Heck Reaction to Vinylogous Carbonates/Carbamates: Unexpected Formation of Indoles via Carbopalladation Intercepted by Nucleopalladation.","Organic letters","2017","19","22","6136","6139","10.1021/acs.orglett.7b03016","","","0.7107","MoKα","","","0.0386","","","","0.0917","","","","","","1.079","","","","has coordinates","204889","2020-10-21","18:00:00",""
"1547827","9.304","0.005","10.764","0.006","11.843","0.006","98.386","0.007","96.739","0.006","109.699","0.006","1086.9","1","100","","100","","","","","","","","","5","P -1","-P 1","2","","","","- C24 H27 N O5 S -","- C24 H27 N O5 S -","- C48 H54 N2 O10 S2 -","2","1","","Gharpure, Santosh J.; Anuradha, Dandela","Synthesis of Benzo[1,4]heterocycles using Palladium Catalyzed Heck Reaction to Vinylogous Carbonates/Carbamates: Unexpected Formation of Indoles via Carbopalladation Intercepted by Nucleopalladation.","Organic letters","2017","19","22","6136","6139","10.1021/acs.orglett.7b03016","","","0.7107","MoKα","","","0.0486","","","","0.1207","","","","","","1.068","","","","has coordinates","204889","2020-10-21","18:00:00",""
"1547828","8.72","0.002","21.854","0.005","13.387","0.004","90","","104.956","0.005","90","","2464.7","1.1","100","2","100.15","","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C28 H29 N O6 S -","- C28 H29 N O6 S -","- C112 H116 N4 O24 S4 -","4","1","","Gharpure, Santosh J.; Anuradha, Dandela","Synthesis of Benzo[1,4]heterocycles using Palladium Catalyzed Heck Reaction to Vinylogous Carbonates/Carbamates: Unexpected Formation of Indoles via Carbopalladation Intercepted by Nucleopalladation.","Organic letters","2017","19","22","6136","6139","10.1021/acs.orglett.7b03016","","","0.71075","MoKα","","0.0479","0.0412","","","0.095","0.0998","","","","","","1.043","","","","has coordinates","204889","2020-10-21","18:00:00",""
"1547829","9.377","0.002","10.292","0.002","12.467","0.004","75.494","0.017","70.702","0.016","64.502","0.015","1016.7","0.5","100","","100","","","","","","","","","4","P -1","-P 1","2","","","","- C22 H22 N2 O8 -","- C22 H22 N2 O8 -","- C44 H44 N4 O16 -","2","1","","Gharpure, Santosh J.; Anuradha, Dandela","Synthesis of Benzo[1,4]heterocycles using Palladium Catalyzed Heck Reaction to Vinylogous Carbonates/Carbamates: Unexpected Formation of Indoles via Carbopalladation Intercepted by Nucleopalladation.","Organic letters","2017","19","22","6136","6139","10.1021/acs.orglett.7b03016","","","0.71075","MoKα","","","0.0594","","","","0.1719","","","","","","1.063","","","","has coordinates","204889","2020-10-21","18:00:00",""
"1547830","11.1174","0.001","8.648","0.007","14.313","0.013","90","","92.161","0.016","90","","1375.1","1.7","100","","100","","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","","","- C16 H18 O4 -","- C16 H18 O4 -","- C64 H72 O16 -","4","1","","Gharpure, Santosh J.; Anuradha, Dandela","Synthesis of Benzo[1,4]heterocycles using Palladium Catalyzed Heck Reaction to Vinylogous Carbonates/Carbamates: Unexpected Formation of Indoles via Carbopalladation Intercepted by Nucleopalladation.","Organic letters","2017","19","22","6136","6139","10.1021/acs.orglett.7b03016","","","0.7107","MoKα","","","0.0841","","","","0.2447","","","","","","0.981","","","","has coordinates","204889","2020-10-21","18:00:00",""
"1547831","10.5546","0.0003","22.9756","0.0009","13.1098","0.0005","90","","98.657","0.003","90","","3142.9","0.2","293","2","293","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C17 H20 O3 S -","- C17 H20 O3 S -","- C136 H160 O24 S8 -","8","2","","Gharpure, Santosh J.; Anuradha, Dandela","Synthesis of Benzo[1,4]heterocycles using Palladium Catalyzed Heck Reaction to Vinylogous Carbonates/Carbamates: Unexpected Formation of Indoles via Carbopalladation Intercepted by Nucleopalladation.","Organic letters","2017","19","22","6136","6139","10.1021/acs.orglett.7b03016","","x-ray","0.71073","MoKα","","0.0641","0.0448","","","0.1254","0.1641","","","","","","1.147","","","","has coordinates","204889","2020-10-21","18:00:00",""
"1547832","11.018","0.011","11.202","0.011","12.907","0.011","76.79","0.04","79.73","0.04","84.52","0.04","1524","3","100","","100","","","","","","","","","4","P -1","-P 1","2","","","","- C17 H21 N O3 -","- C17 H21 N O3 -","- C68 H84 N4 O12 -","4","2","","Gharpure, Santosh J.; Anuradha, Dandela","Synthesis of Benzo[1,4]heterocycles using Palladium Catalyzed Heck Reaction to Vinylogous Carbonates/Carbamates: Unexpected Formation of Indoles via Carbopalladation Intercepted by Nucleopalladation.","Organic letters","2017","19","22","6136","6139","10.1021/acs.orglett.7b03016","","","0.71075","MoKα","","0.0949","0.0691","","","0.1435","0.1587","","","","","","1.094","","","","has coordinates","204889","2020-10-21","18:00:00",""
"1547833","11.246","0.0011","11.3077","0.0018","11.3931","0.0019","86.918","0.011","62.751","0.006","68.161","0.009","1183.6","0.3","100","","100","","","","","","","","","5","P -1","-P 1","2","","","","- C27 H27 N O5 S -","- C27 H27 N O5 S -","- C54 H54 N2 O10 S2 -","2","1","","Gharpure, Santosh J.; Anuradha, Dandela","Synthesis of Benzo[1,4]heterocycles using Palladium Catalyzed Heck Reaction to Vinylogous Carbonates/Carbamates: Unexpected Formation of Indoles via Carbopalladation Intercepted by Nucleopalladation.","Organic letters","2017","19","22","6136","6139","10.1021/acs.orglett.7b03016","","","0.7107","MoKα","","","0.0547","","","","0.1809","","","","","","1.079","","","","has coordinates","204889","2020-10-21","18:00:00",""
"1547834","11.5447","0.0007","17.0612","0.0009","12.493","0.0008","90","","113.393","0.007","90","","2258.4","0.3","293","2","293","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C24 H29 N O5 S -","- C24 H29 N O5 S -","- C96 H116 N4 O20 S4 -","4","1","","Gharpure, Santosh J.; Anuradha, Dandela","Synthesis of Benzo[1,4]heterocycles using Palladium Catalyzed Heck Reaction to Vinylogous Carbonates/Carbamates: Unexpected Formation of Indoles via Carbopalladation Intercepted by Nucleopalladation.","Organic letters","2017","19","22","6136","6139","10.1021/acs.orglett.7b03016","","x-ray","0.71073","MoKα","","0.0749","0.0576","","","0.1417","0.1548","","","","","","1.072","","","","has coordinates","204889","2020-10-21","18:00:00",""
"1547837","11.34029","0.0001","10.58915","0.00008","11.42721","0.00011","90","","103.643","0.0009","90","","1333.51","0.02","99.9","0.3","99.9","0.3","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C15 H24 O2 -","- C15 H24 O2 -","- C60 H96 O8 -","4","1","","Ma, Chi Thanh; Eom, Taeyong; Cho, Eunji; Wu, Bo; Kim, Tae Ryong; Oh, Ki Bong; Han, Sang Beom; Kwon, Sung Won; Park, Jeong Hill","Aquilanols A and B, Macrocyclic Humulene-Type Sesquiterpenoids from the Agarwood of Aquilaria malaccensis.","Journal of natural products","2017","80","11","3043","3048","10.1021/acs.jnatprod.7b00462","","x-ray","1.54184","CuKα","","0.0384","0.0367","","","0.0989","0.1005","","","","","","1.047","","","","has coordinates","203990","2020-10-21","18:00:00",""
"1547838","11.6837","0.0003","6.49484","0.0002","18.4991","0.0006","90","","100.765","0.003","90","","1379.08","0.07","295","0.2","295","0.2","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","","","- C15 H24 O3 -","- C15 H24 O3 -","- C60 H96 O12 -","4","1","","Ma, Chi Thanh; Eom, Taeyong; Cho, Eunji; Wu, Bo; Kim, Tae Ryong; Oh, Ki Bong; Han, Sang Beom; Kwon, Sung Won; Park, Jeong Hill","Aquilanols A and B, Macrocyclic Humulene-Type Sesquiterpenoids from the Agarwood of Aquilaria malaccensis.","Journal of natural products","2017","80","11","3043","3048","10.1021/acs.jnatprod.7b00462","","x-ray","1.54184","CuKα","","0.0473","0.0394","","","0.1084","0.1154","","","","","","1.055","","","","has coordinates","203990","2020-10-21","18:00:00",""
"1547839","11.6837","0.0003","6.4948","0.0002","18.4991","0.0006","90","","100.765","0.003","90","","1379.07","0.07","295","0.2","295","0.2","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","","","- C15 H24 O3 -","- C15 H24 O3 -","- C60 H96 O12 -","4","1","","Ma, Chi Thanh; Eom, Taeyong; Cho, Eunji; Wu, Bo; Kim, Tae Ryong; Oh, Ki Bong; Han, Sang Beom; Kwon, Sung Won; Park, Jeong Hill","Aquilanols A and B, Macrocyclic Humulene-Type Sesquiterpenoids from the Agarwood of Aquilaria malaccensis.","Journal of natural products","2017","80","11","3043","3048","10.1021/acs.jnatprod.7b00462","","x-ray","1.54184","CuKα","","0.0473","0.0394","","","0.1078","0.1147","","","","","","1.046","","","","has coordinates","203990","2020-10-21","18:00:00",""
"1547840","12.01771","0.00012","6.66052","0.00007","18.21093","0.00019","90","","98.0021","0.0009","90","","1443.49","0.03","100","0.4","100","0.4","","","","","","","","3","P 1 21 1","P 2yb","4","","","","- C16 H22 O4 -","- C16 H22 O4 -","- C64 H88 O16 -","4","2","","Ma, Chi Thanh; Eom, Taeyong; Cho, Eunji; Wu, Bo; Kim, Tae Ryong; Oh, Ki Bong; Han, Sang Beom; Kwon, Sung Won; Park, Jeong Hill","Aquilanols A and B, Macrocyclic Humulene-Type Sesquiterpenoids from the Agarwood of Aquilaria malaccensis.","Journal of natural products","2017","80","11","3043","3048","10.1021/acs.jnatprod.7b00462","","x-ray","1.54184","CuKα","","0.027","0.0263","","","0.0681","0.0687","","","","","","1.031","","","","has coordinates","203990","2020-10-21","18:00:00",""
"1547841","10.0991","0.0016","10.6816","0.0013","11.0208","0.0011","61.574","0.008","78.04","0.013","87.766","0.014","1020.4","0.2","133","2","133.15","","","","","","","","","4","P -1","-P 1","2","","","","- C23 H24 N2 O5 -","- C23 H24 N2 O5 -","- C46 H48 N4 O10 -","2","1","","Xie, Jialin; Huang, Yuanqiong; Song, Hongjian; Liu, Yuxiu; Wang, Qingmin","Copper-Catalyzed Aerobic Oxidative [2 + 3] Cyclization/Aromatization Cascade Reaction: Atom-Economical Access to Tetrasubstituted 4,5-Biscarbonyl Imidazoles.","Organic letters","2017","19","22","6056","6059","10.1021/acs.orglett.7b02767","","","0.71073","MoKα","","0.0619","0.055","","","0.1536","0.1608","","","","","","1.039","","","","has coordinates","204884","2020-10-21","18:00:00",""
"1547842","18.8797","0.0007","13.6265","0.0005","24.4476","0.0008","90","","94.0494","0.0011","90","","6273.8","0.4","200","2","200","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C37 H32 I N3 O3 -","- C37 H32 I N3 O3 -","- C296 H256 I8 N24 O24 -","8","1","","Balalaie, Saeed; Mirzaie, Sattar; Nikbakht, Ali; Hamdan, Fatima; Rominger, Frank; Navari, Razieh; Bijanzadeh, Hamid Reza","Indium-Catalyzed Intramolecular Hydroamidation of Alkynes: An Exo-Dig Cyclization for the Synthesis of Pyranoquinolines through Post-Transformational Reaction.","Organic letters","2017","19","22","6124","6127","10.1021/acs.orglett.7b02603","","","0.71073","MoKα","","0.088","0.0513","","","0.1113","0.1271","","","","","","1.014","","","","has coordinates,has disorder","204893","2020-10-21","18:00:00",""
"1547844","12.7254","0.001","12.9133","0.0011","12.9402","0.001","62.081","0.001","62.803","0.001","89.87","0.001","1609.4","0.2","298","2","298","2","","","","","","","","6","P -1","-P 1","2","","[Co(dmso)6](BPh4)2","","- C60 H76 B2 Co O6 S6 -","- C60 H76 B2 Co O6 S6 -","- C60 H76 B2 Co O6 S6 -","1","0.5","","Sakiyama, Hiroshi; Sudo, Reiji; Abiko, Takaaki; Yoshioka, Daisuke; Mitsuhashi, Ryoji; Omote, Masataka; Mikuriya, Masahiro; Yoshitake, Megumi; Koikawa, Masayuki","Magneto-structural correlation of hexakis-dmso cobalt( <scp>ii</scp> ) complex","Dalton Transactions","2017","46","46","16306","16314","10.1039/C7DT03269B","","","0.71073","MoKα","","0.1048","0.057","","","0.1526","0.183","","","","","","0.949","","","","has coordinates,has disorder","282777","2023-04-20","11:56:51",""
"1547845","17.652","0.003","18.127","0.003","35.796","0.007","77.262","0.002","81.309","0.002","84.35","0.002","11019","3","173","2","173","2","","","","","","","","8","P -1","-P 1","2","Ag18(CCPh)14(PPh3)6Cl (SbPF6)4NEt3CH2Cl","","","- C227 H177 Ag18 Cl2 F24 N P6 Sb4 -","- C227 H177 Ag18 Cl2 F24 N P6 Sb4 -","- C454 H354 Ag36 Cl4 F48 N2 P12 Sb8 -","2","1","","Shen, Hui; Kubo, Kazuyuki; Kume, Shoko; Zhang, Limin; Mizuta, Tsutomu","Novel chloride-centered Ag <sub>18</sub> clusters featuring a cuboctahedral Ag <sub>12</sub> skeleton","Dalton Transactions","2017","46","46","16199","16204","10.1039/C7DT03195E","","","0.71073","MoKa","","0.1705","0.0838","","","0.2026","0.2445","","","","","","1.019","","","","has coordinates,has disorder","282777","2023-04-20","11:56:51",""
"1547846","18.465","0.002","19.82","0.002","20.121","0.003","117.453","0.001","116.671","0.001","92.003","0.002","5561","1.2","173","2","173","2","","","","","","","","7","P -1","-P 1","2","","","","- C238 H196 Ag18 Cl F18 P6 Sb3 -","- C238 H196 Ag18 Cl F18 P6 Sb3 -","- C238 H196 Ag18 Cl F18 P6 Sb3 -","1","0.5","","Shen, Hui; Kubo, Kazuyuki; Kume, Shoko; Zhang, Limin; Mizuta, Tsutomu","Novel chloride-centered Ag <sub>18</sub> clusters featuring a cuboctahedral Ag <sub>12</sub> skeleton","Dalton Transactions","2017","46","46","16199","16204","10.1039/C7DT03195E","","","0.71073","MoKa","","0.0999","0.0524","","","0.121","0.1549","","","","","","1.02","","","","has coordinates,has disorder","282777","2023-04-20","11:56:51",""
"1547847","4.12829","0.00002","4.12829","0.00002","4.12829","0.00002","90","","90","","90","","70.3575","0.0006","","","","","","","","","","","","4","P m -3 m","-P 4 2 3","221","BaNbO2N","","","- Ba N Nb O2 -","- Ba N0.9999 Nb O2.0001 -","- Ba N0.9999 Nb O2.0001 -","1","0.0208333","","Fujii, K.; Shimada, K.; Yashima, M.","Crystal-structure and electron-density analyses of the perovskite-type oxynitrides BaNbO2N and SrNbO2N through synchrotron X-ray powder diffraction","Journal of the Ceramic Society of Japan","2017","125","","808","810","","","","","","","","","","","","","","","","","","","","","","has coordinates","202475","2020-10-21","18:00:00",""
"1547848","5.71115","0.00004","5.71115","0.00004","8.10243","0.00006","90","","90","","90","","264.279","0.003","","","","","","","","","","","","4","I 4/m c m","-I 4 2c","140","SrNbO2N","","","- N Nb O2 Sr -","- N0.9999 Nb O2.0001 Sr -","- N3.9996 Nb4 O8.0004 Sr4 -","4","0.125","","Fujii, K.; Shimada, K.; Yashima, M.","Crystal-structure and electron-density analyses of the perovskite-type oxynitrides BaNbO2N and SrNbO2N through synchrotron X-ray powder diffraction","Journal of the Ceramic Society of Japan","2017","125","","808","810","","","","","","","","","","","","","","","","","","","","","","has coordinates","202476","2020-10-21","18:00:00",""
"1547849","10.45","0.0003","10.45","0.0003","10.45","0.0003","90","","90","","90","","1141.17","0.06","","","","","","","","","","","","4","F d -3 m","-F 4vw 2vw 3","227","Ag0.93TaO2.97 0.94H2O","","","- Ag0.93 H1.88 O3.91 Ta -","- Ag0.92 O4.844 Ta -","- Ag14.72 O77.504 Ta16 -","16","","","Withanage, I.; Kumada, N.; Takei, T.; Yanagida, S.; Kuroiwa, Y.; Moriyoshi, C.","Synthesis and crystal structure of pyrochlore-type silver niobate and tantalate","Journal of the Ceramic Society of Japan","2017","125","","776","778","","","","","","","","","","","","","","","","","","","","","","has coordinates","202477","2020-10-21","18:00:00",""
"1547850","5.286","0.003","5.286","0.003","5.286","0.003","90","","90","","90","","147.7","0.15","","","","","","","","","","","","3","F m -3 m","-F 4 2 3","225","Ag0.41Nb0.59O1.68","","","- Ag0.41 Nb0.59 O1.68 -","- Ag0.41 Nb0.59 O9.66 -","- Ag1.64 Nb2.36 O38.64 -","4","0.0208333","","Withanage, I.; Kumada, N.; Takei, T.; Yanagida, S.; Kuroiwa, Y.; Moriyoshi, C.","Synthesis and crystal structure of pyrochlore-type silver niobate and tantalate","Journal of the Ceramic Society of Japan","2017","125","","776","778","","","","","","","","","","","","","","","","","","","","","","has coordinates","202478","2020-10-21","18:00:00",""
"1547851","9.0178","0.0004","10.4563","0.0004","16.4936","0.0009","90","","102.262","0.005","90","","1519.75","0.13","293","2","293","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","Eburnamonine","","","- C19 H22 N2 O -","- C19 H22 N2 O -","- C76 H88 N8 O4 -","4","1","","Chong, Kam-Weng; Yeap, Joanne Soon-Yee; Lim, Siew-Huah; Weber, Jean-Frédéric F; Low, Yun-Yee; Kam, Toh-Seok","Biosynthetic Enantiodivergence in the Eburnane Alkaloids from Kopsia.","Journal of natural products","2017","80","11","3014","3024","10.1021/acs.jnatprod.7b00621","","","1.54184","CuKα","","0.054","0.0423","","","0.114","0.1263","","","","","","1.042","","","","has coordinates","203988","2020-10-21","18:00:00",""
"1547852","8.79926","0.00016","12.3307","0.0003","14.2867","0.0003","90","","90","","90","","1550.12","0.06","143.1","0.4","143.1","0.4","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","(+)-19-Hydroxyeburnamine","","","- C19 H24 N2 O2 -","- C19 H24 N2 O2 -","- C76 H96 N8 O8 -","4","1","","Chong, Kam-Weng; Yeap, Joanne Soon-Yee; Lim, Siew-Huah; Weber, Jean-Frédéric F; Low, Yun-Yee; Kam, Toh-Seok","Biosynthetic Enantiodivergence in the Eburnane Alkaloids from Kopsia.","Journal of natural products","2017","80","11","3014","3024","10.1021/acs.jnatprod.7b00621","","","1.54184","CuKα","","0.0279","0.0272","","","0.0705","0.0712","","","","","","1.067","","","","has coordinates","203988","2020-10-21","18:00:00",""
"1547853","9.0112","0.0003","9.8045","0.0005","10.2163","0.0004","89.964","0.003","78.459","0.003","76.61","0.004","859.33","0.06","145","1","145","1","","","","","","","","4","P 1","P 1","1","(-)-Eburnamine","","","- C19.5 H27 N2 O2 -","- C19.5 H27 N2 O2 -","- C39 H54 N4 O4 -","2","2","","Chong, Kam-Weng; Yeap, Joanne Soon-Yee; Lim, Siew-Huah; Weber, Jean-Frédéric F; Low, Yun-Yee; Kam, Toh-Seok","Biosynthetic Enantiodivergence in the Eburnane Alkaloids from Kopsia.","Journal of natural products","2017","80","11","3014","3024","10.1021/acs.jnatprod.7b00621","","","1.54184","CuKα","","0.033","0.0327","","","0.0887","0.0891","","","","","","1.045","","","","has coordinates","214153","2020-10-21","18:00:00",""
"1547854","12.7943","0.0004","8.5404","0.0002","17.244","0.0006","90","","108.984","0.004","90","","1781.74","0.1","157","2","157","2","","","","","","","","4","P 1 21 1","P 2yb","4","(-)-Leucophyllidine","","","- C42 H52 N4 O3 -","- C42 H52 N4 O3 -","- C84 H104 N8 O6 -","2","1","","Chong, Kam-Weng; Yeap, Joanne Soon-Yee; Lim, Siew-Huah; Weber, Jean-Frédéric F; Low, Yun-Yee; Kam, Toh-Seok","Biosynthetic Enantiodivergence in the Eburnane Alkaloids from Kopsia.","Journal of natural products","2017","80","11","3014","3024","10.1021/acs.jnatprod.7b00621","","","1.54184","CuKα","","0.0602","0.0485","","","0.1151","0.123","","","","","","1.017","","","","has coordinates","203988","2020-10-21","18:00:00",""
"1547855","12.53164","0.00019","12.8094","0.0002","19.2522","0.0003","90","","90","","90","","3090.42","0.08","144","1","144","1","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","(-)-19-Oxoeburnamonine","","","- C19 H20 N2 O2 -","- C19 H20 N2 O2 -","- C152 H160 N16 O16 -","8","2","","Chong, Kam-Weng; Yeap, Joanne Soon-Yee; Lim, Siew-Huah; Weber, Jean-Frédéric F; Low, Yun-Yee; Kam, Toh-Seok","Biosynthetic Enantiodivergence in the Eburnane Alkaloids from Kopsia.","Journal of natural products","2017","80","11","3014","3024","10.1021/acs.jnatprod.7b00621","","","1.54184","CuKα","","0.0321","0.0304","","","0.0745","0.076","","","","","","1.041","","","","has coordinates","203988","2020-10-21","18:00:00",""
"1547856","9.69345","0.0001","9.69345","0.0001","32.9728","0.0004","90","","90","","90","","3098.22","0.06","146","1","146","1","","","","","","","","4","P 41 21 2","P 4abw 2nw","92","(-)-19-Oxoisoeburnamine","","","- C19 H22 N2 O2 -","- C19 H22 N2 O2 -","- C152 H176 N16 O16 -","8","1","","Chong, Kam-Weng; Yeap, Joanne Soon-Yee; Lim, Siew-Huah; Weber, Jean-Frédéric F; Low, Yun-Yee; Kam, Toh-Seok","Biosynthetic Enantiodivergence in the Eburnane Alkaloids from Kopsia.","Journal of natural products","2017","80","11","3014","3024","10.1021/acs.jnatprod.7b00621","","","1.54184","CuKα","","0.0273","0.0268","","","0.0674","0.0676","","","","","","1.079","","","","has coordinates","203988","2020-10-21","18:00:00",""
"1547857","8.49956","0.00018","12.2136","0.0003","16.9889","0.0004","90","","90","","90","","1763.62","0.07","143.3","0.9","143.3","0.9","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","(-)-19-Hydroxy-O-ethylisoeburnamine","","","- C21 H28 N2 O2 -","- C21 H28 N2 O2 -","- C84 H112 N8 O8 -","4","1","","Chong, Kam-Weng; Yeap, Joanne Soon-Yee; Lim, Siew-Huah; Weber, Jean-Frédéric F; Low, Yun-Yee; Kam, Toh-Seok","Biosynthetic Enantiodivergence in the Eburnane Alkaloids from Kopsia.","Journal of natural products","2017","80","11","3014","3024","10.1021/acs.jnatprod.7b00621","","","1.54184","CuKα","","0.0335","0.0318","","","0.0784","0.0805","","","","","","1.068","","","","has coordinates","203988","2020-10-21","18:00:00",""
"1547858","8.65954","0.00013","7.95159","0.00011","11.56157","0.00018","90","","98.5016","0.0015","90","","787.35","0.02","143","1","143","1","","","","","","","","4","P 1 21 1","P 2yb","4","(-)-19-Hydroxyeburnamenine","","","- C19 H22 N2 O -","- C19 H22 N2 O -","- C38 H44 N4 O2 -","2","1","","Chong, Kam-Weng; Yeap, Joanne Soon-Yee; Lim, Siew-Huah; Weber, Jean-Frédéric F; Low, Yun-Yee; Kam, Toh-Seok","Biosynthetic Enantiodivergence in the Eburnane Alkaloids from Kopsia.","Journal of natural products","2017","80","11","3014","3024","10.1021/acs.jnatprod.7b00621","","","1.54184","CuKα","","0.0297","0.0294","","","0.0773","0.0777","","","","","","1.069","","","","has coordinates","203988","2020-10-21","18:00:00",""
"1547859","10.817","0.0004","11.6749","0.0005","16.4638","0.0006","97.305","0.002","96.365","0.002","108.875","0.002","1925.64","0.13","296","2","296","2","","","","","","","","5","P -1","-P 1","2","","","","- C23 H18 N2 O2 S -","- C23 H18 N2 O2 S -","- C92 H72 N8 O8 S4 -","4","2","","Modi, Anju; Sau, Prasenjit; Patel, Bhisma K.","Base-Promoted Synthesis of Quinoline-4(1H)-thiones from o-Alkynylanilines and Aroyl Isothiocyanates.","Organic letters","2017","19","22","6128","6131","10.1021/acs.orglett.7b02993","","","0.71073","MoKα","","0.1108","0.0511","","","0.1369","0.1783","","","","","","0.913","","","","has coordinates","204886","2020-10-21","18:00:00",""
"1547860","26.4511","0.0004","26.4511","0.0004","11.7055","0.0002","90","","90","","120","","7092.64","0.19","200","2","200","2","","","","","","","","5","P 65","P 65","170","","","","- C30.16 H25.33 Cl0.33 N O2 -","- C30.167 H25.334 Cl0.334 N O2 -","- C362.004 H304.008 Cl4.008 N12 O24 -","12","2","","Chaudhari, Prakash D.; Hong, Bor-Cherng; Lee, Gene-Hsiang","Organocatalytic Enantioselective Michael-Michael-Michael-Aldol Condensation Reactions: Control of Six Stereocenters in a Quadruple-Cascade Asymmetric Synthesis of Polysubstituted Spirocyclic Oxindoles.","Organic letters","2017","19","22","6112","6115","10.1021/acs.orglett.7b02962","","","1.54178","CuKα","","0.0329","0.0315","","","0.0897","0.0915","","","","","","0.971","","","","has coordinates,has disorder","217633","2020-10-21","18:00:00",""
"1547861","23.9252","0.0005","10.3277","0.0002","12.9767","0.0003","90","","98.8598","0.0007","90","","3168.18","0.12","200","2","200","2","","","","","","","","5","C 1 2 1","C 2y","5","","","","- C32 H28 Br2 N2 O4.5 -","- C32 H28 Br2 N2 O4.5 -","- C128 H112 Br8 N8 O18 -","4","1","","Chaudhari, Prakash D.; Hong, Bor-Cherng; Lee, Gene-Hsiang","Organocatalytic Enantioselective Michael-Michael-Michael-Aldol Condensation Reactions: Control of Six Stereocenters in a Quadruple-Cascade Asymmetric Synthesis of Polysubstituted Spirocyclic Oxindoles.","Organic letters","2017","19","22","6112","6115","10.1021/acs.orglett.7b02962","","","1.54178","CuKα","","0.0308","0.0305","","","0.0872","0.0876","","","","","","1.05","","","","has coordinates,has disorder","204887","2020-10-21","18:00:00",""
"1547862","9.6966","0.0003","10.8744","0.0003","15.2236","0.0004","84.4918","0.0007","86.8253","0.0008","73.5134","0.0007","1531.48","0.08","200","2","200","2","","","","","","","","6","P -1","-P 1","2","","","","- C31 H25 Br2 Cl3 N2 O4 -","- C31 H25 Br2 Cl3 N2 O4 -","- C62 H50 Br4 Cl6 N4 O8 -","2","1","","Chaudhari, Prakash D.; Hong, Bor-Cherng; Lee, Gene-Hsiang","Organocatalytic Enantioselective Michael-Michael-Michael-Aldol Condensation Reactions: Control of Six Stereocenters in a Quadruple-Cascade Asymmetric Synthesis of Polysubstituted Spirocyclic Oxindoles.","Organic letters","2017","19","22","6112","6115","10.1021/acs.orglett.7b02962","","","1.54178","CuKα","","0.0333","0.0326","","","0.0811","0.0817","","","","","","1.026","","","","has coordinates","204887","2020-10-21","18:00:00",""
"1547863","24.0915","0.0005","9.3008","0.0002","12.4495","0.0003","90","","99.6191","0.0006","90","","2750.34","0.11","200","2","200","2","","","","","","","","5","C 1 2 1","C 2y","5","","","","- C31.5 H27 F2 N2 O4.5 -","- C31.5 H27 F2 N2 O4.5 -","- C126 H108 F8 N8 O18 -","4","1","","Chaudhari, Prakash D.; Hong, Bor-Cherng; Lee, Gene-Hsiang","Organocatalytic Enantioselective Michael-Michael-Michael-Aldol Condensation Reactions: Control of Six Stereocenters in a Quadruple-Cascade Asymmetric Synthesis of Polysubstituted Spirocyclic Oxindoles.","Organic letters","2017","19","22","6112","6115","10.1021/acs.orglett.7b02962","","","1.54178","CuKα","","0.0294","0.0293","","","0.0769","0.0771","","","","","","1.038","","","","has coordinates,has disorder","204887","2020-10-21","18:00:00",""
"1547864","9.7977","0.0002","32.2237","0.0006","12.8805","0.0003","90","","110.07","0.003","90","","3819.66","0.16","100","2","100","2","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C43 H38 F3 Ir N4 O3 S -","- C43 H38 F3 Ir N4 O3 S -","- C172 H152 F12 Ir4 N16 O12 S4 -","4","1","","Islamova, Regina M. M; Dobrynin, Mikhail V.; Vlasov, Andrey V.; Eremina, Anzhelika A.; Kinzhalov, Mikhail A.; Kolesnikov, Ilya E.; Zolotarev, Andrei; Masloborodova, Eleonora A.; Luzyanin, Konstantin","Iridium(III)-catalysed cross-linking of polysiloxanes leading to the thermally resistant luminescent silicone rubbers","Catalysis Science & Technology","2017","","","","","10.1039/C7CY02013A","","","0.71073","MoKα","","0.0394","0.0328","","","0.0635","0.066","","","","","","1.125","","","","has coordinates","202505","2020-10-21","18:00:00",""
"1547865","16.7446","0.0004","8.57762","0.00018","21.5557","0.0005","90","","112.277","0.003","90","","2864.94","0.13","100.01","0.1","100.01","0.1","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C32 H27 Cl3 Ir N3 -","- C32 H27 Cl3 Ir N3 -","- C128 H108 Cl12 Ir4 N12 -","4","1","","Islamova, Regina M. M; Dobrynin, Mikhail V.; Vlasov, Andrey V.; Eremina, Anzhelika A.; Kinzhalov, Mikhail A.; Kolesnikov, Ilya E.; Zolotarev, Andrei; Masloborodova, Eleonora A.; Luzyanin, Konstantin","Iridium(III)-catalysed cross-linking of polysiloxanes leading to the thermally resistant luminescent silicone rubbers","Catalysis Science & Technology","2017","","","","","10.1039/C7CY02013A","","","1.5418","CuKα","","0.0484","0.0385","","","0.1049","0.1114","","","","","","1.096","","","","has coordinates","202505","2020-10-21","18:00:00",""
"1547866","17.0427","0.0006","8.6872","0.0003","21.3383","0.0006","90","","109.838","0.004","90","","2971.73","0.18","100","2","100","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C33 H29 Cl3 Ir N3 -","- C33 H29 Cl3 Ir N3 -","- C132 H116 Cl12 Ir4 N12 -","4","1","","Islamova, Regina M. M; Dobrynin, Mikhail V.; Vlasov, Andrey V.; Eremina, Anzhelika A.; Kinzhalov, Mikhail A.; Kolesnikov, Ilya E.; Zolotarev, Andrei; Masloborodova, Eleonora A.; Luzyanin, Konstantin","Iridium(III)-catalysed cross-linking of polysiloxanes leading to the thermally resistant luminescent silicone rubbers","Catalysis Science & Technology","2017","","","","","10.1039/C7CY02013A","","","1.54184","CuKα","","0.047","0.0334","","","0.0737","0.0839","","","","","","1.071","","","","has coordinates","202505","2020-10-21","18:00:00",""
"1547867","36.2342","0.0007","11.182","0.0002","5.5197","0.0001","90","","90","","90","","2236.42","0.07","","","","","","","","","","","","5","P b c a","-P 2ac 2ab","61","Ca(Mg0.631Fe0.369)B2O5","","kurchatovite","- B2 Ca Fe0.369 Mg0.631 O5 -","- B2 Ca Fe0.363333 Mg0.636667 O5 -","- B48 Ca24 Fe8.72 Mg15.28 O120 -","24","3","","Hayashi, A.; Momma, K.; Miyawaki, R.; Tanabe, M.; Kishi, S.; Kobayashi, S.; Kusachi, I.","Kurchatovite from the Fuka mine, Okayama Prefecture, Japan","Journal of Mineralogical and Petrological Sciences","2017","112","","159","165","","","","","","","","","","","","","","","","","","","","","","has coordinates","202519","2020-10-21","18:00:00",""
"1547868","9.036","0.002","5.18766","0.00012","21.6291","0.0005","90","","97.9987","0.0009","90","","1004","0.2","","","","","","","","","","","","4","C 1 2/c 1","-C 2yc","15","low-pressure CaAl0.4Si0.6O2.8 phase","","low-pressure CaAl0.4Si0.6O2.8 phase","- Al0.4 Ca O2.8 Si0.6 -","- Al0.4 Ca O2.8 Si0.6 -","- Al8 Ca20 O56 Si12 -","20","2.5","","Kanzaki, M.; Xue, X.; Wu, Y.; Nie, S.","Crystal structures of two oxygen-deficient perovskite phases in the CaSiO3-CaAlO2.5 join :low pressure CaAl0.4Si0.6O2.8 phase","Physics and Chemistry of Minerals","2017","44","","717","733","","","","","","","","","","","","","","","","","","","","","","has coordinates","202520","2020-10-21","18:00:00",""
"1547869","9.1372","0.0002","5.22418","0.00011","17.5119","0.0004","90","","100.011","0.0008","90","","823.19","0.03","","","","","","","","","","","","4","C 1 2 1","C 2y","5","low-pressure CaAl0.5Si0.5O2.75 phase model1","","low-pressure CaAl0.5Si0.5O2.75 phase model1","- Al0.5 Ca O2.75 Si0.5 -","- Al0.5 Ca O2.75 Si0.5 -","- Al8 Ca16 O44 Si8 -","16","4","","Kanzaki, M.; Xue, X.; Wu, Y.; Nie, S.","Crystal structures of two oxygen-deficient perovskite phases in the CaSiO3-CaAlO2.5 join :low pressure CaAl0.5Si0.5O2.75 phase model1","Physics and Chemistry of Minerals","2017","44","","717","733","","","","","","","","","","","","","","","","","","","","","","has coordinates","206911","2020-10-21","18:00:00",""
"1547870","18.8502","0.0005","9.25277","0.00017","20.4322","0.0005","90","","106.169","0.003","90","","3422.75","0.15","120.01","0.1","120.01","0.1","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","","","- C80 H104 O12 -","- C80 H104 O12 -","- C160 H208 O24 -","2","0.5","","Yang, Liu-Pan; Jia, Fei; Pan, Fangfang; Pan, Zhi-Sheng; Rissanen, Kari; Jiang, Wei","Effects of side chains of oxatub[4]arene on its conformational interconversion, molecular recognition and macroscopic self-assembly","Chemical Communications","2017","53","93","12572","12575","10.1039/C7CC07630D","","x-ray","0.71073","MoKα","","0.0756","0.047","","","0.0998","0.1123","","","","","","1.025","","","","has coordinates","282777","2023-04-20","11:56:51",""
"1547873","19.4293","0.0016","19.4293","0.0016","129.434","0.011","90","","90","","120","","42315","6","130","","130","","","","","","","","","5","R -3 c","-R 3 2""c","167","","","","- C192 H216 Au37.01 Cu S24 -","- C192 H216 Au37.004 Cu0.996 S24 -","- C1152 H1296 Au222.024 Cu5.976 S144 -","6","","","Chai, Jinsong; Lv, Ying; Yang, Sha; Song, Yongbo; Zan, Xiaofeng; Li, Qinzhen; Yu, Haizhu; Wu, Mingzai; Zhu, Manzhou","X-ray Crystal Structure and Optical Properties of Au38‒xCux(2,4-(CH3)2C6H3S)24 (x = 0‒6) Alloy Nanocluster","The Journal of Physical Chemistry C","2017","121","39","21665","","10.1021/acs.jpcc.7b05074","","","0.71073","MoKα","","0.0917","0.0527","","","0.1213","0.1395","","","","","","1.027","","","","has coordinates,has disorder","202633","2020-10-21","18:00:00",""
"1547874","14.3","0.0005","8.3251","0.0003","29.9248","0.001","90","","99.0075","0.0015","90","","3518.6","0.2","296","2","296","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C19 H18 N2 O2 S -","- C19 H18 N2 O2 S -","- C152 H144 N16 O16 S8 -","8","1","","Ramesh, Balu; Jeganmohan, Masilamani","Ruthenium-Catalyzed Remote C-H Sulfonylation of N-Aryl-2-aminopyridines with Aromatic Sulfonyl Chlorides.","Organic letters","2017","19","21","6000","6003","10.1021/acs.orglett.7b03051","","","0.71073","MoKα","","0.0728","0.0464","","","0.1029","0.1175","","","","","","1.031","","","","has coordinates","202637","2020-10-21","18:00:00",""
"1547875","14.8321","0.0007","8.4143","0.0003","29.8348","0.0012","90","","97.4759","0.0019","90","","3691.8","0.3","296","2","296","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C20 H20 N2 O2 S -","- C20 H20 N2 O2 S -","- C160 H160 N16 O16 S8 -","8","1","","Ramesh, Balu; Jeganmohan, Masilamani","Ruthenium-Catalyzed Remote C-H Sulfonylation of N-Aryl-2-aminopyridines with Aromatic Sulfonyl Chlorides.","Organic letters","2017","19","21","6000","6003","10.1021/acs.orglett.7b03051","","","0.71073","MoKα","","0.0854","0.0575","","","0.1485","0.1748","","","","","","1.023","","","","has coordinates","202638","2020-10-21","18:00:00",""
"1547876","8.006","0.014","12.99","0.02","14.7","0.02","90","","100.16","0.02","90","","1505","4","296","2","296","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C15 H14 N4 O4 -","- C15 H14 N4 O4 -","- C60 H56 N16 O16 -","4","1","","Mondal, Ramij R.; Khamarui, Saikat; Maiti, Dilip K.","Photocatalytic Generation of Nitrenes for Rapid Diaziridination.","Organic letters","2017","19","21","5964","5967","10.1021/acs.orglett.7b02844","","","0.71073","MoKα","","0.078","0.0506","","","0.1306","0.1549","","","","","","0.863","","","","has coordinates","202639","2020-10-21","18:00:00",""
"1547886","18.6841","0.0007","18.6841","0.0007","34.6796","0.0017","90","","90","","90","","12106.5","0.9","120.03","0.1","120.03","0.1","","","","","","","","6","P 4/m n c","-P 4 2n","128","MFM-188","","","- C92 H173 Cu4 N9 O49 S6 -","- C48 H30 Cu4 N4 O24 -","- C192 H120 Cu16 N16 O96 -","4","0.25","","Florian Moreau; Ivan da Silva; Nada H. Al Smail; Timothy L. Easun; Mathew Savage; Harry G. W. Godfrey; Stewart F. Parker; Pascal Manuel; Sihai Yang; Martin Schroder","Unravelling exceptional acetylene and carbon dioxide adsorption within a tetra-amide functionalized metal-organic framework","Nature Communications","2017","8","","14085","","10.1038/ncomms14085","","x-ray","1.54184","CuKα","","0.1305","0.0855","","","0.2263","0.2746","","","","","","0.915","","","","has coordinates","204128","2020-10-21","18:00:00",""
"1547887","18.7721","0.0004","18.7721","0.0004","34.7704","0.0014","90","","90","","90","","12252.8","0.6","10","","10","","","","","","","","","5","P 4/m n c","-P 4 2n","128","","","MFM-188_empty","- C24 H11 Cu2 N2 O10 -","- C24 H11 Cu2 N2 O10 -","- C192 H88 Cu16 N16 O80 -","8","0.5","","Florian Moreau; Ivan da Silva; Nada H. Al Smail; Timothy L. Easun; Mathew Savage; Harry G. W. Godfrey; Stewart F. Parker; Pascal Manuel; Sihai Yang; Martin Schroder","Unravelling exceptional acetylene and carbon dioxide adsorption within a tetra-amide functionalized metal-organic framework","Nature Communications","2017","8","","14085","","10.1038/ncomms14085","powder diffraction","","","neutron","","1.13032","","","","","","","","6.49093","","","","","","","has coordinates","202890","2020-10-21","18:00:00",""
"1547888","6.5268","0.0017","11.251","0.003","9.814","0.003","90","","105.271","0.007","90","","695.2","0.3","298","2","298","2","","","","","","","","4","C 1 c 1","C -2yc","9","Lanthanum borate chloride","","","- B4 Cl La O8 -","- B4 Cl La O8 -","- B16 Cl4 La4 O32 -","4","1","","Xuemiao Yin; Yaxing Wang; Xiaojing Bai; Yumin Wang; Lanhua Chen; Chengliang Xiao; Juan Diwu; Shiyu Du; Zhifang Chai; Thomas E. Albrecht-Schmitt; Shuao Wang","Rare earth separations by selective borate crystallization","Nature Communications","2017","8","","14438","","10.1038/ncomms14438","","","0.71073","MoKα","","0.0111","0.0111","","","0.0286","0.0286","","","","","","1.037","","","","has coordinates","202892","2020-10-21","18:00:00",""
"1547889","8.1867","0.0004","14.5421","0.0007","9.8317","0.0005","90","","90.281","0.002","90","","1170.47","0.1","298","2","298","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","Neodymium borate chloride","","","- B12 Cl2 Nd2 O29 -","- B12 Cl2 Nd2 O29 -","- B24 Cl4 Nd4 O58 -","2","0.5","","Xuemiao Yin; Yaxing Wang; Xiaojing Bai; Yumin Wang; Lanhua Chen; Chengliang Xiao; Juan Diwu; Shiyu Du; Zhifang Chai; Thomas E. Albrecht-Schmitt; Shuao Wang","Rare earth separations by selective borate crystallization","Nature Communications","2017","8","","14438","","10.1038/ncomms14438","","","0.71073","MoKα","","0.0393","0.0322","","","0.0685","0.0706","","","","","","1.148","","","","has coordinates","202893","2020-10-21","18:00:00",""
"1547890","8.7754","0.0017","27.454","0.005","6.8312","0.0012","90","","127.524","0.005","90","","1305.3","0.4","298","2","298","2","","","","","","","","3","C 1 2/m 1","-C 2y","12","Samarium borate","","","- B7 O17 Sm -","- B7 O17 Sm -","- B28 O68 Sm4 -","4","0.5","","Xuemiao Yin; Yaxing Wang; Xiaojing Bai; Yumin Wang; Lanhua Chen; Chengliang Xiao; Juan Diwu; Shiyu Du; Zhifang Chai; Thomas E. Albrecht-Schmitt; Shuao Wang","Rare earth separations by selective borate crystallization","Nature Communications","2017","8","","14438","","10.1038/ncomms14438","","","0.71073","MoKα","","0.0403","0.0318","","","0.07","0.0726","","","","","","1.089","","","","has coordinates","202894","2020-10-21","18:00:00",""
"1547891","6.8148","0.0008","7.1444","0.0009","12.7191","0.0015","96.093","0.003","98.513","0.003","101.75","0.003","593.64","0.12","298","2","298","2","","","","","","","","3","P -1","-P 1","2","Europium borate","","","- B7 Eu O16 -","- B7 Eu O16 -","- B14 Eu2 O32 -","2","1","","Xuemiao Yin; Yaxing Wang; Xiaojing Bai; Yumin Wang; Lanhua Chen; Chengliang Xiao; Juan Diwu; Shiyu Du; Zhifang Chai; Thomas E. Albrecht-Schmitt; Shuao Wang","Rare earth separations by selective borate crystallization","Nature Communications","2017","8","","14438","","10.1038/ncomms14438","","","0.71073","MoKα","","0.0241","0.0227","","","0.0595","0.0598","","","","","","1.174","","","","has coordinates","202895","2020-10-21","18:00:00",""
"1547892","17.0783","0.0004","17.0783","0.0004","20.3077","0.0011","90","","90","","120","","5129.6","0.3","298","2","298","2","","","","","","","","3","R -3 :H","-R 3","148","Lutecium borate","","","- B24 Lu4 O49 -","- B24 Lu4 O49 -","- B144 Lu24 O294 -","6","0.333333","","Xuemiao Yin; Yaxing Wang; Xiaojing Bai; Yumin Wang; Lanhua Chen; Chengliang Xiao; Juan Diwu; Shiyu Du; Zhifang Chai; Thomas E. Albrecht-Schmitt; Shuao Wang","Rare earth separations by selective borate crystallization","Nature Communications","2017","8","","14438","","10.1038/ncomms14438","","","0.71073","MoKα","","0.0573","0.0364","","","0.0573","0.061","","","","","","1.173","","","","has coordinates","202896","2020-10-21","18:00:00",""
"1547893","11.0081","0.001","11.0439","0.0011","20.174","0.002","81.37","0.006","78.531","0.005","80.367","0.006","2352.4","0.4","100","2","100","2","","","","","","","","4","P 1","P 1","1","","","","- C41 H72.5 N7 O13.25 -","- C41 H61 N7 O13.25 -","- C82 H122 N14 O26.5 -","2","2","","Sudipta Mondal; Maxim Varenik; Daniel Nir Bloch; Yoav Atsmon-Raz; Guy Jacoby; Lihi Adler-Abramovich; Linda J.W. Shimon; Roy Beck; Yifat Miller; Oren Regev; Ehud Gazit","A minimal length rigid helical peptide motif allows rational design of modular surfactants","Nature Communications","2017","8","","14018","","10.1038/ncomms14018","","","0.71073","MoKα","","0.0826","0.0556","","","0.1123","0.1266","","","","","","1.028","","","","has coordinates,has disorder","216710","2020-10-21","18:00:00",""
"1547894","28.535","0.004","28.535","0.004","39.508","0.008","90","","90","","90","","32169","9","298","2","298","2","","","","","","","","5","I 4/m","-I 4","87","","","","- C208 H168 Cu24 O144 S8 -","- C208 H144 Cu24 O144 S8 -","- C416 H288 Cu48 O288 S16 -","2","0.125","","Jiyoung Lee; Ja Hun Kwak; Wonyoung Choe","Evolution of form in metal–organic frameworks","Nature Communications","2017","8","","14070","","10.1038/ncomms14070","","","0.70001","synchrotron","","0.1089","0.0877","","","0.2814","0.3004","","","","","","1.045","","","","has coordinates","202898","2020-10-21","18:00:00",""
"1547895","39.878","0.005","39.878","0.005","39.878","0.005","90","","90","","90","","63416","14","293","2","293","2","","","","","","","","5","F m -3 m","-F 4 2 3","225","","","","- C228 H192 Cu24 N12 O132 -","- C228 H192 Cu24 N12 O132 -","- C912 H768 Cu96 N48 O528 -","4","0.0208333","","Jiyoung Lee; Ja Hun Kwak; Wonyoung Choe","Evolution of form in metal–organic frameworks","Nature Communications","2017","8","","14070","","10.1038/ncomms14070","","","0.71073","MoKα","","0.1709","0.1486","","","0.3738","0.3923","","","","","","1.258","","","","has coordinates","202899","2020-10-21","18:00:00",""
"1547896","39.954","0.005","39.954","0.005","39.954","0.005","90","","90","","90","","63779","14","296","2","296","2","","","","","","","","5","F m -3 m","-F 4 2 3","225","","","","- C228 H192 Cu24 N12 O132 -","- C228 H192 Cu24 N12 O132 -","- C912 H768 Cu96 N48 O528 -","4","0.0208333","","Jiyoung Lee; Ja Hun Kwak; Wonyoung Choe","Evolution of form in metal–organic frameworks","Nature Communications","2017","8","","14070","","10.1038/ncomms14070","","","0.71073","MoKα","","0.1203","0.0963","","","0.2864","0.3278","","","","","","1.273","","","","has coordinates","202900","2020-10-21","18:00:00",""
"1547897","24.817","0.005","8.7512","0.0015","39.949","0.007","90","","90","","90","","8676","3","100","2","100","2","","","","","","","","8","P n a 21","P 2c -2n","33","","","","- C20 H40 Cl2 F12 Mg2 N2 O16 S4 -","- C20 H40 Cl2 F12 Mg2 N2 O16 S4 -","- C160 H320 Cl16 F96 Mg16 N16 O128 S32 -","8","2","","Salama, Michael; Shterenberg, Ivgeni; J.W. Shimon, Linda; Keinan-Adamsky, Keren; Afri, Michal; Gofer, Yosef; Aurbach, Doron","Structural Analysis of Magnesium Chloride Complexes in Dimethoxyethane Solutions in the Context of Mg Batteries Research","The Journal of Physical Chemistry C","2017","121","45","24909","","10.1021/acs.jpcc.7b05452","","","0.71073","MoKα","","0.0475","0.0363","","","0.0703","0.074","","","","","","1.015","","","","has coordinates,has disorder","203992","2020-10-21","18:00:00",""
"1547898","12.3498","0.0008","16.4651","0.0011","35.607","0.002","80.016","0.003","81.571","0.003","85.031","0.003","7039.7","0.8","100","2","100","2","","","","","","","","6","P 1","P 1","1","","","","- C20 H50 Al2 Cl12 Mg3 O10 -","- C20 H50 Al2 Cl12 Mg3 O10 -","- C120 H300 Al12 Cl72 Mg18 O60 -","6","6","","Salama, Michael; Shterenberg, Ivgeni; J.W. Shimon, Linda; Keinan-Adamsky, Keren; Afri, Michal; Gofer, Yosef; Aurbach, Doron","Structural Analysis of Magnesium Chloride Complexes in Dimethoxyethane Solutions in the Context of Mg Batteries Research","The Journal of Physical Chemistry C","2017","121","45","24909","","10.1021/acs.jpcc.7b05452","","","0.71073","MoKα","","0.1419","0.1387","","","0.3562","0.3586","","","","","","1.049","","","","has coordinates,has disorder","203992","2020-10-21","18:00:00",""
"1547899","26.523","0.003","7.284","0.0007","19.1745","0.0019","90","","90","","90","","3704.4","0.7","100","2","100","2","","","","","","","","6","P c a 21","P 2c -2ac","29","","","","- C16 H40 Al2 Cl10 Mg2 O8 -","- C16 H40 Al2 Cl10 Mg2 O8 -","- C64 H160 Al8 Cl40 Mg8 O32 -","4","1","","Salama, Michael; Shterenberg, Ivgeni; J.W. Shimon, Linda; Keinan-Adamsky, Keren; Afri, Michal; Gofer, Yosef; Aurbach, Doron","Structural Analysis of Magnesium Chloride Complexes in Dimethoxyethane Solutions in the Context of Mg Batteries Research","The Journal of Physical Chemistry C","2017","121","45","24909","","10.1021/acs.jpcc.7b05452","","","0.71073","MoKα","","0.0241","0.021","","","0.0391","0.0417","","","","","","1.016","","","","has coordinates","203992","2020-10-21","18:00:00",""
"1547900","7.3174","0.0004","7.3446","0.0004","14.081","0.0007","83.146","0.002","85.655","0.002","62.313","0.002","665.14","0.06","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","","","- C8 H20 Cl2 Mg O4 -","- C8 H20 Cl2 Mg O4 -","- C16 H40 Cl4 Mg2 O8 -","2","1","","Salama, Michael; Shterenberg, Ivgeni; J.W. Shimon, Linda; Keinan-Adamsky, Keren; Afri, Michal; Gofer, Yosef; Aurbach, Doron","Structural Analysis of Magnesium Chloride Complexes in Dimethoxyethane Solutions in the Context of Mg Batteries Research","The Journal of Physical Chemistry C","2017","121","45","24909","","10.1021/acs.jpcc.7b05452","","","0.71073","MoKα","","0.0273","0.0228","","","0.0545","0.0568","","","","","","1.034","","","","has coordinates","203992","2020-10-21","18:00:00",""
"1547901","23.2385","0.0007","13.4472","0.0005","16.6436","0.0005","90","","100.815","0.002","90","","5108.6","0.3","100","2","100","2","","","","","","","","8","C 1 2/c 1","-C 2yc","15","","","","- C24 H50 Cl4 F12 Mg3 N2 O18 S4 -","- C24 H50 Cl4 F12 Mg3 N2 O18 S4 -","- C96 H200 Cl16 F48 Mg12 N8 O72 S16 -","4","0.5","","Salama, Michael; Shterenberg, Ivgeni; J.W. Shimon, Linda; Keinan-Adamsky, Keren; Afri, Michal; Gofer, Yosef; Aurbach, Doron","Structural Analysis of Magnesium Chloride Complexes in Dimethoxyethane Solutions in the Context of Mg Batteries Research","The Journal of Physical Chemistry C","2017","121","45","24909","","10.1021/acs.jpcc.7b05452","","","0.71073","MoKα","","0.0713","0.0493","","","0.1179","0.1316","","","","","","1.029","","","","has coordinates","203992","2020-10-21","18:00:00",""
"1547902","5.975","0.002","9.973","0.005","16.775","0.007","89.621","0.014","81.3","0.01","76.862","0.011","961.8","0.7","90","2","90","2","","","","","","","","4","P -1","-P 1","2","","","","- C46 H48 O2 P2 -","- C46 H48 O2 P2 -","- C46 H48 O2 P2 -","1","0.5","","Rawe, Benjamin W.; Scott, Michael R.; Brown, Christopher M.; MacKenzie, Harvey K.; Gates, Derek P.","Poly(p-phenylenediethynylene phosphine)s and Related π-Conjugated Phosphine‒Diyne Polymers: Synthesis, Characterization and Photophysical Properties","Macromolecules","2017","50","22","8916","","10.1021/acs.macromol.7b01933","","x-ray","0.71073","MoKα","","0.0705","0.0466","","","0.101","0.1113","","","","","","1.064","","","","has coordinates","203993","2020-10-21","18:00:00",""
"1547903","19.497","0.003","7.603","0.0012","11.664","0.002","90","","90","","90","","1729","0.5","100","2","100","2","","","","","","","","4","P c a 21","P 2c -2ac","29","","","","- C22 H15 O P -","- C22 H15 O P -","- C88 H60 O4 P4 -","4","1","","Rawe, Benjamin W.; Scott, Michael R.; Brown, Christopher M.; MacKenzie, Harvey K.; Gates, Derek P.","Poly(p-phenylenediethynylene phosphine)s and Related π-Conjugated Phosphine‒Diyne Polymers: Synthesis, Characterization and Photophysical Properties","Macromolecules","2017","50","22","8916","","10.1021/acs.macromol.7b01933","","","0.71073","MoKα","","0.0616","0.0465","","","0.0982","0.1073","","","","","","1.02","","","","has coordinates","203993","2020-10-21","18:00:00",""
"1547904","13.2917","0.0018","7.5342","0.001","19.659","0.003","90","","90","","90","","1968.7","0.5","100","","100","","","","","","","","","4","P n a 21","P 2c -2n","33","","","","- C26 H15 O P -","- C26 H15 O P -","- C104 H60 O4 P4 -","4","1","","Rawe, Benjamin W.; Scott, Michael R.; Brown, Christopher M.; MacKenzie, Harvey K.; Gates, Derek P.","Poly(p-phenylenediethynylene phosphine)s and Related π-Conjugated Phosphine–Diyne Polymers: Synthesis, Characterization and Photophysical Properties","Macromolecules","2017","50","22","8916","","10.1021/acs.macromol.7b01933","","x-ray","0.71073","MoKα","","0.0423","0.0386","","","0.1025","0.1054","","","","","","1.0391","","","","has coordinates","278046","2022-09-21","15:45:40",""
"1547905","9.8378","0.0011","10.0606","0.001","14.0335","0.0012","70.001","0.009","80.759","0.008","83.195","0.009","1285.2","0.2","180","0.1","180","0.1","","","","","","","","4","P -1","-P 1","2","","","","- C29 H33 Br O4 -","- C29 H33 Br O4 -","- C58 H66 Br2 O8 -","2","1","","Yang, Jun; Xu, Wenbo; Cui, Qi; Fan, Xing; Wang, Lu-Ning; Yu, Zhi-Xiang","Asymmetric Total Synthesis of (-)-Clovan-2,9-dione Using Rh(I)-Catalyzed [3 + 2 + 1] Cycloaddition of 1-Yne-vinylcyclopropane and CO.","Organic letters","2017","19","22","6040","6043","10.1021/acs.orglett.7b02656","","","0.71073","MoKα","","0.1742","0.0841","","","0.1968","0.2466","","","","","","1.036","","","","has coordinates","204892","2020-10-21","18:00:00",""
"1547906","11.9476","0.0005","5.9856","0.0003","12.3311","0.0005","90","","93.344","0.002","90","","880.34","0.07","100","2","100","2","","","","","","","","3","P 1 21 1","P 2yb","4","60473-56","gene577","","- C23 H24 O2 -","- C23 H24 O2 -","- C46 H48 O4 -","2","1","","Lim, Ngiap-Kie; Weiss, Patrick; Li, Beryl X.; McCulley, Christina H.; Hare, Stephanie R.; Bensema, Bronwyn L.; Palazzo, Teresa A.; Tantillo, Dean J.; Zhang, Haiming; Gosselin, Francis","Synthesis of Highly Stereodefined Tetrasubstituted Acyclic All-Carbon Olefins via a Syn-Elimination Approach.","Organic letters","2017","19","22","6212","6215","10.1021/acs.orglett.7b03141","","","1.54178","CuKα","","0.0271","0.0265","","","0.0678","0.0683","","","","","","1.056","","","","has coordinates","204891","2020-10-21","18:00:00",""
"1547907","10.6429","0.0012","17.14","0.002","19.551","0.002","90","","90","","90","","3566.5","0.7","100","2","100","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","68869-190","gene913","","- C22 H16 Cl F3 -","- C22 H16 Cl F3 -","- C176 H128 Cl8 F24 -","8","1","","Lim, Ngiap-Kie; Weiss, Patrick; Li, Beryl X.; McCulley, Christina H.; Hare, Stephanie R.; Bensema, Bronwyn L.; Palazzo, Teresa A.; Tantillo, Dean J.; Zhang, Haiming; Gosselin, Francis","Synthesis of Highly Stereodefined Tetrasubstituted Acyclic All-Carbon Olefins via a Syn-Elimination Approach.","Organic letters","2017","19","22","6212","6215","10.1021/acs.orglett.7b03141","","","0.71073","MoKα","","0.0636","0.0423","","","0.0934","0.1049","","","","","","1.038","","","","has coordinates","204891","2020-10-21","18:00:00",""
"1547908","5.973","0.0005","15.888","0.0014","18.3194","0.0016","90","","90","","90","","1738.5","0.3","100","2","100","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","60473-99","gene637","","- C22 H20 Cl F O -","- C22 H20 Cl F O -","- C88 H80 Cl4 F4 O4 -","4","1","","Lim, Ngiap-Kie; Weiss, Patrick; Li, Beryl X.; McCulley, Christina H.; Hare, Stephanie R.; Bensema, Bronwyn L.; Palazzo, Teresa A.; Tantillo, Dean J.; Zhang, Haiming; Gosselin, Francis","Synthesis of Highly Stereodefined Tetrasubstituted Acyclic All-Carbon Olefins via a Syn-Elimination Approach.","Organic letters","2017","19","22","6212","6215","10.1021/acs.orglett.7b03141","","","0.71073","MoKα","","0.0376","0.0341","","","0.0801","0.0825","","","","","","1.045","","","","has coordinates","204891","2020-10-21","18:00:00",""
"1547909","8.6347","0.0005","10.9298","0.0007","16.4312","0.001","90","","93.191","0.001","90","","1548.3","0.16","100","2","100","2","","","","","","","","3","P 1 21/n 1","-P 2yn","14","68869-158-7","gene832","","- C21 H19 N -","- C21 H19 N -","- C84 H76 N4 -","4","1","","Lim, Ngiap-Kie; Weiss, Patrick; Li, Beryl X.; McCulley, Christina H.; Hare, Stephanie R.; Bensema, Bronwyn L.; Palazzo, Teresa A.; Tantillo, Dean J.; Zhang, Haiming; Gosselin, Francis","Synthesis of Highly Stereodefined Tetrasubstituted Acyclic All-Carbon Olefins via a Syn-Elimination Approach.","Organic letters","2017","19","22","6212","6215","10.1021/acs.orglett.7b03141","","","0.71073","MoKα","","0.0559","0.0401","","","0.0903","0.0999","","","","","","1.061","","","","has coordinates","204891","2020-10-21","18:00:00",""
"1547910","9.7435","0.0006","20.96","0.0013","9.8864","0.0006","90","","113.368","0.001","90","","1853.4","0.2","100","2","100","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","68866-152-6","gene823","","- C23 H21 Cl -","- C23 H21 Cl -","- C92 H84 Cl4 -","4","1","","Lim, Ngiap-Kie; Weiss, Patrick; Li, Beryl X.; McCulley, Christina H.; Hare, Stephanie R.; Bensema, Bronwyn L.; Palazzo, Teresa A.; Tantillo, Dean J.; Zhang, Haiming; Gosselin, Francis","Synthesis of Highly Stereodefined Tetrasubstituted Acyclic All-Carbon Olefins via a Syn-Elimination Approach.","Organic letters","2017","19","22","6212","6215","10.1021/acs.orglett.7b03141","","","0.71073","MoKα","","0.079","0.0597","","","0.1489","0.1654","","","","","","1.051","","","","has coordinates","204891","2020-10-21","18:00:00",""
"1547911","5.7244","0.0003","14.8287","0.0007","21.3598","0.0011","90","","97.293","0.002","90","","1798.47","0.16","100","2","100","2","","","","","","","","3","P 1 21 1","P 2yb","4","68869-124-27","gene685","","- C22 H19 I -","- C22 H19 I -","- C88 H76 I4 -","4","2","","Lim, Ngiap-Kie; Weiss, Patrick; Li, Beryl X.; McCulley, Christina H.; Hare, Stephanie R.; Bensema, Bronwyn L.; Palazzo, Teresa A.; Tantillo, Dean J.; Zhang, Haiming; Gosselin, Francis","Synthesis of Highly Stereodefined Tetrasubstituted Acyclic All-Carbon Olefins via a Syn-Elimination Approach.","Organic letters","2017","19","22","6212","6215","10.1021/acs.orglett.7b03141","","","1.54178","CuKα","","0.0448","0.0439","","","0.1438","0.1464","","","","","","1.116","","","","has coordinates","204891","2020-10-21","18:00:00",""
"1547912","6.4515","0.0003","17.1888","0.0008","18.0877","0.0008","68.737","0.001","87.418","0.001","89.422","0.001","1867.33","0.15","100","2","100","2","","","","","","","","4","P -1","-P 1","2","71452-7","gene726","","- C23 H23 Cl O -","- C23 H23 Cl O -","- C92 H92 Cl4 O4 -","4","2","","Lim, Ngiap-Kie; Weiss, Patrick; Li, Beryl X.; McCulley, Christina H.; Hare, Stephanie R.; Bensema, Bronwyn L.; Palazzo, Teresa A.; Tantillo, Dean J.; Zhang, Haiming; Gosselin, Francis","Synthesis of Highly Stereodefined Tetrasubstituted Acyclic All-Carbon Olefins via a Syn-Elimination Approach.","Organic letters","2017","19","22","6212","6215","10.1021/acs.orglett.7b03141","","","0.71073","MoKα","","0.0625","0.0478","","","0.1131","0.1243","","","","","","1.052","","","","has coordinates","204891","2020-10-21","18:00:00",""
"1547913","6.1271","0.0003","16.148","0.0008","18.8563","0.0009","90.872","0.002","97.1","0.002","98.775","0.002","1828.57","0.15","100","2","100","2","","","","","","","","4","P -1","-P 1","2","68869-141","gene837","","- C22 H25 N O2 -","- C22 H25 N O2 -","- C88 H100 N4 O8 -","4","2","","Lim, Ngiap-Kie; Weiss, Patrick; Li, Beryl X.; McCulley, Christina H.; Hare, Stephanie R.; Bensema, Bronwyn L.; Palazzo, Teresa A.; Tantillo, Dean J.; Zhang, Haiming; Gosselin, Francis","Synthesis of Highly Stereodefined Tetrasubstituted Acyclic All-Carbon Olefins via a Syn-Elimination Approach.","Organic letters","2017","19","22","6212","6215","10.1021/acs.orglett.7b03141","","","1.54178","CuKα","","0.0347","0.0332","","","0.0804","0.0818","","","","","","1.031","","","","has coordinates","204891","2020-10-21","18:00:00",""
"1547914","11.7165","0.0004","6.0572","0.0002","24.9509","0.001","90","","94.48","0.002","90","","1765.33","0.11","100","2","100","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","60473-80","gene671","","- C22 H21 Cl O -","- C22 H21 Cl O -","- C88 H84 Cl4 O4 -","4","1","","Lim, Ngiap-Kie; Weiss, Patrick; Li, Beryl X.; McCulley, Christina H.; Hare, Stephanie R.; Bensema, Bronwyn L.; Palazzo, Teresa A.; Tantillo, Dean J.; Zhang, Haiming; Gosselin, Francis","Synthesis of Highly Stereodefined Tetrasubstituted Acyclic All-Carbon Olefins via a Syn-Elimination Approach.","Organic letters","2017","19","22","6212","6215","10.1021/acs.orglett.7b03141","","","1.54178","CuKα","","0.0827","0.0669","","","0.1605","0.1715","","","","","","1.035","","","","has coordinates","204891","2020-10-21","18:00:00",""
"1547915","5.9827","0.0002","25.0699","0.0007","11.6168","0.0003","90","","90.887","0.002","90","","1742.14","0.09","100","2","100","2","","","","","","","","3","P 1 21 1","P 2yb","4","60473-81","gene578","","- C23 H24 O -","- C23 H24 O -","- C92 H96 O4 -","4","2","","Lim, Ngiap-Kie; Weiss, Patrick; Li, Beryl X.; McCulley, Christina H.; Hare, Stephanie R.; Bensema, Bronwyn L.; Palazzo, Teresa A.; Tantillo, Dean J.; Zhang, Haiming; Gosselin, Francis","Synthesis of Highly Stereodefined Tetrasubstituted Acyclic All-Carbon Olefins via a Syn-Elimination Approach.","Organic letters","2017","19","22","6212","6215","10.1021/acs.orglett.7b03141","","","1.54178","CuKα","","0.0377","0.0337","","","0.0772","0.0794","","","","","","1.043","","","","has coordinates","204891","2020-10-21","18:00:00",""
"1547916","18.5748","0.0011","6.4645","0.0004","15.9299","0.0009","90","","107.348","0.002","90","","1825.8","0.19","100","2","100","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","68869-139","gene728","","- C23 H23 Cl O -","- C23 H23 Cl O -","- C92 H92 Cl4 O4 -","4","1","","Lim, Ngiap-Kie; Weiss, Patrick; Li, Beryl X.; McCulley, Christina H.; Hare, Stephanie R.; Bensema, Bronwyn L.; Palazzo, Teresa A.; Tantillo, Dean J.; Zhang, Haiming; Gosselin, Francis","Synthesis of Highly Stereodefined Tetrasubstituted Acyclic All-Carbon Olefins via a Syn-Elimination Approach.","Organic letters","2017","19","22","6212","6215","10.1021/acs.orglett.7b03141","","","0.71073","MoKα","","0.0351","0.0322","","","0.079","0.0811","","","","","","1.028","","","","has coordinates","204891","2020-10-21","18:00:00",""
"1547917","12.1357","0.0004","6.0494","0.0002","25.0871","0.001","90","","96.515","0.001","90","","1829.84","0.11","100","2","100","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","60473-74","gene626","","- C22 H21 I O -","- C22 H21 I O -","- C88 H84 I4 O4 -","4","1","","Lim, Ngiap-Kie; Weiss, Patrick; Li, Beryl X.; McCulley, Christina H.; Hare, Stephanie R.; Bensema, Bronwyn L.; Palazzo, Teresa A.; Tantillo, Dean J.; Zhang, Haiming; Gosselin, Francis","Synthesis of Highly Stereodefined Tetrasubstituted Acyclic All-Carbon Olefins via a Syn-Elimination Approach.","Organic letters","2017","19","22","6212","6215","10.1021/acs.orglett.7b03141","","","0.71073","MoKα","","0.0327","0.0298","","","0.0637","0.0649","","","","","","1.101","","","","has coordinates","204891","2020-10-21","18:00:00",""
"1547918","8.9407","0.0003","9.6685","0.0004","10.3518","0.0004","113.062","0.002","90.552","0.002","92.535","0.002","822.17","0.06","100","2","100","2","","","","","","","","3","P -1","-P 1","2","68869-149-8","gene839","","- C22 H19 F -","- C22 H19 F -","- C44 H38 F2 -","2","1","","Lim, Ngiap-Kie; Weiss, Patrick; Li, Beryl X.; McCulley, Christina H.; Hare, Stephanie R.; Bensema, Bronwyn L.; Palazzo, Teresa A.; Tantillo, Dean J.; Zhang, Haiming; Gosselin, Francis","Synthesis of Highly Stereodefined Tetrasubstituted Acyclic All-Carbon Olefins via a Syn-Elimination Approach.","Organic letters","2017","19","22","6212","6215","10.1021/acs.orglett.7b03141","","","1.54178","CuKα","","0.0383","0.0365","","","0.091","0.0927","","","","","","1.054","","","","has coordinates","204891","2020-10-21","18:00:00",""
"1547919","17.524","0.0011","5.9716","0.0003","16.6106","0.001","90","","94.777","0.004","90","","1732.2","0.17","100","2","100","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","60473-25","gene583","","- C23 H24 O -","- C23 H24 O -","- C92 H96 O4 -","4","1","","Lim, Ngiap-Kie; Weiss, Patrick; Li, Beryl X.; McCulley, Christina H.; Hare, Stephanie R.; Bensema, Bronwyn L.; Palazzo, Teresa A.; Tantillo, Dean J.; Zhang, Haiming; Gosselin, Francis","Synthesis of Highly Stereodefined Tetrasubstituted Acyclic All-Carbon Olefins via a Syn-Elimination Approach.","Organic letters","2017","19","22","6212","6215","10.1021/acs.orglett.7b03141","","","1.54178","CuKα","","0.0391","0.035","","","0.0899","0.0935","","","","","","1.032","","","","has coordinates","204891","2020-10-21","18:00:00",""
"1547920","8.5228","0.0003","12.1509","0.0004","17.005","0.0006","72.107","0.001","89.784","0.001","82.281","0.001","1659.36","0.1","100","2","100","2","","","","","","","","4","P -1","-P 1","2","68869-182","gene945","","- C20 H17 Cl S -","- C20 H17 Cl S -","- C80 H68 Cl4 S4 -","4","2","","Lim, Ngiap-Kie; Weiss, Patrick; Li, Beryl X.; McCulley, Christina H.; Hare, Stephanie R.; Bensema, Bronwyn L.; Palazzo, Teresa A.; Tantillo, Dean J.; Zhang, Haiming; Gosselin, Francis","Synthesis of Highly Stereodefined Tetrasubstituted Acyclic All-Carbon Olefins via a Syn-Elimination Approach.","Organic letters","2017","19","22","6212","6215","10.1021/acs.orglett.7b03141","","","1.54178","CuKα","","0.0422","0.0404","","","0.1099","0.1117","","","","","","1.045","","","","has coordinates","204891","2020-10-21","18:00:00",""
"1547921","18.524","0.002","5.7934","0.0007","16.9793","0.0019","90","","105.284","0.003","90","","1757.7","0.3","100","2","100","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","60473-38","gene602","","- C23 H24 O2 -","- C23 H24 O2 -","- C92 H96 O8 -","4","1","","Lim, Ngiap-Kie; Weiss, Patrick; Li, Beryl X.; McCulley, Christina H.; Hare, Stephanie R.; Bensema, Bronwyn L.; Palazzo, Teresa A.; Tantillo, Dean J.; Zhang, Haiming; Gosselin, Francis","Synthesis of Highly Stereodefined Tetrasubstituted Acyclic All-Carbon Olefins via a Syn-Elimination Approach.","Organic letters","2017","19","22","6212","6215","10.1021/acs.orglett.7b03141","","","0.71073","MoKα","","0.0687","0.0493","","","0.123","0.1433","","","","","","1.054","","","","has coordinates","204891","2020-10-21","18:00:00",""
"1547922","10.1038","0.0007","8.9144","0.0007","18.5125","0.0012","90","","95.222","0.005","90","","1660.5","0.2","100","2","100","2","","","","","","","","3","P 1 21/n 1","-P 2yn","14","68869-153-4","gene824","","- C22 H19 F -","- C22 H19 F -","- C88 H76 F4 -","4","1","","Lim, Ngiap-Kie; Weiss, Patrick; Li, Beryl X.; McCulley, Christina H.; Hare, Stephanie R.; Bensema, Bronwyn L.; Palazzo, Teresa A.; Tantillo, Dean J.; Zhang, Haiming; Gosselin, Francis","Synthesis of Highly Stereodefined Tetrasubstituted Acyclic All-Carbon Olefins via a Syn-Elimination Approach.","Organic letters","2017","19","22","6212","6215","10.1021/acs.orglett.7b03141","","","0.71073","MoKα","","0.1353","0.0836","","","0.1612","0.1766","","","","","","1.092","","","","has coordinates","204891","2020-10-21","18:00:00",""
"1547923","9.5851","0.0003","9.9859","0.0003","10.2722","0.0003","78.476","0.002","66.039","0.002","75.513","0.002","864.54","0.05","100","2","100","2","","","","","","","","3","P -1","-P 1","2","60473-41","gene636","","- C23 H22 O -","- C23 H22 O -","- C46 H44 O2 -","2","1","","Lim, Ngiap-Kie; Weiss, Patrick; Li, Beryl X.; McCulley, Christina H.; Hare, Stephanie R.; Bensema, Bronwyn L.; Palazzo, Teresa A.; Tantillo, Dean J.; Zhang, Haiming; Gosselin, Francis","Synthesis of Highly Stereodefined Tetrasubstituted Acyclic All-Carbon Olefins via a Syn-Elimination Approach.","Organic letters","2017","19","22","6212","6215","10.1021/acs.orglett.7b03141","","","0.71073","MoKα","","0.0614","0.0457","","","0.1163","0.1263","","","","","","1.031","","","","has coordinates","204891","2020-10-21","18:00:00",""
"1547924","13.5127","0.0008","9.4159","0.0006","25.6168","0.0017","90","","90","","90","","3259.3","0.4","100","2","100","2","","","","","","","","3","P n a 21","P 2c -2n","33","68869-192","gene948","","- C21 H19 N -","- C21 H19 N -","- C168 H152 N8 -","8","2","","Lim, Ngiap-Kie; Weiss, Patrick; Li, Beryl X.; McCulley, Christina H.; Hare, Stephanie R.; Bensema, Bronwyn L.; Palazzo, Teresa A.; Tantillo, Dean J.; Zhang, Haiming; Gosselin, Francis","Synthesis of Highly Stereodefined Tetrasubstituted Acyclic All-Carbon Olefins via a Syn-Elimination Approach.","Organic letters","2017","19","22","6212","6215","10.1021/acs.orglett.7b03141","","","1.54178","CuKα","","0.052","0.0483","","","0.1322","0.1363","","","","","","1.057","","","","has coordinates","204891","2020-10-21","18:00:00",""
"1547925","6.1157","0.0005","7.6877","0.0007","35.725","0.003","88.193","0.009","85.251","0.006","82.371","0.005","1658.7","0.2","100","2","100","2","","","","","","","","4","P 1","P 1","1","60473-70","gene596","","- C21 H21 N O -","- C21 H21 N O -","- C84 H84 N4 O4 -","4","4","","Lim, Ngiap-Kie; Weiss, Patrick; Li, Beryl X.; McCulley, Christina H.; Hare, Stephanie R.; Bensema, Bronwyn L.; Palazzo, Teresa A.; Tantillo, Dean J.; Zhang, Haiming; Gosselin, Francis","Synthesis of Highly Stereodefined Tetrasubstituted Acyclic All-Carbon Olefins via a Syn-Elimination Approach.","Organic letters","2017","19","22","6212","6215","10.1021/acs.orglett.7b03141","","","0.71073","MoKα","","0.2116","0.1609","","","0.3742","0.4076","","","","","","1.08","","","","has coordinates","204891","2020-10-21","18:00:00",""
"1547926","17.0051","0.001","7.463","0.0005","18.2727","0.0011","90","","97.403","0.001","90","","2299.6","0.2","100","2","100","2","","","","","","","","3","P 1 21/n 1","-P 2yn","14","68869-142","gene727","","- C27 H30 O3 -","- C27 H30 O3 -","- C108 H120 O12 -","4","1","","Lim, Ngiap-Kie; Weiss, Patrick; Li, Beryl X.; McCulley, Christina H.; Hare, Stephanie R.; Bensema, Bronwyn L.; Palazzo, Teresa A.; Tantillo, Dean J.; Zhang, Haiming; Gosselin, Francis","Synthesis of Highly Stereodefined Tetrasubstituted Acyclic All-Carbon Olefins via a Syn-Elimination Approach.","Organic letters","2017","19","22","6212","6215","10.1021/acs.orglett.7b03141","","","0.71073","MoKα","","0.0554","0.0434","","","0.1051","0.1134","","","","","","1.056","","","","has coordinates","204891","2020-10-21","18:00:00",""
"1547927","9.5964","0.0019","9.794","0.002","10.906","0.002","99.828","0.004","94.064","0.003","118.202","0.003","876.4","0.3","100","2","100","2","","","","","","","","3","P -1","-P 1","2","68869-161-5","gene914","","- C23 H21 Cl -","- C23 H21 Cl -","- C46 H42 Cl2 -","2","1","","Lim, Ngiap-Kie; Weiss, Patrick; Li, Beryl X.; McCulley, Christina H.; Hare, Stephanie R.; Bensema, Bronwyn L.; Palazzo, Teresa A.; Tantillo, Dean J.; Zhang, Haiming; Gosselin, Francis","Synthesis of Highly Stereodefined Tetrasubstituted Acyclic All-Carbon Olefins via a Syn-Elimination Approach.","Organic letters","2017","19","22","6212","6215","10.1021/acs.orglett.7b03141","","","0.71073","MoKα","","0.0941","0.0557","","","0.1121","0.1302","","","","","","1.023","","","","has coordinates","204891","2020-10-21","18:00:00",""
"1547928","5.7206","0.0003","16.0457","0.001","18.9021","0.0012","90","","91.033","0.004","90","","1734.76","0.18","100","2","100","2","","","","","","","","2","P 1 21/c 1","-P 2ybc","14","68869-150","gene833","","- C23 H22 -","- C23 H22 -","- C92 H88 -","4","1","","Lim, Ngiap-Kie; Weiss, Patrick; Li, Beryl X.; McCulley, Christina H.; Hare, Stephanie R.; Bensema, Bronwyn L.; Palazzo, Teresa A.; Tantillo, Dean J.; Zhang, Haiming; Gosselin, Francis","Synthesis of Highly Stereodefined Tetrasubstituted Acyclic All-Carbon Olefins via a Syn-Elimination Approach.","Organic letters","2017","19","22","6212","6215","10.1021/acs.orglett.7b03141","","","0.71073","MoKα","","0.0856","0.0595","","","0.1332","0.1427","","","","","","1.105","","","","has coordinates","204891","2020-10-21","18:00:00",""
"1547929","10.7335","0.0005","14.9683","0.0007","20.7298","0.001","90","","103.232","0.001","90","","3242.1","0.3","100","2","100","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","68869-158-8","gene831","","- C37 H38 N O4 P -","- C37 H38 N O4 P -","- C148 H152 N4 O16 P4 -","4","1","","Lim, Ngiap-Kie; Weiss, Patrick; Li, Beryl X.; McCulley, Christina H.; Hare, Stephanie R.; Bensema, Bronwyn L.; Palazzo, Teresa A.; Tantillo, Dean J.; Zhang, Haiming; Gosselin, Francis","Synthesis of Highly Stereodefined Tetrasubstituted Acyclic All-Carbon Olefins via a Syn-Elimination Approach.","Organic letters","2017","19","22","6212","6215","10.1021/acs.orglett.7b03141","","","0.71073","MoKα","","0.0733","0.0484","","","0.1125","0.1279","","","","","","1.043","","","","has coordinates","204891","2020-10-21","18:00:00",""
"1547930","5.4926","0.0002","9.9685","0.0004","18.0281","0.0006","80.689","0.002","89.091","0.002","74.881","0.002","940.01","0.06","100","2","100","2","","","","","","","","4","P -1","-P 1","2","68869-159","gene838","","- C23 H21 Cl O -","- C23 H21 Cl O -","- C46 H42 Cl2 O2 -","2","1","","Lim, Ngiap-Kie; Weiss, Patrick; Li, Beryl X.; McCulley, Christina H.; Hare, Stephanie R.; Bensema, Bronwyn L.; Palazzo, Teresa A.; Tantillo, Dean J.; Zhang, Haiming; Gosselin, Francis","Synthesis of Highly Stereodefined Tetrasubstituted Acyclic All-Carbon Olefins via a Syn-Elimination Approach.","Organic letters","2017","19","22","6212","6215","10.1021/acs.orglett.7b03141","","","0.71073","MoKα","","0.0503","0.0392","","","0.0939","0.1008","","","","","","1.057","","","","has coordinates","204891","2020-10-21","18:00:00",""
"1547931","14.358","0.003","9.3991","0.0017","16.714","0.003","90","","104.03","0.006","90","","2188.3","0.7","100","2","100","2","","","","","","","","3","P 1 21/n 1","-P 2yn","14","68869-155","gene835","","- C27 H28 O2 -","- C27 H28 O2 -","- C108 H112 O8 -","4","1","","Lim, Ngiap-Kie; Weiss, Patrick; Li, Beryl X.; McCulley, Christina H.; Hare, Stephanie R.; Bensema, Bronwyn L.; Palazzo, Teresa A.; Tantillo, Dean J.; Zhang, Haiming; Gosselin, Francis","Synthesis of Highly Stereodefined Tetrasubstituted Acyclic All-Carbon Olefins via a Syn-Elimination Approach.","Organic letters","2017","19","22","6212","6215","10.1021/acs.orglett.7b03141","","","0.71073","MoKα","","0.1023","0.0568","","","0.1388","0.1626","","","","","","1.041","","","","has coordinates","204891","2020-10-21","18:00:00",""
"1547932","11.7538","0.0005","5.9738","0.0002","12.1137","0.0005","90","","93.451","0.002","90","","849.02","0.06","100","2","100","2","","","","","","","","4","P 1 21 1","P 2yb","4","60473-26","gene601","","- C22 H21 F O -","- C22 H21 F O -","- C44 H42 F2 O2 -","2","1","","Lim, Ngiap-Kie; Weiss, Patrick; Li, Beryl X.; McCulley, Christina H.; Hare, Stephanie R.; Bensema, Bronwyn L.; Palazzo, Teresa A.; Tantillo, Dean J.; Zhang, Haiming; Gosselin, Francis","Synthesis of Highly Stereodefined Tetrasubstituted Acyclic All-Carbon Olefins via a Syn-Elimination Approach.","Organic letters","2017","19","22","6212","6215","10.1021/acs.orglett.7b03141","","","0.71073","MoKα","","0.0814","0.0525","","","0.1058","0.1167","","","","","","1.046","","","","has coordinates","204891","2020-10-21","18:00:00",""
"1547933","8.7067","0.0009","9.2287","0.001","12.614","0.0013","77.052","0.002","72.793","0.002","64.314","0.002","867.09","0.16","100","2","100","2","","","","","","","","3","P -1","-P 1","2","68869-151","gene822","","- C23 H22 O -","- C23 H22 O -","- C46 H44 O2 -","2","1","","Lim, Ngiap-Kie; Weiss, Patrick; Li, Beryl X.; McCulley, Christina H.; Hare, Stephanie R.; Bensema, Bronwyn L.; Palazzo, Teresa A.; Tantillo, Dean J.; Zhang, Haiming; Gosselin, Francis","Synthesis of Highly Stereodefined Tetrasubstituted Acyclic All-Carbon Olefins via a Syn-Elimination Approach.","Organic letters","2017","19","22","6212","6215","10.1021/acs.orglett.7b03141","","","0.71073","MoKα","","0.0748","0.0457","","","0.1015","0.1172","","","","","","1.032","","","","has coordinates","204891","2020-10-21","18:00:00",""
"1547934","5.737","0.0003","15.6229","0.0007","18.8695","0.0008","90","","90","","90","","1691.25","0.14","100","2","100","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","71452-12","gene836","","- C20 H19 Cl O S -","- C20 H19 Cl O S -","- C80 H76 Cl4 O4 S4 -","4","1","","Lim, Ngiap-Kie; Weiss, Patrick; Li, Beryl X.; McCulley, Christina H.; Hare, Stephanie R.; Bensema, Bronwyn L.; Palazzo, Teresa A.; Tantillo, Dean J.; Zhang, Haiming; Gosselin, Francis","Synthesis of Highly Stereodefined Tetrasubstituted Acyclic All-Carbon Olefins via a Syn-Elimination Approach.","Organic letters","2017","19","22","6212","6215","10.1021/acs.orglett.7b03141","","","0.71073","MoKα","","0.0389","0.0341","","","0.0778","0.0796","","","","","","1.059","","","","has coordinates,has disorder","204891","2020-10-21","18:00:00",""
"1547935","5.8455","0.0003","16.6918","0.0007","37.3464","0.0016","90","","90.567","0.003","90","","3643.8","0.3","100","2","100","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","68869-138","gene802","","- C23 H21 Cl O -","- C23 H21 Cl O -","- C184 H168 Cl8 O8 -","8","2","","Lim, Ngiap-Kie; Weiss, Patrick; Li, Beryl X.; McCulley, Christina H.; Hare, Stephanie R.; Bensema, Bronwyn L.; Palazzo, Teresa A.; Tantillo, Dean J.; Zhang, Haiming; Gosselin, Francis","Synthesis of Highly Stereodefined Tetrasubstituted Acyclic All-Carbon Olefins via a Syn-Elimination Approach.","Organic letters","2017","19","22","6212","6215","10.1021/acs.orglett.7b03141","","","1.54178","CuKα","","0.0856","0.0577","","","0.1511","0.1682","","","","","","1.027","","","","has coordinates","204891","2020-10-21","18:00:00",""
"1547936","6.5207","0.0005","16.0428","0.0011","17.9567","0.0008","83.358","0.005","86.821","0.005","80.353","0.006","1838.2","0.2","100","2","100","2","","","","","","","","3","P -1","-P 1","2","71452-5","gene787","","- C23 H24 O2 -","- C23 H24 O2 -","- C92 H96 O8 -","4","2","","Lim, Ngiap-Kie; Weiss, Patrick; Li, Beryl X.; McCulley, Christina H.; Hare, Stephanie R.; Bensema, Bronwyn L.; Palazzo, Teresa A.; Tantillo, Dean J.; Zhang, Haiming; Gosselin, Francis","Synthesis of Highly Stereodefined Tetrasubstituted Acyclic All-Carbon Olefins via a Syn-Elimination Approach.","Organic letters","2017","19","22","6212","6215","10.1021/acs.orglett.7b03141","","","1.54184","CuKα","","0.0838","0.0678","","","0.2073","0.2201","","","","","","1.065","","","","has coordinates","214153","2020-10-21","18:00:00",""
"1547937","5.8984","0.0003","16.5715","0.0008","17.3993","0.0008","90","","90","","90","","1700.7","0.14","100","2","100","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","60473-72","gene603","","- C22 H21 F O -","- C22 H21 F O -","- C88 H84 F4 O4 -","4","1","","Lim, Ngiap-Kie; Weiss, Patrick; Li, Beryl X.; McCulley, Christina H.; Hare, Stephanie R.; Bensema, Bronwyn L.; Palazzo, Teresa A.; Tantillo, Dean J.; Zhang, Haiming; Gosselin, Francis","Synthesis of Highly Stereodefined Tetrasubstituted Acyclic All-Carbon Olefins via a Syn-Elimination Approach.","Organic letters","2017","19","22","6212","6215","10.1021/acs.orglett.7b03141","","","0.71073","MoKα","","0.0538","0.0429","","","0.0881","0.0926","","","","","","1.091","","","","has coordinates","204891","2020-10-21","18:00:00",""
"1547938","8.2234","0.0005","8.767","0.0005","13.8661","0.0008","91.431","0.002","95.956","0.003","110.953","0.003","926.45","0.1","100","2","100","2","","","","","","","","4","P -1","-P 1","2","60473-10","gene658","","- C23 H23 Cl O2 -","- C23 H23 Cl O2 -","- C46 H46 Cl2 O4 -","2","1","","Lim, Ngiap-Kie; Weiss, Patrick; Li, Beryl X.; McCulley, Christina H.; Hare, Stephanie R.; Bensema, Bronwyn L.; Palazzo, Teresa A.; Tantillo, Dean J.; Zhang, Haiming; Gosselin, Francis","Synthesis of Highly Stereodefined Tetrasubstituted Acyclic All-Carbon Olefins via a Syn-Elimination Approach.","Organic letters","2017","19","22","6212","6215","10.1021/acs.orglett.7b03141","","","1.54178","CuKα","","0.0363","0.0341","","","0.0872","0.0887","","","","","","1.058","","","","has coordinates","204891","2020-10-21","18:00:00",""
"1547939","5.9092","0.0003","13.9608","0.0005","39.1514","0.0016","90","","90","","90","","3229.9","0.2","100","2","100","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","71452-17","gene865","","- C20 H20 O S -","- C20 H20 O S -","- C160 H160 O8 S8 -","8","2","","Lim, Ngiap-Kie; Weiss, Patrick; Li, Beryl X.; McCulley, Christina H.; Hare, Stephanie R.; Bensema, Bronwyn L.; Palazzo, Teresa A.; Tantillo, Dean J.; Zhang, Haiming; Gosselin, Francis","Synthesis of Highly Stereodefined Tetrasubstituted Acyclic All-Carbon Olefins via a Syn-Elimination Approach.","Organic letters","2017","19","22","6212","6215","10.1021/acs.orglett.7b03141","","","0.71073","MoKα","","0.0579","0.0436","","","0.0909","0.0963","","","","","","1.04","","","","has coordinates,has disorder","204891","2020-10-21","18:00:00",""
"1547940","16.1056","0.0005","18.6607","0.0005","5.7399","0.0002","90","","90","","90","","1725.08","0.09","100","2","100","2","","","","","","","","3","P 21 21 2","P 2 2ab","18","68869-154-4","gene834","","- C22 H19 Cl -","- C22 H19 Cl -","- C88 H76 Cl4 -","4","1","","Lim, Ngiap-Kie; Weiss, Patrick; Li, Beryl X.; McCulley, Christina H.; Hare, Stephanie R.; Bensema, Bronwyn L.; Palazzo, Teresa A.; Tantillo, Dean J.; Zhang, Haiming; Gosselin, Francis","Synthesis of Highly Stereodefined Tetrasubstituted Acyclic All-Carbon Olefins via a Syn-Elimination Approach.","Organic letters","2017","19","22","6212","6215","10.1021/acs.orglett.7b03141","","","0.71073","MoKα","","0.0393","0.034","","","0.0785","0.0812","","","","","","1.055","","","","has coordinates","204891","2020-10-21","18:00:00",""
"1547941","20.898","0.0005","10.2307","0.0002","17.2114","0.0004","90","","109.785","0.001","90","","3462.6","0.14","100","2","100","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","68869-156-5","gene840","","- C22 H18 Cl F -","- C22 H18 Cl F -","- C176 H144 Cl8 F8 -","8","1","","Lim, Ngiap-Kie; Weiss, Patrick; Li, Beryl X.; McCulley, Christina H.; Hare, Stephanie R.; Bensema, Bronwyn L.; Palazzo, Teresa A.; Tantillo, Dean J.; Zhang, Haiming; Gosselin, Francis","Synthesis of Highly Stereodefined Tetrasubstituted Acyclic All-Carbon Olefins via a Syn-Elimination Approach.","Organic letters","2017","19","22","6212","6215","10.1021/acs.orglett.7b03141","","","1.54178","CuKα","","0.0328","0.0304","","","0.0792","0.0813","","","","","","1.042","","","","has coordinates","204891","2020-10-21","18:00:00",""
"1547945","10.043","0.005","18.838","0.009","11.15","0.005","90","","113.174","0.006","90","","1939.3","1.6","200","2","200","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C8 H24 O6 Si5 -","- C8 H24 O6 Si5 -","- C32 H96 O24 Si20 -","4","1","","Wu, Chunyan; Yu, Jianyi; li, qiaosheng; Liu, Yuzhou","High Molecular Weight Cyclic Polysiloxane from Organocatalytic Zwitterionic Polymerization of Constrained Spirocyclosiloxanes","Polymer Chemistry","2017","","","","","10.1039/C7PY01499F","","","0.71073","MoKα","","0.1533","0.0823","","","0.1789","0.2127","","","","","","1.019","","","","has coordinates","202999","2020-10-21","18:00:00",""
"1547946","17.6005","0.0004","18.7929","0.0005","26.8471","0.0006","89.303","0.002","84.834","0.002","86.718","0.002","8829.3","0.4","230","","230","","","","","","","","","6","P -1","-P 1","2","","","","- C221.98 H400.98 Ag40.77 Au9.23 P0.25 S36 -","- C221.976 H401 Ag40.774 Au9.226 P0.25 S36 -","- C221.976 H401 Ag40.774 Au9.226 P0.25 S36 -","1","0.5","","Jin, Rongchao; Jin, Renxi; Zhao, Shuo; Liu, Chong; Zhou, Meng; Panapitiya, Gihan; Xing, Yan; Rosi, Nathaniel L.; Lewis, James P.","Controlling Ag-Doping in [AgxAu25-x(SC6H11)18]‒ Nanoclusters, Cryogenic Optical, Electronic and Electrocatalytic Properties","Nanoscale","2017","","","","","10.1039/C7NR05871C","","","1.54178","CuKα","","0.1354","0.0758","","","0.2103","0.2579","","","","","","1.011","","","","has coordinates,has disorder","203029","2020-10-21","18:00:00",""
"1547947","13.1207","0.001","15.5348","0.0011","22.321","0.0016","72.773","0.004","77.36","0.004","70.252","0.004","4054.1","0.5","293","2","293","2","","","","","","","","6","P -1","-P 1","2","","","","- C51 H91 Cl21 Fe N14 O6 -","- C51 H91 Cl21 Fe N14 O6 -","- C102 H182 Cl42 Fe2 N28 O12 -","2","1","","Stefania Tomyn; Sergii I. Shylin; Dmytro Bykov; Vadim Ksenofontov; Elzbieta Gumienna-Kontecka; Volodymyr Bon; Igor O. Fritsky","Indefinitely stable iron(IV) cage complexes formed in water by air oxidation","Nature Communications","2017","8","","14099","","10.1038/ncomms14099","","","0.71073","MoKα","","0.1641","0.0925","","","0.2475","0.2956","","","","","","1.027","","","","has coordinates,has disorder","203036","2020-10-21","18:00:00",""
"1547948","21.088","0.0004","21.0711","0.0004","29.6134","0.0005","90","","90","","90","","13158.6","0.4","296","2","296","2","","","","","","","","6","P b c a","-P 2ac 2ab","61","","","","- C60 H78.56 As2 Fe N12 O19.28 -","- C60 H78.564 As2 Fe N12 O19.282 -","- C480 H628.512 As16 Fe8 N96 O154.256 -","8","1","","Stefania Tomyn; Sergii I. Shylin; Dmytro Bykov; Vadim Ksenofontov; Elzbieta Gumienna-Kontecka; Volodymyr Bon; Igor O. Fritsky","Indefinitely stable iron(IV) cage complexes formed in water by air oxidation","Nature Communications","2017","8","","14099","","10.1038/ncomms14099","","","0.71073","MoKα","","0.1337","0.0529","","","0.0961","0.123","","","","","","1.005","","","","has coordinates,has disorder","203037","2020-10-21","18:00:00",""
"1547949","9.4448","0.0006","12.0118","0.0008","12.3759","0.0008","87.085","0.004","73.158","0.004","84.015","0.004","1336.17","0.15","293","2","293","2","","","","","","","","6","P -1","-P 1","2","","","","- C15 H32 Ca Fe N12 O13 -","- C15 H32 Ca Fe N12 O13 -","- C30 H64 Ca2 Fe2 N24 O26 -","2","1","","Stefania Tomyn; Sergii I. Shylin; Dmytro Bykov; Vadim Ksenofontov; Elzbieta Gumienna-Kontecka; Volodymyr Bon; Igor O. Fritsky","Indefinitely stable iron(IV) cage complexes formed in water by air oxidation","Nature Communications","2017","8","","14099","","10.1038/ncomms14099","","","0.71073","MoKα","","0.1793","0.0745","","","0.1217","0.1589","","","","","","0.926","","","","has coordinates","203038","2020-10-21","18:00:00",""
"1547950","9.4226","0.0003","10.7168","0.0003","13.2648","0.0004","90","","90","","90","","1339.48","0.07","293","","293","","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C8 H6 Br4 N4 Re -","- C8 H6 Br4 N4 Re -","- C32 H24 Br16 N16 Re4 -","4","1","","Christopher H. Woodall; Gavin A. Craig; Alessandro Prescimone; Martin Misek; Joan Cano; Juan Faus; Michael R. Probert; Simon Parsons; Stephen Moggach; Jose Martinez-Lillo; Mark Murrie; Konstantin V. Kamenev; Euan K. Brechin","Pressure induced enhancement of the magnetic ordering temperature in rhenium(IV) monomers","Nature Communications","2017","7","","13870","","10.1038/ncomms13870","","x-ray","0.71073","MoKα","","0.0328","0.0276","","","0.0645","0.0705","","","","","","1.212","","","","has coordinates","203039","2020-10-21","18:00:00",""
"1547951","9.2129","0.0005","10.5779","0.0005","13.0532","0.0006","90","","90","","90","","1272.08","0.11","293","","293","","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C8 H6 Br4 N4 Re -","- C8 H6 Br4 N4 Re -","- C32 H24 Br16 N16 Re4 -","4","1","","Christopher H. Woodall; Gavin A. Craig; Alessandro Prescimone; Martin Misek; Joan Cano; Juan Faus; Michael R. Probert; Simon Parsons; Stephen Moggach; Jose Martinez-Lillo; Mark Murrie; Konstantin V. Kamenev; Euan K. Brechin","Pressure induced enhancement of the magnetic ordering temperature in rhenium(IV) monomers","Nature Communications","2017","7","","13870","","10.1038/ncomms13870","","x-ray","0.71073","MoKα","","0.0313","0.0286","","","0.0659","0.0687","","","","","","1.104","","","","has coordinates","203040","2020-10-21","18:00:00",""
"1547952","9.1029","0.001","10.5419","0.0009","12.9562","0.0008","90","","90","","90","","1243.3","0.19","293","","293","","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C8 H6 Br4 N4 Re -","- C8 H6 Br4 N4 Re -","- C32 H24 Br16 N16 Re4 -","4","1","","Christopher H. Woodall; Gavin A. Craig; Alessandro Prescimone; Martin Misek; Joan Cano; Juan Faus; Michael R. Probert; Simon Parsons; Stephen Moggach; Jose Martinez-Lillo; Mark Murrie; Konstantin V. Kamenev; Euan K. Brechin","Pressure induced enhancement of the magnetic ordering temperature in rhenium(IV) monomers","Nature Communications","2017","7","","13870","","10.1038/ncomms13870","","x-ray","0.71073","MoKα","","0.0589","0.0525","","","0.1326","0.1405","","","","","","1.109","","","","has coordinates","203041","2020-10-21","18:00:00",""
"1547953","9.0638","0.0003","10.4978","0.0003","12.9039","0.0004","90","","90","","90","","1227.81","0.07","293","","293","","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C8 H6 Br4 N4 Re -","- C8 H6 Br4 N4 Re -","- C32 H24 Br16 N16 Re4 -","4","1","","Christopher H. Woodall; Gavin A. Craig; Alessandro Prescimone; Martin Misek; Joan Cano; Juan Faus; Michael R. Probert; Simon Parsons; Stephen Moggach; Jose Martinez-Lillo; Mark Murrie; Konstantin V. Kamenev; Euan K. Brechin","Pressure induced enhancement of the magnetic ordering temperature in rhenium(IV) monomers","Nature Communications","2017","7","","13870","","10.1038/ncomms13870","","x-ray","0.71073","MoKα","","0.0298","0.0281","","","0.0668","0.0677","","","","","","1.189","","","","has coordinates","203042","2020-10-21","18:00:00",""
"1547954","8.9159","0.0005","12.7935","0.0006","10.4016","0.0005","90","","91.208","0.004","90","","1186.2","0.1","293","","293","","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C8 H6 Br4 N4 Re -","- C8 H6 Br4 N4 Re -","- C32 H24 Br16 N16 Re4 -","4","2","","Christopher H. Woodall; Gavin A. Craig; Alessandro Prescimone; Martin Misek; Joan Cano; Juan Faus; Michael R. Probert; Simon Parsons; Stephen Moggach; Jose Martinez-Lillo; Mark Murrie; Konstantin V. Kamenev; Euan K. Brechin","Pressure induced enhancement of the magnetic ordering temperature in rhenium(IV) monomers","Nature Communications","2017","7","","13870","","10.1038/ncomms13870","","x-ray","0.71073","MoKα","","0.0388","0.0335","","","0.0739","0.0781","","","","","","1.098","","","","has coordinates","203043","2020-10-21","18:00:00",""
"1547955","8.873","0.001","12.778","0.0009","10.3459","0.001","90","","92.25","0.009","90","","1172.11","0.19","293","","293","","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C8 H6 Br4 N4 Re -","- C8 H6 Br4 N4 Re -","- C32 H24 Br16 N16 Re4 -","4","2","","Christopher H. Woodall; Gavin A. Craig; Alessandro Prescimone; Martin Misek; Joan Cano; Juan Faus; Michael R. Probert; Simon Parsons; Stephen Moggach; Jose Martinez-Lillo; Mark Murrie; Konstantin V. Kamenev; Euan K. Brechin","Pressure induced enhancement of the magnetic ordering temperature in rhenium(IV) monomers","Nature Communications","2017","7","","13870","","10.1038/ncomms13870","","x-ray","0.71073","MoKα","","0.037","0.0337","","","0.0762","0.0777","","","","","","1.097","","","","has coordinates","203044","2020-10-21","18:00:00",""
"1547956","9.6089","0.0003","10.8491","0.0003","13.4542","0.0004","90","","90","","90","","1402.57","0.07","293","","293","","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C8 H6 Br4 N4 Re -","- C8 H6 Br4 N4 Re -","- C32 H24 Br16 N16 Re4 -","4","1","","Christopher H. Woodall; Gavin A. Craig; Alessandro Prescimone; Martin Misek; Joan Cano; Juan Faus; Michael R. Probert; Simon Parsons; Stephen Moggach; Jose Martinez-Lillo; Mark Murrie; Konstantin V. Kamenev; Euan K. Brechin","Pressure induced enhancement of the magnetic ordering temperature in rhenium(IV) monomers","Nature Communications","2017","7","","13870","","10.1038/ncomms13870","","x-ray","0.71073","MoKα","","0.0474","0.0307","","","0.0514","0.0547","","","","","","1.037","","","","has coordinates","203045","2020-10-21","18:00:00",""
"1547957","9.6184","0.0004","10.8488","0.0004","13.4471","0.0004","90","","90","","90","","1403.18","0.09","293","","293","","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C8 H6 Br4 N4 Re -","- C8 H6 Br4 N4 Re -","- C32 H24 Br16 N16 Re4 -","4","1","","Christopher H. Woodall; Gavin A. Craig; Alessandro Prescimone; Martin Misek; Joan Cano; Juan Faus; Michael R. Probert; Simon Parsons; Stephen Moggach; Jose Martinez-Lillo; Mark Murrie; Konstantin V. Kamenev; Euan K. Brechin","Pressure induced enhancement of the magnetic ordering temperature in rhenium(IV) monomers","Nature Communications","2017","7","","13870","","10.1038/ncomms13870","","x-ray","0.71073","MoKα","","0.0545","0.0457","","","0.1126","0.1187","","","","","","1.21","","","","has coordinates","203046","2020-10-21","18:00:00",""
"1547958","10.3829","0.0006","13.4805","0.0009","9.7632","0.0011","90","","90","","90","","1366.5","0.2","300","","300","","","","100000","","","","F.J. Martinez Lillo","5","P n m a","-P 2ac 2n","62","","","","- C6 H9 Cl4 N3 Re -","- C6 H9 Cl4 N3 Re -","- C24 H36 Cl16 N12 Re4 -","4","0.5","","Christopher H. Woodall; Gavin A. Craig; Alessandro Prescimone; Martin Misek; Joan Cano; Juan Faus; Michael R. Probert; Simon Parsons; Stephen Moggach; Jose Martinez-Lillo; Mark Murrie; Konstantin V. Kamenev; Euan K. Brechin","Pressure induced enhancement of the magnetic ordering temperature in rhenium(IV) monomers","Nature Communications","2017","7","","13870","","10.1038/ncomms13870","","","0.4859","Synchrotron-DiamondLightSourceBeamlineI19","","0.0338","0.0301","","0.0342","0.0283","0.0283","","","","","","0.9127","","","","has coordinates","203047","2020-10-21","18:00:00",""
"1547959","10.2971","0.0005","13.4016","0.0009","9.6238","0.001","90","","90","","90","","1328.06","0.18","300","","300","","","","300000","","","","F.J. Martinez Lillo","5","P n m a","-P 2ac 2n","62","","","","- C6 H9 Cl4 N3 Re -","- C6 H9 Cl4 N3 Re -","- C24 H36 Cl16 N12 Re4 -","4","0.5","","Christopher H. Woodall; Gavin A. Craig; Alessandro Prescimone; Martin Misek; Joan Cano; Juan Faus; Michael R. Probert; Simon Parsons; Stephen Moggach; Jose Martinez-Lillo; Mark Murrie; Konstantin V. Kamenev; Euan K. Brechin","Pressure induced enhancement of the magnetic ordering temperature in rhenium(IV) monomers","Nature Communications","2017","7","","13870","","10.1038/ncomms13870","","","0.4859","Synchrotron-DiamondLightSourceBeamlineI19","","0.0298","0.0257","","0.0275","0.0222","0.0222","","","","","","0.9141","","","","has coordinates","203048","2020-10-21","18:00:00",""
"1547960","10.118","0.0006","13.259","0.002","9.3321","0.0006","90","","90","","90","","1251.9","0.2","300","","300","","","","1200000","","","","F.J. Martinez Lillo","5","P n m a","-P 2ac 2n","62","","","","- C6 H9 Cl4 N3 Re -","- C6 H9 Cl4 N3 Re -","- C24 H36 Cl16 N12 Re4 -","4","0.5","","Christopher H. Woodall; Gavin A. Craig; Alessandro Prescimone; Martin Misek; Joan Cano; Juan Faus; Michael R. Probert; Simon Parsons; Stephen Moggach; Jose Martinez-Lillo; Mark Murrie; Konstantin V. Kamenev; Euan K. Brechin","Pressure induced enhancement of the magnetic ordering temperature in rhenium(IV) monomers","Nature Communications","2017","7","","13870","","10.1038/ncomms13870","","","0.4859","Synchrotron-DiamondLightSourceBeamlineI19","","0.0234","0.0178","","0.024","0.0197","0.0197","","","","","","0.881","","","","has coordinates","203049","2020-10-21","18:00:00",""
"1547961","10.0281","0.0005","13.122","0.002","9.1585","0.0005","90","","90","","90","","1205.2","0.2","300","","300","","","","1800000","","","","F.J. Martinez Lillo","5","P n m a","-P 2ac 2n","62","","","","- C6 H9 Cl4 N3 Re -","- C6 H9 Cl4 N3 Re -","- C24 H36 Cl16 N12 Re4 -","4","0.5","","Christopher H. Woodall; Gavin A. Craig; Alessandro Prescimone; Martin Misek; Joan Cano; Juan Faus; Michael R. Probert; Simon Parsons; Stephen Moggach; Jose Martinez-Lillo; Mark Murrie; Konstantin V. Kamenev; Euan K. Brechin","Pressure induced enhancement of the magnetic ordering temperature in rhenium(IV) monomers","Nature Communications","2017","7","","13870","","10.1038/ncomms13870","","","0.4859","Synchrotron-DiamondLightSourceBeamlineI19","","0.0283","0.0234","","0.03","0.023","0.023","","","","","","0.9963","","","","has coordinates","203050","2020-10-21","18:00:00",""
"1547962","9.9548","0.001","12.959","0.005","9.0069","0.0011","90","","90","","90","","1161.9","0.5","300","","300","","","","2600000","","","","F.J. Martinez Lillo","5","P n m a","-P 2ac 2n","62","","","","- C6 H9 Cl4 N3 Re -","- C6 H9 Cl4 N3 Re -","- C24 H36 Cl16 N12 Re4 -","4","0.5","","Christopher H. Woodall; Gavin A. Craig; Alessandro Prescimone; Martin Misek; Joan Cano; Juan Faus; Michael R. Probert; Simon Parsons; Stephen Moggach; Jose Martinez-Lillo; Mark Murrie; Konstantin V. Kamenev; Euan K. Brechin","Pressure induced enhancement of the magnetic ordering temperature in rhenium(IV) monomers","Nature Communications","2017","7","","13870","","10.1038/ncomms13870","","","0.4859","Synchrotron-DiamondLightSourceBeamlineI19","","0.0334","0.0287","","0.0382","0.0332","0.0332","","","","","","1.0081","","","","has coordinates","203051","2020-10-21","18:00:00",""
"1547963","9.835","0.002","12.816","0.015","8.746","0.003","90","","90","","90","","1102.4","1.4","300","","300","","","","4300000","","","","F.J. Martinez Lillo","5","P n m a","-P 2ac 2n","62","","","","- C6 H9 Cl4 N3 Re -","- C6 H9 Cl4 N3 Re -","- C24 H36 Cl16 N12 Re4 -","4","0.5","","Christopher H. Woodall; Gavin A. Craig; Alessandro Prescimone; Martin Misek; Joan Cano; Juan Faus; Michael R. Probert; Simon Parsons; Stephen Moggach; Jose Martinez-Lillo; Mark Murrie; Konstantin V. Kamenev; Euan K. Brechin","Pressure induced enhancement of the magnetic ordering temperature in rhenium(IV) monomers","Nature Communications","2017","7","","13870","","10.1038/ncomms13870","","","0.4859","Synchrotron-DiamondLightSourceBeamlineI19","","0.0948","0.0702","","0.0599","0.0508","0.0508","","","","","","1.1071","","","","has coordinates","203052","2020-10-21","18:00:00",""
"1547964","10.4093","0.0004","13.5203","0.0005","9.8134","0.0003","90","","90","","90","","1381.11","0.08","300","","300","","","","","","","","F.J. Martinez Lillo","5","P n m a","-P 2ac 2n","62","","","","- C6 H9 Cl4 N3 Re -","- C6 H9 Cl4 N3 Re -","- C24 H36 Cl16 N12 Re4 -","4","0.5","","Christopher H. Woodall; Gavin A. Craig; Alessandro Prescimone; Martin Misek; Joan Cano; Juan Faus; Michael R. Probert; Simon Parsons; Stephen Moggach; Jose Martinez-Lillo; Mark Murrie; Konstantin V. Kamenev; Euan K. Brechin","Pressure induced enhancement of the magnetic ordering temperature in rhenium(IV) monomers","Nature Communications","2017","7","","13870","","10.1038/ncomms13870","","","0.71073","MoKα","","0.022","0.0194","","0.0206","0.0189","0.0189","","","","","","1.0682","","","","has coordinates","203053","2020-10-21","18:00:00",""
"1547965","10.261","0.0002","13.4766","0.0003","9.5069","0.0002","90","","90","","90","","1314.65","0.05","4","","4","","","","","","","","","5","P n m a","-P 2ac 2n","62","","","","- C6 H9 Cl4 N3 Re -","- C6 H9 Cl4 N3 Re -","- C24 H36 Cl16 N12 Re4 -","4","0.5","","Christopher H. Woodall; Gavin A. Craig; Alessandro Prescimone; Martin Misek; Joan Cano; Juan Faus; Michael R. Probert; Simon Parsons; Stephen Moggach; Jose Martinez-Lillo; Mark Murrie; Konstantin V. Kamenev; Euan K. Brechin","Pressure induced enhancement of the magnetic ordering temperature in rhenium(IV) monomers","Nature Communications","2017","7","","13870","","10.1038/ncomms13870","","x-ray","0.71073","MoKα","","0.0151","0.0149","","","0.0339","0.034","","","","","","1.287","","","","has coordinates,has disorder","203054","2020-10-21","18:00:00",""
"1547966","9.4883","0.0003","10.7299","0.0004","13.3288","0.0005","90","","90","","90","","1356.99","0.08","4","2","3.93","","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C8 H6 Br4 N4 Re -","- C8 H6 Br4 N4 Re -","- C32 H24 Br16 N16 Re4 -","4","1","","Christopher H. Woodall; Gavin A. Craig; Alessandro Prescimone; Martin Misek; Joan Cano; Juan Faus; Michael R. Probert; Simon Parsons; Stephen Moggach; Jose Martinez-Lillo; Mark Murrie; Konstantin V. Kamenev; Euan K. Brechin","Pressure induced enhancement of the magnetic ordering temperature in rhenium(IV) monomers","Nature Communications","2017","7","","13870","","10.1038/ncomms13870","","x-ray","0.71073","MoKα","","0.0215","0.0205","","","0.0433","0.0437","","","","","","1.076","","","","has coordinates","203055","2020-10-21","18:00:00",""
"1547992","13.8759","0.00049","3.65767","0.00013","6.28415","0.00022","90","","99.0574","0.0012","90","","314.966","0.019","300","","300","","","","","","","","","3","C 1 2/m 1","-C 2y","12","","","","- Gd2 O8 S -","- Gd2 O8 S -","- Gd4 O16 S2 -","2","0.25","","Xuejiao Wang; Maxim Molokeev; Qi Zhu; Ji-Guang Li","Controlled Hydrothermal Crystallization of Anhydrous Ln2(OH)4SO4 as a New Family of Layered Rare-Earth Hydroxide (Ln=Eu-Lu and Y)","Chemistry A European Journal","2017","23","0","16034","16043","10.1002/chem.201703282","powder diffraction","x-ray","1.5406","CuKα~1~~2~","","","","","","","","","2.95","1.98","","","","","","","has coordinates","205493","2020-10-21","18:00:00",""
"1547996","31.7332","0.0011","25.7464","0.0004","20.982","0.0008","90","","132.711","0.006","90","","12596.1","1.4","120.01","0.1","120.01","0.1","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C62 H77 N4 P4 Si4 Tb -","- C62 H77 N4 P4 Si4 Tb -","- C496 H616 N32 P32 Si32 Tb8 -","8","1","","Matthew Gregson; Erli Lu; David P. Mills; Floriana Tuna; Eric J. L. McInnes; Christoph Hennig; Andreas C. Scheinost; Jonathan McMaster; William Lewis; Alexander J. Blake; Andrew Kerridge; Stephen T. Liddle","The inverse-trans-influence in tetravalent lanthanide and actinide bis(carbene) complexes","Nature Communications","2017","8","","14137","","10.1038/ncomms14137","","","1.54184","CuKα","","0.0271","0.0244","","","0.0602","0.0616","","","","","","1.02","","","","has coordinates","203110","2020-10-21","18:00:00",""
"1547997","16.9671","0.0006","17.9463","0.0005","19.155","0.0006","71.281","0.003","64.086","0.003","65.421","0.003","4701.3","0.3","120","2","120","2","","","","","","","","8","P -1","-P 1","2","","","","- C89 H124 Ce K N4 O8 P4 Si4 -","- C89 H124 Ce K N4 O8 P4 Si4 -","- C178 H248 Ce2 K2 N8 O16 P8 Si8 -","2","1","","Matthew Gregson; Erli Lu; David P. Mills; Floriana Tuna; Eric J. L. McInnes; Christoph Hennig; Andreas C. Scheinost; Jonathan McMaster; William Lewis; Alexander J. Blake; Andrew Kerridge; Stephen T. Liddle","The inverse-trans-influence in tetravalent lanthanide and actinide bis(carbene) complexes","Nature Communications","2017","8","","14137","","10.1038/ncomms14137","","x-ray","1.54184","CuKα","","0.0432","0.0415","","","0.1083","0.1109","","","","","","1.023","","","","has coordinates,has disorder","203111","2020-10-21","18:00:00",""
"1547998","16.9776","0.0006","17.8949","0.0006","19.1874","0.0007","71.135","0.003","64.209","0.004","65.333","0.003","4697.6","0.3","120","2","120","2","","","","","","","","8","P -1","-P 1","2","","","","- C89 H124 K N4 O8 P4 Pr Si4 -","- C89 H124 K N4 O8 P4 Pr Si4 -","- C178 H248 K2 N8 O16 P8 Pr2 Si8 -","2","1","","Matthew Gregson; Erli Lu; David P. Mills; Floriana Tuna; Eric J. L. McInnes; Christoph Hennig; Andreas C. Scheinost; Jonathan McMaster; William Lewis; Alexander J. Blake; Andrew Kerridge; Stephen T. Liddle","The inverse-trans-influence in tetravalent lanthanide and actinide bis(carbene) complexes","Nature Communications","2017","8","","14137","","10.1038/ncomms14137","","x-ray","1.54184","CuKα","","0.058","0.0558","","","0.1517","0.1554","","","","","","1.048","","","","has coordinates,has disorder","203112","2020-10-21","18:00:00",""
"1547999","15.1657","0.0005","15.2813","0.0004","21.1867","0.0005","98.753","0.002","94.959","0.002","93.489","0.002","4821","0.2","120","2","120","2","","","","","","","","8","P -1","-P 1","2","","","","- C90 H132 K N4 O10 P4 Si4 Tb -","- C90 H132 K N4 O10 P4 Si4 Tb -","- C180 H264 K2 N8 O20 P8 Si8 Tb2 -","2","1","","Matthew Gregson; Erli Lu; David P. Mills; Floriana Tuna; Eric J. L. McInnes; Christoph Hennig; Andreas C. Scheinost; Jonathan McMaster; William Lewis; Alexander J. Blake; Andrew Kerridge; Stephen T. Liddle","The inverse-trans-influence in tetravalent lanthanide and actinide bis(carbene) complexes","Nature Communications","2017","8","","14137","","10.1038/ncomms14137","","x-ray","1.54184","CuKα","","0.0675","0.0589","","","0.1545","0.1641","","","","","","1.024","","","","has coordinates,has disorder","203113","2020-10-21","18:00:00",""
"1548000","12.5621","0.0002","13.937","0.0003","21.4408","0.0004","95.8269","0.0016","101.874","0.0014","109.053","0.0017","3414.01","0.12","120","2","120","2","","","","","","","","6","P -1","-P 1","2","","","","- C67 H88 Ce N4 P4 Si4 -","- C67 H88 Ce N4 P4 Si4 -","- C134 H176 Ce2 N8 P8 Si8 -","2","1","","Matthew Gregson; Erli Lu; David P. Mills; Floriana Tuna; Eric J. L. McInnes; Christoph Hennig; Andreas C. Scheinost; Jonathan McMaster; William Lewis; Alexander J. Blake; Andrew Kerridge; Stephen T. Liddle","The inverse-trans-influence in tetravalent lanthanide and actinide bis(carbene) complexes","Nature Communications","2017","8","","14137","","10.1038/ncomms14137","","x-ray","1.54184","CuKα","","0.0306","0.0293","","","0.0749","0.0761","","","","","","1.023","","","","has coordinates,has disorder","203115","2020-10-21","18:00:00",""
"1548001","19.1815","0.0018","19.125","0.0019","12.1896","0.0012","90","","90","","90","","4471.7","0.8","90","2","90","2","","","","","","","","6","P n m a","-P 2ac 2n","62","","","","- C39 H60 N2 P2 Si4 U -","- C39 H60 N2 P2 Si4 U -","- C156 H240 N8 P8 Si16 U4 -","4","0.5","","Matthew Gregson; Erli Lu; David P. Mills; Floriana Tuna; Eric J. L. McInnes; Christoph Hennig; Andreas C. Scheinost; Jonathan McMaster; William Lewis; Alexander J. Blake; Andrew Kerridge; Stephen T. Liddle","The inverse-trans-influence in tetravalent lanthanide and actinide bis(carbene) complexes","Nature Communications","2017","8","","14137","","10.1038/ncomms14137","","","1.54184","CuKα","","0.0948","0.0857","","","0.2269","0.2364","","","","","","1.044","","","","has coordinates,has disorder","203116","2020-10-21","18:00:00",""
"1548002","45.8315","0.0014","13.00211","0.00019","24.0634","0.0005","90","","104.354","0.003","90","","13891.9","0.6","120","2","120","2","","","","","","","","7","C 1 2/c 1","-C 2yc","15","","","","- C69 H84 Ag N4 P4 Pr Si4 -","- C69 H84 Ag N4 P4 Pr Si4 -","- C552 H672 Ag8 N32 P32 Pr8 Si32 -","8","1","","Matthew Gregson; Erli Lu; David P. Mills; Floriana Tuna; Eric J. L. McInnes; Christoph Hennig; Andreas C. Scheinost; Jonathan McMaster; William Lewis; Alexander J. Blake; Andrew Kerridge; Stephen T. Liddle","The inverse-trans-influence in tetravalent lanthanide and actinide bis(carbene) complexes","Nature Communications","2017","8","","14137","","10.1038/ncomms14137","","x-ray","1.54184","CuKα","","0.0445","0.0344","","","0.0778","0.0825","","","","","","1.019","","","","has coordinates","203117","2020-10-21","18:00:00",""
"1548003","12.6142","0.0006","13.8834","0.0005","21.4347","0.0008","95.968","0.003","101.233","0.003","109.178","0.004","3419.9","0.3","90","2","90","2","","","","","","","","6","P -1","-P 1","2","","","","- C68 H90 N4 P4 Si4 U -","- C62 H76 N4 P4 Si4 U -","- C124 H152 N8 P8 Si8 U2 -","2","1","","Matthew Gregson; Erli Lu; David P. Mills; Floriana Tuna; Eric J. L. McInnes; Christoph Hennig; Andreas C. Scheinost; Jonathan McMaster; William Lewis; Alexander J. Blake; Andrew Kerridge; Stephen T. Liddle","The inverse-trans-influence in tetravalent lanthanide and actinide bis(carbene) complexes","Nature Communications","2017","8","","14137","","10.1038/ncomms14137","","x-ray","1.54184","CuKα","","0.062","0.0531","","","0.1315","0.1408","","","","","","1.038","","","","has coordinates","203118","2020-10-21","18:00:00",""
"1548004","12.9528","0.0003","14.0462","0.0005","19.2134","0.0003","95.067","0.002","92.9824","0.0018","110.18","0.003","3255.49","0.16","120","2","120","2","","","","","","","","6","P -1","-P 1","2","","","","- C65.5 H80 N4 P4 Si4 Th -","- C65.5 H80 N4 P4 Si4 Th -","- C131 H160 N8 P8 Si8 Th2 -","2","1","","Matthew Gregson; Erli Lu; David P. Mills; Floriana Tuna; Eric J. L. McInnes; Christoph Hennig; Andreas C. Scheinost; Jonathan McMaster; William Lewis; Alexander J. Blake; Andrew Kerridge; Stephen T. Liddle","The inverse-trans-influence in tetravalent lanthanide and actinide bis(carbene) complexes","Nature Communications","2017","8","","14137","","10.1038/ncomms14137","","x-ray","1.54184","CuKα","","0.0236","0.0233","","","0.0609","0.0611","","","","","","1.045","","","","has coordinates,has disorder","203119","2020-10-21","18:00:00",""
"1548005","19.2611","0.0016","19.2083","0.0018","12.23","0.0011","90","","90","","90","","4524.8","0.7","90","2","90.15","","","","","","","","","6","P n m a","-P 2ac 2n","62","","","","- C39 H60 N2 P2 Si4 Th -","- C39 H60 N2 P2 Si4 Th -","- C156 H240 N8 P8 Si16 Th4 -","4","0.5","","Matthew Gregson; Erli Lu; David P. Mills; Floriana Tuna; Eric J. L. McInnes; Christoph Hennig; Andreas C. Scheinost; Jonathan McMaster; William Lewis; Alexander J. Blake; Andrew Kerridge; Stephen T. Liddle","The inverse-trans-influence in tetravalent lanthanide and actinide bis(carbene) complexes","Nature Communications","2017","8","","14137","","10.1038/ncomms14137","","","0.71073","MoKα","","0.1123","0.0828","","","0.2095","0.2391","","","","","","1.167","","","","has coordinates,has disorder","203120","2020-10-21","18:00:00",""
"1548006","45.786","0.003","12.9185","0.0007","24.1821","0.0012","90","","104.683","0.005","90","","13836.3","1.4","120","2","120","2","","","","","","","","7","C 1 2/c 1","-C 2yc","15","","","","- C69 H84 Ag N4 P4 Si4 Tb -","- C69 H84 Ag N4 P4 Si4 Tb -","- C552 H672 Ag8 N32 P32 Si32 Tb8 -","8","1","","Matthew Gregson; Erli Lu; David P. Mills; Floriana Tuna; Eric J. L. McInnes; Christoph Hennig; Andreas C. Scheinost; Jonathan McMaster; William Lewis; Alexander J. Blake; Andrew Kerridge; Stephen T. Liddle","The inverse-trans-influence in tetravalent lanthanide and actinide bis(carbene) complexes","Nature Communications","2017","8","","14137","","10.1038/ncomms14137","","x-ray","1.54184","CuKα","","0.0389","0.0341","","","0.0835","0.087","","","","","","1.021","","","","has coordinates","203121","2020-10-21","18:00:00",""
"1548052","6.6783","0.0006","7.8355","0.0007","8.1648","0.0008","65.48","0.002","86.218","0.002","72.786","0.002","370.51","0.06","100","2","100","2","","","","","","","","4","P -1","-P 1","2","PDJXC2-44","","","- C7 H4 Cl2 O2 -","- C7 H4 Cl2 O2 -","- C14 H8 Cl4 O4 -","2","1","","Chen, Xiao-Yang; Ozturk, Seyma; Sorensen, Erik J.","Pd-Catalyzed Ortho C-H Hydroxylation of Benzaldehydes Using a Transient Directing Group.","Organic letters","2017","19","23","6280","6283","10.1021/acs.orglett.7b02906","","","0.71073","MoKα","","0.0391","0.0307","","","0.077","0.0807","","","","","","1.043","","","","has coordinates","204894","2020-10-21","18:00:00",""
"1548058","11.0856","0.0007","12.1478","0.0009","17.3866","0.001","87.173","0.005","74.8","0.005","62.917","0.007","2005","0.3","293","2","293","2","","","","","","","","7","P -1","-P 1","2","","","","- C48 H36 F2 Ni O3 P2 S -","- C48 H36 F2 Ni O3 P2 S -","- C96 H72 F4 Ni2 O6 P4 S2 -","2","1","","Song, Guangzhi; Pang, Wen-Min; Li, Weimin; Chen, Min; Chen, Changle","Phosphine-sulfonate-based Nickel Catalysts: Ethylene Polymerization and Copolymerization with Polar-functionalized Norbornenes","Polymer Chemistry","2017","","","","","10.1039/C7PY01661A","","","1.54178","CuKα","","0.0844","0.0531","","","0.083","0.0934","","","","","","1.016","","","","has coordinates","203215","2020-10-21","18:00:00",""
"1548059","11.0906","0.001","18.6539","0.0012","21.985","0.0018","90","","114.088","0.003","90","","4152.3","0.6","293","2","293","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C98 H80 Cl4 Ni2 O6 P4 S2 -","- C98 H80 Cl4 Ni2 O6 P4 S2 -","- C196 H160 Cl8 Ni4 O12 P8 S4 -","2","0.5","","Song, Guangzhi; Pang, Wen-Min; Li, Weimin; Chen, Min; Chen, Changle","Phosphine-sulfonate-based Nickel Catalysts: Ethylene Polymerization and Copolymerization with Polar-functionalized Norbornenes","Polymer Chemistry","2017","","","","","10.1039/C7PY01661A","","","1.54178","CuKα","","0.1013","0.0579","","","0.126","0.1468","","","","","","1.008","","","","has coordinates,has disorder","203215","2020-10-21","18:00:00",""
"1548060","20.5636","0.0016","12.4414","0.0007","20.1995","0.0014","90","","113.317","0.003","90","","4745.8","0.6","293","2","293","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C54 H50 Ni O5 P2 S -","- C54 H50 Ni O5 P2 S -","- C216 H200 Ni4 O20 P8 S4 -","4","1","","Song, Guangzhi; Pang, Wen-Min; Li, Weimin; Chen, Min; Chen, Changle","Phosphine-sulfonate-based Nickel Catalysts: Ethylene Polymerization and Copolymerization with Polar-functionalized Norbornenes","Polymer Chemistry","2017","","","","","10.1039/C7PY01661A","","","1.54178","CuKα","","0.1367","0.0655","","","0.131","0.157","","","","","","1.053","","","","has coordinates,has disorder","203215","2020-10-21","18:00:00",""
"1548065","11.5604","0.0009","13.805","0.0011","31.203","0.003","90","","93.357","0.002","90","","4971.2","0.7","150","","150","","","","","","","","","8","P 1 21/c 1","-P 2ybc","14","","","","- C34 H73 Al Cl6 Mg2 N O7 Si2 -","- C34 H73 Al Cl6 Mg2 N O7 Si2 -","- C136 H292 Al4 Cl24 Mg8 N4 O28 Si8 -","4","1","","Du, Aobing; Zhang, Zhonghua; Qu, Hongtao; Cui, Zili; Qiao, Lixin; Wang, Longlong; Chai, Jingchao; Lu, Tao; Dong, Shanmu; Dong, Tiantian; Xu, Huimin; Zhou, Xinhong; Cui, Guanglei","An efficient organic magnesium borate based electrolyte with non-nucleophilic characteristic for magnesium sulfur battery","Energy & Environmental Science","2017","","","","","10.1039/C7EE02304A","","","0.71073","MoKα","","0.1659","0.0792","","","0.1816","0.222","","","","","","1.015","","","","has coordinates","203247","2020-10-21","18:00:00",""
"1548066","26.533","0.005","7.3366","0.0014","19.239","0.004","90","","90","","90","","3745.1","1.3","175","","175.01","","","","","","","","","6","P c a 21","P 2c -2ac","29","","","","- C16 H39 Al2 Cl10 Mg2 O8 -","- C16 H39 Al2 Cl10 Mg2 O8 -","- C64 H156 Al8 Cl40 Mg8 O32 -","4","1","","Du, Aobing; Zhang, Zhonghua; Qu, Hongtao; Cui, Zili; Qiao, Lixin; Wang, Longlong; Chai, Jingchao; Lu, Tao; Dong, Shanmu; Dong, Tiantian; Xu, Huimin; Zhou, Xinhong; Cui, Guanglei","An efficient organic magnesium borate based electrolyte with non-nucleophilic characteristic for magnesium sulfur battery","Energy & Environmental Science","2017","","","","","10.1039/C7EE02304A","","","0.71073","MoKα","","0.122","0.1035","","","0.2926","0.3032","","","","","","1.038","","","","has coordinates","203248","2020-10-21","18:00:00",""
"1548067","36.905","0.005","13.215","0.002","20.962","0.003","90","","121.44","0.003","90","","8722","2","173","","173","","","","","","","","","7","C 1 2/c 1","-C 2yc","15","","","","- C48 H68 B2 Cl6 F48 Mg4 O20 -","- C48 H68 B2 Cl6 F48 Mg4 O20 -","- C192 H272 B8 Cl24 F192 Mg16 O80 -","4","0.5","","Du, Aobing; Zhang, Zhonghua; Qu, Hongtao; Cui, Zili; Qiao, Lixin; Wang, Longlong; Chai, Jingchao; Lu, Tao; Dong, Shanmu; Dong, Tiantian; Xu, Huimin; Zhou, Xinhong; Cui, Guanglei","An efficient organic magnesium borate based electrolyte with non-nucleophilic characteristic for magnesium sulfur battery","Energy & Environmental Science","2017","","","","","10.1039/C7EE02304A","","","0.71073","MoKα","","0.0895","0.0538","","","0.1426","0.1683","","","","","","1.025","","","","has coordinates","203249","2020-10-21","18:00:00",""
"1548068","13.389","0.005","14.252","0.005","16.825","0.006","108.785","0.01","90.513","0.01","114.274","0.009","2733.4","1.7","296","2","296.15","","","","","","","","","7","P -1","-P 1","2","","","","- C36 H52 B Cl3 F24 Mg2 O10 -","- C36 H52 B Cl3 F24 Mg2 O10 -","- C72 H104 B2 Cl6 F48 Mg4 O20 -","2","1","","Du, Aobing; Zhang, Zhonghua; Qu, Hongtao; Cui, Zili; Qiao, Lixin; Wang, Longlong; Chai, Jingchao; Lu, Tao; Dong, Shanmu; Dong, Tiantian; Xu, Huimin; Zhou, Xinhong; Cui, Guanglei","An efficient organic magnesium borate based electrolyte with non-nucleophilic characteristic for magnesium sulfur battery","Energy & Environmental Science","2017","","","","","10.1039/C7EE02304A","","","0.71073","MoKα","","0.2889","0.1167","","","0.2898","0.3644","","","","","","0.937","","","","has coordinates,has disorder","203250","2020-10-21","18:00:00",""
"1548109","13.60119","0.00016","13.65014","0.00016","14.87279","0.00015","90","","90","","90","","2761.25","0.05","293","2","293","2","","","","","","","","4","P b a m","-P 2 2ab","55","","Barium Fluoride Orthoborate","","- B7.25 Ba12 F2.25 O21.75 -","- B7.195 Ba12 F2.513 O21.582 -","- B28.78 Ba48 F10.052 O86.328 -","4","0.5","","Rashchenko, Sergey V.; Bekker, Tatyana B.; Bakakin, Vladimir V.; Seryotkin, Yurii V.; Simonova, Ekaterina A.; Goryainov, Sergey V.","New fluoride borate with ‘anti-zeolite’ structure: A possible link to Ba 3 (BO 3 ) 2","Journal of Alloys and Compounds","2017","694","","1196","","10.1016/j.jallcom.2016.10.119","","","0.7107","MoKα","","0.0504","0.0368","","","0.0758","0.082","","","","","","1.058","","","","has coordinates","203309","2020-10-21","18:00:00",""
"1548119","18.06063","0.00019","9.22305","0.00012","20.6152","0.0002","90","","91.6998","0.0009","90","","3432.45","0.07","100","0.1","100","0.1","","","","","","","","3","I 1 2 1","I 2y","5","","","","- C39 H54 O7 -","- C39 H54 O7 -","- C156 H216 O28 -","4","1","","Wei, Yunlong; Wang, Chao; Cheng, Zhongbin; Tian, Xiangge; Jia, Jingming; Cui, Yonglei; Feng, Lei; Sun, Chengpeng; Zhang, Baojing; Ma, Xiaochi","Heterodimeric Diterpenoids Isolated from Euphorbia ebracteolata Roots and Their Inhibitory Effects on α-Glucosidase.","Journal of natural products","2017","80","12","3218","3223","10.1021/acs.jnatprod.7b00595","","x-ray","1.54184","CuKα","","0.0288","0.0282","","","0.073","0.0735","","","","","","1.043","","","","has coordinates","204787","2020-10-21","18:00:00",""
"1548120","10.9006","0.0006","7.8767","0.0005","11.1971","0.0006","90","","118.648","0.002","90","","843.7","0.09","100","2","100","2","","","","","","","","3","P 1 21 1","P 2yb","4","salvifiline A /15-epi-salvifiline A","","","- C20 H22 O7 -","- C20 H22 O7 -","- C40 H44 O14 -","2","1","","Bautista, Elihú; Ortiz-Pastrana, Naytzé; Pastor-Palacios, Guillermo; Montoya-Contreras, Angélica; Toscano, Rubén A; Morales-Jiménez, Jesús; Salazar-Olivo, Luis A; Ortega, Alfredo","neo-Clerodane Diterpenoids from Salvia polystachya Stimulate the Expression of Extracellular Matrix Components in Human Dermal Fibroblasts.","Journal of natural products","2017","80","11","3003","3009","10.1021/acs.jnatprod.7b00591","","","1.54178","CuKα","","0.0321","0.0303","","","0.0724","0.0737","","","","","","1.072","","","","has coordinates,has disorder","203989","2020-10-21","18:00:00",""
"1548121","10.9433","0.0012","7.8994","0.0009","11.2708","0.0017","90","","118.237","0.007","90","","858.4","0.2","150","2","150","2","","","","","","","","3","P 1 21 1","P 2yb","4","Polystachyne G/15-epi-polystachyne G","","","- C20 H22 O8 -","- C20 H22 O8 -","- C40 H44 O16 -","2","1","","Bautista, Elihú; Ortiz-Pastrana, Naytzé; Pastor-Palacios, Guillermo; Montoya-Contreras, Angélica; Toscano, Rubén A; Morales-Jiménez, Jesús; Salazar-Olivo, Luis A; Ortega, Alfredo","neo-Clerodane Diterpenoids from Salvia polystachya Stimulate the Expression of Extracellular Matrix Components in Human Dermal Fibroblasts.","Journal of natural products","2017","80","11","3003","3009","10.1021/acs.jnatprod.7b00591","","","1.54178","CuKα","","0.1919","0.1321","","","0.3358","0.3676","","","","","","1.148","","","","has coordinates,has disorder","203989","2020-10-21","18:00:00",""
"1548122","7.7431","0.0007","14.6879","0.0014","14.9959","0.0014","90","","90","","90","","1705.5","0.3","100","2","100","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","Polystachyne H","","","- C20 H20 O6 -","- C20 H20 O6 -","- C80 H80 O24 -","4","1","","Bautista, Elihú; Ortiz-Pastrana, Naytzé; Pastor-Palacios, Guillermo; Montoya-Contreras, Angélica; Toscano, Rubén A; Morales-Jiménez, Jesús; Salazar-Olivo, Luis A; Ortega, Alfredo","neo-Clerodane Diterpenoids from Salvia polystachya Stimulate the Expression of Extracellular Matrix Components in Human Dermal Fibroblasts.","Journal of natural products","2017","80","11","3003","3009","10.1021/acs.jnatprod.7b00591","","","1.54178","CuKα","","0.0287","0.0284","","","0.075","0.0753","","","","","","1.062","","","","has coordinates","203989","2020-10-21","18:00:00",""
"1548123","14.357","0.004","19.656","0.006","20.951","0.006","70.348","0.005","89.603","0.006","82.381","0.006","5514","3","130","2","130","","","","","","","","","6","P -1","-P 1","2","","","","- C69 H56 N Ni O2.5 P -","- C69 H56 N Ni O2.5 P -","- C276 H224 N4 Ni4 O10 P4 -","4","2","","Fu, Xia; Zhang, Lingjun; Tanaka, Ryo; Shiono, Takeshi; Cai, Zhengguo","Highly Robust Nickel Catalysts Containing Anilinonaphthoquinone Ligand for Copolymerization of Ethylene and Polar Monomers","Macromolecules","2017","50","23","9216","","10.1021/acs.macromol.7b01947","","","0.71073","MoKα","","0.1939","0.0876","","","0.2046","0.242","","","","","","0.873","","","","has coordinates","204877","2020-10-21","18:00:00",""
"1548124","9.3668","0.0009","25.991","0.003","13.6228","0.0012","90","","92.305","0.002","90","","3313.8","0.6","130","2","130","","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C42 H34 N Ni O4 P -","- C42 N Ni O4 P -","- C168 N4 Ni4 O16 P4 -","4","1","","Fu, Xia; Zhang, Lingjun; Tanaka, Ryo; Shiono, Takeshi; Cai, Zhengguo","Highly Robust Nickel Catalysts Containing Anilinonaphthoquinone Ligand for Copolymerization of Ethylene and Polar Monomers","Macromolecules","2017","50","23","9216","","10.1021/acs.macromol.7b01947","","","0.71073","MoKα","","0.0848","0.0505","","","0.1097","0.1247","","","","","","0.997","","","","has coordinates","204877","2020-10-21","18:00:00",""
"1548125","7.7845","0.0007","10.4296","0.0009","11.802","0.001","85.724","0.002","74.803","0.002","69.047","0.002","863.35","0.13","120","2","120","2","","","","","","","","4","P -1","-P 1","2","","","","- C23 H20 N2 O -","- C23 H20 N2 O -","- C46 H40 N4 O2 -","2","1","","Zhu, Zhengbo; Lv, Xin; Anesini, Jason E.; Seidel, Daniel","Synthesis of Polycyclic Imidazolidinones via Amine Redox-Annulation.","Organic letters","2017","19","23","6424","6427","10.1021/acs.orglett.7b03309","","","0.71073","MoKα","","0.076","0.0641","","","0.1444","0.1509","","","","","","1.109","","","","has coordinates","204895","2020-10-21","18:00:00",""
"1548126","10.6445","0.0005","18.8991","0.001","11.1931","0.0006","90","","109.71","0.001","90","","2119.81","0.19","120","2","120","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C29 H24 N2 O -","- C29 H24 N2 O -","- C116 H96 N8 O4 -","4","1","","Zhu, Zhengbo; Lv, Xin; Anesini, Jason E.; Seidel, Daniel","Synthesis of Polycyclic Imidazolidinones via Amine Redox-Annulation.","Organic letters","2017","19","23","6424","6427","10.1021/acs.orglett.7b03309","","","0.71073","MoKα","","0.0627","0.0545","","","0.1343","0.1399","","","","","","1.069","","","","has coordinates","204895","2020-10-21","18:00:00",""
"1548127","13.726","0.003","15.964","0.003","7.7194","0.0015","90","","111.03","0.03","90","","1578.8","0.6","173","2","173","2","","","","","","","","5","C 1 c 1","C -2yc","9","","","","- C18 H17 N O4 S -","- C18 H17 N O4 S -","- C72 H68 N4 O16 S4 -","4","1","","Wu, Yang; Yuan, Chunhao; Wang, Chang; Mao, Biming; Jia, Hao; Gao, Xing; Liao, Jianning; Jiang, Feng; Zhou, Leijie; Wang, Qijun; Guo, Hongchao","Palladium-Catalyzed [5 + 2] Cycloaddition of Vinyloxiranes with Sulfamate-Derived Cyclic Imines To Construct 1,3-Oxazepine Heterocycles.","Organic letters","2017","19","23","6268","6271","10.1021/acs.orglett.7b02704","","","0.71073","MoKα","","0.0367","0.036","","","0.0872","0.0878","","","","","","1.041","","","","has coordinates","204896","2020-10-21","18:00:00",""
"1548128","6.3553","0.0013","14.813","0.003","17.085","0.003","90","","95.7","0.03","90","","1600.4","0.5","173","2","173","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C18 H17 N O5 S -","- C18 H17 N O5 S -","- C72 H68 N4 O20 S4 -","4","1","","Wu, Yang; Yuan, Chunhao; Wang, Chang; Mao, Biming; Jia, Hao; Gao, Xing; Liao, Jianning; Jiang, Feng; Zhou, Leijie; Wang, Qijun; Guo, Hongchao","Palladium-Catalyzed [5 + 2] Cycloaddition of Vinyloxiranes with Sulfamate-Derived Cyclic Imines To Construct 1,3-Oxazepine Heterocycles.","Organic letters","2017","19","23","6268","6271","10.1021/acs.orglett.7b02704","","","0.71073","MoKα","","0.0792","0.0699","","","0.1207","0.1248","","","","","","1.23","","","","has coordinates","204896","2020-10-21","18:00:00",""
"1548129","6.1967","0.0002","11.195","0.0003","12.7835","0.0003","110.691","0.002","92.738","0.002","93.838","0.002","825.33","0.04","173","2","173","2","","","","","","","","5","P -1","-P 1","2","","","","- C18 H17 N O5 S -","- C18 H17 N O5 S -","- C36 H34 N2 O10 S2 -","2","1","","Wu, Yang; Yuan, Chunhao; Wang, Chang; Mao, Biming; Jia, Hao; Gao, Xing; Liao, Jianning; Jiang, Feng; Zhou, Leijie; Wang, Qijun; Guo, Hongchao","Palladium-Catalyzed [5 + 2] Cycloaddition of Vinyloxiranes with Sulfamate-Derived Cyclic Imines To Construct 1,3-Oxazepine Heterocycles.","Organic letters","2017","19","23","6268","6271","10.1021/acs.orglett.7b02704","","","0.71073","MoKα","","0.0587","0.0469","","","0.1101","0.1207","","","","","","1.036","","","","has coordinates","204896","2020-10-21","18:00:00",""
"1548130","5.7561","0.0012","10.135","0.002","20.636","0.004","90","","90","","90","","1203.9","0.4","173","2","173","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C12 H13 N O4 S -","- C12 H13 N O4 S -","- C48 H52 N4 O16 S4 -","4","1","","Wu, Yang; Yuan, Chunhao; Wang, Chang; Mao, Biming; Jia, Hao; Gao, Xing; Liao, Jianning; Jiang, Feng; Zhou, Leijie; Wang, Qijun; Guo, Hongchao","Palladium-Catalyzed [5 + 2] Cycloaddition of Vinyloxiranes with Sulfamate-Derived Cyclic Imines To Construct 1,3-Oxazepine Heterocycles.","Organic letters","2017","19","23","6268","6271","10.1021/acs.orglett.7b02704","","","0.71073","MoKα","","0.0799","0.0587","","","0.1004","0.1081","","","","","","1.122","","","","has coordinates","204896","2020-10-21","18:00:00",""
"1548135","16.144","0.004","12.088","0.003","24.02","0.006","90","","93.228","0.005","90","","4680","2","130","2","130","2","","","","","","","","8","P 1 21/c 1","-P 2ybc","14","[Tp(Pr)MoO(OPh)(mu-S)Cu(Me3TACN)]","","","- C35 H57 B Cu Mo N10 O2 S -","- C35 H57 B Cu Mo N10 O2 S -","- C140 H228 B4 Cu4 Mo4 N40 O8 S4 -","4","1","","Gourlay, Craig; Nielsen, David John; Evans, David J.; White, Jonathan; Young, Charles Graham","Models for Aerobic Carbon Monoxide Dehydrogenase: Synthesis, Characterization and Reactivity of Paramagnetic MoVO(μ-S)CuI Complexes","Chemical Science","2017","","","","","10.1039/C7SC04239F","","","0.71073","MoKα","","0.1864","0.0814","","","0.1789","0.2075","","","","","","0.819","","","","has coordinates,has disorder","203402","2020-10-21","18:00:00",""
"1548136","11.6337","0.0018","27.995","0.004","14.248","0.002","90","","106.27","0.004","90","","4454.5","1.1","130","2","130","2","","","","","","","","8","P 1 21/n 1","-P 2yn","14","[Tp(Pr)MoO(OC6H4-2-tBu)(mu-S)Cu(Me3TACN)]","","","- C39 H65 B Cu Mo N10 O2 S -","- C39 H65 B Cu Mo N10 O2 S -","- C156 H260 B4 Cu4 Mo4 N40 O8 S4 -","4","1","","Gourlay, Craig; Nielsen, David John; Evans, David J.; White, Jonathan; Young, Charles Graham","Models for Aerobic Carbon Monoxide Dehydrogenase: Synthesis, Characterization and Reactivity of Paramagnetic MoVO(μ-S)CuI Complexes","Chemical Science","2017","","","","","10.1039/C7SC04239F","","","0.71073","MoKα","","0.193","0.0686","","","0.0934","0.1229","","","","","","0.74","","","","has coordinates","203402","2020-10-21","18:00:00",""
"1548137","16.5","0.016","27.26","0.03","13.249","0.014","90","","90","","90","","5959","11","130","2","130","2","","","","","","","","8","P n a 21","P 2c -2n","33","[Tp(Pr)MoO(OC6H4-4-Ph)(mu-S)Cu(Me3TACN)]","","","- C43 H64 B Cu Mo N11 O2 S -","- C43 H64 B Cu Mo N11 O2 S -","- C172 H256 B4 Cu4 Mo4 N44 O8 S4 -","4","1","","Gourlay, Craig; Nielsen, David John; Evans, David J.; White, Jonathan; Young, Charles Graham","Models for Aerobic Carbon Monoxide Dehydrogenase: Synthesis, Characterization and Reactivity of Paramagnetic MoVO(μ-S)CuI Complexes","Chemical Science","2017","","","","","10.1039/C7SC04239F","","","0.71073","MoKα","","0.087","0.0395","","","0.0594","0.0642","","","","","","0.685","","","","has coordinates","203402","2020-10-21","18:00:00",""
"1548138","22.477","0.003","11.9547","0.0018","39.141","0.007","90","","92.546","0.009","90","","10507","3","130","0.2","130","0.2","","","","","","","","8","i_1_2/c_1","-I 2yc","15","[Tp(Pr)MoO(OC6H4-2-sBu)(mu-S)Cu(Me3TACN)]","","","- C39 H65 B Cu Mo N10 O2 S -","- C39 H65 B Cu Mo N10 O2 S -","- C312 H520 B8 Cu8 Mo8 N80 O16 S8 -","8","","","Gourlay, Craig; Nielsen, David John; Evans, David J.; White, Jonathan; Young, Charles Graham","Models for Aerobic Carbon Monoxide Dehydrogenase: Synthesis, Characterization and Reactivity of Paramagnetic MoVO(μ-S)CuI Complexes","Chemical Science","2017","","","","","10.1039/C7SC04239F","","","0.71073","MoKα","","0.1858","0.0744","","","0.1477","0.1865","","","","","","0.845","","","","has coordinates,has disorder","203402","2020-10-21","18:00:00",""
"1548140","24.2616","0.0018","7.3548","0.0005","26.7947","0.0019","90","","108.147","0.008","90","","4543.4","0.6","193","2","193","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","5-hydroxy-3-(hydroxy(5-(4-methylpent-3-en-1-yl)-1,2,3,6- tetrahydro-[1,1'-biphenyl]-2-yl)methylene)-6-methoxycyclohex-5 -ene-1,2,4-trione","","- C26 H28 O6 -","- C26 H28 O6 -","- C208 H224 O48 -","8","2","","Gény, Charlotte; Abou Samra, Alma; Retailleau, Pascal; Iorga, Bogdan I.; Nedev, Hristo; Awang, Khalijah; Roussi, Fanny; Litaudon, Marc; Dumontet, Vincent","(+)- and (-)-Ecarlottones, Uncommon Chalconoids from Fissistigma latifolium with Pro-Apoptotic Activity.","Journal of natural products","2017","80","12","3179","3185","10.1021/acs.jnatprod.7b00494","","","1.54187","CuKα","","0.1095","0.0669","","","0.1387","0.1602","","","","","","1.031","","","","has coordinates","204791","2020-10-21","18:00:00",""
"1548146","18.4018","0.0006","17.2253","0.0004","18.0341","0.0006","90","","113.208","0.004","90","","5253.8","0.3","120","0.1","120","0.1","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C22 H32 F3 N4 Na O8 -","- C22 H32 F3 N4 Na O8 -","- C176 H256 F24 N32 Na8 O64 -","8","1","","Dranka, Maciej; Żukowska, Grażyna Z.; Jankowski, Piotr; Plewa-Marczewska, Anna; Trzeciak, Tomasz; Zachara, Janusz","Coordination Abilities of 4,5-Dicyano-2-(trifluoromethyl)imidazolate Anion toward Sodium Cation: Structural and Spectroscopic Studies of Solid and Liquid Glyme-Solvated Electrolyte Systems","The Journal of Physical Chemistry C","2017","121","48","26713","","10.1021/acs.jpcc.7b09705","","x-ray","0.71073","MoKα","","0.0563","0.0394","","","0.0846","0.0932","","","","","","1.022","","","","has coordinates,has disorder","204873","2020-10-21","18:00:00",""
"1548147","9.52266","0.00009","9.79219","0.0001","21.7134","0.0002","90","","90","","90","","2024.72","0.03","100","0.3","100","0.3","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C16 H20 F3 N4 Na O5 -","- C16 H20 F3 N4 Na O5 -","- C64 H80 F12 N16 Na4 O20 -","4","1","","Dranka, Maciej; Żukowska, Grażyna Z.; Jankowski, Piotr; Plewa-Marczewska, Anna; Trzeciak, Tomasz; Zachara, Janusz","Coordination Abilities of 4,5-Dicyano-2-(trifluoromethyl)imidazolate Anion toward Sodium Cation: Structural and Spectroscopic Studies of Solid and Liquid Glyme-Solvated Electrolyte Systems","The Journal of Physical Chemistry C","2017","121","48","26713","","10.1021/acs.jpcc.7b09705","","x-ray","0.71073","MoKα","","0.0226","0.022","","","0.0578","0.0584","","","","","","1.074","","","","has coordinates","204873","2020-10-21","18:00:00",""
"1548148","9.2466","0.0004","17.7798","0.0008","14.7018","0.0007","90","","102.101","0.004","90","","2363.31","0.19","200","0.1","200","0.1","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C18 H24 F3 N4 Na O6 -","- C18 H24 F3 N4 Na O6 -","- C72 H96 F12 N16 Na4 O24 -","4","1","","Dranka, Maciej; Żukowska, Grażyna Z.; Jankowski, Piotr; Plewa-Marczewska, Anna; Trzeciak, Tomasz; Zachara, Janusz","Coordination Abilities of 4,5-Dicyano-2-(trifluoromethyl)imidazolate Anion toward Sodium Cation: Structural and Spectroscopic Studies of Solid and Liquid Glyme-Solvated Electrolyte Systems","The Journal of Physical Chemistry C","2017","121","48","26713","","10.1021/acs.jpcc.7b09705","","x-ray","0.71073","MoKα","","0.0558","0.0391","","","0.0866","0.0957","","","","","","1.032","","","","has coordinates,has disorder","204873","2020-10-21","18:00:00",""
"1548149","15.02929","0.00014","22.3663","0.0002","25.749","0.0002","90.0006","0.0008","90.0093","0.0007","102.862","0.0008","8438.34","0.13","100","0.4","100","0.4","","","","","","","","6","P -1","-P 1","2","","","","- C16 H22 F3 N4 Na O5 -","- C16 H22 F3 N4 Na O5 -","- C256 H352 F48 N64 Na16 O80 -","16","8","","Dranka, Maciej; Żukowska, Grażyna Z.; Jankowski, Piotr; Plewa-Marczewska, Anna; Trzeciak, Tomasz; Zachara, Janusz","Coordination Abilities of 4,5-Dicyano-2-(trifluoromethyl)imidazolate Anion toward Sodium Cation: Structural and Spectroscopic Studies of Solid and Liquid Glyme-Solvated Electrolyte Systems","The Journal of Physical Chemistry C","2017","121","48","26713","","10.1021/acs.jpcc.7b09705","","x-ray","1.54184","CuKα","","0.0593","0.0558","","","0.1497","0.1541","","","","","","1.013","","","","has coordinates,has disorder","282761","2023-04-20","06:46:01",""
"1548150","9.3885","0.0002","10.2919","0.0003","10.7572","0.0003","82.713","0.002","67.371","0.002","74.624","0.002","924.7","0.05","100","0.1","100","0.1","","","","","","","","6","P -1","-P 1","2","","","","- C28 H36 F6 N8 Na2 O8 -","- C28 H36 F6 N8 Na2 O8 -","- C28 H36 F6 N8 Na2 O8 -","1","0.5","","Dranka, Maciej; Żukowska, Grażyna Z.; Jankowski, Piotr; Plewa-Marczewska, Anna; Trzeciak, Tomasz; Zachara, Janusz","Coordination Abilities of 4,5-Dicyano-2-(trifluoromethyl)imidazolate Anion toward Sodium Cation: Structural and Spectroscopic Studies of Solid and Liquid Glyme-Solvated Electrolyte Systems","The Journal of Physical Chemistry C","2017","121","48","26713","","10.1021/acs.jpcc.7b09705","","x-ray","0.71073","MoKα","","0.0323","0.029","","","0.0727","0.0756","","","","","","1.033","","","","has coordinates","204873","2020-10-21","18:00:00",""
"1548151","20.2366","0.0003","9.67468","0.00017","16.1201","0.0002","90","","96.6933","0.0014","90","","3134.52","0.08","100","0.1","100","0.1","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C12 H14 F3 N4 Na O3 -","- C12 H14 F3 N4 Na O3 -","- C96 H112 F24 N32 Na8 O24 -","8","2","","Dranka, Maciej; Żukowska, Grażyna Z.; Jankowski, Piotr; Plewa-Marczewska, Anna; Trzeciak, Tomasz; Zachara, Janusz","Coordination Abilities of 4,5-Dicyano-2-(trifluoromethyl)imidazolate Anion toward Sodium Cation: Structural and Spectroscopic Studies of Solid and Liquid Glyme-Solvated Electrolyte Systems","The Journal of Physical Chemistry C","2017","121","48","26713","","10.1021/acs.jpcc.7b09705","","x-ray","0.71073","MoKα","","0.0374","0.0305","","","0.0791","0.0838","","","","","","1.03","","","","has coordinates","204873","2020-10-21","18:00:00",""
"1548152","37.2006","0.0003","12.80126","0.00012","7.46127","0.00007","90","","90","","90","","3553.17","0.06","100","2","100","0.1","","","","","","","","6","P 21 21 2","P 2 2ab","18","","","","- C26 H20 F9 N12 Na3 O4 -","- C26 H20 F9 N12 Na3 O4 -","- C104 H80 F36 N48 Na12 O16 -","4","1","","Dranka, Maciej; Żukowska, Grażyna Z.; Jankowski, Piotr; Plewa-Marczewska, Anna; Trzeciak, Tomasz; Zachara, Janusz","Coordination Abilities of 4,5-Dicyano-2-(trifluoromethyl)imidazolate Anion toward Sodium Cation: Structural and Spectroscopic Studies of Solid and Liquid Glyme-Solvated Electrolyte Systems","The Journal of Physical Chemistry C","2017","121","48","26713","","10.1021/acs.jpcc.7b09705","","x-ray","0.71073","MoKα","","0.038","0.0377","","","0.0983","0.0986","","","","","","1.114","","","","has coordinates,has disorder","204873","2020-10-21","18:00:00",""
"1548153","16.0906","0.0002","8.8916","0.0001","16.8789","0.0002","90","","94.97","0.001","90","","2405.8","0.05","100","0.2","100","0.2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C10 H8 F3 N4 Na O -","- C10 H8 F3 N4 Na O -","- C80 H64 F24 N32 Na8 O8 -","8","2","","Dranka, Maciej; Żukowska, Grażyna Z.; Jankowski, Piotr; Plewa-Marczewska, Anna; Trzeciak, Tomasz; Zachara, Janusz","Coordination Abilities of 4,5-Dicyano-2-(trifluoromethyl)imidazolate Anion toward Sodium Cation: Structural and Spectroscopic Studies of Solid and Liquid Glyme-Solvated Electrolyte Systems","The Journal of Physical Chemistry C","2017","121","48","26713","","10.1021/acs.jpcc.7b09705","","x-ray","1.54184","CuKα","","0.0349","0.0313","","","0.0841","0.0875","","","","","","1.055","","","","has coordinates,has disorder","282761","2023-04-20","06:46:01",""
"1548154","14.416","0.0011","14.7963","0.0012","17.426","0.0013","76.484","0.001","70.21","0.002","85.968","0.001","3400.5","0.5","192","2","192","2","","","","","","","","6","P -1","-P 1","2","","","","- C33.5 H49 Cl2 Fe N2 O2 -","- C33.5 H49 Cl2 Fe N2 O2 -","- C134 H196 Cl8 Fe4 N8 O8 -","4","2","","Duan, Ranlong; Hu, Chenyang; Li, Xiang; Pang, Xuan; Sun, Zhiqiang; Chen, Xuesi; Wang, Xianhong","Air-Stable Salen‒Iron Complexes: Stereoselective Catalysts for Lactide and ε-Caprolactone Polymerization through in Situ Initiation","Macromolecules","2017","50","23","9188","","10.1021/acs.macromol.7b01766","","","0.71073","","","0.1003","0.0639","","","0.1544","0.1782","","","","","","1.037","","","","has coordinates,has disorder","217275","2020-10-21","18:00:00",""
"1548155","13.6653","0.0008","23.8896","0.0013","10.7995","0.0006","90","","99.536","0.001","90","","3476.9","0.3","296","2","296","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C36 H52 Cl Fe N2 O2 -","- C36 H52 Cl Fe N2 O2 -","- C144 H208 Cl4 Fe4 N8 O8 -","4","1","","Duan, Ranlong; Hu, Chenyang; Li, Xiang; Pang, Xuan; Sun, Zhiqiang; Chen, Xuesi; Wang, Xianhong","Air-Stable Salen‒Iron Complexes: Stereoselective Catalysts for Lactide and ε-Caprolactone Polymerization through in Situ Initiation","Macromolecules","2017","50","23","9188","","10.1021/acs.macromol.7b01766","","","0.71073","","","0.0798","0.0695","","","0.1658","0.17","","","","","","1.002","","","","has coordinates,has disorder","204876","2020-10-21","18:00:00",""
"1548156","15.5968","0.0006","38.1771","0.0015","11.0526","0.0005","90","","90","","90","","6581.2","0.5","296","2","296","2","","","","","","","","6","P c c n","-P 2ab 2ac","56","","","","- C32 H46 Cl Fe N2 O2 -","- C30.815 Cl Fe N2 O2 -","- C246.52 Cl8 Fe8 N16 O16 -","8","1","","Duan, Ranlong; Hu, Chenyang; Li, Xiang; Pang, Xuan; Sun, Zhiqiang; Chen, Xuesi; Wang, Xianhong","Air-Stable Salen‒Iron Complexes: Stereoselective Catalysts for Lactide and ε-Caprolactone Polymerization through in Situ Initiation","Macromolecules","2017","50","23","9188","","10.1021/acs.macromol.7b01766","","","0.71073","","","0.0783","0.0587","","","0.1484","0.1602","","","","","","1.037","","","","has coordinates,has disorder","204876","2020-10-21","18:00:00",""
"1548278","6.618","0.0001","11.0447","0.0001","9.5463","0.0001","90","","97.521","0.001","90","","691.773","0.014","133","2","133","2","","","","","","","","3","P 1 21 1","P 2yb","4","","","","- C18 H18 O4 -","- C18 H18 O4 -","- C36 H36 O8 -","2","1","","Fan, Yao-Yue; Xu, Jin-Biao; Liu, Hong-Chun; Gan, Li-She; Ding, Jian; Yue, Jian-Min","Cephanolides A-J, Cephalotane-Type Diterpenoids from Cephalotaxus sinensis.","Journal of natural products","2017","80","12","3159","3166","10.1021/acs.jnatprod.7b00412","","","1.54178","CuKα","","0.0292","0.0291","","","0.0734","0.0735","","","","","","1.088","","","","has coordinates","204786","2020-10-21","18:00:00",""
"1548279","9.3421","0.0001","19.9924","0.0002","9.4989","0.0001","90","","101.955","0.001","90","","1735.64","0.03","140","2","140","2","","","","","","","","3","P 1 21 1","P 2yb","4","","","","- C20 H26 O7 -","- C20 H24 O7 -","- C80 H96 O28 -","4","2","","Fan, Yao-Yue; Xu, Jin-Biao; Liu, Hong-Chun; Gan, Li-She; Ding, Jian; Yue, Jian-Min","Cephanolides A-J, Cephalotane-Type Diterpenoids from Cephalotaxus sinensis.","Journal of natural products","2017","80","12","3159","3166","10.1021/acs.jnatprod.7b00412","","","1.54178","CuKα","","0.044","0.0432","","","0.1197","0.1206","","","","","","1.054","","","","has coordinates","204786","2020-10-21","18:00:00",""
"1548280","6.6645","0.0002","14.5838","0.0005","16.6379","0.0005","90","","90","","90","","1617.1","0.09","296","2","296","","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C20 H26 O3 -","- C20 H26 O3 -","- C80 H104 O12 -","4","1","","Fan, Yao-Yue; Xu, Jin-Biao; Liu, Hong-Chun; Gan, Li-She; Ding, Jian; Yue, Jian-Min","Cephanolides A-J, Cephalotane-Type Diterpenoids from Cephalotaxus sinensis.","Journal of natural products","2017","80","12","3159","3166","10.1021/acs.jnatprod.7b00412","","","1.54178","CuKα","","0.0385","0.0375","","","0.1008","0.1021","","","","","","1.056","","","","has coordinates","204786","2020-10-21","18:00:00",""
"1548281","10.5798","0.0002","11.3154","0.0002","12.4063","0.0002","90","","90","","90","","1485.22","0.05","296","2","296","","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C19 H18 O4 -","- C19 H18 O4 -","- C76 H72 O16 -","4","1","","Fan, Yao-Yue; Xu, Jin-Biao; Liu, Hong-Chun; Gan, Li-She; Ding, Jian; Yue, Jian-Min","Cephanolides A-J, Cephalotane-Type Diterpenoids from Cephalotaxus sinensis.","Journal of natural products","2017","80","12","3159","3166","10.1021/acs.jnatprod.7b00412","","","1.54178","CuKα","","0.038","0.0357","","","0.1089","0.1125","","","","","","0.946","","","","has coordinates","204786","2020-10-21","18:00:00",""
"1548282","9.8726","0.0001","12.6801","0.0001","18.1414","0.0002","90","","92.315","0.001","90","","2269.19","0.04","150","0.1","150","0.1","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C20 H21 N O4 -","- C20 H21 N O4 -","- C80 H84 N4 O16 -","4","1","","Yan, Qiao; Ma, Xiang; Banwell, Martin G.; Ward, Jas S.","Total Synthesis of the Marine Alkaloid Discoipyrrole C via the MoOPH-Mediated Oxidation of a 2,3,5-Trisubstituted Pyrrole.","Journal of natural products","2017","80","12","3305","3313","10.1021/acs.jnatprod.7b00872","","x-ray","1.54184","CuKα","","0.0367","0.0342","","","0.0896","0.0917","","","","","","1.05","","","","has coordinates","204788","2020-10-21","18:00:00",""
"1548283","19.2834","0.0019","10.8405","0.0009","24.0533","0.0013","90","","90.22","0.007","90","","5028.1","0.7","149.99","0.1","149.99","0.1","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C50 H60 N2 O6 -","- C50 H60 N2 O6 -","- C200 H240 N8 O24 -","4","1","","Yan, Qiao; Ma, Xiang; Banwell, Martin G.; Ward, Jas S.","Total Synthesis of the Marine Alkaloid Discoipyrrole C via the MoOPH-Mediated Oxidation of a 2,3,5-Trisubstituted Pyrrole.","Journal of natural products","2017","80","12","3305","3313","10.1021/acs.jnatprod.7b00872","","x-ray","1.54184","CuKα","","0.1692","0.1138","","","0.3275","0.3803","","","","","","1.13","","","","has coordinates,has disorder","204788","2020-10-21","18:00:00",""
"1548284","21.8292","0.0003","15.8674","0.0002","12.3179","0.0002","90","","91.099","0.001","90","","4265.8","0.11","150","0.1","150","0.1","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C23 H27 N O4 -","- C23 H27 N O4 -","- C184 H216 N8 O32 -","8","1","","Yan, Qiao; Ma, Xiang; Banwell, Martin G.; Ward, Jas S.","Total Synthesis of the Marine Alkaloid Discoipyrrole C via the MoOPH-Mediated Oxidation of a 2,3,5-Trisubstituted Pyrrole.","Journal of natural products","2017","80","12","3305","3313","10.1021/acs.jnatprod.7b00872","","x-ray","1.54184","CuKα","","0.0395","0.0358","","","0.0953","0.0987","","","","","","1.03","","","","has coordinates","204788","2020-10-21","18:00:00",""
"1548285","12.4371","0.0001","14.4844","0.0001","22.3921","0.0002","90","","98.146","0.001","90","","3993.1","0.06","150.01","0.1","150.01","0.1","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C22 H25 N O4 -","- C22 H25 N O4 -","- C176 H200 N8 O32 -","8","2","","Yan, Qiao; Ma, Xiang; Banwell, Martin G.; Ward, Jas S.","Total Synthesis of the Marine Alkaloid Discoipyrrole C via the MoOPH-Mediated Oxidation of a 2,3,5-Trisubstituted Pyrrole.","Journal of natural products","2017","80","12","3305","3313","10.1021/acs.jnatprod.7b00872","","x-ray","1.54184","CuKα","","0.0443","0.0386","","","0.1005","0.1046","","","","","","1.03","","","","has coordinates,has disorder","204788","2020-10-21","18:00:00",""
"1548286","9.2101","0.0003","20.2873","0.0007","21.287","0.0011","90","","96.731","0.004","90","","3950","0.3","150.01","0.1","150.01","0.1","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C22 H25 N O4 -","- C22 H25 N O4 -","- C176 H200 N8 O32 -","8","2","","Yan, Qiao; Ma, Xiang; Banwell, Martin G.; Ward, Jas S.","Total Synthesis of the Marine Alkaloid Discoipyrrole C via the MoOPH-Mediated Oxidation of a 2,3,5-Trisubstituted Pyrrole.","Journal of natural products","2017","80","12","3305","3313","10.1021/acs.jnatprod.7b00872","","x-ray","0.71073","MoKα","","0.0904","0.0477","","","0.101","0.1194","","","","","","1.025","","","","has coordinates","204788","2020-10-21","18:00:00",""
"1548287","6.662","0.0006","11.5786","0.0011","25.333","0.002","90","","90","","90","","1954.1","0.3","100","","100","","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C22 H32 O5 -","- C22 H32 O5 -","- C88 H128 O20 -","4","1","","Endo, Yuta; Kasahara, Taku; Harada, Kenicni; Kubo, Miwa; Etoh, Tadahiro; Ishibashi, Masami; Ishiyama, Aki; Iwatsuki, Masato; Otoguro, Kazuhiko; O Mura, Satoshi; Akisue, Gokithi; Hirano, Tomoya; Kagechika, Hiroyuki; Fukuyama, Yoshiyasu; Ohsaki, Ayumi","Sucupiranins A-L, Furanocassane Diterpenoids from the Seeds of Bowdichia virgilioides.","Journal of natural products","2017","80","12","3120","3127","10.1021/acs.jnatprod.7b00249","","","0.71073","MoK/a","","0.0497","0.0444","","","0.0915","0.0967","","","","","","2.555","","","","has coordinates","275205","2022-05-07","03:35:09",""
"1548288","7.764","0.0007","10.8733","0.001","24.687","0.002","90","","90","","90","","2084.1","0.3","100","","100","","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C23 H28 O7 -","- C23 H28 O7 -","- C92 H112 O28 -","4","1","","Endo, Yuta; Kasahara, Taku; Harada, Kenicni; Kubo, Miwa; Etoh, Tadahiro; Ishibashi, Masami; Ishiyama, Aki; Iwatsuki, Masato; Otoguro, Kazuhiko; O Mura, Satoshi; Akisue, Gokithi; Hirano, Tomoya; Kagechika, Hiroyuki; Fukuyama, Yoshiyasu; Ohsaki, Ayumi","Sucupiranins A-L, Furanocassane Diterpenoids from the Seeds of Bowdichia virgilioides.","Journal of natural products","2017","80","12","3120","3127","10.1021/acs.jnatprod.7b00249","","","0.71073","MoKα","","0.0511","0.0468","","","0.1127","0.1134","","","","","","3.193","","","","has coordinates","204789","2020-10-21","18:00:00",""
"1548289","14.3972","0.0004","6.525","0.0002","15.8944","0.0005","90","","110.13","0.003","90","","1401.94","0.08","99.9","0.2","99.9","0.2","","","","","","","","3","P 1 21 1","P 2yb","4","","","","- C28 H48 O7 -","- C28 H48 O7 -","- C56 H96 O14 -","2","1","","Woo, Jung-Kyun; Ha, Thi Kim Quy; Oh, Dong-Chan; Oh, Won-Keun; Oh, Ki-Bong; Shin, Jongheon","Polyoxygenated Steroids from the Sponge Clathria gombawuiensis.","Journal of natural products","2017","80","12","3224","3233","10.1021/acs.jnatprod.7b00651","","x-ray","1.54184","CuKα","","0.066","0.061","","","0.1847","0.1927","","","","","","1.519","","","","has coordinates","204792","2020-10-21","18:00:00",""
"1548290","7.4908","0.0008","11.994","0.0009","12.0878","0.0012","65.066","0.005","83.917","0.008","77.77","0.007","962.28","0.16","133","2","133","2","","","","","","","","6","P -1","-P 1","2","","","","- C20 H10 B F2 N3 S4 -","- C20 H10 B F2 N3 S4 -","- C40 H20 B2 F4 N6 S8 -","2","1","","Guo, Changxiang; Li, Mengwei; Yuan, Wei; Wang, Kai; Zou, Bo; Chen, Yulan","Tuning the Mechanochromic Luminescence of BOPIM Complexes by Rational Introduction of Aromatic Substituents","The Journal of Physical Chemistry C","2017","121","48","27009","","10.1021/acs.jpcc.7b09667","","","0.71073","MoKα","","0.0431","0.0417","","","0.1214","0.1228","","","","","","1.061","","","","has coordinates","204874","2020-10-21","18:00:00",""
"1548291","9.4685","0.0014","12.8918","0.0018","12.7084","0.0019","90","","101.357","0.003","90","","1520.9","0.4","113","2","113.15","","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C16 H10 B F2 N3 S2 -","- C16 H10 B F2 N3 S2 -","- C64 H40 B4 F8 N12 S8 -","4","1","","Guo, Changxiang; Li, Mengwei; Yuan, Wei; Wang, Kai; Zou, Bo; Chen, Yulan","Tuning the Mechanochromic Luminescence of BOPIM Complexes by Rational Introduction of Aromatic Substituents","The Journal of Physical Chemistry C","2017","121","48","27009","","10.1021/acs.jpcc.7b09667","","","0.71073","MoKα","","0.0374","0.033","","","0.0943","0.0957","","","","","","1.077","","","","has coordinates,has disorder","204874","2020-10-21","18:00:00",""
"1548328","7.3007","0.0019","10.496","0.007","10.861","0.001","70.26","0.08","77","0.06","81.658","0.01","761.1","0.7","295","2","295","2","","","","","","","","4","P 1","P 1","1","","","","- C20 H17 N O2 -","- C20 H17 N O2 -","- C40 H34 N2 O4 -","2","2","","Zhang, Dewu; Guo, Jiamei; Zhang, Min; Liu, Xiao; Ba, Mingyu; Tao, Xiaoyu; Yu, Liyan; Guo, Ying; Dai, Jungui","Oxazole-Containing Diterpenoids from Cell Cultures of Salvia miltiorrhiza and Their Anti-HIV-1 Activities.","Journal of natural products","2017","80","12","3241","3246","10.1021/acs.jnatprod.7b00659","","","1.54178","CuKα","","0.0457","0.0455","","","0.1175","0.1184","","","","","","1.043","","","","has coordinates","204790","2020-10-21","18:00:00",""
"1548339","9.2188","0.0009","28.76","0.003","9.2188","0.0009","90","","112.73","","90","","2254.4","0.4","293","2","293","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C10 H27 Al2 N2 O15 P3 -","- C10 H27 Al2 N2 O15 P3 -","- C40 H108 Al8 N8 O60 P12 -","4","1","","Jiancong Liu; Ning Wang; Yue Yu; Yan Yan; Hongyue Zhang; Jiyang Li; Jihong Yu","Carbon dots in zeolites: A new class of thermally activated delayed fluorescence materials with ultralong lifetimes","Science Advances","2017","3","","1603171","","10.1126/sciadv.1603171","","","0.71073","MoKα","","0.1012","0.0784","","","0.2103","0.2295","","","","","","0.956","","","","has coordinates","203824","2020-10-21","18:00:00",""
"1548344","3.19186","0.00002","3.19186","0.00002","5.18498","0.00004","90","","90","","120","","45.7473","0.0005","299","2","299","2","","","","","","","","4","P 63 m c","P 6c -2c","186","","","","- Ga0.3333 Ge0.3333 N Zn0.3333 -","- Ga0.3333 Ge0.3333 N Zn0.3333 -","- Ga0.6666 Ge0.6666 N2 Zn0.6666 -","2","0.166667","","Suehiro, Takayuki; Tansho, Masataka; Shimizu, Tadashi","Quaternary Wurtzitic Nitrides in the System ZnGeN2‒GaN: Powder Synthesis, Characterization, and Potentiality as a Photocatalyst","The Journal of Physical Chemistry C","2017","121","49","27590","","10.1021/acs.jpcc.7b09135","powder diffraction","","1.54059","CuKα~1~","","0.01336","","","","","","0.01207","0.0237","1.1743","","","","","","","has coordinates","204875","2020-10-21","18:00:00",""
"1548348","7.232","","11.76","","17.16","","90","","90","","90","","1459.43","","100","","100","","","","","","","","","4","P c a b","-P 2bc 2ac","61","paracetamol","N-(4-hydroxyfenyl)ethanamid","","- C8 H9 N O2 -","- C8 H9 N O2 -","- C64 H72 N8 O16 -","8","1","","Palatinus, Lukáš; Brázda, Petr; Boullay, Philippe; Perez, Olivier; Klementová, Mariana; Petit, Sebastien; Eigner, Václav; Zaarour, Moussa; Mintova, Svetlana","Hydrogen positions in single nanocrystals revealed by electron diffraction","Science","2017","355","6321","166","169","10.1126/science.aak9652","","electron","0.0335","electron","","0.1845","0.0906","","","0.0931","0.0976","","","","3.73","3.73","2.63","","","","has coordinates","203860","2020-10-21","18:00:00",""
"1548349","8.4589","0.0006","16.5069","0.0005","5.0726","0.0002","90","","90.086","0.005","90","","708.29","0.06","94.98","0.1","94.98","","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- Al2 Co1.13 H11.223 O20 P4 -","- Al2 Co1.129 H11.224 O20 P4 -","- Al4 Co2.258 H22.448 O40 P8 -","2","0.5","","Palatinus, Lukáš; Brázda, Petr; Boullay, Philippe; Perez, Olivier; Klementová, Mariana; Petit, Sebastien; Eigner, Václav; Zaarour, Moussa; Mintova, Svetlana","Hydrogen positions in single nanocrystals revealed by electron diffraction","Science","2017","355","6321","166","169","10.1126/science.aak9652","","x-ray","0.71073","MoKα","","0.0423","0.0306","","","0.0305","0.0322","","","","1.44","1.44","1.39","","","","has coordinates","203861","2020-10-21","18:00:00",""
"1548350","8.395","0.005","16.3","0.03","5.033","0.007","90","","90.44","0.11","90","","688.7","1.6","100","","100","","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- Al2 Co1.224 H10.954 O20 P4 -","- Al2 Co1.224 H10.956 O20 P4 -","- Al4 Co2.448 H21.912 O40 P8 -","2","0.5","","Palatinus, Lukáš; Brázda, Petr; Boullay, Philippe; Perez, Olivier; Klementová, Mariana; Petit, Sebastien; Eigner, Václav; Zaarour, Moussa; Mintova, Svetlana","Hydrogen positions in single nanocrystals revealed by electron diffraction","Science","2017","355","6321","166","169","10.1126/science.aak9652","","electron","0.0335","electron","","0.1799","0.1072","","","0.1057","0.1088","","","","4.53","4.53","3.49","","","","has coordinates","203862","2020-10-21","18:00:00",""
"1548361","5.3618","0.0006","15.15","0.002","10.5728","0.0011","90","","92.826","0.009","90","","857.8","0.17","100","0.1","100","0.1","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C8 H12 O4 -","- C8 H12 O4 -","- C32 H48 O16 -","4","1","","Gérardy, Romaric; Winter, Marc; Horn, Clemens R.; Vizza, Alessandra; Van Hecke, Kristof; Monbaliu, Jean-Christophe M.","Continuous-Flow Preparation of γ-Butyrolactone Scaffolds from Renewable Fumaric and Itaconic Acids under Photosensitized Conditions","Organic Process Research & Development","2017","21","12","2012","","10.1021/acs.oprd.7b00314","","x-ray","1.54184","CuKα","","0.099","0.0756","","","0.1691","0.1956","","","","","","1.099","","","","has coordinates,has disorder","204879","2020-10-21","18:00:00",""
"1548369","26.009","0.004","26.009","0.004","9.8065","0.0017","90","","90","","120","","5745","1.6","173","2","173","2","","","","","","","","4","P 63/m","-P 6c","176","[Th3(bptc)3(O)(H2O)3.78][(Cl)(C5H14N3Cl)(H2O)8]","","","- C15 H7 O7.59 Th -","- C15 H7 O7.59333 Th -","- C90 H42 O45.56 Th6 -","6","0.5","","Yuxiang Li; Zaixing Yang; Yanlong Wang; Zhuanling Bai; Tao Zheng; Xing Dai; Shengtang Liu; Daxiang Gui; Wei Liu; Meng Chen; Lanhua Chen; Juan Diwu; Lingyan Zhu; Ruhong Zhou; Zhifang Chai; Thomas E. Albrecht-Schmitt; Shuao Wang","A mesoporous cationic thorium-organic framework that rapidly traps anionic persistent organic pollutants","Nature Communications","2017","8","","1354","","10.1038/s41467-017-01208-w","","","0.71073","MoKα","","0.0777","0.0764","","","0.1895","0.1903","","","","","","1.103","","","","has coordinates,has disorder","203932","2020-10-21","18:00:00",""
"1548375","22.4857","0.0003","22.4857","0.0003","11.0509","0.0002","90","","90","","120","","4838.84","0.13","100","2","100","0.4","","","","","","","","5","R -3 :H","-R 3","148","","","","- C36 H18 Cu3 N18 O15 -","- C36 H18 Cu3 N18 O15 -","- C108 H54 Cu9 N54 O45 -","3","0.166667","","Linfeng Liang; Caiping Liu; Feilong Jiang; Qihui Chen; Linjie Zhang; Hui Xue; Hai-Long Jiang; Jinjie Qian; Daqiang Yuan; Maochun Hong","Carbon dioxide capture and conversion by an acid-base resistant metal-organic framework","Nature Communications","2017","8","","1233","","10.1038/s41467-017-01166-3","","","1.54184","CuKα","","0.065","0.0584","","","0.1757","0.1845","","","","","","1.121","","","","has coordinates,has disorder","203938","2020-10-21","18:00:00",""
"1548376","12.5821","0.0009","12.6326","0.0008","12.9076","0.0008","88.937","0.005","79.854","0.005","66.759","0.006","1852.7","0.2","150","2","150","2","","","","","","","","7","P -1","-P 1","2","","","","- C32 H13 B Cl3 F15 N2 O -","- C32 H13 B Cl3 F15 N2 O -","- C64 H26 B2 Cl6 F30 N4 O2 -","2","1","","Lewis C. Wilkins; Nicolo Santi; Louis Y. P. Luk; Rebecca L. Melen","Reactions of biologically inspired hydride sources with B(C6F5)3","Philosophical Transactions of the Royal Society A","2017","375","","1","12","10.1098/rsta.2017.0009","","","1.54178","CuKα","","0.0662","0.0478","","","0.1253","0.1409","","","","","","1.026","","","","has coordinates,has disorder","203939","2020-10-21","18:00:00",""
"1548377","5.4904","0.0001","11.4912","0.0003","6.4556","0.0001","90","","95.571","0.002","90","","405.368","0.014","20","0.1","20","0.1","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C2 H8 N10 O4 -","- C2 H8 N10 O4 -","- C4 H16 N20 O8 -","2","0.5","","Tidey, Jeremiah P.; Zhurov, Vladimir V.; Gianopoulos, Christopher G.; Zhurova, Elizabeth A.; Pinkerton, A. Alan","Experimental Charge-Density Study of the Intra- and Intermolecular Bonding in TKX-50.","The journal of physical chemistry. A","2017","121","46","8962","8972","10.1021/acs.jpca.7b09367","","","0.71073","MoKα","","0.007","0.007","","","","0.005","0.008","","","","","1.333","","","","has coordinates","203944","2020-10-21","18:00:00",""
"1548378","23.4747","0.0014","18.168","0.001","17.265","0.0018","90","","124.479","0.001","90","","6069.8","0.8","100","","100","","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C60 H33 B Cl6 F24 N2 -","- C60 H33 B Cl6 F24 N2 -","- C240 H132 B4 Cl24 F96 N8 -","4","0.5","","Gurinov, Andrei A.; Denisov, Gleb S.; Borissova, Alexandra O.; Goloveshkin, Alexander S.; Greindl, Julian; Limbach, Hans-Heinrich; Shenderovich, Ilya G.","NMR Study of Solvation Effect on the Geometry of Proton-Bound Homodimers of Increasing Size.","The journal of physical chemistry. A","2017","121","45","8697","8705","10.1021/acs.jpca.7b09285","","","0.71073","MoKα","","0.0957","0.0699","","","0.1883","0.2147","","","","","","1.033","","","","has coordinates,has disorder","203945","2020-10-21","18:00:00",""
"1548379","24.307","0.004","18.043","0.003","19.611","0.004","90","","133.202","0.003","90","","6270","2","100","","100","","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C72 H47 B F24 N2 -","- C72 H46.5 B F24 N2 -","- C288 H186 B4 F96 N8 -","4","0.5","","Gurinov, Andrei A.; Denisov, Gleb S.; Borissova, Alexandra O.; Goloveshkin, Alexander S.; Greindl, Julian; Limbach, Hans-Heinrich; Shenderovich, Ilya G.","NMR Study of Solvation Effect on the Geometry of Proton-Bound Homodimers of Increasing Size.","The journal of physical chemistry. A","2017","121","45","8697","8705","10.1021/acs.jpca.7b09285","","","0.71073","MoKα","","0.098","0.0584","","","0.1442","0.1708","","","","","","1.023","","","","has coordinates,has disorder","203946","2020-10-21","18:00:00",""
"1548394","27.72","","27.72","","39.4","","90","","90","","120","","26218.8","","","","","","","","","","","","","3","P 1","P 1","1","","","","- Bi9 Mn5.571 O20.143 -","- Bi441 Mn273 O987 -","- Bi441 Mn273 O987 -","1","1","","Li, Leigang; Boullay, Philippe; Lu, Ping; Wang, Xuejing; Jian, Jie; Huang, Jijie; Gao, Xingyao; Misra, Shikhar; Zhang, Wenrui; Perez, Olivier; Steciuk, Gwladys; Chen, Aiping; Zhang, Xinghang; Wang, Haiyan","Novel Layered Supercell Structure from Bi2AlMnO6 for Multifunctionalities.","Nano letters","2017","17","11","6575","6582","10.1021/acs.nanolett.7b02284","","","","","","","","","","","","","","","","","","","","","has coordinates","203972","2020-10-21","18:00:00",""
"1548395","27.72","","27.72","","78.8","","90","","90","","120","","52437.7","","","","","","","","","","","","","3","P 1","P 1","1","","","","- Bi9 Mn5.571 O20.143 -","- Bi441 Mn273 O987 -","- Bi882 Mn546 O1974 -","2","2","","Li, Leigang; Boullay, Philippe; Lu, Ping; Wang, Xuejing; Jian, Jie; Huang, Jijie; Gao, Xingyao; Misra, Shikhar; Zhang, Wenrui; Perez, Olivier; Steciuk, Gwladys; Chen, Aiping; Zhang, Xinghang; Wang, Haiyan","Novel Layered Supercell Structure from Bi2AlMnO6 for Multifunctionalities.","Nano letters","2017","17","11","6575","6582","10.1021/acs.nanolett.7b02284","","","","","","","","","","","","","","","","","","","","","has coordinates","203973","2020-10-21","18:00:00",""
"1548398","33.9594","0.0019","8.3689","0.0005","19.1807","0.0011","90","","96.408","0.002","90","","5417.2","0.5","","","296","","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C32 H29 Cl N2 O4 S -","- C32 H29 Cl N2 O4 S -","- C256 H232 Cl8 N16 O32 S8 -","8","1","","Peng-Wei Xu; Jia-Kuan Liu; Lan Shen; Zhong-Yan Cao; Xiao-Li Zhao; Jun Yan; Jian Zhou","Diastereo- and enantioselective [3 + 3] cycloaddition of spirocyclopropyl oxindoles using both aldonitrones and ketonitrones","Nature Communications","2017","8","","1619","","10.1038/s41467-017-01451-1","","x-ray","0.71073","MoKα","","0.1466","0.0595","","","0.1126","0.1517","","","","","","1.022","","","","has coordinates","204072","2020-10-21","18:00:00",""
"1548399","8.9003","0.0003","13.1778","0.0004","13.2084","0.0004","108.296","0.001","102.628","0.001","99.444","0.001","1389.26","0.08","","","160.01","","","","","","","","","6","P -1","-P 1","2","","","","- C32 H29 Cl N2 O4 S -","- C32 H29 Cl N2 O4 S -","- C64 H58 Cl2 N4 O8 S2 -","2","1","","Peng-Wei Xu; Jia-Kuan Liu; Lan Shen; Zhong-Yan Cao; Xiao-Li Zhao; Jun Yan; Jian Zhou","Diastereo- and enantioselective [3 + 3] cycloaddition of spirocyclopropyl oxindoles using both aldonitrones and ketonitrones","Nature Communications","2017","8","","1619","","10.1038/s41467-017-01451-1","","x-ray","0.71073","MoKα","","0.057","0.0466","","","0.0972","0.1025","","","","","","1.092","","","","has coordinates","204073","2020-10-21","18:00:00",""
"1548400","9.6736","0.0007","12.6142","0.0009","12.7109","0.0009","108.99","0.002","99.303","0.002","96.865","0.002","1422.5","0.18","","","296","","","","","","","","","6","P -1","-P 1","2","","","","- C29 H32 Br N2 O5 P -","- C29 H32 Br N2 O5 P -","- C58 H64 Br2 N4 O10 P2 -","2","1","","Peng-Wei Xu; Jia-Kuan Liu; Lan Shen; Zhong-Yan Cao; Xiao-Li Zhao; Jun Yan; Jian Zhou","Diastereo- and enantioselective [3 + 3] cycloaddition of spirocyclopropyl oxindoles using both aldonitrones and ketonitrones","Nature Communications","2017","8","","1619","","10.1038/s41467-017-01451-1","","x-ray","0.71073","MoKα","","0.0675","0.0521","","","0.1544","0.1701","","","","","","1.052","","","","has coordinates","204075","2020-10-21","18:00:00",""
"1548401","8.9464","0.0009","16.7038","0.0015","19.5947","0.0018","90","","90","","90","","2928.2","0.5","","","293","","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C32 H29 Cl N2 O4 S -","- C32 H29 Cl N2 O4 S -","- C128 H116 Cl4 N8 O16 S4 -","4","1","","Peng-Wei Xu; Jia-Kuan Liu; Lan Shen; Zhong-Yan Cao; Xiao-Li Zhao; Jun Yan; Jian Zhou","Diastereo- and enantioselective [3 + 3] cycloaddition of spirocyclopropyl oxindoles using both aldonitrones and ketonitrones","Nature Communications","2017","8","","1619","","10.1038/s41467-017-01451-1","","x-ray","0.71073","MoKα","","0.067","0.0529","","","0.1206","0.1283","","","","","","1.047","","","","has coordinates","204076","2020-10-21","18:00:00",""
"1548402","8.9148","0.0006","16.9063","0.0012","19.8682","0.0014","90","","90","","90","","2994.5","0.4","","","296","","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C33 H31 Cl N2 O4 S -","- C33 H31 Cl N2 O4 S -","- C132 H124 Cl4 N8 O16 S4 -","4","1","","Peng-Wei Xu; Jia-Kuan Liu; Lan Shen; Zhong-Yan Cao; Xiao-Li Zhao; Jun Yan; Jian Zhou","Diastereo- and enantioselective [3 + 3] cycloaddition of spirocyclopropyl oxindoles using both aldonitrones and ketonitrones","Nature Communications","2017","8","","1619","","10.1038/s41467-017-01451-1","","x-ray","0.71073","MoKα","","0.0682","0.0438","","","0.1001","0.113","","","","","","1.009","","","","has coordinates","204077","2020-10-21","18:00:00",""
"1548403","24.051","0.002","11.1897","0.0008","20.9345","0.0015","90","","93.412","0.005","90","","5624","0.7","","","296","","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C28 H32 Cl N2 O4 P -","- C28 H32 Cl N2 O4 P -","- C224 H256 Cl8 N16 O32 P8 -","8","1","","Peng-Wei Xu; Jia-Kuan Liu; Lan Shen; Zhong-Yan Cao; Xiao-Li Zhao; Jun Yan; Jian Zhou","Diastereo- and enantioselective [3 + 3] cycloaddition of spirocyclopropyl oxindoles using both aldonitrones and ketonitrones","Nature Communications","2017","8","","1619","","10.1038/s41467-017-01451-1","","x-ray","0.71073","MoKα","","0.1833","0.1252","","","0.3351","0.3965","","","","","","1.065","","","","has coordinates","204078","2020-10-21","18:00:00",""
"1548404","10.0939","0.0006","24.1607","0.0014","9.0663","0.0005","90","","112.346","0.002","90","","2045","0.2","","","296","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C24 H19 Cl2 N O2 -","- C24 H19 Cl2 N O2 -","- C96 H76 Cl8 N4 O8 -","4","1","","Peng-Wei Xu; Jia-Kuan Liu; Lan Shen; Zhong-Yan Cao; Xiao-Li Zhao; Jun Yan; Jian Zhou","Diastereo- and enantioselective [3 + 3] cycloaddition of spirocyclopropyl oxindoles using both aldonitrones and ketonitrones","Nature Communications","2017","8","","1619","","10.1038/s41467-017-01451-1","","x-ray","0.71073","MoKα","","0.0466","0.035","","","0.079","0.0857","","","","","","1.04","","","","has coordinates","204079","2020-10-21","18:00:00",""
"1548405","5.9996","0.0003","4.9812","0.0003","18.7925","0.001","90","","91.68","0.004","90","","561.38","0.05","","","150","","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C14 H9 Br O S -","- C14 H9 Br O S -","- C28 H18 Br2 O2 S2 -","2","1","","Harry J. Shrives; Jose A. Fernandez-Salas; Christin Hedtke; Alexander P. Pulis; David J. Procter","Regioselective synthesis of C3 alkylated and arylated benzothiophenes","Nature Communications","2017","8","","14801","","10.1038/ncomms14801","","x-ray","1.54178","CuKα","","0.0432","0.0411","","","0.11","0.1114","","","","","","1.065","","","","has coordinates","204080","2020-10-21","18:00:00",""
"1548406","8.0485","0.0008","10.3008","0.0011","24.936","0.002","90","","90.873","0.002","90","","2067.1","0.3","","","296","","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C25 H26 N2 O -","- C25 H26 N2 O -","- C100 H104 N8 O4 -","4","1","","Yan-Yun Liu; Xu-Heng Yang; Ren-Jie Song; Shenglian Luo; Jin-Heng Li","Oxidative 1,2-carboamination of alkenes with alkyl nitriles and amines toward gamma-amino alkyl nitriles","Nature Communications","2017","8","","14720","","10.1038/ncomms14720","","x-ray","0.71069","MoKα","","0.0902","0.0511","","","0.1153","0.1345","","","","","","1.028","","","","has coordinates","204081","2020-10-21","18:00:00",""
"1548413","50.0474","0.0006","50.0474","0.0006","32.7348","0.0004","90","","90","","120","","71007.4","1.5","150","2","150.15","","","","","","","","","6","R -3","-R 3","148","","","","- C109 H96 Ag16 F32 N16 O45 -","- C109 H96 Ag16 F32 N16 O45 -","- C1962 H1728 Ag288 F576 N288 O810 -","18","","","Rebecca Smith; Inigo J. Vitorica-Yrezabal; Adrian Hill; Lee Brammer","Arene guest selectivity and pore flexibility in a metal-organic framework with semi-fluorinated channel walls","Philosophical Transactions of the Royal Society A","2017","375","","1","16","10.1098/rsta.2016.0031","","x-ray","0.71073","MoKα","","0.0682","0.0565","","","0.1114","0.1158","","","","","","1.124","","","","has coordinates","204149","2020-10-21","18:00:00",""
"1548414","25.1849","0.0004","25.1849","0.0004","33.2733","0.0007","90","","90","","120","","18277.1","0.6","298","2","298","","","","","","","","","6","R -3 c","-R 3 2""c","167","","","","- C12 H12 Ag2 F4 N2 O4 -","- C12 H12 Ag2 F4 N2 O4 -","- C432 H432 Ag72 F144 N72 O144 -","36","","","Rebecca Smith; Inigo J. Vitorica-Yrezabal; Adrian Hill; Lee Brammer","Arene guest selectivity and pore flexibility in a metal-organic framework with semi-fluorinated channel walls","Philosophical Transactions of the Royal Society A","2017","375","","1","16","10.1098/rsta.2016.0031","","x-ray","0.71073","MoKα","","0.0317","0.0276","","","0.0734","0.0757","","","","","","1.07","","","","has coordinates","287943","2023-12-01","18:00:38",""
"1548415","10.5304","0.001","5.6409","0.0005","12.1404","0.001","90","","90.863","0.006","90","","721.07","0.11","100","2","100.15","","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C12 H12 Ag2 F4 N2 O4 -","- C12 H12 Ag2 F4 N2 O4 -","- C24 H24 Ag4 F8 N4 O8 -","2","0.5","","Rebecca Smith; Inigo J. Vitorica-Yrezabal; Adrian Hill; Lee Brammer","Arene guest selectivity and pore flexibility in a metal-organic framework with semi-fluorinated channel walls","Philosophical Transactions of the Royal Society A","2017","375","","1","16","10.1098/rsta.2016.0031","","","0.71073","MoKα","","0.0264","0.0215","","","0.0495","0.0512","","","","","","1.067","","","","has coordinates","204151","2020-10-21","18:00:00",""
"1548419","10.198","0.005","13.495","0.006","13.797","0.006","99.002","0.009","110.814","0.008","110.231","0.008","1578.6","1.3","295","2","295","2","","","","","","","synthesized","6","P -1","-P 1","2","pentakis(dmso)oxotitanium(IV) triflate","pentakis(dimethylsulfoxide)oxotitanium(IV) trifluoromethanesulfonate","","- C12 H30 F6 O12 S7 Ti -","- C12 H30 F6 O12 S7 Ti -","- C24 H60 F12 O24 S14 Ti2 -","2","1","","Daniel Lundberg; Ingmar Persson","Structure of a Hydrated Sulfonatotitanyl(IV) Complex in Aqueous Solution and the Dimethylsulfoxide Solvated Titanyl(IV) Ion in Solution and Solid State","Journal of Solution Chemistry","2017","46","","476","487","10.1007/s10953-017-0581-3","","x-ray","0.71073","MoKα","","0.0856","0.0721","","","0.2031","0.2216","","","","","","1.092","","","","has coordinates,has disorder","204155","2020-10-21","18:00:00",""
"1548424","8.7123","0.0017","8.7388","0.0017","14.342","0.003","72.586","0.004","73.955","0.004","62.928","0.004","915","0.3","","","100","","","","","","","","","5","P -1","-P 1","2","","","","- C18 H17 Cu N5 O5 -","- C19 H16 Cu N5 O5 -","- C38 H32 Cu2 N10 O10 -","2","1","","Isolda Roger; Claire Wilson; Hans M. Senn; Stephen Sproules; Mark D. Symes","An investigation into the unusual linkage isomerization and nitrite reduction activity of a novel tris(2-pyridyl) copper complex","Royal Society Open Science","2017","4","","170593","","10.1098/rsos.170593","","x-ray","0.71073","MoKα","","","0.055","","","0.141","","","","","","","1.13","","","","has coordinates","204160","2020-10-21","18:00:00",""
"1548425","18.1623","0.0007","9.7531","0.0004","24.6826","0.0009","90","","109.337","0.002","90","","4125.6","0.3","100","2","100","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C4.53 H3.64 Cl0.18 Co0.09 N0.53 -","- C4.53333 H3.55556 Cl0.177867 Co0.0888889 N0.533333 -","- C204 H160 Cl8.004 Co4 N24 -","45","11.25","","Ganguly, Sumit; Conradie, Jeanet; Bendix, Jesper; Gagnon, Kevin J.; McCormick, Laura J.; Ghosh, Abhik","Electronic Structure of Cobalt-Corrole-Pyridine Complexes: Noninnocent Five-Coordinate Co(II) Corrole-Radical States.","The journal of physical chemistry. A","2017","121","50","9589","9598","10.1021/acs.jpca.7b09440","","","0.7749","synchrotron","","0.09","0.0635","","","0.1593","0.1752","","","","","","1.021","","","","has coordinates","204872","2020-10-21","18:00:00",""
"1548426","15.5987","0.0006","20.4468","0.0008","17.467","0.0007","90","","96.297","0.003","90","","5537.4","0.4","100","2","100","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C52 H33 Br8 Cl6 Co N6 -","- C52 H33 Br8 Cl6 Co N6 -","- C208 H132 Br32 Cl24 Co4 N24 -","4","1","","Ganguly, Sumit; Conradie, Jeanet; Bendix, Jesper; Gagnon, Kevin J.; McCormick, Laura J.; Ghosh, Abhik","Electronic Structure of Cobalt-Corrole-Pyridine Complexes: Noninnocent Five-Coordinate Co(II) Corrole-Radical States.","The journal of physical chemistry. A","2017","121","50","9589","9598","10.1021/acs.jpca.7b09440","","","0.7749","synchrotron","","0.0761","0.0483","","","0.1076","0.1202","","","","","","1.014","","","","has coordinates,has disorder","204872","2020-10-21","18:00:00",""
"1548446","13.451","0.003","6.695","0.002","10.126","0.003","90","","116.59","0.04","90","","815.4","0.5","","","","","","","","","","","","4","C 1 2/c 1","-C 2yc","15","Mn2VO4F","","","- F Mn2 O4 V -","- F Mn2 O4 V -","- F8 Mn16 O32 V8 -","8","1","","Mori, D.; Yahia, H.B.; Shikano, M.; Imanishi, N.; Inaguma, Y.; Belharouak, I.","Low temperature synthesis, structure and magnetic properties of Mn2[VO4]F","Journal of Asian Ceramic Societies","2017","465","","5","460","","","","","","","","","","","","","","","","","","","","","","has coordinates","204179","2020-10-21","18:00:00",""
"1548447","9.6731","0.0004","11.8776","0.0006","13.3871","0.0006","110.146","0.004","98.926","0.004","99.616","0.004","1385.6","0.12","107.2","","107.2","","","","","","","","","3","P -1","-P 1","2","","","","- C35 H32 O8 -","- C35 H32 O8 -","- C70 H64 O16 -","2","1","","Huo, Hui-Xia; Zhu, Zhi-Xiang; Song, Yue-Lin; Shi, She-Po; Sun, Jing; Sun, Hui; Zhao, Yun-Fang; Zheng, Jiao; Ferreira, Daneel; Zjawiony, Jordan K.; Tu, Peng-Fei; Li, Jun","Anti-inflammatory Dimeric 2-(2-Phenylethyl)chromones from the Resinous Wood of Aquilaria sinensis.","Journal of natural products","2017","","","","","10.1021/acs.jnatprod.7b00919","","","1.5418","CuKα","","0.0444","0.039","","","0.102","0.1064","","","","","","1.047","","","","has coordinates","204196","2020-10-21","18:00:00",""
"1548454","4.5412","0.0004","4.8838","0.0004","10.1982","0.001","90","","98.226","0.007","90","","223.85","0.03","180","2","180","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C3 H5 Li O3 -","- C3 H5 Li O3 -","- C6 H10 Li2 O6 -","2","1","","Mondal, Arobendo; Gaultois, Michael W.; Pell, Andrew J.; Iannuzzi, Marcella; Grey, Clare P.; Hutter, Jürg; Kaupp, Martin","Large-Scale Computation of Nuclear Magnetic Resonance Shifts for Paramagnetic Solids Using CP2K.","Journal of chemical theory and computation","2017","","","","","10.1021/acs.jctc.7b00991","","","1.54178","CuKα","","0.0533","0.0444","","","0.1127","0.1206","","","","","","1.09","","","","has coordinates","204264","2020-10-21","18:00:00",""
"1548469","4.7483","0.0005","4.7483","0.0005","13.665","0.001","90","","90","","120","","266.82","0.04","","","296","","","","","","","","","4","R -3 :H","-R 3","148","","","hemleyite","- Fe0.48 Mg0.52 O3 Si -","- Fe0.48 Mg0.52 O3 Si -","- Fe2.88 Mg3.12 O18 Si6 -","6","0.333333","","Luca Bindi; Ming Chen; Xiande Xie","Discovery of the Fe-analogue of akimotoite in the shocked Suizhou L6 chondrite","Scientific Reports","2017","7","","42674","","10.1038/srep42674","","x-ray","0.71073","MoKα","","0.0892","0.0593","","","","","","","","","","","","","","has coordinates","204313","2020-10-21","18:00:00",""
"1548486","16.581","0.0009","16.5963","0.0016","16.8376","0.0012","85.765","0.002","68.695","0.001","66.246","0.001","3936.8","0.5","293","2","293","2","","","","","","","","7","P -1","-P 1","2","","","","- C79 H66 Br2 Cl2 N4 Ni O2 -","- C79 H66 Br2 Cl2 N4 Ni O2 -","- C158 H132 Br4 Cl4 N8 Ni2 O4 -","2","1","","Zou, Chen; Dai, Shengyu; Chen, Changle","Ethylene Polymerization and Copolymerization Using Nickel 2-Iminopyridine-N-oxide Catalysts: Modulation of Polymer Molecular Weights and Molecular-Weight Distributions","Macromolecules","2017","","","","","10.1021/acs.macromol.7b02156","","","1.54178","CuKα","","0.1409","0.1009","","","0.2429","0.2703","","","","","","1.12","","","","has coordinates","204371","2020-10-21","18:00:00",""
"1548487","11.8392","0.0009","14.1257","0.0012","14.3685","0.0013","90.924","0.001","102.292","0.002","113.08","0.003","2146.6","0.3","298","2","298","2","","","","","","","","6","P -1","-P 1","2","","","","- C90 H72 Br4 N4 Ni2 O2 -","- C90 H72 Br4 N4 Ni2 O2 -","- C90 H72 Br4 N4 Ni2 O2 -","1","0.5","","Zou, Chen; Dai, Shengyu; Chen, Changle","Ethylene Polymerization and Copolymerization Using Nickel 2-Iminopyridine-N-oxide Catalysts: Modulation of Polymer Molecular Weights and Molecular-Weight Distributions","Macromolecules","2017","","","","","10.1021/acs.macromol.7b02156","","","0.71073","MoKα","","0.2193","0.1567","","","0.3638","0.4024","","","","","","1.143","","","","has coordinates","204372","2020-10-21","18:00:00",""
"1548509","5.3477","0.0001","14.5931","0.0002","12.6564","0.0002","90","","93.912","0.001","90","","985.4","0.03","293","2","293","2","","","","","","","","3","P 1 21 1","P 2yb","4","","","","- C22 H30 O4 -","- C22 H30 O4 -","- C44 H60 O8 -","2","1","","Cao, Jia-Qing; Tian, Hai-Yan; Li, Man-Mei; Zhang, Wei; Wang, Ying; Wang, Lei; Ye, Wen-Cai","Rearranged Phloroglucinol-Monoterpenoid Adducts from Callistemon rigidus","Journal of Natural Products","2017","","","","","10.1021/acs.jnatprod.7b00606","","","1.54178","CuKα","","0.0288","0.0287","","","0.076","0.0762","","","","","","1.046","","","","has coordinates","204416","2020-10-21","18:00:00",""
"1548510","7.5243","0.0001","12.3365","0.0002","22.0854","0.0002","90","","90","","90","","2050.04","0.05","100","0.1","100","0.1","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C22 H30 O5 -","- C22 H30 O5 -","- C88 H120 O20 -","4","1","","Cao, Jia-Qing; Tian, Hai-Yan; Li, Man-Mei; Zhang, Wei; Wang, Ying; Wang, Lei; Ye, Wen-Cai","Rearranged Phloroglucinol-Monoterpenoid Adducts from Callistemon rigidus","Journal of Natural Products","2017","","","","","10.1021/acs.jnatprod.7b00606","","","1.54178","CuKα","","0.0307","0.0302","","","0.0806","0.0812","","","","","","1.031","","","","has coordinates","204417","2020-10-21","18:00:00",""
"1548511","8.87979","0.00013","12.7869","0.0002","17.5805","0.0003","90","","90","","90","","1996.18","0.05","173","1","173","1","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C22 H30 O4 -","- C22 H30 O4 -","- C88 H120 O16 -","4","1","","Cao, Jia-Qing; Tian, Hai-Yan; Li, Man-Mei; Zhang, Wei; Wang, Ying; Wang, Lei; Ye, Wen-Cai","Rearranged Phloroglucinol-Monoterpenoid Adducts from Callistemon rigidus","Journal of Natural Products","2017","","","","","10.1021/acs.jnatprod.7b00606","","x-ray","1.54178","CuKα","","0.0347","0.033","","","0.0846","0.0865","","","","","","1.042","","","","has coordinates","288248","2023-12-12","12:55:13",""
"1548512","7.48087","0.00009","22.1683","0.0002","11.52385","0.00013","90","","90.1036","0.001","90","","1911.09","0.04","293","2","293","2","","","","","","","","3","P 1 21 1","P 2yb","4","","","","- C21 H28 O5 -","- C21 H28 O5 -","- C84 H112 O20 -","4","2","","Cao, Jia-Qing; Tian, Hai-Yan; Li, Man-Mei; Zhang, Wei; Wang, Ying; Wang, Lei; Ye, Wen-Cai","Rearranged Phloroglucinol-Monoterpenoid Adducts from Callistemon rigidus","Journal of Natural Products","2017","","","","","10.1021/acs.jnatprod.7b00606","","x-ray","1.54178","CuKα","","0.0499","0.0492","","","0.1286","0.129","","","","","","1.104","","","","has coordinates","288248","2023-12-12","12:55:22",""
"1548513","9.3123","0.0002","11.7835","0.0002","11.8236","0.0002","117.449","0.002","110.752","0.002","94.972","0.002","1026.64","0.05","150","0.1","150","0.1","","","","","","","","3","P 1","P 1","1","","","","- C22 H30 O5 -","- C22 H30 O5 -","- C44 H60 O10 -","2","2","","Cao, Jia-Qing; Tian, Hai-Yan; Li, Man-Mei; Zhang, Wei; Wang, Ying; Wang, Lei; Ye, Wen-Cai","Rearranged Phloroglucinol-Monoterpenoid Adducts from Callistemon rigidus","Journal of Natural Products","2017","","","","","10.1021/acs.jnatprod.7b00606","","x-ray","1.54178","CuKα","","0.0336","0.0327","","","0.0899","0.0906","","","","","","1.033","","","","has coordinates","204420","2020-10-21","18:00:00",""
"1548514","11.1617","0.0004","11.3469","0.0003","15.3512","0.0005","90","","90","","90","","1944.24","0.11","173.01","0.1","173.01","0.1","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C21 H28 O4 -","- C21 H28 O4 -","- C84 H112 O16 -","4","1","","Cao, Jia-Qing; Tian, Hai-Yan; Li, Man-Mei; Zhang, Wei; Wang, Ying; Wang, Lei; Ye, Wen-Cai","Rearranged Phloroglucinol-Monoterpenoid Adducts from Callistemon rigidus","Journal of Natural Products","2017","","","","","10.1021/acs.jnatprod.7b00606","","x-ray","1.54178","CuKα","","0.0305","0.0286","","","0.0732","0.0752","","","","","","1.07","","","","has coordinates","288248","2023-12-12","12:55:24",""
"1548515","6.747","0.0001","13.2449","0.0003","18.87","0.0004","90","","90","","90","","1686.29","0.06","100","2","100","","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C20 H20 O6 -","- C20 H20 O6 -","- C80 H80 O24 -","4","1","","Thomas, Santana A. L.; von Salm, Jacqueline L.; Clark, Shane; Ferlita, Steve; Nemani, Prasanth; Azhari, Ala; Rice, Christopher A.; Wilson, Nerida G.; Kyle, Dennis E.; Baker, Bill J.","Keikipukalides, Furanocembrane Diterpenes from the Antarctic Deep Sea Octocoral Plumarella delicatissima","Journal of Natural Products","2017","","","","","10.1021/acs.jnatprod.7b00732","","","1.54178","CuKα","","0.0433","0.0352","","","0.0698","0.0731","","","","","","1.048","","","","has coordinates","204422","2020-10-21","18:00:00",""
"1548516","8.7671","0.0002","11.4162","0.0003","19.4875","0.0004","90","","90","","90","","1950.44","0.08","100","2","100.02","","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C22 H24 O7 -","- C22 H24 O7 -","- C88 H96 O28 -","4","1","","Thomas, Santana A. L.; von Salm, Jacqueline L.; Clark, Shane; Ferlita, Steve; Nemani, Prasanth; Azhari, Ala; Rice, Christopher A.; Wilson, Nerida G.; Kyle, Dennis E.; Baker, Bill J.","Keikipukalides, Furanocembrane Diterpenes from the Antarctic Deep Sea Octocoral Plumarella delicatissima","Journal of Natural Products","2017","","","","","10.1021/acs.jnatprod.7b00732","","","1.54178","CuKα","","0.0401","0.0344","","","0.0782","0.0812","","","","","","1.031","","","","has coordinates","204423","2020-10-21","18:00:00",""
"1548517","10.4786","0.0022","10.4786","0.0022","10.4786","0.0022","90","","90","","90","","1150.6","0.4","1123.15","0.5","","","","","","","","","","2","I a -3","-I 2b 2c 3","206","","Lutetium(III) Oxide (2/3)","","- Lu2 O3 -","- Lu2 O3 -","- Lu32 O48 -","16","0.333333","","Pavlik, III, Alfred J.; Ushakov, Sergey V.; Navrotsky, Alexandra; Benmore, Chris J.; Weber, Richard J.K.","Structure and thermal expansion of Lu 2 O 3 and Yb 2 O 3 up to the melting points","Journal of Nuclear Materials","2017","495","","385","","10.1016/j.jnucmat.2017.08.031","powder diffraction","","","","","","","","","0.10616","","","","7.867","","","","","","","has coordinates","213925","2020-10-21","18:00:00",""
"1548518","10.5278","0.0004","10.5278","0.0004","10.5278","0.0004","90","","90","","90","","1166.84","0.08","1723.15","0.5","","","","","","","","","","2","I a -3","-I 2b 2c 3","206","","Lutetium(III) Oxide (2/3)","","- Lu2 O3 -","- Lu2 O3 -","- Lu32 O48 -","16","0.333333","","Pavlik, III, Alfred J.; Ushakov, Sergey V.; Navrotsky, Alexandra; Benmore, Chris J.; Weber, Richard J.K.","Structure and thermal expansion of Lu 2 O 3 and Yb 2 O 3 up to the melting points","Journal of Nuclear Materials","2017","495","","385","","10.1016/j.jnucmat.2017.08.031","powder diffraction","","","","","","","","","0.02628","","","","1.898","","","","","","","has coordinates","213925","2020-10-21","18:00:00",""
"1548519","10.5476","0.0015","10.5476","0.0015","10.5476","0.0015","90","","90","","90","","1173.4","0.3","2773.15","0.5","","","","","","","","","","2","I a -3","-I 2b 2c 3","206","","Lutetium(III) Oxide (2/3)","","- Lu2 O3 -","- Lu2 O3 -","- Lu32 O48 -","16","0.333333","","Pavlik, III, Alfred J.; Ushakov, Sergey V.; Navrotsky, Alexandra; Benmore, Chris J.; Weber, Richard J.K.","Structure and thermal expansion of Lu 2 O 3 and Yb 2 O 3 up to the melting points","Journal of Nuclear Materials","2017","495","","385","","10.1016/j.jnucmat.2017.08.031","powder diffraction","","","","","","","","","0.02121","","","","0.894","","","","","","","has coordinates","213925","2020-10-21","18:00:00",""
"1548520","10.5078","0.0008","10.5078","0.0008","10.5078","0.0008","90","","90","","90","","1160.21","0.15","1123.15","0.5","","","","","","","","","","2","I a -3","-I 2b 2c 3","206","","Ytterbium(III) Oxide (2/3)","","- O3 Yb2 -","- O3 Yb2 -","- O48 Yb32 -","16","0.333333","","Pavlik, III, Alfred J.; Ushakov, Sergey V.; Navrotsky, Alexandra; Benmore, Chris J.; Weber, Richard J.K.","Structure and thermal expansion of Lu 2 O 3 and Yb 2 O 3 up to the melting points","Journal of Nuclear Materials","2017","495","","385","","10.1016/j.jnucmat.2017.08.031","powder diffraction","","","","","","","","","0.0613","","","","4.771","","","","","","","has coordinates","213925","2020-10-21","18:00:00",""
"1548521","10.5629","0.0004","10.5629","0.0004","10.5629","0.0004","90","","90","","90","","1178.55","0.08","1873.15","0.5","","","","","","","","","","2","I a -3","-I 2b 2c 3","206","","Ytterbium(III) Oxide (2/3)","","- O3 Yb2 -","- O3 Yb2 -","- O48 Yb32 -","16","0.333333","","Pavlik, III, Alfred J.; Ushakov, Sergey V.; Navrotsky, Alexandra; Benmore, Chris J.; Weber, Richard J.K.","Structure and thermal expansion of Lu 2 O 3 and Yb 2 O 3 up to the melting points","Journal of Nuclear Materials","2017","495","","385","","10.1016/j.jnucmat.2017.08.031","powder diffraction","","","","","","","","","0.02228","","","","1.746","","","","","","","has coordinates","213925","2020-10-21","18:00:00",""
"1548522","10.6552","0.0008","10.6552","0.0008","10.6552","0.0008","90","","90","","90","","1209.72","0.16","2873.15","0.5","","","","","","","","","","2","I a -3","-I 2b 2c 3","206","","Ytterbium(III) Oxide (2/3)","","- O3 Yb2 -","- O3 Yb2 -","- O48 Yb32 -","16","0.333333","","Pavlik, III, Alfred J.; Ushakov, Sergey V.; Navrotsky, Alexandra; Benmore, Chris J.; Weber, Richard J.K.","Structure and thermal expansion of Lu 2 O 3 and Yb 2 O 3 up to the melting points","Journal of Nuclear Materials","2017","495","","385","","10.1016/j.jnucmat.2017.08.031","powder diffraction","","","","","","","","","0.02209","","","","1.837","","","","","","","has coordinates","213925","2020-10-21","18:00:00",""
"1548535","7.9231","0.0003","10.9643","0.0004","21.6231","0.0007","90","","95.083","0.001","90","","1871.04","0.12","293","2","293","2","","","","","","","","3","P 1 21 1","P 2yb","4","","","","- C20 H30 O5 -","- C20 H30 O5 -","- C80 H120 O20 -","4","2","","Zhou, Junfei; Liu, Tingting; Zhang, Hanqi; Zheng, Guijuan; Qiu, Yue; Deng, Mengyi; Zhang, Chun; Yao, Guangmin","Anti-inflammatory Grayanane Diterpenoids from the Leaves of Rhododendron molle","Journal of Natural Products","2017","","","","","10.1021/acs.jnatprod.7b00799","","","1.54178","CuKα","","0.0425","0.0336","","","0.0866","0.0919","","","","","","1.015","","","","has coordinates","204487","2020-10-21","18:00:00",""
"1548536","10.3826","0.0003","10.5016","0.0003","19.1653","0.0006","90","","90","","90","","2089.67","0.11","173","2","173","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C22 H39 O8 -","- C22 H39 O8 -","- C88 H156 O32 -","4","1","","Zhou, Junfei; Liu, Tingting; Zhang, Hanqi; Zheng, Guijuan; Qiu, Yue; Deng, Mengyi; Zhang, Chun; Yao, Guangmin","Anti-inflammatory Grayanane Diterpenoids from the Leaves of Rhododendron molle","Journal of Natural Products","2017","","","","","10.1021/acs.jnatprod.7b00799","","","1.54178","CuKα","","0.0377","0.0369","","","0.1048","0.1059","","","","","","1.008","","","","has coordinates","204488","2020-10-21","18:00:00",""
"1548537","9.8181","0.0001","16.3996","0.0002","13.9736","0.0002","90","","107.009","0.001","90","","2151.52","0.05","100","0.1","100","0.1","","","","","","","","3","P 1 21 1","P 2yb","4","","","","- C23 H34 O6 -","- C23 H34 O6 -","- C92 H136 O24 -","4","2","","Zhou, Junfei; Liu, Tingting; Zhang, Hanqi; Zheng, Guijuan; Qiu, Yue; Deng, Mengyi; Zhang, Chun; Yao, Guangmin","Anti-inflammatory Grayanane Diterpenoids from the Leaves of Rhododendron molle","Journal of Natural Products","2017","","","","","10.1021/acs.jnatprod.7b00799","","x-ray","1.54184","CuKα","","0.0379","0.0371","","","0.0986","0.0998","","","","","","1.039","","","","has coordinates","204489","2020-10-21","18:00:00",""
"1548538","8.7254","0.0002","13.1452","0.0003","20.1229","0.0005","90","","98.593","0.001","90","","2282.13","0.09","298","2","298","2","","","","","","","","3","P 1 21 1","P 2yb","4","","","","- C24 H36 O8 -","- C24 H36 O8 -","- C96 H144 O32 -","4","2","","Zhou, Junfei; Liu, Tingting; Zhang, Hanqi; Zheng, Guijuan; Qiu, Yue; Deng, Mengyi; Zhang, Chun; Yao, Guangmin","Anti-inflammatory Grayanane Diterpenoids from the Leaves of Rhododendron molle","Journal of Natural Products","2017","","","","","10.1021/acs.jnatprod.7b00799","","","1.54178","CuKα","","0.0345","0.034","","","0.0935","0.0939","","","","","","1.055","","","","has coordinates","204490","2020-10-21","18:00:00",""
"1548539","6.2989","0.0002","27.0429","0.0006","11.3517","0.0003","90","","104.096","0.001","90","","1875.43","0.09","173","2","173","2","","","","","","","","3","P 1 21 1","P 2yb","4","","","","- C20 H31 O5.5 -","- C20 H31 O5.5 -","- C80 H124 O22 -","4","2","","Zhou, Junfei; Liu, Tingting; Zhang, Hanqi; Zheng, Guijuan; Qiu, Yue; Deng, Mengyi; Zhang, Chun; Yao, Guangmin","Anti-inflammatory Grayanane Diterpenoids from the Leaves of Rhododendron molle","Journal of Natural Products","2017","","","","","10.1021/acs.jnatprod.7b00799","","","1.54178","CuKα","","0.0341","0.0325","","","0.0825","0.0836","","","","","","1.047","","","","has coordinates","214153","2020-10-21","18:00:00",""
"1548540","9.5407","0.0004","11.7224","0.0005","19.9776","0.0009","90","","90","","90","","2234.29","0.17","296","2","296","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C23 H38 O8 -","- C23 H38 O8 -","- C92 H152 O32 -","4","1","","Zhou, Junfei; Liu, Tingting; Zhang, Hanqi; Zheng, Guijuan; Qiu, Yue; Deng, Mengyi; Zhang, Chun; Yao, Guangmin","Anti-inflammatory Grayanane Diterpenoids from the Leaves of Rhododendron molle","Journal of Natural Products","2017","","","","","10.1021/acs.jnatprod.7b00799","","","1.54178","CuKα","","0.0436","0.0418","","","0.1128","0.1165","","","","","","1.101","","","","has coordinates","204492","2020-10-21","18:00:00",""
"1548541","12.5466","0.0006","6.2439","0.0003","13.9222","0.0006","90","","101.124","0.002","90","","1070.17","0.09","296","2","296","2","","","","","","","","3","P 1 21 1","P 2yb","4","","","","- C22 H34 O8 -","- C22 H34 O8 -","- C44 H68 O16 -","2","1","","Zhou, Junfei; Liu, Tingting; Zhang, Hanqi; Zheng, Guijuan; Qiu, Yue; Deng, Mengyi; Zhang, Chun; Yao, Guangmin","Anti-inflammatory Grayanane Diterpenoids from the Leaves of Rhododendron molle","Journal of Natural Products","2017","","","","","10.1021/acs.jnatprod.7b00799","","","1.54178","CuKα","","0.0322","0.0316","","","0.0923","0.0931","","","","","","1.086","","","","has coordinates","204493","2020-10-21","18:00:00",""
"1548542","8.6611","0.0009","13.5236","0.0013","18.6939","0.0012","90","","90","","90","","2189.6","0.3","173","2","173","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C23 H38 O8 -","- C23 H38 O8 -","- C92 H152 O32 -","4","1","","Zhou, Junfei; Liu, Tingting; Zhang, Hanqi; Zheng, Guijuan; Qiu, Yue; Deng, Mengyi; Zhang, Chun; Yao, Guangmin","Anti-inflammatory Grayanane Diterpenoids from the Leaves of Rhododendron molle","Journal of Natural Products","2017","","","","","10.1021/acs.jnatprod.7b00799","","","1.54178","CuKα","","0.0441","0.0424","","","0.1113","0.1127","","","","","","1.058","","","","has coordinates","204494","2020-10-21","18:00:00",""
"1548548","10.6433","0.0002","13.6676","0.0003","14.8419","0.0003","90","","90","","90","","2159.03","0.08","99.9","0.3","99.9","0.3","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C22 H28 O8 -","- C22 H28 O8 -","- C88 H112 O32 -","4","1","","Yu, Xiaoqin; Zhang, Qingqing; Tian, Li; Guo, Zhiyong; Liu, Chengxiong; Chen, Jianfeng; Ebrahim, Weaam; Liu, Zhen; Proksch, Peter; Zou, Kun","Germacrane-Type Sesquiterpenoids with Antiproliferative Activities from Eupatorium chinense","Journal of Natural Products","2017","","","","","10.1021/acs.jnatprod.7b00693","","x-ray","1.54184","CuKα","","0.0309","0.0299","","","0.0768","0.0777","","","","","","1.066","","","","has coordinates","204547","2020-10-21","18:00:00",""
"1548549","9.25655","0.00009","8.73919","0.00009","5.31939","0.00005","90","","90","","90","","430.311","0.007","","","298","","","","","","","","","3","P b c n","-P 2n 2ab","60","MgSiO3 protoenstatite","","protoenstatite","- Mg O3 Si -","- Mg O3 Si -","- Mg8 O24 Si8 -","8","1","","Kanzaki, M.; Xue, X.","Protoenstatite in MgSiO3 samples prepared by conventional solid state reaction","Journal of Mineralogical and Petrological Sciences","2017","112","","359","364","","","","","","","","","","","","","","","","","","","","","","has coordinates","273026","2022-02-18","04:26:29",""
"1548550","9.2732","","8.7266","","5.3217","","90","","90","","90","","430.651","","","","0","","","","","","","","","3","P b c n","-P 2n 2ab","60","dft optimized protoenstatite","","protoenstatite","- Mg O3 Si -","- Mg O3 Si -","- Mg8 O24 Si8 -","8","1","","Kanzaki, M.; Xue, X.","Protoenstatite in MgSiO3 samples prepared by conventional solid state reaction : DFT optimized structure (0 K)","Journal of Mineralogical and Petrological Sciences","2017","112","","359","364","","","","","","","","","","","","","","","","","","","","","","has coordinates","273027","2022-02-18","04:28:18",""
"1548551","9.61327","0.00013","8.82246","0.00008","5.17455","0.00006","90","","108.331","0.001","90","","416.597","0.009","","","","","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","MgSiO3 low-clinoenstatite","","low-clinoenstatite","- Mg O3 Si -","- Mg O3 Si -","- Mg8 O24 Si8 -","8","2","","Kanzaki, M.; Xue, X.","Protoenstatite in MgSiO3 samples prepared by conventional solid state reaction","Journal of Mineralogical and Petrological Sciences","2017","112","","359","364","","","","","","","","","","","","","","","","","","","","","","has coordinates","273028","2022-02-18","04:29:43",""
"1548606","9.1078","0.0009","9.1877","0.0009","11.146","0.0011","81.945","0.003","68.341","0.003","81.982","0.003","854.38","0.15","296","2","296.15","","","","","","","","","4","P -1","-P 1","2","","","","- C18 H18 O5 S -","- C18 H18 O5 S -","- C36 H36 O10 S2 -","2","1","","Jia, Jiru; Yu, Aimin; Ma, Shanshan; Zhang, Youquan; Li, Ke; Meng, Xiangtai","Solvent-Controlled Switchable Domino Reactions of MBH Carbonate: Synthesis of Benzothiophene Fused α-Pyran, 2,3-Dihydrooxepine, and Oxatricyclodecene Derivatives.","Organic letters","2017","19","22","6084","6087","10.1021/acs.orglett.7b02916","","","0.71073","MoKα","","0.0806","0.0502","","","0.132","0.1508","","","","","","0.985","","","","has coordinates","204774","2020-10-21","18:00:00",""
"1548607","7.584","0.003","23.96","0.015","13.042","0.006","90","","95.24","0.04","90","","2360","2","293","2","293","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C24 H26 O7 S -","- C24 H26 O7 S -","- C96 H104 O28 S4 -","4","1","","Jia, Jiru; Yu, Aimin; Ma, Shanshan; Zhang, Youquan; Li, Ke; Meng, Xiangtai","Solvent-Controlled Switchable Domino Reactions of MBH Carbonate: Synthesis of Benzothiophene Fused α-Pyran, 2,3-Dihydrooxepine, and Oxatricyclodecene Derivatives.","Organic letters","2017","19","22","6084","6087","10.1021/acs.orglett.7b02916","","","0.71073","MoKα","","0.3866","0.1085","","","0.2135","0.3471","","","","","","0.948","","","","has coordinates","204775","2020-10-21","18:00:00",""
"1548608","7.7157","0.0008","11.4525","0.001","13.9009","0.0016","97.178","0.009","95.839","0.009","100.355","0.008","1189.1","0.2","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C24 H25 F O7 S -","- C24 H25 F O7 S -","- C48 H50 F2 O14 S2 -","2","1","","Jia, Jiru; Yu, Aimin; Ma, Shanshan; Zhang, Youquan; Li, Ke; Meng, Xiangtai","Solvent-Controlled Switchable Domino Reactions of MBH Carbonate: Synthesis of Benzothiophene Fused α-Pyran, 2,3-Dihydrooxepine, and Oxatricyclodecene Derivatives.","Organic letters","2017","19","22","6084","6087","10.1021/acs.orglett.7b02916","","x-ray","0.71073","MoKα","","0.1045","0.0702","","","0.1904","0.222","","","","","","1.214","","","","has coordinates","204776","2020-10-21","18:00:00",""
"1548609","8.68","0.002","10.624","0.0015","12.798","0.002","79.965","0.014","74.188","0.018","89.59","0.015","1117.1","0.4","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C24 H21 Cl O5 S -","- C24 H21 Cl O5 S -","- C48 H42 Cl2 O10 S2 -","2","1","","Jia, Jiru; Yu, Aimin; Ma, Shanshan; Zhang, Youquan; Li, Ke; Meng, Xiangtai","Solvent-Controlled Switchable Domino Reactions of MBH Carbonate: Synthesis of Benzothiophene Fused α-Pyran, 2,3-Dihydrooxepine, and Oxatricyclodecene Derivatives.","Organic letters","2017","19","22","6084","6087","10.1021/acs.orglett.7b02916","","x-ray","0.71073","MoKα","","0.171","0.074","","","0.1708","0.2464","","","","","","1.061","","","","has coordinates","204777","2020-10-21","18:00:00",""
"1548610","9.5414","0.0008","17.3999","0.0011","9.7984","0.0008","90","","116.714","0.011","90","","1453.1","0.2","293","2","293","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C17 H14 O S2 -","- C17 H14 O S2 -","- C68 H56 O4 S8 -","4","1","","Wang, Quannan; Yang, Xiaoge; Wu, Ping; Yu, Zhengkun","Photoredox-Catalyzed C-H Arylation of Internal Alkenes to Tetrasubstituted Alkenes: Synthesis of Tamoxifen.","Organic letters","2017","19","22","6248","6251","10.1021/acs.orglett.7b03223","","","0.71073","MoKα","","0.0538","0.0397","","","0.0909","0.0996","","","","","","1.065","","","","has coordinates","204778","2020-10-21","18:00:00",""
"1548611","4.0165","0.0007","23.916","0.003","17.104","0.002","90","","94.419","0.013","90","","1638.1","0.4","293","2","293","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C17 H13 N3 O3 S2 -","- C17 H13 N3 O3 S2 -","- C68 H52 N12 O12 S8 -","4","1","","Wang, Quannan; Yang, Xiaoge; Wu, Ping; Yu, Zhengkun","Photoredox-Catalyzed C-H Arylation of Internal Alkenes to Tetrasubstituted Alkenes: Synthesis of Tamoxifen.","Organic letters","2017","19","22","6248","6251","10.1021/acs.orglett.7b03223","","","0.71073","MoKα","","0.0862","0.0663","","","0.1636","0.1751","","","","","","1.124","","","","has coordinates","204778","2020-10-21","18:00:00",""
"1548612","6.2066","0.0005","16.3879","0.0014","16.6057","0.0016","90","","90","","90","","1689","0.3","293","2","293.15","","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C19 H17 Br N2 O2 -","- C19 H17 Br N2 O2 -","- C76 H68 Br4 N8 O8 -","4","1","","Yuan, Shiru; Luo, Yuchen; Peng, Jingyi; Miao, Maozhong; Xu, Jianfeng; Ren, Hongjun","Oxidative Asymmetric [2 + 3] Annulation of Aldehydes with Azomethine Imines Enabled by N-Heterocyclic Carbene Catalysis.","Organic letters","2017","19","22","6100","6103","10.1021/acs.orglett.7b02948","","","0.71073","MoKα","","0.0705","0.042","","","0.0777","0.0907","","","","","","1.055","","","","has coordinates","204779","2020-10-21","18:00:00",""
"1548620","20.271","0.018","20.104","0.0016","13.641","0.005","90","","90","","90","","5559","5","293","2","293","2","","","","","","","","2","P n m a","-P 2ac 2n","62","","","","- O24 Si12 -","- O24 Si12 -","- O192 Si96 -","8","1","","Gruene, T.; Teng, Li.; Van Genderen, E.; Pinar, A. B.; Van Bokhoven, J. A.","Characterization at the level of individual crystals: single crystal MFI type zeolite grains","Chemistry - A European Journal","2017","","","","","10.1002/chem.201704213","","","0.02508","","","0.2345","0.1611","","","0.406","0.452","","","","","","1.154","","","","has coordinates","205069","2020-10-21","18:00:00",""
"1548621","20.235","0.016","20.135","0.006","13.673","0.006","90","","90","","90","","5571","5","293","2","293","2","","","","","","","","2","P n m a","-P 2ac 2n","62","","","","- O24 Si12 -","- O24 Si12 -","- O192 Si96 -","8","1","","Gruene, T.; Teng, Li.; Van Genderen, E.; Pinar, A. B.; Van Bokhoven, J. A.","Characterization at the level of individual crystals: single crystal MFI type zeolite grains","Chemistry - A European Journal","2017","","","","","10.1002/chem.201704213","","","0.02508","","","0.3398","0.2618","","","0.5387","0.5754","","","","","","1.472","","","","has coordinates","205069","2020-10-21","18:00:00",""
"1548622","20.508","0.0018","20.144","0.01","13.465","0.004","90","","90","","90","","5563","3","293","2","293","2","","","","","","","","2","P n m a","-P 2ac 2n","62","","","","- O24 Si12 -","- O24 Si12 -","- O192 Si96 -","8","1","","Gruene, T.; Teng, Li.; Van Genderen, E.; Pinar, A. B.; Van Bokhoven, J. A.","Characterization at the level of individual crystals: single crystal MFI type zeolite grains","Chemistry - A European Journal","2017","","","","","10.1002/chem.201704213","","","0.02508","","","0.3556","0.1966","","","0.4429","0.52","","","","","","1.204","","","","has coordinates","205069","2020-10-21","18:00:00",""
"1548623","20.03","0.04","20.08","0.02","13.775","0.013","90","","90","","90","","5540","13","293","2","293","2","","","","","","","","2","P n m a","-P 2ac 2n","62","","","","- O24 Si12 -","- O24 Si12 -","- O192 Si96 -","8","1","","Gruene, T.; Teng, Li.; Van Genderen, E.; Pinar, A. B.; Van Bokhoven, J. A.","Characterization at the level of individual crystals: single crystal MFI type zeolite grains","Chemistry - A European Journal","2017","","","","","10.1002/chem.201704213","","","0.02508","","","0.2932","0.2072","","","0.4694","0.5124","","","","","","1.456","","","","has coordinates","205069","2020-10-21","18:00:00",""
"1548624","20.33","0.02","20.12","0.06","13.636","0.008","90","","90","","90","","5578","18","293","2","293","2","","","","","","","","2","P n m a","-P 2ac 2n","62","","","","- O24 Si12 -","- O24 Si12 -","- O192 Si96 -","8","1","","Gruene, T.; Teng, Li.; Van Genderen, E.; Pinar, A. B.; Van Bokhoven, J. A.","Characterization at the level of individual crystals: single crystal MFI type zeolite grains","Chemistry - A European Journal","2017","","","","","10.1002/chem.201704213","","","0.02508","","","0.2342","0.156","","","0.4227","0.4601","","","","","","1.442","","","","has coordinates","205069","2020-10-21","18:00:00",""
"1548625","20.135","0.004","20.016","0.004","13.532","0.003","90","","90","","90","","5454","2","293","2","293","2","","","","","","","","2","P n m a","-P 2ac 2n","62","","","","- O24 Si12 -","- O24 Si12 -","- O192 Si96 -","8","1","","Gruene, T.; Teng, Li.; Van Genderen, E.; Pinar, A. B.; Van Bokhoven, J. A.","Characterization at the level of individual crystals: single crystal MFI type zeolite grains","Chemistry - A European Journal","2017","","","","","10.1002/chem.201704213","","","0.02508","","","0.3666","0.1998","","","0.4455","0.526","","","","","","1.201","","","","has coordinates","205069","2020-10-21","18:00:00",""
"1548626","20.197","0.004","20.072","0.004","13.49","0.003","90","","90","","90","","5469","2","293","2","293","2","","","","","","","","2","P n m a","-P 2ac 2n","62","","","","- O24 Si12 -","- O24 Si12 -","- O192 Si96 -","8","1","","Gruene, T.; Teng, Li.; Van Genderen, E.; Pinar, A. B.; Van Bokhoven, J. A.","Characterization at the level of individual crystals: single crystal MFI type zeolite grains","Chemistry - A European Journal","2017","","","","","10.1002/chem.201704213","","","0.02508","","","0.2408","0.173","","","0.4626","0.4945","","","","","","1.577","","","","has coordinates","205069","2020-10-21","18:00:00",""
"1548627","20.586","0.004","20.008","0.004","13.467","0.003","90","","90","","90","","5547","2","293","2","293","2","","","","","","","","2","P n m a","-P 2ac 2n","62","","","","- O24 Si12 -","- O24 Si12 -","- O192 Si96 -","8","1","","Gruene, T.; Teng, Li.; Van Genderen, E.; Pinar, A. B.; Van Bokhoven, J. A.","Characterization at the level of individual crystals: single crystal MFI type zeolite grains","Chemistry - A European Journal","2017","","","","","10.1002/chem.201704213","","","0.02508","","","0.2537","0.2009","","","0.4854","0.5187","","","","","","1.677","","","","has coordinates","205069","2020-10-21","18:00:00",""
"1548628","20.393","0.004","20.198","0.004","13.469","0.003","90","","90","","90","","5548","2","293","2","293","2","","","","","","","","2","P n m a","-P 2ac 2n","62","","","","- O24 Si12 -","- O24 Si12 -","- O192 Si96 -","8","1","","Gruene, T.; Teng, Li.; Van Genderen, E.; Pinar, A. B.; Van Bokhoven, J. A.","Characterization at the level of individual crystals: single crystal MFI type zeolite grains","Chemistry - A European Journal","2017","","","","","10.1002/chem.201704213","","","0.02508","","","0.3128","0.1729","","","0.4239","0.4966","","","","","","1.234","","","","has coordinates","205069","2020-10-21","18:00:00",""
"1548629","20.135","0.004","20.016","0.004","13.532","0.003","90","","90","","90","","5454","2","293","2","293","2","","","","","","","","2","P n m a","-P 2ac 2n","62","","","","- O24 Si12 -","- O24 Si12 -","- O192 Si96 -","8","1","","Gruene, T.; Teng, Li.; Van Genderen, E.; Pinar, A. B.; Van Bokhoven, J. A.","Characterization at the level of individual crystals: single crystal MFI type zeolite grains","Chemistry - A European Journal","2017","","","","","10.1002/chem.201704213","","","0.02508","","","0.278","0.2038","","","0.4286","0.4731","","","","","","1.325","","","","has coordinates","205069","2020-10-21","18:00:00",""
"1548630","20.51","0.004","20.14","0.004","13.47","0.003","90","","90","","90","","5564","2","293","2","293","2","","","","","","","","2","P n m a","-P 2ac 2n","62","","","","- O24 Si12 -","- O24 Si12 -","- O192 Si96 -","8","1","","Gruene, T.; Teng, Li.; Van Genderen, E.; Pinar, A. B.; Van Bokhoven, J. A.","Characterization at the level of individual crystals: single crystal MFI type zeolite grains","Chemistry - A European Journal","2017","","","","","10.1002/chem.201704213","","","0.02508","","","0.3031","0.1998","","","0.4503","0.5062","","","","","","1.324","","","","has coordinates","205069","2020-10-21","18:00:00",""
"1548631","20.43","0.004","20.1","0.004","13.55","0.003","90","","90","","90","","5564","2","293","2","293","2","","","","","","","","2","P n m a","-P 2ac 2n","62","","","","- O24 Si12 -","- O24 Si12 -","- O192 Si96 -","8","1","","Gruene, T.; Teng, Li.; Van Genderen, E.; Pinar, A. B.; Van Bokhoven, J. A.","Characterization at the level of individual crystals: single crystal MFI type zeolite grains","Chemistry - A European Journal","2017","","","","","10.1002/chem.201704213","","","0.02508","","","0.2388","0.1835","","","0.4364","0.4764","","","","","","1.406","","","","has coordinates","205069","2020-10-21","18:00:00",""
"1548658","20.235","0.016","20.135","0.006","13.673","0.006","90","","90","","90","","5571","5","293","2","293","2","","","","","","","","2","P n m a","-P 2ac 2n","62","","","","- O24 Si12 -","- O24 Si12 -","- O192 Si96 -","8","1","","Gruene, T.; Teng, Li.; Van Genderen, E.; Pinar, A. B.; Van Bokhoven, J. A.","Characterization at the level of individual crystals: single crystal MFI type zeolite grains","Chemistry - A European Journal","2017","","","","","10.1002/chem.201704213","","","0.02508","","","0.2665","0.2086","","","0.4575","0.4959","","","","","","1.329","","","","has coordinates","205068","2020-10-21","18:00:00",""
"1548777","8.638","0.001","8.638","0.001","9.262","0.001","90","","90","","120","","598.5","0.12","293","2","293","2","","","","","","","synthesis as described","3","P 63/m m c","-P 6c 2c","194","","","","- Al11.74 Co4.26 Dy3 -","- Al11.74 Co4.26 Dy3 -","- Al23.48 Co8.52 Dy6 -","2","0.0833333","","Mathieu Pasturel; Nabil Nasri; Besma Belgacem; Thierry Guizouarn; Olivier Tougait; Rached BEN HASSEN; Henri Noel","Magnetic and magnetocaloric properties of the new R3Co4+xAl12-x (R : Tb to Er) with the Gd3Ru4Al12 structure-type","Mendeley","2017","1","","1","2","10.17632/pjk3gshszy.2","","x-ray","0.71073","MoKα","","0.032","0.0221","","","0.0499","0.0533","","","","","","1.129","","","","has coordinates","205631","2020-10-21","18:00:00",""
"1548778","8.63","0.001","8.63","0.001","9.244","0.001","90","","90","","120","","596.23","0.12","293","2","293","2","","","","","","","synthesis as described","3","P 63/m m c","-P 6c 2c","194","Er3Co4Al12","","","- Al11.8 Co4.2 Er3 -","- Al11.797 Co4.203 Er3 -","- Al23.594 Co8.406 Er6 -","2","0.0833333","","Mathieu Pasturel; Nabil Nasri; Besma Belgacem; Thierry Guizouarn; Olivier Tougait; Rached BEN HASSEN; Henri Noel","Magnetic and magnetocaloric properties of the new R3Co4+xAl12-x (R : Tb to Er) with the Gd3Ru4Al12 structure-type","Mendeley","2017","1","","1","2","10.17632/pjk3gshszy.2","","x-ray","0.71073","MoKα","","0.0328","0.0222","","","0.0445","0.0459","","","","","","1.121","","","","has coordinates","205632","2020-10-21","18:00:00",""
"1548779","8.638","0.001","8.638","0.001","9.262","0.001","90","","90","","120","","598.5","0.12","293","2","293","2","","","","","","","synthesis as described","3","P 63/m m c","-P 6c 2c","194","Ho3Co4Al12","","","- Al11.89 Co4.11 Ho3 -","- Al11.89 Co4.11 Ho3 -","- Al23.78 Co8.22 Ho6 -","2","0.0833333","","Mathieu Pasturel; Nabil Nasri; Besma Belgacem; Thierry Guizouarn; Olivier Tougait; Rached BEN HASSEN; Henri Noel","Magnetic and magnetocaloric properties of the new R3Co4+xAl12-x (R : Tb to Er) with the Gd3Ru4Al12 structure-type","Mendeley","2017","1","","1","2","10.17632/pjk3gshszy.2","","x-ray","0.71073","MoKα","","0.0608","0.0394","","","0.0904","0.0962","","","","","","1.164","","","","has coordinates","205633","2020-10-21","18:00:00",""
"1548780","8.661","0.001","8.661","0.001","9.282","0.001","90","","90","","120","","602.99","0.12","293","2","293","2","","","","","","","synthesis as described","3","P 63/m m c","-P 6c 2c","194","","","","- Al11.86 Co4.14 Tb3 -","- Al11.862 Co4.138 Tb3 -","- Al23.724 Co8.276 Tb6 -","2","0.0833333","","Mathieu Pasturel; Nabil Nasri; Besma Belgacem; Thierry Guizouarn; Olivier Tougait; Rached BEN HASSEN; Henri Noel","Magnetic and magnetocaloric properties of the new R3Co4+xAl12-x (R : Tb to Er) with the Gd3Ru4Al12 structure-type","Mendeley","2017","1","","1","2","10.17632/pjk3gshszy.2","","x-ray","0.71073","MoKα","","0.0477","0.0264","","","0.0522","0.0561","","","","","","1.118","","","","has coordinates","205634","2020-10-21","18:00:00",""
"1548781","5.57374","0.00006","14.11358","0.00016","5.63458","0.00007","90","","90","","90","","443.247","0.009","293","","293","","","","","","","","","5","C m c m","-C 2c 2","63","","","","- F2 N Na0.985 O3 Pb1.015 -","- F2 N Na0.985 O3 Pb1.015 -","- F8 N4 Na3.94 O12 Pb4.06 -","4","0.25","","Dmitri O. Charkin; Igor V. Plokhikh; Alexandr N. Zaloga; Maxim V. Lobanov; Sergey M. Kazakov","One disorder out of two orders: Synthesis and crystal structures of cation-ordered PbNaF2NO3, anion-ordered Pb2OFNO3, and continuous disordered (Pb, Na)2(O,F)2-deltaNO3 solid solution with Sillen-derived structures","Solid State Sciences","2017","71","","111","116","10.1016/j.solidstatesciences.2017.07.010","powder diffraction","x-ray","1.5418","","","0.0115","0.0115","","0.0159","0.0159","","","","2.16","","","","","","","has coordinates","205635","2020-10-21","18:00:00",""
"1548782","5.78377","0.00007","14.63528","0.00014","5.81352","0.00006","90","","90","","90","","492.098","0.009","293","","293","","","","","","","","","4","A m a a","-A 2a 2","66","","","","- F N O4 Pb2 -","- F N O4 Pb2 -","- F4 N4 O16 Pb8 -","4","0.25","","Dmitri O. Charkin; Igor V. Plokhikh; Alexandr N. Zaloga; Maxim V. Lobanov; Sergey M. Kazakov","One disorder out of two orders: Synthesis and crystal structures of cation-ordered PbNaF2NO3, anion-ordered Pb2OFNO3, and continuous disordered (Pb, Na)2(O,F)2-deltaNO3 solid solution with Sillen-derived structures","Solid State Sciences","2017","71","","111","116","10.1016/j.solidstatesciences.2017.07.010","powder diffraction","x-ray","1.5418","","","0.0246","0.0246","","0.0378","0.0378","","","","1.95","","","","","","","has coordinates","205636","2020-10-21","18:00:00",""
"1548783","4.04064","0.00003","4.04064","0.00003","14.39848","0.00017","90","","90","","90","","235.081","0.004","293","","293","","","","","","","","","5","I 4/m m m","-I 4 2","139","","","","- F4 N2 Na O6 Pb3 -","- F4 N2 Na O6 Pb3 -","- F4 N2 Na O6 Pb3 -","1","0.03125","","Dmitri O. Charkin; Igor V. Plokhikh; Alexandr N. Zaloga; Maxim V. Lobanov; Sergey M. Kazakov","One disorder out of two orders: Synthesis and crystal structures of cation-ordered PbNaF2NO3, anion-ordered Pb2OFNO3, and continuous disordered (Pb, Na)2(O,F)2-deltaNO3 solid solution with Sillen-derived structures","Solid State Sciences","2017","71","","111","116","10.1016/j.solidstatesciences.2017.07.010","powder diffraction","x-ray","1.54051","","","0.023","0.0227","","0.0234","0.0234","","","","1.12","","","","","","","has coordinates","205637","2020-10-21","18:00:00",""
"1548785","6.717","0.002","8.155","0.003","19.936","0.006","85.032","0.003","85.188","0.003","65.893","0.003","991.6","0.6","296","2","296","2","","","","","","","","6","P -1","-P 1","2","","(<i>E</i>)-3-[4-(Benzo[<i>d</i>]oxazol-2-yl)styryl]-1-methylpyridin-1-ium hexafluoridophosphate","","- C21 H17 F6 N2 O P -","- C21 H17 F6 N2 O P -","- C42 H34 F12 N4 O2 P2 -","2","1","","Xu, Hong-Kang; Kong, Lin; Li, Fei","(<i>E</i>)-3-[4-(Benzo[<i>d</i>]oxazol-2-yl)styryl]-1-methylpyridin-1-ium hexafluoridophosphate","IUCrData","2017","2","12","x171735","","10.1107/S2414314617017357","","","0.71073","MoKα","","0.0856","0.0802","","","0.2401","0.2463","","","","","","1.078","","","","has coordinates,has Fobs","205730","2020-10-21","18:00:00",""
"1548786","12.3775","0.0009","12.3775","0.0009","12.3775","0.0009","90","","90","","90","","1896.3","0.2","296","2","296","2","","","","","","","","5","P a -3","-P 2ac 2ab 3","205","","Poly[bis[(trimethylammonium) [hexa-μ-cyanido-cadmium(II)dicopper(I)]","","- C12 H20 Cd Cu2 N8 -","- C12 H20 Cd Cu2 N8 -","- C48 H80 Cd4 Cu8 N32 -","4","0.166667","IS4021","Nishikiori, Shin-ichi; Yoshida, Jun; Yuge, Hidetaka","Poly[bis(trimethylammonium) [hexa-μ-cyanido-cadmium(II)dicopper(I)]]","IUCrData","2017","2","12","x171771","","10.1107/S2414314617017710","","","0.71073","MoKα","","0.0206","0.017","","","0.0426","0.0443","","","","","","1.107","","","","has coordinates,has Fobs","205731","2020-10-21","18:00:00",""
"1548787","22.656","0.002","12.2607","0.0012","10.2189","0.001","90","","100.363","0.004","90","","2792.3","0.5","296","2","296","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","5-Acetyl-6-methyl-4-phenyl-1-(prop-2-ynyl)-3,4-dihydropyrimidin-2(1<i>H</i>)-one","","- C16 H16 N2 O2 -","- C16 H16 N2 O2 -","- C128 H128 N16 O16 -","8","1","RZ4020","Kaoukabi, Hanane; Taourirte, Moha; Lazrek, Hassan B.; El Azhari, Mohamed; Saadi, Mohamed; El Ammari, Lahcen","5-Acetyl-6-methyl-4-phenyl-1-(prop-2-ynyl)-3,4-dihydropyrimidin-2(1<i>H</i>)-one","IUCrData","2017","2","12","x171802","","10.1107/S2414314617018028","","","0.71073","MoKα","","0.0715","0.0459","","","0.1156","0.1333","","","","","","1.024","","","","has coordinates,has Fobs","205732","2020-10-21","18:00:00",""
"1548788","6.922","0.003","8.498","0.003","14.064","0.005","78.3","0.03","85.51","0.03","69.1","0.03","756.8","0.5","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","(<i>E</i>)-4-Bromo-5-methoxy-2-{[(2-methoxyphenyl)imino]methyl}phenol monohydrate","","- C15 H16 Br N O4 -","- C15 H16 Br N O4 -","- C30 H32 Br2 N2 O8 -","2","1","","Atalay, Şehriman; Aygün, Seda Nur; Meral, Seher; Ağar, Erbil","(<i>E</i>)-4-Bromo-5-methoxy-2-{[(2-methoxyphenyl)imino]methyl}phenol monohydrate","IUCrData","2017","2","12","x171730","","10.1107/S2414314617017308","","","0.71073","MoKα","","0.0795","0.0512","","","0.1185","0.1307","","","","","","0.977","","","","has coordinates,has disorder,has Fobs","205733","2020-10-21","18:00:00",""
"1548789","10.5214","0.0004","13.2896","0.0006","13.368","0.0006","107.331","0.003","109.298","0.002","99.272","0.003","1612.66","0.13","150","2","150","2","","","","","","","","5","P -1","-P 1","2","","5-Acetyl-3-amino-4-(4-methoxyphenyl)-6-methylthieno[2,3-<i>b</i>]pyridine-2-carbonitrile","","- C18 H15 N3 O2 S -","- C18 H15 N3 O2 S -","- C72 H60 N12 O8 S4 -","4","2","TK4041","Mohamed, Shaaban K.; Mague, Joel T.; Akkurt, Mehmet; Bakhite, Etify A.; Al-Taifi, Elham A.","5-Acetyl-3-amino-4-(4-methoxyphenyl)-6-methylthieno[2,3-<i>b</i>]pyridine-2-carbonitrile","IUCrData","2017","2","12","x171700","","10.1107/S241431461701700X","","","1.54178","CuKα","","0.0939","0.0657","","","0.1362","0.1532","","","","","","1.063","","","","has coordinates,has Fobs","205734","2020-10-21","18:00:00",""
"1548790","11.517","0.0006","8.7431","0.0004","22.2595","0.0013","90","","90","","90","","2241.4","0.2","296","2","296","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","Methyl 5-(1-benzofuran-2-yl)isoxazole-3-carboxylate","","- C13 H9 N O4 -","- C13 H9 N O4 -","- C104 H72 N8 O32 -","8","1","HB4192","El-Hiti, Gamal A.; Abdel-Wahab, Bakr F.; Alotaibi, Mohammad Hayal; Hegazy, Amany S.; Kariuki, Benson M.","Methyl 5-(1-benzofuran-2-yl)isoxazole-3-carboxylate","IUCrData","2017","2","12","x171820","","10.1107/S241431461701820X","","","0.71073","MoKα","","0.0905","0.0508","","","0.106","0.1279","","","","","","1.044","","","","has coordinates,has Fobs","205735","2020-10-21","18:00:00",""
"1548791","13.4521","0.0015","7.181","0.0007","34.204","0.003","90","","90","","90","","3304.1","0.6","293","2","293","2","","","","","","","","6","P b c a","-P 2ac 2ab","61","(<i>E</i>)-2-{[(4-Anilinophenyl)imino]methyl}-4-bromo-5-fluorophenol","","","- C19 H14 Br F N2 O -","- C19 H14 Br F N2 O -","- C152 H112 Br8 F8 N16 O8 -","8","1","HB4185","Kalecik, Sedanur; Yavuz, Metin; Kavraz, Fatih; Eserci, Hande; Ağar, Erbil","(<i>E</i>)-2-{[(4-Anilinophenyl)imino]methyl}-4-bromo-5-fluorophenol","IUCrData","2017","2","12","x171708","","10.1107/S2414314617017084","","","0.71073","MoKα","","0.1458","0.0548","","","0.0824","0.1104","","","","","","0.97","","","","has coordinates,has Fobs","205736","2020-10-21","18:00:00",""
"1548792","9.0951","0.0005","13.9582","0.0007","14.1083","0.0007","61.646","0.001","80.859","0.001","83.665","0.001","1554.92","0.14","100","2","100","2","","","","","","","","4","P -1","-P 1","2","","5,5-Diphenyl-3-propylimidazolidine-2,4-dione","","- C18 H18 N2 O2 -","- C18 H18 N2 O2 -","- C72 H72 N8 O8 -","4","2","VM4030","Guerrab, Walid; Mague, Joel T.; Akrad, Rachida; Ansar, Mhammed; Taoufik, Jamal; Ramli, Youssef","5,5-Diphenyl-3-propylimidazolidine-2,4-dione","IUCrData","2017","2","12","x171808","","10.1107/S2414314617018089","","","0.71073","MoKα","","0.0608","0.0497","","","0.1411","0.1485","","","","","","1.06","","","","has coordinates,has disorder,has Fobs","205737","2020-10-21","18:00:00",""
"1548793","4.5971","0.0004","6.4372","0.0007","25.237","0.002","86.984","0.008","86.173","0.007","78.096","0.008","728.56","0.12","293","2","293","2","","","","","","","","6","P -1","-P 1","2","2-{(E)-[(3-chloro-4-methylphenyl)imino]methyl}-4-(trifluoromethoxy)phenol","2-{(<i>E</i>)-[(3-Chloro-4-methylphenyl)imino]methyl}-4-(trifluoromethoxy)phenol","","- C15 H11 Cl F3 N O2 -","- C15 H11 Cl F3 N O2 -","- C30 H22 Cl2 F6 N2 O4 -","2","1","","Atalay, Şehriman; Gerçeker, Semra; Meral, Seher; Bülbül, Hakan","2-{(<i>E</i>)-[(3-Chloro-4-methylphenyl)imino]methyl}-4-(trifluoromethoxy)phenol","IUCrData","2017","2","12","x171725","","10.1107/S2414314617017254","","","0.71073","MoKα","","0.1316","0.0605","","","0.1534","0.1811","","","","","","0.886","","","","has coordinates,has disorder,has Fobs","205738","2020-10-21","18:00:00",""
"1548794","4.8078","0.0003","7.7314","0.0004","17.8011","0.001","93.412","0.001","94.564","0.001","103.05","0.001","640.5","0.06","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","Ethyl 2-[(3-methylquinoxalin-2-yl)sulfanyl]acetate","","- C13 H14 N2 O2 S -","- C13 H14 N2 O2 S -","- C26 H28 N4 O4 S2 -","2","1","SJ4148","Missioui, Mohcine; Mague, Joel T.; El Fal, Mohammed; Taoufik, Jamal; Essassi, El Mokhtar; Ramli, Youssef","Ethyl 2-[(3-methylquinoxalin-2-yl)sulfanyl]acetate","IUCrData","2017","2","12","x171763","","10.1107/S2414314617017631","","","0.71073","MoKα","","0.0403","0.0361","","","0.1037","0.1057","","","","","","1.13","","","","has coordinates,has Fobs","205739","2020-10-21","18:00:00",""
"1548795","19.817","0.002","8.4268","0.0009","12.4459","0.0014","90","","101.22","0.001","90","","2038.7","0.4","296","2","296","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","(<i>E</i>)-3-[4-(Benzo[<i>d</i>]oxazol-2-yl)styryl]-1-methylpyridin-1-ium trifluoroacetate","","- C23 H17 F3 N2 O3 -","- C23 H17 F3 N2 O3 -","- C92 H68 F12 N8 O12 -","4","1","HB4169","Xia, Ying; Wang, Haiyan; Yu, Jianhua; Wu, Zhichao","(<i>E</i>)-3-[4-(Benzo[<i>d</i>]oxazol-2-yl)styryl]-1-methylpyridin-1-ium trifluoroacetate","IUCrData","2017","2","12","x171733","","10.1107/S2414314617017333","","","0.71073","MoKα","","0.0633","0.0495","","","0.1487","0.1614","","","","","","1.12","","","","has coordinates,has disorder,has Fobs","205740","2020-10-21","18:00:00",""
"1548796","4.8809","0.0002","8.5668","0.0004","4.3433","0.0002","90","","90","","90","","181.609","0.014","296","2","296","2","","","","","","","","2","P 21 21 21","P 2ac 2ab","19","","","","- O2 Te -","- O2 Te -","- O8 Te4 -","4","1","HB4189","Weil, Matthias","Redetermination of the γ-form of tellurium dioxide","IUCrData","2017","2","12","","","10.1107/S2414314617017576","","","0.71073","MoKα","","0.0326","0.0252","","","0.0358","0.0369","","","","","","1.022","","","","has coordinates,has Fobs","205741","2020-10-21","18:00:00",""
"1548797","6.7395","0.0002","11.3491","0.0003","16.1078","0.0005","75.681","0.002","88.031","0.002","86.856","0.002","1191.69","0.06","295","2","295","2","","","","","","","","5","P -1","-P 1","2","","bis-(4-Methylanilinium trichloroacetate)","","- C9 H10 Cl3 N O2 -","- C9 H10 Cl3 N O2 -","- C36 H40 Cl12 N4 O8 -","4","2","HB4190","Suresh, S.; Pandi, P.; Kumar, R. Mohan; Chakkaravarthi, G.","4-Methylanilinium trichloroacetate","IUCrData","2017","2","12","x171767","","10.1107/S2414314617017679","","","1.54178","CuKα","","0.0675","0.0513","","","0.1181","0.1284","","","","","","1.019","","","","has coordinates,has Fobs","205742","2020-10-21","18:00:00",""
"1548798","23.767","0.003","5.1425","0.0003","39.806","0.01","90","","102.61","0.02","90","","4747.8","1.4","100","2","100","2","","","","","","","","5","I 1 2/a 1","-I 2ya","15","","3,3'-[(2-Bromo-1,3-phenylene)bis(methylene)]bis(1-butyl-2,3-dihydro-1<i>H</i>-imidazole-2-selone)","","- C22 H29 Br N4 Se2 -","- C22 H29 Br N4 Se2 -","- C176 H232 Br8 N32 Se16 -","8","1","","Rani, Varsha; Singh, Harkesh B.; Butcher, Ray J.","3,3'-[(2-Bromo-1,3-phenylene)bis(methylene)]bis(1-butyl-2,3-dihydro-1<i>H</i>-imidazole-2-selone)","IUCrData","2017","2","12","x171746","","10.1107/S2414314617017461","","","0.71073","MoKα","","0.1324","0.0619","","","0.1199","0.1461","","","","","","1.017","","","","has coordinates,has disorder,has Fobs","205743","2020-10-21","18:00:00",""
"1548799","5.7747","0.0004","6.5171","0.0005","30.234","0.002","90","","95.342","0.007","90","","1132.89","0.14","296","2","296","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","1-[5-Methyl-1-(4-methylphenyl)-1<i>H</i>-1,2,3-triazol-4-yl]ethanone","","- C12 H13 N3 O -","- C12 H13 N3 O -","- C48 H52 N12 O4 -","4","1","","El-Hiti, Gamal A.; Abdel-Wahab, Bakr F.; Alotaibi, Mohammad Hayal; Hegazy, Amany S.; Kariuki, Benson M.","1-[5-Methyl-1-(4-methylphenyl)-1<i>H</i>-1,2,3-triazol-4-yl]ethanone","IUCrData","2017","2","12","x171782","","10.1107/S2414314617017825","","","0.71073","MoKα","","0.0876","0.0598","","","0.1337","0.1523","","","","","","1.067","","","","has coordinates,has Fobs","205744","2020-10-21","18:00:00",""
"1548800","6.6115","0.0004","15.2036","0.0009","15.3021","0.0008","63.536","0.002","83.76","0.002","85.214","0.002","1367.75","0.14","100","2","100","2","","","","","","","","4","P -1","-P 1","2","","(<i>E</i>)-1-[5-Methyl-1-(<i>p</i>-tolyl)-1<i>H</i>-1,2,3-triazol-4-yl]-3-{3-[5-methyl-1-(<i>p</i>-tolyl)-1<i>H</i>-1,2,3-triazol-4-yl]-1-phenyl-1<i>H</i>-pyrazol-4-yl}prop-2-en-1-one","","- C32 H28 N8 O -","- C32 H28 N8 O -","- C64 H56 N16 O2 -","2","1","","Abu El-Enin, Mohammed Abu Bakr; Abdel-Wahab, Bakr F.; Baashen, Mohammed; Ghabbour, Hazem A.; El-Hiti, Gamal A.","(<i>E</i>)-1-[5-Methyl-1-(<i>p</i>-tolyl)-1<i>H</i>-1,2,3-triazol-4-yl]-3-{3-[5-methyl-1-(<i>p</i>-tolyl)-1<i>H</i>-1,2,3-triazol-4-yl]-1-phenyl-1<i>H</i>-pyrazol-4-yl}prop-2-en-1-one","IUCrData","2017","2","12","x171729","","10.1107/S2414314617017291","","","0.71073","MoKα","","0.0909","0.0582","","","0.1365","0.1543","","","","","","1.027","","","","has coordinates,has Fobs","205747","2020-10-21","18:00:00",""
"1548801","6.0506","0.0008","13.7423","0.0018","20.886","0.003","90","","90","","90","","1736.7","0.4","150.15","","150.15","","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","Naphthalene-1-carbaldehyde oxime","","- C11 H9 N O -","- C11 H9 N O -","- C88 H72 N8 O8 -","8","2","HB4179","Green, Alexander R.; Owczarzak, Kendall K.; Thomas, Mallory; Olrogg, Garrett M.; Whitver, Ethan; Crescente, Joseph V.; Peters, Joshua; Doud, Cheyann M.; Storm, Mitchell M.; Fink, Kathryn D.; Bilotti, Caroline; Cardenas, Allan Jay","Naphthalene-1-carbaldehyde oxime","IUCrData","2017","2","12","x171720","","10.1107/S2414314617017205","","","0.71073","MoKα","","0.1295","0.0687","","","0.1197","0.1389","","","","","","1.0362","","","","has coordinates","278046","2022-09-21","15:45:40",""
"1548802","4.7936","0.0007","12.9828","0.0019","14.632","0.002","90","","92.986","0.002","90","","909.4","0.2","296","2","296","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","1,4-Bis(4-methyl-2-nitrophenoxy)butane","","- C18 H20 N2 O6 -","- C18 H20 N2 O6 -","- C36 H40 N4 O12 -","2","0.5","FF4019","Zhang, Huihui; Wang, Haiyan; Yu, Jianhua","1,4-Bis(4-methyl-2-nitrophenoxy)butane","IUCrData","2017","2","12","x171734","","10.1107/S2414314617017345","","","0.71073","MoKα","","0.0495","0.0427","","","0.1193","0.1236","","","","","","1.076","","","","has coordinates,has disorder,has Fobs","205749","2020-10-21","18:00:00",""
"1548803","20.3655","0.0016","7.6148","0.0007","18.2999","0.0016","90","","99.254","0.003","90","","2801","0.4","296","2","296","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","(2<i>E</i>)-2-[4-(Dimethylamino)benzylidene]-5-methylcyclohexanone","","- C16 H21 N O -","- C16 H21 N O -","- C128 H168 N8 O8 -","8","1","HB4183","Jebapriya, J. Christina; Reuben Jonathan, D.; Prasana, Johanan Christian; Usha, G.","(2<i>E</i>)-2-[4-(Dimethylamino)benzylidene]-5-methylcyclohexanone","IUCrData","2017","2","12","x171706","","10.1107/S2414314617017060","","","0.71073","MoKα","","0.1133","0.073","","","0.1714","0.2176","","","","","","1.07","","","","has coordinates,has Fobs","205750","2020-10-21","18:00:00",""
"1548804","32.3691","0.0016","10.7492","0.0002","13.1332","0.0007","90","","125.578","0.007","90","","3716.6","0.4","293","2","293","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","4,4',4'',4'''-({4'λ^5^,6λ^5^,6'λ^5^-Spiro[dibenzo[<i>d</i>,<i>f</i>][1,3,2]dioxaphosphepine-6,2'-[1,3,5,2,4,6]triazatriphosphinine]-4',4',6',6'-tetrayl}tetrakis(oxy))tetrabenzaldehyde","","- C40 H28 N3 O10 P3 -","- C40 H28 N3 O10 P3 -","- C160 H112 N12 O40 P12 -","4","0.5","HB4178","Hou, Guohui; Zhang, Yumeng; Zhu, Jing; Xiong, Anxian; Wei, Hongliang; Chu, Huijuan","4,4',4'',4'''-({4'λ^5^,6λ^5^,6'λ^5^-Spiro[dibenzo[<i>d</i>,<i>f</i>][1,3,2]dioxaphosphepine-6,2'-[1,3,5,2,4,6]triazatriphosphinine]-4',4',6',6'-tetrayl}tetrakis(oxy))tetrabenzaldehyde","IUCrData","2017","2","12","x171712","","10.1107/S2414314617017126","","","1.54184","CuKα","","0.0515","0.047","","","0.1372","0.1434","","","","","","1.056","","","","has coordinates,has disorder,has Fobs","205751","2020-10-21","18:00:00",""
"1548859","6.6615","0.0001","6.6615","0.0001","5.8023","0.0002","90","","90","","120","","222.985","0.009","","","","","","","","","","","","5","P -3 m 1","-P 3 2""","164","","","centennialite","- Ca Cl2 Cu3 H7.58 O6.79 -","- Ca Cl2 Cu3 H6 O7 -","- Ca Cl2 Cu3 H6 O7 -","1","0.0833333","","Crichton, Wilson A.; Müller, Harald","Centennialite, CaCu3(OH)6Cl2.nH2O, n ≈ 0.7, a new kapellasite-like species, and a reassessment of calumetite","Mineralogical Magazine","2017","81","5","1105","","10.1180/minmag.2016.080.157","","","","","","","","","","","","","","","","","","","","","has coordinates","206105","2020-10-21","18:00:00",""
"1549272","6.3844","0.0004","7.2278","0.0004","9.2965","0.0005","67.26","0.004","72.927","0.004","85.848","0.003","377.8","0.04","293","2","293","2","","","","","","","","6","P -1","-P 1","2","","","","- C H7.89 N O7.45 P V -","- C H7.89 N O7.445 P V -","- C2 H15.78 N2 O14.89 P2 V2 -","2","1","","C. Kouvatas; V. Alonzo; T. Bataille; L. Le Polles; C. Roiland; G. Louarn; E. Le Fur","Synthesis, crystal structure of the ammonium vanadyl oxalatophosphite and its controlled conversion into catalytic vanadyl phosphates","Journal of Solid State Chemistry","2017","253","","73","77","10.1016/j.jssc.2017.05.026","","","0.71069","MoKα","","0.058","0.0444","","","0.1064","0.1114","","","","","","1.082","","","","has coordinates","211137","2020-10-21","18:00:00",""
"1549551","16.233","0.002","6.24","0.001","14.955","0.002","90","","122.45","0.01","90","","1278.3","0.3","293","2","293","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C4 H14 Cu2 O14 P2 -","- C4 H14 Cu2 O14 P2 -","- C16 H56 Cu8 O56 P8 -","4","0.5","","Köferstein, Roberto; Arnold, Michael; Robl, Christian","Synthesis, Crystal Structure, and Characterization of Two Novel One- and Two-Dimensionally Polymeric Copper(II) Phosphonoacetates","Zeitschrift für anorganische und allgemeine Chemie","2017","643","3","276","","10.1002/zaac.201600457","","","0.71073","MoKα","","0.0377","0.0294","","0.0763","0.0742","","","","1.412","1.473","1.473","","","","","has coordinates","215051","2020-10-21","18:00:00",""
"1549552","6.082","0.001","8.001","0.001","10.836","0.001","94.98","0.01","105.71","0.01","109.84","0.01","468.08","0.12","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C2 H12 Cu1.5 O10 P -","- C2 H12 Cu1.5 O10 P -","- C4 H24 Cu3 O20 P2 -","2","1","","Köferstein, Roberto; Arnold, Michael; Robl, Christian","Synthesis, Crystal Structure, and Characterization of Two Novel One- and Two-Dimensionally Polymeric Copper(II) Phosphonoacetates","Zeitschrift für anorganische und allgemeine Chemie","2017","643","3","276","","10.1002/zaac.201600457","","","0.71073","MoKα","","0.0451","0.0291","","0.0565","0.0527","","","","1.143","1.199","1.199","","","","","has coordinates","208343","2020-10-21","18:00:00",""
"1550125","5.434","0.001","5.434","0.001","10.845","0.0003","90","","90","","90","","320.24","0.08","300","","300","","","","","","","","","4","I -4 2 m","I -4 2","121","","","","- Cu2 S4 Sn Zn -","- Cu2 S4 Sn Zn -","- Cu4 S8 Sn2 Zn2 -","2","0.125","","Munoz, M; Vera, E; Pineda, T; Guaspud, J","Synthesis and characterization by solid-state impedance spectroscopy of semiconductor Cu2ZnSnS4 material for photovoltaic technologies","Journal of Physics: Conference Series","2017","786","","1","7","10.1088/1742-6596/786/1/012028","","","1.78901","","","0.0294","0.0294","","0.0741","0.0741","","","","1.6","","","","","","","has coordinates","211665","2020-10-21","18:00:00",""
"1551077","9.6091","0.0002","12.4324","0.0002","2.8498","0.0001","90","","90","","90","","340.449","0.015","","","","","","","","","","","","3","P b a m","-P 2 2ab","55","Mg2Cr2O5","","Mg2Cr2O5 modified ludwigite","- Cr2 Mg2 O5 -","- Cr1.995 Mg2.005 O5 -","- Cr7.98 Mg8.02 O20 -","4","0.5","","Ishii, T.; Tsujino, N.; Arii, H.; Fujino, K.; Miyajima, N.; Kojitani, H.; Kunimoto, T.; Akaogi, M.","A shallow origin of so-called ultrahigh-pressure chromitites, based on single-crystal X-ray structure analysis of the high-pressure Mg2Cr2O5 phase, with modified ludwigite-type structure","American Mineralogist","2017","102","","2113","2118","","","","","","","","","","","","","","","","","","","","","","has coordinates","215348","2020-10-21","18:00:00",""
"1551161","15.3069","0.0005","26.9467","0.0008","31.284","0.001","90","","90","","90","","12903.7","0.7","100","","100","","","","","","","","","5","F d d d","-F 2uv 2vw","70","","","","- C18 H18 In N3 O8 -","- C18 H18 In N3 O8 -","- C288 H288 In16 N48 O128 -","16","","","Carrington, Elliot J.; McAnally, Craig A.; Fletcher, Ashleigh J.; Thompson, Stephen P.; Warren, Mark; Brammer, Lee","Solvent-switchable continuous-breathing behaviour in a diamoniod metal-organic framework and its influence on CO2 vs CH4 selectivity","Nature Chemistry","2017","9","","882","889","10.1038/nchem.2747","","","0.71073","MoKα","","0.061","0.0523","","","0.1834","0.1961","","","","","","1.204","","","","has coordinates,has disorder","215550","2020-10-21","18:00:00",""
"1551370","22.586","0.005","12.292","0.003","29.421","0.006","90","","92.34","0.03","90","","8161","3","100","2","100","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- F6 K6 Mn Na3 O76 W17 -","- F6 K6 Mn Na3 O76 W17 -","- F24 K24 Mn4 Na12 O304 W68 -","4","0.5","","Roy E. Schreiber; Lothar Houben; Sharon G. Wolf; Gregory Leitus; Zhong-Ling Lang; Jorge J. Carbo; Josep M. Poblet; Ronny Neumann","Real-time molecular scale observation of crystal formation","Nature Chemistry","2017","9","","369","373","10.1038/nchem.2675","","","0.71073","MoKα","","0.0859","0.0499","","","0.1118","0.1288","","","","","","1.02","","","","has coordinates","215888","2020-10-21","18:00:00",""
"1551371","17.983","0.004","18.413","0.004","22.333","0.005","90","","90","","90","","7395","3","100","2","100","2","","","","","","","","7","C m c e","-C 2ac 2","64","","","","- Cs11 F12 K5 Mn2 Na2 O128 W34 -","- Cs11 F12 K5 Mn1.9992 Na2 O128 W34.0008 -","- Cs22 F24 K10 Mn3.9984 Na4 O255.999 W68.0016 -","2","0.125","","Roy E. Schreiber; Lothar Houben; Sharon G. Wolf; Gregory Leitus; Zhong-Ling Lang; Jorge J. Carbo; Josep M. Poblet; Ronny Neumann","Real-time molecular scale observation of crystal formation","Nature Chemistry","2017","9","","369","373","10.1038/nchem.2675","","","0.71073","MoKα","","0.0951","0.0787","","","0.1908","0.2001","","","","","","1.178","","","","has coordinates,has disorder","215889","2020-10-21","18:00:00",""
"1551392","48.517","0.005","48.517","0.005","64.134","0.007","90","","90","","120","","130740","2","100","2","100","2","","","","","","","","8","R -3 :H","-R 3","148","","","","- C628.5 H496.5 B115.5 Co12 F81 N117 O54 S27 -","- C586.5 H489.75 B126 Co12 N101.25 -","- C3519 H2938.5 B756 Co72 N607.5 -","6","0.333333","","Felix J. Rizzuto; Jonathan R. Nitschke","Stereochemical plasticity modulates cooperative binding in a CoII12L6 cuboctahedron","Nature Chemistry","2017","10","","903","908","10.1038/nchem.2758","","","0.6889","synchrotron","","0.1767","0.1491","","","0.3782","0.3995","","","","","","1.208","","","","has coordinates,has disorder","215921","2020-10-21","18:00:00",""
"1551393","26.438","0.013","30.374","0.016","31.047","0.01","67.3","0.04","84.86","0.04","78.93","0.07","22569","2","100","2","100","2","","","","","","","","6","P -1","-P 1","2","","","","- C764 H707 B264 Co12 N115 O -","- C744 H693.244 B276 Co12 N117 O -","- C744 H693.244 B276 Co12 N117 O -","1","0.5","","Felix J. Rizzuto; Jonathan R. Nitschke","Stereochemical plasticity modulates cooperative binding in a CoII12L6 cuboctahedron","Nature Chemistry","2017","10","","903","908","10.1038/nchem.2758","","","0.6889","synchrotron","","0.1467","0.1303","","","0.3477","0.3628","","","","","","0.988","","","","has coordinates,has disorder","215922","2020-10-21","18:00:00",""
"1551394","40.2042","0.0009","54.2465","0.0018","40.2935","0.0009","90","","90.408","0.002","90","","87875","4","100","2","100","2","","","","","","","","8","P 1 21/n 1","-P 2yn","14","","","","- C618 H355.5 B5.5 Co12 F133 N117 O74 S37 -","- C581 H355.5 B5.5 Co12 F22 N98.5 -","- C2324 H1422 B22 Co48 F88 N394 -","4","1","","Felix J. Rizzuto; Jonathan R. Nitschke","Stereochemical plasticity modulates cooperative binding in a CoII12L6 cuboctahedron","Nature Chemistry","2017","10","","903","908","10.1038/nchem.2758","","","0.6889","synchrotron","","0.1676","0.1492","","","0.3951","0.4133","","","","","","1.289","","","","has coordinates,has disorder","215923","2020-10-21","18:00:00",""
"1551423","17.2768","0.0002","17.2768","0.0002","20.4482","0.0003","90","","90","","90","","6103.54","0.13","100","0.2","100","0.2","","","","","","","","7","I -4 2 m","I -4 2","121","","","","- C80 H104 Ag12 F12 N8 O16.8 S8 -","- C80 H104 Ag12 F12 N8 O16.8 S8 -","- C160 H208 Ag24 F24 N16 O33.6 S16 -","2","0.125","","Ren-Wu Huang; Yong-Sheng Wei; Xi-Yan Dong; Xiao-Hui Wu; Chen-Xia Du; Shuang-Quan Zang; Thomas C. W. Mak","Hypersensitive dual-function luminescence switching of a silver-chalcogenolate cluster-based metal-organic framework","Nature Chemistry","2017","9","","689","697","10.1038/nchem.2718","","x-ray","1.54184","CuKα","","0.0448","0.0444","","","0.1177","0.1179","","","","","","1.21","","","","has coordinates,has disorder","215961","2020-10-21","18:00:00",""
"1551424","17.2793","0.0003","17.2793","0.0003","19.8246","0.0006","90","","90","","90","","5919.1","0.2","100.01","0.1","100.01","0.1","","","","","","","","7","I -4 2 m","I -4 2","121","","","","- C88 H128 Ag12 F12 N8 O12 S8 -","- C88 H128 Ag12 F12 N8 O12 S8 -","- C176 H256 Ag24 F24 N16 O24 S16 -","2","0.125","","Ren-Wu Huang; Yong-Sheng Wei; Xi-Yan Dong; Xiao-Hui Wu; Chen-Xia Du; Shuang-Quan Zang; Thomas C. W. Mak","Hypersensitive dual-function luminescence switching of a silver-chalcogenolate cluster-based metal-organic framework","Nature Chemistry","2017","9","","689","697","10.1038/nchem.2718","","x-ray","1.54184","CuKα","","0.0419","0.0403","","","0.1038","0.1052","","","","","","1.036","","","","has coordinates,has disorder","215962","2020-10-21","18:00:00",""
"1551425","17.1887","0.0003","17.1887","0.0003","20.4219","0.0019","90","","90","","90","","6033.7","0.6","100","0.05","100","0.05","","","","","","","","8","I -4 2 m","I -4 2","121","","","","- C84 H108 Ag12 Cl12 F12 N8 O8 S8 -","- C84 H108 Ag12 Cl12 F12 N8 O8 S8 -","- C168 H216 Ag24 Cl24 F24 N16 O16 S16 -","2","0.125","","Ren-Wu Huang; Yong-Sheng Wei; Xi-Yan Dong; Xiao-Hui Wu; Chen-Xia Du; Shuang-Quan Zang; Thomas C. W. Mak","Hypersensitive dual-function luminescence switching of a silver-chalcogenolate cluster-based metal-organic framework","Nature Chemistry","2017","9","","689","697","10.1038/nchem.2718","","","0.71073","MoKα","","0.0827","0.0526","","","0.1107","0.1251","","","","","","1.066","","","","has coordinates,has disorder","215963","2020-10-21","18:00:00",""
"1551426","17.3814","0.0001","17.3814","0.0001","20.0977","0.0003","90","","90","","90","","6071.78","0.1","210","0.1","210","0.1","","","","","","","","7","I -4 2 m","I -4 2","121","","","","- C82.4 H107.6 Ag12 F12 N9.2 O6 S8 -","- C82.4 H107.6 Ag12 F12 N9.2 O6 S8 -","- C164.8 H215.2 Ag24 F24 N18.4 O12 S16 -","2","0.125","","Ren-Wu Huang; Yong-Sheng Wei; Xi-Yan Dong; Xiao-Hui Wu; Chen-Xia Du; Shuang-Quan Zang; Thomas C. W. Mak","Hypersensitive dual-function luminescence switching of a silver-chalcogenolate cluster-based metal-organic framework","Nature Chemistry","2017","9","","689","697","10.1038/nchem.2718","","x-ray","0.71073","MoKα","","0.0398","0.0338","","","0.0927","0.0966","","","","","","1.072","","","","has coordinates,has disorder","215964","2020-10-21","18:00:00",""
"1551427","17.27","0.002","17.27","0.002","20.04","0.004","90","","90","","90","","5977","1.5","180","0.1","180","0.1","","","","","","","","7","I -4 2 m","I -4 2","121","","","","- C83 H110 Ag12 F12 N8 O9 S8 -","- C83 H108 Ag12 F12 N8 O9 S8 -","- C166 H216 Ag24 F24 N16 O18 S16 -","2","0.125","","Ren-Wu Huang; Yong-Sheng Wei; Xi-Yan Dong; Xiao-Hui Wu; Chen-Xia Du; Shuang-Quan Zang; Thomas C. W. Mak","Hypersensitive dual-function luminescence switching of a silver-chalcogenolate cluster-based metal-organic framework","Nature Chemistry","2017","9","","689","697","10.1038/nchem.2718","","x-ray","0.71073","MoKα","","0.0599","0.0512","","","0.1183","0.1218","","","","","","1.195","","","","has coordinates,has disorder","215965","2020-10-21","18:00:00",""
"1551428","17.2498","0.0003","17.2498","0.0003","21.101","0.0016","90","","90","","90","","6278.7","0.5","100.3","0.5","100.3","0.5","","","","","","","","7","I -4 2 m","I -4 2","121","","","","- C98 H140 Ag12 F12 N8 O8 S8 -","- C98 H140 Ag12 F12 N8 O8 S8 -","- C196 H280 Ag24 F24 N16 O16 S16 -","2","0.125","","Ren-Wu Huang; Yong-Sheng Wei; Xi-Yan Dong; Xiao-Hui Wu; Chen-Xia Du; Shuang-Quan Zang; Thomas C. W. Mak","Hypersensitive dual-function luminescence switching of a silver-chalcogenolate cluster-based metal-organic framework","Nature Chemistry","2017","9","","689","697","10.1038/nchem.2718","","","0.71073","MoKα","","0.0723","0.0514","","","0.1061","0.1149","","","","","","1.044","","","","has coordinates,has disorder","215966","2020-10-21","18:00:00",""
"1551429","15.4518","0.0004","15.8621","0.0004","17.9312","0.0004","91.3274","0.0019","95.0852","0.0019","94.9884","0.0019","4358.91","0.19","279.99","0.1","279.99","0.1","","","","","","","","7","P -1","-P 1","2","","","","- C50 H75 Ag12 F18 N7 O12 S6 -","- C50 H75 Ag12 F17.9997 N7 O12 S6 -","- C100 H150 Ag24 F35.9994 N14 O24 S12 -","2","1","","Ren-Wu Huang; Yong-Sheng Wei; Xi-Yan Dong; Xiao-Hui Wu; Chen-Xia Du; Shuang-Quan Zang; Thomas C. W. Mak","Hypersensitive dual-function luminescence switching of a silver-chalcogenolate cluster-based metal-organic framework","Nature Chemistry","2017","9","","689","697","10.1038/nchem.2718","","x-ray","0.71073","MoKα","","0.0447","0.033","","","0.0859","0.0925","","","","","","1.035","","","","has coordinates,has disorder","215967","2020-10-21","18:00:00",""
"1551430","17.34149","0.00013","17.34149","0.00013","20.1671","0.0004","90","","90","","90","","6064.8","0.14","290","0.1","290","0.1","","","","","","","","7","I -4 2 m","I -4 2","121","","","","- C80 H104 Ag12 F12 N8 O8 S8 -","- C80 H104 Ag12 F12 N8 O8 S8 -","- C160 H208 Ag24 F24 N16 O16 S16 -","2","0.125","","Ren-Wu Huang; Yong-Sheng Wei; Xi-Yan Dong; Xiao-Hui Wu; Chen-Xia Du; Shuang-Quan Zang; Thomas C. W. Mak","Hypersensitive dual-function luminescence switching of a silver-chalcogenolate cluster-based metal-organic framework","Nature Chemistry","2017","9","","689","697","10.1038/nchem.2718","","x-ray","1.54184","CuKα","","0.0349","0.0319","","","0.0812","0.0831","","","","","","1.062","","","","has coordinates,has disorder","215968","2020-10-21","18:00:00",""
"1551431","17.29649","0.00013","17.29649","0.00013","19.8753","0.0003","90","","90","","90","","5946.07","0.11","100","0.2","100","0.2","","","","","","","","7","I -4 2 m","I -4 2","121","","","","- C80 H104 Ag12 F12 N8 O8 S8 -","- C80 H104 Ag12 F12 N8 O8 S8 -","- C160 H208 Ag24 F24 N16 O16 S16 -","2","0.125","","Ren-Wu Huang; Yong-Sheng Wei; Xi-Yan Dong; Xiao-Hui Wu; Chen-Xia Du; Shuang-Quan Zang; Thomas C. W. Mak","Hypersensitive dual-function luminescence switching of a silver-chalcogenolate cluster-based metal-organic framework","Nature Chemistry","2017","9","","689","697","10.1038/nchem.2718","","x-ray","1.54184","CuKα","","0.0653","0.065","","","0.1584","0.1589","","","","","","1.228","","","","has coordinates,has disorder","215969","2020-10-21","18:00:00",""
"1551432","17.33048","0.00014","17.33048","0.00014","20.251","0.0004","90","","90","","90","","6082.3","0.14","289.96","0.15","289.96","0.15","","","","","","","","7","I -4 2 m","I -4 2","121","","","","- C80 H104 Ag12 F12 N8 O8 S8 -","- C80 H104 Ag12 F12 N8 O8 S8 -","- C160 H208 Ag24 F24 N16 O16 S16 -","2","0.125","","Ren-Wu Huang; Yong-Sheng Wei; Xi-Yan Dong; Xiao-Hui Wu; Chen-Xia Du; Shuang-Quan Zang; Thomas C. W. Mak","Hypersensitive dual-function luminescence switching of a silver-chalcogenolate cluster-based metal-organic framework","Nature Chemistry","2017","9","","689","697","10.1038/nchem.2718","","x-ray","1.54184","CuKα","","0.0335","0.0316","","","0.0846","0.0861","","","","","","1.071","","","","has coordinates,has disorder","215970","2020-10-21","18:00:00",""
"1551433","17.1785","0.0002","17.1785","0.0002","20.8487","0.0005","90","","90","","90","","6152.47","0.18","100","0.1","100","0.1","","","","","","","","7","I -4 2 m","I -4 2","121","","","","- C96 H136 Ag12 F12 N8 O16 S8 -","- C96 H136 Ag12 F12 N8 O16 S8 -","- C192 H272 Ag24 F24 N16 O32 S16 -","2","0.125","","Ren-Wu Huang; Yong-Sheng Wei; Xi-Yan Dong; Xiao-Hui Wu; Chen-Xia Du; Shuang-Quan Zang; Thomas C. W. Mak","Hypersensitive dual-function luminescence switching of a silver-chalcogenolate cluster-based metal-organic framework","Nature Chemistry","2017","9","","689","697","10.1038/nchem.2718","","x-ray","0.71073","MoKα","","0.036","0.0359","","","0.0925","0.0925","","","","","","1.251","","","","has coordinates,has disorder","215971","2020-10-21","18:00:00",""
"1551434","17.298","0.0001","17.298","0.0001","20.5393","0.0004","90","","90","","90","","6145.79","0.13","100.01","0.1","100.01","0.1","","","","","","","","7","I -4 2 m","I -4 2","121","","","","- C104 H128 Ag12 F12 N8 O8 S8 -","- C104 H128 Ag12 F12 N8 O8 S8 -","- C208 H256 Ag24 F24 N16 O16 S16 -","2","0.125","","Ren-Wu Huang; Yong-Sheng Wei; Xi-Yan Dong; Xiao-Hui Wu; Chen-Xia Du; Shuang-Quan Zang; Thomas C. W. Mak","Hypersensitive dual-function luminescence switching of a silver-chalcogenolate cluster-based metal-organic framework","Nature Chemistry","2017","9","","689","697","10.1038/nchem.2718","","","0.71073","MoKα","","0.0359","0.0282","","","0.0576","0.06","","","","","","1.051","","","","has coordinates,has disorder","215972","2020-10-21","18:00:00",""
"1551435","17.26652","0.00013","17.26652","0.00013","20.5352","0.0003","90","","90","","90","","6122.21","0.11","100.2","0.6","100.2","0.6","","","","","","","","7","I -4 2 m","I -4 2","121","","","","- C94 H120 Ag12 F12 N8 O8 S8 -","- C93 H119 Ag12 F12 N8 O8 S8 -","- C186 H238 Ag24 F24 N16 O16 S16 -","2","0.125","","Ren-Wu Huang; Yong-Sheng Wei; Xi-Yan Dong; Xiao-Hui Wu; Chen-Xia Du; Shuang-Quan Zang; Thomas C. W. Mak","Hypersensitive dual-function luminescence switching of a silver-chalcogenolate cluster-based metal-organic framework","Nature Chemistry","2017","9","","689","697","10.1038/nchem.2718","","x-ray","0.71073","MoKα","","0.0477","0.0387","","","0.0842","0.0874","","","","","","1.108","","","","has coordinates,has disorder","215973","2020-10-21","18:00:00",""
"1551436","17.3073","0.0006","17.3073","0.0006","20.4745","0.0009","90","","90","","90","","6133","0.4","100.1","","100.1","","","","","","","","","7","I -4 2 m","I -4 2","121","","","","- C104 H124 Ag12 F16 N8 O8 S8 -","- C104 H124 Ag12 F16 N8 O8 S8 -","- C208 H248 Ag24 F32 N16 O16 S16 -","2","0.125","","Ren-Wu Huang; Yong-Sheng Wei; Xi-Yan Dong; Xiao-Hui Wu; Chen-Xia Du; Shuang-Quan Zang; Thomas C. W. Mak","Hypersensitive dual-function luminescence switching of a silver-chalcogenolate cluster-based metal-organic framework","Nature Chemistry","2017","9","","689","697","10.1038/nchem.2718","","","0.71073","MoKα","","0.0214","0.0206","","","0.0559","0.0566","","","","","","1.077","","","","has coordinates,has disorder","215974","2020-10-21","18:00:00",""
"1551437","17.23734","0.00016","17.23734","0.00016","20.5923","0.0004","90","","90","","90","","6118.51","0.14","99.6","0.2","99.6","0.2","","","","","","","","8","I -4 2 m","I -4 2","121","","","","- C92 H114 Ag12 Cl2 F12 N8 O8 S8 -","- C90 H113 Ag12 Cl F12 N8 O8 S8 -","- C180 H226 Ag24 Cl2 F24 N16 O16 S16 -","2","0.125","","Ren-Wu Huang; Yong-Sheng Wei; Xi-Yan Dong; Xiao-Hui Wu; Chen-Xia Du; Shuang-Quan Zang; Thomas C. W. Mak","Hypersensitive dual-function luminescence switching of a silver-chalcogenolate cluster-based metal-organic framework","Nature Chemistry","2017","9","","689","697","10.1038/nchem.2718","","x-ray","0.71073","MoKα","","0.0355","0.0334","","","0.0867","0.088","","","","","","1.097","","","","has coordinates,has disorder","215975","2020-10-21","18:00:00",""
"1551438","17.2292","0.0003","17.2292","0.0003","20.5453","0.0009","90","","90","","90","","6098.8","0.3","100.15","0.1","100.15","0.1","","","","","","","","8","I -4 2 m","I -4 2","121","","","","- C92 H114 Ag12 Br2 F12 N8 O8 S8 -","- C90 H113 Ag12 Br F12 N8 O8 S8 -","- C180 H226 Ag24 Br2 F24 N16 O16 S16 -","2","0.125","","Ren-Wu Huang; Yong-Sheng Wei; Xi-Yan Dong; Xiao-Hui Wu; Chen-Xia Du; Shuang-Quan Zang; Thomas C. W. Mak","Hypersensitive dual-function luminescence switching of a silver-chalcogenolate cluster-based metal-organic framework","Nature Chemistry","2017","9","","689","697","10.1038/nchem.2718","","","0.71073","MoKα","","0.059","0.0433","","","0.0939","0.1008","","","","","","1.05","","","","has coordinates,has disorder","215976","2020-10-21","18:00:00",""
"1551439","17.2105","0.0002","17.2105","0.0002","20.6982","0.0008","90","","90","","90","","6130.8","0.3","100","","100","","","","","","","","","8","I -4 2 m","I -4 2","121","","","","- C92 H114 Ag12 F12 I2 N8 O8 S8 -","- C90 H113 Ag12 F12 I N8 O8 S8 -","- C180 H226 Ag24 F24 I2 N16 O16 S16 -","2","0.125","","Ren-Wu Huang; Yong-Sheng Wei; Xi-Yan Dong; Xiao-Hui Wu; Chen-Xia Du; Shuang-Quan Zang; Thomas C. W. Mak","Hypersensitive dual-function luminescence switching of a silver-chalcogenolate cluster-based metal-organic framework","Nature Chemistry","2017","9","","689","697","10.1038/nchem.2718","","","0.71073","MoKα","","0.0666","0.0552","","","0.151","0.1583","","","","","","1.112","","","","has coordinates,has disorder","215977","2020-10-21","18:00:00",""
"1551440","17.2348","0.0003","17.2348","0.0003","20.8923","0.0009","90","","90","","90","","6205.8","0.3","100.3","0.5","100.3","0.5","","","","","","","","7","I -4 2 m","I -4 2","121","","","","- C96 H124 Ag12 F12 N8 O8 S8 -","- C96 H124 Ag12 F12 N8 O8 S8 -","- C192 H248 Ag24 F24 N16 O16 S16 -","2","0.125","","Ren-Wu Huang; Yong-Sheng Wei; Xi-Yan Dong; Xiao-Hui Wu; Chen-Xia Du; Shuang-Quan Zang; Thomas C. W. Mak","Hypersensitive dual-function luminescence switching of a silver-chalcogenolate cluster-based metal-organic framework","Nature Chemistry","2017","9","","689","697","10.1038/nchem.2718","","x-ray","0.71073","MoKα","","0.0725","0.0559","","","0.1293","0.1387","","","","","","1.083","","","","has coordinates,has disorder","215978","2020-10-21","18:00:00",""
"1551441","17.2529","0.0003","17.2529","0.0003","20.6795","0.0007","90","","90","","90","","6155.5","0.3","100","0.1","100","0.1","","","","","","","","7","I -4 2 m","I -4 2","121","","","","- C96 H124 Ag12 F12 N8 O8 S8 -","- C96 H124 Ag12 F12 N8 O8 S8 -","- C192 H248 Ag24 F24 N16 O16 S16 -","2","0.125","","Ren-Wu Huang; Yong-Sheng Wei; Xi-Yan Dong; Xiao-Hui Wu; Chen-Xia Du; Shuang-Quan Zang; Thomas C. W. Mak","Hypersensitive dual-function luminescence switching of a silver-chalcogenolate cluster-based metal-organic framework","Nature Chemistry","2017","9","","689","697","10.1038/nchem.2718","","x-ray","0.71073","MoKα","","0.0446","0.0442","","","0.1201","0.1204","","","","","","1.149","","","","has coordinates,has disorder","215979","2020-10-21","18:00:00",""
"1551442","17.2603","0.0001","17.2603","0.0001","20.5849","0.0005","90","","90","","90","","6132.61","0.16","100","0.1","100","0.1","","","","","","","","7","I -4 2 m","I -4 2","121","","","","- C96 H124 Ag12 F12 N8 O8 S8 -","- C92 H124 Ag12 F12 N8 O8 S8 -","- C184 H248 Ag24 F24 N16 O16 S16 -","2","0.125","","Ren-Wu Huang; Yong-Sheng Wei; Xi-Yan Dong; Xiao-Hui Wu; Chen-Xia Du; Shuang-Quan Zang; Thomas C. W. Mak","Hypersensitive dual-function luminescence switching of a silver-chalcogenolate cluster-based metal-organic framework","Nature Chemistry","2017","9","","689","697","10.1038/nchem.2718","","x-ray","0.71073","MoKα","","0.0248","0.0223","","","0.0537","0.0545","","","","","","1.031","","","","has coordinates,has disorder","215980","2020-10-21","18:00:00",""
"1551483","25.4839","0.0007","33.5954","0.001","37.4035","0.001","89.22","0.002","83.44","0.002","80.438","0.002","31370.6","1.5","100","2","100","2","","","","","","","","6","P -1","-P 1","2","","","","- C336 H264 F96 Fe8 N96 Sb16 -","- C336 H264 F26.7 Fe8 N96 Sb4.45 -","- C672 H528 F53.4 Fe16 N192 Sb8.9 -","2","1","","Ben S. Pilgrim; Derrick A. Roberts; Thorsten G. Lohr; Tanya K. Ronson; Jonathan R. Nitschke","Signal transduction in a covalent post-assembly modification cascade","Nature Chemistry","2017","9","","1276","1281","10.1038/nchem.2839","","","0.6889","synchrotron","","0.1772","0.1408","","","0.3916","0.4176","","","","","","1.137","","","","has coordinates,has disorder","216055","2020-10-21","18:00:00",""
"1551484","22.2379","0.001","22.4501","0.0009","30.1489","0.0016","69.385","0.002","86.301","0.003","78.614","0.002","13810.4","1.1","180","2","180","2","","","","","","","","7","P -1","-P 1","2","","","","- C232 H194.5 F48 Fe4 N42.5 O24.5 P8 -","- C232 H194.5 F42 Fe4 N42.5 O24.5 P7 -","- C464 H389 F84 Fe8 N85 O49 P14 -","2","1","","Ben S. Pilgrim; Derrick A. Roberts; Thorsten G. Lohr; Tanya K. Ronson; Jonathan R. Nitschke","Signal transduction in a covalent post-assembly modification cascade","Nature Chemistry","2017","9","","1276","1281","10.1038/nchem.2839","","","1.54178","CuKα","","0.1689","0.1232","","","0.3327","0.3803","","","","","","1.261","","","","has coordinates,has disorder","216056","2020-10-21","18:00:00",""
"1551485","53.942","0.002","28.539","0.0007","41.2325","0.0015","90","","90.231","0.003","90","","63475","4","100","2","100","2","","","","","","","","7","C 1 2/c 1","-C 2yc","15","","","","- C279 H244.5 As8 F48 Fe4 N37.5 O24 -","- C279 H244.5 As6.8 F40.8 Fe4 N37.5 O24 -","- C2232 H1956 As54.4 F326.4 Fe32 N300 O192 -","8","1","","Ben S. Pilgrim; Derrick A. Roberts; Thorsten G. Lohr; Tanya K. Ronson; Jonathan R. Nitschke","Signal transduction in a covalent post-assembly modification cascade","Nature Chemistry","2017","9","","1276","1281","10.1038/nchem.2839","","","0.6889","synchrotron","","0.1627","0.1431","","","0.372","0.3909","","","","","","1.114","","","","has coordinates,has disorder","216057","2020-10-21","18:00:00",""
"1551543","29.47019","0.00018","17.3534","0.00007","38.00346","0.00016","90","","103.98","0.0007","90","","18859.6","0.17","100","","100","","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C276 H174 Co6 P6 Te8 -","- C276.12 H174 Co6 P6 Te8 -","- C1104.48 H696 Co24 P24 Te32 -","4","0.5","","Evan S. O'Brien; M. Tuan Trinh; Rose L. Kann; Jia Chen; Giselle A. Elbaz; Amrita Masurkar; Timothy L. Atallah; Maria V. Paley; Nilam Patel; Daniel W. Paley; Ioannis Kymissis; Andrew C. Crowther; Andrew J. Millis; David R. Reichman; X.-Y. Zhu; Xavier Roy","Single-crystal-to-single-crystal intercalation of a low-bandgap superatomic crystal","Nature Chemistry","2017","9","","1170","1174","10.1038/nchem.2844","","x-ray","0.71073","MoKα","","0.0594","0.0472","","","0.1156","0.1246","","","","","","1.066","","","","has coordinates,has disorder","216153","2020-10-21","18:00:00",""
"1551544","16.9985","0.0004","16.9985","0.0004","55.684","0.0015","90","","90","","120","","13934.2","0.6","100","","100","","","","","","","","","5","R -3 m :H","-R 3 2""","166","","","","- C234 H126 Co6 P6 Te8 -","- C234 H126 Co6 P6 Te8 -","- C702 H378 Co18 P18 Te24 -","3","0.0833333","","Evan S. O'Brien; M. Tuan Trinh; Rose L. Kann; Jia Chen; Giselle A. Elbaz; Amrita Masurkar; Timothy L. Atallah; Maria V. Paley; Nilam Patel; Daniel W. Paley; Ioannis Kymissis; Andrew C. Crowther; Andrew J. Millis; David R. Reichman; X.-Y. Zhu; Xavier Roy","Single-crystal-to-single-crystal intercalation of a low-bandgap superatomic crystal","Nature Chemistry","2017","9","","1170","1174","10.1038/nchem.2844","","x-ray","0.71073","MoKα","","0.1076","0.0933","","","0.2857","0.3068","","","","","","1.066","","","","has coordinates,has disorder","216154","2020-10-21","18:00:00",""
"1551545","26.5695","0.001","17.056","0.0005","21.1219","0.0008","90","","104.26","0.004","90","","9276.9","0.6","102","4","102","4","","","","","","","","6","I 1 2/m 1","-I 2y","12","","","","- C246 H126 Co6 N8 P6 Te8 -","- C246 H126 Co6 N8 P6 Te8 -","- C492 H252 Co12 N16 P12 Te16 -","2","0.25","","Evan S. O'Brien; M. Tuan Trinh; Rose L. Kann; Jia Chen; Giselle A. Elbaz; Amrita Masurkar; Timothy L. Atallah; Maria V. Paley; Nilam Patel; Daniel W. Paley; Ioannis Kymissis; Andrew C. Crowther; Andrew J. Millis; David R. Reichman; X.-Y. Zhu; Xavier Roy","Single-crystal-to-single-crystal intercalation of a low-bandgap superatomic crystal","Nature Chemistry","2017","9","","1170","1174","10.1038/nchem.2844","","x-ray","1.54184","CuKα","","0.1162","0.1048","","","0.2802","0.2957","","","","","","1.19","","","","has coordinates,has disorder","216155","2020-10-21","18:00:00",""
"1551572","18.321","0.008","13.543","0.006","18.649","0.009","90","0.008","108.372","0.008","90","0.009","4391","3","90","2","90","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C44 H58 N4 Ni2 O11 -","- C44 H58 N4 Ni2 O11 -","- C176 H232 N16 Ni8 O44 -","4","0.5","","LIM, Jongwan; SHIN, Yunseok; HAN, Junhee; RYU, Sanghoon; MITSUHASHI, Ryoji; MIKURIYA, Masahiro","Di-μ-phenolato-μ-aqua-bridged Dinuclear Nickel(II) Complex with <i>N,N</i>′-Disalicylidene-2,2′-(ethylenedioxy)bis(ethylamine)","X-ray Structure Analysis Online","2017","33","0","5","","10.2116/xraystruct.33.5","","","0.71073","MoKα","","0.0526","0.0347","","","0.07","0.0736","","","","","","0.875","","","","has coordinates","216182","2020-10-21","18:00:00",""
"1551573","12.154","0.003","11.821","0.003","15.945","0.004","90","","112.214","0.003","90","","2120.8","0.9","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C34 H48 N4 Ni4 O10 -","- C34 H48 N4 Ni4 O10 -","- C68 H96 N8 Ni8 O20 -","2","0.5","","MIKURIYA, Masahiro; TAKEUCHI, Masahiro; YOSHIOKA, Daisuke","Tetranuclear Nickel(II) Complex with an Unsymmetrical Pentadentate Schiff-base Ligand Having a Defective Double-Cubane Core","X-ray Structure Analysis Online","2017","33","0","31","","10.2116/xraystruct.33.31","","","0.71073","MoKα","","0.06","0.0363","","","0.0926","0.1022","","","","","","0.952","","","","has coordinates","216183","2020-10-21","18:00:00",""
"1551574","10.676","0.002","10.017","0.002","24.438","0.006","90","","100.89","0.01","90","","2566.4","0.9","130","","130","","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","4-(Bis(4-hydroxy-2-oxo-2H-chromen-3-yl)methyl)benzoic acid","","- C30 H24 O9 -","- C30 H24 O9 -","- C120 H96 O36 -","4","1","","DOCHEV, Stefan; ROLLER, Alexander; MILUNOVIC, Miljan; MANOLOV, Ilia","Synthesis and Crystal Structure of 4-(Bis(4-hydroxy-2-oxo-2<i>H</i>-chromen-3-yl)methyl)benzoic Acid","X-ray Structure Analysis Online","2017","33","0","53","","10.2116/xraystruct.33.53","","x-ray","0.71073","MoKα","","0.1119","0.0609","","","0.135","0.1579","","","","","","1.045","","","","has coordinates,has disorder","216184","2020-10-21","18:00:00",""
"1551575","7.9064","0.0002","13.7091","0.0004","20.7535","0.0006","90.87","0.002","92.579","0.002","93.419","0.002","2242.83","0.11","100","2","100","2","","","","","","","","7","P -1","-P 1","2","","","","- C48 H58 B F4 Fe N6 O2 -","- C48 H58 B F4 Fe N6 O2 -","- C96 H116 B2 F8 Fe2 N12 O4 -","2","1","","IDE, Yuki; YAMADA, Yuya; MORI, Shigeki; IKEUE, Takahisa","Crystal Structure of a Six-coordinated (2,3,7,8,12,13,17,18-Octaethylporphyrinato)iron(III) Complex with Two 4-Methylpyridine <i>N</i>-Oxides","X-ray Structure Analysis Online","2017","33","0","25","","10.2116/xraystruct.33.25","","","0.71075","MoKα","","0.0773","0.0517","","","0.1062","0.1167","","","","","","1.029","","","","has coordinates,has disorder","216185","2020-10-21","18:00:00",""
"1551576","17.6548","0.0012","19.0788","0.0013","9.2011","0.0009","90","","103.547","0.002","90","","3013","0.4","298","2","298","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C32 H30 N4 Ni O8 -","- C32 H30 N4 Ni O8 -","- C128 H120 N16 Ni4 O32 -","4","0.5","","UEJI, Kan; SHINOZAKI, Satsuki; MIYAMURA, Kazuo","Crystal Structure of the Bis[bis(<i>p</i>-methoxyphenyl)glyoximato]nickel(II) Complex","X-ray Structure Analysis Online","2017","33","0","71","","10.2116/xraystruct.33.71","","","0.71073","MoKα","","0.153","0.0683","","","0.1454","0.1821","","","","","","1.019","","","","has coordinates","216186","2020-10-21","18:00:00",""
"1551577","17.975","0.002","18.894","0.002","9.2081","0.0011","90","","113.728","0.002","90","","2862.9","0.6","293","2","293","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C14 H17 Cu N4 O1.5 -","- C14 H14 Cu N4 O1.5 -","- C112 H112 Cu8 N32 O12 -","8","1","","MIKURIYA, Masahiro; HARA, Masashi; YOSHIOKA, Daisuke; MITSUHASHI, Ryoji","Dinuclear Assembly in a Copper(II) Complex with 1,3-Bis(pyrrole-2-methylideneamino)-2-propanol","X-ray Structure Analysis Online","2017","33","0","67","","10.2116/xraystruct.33.67","","","0.71073","MoKα","","0.0395","0.032","","","0.0957","0.0991","","","","","","1.073","","","","has coordinates","216187","2020-10-21","18:00:00",""
"1551578","15.2889","0.0004","15.8587","0.0004","16.2403","0.0005","84.596","0.002","63.769","0.003","84.162","0.002","3508.49","0.19","100","2","100","2","","","","","","","","6","P -1","-P 1","2","","","","- C72 H72 Cl7 Fe N6 O6 -","- C72 H72 Cl7 Fe N6 O6 -","- C144 H144 Cl14 Fe2 N12 O12 -","2","1","","IDE, Yuki; HOSODA, Haruka; ISHIMAE, Hiroki; MORI, Shigeki; IKEUE, Takahisa","Crystal Structure of a Six-coordinated [5,10,15,20-Tetrakis(2,4,6-trimethylphenyl)porphyrinato-<i>k</i><sup>4</sup><i>N</i>]iron(III) Complex with Two 3,5-Dimethylpyridine <i>N</i>-Oxides","X-ray Structure Analysis Online","2017","33","0","49","","10.2116/xraystruct.33.49","","","0.71075","MoKα","","0.1012","0.0628","","","0.1327","0.1517","","","","","","1.023","","","","has coordinates,has disorder","216188","2020-10-21","18:00:00",""
"1551579","10.178","0.003","13.357","0.004","8.845","0.003","90","","98.613","0.005","90","","1188.9","0.6","298","2","298","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C9 H12 N2 S3 -","- C9 H12 N2 S3 -","- C36 H48 N8 S12 -","4","1","","OSMAN, Uwaisulqarni M.; TAHIR, M. Ibrahim M.; CROUSE, Karen A.; RAVOOF, Thahira Begum S. A.","Crystal Structure of Methyl-<i>N</i>′-[1-(thiophen-2-yl)propylidene]hydrazinecarbodithioate","X-ray Structure Analysis Online","2017","33","0","57","","10.2116/xraystruct.33.57","","","0.71073","MoKα","","0.0373","0.0336","","","0.0894","0.0928","","","","","","1.069","","","","has coordinates","216189","2020-10-21","18:00:00",""
"1551580","9.364","0.003","17.725","0.005","7.753","0.002","90","","105.004","0.005","90","","1242.9","0.6","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C13 H14 N2 Ni O4 -","- C13 H14 N2 Ni O4 -","- C52 H56 N8 Ni4 O16 -","4","1","","MIKURIYA, Masahiro; TAKEUCHI, Masahiro; YOSHIOKA, Daisuke; MITSUHASHI, Ryoji","Nickel(II) Complex Derived from Unsymmetrical α-(2-Hydroxy-3-salicylideneaminopropyl)iminopropionic Acid","X-ray Structure Analysis Online","2017","33","0","45","","10.2116/xraystruct.33.45","","","0.71073","MoKα","","0.1586","0.0601","","","0.1172","0.1444","","","","","","0.909","","","","has coordinates","216190","2020-10-21","18:00:00",""
"1551581","16.6818","0.0012","11.5428","0.0008","9.2234","0.0006","90","","90","","90","","1776","0.2","90","2","90","2","","","","","","","","5","P n a 21","P 2c -2n","33","","","","- C21 H22 B N O -","- C21 H22 B N O -","- C84 H88 B4 N4 O4 -","4","1","","SAKIYAMA, Hiroshi; ICHI, Misaki; MITSUHASHI, Ryoji; MIKURIYA, Masahiro","Crystal Structure of a Tetracoordinate Organoboron Coordination Compound, Dimethylformamide-triphenylborane Complex","X-ray Structure Analysis Online","2017","33","0","29","","10.2116/xraystruct.33.29","","","0.71073","MoKα","","0.0526","0.0429","","","0.0977","0.102","","","","","","1.022","","","","has coordinates","216191","2020-10-21","18:00:00",""
"1551582","6.914","0.0005","7.7202","0.0005","8.7383","0.0007","79.467","0.006","73.033","0.005","67.106","0.005","409.71","0.05","138","","138","","","","","","","","","4","P 1","P 1","1","","","","- C12 H25 N O13 -","- C12 H25 N O13 -","- C12 H25 N O13 -","1","1","","FUJIMOTO, Takashi; NISHIO, Toshiyuku; HOSAKA, Hiroki; MIZOGUCHI, Saori; TASHIRO, Mitsuru","Crystal Structure of β-D-Fructofuranosyl-[2↔1]-6-amido-6-deoxy-α-D-glucopyranoside","X-ray Structure Analysis Online","2017","33","0","63","","10.2116/xraystruct.33.63","","","0.71075","MoKα","","","0.0264","","","","0.0836","","","","","","1.013","","","","has coordinates","216192","2020-10-21","18:00:00",""
"1551583","9.6947","0.0012","12.0269","0.0015","13.2626","0.0018","94.036","0.002","108.801","0.002","104.82","0.002","1395.3","0.3","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C13.5 H16 N4 Ni O1.5 -","- C13.5 H16 N4 Ni O1.5 -","- C54 H64 N16 Ni4 O6 -","4","2","","MIKURIYA, Masahiro; HARA, Masashi; YOSHIOKA, Daisuke","Synthesis and Crystal Structure of a Nickel(II) Complex with 1,3-Bis(pyrrole-2-methylideneamino)-2-propanol","X-ray Structure Analysis Online","2017","33","0","59","","10.2116/xraystruct.33.59","","","0.71073","MoKα","","0.0709","0.0401","","","0.0877","0.0955","","","","","","0.918","","","","has coordinates","216193","2020-10-21","18:00:00",""
"1551584","12.5115","0.0007","10.5337","0.0006","15.008","0.0009","90","","94.0547","0.0019","90","","1973","0.2","273","2","273","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C21 H21 N2 O4 Pd -","- C21 H24 N2 O4 Pd -","- C84 H96 N8 O16 Pd4 -","4","1","","AHMAD, Shahrul Nizam; BAHRON, Hadariah; TAJUDDIN, Amalina M.; YUSOF, M. Sukeri M.","Crystal Structure of 2,2′-(((2,2-Dimethylpropane-1,3-diyl)bis(azanylylidene))bis(methanylylidene))bis(4-methoxyphenol)palladium(II)","X-ray Structure Analysis Online","2017","33","0","73","","10.2116/xraystruct.33.73","","","0.71073","MoKα","","0.0585","0.0415","","","0.1251","0.1477","","","","","","1.144","","","","has coordinates","216194","2020-10-21","18:00:00",""
"1551585","17.319","0.003","9.7041","0.0017","13.352","0.002","90","","114.032","0.003","90","","2049.5","0.6","293","2","293","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C22 H32 N2 O2 -","- C22 H32 N2 O2 -","- C88 H128 N8 O8 -","4","0.5","","MIKURIYA, Masahiro; MATSUSHIMA, Iyo; HANAMOTO, Yukiko; YOSHIOKA, Daisuke","Synthesis and Crystal Structure of <i>N,N</i>′-Bis(2-hydroxy-3,5-dimethylbenzyl)-<i>N,N</i>′-dimethyl-1,2-ethanediamine","X-ray Structure Analysis Online","2017","33","0","1","","10.2116/xraystruct.33.1","","","0.71073","MoKα","","0.082","0.0524","","","0.1439","0.1629","","","","","","1.045","","","","has coordinates","216195","2020-10-21","18:00:00",""
"1551586","7.0109","0.0008","11.7862","0.0013","14.9095","0.0016","111.814","0.002","91.72","0.002","101.036","0.002","1115.7","0.2","296","2","296","2","","","","","","","","5","P -1","-P 1","2","1-[4-(trifluoromethyl)benzylidene]thiosemicarbazide","1-[4-(trifluoromethyl)benzylidene]thiosemicarbazide","","- C9 H8 F3 N3 S -","- C9 H8 F3 N3 S -","- C36 H32 F12 N12 S4 -","4","2","","OSMAN, Uwaisulqarni M.; FARIZAL, Azieda Syafika N.; ARSHAD, Suhana; KADIR, Maisara Abdul","Crystal Structure of (<i>Z</i>)-1-[4-(Trifluoromethyl)benzylidene]thiosemicarbazide","X-ray Structure Analysis Online","2017","33","0","3","","10.2116/xraystruct.33.3","","","0.71073","MoKα","","0.0848","0.0438","","","0.1078","0.1327","","","","","","1.009","","","","has coordinates,has disorder","216196","2020-10-21","18:00:00",""
"1551587","22.7667","0.0013","19.1628","0.0011","17.3218","0.001","90","","96.15","0.001","90","","7513.6","0.7","273","2","273","2","","","","","","","","7","C 1 2/c 1","-C 2yc","15","","","","- C82 H100 B2 Cl2 Mg2 N4 O10 -","- C82 H100 B2 Cl2 Mg2 N4 O10 -","- C328 H400 B8 Cl8 Mg8 N16 O40 -","4","0.5","","SAKIYAMA, Hiroshi; TAKAHATA, Saki; KASHIMOTO, Naoki; MITSUHASHI, Ryoji; MIKURIYA, Masahiro","Crystal Structure of a Dinuclear Magnesium(II) Complex with 4-Chloro-2,6-bis[(2-hydroxyethyl)methylaminomethyl]phenolate","X-ray Structure Analysis Online","2017","33","0","75","","10.2116/xraystruct.33.75","","","0.71073","MoKα","","0.06","0.0418","","","0.1023","0.1106","","","","","","1.036","","","","has coordinates","216197","2020-10-21","18:00:00",""
"1551588","18.157","0.002","13.1691","0.0017","18.88","0.003","90","","110.483","0.002","90","","4229","1","90","2","90","2","","","","","","","","5","C 1 c 1","C -2yc","9","","","","- C43 H56 N4 Ni2 O11 -","- C43 H55 N4 Ni2 O11 -","- C172 H220 N16 Ni8 O44 -","4","1","","LIM, Jongwan; SHIN, Yunseok; RYU, Sanghoon; MITSUHASHI, Ryoji; OMOTE, Masataka; SAKIYAMA, Hiroshi; MIKURIYA, Masahiro","Ferromagnetic Dinuclear Nickel(II) Complex with a Schiff-base Having a Di-μ-phenolato-μ-methanol-bridged Core","X-ray Structure Analysis Online","2017","33","0","21","","10.2116/xraystruct.33.21","","","0.71073","MoKα","","0.0663","0.0532","","","0.1342","0.1455","","","","","","0.926","","","","has coordinates","216198","2020-10-21","18:00:00",""
"1551589","15.4085","0.00014","13.0737","0.00014","27.383","0.0003","90","","98.0922","0.0009","90","","5461.27","0.1","173","","173","","","","","","","","","6","I 1 2/a 1","-I 2ya","15","","","","- C28 H26 Cl N6 O3.5 Ru -","- C28 H26 Cl N6 O3.5 Ru -","- C224 H208 Cl8 N48 O28 Ru8 -","8","1","","TOYAMA, Mari; NAKAYASU, Toshifumi; NAGAO, Noriharu","Crystal Structure of (2-Picolinato)bis(2,2′-bipyridine)ruthenium(II) Chloride","X-ray Structure Analysis Online","2017","33","0","11","","10.2116/xraystruct.33.11","","","1.54187","CuKα","","0.0274","0.0267","","","0.0709","0.0714","","","","","","1.044","","","","has coordinates","216199","2020-10-21","18:00:00",""
"1551590","8.7221","0.0002","9.697","0.0003","31.8548","0.001","90","","90","","90","","2694.22","0.13","138","","138","","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C20 H37 N O20 -","- C20 H37 N O20 -","- C80 H148 N4 O80 -","4","1","","FUJIMOTO, Takashi; YAMANO, Akihito; NISHIO, Toshiyuku; SAKAKI, Yohei; TASHIRO, Mitsuru","Crystal Structure of β-D-Galactopyranosyl-(1\ρightarrow 6)-β-D-fructofuranosyl-(2↔1)-2-acetamido-2-deoxy-α-D-glucopyranoside","X-ray Structure Analysis Online","2017","33","0","35","","10.2116/xraystruct.33.35","","","0.71075","MoKα","","0.0718","0.0667","","","0.1692","0.172","","","","","","1.081","","","","has coordinates,has disorder","216200","2020-10-21","18:00:00",""
"1551591","13.975","0.003","12.475","0.003","12.158","0.003","90","","100.091","0.004","90","","2086.8","0.8","293","2","293","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C8 H22 Mo2 N4 O4 S2 -","- C8 H22 Mo2 N4 O4 S2 -","- C32 H88 Mo8 N16 O16 S8 -","4","0.5","","MIKURIYA, Masahiro; KUSUNOKI, Koji; KOTERA, Takanori; YOSHIOKA, Daisuke; OGASAWARA, Kazuyoshi","Synthesis, Crystal Structure, and DFT Calculation of a Dioxido-bridged Dinuclear Oxidomolybdenum(V) Complex with 2-(2-Aminoethyl)aminoethanethiol","X-ray Structure Analysis Online","2017","33","0","37","","10.2116/xraystruct.33.37","","","0.71073","MoKα","","0.0532","0.0373","","","0.0945","0.0975","","","","","","0.921","","","","has coordinates","216201","2020-10-21","18:00:00",""
"1551592","8.4305","0.0016","27.302","0.005","19.131","0.004","90","","102.724","0.002","90","","4295.2","1.4","113","","113","","","","","","","","","8","P 1 21/c 1","-P 2ybc","14","","","","- C35 H46 B2 Cl2 Cu2 F8 N6 O5 -","- C35 H46 B2 Cl2 Cu2 F8 N6 O5 -","- C140 H184 B8 Cl8 Cu8 F32 N24 O20 -","4","1","","UMEMOTO, Yusuke; YONEDA, Ko; YAMADA, Yasunori; KOIKAWA, Masayuki","Synthesis and Crystal Structure of a Dinuclear Cu(II) Complex with <i>N,N,N</i>′,<i>N</i>′-Tetrakis(2-pyridylmethyl)-1,6-hexanediamine","X-ray Structure Analysis Online","2017","33","0","65","","10.2116/xraystruct.33.65","","","0.71075","MoKα","","0.0908","0.0694","","","0.1793","0.1976","","","","","","1.089","","","","has coordinates","216202","2020-10-21","18:00:00",""
"1551593","9.6898","0.0002","10.4576","0.0003","21.0199","0.0003","83.6336","0.0017","89.3963","0.0015","73.819","0.002","2032.53","0.08","119.98","0.1","119.98","","","","","","","","","6","P 1","P 1","1","","","","- C18 H21 Cl3 N3 O2.202 P -","- C18 H21 Cl3 N3 O2.2025 P -","- C72 H84 Cl12 N12 O8.81 P4 -","4","4","","ARIANI, Maral; POURAYOUBI, Mehrdad; DUŠEK, Michal; VAHDANI ALVIRI, Banafsheh; EIGNER, Václav; DAMODARAN, Krishnan","Synthesis, Spectroscopic Study and Crystal Structure of a New Single-Enantiomer C(O)NHP(O)-based Phosphoric Triamide, CCl<sub>3</sub>C(O)NHP(O)[(R)-(+)-NHCH(CH<sub>3</sub>)(C<sub>6</sub>H<sub>5</sub>)]<sub>2</sub>·0.25H<sub>2</sub>O","X-ray Structure Analysis Online","2017","33","0","17","","10.2116/xraystruct.33.17","","x-ray","1.54184","CuKα","","0.0655","0.0578","","","0.1435","0.1511","","","","2.02","2.02","1.9","","","","has coordinates","216203","2020-10-21","18:00:00",""
"1551594","9.3554","0.0004","11.445","0.0005","11.5629","0.0004","87.14","0.002","78.807","0.0019","69.2119","0.0019","1135.21","0.08","200","","200","","","","","","","","","4","P -1","-P 1","2","","","","- C23 H29 N5 O5 -","- C23 H29 N5 O5 -","- C46 H58 N10 O10 -","2","1","","GUILLON, Jean; MONTOIR, David; MARCHIVIE, Mathieu; DUFLOS, Muriel; BAZIN, Marc-Antoine","Crystal Structure of <i>N</i>-(7-{[2-(Dimethylamino)ethyl]amino}-1-methyl-2-oxo-1,2-dihydro-1,6-naphthyridin-3-yl)-3,4,5-trimethoxybenzamide","X-ray Structure Analysis Online","2017","33","0","41","","10.2116/xraystruct.33.41","","","0.71073","MoKα","","0.0915","0.0492","","","0.1175","0.1385","","","","","","1.012","","","","has coordinates,has disorder","216204","2020-10-21","18:00:00",""
"1551595","8.57927","0.00017","6.99494","0.00016","21.076","0.0004","90","","99.4787","0.0019","90","","1247.53","0.05","173","","173","","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C11 H14 B N O5 S -","- C11 H14 B N O5 S -","- C44 H56 B4 N4 O20 S4 -","4","1","","TAKEYAMA, Tomoyuki; NAKAJIMA, Yuki; KATAGIRI, Kosuke; IWATSUKI, Satoshi","Crystal Structure of a Methanesulfonate Salt of 3-(<i>N</i>-Methyl)quinolinium Boronic Acid","X-ray Structure Analysis Online","2017","33","0","9","","10.2116/xraystruct.33.9","","x-ray","1.54184","CuKα","","0.0355","0.0316","","","0.0823","0.0853","","","","","","1.046","","","","has coordinates","216205","2020-10-21","18:00:00",""
"1551596","7.9129","0.0011","17.27","0.003","21.673","0.003","90","","90","","90","","2961.7","0.8","173","1","173","1","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C23 H28 N Ni S10 -","- C23 H28 N Ni S10 -","- C92 H112 N4 Ni4 S40 -","4","1","","KAKIHARA, Shunta; SAEKI, Masahiro; ICHIMURA, Shuhei; TAMAKI, Yoshinori; MIYAMURA, Kazuo","Crystal Structure of Benzyldimethyl(ω-cyclohexylethyl)ammonium Bis(2-thioxo-1,3-dithiole-4,5-dithiolato)nickelate(III)","X-ray Structure Analysis Online","2017","33","0","15","","10.2116/xraystruct.33.15","","","0.71073","MoKα","","0.0802","0.0469","","","0.0641","0.0734","","","","","","0.821","","","","has coordinates","216206","2020-10-21","18:00:00",""
"1551826","20.5708","0.0008","21.4332","0.0008","24.3151","0.0008","92.087","0.003","91.4","0.003","112.299","0.004","9903.7","0.7","120","2","120","2","","","","","","","","6","P -1","-P 1","2","","","","- C194 H201 Cl8 N27 O54 Zn4 -","- C194 H201 Cl8 N27 O54 Zn4 -","- C388 H402 Cl16 N54 O108 Zn8 -","2","1","","Jia-Cheng Chang; Shin-Han Tseng; Chien-Chen Lai; Yi-Hung Liu; Shie-Ming Peng; Sheng-Hsien Chiu","Mechanically interlocked daisy-chain-like structures as multidimensional molecular muscles","Nature Chemistry","2017","9","","128","134","10.1038/nchem.2608","","","1.54178","CuKα","","0.2255","0.133","","","0.3079","0.3727","","","","","","1.314","","","","has coordinates","216447","2020-10-21","18:00:00",""
"1551827","19.6706","0.0005","22.8014","0.0005","25.4507","0.0005","99.269","0.002","107.063","0.002","106.023","0.002","10118.2","0.5","120","2","120","2","","","","","","","","5","P -1","-P 1","2","","","","- C55.5 H49.5 F6 N6 O6 -","- C55.5 H49.5 F6 N6 O6 -","- C444 H396 F48 N48 O48 -","8","4","","Jia-Cheng Chang; Shin-Han Tseng; Chien-Chen Lai; Yi-Hung Liu; Shie-Ming Peng; Sheng-Hsien Chiu","Mechanically interlocked daisy-chain-like structures as multidimensional molecular muscles","Nature Chemistry","2017","9","","128","134","10.1038/nchem.2608","","","1.54178","CuKα","","0.1903","0.1124","","","0.2724","0.332","","","","","","1.236","","","","has coordinates,has disorder","279817","2022-12-09","07:50:26",""
"1551828","12.1557","0.0005","24.1339","0.001","39.3371","0.0009","85.206","0.002","87.55","0.002","75.675","0.004","11139.3","0.7","100","2","100","2","","","","","","","","7","P -1","-P 1","2","","","","- C190 H147 Cl6 F18 N20 O44 Zn3 -","- C190 H147 Cl6 F18 N20 O44 Zn3 -","- C380 H294 Cl12 F36 N40 O88 Zn6 -","2","1","","Jia-Cheng Chang; Shin-Han Tseng; Chien-Chen Lai; Yi-Hung Liu; Shie-Ming Peng; Sheng-Hsien Chiu","Mechanically interlocked daisy-chain-like structures as multidimensional molecular muscles","Nature Chemistry","2017","9","","128","134","10.1038/nchem.2608","","","1.54178","CuKα","","0.3131","0.1543","","","0.3195","0.4101","","","","","","1.176","","","","has coordinates,has disorder","216449","2020-10-21","18:00:00",""
"1551829","33.7737","0.0007","19.1957","0.0005","37.7788","0.0007","90","","101.142","0.002","90","","24030.7","0.9","120","2","120","2","","","","","","","","7","C 1 2 1","C 2y","5","","","","- C124 H98 Cl4 F12 N10 O30 Zn2 -","- C124 H98 Cl4 F12 N10 O30 Zn2 -","- C744 H588 Cl24 F72 N60 O180 Zn12 -","6","1.5","","Jia-Cheng Chang; Shin-Han Tseng; Chien-Chen Lai; Yi-Hung Liu; Shie-Ming Peng; Sheng-Hsien Chiu","Mechanically interlocked daisy-chain-like structures as multidimensional molecular muscles","Nature Chemistry","2017","9","","128","134","10.1038/nchem.2608","","","1.54178","CuKα","","0.1465","0.0928","","","0.223","0.2593","","","","","","1.137","","","","has coordinates,has disorder","277994","2022-09-20","08:32:41",""
"1551832","14.7965","0.0004","14.7965","0.0004","38.3211","0.001","90","","90","","120","","7265.9","0.3","100","2","100","2","","","","","","","","6","R -3 :H","-R 3","148","","","","- C85.82 H25.82 B12 Cl5.46 F60 O12.99 -","- C85.82 H25.82 B12 Cl5.46 F60 O12.994 -","- C257.46 H77.46 B36 Cl16.38 F180 O38.982 -","3","0.166667","","Elaine A. Qian; Alex I. Wixtrom; Jonathan C. Axtell; Azin Saebi; Dahee Jung; Pavel Rehak; Yanxiao Han; Elamar Hakim Moully; Daniel Mosallaei; Sylvia Chow; Marco S. Messina; Jing Yang Wang; A. Timothy Royappa; Arnold L. Rheingold; Heather D. Maynard; Petr Kral; Alexander M. Spokoyny","Atomically precise organomimetic cluster nanomolecules assembled via perfluoroaryl-thiol SNAr chemistry","Nature Chemistry","2017","9","","333","340","10.1038/nchem.2686","","","1.54178","CuKα","","0.0311","0.0304","","","0.0806","0.0811","","","","","","1.094","","","","has coordinates,has disorder","216453","2020-10-21","18:00:00",""
"1551833","19.211","0.003","19.674","0.003","22.866","0.004","97.606","0.005","114.089","0.005","109.756","0.005","7048","2","100","","100","","","","","","","","","5","P -1","-P 1","2","","","","- C156 H72 B12 F60 O12 -","- C156 H72 B12 F60 O12 -","- C312 H144 B24 F120 O24 -","2","1","","Elaine A. Qian; Alex I. Wixtrom; Jonathan C. Axtell; Azin Saebi; Dahee Jung; Pavel Rehak; Yanxiao Han; Elamar Hakim Moully; Daniel Mosallaei; Sylvia Chow; Marco S. Messina; Jing Yang Wang; A. Timothy Royappa; Arnold L. Rheingold; Heather D. Maynard; Petr Kral; Alexander M. Spokoyny","Atomically precise organomimetic cluster nanomolecules assembled via perfluoroaryl-thiol SNAr chemistry","Nature Chemistry","2017","9","","333","340","10.1038/nchem.2686","","","0.71073","MoKα","","0.1771","0.068","","","0.1509","0.203","","","","","","1.008","","","","has coordinates","216454","2020-10-21","18:00:00",""
"1551851","10.838","0.0008","11.7188","0.0009","15.3855","0.0011","111.957","0.004","95.397","0.004","103.468","0.004","1726.6","0.2","100","1","100","2","","","","","","","","5","P -1","-P 1","2","","","","- C69 H118 N2 P4 Ti2 -","- C69 H118 N2 P4 Ti2 -","- C69 H118 N2 P4 Ti2 -","1","0.5","","Douglas P. Solowey; Manoj V. Mane,; Takashi Kurogi; Patrick J. Carroll; Brian C. Manor; Mu-Hyun Baik; Daniel J. Mindiola","A new and selective cycle for dehydrogenation of linear and cyclic alkanes under mild conditions using a base metal","Nature Chemistry","2017","9","","1126","1132","10.1038/nchem.2795","","","0.71073","MoKα","","0.0664","0.0451","","","0.1182","0.1297","","","","","","1.031","","","","has coordinates,has disorder","216472","2020-10-21","18:00:00",""
"1551852","10.1072","0.0004","9.2624","0.0004","15.2719","0.0006","90","","93.254","0.002","90","","1427.4","0.1","100","1","100","1","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C19 H15 P -","- C19 H15 P -","- C76 H60 P4 -","4","1","","Douglas P. Solowey; Manoj V. Mane,; Takashi Kurogi; Patrick J. Carroll; Brian C. Manor; Mu-Hyun Baik; Daniel J. Mindiola","A new and selective cycle for dehydrogenation of linear and cyclic alkanes under mild conditions using a base metal","Nature Chemistry","2017","9","","1126","1132","10.1038/nchem.2795","","","0.71073","MoKα","","0.0327","0.0308","","","0.083","0.0851","","","","","","1.061","","","","has coordinates","216473","2020-10-21","18:00:00",""
"1551886","8.4416","0.0005","10.8919","0.0007","7.2749","0.0004","90.465","0.002","113.158","0.002","78.08","0.002","599.74","0.06","100","2","100","2","","","","","","","Green River formation Uinta Co. Utah","4","P -1","-P 1","2","abelsonite","","abelsonite","- C31 H32 N4 Ni -","- C31 H32 N4 Ni -","- C31 H32 N4 Ni -","1","0.5","","Daniel R. Hummer; Bruce C. Noll; Robert M. Hazen; Robert T. Downs","Crystal structure of abelsonite, the only known crystalline geoporphyrin","American Mineralogist","2017","102","","1129","1132","10.2138/am-2017-5927","","","0.71073","MoKα","","0.0514","0.0406","","","0.0942","0.1019","","","","","","1.077","","","","has coordinates,has disorder","216528","2020-10-21","18:00:00",""
"1551889","8.6241","0.0001","9.7969","0.0002","18.9232","0.0003","80.469","0.002","83.314","0.001","76.243","0.002","1526.55","0.05","100","2","100","2","","","","","","","","6","P 1","P 1","1","","","","- C29 H31 F14 N O Si -","- C29 H31 F14 N O Si -","- C58 H62 F28 N2 O2 Si2 -","2","2","","Mattia Silvi; Charlie Verrier; Yannick P. Rey; Luca Buzzetti; Paolo Melchiorre","Visible-light excitation of iminium ions enables the enantioselective catalytic beta-alkylation of enals","Nature Chemistry","2017","9","","868","873","10.1038/nchem.2748","","","0.7107","MoKα","","0.0439","0.0413","","","0.122","0.1242","","","","","","1.059","","","","has coordinates","216531","2020-10-21","18:00:00",""
"1551890","29.4752","0.0019","8.8183","0.0006","37.823","0.002","90","","97.4465","0.0018","90","","9748.1","1","100","2","100","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C33 H26 O2 S -","- C33 H26 O2 S -","- C528 H416 O32 S16 -","16","8","","Mattia Silvi; Charlie Verrier; Yannick P. Rey; Luca Buzzetti; Paolo Melchiorre","Visible-light excitation of iminium ions enables the enantioselective catalytic beta-alkylation of enals","Nature Chemistry","2017","9","","868","873","10.1038/nchem.2748","","","0.71073","MoKα","","0.11","0.0862","","","0.1829","0.1935","","","","","","1.07","","","","has coordinates","216532","2020-10-21","18:00:00",""
"1551891","10.6934","0.0003","17.4932","0.0004","24.2485","0.0006","90","","90","","90","","4536","0.2","90","2","90","2","","","","","","","","7","P 21 21 21","P 2ac 2ab","19","","","","- C42 H46 B F18 N O2 Si -","- C41.9996 H45.9992 B F18 N O1.9999 Si -","- C167.998 H183.997 B4 F72 N4 O7.9996 Si4 -","4","1","","Mattia Silvi; Charlie Verrier; Yannick P. Rey; Luca Buzzetti; Paolo Melchiorre","Visible-light excitation of iminium ions enables the enantioselective catalytic beta-alkylation of enals","Nature Chemistry","2017","9","","868","873","10.1038/nchem.2748","","","0.7107","MoKα","","0.1037","0.0783","","","0.2159","0.2302","","","","","","1.579","","","","has coordinates,has disorder","216533","2020-10-21","18:00:00",""
"1551908","13.747","0.002","8.8403","0.0013","12.9567","0.0018","90","","114.796","0.002","90","","1429.4","0.4","173","2","173.15","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C15 H13 B F2 N4 -","- C15 H13 B F2 N4 -","- C60 H52 B4 F8 N16 -","4","1","","Hai Qian; Morgan E. Cousins; Erik H. Horak; Audrey Wakefield; Matthew D. Liptak; Ivan Aprahamian","Suppression of Kasha's rule as a mechanism for fluorescent molecular rotors and aggregation-induced emission","Nature Chemistry","2017","9","","83","87","10.1038/nchem.2612","","","0.71073","MoKα","","0.087","0.0496","","","0.1372","0.1648","","","","","","1.05","","","","has coordinates","216572","2020-10-21","18:00:00",""
"1551977","6.1691","0.0002","10.6043","0.0004","12.4939","0.0005","97.479","0.001","97.453","0.001","99.925","0.001","788.51","0.05","173","2","173","2","","","","","","","","4","P -1","-P 1","2","","","","- C44 H28 Au N4 -","- C44 H28 Au N4 -","- C44 H28 Au N4 -","1","0.5","","Sebastian Preiss; Christoph Forster; Sven Otto; Matthias Bauer; Patrick Muller; Dariush Hinderberger; Haleh Hashemi Haeri; Luca Carella; Katja Heinze","Structure and reactivity of a mononuclear gold(II) complex","Nature Chemistry","2017","9","","1249","1255","10.1038/nchem.2836","","","0.71073","MoKα","","0.0249","0.0246","","","0.0569","0.0569","","","","","","1.066","","","","has coordinates","216741","2020-10-21","18:00:00",""
"1551978","16.1707","0.0001","13.4756","0.0001","40.4746","0.0003","90","","99.5199","0.0006","90","","8698.35","0.11","150","","150","","","","","","","",".","8","P 1 21/n 1","-P 2yn","14","","","","- C88 H81 B F24 Ga N2 P2 Rh -","- C88 H81 B F24 Ga N2 P2 Rh -","- C352 H324 B4 F96 Ga4 N8 P8 Rh4 -","4","1","","Joseph A. B. Abdalla; Alexa Caise; Christian P. Sindlinger; Remi Tirfoin; Amber L. Thompson; Alison J. Edwards; Simon Aldridge","Structural snapshots of concerted double E-H bond activation at a transition metal centre","Nature Chemistry","2017","9","","1256","1262","10.1038/nchem.2792","","","1.5418","CuKα","","0.0719","0.0693","","0.1682","0.1657","0.1682","","","","","","0.9609","","","","has coordinates,has disorder","216742","2020-10-21","18:00:00",""
"1551979","15.8418","0.0002","17.8312","0.0003","19.9771","0.0004","67.4818","0.0016","79.5277","0.0014","88.0398","0.0013","5122.13","0.16","150","","150","","","","","","","",".","9","P -1","-P 1","2","","","","- C87 H114 Al F37 Ga N2 O4 P2 Rh -","- C87 H114 Al F37 Ga N2 O4 P2 Rh -","- C174 H228 Al2 F74 Ga2 N4 O8 P4 Rh2 -","2","1","","Joseph A. B. Abdalla; Alexa Caise; Christian P. Sindlinger; Remi Tirfoin; Amber L. Thompson; Alison J. Edwards; Simon Aldridge","Structural snapshots of concerted double E-H bond activation at a transition metal centre","Nature Chemistry","2017","9","","1256","1262","10.1038/nchem.2792","","","1.5418","CuKα","","0.0875","0.0857","","0.2589","0.2565","0.2589","","","","","","1.0248","","","","has coordinates,has disorder","216743","2020-10-21","18:00:00",""
"1551980","11.0613","0.0002","18.6711","0.0003","20.1393","0.0004","87.3183","0.0014","84.9976","0.0015","88.3665","0.0015","4137.67","0.13","150","","150","","","","","","","",".","9","P -1","-P 1","2","","","","- C71 H91 Al F36 Ga N2 O4 P2 Rh -","- C71 H91 Al F36 Ga N2 O4 P2 Rh -","- C142 H182 Al2 F72 Ga2 N4 O8 P4 Rh2 -","2","1","","Joseph A. B. Abdalla; Alexa Caise; Christian P. Sindlinger; Remi Tirfoin; Amber L. Thompson; Alison J. Edwards; Simon Aldridge","Structural snapshots of concerted double E-H bond activation at a transition metal centre","Nature Chemistry","2017","9","","1256","1262","10.1038/nchem.2792","","","1.5418","CuKα","","0.0611","0.059","","0.1451","0.1427","0.1451","","","","","","0.9245","","","","has coordinates,has disorder","216744","2020-10-21","18:00:00",""
"1551981","18.3055","0.0004","20.3348","0.0005","22.683","0.0005","95.335","0.002","90.4516","0.0018","93.0358","0.0018","8394.4","0.3","150","","150","","","","","","","",".","9","P -1","-P 1","2","","","","- C72 H93 Al F36 Ga N2 O4 P2 Rh -","- C72 H93 Al F36 Ga N2 O4 P2 Rh -","- C288 H372 Al4 F144 Ga4 N8 O16 P8 Rh4 -","4","2","","Joseph A. B. Abdalla; Alexa Caise; Christian P. Sindlinger; Remi Tirfoin; Amber L. Thompson; Alison J. Edwards; Simon Aldridge","Structural snapshots of concerted double E-H bond activation at a transition metal centre","Nature Chemistry","2017","9","","1256","1262","10.1038/nchem.2792","","","1.5418","CuKα","","0.0887","0.0775","","0.2101","0.1974","0.2099","","","","","","0.991","","","","has coordinates,has disorder","216745","2020-10-21","18:00:00",""
"1551982","13.5818","0.0002","19.8497","0.0003","19.8951","0.0003","95.6299","0.0012","90.1027","0.0013","91.1299","0.0012","5336.67","0.14","150","","150","","","","","","","",".","9","P -1","-P 1","2","","","","- C95 H119.5 Al F36.5 Ga2 N4 O4 P Rh -","- C95 H119.5 Al F36.5 Ga2 N4 O4 P Rh -","- C190 H239 Al2 F73 Ga4 N8 O8 P2 Rh2 -","2","1","","Joseph A. B. Abdalla; Alexa Caise; Christian P. Sindlinger; Remi Tirfoin; Amber L. Thompson; Alison J. Edwards; Simon Aldridge","Structural snapshots of concerted double E-H bond activation at a transition metal centre","Nature Chemistry","2017","9","","1256","1262","10.1038/nchem.2792","","","1.5418","CuKα","","0.0374","0.0362","","0.0935","0.0925","0.0935","","","","","","0.9958","","","","has coordinates,has disorder","216746","2020-10-21","18:00:00",""
"1552008","10.7341","0.0003","19.6772","0.0006","17.8417","0.0005","90","","104.847","0.003","90","","3642.65","0.19","150.01","0.11","150.01","0.11","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","","","- C39 H63 Th -","- C39 H63 Th -","- C156 H252 Th4 -","4","1","","Alasdair Formanuik; Ana-Maria Ariciu; Fabrizio Ortu; Reece Beekmeyer; Andrew Kerridge; Floriana Tuna; Eric J. L. McInnes; David P. Mills","Actinide covalency measured by pulsed electron paramagnetic resonance spectroscopy","Nature Chemistry","2017","9","","578","583","10.1038/nchem.2692","","","0.71073","MoKα","","0.048","0.0358","","","0.0611","0.0652","","","","","","1.015","","","","has coordinates","216817","2020-10-21","18:00:00",""
"1552009","10.7925","0.0006","19.3497","0.001","17.8721","0.0012","90","","104.314","0.006","90","","3616.4","0.4","150.02","0.14","150.02","0.14","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","","","- C39 H63 U -","- C39 H63 U -","- C156 H252 U4 -","4","1","","Alasdair Formanuik; Ana-Maria Ariciu; Fabrizio Ortu; Reece Beekmeyer; Andrew Kerridge; Floriana Tuna; Eric J. L. McInnes; David P. Mills","Actinide covalency measured by pulsed electron paramagnetic resonance spectroscopy","Nature Chemistry","2017","9","","578","583","10.1038/nchem.2692","","x-ray","0.71073","MoKα","","0.1249","0.0588","","","0.085","0.0983","","","","","","0.969","","","","has coordinates","216818","2020-10-21","18:00:00",""
"1552010","20.1","0.002","21.4218","0.0008","20.1165","0.0015","90","","118.596","0.011","90","","7605.1","1.3","150.01","0.1","150.01","0.1","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C39 H63 Cl U -","- C39 H63 Cl U -","- C312 H504 Cl8 U8 -","8","2","","Alasdair Formanuik; Ana-Maria Ariciu; Fabrizio Ortu; Reece Beekmeyer; Andrew Kerridge; Floriana Tuna; Eric J. L. McInnes; David P. Mills","Actinide covalency measured by pulsed electron paramagnetic resonance spectroscopy","Nature Chemistry","2017","9","","578","583","10.1038/nchem.2692","","","0.71073","MoKα","","0.1207","0.0613","","","0.0976","0.118","","","","","","1.028","","","","has coordinates","216819","2020-10-21","18:00:00",""
"1552051","11.2408","0.001","4.6467","0.0004","25.9293","0.0019","90","","99.857","0.005","90","","1334.36","0.19","100","2","100","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C34 H14 Br4 N4 -","- C34 H14 Br4 N4 -","- C68 H28 Br8 N8 -","2","0.5","","Wei Liu; Xin Luo; Yang Bao; Yan Peng Liu; Guo-Hong Ning; Ibrahim Abdelwahab; Linjun Li; Chang Tai Nai; Zhi Gang Hu; Dan Zhao; Bin Liu; Su Ying Quek; Kian Ping Loh","A two-dimensional conjugated aromatic polymer via C-C coupling reaction","Nature Chemistry","2017","9","","563","570","10.1038/nchem.2696","","","1.54178","CuKα","","0.0532","0.0501","","","0.122","0.1253","","","","","","1.162","","","","has coordinates","216869","2020-10-21","18:00:00",""
"1552052","3.77","0.0006","16.615","0.002","17.088","0.003","90","","95.723","0.006","90","","1065","0.3","100","2","100","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C34 H18 N4 -","- C34 H18 N4 -","- C68 H36 N8 -","2","0.5","","Wei Liu; Xin Luo; Yang Bao; Yan Peng Liu; Guo-Hong Ning; Ibrahim Abdelwahab; Linjun Li; Chang Tai Nai; Zhi Gang Hu; Dan Zhao; Bin Liu; Su Ying Quek; Kian Ping Loh","A two-dimensional conjugated aromatic polymer via C-C coupling reaction","Nature Chemistry","2017","9","","563","570","10.1038/nchem.2696","","","0.71073","MoKα","","0.1135","0.0904","","","0.2791","0.3065","","","","","","1.272","","","","has coordinates","216870","2020-10-21","18:00:00",""
"1552957","11.7721","0.0005","14.2054","0.0006","6.1836","0.0003","90","","90","","90","","1034.07","0.08","100","","100","","","","","","","","","5","P 21 21 2","P 2 2ab","18","Rochelle Salt","Potassium sodium tartrate tetrahydrate","","- C4 H12 K Na O10 -","- C4 H12 K Na O10 -","- C16 H48 K4 Na4 O40 -","4","1","","Macdonald, Niall P.; Bunton, Grace L.; Park, Ah Young; Breadmore, Michael C.; Kilah, Nathan L.","3D Printed Micrometer-Scale Polymer Mounts for Single Crystal Analysis.","Analytical chemistry","2017","89","8","4405","4408","10.1021/acs.analchem.7b00443","","x-ray","1.54178","CuKα","","0.0185","0.0182","","","0.0418","0.042","","","","","","1.075","","","","has coordinates","231208","2020-10-21","18:00:00",""
"1552958","11.7708","0.0004","14.2037","0.0005","6.1841","0.0002","90","","90","","90","","1033.91","0.06","100","","100","","","","","","","","","5","P 21 21 2","P 2 2ab","18","Rochelle Salt","Potassium sodium tartrate tetrahydrate","","- C4 H12 K Na O10 -","- C4 H12 K Na O10 -","- C16 H48 K4 Na4 O40 -","4","1","","Macdonald, Niall P.; Bunton, Grace L.; Park, Ah Young; Breadmore, Michael C.; Kilah, Nathan L.","3D Printed Micrometer-Scale Polymer Mounts for Single Crystal Analysis.","Analytical chemistry","2017","89","8","4405","4408","10.1021/acs.analchem.7b00443","","x-ray","1.54178","CuKα","","0.0185","0.018","","","0.0405","0.0407","","","","","","1.066","","","","has coordinates","231208","2020-10-21","18:00:00",""
"1553307","14.6436","0.0005","10.578","0.0004","15.5742","0.0007","90","","92.794","0.002","90","","2409.58","0.16","100","","100","","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C44.25 H74 N5 O11 -","- C44.25 H74 N5 O11 -","- C88.5 H148 N10 O22 -","2","1","","Almaliti, Jehad; Malloy, Karla L.; Glukhov, Evgenia; Spadafora, Carmenza; Gutiérrez, Marcelino; Gerwick, William H.","Dudawalamides A-D, Antiparasitic Cyclic Depsipeptides from the Marine Cyanobacterium Moorea producens.","Journal of natural products","2017","80","6","1827","1836","10.1021/acs.jnatprod.7b00034","","x-ray","1.54178","CuKα","K-L~3~","0.0693","0.0685","","","0.1919","0.1926","","","","","","1.059","","","","has coordinates,has disorder","234082","2020-10-21","18:00:00",""
"1553308","14.6675","0.0005","11.5099","0.0004","18.5162","0.0006","90","","104.72","0.001","90","","3023.34","0.18","296","2","296","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C19 H18 O2 -","- C19 H18 O2 -","- C152 H144 O16 -","8","2","","Maurent, Kelly; Vanucci-Bacqué, Corinne; Saffon-Merceron, Nathalie; Baltas, Michel; Bedos-Belval, Florence","Total Synthesis of Tedarene A.","Journal of natural products","2017","80","5","1623","1630","10.1021/acs.jnatprod.7b00199","","","0.71073","MoKα","","0.0689","0.0456","","","0.1029","0.1157","","","","","","1.04","","","","has coordinates,has disorder","234084","2020-10-21","18:00:00",""
"1553309","9.3466","0.0005","12.3756","0.0007","14.0627","0.0007","90","","98.832","0.002","90","","1607.34","0.15","193","2","193","2","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","","","- C20 H20 O2 -","- C20 H20 O2 -","- C80 H80 O8 -","4","1","","Maurent, Kelly; Vanucci-Bacqué, Corinne; Saffon-Merceron, Nathalie; Baltas, Michel; Bedos-Belval, Florence","Total Synthesis of Tedarene A.","Journal of natural products","2017","80","5","1623","1630","10.1021/acs.jnatprod.7b00199","","","0.71073","MoKα","","0.0871","0.0628","","","0.1658","0.1912","","","","","","1.047","","","","has coordinates,has disorder","234085","2020-10-21","18:00:00",""
"1553310","9.0364","0.0003","8.1877","0.0003","10.7482","0.0003","90","","101.86","0.0012","90","","778.25","0.04","193","2","193","2","","","","","","","","3","P 1 21 1","P 2yb","4","","","","- C20 H20 O2 -","- C20 H20 O2 -","- C40 H40 O4 -","2","1","","Maurent, Kelly; Vanucci-Bacqué, Corinne; Saffon-Merceron, Nathalie; Baltas, Michel; Bedos-Belval, Florence","Total Synthesis of Tedarene A.","Journal of natural products","2017","80","5","1623","1630","10.1021/acs.jnatprod.7b00199","","","0.71073","MoKα","","0.0348","0.032","","","0.0789","0.0813","","","","","","1.08","","","","has coordinates","234087","2020-10-21","18:00:00",""
"1553311","9.7921","0.0016","11.467","0.0018","13.899","0.002","88.098","0.005","79.234","0.005","79.122","0.005","1505.6","0.4","296","2","296","2","","","","","","","synthesis as described","3","P -1","-P 1","2","","","","- C19 H18 O2 -","- C19 H18 O2 -","- C76 H72 O8 -","4","2","","Maurent, Kelly; Vanucci-Bacqué, Corinne; Saffon-Merceron, Nathalie; Baltas, Michel; Bedos-Belval, Florence","Total Synthesis of Tedarene A.","Journal of natural products","2017","80","5","1623","1630","10.1021/acs.jnatprod.7b00199","","x-ray","0.71073","MoKα","","0.1358","0.0664","","","0.1263","0.1571","","","","","","1.047","","","","has coordinates,has disorder","234088","2020-10-21","18:00:00",""
"1553312","15.7364","0.001","19.8524","0.0013","11.454","0.0007","90","","90","","90","","3578.3","0.4","293","2","293","2","","","","","","","","3","P 21 21 2","P 2 2ab","18","","","","- C35 H44 O12 -","- C35 H44 O12 -","- C140 H176 O48 -","4","1","","Esposito, Mélissa; Nothias, Louis-Félix; Retailleau, Pascal; Costa, Jean; Roussi, Fanny; Neyts, Johan; Leyssen, Pieter; Touboul, David; Litaudon, Marc; Paolini, Julien","Isolation of Premyrsinane, Myrsinane, and Tigliane Diterpenoids from Euphorbia pithyusa Using a Chikungunya Virus Cell-Based Assay and Analogue Annotation by Molecular Networking.","Journal of natural products","2017","80","7","2051","2059","10.1021/acs.jnatprod.7b00233","","","1.54187","CuKα","","0.2189","0.0604","","","0.0566","0.0817","","","","","","0.885","","","","has coordinates","234090","2020-10-21","18:00:00",""
"1553407","9.7278","0.0019","10.55","0.002","11.522","0.002","91.22","0.03","109.68","0.03","108.69","0.03","1043.6","0.5","173","2","173","2","","","","","","","","6","P -1","-P 1","2","","","","- C42 H54 Cl4 N4 Ni2 O2 -","- C42 H54 Cl4 N4 Ni2 O2 -","- C42 H54 Cl4 N4 Ni2 O2 -","1","0.5","","Zhang, Youfu; Huang, Chuanbing; Wang, Xinxin; Mahmood, Qaiser; Hao, Xiang; Hu, Xinquan; Guo, Cun-Yue; Solan, Gregory A.; Sun, Wen-Hua","Highly branched unsaturated polyethylenes achievable using strained imino-cyclopenta[b]pyridyl-nickel precatalysts","Polymer Chemistry","2017","8","6","995","","10.1039/C6PY02089E","","","0.71073","MoKα","","0.0384","0.0336","","","0.1043","0.1231","","","","","","1.262","","","","has coordinates","234784","2020-10-21","18:00:00",""
"1553408","9.0742","0.0018","14.496","0.003","12.391","0.003","90","","98.03","0.03","90","","1613.9","0.6","173.15","","173.15","","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C36 H40 Cl2 N4 Ni -","- C36 H40 Cl2 N4 Ni -","- C72 H80 Cl4 N8 Ni2 -","2","0.5","","Zhang, Youfu; Huang, Chuanbing; Wang, Xinxin; Mahmood, Qaiser; Hao, Xiang; Hu, Xinquan; Guo, Cun-Yue; Solan, Gregory A.; Sun, Wen-Hua","Highly branched unsaturated polyethylenes achievable using strained imino-cyclopenta[b]pyridyl-nickel precatalysts","Polymer Chemistry","2017","8","6","995","","10.1039/C6PY02089E","","","0.71073","MoKα","","0.0373","0.0358","","","0.0854","0.0865","","","","","","1.0388","","","","has coordinates","234784","2020-10-21","18:00:00",""
"1553409","5.2286","0.0005","8.35","0.0006","20.2441","0.0018","79.956","0.007","89.888","0.008","81.369","0.007","860.17","0.13","290","2","290","2","","","","","","","","5","P -1","-P 1","2","","PBDK1","","- C17 H20 Br N O5 -","- C17 H20 Br N O5 -","- C34 H40 Br2 N2 O10 -","2","1","","Xie, Tongqing; Zhang, Baicheng; Zhang, Xuepeng; Zhang, Guoqing","AIE-active β-diketones containing pyridiniums: fluorogenic binding to cellulose and water-vapour-recoverable mechanochromic luminescence","Materials Chemistry Frontiers","2017","1","4","693","","10.1039/C6QM00187D","","","0.71073","MoKα","","0.0965","0.0586","","","0.1258","0.1487","","","","","","1.025","","","","has coordinates,has disorder","234962","2020-10-21","18:00:00",""
"1553410","9.6692","0.0002","15.1682","0.0003","28.4042","0.0005","90","","95.927","0.002","90","","4143.61","0.14","293","2","293","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C46 H44 Br2 N2 Ni -","- C46 H44 Br2 N2 Ni -","- C184 H176 Br8 N8 Ni4 -","4","0.5","","Sui, Xuelin; Hong, Changwen; Pang, Wenmin; Chen, Changle","Unsymmetrical α-diimine palladium catalysts and their properties in olefin (co)polymerization","Materials Chemistry Frontiers","2017","1","5","967","","10.1039/C6QM00235H","","","1.54178","CuKα","","0.1277","0.1202","","","0.3249","0.3336","","","","","","1.062","","","","has coordinates","234964","2020-10-21","18:00:00",""
"1553411","10.7748","0.0004","24.3601","0.0008","18.0013","0.0008","90","","95.951","0.004","90","","4699.4","0.3","293","2","293","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C56 H49 Cl3 N2 Pd -","- C55 H47 Cl N2 Pd -","- C220 H188 Cl4 N8 Pd4 -","4","1","","Sui, Xuelin; Hong, Changwen; Pang, Wenmin; Chen, Changle","Unsymmetrical α-diimine palladium catalysts and their properties in olefin (co)polymerization","Materials Chemistry Frontiers","2017","1","5","967","","10.1039/C6QM00235H","","","0.71073","MoKα","","0.1581","0.1192","","","0.3576","0.3835","","","","","","1.976","","","","has coordinates","234964","2020-10-21","18:00:00",""
"1553412","13.1491","0.0006","19.2193","0.001","19.3227","0.0008","105.127","0.004","109.315","0.004","96.896","0.004","4333","0.4","290","2","290","2","","","","","","","","5","P -1","-P 1","2","","","","- C47 H47 Cl N2 Pd -","- C47 H47 Cl N2 Pd -","- C188 H188 Cl4 N8 Pd4 -","4","2","","Sui, Xuelin; Hong, Changwen; Pang, Wenmin; Chen, Changle","Unsymmetrical α-diimine palladium catalysts and their properties in olefin (co)polymerization","Materials Chemistry Frontiers","2017","1","5","967","","10.1039/C6QM00235H","","","1.54184","CuKα","","0.1046","0.0893","","","0.2273","0.238","","","","","","1.079","","","","has coordinates","234964","2020-10-21","18:00:00",""
"1553413","15.4081","0.0005","6.0485","0.0002","22.1271","0.0007","90","","102.299","0.003","90","","2014.83","0.12","173","0.3","173.15","","","","","","","","","3","I 1 2 1","I 2y","5","TPT","2,3,4,5-tetraphenylthiophene","","- C28 H20 S -","- C28 H20 S -","- C112 H80 S4 -","4","1","","Nie, Han; Hu, Kun; Cai, Yuanjing; Peng, Qian; Zhao, Zujin; Hu, Rongrong; Chen, Junwu; Su, Shi-Jian; Qin, Anjun; Tang, Ben Zhong","Tetraphenylfuran: aggregation-induced emission or aggregation-caused quenching?","Materials Chemistry Frontiers","2017","1","6","1125","","10.1039/C6QM00343E","","","1.54178","CuKα","","0.0378","0.0355","","","0.0832","0.0851","","","","","","1.002","","","","has coordinates","234966","2020-10-21","18:00:00",""
"1553414","21.71","0.007","8.16","0.0015","24.855","0.008","90","","113.396","0.019","90","","4041","2","293","2","293","2","","","","","","","","3","I 1 2/c 1","-I 2yc","15","TPF","2,3,4,5-tetraphenylfuran","","- C28 H20 O -","- C28 H20 O -","- C224 H160 O8 -","8","1","","Nie, Han; Hu, Kun; Cai, Yuanjing; Peng, Qian; Zhao, Zujin; Hu, Rongrong; Chen, Junwu; Su, Shi-Jian; Qin, Anjun; Tang, Ben Zhong","Tetraphenylfuran: aggregation-induced emission or aggregation-caused quenching?","Materials Chemistry Frontiers","2017","1","6","1125","","10.1039/C6QM00343E","","","0.71073","MoKα","","0.0489","0.0378","","","0.1012","0.1095","","","","","","1.052","","","","has coordinates","234966","2020-10-21","18:00:00",""
"1553415","10.495","0.004","11.772","0.004","13.789","0.006","81.56","0.02","71.751","0.016","72.938","0.017","1543.9","1.1","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C40 H26 N2 O2 S2 -","- C40 H26 N2 O2 S2 -","- C80 H52 N4 O4 S4 -","2","1","","Keshav, Karunesh; Kumawat, Mukesh Kumar; Srivastava, Rohit; Ravikanth, M.","Benzothiazoles-substituted tetraphenylethylenes: synthesis, structure, aggregation-induced emission and biological studies","Materials Chemistry Frontiers","2017","1","6","1207","","10.1039/C6QM00374E","","","0.71075","MoKα","","0.0933","0.0723","","","0.1448","0.1561","","","","","","1.132","","","","has coordinates","234969","2020-10-21","18:00:00",""
"1553416","13.352","0.004","16.32","0.005","17.943","0.005","99.33","0.004","104.402","0.0016","108.992","0.003","3452.4","1.8","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C42 H30 N2 O2 S2 -","- C42 H30 N2 O2 S2 -","- C168 H120 N8 O8 S8 -","4","2","","Keshav, Karunesh; Kumawat, Mukesh Kumar; Srivastava, Rohit; Ravikanth, M.","Benzothiazoles-substituted tetraphenylethylenes: synthesis, structure, aggregation-induced emission and biological studies","Materials Chemistry Frontiers","2017","1","6","1207","","10.1039/C6QM00374E","","","0.71075","MoKα","","0.0989","0.0733","","","0.1649","0.1808","","","","","","1.101","","","","has coordinates","234969","2020-10-21","18:00:00",""
"1553417","11.4427","0.0017","14.514","0.002","16.196","0.003","65.694","0.005","69.783","0.005","73.998","0.005","2272.2","0.6","98","2","98","2","","","","","","","","5","P -1","-P 1","2","","ZnTETA","","- C78 H82 N4 O16 Zn3 -","- C78 H82 N4 O16 Zn3 -","- C78 H82 N4 O16 Zn3 -","1","0.5","","King, Stephen Charles; Lin, Rui-Biao; Wang, Hailong; Arman, Hadi D.; Chen, Banglin","Two-dimensional metal‒organic frameworks for selective separation of CO2/CH4 and CO2/N2","Materials Chemistry Frontiers","2017","1","8","1514","","10.1039/C6QM00375C","","","0.71073","MoKα","","0.172","0.1319","","","0.318","0.3495","","","","","","1.059","","","","has coordinates,has disorder","234971","2020-10-21","18:00:00",""
"1553497","8.125","0.0016","9.328","0.0019","11.408","0.002","90.91","0.03","96.19","0.03","107.69","0.03","817.8","0.3","293","2","293","2","","","","","","","","4","P -1","-P 1","2","","","","- C19 H17 N O4 -","- C19 H17 N O4 -","- C38 H34 N2 O8 -","2","1","","Dai, Jie; Ren, Wenlong; Chang, Wenju; Zhang, Ping; Shi, Yian","An effective route to β2-amino acid derivatives via Pd-catalyzed regioselective hydrocarboxylation of 1,2-disubstituted enimides","Organic Chemistry Frontiers","2017","4","2","297","","10.1039/C6QO00353B","","","0.71073","MoKα","","0.1599","0.0691","","","0.1238","0.1481","","","","","","1.001","","","","has coordinates","235064","2020-10-21","18:00:00",""
"1553519","11.5593","0.0003","14.0068","0.0003","17.8914","0.0004","90","","90","","90","","2896.78","0.12","130","","130","","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C36 H32 F2 N2 O2 -","- C36 H32 F2 N2 O2 -","- C144 H128 F8 N8 O8 -","4","1","","Zhu, Zi-Qi; Yin, Lei; Wang, Yang; Shen, Yang; Li, Can; Mei, Guang-Jian; Shi, Feng","Diastereo- and enantioselective construction of biologically important pyrrolo[1,2-a]indole scaffolds via catalytic asymmetric [3 + 2] cyclodimerizations of 3-alkyl-2-vinylindoles","Organic Chemistry Frontiers","2017","4","1","57","","10.1039/C6QO00446F","","","1.54178","CuKα","","0.0409","0.0361","","","0.1029","0.1084","","","","","","0.821","","","","has coordinates","235091","2020-10-21","18:00:00",""
"1553520","19.661","0.013","10.71","0.007","17.118","0.011","90","","97.306","0.011","90","","3575","4","130","","130","","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C44 H50 N2 -","- C44 H50 N2 -","- C176 H200 N8 -","4","1","","Zhu, Zi-Qi; Yin, Lei; Wang, Yang; Shen, Yang; Li, Can; Mei, Guang-Jian; Shi, Feng","Diastereo- and enantioselective construction of biologically important pyrrolo[1,2-a]indole scaffolds via catalytic asymmetric [3 + 2] cyclodimerizations of 3-alkyl-2-vinylindoles","Organic Chemistry Frontiers","2017","4","1","57","","10.1039/C6QO00446F","","","0.71073","MoKα","","0.1483","0.0877","","","0.1849","0.221","","","","","","1.07","","","","has coordinates","235093","2020-10-21","18:00:00",""
"1553521","6.9478","0.0005","9.1969","0.0005","11.8012","0.001","82.206","0.006","81.643","0.007","75.22","0.006","717.55","0.09","100","2","100","2","","","","","","","","4","P -1","-P 1","2","(Ph-CH3)-S-[Ph(OCH3)3]","","","- C16 H18 O3 S -","- C16 H18 O3 S -","- C32 H36 O6 S2 -","2","1","","Wang, Yang; Zhang, Xiaofeng; Liu, Haixiong; Chen, Hui; Huang, Deguang","Nickel-catalyzed direct formation of the C‒S bonds of aryl sulfides from arylsulfonyl chlorides and aryl iodides using Mn as a reducing agent","Organic Chemistry Frontiers","2017","4","1","31","","10.1039/C6QO00451B","","","1.54184","CuKα","","0.0488","0.0374","","","0.0923","0.0976","","","","","","1.031","","","","has coordinates","235096","2020-10-21","18:00:00",""
"1553522","7.68603","0.00016","23.9176","0.0004","7.76261","0.00017","90","","111.053","0.003","90","","1331.76","0.05","100","2","100","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","(Ph-CH3)-S-(Ph-(OCH3)2)","","","- C15 H16 O2 S -","- C15 H16 O2 S -","- C60 H64 O8 S4 -","4","1","","Wang, Yang; Zhang, Xiaofeng; Liu, Haixiong; Chen, Hui; Huang, Deguang","Nickel-catalyzed direct formation of the C‒S bonds of aryl sulfides from arylsulfonyl chlorides and aryl iodides using Mn as a reducing agent","Organic Chemistry Frontiers","2017","4","1","31","","10.1039/C6QO00451B","","","1.54184","CuKα","","0.0309","0.0287","","","0.0772","0.0786","","","","","","1.07","","","","has coordinates","235096","2020-10-21","18:00:00",""
"1553523","5.7042","0.0003","25.743","0.002","7.8069","0.0004","90","","94.59","0.005","90","","1142.71","0.12","100","2","100","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","(Ph-CH3)-S-(Ph-CN)","","","- C14 H11 N S -","- C14 H11 N S -","- C56 H44 N4 S4 -","4","1","","Wang, Yang; Zhang, Xiaofeng; Liu, Haixiong; Chen, Hui; Huang, Deguang","Nickel-catalyzed direct formation of the C‒S bonds of aryl sulfides from arylsulfonyl chlorides and aryl iodides using Mn as a reducing agent","Organic Chemistry Frontiers","2017","4","1","31","","10.1039/C6QO00451B","","","0.71073","MoKα","","0.049","0.0426","","","0.0937","0.0967","","","","","","1.066","","","","has coordinates","235096","2020-10-21","18:00:00",""
"1553524","5.7958","0.0003","25.4544","0.0012","8.3123","0.0004","90","","93.626","0.004","90","","1223.85","0.1","100","2","100","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","(Ph-CH3)-S-(PhCOCH3)","","","- C15 H14 O S -","- C15 H14 O S -","- C60 H56 O4 S4 -","4","1","","Wang, Yang; Zhang, Xiaofeng; Liu, Haixiong; Chen, Hui; Huang, Deguang","Nickel-catalyzed direct formation of the C‒S bonds of aryl sulfides from arylsulfonyl chlorides and aryl iodides using Mn as a reducing agent","Organic Chemistry Frontiers","2017","4","1","31","","10.1039/C6QO00451B","","","0.71073","MoKα","","0.0442","0.0359","","","0.0856","0.0903","","","","","","1.046","","","","has coordinates","235096","2020-10-21","18:00:00",""
"1553525","5.611","0.0003","25.6833","0.0013","8.991","0.0004","90","","98.982","0.004","90","","1279.8","0.11","100","2","100","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","(Ph-CH3)-S-(PhCOOCH3)","","","- C15 H14 O2 S -","- C15 H14 O2 S -","- C60 H56 O8 S4 -","4","1","","Wang, Yang; Zhang, Xiaofeng; Liu, Haixiong; Chen, Hui; Huang, Deguang","Nickel-catalyzed direct formation of the C‒S bonds of aryl sulfides from arylsulfonyl chlorides and aryl iodides using Mn as a reducing agent","Organic Chemistry Frontiers","2017","4","1","31","","10.1039/C6QO00451B","","","1.54184","CuKα","","0.0725","0.0551","","","0.1475","0.1531","","","","","","1.18","","","","has coordinates","235096","2020-10-21","18:00:00",""
"1553526","5.67633","0.00018","26.8781","0.0008","7.7875","0.0002","90","","95.042","0.003","90","","1183.53","0.06","100","2","100","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","(Ph-CN)-S-(PhOCH3)","","","- C14 H11 N O S -","- C14 H11 N O S -","- C56 H44 N4 O4 S4 -","4","1","","Wang, Yang; Zhang, Xiaofeng; Liu, Haixiong; Chen, Hui; Huang, Deguang","Nickel-catalyzed direct formation of the C‒S bonds of aryl sulfides from arylsulfonyl chlorides and aryl iodides using Mn as a reducing agent","Organic Chemistry Frontiers","2017","4","1","31","","10.1039/C6QO00451B","","","1.54184","CuKα","","0.0356","0.0332","","","0.0883","0.0899","","","","","","1.058","","","","has coordinates","235096","2020-10-21","18:00:00",""
"1553527","7.8232","0.0004","11.6428","0.0005","14.5818","0.0007","84.863","0.004","83.654","0.004","73.557","0.004","1263.68","0.11","100","2","100","2","","","","","","","","4","P -1","-P 1","2","(Ph-CN)-S-S-(Ph-CN)","","","- C14 H8 N2 S2 -","- C14 H8 N2 S2 -","- C56 H32 N8 S8 -","4","2","","Wang, Yang; Zhang, Xiaofeng; Liu, Haixiong; Chen, Hui; Huang, Deguang","Nickel-catalyzed direct formation of the C‒S bonds of aryl sulfides from arylsulfonyl chlorides and aryl iodides using Mn as a reducing agent","Organic Chemistry Frontiers","2017","4","1","31","","10.1039/C6QO00451B","","","1.54184","CuKα","","0.0784","0.0691","","","0.2121","0.2166","","","","","","1.119","","","","has coordinates","235096","2020-10-21","18:00:00",""
"1553530","7.455","0.0005","11.3624","0.0007","18.4877","0.0013","90","","92.585","0.006","90","","1564.44","0.18","273.77","0.1","273.77","0.1","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C35 H53 N O3 -","- C35 H53 N O3 -","- C70 H106 N2 O6 -","2","1","","Li, Zheng-Yu; Qi, Feng-Ming; Zhi, De-Juan; Hu, Qiao-Ling; Liu, Ying-Hong; Zhang, Zhan-Xin; Fei, Dong-Qing","A novel spirocyclic triterpenoid and a new taraxerane triterpenoid from Teucrium viscidum","Organic Chemistry Frontiers","2017","4","1","42","","10.1039/C6QO00460A","","x-ray","1.54184","CuKα","","0.0628","0.0567","","","0.1539","0.1616","","","","","","1.04","","","","has coordinates","235102","2020-10-21","18:00:00",""
"1553531","6.52391","0.0001","12.9427","0.0002","31.7963","0.0006","90","","90","","90","","2684.78","0.08","154.89","0.1","293","","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C30 H50 O3 -","- C30 H50 O3 -","- C120 H200 O12 -","4","1","","Li, Zheng-Yu; Qi, Feng-Ming; Zhi, De-Juan; Hu, Qiao-Ling; Liu, Ying-Hong; Zhang, Zhan-Xin; Fei, Dong-Qing","A novel spirocyclic triterpenoid and a new taraxerane triterpenoid from Teucrium viscidum","Organic Chemistry Frontiers","2017","4","1","42","","10.1039/C6QO00460A","","x-ray","1.54184","CuKα","","0.0436","0.0381","","","0.0965","0.1006","","","","","","1.023","","","","has coordinates","235102","2020-10-21","18:00:00",""
"1553543","7.348","0.0009","22.781","0.003","11.236","0.0015","90","","101.092","0.013","90","","1845.7","0.4","293","2","293.15","","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C22 H21 N O2 -","- C22 H21 N O2 -","- C88 H84 N4 O8 -","4","1","","Yu, Wenlong; Zhang, Wei; Liu, Yue; Liu, Zhanxiang; Zhang, Yuhong","Cobalt(iii)-catalyzed cross-coupling of enamides with allyl acetates/maleimides","Organic Chemistry Frontiers","2017","4","1","77","","10.1039/C6QO00479B","","","0.71073","MoKα","","0.1248","0.0677","","","0.1801","0.2255","","","","","","1.024","","","","has coordinates,has disorder","235114","2020-10-21","18:00:00",""
"1553544","9.3103","0.0008","4.8793","0.0005","30.741","0.003","90","","96.596","0.008","90","","1387.3","0.2","293","2","293.15","","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C15 H16 N2 O3 -","- C15 H16 N2 O3 -","- C60 H64 N8 O12 -","4","1","","Yu, Wenlong; Zhang, Wei; Liu, Yue; Liu, Zhanxiang; Zhang, Yuhong","Cobalt(iii)-catalyzed cross-coupling of enamides with allyl acetates/maleimides","Organic Chemistry Frontiers","2017","4","1","77","","10.1039/C6QO00479B","","","0.71073","MoKα","","0.0875","0.0562","","","0.1248","0.1436","","","","","","1.043","","","","has coordinates","235116","2020-10-21","18:00:00",""
"1553545","33.922","0.006","33.922","0.006","11.008","0.002","90","","90","","120","","10970","3","173","2","173","2","","","","","","","","5","R 3 c :H","R 3 -2""c","161","","","","- C25 H21 N O2 S -","- C25 H21 N O2 S -","- C450 H378 N18 O36 S18 -","18","1","","Gong, Xinxing; Li, Guangming; Wu, Jie","Synthesis of polycyclic sultams via a palladium-catalyzed reaction of 1-bromo-2-(cyclopropylidenemethyl)benzenes with 2-alkynylbenzenesulfonamides","Organic Chemistry Frontiers","2017","4","1","14","","10.1039/C6QO00480F","","","0.71073","MoKα","","0.0953","0.062","","","0.1336","0.1442","","","","","","0.925","","","","has coordinates","235118","2020-10-21","18:00:00",""
"1553547","5.3248","0.0004","17.2473","0.001","7.6729","0.0006","90","","96.167","0.006","90","","700.59","0.09","123","","123","2","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","","","- C18 H12 Br2 -","- C18 H12 Br2 -","- C36 H24 Br4 -","2","0.5","","Wilbuer, J.; Grenz, D. C.; Schnakenburg, G.; Esser, B.","Donor- and acceptor-functionalized dibenzo[a,e]pentalenes: modulation of the electronic band gap","Organic Chemistry Frontiers","2017","4","5","658","","10.1039/C6QO00487C","","","0.71073","MoKα","","0.0461","0.0231","","","0.0494","0.0525","","","","","","0.84","","","","has coordinates","235123","2020-10-21","18:00:00",""
"1553548","6.6723","0.0015","8.653","0.002","15.099","0.003","90","","111.66","0.01","90","","810.2","0.3","123","","123.15","","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C20 H16 Br2 -","- C20 H16 Br2 -","- C40 H32 Br4 -","2","0.5","","Wilbuer, J.; Grenz, D. C.; Schnakenburg, G.; Esser, B.","Donor- and acceptor-functionalized dibenzo[a,e]pentalenes: modulation of the electronic band gap","Organic Chemistry Frontiers","2017","4","5","658","","10.1039/C6QO00487C","","","0.71073","MoKα","","0.0845","0.0628","","","0.1605","0.1831","","","","","","1.076","","","","has coordinates","235123","2020-10-21","18:00:00",""
"1553549","21.802","0.003","4.9336","0.0005","18.875","0.003","90","","90.188","0.013","90","","2030.2","0.5","123","","123","","","","","","","","","3","C 1 2/c 1","-C 2yc","15","","","","- C28 H16 Br2 -","- C28 H16 Br2 -","- C112 H64 Br8 -","4","0.5","","Wilbuer, J.; Grenz, D. C.; Schnakenburg, G.; Esser, B.","Donor- and acceptor-functionalized dibenzo[a,e]pentalenes: modulation of the electronic band gap","Organic Chemistry Frontiers","2017","4","5","658","","10.1039/C6QO00487C","","","0.71073","MoKα","","0.1474","0.0681","","","0.157","0.1785","","","","","","0.831","","","","has coordinates,has disorder","235123","2020-10-21","18:00:00",""
"1553550","10.0648","0.0005","11.6684","0.0006","12.2462","0.0006","77.981","0.002","86.017","0.002","79.287","0.002","1381.44","0.12","100","","100","","","","","","","","","3","P -1","-P 1","2","","jm192.1","","- C36 H32 Br2 -","- C36 H32 Br2 -","- C72 H64 Br4 -","2","1","","Wilbuer, J.; Grenz, D. C.; Schnakenburg, G.; Esser, B.","Donor- and acceptor-functionalized dibenzo[a,e]pentalenes: modulation of the electronic band gap","Organic Chemistry Frontiers","2017","4","5","658","","10.1039/C6QO00487C","","","0.71073","MoKα","","0.0695","0.0508","","","0.1308","0.1396","","","","","","1.07","","","","has coordinates,has disorder","235123","2020-10-21","18:00:00",""
"1553551","11.131","0.0004","10.249","0.0003","11.763","0.0004","90","","101.301","0.002","90","","1315.92","0.08","100","2","100","","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","","","- C34 H28 Br2 -","- C34 H28 Br2 -","- C68 H56 Br4 -","2","0.5","","Wilbuer, J.; Grenz, D. C.; Schnakenburg, G.; Esser, B.","Donor- and acceptor-functionalized dibenzo[a,e]pentalenes: modulation of the electronic band gap","Organic Chemistry Frontiers","2017","4","5","658","","10.1039/C6QO00487C","","x-ray","1.54178","CuKα","","0.1028","0.0691","","","0.1474","0.1648","","","","","","1.041","","","","has coordinates","235123","2020-10-21","18:00:00",""
"1553552","10.8252","0.0008","13.5794","0.001","14.2122","0.001","114.377","0.004","91.316","0.005","95.604","0.004","1889.2","0.2","100","","100","","","","","","","","","2","P -1","-P 1","2","","jm245.3b","","- C50 H38 -","- C50 H38 -","- C100 H76 -","2","1","","Wilbuer, J.; Grenz, D. C.; Schnakenburg, G.; Esser, B.","Donor- and acceptor-functionalized dibenzo[a,e]pentalenes: modulation of the electronic band gap","Organic Chemistry Frontiers","2017","4","5","658","","10.1039/C6QO00487C","","x-ray","1.54178","CuKα","","0.1377","0.1086","","","0.259","0.2735","","","","","","1.09","","","","has coordinates","235123","2020-10-21","18:00:00",""
"1553554","20.3","0.005","5.882","0.005","27.651","0.005","90","0.002","94.075","0.003","90","0.001","3293","3","100","2","100","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","iodo methoxy phenyl methyl phenylselenophene","3-iodo-5-(methoxy(phenyl)methyl)-2-phenylselenophene","","- C18 H15 I O Se -","- C18 H15 I O Se -","- C144 H120 I8 O8 Se8 -","8","1","","Pistoia, Renan P.; Roehrs, Juliano A.; Back, Davi F.; Zeni, Gilson","Iodine-mediated regioselective 5-endo-dig electrophilic cyclization reaction of selenoenynes: synthesis of selenophene derivatives","Organic Chemistry Frontiers","2017","4","2","277","","10.1039/C6QO00491A","","","0.71073","MoKα","","0.0854","0.046","","","0.0627","0.0699","","","","","","1.037","","","","has coordinates","235127","2020-10-21","18:00:00",""
"1553555","19.0809","0.0007","5.7136","0.0002","17.2112","0.0006","90","","100.175","0.001","90","","1846.87","0.11","100","2","100","2","","","","","","","","5","P 1 2/c 1","-P 2yc","13","3-iodo-5-isopropoxy-2,4-diphenylselenophene","3-iodo-5-isopropoxy-2,4-diphenylselenophene","","- C20 H19 I O Se -","- C20 H19 I O Se -","- C80 H76 I4 O4 Se4 -","4","1","","Pistoia, Renan P.; Roehrs, Juliano A.; Back, Davi F.; Zeni, Gilson","Iodine-mediated regioselective 5-endo-dig electrophilic cyclization reaction of selenoenynes: synthesis of selenophene derivatives","Organic Chemistry Frontiers","2017","4","2","277","","10.1039/C6QO00491A","","","0.71073","MoKα","","0.0243","0.0207","","","0.0482","0.0495","","","","","","1.07","","","","has coordinates","235127","2020-10-21","18:00:00",""
"1553556","11.4186","0.0019","9.7011","0.0017","13.152","0.002","90","","92.473","0.004","90","","1455.5","0.4","293","2","293","2","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C29 H25 Cl N2 O8 S -","- C29 H25 Cl N2 O8 S -","- C58 H50 Cl2 N4 O16 S2 -","2","1","","He, Fu-Sheng; Li, Cong-Shan; Deng, Hua; Zheng, Xing; Yang, Zhong-Tao; Deng, Wei-Ping","The facile and stereoselective synthesis of pyrrolidine β-amino acids via copper(i)-catalyzed asymmetric 1,3-dipolar cycloaddition","Organic Chemistry Frontiers","2017","4","1","52","","10.1039/C6QO00512H","","","0.71073","MoKα","","0.0552","0.0461","","","0.1112","0.1179","","","","","","1","","","","has coordinates","235129","2020-10-21","18:00:00",""
"1553557","14.3717","0.0006","5.917","0.0002","21.4597","0.0009","90","","90","","90","","1824.88","0.12","300","","300","","","","","","","","","3","P n 21 a","P -2ac -2n","33","","","","- C25 H18 O2 -","- C25 H18 O2 -","- C100 H72 O8 -","4","1","","Sreenivasulu, Chinnabattigalla; Gopi Krishna Reddy, A.; Satyanarayana, G.","Oxidative annulations triggered by a simple Lewis acid: facile synthesis of benzofurans","Organic Chemistry Frontiers","2017","4","6","972","","10.1039/C6QO00531D","","","1.54184","CuKα","","0.1073","0.0671","","","0.1467","0.1967","","","","","","1.0503","","","","has coordinates","235134","2020-10-21","18:00:00",""
"1553558","7.9447","0.0003","10.3826","0.0004","17.0108","0.0007","90","","90","","90","","1403.16","0.1","300","","300","","","","","","","","Synthesized compound","3","P 21 21 21","P 2ac 2ab","19","","2,3-diphenylbenzofuran","","- C20 H14 O -","- C20 H14 O -","- C80 H56 O4 -","4","1","","Sreenivasulu, Chinnabattigalla; Gopi Krishna Reddy, A.; Satyanarayana, G.","Oxidative annulations triggered by a simple Lewis acid: facile synthesis of benzofurans","Organic Chemistry Frontiers","2017","4","6","972","","10.1039/C6QO00531D","","","1.54184","CuKα","","0.0579","0.0502","","","0.1222","0.1338","","","","","","1.0451","","","","has coordinates","235134","2020-10-21","18:00:00",""
"1553559","21.226","0.003","8.2493","0.0007","16.985","0.002","90","","109.61","0.014","90","","2801.6","0.6","294.74","0.1","294.74","0.1","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C27 H31 N O7 S3 -","- C27 H31 N O7 S3 -","- C108 H124 N4 O28 S12 -","4","1","","Chen, Fei; Zhou, Neng-Neng; Zhan, Jun-Long; Han, Bing; Yu, Wei","tert-Butyl nitrite-mediated vicinal sulfoximation of alkenes with sulfinic acids: a highly efficient approach toward α-sulfonyl ketoximes","Organic Chemistry Frontiers","2017","4","1","135","","10.1039/C6QO00535G","","","0.71073","MoKα","","0.1316","0.0909","","","0.2444","0.2645","","","","","","1.073","","","","has coordinates","235136","2020-10-21","18:00:00",""
"1553560","25.961","0.0017","5.793","0.0003","22.2512","0.0017","90","","114.088","0.009","90","","3055","0.4","293.64","0.1","293.64","0.1","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C15 H21 N O3 S -","- C15 H21 N O3 S -","- C120 H168 N8 O24 S8 -","8","1","","Chen, Fei; Zhou, Neng-Neng; Zhan, Jun-Long; Han, Bing; Yu, Wei","tert-Butyl nitrite-mediated vicinal sulfoximation of alkenes with sulfinic acids: a highly efficient approach toward α-sulfonyl ketoximes","Organic Chemistry Frontiers","2017","4","1","135","","10.1039/C6QO00535G","","x-ray","0.71073","MoKα","","0.1117","0.0626","","","0.1415","0.1744","","","","","","1.032","","","","has coordinates","235136","2020-10-21","18:00:00",""
"1553561","6.52","0.006","8.149","0.007","18.175","0.015","102.278","0.014","95.21","0.015","97.731","0.016","927.9","1.4","293","2","293","2","","","","","","","","6","P -1","-P 1","2","","","","- C18 H16 F3 N O2 S2 -","- C18 H16 F3 N O2 S2 -","- C36 H32 F6 N2 O4 S4 -","2","1","","Chen, Min-Tao; Tang, Xiang-Ying; Shi, Min","A facile approach for the trifluoromethylthiolation of methylenecyclopropanes","Organic Chemistry Frontiers","2017","4","1","86","","10.1039/C6QO00536E","","","0.71073","MoKα","","0.1295","0.0942","","","0.2386","0.2635","","","","","","1.05","","","","has coordinates,has disorder","235138","2020-10-21","18:00:00",""
"1553562","13.451","0.004","14.313","0.004","15.248","0.004","86.714","0.004","63.827","0.003","90.014","0.004","2629.2","1.3","110","","110","","","","","","","","","4","P -1","-P 1","2","","","","- C17 H15 N O2 -","- C17 H15 N O2 -","- C136 H120 N8 O16 -","8","4","","Rajaguru, Kandasamy; Mariappan, Arumugam; Muthusubramanian, Shanmugam; Bhuvanesh, Nattamai","Divergent reactivity of α-azidochalcones with metal β-diketonates: tunable synthesis of substituted pyrroles and indoles","Organic Chemistry Frontiers","2017","4","1","124","","10.1039/C6QO00541A","","","0.71073","MoKα","","0.0847","0.0536","","","0.1215","0.1378","","","","","","1.039","","","","has coordinates","235140","2020-10-21","18:00:00",""
"1553563","7.3875","0.0004","11.6702","0.0006","13.4944","0.0007","64.647","0.001","82.911","0.001","77.69","0.001","1026.5","0.09","100.01","","100.01","","","","","","","","","5","P -1","-P 1","2","","","","- C26 H20 Cl N O3 -","- C26 H20 Cl N O3 -","- C52 H40 Cl2 N2 O6 -","2","1","","Rajaguru, Kandasamy; Mariappan, Arumugam; Muthusubramanian, Shanmugam; Bhuvanesh, Nattamai","Divergent reactivity of α-azidochalcones with metal β-diketonates: tunable synthesis of substituted pyrroles and indoles","Organic Chemistry Frontiers","2017","4","1","124","","10.1039/C6QO00541A","","","0.71073","MoKα","","0.0347","0.0314","","","0.0892","0.0913","","","","","","1.037","","","","has coordinates","235140","2020-10-21","18:00:00",""
"1553564","8.5455","0.0004","12.047","0.0006","12.1501","0.0006","60.733","0.001","81.883","0.002","87.112","0.002","1079.97","0.09","100.01","","100.01","","","","","","","","","5","P -1","-P 1","2","","","","- C23 H24 N2 O6 S -","- C23 H24 N2 O6 S -","- C46 H48 N4 O12 S2 -","2","1","","Rajaguru, Kandasamy; Mariappan, Arumugam; Muthusubramanian, Shanmugam; Bhuvanesh, Nattamai","Divergent reactivity of α-azidochalcones with metal β-diketonates: tunable synthesis of substituted pyrroles and indoles","Organic Chemistry Frontiers","2017","4","1","124","","10.1039/C6QO00541A","","","0.71073","MoKα","","0.0552","0.0474","","","0.1229","0.1296","","","","","","1.069","","","","has coordinates","235140","2020-10-21","18:00:00",""
"1553565","9.3265","0.001","9.7095","0.0009","23.593","0.002","78.225","0.008","84.998","0.008","75.52","0.008","2023.6","0.3","193","2","193","2","","","","","","","","4","P -1","-P 1","2","","","","- C44 H52 N4 S4 -","- C44 H52 N4 S4 -","- C88 H104 N8 S8 -","2","1","","Xia, Debin; Keerthi, Ashok; An, Cunbin; Baumgarten, Martin","Synthesis of a quinoidal dithieno[2,3-d;2′,3′-d]benzo[2,1-b;3,4-b′]-dithiophene based open-shell singlet biradicaloid","Organic Chemistry Frontiers","2017","4","1","18","","10.1039/C6QO00543H","","","1.54178","CuKα","","0.1924","0.0676","","","0.1475","0.2042","","","","","","0.802","","","","has coordinates","235142","2020-10-21","18:00:00",""
"1553566","8.101","0.0016","19.041","0.004","13.693","0.003","90","","107.19","0.03","90","","2017.8","0.8","293","2","293","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C20 H21 N O8 -","- C20 H21 N O8 -","- C80 H84 N4 O32 -","4","1","","Zhang, Li; Zhang, Beichen; Jiang, Teng; Lu, Tao; Zhou, Qingfa","Synthesis of tricyclic 3-hydroxyisoindolin-1-ones via triethylamine-catalyzed domino reactions of electron-deficient alkynes with phthalimidomalonate derivatives","Organic Chemistry Frontiers","2017","4","1","119","","10.1039/C6QO00544F","","","0.71073","MoKα","","0.1304","0.0679","","","0.1552","0.1807","","","","","","1.008","","","","has coordinates","235144","2020-10-21","18:00:00",""
"1553567","11.366","0.004","11.305","0.004","14.788","0.006","90","","110.536","0.006","90","","1779.4","1.1","296","2","296","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C22 H16 Cl N O2 -","- C22 H16 Cl N O2 -","- C88 H64 Cl4 N4 O8 -","4","1","","Zhu, Chao-Qun; Deng, Zhuo-Fei; Zhang, Yahong; Wang, You-Qing","Synthesis of 4-substituted 3-(2-hydroxyphenyl)-quinolines through an unexpected iron(iii) chloride promoted reaction of cyclic imine dibenzo[b,f][1,4]oxazepines with alkynes","Organic Chemistry Frontiers","2017","4","2","196","","10.1039/C6QO00545D","","","0.71073","MoKα","","0.0485","0.0359","","","0.11","0.1195","","","","","","0.973","","","","has coordinates","235146","2020-10-21","18:00:00",""
"1553568","8.902","0.006","13.209","0.009","12.059","0.008","90","","99.65","0.007","90","","1397.9","1.6","296","2","296","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C33 H30 N4 O3 -","- C33 H30 N4 O3 -","- C66 H60 N8 O6 -","2","1","","Cheng, Cang; Lu, Xuehe; Ge, Luo; Chen, Jie; Cao, Weiguo; Wu, Xiaoyu; Zhao, Gang","Effective asymmetric vinylogous Mannich reaction of isatin imines with α,α-dicyanoolefins in the presence of a simple chiral amide phosphonium bifunctional phase transfer catalyst","Organic Chemistry Frontiers","2017","4","1","101","","10.1039/C6QO00546B","","","0.71073","MoKα","","0.0389","0.0335","","","0.0782","0.0823","","","","","","1.051","","","","has coordinates","235147","2020-10-21","18:00:00",""
"1553569","9.662","0.004","12.286","0.006","24.441","0.011","90","","90","","90","","2901","2","296","2","296","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C31 H27 Br N4 O3 -","- C31 H27 Br N4 O3 -","- C124 H108 Br4 N16 O12 -","4","1","","Cheng, Cang; Lu, Xuehe; Ge, Luo; Chen, Jie; Cao, Weiguo; Wu, Xiaoyu; Zhao, Gang","Effective asymmetric vinylogous Mannich reaction of isatin imines with α,α-dicyanoolefins in the presence of a simple chiral amide phosphonium bifunctional phase transfer catalyst","Organic Chemistry Frontiers","2017","4","1","101","","10.1039/C6QO00546B","","","0.71073","MoKα","","0.0536","0.0363","","","0.0791","0.0854","","","","","","1.034","","","","has coordinates","235147","2020-10-21","18:00:00",""
"1553570","8.4091","0.0001","8.4091","0.0001","29.3175","0.0006","90","","90","","90","","2073.13","0.05","293","2","293","2","","","","","","","","4","P 41","P 4w","76","","","","- C25 H23 N O3 -","- C25 H23 N O3 -","- C100 H92 N4 O12 -","4","1","","Xu, Meng-Meng; Wang, Hai-Qing; Wan, Ying; He, Guofeng; Yan, Jingjing; Zhang, Shu; Wang, Shu-Liang; Shi, Feng","Catalytic asymmetric substitution of ortho-hydroxybenzyl alcohols with tetronic acid-derived enamines: enantioselective synthesis of tetronic acid-derived diarylmethanes","Organic Chemistry Frontiers","2017","4","3","358","","10.1039/C6QO00549G","","","1.54178","CuKα","","0.0591","0.0574","","","0.1527","0.155","","","","","","1.047","","","","has coordinates","235149","2020-10-21","18:00:00",""
"1553571","7.2915","0.0005","12.7983","0.001","15.9552","0.0009","90","","90","","90","","1488.92","0.18","293","2","293","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C15 H17 Cl N2 O3 -","- C15 H17 Cl N2 O3 -","- C60 H68 Cl4 N8 O12 -","4","1","","Peng, Xiao-Jiao; Ho, Yee Ann; Wang, Zhi-Peng; Shao, Pan-Lin; Zhao, Yu; He, Yun","Formal [3 + 2] cycloaddition of α-unsubstituted isocyanoacetates and methyleneindolinones: enantioselective synthesis of spirooxindoles","Organic Chemistry Frontiers","2017","4","1","81","","10.1039/C6QO00555A","","","0.71073","MoKα","","0.071","0.0481","","","0.095","0.1103","","","","","","1.052","","","","has coordinates","235151","2020-10-21","18:00:00",""
"1553572","7.74798","0.00019","9.1129","0.0002","21.719","0.0005","90","","90","","90","","1533.5","0.06","293","2","293","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C15 H11 Cl F3 N3 O3 -","- C15 H11 Cl F3 N3 O3 -","- C60 H44 Cl4 F12 N12 O12 -","4","1","","Hao, Xin-Qi; Wang, Cong; Liu, Shuang-Liang; Wang, Xiao; Wang, Li; Gong, Jun-Fang; Song, Mao-Ping","Cobalt(ii)/(imidazoline‒oxazoline)-catalyzed enantioselective Michael addition of 2-acetyl azaarenes to β-CF3-β-disubstituted nitroalkenes","Organic Chemistry Frontiers","2017","4","2","308","","10.1039/C6QO00562D","","x-ray","1.54184","CuKα","","0.039","0.0367","","","0.0913","0.094","","","","","","1.069","","","","has coordinates","235153","2020-10-21","18:00:00",""
"1553573","7.68","0.005","8.494","0.005","11.449","0.007","85.96","0.007","77.314","0.007","66.467","0.007","667.9","0.7","296","2","296","2","","","","","","","","5","P -1","-P 1","2","","","","- C14 H13 N3 O S -","- C14 H13 N3 O S -","- C28 H26 N6 O2 S2 -","2","1","","Chen, Jichao; Wang, Tianyu; Wang, Tong; Lin, Aijun; Yao, Hequan; Xu, Jinyi","Copper-catalyzed C5-selective thio/selenocyanation of 8-aminoquinolines","Organic Chemistry Frontiers","2017","4","1","130","","10.1039/C6QO00590J","","","0.71073","MoKα","","0.0618","0.0458","","","0.1472","0.1661","","","","","","0.986","","","","has coordinates","235155","2020-10-21","18:00:00",""
"1553574","9.8916","0.0007","26.4389","0.0019","7.7778","0.0006","90","","90","","90","","2034.1","0.3","133","2","133","2","","","","","","","","6","P 21 21 2","P 2 2ab","18","","","","- C19 H23 Br N O3 P -","- C19 H23 Br N O3 P -","- C76 H92 Br4 N4 O12 P4 -","4","1","","Wang, Xubin; Wang, Xiaoming; Han, Zhaobin; Wang, Zheng; Ding, Kuiling","Palladium-catalyzed asymmetric allylic amination: enantioselective synthesis of chiral α-methylene substituted β-aminophosphonates","Organic Chemistry Frontiers","2017","4","2","271","","10.1039/C6QO00597G","","","0.71073","MoKα","","0.0629","0.0454","","","0.1077","0.1145","","","","","","1.092","","","","has coordinates","235157","2020-10-21","18:00:00",""
"1553575","21.2715","0.0003","21.2715","0.0003","64.3247","0.0014","90","","90","","90","","29105.4","0.9","293","2","293","2","","","","","","","","5","P 41 21 2","P 4abw 2nw","92","","azahelicene dimer","","- C153.47 H187.47 Cl4.41 N2 Si8 -","- C153.47 H187.479 Cl4.41 N2 Si8 -","- C1227.76 H1499.83 Cl35.28 N16 Si64 -","8","1","","Ushiyama, Ayako; Hiroto, Satoru; Yuasa, Junpei; Kawai, Tsuyoshi; Shinokubo, Hiroshi","Synthesis of a figure-eight azahelicene dimer with high emission and CPL properties","Organic Chemistry Frontiers","2017","4","5","664","","10.1039/C6QO00629A","","","0.71073","MoKα","","0.1947","0.1475","","","0.3637","0.4128","","","","","","1.172","","","","has coordinates,has disorder","235160","2020-10-21","18:00:00",""
"1553576","9.4639","0.0002","21.8249","0.0005","9.3192","0.0002","90","","104.752","0.003","90","","1861.42","0.07","150","0.1","150","0.1","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C21 H21 Cl F N O2 -","- C21 H21 Cl F N O2 -","- C84 H84 Cl4 F4 N4 O8 -","4","1","","Li, Jianxiao; Hu, Weigao; Li, Chunsheng; Yang, Shaorong; Wu, Wanqing; Jiang, Huanfeng","Palladium-catalyzed cascade reaction of haloalkynes with unactivated alkenes for assembly of functionalized oxetanes","Organic Chemistry Frontiers","2017","4","3","373","","10.1039/C6QO00633G","","x-ray","1.54184","CuKα","","0.0476","0.0446","","","0.1182","0.1209","","","","","","1.033","","","","has coordinates","235162","2020-10-21","18:00:00",""
"1553577","7.813","0.004","5.321","0.003","15.394","0.008","90","","91.594","0.008","90","","639.7","0.6","173.15","","173.15","","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C15 H15 Br O2 -","- C15 H15 Br O2 -","- C30 H30 Br2 O4 -","2","1","","Li, Jing; Li, Zequan; Zhang, Xun; Xu, Bing; Shi, Yian","Catalytic enantioselective bromohydroxylation of aryl olefins with flexible functionalities","Organic Chemistry Frontiers","2017","4","6","1084","","10.1039/C6QO00636A","","","0.71073","MoKα","","0.0582","0.0575","","","0.1494","0.1501","","","","","","1.071","","","","has coordinates","235164","2020-10-21","18:00:00",""
"1553578","5.651","0.002","16.364","0.007","38.4918","0.0016","90","","90","","90","","3559","2","173.15","","173.15","","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C11 H14 Br F O2 -","- C11 H14 Br F O2 -","- C132 H168 Br12 F12 O24 -","12","3","","Li, Jing; Li, Zequan; Zhang, Xun; Xu, Bing; Shi, Yian","Catalytic enantioselective bromohydroxylation of aryl olefins with flexible functionalities","Organic Chemistry Frontiers","2017","4","6","1084","","10.1039/C6QO00636A","","","0.71073","MoKα","","0.0824","0.0694","","","0.1075","0.1135","","","","","","1.159","","","","has coordinates","235164","2020-10-21","18:00:00",""
"1553579","10.248","0.006","14.634","0.007","11.146","0.005","90","","107.352","0.018","90","","1595.5","1.4","110","","110","","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C17 H12 B F2 N5 O -","- C17 H12 B F2 N5 O -","- C68 H48 B4 F8 N20 O4 -","4","0.5","","Barbon, Stephanie M.; Novoa, Samantha; Bender, Desiree; Groom, Hilary; Luyt, Leonard G.; Gilroy, Joe B.","Copper-assisted azide‒alkyne cycloaddition chemistry as a tool for the production of emissive boron difluoride 3-cyanoformazanates","Organic Chemistry Frontiers","2017","4","2","178","","10.1039/C6QO00640J","","","0.71073","MoKα","","0.077","0.0428","","","0.0962","0.1107","","","","","","1.037","","","","has coordinates,has disorder","235166","2020-10-21","18:00:00",""
"1553580","7.3184","0.0002","13.4865","0.0003","17.4149","0.0004","101.672","0.002","94.139","0.002","101.918","0.002","1635.33","0.07","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C16 H10 Br2 Cl F3 -","- C16 H10 Br2 Cl F3 -","- C64 H40 Br8 Cl4 F12 -","4","2","","Kazakova, Anna N.; Iakovenko, Roman O.; Boyarskaya, Irina A.; Ivanov, Alexander Yu.; Avdontceva, Margarita S.; Zolotarev, Andrei A.; Panikorovsky, Taras L.; Starova, Galina L.; Nenajdenko, Valentine G.; Vasilyev, Aleksander V.","Brominated CF3-allyl alcohols as multicentered electrophiles in TfOH promoted reactions with arenes","Organic Chemistry Frontiers","2017","4","2","255","","10.1039/C6QO00643D","","","1.54184","CuKα","","0.0611","0.0454","","","0.1445","0.1869","","","","","","1.067","","","","has coordinates","275434","2022-05-16","05:31:57",""
"1553581","7.8481","0.0005","10.5581","0.0007","12.2042","0.001","75.472","0.006","72.741","0.006","72.301","0.006","905.55","0.12","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C20 H20 Br F3 O -","- C20 H20 Br F3 O -","- C40 H40 Br2 F6 O2 -","2","1","","Kazakova, Anna N.; Iakovenko, Roman O.; Boyarskaya, Irina A.; Ivanov, Alexander Yu.; Avdontceva, Margarita S.; Zolotarev, Andrei A.; Panikorovsky, Taras L.; Starova, Galina L.; Nenajdenko, Valentine G.; Vasilyev, Aleksander V.","Brominated CF3-allyl alcohols as multicentered electrophiles in TfOH promoted reactions with arenes","Organic Chemistry Frontiers","2017","4","2","255","","10.1039/C6QO00643D","","","1.54184","CuKα","","0.0414","0.0388","","","0.1066","0.1098","","","","","","1.022","","","","has coordinates","235169","2020-10-21","18:00:00",""
"1553582","8.3533","0.0005","9.4941","0.0004","12.1934","0.0007","100.216","0.004","97.306","0.005","100.289","0.004","923.7","0.09","105","8","105","8","","","","","","","","5","P -1","-P 1","2","","","","- C20 H20 Br F3 O2 -","- C20 H20 Br F3 O2 -","- C40 H40 Br2 F6 O4 -","2","1","","Kazakova, Anna N.; Iakovenko, Roman O.; Boyarskaya, Irina A.; Ivanov, Alexander Yu.; Avdontceva, Margarita S.; Zolotarev, Andrei A.; Panikorovsky, Taras L.; Starova, Galina L.; Nenajdenko, Valentine G.; Vasilyev, Aleksander V.","Brominated CF3-allyl alcohols as multicentered electrophiles in TfOH promoted reactions with arenes","Organic Chemistry Frontiers","2017","4","2","255","","10.1039/C6QO00643D","","","0.7107","MoKα","","0.0345","0.0286","","","0.0627","0.0651","","","","","","1.048","","","","has coordinates","235169","2020-10-21","18:00:00",""
"1553583","16.4974","0.0002","6.84171","0.0001","28.6498","0.0003","90","","90","","90","","3233.72","0.07","100","2","100","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C18 H15 Br2 F3 -","- C18 H15 Br2 F3 -","- C144 H120 Br16 F24 -","8","1","","Kazakova, Anna N.; Iakovenko, Roman O.; Boyarskaya, Irina A.; Ivanov, Alexander Yu.; Avdontceva, Margarita S.; Zolotarev, Andrei A.; Panikorovsky, Taras L.; Starova, Galina L.; Nenajdenko, Valentine G.; Vasilyev, Aleksander V.","Brominated CF3-allyl alcohols as multicentered electrophiles in TfOH promoted reactions with arenes","Organic Chemistry Frontiers","2017","4","2","255","","10.1039/C6QO00643D","","","1.5418","CuKα","","0.0263","0.0232","","","0.0596","0.0612","","","","","","1.055","","","","has coordinates","235169","2020-10-21","18:00:00",""
"1553584","7.1399","0.0002","9.7404","0.0003","22.8361","0.0006","97.673","0.002","97.146","0.002","106.455","0.003","1487.32","0.08","100","2","100","2","","","","","","","","4","P -1","-P 1","2","","","","- C16 H11 Br2 F3 -","- C16 H11 Br2 F3 -","- C64 H44 Br8 F12 -","4","2","","Kazakova, Anna N.; Iakovenko, Roman O.; Boyarskaya, Irina A.; Ivanov, Alexander Yu.; Avdontceva, Margarita S.; Zolotarev, Andrei A.; Panikorovsky, Taras L.; Starova, Galina L.; Nenajdenko, Valentine G.; Vasilyev, Aleksander V.","Brominated CF3-allyl alcohols as multicentered electrophiles in TfOH promoted reactions with arenes","Organic Chemistry Frontiers","2017","4","2","255","","10.1039/C6QO00643D","","","1.54184","CuKα","","0.0498","0.0469","","","0.1234","0.1276","","","","","","1.057","","","","has coordinates","275434","2022-05-16","05:31:57",""
"1553585","22.8229","0.0015","7.4881","0.0004","16.5828","0.0011","90","","102.102","0.007","90","","2771","0.3","100","2","100","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C17 H12 Br F3 -","- C17 H12 Br F3 -","- C136 H96 Br8 F24 -","8","1","","Kazakova, Anna N.; Iakovenko, Roman O.; Boyarskaya, Irina A.; Ivanov, Alexander Yu.; Avdontceva, Margarita S.; Zolotarev, Andrei A.; Panikorovsky, Taras L.; Starova, Galina L.; Nenajdenko, Valentine G.; Vasilyev, Aleksander V.","Brominated CF3-allyl alcohols as multicentered electrophiles in TfOH promoted reactions with arenes","Organic Chemistry Frontiers","2017","4","2","255","","10.1039/C6QO00643D","","","1.54184","CuKα","","0.0498","0.0379","","","0.0933","0.1027","","","","","","1.044","","","","has coordinates","235169","2020-10-21","18:00:00",""
"1553586","8.2233","0.0003","22.8182","0.0007","10.0565","0.0003","90","","109.447","0.004","90","","1779.36","0.11","100","2","100","0.1","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C19 H17 Br Cl F3 -","- C19 H17 Br Cl F3 -","- C76 H68 Br4 Cl4 F12 -","4","1","","Kazakova, Anna N.; Iakovenko, Roman O.; Boyarskaya, Irina A.; Ivanov, Alexander Yu.; Avdontceva, Margarita S.; Zolotarev, Andrei A.; Panikorovsky, Taras L.; Starova, Galina L.; Nenajdenko, Valentine G.; Vasilyev, Aleksander V.","Brominated CF3-allyl alcohols as multicentered electrophiles in TfOH promoted reactions with arenes","Organic Chemistry Frontiers","2017","4","2","255","","10.1039/C6QO00643D","","","0.7107","MoKα","","0.0347","0.0266","","","0.0598","0.0631","","","","","","1.011","","","","has coordinates","235169","2020-10-21","18:00:00",""
"1553587","6.9379","0.0019","19.798","0.006","17.773","0.004","90","","90","","90","","2441.2","1.1","296","2","296","2","","","","","","","","5","C m c e","-C 2ac 2","64","","","","- C12 H11 I N2 O2 -","- C12 H11 I N2 O2 -","- C96 H88 I8 N16 O16 -","8","0.5","","He, Xin; Xu, Yi-zhu; Kong, Ling-xuan; Wu, Huan-huan; Ji, De-zhong; Wang, Zhi-bin; Xu, Yun-gen; Zhu, Qi-hua","Copper(i) and N-fluorobenzenesulfonimide-mediated direct regioselective halogenation of 8-amidoquinolines on the C5 position","Organic Chemistry Frontiers","2017","4","6","1046","","10.1039/C6QO00644B","","","0.71073","MoKα","","0.044","0.0379","","","0.0866","0.0901","","","","","","1.13","","","","has coordinates","235172","2020-10-21","18:00:00",""
"1553588","10.4263","0.0009","10.2668","0.0009","40.789","0.004","90","","90.6212","0.0014","90","","4366","0.7","193","2","193","2","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","3,3,3-tris(3,5-di-t-butyl)prop-1-yne, dichloromethane solvate","","- C46 H66 Cl2 -","- C45 H64 -","- C180 H256 -","4","1","","Prenzel, Dominik; Kirschbaum, Rolf W.; Chalifoux, Wesley A.; McDonald, Robert; Ferguson, Michael J.; Drewello, Thomas; Tykwinski, Rik R.","Polymerization of acetylene: polyynes, but not carbyne","Organic Chemistry Frontiers","2017","4","5","668","","10.1039/C6QO00648E","","","0.71073","MoKα","","0.0826","0.0607","","","0.1479","0.1593","","","","","","1.065","","","","has coordinates,has disorder","235174","2020-10-21","18:00:00",""
"1553589","10.3367","0.0013","10.4631","0.0013","19.275","0.002","88.5549","0.0018","78.0127","0.0018","88.5903","0.0019","2038.2","0.4","193","2","193","2","","","","","","","","2","P -1","-P 1","2","","5,5,5-tris(3,5-di-t-butylphenyl)penta-1,3-diyne","","- C47 H64 -","- C47 H64 -","- C94 H128 -","2","1","","Prenzel, Dominik; Kirschbaum, Rolf W.; Chalifoux, Wesley A.; McDonald, Robert; Ferguson, Michael J.; Drewello, Thomas; Tykwinski, Rik R.","Polymerization of acetylene: polyynes, but not carbyne","Organic Chemistry Frontiers","2017","4","5","668","","10.1039/C6QO00648E","","","0.71073","MoKα","","0.0692","0.0523","","","0.1344","0.1467","","","","","","1.031","","","","has coordinates,has disorder","235174","2020-10-21","18:00:00",""
"1553590","14.154","0.003","14.154","0.003","12.123","0.002","90","","90","","120","","2103.3","0.7","173","2","173","2","","","","","","","","2","P 3 1 c","P 3 -2c","159","","1,1,1-tris(3,5-di-t-butylphenyl)hepta-2,4,6-triyne","","- C49 H64 -","- C49 H64 -","- C98 H128 -","2","0.333333","","Prenzel, Dominik; Kirschbaum, Rolf W.; Chalifoux, Wesley A.; McDonald, Robert; Ferguson, Michael J.; Drewello, Thomas; Tykwinski, Rik R.","Polymerization of acetylene: polyynes, but not carbyne","Organic Chemistry Frontiers","2017","4","5","668","","10.1039/C6QO00648E","","","0.71073","MoKα","","0.072","0.0411","","","0.0776","0.0882","","","","","","1.035","","","","has coordinates","235174","2020-10-21","18:00:00",""
"1553591","7.858","0.003","26.656","0.008","8.984","0.003","90","","90.001","0.001","90","","1881.8","1.1","296.15","","296.15","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C20 H13 F7 N2 O -","- C20 H13 F7 N2 O -","- C80 H52 F28 N8 O4 -","4","1","","Xu, Jun; Qiao, Li; Ying, Beibei; Zhu, Xiaolei; Shen, Chao; Zhang, Pengfei","Transition-metal-free direct perfluoroalkylation of quinoline amides at C5 position through radical cross-coupling under mild conditions","Organic Chemistry Frontiers","2017","4","6","1116","","10.1039/C6QO00655H","","","0.71073","MoKα","","0.1144","0.0545","","","0.1328","0.1523","","","","","","0.887","","","","has coordinates","235177","2020-10-21","18:00:00",""
"1553592","14.2771","0.0002","14.228","0.0002","22.6224","0.0004","90","","99.427","0.001","90","","4533.33","0.12","296","2","296","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C44 H58 N2 Se2 Si4 -","- C44 H58 N2 Se2 Si4 -","- C176 H232 N8 Se8 Si16 -","4","1","","Xiong, Xiaodong; Deng, Chun-Lin; Li, Zhiming; Peng, Xiao-Shui; Wong, Henry N. C.","Quasi-planar diazadithio and diazodiseleno[8]circulenes: synthesis, structures and properties","Organic Chemistry Frontiers","2017","4","5","682","","10.1039/C6QO00662K","","","0.71073","MoKα","","0.1114","0.0471","","","0.094","0.1178","","","","","","1.01","","","","has coordinates","235179","2020-10-21","18:00:00",""
"1553593","14.2494","0.0006","14.1245","0.0006","22.4876","0.0009","90","","98.8","0.002","90","","4472.7","0.3","296","2","296","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C44 H58 N2 S2 Si4 -","- C44 H58 N2 S2 Si4 -","- C176 H232 N8 S8 Si16 -","4","1","","Xiong, Xiaodong; Deng, Chun-Lin; Li, Zhiming; Peng, Xiao-Shui; Wong, Henry N. C.","Quasi-planar diazadithio and diazodiseleno[8]circulenes: synthesis, structures and properties","Organic Chemistry Frontiers","2017","4","5","682","","10.1039/C6QO00662K","","","0.71073","MoKα","","0.0919","0.0569","","","0.148","0.1716","","","","","","1.023","","","","has coordinates","235179","2020-10-21","18:00:00",""
"1553594","10.8503","0.0005","12.4427","0.0005","12.9897","0.0005","100.306","0.002","91.28","0.002","108.652","0.002","1628.82","0.12","296","2","296","2","","","","","","","","4","P -1","-P 1","2","","","","- C32 H22 Br8 N2 -","- C32 H22 Br8 N2 -","- C64 H44 Br16 N4 -","2","1","","Xiong, Xiaodong; Deng, Chun-Lin; Li, Zhiming; Peng, Xiao-Shui; Wong, Henry N. C.","Quasi-planar diazadithio and diazodiseleno[8]circulenes: synthesis, structures and properties","Organic Chemistry Frontiers","2017","4","5","682","","10.1039/C6QO00662K","","","0.71073","MoKα","","0.0558","0.0405","","","0.099","0.1057","","","","","","1.028","","","","has coordinates,has disorder","235179","2020-10-21","18:00:00",""
"1553595","9.842","0.002","21.609","0.004","25.234","0.005","90","","91.32","0.03","90","","5365.2","1.8","173.15","","173.15","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C50 H52 N14 O4 -","- C50 H52 N14 O4 -","- C200 H208 N56 O16 -","4","1","","Zhang, Qian; Wang, Mei-Xiang","Synthesis of hydroxylated azacalix[1]arene[3]pyridines from hydrolysis of high valent arylcopper complexes and conversion to a double azacalix[1]arene[3]pyridine host molecule","Organic Chemistry Frontiers","2017","4","2","283","","10.1039/C6QO00669H","","","0.71073","MoKα","","0.1092","0.0942","","","0.2041","0.2128","","","","","","1.208","","","","has coordinates","235183","2020-10-21","18:00:00",""
"1553596","28.402","0.006","9.816","0.002","18.722","0.004","90","","90.7","0.03","90","","5219.2","1.9","173.15","","173.15","","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C54.83 H62.12 Cl1.76 N16.83 O2 -","- C54.824 H62.12 Cl1.764 N16.824 O2 -","- C219.296 H248.48 Cl7.056 N67.296 O8 -","4","0.5","","Zhang, Qian; Wang, Mei-Xiang","Synthesis of hydroxylated azacalix[1]arene[3]pyridines from hydrolysis of high valent arylcopper complexes and conversion to a double azacalix[1]arene[3]pyridine host molecule","Organic Chemistry Frontiers","2017","4","2","283","","10.1039/C6QO00669H","","","0.71073","MoKα","","0.087","0.0805","","","0.2196","0.2259","","","","","","1.088","","","","has coordinates,has disorder","235183","2020-10-21","18:00:00",""
"1553597","9.6636","0.0003","15.1098","0.0006","18.1939","0.0007","69.768","0.004","84.466","0.003","84.513","0.003","2475.53","0.17","150","0.1","150","0.1","","","","","","","","4","P -1","-P 1","2","","","","- C54 H60 N16 O2 -","- C54 H60 N16 O2 -","- C108 H120 N32 O4 -","2","1","","Zhang, Qian; Wang, Mei-Xiang","Synthesis of hydroxylated azacalix[1]arene[3]pyridines from hydrolysis of high valent arylcopper complexes and conversion to a double azacalix[1]arene[3]pyridine host molecule","Organic Chemistry Frontiers","2017","4","2","283","","10.1039/C6QO00669H","","x-ray","0.71073","MoKα","","0.0858","0.0575","","","0.1283","0.1452","","","","","","1.0409","","","","has coordinates","235183","2020-10-21","18:00:00",""
"1553598","7.5051","0.0007","8.6296","0.0007","11.6509","0.0011","73.729","0.005","77.669","0.004","77.532","0.006","697.78","0.11","200","2","200","2","","","","","","","","3","P -1","-P 1","2","","","","- C40 H24 S2 -","- C40 H24 S2 -","- C40 H24 S2 -","1","0.5","","Lo, Yuan-Chih; Ting, Hao-Chun; Li, Ya-Ze; Li, Yi-Hua; Liu, Shun-Wei; Huang, Kuo-Wei; Wong, Ken-Tsung","The synthesis, structure, and properties of 5,6,11,12-tetraarylindeno[1,2-b]fluorenes and their applications as donors for organic photovoltaic devices","Organic Chemistry Frontiers","2017","4","5","675","","10.1039/C6QO00673F","","","0.71073","MoKα","","0.1065","0.0617","","","0.1647","0.1884","","","","","","1.036","","","","has coordinates","235187","2020-10-21","18:00:00",""
"1553599","16.8864","0.0004","7.4906","0.0002","24.7447","0.0007","90","","90","","90","","3129.94","0.14","200","2","200","2","","","","","","","","2","P n a 21","P 2c -2n","33","","","","- C46 H32 -","- C46 H32 -","- C184 H128 -","4","1","","Lo, Yuan-Chih; Ting, Hao-Chun; Li, Ya-Ze; Li, Yi-Hua; Liu, Shun-Wei; Huang, Kuo-Wei; Wong, Ken-Tsung","The synthesis, structure, and properties of 5,6,11,12-tetraarylindeno[1,2-b]fluorenes and their applications as donors for organic photovoltaic devices","Organic Chemistry Frontiers","2017","4","5","675","","10.1039/C6QO00673F","","","0.71073","MoKα","","0.0692","0.0504","","","0.1175","0.1276","","","","","","1.019","","","","has coordinates","235187","2020-10-21","18:00:00",""
"1553600","7.597","0.0004","8.9994","0.0004","11.0344","0.0005","78.931","0.002","75.805","0.002","83.409","0.002","715.94","0.06","200","2","200","2","","","","","","","","2","P -1","-P 1","2","","","","- C44 H28 -","- C44 H28 -","- C44 H28 -","1","0.5","","Lo, Yuan-Chih; Ting, Hao-Chun; Li, Ya-Ze; Li, Yi-Hua; Liu, Shun-Wei; Huang, Kuo-Wei; Wong, Ken-Tsung","The synthesis, structure, and properties of 5,6,11,12-tetraarylindeno[1,2-b]fluorenes and their applications as donors for organic photovoltaic devices","Organic Chemistry Frontiers","2017","4","5","675","","10.1039/C6QO00673F","","","0.71073","MoKα","","0.0955","0.0504","","","0.1131","0.1326","","","","","","0.988","","","","has coordinates","235187","2020-10-21","18:00:00",""
"1553601","26.478","0.002","8.1615","0.0006","23.0582","0.0017","90","","96.411","0.003","90","","4951.7","0.6","296","2","296","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C26 H22 N4 O5 S -","- C26 H22 N4 O5 S -","- C208 H176 N32 O40 S8 -","8","1","","Chen, Dianpeng; Xing, Gangdong; Yao, Jinzhong; Zhou, Hongwei","Applicable β-sulfonium carbanions: facile construction of thiophene derivatives","Organic Chemistry Frontiers","2017","4","6","1042","","10.1039/C6QO00675B","","","0.71073","MoKα","","0.1002","0.055","","","0.1165","0.1398","","","","","","1.003","","","","has coordinates","235189","2020-10-21","18:00:00",""
"1553602","7.9629","0.0003","16.9905","0.0006","18.7808","0.0005","90","","90","","90","","2540.92","0.15","294.06","0.1","294.06","0.1","","","","","","","","5","P b c n","-P 2n 2ab","60","","","","- C12 H9 N O S3 -","- C12 H9 N O S3 -","- C96 H72 N8 O8 S24 -","8","1","","Chen, Qiao; Lei, Yingjie; Wang, Yanfang; Wang, Chao; Wang, Yanan; Xu, Zhaoqing; Wang, Huan; Wang, Rui","Direct thiocyanation of ketene dithioacetals under transition-metal-free conditions","Organic Chemistry Frontiers","2017","4","3","369","","10.1039/C6QO00676K","","x-ray","0.71073","MoKα","","0.0697","0.0482","","","0.1129","0.1301","","","","","","1.049","","","","has coordinates","277994","2022-09-20","08:32:41",""
"1553603","12.2302","0.0009","15.3106","0.0011","36.571","0.003","90","","90","","90","","6848","0.9","296","2","296","2","","","","","","","","8","P 21 21 21","P 2ac 2ab","19","","","","- C71 H46 B F24 Ir N O P -","- C71 H46 B F24 Ir N O P -","- C284 H184 B4 F96 Ir4 N4 O4 P4 -","4","1","","Wang, Qian; Zhang, Zongpeng; Chen, Caiyou; Yang, Hailong; Han, Zhengyu; Dong, Xiu-Qin; Zhang, Xumu","Iridium catalysts with modular axial-unfixed biphenyl phosphine‒oxazoline ligands: asymmetric hydrogenation of α,β-unsaturated carboxylic acids","Organic Chemistry Frontiers","2017","4","4","627","","10.1039/C6QO00677A","","","0.71073","MoKα","","0.0652","0.045","","","0.1009","0.1099","","","","","","1.007","","","","has coordinates","235193","2020-10-21","18:00:00",""
"1553604","11.1134","0.0005","21.1702","0.0009","9.8578","0.0004","90","","101.189","0.0013","90","","2275.19","0.17","100","2","100","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C26 H16 Cu N4 O8 -","- C26 H16 Cu N4 O8 -","- C104 H64 Cu4 N16 O32 -","4","1","","Baur, Andreas; Bustin, Katelyn A.; Aguilera, Ellen; Petersen, Jeffrey L.; Hoover, Jessica M.","Copper and silver benzoate and aryl complexes and their implications for oxidative decarboxylative coupling reactions","Organic Chemistry Frontiers","2017","4","4","519","","10.1039/C6QO00678G","","","0.71073","MoKα","","0.0616","0.037","","","0.078","0.0858","","","","","","1.053","","","","has coordinates","235195","2020-10-21","18:00:00",""
"1553605","8.269","0.003","9.296","0.004","16.904","0.007","90","","93.281","0.004","90","","1297.3","0.9","296","2","296","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C16 H11 N O3 -","- C16 H11 N O3 -","- C64 H44 N4 O12 -","4","1","","Fang, Xinxin; Gao, Shang; Wu, Zijun; Yao, Hequan; Lin, Aijun","Pd(ii)-Catalyzed oxidative dearomatization of indoles: substrate-controlled synthesis of indolines and indolones","Organic Chemistry Frontiers","2017","4","2","292","","10.1039/C6QO00698A","","","0.71073","MoKα","","0.0456","0.0372","","","0.0974","0.1039","","","","","","1.033","","","","has coordinates","235197","2020-10-21","18:00:00",""
"1553606","8.874","0.006","13.733","0.009","27.215","0.017","90","","90","","90","","3317","4","296","2","296","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C22 H15 N O2 -","- C22 H15 N O2 -","- C176 H120 N8 O16 -","8","1","","Fang, Xinxin; Gao, Shang; Wu, Zijun; Yao, Hequan; Lin, Aijun","Pd(ii)-Catalyzed oxidative dearomatization of indoles: substrate-controlled synthesis of indolines and indolones","Organic Chemistry Frontiers","2017","4","2","292","","10.1039/C6QO00698A","","","0.71073","MoKα","","0.0465","0.0354","","","0.0886","0.0962","","","","","","1.031","","","","has coordinates","235197","2020-10-21","18:00:00",""
"1553607","8.066","0.008","8.242","0.008","12.157","0.013","92.727","0.013","102.604","0.012","98.233","0.011","778","1.4","293","2","293","2","","","","","","","","4","P -1","-P 1","2","2-((3-benzoylisoxazol-5-yl)methyl)isoindoline-1,3-dione","","","- C19 H12 N2 O4 -","- C19 H12 N2 O4 -","- C38 H24 N4 O8 -","2","1","","Li, Yingying; Gao, Mingchun; Liu, Bingxin; Xu, Bin","Copper nitrate-mediated chemo- and regioselective annulation from two different alkynes: a direct route to isoxazoles","Organic Chemistry Frontiers","2017","4","3","445","","10.1039/C6QO00704J","","","0.71073","MoKα","","0.0515","0.039","","","0.0985","0.1077","","","","","","1.086","","","","has coordinates","235199","2020-10-21","18:00:00",""
"1553608","9.4574","0.0007","9.9936","0.0009","14.0156","0.0013","89.023","0.007","76.071","0.007","71.074","0.008","1213.5","0.2","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C H F N O -","- C10.4 H12.4 F0.8 N0.4 O1.2 -","- C52 H62 F4 N2 O6 -","5","2.5","","Xu, Jian; Song, Qiuling","Synthesis of fully-substituted 1,2,3-triazoles via copper(i)-catalyzed three-component coupling of sulfoximines, alkynes and azides","Organic Chemistry Frontiers","2017","4","6","938","","10.1039/C6QO00725B","","x-ray","0.71073","MoKα","","0.0814","0.0532","","","0.1352","0.156","","","","","","1.031","","","","has coordinates","235201","2020-10-21","18:00:00",""
"1553609","9.7469","0.0007","13.1171","0.0008","17.5212","0.0012","70.806","0.008","75.292","0.008","73.524","0.008","1996.5","0.3","113","2","113","2","","","","","","","","3","P -1","-P 1","2","","","","- C41 H40 O11 -","- C41 H40 O11 -","- C82 H80 O22 -","2","1","","Lu, Kui; Yang, Ke; Jia, Xiaoliang; Gao, Xing; Zhao, Xia; Pan, Guojun; Ma, Yantao; Huang, Qiyao; Yu, Peng","Total synthesis of I3,II8-biapigenin and ridiculuflavone A","Organic Chemistry Frontiers","2017","4","4","578","","10.1039/C6QO00726K","","","0.71073","MoKα","","0.0639","0.0482","","","0.1461","0.1549","","","","","","1.092","","","","has coordinates","235203","2020-10-21","18:00:00",""
"1553610","15.1534","0.001","15.8118","0.001","17.7296","0.001","68.774","0.004","76.898","0.005","79.352","0.005","3832","0.4","113","2","113","2","","","","","","","","3","P -1","-P 1","2","","","","- C43 H46 O11 -","- C43 H46 O11 -","- C172 H184 O44 -","4","2","","Lu, Kui; Yang, Ke; Jia, Xiaoliang; Gao, Xing; Zhao, Xia; Pan, Guojun; Ma, Yantao; Huang, Qiyao; Yu, Peng","Total synthesis of I3,II8-biapigenin and ridiculuflavone A","Organic Chemistry Frontiers","2017","4","4","578","","10.1039/C6QO00726K","","","0.71073","MoKα","","0.0567","0.0442","","","0.1178","0.1244","","","","","","1.058","","","","has coordinates","235203","2020-10-21","18:00:00",""
"1553611","9.9046","0.0013","10.4946","0.0012","23.736","0.003","90","","90","","90","","2467.2","0.5","297","2","297","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C31 H23 Cl0 N O4 -","- C31 H23 N O4 -","- C124 H92 N4 O16 -","4","1","","Xu, Junyu; Cao, Jing; Fang, Chao; Lu, Tao; Du, Ding","Organocatalytic C‒C bond activation of cyclopropenones for ring-opening formal [3 + 2] cycloaddition with isatins","Organic Chemistry Frontiers","2017","4","4","560","","10.1039/C6QO00734A","","","0.71073","MoKα","","0.1682","0.0492","","","0.0947","0.1414","","","","","","0.943","","","","has coordinates","235205","2020-10-21","18:00:00",""
"1553612","9.263","0.0019","16.211","0.003","15.413","0.003","90","","91.21","0.03","90","","2313.9","0.8","293","2","293","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C30 H21 N O3 -","- C30 H21 N O3 -","- C120 H84 N4 O12 -","4","1","","Xu, Junyu; Cao, Jing; Fang, Chao; Lu, Tao; Du, Ding","Organocatalytic C‒C bond activation of cyclopropenones for ring-opening formal [3 + 2] cycloaddition with isatins","Organic Chemistry Frontiers","2017","4","4","560","","10.1039/C6QO00734A","","","0.71073","MoKα","","0.144","0.0673","","","0.155","0.1945","","","","","","1","","","","has coordinates","235205","2020-10-21","18:00:00",""
"1553613","12.3342","0.0005","12.422","0.0005","20.4886","0.0009","94.35","0.003","97.642","0.003","100.981","0.003","3037.8","0.2","296","2","296","2","","","","","","","","4","P -1","-P 1","2","","","","- C38.5 H33 Cl O3 -","- C38.5 H33 Cl O3 -","- C154 H132 Cl4 O12 -","4","2","","Zhang, Yuexia; Wu, Xingxing; Hao, Lin; Wong, Zeng Rong; Lauw, Sherman J. L.; Yang, Song; Webster, Richard D.; Chi, Yonggui Robin","Trimerization of enones under air enabled by NHC/NaOtBu via a SET radical pathway","Organic Chemistry Frontiers","2017","4","3","467","","10.1039/C6QO00738D","","","0.71073","MoKα","","0.1569","0.0817","","","0.1959","0.2444","","","","","","1.021","","","","has coordinates,has disorder","279649","2022-11-30","18:17:27",""
"1553614","9.077","0.004","10.4","0.004","11.75","0.005","90","","90","","90","","1109.2","0.8","173.15","","173.15","","","","","","","","","4","P n a 21","P 2c -2n","33","","","","- C13 H12 N2 O -","- C13 H12 N2 O -","- C52 H48 N8 O4 -","4","1","","Guo, Wei-Si; Wang, Yuan-Chao; Dou, Qian; Wen, Li-Rong; Li, Ming","A copper-catalyzed arylation/nucleophilic addition/fragmentation/C‒S bond formation cascade: synthesis of bis(arylthio)imines","Organic Chemistry Frontiers","2017","4","4","510","","10.1039/C6QO00739B","","","0.71073","MoKα","","0.0383","0.0374","","","0.1194","0.1208","","","","","","1.013","","","","has coordinates","235209","2020-10-21","18:00:00",""
"1553615","8.189","0.002","14.782","0.004","17.421","0.005","90","","90","","90","","2108.8","1","173.15","","173.15","","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C23 H19 N O2 S2 -","- C23 H19 N O2 S2 -","- C92 H76 N4 O8 S8 -","4","1","","Guo, Wei-Si; Wang, Yuan-Chao; Dou, Qian; Wen, Li-Rong; Li, Ming","A copper-catalyzed arylation/nucleophilic addition/fragmentation/C‒S bond formation cascade: synthesis of bis(arylthio)imines","Organic Chemistry Frontiers","2017","4","4","510","","10.1039/C6QO00739B","","","0.71073","MoKα","","0.0577","0.052","","","0.0937","0.0959","","","","","","1.15","","","","has coordinates","235209","2020-10-21","18:00:00",""
"1553616","10.5479","0.0013","16.6","0.002","13.9079","0.0017","90","","92.242","0.002","90","","2433.3","0.5","296","2","296","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C22 H24 S4 Si2 -","- C22 H24 S4 Si2 -","- C88 H96 S16 Si8 -","4","1","","Li, Lu; Li, Bingbing; Li, Chunli; Ma, Zhiying; Xu, Li; Wang, Hua","Selective deprotonation of tetra[3,4]thienylene in the presence of n-BuLi","Organic Chemistry Frontiers","2017","4","6","1019","","10.1039/C6QO00754F","","","0.71073","MoKα","","0.0597","0.0447","","","0.1207","0.1333","","","","","","1.046","","","","has coordinates","235211","2020-10-21","18:00:00",""
"1553617","20.763","0.003","20.763","0.003","13.7545","0.0018","90","","90","","90","","5929.6","1.4","296","2","296.15","","","","","","","","","6","I 41/a :2","-I 4ad","88","","","","- C44 H72 Li4 O4 S4 Si4 -","- C44 H72 Li4 O4 S4 Si4 -","- C176 H288 Li16 O16 S16 Si16 -","4","0.25","","Li, Lu; Li, Bingbing; Li, Chunli; Ma, Zhiying; Xu, Li; Wang, Hua","Selective deprotonation of tetra[3,4]thienylene in the presence of n-BuLi","Organic Chemistry Frontiers","2017","4","6","1019","","10.1039/C6QO00754F","","","0.71073","MoKα","","0.1222","0.0831","","","0.2424","0.2973","","","","","","1.024","","","","has coordinates","235211","2020-10-21","18:00:00",""
"1553618","5.7832","0.0006","10.4921","0.0011","12.3215","0.0012","90.576","0.003","97.913","0.002","93.157","0.003","739.28","0.13","296","2","296","2","","","","","","","","4","P -1","-P 1","2","","","","- C17 H17 N O4 -","- C17 H17 N O4 -","- C34 H34 N2 O8 -","2","1","","Chen, Hui; Lin, Cong; Xiong, Chunhua; Liu, Zhanxiang; Zhang, Yuhong","One-pot synthesis of fluorescent 2,4-dialkenylindoles by rhodium-catalyzed dual C‒H functionalization","Organic Chemistry Frontiers","2017","4","3","455","","10.1039/C6QO00755D","","","0.71073","MoKα","","0.1123","0.0541","","","0.1153","0.1708","","","","","","1.002","","","","has coordinates","235213","2020-10-21","18:00:00",""
"1553619","13.585","0.004","12.569","0.003","9.741","0.003","90","","106.741","0.006","90","","1592.8","0.8","293","2","293","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C21 H17 F O -","- C21 H17 F O -","- C84 H68 F4 O4 -","4","1","","Cao, Tongxiang; Chen, Kai; Zhu, Shifa","An efficient approach to generate aryl carbenes: gold-catalyzed sequential activation of 1,6-diynes","Organic Chemistry Frontiers","2017","4","3","450","","10.1039/C6QO00769D","","","0.71073","MoKα","","0.1216","0.0562","","","0.1286","0.1552","","","","","","0.984","","","","has coordinates","235215","2020-10-21","18:00:00",""
"1553620","12.3103","0.0016","20.299","0.003","6.9248","0.0009","90","","95.884","0.003","90","","1721.3","0.4","130","","130","","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C23 H26 O -","- C23 H26 O -","- C92 H104 O4 -","4","1","","Cao, Tongxiang; Chen, Kai; Zhu, Shifa","An efficient approach to generate aryl carbenes: gold-catalyzed sequential activation of 1,6-diynes","Organic Chemistry Frontiers","2017","4","3","450","","10.1039/C6QO00769D","","","0.71073","MoKα","","0.0754","0.0487","","","0.1184","0.133","","","","","","1.023","","","","has coordinates","235215","2020-10-21","18:00:00",""
"1553621","12.4994","0.0013","13.1859","0.0014","16.0253","0.0017","102.651","0.005","95.439","0.006","92.29","0.006","2560.5","0.5","180","2","180","2","","","","","","","","5","P -1","-P 1","2","","","","- C60 H28 F20 N6 O2 -","- C60 H28 F20 N6 O2 -","- C120 H56 F40 N12 O4 -","2","1","","Almeida, José; Aguiar, António; Leite, Andreia; Silva, André M. N.; Cunha-Silva, Luís; de Castro, Baltazar; Rangel, Maria; Barone, Giampaolo; Tomé, Augusto C.; Silva, Ana M. G.","1,3-Dipolar cycloadditions with meso-tetraarylchlorins ‒ site selectivity and mixed bisadducts","Organic Chemistry Frontiers","2017","4","4","534","","10.1039/C6QO00771F","","","0.71073","MoKα","","0.1877","0.1387","","","0.4059","0.434","","","","","","1.614","","","","has coordinates","235216","2020-10-21","18:00:00",""
"1553622","15.6516","0.0005","14.7041","0.0004","20.8303","0.0006","90","","90","","90","","4793.9","0.2","180","","180","","","","101","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C23 H30 N4 O2 Si -","- C23 H30 N4 O2 Si -","- C184 H240 N32 O16 Si8 -","8","1","","Morozova, Maria A.; Yusubov, Mekhman S.; Kratochvil, Bohumil; Eigner, Václav; Bondarev, Alexander A.; Yoshimura, Akira; Saito, Akio; Zhdankin, Viktor V.; Trusova, Marina E.; Postnikov, Pavel S.","Regioselective Zn(OAc)2-catalyzed azide‒alkyne cycloaddition in water: the green click-chemistry","Organic Chemistry Frontiers","2017","4","6","978","","10.1039/C6QO00787B","","","0.71073","MoKα","","0.048","0.0389","","0.1007","0.0942","0.1005","","","","","","1.0233","","","","has coordinates","235218","2020-10-21","18:00:00",""
"1553623","9.4684","0.0003","10.4692","0.0004","12.771","0.0004","96.2634","0.0012","95.7478","0.0012","113.644","0.0011","1138.27","0.07","180","","180","","","","101","","","","","5","P -1","-P 1","2","","","","- C20 H21 N5 O2 Si -","- C20 H21 N5 O2 Si -","- C40 H42 N10 O4 Si2 -","2","1","","Morozova, Maria A.; Yusubov, Mekhman S.; Kratochvil, Bohumil; Eigner, Václav; Bondarev, Alexander A.; Yoshimura, Akira; Saito, Akio; Zhdankin, Viktor V.; Trusova, Marina E.; Postnikov, Pavel S.","Regioselective Zn(OAc)2-catalyzed azide‒alkyne cycloaddition in water: the green click-chemistry","Organic Chemistry Frontiers","2017","4","6","978","","10.1039/C6QO00787B","","","1.54178","CuKα","","0.0524","0.0469","","0.1317","0.1269","0.1317","","","","","","1.0042","","","","has coordinates","235218","2020-10-21","18:00:00",""
"1553624","16.2913","0.0007","10.0932","0.0004","19.7897","0.0008","90","","112.895","0.0012","90","","2997.7","0.2","180","","180","","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C14 H8 Br3 N3 -","- C14 H8 Br3 N3 -","- C112 H64 Br24 N24 -","8","2","","Morozova, Maria A.; Yusubov, Mekhman S.; Kratochvil, Bohumil; Eigner, Václav; Bondarev, Alexander A.; Yoshimura, Akira; Saito, Akio; Zhdankin, Viktor V.; Trusova, Marina E.; Postnikov, Pavel S.","Regioselective Zn(OAc)2-catalyzed azide‒alkyne cycloaddition in water: the green click-chemistry","Organic Chemistry Frontiers","2017","4","6","978","","10.1039/C6QO00787B","","","0.71073","MoKα","","0.0659","0.0374","","0.0956","0.0746","0.0956","","","","","","0.9177","","","","has coordinates","235218","2020-10-21","18:00:00",""
"1553625","8.9462","0.0005","11.9145","0.0006","43.549","0.002","90","","90","","90","","4641.9","0.4","180","","180","","","","101","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C21 H34 N4 O2 Si -","- C21 H34 N4 O2 Si -","- C168 H272 N32 O16 Si8 -","8","1","","Morozova, Maria A.; Yusubov, Mekhman S.; Kratochvil, Bohumil; Eigner, Václav; Bondarev, Alexander A.; Yoshimura, Akira; Saito, Akio; Zhdankin, Viktor V.; Trusova, Marina E.; Postnikov, Pavel S.","Regioselective Zn(OAc)2-catalyzed azide‒alkyne cycloaddition in water: the green click-chemistry","Organic Chemistry Frontiers","2017","4","6","978","","10.1039/C6QO00787B","","","1.54178","CuKα","","0.0668","0.0577","","0.1162","0.1136","0.1162","","","","","","0.9617","","","","has coordinates","235218","2020-10-21","18:00:00",""
"1553626","11.9761","0.0003","15.4866","0.0004","11.0055","0.0003","90","","106.167","0.001","90","","1960.46","0.09","296","2","296","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C25 H20 O4 -","- C25 H20 O4 -","- C100 H80 O16 -","4","1","","Mao, Wenbin; Zhu, Chen","Efficient synthesis of multiply substituted butenolides from keto acids and terminal alkynes promoted by combined acids","Organic Chemistry Frontiers","2017","4","6","1029","","10.1039/C6QO00820H","","","0.71073","MoKα","","0.0815","0.0435","","","0.1177","0.1338","","","","","","1.066","","","","has coordinates","235220","2020-10-21","18:00:00",""
"1553627","8.8576","0.0007","9.515","0.0007","15.8743","0.0012","79.571","0.002","74.479","0.002","86.413","0.002","1267.66","0.17","296","2","296","2","","","","","","","","4","P -1","-P 1","2","","","","- C35 H18 Fe O4 -","- C35 H18 Fe O4 -","- C70 H36 Fe2 O8 -","2","1","","Cheung, Kwan Yin; Yang, Shuaijun; Miao, Qian","From tetrabenzoheptafulvalene to sp2 carbon nano-rings","Organic Chemistry Frontiers","2017","4","5","699","","10.1039/C6QO00828C","","","0.71073","MoKα","","0.0571","0.0504","","","0.1402","0.1485","","","","","","1.058","","","","has coordinates","235222","2020-10-21","18:00:00",""
"1553628","12.737","0.003","10.827","0.003","15.738","0.004","90","","105.708","0.006","90","","2089.3","0.9","296","2","296","2","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","","","- C32 H18 O -","- C32 H18 O -","- C128 H72 O4 -","4","1","","Cheung, Kwan Yin; Yang, Shuaijun; Miao, Qian","From tetrabenzoheptafulvalene to sp2 carbon nano-rings","Organic Chemistry Frontiers","2017","4","5","699","","10.1039/C6QO00828C","","","0.71073","MoKα","","0.1793","0.0997","","","0.2401","0.2908","","","","","","1.04","","","","has coordinates","235222","2020-10-21","18:00:00",""
"1553629","10.5417","0.0004","14.8356","0.0005","24.1274","0.0008","90","","90","","90","","3773.3","0.2","296","2","296","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C51 H29 Cl3 O4 -","- C51 H29 Cl3 O4 -","- C204 H116 Cl12 O16 -","4","1","","Cheung, Kwan Yin; Yang, Shuaijun; Miao, Qian","From tetrabenzoheptafulvalene to sp2 carbon nano-rings","Organic Chemistry Frontiers","2017","4","5","699","","10.1039/C6QO00828C","","","1.54178","CuKα","","0.0909","0.0536","","","0.1126","0.131","","","","","","1.023","","","","has coordinates","235222","2020-10-21","18:00:00",""
"1553630","12.3541","0.0003","20.5251","0.0006","15.593","0.0004","90","","111.562","0.0016","90","","3677.21","0.17","296","2","296","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C51 H30 Cl2 O -","- C51 H30 Cl2 O -","- C204 H120 Cl8 O4 -","4","1","","Cheung, Kwan Yin; Yang, Shuaijun; Miao, Qian","From tetrabenzoheptafulvalene to sp2 carbon nano-rings","Organic Chemistry Frontiers","2017","4","5","699","","10.1039/C6QO00828C","","","0.71073","MoKα","","0.1194","0.0675","","","0.1717","0.2047","","","","","","1.017","","","","has coordinates","235222","2020-10-21","18:00:00",""
"1553631","12.2233","0.0002","20.4397","0.0003","15.612","0.0002","90","","111.759","0.0009","90","","3622.59","0.09","296","2","296","2","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","","","- C51 H30 Cl2 -","- C51 H30 Cl2 -","- C204 H120 Cl8 -","4","1","","Cheung, Kwan Yin; Yang, Shuaijun; Miao, Qian","From tetrabenzoheptafulvalene to sp2 carbon nano-rings","Organic Chemistry Frontiers","2017","4","5","699","","10.1039/C6QO00828C","","","0.71073","MoKα","","0.0755","0.0569","","","0.1481","0.165","","","","","","1.007","","","","has coordinates","235222","2020-10-21","18:00:00",""
"1553632","8.8208","0.0003","12.857","0.0004","18.1141","0.0005","90","","90","","90","","2054.3","0.11","296","2","296","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C20 H19 Br N2 O5 S -","- C20 H19 Br N2 O5 S -","- C80 H76 Br4 N8 O20 S4 -","4","1","","Yu, Lu; Cheng, Yuyu; Qi, Fei; Li, Rou; Li, Pengfei","Organocatalytic regioselective, diastereoselective, and enantioselective annulation of cyclic 1-azadienes with γ-nitro ketones via 3,4-cyclization","Organic Chemistry Frontiers","2017","4","7","1336","","10.1039/C6QO00832A","","","0.71073","MoKα","","0.1259","0.0514","","","0.0608","0.0689","","","","","","0.994","","","","has coordinates","235224","2020-10-21","18:00:00",""
"1553633","5.768","0.002","9.924","0.004","20.463","0.007","100.063","0.004","91.086","0.004","92.46","0.004","1151.8","0.7","298","","298","","","","","","","","","3","P -1","-P 1","2","","","","- C29 H25 N3 -","- C29 H25 N3 -","- C58 H50 N6 -","2","1","","Zhao, Fen; Liu, Yaowen; Yang, Shu; Xie, Kai; Jiang, Yubo","Pd-catalyzed selective N(3)-ortho C‒H arylation of 1,4-disubstituted 1,2,3-triazoles","Organic Chemistry Frontiers","2017","4","6","1112","","10.1039/C6QO00834H","","","0.71073","MoKα","","0.0692","0.0457","","","0.1142","0.129","","","","","","1.025","","","","has coordinates,has disorder","235226","2020-10-21","18:00:00",""
"1553634","16.003","0.005","7.036","0.002","16.456","0.005","90","","101.876","0.004","90","","1813.2","0.9","293","2","293","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C21 H15 Br2 N O2 -","- C21 H15 Br2 N O2 -","- C84 H60 Br8 N4 O8 -","4","1","","Qiu, Guanyinsheng; Li, Yuewen; Ma, Lele; Zhou, Hongwei","KBr/K2S2O8-mediated dibromohydration of N-(2-alkynylaryl)acetamide","Organic Chemistry Frontiers","2017","4","6","1069","","10.1039/C6QO00840B","","","0.71073","MoKα","","0.0404","0.0328","","","0.0954","0.0996","","","","","","1.069","","","","has coordinates","235228","2020-10-21","18:00:00",""
"1553635","15.552","0.005","9.109","0.003","20","0.006","90","","111.508","0.005","90","","2636","1.5","130","","130","","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C33 H31 N O3 -","- C33 H31 N O3 -","- C132 H124 N4 O12 -","4","1","","Liu, Feng; Tian, Jiaxin; Liu, Yong; Tao, Chuangan; Zhu, Hao; Zhang, Aina; Xu, Dongfang; Zhao, Baoguo","Decarboxylative Umpolung of conjugated enals to β-carbanions for intramolecular nucleophilic addition to an aldehyde","Organic Chemistry Frontiers","2017","4","8","1586","","10.1039/C6QO00846A","","","0.71073","MoKα","","0.1011","0.0555","","","0.1276","0.1513","","","","","","0.997","","","","has coordinates","235230","2020-10-21","18:00:00",""
"1553636","7.7445","0.0012","13.971","0.002","19.15","0.003","90","","90","","90","","2072","0.5","153","2","153","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","(2'R,3'R,4'R)-4'-benzoyl-1-methyl-3'-phenyl-5'-thioxospiro[indoline-3,2'-pyrrolidin]-2-one","","- C25 H20 N2 O2 S -","- C25 H20 N2 O2 S -","- C100 H80 N8 O8 S4 -","4","1","","Lin, Ye; Liu, Lei; Du, Da-Ming","Squaramide-catalyzed asymmetric Michael/cyclization cascade reaction of 3-isothiocyanato oxindoles with chalcones for synthesis of pyrrolidinyl spirooxindoles","Organic Chemistry Frontiers","2017","4","7","1229","","10.1039/C6QO00852F","","","0.71073","MoKα","","0.0394","0.0361","","","0.0806","0.0827","","","","","","1.001","","","","has coordinates","235233","2020-10-21","18:00:00",""
"1553637","8.4855","0.0004","15.887","0.0007","25.5299","0.0013","90","","90","","90","","3441.7","0.3","100","0.2","100","0.2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C16 H21 N3 O5 -","- C16 H21 N3 O5 -","- C128 H168 N24 O40 -","8","2","","Deng, Tao; Thota, Ganesh Kumar; Li, Yi; Kang, Qiang","Enantioselective conjugate addition of hydroxylamines to α,β-unsaturated 2-acyl imidazoles catalyzed by a chiral-at-metal Rh(iii) complex","Organic Chemistry Frontiers","2017","4","4","573","","10.1039/C6QO00865H","","","1.54184","CuKα","","0.0489","0.0384","","","0.0804","0.0857","","","","","","1.003","","","","has coordinates","235235","2020-10-21","18:00:00",""
"1553638","11.882","0.002","6.1567","0.0013","22.083","0.004","90","","99.617","0.015","90","","1592.8","0.5","273","2","273","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C36 H40 N2 O4 -","- C36 H40 N2 O4 -","- C72 H80 N4 O8 -","2","0.5","","Purc, Anna; Koszarna, Beata; Iachina, Irina; Friese, Daniel H.; Tasior, Mariusz; Sobczyk, Krzysztof; Pędziński, Tomasz; Brewer, Jonathan; Gryko, Daniel T.","The impact of interplay between electronic and steric effects on the synthesis and the linear and non-linear optical properties of diketopyrrolopyrrole bearing benzofuran moieties","Organic Chemistry Frontiers","2017","4","5","724","","10.1039/C6QO00869K","","","1.54178","CuKα","","0.1821","0.0736","","","0.1614","0.1933","","","","","","0.938","","","","has coordinates","235236","2020-10-21","18:00:00",""
"1553639","20.477","0.0009","5.2589","0.0002","28.0402","0.0012","90","","101.007","0.0019","90","","2964","0.2","100","2","100","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C32 H38 N2 O2 S3 -","- C32.4 H37.76 N2 O2 S2.908 -","- C129.6 H151.04 N8 O8 S11.632 -","4","1","","Chen, Wangqiao; Nakano, Masahiro; Takimiya, Kazuo; Zhang, Qichun","Selective thionation of naphtho[2,3-b]thiophene diimide: tuning of the optoelectronic properties and packing structure","Organic Chemistry Frontiers","2017","4","5","704","","10.1039/C6QO00871B","","","1.54187","CuKα","","0.1155","0.0889","","","0.2224","0.2399","","","","","","1.277","","","","has coordinates,has disorder","235238","2020-10-21","18:00:00",""
"1553643","29.3374","0.0007","29.3374","0.0007","29.3374","0.0007","90","","90","","90","","25250.2","1","100","","100.05","","","","","","","","","6","F -4 3 c","F -4a 2 3","219","","","","- C27 H33 B2 F11 Fe N6 -","- C27 H33 B2 F10.9999 Fe N6 -","- C864 H1056 B64 F351.997 Fe32 N192 -","32","0.333333","","Thorarinsdottir, Agnes E.; Gaudette, Alexandra I.; Harris, T. David","Spin-crossover and high-spin iron(ii) complexes as chemical shift <sup>19</sup>F magnetic resonance thermometers.","Chemical science","2017","8","3","2448","2456","10.1039/c6sc04287b","","x-ray","0.71073","MoKα","","0.0572","0.0486","","","0.1456","0.1548","","","","","","1.049","","","","has coordinates","235361","2020-10-21","18:00:00",""
"1553644","11.4603","0.0007","14.9231","0.0008","18.6992","0.0011","110.254","0.003","106.434","0.003","91.133","0.003","2853","0.3","100","","100.02","","","","","","","","","6","P -1","-P 1","2","","","","- C26 H31.5 B2 F10 Fe N6.5 -","- C26 H31.5 B2 F10 Fe N6.5 -","- C104 H126 B8 F40 Fe4 N26 -","4","2","","Thorarinsdottir, Agnes E.; Gaudette, Alexandra I.; Harris, T. David","Spin-crossover and high-spin iron(ii) complexes as chemical shift <sup>19</sup>F magnetic resonance thermometers.","Chemical science","2017","8","3","2448","2456","10.1039/c6sc04287b","","","0.71073","MoKα","","0.0527","0.0448","","","0.1107","0.1153","","","","","","1.059","","","","has coordinates,has disorder","235370","2020-10-21","18:00:00",""
"1553645","13.6092","0.0004","14.5112","0.0004","14.1222","0.0004","90","","90.875","0.001","90","","2788.61","0.14","100","","99.87","","","","","","","","","6","P 1 c 1","P -2yc","7","","","","- C25 H30 B2 F10 N6 Zn -","- C24.9995 H29.9985 B2 F10.0005 N6 Zn -","- C99.998 H119.994 B8 F40.002 N24 Zn4 -","4","2","","Thorarinsdottir, Agnes E.; Gaudette, Alexandra I.; Harris, T. David","Spin-crossover and high-spin iron(ii) complexes as chemical shift <sup>19</sup>F magnetic resonance thermometers.","Chemical science","2017","8","3","2448","2456","10.1039/c6sc04287b","","","0.71073","MoKα","","0.0511","0.0429","","","0.1042","0.1088","","","","","","1.025","","","","has coordinates,has disorder","235370","2020-10-21","18:00:00",""
"1553646","16.8376","0.0005","16.8376","0.0005","7.8829","0.0003","90","","90","","120","","1935.43","0.11","100","","100.08","","","","","","","","","6","P 3","P 3","143","","","","- C24 H27 B2 F11 Fe N6 -","- C24 H27 B2 F11 Fe N6 -","- C72 H81 B6 F33 Fe3 N18 -","3","1","","Thorarinsdottir, Agnes E.; Gaudette, Alexandra I.; Harris, T. David","Spin-crossover and high-spin iron(ii) complexes as chemical shift <sup>19</sup>F magnetic resonance thermometers.","Chemical science","2017","8","3","2448","2456","10.1039/c6sc04287b","","","0.71073","MoKα","","0.0375","0.0365","","","0.0948","0.0958","","","","","","1.026","","","","has coordinates,has disorder","235370","2020-10-21","18:00:00",""
"1553647","29.282","0.0008","29.282","0.0008","29.282","0.0008","90","","90","","90","","25107.4","1.2","100","","100.08","","","","","","","","","6","F -4 3 c","F -4a 2 3","219","","","","- C27 H33 B2 F11 N6 Zn -","- C27 H33 B2 F10.9999 N6 Zn -","- C864 H1056 B64 F351.997 N192 Zn32 -","32","0.333333","","Thorarinsdottir, Agnes E.; Gaudette, Alexandra I.; Harris, T. David","Spin-crossover and high-spin iron(ii) complexes as chemical shift <sup>19</sup>F magnetic resonance thermometers.","Chemical science","2017","8","3","2448","2456","10.1039/c6sc04287b","","","0.71073","MoKα","","0.0382","0.0355","","","0.1002","0.103","","","","","","1.073","","","","has coordinates","235370","2020-10-21","18:00:00",""
"1553648","7.0187","0.0004","7.0187","","7.5098","0.0005","90","","90","","90","","369.95","0.03","298","","298","","","","","","","","","7","P 4/m m m","-P 4 2","123","SIFSIX-3-Ni","SIFSIX-3-Ni","","- C8 H8 F6 N4 Ni Si Xe0.34 -","- C8 H8 F6 N4 Ni Si Xe0.3438 -","- C8 H8 F6 N4 Ni Si Xe0.3438 -","1","0.0625","","Elsaidi, Sameh K.; Mohamed, Mona H.; Simon, Cory M.; Braun, Efrem; Pham, Tony; Forrest, Katherine A.; Xu, Wenqian; Banerjee, Debasis; Space, Brian; Zaworotko, Michael J.; Thallapally, Praveen K.","Effect of ring rotation upon gas adsorption in SIFSIX-3-M (M = Fe, Ni) pillared square grid networks.","Chemical science","2017","8","3","2373","2380","10.1039/c6sc05012c","powder diffraction","x-ray","0.72768","synchrotron","","","","","","","","0.05565","","4.07","","","","","","","has coordinates","235373","2020-10-21","18:00:00",""
"1553649","7.00122","0.00019","7.00122","","7.49794","0.00021","90","","90","","90","","367.527","0.014","298","","298","","","","","","","","","6","P 4/m m m","-P 4 2","123","SIFSIX-3-Ni","SIFSIX-3-Ni","","- C8 H8 F6 N4 Ni Si -","- C8 H8 F6 N4 Ni Si -","- C8 H8 F6 N4 Ni Si -","1","0.0625","","Elsaidi, Sameh K.; Mohamed, Mona H.; Simon, Cory M.; Braun, Efrem; Pham, Tony; Forrest, Katherine A.; Xu, Wenqian; Banerjee, Debasis; Space, Brian; Zaworotko, Michael J.; Thallapally, Praveen K.","Effect of ring rotation upon gas adsorption in SIFSIX-3-M (M = Fe, Ni) pillared square grid networks.","Chemical science","2017","8","3","2373","2380","10.1039/c6sc05012c","powder diffraction","x-ray","0.72768","synchrotron","","","","","","","","0.03824","","4.12","","","","","","","has coordinates","235373","2020-10-21","18:00:00",""
"1553650","6.99732","0.00024","6.99732","","7.49177","0.00027","90","","90","","90","","366.816","0.018","298","","298","","","","","","","","","6","P 4/m m m","-P 4 2","123","SIFSIX-3-Ni","SIFSIX-3-Ni","","- C8 H8 F6 N4 Ni Si -","- C8 H8 F6 N4 Ni Si -","- C8 H8 F6 N4 Ni Si -","1","0.0625","","Elsaidi, Sameh K.; Mohamed, Mona H.; Simon, Cory M.; Braun, Efrem; Pham, Tony; Forrest, Katherine A.; Xu, Wenqian; Banerjee, Debasis; Space, Brian; Zaworotko, Michael J.; Thallapally, Praveen K.","Effect of ring rotation upon gas adsorption in SIFSIX-3-M (M = Fe, Ni) pillared square grid networks.","Chemical science","2017","8","3","2373","2380","10.1039/c6sc05012c","powder diffraction","x-ray","0.72768","synchrotron","","","","","","","","0.04738","","3.5","","","","","","","has coordinates","235373","2020-10-21","18:00:00",""
"1553651","7.1831","0.0011","7.1831","0.0011","7.5839","0.0012","90","","90","","90","","391.31","0.1","100","2","100","2","","","","","","","","7","P 4/m m m","-P 4 2","123","SIFSIX-3-Fe","SIFSIX-3-Fe","","- C8 H8 F6 Fe N4 O Si -","- C8 H8 F6 Fe N4 O Si -","- C8 H8 F6 Fe N4 O Si -","1","0.0625","","Elsaidi, Sameh K.; Mohamed, Mona H.; Simon, Cory M.; Braun, Efrem; Pham, Tony; Forrest, Katherine A.; Xu, Wenqian; Banerjee, Debasis; Space, Brian; Zaworotko, Michael J.; Thallapally, Praveen K.","Effect of ring rotation upon gas adsorption in SIFSIX-3-M (M = Fe, Ni) pillared square grid networks.","Chemical science","2017","8","3","2373","2380","10.1039/c6sc05012c","","","0.71073","MoKα","","0.0596","0.048","","","0.1543","0.1717","","","","","","1.24","","","","has coordinates","235373","2020-10-21","18:00:00",""
"1553652","7.7618","0.0005","14.0412","0.0008","13.1959","0.0008","90","","92.959","0.006","90","","1436.24","0.15","120","","120","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","1-Methylpyridinium iodobismuthate","","- C6 H8 Bi I4 N -","- C6 H8 Bi I4 N -","- C24 H32 Bi4 I16 N4 -","4","1","","Li, Tianyue; Hu, Yue; Morrison, Carole A.; Wu, Wenjun; Han, Hongwei; Robertson, Neil","Lead-free pseudo-three-dimensional organic‒inorganic iodobismuthates for photovoltaic applications","Sustainable Energy & Fuels","2017","1","2","308","","10.1039/C6SE00061D","","x-ray","0.71073","MoKα","","0.0659","0.0427","","","0.075","0.0784","","","","","","0.924","","","","has coordinates","235375","2020-10-21","18:00:00",""
"1553653","12.6997","0.0003","28.3198","0.0006","7.716","0.0002","90","","95.288","0.001","90","","2763.27","0.11","150","","150","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","pyridinium iodobismuthate","","- C5 H6 Bi I4 N -","- C5 H6 Bi I4 N -","- C40 H48 Bi8 I32 N8 -","8","2","","Li, Tianyue; Hu, Yue; Morrison, Carole A.; Wu, Wenjun; Han, Hongwei; Robertson, Neil","Lead-free pseudo-three-dimensional organic‒inorganic iodobismuthates for photovoltaic applications","Sustainable Energy & Fuels","2017","1","2","308","","10.1039/C6SE00061D","","","0.71073","MoKα","","0.0859","0.0634","","","0.165","0.1785","","","","","","1.102","","","","has coordinates","235375","2020-10-21","18:00:00",""
"1553654","15.6598","0.0011","15.6598","0.0011","34.08","0.002","90","","90","","120","","7237.7","0.8","298","2","298","2","","","","","","","","4","P 61 2 2","P 61 2 (0 0 5)","178","","","","- C42 H42 I2 N2 -","- C42 H42 I2 N2 -","- C252 H252 I12 N12 -","6","0.5","","Samanta, Soham; Halder, Senjuti; Dey, Poulomi; Manna, Utsab; Ramesh, Aiyagari; Das, Gopal","A ratiometric fluorogenic probe for the real-time detection of SO<sub>3</sub><sup>2-</sup> in aqueous medium: application in a cellulose paper based device and potential to sense SO<sub>3</sub><sup>2-</sup> in mitochondria.","The Analyst","2017","143","1","250","257","10.1039/c7an01368j","","","0.71073","MoKα","","0.1956","0.1231","","","0.3163","0.3489","","","","","","0.999","","","","has coordinates","235580","2020-10-21","18:00:00",""
"1553662","16.2355","0.0011","14.4863","0.0009","17.7924","0.0011","90","","106.064","0.004","90","","4021.2","0.5","173","2","173","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","3b","","- C46 H38 N6 O4 S2 -","- C46 H38 N6 O4 S2 -","- C184 H152 N24 O16 S8 -","4","1","","Zhao, Xueqian; Ge, Congwu; Yang, Xiaodi; Gao, Xike","Dithieno[3,2-a:3′,2′-j][5,6,11,12]chrysene diimides and their molecular energy level regulation","Materials Chemistry Frontiers","2017","1","8","1635","","10.1039/C7QM00030H","","","1.54178","CuKα","","0.1051","0.0729","","","0.1869","0.213","","","","","","1.023","","","","has coordinates","235873","2020-10-21","18:00:00",""
"1553663","5.641","0.003","9.315","0.007","19.216","0.009","90","","103.97","0.02","90","","979.9","1","293","2","293","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C26 H18 S2 -","- C26 H18 S2 -","- C52 H36 S4 -","2","0.5","","Zhang, Jibo; Ma, Suqian; Fang, Honghua; Xu, Bin; Sun, Hongbo; Chan, Im; Tian, Wenjing","Insights into the origin of aggregation enhanced emission of 9,10-distyrylanthracene derivatives","Materials Chemistry Frontiers","2017","1","7","1422","","10.1039/C7QM00032D","","","0.71073","MoKα","","0.0684","0.053","","","0.1571","0.1675","","","","","","1.086","","","","has coordinates","235875","2020-10-21","18:00:00",""
"1553664","6.418","0.003","8.632","0.004","14.198","0.006","74.951","0.006","81.658","0.007","86.211","0.007","751.2","0.6","93","2","93","2","","","","","","","","5","P -1","-P 1","2","","","","- C19 H15 B F2 N2 -","- C19 H15 B F2 N2 -","- C38 H30 B2 F4 N4 -","2","1","","Yamaguchi, Madoka; Ito, Shunichiro; Hirose, Amane; Tanaka, Kazuo; Chujo, Yoshiki","Control of aggregation-induced emission versus fluorescence aggregation-caused quenching by bond existence at a single site in boron pyridinoiminate complexes","Materials Chemistry Frontiers","2017","1","8","1573","","10.1039/C7QM00076F","","","0.71075","MoKα","","0.0713","0.0596","","","0.1541","0.1623","","","","","","1.036","","","","has coordinates","235876","2020-10-21","18:00:00",""
"1553665","9.2376","0.0008","11.5433","0.0011","13.4497","0.0011","90","","98.264","0.007","90","","1419.3","0.2","93","2","93","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C19 H13 B F2 N2 -","- C19 H13 B F2 N2 -","- C76 H52 B4 F8 N8 -","4","1","","Yamaguchi, Madoka; Ito, Shunichiro; Hirose, Amane; Tanaka, Kazuo; Chujo, Yoshiki","Control of aggregation-induced emission versus fluorescence aggregation-caused quenching by bond existence at a single site in boron pyridinoiminate complexes","Materials Chemistry Frontiers","2017","1","8","1573","","10.1039/C7QM00076F","","","0.71075","MoKα","","0.0627","0.049","","","0.1448","0.172","","","","","","1.087","","","","has coordinates","235876","2020-10-21","18:00:00",""
"1553666","10.2226","0.001","10.3008","0.001","12.2126","0.0012","74.477","0.005","67.707","0.005","71.185","0.005","1110.69","0.19","190","2","190.15","","","","","","","","","6","P -1","-P 1","2","","","","- C20 H14 Hg I2 N2 S2 -","- C20 H14 Hg I2 N2 S2 -","- C40 H28 Hg2 I4 N4 S4 -","2","1","","Gabr, Moustafa T.; Christopher Pigge, F.","A turn-on AIE active fluorescent sensor for Hg2+ by combination of 1,1-bis(2-pyridyl)ethylene and thiophene/bithiophene fragments","Materials Chemistry Frontiers","2017","1","8","1654","","10.1039/C7QM00085E","","","0.71073","MoKα","","0.0275","0.0211","","","0.0429","0.0478","","","","","","1.155","","","","has coordinates,has disorder","235878","2020-10-21","18:00:00",""
"1553667","14.7047","0.0004","14.7047","0.0004","23.9058","0.0008","90","","90","","120","","4476.6","0.2","103","4","103","4","","","","","","","","5","R 3 :H","R 3","146","","","","- C18 H16 Cl4 N4 O2 -","- C18 H15.784 Cl4 N2.66667 O2 -","- C162 H142.056 Cl36 N24 O18 -","9","1","","Zhang, Xiaohong; Shi, Jun; Shen, Guangyu; Gou, Fei; Cheng, Jinghui; Zhou, Xiangge; Xiang, Haifeng","Non-conjugated fluorescent molecular cages of salicylaldehyde-based tri-Schiff bases: AIE, enantiomers, mechanochromism, anion hosts/probes, and cell imaging properties","Materials Chemistry Frontiers","2017","1","6","1041","","10.1039/C7QM00097A","","x-ray","1.54184","CuKα","","0.0705","0.07","","","0.1908","0.1915","","","","","","1.074","","","","has coordinates,has disorder","235880","2020-10-21","18:00:00",""
"1553668","9.8325","0.001","11.2257","0.001","22.882","0.002","90","","98.783","0.009","90","","2496","0.4","292.76","0.15","292.76","0.15","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C27 H30 N4 O3 -","- C27 H30 N4 O3 -","- C108 H120 N16 O12 -","4","1","","Zhang, Xiaohong; Shi, Jun; Shen, Guangyu; Gou, Fei; Cheng, Jinghui; Zhou, Xiangge; Xiang, Haifeng","Non-conjugated fluorescent molecular cages of salicylaldehyde-based tri-Schiff bases: AIE, enantiomers, mechanochromism, anion hosts/probes, and cell imaging properties","Materials Chemistry Frontiers","2017","1","6","1041","","10.1039/C7QM00097A","","x-ray","0.71073","MoKα","","0.1107","0.0795","","","0.1734","0.2045","","","","","","1.091","","","","has coordinates","235880","2020-10-21","18:00:00",""
"1553669","14.4761","0.0005","14.4761","0.0005","40.5191","0.0019","90","","90","","120","","7353.5","0.5","294.37","0.1","294.37","0.1","","","","","","","","5","R -3 :H","-R 3","148","","","","- C18 H18 F2 N2.67 O2 -","- C18 H18 F2 N2.66667 O2 -","- C324 H324 F36 N48 O36 -","18","1","","Zhang, Xiaohong; Shi, Jun; Shen, Guangyu; Gou, Fei; Cheng, Jinghui; Zhou, Xiangge; Xiang, Haifeng","Non-conjugated fluorescent molecular cages of salicylaldehyde-based tri-Schiff bases: AIE, enantiomers, mechanochromism, anion hosts/probes, and cell imaging properties","Materials Chemistry Frontiers","2017","1","6","1041","","10.1039/C7QM00097A","","x-ray","1.54184","CuKα","","0.0755","0.0681","","","0.168","0.179","","","","","","1.064","","","","has coordinates","235880","2020-10-21","18:00:00",""
"1553670","6.29545","0.00012","15.9502","0.0004","28.8235","0.0007","90","","90","","90","","2894.27","0.12","293","2","293","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C30 H34 N4 O6 -","- C30 H34 N4 O6 -","- C120 H136 N16 O24 -","4","1","","Zhang, Xiaohong; Shi, Jun; Shen, Guangyu; Gou, Fei; Cheng, Jinghui; Zhou, Xiangge; Xiang, Haifeng","Non-conjugated fluorescent molecular cages of salicylaldehyde-based tri-Schiff bases: AIE, enantiomers, mechanochromism, anion hosts/probes, and cell imaging properties","Materials Chemistry Frontiers","2017","1","6","1041","","10.1039/C7QM00097A","","x-ray","1.54184","CuKα","","0.0621","0.0576","","","0.1545","0.164","","","","","","1.028","","","","has coordinates,has disorder","235880","2020-10-21","18:00:00",""
"1553671","12.9272","0.0004","13.0256","0.0004","23.4928","0.0006","82.005","0.002","79.707","0.002","86.311","0.002","3851.2","0.2","293","","293","","","","","","","","","4","P -1","-P 1","2","","","","- C39 H54 N4 O3 -","- C39 H54 N4 O3 -","- C156 H216 N16 O12 -","4","2","","Zhang, Xiaohong; Shi, Jun; Shen, Guangyu; Gou, Fei; Cheng, Jinghui; Zhou, Xiangge; Xiang, Haifeng","Non-conjugated fluorescent molecular cages of salicylaldehyde-based tri-Schiff bases: AIE, enantiomers, mechanochromism, anion hosts/probes, and cell imaging properties","Materials Chemistry Frontiers","2017","1","6","1041","","10.1039/C7QM00097A","","x-ray","1.54184","CuKα","","0.0882","0.0752","","","0.2199","0.2383","","","","","","1.038","","","","has coordinates","273808","2022-03-18","10:32:15",""
"1553672","15.43","0.02","10.791","0.017","10.129","0.015","90","","101.94","0.03","90","","1650","4","163","2","163","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","(Z)-1-(4-(azepan-1-yl)phenyl)-3-hydroxy-3-phenylprop-2-en-1-one","","- C21 H23 N O2 -","- C21 H23 N O2 -","- C84 H92 N4 O8 -","4","1","","Wang, Fang; DeRosa, Christopher A.; Daly, Margaret L.; Song, Daniel; Fraser, Cassandra L.","Multi-stimuli responsive luminescent azepane-substituted β-diketones and difluoroboron complexes.","Materials chemistry frontiers","2017","1","9","1866","1874","10.1039/C7QM00137A","","","0.71073","MoKα","","0.1515","0.0536","","","0.1383","0.2092","","","","","","0.977","","","","has coordinates","235882","2020-10-21","18:00:00",""
"1553673","9.4456","0.0006","9.9577","0.0006","16.2906","0.001","102.183","0.005","93.914","0.005","93.086","0.005","1490.57","0.16","170.2","","170.2","","","","","","","","","4","P -1","-P 1","2","","","","- C42 H29 N O2 -","- C42 H29 N O2 -","- C84 H58 N2 O4 -","2","1","","Peng, Zhixing; Huang, Kai; Tao, Yuhan; Li, Xihui; Zhang, Lianpeng; Lu, Ping; Wang, Yanguang","Turning on the solid emission from non-emissive 2-aryl-3-cyanobenzofurans by tethering tetraphenylethene for green electroluminescence","Materials Chemistry Frontiers","2017","1","9","1858","","10.1039/C7QM00145B","","","0.71073","MoKα","","0.1104","0.0844","","","0.1748","0.1896","","","","","","1.11","","","","has coordinates,has disorder","235884","2020-10-21","18:00:00",""
"1553674","9.4088","0.0007","11.452","0.0008","15.1598","0.0009","90.309","0.005","105.929","0.006","93.468","0.006","1567.45","0.19","293","2","293.15","","","","","","","","","4","P -1","-P 1","2","","","","- C42 H29 N O2 -","- C42 H29 N O2 -","- C84 H58 N2 O4 -","2","1","","Peng, Zhixing; Huang, Kai; Tao, Yuhan; Li, Xihui; Zhang, Lianpeng; Lu, Ping; Wang, Yanguang","Turning on the solid emission from non-emissive 2-aryl-3-cyanobenzofurans by tethering tetraphenylethene for green electroluminescence","Materials Chemistry Frontiers","2017","1","9","1858","","10.1039/C7QM00145B","","","0.71073","MoKα","","0.0904","0.0502","","","0.1029","0.1273","","","","","","1.04","","","","has coordinates","235884","2020-10-21","18:00:00",""
"1553675","18.2932","0.001","19.3313","0.0009","9.1613","0.0006","90","","103.67","0.006","90","","3148","0.3","293","2","293.15","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C42 H29 N O2 -","- C42 H29 N O2 -","- C168 H116 N4 O8 -","4","1","","Peng, Zhixing; Huang, Kai; Tao, Yuhan; Li, Xihui; Zhang, Lianpeng; Lu, Ping; Wang, Yanguang","Turning on the solid emission from non-emissive 2-aryl-3-cyanobenzofurans by tethering tetraphenylethene for green electroluminescence","Materials Chemistry Frontiers","2017","1","9","1858","","10.1039/C7QM00145B","","","0.71073","MoKα","","0.1067","0.0593","","","0.139","0.1674","","","","","","1.024","","","","has coordinates","235884","2020-10-21","18:00:00",""
"1553676","9.102","0.003","14.511","0.004","17.16","0.005","66.114","0.003","88.537","0.004","80.515","0.004","2041.9","1.1","296","2","296","2","","","","","","","","7","P -1","-P 1","2","","","","- C37 H43 Cu2 I2 N5 O2 S3 -","- C37 H43 Cu2 I2 N5 O2 S3 -","- C74 H86 Cu4 I4 N10 O4 S6 -","2","1","","Yang, Xin-Yu; Yuan, Shuai; Qin, Jun-Sheng; Lollar, Christina; Alsalme, Ali; Zhou, Hong-Cai","A flexible thioether-based MOF as a crystalline sponge for structural characterization of liquid organic molecules","Materials Chemistry Frontiers","2017","1","9","1764","","10.1039/C7QM00152E","","","0.71073","MoKα","","0.0568","0.0411","","","0.0964","0.105","","","","","","1.026","","","","has coordinates","235887","2020-10-21","18:00:00",""
"1553677","9.4203","0.0006","14.3226","0.0009","17.3309","0.0012","65.977","0.003","77.856","0.003","79.467","0.003","2075.6","0.2","100","2","100","2","","","","","","","","7","P -1","-P 1","2","","","","- C34 H27 Cu2 I2 N3 O S3 -","- C34 H27 Cu2 I2 N3 O1.01 S3 -","- C68 H54 Cu4 I4 N6 O2.02 S6 -","2","1","","Yang, Xin-Yu; Yuan, Shuai; Qin, Jun-Sheng; Lollar, Christina; Alsalme, Ali; Zhou, Hong-Cai","A flexible thioether-based MOF as a crystalline sponge for structural characterization of liquid organic molecules","Materials Chemistry Frontiers","2017","1","9","1764","","10.1039/C7QM00152E","","","1.54184","CuKα","","0.0892","0.0688","","","0.2128","0.2592","","","","","","1.059","","","","has coordinates","235887","2020-10-21","18:00:00",""
"1553678","9.174","0.006","14.442","0.01","17.023","0.011","113.404","0.008","90.013","0.008","99.203","0.008","2038","2","296","2","296","2","","","","","","","","7","P -1","-P 1","2","","","","- C30 H34 Cu2 I2 N4 O S3 -","- C30 H34 Cu2 I2 N4 O S3 -","- C60 H68 Cu4 I4 N8 O2 S6 -","2","1","","Yang, Xin-Yu; Yuan, Shuai; Qin, Jun-Sheng; Lollar, Christina; Alsalme, Ali; Zhou, Hong-Cai","A flexible thioether-based MOF as a crystalline sponge for structural characterization of liquid organic molecules","Materials Chemistry Frontiers","2017","1","9","1764","","10.1039/C7QM00152E","","","0.71073","MoKα","","0.0977","0.0643","","","0.1914","0.2156","","","","","","1.053","","","","has coordinates","235887","2020-10-21","18:00:00",""
"1553679","8.962","0.003","14.515","0.004","16.577","0.005","112.653","0.003","91.205","0.004","98.338","0.003","1962","1","296","2","296","2","","","","","","","","6","P -1","-P 1","2","","","","- C31 H33 Cu2 I2 N5 S3 -","- C31 H33 Cu2 I2 N5 S3 -","- C62 H66 Cu4 I4 N10 S6 -","2","1","","Yang, Xin-Yu; Yuan, Shuai; Qin, Jun-Sheng; Lollar, Christina; Alsalme, Ali; Zhou, Hong-Cai","A flexible thioether-based MOF as a crystalline sponge for structural characterization of liquid organic molecules","Materials Chemistry Frontiers","2017","1","9","1764","","10.1039/C7QM00152E","","","0.71073","MoKα","","0.0657","0.0474","","","0.1371","0.149","","","","","","1.025","","","","has coordinates","235887","2020-10-21","18:00:00",""
"1553680","9.353","0.006","14.189","0.009","17.257","0.01","113.336","0.007","94.402","0.007","100.137","0.007","2043","2","293","2","293","2","","","","","","","","7","P -1","-P 1","2","","","","- C31 H39 Cu2 I2 N3 O2 S5 -","- C31 H39 Cu2 I2 N3 O2 S5 -","- C62 H78 Cu4 I4 N6 O4 S10 -","2","1","","Yang, Xin-Yu; Yuan, Shuai; Qin, Jun-Sheng; Lollar, Christina; Alsalme, Ali; Zhou, Hong-Cai","A flexible thioether-based MOF as a crystalline sponge for structural characterization of liquid organic molecules","Materials Chemistry Frontiers","2017","1","9","1764","","10.1039/C7QM00152E","","","0.71073","MoKα","","0.1182","0.0655","","","0.1788","0.2093","","","","","","1.062","","","","has coordinates","235887","2020-10-21","18:00:00",""
"1553681","9.252","0.004","14.347","0.007","17.158","0.008","113.914","0.006","91.45","0.006","99.705","0.005","2041.1","1.6","293","2","293","2","","","","","","","","7","P -1","-P 1","2","","","","- C35 H45 Cu2 I2 N5 O2 S3 -","- C35 H42 Cu2 I2 N5 O2 S3 -","- C70 H84 Cu4 I4 N10 O4 S6 -","2","1","","Yang, Xin-Yu; Yuan, Shuai; Qin, Jun-Sheng; Lollar, Christina; Alsalme, Ali; Zhou, Hong-Cai","A flexible thioether-based MOF as a crystalline sponge for structural characterization of liquid organic molecules","Materials Chemistry Frontiers","2017","1","9","1764","","10.1039/C7QM00152E","","","0.71073","MoKα","","0.1014","0.0625","","","0.1806","0.2102","","","","","","1.078","","","","has coordinates","235887","2020-10-21","18:00:00",""
"1553682","6.1493","0.0013","12.443","0.003","19.762","0.004","90","","90","","90","","1512.1","0.6","153","2","153","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C17 H16 I N O2 -","- C17 H16 I N O2 -","- C68 H64 I4 N4 O8 -","4","1","","Butler, Tristan; Wang, Fang; Sabat, Michal; Fraser, Cassandra L.","Controlling solid-state optical properties of stimuli responsive dimethylamino-substituted dibenzoylmethane materials","Materials Chemistry Frontiers","2017","1","9","1804","","10.1039/C7QM00157F","","","0.71073","MoKα","","0.0167","0.0165","","","0.0426","0.0427","","","","","","1.827","","","","has coordinates","235889","2020-10-21","18:00:00",""
"1553683","12.8501","0.0018","12.8501","0.0018","15.709","0.003","90","","90","","120","","2246.4","0.6","293","2","293","2","","","","","","","","5","P 3 1 c","P 3 -2c","159","","","","- C9 H4 N2 O4 Y0.33 -","- C9 H4 N2 O4 Y0.333333 -","- C54 H24 N12 O24 Y2 -","6","1","","Liu, Kang; Li, Xu; Ma, Dingxuan; Han, Yi; Li, Baiyan; Shi, Zhan; Li, Zhenjiang; Wang, Lei","A microporous yttrium metal‒organic framework of an unusual nia topology for high adsorption selectivity of C2H2and CO2over CH4at room temperature","Materials Chemistry Frontiers","2017","1","10","1982","","10.1039/C7QM00164A","","","0.71073","MoKα","","0.0345","0.0325","","","0.089","0.0897","","","","","","1.084","","","","has coordinates","235890","2020-10-21","18:00:00",""
"1553684","8.3884","0.0008","8.4668","0.0005","14.2802","0.0012","95.006","0.006","94.479","0.007","113.925","0.007","916.34","0.14","93","2","93","2","","","","","","","","4","P -1","-P 1","2","","","","- C22 H24 N3 Ni0.5 -","- C22 H24 N3 Ni0.5 -","- C44 H48 N6 Ni -","2","1","","Yoshida, Takuya; Shinokubo, Hiroshi","Direct amination of the antiaromatic NiII norcorrole","Materials Chemistry Frontiers","2017","1","9","1853","","10.1039/C7QM00176B","","","0.71073","MoKα","","0.0521","0.046","","","0.1147","0.1197","","","","","","1.058","","","","has coordinates","235892","2020-10-21","18:00:00",""
"1553685","24.2035","0.0013","9.4392","0.0005","24.306","0.0015","90","","109.203","0.002","90","","5244","0.5","173","2","173","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C37 H24 N2 O3 -","- C37 H24 N2 O3 -","- C296 H192 N16 O24 -","8","2","","Gan, Shifeng; Zhou, Jian; Smith, Trevor A.; Su, Huifang; Luo, Wenwen; Hong, Yuning; Zhao, Zujin; Tang, Ben Zhong","New AIEgens with delayed fluorescence for fluorescence imaging and fluorescence lifetime imaging of living cells","Materials Chemistry Frontiers","2017","1","12","2554","","10.1039/C7QM00286F","","","0.71073","MoKα","","0.1271","0.0541","","","0.1016","0.1227","","","","","","1.032","","","","has coordinates","235894","2020-10-21","18:00:00",""
"1553686","8.4792","0.0008","29.902","0.002","7.9399","0.0009","90","","117.656","0.013","90","","1783.1","0.4","293","2","293.15","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C25 H17 N O2 -","- C25 H17 N O2 -","- C100 H68 N4 O8 -","4","1","","Gan, Shifeng; Zhou, Jian; Smith, Trevor A.; Su, Huifang; Luo, Wenwen; Hong, Yuning; Zhao, Zujin; Tang, Ben Zhong","New AIEgens with delayed fluorescence for fluorescence imaging and fluorescence lifetime imaging of living cells","Materials Chemistry Frontiers","2017","1","12","2554","","10.1039/C7QM00286F","","","0.71073","MoKα","","0.0641","0.0423","","","0.0896","0.1005","","","","","","1.028","","","","has coordinates","235894","2020-10-21","18:00:00",""
"1553687","7.3698","0.0002","10.7294","0.0003","27.0518","0.0009","90","","90.5158","0.0009","90","","2138.99","0.11","123","","123","","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C29 H23 N3 O2 -","- C29 H23 N3 O2 -","- C116 H92 N12 O8 -","4","1","","Tokuo, Kokichi; Sakai, Hayato; Sakanoue, Tomo; Takenobu, Taishi; Araki, Yasuyuki; Wada, Takehiko; Hasobe, Taku","Control of the electrochemical and photophysical properties of N-substituted benzo[ghi]perylene derivatives","Materials Chemistry Frontiers","2017","1","11","2299","","10.1039/C7QM00301C","","","0.71075","MoKα","","","0.0666","","","","0.1854","","","","","","1.066","","","","has coordinates","235896","2020-10-21","18:00:00",""
"1553688","18.4455","0.0006","18.4455","0.0006","26.4268","0.0005","90","","90","","120","","7786.7","0.4","150","2","150","2","","","","","","","","4","P 63/m m c","-P 6c 2c","194","","","","- C27 H18 Cu2 O11 -","- C28 H15 Cu2 O11 -","- C168 H90 Cu12 O66 -","6","0.25","","Chen, Fengli; Bai, Dongjie; Wang, Yao; Jiang, Donghao; He, Yabing","A family of ssa-type copper-based MOFs constructed from unsymmetrical diisophthalates: synthesis, characterization and selective gas adsorption","Materials Chemistry Frontiers","2017","1","11","2283","","10.1039/C7QM00302A","","","1.54184","CuKα","","0.1875","0.1593","","","0.5094","0.5563","","","","","","1.03","","","","has coordinates","235898","2020-10-21","18:00:00",""
"1553689","18.2664","0.0005","18.2664","0.0005","26.5488","0.0006","90","","90","","120","","7671.5","0.3","293","2","293","2","","","","","","","","4","P 63/m m c","-P 6c 2c","194","","","","- C28 H20 Cu2 O11 -","- C28.5 H11 Cu2 O11 -","- C171 H66 Cu12 O66 -","6","0.25","","Chen, Fengli; Bai, Dongjie; Wang, Yao; Jiang, Donghao; He, Yabing","A family of ssa-type copper-based MOFs constructed from unsymmetrical diisophthalates: synthesis, characterization and selective gas adsorption","Materials Chemistry Frontiers","2017","1","11","2283","","10.1039/C7QM00302A","","","1.54178","CuKα","","0.1928","0.151","","","0.4674","0.4955","","","","","","1.643","","","","has coordinates,has disorder","235898","2020-10-21","18:00:00",""
"1553690","18.315","0.0007","18.315","0.0007","26.7665","0.0014","90","","90","","120","","7775.6","0.6","293","2","293","2","","","","","","","","5","P 63/m m c","-P 6c 2c","194","","","","- C38 H48 Cu2 N4 O16 -","- C26 H12 Cu2 O10 -","- C156 H72 Cu12 O60 -","6","0.25","","Chen, Fengli; Bai, Dongjie; Wang, Yao; Jiang, Donghao; He, Yabing","A family of ssa-type copper-based MOFs constructed from unsymmetrical diisophthalates: synthesis, characterization and selective gas adsorption","Materials Chemistry Frontiers","2017","1","11","2283","","10.1039/C7QM00302A","","","1.54184","CuKα","","0.1969","0.1205","","","0.3686","0.4127","","","","","","1.103","","","","has coordinates","235898","2020-10-21","18:00:00",""
"1553691","14.768","0.016","15.377","0.017","16.689","0.018","90","","90","","90","","3790","7","296","2","296","2","","","","","","","","3","P n n a","-P 2a 2bc","52","","ZZ-HPB-CN","","- C48 H30 N4 -","- C48 H30 N4 -","- C192 H120 N16 -","4","0.5","","Zhang, Yahui; Kong, Lingwei; Mao, Huiling; Pan, Xiaoling; Shi, Jianbing; Tong, Bin; Dong, Yuping","Light/temperature-enhanced emission characteristics of malononitrile-containing hexaphenyl-1,3-butadiene derivatives: the hotter, the brighter","Materials Chemistry Frontiers","2017","1","12","2569","","10.1039/C7QM00304H","","","0.71073","MoKα","","0.1352","0.0576","","","0.1442","0.1904","","","","","","0.943","","","","has coordinates,has disorder","235901","2020-10-21","18:00:00",""
"1553692","10.3419","0.0012","16.4056","0.0015","20.936","0.002","90","","100.537","0.011","90","","3492.2","0.6","293","2","293","2","","","","","","","","3","C 1 2/c 1","-C 2yc","15","","","","- C23.5 H20 B0.5 -","- C23.5 H20 B0.5 -","- C188 H160 B4 -","8","1","","Chi, Weijie; Yin, Wenting; Qi, Qingkai; Qiao, Qinglong; Lin, Yuyan; Zhu, Zhuohui; Vijayan, Sindhu; Hashimoto, Michinao; Udayakumar, Gayathri; Xu, Zhaochao; Liu, Xiaogang","Ground-state conformers enable bright single-fluorophore ratiometric thermometers with positive temperature coefficients","Materials Chemistry Frontiers","2017","1","11","2383","","10.1039/C7QM00345E","","","0.7107","MoKα","","0.1682","0.0829","","","0.2097","0.2768","","","","","","1.027","","","","has coordinates","235903","2020-10-21","18:00:00",""
"1553693","7.9955","0.0014","11.139","0.002","14.735","0.003","87.095","0.006","78.445","0.006","81.208","0.006","1270.3","0.4","296","2","296","2","","","","","","","","5","P -1","-P 1","2","","","","- C29 H34 B Br2 N -","- C29 H34 B Br2 N -","- C58 H68 B2 Br4 N2 -","2","1","","Matsumoto, Takuya; Takamine, Hirofumi; Tanaka, Kazuo; Chujo, Yoshiki","Design of bond-cleavage-induced intramolecular charge transfer emission with dibenzoboroles and their application to ratiometric sensors for discriminating chain lengths of alkanes","Materials Chemistry Frontiers","2017","1","11","2368","","10.1039/C7QM00350A","","","0.71075","MoKα","","0.1758","0.084","","","0.1671","0.2049","","","","","","0.96","","","","has coordinates","235905","2020-10-21","18:00:00",""
"1553694","19.61","0.002","15.469","0.002","20.516","0.002","90","","107.135","0.011","90","","5947.2","1.2","296","2","296","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C38 H27 Br2 N O2 -","- C38 H27 Br2 N O2 -","- C304 H216 Br16 N8 O16 -","8","1","","Gopikrishna, Peddaboodi; Raman Adil, Laxmi; Iyer, Parameswar Krishnan","Bridge-driven aggregation control in dibenzofulvene‒naphthalimide based donor‒bridge‒acceptor systems: enabling fluorescence enhancement, blue to red emission and solvatochromism","Materials Chemistry Frontiers","2017","1","12","2590","","10.1039/C7QM00357A","","","0.71073","MoKα","","0.1421","0.0436","","","0.1186","0.187","","","","","","0.985","","","","has coordinates","235907","2020-10-21","18:00:00",""
"1553695","11.2762","0.0006","13.9376","0.0008","17.8045","0.0011","90","","101.143","0.004","90","","2745.5","0.3","296","2","296","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C38 H29 N O2 -","- C38 H29 N O2 -","- C152 H116 N4 O8 -","4","1","","Gopikrishna, Peddaboodi; Raman Adil, Laxmi; Iyer, Parameswar Krishnan","Bridge-driven aggregation control in dibenzofulvene‒naphthalimide based donor‒bridge‒acceptor systems: enabling fluorescence enhancement, blue to red emission and solvatochromism","Materials Chemistry Frontiers","2017","1","12","2590","","10.1039/C7QM00357A","","","0.71073","MoKα","","0.1213","0.0545","","","0.1472","0.1844","","","","","","0.978","","","","has coordinates","235907","2020-10-21","18:00:00",""
"1553724","10.445","0.002","14.347","0.003","14.407","0.003","82.53","0.03","85.3","0.03","74.55","0.03","2060.7","0.8","293","2","293","2","","","","","","","","6","P -1","-P 1","2","","","","- C22 H23 Cl N2 O0 Ru -","- C22 H23 Cl N2 Ru -","- C88 H92 Cl4 N8 Ru4 -","4","2","","Li, Gang; Lv, Xulu; Guo, Kexiao; Wang, Ya; Yang, Suling; Yu, Liuyang; Yu, Yantang; Wang, Junjie","Ruthenium-catalyzed meta-selective C‒H sulfonation of azoarenes with arylsulfonyl chlorides","Organic Chemistry Frontiers","2017","4","6","1145","","10.1039/C7QO00004A","","","0.71073","MoKα","","0.0817","0.0695","","","0.1802","0.1846","","","","","","1.105","","","","has coordinates","235944","2020-10-21","18:00:00",""
"1553725","34.644","0.007","7.0976","0.0014","13.544","0.003","90","","98.63","0.03","90","","3292.6","1.2","293","2","293","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C18 H13 Cl N2 O2 S -","- C18 H13 Cl N2 O2 S -","- C144 H104 Cl8 N16 O16 S8 -","8","1","","Li, Gang; Lv, Xulu; Guo, Kexiao; Wang, Ya; Yang, Suling; Yu, Liuyang; Yu, Yantang; Wang, Junjie","Ruthenium-catalyzed meta-selective C‒H sulfonation of azoarenes with arylsulfonyl chlorides","Organic Chemistry Frontiers","2017","4","6","1145","","10.1039/C7QO00004A","","","0.71073","MoKα","","0.0632","0.0409","","","0.1337","0.1539","","","","","","1.002","","","","has coordinates","235944","2020-10-21","18:00:00",""
"1553726","11.4884","0.0005","11.9792","0.0005","20.8251","0.0008","90","","90","","90","","2866","0.2","100","2","100","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C16 H15 N O7 -","- C16 H15 N O7 -","- C128 H120 N8 O56 -","8","2","","Wang, Junliang; Li, Jianneng; Shen, Xianwang; Dong, Cong; Lin, Jun; Wei, Kun","Asymmetric total synthesis of (−)-δ-lycorane","Organic Chemistry Frontiers","2017","4","6","1149","","10.1039/C7QO00021A","","","1.54178","CuKα","","0.0535","0.0527","","","0.1534","0.1545","","","","","","1.034","","","","has coordinates","235946","2020-10-21","18:00:00",""
"1553727","13.8813","0.0006","14.4392","0.0007","23.5317","0.0011","95.8618","0.0012","105.365","0.0012","91.4814","0.0011","4517.3","0.4","200","2","200","2","","","","","","","","3","P -1","-P 1","2","","","","- C60 H46 N4.5 -","- C60 H46 N4.5 -","- C240 H184 N18 -","4","2","","Kimura, Yosuke; Kawajiri, Ikumi; Ueki, Masanori; Morimoto, Takayuki; Nishida, Jun-ichi; Ikeda, Hiroshi; Tanaka, Mirai; Kawase, Takeshi","A new fluorophore displaying remarkable solvatofluorochromism and solid-state light emission, and serving as a turn-on fluorescent sensor for cyanide ions","Organic Chemistry Frontiers","2017","4","5","743","","10.1039/C7QO00029D","","","0.71075","MoKα","","0.2091","0.0714","","","0.1685","0.2407","","","","","","0.938","","","","has coordinates,has disorder","274176","2022-03-31","10:10:26",""
"1553728","11.5","0.004","10.46","0.004","11.413","0.005","90","","95.06","0.008","90","","1367.5","0.9","130","","130","","","","","","","","","6","C 1 2 1","C 2y","5","","","","- C11 H16 F3 N O2 S2 -","- C11 H16 F3 N O2 S2 -","- C44 H64 F12 N4 O8 S8 -","4","1","","Zhang, He; Leng, Xuebing; Wan, Xiaolong; Shen, Qilong","(1S)-(−)-N-Trifluoromethylthio-2,10-camphorsultam and its derivatives: easily available, optically pure reagents for asymmetric trifluoromethylthiolation","Organic Chemistry Frontiers","2017","4","6","1051","","10.1039/C7QO00042A","","","0.71073","MoKα","","0.0455","0.0404","","","0.0934","0.0982","","","","","","1.108","","","","has coordinates","235951","2020-10-21","18:00:00",""
"1553729","6.6977","0.0005","8.1914","0.0006","30.513","0.002","90","","90","","90","","1674.1","0.2","130","","130","","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C19 H10 F4 O2 S -","- C19 H10 F4 O2 S -","- C76 H40 F16 O8 S4 -","4","1","","Zhang, He; Leng, Xuebing; Wan, Xiaolong; Shen, Qilong","(1S)-(−)-N-Trifluoromethylthio-2,10-camphorsultam and its derivatives: easily available, optically pure reagents for asymmetric trifluoromethylthiolation","Organic Chemistry Frontiers","2017","4","6","1051","","10.1039/C7QO00042A","","","0.71073","MoKα","","0.0353","0.0334","","","0.0865","0.0875","","","","","","1.067","","","","has coordinates","235951","2020-10-21","18:00:00",""
"1553730","7.5426","0.0006","13.2312","0.001","15.9887","0.0013","90","","90","","90","","1595.6","0.2","130","2","130","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C15 H15 F3 O5 S -","- C15 H15 F3 O5 S -","- C60 H60 F12 O20 S4 -","4","1","","Zhang, He; Leng, Xuebing; Wan, Xiaolong; Shen, Qilong","(1S)-(−)-N-Trifluoromethylthio-2,10-camphorsultam and its derivatives: easily available, optically pure reagents for asymmetric trifluoromethylthiolation","Organic Chemistry Frontiers","2017","4","6","1051","","10.1039/C7QO00042A","","","0.71073","MoKα","","0.0307","0.0273","","","0.07","0.0719","","","","","","1.033","","","","has coordinates","235951","2020-10-21","18:00:00",""
"1553731","8.5502","0.0008","11.0835","0.0011","16.8212","0.0016","90","","90","","90","","1594.1","0.3","130","","130","","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C17 H11 F3 N2 O S -","- C17 H11 F3 N2 O S -","- C68 H44 F12 N8 O4 S4 -","4","1","","Zhang, He; Leng, Xuebing; Wan, Xiaolong; Shen, Qilong","(1S)-(−)-N-Trifluoromethylthio-2,10-camphorsultam and its derivatives: easily available, optically pure reagents for asymmetric trifluoromethylthiolation","Organic Chemistry Frontiers","2017","4","6","1051","","10.1039/C7QO00042A","","","0.71073","MoKα","","0.0471","0.0397","","","0.0975","0.1022","","","","","","1.036","","","","has coordinates","235951","2020-10-21","18:00:00",""
"1553732","7.7869","0.0006","10.8732","0.0008","8.8809","0.0007","90","","95.062","0.001","90","","749","0.1","130","","130","","","","","","","","","7","P 1 21 1","P 2yb","4","","","","- C11 H14 Cl2 F3 N O2 S2 -","- C11 H14 Cl2 F3 N O2 S2 -","- C22 H28 Cl4 F6 N2 O4 S4 -","2","1","","Zhang, He; Leng, Xuebing; Wan, Xiaolong; Shen, Qilong","(1S)-(−)-N-Trifluoromethylthio-2,10-camphorsultam and its derivatives: easily available, optically pure reagents for asymmetric trifluoromethylthiolation","Organic Chemistry Frontiers","2017","4","6","1051","","10.1039/C7QO00042A","","","0.71073","MoKα","","0.0292","0.0285","","","0.072","0.0725","","","","","","1.035","","","","has coordinates","235951","2020-10-21","18:00:00",""
"1553733","12.4266","0.0017","8.8229","0.0012","15.107","0.002","90","","105.7","0.003","90","","1594.5","0.4","130","","130","","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C13 H20 F3 N O4 S2 -","- C13 H20 F3 N O4 S2 -","- C52 H80 F12 N4 O16 S8 -","4","2","","Zhang, He; Leng, Xuebing; Wan, Xiaolong; Shen, Qilong","(1S)-(−)-N-Trifluoromethylthio-2,10-camphorsultam and its derivatives: easily available, optically pure reagents for asymmetric trifluoromethylthiolation","Organic Chemistry Frontiers","2017","4","6","1051","","10.1039/C7QO00042A","","","0.71073","MoKα","","0.0445","0.0379","","","0.0862","0.0904","","","","","","1.033","","","","has coordinates","235951","2020-10-21","18:00:00",""
"1553734","15.566","0.002","15.831","0.0016","17.7553","0.0019","80.813","0.006","89.907","0.011","88.251","0.009","4317.2","0.8","93","2","93","2","","","","","","","","6","P -1","-P 1","2","","","","- C101 H110 N4 Ni P Pt0.5 -","- C101 H110 N4 Ni P Pt0.5 -","- C202 H220 N8 Ni2 P2 Pt -","2","1","","Fukui, Norihito; Jiang, Hua-Wei; Osuka, Atsuhiro","meso-to-meso PtII-bridged NiII-porphyrin dimers","Organic Chemistry Frontiers","2017","4","5","767","","10.1039/C7QO00093F","","","1.54187","CuKα","","0.0341","0.0313","","","0.0799","0.081","","","","","","1.042","","","","has coordinates,has disorder","235954","2020-10-21","18:00:00",""
"1553735","16.142","0.003","21.227","0.004","22.446","0.004","106.1","0.005","92.132","0.001","93.364","0.006","7365","2","93","2","93","2","","","","","","","","6","P -1","-P 1","2","","","","- C162 H174 Cl10 N8 Ni2 Pt -","- C162 H174 Cl10 N8 Ni2 Pt -","- C324 H348 Cl20 N16 Ni4 Pt2 -","2","1","","Fukui, Norihito; Jiang, Hua-Wei; Osuka, Atsuhiro","meso-to-meso PtII-bridged NiII-porphyrin dimers","Organic Chemistry Frontiers","2017","4","5","767","","10.1039/C7QO00093F","","","1.54187","CuKα","","0.0683","0.0581","","","0.1606","0.1669","","","","","","1.054","","","","has coordinates,has disorder","235954","2020-10-21","18:00:00",""
"1553736","13.8397","0.0009","24.2642","0.0013","16.7166","0.0013","90","","109.444","0.008","90","","5293.4","0.7","180","0.1","180","0.1","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C76 H38 Br N O8 -","- C76 H38 Br N O8 -","- C304 H152 Br4 N4 O32 -","4","1","","Xu, Dan; Li, Yanbang; Lou, Ning; Gan, Liangbing","Synthesis of homoazafullerene [C59N(CH2)]R and azahomoazafullerene [C59N(NH)]R","Organic Chemistry Frontiers","2017","4","5","750","","10.1039/C7QO00098G","","","0.71073","MoKα","","0.1521","0.0699","","","0.1429","0.1714","","","","","","0.921","","","","has coordinates","235956","2020-10-21","18:00:00",""
"1553737","21.489","0.004","10.179","0.002","22.215","0.004","90","","90","","90","","4859.2","1.6","100","","100","","","","","","","","","4","P n a 21","P 2c -2n","33","","","","- C76 H39 N O9 -","- C76 H39 N O9 -","- C304 H156 N4 O36 -","4","1","","Xu, Dan; Li, Yanbang; Lou, Ning; Gan, Liangbing","Synthesis of homoazafullerene [C59N(CH2)]R and azahomoazafullerene [C59N(NH)]R","Organic Chemistry Frontiers","2017","4","5","750","","10.1039/C7QO00098G","","","0.71073","MoKα","","0.0804","0.0656","","","0.1822","0.1998","","","","","","1.054","","","","has coordinates,has disorder","235956","2020-10-21","18:00:00",""
"1553738","17.5147","0.001","7.024","0.003","15.73","0.009","90","","114.033","0.006","90","","1767.4","1.3","150","","150","","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","N-(3-(4-bromophenyl)-5-methylene-2-oxooxazolidin-4-yl)-4-methylbenzenesulfonamide","","- C17 H13 Br N2 O4 S -","- C17 H13 Br N2 O4 S -","- C68 H52 Br4 N8 O16 S4 -","4","1","","Pal, Kuntal; Volla, Chandra M. R.","Rhodium-catalyzed denitrogenative transannulation of 1,2,3-triazolyl-carbamates: efficient access to 4-aminooxazolidinones","Organic Chemistry Frontiers","2017","4","7","1380","","10.1039/C7QO00101K","","","0.7107","MoKα","","0.0547","0.0451","","","0.0991","0.1046","","","","","","1.091","","","","has coordinates","235958","2020-10-21","18:00:00",""
"1553739","25.513","0.013","13.881","0.008","6.794","0.004","90","","90","","90","","2406","2","293","","293","","","","","","","","","4","P b c a","-P 2ac 2ab","61","","5-fluoro-2-phenyl-1H-indole-1-carbonitrile","","- C15 H9 F N2 -","- C15 H9 F N2 -","- C120 H72 F8 N16 -","8","1","","Panaka, Sangeetha; Trivedi, Rajiv; Sony, T.; Prabhakar, S.; Raju Chowhan, L.","Silver(i) catalyzed intramolecular cyclization of N-(2-(alk-1-yn-1-yl))-1H-tetrazoles leading to the formation of N-cyano-2-substituted indoles under ambient conditions","Org. Chem. Front.","2017","4","8","1574","","10.1039/C7QO00109F","","","0.71075","MoKα","","","0.1134","","","","0.3222","","","","","","1.049","","","","has coordinates","235960","2020-10-21","18:00:00",""
"1553740","25.555","0.002","14.1257","0.0011","6.8724","0.0006","90","","90","","90","","2480.8","0.3","293","","293","","","","","","","","","3","P b c a","-P 2ac 2ab","61","","5-methyl-2-phenyl-1H-indole-1-carbonitrile","","- C16 H13 N2 -","- C16 H12 N2 -","- C128 H96 N16 -","8","1","","Panaka, Sangeetha; Trivedi, Rajiv; Sony, T.; Prabhakar, S.; Raju Chowhan, L.","Silver(i) catalyzed intramolecular cyclization of N-(2-(alk-1-yn-1-yl))-1H-tetrazoles leading to the formation of N-cyano-2-substituted indoles under ambient conditions","Org. Chem. Front.","2017","4","8","1574","","10.1039/C7QO00109F","","","0.71075","MoKα","","","0.0467","","","","0.1541","","","","","","0.92","","","","has coordinates","235960","2020-10-21","18:00:00",""
"1553741","28.543","0.006","7.309","0.0015","16.361","0.003","90","","105.04","0.03","90","","3296.3","1.2","293","2","293","2","","","","","","","","3","C 1 2/c 1","-C 2yc","15","","","","- C19 H22 O3 -","- C19 H22 O3 -","- C152 H176 O24 -","8","1","","Chang, Wenju; Dai, Jie; Li, Jingfu; Shi, Yuan; Ren, Wenlong; Shi, Yian","A facile approach to ketones via Pd-catalyzed sequential carbonylation of olefins with formic acid","Organic Chemistry Frontiers","2017","4","6","1074","","10.1039/C7QO00111H","","","0.71073","MoKα","","0.1583","0.0639","","","0.1064","0.1411","","","","","","1.002","","","","has coordinates","235962","2020-10-21","18:00:00",""
"1553742","5.69674","0.00011","8.92923","0.00016","19.6982","0.0005","90","","94.927","0.002","90","","998.3","0.04","173","0.1","173","0.1","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C11 H8 N O2 S -","- C22 H16 N2 O4 S2 -","- C44 H32 N4 O8 S4 -","2","0.5","","Ammon, Felix; Sauer, Stephanie Theresia; Lippert, Rainer; Lungerich, Dominik; Reger, David; Hampel, Frank; Jux, Norbert","Unexpected formation of [5]helicenes from hexaarylbenzenes containing pyrrole moieties","Organic Chemistry Frontiers","2017","4","5","861","","10.1039/C7QO00112F","","x-ray","1.54184","CuKα","","0.0465","0.043","","","0.1146","0.1186","","","","","","1.054","","","","has coordinates","235964","2020-10-21","18:00:00",""
"1553743","14.0225","0.0007","15.4902","0.001","15.6494","0.0005","109.303","0.004","105.791","0.004","106.459","0.005","2814.2","0.3","152.7","1","152.7","1","","","","","","","","6","P -1","-P 1","2","","","","- C67.5 H66 Cl3 N O2 S -","- C67.5 H66 Cl3 N O2 S -","- C135 H132 Cl6 N2 O4 S2 -","2","1","","Ammon, Felix; Sauer, Stephanie Theresia; Lippert, Rainer; Lungerich, Dominik; Reger, David; Hampel, Frank; Jux, Norbert","Unexpected formation of [5]helicenes from hexaarylbenzenes containing pyrrole moieties","Organic Chemistry Frontiers","2017","4","5","861","","10.1039/C7QO00112F","","x-ray","1.54184","CuKα","","0.0797","0.0729","","","0.1995","0.2094","","","","","","1.021","","","","has coordinates,has disorder","235964","2020-10-21","18:00:00",""
"1553744","8.2685","0.0016","13.793","0.003","17.645","0.003","72.588","0.003","88.716","0.003","77.009","0.002","1868.8","0.6","150","","150","","","","","","","","","3","P -1","-P 1","2","","","","- C84 H108 Si4 -","- C84 H108 Si4 -","- C84 H108 Si4 -","1","0.5","","Bettinger, Holger F.; Einholz, Ralf; Göttler, Andreas; Junge, Marc; Sättele, Marie-Sophie; Schnepf, Andreas; Schrenk, Claudio; Schundelmeier, Simon; Speiser, Bernd","6,6′,11,11′-Tetra((triisopropylsilyl)ethynyl)-anti-[2.2](1,4)tetracenophane: a covalently coupled tetracene dimer and its structural, electrochemical, and photophysical characterization","Organic Chemistry Frontiers","2017","4","5","853","","10.1039/C7QO00117G","","","0.8","synchrotron","","0.0904","0.0564","","","0.1314","0.1438","","","","","","1.015","","","","has coordinates","235966","2020-10-21","18:00:00",""
"1553745","6.121","0.005","8.835","0.007","13.265","0.012","83.14","0.02","79.6","0.02","72.93","0.02","672.8","1","296","2","296","2","","","","","","","synthesis","5","P -1","-P 1","2","","(E)-6-methyl-N-(1-phenylethylidene)pyridine-2-sulfonamide","","- C14 H14 N2 O2 S -","- C14 H14 N2 O2 S -","- C28 H28 N4 O4 S2 -","2","1","","Wang, Bin; Xu, Tong; Zhu, Lei; Lan, Yu; Wang, Jingdong; Lu, Ning; Wei, Zhonglin; Lin, Yingjie; Duan, Haifeng","Highly enantioselective nitro-Mannich reaction of ketimines under phase-transfer catalysis","Organic Chemistry Frontiers","2017","4","7","1266","","10.1039/C7QO00124J","","","0.71073","MoKα","","0.0942","0.0655","","","0.1851","0.2162","","","","","","0.967","","","","has coordinates","235968","2020-10-21","18:00:00",""
"1553746","8.6132","0.0015","7.4744","0.0014","12.867","0.003","90","","109.429","0.005","90","","781.2","0.3","296","2","296","2","","","","","","","synthesis","5","P 1 21 1","P 2yb","4","","(R)-6-methyl-N-(1-nitro-2-phenylpropan-2-yl)pyridine-2-sulfonamide","","- C15 H17 N3 O4 S -","- C15 H17 N3 O4 S -","- C30 H34 N6 O8 S2 -","2","1","","Wang, Bin; Xu, Tong; Zhu, Lei; Lan, Yu; Wang, Jingdong; Lu, Ning; Wei, Zhonglin; Lin, Yingjie; Duan, Haifeng","Highly enantioselective nitro-Mannich reaction of ketimines under phase-transfer catalysis","Organic Chemistry Frontiers","2017","4","7","1266","","10.1039/C7QO00124J","","","0.71073","MoKα","","0.0385","0.0352","","","0.0849","0.0874","","","","","","1.047","","","","has coordinates","235968","2020-10-21","18:00:00",""
"1553747","21.7066","0.0008","21.7067","0.0008","20.1949","0.0013","90","","122.509","0.003","90","","8024.4","0.7","213","2","213","2","","","","","","","","2","C 1 c 1","C -2yc","9","","1,4,1',4?-tetramethyl-9,9?-bifluorenylidene","","- C30 H24 -","- C30 H24 -","- C480 H384 -","16","4","","Takai, Atsuro; Freas, Dylan J.; Suzuki, Toshikane; Sugimoto, Manabu; Labuta, Jan; Haruki, Rie; Kumai, Reiji; Adachi, Shin-ichi; Sakai, Hayato; Hasobe, Taku; Matsushita, Yoshitaka; Takeuchi, Masayuki","The effect of a highly twisted CC double bond on the electronic structures of 9,9′-bifluorenylidene derivatives in the ground and excited states","Organic Chemistry Frontiers","2017","4","5","650","","10.1039/C7QO00125H","","","0.71073","MoKα","","0.1838","0.0776","","","0.1578","0.2027","","","","","","0.874","","","","has coordinates","235970","2020-10-21","18:00:00",""
"1553748","7.6834","0.0016","8.0281","0.0017","12.554","0.003","85.471","0.003","73.42","0.003","74.044","0.003","713.6","0.3","173","2","173","2","","","","","","","","5","P -1","-P 1","2","","","","- C15 H13 N O4 S2 -","- C15 H13 N O4 S2 -","- C30 H26 N2 O8 S4 -","2","1","","Zhou, Kaida; Xia, Hongguang; Wu, Jie","Generation of benzosultams via a radical process with the insertion of sulfur dioxide","Organic Chemistry Frontiers","2017","4","6","1121","","10.1039/C7QO00127D","","","0.71073","MoKα","","0.0534","0.0396","","","0.1348","0.1787","","","","","","1.22","","","","has coordinates","235972","2020-10-21","18:00:00",""
"1553749","8.151","0.01","8.239","0.009","22.94","0.03","90","","100.06","0.02","90","","1517","3","296","2","296","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C15 H13 N O4 S2 -","- C15 H13 N O4 S2 -","- C60 H52 N4 O16 S8 -","4","1","","Zhou, Kaida; Xia, Hongguang; Wu, Jie","Generation of benzosultams via a radical process with the insertion of sulfur dioxide","Organic Chemistry Frontiers","2017","4","6","1121","","10.1039/C7QO00127D","","","0.71073","MoKα","","0.1152","0.0582","","","0.1803","0.2242","","","","","","0.947","","","","has coordinates","235972","2020-10-21","18:00:00",""
"1553750","9.0047","0.0003","9.2247","0.0003","9.4826","0.0003","109.875","0.003","108.593","0.003","107.103","0.003","626.45","0.05","100","","100","","","","","","","","","4","P 1","P 1","1","","","","- C26 H31 N3 O6 -","- C26 H31 N3 O6 -","- C26 H31 N3 O6 -","1","1","","Guo, Jing; Lin, Zi-Hui; Chen, Kai-Bin; Xie, Ying; Chan, Albert S. C.; Weng, Jiang; Lu, Gui","Asymmetric amination of 2-substituted indolin-3-ones catalyzed by natural cinchona alkaloids","Organic Chemistry Frontiers","2017","4","7","1400","","10.1039/C7QO00129K","","x-ray","1.54184","CuKα","","0.0421","0.0417","","","0.121","0.122","","","","","","1.0608","","","","has coordinates","235974","2020-10-21","18:00:00",""
"1553751","8.9558","0.0013","9.4432","0.0013","13.6247","0.0018","92.926","0.003","95.287","0.004","111","0.003","1066.8","0.3","240","2","240","2","","","","","","","","3","P -1","-P 1","2","10,10""-dioxyl-9,9':10',9""-teranthrylene","","","- C54 H48 O8 -","- C54 H48 O8 -","- C54 H48 O8 -","1","0.5","","Hirao, Yasukazu; Konishi, Akihito; Kubo, Takashi","Anthroxyl-based biradical: toward the construction of highly stable multi-spin systems","Organic Chemistry Frontiers","2017","4","5","828","","10.1039/C7QO00130D","","","0.71075","MoKα","","0.1807","0.076","","","0.1962","0.2698","","","","","","0.968","","","","has coordinates,has disorder","235976","2020-10-21","18:00:00",""
"1553752","11.8673","0.0003","14.8352","0.0003","15.9367","0.0005","90","","102.976","0.0009","90","","2734.08","0.12","120","2","120","2","","","","","","","","3","P 1 21/n 1","-P 2yn","14","2,2"",7,7""-tetra-tert-butyl-10,10""-dioxyl-9,9':10',9""-teranthrylene","","","- C66 H72 O6 -","- C66 H68 O6 -","- C132 H136 O12 -","2","0.5","","Hirao, Yasukazu; Konishi, Akihito; Kubo, Takashi","Anthroxyl-based biradical: toward the construction of highly stable multi-spin systems","Organic Chemistry Frontiers","2017","4","5","828","","10.1039/C7QO00130D","","","0.71075","MoKα","","0.0855","0.0637","","","0.1863","0.2067","","","","","","1.103","","","","has coordinates,has disorder","235976","2020-10-21","18:00:00",""
"1553753","23.6823","0.0014","14.1831","0.0008","19.4393","0.001","90","","101.921","0.0017","90","","6388.6","0.6","296","2","296","2","","","","","","","","3","C 1 2/c 1","-C 2yc","15","","","","- C41 H27 O -","- C41 H27 O -","- C328 H216 O8 -","8","1","","Ip, Ho-Wang; Chow, Hak-Fun; Kuck, Dietmar","Electronic and steric effects on the three-fold Scholl-type cycloheptatriene ring formation around a tribenzotriquinacene core","Organic Chemistry Frontiers","2017","4","5","817","","10.1039/C7QO00132K","","","0.71073","MoKα","","0.0864","0.058","","","0.1439","0.1598","","","","","","1.045","","","","has coordinates","235978","2020-10-21","18:00:00",""
"1553754","12.4244","0.0009","8.0614","0.0006","14.7164","0.001","90","","100.607","0.002","90","","1448.78","0.18","100","2","100","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","methyl 2-(3-methyl-11H-benzo[4,5]imidazo[2,1-a]isoindol-11-yl)acetate","","- C18 H16 N2 O2 -","- C18 H16 N2 O2 -","- C72 H64 N8 O8 -","4","1","","Selvaraju, Manikandan; Wang, Ying-Lien; Sun, Chung-Ming","Ruthenium(ii)-catalyzed C‒H alkenylation/annulation cascade for the rapid synthesis of benzoimidazoisoindoles","Organic Chemistry Frontiers","2017","4","7","1358","","10.1039/C7QO00136C","","","0.71073","MoKα","","0.0463","0.0376","","","0.0917","0.0982","","","","","","1.03","","","","has coordinates","235980","2020-10-21","18:00:00",""
"1553755","8.086","0.005","14.196","0.005","23.304","0.005","90","0.005","90","0.005","90","0.005","2675","2","293","2","293","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C7.75 H7.75 F7.75 N7.75 O7.75 S7.75 -","- C30 H19 F3 N O5 S2 -","- C120 H76 F12 N4 O20 S8 -","4","1","","Pouambeka, Tony Wheellyam; Zhang, Ge; Zheng, Guang-Fan; Xu, Guo-Xing; Zhang, Qian; Xiong, Tao; Zhang, Qian","Copper-catalyzed oxidative amidation of α,β-unsaturated ketones via selective C‒H or C‒C bond cleavage","Organic Chemistry Frontiers","2017","4","7","1420","","10.1039/C7QO00146K","","","0.71069","MoKα","","0.0936","0.064","","","0.1363","0.1534","","","","","","1.03","","","","has coordinates","235982","2020-10-21","18:00:00",""
"1553756","5.9608","0.0004","18.7773","0.0009","20.3817","0.0011","90","","90","","90","","2281.3","0.2","296","2","296","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C27 H21 N O2 S2 -","- C27 H21 N O2 S2 -","- C108 H84 N4 O8 S8 -","4","1","","Shi, Qing; Li, Pinhua; Zhang, Yan; Wang, Lei","Visible light-induced tandem oxidative cyclization of 2-alkynylanilines with disulfides (diselenides) to 3-sulfenyl- and 3-selenylindoles under transition metal-free and photocatalyst-free conditions","Organic Chemistry Frontiers","2017","4","7","1322","","10.1039/C7QO00152E","","","0.71073","MoKα","","0.041","0.0337","","","0.0813","0.0861","","","","","","1.026","","","","has coordinates","235984","2020-10-21","18:00:00",""
"1553757","9.0611","0.0006","7.1551","0.0004","20.5051","0.0018","90","","93.684","0.006","90","","1326.66","0.16","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C16 H12 Cl N O -","- C16 H12 Cl N O -","- C64 H48 Cl4 N4 O4 -","4","1","","Zhang, Zhiguo; Zhang, Yongchao; Huang, Guoqing; Zhang, Guisheng","Organoiodine reagent-promoted intermolecular oxidative amination: synthesis of cyclopropyl spirooxindoles","Organic Chemistry Frontiers","2017","4","7","1372","","10.1039/C7QO00156H","","x-ray","1.54184","CuKα","","0.054","0.0443","","","0.1155","0.1246","","","","","","1.039","","","","has coordinates","235986","2020-10-21","18:00:00",""
"1553758","8.3955","0.0002","14.09","0.0004","16.7651","0.0005","90","","90","","90","","1983.19","0.09","100","","100","","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C17 H18 Br F3 N2 O6 -","- C17 H18 Br F3 N2 O6 -","- C68 H72 Br4 F12 N8 O24 -","4","1","","Liu, Qiang; Zhao, Kun; Zhi, Ying; Raabe, Gerhard; Enders, Dieter","Squaramide-catalyzed domino Michael/aza-Henry [3 + 2] cycloaddition: asymmetric synthesis of functionalized 5-trifluoromethyl and 3-nitro substituted pyrrolidines","Organic Chemistry Frontiers","2017","4","7","1416","","10.1039/C7QO00161D","","","1.54178","CuKα","","0.028","0.028","","0.031","","0.031","","","1.002","","","1.006","","","","has coordinates","235987","2020-10-21","18:00:00",""
"1553759","9.593","0.004","15.307","0.007","16.705","0.008","90","","93.785","0.008","90","","2447.6","1.9","100.01","0.1","100.01","0.1","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C23 H22 Br Cl2 N3 O5 -","- C23 H22 Br Cl2 N3 O5 -","- C92 H88 Br4 Cl8 N12 O20 -","4","1","","Chen, Dong-Zhen; Xiao, Wen-Jing; Chen, Jia-Rong","Synthesis of spiropyrazoline oxindoles by a formal [4 + 1] annulation reaction between 3-bromooxindoles and in situ-derived 1,2-diaza-1,3-dienes","Organic Chemistry Frontiers","2017","4","7","1289","","10.1039/C7QO00163K","","","0.71073","MoKα","","0.0598","0.0405","","","0.1088","0.1204","","","","","","1.023","","","","has coordinates,has disorder","235989","2020-10-21","18:00:00",""
"1553760","6.299","0.008","11.774","0.015","14.904","0.019","99.608","0.016","94.163","0.015","96.363","0.016","1078","2","298","2","298.15","","","","","","","","","6","P -1","-P 1","2","","","","- C20 H17 Br Cl3 N3 O3 -","- C20 H17 Br Cl3 N3 O3 -","- C40 H34 Br2 Cl6 N6 O6 -","2","1","","Chen, Dong-Zhen; Xiao, Wen-Jing; Chen, Jia-Rong","Synthesis of spiropyrazoline oxindoles by a formal [4 + 1] annulation reaction between 3-bromooxindoles and in situ-derived 1,2-diaza-1,3-dienes","Organic Chemistry Frontiers","2017","4","7","1289","","10.1039/C7QO00163K","","","0.71073","MoKα","","0.2","0.1125","","","0.2823","0.3492","","","","","","1.051","","","","has coordinates","235989","2020-10-21","18:00:00",""
"1553761","7.738","0.0005","11.656","0.0008","14.0895","0.0008","90","","90","","90","","1270.79","0.14","298.84","0.1","298.84","0.1","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","2',3'-dihydrospiro[cyclopentane-1,1'-cyclopenta[a]naphthalen]-2-one","","- C17 H16 O -","- C17 H16 O -","- C68 H64 O4 -","4","1","","Zhang, Bo-Sheng; Hua, Hui-Liang; Gao, Lu-Yao; Liu, Ce; Qiu, Yi-Feng; Zhou, Ping-Xin; Zhou, Zhao-Zhao; Zhao, Jia-Hui; Liang, Yong-Min","Palladium-catalyzed arene C‒H activation/ketone C‒H functionalization reaction: route to spirodihydroindenones","Organic Chemistry Frontiers","2017","4","7","1376","","10.1039/C7QO00164A","","x-ray","0.71073","MoKα","","0.0845","0.0553","","","0.112","0.1329","","","","","","1.109","","","","has coordinates","235990","2020-10-21","18:00:00",""
"1553762","16.382","0.004","18.322","0.004","14.538","0.003","90","","120.472","0.003","90","","3760.9","1.5","","","273.15","","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","1-phenyl-2-tosyl-9H-pyrrolo[1,2-a]indole","","- C4 H3.167 N0.167 O0.333 S0.167 -","- C4 H3.16667 N0.166667 O0.333333 S0.166667 -","- C192 H152 N8 O16 S8 -","48","6","","Zhang, Pengbo; Gao, Yuzhen; Chen, Su; Tang, Guo; Zhao, Yufen","Direct synthesis of 2-sulfonated 9H-pyrrolo[1,2-a]indoles via NaI-catalyzed cascade radical addition/cyclization/isomerization","Organic Chemistry Frontiers","2017","4","7","1350","","10.1039/C7QO00167C","","","0.71073","MoKα","","0.0751","0.0546","","","0.1568","0.171","","","","","","1.1214","","","","has coordinates","235992","2020-10-21","18:00:00",""
"1553763","7.1026","0.0003","7.8866","0.0003","11.4159","0.0005","92.777","0.002","92.263","0.002","114.968","0.001","577.75","0.04","100","2","100","2","","","","","","","","4","P -1","-P 1","2","","","","- C14 H12 N2 O3 -","- C14 H12 N2 O3 -","- C28 H24 N4 O6 -","2","1","","Hong, Longcheng; Ahles, Sebastian; Strauss, Marcel A.; Logemann, Christian; Wegner, Hermann A.","Synthesis of 2,3-diaza-anthraquinones via the bidentate Lewis acid catalysed inverse electron-demand Diels‒Alder (IEDDA) reaction","Organic Chemistry Frontiers","2017","4","5","871","","10.1039/C7QO00172J","","","0.71073","MoKα","","0.0557","0.045","","","0.1174","0.1233","","","","","","1.084","","","","has coordinates","235994","2020-10-21","18:00:00",""
"1553764","8.7048","0.001","10.5461","0.0013","13.9946","0.0017","82.33","0.002","79.359","0.002","79.1","0.002","1233.4","0.3","293","2","293","2","","","","","","","","7","P -1","-P 1","2","","","","- C25 H22 F I2 N O2 S -","- C25 H22 F I2 N O2 S -","- C50 H44 F2 I4 N2 O4 S2 -","2","1","","Wang, Qiang; Jiang, Bo; Yu, Liu-Zhu; Wei, Yin; Shi, Min","Iron-catalyzed or iodine-induced intramolecular halocyclization of N-vinyl-tethered methylenecyclopropanes: facile access to halogenated 1,2-dihydroquinolines","Organic Chemistry Frontiers","2017","4","7","1294","","10.1039/C7QO00177K","","","0.71073","MoKα","","0.034","0.0293","","","0.0767","0.0796","","","","","","1.045","","","","has coordinates","235996","2020-10-21","18:00:00",""
"1553765","13.2671","0.0017","18.296","0.003","19.283","0.003","90","","108.684","0.003","90","","4434","1.2","293","2","293","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C25 H24 Cl N O2 S -","- C25 H24 Cl N O2 S -","- C200 H192 Cl8 N8 O16 S8 -","8","2","","Wang, Qiang; Jiang, Bo; Yu, Liu-Zhu; Wei, Yin; Shi, Min","Iron-catalyzed or iodine-induced intramolecular halocyclization of N-vinyl-tethered methylenecyclopropanes: facile access to halogenated 1,2-dihydroquinolines","Organic Chemistry Frontiers","2017","4","7","1294","","10.1039/C7QO00177K","","","0.71073","MoKα","","0.1036","0.0688","","","0.1689","0.1901","","","","","","1.04","","","","has coordinates","235996","2020-10-21","18:00:00",""
"1553766","12.112","0.003","13.064","0.003","13.586","0.003","113.51","0.02","114.37","0.02","96.715","0.018","1690.6","0.9","295","2","295","2","","","","","","","","4","P -1","-P 1","2","","","","- C18 H17 N S3 -","- C18 H17 N S3 -","- C72 H68 N4 S12 -","4","2","","Schneeweis, Arno; Neidlinger, Andreas; Reiss, Guido J.; Frank, Walter; Heinze, Katja; Müller, Thomas J. J.","Radical cation and dication of a 4H-dithieno[2,3-b:3′,2′-e][1,4]-thiazine","Organic Chemistry Frontiers","2017","4","5","839","","10.1039/C7QO00188F","","","0.71073","MoKα","","0.0962","0.0668","","","0.1361","0.1532","","","","","","1.198","","","","has coordinates","235998","2020-10-21","18:00:00",""
"1553767","9.3089","0.0019","10.692","0.002","10.826","0.002","98.78","0.004","90.325","0.004","108.111","0.004","1010.5","0.3","296","2","296","2","","","","","","","","5","P -1","-P 1","2","","","","- C26 H20 F3 N O -","- C26 H20 F3 N O -","- C52 H40 F6 N2 O2 -","2","1","","An, Yuanyuan; Zhang, Jun; Xia, Hongguang; Wu, Jie","Radical cyclization of benzene-tethered 1,7-enynes with aryldiazonium tetrafluoroborates: a facile route to benzo[j]phenanthridines","Organic Chemistry Frontiers","2017","4","7","1318","","10.1039/C7QO00193B","","","0.71073","MoKα","","0.1156","0.0615","","","0.1912","0.2556","","","","","","0.988","","","","has coordinates","236000","2020-10-21","18:00:00",""
"1553768","8.7598","0.0009","25.852","0.003","8.8958","0.0009","90","","96.431","0.002","90","","2001.9","0.4","133","2","133","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C22 H26 F2 N2 O2 -","- C22 H26 F2 N2 O2 -","- C88 H104 F8 N8 O8 -","4","1","","Liu, Kai; Sui, Lin-Chao; Jin, Qiao; Li, Deng-Yuan; Liu, Pei-Nian","CuBr-mediated radical cascade difluoroacetamidation of acrylamides using α,α-difluoro-α-(TMS)-acetamides","Organic Chemistry Frontiers","2017","4","8","1606","","10.1039/C7QO00209B","","","0.71073","MoKα","","0.0599","0.0381","","","0.0827","0.0932","","","","","","1.01","","","","has coordinates","236002","2020-10-21","18:00:00",""
"1553769","21.229","0.01","3.919","0.0019","15.628","0.008","90","","105.861","0.011","90","","1250.7","1.1","273","2","273","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C16 H11 F N2 O -","- C16 H11 F N2 O -","- C64 H44 F4 N8 O4 -","4","1","","Ding, Junshuai; Zhang, Yingchao; Li, Jizhen","Nickel-catalyzed selective C-5 fluorination of 8-aminoquinolines with NFSI","Organic Chemistry Frontiers","2017","4","8","1528","","10.1039/C7QO00211D","","","0.71073","MoKα","","0.1172","0.0737","","","0.2007","0.2307","","","","","","0.994","","","","has coordinates","236004","2020-10-21","18:00:00",""
"1553770","11.93574","0.00015","7.18231","0.00008","19.3705","0.0002","90","","94.7142","0.0011","90","","1654.94","0.03","150","0.1","150","0.1","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C20 H12 Cl3 N O0 -","- C20 H12 Cl3 N -","- C80 H48 Cl12 N4 -","4","1","","Li, Jianxiao; An, Yanni; Li, Jiawei; Yang, Shaorong; Wu, Wanqing; Jiang, Huanfeng","Palladium-catalyzed C‒S bond activation and functionalization of 3-sulfenylindoles and related electron-rich heteroarenes","Organic Chemistry Frontiers","2017","4","8","1590","","10.1039/C7QO00215G","","x-ray","1.54184","CuKα","","0.0414","0.0398","","","0.1081","0.1101","","","","","","1.057","","","","has coordinates","236006","2020-10-21","18:00:00",""
"1553771","9.8942","0.0018","11.644","0.002","20.487","0.004","87.078","0.008","78.302","0.009","68.651","0.006","2152","0.7","173.15","","173.15","","","","","","","","","5","P -1","-P 1","2","","","","- C34 H52 Cl4 N16 O2 -","- C34 H52 Cl4 N16 O2 -","- C68 H104 Cl8 N32 O4 -","2","1","","Liang, Dong-Dong; Wang, Mei-Xiang","Synthesis and conformational structure of hydrazo-bridged homo calix[2]pyridine[2]triazines","Organic Chemistry Frontiers","2017","4","7","1425","","10.1039/C7QO00221A","","","0.71073","MoKα","","0.1208","0.1118","","","0.3058","0.3152","","","","","","1.12","","","","has coordinates","236009","2020-10-21","18:00:00",""
"1553772","11.9766","0.0004","19.3355","0.0005","12.7804","0.0004","90","","114.734","0.004","90","","2688.09","0.17","173","0.1","173","0.1","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C5.33 H10 Cl0.67 Co0.33 N2.67 O4 -","- C5.33333 H10 Cl0.666667 Co0.333333 N2.66667 O4 -","- C64 H120 Cl8 Co4 N32 O48 -","12","3","","Liang, Dong-Dong; Wang, Mei-Xiang","Synthesis and conformational structure of hydrazo-bridged homo calix[2]pyridine[2]triazines","Organic Chemistry Frontiers","2017","4","7","1425","","10.1039/C7QO00221A","","x-ray","1.54184","CuKα","","0.0713","0.0627","","","0.1679","0.1785","","","","","","1.048","","","","has coordinates","236009","2020-10-21","18:00:00",""
"1553773","13.18","0.003","19.895","0.004","20.59","0.004","108.27","0.03","107.63","0.03","90.48","0.03","4854","2","173.15","","173.15","","","","","","","","","5","P -1","-P 1","2","","","","- C27 H41 N16 O3.5 S1.5 -","- C27 H41 N16 O3.5 S1.5 -","- C108 H164 N64 O14 S6 -","4","2","","Liang, Dong-Dong; Wang, Mei-Xiang","Synthesis and conformational structure of hydrazo-bridged homo calix[2]pyridine[2]triazines","Organic Chemistry Frontiers","2017","4","7","1425","","10.1039/C7QO00221A","","","0.71073","MoKα","","0.1775","0.152","","","0.4104","0.4325","","","","","","1.136","","","","has coordinates","274176","2022-03-31","10:10:26",""
"1553774","9.003","0.01","10.762","0.012","11.631","0.012","73.19","0.06","69.99","0.05","72.45","0.04","987.6","1.9","293","2","293","2","","","","","","","","6","P -1","-P 1","2","","","","- C20 H23 B F2 N2 O2 -","- C20 H23 B F2 N2 O2 -","- C40 H46 B2 F4 N4 O4 -","2","1","","Kubota, Yasuhiro; Tsukamoto, Masahiro; Ohnishi, Katsuhiro; Jin, Jiye; Funabiki, Kazumasa; Matsui, Masaki","Synthesis and fluorescence properties of novel squarylium‒boron complexes","Organic Chemistry Frontiers","2017","4","8","1522","","10.1039/C7QO00225D","","","0.71075","MoKα","","0.0802","0.0596","","","0.1648","0.1833","","","","","","1.048","","","","has coordinates","236011","2020-10-21","18:00:00",""
"1553775","8.6045","0.0006","11.4959","0.0007","10.3691","0.0006","90","","114.544","0.002","90","","933","0.1","296","2","296","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C21 H17 Cl F3 N3 -","- C21 H17 Cl F3 N3 -","- C42 H34 Cl2 F6 N6 -","2","1","","Xie, En; Rahman, Abdul; Lin, Xufeng","Asymmetric synthesis of CF3- and indole-containing tetrahydro-β-carbolines via chiral spirocyclic phosphoric acid-catalyzed aza-Friedel‒Crafts reaction","Organic Chemistry Frontiers","2017","4","7","1407","","10.1039/C7QO00229G","","","0.71073","MoKα","","0.0749","0.0341","","","0.0633","0.0903","","","","","","1.003","","","","has coordinates","236013","2020-10-21","18:00:00",""
"1553776","10.326","0.002","9.584","0.0019","19.601","0.004","90","","104.43","0.03","90","","1878.6","0.7","293","2","293","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C22 H17 I N2 -","- C22 H17 I N2 -","- C88 H68 I4 N8 -","4","1","","Liu, Cheng-Kou; Yang, Zhao; Zeng, Yu; Guo, Kai; Fang, Zheng; Li, Bo","Sodium nitrite-promoted aerobic oxidative coupling of aryl methyl ketones with ammonium under metal-free conditions: a facile access to polysubstitution imidazoles","Organic Chemistry Frontiers","2017","4","8","1508","","10.1039/C7QO00247E","","","0.71073","MoKα","","0.1106","0.0541","","","0.1168","0.137","","","","","","1","","","","has coordinates","236015","2020-10-21","18:00:00",""
"1553777","5.7817","0.0012","8.2558","0.001","19.972","0.002","90","","90","","90","","953.3","0.2","293","2","293","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C10 H12 O2 S -","- C10 H12 O2 S -","- C40 H48 O8 S4 -","4","1","","Meng, Ke; Xia, Jingzhao; Wang, Yanzhao; Zhang, Xinghua; Yang, Guoqiang; Zhang, Wanbin","Ir/BiphPHOX-catalyzed asymmetric hydrogenation of 3-substituted 2,5-dihydropyrroles and 2,5-dihydrothiophene 1,1-dioxides","Organic Chemistry Frontiers","2017","4","8","1601","","10.1039/C7QO00248C","","","1.54178","CuKα","","0.0341","0.034","","","0.0898","0.09","","","","","","1.079","","","","has coordinates","236017","2020-10-21","18:00:00",""
"1553778","11.3637","0.0004","6.0455","0.0003","11.3636","0.0004","90","","98.45","","90","","772.2","0.05","293","2","293","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C17 H19 N O2 S -","- C17 H19 N O2 S -","- C34 H38 N2 O4 S2 -","2","1","","Meng, Ke; Xia, Jingzhao; Wang, Yanzhao; Zhang, Xinghua; Yang, Guoqiang; Zhang, Wanbin","Ir/BiphPHOX-catalyzed asymmetric hydrogenation of 3-substituted 2,5-dihydropyrroles and 2,5-dihydrothiophene 1,1-dioxides","Organic Chemistry Frontiers","2017","4","8","1601","","10.1039/C7QO00248C","","","1.54178","CuKα","","0.0426","0.0352","","","0.0792","0.083","","","","","","1.047","","","","has coordinates","236017","2020-10-21","18:00:00",""
"1553779","11.0348","0.0007","21.2718","0.0012","7.2221","0.0006","90","","90","","90","","1695.2","0.2","184.3","0.3","184.3","0.3","","","","","","","","4","P c a 21","P 2c -2ac","29","","","","- C21 H16 N2 O3 -","- C21 H16 N2 O3 -","- C84 H64 N8 O12 -","4","1","","Tang, Hai-Tao; Zeng, Jia-Hao; Chen, Jun-Jia; Zhou, Yun-Bing; Li, Ren-Hao; Zhan, Zhuang-Ping","Synthesis of pyrazolo[5,1-a]isoquinolines through copper-catalyzed regioselective bicyclization of N-propargylic sulfonylhydrazones","Organic Chemistry Frontiers","2017","4","8","1513","","10.1039/C7QO00249A","","","0.71073","MoKα","","0.0713","0.061","","","0.1247","0.1292","","","","","","1.161","","","","has coordinates","236019","2020-10-21","18:00:00",""
"1553780","17.5265","0.0008","18.9585","0.0009","11.1154","0.0005","90","","120.995","0.002","90","","3166","0.3","298","2","298","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C19 H11 Cl F3 N O -","- C19 H11 Cl F3 N O -","- C152 H88 Cl8 F24 N8 O8 -","8","1","","Mishra, Kalpana; Singh, Jay Bahadur; Gupta, Tanu; Singh, Radhey M.","TBAB-catalyzed cascade reactions: facile synthesis of 1-trifluoromethyl-3-alkylidene-1,3-dihydrofuro[3,4-b]quinolines via 5-exo-dig cyclization of o-arylalkynylquinoline aldehydes","Organic Chemistry Frontiers","2017","4","10","1926","","10.1039/C7QO00273D","","","0.71073","MoKα","","0.0617","0.0439","","","0.1131","0.1244","","","","","","1.033","","","","has coordinates","236021","2020-10-21","18:00:00",""
"1553781","5.0951","0.0004","6.0539","0.0006","14.8931","0.0015","90","","90","","90","","459.38","0.07","273","2","273","2","","","","","","","","4","P n m a","-P 2ac 2n","62","N-Methylcarbamoyl","","","- C2 H4 N4 O -","- C2 H4 N4 O -","- C8 H16 N16 O4 -","4","0.5","","Wan, Huabin; Li, Hongmin; Xu, Jian; Wu, Zhuang; Liu, Qifan; Chu, Xianxu; Abe, Manabu; Bégué, Didier; Zeng, Xiaoqing","N-Methylcarbamoyl azide: spectroscopy, X-ray structure and decomposition via methylcarbamoyl nitrene","Organic Chemistry Frontiers","2017","4","9","1839","","10.1039/C7QO00277G","","","0.71073","MoKα","","0.0512","0.0451","","","0.1313","0.1346","","","","","","2.174","","","","has coordinates","236023","2020-10-21","18:00:00",""
"1553782","12.326","0.004","11.032","0.004","13.445","0.005","90","","90","","90","","1828.3","1.1","293","2","293","2","","","","","","","","4","P n a 21","P 2c -2n","33","","","","- C21 H18 F2 O4 -","- C21 H18 F2 O4 -","- C84 H72 F8 O16 -","4","1","","Li, Yuewen; Lu, Yiye; Mao, Runyu; Li, Zhiming; Wu, Jie","A photoinduced reaction of perfluoroalkyl halides with 1,3-diarylprop-2-yn-1-ones catalyzed by DABSO","Organic Chemistry Frontiers","2017","4","9","1745","","10.1039/C7QO00279C","","","0.71073","MoKα","","0.0343","0.0325","","","0.0913","0.0937","","","","","","1.076","","","","has coordinates","236025","2020-10-21","18:00:00",""
"1553783","10.7971","0.0008","15.2395","0.0013","26.1285","0.0019","90","","90","","90","","4299.2","0.6","180","0.1","180","0.1","","","","","","","","4","P b c a","-P 2ac 2ab","61","","Ph-4Br-Pyr","","- C22 H18 Br4 N2 -","- C22 H18 Br4 N2 -","- C176 H144 Br32 N16 -","8","1","","Huang, Zhe; Zhan, Ming; Zhang, Shaoguang; Luo, Qian; Zhang, Wen-Xiong; Xi, Zhenfeng","Synthesis of dibromo- and tetrabromo-bipyrrolines and their corresponding 2,6-diazasemibullvalene derivatives","Organic Chemistry Frontiers","2017","4","9","1785","","10.1039/C7QO00287D","","","0.7107","MoKα","","0.0826","0.0529","","","0.0992","0.1106","","","","","","1.065","","","","has coordinates","236027","2020-10-21","18:00:00",""
"1553784","6.6642","0.0004","19.8278","0.0016","14.8224","0.001","90","","101.924","0.007","90","","1916.3","0.2","180.01","0.1","180.01","0.1","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","tBu-2Br-NSBV-re","","- C18 H26 Br2 N2 -","- C18 H26 Br2 N2 -","- C72 H104 Br8 N8 -","4","1","","Huang, Zhe; Zhan, Ming; Zhang, Shaoguang; Luo, Qian; Zhang, Wen-Xiong; Xi, Zhenfeng","Synthesis of dibromo- and tetrabromo-bipyrrolines and their corresponding 2,6-diazasemibullvalene derivatives","Organic Chemistry Frontiers","2017","4","9","1785","","10.1039/C7QO00287D","","","0.71073","MoKα","","0.0978","0.0537","","","0.1172","0.132","","","","","","1.028","","","","has coordinates","236027","2020-10-21","18:00:00",""
"1553785","23.66","0.002","10.2673","0.001","10.5398","0.001","90","","90","","90","","2560.4","0.4","296","2","296","2","","","","","","","","6","P 21 21 2","P 2 2ab","18","","","","- C26 H25 F3 N O S -","- C26 H25 F3 N O S -","- C104 H100 F12 N4 O4 S4 -","4","1","","Liu, Bing; Zhang, Zhan-Ming; Xu, Bing; Xu, Shan; Wu, Hai-Hong; Liu, Yuanyuan; Zhang, Junliang","Cu(i)-catalyzed Michael addition of ketiminoesters to β-trifluoromethyl β,β-disubstituted enones: rapid access to 1-pyrrolines bearing a quaternary all-carbon stereocenter","Organic Chemistry Frontiers","2017","4","9","1772","","10.1039/C7QO00291B","","","0.71073","MoKα","","0.0783","0.0617","","","0.1818","0.195","","","","","","1.098","","","","has coordinates","236029","2020-10-21","18:00:00",""
"1553786","8.5817","0.0002","10.4128","0.0003","27.6259","0.0007","90","","90","","90","","2468.64","0.11","296","2","296","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C27 H23 Cl F3 N O3 -","- C27 H23 Cl F3 N O3 -","- C108 H92 Cl4 F12 N4 O12 -","4","1","","Liu, Bing; Zhang, Zhan-Ming; Xu, Bing; Xu, Shan; Wu, Hai-Hong; Liu, Yuanyuan; Zhang, Junliang","Cu(i)-catalyzed Michael addition of ketiminoesters to β-trifluoromethyl β,β-disubstituted enones: rapid access to 1-pyrrolines bearing a quaternary all-carbon stereocenter","Organic Chemistry Frontiers","2017","4","9","1772","","10.1039/C7QO00291B","","","0.71073","MoKα","","0.0445","0.034","","","0.077","0.0828","","","","","","1.054","","","","has coordinates","236029","2020-10-21","18:00:00",""
"1553787","6.2282","0.0002","7.0351","0.0002","36.2461","0.0013","90","","90","","90","","1588.16","0.09","296","2","296","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C15 H16 F3 N O2 S -","- C15 H16 F3 N O2 S -","- C60 H64 F12 N4 O8 S4 -","4","1","","Liu, Bing; Zhang, Zhan-Ming; Xu, Bing; Xu, Shan; Wu, Hai-Hong; Liu, Yuanyuan; Zhang, Junliang","Cu(i)-catalyzed Michael addition of ketiminoesters to β-trifluoromethyl β,β-disubstituted enones: rapid access to 1-pyrrolines bearing a quaternary all-carbon stereocenter","Organic Chemistry Frontiers","2017","4","9","1772","","10.1039/C7QO00291B","","","0.71073","MoKα","","0.0481","0.0415","","","0.1071","0.1119","","","","","","1.06","","","","has coordinates","236029","2020-10-21","18:00:00",""
"1553788","12.9056","0.0003","8.981","0.0002","20.4045","0.0005","90","","106.848","0.003","90","","2263.48","0.1","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C28 H21 N2 O2 P -","- C28 H21 N2 O2 P -","- C112 H84 N8 O8 P4 -","4","1","","Qiao, Huijie; Sun, Suyan; Zhang, Yue; Zhu, Hongmei; Yu, Xiaomeng; Yang, Fan; Wu, Yusheng; Li, Zhongxian; Wu, Yangjie","Merging photoredox catalysis with transition metal catalysis: site-selective C4 or C5-H phosphonation of 8-aminoquinoline amides","Organic Chemistry Frontiers","2017","4","10","1981","","10.1039/C7QO00305F","","x-ray","1.54184","CuKα","","0.0506","0.0412","","","0.1062","0.1138","","","","","","1.041","","","","has coordinates","236032","2020-10-21","18:00:00",""
"1553789","14.3374","0.0005","9.71","0.0004","18.7718","0.0007","90","","105.341","0.004","90","","2520.22","0.17","293","2","293","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C28 H21 N2 O2 P -","- C28 H21 N2 O2 P -","- C112 H84 N8 O8 P4 -","4","1","","Qiao, Huijie; Sun, Suyan; Zhang, Yue; Zhu, Hongmei; Yu, Xiaomeng; Yang, Fan; Wu, Yusheng; Li, Zhongxian; Wu, Yangjie","Merging photoredox catalysis with transition metal catalysis: site-selective C4 or C5-H phosphonation of 8-aminoquinoline amides","Organic Chemistry Frontiers","2017","4","10","1981","","10.1039/C7QO00305F","","x-ray","1.54184","CuKα","","0.0561","0.0467","","","0.1343","0.1436","","","","","","1.049","","","","has coordinates","236032","2020-10-21","18:00:00",""
"1553790","9.5853","0.0009","9.8739","0.0008","14.7007","0.0014","103.11","0.008","94.035","0.008","114.371","0.008","1213.1","0.2","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C29 H23 N2 O3 P -","- C29 H23 N2 O3 P -","- C58 H46 N4 O6 P2 -","2","1","","Qiao, Huijie; Sun, Suyan; Zhang, Yue; Zhu, Hongmei; Yu, Xiaomeng; Yang, Fan; Wu, Yusheng; Li, Zhongxian; Wu, Yangjie","Merging photoredox catalysis with transition metal catalysis: site-selective C4 or C5-H phosphonation of 8-aminoquinoline amides","Organic Chemistry Frontiers","2017","4","10","1981","","10.1039/C7QO00305F","","x-ray","1.54184","CuKα","","0.0583","0.0467","","","0.1246","0.136","","","","","","1.021","","","","has coordinates","236032","2020-10-21","18:00:00",""
"1553791","11.9961","0.0005","8.631","0.0003","21.6563","0.0007","90","","95.014","0.004","90","","2233.68","0.14","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C28 H21 N2 O2 P -","- C28 H21 N2 O2 P -","- C112 H84 N8 O8 P4 -","4","1","","Qiao, Huijie; Sun, Suyan; Zhang, Yue; Zhu, Hongmei; Yu, Xiaomeng; Yang, Fan; Wu, Yusheng; Li, Zhongxian; Wu, Yangjie","Merging photoredox catalysis with transition metal catalysis: site-selective C4 or C5-H phosphonation of 8-aminoquinoline amides","Organic Chemistry Frontiers","2017","4","10","1981","","10.1039/C7QO00305F","","x-ray","1.54184","CuKα","","0.0494","0.0406","","","0.1051","0.1133","","","","","","1.058","","","","has coordinates","236032","2020-10-21","18:00:00",""
"1553792","9.0757","0.0002","10.4623","0.0002","26.2445","0.0005","90","","90","","90","","2491.99","0.09","290","2","290","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C33 H27 O2 P -","- C33 H27 O2 P -","- C132 H108 O8 P4 -","4","1","","Li, Bin; Zhang, Mingkai; Huang, Xulun; Gu, Zhenhua","Synthesis of 2,3-dihydro-1H-phosphindole-1-oxides via the t-BuLi-mediated rearrangement of vinyl bromides and phosphine oxides","Organic Chemistry Frontiers","2017","4","9","1854","","10.1039/C7QO00310B","","","1.54184","CuKα","","0.0326","0.0313","","","0.0828","0.0843","","","","","","1.046","","","","has coordinates","236035","2020-10-21","18:00:00",""
"1553793","12.3885","0.0001","18.8197","0.0002","10.4583","0.0001","90","","103.828","0.001","90","","2367.66","0.04","291","2","291","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C32 H25 O P -","- C32 H25 O P -","- C128 H100 O4 P4 -","4","1","","Li, Bin; Zhang, Mingkai; Huang, Xulun; Gu, Zhenhua","Synthesis of 2,3-dihydro-1H-phosphindole-1-oxides via the t-BuLi-mediated rearrangement of vinyl bromides and phosphine oxides","Organic Chemistry Frontiers","2017","4","9","1854","","10.1039/C7QO00310B","","","1.54184","CuKα","","0.0402","0.0375","","","0.1027","0.1053","","","","","","1.056","","","","has coordinates","236035","2020-10-21","18:00:00",""
"1553794","10.0442","0.0004","10.4197","0.0004","11.9542","0.0005","84.471","0.002","84.954","0.002","75.059","0.002","1200.58","0.08","100","2","100","2","","","","","","","","4","P -1","-P 1","2","","","","- C28 H33 B O4 -","- C28 H33 B O4 -","- C56 H66 B2 O8 -","2","1","","Hsieh, Jen-Chieh; Hong, Ya-Chun; Yang, Chun-Ming; Mannathan, Subramaniyan; Cheng, Chien-Hong","Nickel-catalyzed highly chemo- and stereoselective borylative cyclization of 1,6-enynes with bis(pinacolato)diboron","Organic Chemistry Frontiers","2017","4","8","1615","","10.1039/C7QO00321H","","","0.71073","MoKα","","0.0726","0.052","","","0.1247","0.1392","","","","","","1.046","","","","has coordinates,has disorder","236037","2020-10-21","18:00:00",""
"1553795","22.0623","0.0004","14.5144","0.0003","5.67392","0.0001","90","","90","","90","","1816.91","0.06","294.08","0.1","294.08","0.1","","","","","","","","4","P 21 21 2","P 2 2ab","18","","","","- C19 H19 Br O6 -","- C19 H19 Br O6 -","- C76 H76 Br4 O24 -","4","1","","Hao, Xiaoyu; Lin, Lili; Tan, Fei; Ge, Shulin; Liu, Xiaohua; Feng, Xiaoming","Asymmetric synthesis of chromans via the Friedel‒Crafts alkylation‒hemiketalization catalysed by an N,N′-dioxide scandium(iii) complex","Organic Chemistry Frontiers","2017","4","8","1647","","10.1039/C7QO00323D","","x-ray","1.54184","CuKα","","0.0429","0.042","","","0.1027","0.1042","","","","","","1.071","","","","has coordinates","236039","2020-10-21","18:00:00",""
"1553796","10.4368","0.0004","6.0294","0.0002","15.7294","0.0005","90","","107.537","0.004","90","","943.81","0.06","200","1","200","1","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C21 H18 Br N O3 -","- C21 H18 Br N O3 -","- C42 H36 Br2 N2 O6 -","2","1","","De Munck, Lode; Sukowski, Verena; Vila, Carlos; Muñoz, M. Carmen; Pedro, José R.","Catalytic enantioselective aza-Reformatsky reaction with seven-membered cyclic imines dibenzo[b,f][1,4]oxazepines","Organic Chemistry Frontiers","2017","4","8","1624","","10.1039/C7QO00329C","","","0.71073","MoKα","","0.0494","0.0362","","","0.0782","0.0855","","","","","","0.969","","","","has coordinates","236041","2020-10-21","18:00:00",""
"1553797","9.17425","0.00019","7.88736","0.00013","21.7312","0.0004","90","","99.3556","0.0019","90","","1551.57","0.05","100.01","0.1","100.01","0.1","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C20 H13 F N2 O -","- C20 H13 F N2 O -","- C80 H52 F4 N8 O4 -","4","1","","Ren, Xuhong; Wang, Qiyang; Yu, Wenjia; Zhan, Xiaoyu; Yao, Yishan; Qin, Bingjie; Dong, Mingxin; He, Xinhua","Photoredox catalytic intramolecular imine C‒H bond functionalization using ligand free Cu(ii) salts","Organic Chemistry Frontiers","2017","4","10","2022","","10.1039/C7QO00348J","","x-ray","1.54184","CuKα","","0.0399","0.0374","","","0.0987","0.1009","","","","","","1.051","","","","has coordinates,has disorder","236043","2020-10-21","18:00:00",""
"1553798","7.6272","0.0007","13.3952","0.0013","11.846","0.0012","90","","90.87","0.003","90","","1210.1","0.2","296","2","296","2","","","","","","","","4","C 1 c 1","C -2yc","9","","2,4,9-trinitro-2,4,9-triazaadamantane-7-yl nitrate","","- C7 H9 N7 O9 -","- C7 H9 N7 O9 -","- C28 H36 N28 O36 -","4","1","","Hou, Tianjiao; Zhang, Jian; Wang, Chenjiao; Luo, Jun","A facile method to construct a 2,4,9-triazaadamantane skeleton and synthesize nitramine derivatives","Organic Chemistry Frontiers","2017","4","9","1819","","10.1039/C7QO00357A","","","0.71073","MoKα","","0.0262","0.0256","","","0.0682","0.0686","","","","","","1.058","","","","has coordinates","236045","2020-10-21","18:00:00",""
"1553799","15.7593","0.0003","6.7689","0.0002","21.0839","0.0004","90","","104.622","0.001","90","","2176.24","0.09","200","2","200","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C21 H40 O3 Si -","- C21 H40 O3 Si -","- C84 H160 O12 Si4 -","4","1","","Tugny, Coralie; Khaled, Omar; Derat, Etienne; Goddard, Jean-Philippe; Mouriès-Mansuy, Virginie; Fensterbank, Louis","Gold(i)-catalyzed access to neomerane skeletons","Organic Chemistry Frontiers","2017","4","10","1906","","10.1039/C7QO00360A","","","1.54178","CuKα","","0.0464","0.0372","","","0.0941","0.0995","","","","","","1.04","","","","has coordinates","236048","2020-10-21","18:00:00",""
"1553800","8.7959","0.0005","10.4916","0.0006","13.2932","0.0008","70.468","0.002","74.252","0.002","71.371","0.002","1076.8","0.11","200","1","200","1","","","","","","","","4","P -1","-P 1","2","","","","- C22 H26 N4 O6 -","- C22 H26 N4 O6 -","- C44 H52 N8 O12 -","2","1","","Tugny, Coralie; Khaled, Omar; Derat, Etienne; Goddard, Jean-Philippe; Mouriès-Mansuy, Virginie; Fensterbank, Louis","Gold(i)-catalyzed access to neomerane skeletons","Organic Chemistry Frontiers","2017","4","10","1906","","10.1039/C7QO00360A","","","0.71073","MoKα","","0.0542","0.0453","","","0.1248","0.1323","","","","","","1.036","","","","has coordinates,has disorder","236048","2020-10-21","18:00:00",""
"1553801","15.8792","0.0005","7.383","0.0003","18.5839","0.0007","90","","94.011","0.002","90","","2173.37","0.14","200","2","200","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C22 H26 N4 O6 -","- C22 H26 N4 O6 -","- C88 H104 N16 O24 -","4","1","","Tugny, Coralie; Khaled, Omar; Derat, Etienne; Goddard, Jean-Philippe; Mouriès-Mansuy, Virginie; Fensterbank, Louis","Gold(i)-catalyzed access to neomerane skeletons","Organic Chemistry Frontiers","2017","4","10","1906","","10.1039/C7QO00360A","","","1.54178","CuKα","","0.063","0.05","","","0.1208","0.1289","","","","","","1.034","","","","has coordinates","236048","2020-10-21","18:00:00",""
"1553802","19.2372","0.0012","19.7853","0.0013","12.577","0.0007","90","","107.983","0.003","90","","4553.1","0.5","200","1","200","1","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C22 H26 N4 O6 -","- C22 H26 N4 O6 -","- C176 H208 N32 O48 -","8","2","","Tugny, Coralie; Khaled, Omar; Derat, Etienne; Goddard, Jean-Philippe; Mouriès-Mansuy, Virginie; Fensterbank, Louis","Gold(i)-catalyzed access to neomerane skeletons","Organic Chemistry Frontiers","2017","4","10","1906","","10.1039/C7QO00360A","","","1.54178","CuKα","","0.0851","0.0689","","","0.2013","0.2182","","","","","","1.066","","","","has coordinates","236048","2020-10-21","18:00:00",""
"1553803","15.0743","0.0003","6.8149","0.0001","21.2545","0.0004","90","","92.709","0.001","90","","2181.03","0.07","200","2","200","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C21 H38 O3 Si -","- C21 H38 O3 Si -","- C84 H152 O12 Si4 -","4","1","","Tugny, Coralie; Khaled, Omar; Derat, Etienne; Goddard, Jean-Philippe; Mouriès-Mansuy, Virginie; Fensterbank, Louis","Gold(i)-catalyzed access to neomerane skeletons","Organic Chemistry Frontiers","2017","4","10","1906","","10.1039/C7QO00360A","","","0.71073","MoKα","","0.053","0.0386","","","0.1032","0.1112","","","","","","1.027","","","","has coordinates","236048","2020-10-21","18:00:00",""
"1553804","12.0087","0.0006","17.7464","0.0007","12.6045","0.0007","90","","103.892","0.005","90","","2607.6","0.2","293","2","293.15","","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C28 H29 I O4 S -","- C28 H29 I O4 S -","- C112 H116 I4 O16 S4 -","4","1","","Miao, Maozhong; Xu, Huaping; Luo, Yi; Jin, Mengchao; Chen, Zhengkai; Xu, Jianfeng; Ren, Hongjun","A modular approach to highly functionalized 3-sulfonylfurans via conjugate addition of 3-cyclopropylideneprop-2-en-1-ones with sodium sulfinates and sequential 5-endo-trig iodocyclization","Organic Chemistry Frontiers","2017","4","9","1824","","10.1039/C7QO00362E","","","0.71073","MoKα","","0.0879","0.0665","","","0.1759","0.1906","","","","","","1.049","","","","has coordinates,has disorder","236050","2020-10-21","18:00:00",""
"1553805","9.8395","0.0017","10.7013","0.0019","10.8636","0.0019","114.335","0.002","94.477","0.002","116.312","0.002","885.4","0.3","296.15","","296.15","","","","","","","","","3","P -1","-P 1","2","","","","- C22 H20 O3 -","- C22 H20 O3 -","- C44 H40 O6 -","2","1","","Shi, Xiaonan; He, Yan; Zhang, Xinying; Fan, Xuesen","Selective syntheses of diversely substituted 2-hydroxy-4′-hydroxybenzophenones through [4 + 2] or [3 + 3] annulation of penta-3,4-dien-2-ones with 3-formylchromones","Organic Chemistry Frontiers","2017","4","10","1967","","10.1039/C7QO00366H","","x-ray","0.71073","MoKα","","0.0628","0.0473","","","0.1274","0.1434","","","","","","1.029","","","","has coordinates","236052","2020-10-21","18:00:00",""
"1553806","8.8173","0.0004","14.3926","0.0007","15.3659","0.0007","90","","90","","90","","1949.99","0.16","105.8","","105.8","","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C22 H19 N O5 S -","- C22 H19 N O5 S -","- C88 H76 N4 O20 S4 -","4","1","","Xie, Lei; Ma, Hongli; Li, Jiaqi; Yu, Yuan; Qin, Zhaohai; Fu, Bin","Ni(ii)-Catalyzed enantioselective Mukaiyama‒Mannich reaction between silyl enol ethers and cyclic N-sulfonyl α-ketiminoesters","Organic Chemistry Frontiers","2017","4","9","1858","","10.1039/C7QO00370F","","","1.5418","CuKα","","0.0275","0.0271","","","0.0686","0.0689","","","","","","1.061","","","","has coordinates","236054","2020-10-21","18:00:00",""
"1553807","8.2203","0.0005","9.1263","0.0005","13.0906","0.0007","90","","102.302","0.006","90","","959.52","0.1","106.3","","106.3","","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C21 H23 N O5 S -","- C21 H23 N O5 S -","- C42 H46 N2 O10 S2 -","2","1","","Xie, Lei; Ma, Hongli; Li, Jiaqi; Yu, Yuan; Qin, Zhaohai; Fu, Bin","Ni(ii)-Catalyzed enantioselective Mukaiyama‒Mannich reaction between silyl enol ethers and cyclic N-sulfonyl α-ketiminoesters","Organic Chemistry Frontiers","2017","4","9","1858","","10.1039/C7QO00370F","","","1.5418","CuKα","","0.0372","0.0366","","","0.0978","0.0986","","","","","","1.032","","","","has coordinates","236054","2020-10-21","18:00:00",""
"1553808","29.3492","0.0015","12.5025","0.0006","25.3876","0.0013","90","","113.65","0.003","90","","8533.3","0.8","293","2","293","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C62 H102 Cl8 N26 O21 Zn2 -","- C62 H82 Cl8 N26 O12 Zn2 -","- C248 H328 Cl32 N104 O48 Zn8 -","4","0.5","","Qu, Yun-Xia; Lin, Rui-Lian; Zhang, Yun-Qian; Zhou, Kai-Zhi; Zhou, Qing-Di; Zhu, Qian-Jiang; Tao, Zhu; Ma, Pei-Hua; Liu, Jing-Xin; Wei, Gang","Endo/exo binding of alkyl and aryl diammonium ions by cyclopentanocucurbit[6]uril","Organic Chemistry Frontiers","2017","4","9","1799","","10.1039/C7QO00376E","","","0.71073","MoKα","","0.0891","0.077","","","0.2427","0.253","","","","","","1.085","","","","has coordinates","236056","2020-10-21","18:00:00",""
"1553809","27.52","0.003","17.25","0.003","18.358","0.003","90","","94.006","0.007","90","","8694","2","293","2","293","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C60 H68 Cl8 N26 O28 Zn2 -","- C60 H70 Cl8 N26 O12 Zn2 -","- C240 H280 Cl32 N104 O48 Zn8 -","4","0.5","","Qu, Yun-Xia; Lin, Rui-Lian; Zhang, Yun-Qian; Zhou, Kai-Zhi; Zhou, Qing-Di; Zhu, Qian-Jiang; Tao, Zhu; Ma, Pei-Hua; Liu, Jing-Xin; Wei, Gang","Endo/exo binding of alkyl and aryl diammonium ions by cyclopentanocucurbit[6]uril","Organic Chemistry Frontiers","2017","4","9","1799","","10.1039/C7QO00376E","","","0.71073","MoKα","","0.1071","0.0703","","","0.2108","0.2315","","","","","","1.079","","","","has coordinates","236056","2020-10-21","18:00:00",""
"1553810","12.2894","0.0018","12.4667","0.0017","14.986","0.002","73.289","0.004","84.747","0.004","62.451","0.004","1947.4","0.5","293","2","293","2","","","","","","","","6","P -1","-P 1","2","","","","- C58 H94 Cl6 N26 O22 Zn2 -","- C58 H74 Cl6 N26 O14 Zn2 -","- C58 H74 Cl6 N26 O14 Zn2 -","1","0.5","","Qu, Yun-Xia; Lin, Rui-Lian; Zhang, Yun-Qian; Zhou, Kai-Zhi; Zhou, Qing-Di; Zhu, Qian-Jiang; Tao, Zhu; Ma, Pei-Hua; Liu, Jing-Xin; Wei, Gang","Endo/exo binding of alkyl and aryl diammonium ions by cyclopentanocucurbit[6]uril","Organic Chemistry Frontiers","2017","4","9","1799","","10.1039/C7QO00376E","","","0.71073","MoKα","","0.076","0.053","","","0.1377","0.1484","","","","","","1.055","","","","has coordinates","236056","2020-10-21","18:00:00",""
"1553811","12.298","0.003","12.903","0.003","15.662","0.003","75.259","0.003","70.211","0.003","76.684","0.003","2233","0.9","273","2","273","2","","","","","","","","6","P -1","-P 1","2","","","","- C60 H112 Cl10 N26 O28 Zn2 -","- C60 H78 Cl10 N26 O12 Zn2 -","- C60 H78 Cl10 N26 O12 Zn2 -","1","0.5","","Qu, Yun-Xia; Lin, Rui-Lian; Zhang, Yun-Qian; Zhou, Kai-Zhi; Zhou, Qing-Di; Zhu, Qian-Jiang; Tao, Zhu; Ma, Pei-Hua; Liu, Jing-Xin; Wei, Gang","Endo/exo binding of alkyl and aryl diammonium ions by cyclopentanocucurbit[6]uril","Organic Chemistry Frontiers","2017","4","9","1799","","10.1039/C7QO00376E","","","0.71073","MoKα","","0.0667","0.0576","","","0.1827","0.1918","","","","","","1.007","","","","has coordinates","236056","2020-10-21","18:00:00",""
"1553812","12.315","0.004","12.875","0.004","15.525","0.006","75.131","0.011","70.361","0.011","77.82","0.01","2219.6","1.3","296","2","296","2","","","","","","","","6","P -1","-P 1","2","","","","- C62 H108 Cl10 N26 O28 Zn2 -","- C62 H74 Cl10 N26 O22 Zn2 -","- C62 H74 Cl10 N26 O22 Zn2 -","1","0.5","","Qu, Yun-Xia; Lin, Rui-Lian; Zhang, Yun-Qian; Zhou, Kai-Zhi; Zhou, Qing-Di; Zhu, Qian-Jiang; Tao, Zhu; Ma, Pei-Hua; Liu, Jing-Xin; Wei, Gang","Endo/exo binding of alkyl and aryl diammonium ions by cyclopentanocucurbit[6]uril","Organic Chemistry Frontiers","2017","4","9","1799","","10.1039/C7QO00376E","","","0.71073","MoKα","","0.1104","0.0836","","","0.2457","0.2745","","","","","","1.003","","","","has coordinates","236056","2020-10-21","18:00:00",""
"1553813","5.095","0.008","12.261","0.019","17","0.03","73.395","0.018","81.56","0.02","78.69","0.02","993","3","273","2","273","2","","","","","","","","5","P -1","-P 1","2","","","","- C21 H21 Br N2 O2 -","- C21 H19.5 Br N2 O2 -","- C42 H39 Br2 N4 O4 -","2","1","","Yan, Hao; Li, Xincheng; Wang, Chunxiang; Wan, Boshun","Silver-catalyzed cyclization of nitrones with 2-azetine: a radical approach to 2,3-disubstituted quinolines","Organic Chemistry Frontiers","2017","4","9","1833","","10.1039/C7QO00405B","","","0.71073","MoKα","","0.2545","0.0911","","","0.2098","0.2887","","","","","","0.963","","","","has coordinates,has disorder","236058","2020-10-21","18:00:00",""
"1553814","6.1408","0.0017","10.54","0.003","16.567","0.005","87.399","0.007","81.181","0.006","79.922","0.006","1043.1","0.5","293","2","293","2","","","","","","","","4","P -1","-P 1","2","","","","- C22 H26 N2 O4 -","- C22 H26 N2 O4 -","- C44 H52 N4 O8 -","2","1","","Yan, Hao; Li, Xincheng; Wang, Chunxiang; Wan, Boshun","Silver-catalyzed cyclization of nitrones with 2-azetine: a radical approach to 2,3-disubstituted quinolines","Organic Chemistry Frontiers","2017","4","9","1833","","10.1039/C7QO00405B","","","0.71073","MoKα","","0.1062","0.0721","","","0.1651","0.1818","","","","","","1.081","","","","has coordinates","236058","2020-10-21","18:00:00",""
"1553815","6.82668","0.00015","9.4989","0.0002","34.5079","0.001","90","","90","","90","","2237.7","0.09","293.49","0.15","293.49","0.15","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C23 H23 Cl O7 -","- C23 H23 Cl O7 -","- C92 H92 Cl4 O28 -","4","1","","Yao, Qian; Lin, Lili; Zhang, Hang; Yu, Han; Xiong, Qian; Liu, Xiaohua; Feng, Xiaoming","The asymmetric synthesis of multisubstituted diquinanes via the domino reaction of electron-deficient enynes","Organic Chemistry Frontiers","2017","4","10","2012","","10.1039/C7QO00408G","","x-ray","1.54184","CuKα","","0.0575","0.0535","","","0.1492","0.1553","","","","","","1.044","","","","has coordinates","236060","2020-10-21","18:00:00",""
"1553816","7.8333","0.0001","8.7742","0.0002","23.1441","0.0004","90","","95.475","0.001","90","","1583.46","0.05","100","2","100","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C19 H17 N O3 S -","- C19 H17 N O3 S -","- C76 H68 N4 O12 S4 -","4","1","","De Nisi, A.; Sierra, S.; Ferrara, M.; Monari, M.; Bandini, M.","TBAF catalyzed one-pot synthesis of allenyl-indoles","Organic Chemistry Frontiers","2017","4","9","1849","","10.1039/C7QO00414A","","","0.71073","MoKα","","0.0466","0.0328","","","0.0849","0.0909","","","","","","1.235","","","","has coordinates","236062","2020-10-21","18:00:00",""
"1553817","8.5679","0.0012","12.3701","0.0014","18.181","0.003","83.843","0.007","89.595","0.012","80.871","0.009","1891.4","0.5","296","2","296","2","","","","","","","","6","P 1","P 1","1","","","","- C20 H16 F3 N O3 S -","- C20 H15 F3 N O3 S -","- C80 H60 F12 N4 O12 S4 -","4","4","","De Nisi, A.; Sierra, S.; Ferrara, M.; Monari, M.; Bandini, M.","TBAF catalyzed one-pot synthesis of allenyl-indoles","Organic Chemistry Frontiers","2017","4","9","1849","","10.1039/C7QO00414A","","","0.71073","MoKα","","0.2446","0.0738","","","0.1707","0.2621","","","","","","0.892","","","","has coordinates","236062","2020-10-21","18:00:00",""
"1553818","14.884","0.002","4.3831","0.0006","27.39","0.003","90","","117.921","0.006","90","","1578.9","0.4","296","2","296","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C15 H10 I2 O4 -","- C15 H10 I2 O4 -","- C60 H40 I8 O16 -","4","1","","Tang, Yang; Yu, Qiong; Ma, Shengming","Efficient trifluoromethylation via the cyclopropanation of allenes and subsequent C‒C bond cleavage","Organic Chemistry Frontiers","2017","4","9","1762","","10.1039/C7QO00419B","","","0.71073","MoKα","","0.1052","0.0835","","","0.1766","0.1859","","","","","","1.14","","","","has coordinates","236064","2020-10-21","18:00:00",""
"1553819","14.9433","0.0006","9.3141","0.0004","17.6377","0.0006","90","","102.36","0.001","90","","2397.98","0.16","173","2","173","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C25 H26 F3 N O5 -","- C25 H26 F3 N O5 -","- C100 H104 F12 N4 O20 -","4","1","","Tang, Yang; Yu, Qiong; Ma, Shengming","Efficient trifluoromethylation via the cyclopropanation of allenes and subsequent C‒C bond cleavage","Organic Chemistry Frontiers","2017","4","9","1762","","10.1039/C7QO00419B","","","0.71073","MoKα","","0.0948","0.0494","","","0.1183","0.1463","","","","","","1.016","","","","has coordinates","236064","2020-10-21","18:00:00",""
"1553820","15.6855","0.0006","9.6366","0.0003","13.4345","0.0005","90","","96.4","0.001","90","","2018.03","0.12","173","2","173","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C21 H24 F3 N O4 -","- C21 H24 F3 N O4 -","- C84 H96 F12 N4 O16 -","4","1","","Tang, Yang; Yu, Qiong; Ma, Shengming","Efficient trifluoromethylation via the cyclopropanation of allenes and subsequent C‒C bond cleavage","Organic Chemistry Frontiers","2017","4","9","1762","","10.1039/C7QO00419B","","","0.71073","MoKα","","0.0632","0.0424","","","0.1036","0.1171","","","","","","1.021","","","","has coordinates","236064","2020-10-21","18:00:00",""
"1553821","8.577","0.0004","11.253","0.0005","11.3999","0.0005","83.261","0.001","69.715","0.001","68.411","0.001","959.58","0.08","173","2","173","2","","","","","","","","4","P -1","-P 1","2","","","","- C19 H21 F3 O5 -","- C19 H21 F3 O5 -","- C38 H42 F6 O10 -","2","1","","Tang, Yang; Yu, Qiong; Ma, Shengming","Efficient trifluoromethylation via the cyclopropanation of allenes and subsequent C‒C bond cleavage","Organic Chemistry Frontiers","2017","4","9","1762","","10.1039/C7QO00419B","","","0.71073","MoKα","","0.074","0.0615","","","0.1764","0.1907","","","","","","1.082","","","","has coordinates","236064","2020-10-21","18:00:00",""
"1553822","16.2553","0.0002","8.3116","0.0001","24.8996","0.0004","90","","90","","90","","3364.12","0.08","295","2","295","2","","","","","","","","4","P c a 21","P 2c -2ac","29","","","","- C19 H15 N3 O4 -","- C19 H15 N3 O4 -","- C152 H120 N24 O32 -","8","2","","Krylov, Igor B.; Paveliev, Stanislav A.; Shelimov, Boris N.; Lokshin, Boris V.; Garbuzova, Irina A.; Tafeenko, Viktor A.; Chernyshev, Vladimir V.; Budnikov, Alexander S.; Nikishin, Gennady I.; Terent'ev, Alexander O.","Selective cross-dehydrogenative C‒O coupling of N-hydroxy compounds with pyrazolones. Introduction of the diacetyliminoxyl radical into the practice of organic synthesis","Organic Chemistry Frontiers","2017","4","10","1947","","10.1039/C7QO00447H","","","1.54186","CuKα","","0.078","0.0593","","","0.1415","0.1484","","","","","","0.893","","","","has coordinates","236066","2020-10-21","18:00:00",""
"1553823","25.317","0.004","8.8649","0.0015","22.042","0.004","90","","120.571","0.002","90","","4259.3","1.3","100","","100","","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C24 H21 F2 O3 P -","- C24 H21 F2 O3 P -","- C192 H168 F16 O24 P8 -","8","1","","Zhang, Pengbo; Ying, Jianxi; Tang, Guo; Zhao, Yufen","Phosphinodifluoroalkylation of alkynes using P(O)H compounds and ethyl difluoroiodoacetate","Organic Chemistry Frontiers","2017","4","10","2054","","10.1039/C7QO00466D","","","0.71073","MoKα","","0.054","0.049","","","0.1296","0.1347","","","","","","1.0601","","","","has coordinates,has disorder","236068","2020-10-21","18:00:00",""
"1553824","7.75","0.001","20.882","0.003","14.5149","0.0019","90","","93.914","0.003","90","","2343.5","0.5","293","2","293","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C26 H28 N2 O5 -","- C26 H28 N2 O5 -","- C104 H112 N8 O20 -","4","1","","Yang, Minghua; Zhang, Shusheng; Zhang, Xiang; Wang, Haoyang; Zhang, Fang; Hou, Yuting; Su, Yue; Guo, Yinlong","An unexpected acid-catalyzed decomposition reaction of cilnidipine and pranidipine to the decarboxylative bridged tricyclic products via cascade rearrangements","Organic Chemistry Frontiers","2017","4","11","2163","","10.1039/C7QO00496F","","","0.71073","MoKα","","0.1081","0.0778","","","0.1691","0.1841","","","","","","1.134","","","","has coordinates,has disorder","236070","2020-10-21","18:00:00",""
"1553825","9.6871","0.0007","14.029","0.0007","23.8866","0.0017","90","","90.258","0.006","90","","3246.2","0.4","289.9","0.3","289.9","0.3","","","","","","","","3","I 1 2/a 1","-I 2ya","15","","","","- C18 H22 O5 -","- C18 H22 O5 -","- C144 H176 O40 -","8","1","","Sun, Haiyu; Xu, Shiyan; Xing, Zhimin; Liu, Lin; Feng, Shangbiao; Fang, Bowen; Xie, Xingang; She, Xuegong","Rapid construction of complex tetracyclic frameworks via a gold(i)-catalyzed tandem 1,2-acyloxy migration/[3 + 2] cycloaddition/Friedel‒Crafts type cyclization reaction of linear enynyl esters","Organic Chemistry Frontiers","2017","4","11","2109","","10.1039/C7QO00511C","","","0.7107","MoKα","","0.0806","0.0545","","","0.1326","0.1516","","","","","","1.093","","","","has coordinates","236073","2020-10-21","18:00:00",""
"1553826","10.2811","0.0005","28.3515","0.0009","12.9191","0.0005","90","","103.741","0.005","90","","3657.9","0.3","291.08","0.1","291.08","0.1","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C20 H26 O6 -","- C20 H26 O6 -","- C160 H208 O48 -","8","2","","Sun, Haiyu; Xu, Shiyan; Xing, Zhimin; Liu, Lin; Feng, Shangbiao; Fang, Bowen; Xie, Xingang; She, Xuegong","Rapid construction of complex tetracyclic frameworks via a gold(i)-catalyzed tandem 1,2-acyloxy migration/[3 + 2] cycloaddition/Friedel‒Crafts type cyclization reaction of linear enynyl esters","Organic Chemistry Frontiers","2017","4","11","2109","","10.1039/C7QO00511C","","","0.7107","MoKα","","0.1557","0.0668","","","0.1262","0.1747","","","","","","1.026","","","","has coordinates,has disorder","236073","2020-10-21","18:00:00",""
"1553827","22.151","0.0011","9.8005","0.0004","26.0531","0.0013","90","","117.401","0.006","90","","5021.3","0.5","292.59","0.11","292.59","0.11","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C27 H33 N O7 S -","- C27 H33 N O7 S -","- C216 H264 N8 O56 S8 -","8","1","","Sun, Haiyu; Xu, Shiyan; Xing, Zhimin; Liu, Lin; Feng, Shangbiao; Fang, Bowen; Xie, Xingang; She, Xuegong","Rapid construction of complex tetracyclic frameworks via a gold(i)-catalyzed tandem 1,2-acyloxy migration/[3 + 2] cycloaddition/Friedel‒Crafts type cyclization reaction of linear enynyl esters","Organic Chemistry Frontiers","2017","4","11","2109","","10.1039/C7QO00511C","","x-ray","0.71073","MoKα","","0.0815","0.0529","","","0.114","0.1334","","","","","","1.038","","","","has coordinates","236073","2020-10-21","18:00:00",""
"1553828","8.9279","0.0006","10.0249","0.0007","10.8557","0.001","115.731","0.008","104.925","0.007","90.322","0.006","838","0.13","293","2","293","2","","","","","","","","3","P -1","-P 1","2","","","","- C18 H22 O6 -","- C18 H22 O6 -","- C36 H44 O12 -","2","1","","Sun, Haiyu; Xu, Shiyan; Xing, Zhimin; Liu, Lin; Feng, Shangbiao; Fang, Bowen; Xie, Xingang; She, Xuegong","Rapid construction of complex tetracyclic frameworks via a gold(i)-catalyzed tandem 1,2-acyloxy migration/[3 + 2] cycloaddition/Friedel‒Crafts type cyclization reaction of linear enynyl esters","Organic Chemistry Frontiers","2017","4","11","2109","","10.1039/C7QO00511C","","x-ray","0.71073","MoKα","","0.0681","0.0495","","","0.1075","0.1189","","","","","","1.03","","","","has coordinates","236073","2020-10-21","18:00:00",""
"1553829","5.9908","0.0005","12.2284","0.001","23.731","0.003","90","","90","","90","","1738.5","0.3","293","2","293","2","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","","","- C19 H23 O6 -","- C19 H24 O6 -","- C76 H96 O24 -","4","1","","Sun, Haiyu; Xu, Shiyan; Xing, Zhimin; Liu, Lin; Feng, Shangbiao; Fang, Bowen; Xie, Xingang; She, Xuegong","Rapid construction of complex tetracyclic frameworks via a gold(i)-catalyzed tandem 1,2-acyloxy migration/[3 + 2] cycloaddition/Friedel‒Crafts type cyclization reaction of linear enynyl esters","Organic Chemistry Frontiers","2017","4","11","2109","","10.1039/C7QO00511C","","","0.71073","MoKα","","0.1199","0.0686","","","0.1491","0.1997","","","","","","0.991","","","","has coordinates","236073","2020-10-21","18:00:00",""
"1553830","13.7047","0.0006","15.4463","0.0007","24.0895","0.001","90","","97.806","0.004","90","","5052.2","0.4","290.74","0.1","290.74","0.1","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C27 H33 N O7 S -","- C27 H33 N O7 S -","- C216 H264 N8 O56 S8 -","8","1","","Sun, Haiyu; Xu, Shiyan; Xing, Zhimin; Liu, Lin; Feng, Shangbiao; Fang, Bowen; Xie, Xingang; She, Xuegong","Rapid construction of complex tetracyclic frameworks via a gold(i)-catalyzed tandem 1,2-acyloxy migration/[3 + 2] cycloaddition/Friedel‒Crafts type cyclization reaction of linear enynyl esters","Organic Chemistry Frontiers","2017","4","11","2109","","10.1039/C7QO00511C","","","0.7107","MoKα","","0.1132","0.0598","","","0.1021","0.1244","","","","","","1.062","","","","has coordinates","236073","2020-10-21","18:00:00",""
"1553831","8.981","0.002","10.331","0.003","10.885","0.003","66.11","0.03","71.31","0.03","87.32","0.02","870.7","0.5","293","2","293","2","","","","","","","","3","P -1","-P 1","2","","","","- C19 H24 O5 -","- C19 H24 O5 -","- C38 H48 O10 -","2","1","","Sun, Haiyu; Xu, Shiyan; Xing, Zhimin; Liu, Lin; Feng, Shangbiao; Fang, Bowen; Xie, Xingang; She, Xuegong","Rapid construction of complex tetracyclic frameworks via a gold(i)-catalyzed tandem 1,2-acyloxy migration/[3 + 2] cycloaddition/Friedel‒Crafts type cyclization reaction of linear enynyl esters","Organic Chemistry Frontiers","2017","4","11","2109","","10.1039/C7QO00511C","","","0.71073","MoKα","","0.1259","0.0673","","","0.1341","0.1744","","","","","","1.034","","","","has coordinates,has disorder","236073","2020-10-21","18:00:00",""
"1553832","9.88","0.002","10.9717","0.0017","12.836","0.002","85.382","0.013","71.391","0.017","65.05","0.019","1193.2","0.4","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C25 H29 N O7 S -","- C25 H29 N O7 S -","- C50 H58 N2 O14 S2 -","2","1","","Sun, Haiyu; Xu, Shiyan; Xing, Zhimin; Liu, Lin; Feng, Shangbiao; Fang, Bowen; Xie, Xingang; She, Xuegong","Rapid construction of complex tetracyclic frameworks via a gold(i)-catalyzed tandem 1,2-acyloxy migration/[3 + 2] cycloaddition/Friedel‒Crafts type cyclization reaction of linear enynyl esters","Organic Chemistry Frontiers","2017","4","11","2109","","10.1039/C7QO00511C","","","0.71073","MoKα","","0.095","0.057","","","0.1195","0.1501","","","","","","1.036","","","","has coordinates","236073","2020-10-21","18:00:00",""
"1553833","7.3052","0.0011","10.5757","0.0016","14.449","0.002","88.853","0.003","83.694","0.003","77.708","0.003","1084.1","0.3","293","2","293","2","","","","","","","","6","P -1","-P 1","2","","","","- C23 H19 Cl F3 N O5 -","- C23 H19 Cl F3 N O5 -","- C46 H38 Cl2 F6 N2 O10 -","2","1","","Sun, Yao-Liang; Wei, Yin; Shi, Min","Tunable regiodivergent phosphine-catalyzed [3 + 2] cycloaddition of alkynones and trifluoroacetyl phenylamides","Organic Chemistry Frontiers","2017","4","12","2392","","10.1039/C7QO00512A","","","0.71073","MoKα","","0.0638","0.0465","","","0.1114","0.1227","","","","","","1.015","","","","has coordinates","236075","2020-10-21","18:00:00",""
"1553834","11.287","0.002","12.727","0.002","14.808","0.003","90","","103.68","0.004","90","","2066.8","0.6","293","2","293","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C19 H23 Cl F3 N O4 -","- C19 H23 Cl F3 N O4 -","- C76 H92 Cl4 F12 N4 O16 -","4","1","","Sun, Yao-Liang; Wei, Yin; Shi, Min","Tunable regiodivergent phosphine-catalyzed [3 + 2] cycloaddition of alkynones and trifluoroacetyl phenylamides","Organic Chemistry Frontiers","2017","4","12","2392","","10.1039/C7QO00512A","","","0.71073","MoKα","","0.0781","0.0568","","","0.1427","0.1542","","","","","","1.044","","","","has coordinates,has disorder","236075","2020-10-21","18:00:00",""
"1553835","21.872","0.003","7.604","0.001","24.313","0.003","90","","110.597","0.003","90","","3785.1","0.9","293","2","293","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C21 H17 Cl F3 N O3 -","- C21 H17 Cl F3 N O3 -","- C168 H136 Cl8 F24 N8 O24 -","8","1","","Sun, Yao-Liang; Wei, Yin; Shi, Min","Tunable regiodivergent phosphine-catalyzed [3 + 2] cycloaddition of alkynones and trifluoroacetyl phenylamides","Organic Chemistry Frontiers","2017","4","12","2392","","10.1039/C7QO00512A","","","0.71073","MoKα","","0.0662","0.0487","","","0.1124","0.1212","","","","","","1.037","","","","has coordinates","236075","2020-10-21","18:00:00",""
"1553836","6.9086","0.0008","9.5831","0.0007","19.453","0.002","90","","96.737","0.01","90","","1279","0.2","120","","120","","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C16 H15 N O -","- C16 H15 N O -","- C64 H60 N4 O4 -","4","2","","Zhang, Wei; Yu, Wenlong; Yan, Qiangqiang; Liu, Zhanxiang; Zhang, Yuhong","Synthesis of substituted oxazoles via Pd-catalyzed tandem oxidative cyclization","Organic Chemistry Frontiers","2017","4","12","2428","","10.1039/C7QO00517B","","","0.71073","MoKα","","0.1472","0.1365","","","0.3471","0.3583","","","","","","1.333","","","","has coordinates","236076","2020-10-21","18:00:00",""
"1553837","11.7381","0.0004","13.2058","0.0005","14.4879","0.0006","90","","98.487","0.002","90","","2221.19","0.15","150","2","150","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C25 H29 N O5 S -","- C25 H29 N O5 S -","- C100 H116 N4 O20 S4 -","4","1","","Lv, Leiyang; Lu, Shenglin; Chen, Yuanjin; Li, Zhiping","Diastereoselective building up polycyclic tetrahydrofurans via tandem annulation of 1,n-enynes with aliphatic acids","Organic Chemistry Frontiers","2017","4","11","2147","","10.1039/C7QO00527J","","","0.71073","MoKα","","0.0408","0.0347","","","0.0876","0.0914","","","","","","1.027","","","","has coordinates","236078","2020-10-21","18:00:00",""
"1553838","8.0159","0.0011","15.545","0.003","21.174","0.003","90","","90","","90","","2638.4","0.7","133","2","133","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C29 H25 N O7 S -","- C29 H25 N O7 S -","- C116 H100 N4 O28 S4 -","4","1","","Li, Shoulei; Zhang, Enge; Feng, Junjun; Li, Xin","An enantioselective conjugate addition reaction of 3-substituted benzothiophen-2-ones and 2-phthalimidoacrylates","Organic Chemistry Frontiers","2017","4","12","2301","","10.1039/C7QO00531H","","","0.71073","MoKα","","0.0315","0.0276","","","0.07","0.072","","","","","","1.014","","","","has coordinates","236081","2020-10-21","18:00:00",""
"1553839","9.5214","0.0008","9.6784","0.0008","9.8861","0.0008","114.205","0.008","92.568","0.007","116.743","0.008","712.04","0.14","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C15 H17 F N2 O2 -","- C15 H17 F N2 O2 -","- C30 H34 F2 N4 O4 -","2","1","","Yang, Zi; Lin, Xing; Wang, Lianhui; Cui, Xiuling","Facile synthesis of 1-aminoindoles via Rh(iii)-catalysed intramolecular three-component annulation","Organic Chemistry Frontiers","2017","4","11","2179","","10.1039/C7QO00541E","","x-ray","1.54184","CuKα","","0.044","0.0376","","","0.1015","0.1075","","","","","","1.042","","","","has coordinates","236083","2020-10-21","18:00:00",""
"1553840","10.723","0.016","9.856","0.015","20.94","0.03","90","","100.205","0.017","90","","2178","6","293","2","293","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C23 H22 Br N O4 S -","- C23 H22 Br N O4 S -","- C92 H88 Br4 N4 O16 S4 -","4","1","","Wang, Weiyi; He, Qiuqin; Fan, Renhua","PhI(OAc)2-mediated dialkoxylation of 4-aminostyrenes through a dearomatization process under metal-free conditions","Organic Chemistry Frontiers","2017","4","11","2156","","10.1039/C7QO00545H","","","0.71073","MoKα","","0.1743","0.0976","","","0.2577","0.3288","","","","","","0.996","","","","has coordinates","236085","2020-10-21","18:00:00",""
"1553841","13.746","0.002","8.2548","0.0013","15.646","0.003","90","","104.468","0.002","90","","1719.1","0.5","223","2","223","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C17 H21 N O4 S -","- C17 H21 N O4 S -","- C68 H84 N4 O16 S4 -","4","1","","Wang, Weiyi; He, Qiuqin; Fan, Renhua","PhI(OAc)2-mediated dialkoxylation of 4-aminostyrenes through a dearomatization process under metal-free conditions","Organic Chemistry Frontiers","2017","4","11","2156","","10.1039/C7QO00545H","","","0.71073","MoKα","","0.0557","0.0433","","","0.1308","0.1447","","","","","","1.103","","","","has coordinates","236085","2020-10-21","18:00:00",""
"1553842","11.7394","0.0011","19.838","0.0019","16.5546","0.0012","90","","94.489","0.007","90","","3843.5","0.6","100","0.1","100","0.1","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C40 H48 Cl2 N2 O2 Pd -","- C40 H48 Cl2 N2 O2 Pd -","- C160 H192 Cl8 N8 O8 Pd4 -","4","1","","Chen, Fu-Min; Huang, Fei-Dong; Yao, Xue-Yi; Li, Tian; Liu, Feng-Shou","Direct C‒H heteroarylation by an acenaphthyl-based α-diimine palladium complex: improvement of the reaction efficiency for bi(hetero)aryls under aerobic conditions","Organic Chemistry Frontiers","2017","4","12","2336","","10.1039/C7QO00562H","","x-ray","0.71073","MoKα","","0.1182","0.0986","","","0.2046","0.2146","","","","","","1.185","","","","has coordinates","236088","2020-10-21","18:00:00",""
"1553843","7.973","0.0003","12.9128","0.0005","14.3781","0.0008","90","","90","","90","","1480.28","0.11","293","2","293","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","3a","","- C16 H15 N O4 -","- C16 H15 N O4 -","- C64 H60 N4 O16 -","4","1","","Wu, Qiuju; Li, Chengcheng; Wang, Weihong; Wang, Hongling; Pan, Dingwu; Zheng, Pengcheng","NHC-catalyzed enantioselective synthesis of dihydropyran-4-carbonitriles bearing all-carbon quaternary centers","Organic Chemistry Frontiers","2017","4","12","2323","","10.1039/C7QO00571G","","","1.54178","CuKα","","0.0445","0.0406","","","0.106","0.1097","","","","","","1.033","","","","has coordinates","236090","2020-10-21","18:00:00",""
"1553844","11.831","0.0008","8.4718","0.0005","16.4581","0.001","90","","90.759","0.006","90","","1649.45","0.18","293","2","293.15","","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C20 H21 N O2 -","- C20 H21 N O2 -","- C80 H84 N4 O8 -","4","1","","Wu, Shangze; Huang, Xin; Fu, Chunling; Ma, Shengming","Asymmetric SN2′-type C‒H functionalization of arenes with propargylic alcohols","Organic Chemistry Frontiers","2017","4","10","2002","","10.1039/C7QO00588A","","","0.71073","MoKα","","0.0821","0.0489","","","0.1144","0.1394","","","","","","1.038","","","","has coordinates","236092","2020-10-21","18:00:00",""
"1553845","8.316","0.002","10.229","0.002","13.179","0.003","69.905","0.018","82.818","0.018","72.23","0.019","1002.3","0.4","293","2","293.15","","","","","","","","","4","P -1","-P 1","2","","","","- C24 H27 N O -","- C24 H27 N O -","- C48 H54 N2 O2 -","2","1","","Wu, Shangze; Huang, Xin; Fu, Chunling; Ma, Shengming","Asymmetric SN2′-type C‒H functionalization of arenes with propargylic alcohols","Organic Chemistry Frontiers","2017","4","10","2002","","10.1039/C7QO00588A","","","0.71073","MoKα","","0.2693","0.0889","","","0.1758","0.2639","","","","","","0.994","","","","has coordinates","236092","2020-10-21","18:00:00",""
"1553846","11.781","0.001","12.2621","0.0007","12.7517","0.001","90","","110.261","0.009","90","","1728.1","0.2","293","2","293.15","","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C17 H22 I N O2 -","- C17 H22 I N O2 -","- C68 H88 I4 N4 O8 -","4","1","","Wu, Shangze; Huang, Xin; Fu, Chunling; Ma, Shengming","Asymmetric SN2′-type C‒H functionalization of arenes with propargylic alcohols","Organic Chemistry Frontiers","2017","4","10","2002","","10.1039/C7QO00588A","","","0.71073","MoKα","","0.0708","0.046","","","0.0999","0.1149","","","","","","1.054","","","","has coordinates,has disorder","236092","2020-10-21","18:00:00",""
"1553847","20.993","0.007","3.9406","0.0012","12.147","0.004","90","","95.906","0.005","90","","999.5","0.6","296","2","296","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C8 H6 Br F3 O S -","- C8 H6 Br F3 O S -","- C32 H24 Br4 F12 O4 S4 -","4","1","","Zhang, Yunxiao; Wu, Dongping; Weng, Zhiqiang","Synthesis of 1,2,2-trifluorovinyl sulphides and selenides from trifluorovinylation of organic thiocyanates and selenocyanates","Organic Chemistry Frontiers","2017","4","11","2226","","10.1039/C7QO00595D","","","0.71073","MoKα","","0.0616","0.0498","","","0.1371","0.1432","","","","","","1.072","","","","has coordinates","236093","2020-10-21","18:00:00",""
"1553848","9.3385","0.0018","11.1134","0.0014","11.912","0.002","69.983","0.007","88.735","0.008","69.443","0.007","1080.8","0.3","113","2","113","2","","","","","","","","6","P -1","-P 1","2","","","","- C26 H20 Br N O4 S -","- C26 H20 Br N O4 S -","- C52 H40 Br2 N2 O8 S2 -","2","1","","Jin, Hongxing; Li, Erqing; Huang, You","Divergent synthesis of hydropyridine derivatives via nitrogen-containing Lewis base mediated regioselective [4 + 2] cyclizations","Organic Chemistry Frontiers","2017","4","11","2216","","10.1039/C7QO00596B","","","0.71073","MoKα","","0.0323","0.0253","","","0.0686","0.0704","","","","","","1.045","","","","has coordinates","236094","2020-10-21","18:00:00",""
"1553849","27.96","0.01","10.908","0.003","16.954","0.006","90","","121.023","0.005","90","","4431","3","113","2","113","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C26 H20 Br N O4 S -","- C26 H20 Br N O4 S -","- C208 H160 Br8 N8 O32 S8 -","8","1","","Jin, Hongxing; Li, Erqing; Huang, You","Divergent synthesis of hydropyridine derivatives via nitrogen-containing Lewis base mediated regioselective [4 + 2] cyclizations","Organic Chemistry Frontiers","2017","4","11","2216","","10.1039/C7QO00596B","","","0.71073","MoKα","","0.0333","0.0258","","","0.0619","0.0643","","","","","","1.025","","","","has coordinates","236094","2020-10-21","18:00:00",""
"1553850","9.7797","0.001","10.9021","0.0011","14.8619","0.0015","90","","90","","90","","1584.6","0.3","296.15","","296.15","","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C18 H16 O4 S -","- C18 H16 O4 S -","- C72 H64 O16 S4 -","4","1","","Zhao, Wei-Wei; Liu, Yan-Kai","Enantio- and diastereoselective synthesis of tetrahydrofuro[2,3-b]furan-2(3H)-one derivatives and related oxygen heterocycles via an asymmetric organocatalytic cascade process","Organic Chemistry Frontiers","2017","4","12","2358","","10.1039/C7QO00621G","","","0.71073","MoKα","","0.0427","0.034","","","0.086","0.0919","","","","","","1.041","","","","has coordinates","236095","2020-10-21","18:00:00",""
"1553851","9.8074","0.0005","13.2321","0.0005","17.7176","0.0007","100.836","0.003","99.601","0.004","93.264","0.003","2217.36","0.17","150","","150","","","","","","","","","5","P -1","-P 1","2","","","","- C100 H96 Cl6 N6 O10 -","- C100 H96 Cl6 N6 O10 -","- C100 H96 Cl6 N6 O10 -","1","0.5","","Zhang, Yuehong; Wang, Chiming; Chen, Xin; Pan, Houhe; Qi, Dongdong; Wang, Kang; Jiang, Jianzhuang","Novel, linear oligoisoindole compounds with a conjugated electronic structure","Organic Chemistry Frontiers","2017","4","12","2364","","10.1039/C7QO00631D","","","1.54178","CuKα","","0.0751","0.0658","","","0.183","0.1934","","","","","","1.018","","","","has coordinates","236096","2020-10-21","18:00:00",""
"1553852","8.9041","0.0004","14.0916","0.0007","16.2768","0.0008","104.121","0.004","91.824","0.004","94.954","0.004","1970.23","0.17","150","","150","","","","","","","","","5","P 1","P 1","1","","diisoindole","","- C88 H122 N2 O4 S2 -","- C88 H122 N2 O4 S2 -","- C88 H122 N2 O4 S2 -","1","1","","Zhang, Yuehong; Wang, Chiming; Chen, Xin; Pan, Houhe; Qi, Dongdong; Wang, Kang; Jiang, Jianzhuang","Novel, linear oligoisoindole compounds with a conjugated electronic structure","Organic Chemistry Frontiers","2017","4","12","2364","","10.1039/C7QO00631D","","","1.54178","CuKα","","0.0527","0.0466","","","0.1245","0.1314","","","","","","1.024","","","","has coordinates","236096","2020-10-21","18:00:00",""
"1553853","18.0089","0.0005","19.4187","0.0005","29.7417","0.0007","90.357","0.002","95.539","0.002","107.328","0.002","9875.8","0.5","150","","150","","","","","","","","","5","P -1","-P 1","2","","hexaisoindole","","- C202 H249 Cl14 N9 O15 -","- C202 H249 Cl14 N9 O15 -","- C404 H498 Cl28 N18 O30 -","2","1","","Zhang, Yuehong; Wang, Chiming; Chen, Xin; Pan, Houhe; Qi, Dongdong; Wang, Kang; Jiang, Jianzhuang","Novel, linear oligoisoindole compounds with a conjugated electronic structure","Organic Chemistry Frontiers","2017","4","12","2364","","10.1039/C7QO00631D","","","1.54178","CuKα","","0.1424","0.1121","","","0.3263","0.3551","","","","","","1.3","","","","has coordinates","236096","2020-10-21","18:00:00",""
"1553854","9.9153","0.0002","27.367","0.0005","23.7531","0.0004","90","","93.29","0.002","90","","6434.8","0.2","249.9","","249.9","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C132 H154 Cl12 N6 O8 -","- C132 H154 Cl12 N6 O8 -","- C264 H308 Cl24 N12 O16 -","2","0.5","","Zhang, Yuehong; Wang, Chiming; Chen, Xin; Pan, Houhe; Qi, Dongdong; Wang, Kang; Jiang, Jianzhuang","Novel, linear oligoisoindole compounds with a conjugated electronic structure","Organic Chemistry Frontiers","2017","4","12","2364","","10.1039/C7QO00631D","","","1.54178","CuKα","","0.095","0.0802","","","0.2411","0.2554","","","","","","1.063","","","","has coordinates,has disorder","236096","2020-10-21","18:00:00",""
"1553855","5.1621","0.0006","16.3247","0.0018","20.251","0.002","90","","90","","90","","1706.5","0.3","293","2","293","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C18 H16 Cl N O4 S -","- C18 H16 Cl N O4 S -","- C72 H64 Cl4 N4 O16 S4 -","4","1","","Deng, Hua; He, Fu-Sheng; Li, Cong-Shan; Yang, Wu-Lin; Deng, Wei-Ping","Enantioselective construction of tricyclic pyrrolidine-fused benzo[b]thiophene 1,1-dioxide derivatives via copper(i)-catalyzed asymmetric 1,3-dipolar cycloaddition","Organic Chemistry Frontiers","2017","4","12","2343","","10.1039/C7QO00640C","","","0.71073","MoKα","","0.0476","0.042","","","0.1066","0.1107","","","","","","1.035","","","","has coordinates","236098","2020-10-21","18:00:00",""
"1553866","8.4885","0.0005","10.6796","0.0006","16.8127","0.0009","74.369","0.004","82.265","0.004","75.011","0.005","1414.37","0.14","296","","296.15","","","","","","","","","4","P -1","-P 1","2","","","","- C31 H36 N2 O4 -","- C31 H36 N2 O4 -","- C62 H72 N4 O8 -","2","1","","Wu, Jia-Le; Wang, Jing-Yi; Wu, Ping; Mei, Guang-Jian; Shi, Feng","Catalytic asymmetric C2-nucleophilic substitutions of C3-substituted indoles with ortho-hydroxybenzyl alcohols","Organic Chemistry Frontiers","2017","4","12","2465","","10.1039/C7QO00649G","","","1.54178","CuKα","","0.1161","0.075","","","0.1876","0.2188","","","","","","1.011","","","","has coordinates","236104","2020-10-21","18:00:00",""
"1553867","18.5578","0.0009","18.5578","0.0009","9.8682","0.0006","90","","90","","120","","2943.2","0.3","296","","296","","","","","","","","","4","P 61","P 61","169","","","","- C23 H20 N O2 -","- C23 H21 N O2 -","- C138 H126 N6 O12 -","6","1","","Wu, Jia-Le; Wang, Jing-Yi; Wu, Ping; Mei, Guang-Jian; Shi, Feng","Catalytic asymmetric C2-nucleophilic substitutions of C3-substituted indoles with ortho-hydroxybenzyl alcohols","Organic Chemistry Frontiers","2017","4","12","2465","","10.1039/C7QO00649G","","","1.54178","CuKα","","0.0543","0.0434","","","0.1186","0.1284","","","","","","1.015","","","","has coordinates","236104","2020-10-21","18:00:00",""
"1553868","6.0777","0.0007","22.245","0.003","11.8606","0.0015","90","","96.163","0.002","90","","1594.3","0.3","296","2","296","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C17 H22 N2 O2 -","- C17 H22 N2 O2 -","- C68 H88 N8 O8 -","4","1","","Liu, Xueke; Qian, Ping; Wang, Yi; Pan, Yi","Metal-free sequential decarbonylative annulation of N-cyanamides for the construction of 2,3-dihydropyrrolo[2,1-b]quinazolin-9(1H)-ones","Organic Chemistry Frontiers","2017","4","12","2370","","10.1039/C7QO00677B","","","0.71073","MoKα","","0.1128","0.0778","","","0.2365","0.274","","","","","","1.05","","","","has coordinates","236106","2020-10-21","18:00:00",""
"1553869","21.107","0.003","7.3437","0.0011","21.914","0.003","90","","101.993","0.005","90","","3322.6","0.8","296","2","296","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C20 H22 N2 O -","- C20 H22 N2 O -","- C160 H176 N16 O8 -","8","1","","Liu, Xueke; Qian, Ping; Wang, Yi; Pan, Yi","Metal-free sequential decarbonylative annulation of N-cyanamides for the construction of 2,3-dihydropyrrolo[2,1-b]quinazolin-9(1H)-ones","Organic Chemistry Frontiers","2017","4","12","2370","","10.1039/C7QO00677B","","","0.71073","MoKα","","0.0959","0.0818","","","0.2146","0.2278","","","","","","1.072","","","","has coordinates","236106","2020-10-21","18:00:00",""
"1553870","7.9044","0.0001","11.5678","0.0002","15.8146","0.0002","90","","98.267","0.001","90","","1431.01","0.04","290","2","290","2","","","","","","","","3","P 1 21 1","P 2yb","4","","","","- C31 H38 O9 -","- C31 H38 O9 -","- C62 H76 O18 -","2","1","","Luo, Jun; Huang, Wan-Sha; Hu, Sheng-Mou; Zhang, Pan-Pan; Zhou, Xu-Wei; Wang, Xiao-Bing; Yang, Ming-Hua; Luo, Jian-Guang; Wang, Chen; Liu, Chang; Yao, He-Quan; Zhang, Can; Sun, Hong-Bin; Chen, Yi-Jun; Kong, Ling-Yi","Rearranged limonoids with unique 6/5/6/5 tetracarbocyclic skeletons from Toona ciliata and biomimetic structure divergence","Organic Chemistry Frontiers","2017","4","12","2417","","10.1039/C7QO00678K","","","1.54184","CuKα","","0.035","0.0337","","","0.0879","0.0896","","","","","","1.03","","","","has coordinates","236108","2020-10-21","18:00:00",""
"1553871","14.6815","0.0001","17.2043","0.0002","23.1115","0.0002","90","","90","","90","","5837.62","0.09","291","2","291","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C31 H38 O9 -","- C31 H38 O9 -","- C248 H304 O72 -","8","2","","Luo, Jun; Huang, Wan-Sha; Hu, Sheng-Mou; Zhang, Pan-Pan; Zhou, Xu-Wei; Wang, Xiao-Bing; Yang, Ming-Hua; Luo, Jian-Guang; Wang, Chen; Liu, Chang; Yao, He-Quan; Zhang, Can; Sun, Hong-Bin; Chen, Yi-Jun; Kong, Ling-Yi","Rearranged limonoids with unique 6/5/6/5 tetracarbocyclic skeletons from Toona ciliata and biomimetic structure divergence","Organic Chemistry Frontiers","2017","4","12","2417","","10.1039/C7QO00678K","","","1.54184","CuKα","","0.0685","0.0635","","","0.1821","0.1891","","","","","","1.034","","","","has coordinates","236108","2020-10-21","18:00:00",""
"1553875","8.4549","0.0014","13.872","0.002","14.009","0.002","117.552","0.003","101.368","0.004","92.964","0.004","1408.7","0.4","293","2","293","2","","","","","","","","6","P -1","-P 1","2","","","","- C25 H24 Br2 N2 O3 S -","- C25 H24 Br2 N2 O3 S -","- C50 H48 Br4 N4 O6 S2 -","2","1","","Jiang, Bo; Shi, Min","Rhodium(ii)-catalyzed intermolecular [3 + 2] annulation of N-vinyl indoles with N-tosyl-1,2,3-triazoles via an aza-vinyl Rh carbene","Organic Chemistry Frontiers","2017","4","12","2459","","10.1039/C7QO00703E","","","0.71073","MoKα","","0.0839","0.0508","","","0.121","0.1326","","","","","","0.919","","","","has coordinates","236114","2020-10-21","18:00:00",""
"1553876","13.823","0.002","11.5473","0.0019","30.267","0.005","90","","98.559","0.006","90","","4777.4","1.3","272","2","272.29","","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C44 H45 Br2 N3 O6 S2 -","- C44 H45 Br2 N3 O6 S2 -","- C176 H180 Br8 N12 O24 S8 -","4","1","","Jiang, Bo; Shi, Min","Rhodium(ii)-catalyzed intermolecular [3 + 2] annulation of N-vinyl indoles with N-tosyl-1,2,3-triazoles via an aza-vinyl Rh carbene","Organic Chemistry Frontiers","2017","4","12","2459","","10.1039/C7QO00703E","","","0.71073","MoKα","","0.154","0.0663","","","0.1613","0.2048","","","","","","0.941","","","","has coordinates","236114","2020-10-21","18:00:00",""
"1553877","11.936","0.0015","13.1209","0.0017","13.8558","0.0016","89.702","0.004","84.883","0.003","66.69","0.003","1983.8","0.4","293","2","293","2","","","","","","","","6","P -1","-P 1","2","","","","- C43 H38 Br N3 O4 S2 -","- C43 H38 Br N3 O4 S2 -","- C86 H76 Br2 N6 O8 S4 -","2","1","","Jiang, Bo; Shi, Min","Rhodium(ii)-catalyzed intermolecular [3 + 2] annulation of N-vinyl indoles with N-tosyl-1,2,3-triazoles via an aza-vinyl Rh carbene","Organic Chemistry Frontiers","2017","4","12","2459","","10.1039/C7QO00703E","","","0.71073","MoKα","","0.1209","0.059","","","0.1505","0.1878","","","","","","0.925","","","","has coordinates","236114","2020-10-21","18:00:00",""
"1553878","10.688","0.002","10.745","0.002","11.245","0.002","103.535","0.004","94.412","0.004","96.045","0.004","1241.6","0.4","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C31 H26 N2 O2 S -","- C31 H26 N2 O2 S -","- C62 H52 N4 O4 S2 -","2","1","","Jiang, Bo; Shi, Min","Rhodium(ii)-catalyzed intermolecular [3 + 2] annulation of N-vinyl indoles with N-tosyl-1,2,3-triazoles via an aza-vinyl Rh carbene","Organic Chemistry Frontiers","2017","4","12","2459","","10.1039/C7QO00703E","","","0.71073","MoKα","","0.0744","0.0571","","","0.143","0.1554","","","","","","1.015","","","","has coordinates","236114","2020-10-21","18:00:00",""
"1553879","24.816","0.003","10.401","0.0011","16.9512","0.0018","90","","96.192","0.002","90","","4349.8","0.8","293","2","293","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C25 H21 Br N2 O2 S -","- C25 H21 Br N2 O2 S -","- C200 H168 Br8 N16 O16 S8 -","8","1","","Jiang, Bo; Shi, Min","Rhodium(ii)-catalyzed intermolecular [3 + 2] annulation of N-vinyl indoles with N-tosyl-1,2,3-triazoles via an aza-vinyl Rh carbene","Organic Chemistry Frontiers","2017","4","12","2459","","10.1039/C7QO00703E","","","0.71073","MoKα","","0.0655","0.0429","","","0.0996","0.1099","","","","","","1.016","","","","has coordinates","236114","2020-10-21","18:00:00",""
"1553881","24.1839","0.0009","31.5567","0.0009","12.6112","0.0003","90","","104.99","0.003","90","","9296.9","0.5","273","2","273","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C72 H112 Cl2 N28 O26 -","- C72 H84 N28 O22 -","- C288 H336 N112 O88 -","4","0.5","","Xiao, Zhi-You; Lin, Rui-Lian; Tao, Zhu; Liu, Qing-Yun; Liu, Jing-Xin; Xiao, Xin","Multiple noncovalent interaction constructed polymeric supramolecular crystals: recognition of butyl viologen by para-dicyclohexanocucurbit[6]uril and α,α′,δ,δ′-tetramethylcucurbit[6]uril","Organic Chemistry Frontiers","2017","4","12","2422","","10.1039/C7QO00708F","","","0.71073","MoKα","","0.1978","0.1121","","","0.2997","0.347","","","","","","1.005","","","","has coordinates,has disorder","236118","2020-10-21","18:00:00",""
"1553882","12.8381","0.0007","15.6916","0.0009","22.2878","0.0013","92.995","0.002","98.521","0.002","106.862","0.002","4227.9","0.4","273","2","273","2","","","","","","","","6","P -1","-P 1","2","","","","- C108 H176 Cl6 N52 O50 Sr2 -","- C108 H124 Cl4 N52 O40 Sr2 -","- C108 H124 Cl4 N52 O40 Sr2 -","1","0.5","","Xiao, Zhi-You; Lin, Rui-Lian; Tao, Zhu; Liu, Qing-Yun; Liu, Jing-Xin; Xiao, Xin","Multiple noncovalent interaction constructed polymeric supramolecular crystals: recognition of butyl viologen by para-dicyclohexanocucurbit[6]uril and α,α′,δ,δ′-tetramethylcucurbit[6]uril","Organic Chemistry Frontiers","2017","4","12","2422","","10.1039/C7QO00708F","","","0.71073","MoKα","","0.081","0.0615","","","0.1789","0.1905","","","","","","1.014","","","","has coordinates,has disorder","236118","2020-10-21","18:00:00",""
"1554091","23.1475","0.0013","23.1475","0.0013","12.6145","0.0009","90","","90","","90","","6758.9","0.7","296","2","296","2","","","","","","","","4","P 42/n :2","-P 4bc","86","","","","- C42 H36 N2 O2 -","- C42 H36 N2 O2 -","- C336 H288 N16 O16 -","8","1","","Mallia, Ajith R.; Hariharan, Mahesh","Self-Assembled Donor‒Acceptor Trefoils: Long-Lived Charge Separated State through Aggregation","The Journal of Physical Chemistry C","2017","121","9","4778","","10.1021/acs.jpcc.6b10765","","","0.71073","MoKα","","0.1729","0.0958","","","0.2612","0.3552","","","","","","1.066","","","","has coordinates","236556","2020-10-21","18:00:00",""
"1554092","11.584","0.002","12.031","0.002","18.156","0.004","90","","96.06","0.03","90","","2516.2","0.8","293","2","293","","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C28 H28 N2 O4 -","- C28 H28 N2 O4 -","- C112 H112 N8 O16 -","4","2","","Zhu, Qiuhua; Dai, Chenshu; Huang, Cuihong; Zheng, Sichao; Tian, Yuanxin","Racemates Have Much Higher Solid-State Fluorescence Efficiency than Their Levo- and Dextrorotary Enantiomers","The Journal of Physical Chemistry C","2017","121","45","25503","","10.1021/acs.jpcc.7b09170","","","0.71073","MoKα","","0.0896","0.0424","","","0.0983","0.1271","","","","","","1.012","","","","has coordinates,has disorder","236559","2020-10-21","18:00:00",""
"1554093","9.65062","0.00013","11.62065","0.00013","19.4417","0.0002","90","","90","","90","","2180.32","0.04","291.25","0.1","291.25","0.1","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C26 H24 N2 O4 -","- C26 H24 N2 O4 -","- C104 H96 N8 O16 -","4","1","","Zhu, Qiuhua; Dai, Chenshu; Huang, Cuihong; Zheng, Sichao; Tian, Yuanxin","Racemates Have Much Higher Solid-State Fluorescence Efficiency than Their Levo- and Dextrorotary Enantiomers","The Journal of Physical Chemistry C","2017","121","45","25503","","10.1021/acs.jpcc.7b09170","","x-ray","1.54184","CuKα","","0.0279","0.0258","","","0.065","0.0668","","","","","","1.016","","","","has coordinates","236560","2020-10-21","18:00:00",""
"1554094","9.754","0.002","11.691","0.002","19.628","0.004","90","","90","","90","","2238.3","0.8","295.15","","295.15","","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C26 H24 N2 O4 -","- C26 H24 N2 O4 -","- C104 H96 N8 O16 -","4","1","","Zhu, Qiuhua; Dai, Chenshu; Huang, Cuihong; Zheng, Sichao; Tian, Yuanxin","Racemates Have Much Higher Solid-State Fluorescence Efficiency than Their Levo- and Dextrorotary Enantiomers","The Journal of Physical Chemistry C","2017","121","45","25503","","10.1021/acs.jpcc.7b09170","","","0.71073","MoKα","","0.0544","0.0391","","","0.0796","0.0855","","","","","","0.772","","","","has coordinates","236561","2020-10-21","18:00:00",""
"1554095","16.479","0.003","9.0821","0.0018","15.44","0.003","90","","101.98","0.03","90","","2260.5","0.8","293","2","293","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C26 H23 Br N2 O4 -","- C26 H23 Br N2 O4 -","- C104 H92 Br4 N8 O16 -","4","1","","Zhu, Qiuhua; Dai, Chenshu; Huang, Cuihong; Zheng, Sichao; Tian, Yuanxin","Racemates Have Much Higher Solid-State Fluorescence Efficiency than Their Levo- and Dextrorotary Enantiomers","The Journal of Physical Chemistry C","2017","121","45","25503","","10.1021/acs.jpcc.7b09170","","","0.71073","MoKα","","0.1023","0.0467","","","0.1062","0.1793","","","","","","1.16","","","","has coordinates","236562","2020-10-21","18:00:00",""
"1554096","11.3983","0.0004","11.3983","0.0004","36.807","0.003","90","","90","","90","","4782","0.5","296.15","","296.15","","","","","","","","","5","P 41 21 2","P 4abw 2nw","92","","","","- C26 H23 Br N2 O4 -","- C26 H23 Br N2 O4 -","- C208 H184 Br8 N16 O32 -","8","1","","Zhu, Qiuhua; Dai, Chenshu; Huang, Cuihong; Zheng, Sichao; Tian, Yuanxin","Racemates Have Much Higher Solid-State Fluorescence Efficiency than Their Levo- and Dextrorotary Enantiomers","The Journal of Physical Chemistry C","2017","121","45","25503","","10.1021/acs.jpcc.7b09170","","","0.71073","MoKα","","0.085","0.0432","","","0.0783","0.0906","","","","","","1.071","","","","has coordinates","236564","2020-10-21","18:00:00",""
"1554097","11.4","0.03","19.6","0.05","11.58","0.03","90","","91.95","0.05","90","","2586","12","296.15","","296.15","","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C28 H27 Br N2 O4 -","- C28 H27 Br N2 O4 -","- C112 H108 Br4 N8 O16 -","4","2","","Zhu, Qiuhua; Dai, Chenshu; Huang, Cuihong; Zheng, Sichao; Tian, Yuanxin","Racemates Have Much Higher Solid-State Fluorescence Efficiency than Their Levo- and Dextrorotary Enantiomers","The Journal of Physical Chemistry C","2017","121","45","25503","","10.1021/acs.jpcc.7b09170","","","0.71073","MoKα","","0.1595","0.0858","","","0.2166","0.2591","","","","","","1.028","","","","has coordinates","236566","2020-10-21","18:00:00",""
"1554098","10.863","0.004","11.675","0.004","19.581","0.007","90","","77.94","0.005","90","","2428.6","1.5","298.15","","298.15","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C26 H23 Br N2 O4 -","- C26 H23 Br N2 O4 -","- C104 H92 Br4 N8 O16 -","4","1","","Zhu, Qiuhua; Dai, Chenshu; Huang, Cuihong; Zheng, Sichao; Tian, Yuanxin","Racemates Have Much Higher Solid-State Fluorescence Efficiency than Their Levo- and Dextrorotary Enantiomers","The Journal of Physical Chemistry C","2017","121","45","25503","","10.1021/acs.jpcc.7b09170","","","0.71073","MoKα","","0.1965","0.053","","","0.0867","0.1239","","","","","","0.883","","","","has coordinates","236568","2020-10-21","18:00:00",""
"1554099","11.3202","0.0001","11.3202","0.0001","36.3968","0.0007","90","","90","","90","","4664.14","0.11","173","","173","","","","","","","","","5","P 43 21 2","P 4nw 2abw","96","","","","- C26 H23 Br N2 O4 -","- C26 H23 Br N2 O4 -","- C208 H184 Br8 N16 O32 -","8","1","","Zhu, Qiuhua; Dai, Chenshu; Huang, Cuihong; Zheng, Sichao; Tian, Yuanxin","Racemates Have Much Higher Solid-State Fluorescence Efficiency than Their Levo- and Dextrorotary Enantiomers","The Journal of Physical Chemistry C","2017","121","45","25503","","10.1021/acs.jpcc.7b09170","","","1.54178","CuKα","","0.0301","0.0269","","","0.061","0.0627","","","","","","1.067","","","","has coordinates","236569","2020-10-21","18:00:00",""
"1554100","11.4015","0.0008","19.6478","0.0015","11.6171","0.0009","90","","91.917","0.003","90","","2600.9","0.3","293.15","","293.15","","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C28 H27 Br N2 O4 -","- C28 H27 Br N2 O4 -","- C112 H108 Br4 N8 O16 -","4","2","","Zhu, Qiuhua; Dai, Chenshu; Huang, Cuihong; Zheng, Sichao; Tian, Yuanxin","Racemates Have Much Higher Solid-State Fluorescence Efficiency than Their Levo- and Dextrorotary Enantiomers","The Journal of Physical Chemistry C","2017","121","45","25503","","10.1021/acs.jpcc.7b09170","","","1.54184","CuKα","","0.1014","0.0802","","","0.2143","0.2676","","","","","","1.11","","","","has coordinates","236572","2020-10-21","18:00:00",""
"1554101","11.401","0.005","11.654","0.008","19.628","0.004","90","","96.697","0.006","90","","2590","2","298.15","","298.15","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C28 H27 Br N2 O4 -","- C28 H27 Br N2 O4 -","- C112 H108 Br4 N8 O16 -","4","1","","Zhu, Qiuhua; Dai, Chenshu; Huang, Cuihong; Zheng, Sichao; Tian, Yuanxin","Racemates Have Much Higher Solid-State Fluorescence Efficiency than Their Levo- and Dextrorotary Enantiomers","The Journal of Physical Chemistry C","2017","121","45","25503","","10.1021/acs.jpcc.7b09170","","","0.71073","MoKα","","0.1773","0.0573","","","0.1146","0.1549","","","","","","0.952","","","","has coordinates","236573","2020-10-21","18:00:00",""
"1554168","16.4259","0.0005","17.1593","0.0004","17.2162","0.0006","76.75","0.003","69.223","0.003","75.674","0.003","4342","0.2","150","","150","","","","","","","","","6","P -1","-P 1","2","","","","- C41 H46 Br2 Cl2 N2 Ni -","- C41 H46 Br2 Cl2 N2 Ni -","- C164 H184 Br8 Cl8 N8 Ni4 -","4","2","","Zhong, Liu; Li, Guiliang; Liang, Guodong; Gao, Haiyang; Wu, Qing","Enhancing Thermal Stability and Living Fashion in α-Diimine‒Nickel-Catalyzed (Co)polymerization of Ethylene and Polar Monomer by Increasing the Steric Bulk of Ligand Backbone","Macromolecules","2017","50","7","2675","","10.1021/acs.macromol.7b00121","","","1.54178","CuKα","","0.0537","0.0457","","","0.1216","0.1291","","","","","","1.024","","","","has coordinates,has disorder","236716","2020-10-21","18:00:00",""
"1554169","26.8702","0.0005","26.8702","0.0005","35.7526","0.0009","90","","90","","120","","22355.3","0.8","150","","150","","","","","","","","","5","R -3 :H","-R 3","148","","","","- C48 H60 Br2 N2 Ni -","- C48 H60 Br2 N2 Ni -","- C864 H1080 Br36 N36 Ni18 -","18","1","","Zhong, Liu; Li, Guiliang; Liang, Guodong; Gao, Haiyang; Wu, Qing","Enhancing Thermal Stability and Living Fashion in α-Diimine‒Nickel-Catalyzed (Co)polymerization of Ethylene and Polar Monomer by Increasing the Steric Bulk of Ligand Backbone","Macromolecules","2017","50","7","2675","","10.1021/acs.macromol.7b00121","","","1.54178","CuKα","","0.0567","0.0463","","","0.1214","0.132","","","","","","1.023","","","","has coordinates","236718","2020-10-21","18:00:00",""
"1554170","9.447","0.002","15.805","0.005","13.524","0.004","90","","100.792","0.01","90","","1983.6","1","100","","100","","","","","","","","see text","5","P 1 21/c 1","-P 2ybc","14","","","","- C48 H54 N2 O2 Y2 -","- C48 H54 N2 O2 Y2 -","- C96 H108 N4 O4 Y4 -","2","0.5","","Pahl, Philipp; Schwarzenböck, Christina; Herz, Fabian A. D.; Soller, Benedikt S.; Jandl, Christian; Rieger, Bernhard","Core-First Synthesis of Three-Armed Star-Shaped Polymers by Rare Earth Metal-Mediated Group Transfer Polymerization","Macromolecules","2017","50","17","6569","","10.1021/acs.macromol.7b01007","","x-ray","0.71073","MoKα","","0.0435","0.0305","","","0.0699","0.0738","","","","","","1.079","","","","has coordinates,has disorder","236720","2020-10-21","18:00:00",""
"1554171","7.9941","0.0004","19.5986","0.001","23.2344","0.0012","78.1666","0.0018","89.6646","0.0017","88.2859","0.0018","3561.3","0.3","100","","100","","","","","","","","see text","5","P -1","-P 1","2","","","","- C76 H86 N3 O3 Y3 -","- C76 H86 N3 O3 Y3 -","- C152 H172 N6 O6 Y6 -","2","1","","Pahl, Philipp; Schwarzenböck, Christina; Herz, Fabian A. D.; Soller, Benedikt S.; Jandl, Christian; Rieger, Bernhard","Core-First Synthesis of Three-Armed Star-Shaped Polymers by Rare Earth Metal-Mediated Group Transfer Polymerization","Macromolecules","2017","50","17","6569","","10.1021/acs.macromol.7b01007","","x-ray","0.71073","MoKα","","0.0603","0.05","","","0.1244","0.1313","","","","","","1.033","","","","has coordinates,has disorder","236722","2020-10-21","18:00:00",""
"1555980","11.8603","0.0006","9.4892","0.0004","12.0188","0.0009","90","","118.477","0.008","90","","1188.99","0.15","173","","173","","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C26 H27 N7 O2 -","- C26 H27 N7 O2 -","- C52 H54 N14 O4 -","2","1","","Shiomi, Noriyuki; Yamamoto, Keisuke; Nagasaki, Kazuma; Hatanaka, Tsubasa; Funahashi, Yasuhiro; Nakamura, Shuichi","Enantioselective Oxidative Ring-Opening Reaction of Aziridines with α-Nitroesters Using Cinchona Alkaloid Amide/Nickel(II) Catalysts.","Organic letters","2017","19","1","74","77","10.1021/acs.orglett.6b03346","","","0.71075","MoKα","","0.0818","0.0509","","","0.0835","0.0895","","","","","","1.003","","","","has coordinates","239301","2020-10-21","18:00:00",""
"1555992","8.1158","0.0008","9.2869","0.0009","14.1457","0.0014","86.852","0.001","84.763","0.002","70.523","0.001","1000.62","0.17","100","2","100","2","","","","","","","","4","P -1","-P 1","2","","","","- C26 H24 N2 O2 -","- C26 H24 N2 O2 -","- C52 H48 N4 O4 -","2","1","","Fan, Ling; Liu, Meilin; Ye, Yu; Yin, Guodong","Synthesis of 6-Substituted 6H-Indolo[2,3-b]quinolines from Isoindigos.","Organic letters","2017","19","1","186","189","10.1021/acs.orglett.6b03484","","","0.71073","MoKα","","0.0538","0.0488","","","0.1325","0.1372","","","","","","1.055","","","","has coordinates","239313","2020-10-21","18:00:00",""
"1555993","11.1632","0.0009","11.1632","0.0009","12.0079","0.0019","90","","90","","90","","1496.4","0.3","296","2","296","2","","","","","","","","4","P 43","P 4cw","78","","","","- C21 H13 F N2 -","- C21 H13 F N2 -","- C84 H52 F4 N8 -","4","1","","Fan, Ling; Liu, Meilin; Ye, Yu; Yin, Guodong","Synthesis of 6-Substituted 6H-Indolo[2,3-b]quinolines from Isoindigos.","Organic letters","2017","19","1","186","189","10.1021/acs.orglett.6b03484","","","0.71073","MoKα","","0.0568","0.0418","","","0.0867","0.0942","","","","","","1.072","","","","has coordinates","239314","2020-10-21","18:00:00",""
"1555994","10.5667","0.0019","11.1762","0.0016","18.221","0.003","90","","90","","90","","2151.8","0.6","100","2","100","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C19 H27 Br N O2 Si -","- C19 H27 Br N O2 Si -","- C76 H108 Br4 N4 O8 Si4 -","4","1","","Alicea-Matías, Eyleen; Soderquist, John A.","Asymmetric Propargylboration of Aldimines and Ketimines with the Borabicyclo[3.3.2]decanes: Novel Entries to Allenyl Carbinamines, Amino Acids, and Their α-Methyl Counterparts.","Organic letters","2017","19","2","336","339","10.1021/acs.orglett.6b03506","","","0.71073","MoKα","","0.0733","0.0576","","","0.1424","0.1507","","","","","","1.021","","","","has coordinates","239315","2020-10-21","18:00:00",""
"1555996","6.0625","0.0002","19.5089","0.0007","16.3468","0.0006","90","","96.885","0.002","90","","1919.44","0.12","100","","100","","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C21 H22 Br N O2 -","- C21 H22 Br N O2 -","- C84 H88 Br4 N4 O8 -","4","2","","Wu, Chun-Yan; Yu, Yue-Na; Xu, Ming-Hua","Construction of Chiral Tricyclic Indoles through a Rhodium-Catalyzed Asymmetric Arylation Protocol.","Organic letters","2017","19","2","384","387","10.1021/acs.orglett.6b03585","","","0.71073","MoKα","","0.1211","0.1029","","","0.2877","0.3146","","","","","","0.901","","","","has coordinates,has disorder","239317","2020-10-21","18:00:00",""
"1555997","7.1592","0.0002","9.8482","0.0004","12.3493","0.0005","81.6372","0.0018","83.2218","0.0016","80.227","0.0017","845.03","0.05","296","2","296","2","","","","","","","","4","P -1","-P 1","2","","","","- C21 H15 N3 O2 -","- C21 H15 N3 O2 -","- C42 H30 N6 O4 -","2","1","","Ramakrishna, Isai; Bhajammanavar, Vinod; Mallik, Sumitava; Baidya, Mahiuddin","Advanced Nitroso Aldol Reaction: Metal-Free Cross-Coupling of Anilines with Silyl Enol Ethers en Route to α-Amino Ketones.","Organic letters","2017","19","3","516","519","10.1021/acs.orglett.6b03686","","","0.71073","MoKα","","0.0547","0.0386","","","0.0968","0.11","","","","","","1.028","","","","has coordinates","239318","2020-10-21","18:00:00",""
"1555998","11.696","0.002","9.0705","0.0014","15.811","0.003","90","","102.782","0.006","90","","1635.8","0.5","296","2","296","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C20 H12 F3 N3 -","- C20 H12 F3 N3 -","- C80 H48 F12 N12 -","4","1","","Ramakrishna, Isai; Bhajammanavar, Vinod; Mallik, Sumitava; Baidya, Mahiuddin","Advanced Nitroso Aldol Reaction: Metal-Free Cross-Coupling of Anilines with Silyl Enol Ethers en Route to α-Amino Ketones.","Organic letters","2017","19","3","516","519","10.1021/acs.orglett.6b03686","","","0.71073","MoKα","","0.1794","0.0758","","","0.197","0.2593","","","","","","1.012","","","","has coordinates","239319","2020-10-21","18:00:00",""
"1555999","8.4056","0.0003","9.8583","0.0003","10.2022","0.0003","69.4122","0.0016","78.7895","0.0016","71.4852","0.0016","747.18","0.04","296","2","296","2","","","","","","","","4","P -1","-P 1","2","","","","- C17 H17 N O3 -","- C17 H17 N O3 -","- C34 H34 N2 O6 -","2","1","","Ramakrishna, Isai; Bhajammanavar, Vinod; Mallik, Sumitava; Baidya, Mahiuddin","Advanced Nitroso Aldol Reaction: Metal-Free Cross-Coupling of Anilines with Silyl Enol Ethers en Route to α-Amino Ketones.","Organic letters","2017","19","3","516","519","10.1021/acs.orglett.6b03686","","","0.71073","MoKα","","0.0671","0.0444","","","0.1132","0.1292","","","","","","1.044","","","","has coordinates","239320","2020-10-21","18:00:00",""
"1556000","11.0611","0.0004","6.743","0.0003","13.0444","0.0005","90","","102.392","0.003","90","","950.25","0.07","296","2","296.15","","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C19 H24 N2 O2 S -","- C19 H24 N2 O2 S -","- C38 H48 N4 O4 S2 -","2","1","","Ma, Peng-Ju; Liu, Hui; Lu, Chong-Dao; Xu, Yan-Jun","Diastereoselective Electrophilic α-Hydroxyamination of N-tert-Butanesulfinyl Imidates.","Organic letters","2017","19","3","670","673","10.1021/acs.orglett.6b03835","","","0.71073","MoKα","","0.0449","0.0399","","","0.1027","0.1074","","","","","","1.054","","","","has coordinates","239322","2020-10-21","18:00:00",""
"1556001","26.495","0.002","26.495","0.002","25.84","0.002","90","","90","","120","","15709","2","173","2","173","2","","","","","","","","4","R -3 :H","-R 3","148","","","","- C30 H30 N2 O3 -","- C30 H30 N2 O3 -","- C540 H540 N36 O54 -","18","1","","Halli, Juliette; Bolte, Michael; Bats, Jan; Manolikakes, Georg","Modular Two-Step Approach for the Stereodivergent Synthesis of 1,3-Diamines with Three Continuous Stereocenters.","Organic letters","2017","19","3","674","677","10.1021/acs.orglett.6b03841","","","0.71073","MoKα","","0.2316","0.1185","","","0.2862","0.3575","","","","","","0.973","","","","has coordinates,has disorder","239323","2020-10-21","18:00:00",""
"1556002","12.7136","0.0013","19.6481","0.0016","10.0368","0.0013","90","","104.806","0.009","90","","2423.9","0.5","173","2","173","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C29 H28 N2 O3 -","- C29 H28 N2 O3 -","- C116 H112 N8 O12 -","4","1","","Halli, Juliette; Bolte, Michael; Bats, Jan; Manolikakes, Georg","Modular Two-Step Approach for the Stereodivergent Synthesis of 1,3-Diamines with Three Continuous Stereocenters.","Organic letters","2017","19","3","674","677","10.1021/acs.orglett.6b03841","","","0.71073","MoKα","","0.0837","0.063","","","0.1608","0.1724","","","","","","1.037","","","","has coordinates","239324","2020-10-21","18:00:00",""
"1556003","8.088","0.0009","29.039","0.002","10.3957","0.0012","90","","98.253","0.009","90","","2416.3","0.4","173","2","173","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C29 H28 N2 O3 -","- C29 H28 N2 O3 -","- C116 H112 N8 O12 -","4","1","","Halli, Juliette; Bolte, Michael; Bats, Jan; Manolikakes, Georg","Modular Two-Step Approach for the Stereodivergent Synthesis of 1,3-Diamines with Three Continuous Stereocenters.","Organic letters","2017","19","3","674","677","10.1021/acs.orglett.6b03841","","","0.71073","MoKα","","0.1285","0.0505","","","0.0941","0.1131","","","","","","0.801","","","","has coordinates","239325","2020-10-21","18:00:00",""
"1556004","9.715","0.0018","11.622","0.002","13.28","0.002","64.317","0.012","86.248","0.015","74.246","0.013","1298.2","0.4","173","2","173","2","","","","","","","","4","P -1","-P 1","2","","","","- C28 H26 N2 O3 -","- C28 H26 N2 O3 -","- C56 H52 N4 O6 -","2","1","","Halli, Juliette; Bolte, Michael; Bats, Jan; Manolikakes, Georg","Modular Two-Step Approach for the Stereodivergent Synthesis of 1,3-Diamines with Three Continuous Stereocenters.","Organic letters","2017","19","3","674","677","10.1021/acs.orglett.6b03841","","","0.71073","MoKα","","0.1683","0.077","","","0.1536","0.1859","","","","","","0.901","","","","has coordinates","239326","2020-10-21","18:00:00",""
"1556005","11.5919","0.0007","14.5845","0.0007","13.8674","0.0009","90","","97.872","0.005","90","","2322.4","0.2","173","2","173","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C26 H30 N2 O3 -","- C26 H30 N2 O3 -","- C104 H120 N8 O12 -","4","1","","Halli, Juliette; Bolte, Michael; Bats, Jan; Manolikakes, Georg","Modular Two-Step Approach for the Stereodivergent Synthesis of 1,3-Diamines with Three Continuous Stereocenters.","Organic letters","2017","19","3","674","677","10.1021/acs.orglett.6b03841","","","0.71073","MoKα","","0.0586","0.0455","","","0.1094","0.1152","","","","","","1.09","","","","has coordinates","239327","2020-10-21","18:00:00",""
"1556006","10.3241","0.001","23.365","0.002","13.7004","0.0014","90","","99.642","0.008","90","","3258.2","0.5","173","2","173","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C34 H36 Cl2 N2 O5 -","- C34 H36 Cl2 N2 O5 -","- C136 H144 Cl8 N8 O20 -","4","1","","Halli, Juliette; Bolte, Michael; Bats, Jan; Manolikakes, Georg","Modular Two-Step Approach for the Stereodivergent Synthesis of 1,3-Diamines with Three Continuous Stereocenters.","Organic letters","2017","19","3","674","677","10.1021/acs.orglett.6b03841","","","0.71073","MoKα","","0.2291","0.1213","","","0.2611","0.3204","","","","","","1.06","","","","has coordinates","239328","2020-10-21","18:00:00",""
"1556007","13.9135","0.0007","11.8443","0.0005","18.4125","0.001","90","","108.518","0.004","90","","2877.2","0.3","173","2","173","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C33 H34 N2 O5 -","- C33 H34 N2 O5 -","- C132 H136 N8 O20 -","4","1","","Halli, Juliette; Bolte, Michael; Bats, Jan; Manolikakes, Georg","Modular Two-Step Approach for the Stereodivergent Synthesis of 1,3-Diamines with Three Continuous Stereocenters.","Organic letters","2017","19","3","674","677","10.1021/acs.orglett.6b03841","","","0.71073","MoKα","","0.06","0.0471","","","0.1108","0.1166","","","","","","1.101","","","","has coordinates","239329","2020-10-21","18:00:00",""
"1556008","18.4813","0.0006","18.4813","0.0006","16.4257","0.0005","90","","90","","120","","4858.7","0.3","173","2","173","2","","","","","","","","6","P 32 2 1","P 32 2""","154","","","","- C29.5 H29 Cl N2 O3 S -","- C29.5 H29 Cl N2 O3 S -","- C177 H174 Cl6 N12 O18 S6 -","6","1","","Halli, Juliette; Bolte, Michael; Bats, Jan; Manolikakes, Georg","Modular Two-Step Approach for the Stereodivergent Synthesis of 1,3-Diamines with Three Continuous Stereocenters.","Organic letters","2017","19","3","674","677","10.1021/acs.orglett.6b03841","","","0.71073","MoKα","","0.0703","0.0655","","","0.1751","0.1788","","","","","","1.088","","","","has coordinates,has disorder","239330","2020-10-21","18:00:00",""
"1556009","9.5688","0.0006","10.3956","0.0004","23.8948","0.0015","90","","96.847","0.005","90","","2359.9","0.2","173","2","173","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C26 H30 N2 O3 -","- C26 H30 N2 O3 -","- C104 H120 N8 O12 -","4","1","","Halli, Juliette; Bolte, Michael; Bats, Jan; Manolikakes, Georg","Modular Two-Step Approach for the Stereodivergent Synthesis of 1,3-Diamines with Three Continuous Stereocenters.","Organic letters","2017","19","3","674","677","10.1021/acs.orglett.6b03841","","","0.71073","MoKα","","0.0651","0.0476","","","0.1111","0.1187","","","","","","1.032","","","","has coordinates","239331","2020-10-21","18:00:00",""
"1556010","10.9969","0.001","11.8906","0.0011","15.8497","0.0014","90","","106.796","0.001","90","","1984.1","0.3","189","2","189","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C24 H24 N2 O2 -","- C24 H24 N2 O2 -","- C96 H96 N8 O8 -","4","1","","Halli, Juliette; Bolte, Michael; Bats, Jan; Manolikakes, Georg","Modular Two-Step Approach for the Stereodivergent Synthesis of 1,3-Diamines with Three Continuous Stereocenters.","Organic letters","2017","19","3","674","677","10.1021/acs.orglett.6b03841","","","0.71073","MoKα","","0.0856","0.0592","","","0.0988","0.1082","","","","","","1.097","","","","has coordinates","239332","2020-10-21","18:00:00",""
"1556011","16.2583","0.0008","8.9359","0.0003","19.545","0.001","90","","95.231","0.004","90","","2827.7","0.2","173","2","173","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C33 H34 N2 O5 -","- C33 H34 N2 O5 -","- C132 H136 N8 O20 -","4","1","","Halli, Juliette; Bolte, Michael; Bats, Jan; Manolikakes, Georg","Modular Two-Step Approach for the Stereodivergent Synthesis of 1,3-Diamines with Three Continuous Stereocenters.","Organic letters","2017","19","3","674","677","10.1021/acs.orglett.6b03841","","","0.71073","MoKα","","0.0625","0.0499","","","0.123","0.1294","","","","","","1.07","","","","has coordinates","239333","2020-10-21","18:00:00",""
"1556012","15.2433","0.0013","10.1136","0.0006","14.943","0.0012","90","","94.937","0.007","90","","2295.1","0.3","173","2","173","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C26 H30 N2 O3 -","- C26 H30 N2 O3 -","- C104 H120 N8 O12 -","4","1","","Halli, Juliette; Bolte, Michael; Bats, Jan; Manolikakes, Georg","Modular Two-Step Approach for the Stereodivergent Synthesis of 1,3-Diamines with Three Continuous Stereocenters.","Organic letters","2017","19","3","674","677","10.1021/acs.orglett.6b03841","","","0.71073","MoKα","","0.0781","0.0509","","","0.107","0.1169","","","","","","1.036","","","","has coordinates","239334","2020-10-21","18:00:00",""
"1556013","7.8226","0.0008","30.639","0.002","10.1141","0.0011","90","","98.682","0.008","90","","2396.3","0.4","173","2","173","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C29 H28 N2 O3 -","- C29 H28 N2 O3 -","- C116 H112 N8 O12 -","4","1","","Halli, Juliette; Bolte, Michael; Bats, Jan; Manolikakes, Georg","Modular Two-Step Approach for the Stereodivergent Synthesis of 1,3-Diamines with Three Continuous Stereocenters.","Organic letters","2017","19","3","674","677","10.1021/acs.orglett.6b03841","","","0.71073","MoKα","","0.1216","0.0536","","","0.1089","0.1274","","","","","","0.824","","","","has coordinates","239335","2020-10-21","18:00:00",""
"1556014","8.6571","0.0003","29.45","0.0007","10.2183","0.0003","90","","98.7924","0.0009","90","","2574.56","0.13","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C29 H28 N2 O3 S -","- C29 H28 N2 O3 S -","- C116 H112 N8 O12 S4 -","4","1","","Halli, Juliette; Bolte, Michael; Bats, Jan; Manolikakes, Georg","Modular Two-Step Approach for the Stereodivergent Synthesis of 1,3-Diamines with Three Continuous Stereocenters.","Organic letters","2017","19","3","674","677","10.1021/acs.orglett.6b03841","","","1.54178","CuKα","","0.0513","0.049","","","0.1449","0.1471","","","","","","1.065","","","","has coordinates","239336","2020-10-21","18:00:00",""
"1556015","17.3068","0.0006","12.0144","0.0004","22.5999","0.0007","90","","96.044","0.003","90","","4673.1","0.3","173","2","173","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C26 H30 N2 O3 -","- C26 H30 N2 O3 -","- C208 H240 N16 O24 -","8","1","","Halli, Juliette; Bolte, Michael; Bats, Jan; Manolikakes, Georg","Modular Two-Step Approach for the Stereodivergent Synthesis of 1,3-Diamines with Three Continuous Stereocenters.","Organic letters","2017","19","3","674","677","10.1021/acs.orglett.6b03841","","","0.71073","MoKα","","0.0611","0.0525","","","0.1341","0.1396","","","","","","1.069","","","","has coordinates","239337","2020-10-21","18:00:00",""
"1556016","22.49","0.007","5.1816","0.001","20.19","0.007","90","","90.78","0.03","90","","2352.6","1.2","173","2","173","2","","","","","","","","4","C 1 2 1","C 2y","5","","","","- C29 H28 N2 O3 -","- C29 H28 N2 O3 -","- C116 H112 N8 O12 -","4","1","","Halli, Juliette; Bolte, Michael; Bats, Jan; Manolikakes, Georg","Modular Two-Step Approach for the Stereodivergent Synthesis of 1,3-Diamines with Three Continuous Stereocenters.","Organic letters","2017","19","3","674","677","10.1021/acs.orglett.6b03841","","","0.71073","MoKα","","0.2285","0.1175","","","0.2733","0.348","","","","","","0.911","","","","has coordinates","239338","2020-10-21","18:00:00",""
"1556017","19.7344","0.0013","12.7882","0.0006","20.279","0.0015","90","","97.031","0.006","90","","5079.3","0.6","173","2","173","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C29 H28 N2 O3 S -","- C29 H28 N2 O3 S -","- C232 H224 N16 O24 S8 -","8","2","","Halli, Juliette; Bolte, Michael; Bats, Jan; Manolikakes, Georg","Modular Two-Step Approach for the Stereodivergent Synthesis of 1,3-Diamines with Three Continuous Stereocenters.","Organic letters","2017","19","3","674","677","10.1021/acs.orglett.6b03841","","","0.71073","MoKα","","0.0983","0.0575","","","0.1276","0.1431","","","","","","1.016","","","","has coordinates,has disorder","239339","2020-10-21","18:00:00",""
"1556018","20.5553","0.0012","9.5675","0.0003","22.2196","0.0014","90","","115.687","0.007","90","","3937.9","0.4","296","2","296.15","","","","","","","","","4","C 1 2 1","C 2y","5","","","","- C23 H17 Cl O3 -","- C23 H17 Cl O3 -","- C184 H136 Cl8 O24 -","8","2","","Infante, Rebeca; Martin-Alvarez, Jose M; Andrés, Celia; Nieto, Javier","Dimethylzinc-Mediated Addition of Phenylacetylene to α-Diketones Catalyzed by Chiral Perhydro-1,3-benzoxazines.","Organic letters","2017","19","7","1516","1519","10.1021/acs.orglett.7b00252","","x-ray","0.71073","MoKα","","0.1155","0.0655","","","0.1597","0.1859","","","","","","1.029","","","","has coordinates","288075","2023-12-06","14:16:59",""
"1556019","8.4334","0.0007","9.1934","0.0008","16.9142","0.0015","90","","90","","90","","1311.4","0.2","100","2","100","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","compound 3b","compound 3b","","- C16 H11 F N2 O -","- C16 H11 F N2 O -","- C64 H44 F4 N8 O4 -","4","1","","Jin, Yushu; Chen, Ming; Ge, Shaozhong; Hartwig, John F.","Palladium-Catalyzed, Enantioselective α-Arylation of α-Fluorooxindoles.","Organic letters","2017","19","6","1390","1393","10.1021/acs.orglett.7b00294","","","1.54178","CuKα","","0.0444","0.041","","","0.1012","0.1045","","","","","","1.133","","","","has coordinates","239341","2020-10-21","18:00:00",""
"1556020","16.4017","0.0015","7.1335","0.0007","20.0858","0.0018","90","","95.665","0.003","90","","2338.6","0.4","290","2","290","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C15 H12 N2 O -","- C15 H12 N2 O -","- C120 H96 N16 O8 -","8","2","","Yin, Kun; Zhang, Ronghua","Transition-Metal-Free Direct C-H Arylation of Quinoxalin-2(1H)-ones with Diaryliodonium Salts at Room Temperature.","Organic letters","2017","19","7","1530","1533","10.1021/acs.orglett.7b00310","","","0.71073","MoKα","","0.0639","0.0477","","","0.1171","0.128","","","","","","1.044","","","","has coordinates","239342","2020-10-21","18:00:00",""
"1556021","9.9288","0.0005","26.7988","0.0015","4.7384","0.0002","90","","90","","90","","1260.79","0.11","296","2","296","2","","","","","","","","4","P n a 21","P 2c -2n","33","","","","- C16 H14 N2 O -","- C16 H14 N2 O -","- C64 H56 N8 O4 -","4","1","","Yin, Kun; Zhang, Ronghua","Transition-Metal-Free Direct C-H Arylation of Quinoxalin-2(1H)-ones with Diaryliodonium Salts at Room Temperature.","Organic letters","2017","19","7","1530","1533","10.1021/acs.orglett.7b00310","","","0.71073","MoKα","","0.0547","0.0464","","","0.1077","0.1132","","","","","","1.092","","","","has coordinates","239342","2020-10-21","18:00:00",""
"1556022","4.0198","0.0008","13.908","0.003","23.21","0.005","90","","94.2","0.004","90","","1294.1","0.5","273","2","273","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C17 H13 N O -","- C17 H13 N O -","- C68 H52 N4 O4 -","4","1","","Wu, Xia; Geng, Xiao; Zhao, Peng; Zhang, Jingjing; Gong, Xingxing; Wu, Yan-Dong; Wu, An-Xin","I<sub>2</sub>-Promoted Povarov-Type Reaction Using 1,4-Dithane-2,5-diol as an Ethylene Surrogate: Formal [4 + 2] Synthesis of Quinolines.","Organic letters","2017","19","7","1550","1553","10.1021/acs.orglett.7b00361","","","0.71073","MoKα","","0.0848","0.051","","","0.1374","0.1589","","","","","","1.041","","","","has coordinates","239343","2020-10-21","18:00:00",""
"1556023","9.9321","0.0016","22.705","0.004","19.824","0.003","90","","98.538","0.003","90","","4420.9","1.3","296","2","296","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C11 H13 N S2 -","- C11 H13 N S2 -","- C176 H208 N16 S32 -","16","8","","Wu, Xia; Geng, Xiao; Zhao, Peng; Zhang, Jingjing; Gong, Xingxing; Wu, Yan-Dong; Wu, An-Xin","I<sub>2</sub>-Promoted Povarov-Type Reaction Using 1,4-Dithane-2,5-diol as an Ethylene Surrogate: Formal [4 + 2] Synthesis of Quinolines.","Organic letters","2017","19","7","1550","1553","10.1021/acs.orglett.7b00361","","","0.71073","MoKα","","0.09","0.045","","","0.0992","0.1208","","","","","","0.974","","","","has coordinates","239344","2020-10-21","18:00:00",""
"1556024","10.4789","0.0009","12.074","0.0011","12.5011","0.0011","92.552","0.007","94.697","0.007","98.319","0.007","1557.2","0.2","293","2","293","2","","","","","","","","4","P -1","-P 1","2","","","","- C43 H30 N2 O2 -","- C43 H30 N2 O2 -","- C86 H60 N4 O4 -","2","1","","Feng, Yadong; Tian, Nian; Li, Yudong; Jia, Chunqi; Li, Xuening; Wang, Lianhui; Cui, Xiuling","Construction of Fused Polyheterocycles through Sequential [4 + 2] and [3 + 2] Cycloadditions.","Organic letters","2017","19","7","1658","1661","10.1021/acs.orglett.7b00452","","x-ray","0.71073","MoKα","","0.1022","0.0583","","","0.135","0.1667","","","","","","1.027","","","","has coordinates","239345","2020-10-21","18:00:00",""
"1556025","18.5446","0.001","17.7946","0.0009","18.9442","0.001","90","","90","","90","","6251.5","0.6","293","2","293","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C42 H28 N2 O2 -","- C42 H28 N2 O2 -","- C336 H224 N16 O16 -","8","1","","Feng, Yadong; Tian, Nian; Li, Yudong; Jia, Chunqi; Li, Xuening; Wang, Lianhui; Cui, Xiuling","Construction of Fused Polyheterocycles through Sequential [4 + 2] and [3 + 2] Cycloadditions.","Organic letters","2017","19","7","1658","1661","10.1021/acs.orglett.7b00452","","x-ray","0.71073","MoKα","","0.0851","0.0537","","","0.1133","0.1301","","","","","","1.046","","","","has coordinates","239346","2020-10-21","18:00:00",""
"1556026","11.0032","0.0009","12.6313","0.001","14.724","0.0012","98.868","0.001","96.16","0.001","102.84","0.001","1950","0.3","173","2","173","2","","","","","","","","7","P -1","-P 1","2","","","","- C47 H36 Cl2 N4 O S Zn -","- C47 H36 Cl2 N4 O S Zn -","- C94 H72 Cl4 N8 O2 S2 Zn2 -","2","1","","Gholami, Hadi; Zhang, Jun; Anyika, Mercy; Borhan, Babak","Absolute Stereochemical Determination of Asymmetric Sulfoxides via Central to Axial Induction of Chirality.","Organic letters","2017","19","7","1722","1725","10.1021/acs.orglett.7b00495","","","0.71073","MoKα","","0.0545","0.0438","","","0.1078","0.1164","","","","","","1.062","","","","has coordinates,has disorder","239347","2020-10-21","18:00:00",""
"1556027","10.6689","0.001","10.8762","0.001","18.2817","0.0017","83.457","0.001","84.152","0.001","77.519","0.001","2051.2","0.3","173","2","173","2","","","","","","","","6","P 1","P 1","1","","","","- C51 H37 N5 O S Zn -","- C51 H37 N5 O S Zn -","- C102 H74 N10 O2 S2 Zn2 -","2","2","","Gholami, Hadi; Zhang, Jun; Anyika, Mercy; Borhan, Babak","Absolute Stereochemical Determination of Asymmetric Sulfoxides via Central to Axial Induction of Chirality.","Organic letters","2017","19","7","1722","1725","10.1021/acs.orglett.7b00495","","","0.71073","MoKα","","0.0517","0.0415","","","0.1007","0.1067","","","","","","0.994","","","","has coordinates","239348","2020-10-21","18:00:00",""
"1556028","9.624","0.004","31.096","0.016","13.229","0.007","90","","91.141","0.01","90","","3958","3","293","2","293","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C32 H27 Br O2 -","- C32 H27 Br O2 -","- C192 H162 Br6 O12 -","6","3","","Perveen, Saima; Zhao, Zhifei; Zhang, Guoxiang; Liu, Jian; Anwar, Muhammad; Fang, Xinqiang","Enantioselective Synthesis of 1,2-Dihydronaphthalenes via Oxidative N-Heterocyclic Carbene Catalysis.","Organic letters","2017","19","10","2470","2473","10.1021/acs.orglett.7b00555","","","0.71073","MoKα","","0.1837","0.107","","","0.1661","0.1981","","","","","","1.151","","","","has coordinates","239349","2020-10-21","18:00:00",""
"1556029","9.9734","0.0002","11.3386","0.0002","15.3837","0.0002","79.9686","0.001","85.4756","0.0011","79.5603","0.0011","1682.69","0.05","100","2","100","2","","","","","","","","3","P -1","-P 1","2","","","","- C94 H64 O2 -","- C94 H64 O2 -","- C94 H64 O2 -","1","0.5","","Vadehra, Geeta S.; Jiang, Xing; Dotson, Jordan J.; Chu, Gong M.; Garcia-Garibay, Miguel A","High-Yielding and Divergent Paradigm for the Synthesis of D<sub>2h</sub>-Symmetric Octakis-Substituted Pentiptycenequinones.","Organic letters","2017","19","7","1838","1841","10.1021/acs.orglett.7b00606","","","1.54178","CuKα","","0.0517","0.0393","","","0.1013","0.1071","","","","","","1.048","","","","has coordinates","239350","2020-10-21","18:00:00",""
"1556030","11.0167","0.0004","8.4713","0.0003","13.145","0.0005","90","","112.969","0.004","90","","1129.5","0.08","294.16","0.13","294.16","0.13","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C24 H26 N2 O6 -","- C24 H26 N2 O6 -","- C48 H52 N4 O12 -","2","1","","Ran, Guang-Yao; Gong, Ming; Yue, Jing-Fei; Yang, Xing-Xing; Zhou, Su-Lan; Du, Wei; Chen, Ying-Chun","Asymmetric Cascade Assembly of 1,2-Diaza-1,3-dienes and α,β-Unsaturated Aldehydes via Dienamine Activation.","Organic letters","2017","19","7","1874","1877","10.1021/acs.orglett.7b00636","","x-ray","1.54184","CuKα","","0.0543","0.0529","","","0.1352","0.1376","","","","","","1.037","","","","has coordinates","239351","2020-10-21","18:00:00",""
"1556031","12.0277","0.0005","13.0209","0.0004","8.1447","0.0003","90","","106.121","0.004","90","","1225.4","0.08","150","2","150","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","3-benzoyl-1,1-dioxo-1,2-benzothiazolidine","","- C14 H9 N O3 S -","- C14 H9 N O3 S -","- C56 H36 N4 O12 S4 -","4","1","","Jeran, Marko; Cotman, Andrej Emanuel; Stephan, Michel; Mohar, Barbara","Stereopure Functionalized Benzosultams via Ruthenium(II)-Catalyzed Dynamic Kinetic Resolution-Asymmetric Transfer Hydrogenation.","Organic letters","2017","19","8","2042","2045","10.1021/acs.orglett.7b00670","","","0.71073","MoKα","","0.0499","0.0377","","","0.0823","0.0917","","","","","","1.05","","","","has coordinates","239352","2020-10-21","18:00:00",""
"1556032","7.4865","0.0001","10.7242","0.0002","32.3467","0.0004","90","","90","","90","","2597.01","0.07","293","2","293","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","anti-(3R,1'R)-3-(alpha-hydroxybenzyl)-1,1- dioxo-1,2-benzothiazolidine","","- C14 H13 N O3 S -","- C14 H13 N O3 S -","- C112 H104 N8 O24 S8 -","8","2","","Jeran, Marko; Cotman, Andrej Emanuel; Stephan, Michel; Mohar, Barbara","Stereopure Functionalized Benzosultams via Ruthenium(II)-Catalyzed Dynamic Kinetic Resolution-Asymmetric Transfer Hydrogenation.","Organic letters","2017","19","8","2042","2045","10.1021/acs.orglett.7b00670","","","0.71073","MoKα","","0.0519","0.0439","","","0.1134","0.1196","","","","","","1.18","","","","has coordinates","239353","2020-10-21","18:00:00",""
"1556033","9.4952","0.0003","13.78766","0.00017","23.3234","0.0004","90","","90","","90","","3053.42","0.12","293","2","293","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","cis-(3R,4R)-4-hydroxy-3-phenyl-1,1-dioxo- 2H-1,2-benzothiazinane","","- C14 H12 N O3 S -","- C14 H12 N O3 S -","- C112 H96 N8 O24 S8 -","8","2","","Jeran, Marko; Cotman, Andrej Emanuel; Stephan, Michel; Mohar, Barbara","Stereopure Functionalized Benzosultams via Ruthenium(II)-Catalyzed Dynamic Kinetic Resolution-Asymmetric Transfer Hydrogenation.","Organic letters","2017","19","8","2042","2045","10.1021/acs.orglett.7b00670","","","1.54184","CuKα","","0.0423","0.0403","","","0.1083","0.1107","","","","","","1.035","","","","has coordinates","239354","2020-10-21","18:00:00",""
"1556034","9.4838","0.0003","10.5004","0.0004","21.1264","0.0007","90","","90.868","0.002","90","","2103.6","0.13","100","","100","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C24 H24 N2 O3 Se -","- C24 H24 N2 O3 Se -","- C96 H96 N8 O12 Se4 -","4","1","","Foley, Christopher; Shaw, Arthur; Hulme, Christopher","Oxidative Deaminations and Deisatinylations of Ugi-Azide and Ugi-3CR Products: A Two-Step MCR-Oxidation Protocol toward Functionalized α-Ketoamides and α-Ketotetrazoles.","Organic letters","2017","19","9","2238","2241","10.1021/acs.orglett.7b00710","","","0.71073","MoKα","","0.0529","0.0328","","","0.0716","0.0793","","","","","","1.015","","","","has coordinates","239355","2020-10-21","18:00:00",""
"1556035","7.7378","0.0003","6.7075","0.0002","12.6395","0.0005","90","","102.323","0.001","90","","640.89","0.04","100","","100","","","","","","","","","4","P 1 21/m 1","-P 2yb","11","","","","- C14 H16 N4 O -","- C14 H16 N4 O -","- C28 H32 N8 O2 -","2","0.5","","Foley, Christopher; Shaw, Arthur; Hulme, Christopher","Oxidative Deaminations and Deisatinylations of Ugi-Azide and Ugi-3CR Products: A Two-Step MCR-Oxidation Protocol toward Functionalized α-Ketoamides and α-Ketotetrazoles.","Organic letters","2017","19","9","2238","2241","10.1021/acs.orglett.7b00710","","","0.71073","MoKα","","0.034","0.0331","","","0.0875","0.0883","","","","","","1.05","","","","has coordinates,has disorder","239356","2020-10-21","18:00:00",""
"1556036","17.0714","0.0011","17.0714","0.0011","17.0714","0.0011","90","","90","","90","","4975.2","0.6","293","2","293","2","","","","","","","","6","I m -3 m","-I 4 2 3","229","","","","- C28 H44 Cl2 N8 Ni O2 -","- C28 H24 Cl2 N8 Ni O2 -","- C168 H144 Cl12 N48 Ni6 O12 -","6","0.0625","","Zhang, Xingjie; Xia, Aiyou; Chen, Haoyi; Liu, Yuanhong","General and Mild Nickel-Catalyzed Cyanation of Aryl/Heteroaryl Chlorides with Zn(CN)<sub>2</sub>: Key Roles of DMAP.","Organic letters","2017","19","8","2118","2121","10.1021/acs.orglett.7b00732","","","0.71073","MoKα","","0.0577","0.0505","","","0.1387","0.1448","","","","","","1.215","","","","has coordinates","239357","2020-10-21","18:00:00",""
"1556037","6.0965","0.0003","7.8294","0.0003","17.9271","0.0008","90","","96.951","0.002","90","","849.41","0.07","153","2","153","2","","","","","","","","3","P 1 21 1","P 2yb","4","","","","- C23 H18 O2 -","- C23 H18 O2 -","- C46 H36 O4 -","2","1","","Zhang, Jingfang; Tang, Yuhai; Wei, Wen; Wu, Yong; Li, Yang; Zhang, Junjie; Zheng, Yuansuo; Xu, Silong","Organocatalytic Cloke-Wilson Rearrangement: DABCO-Catalyzed Ring Expansion of Cyclopropyl Ketones to 2,3-Dihydrofurans.","Organic letters","2017","19","12","3043","3046","10.1021/acs.orglett.7b00805","","","0.71073","MoKα","","0.0649","0.0523","","","0.1331","0.1389","","","","","","1.054","","","","has coordinates","239358","2020-10-21","18:00:00",""
"1556038","9.47","0.0019","15.075","0.003","17.824","0.004","90","","90","","90","","2544.6","0.9","295","2","295","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C26 H34 O4 Si -","- C26 H34 O4 Si -","- C104 H136 O16 Si4 -","4","1","","Han, Man-Yi; Xie, Xiaoyu; Zhou, Di; Li, Pinhua; Wang, Lei","Organocatalyzed Direct Aldol Reaction of Silyl Glyoxylates for the Synthesis of α-Hydroxysilanes.","Organic letters","2017","19","9","2282","2285","10.1021/acs.orglett.7b00811","","","0.71073","MoKα","","0.0519","0.0423","","","0.1132","0.1225","","","","","","1.047","","","","has coordinates","239359","2020-10-21","18:00:00",""
"1556039","5.8132","0.0014","8.851","0.002","31.166","0.008","90","","90","","90","","1603.6","0.7","296","2","296.15","","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C16 H13 Br F3 N O3 -","- C16 H13 Br F3 N O3 -","- C64 H52 Br4 F12 N4 O12 -","4","1","","Wang, Pei; Li, Hong-Feng; Zhao, Jia-Zhen; Du, Zhi-Hong; Da, Chao-Shan","Organocatalytic Enantioselective Cross-Aldol Reaction of o-Hydroxyarylketones and Trifluoromethyl Ketones.","Organic letters","2017","19","10","2634","2637","10.1021/acs.orglett.7b00828","","","0.71073","MoKα","","0.0725","0.045","","","0.0947","0.1037","","","","","","1.004","","","","has coordinates","239360","2020-10-21","18:00:00",""
"1556040","5.5413","0.0001","15.8031","0.0003","45.3572","0.001","90","","90","","90","","3971.92","0.14","150","","150","","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C22 H26 O4 S -","- C22 H26 O4 S -","- C176 H208 O32 S8 -","8","1","","Zhurakovskyi, Oleksandr; Ellis, Sam R.; Thompson, Amber L.; Robertson, Jeremy","Access to a Guanacastepene and Cortistatin-Related Skeleton via Ethynyl Lactone Ireland-Claisen Rearrangement and Transannular (4 + 3)-Cycloaddition of an Azatrimethylenemethane Diyl.","Organic letters","2017","19","8","2174","2177","10.1021/acs.orglett.7b00834","","","0.6889","synchrotron","","0.0456","0.0389","","0.1036","0.0908","0.1036","","","","","","0.9967","","","","has coordinates","239361","2020-10-21","18:00:00",""
"1556041","31.5316","0.001","31.5316","0.001","18.8701","0.0012","90","","90","","90","","18761.4","1.5","100","","100","","","","","","","","","6","I 41 c d","I 4bw -2c","110","","","","- C19 H37 Br Cu N3 P2 -","- C19 H37 Br Cu N3 P2 -","- C608 H1184 Br32 Cu32 N96 P64 -","32","2","","Mastalir, Matthias; Pittenauer, Ernst; Stöger, Berthold; Allmaier, Günter; Kirchner, Karl","Three Different Reactions, One Catalyst: A Cu(I) PNP Pincer Complex as Catalyst for C-C and C-N Cross-Couplings.","Organic letters","2017","19","8","2178","2181","10.1021/acs.orglett.7b00857","","x-ray","0.71073","MoKα","","0.0324","0.0228","","","0.0233","0.0243","","","","1.04","1.04","1","","","","has coordinates","239362","2020-10-21","18:00:00",""
"1556042","5.3756","0.00005","8.23448","0.00007","44.3104","0.0004","90","","90","","90","","1961.41","0.03","99.94","0.19","99.94","0.19","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C27 H22 O S -","- C27 H22 O S -","- C108 H88 O4 S4 -","4","1","","Wang, Zhaobin; Sun, Jianwei","Enantioselective [4 + 2] Cycloaddition of o-Quinone Methides and Vinyl Sulfides: Indirect Access to Generally Substituted Chiral Chromanes.","Organic letters","2017","19","9","2334","2337","10.1021/acs.orglett.7b00867","","x-ray","1.54184","CuKα","","0.0236","0.0232","","","0.0599","0.0602","","","","","","1.002","","","","has coordinates","239363","2020-10-21","18:00:00",""
"1556043","16.1302","0.0011","7.5328","0.0005","12.1195","0.0013","90","","90.161","0.007","90","","1472.6","0.2","298","2","298","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C11 H10 F7 N3 O2 -","- C11 H7 F7 N3 O2 -","- C44 H28 F28 N12 O8 -","4","1","","Wang, Rui; Guan, Wei; Han, Zheng-Bo; Liang, Fushun; Suga, Takeo; Bi, Xihe; Nishide, Hiroyuki","Ambient-Light-Promoted Three-Component Annulation: Synthesis of Perfluoroalkylated Pyrimidines.","Organic letters","2017","19","9","2358","2361","10.1021/acs.orglett.7b00894","","","0.71073","MoKα","","0.1327","0.0745","","","0.2102","0.2647","","","","","","1.03","","","","has coordinates","239364","2020-10-21","18:00:00",""
"1556044","9.5604","0.0006","11.3393","0.0008","12.5938","0.0008","64.094","0.007","79.058","0.005","86.136","0.005","1205.56","0.16","173","2","173","2","","","","","","","","5","P -1","-P 1","2","","","","- C25 H31 N O7 Si -","- C25 H31 N O7 Si -","- C50 H62 N2 O14 Si2 -","2","1","","Parsons, Philip J.; Jones, Daniel R.; Walsh, Lee J.; Allen, Lewis A. T.; Onwubiko, Ada; Preece, Lewis; Board, Johnathan; White, Andrew J. P.","An Approach to the Core of Lactonamycin.","Organic letters","2017","19","10","2533","2535","10.1021/acs.orglett.7b00902","","","1.54184","CuKα","","0.0667","0.0491","","","0.122","0.1397","","","","","","1.034","","","","has coordinates","239365","2020-10-21","18:00:00",""
"1556045","17.9303","0.0008","6.8625","0.0003","13.4226","0.0006","90","","99.456","0.003","90","","1629.16","0.13","123","","123","","","","","","","","","3","C 1 2 1","C 2y","5","","","","- C19 H20 O3 -","- C19 H20 O3 -","- C76 H80 O12 -","4","1","","Iwamoto, Hiroaki; Akiyama, Sota; Hayama, Keiichi; Ito, Hajime","Copper(I)-Catalyzed Stereo- and Chemoselective Borylative Radical Cyclization of Alkyl Halides Bearing an Alkene Moiety.","Organic letters","2017","19","10","2614","2617","10.1021/acs.orglett.7b00940","","","1.54187","CuKα","","0.0812","0.0395","","","0.077","0.1104","","","","","","1.17","","","","has coordinates","239366","2020-10-21","18:00:00",""
"1556046","5.541","0.004","15.387","0.012","22.574","0.018","90","","90","","90","","1925","3","120","","120","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C12 H6 O S2 -","- C12 H6 O S2 -","- C96 H48 O8 S16 -","8","1","","Mitsudo, Koichi; Kurimoto, Yuji; Mandai, Hiroki; Suga, Seiji","Synthesis of 3-Benzo[b]thienyl 3-Thienyl Ether via an Addition-Elimination Reaction and Its Transformation to an Oxygen-Fused Dithiophene Skeleton: Synthesis and Properties of Benzodithienofuran and Its π-Extended Derivatives.","Organic letters","2017","19","11","2821","2824","10.1021/acs.orglett.7b00969","","","0.71075","MoKα","","0.1429","0.1377","","","0.2094","0.2114","","","","","","1.581","","","","has coordinates","239367","2020-10-21","18:00:00",""
"1556047","8.0471","0.0004","16.3426","0.0008","29.6614","0.0017","90","","90","","90","","3900.8","0.4","293","2","293","2","","","","","","","","6","P b c a","-P 2ac 2ab","61","","","","- C19 H26 Cl N2 O Rh -","- C19 H26 Cl N2 O Rh -","- C152 H208 Cl8 N16 O8 Rh8 -","8","1","","Long, Zhen; Yang, Yudong; You, Jingsong","Rh(III)-Catalyzed [4 + 1]-Annulation of Azoxy Compounds with Alkynes: A Regioselective Approach to 2H-Indazoles.","Organic letters","2017","19","11","2781","2784","10.1021/acs.orglett.7b00982","","x-ray","1.54184","CuKα","","0.1071","0.097","","","0.2634","0.2881","","","","","","1.085","","","","has coordinates","239368","2020-10-21","18:00:00",""
"1556048","7.58618","0.00009","16.9757","0.0002","15.6843","0.0002","90","","93.0656","0.0011","90","","2016.94","0.04","294.39","0.1","294.39","0.1","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C22 H24 Cl N2 O Rh -","- C22 H24 Cl N2 O Rh -","- C88 H96 Cl4 N8 O4 Rh4 -","4","1","","Long, Zhen; Yang, Yudong; You, Jingsong","Rh(III)-Catalyzed [4 + 1]-Annulation of Azoxy Compounds with Alkynes: A Regioselective Approach to 2H-Indazoles.","Organic letters","2017","19","11","2781","2784","10.1021/acs.orglett.7b00982","","x-ray","1.54184","CuKα","","0.0553","0.0511","","","0.1379","0.1441","","","","","","1.036","","","","has coordinates","239369","2020-10-21","18:00:00",""
"1556049","12.6554","0.0009","19.7134","0.001","21.0374","0.0011","72.334","0.005","80.809","0.005","82.734","0.005","4919.7","0.5","173","2","173","2","","","","","","","","5","P -1","-P 1","2","","","","- C116 H112 Cl2 N10 Ni -","- C116 H105.976 Cl2 N10 Ni -","- C232 H211.952 Cl4 N20 Ni2 -","2","1","","Yin, Bangshao; Kim, Taeyeon; Zhou, Mingbo; Huang, Weiming; Kim, Dongho; Song, Jianxin","Porphyrin-Azobenzene-Bodipy Triads: Syntheses, Structures, and Photophysical Properties.","Organic letters","2017","19","10","2654","2657","10.1021/acs.orglett.7b00988","","","1.54184","CUKα","","0.1047","0.0797","","","0.2283","0.2576","","","","","","1.068","","","","has coordinates,has disorder","239370","2020-10-21","18:00:00",""
"1556050","11.4379","0.0006","12.8956","0.0007","15.0848","0.0008","90","","90","","90","","2225","0.2","100","2","100","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C27 H23 N O3 S -","- C27 H23 N O3 S -","- C108 H92 N4 O12 S4 -","4","1","","Wang, Zhen; Xu, Huacheng; Su, Qin; Hu, Ping; Shao, Pan-Lin; He, Yun; Lu, Yixin","Enantioselective Synthesis of Tetrahydropyridines/Piperidines via Stepwise [4 + 2]/[2 + 2] Cyclizations.","Organic letters","2017","19","12","3111","3114","10.1021/acs.orglett.7b01221","","","0.71073","MoKα","","0.026","0.0253","","","0.0663","0.0669","","","","","","1.049","","","","has coordinates","239371","2020-10-21","18:00:00",""
"1556051","8.9355","0.0005","14.869","0.0006","20.8047","0.0011","90","","90","","90","","2764.2","0.2","293","2","293.15","","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C33 H26 Cl N O4 S -","- C33 H26 Cl N O4 S -","- C132 H104 Cl4 N4 O16 S4 -","4","1","","Wang, Zhen; Xu, Huacheng; Su, Qin; Hu, Ping; Shao, Pan-Lin; He, Yun; Lu, Yixin","Enantioselective Synthesis of Tetrahydropyridines/Piperidines via Stepwise [4 + 2]/[2 + 2] Cyclizations.","Organic letters","2017","19","12","3111","3114","10.1021/acs.orglett.7b01221","","x-ray","0.71073","MoKα","","0.0617","0.0467","","","0.0993","0.1099","","","","","","1.017","","","","has coordinates","239372","2020-10-21","18:00:00",""
"1556052","22.6919","0.0017","27.504","0.002","32.801","0.002","90","","93.8825","0.0019","90","","20425","2","100","2","100","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C204 H280 N24 O20 S12 -","- C203.999 H279.998 N24 O19.9996 S11.9996 -","- C815.997 H1119.99 N96 O79.9984 S47.9984 -","4","1","","Cholewiak, Agnieszka; Tycz, Agnieszka; Jurczak, Janusz","8-Propyldithieno[3,2-b:2',3'-e]pyridine-3,5-diamine (DITIPIRAM) Derivatives as Neutral Receptors Tailored for Binding of Carboxylates.","Organic letters","2017","19","11","3001","3004","10.1021/acs.orglett.7b01235","","","0.71073","MoKα","","0.0775","0.0518","","","0.1212","0.1365","","","","","","1.069","","","","has coordinates,has disorder","239373","2020-10-21","18:00:00",""
"1556053","21.5482","0.0011","6.1634","0.0003","16.9021","0.0007","90","","111.981","0.003","90","","2081.59","0.18","120","2","120","2","","","","","","","","5","C 1 2 1","C 2y","5","","(3S,4S,5S)-benzyl 3-(4-chlorophenyl)-4-formyl- 5-(2-methoxy-2-oxoethyl)-1,2-oxazinane-2-carboxylate","","- C22 H22 Cl N O6 -","- C22 H22 Cl N O6 -","- C88 H88 Cl4 N4 O24 -","4","1","","Drelich, Piotr; Moczulski, Marek; Albrecht, Łukasz","d<sup>0</sup>a<sup>3</sup> Synthon Equivalents for the Stereocontrolled Synthesis of Functionalized 1,4-Amino Alcohol Precursors.","Organic letters","2017","19","12","3143","3146","10.1021/acs.orglett.7b01268","","","1.54178","CuKα","","0.0244","0.0244","","","0.0674","0.0674","","","","","","1.065","","","","has coordinates","239374","2020-10-21","18:00:00",""
"1556054","7.8427","0.0008","22.614","0.002","18.528","0.002","90","","93.229","0.002","90","","3280.8","0.6","293","2","293","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C19 H18 N2 O2 S -","- C19 H18 N2 O2 S -","- C152 H144 N16 O16 S8 -","8","2","","Wang, Xingyong; Liu, Chulong; Zeng, Xiaobao; Wang, Xuesong; Wang, Xinyan; Hu, Yuefei","Ruthenium-Catalyzed Synthesis of Fused Tricyclic 1H-2,3-Dihydropyrimido[1,2-a]quinolines in One Step.","Organic letters","2017","19","13","3378","3381","10.1021/acs.orglett.7b01330","","","0.71073","MoKα","","0.0805","0.0507","","","0.1264","0.1432","","","","","","1.03","","","","has coordinates,has disorder","279649","2022-11-30","18:17:27",""
"1556055","20.4899","0.0008","9.7314","0.0005","10.0601","0.0005","90","","101.493","0.004","90","","1965.72","0.16","291.17","0.1","291.17","0.1","","","","","","","","5","C 1 2 1","C 2y","5","","","","- C19 H19 Cl N6 O -","- C19 H19 Cl N6 O -","- C76 H76 Cl4 N24 O4 -","4","1","","Li, Dan; Wang, Kezhou; Wang, Linqing; Wang, Yuan; Wang, Pengxin; Liu, Xin; Yang, Dongxu; Wang, Rui","Magnesium Catalysis Mediated Tetrazoles in Desymmetrization Reaction of Aziridines.","Organic letters","2017","19","12","3211","3214","10.1021/acs.orglett.7b01333","","x-ray","0.71073","MoKα","","0.061","0.0488","","","0.1097","0.1229","","","","","","1.043","","","","has coordinates","239376","2020-10-21","18:00:00",""
"1556056","7.1969","0.0002","9.884","0.0003","38.6328","0.0012","90","","90","","90","","2748.11","0.14","133","2","133","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C17.5 H14 N2 O1.5 -","- C17.5 H14 N2 O1.5 -","- C140 H112 N16 O12 -","8","2","","Mei, Guang-Jian; Bian, Chen-Yu; Li, Guo-Hao; Xu, Shao-Li; Zheng, Wen-Qin; Shi, Feng","Catalytic Asymmetric Construction of the Tryptanthrin Skeleton via an Enantioselective Decarboxylative [4 + 2] Cyclization.","Organic letters","2017","19","12","3219","3222","10.1021/acs.orglett.7b01336","","","1.54178","CuKα","","0.0436","0.0414","","","0.1059","0.1077","","","","","","1.031","","","","has coordinates","275856","2022-06-07","07:08:27",""
"1556057","8.0739","0.0005","10.2485","0.0008","27.568","0.002","90","","90","","90","","2281.1","0.3","130","2","130","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C14 H10 N2 O2 -","- C14 H10 N2 O2 -","- C112 H80 N16 O16 -","8","1","","Jones, D. Heulyn; Kay, Steven T.; McLellan, Jayde A.; Kennedy, Alan R.; Tomkinson, Nicholas C. O.","Regioselective Three-Component Reaction of Pyridine N-Oxides, Acyl Chlorides, and Cyclic Ethers.","Organic letters","2017","19","13","3512","3515","10.1021/acs.orglett.7b01481","","","0.71073","MoKα","","0.0658","0.0454","","","0.0974","0.1075","","","","","","1.032","","","","has coordinates","239378","2020-10-21","18:00:00",""
"1556058","34.507","0.003","7.3494","0.0006","13.4613","0.0012","90","","110.662","0.01","90","","3194.3","0.5","130","2","130","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C18 H18 N2 O3 -","- C18 H18 N2 O3 -","- C144 H144 N16 O24 -","8","1","","Jones, D. Heulyn; Kay, Steven T.; McLellan, Jayde A.; Kennedy, Alan R.; Tomkinson, Nicholas C. O.","Regioselective Three-Component Reaction of Pyridine N-Oxides, Acyl Chlorides, and Cyclic Ethers.","Organic letters","2017","19","13","3512","3515","10.1021/acs.orglett.7b01481","","","0.71073","MoKα","","0.0632","0.0435","","","0.1108","0.1242","","","","","","1.021","","","","has coordinates","239378","2020-10-21","18:00:00",""
"1556059","4.8303","0.0006","9.8898","0.0013","22.174","0.003","99.193","0.005","94.117","0.005","98.243","0.005","1030","0.2","296","2","296","2","","","","","","","","3","P -1","-P 1","2","","","","- C26 H22 N4 -","- C26 H22 N4 -","- C52 H44 N8 -","2","1","","Nallagangula, Madhu; Namitharan, Kayambu","Copper-Catalyzed Sulfonyl Azide-Alkyne Cycloaddition Reactions: Simultaneous Generation and Trapping of Copper-Triazoles and -Ketenimines for the Synthesis of Triazolopyrimidines.","Organic letters","2017","19","13","3536","3539","10.1021/acs.orglett.7b01500","","","0.71073","MoKα","","0.1509","0.0727","","","0.1864","0.2363","","","","","","1.057","","","","has coordinates","239379","2020-10-21","18:00:00",""
"1556060","9.5791","0.0001","8.5119","0.0001","15.0831","0.0002","90","","100.912","0.0015","90","","1207.58","0.03","150","","150","","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C20 H34 O10 Si -","- C20 H34 O10 Si -","- C40 H68 O20 Si2 -","2","1","","Fegheh-Hassanpour, Younes; Arif, Tanzeel; Sintim, Herman O.; Al Mamari, Hamad H.; Hodgson, David M.","Synthesis of (-)-6,7-Dideoxysqualestatin H5 by Carbonyl Ylide Cycloaddition-Rearrangement and Cross-electrophile Coupling.","Organic letters","2017","19","13","3540","3543","10.1021/acs.orglett.7b01513","","","1.54184","CuKα","","0.0249","0.0248","","0.0661","0.066","0.0661","","","","","","1.004","","","","has coordinates","239380","2020-10-21","18:00:00",""
"1556061","10.1616","0.0019","8.0804","0.0016","12.874","0.002","90","","98.272","0.004","90","","1046.1","0.3","173.15","","173.15","","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C21 H18 Br2 O5 -","- C21 H18 Br2 O5 -","- C42 H36 Br4 O10 -","2","1","","Zhong, Xingren; Lv, Jian; Luo, Sanzhong","Enantio- and Diastereoselective Cyclopropanation of β,γ-Unsaturated α-Ketoester by a Chiral Phosphate/Indium(III) Complex.","Organic letters","2017","19","12","3331","3334","10.1021/acs.orglett.7b01577","","","0.71073","MoKα","","0.0284","0.0276","","","0.0691","0.0697","","","","","","1.05","","","","has coordinates","239381","2020-10-21","18:00:00",""
"1556062","9.3826","0.0003","13.5881","0.0004","18.663","0.0005","90","","90","","90","","2379.38","0.12","93","","93","","","","","","","","","3","P b c a","-P 2ac 2ab","61","","","","- C14 H22 O2 -","- C14 H22 O2 -","- C112 H176 O16 -","8","1","","Takatori, Kazuhiko; Ota, Shoya; Tendo, Kenta; Matsunaga, Kazuma; Nagasawa, Kokoro; Watanabe, Shinya; Kishida, Atsushi; Kogen, Hiroshi; Nagaoka, Hiroto","Synthesis of Methylenebicyclo[3.2.1]octanol by a Sm(II)-Induced 1,2-Rearrangement Reaction with Ring Expansion of Methylenebicyclo[4.2.0]octanone.","Organic letters","2017","19","14","3763","3766","10.1021/acs.orglett.7b01604","","","1.54187","CuKα","","","0.0488","","","","0.126","","","","","","1.087","","","","has coordinates","239382","2020-10-21","18:00:00",""
"1556063","12.0435","0.0011","8.0033","0.0007","23.937","0.002","90","","102.088","0.003","90","","2256.1","0.3","100","2","100","","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C19 H38 O4 S Si -","- C19 H38 O4 S Si -","- C76 H152 O16 S4 Si4 -","4","2","","Santalla, Hugo; Faza, Olalla Nieto; Gómez, Generosa; Fall, Yagamare; Silva López, Carlos","From Hydrindane to Decalin: A Mild Transformation through a Dyotropic Ring Expansion.","Organic letters","2017","19","13","3648","3651","10.1021/acs.orglett.7b01621","","","0.71073","MoKα","","0.046","0.0401","","","0.0974","0.101","","","","","","1.046","","","","has coordinates","275856","2022-06-07","07:08:27",""
"1556064","8.6959","0.0017","9.773","0.002","8.8762","0.0018","90","","93.14","0.03","90","","753.2","0.3","173","2","173","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C16 H20 N2 O2 -","- C16 H20 N2 O2 -","- C32 H40 N4 O4 -","2","1","","Wang, Jie; Wang, Lili; Guo, Shan; Zha, Shanke; Zhu, Jin","Synthesis of 2,3-Benzodiazepines via Rh(III)-Catalyzed C-H Functionalization of N-Boc Hydrazones with Diazoketoesters.","Organic letters","2017","19","13","3640","3643","10.1021/acs.orglett.7b01642","","","1.54178","CuKα","","0.0291","0.0281","","","0.0729","0.0739","","","","","","1.043","","","","has coordinates","239384","2020-10-21","18:00:00",""
"1556065","34.436","0.005","8.0667","0.0012","24.298","0.006","90","","134.486","0.001","90","","4815.3","1.6","273","2","273","2","","","","","","","","3","C 1 2/c 1","-C 2yc","15","Compound10a_prime","","","- C15 H18 O -","- C15 H18 O -","- C240 H288 O16 -","16","2","","Su, Naijing; Deng, Tianning; Wink, Donald J.; Driver, Tom G.","Achieving Site Selectivity in Metal-Catalyzed Electron-Rich Carbene Transfer Reactions from N-Tosylhydrazones.","Organic letters","2017","19","15","3990","3993","10.1021/acs.orglett.7b01694","","","0.71073","MoKα","","0.091","0.0536","","","0.1522","0.1727","","","","","","1.047","","","","has coordinates","275434","2022-05-16","05:31:58",""
"1556066","6.949","0.0014","21.165","0.004","12.887","0.003","90","","105.15","0.03","90","","1829.5","0.7","293","2","293","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C20 H21 N O4 S -","- C20 H21 N O4 S -","- C80 H84 N4 O16 S4 -","4","1","","Liu, Liu; Chen, Kun; Wu, Wen-Zhen; Wang, Peng-Fei; Song, Hang-Yu; Sun, Hongbin; Wen, Xiaoan; Xu, Qing-Long","Organocatalytic Para-Selective Amination of Phenols with Iminoquinone Monoacetals.","Organic letters","2017","19","14","3823","3826","10.1021/acs.orglett.7b01700","","","0.71073","MoKα","","0.1301","0.065","","","0.1452","0.1778","","","","","","1","","","","has coordinates","239386","2020-10-21","18:00:00",""
"1556067","9.4312","0.0008","11.6729","0.0009","14.7247","0.0011","90","","100.851","0.002","90","","1592.1","0.2","298","2","298","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C37 H37 Br O3 -","- C37 H37 Br O3 -","- C74 H74 Br2 O6 -","2","1","","Liu, Shuai; Lan, Xin-Chan; Chen, Ke; Hao, Wen-Juan; Li, Guigen; Tu, Shu-Jiang; Jiang, Bo","Ag/Brønsted Acid Co-Catalyzed Spiroketalization of β-Alkynyl Ketones toward Spiro[chromane-2,1'-isochromene] Derivatives.","Organic letters","2017","19","14","3831","3834","10.1021/acs.orglett.7b01705","","","0.71073","MoKα","","0.0831","0.0434","","","0.0734","0.0792","","","","","","1.075","","","","has coordinates","239387","2020-10-21","18:00:00",""
"1556068","8.7223","0.0002","12.0422","0.0003","24.8833","0.0006","90","","92.4013","0.0011","90","","2611.34","0.11","180","2","180","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C36 H28 B N -","- C36 H28 B N -","- C144 H112 B4 N4 -","4","1","","Mellerup, Soren K.; Häfele, Lisa; Lorbach, Andreas; Wang, Xiang; Wang, Suning","Triplet Energy and π-Conjugation Effects on Photoisomerization of Chiral N,C-Chelate Organoborons with PAH Substituents.","Organic letters","2017","19","14","3851","3854","10.1021/acs.orglett.7b01724","","","0.71073","MoKα","","0.1115","0.0525","","","0.119","0.1567","","","","","","1.08","","","","has coordinates","239388","2020-10-21","18:00:00",""
"1556069","13.779","0.0004","10.4066","0.0002","24.1478","0.0006","90","","103.533","0.0009","90","","3366.47","0.14","180","2","180","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C46 H36 B N -","- C46 H36 B N -","- C184 H144 B4 N4 -","4","1","","Mellerup, Soren K.; Häfele, Lisa; Lorbach, Andreas; Wang, Xiang; Wang, Suning","Triplet Energy and π-Conjugation Effects on Photoisomerization of Chiral N,C-Chelate Organoborons with PAH Substituents.","Organic letters","2017","19","14","3851","3854","10.1021/acs.orglett.7b01724","","","0.71073","MoKα","","0.0938","0.0694","","","0.1787","0.1959","","","","","","1.085","","","","has coordinates","239388","2020-10-21","18:00:00",""
"1556070","11.74","0.0008","19.9773","0.0015","15.4637","0.0011","90","","110.826","0.003","90","","3389.8","0.4","180","2","180","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C46 H36 B N -","- C46 H36 B N -","- C184 H144 B4 N4 -","4","1","","Mellerup, Soren K.; Häfele, Lisa; Lorbach, Andreas; Wang, Xiang; Wang, Suning","Triplet Energy and π-Conjugation Effects on Photoisomerization of Chiral N,C-Chelate Organoborons with PAH Substituents.","Organic letters","2017","19","14","3851","3854","10.1021/acs.orglett.7b01724","","","0.71073","MoKα","","0.091","0.0565","","","0.1236","0.1395","","","","","","1.128","","","","has coordinates","239388","2020-10-21","18:00:00",""
"1556071","10.4947","0.0012","12.3025","0.0011","17.1963","0.0017","90","","95.954","0.004","90","","2208.3","0.4","180","2","180","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C30 H26 B N -","- C30 H26 B N -","- C120 H104 B4 N4 -","4","1","","Mellerup, Soren K.; Häfele, Lisa; Lorbach, Andreas; Wang, Xiang; Wang, Suning","Triplet Energy and π-Conjugation Effects on Photoisomerization of Chiral N,C-Chelate Organoborons with PAH Substituents.","Organic letters","2017","19","14","3851","3854","10.1021/acs.orglett.7b01724","","","0.71073","MoKα","","0.1769","0.0755","","","0.1245","0.1578","","","","","","1.015","","","","has coordinates","239388","2020-10-21","18:00:00",""
"1556072","9.1115","0.0005","14.7945","0.0009","16.9449","0.0011","90","","100.664","0.0017","90","","2244.7","0.2","293","2","293","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C30 H26 B N -","- C30 H26 B N -","- C120 H104 B4 N4 -","4","1","","Mellerup, Soren K.; Häfele, Lisa; Lorbach, Andreas; Wang, Xiang; Wang, Suning","Triplet Energy and π-Conjugation Effects on Photoisomerization of Chiral N,C-Chelate Organoborons with PAH Substituents.","Organic letters","2017","19","14","3851","3854","10.1021/acs.orglett.7b01724","","","0.71073","MoKα","","0.1071","0.0526","","","0.1136","0.149","","","","","","1.052","","","","has coordinates","239388","2020-10-21","18:00:00",""
"1556073","11.6927","0.0001","16.4378","0.0001","15.7568","0.0001","90","","108.557","0.001","90","","2871.03","0.04","150","0.1","150","2","","","","","","","","3","P 1 21 1","P 2yb","4","","","","- C28 H36 O8 -","- C28 H36 O8 -","- C112 H144 O32 -","4","2","","Yin, Guo-Ping; Wu, Ya-Rong; Yang, Ming-Hua; Li, Tian-Xiao; Wang, Xiao-Bing; Zhou, Miao-Miao; Lei, Jian-Li; Kong, Ling-Yi","Citrifurans A-D, Four Dimeric Aromatic Polyketides with New Carbon Skeletons from the Fungus Aspergillus sp.","Organic letters","2017","19","15","4058","4061","10.1021/acs.orglett.7b01823","","","1.54184","CuKα","","0.0644","0.0623","","","0.1943","0.1982","","","","","","1.085","","","","has coordinates,has disorder","239389","2020-10-21","18:00:00",""
"1556074","12.3073","0.0015","18.643","0.002","20.256","0.002","90","","90","","90","","4647.6","0.9","293","2","293","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C16 H18.18 N2.18 O2.55 S0.73 -","- C16 H18.1818 N2.18182 O2.54545 S0.727273 -","- C176 H200 N24 O28 S8 -","11","2.75","","Hajra, Saumen; Singha Roy, Somnath; Aziz, Sk Mohammad; Das, Dhiraj","Catalyst-Free ""On-Water"" Regio- and Stereospecific Ring-Opening of Spiroaziridine Oxindole: Enantiopure Synthesis of Unsymmetrical 3,3'-Bisindoles.","Organic letters","2017","19","15","4082","4085","10.1021/acs.orglett.7b01833","","","0.71073","MoKα","","0.1335","0.0704","","","0.1726","0.201","","","","","","0.978","","","","has coordinates","239390","2020-10-21","18:00:00",""
"1556075","8.8357","0.0006","10.6795","0.0006","10.7206","0.0007","63.805","0.001","75.002","0.002","71.138","0.002","850.9","0.09","293","2","293","2","","","","","","","","4","P -1","-P 1","2","","","","- C20 H21 N O2 -","- C20 H21 N O2 -","- C40 H42 N2 O4 -","2","1","","Mandal, Anup; Sahoo, Harekrishna; Dana, Suman; Baidya, Mahiuddin","Ruthenium(II)-Catalyzed Hydroarylation of Maleimides Using Carboxylic Acids as a Traceless Directing Group.","Organic letters","2017","19","15","4138","4141","10.1021/acs.orglett.7b01964","","","1.54178","CuKα","","0.0527","0.0457","","","0.1237","0.1307","","","","","","1.031","","","","has coordinates","239391","2020-10-21","18:00:00",""
"1556076","10.585","0.00019","9.1046","0.00016","16.2981","0.0003","90","","93.8838","0.0016","90","","1567.08","0.05","100","","100","","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C17 H16 N2 O3 S -","- C17 H16 N2 O3 S -","- C68 H64 N8 O12 S4 -","4","1","","Han, Xiang-Lei; Zhou, Chu-Jun; Liu, Xu-Ge; Zhang, Shang-Shi; Wang, Honggen; Li, Qingjiang","Regioselective Synthesis of 5-Aminooxazoles via Cp*Co(III)-Catalyzed Formal [3 + 2] Cycloaddition of N-(Pivaloyloxy)amides with Ynamides.","Organic letters","2017","19","22","6108","6111","10.1021/acs.orglett.7b02959","","x-ray","1.54184","CuKα","","0.0353","0.0328","","","0.0839","0.0864","","","","","","1.0508","","","","has coordinates","239392","2020-10-21","18:00:00",""
"1556077","10.3618","0.00012","9.18131","0.00013","15.6457","0.0002","90","","90.094","0.0012","90","","1488.45","0.03","100","","100","","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C15 H14 N2 O4 S -","- C15 H14 N2 O4 S -","- C60 H56 N8 O16 S4 -","4","1","","Han, Xiang-Lei; Zhou, Chu-Jun; Liu, Xu-Ge; Zhang, Shang-Shi; Wang, Honggen; Li, Qingjiang","Regioselective Synthesis of 5-Aminooxazoles via Cp*Co(III)-Catalyzed Formal [3 + 2] Cycloaddition of N-(Pivaloyloxy)amides with Ynamides.","Organic letters","2017","19","22","6108","6111","10.1021/acs.orglett.7b02959","","x-ray","1.54184","CuKα","","0.0341","0.033","","","0.0888","0.0896","","","","","","1.0451","","","","has coordinates","239393","2020-10-21","18:00:00",""
"1556078","10.145","0.006","26.485","0.015","4.785","0.003","90","","90","","90","","1285.7","1.3","293","2","293","2","","","","","","","see text","6","P n a 21","P 2c -2n","33","","","","- C14 H11 Br F N O -","- C14 H11 Br F N O -","- C56 H44 Br4 F4 N4 O4 -","4","1","","Gupta, Ekta; Kant, Ruchir; Mohanan, Kishor","Decarbethoxylative Arylation Employing Arynes: A Metal-Free Pathway to Arylfluoroamides.","Organic letters","2017","19","21","6016","6019","10.1021/acs.orglett.7b03072","","","0.71075","MoKα","","0.147","0.0867","","","0.1874","0.2243","","","","","","0.974","","","","has coordinates","239394","2020-10-21","18:00:00",""
"1556486","14.2195","0.0004","11.8504","0.0004","39.8155","0.0013","90","","97.526","0.001","90","","6651.4","0.4","150","2","150","2","","","","","","","synthesis as described","6","P 1 21/n 1","-P 2yn","14","","","","- C104 H112 F48 K8 N8 O8 -","- C104 H112 F48 K8 N8 O8 -","- C208 H224 F96 K16 N16 O16 -","2","0.5","","Rosca, S.-C.; Roueindeji, H.; Dorcet, V.; Roisnel, T.; Carpentier, J.-F.; Sarazin, Y.","K+...Cpi and K+...F Non-Covalent Interactions in pi-Functionalized Potassium Fluoroalkoxides","Inorganics","2017","5","","13","","10.3390/inorganics5010013","","x-ray","0.71073","MoKα","","0.0797","0.0453","","","0.1054","0.1185","","","","","","0.989","","","","has coordinates","244978","2020-10-21","18:00:00",""
"1556487","13.9764","0.0004","14.1787","0.0004","16.1077","0.0004","84.831","0.001","81.56","0.001","80.187","0.001","3104.31","0.15","","","","","","","","","","","synthesis as described","6","P -1","-P 1","2","","","","- C48 H64 F24 K4 N4 O4 -","- C48 H64 F24 K4 N4 O4 -","- C96 H128 F48 K8 N8 O8 -","2","1","","Rosca, S.-C.; Roueindeji, H.; Dorcet, V.; Roisnel, T.; Carpentier, J.-F.; Sarazin, Y.","K+...Cpi and K+...F Non-Covalent Interactions in pi-Functionalized Potassium Fluoroalkoxides","Inorganics","2017","5","","13","","10.3390/inorganics5010013","","","","","","0.063","","","","","","","","","","","","","","","has coordinates","244979","2020-10-21","18:00:00",""
"1556488","13.5114","0.0014","13.5114","","17.556","0.003","90","","90","","90","","3205","0.6","150","2","150","2","","","","","","","synthesis as described","6","P -4 21 c","P -4 2n","114","","","","- C12 H16 F6 K N O -","- C12 H16 F6 K N O -","- C96 H128 F48 K8 N8 O8 -","8","1","","Rosca, S.-C.; Roueindeji, H.; Dorcet, V.; Roisnel, T.; Carpentier, J.-F.; Sarazin, Y.","K+...Cpi and K+...F Non-Covalent Interactions in pi-Functionalized Potassium Fluoroalkoxides","Inorganics","2017","5","","13","","10.3390/inorganics5010013","","x-ray","0.71073","MoKα","","0.1014","0.0466","","","0.0794","0.0942","","","","","","0.963","","","","has coordinates","244980","2020-10-21","18:00:00",""
"1556489","18.9136","0.0008","10.774","0.0005","24.7556","0.0009","90","","108.265","0.002","90","","4790.4","0.4","150","2","150","2","","","","","","","synthesis as described","6","P 1 21/n 1","-P 2yn","14","","","","- C32 H48 F24 K4 N4 O4 -","- C32 H48 F24 K4 N4 O4 -","- C128 H192 F96 K16 N16 O16 -","4","1","","Rosca, S.-C.; Roueindeji, H.; Dorcet, V.; Roisnel, T.; Carpentier, J.-F.; Sarazin, Y.","K+...Cpi and K+...F Non-Covalent Interactions in pi-Functionalized Potassium Fluoroalkoxides","Inorganics","2017","5","","13","","10.3390/inorganics5010013","","x-ray","0.71073","MoKα","","0.0681","0.0402","","","0.0968","0.1166","","","","","","1.056","","","","has coordinates,has disorder","244981","2020-10-21","18:00:00",""
"1556490","10.3667","0.0007","18.8628","0.0012","11.387","0.0007","90","","98.15","0.004","90","","2204.2","0.2","100","1","100","1","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C26 H70 Be2 Cl2 O2 Si8 -","- C26 H70 Be2 Cl2 O2 Si8 -","- C52 H140 Be4 Cl4 O4 Si16 -","2","0.5","","Naglav, D.; Tobey, B.; Dzialkowski, K.; Jansen, G.; Wolper, C.; Schulz, S.","Insights into Molecular Beryllium-Silicon Bonds","Inorganics","2017","5","","22","","10.3390/inorganics5020022","","","0.71073","MoKα","","0.1191","0.0564","","","0.1074","0.1242","","","","","","0.997","","","","has coordinates","244982","2020-10-21","18:00:00",""
"1556491","8.1123","0.0004","14.1264","0.0005","24.7662","0.0014","90","","99.36","0.004","90","","2800.4","0.2","100","2","100","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C26 H45 Na O3 Si -","- C26 H45 Na O3 Si -","- C104 H180 Na4 O12 Si4 -","4","1","","Seifert, T.; Roesky, P.W.","Alkali and Alkaline Earth Metal Complexes Ligated by an Ethynyl Substituted Cyclopentadienyl Ligand","Inorganics","2017","5","","28","","10.3390/inorganics5020028","","","0.71073","MoKα","","0.1562","0.0852","","","0.2044","0.2505","","","","","","0.963","","","","has coordinates","244983","2020-10-21","18:00:00",""
"1556492","10.287","0.002","11.429","0.002","20.495","0.004","90","","90","","90","","2409.6","0.8","100","","100","","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C22 H37 K O2 Si -","- C22 H37 K O2 Si -","- C88 H148 K4 O8 Si4 -","4","1","","Seifert, T.; Roesky, P.W.","Alkali and Alkaline Earth Metal Complexes Ligated by an Ethynyl Substituted Cyclopentadienyl Ligand","Inorganics","2017","5","","28","","10.3390/inorganics5020028","","","0.71073","MoKα","","0.0503","0.038","","","0.0872","0.0913","","","","","","0.993","","","","has coordinates,has disorder","244984","2020-10-21","18:00:00",""
"1556493","9.4746","0.0004","14.9924","0.0008","21.7467","0.0008","90","","101.49","0.003","90","","3027.1","0.2","220","","220","","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C44 H74 Ca2 I2 O4 Si2 -","- C44 H74 Ca2 I2 O4 Si2 -","- C88 H148 Ca4 I4 O8 Si4 -","2","0.5","","Seifert, T.; Roesky, P.W.","Alkali and Alkaline Earth Metal Complexes Ligated by an Ethynyl Substituted Cyclopentadienyl Ligand","Inorganics","2017","5","","28","","10.3390/inorganics5020028","","x-ray","0.71073","MoKα","","0.0636","0.0392","","","0.1089","0.1181","","","","","","0.975","","","","has coordinates","244985","2020-10-21","18:00:00",""
"1556494","18.7343","0.0017","11.6636","0.0008","23.279","0.0018","90","","106.937","0.002","90","","4866","0.7","173","","173","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C53 H64 Mg N2 P2 -","- C53 H64 Mg N2 P2 -","- C212 H256 Mg4 N8 P8 -","4","1","","Sindlinger, C.P.; Lawrence, S.R.; Cordes, D.B.; Slawin, A.M.Z.; Stasch, A.","Methanediide Formation via Hydrogen Elimination in Magnesium versus Aluminium Hydride Complexes of a Sterically Demanding Bis(iminophosphoranyl)methanediide","Inorganics","2017","5","","29","","10.3390/inorganics5020029","","","0.71075","MoKα","","0.0504","0.0406","","","0.108","0.1149","","","","","","1.022","","","","has coordinates","244986","2020-10-21","18:00:00",""
"1556495","20.547","0.004","22.5","0.005","22","0.004","90","","90.34","0.03","90","","10171","4","100","2","100","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C122 H132 Mg2 N4 P4 -","- C122 H132 Mg2 N4 P4 -","- C488 H528 Mg8 N16 P16 -","4","0.5","","Sindlinger, C.P.; Lawrence, S.R.; Cordes, D.B.; Slawin, A.M.Z.; Stasch, A.","Methanediide Formation via Hydrogen Elimination in Magnesium versus Aluminium Hydride Complexes of a Sterically Demanding Bis(iminophosphoranyl)methanediide","Inorganics","2017","5","","29","","10.3390/inorganics5020029","","","0.7107","synchrotron","","0.0894","0.0554","","","0.1248","0.1406","","","","","","1.02","","","","has coordinates,has disorder","244987","2020-10-21","18:00:00",""
"1556496","13.149","0.003","18.972","0.004","17.427","0.004","90","","99.58","0.03","90","","4286.8","1.7","100","2","100","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C49 H57 Al N2 P2 -","- C49 H57 Al N2 P2 -","- C196 H228 Al4 N8 P8 -","4","1","","Sindlinger, C.P.; Lawrence, S.R.; Cordes, D.B.; Slawin, A.M.Z.; Stasch, A.","Methanediide Formation via Hydrogen Elimination in Magnesium versus Aluminium Hydride Complexes of a Sterically Demanding Bis(iminophosphoranyl)methanediide","Inorganics","2017","5","","29","","10.3390/inorganics5020029","","","0.71073","synchrotron","","0.0408","0.0384","","","0.0994","0.1021","","","","","","1.048","","","","has coordinates","244988","2020-10-21","18:00:00",""
"1556497","19.08","0.004","34.382","0.007","16.79","0.003","90","","90.56","0.03","90","","11014","4","100","2","100","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C134 H144 Mg2 N4 P4 -","- C110 H120 Mg2 N4 P4 -","- C440 H480 Mg8 N16 P16 -","4","0.5","","Sindlinger, C.P.; Lawrence, S.R.; Cordes, D.B.; Slawin, A.M.Z.; Stasch, A.","Methanediide Formation via Hydrogen Elimination in Magnesium versus Aluminium Hydride Complexes of a Sterically Demanding Bis(iminophosphoranyl)methanediide","Inorganics","2017","5","","29","","10.3390/inorganics5020029","","","0.7108","synchrotron","","0.0495","0.0445","","","0.1141","0.1184","","","","","","1.051","","","","has coordinates","244989","2020-10-21","18:00:00",""
"1556498","13.51","0.003","14.4","0.003","29.43","0.006","100.84","0.03","100.81","0.03","100.62","0.03","5379","2","100","2","100","2","","","","","","","","6","P -1","-P 1","2","","","","- C114 H140 Mg2 N4 O4 P4 -","- C98 H108 Mg2 N4 P4 -","- C196 H216 Mg4 N8 P8 -","2","1","","Sindlinger, C.P.; Lawrence, S.R.; Cordes, D.B.; Slawin, A.M.Z.; Stasch, A.","Methanediide Formation via Hydrogen Elimination in Magnesium versus Aluminium Hydride Complexes of a Sterically Demanding Bis(iminophosphoranyl)methanediide","Inorganics","2017","5","","29","","10.3390/inorganics5020029","","","0.7108","synchrotron","","0.1198","0.0779","","","0.2065","0.228","","","","","","1.001","","","","has coordinates","244990","2020-10-21","18:00:00",""
"1556499","12.3641","0.0012","16.3858","0.0016","15.4945","0.0015","90","","90","","90","","3139.1","0.5","173","2","173","2","","","","","","","","4","P c c n","-P 2ab 2ac","56","Dipp KetoImine","2-(2,6-diisopropylphenyl)pent-2-en-4-one","","- C17 H25 N O -","- C17 H25 N O -","- C136 H200 N8 O8 -","8","1","","Gietz, T.; Boere, R.T.","Backbone-Substituted beta-Ketoimines and Ketoiminate Clusters: Transoid Li2O2 Squares and D2-Symmetric Li4O4 Cubanes. Synthesis, Crystallography and DFT Calculations","Inorganics","2017","5","","30","","10.3390/inorganics5020030","","x-ray","0.71073","MoKα","","0.0668","0.0428","","","0.1039","0.1201","","","","","","1.032","","","","has coordinates","244994","2020-10-21","18:00:00",""
"1556500","10.0068","0.0006","9.8961","0.0006","12.7933","0.0008","90","","99.138","0.001","90","","1250.82","0.13","173","2","173","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","2-(2,4,6-trimethylphenyl)pent-2-en-4-one","","- C14 H19 N O -","- C14 H19 N O -","- C56 H76 N4 O4 -","4","1","","Gietz, T.; Boere, R.T.","Backbone-Substituted beta-Ketoimines and Ketoiminate Clusters: Transoid Li2O2 Squares and D2-Symmetric Li4O4 Cubanes. Synthesis, Crystallography and DFT Calculations","Inorganics","2017","5","","30","","10.3390/inorganics5020030","","x-ray","0.71073","MoKα","","0.0554","0.0462","","","0.1263","0.1349","","","","","","1.047","","","","has coordinates","244994","2020-10-21","18:00:00",""
"1556501","6.7423","0.0004","13.9706","0.0008","18.0631","0.001","90","","90","","90","","1701.44","0.17","173","2","173","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","Dipp-Me-KetoImine","2-(2,6-diisopropylphenyl)-3-methylpent-2-en-4-one","","- C18 H27 N O -","- C18 H27 N O -","- C72 H108 N4 O4 -","4","1","","Gietz, T.; Boere, R.T.","Backbone-Substituted beta-Ketoimines and Ketoiminate Clusters: Transoid Li2O2 Squares and D2-Symmetric Li4O4 Cubanes. Synthesis, Crystallography and DFT Calculations","Inorganics","2017","5","","30","","10.3390/inorganics5020030","","x-ray","0.71073","MoKα","","0.0454","0.0407","","","0.1129","0.1172","","","","","","1.031","","","","has coordinates","244994","2020-10-21","18:00:00",""
"1556502","18.8762","0.0017","8.0097","0.0007","19.0037","0.0017","90","","107.543","0.001","90","","2739.6","0.4","173","2","173","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","Mes KetoImine","2-(2,4,6-trimethylphenylamino)-3-methylpent-2-en-4-one","","- C15 H21 N O -","- C15 H21 N O -","- C120 H168 N8 O8 -","8","1","","Gietz, T.; Boere, R.T.","Backbone-Substituted beta-Ketoimines and Ketoiminate Clusters: Transoid Li2O2 Squares and D2-Symmetric Li4O4 Cubanes. Synthesis, Crystallography and DFT Calculations","Inorganics","2017","5","","30","","10.3390/inorganics5020030","","x-ray","0.71073","MoKα","","0.0591","0.0465","","","0.1294","0.1402","","","","","","1.053","","","","has coordinates","244994","2020-10-21","18:00:00",""
"1556503","9.406","0.0008","10.7931","0.0009","11.9959","0.001","69.04","0.001","73.616","0.001","67.016","0.001","1032.5","0.15","173","2","173","2","","","","","","","","5","P -1","-P 1","2","","lithio 2-(2,6-triisopropylphenylamino)pent-2-en-4-one dimer thf adduct","","- C42 H64 Li2 N2 O4 -","- C42 H64 Li2 N2 O4 -","- C42 H64 Li2 N2 O4 -","1","0.5","","Gietz, T.; Boere, R.T.","Backbone-Substituted beta-Ketoimines and Ketoiminate Clusters: Transoid Li2O2 Squares and D2-Symmetric Li4O4 Cubanes. Synthesis, Crystallography and DFT Calculations","Inorganics","2017","5","","30","","10.3390/inorganics5020030","","x-ray","0.71073","MoKα","","0.0695","0.0464","","","0.1144","0.1274","","","","","","1.035","","","","has coordinates","244994","2020-10-21","18:00:00",""
"1556504","8.0148","0.0005","15.0628","0.0009","14.5918","0.0009","90","","103.855","0.001","90","","1710.35","0.18","173","2","173","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","lithio 2-(2,4,6-trimethylphenylamino)pent-2-en-4-one dimer thf adduct","","- C36 H52 Li2 N2 O4 -","- C36 H52 Li2 N2 O4 -","- C72 H104 Li4 N4 O8 -","2","0.5","","Gietz, T.; Boere, R.T.","Backbone-Substituted beta-Ketoimines and Ketoiminate Clusters: Transoid Li2O2 Squares and D2-Symmetric Li4O4 Cubanes. Synthesis, Crystallography and DFT Calculations","Inorganics","2017","5","","30","","10.3390/inorganics5020030","","x-ray","0.71073","MoKα","","0.0793","0.0495","","","0.1236","0.1409","","","","","","1.025","","","","has coordinates","244994","2020-10-21","18:00:00",""
"1556505","20.843","0.005","10.495","0.002","21.365","0.005","90","","112.886","0.002","90","","4305.6","1.7","173","2","173","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","lithio 2-(2,6-diisopropylphenylamino)-3-methylpent-2-en-4-one dimer thf adduct","","- C44 H68 Li2 N2 O4 -","- C44 H68 Li2 N2 O4 -","- C176 H272 Li8 N8 O16 -","4","1","","Gietz, T.; Boere, R.T.","Backbone-Substituted beta-Ketoimines and Ketoiminate Clusters: Transoid Li2O2 Squares and D2-Symmetric Li4O4 Cubanes. Synthesis, Crystallography and DFT Calculations","Inorganics","2017","5","","30","","10.3390/inorganics5020030","","x-ray","0.71073","MoKα","","0.0589","0.0453","","","0.1184","0.1285","","","","","","1.03","","","","has coordinates","244994","2020-10-21","18:00:00",""
"1556506","13.753","0.0009","18.3062","0.0013","24.0904","0.0017","90","","90","","90","","6065.1","0.7","173","2","173","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","tetrakis(lithio 2-(2,4,6-trimethylphenylamino)pent-2-en-4-one)","","- C63 H80 Li4 N4 O4 -","- C63 H80 Li4 N4 O4 -","- C252 H320 Li16 N16 O16 -","4","1","","Gietz, T.; Boere, R.T.","Backbone-Substituted beta-Ketoimines and Ketoiminate Clusters: Transoid Li2O2 Squares and D2-Symmetric Li4O4 Cubanes. Synthesis, Crystallography and DFT Calculations","Inorganics","2017","5","","30","","10.3390/inorganics5020030","","x-ray","0.71073","MoKα","","0.0507","0.0386","","","0.099","0.1077","","","","","","1.039","","","","has coordinates,has disorder","244994","2020-10-21","18:00:00",""
"1556507","14.3398","0.0014","27.504","0.003","19.8735","0.0019","90","","107.487","0.001","90","","7475.9","1.3","173","2","173","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","tetrakis lithio 2-(2,6-diisopropylphenylamino)-3-methylpent -2-en-4-one","","- C72 H104 Li4 N4 O4 -","- C72 H104 Li4 N4 O4 -","- C288 H416 Li16 N16 O16 -","4","1","","Gietz, T.; Boere, R.T.","Backbone-Substituted beta-Ketoimines and Ketoiminate Clusters: Transoid Li2O2 Squares and D2-Symmetric Li4O4 Cubanes. Synthesis, Crystallography and DFT Calculations","Inorganics","2017","5","","30","","10.3390/inorganics5020030","","x-ray","0.71073","MoKα","","0.1168","0.0654","","","0.1563","0.1786","","","","","","0.985","","","","has coordinates","244994","2020-10-21","18:00:00",""
"1556508","13.0543","0.0011","26.647","0.002","16.4965","0.0014","90","","91.218","0.001","90","","5737.1","0.8","173","2","173","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","tetrakis lithio 2-(2,4,6-trimethylphenylamino)-3-methylpent -2-en-4-one","","- C60 H80 Li4 N4 O4 -","- C60 H80 Li4 N4 O4 -","- C240 H320 Li16 N16 O16 -","4","1","","Gietz, T.; Boere, R.T.","Backbone-Substituted beta-Ketoimines and Ketoiminate Clusters: Transoid Li2O2 Squares and D2-Symmetric Li4O4 Cubanes. Synthesis, Crystallography and DFT Calculations","Inorganics","2017","5","","30","","10.3390/inorganics5020030","","x-ray","0.71073","MoKα","","0.094","0.0532","","","0.1268","0.1478","","","","","","1.011","","","","has coordinates","244994","2020-10-21","18:00:00",""
"1556509","8.9827","0.0002","23.6098","0.0006","22.1855","0.0005","90","","90.818","0.001","90","","4704.62","0.19","193","2","193","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C49 H62 I Mg N3 O -","- C49 H62 I Mg N3 O -","- C196 H248 I4 Mg4 N12 O4 -","4","1","","Vindus, D.; Niemeyer, M.","Hetero- and Homoleptic Magnesium Triazenides","Inorganics","2017","5","","33","","10.3390/inorganics5020033","","","0.71073","MoKα","","0.0723","0.0363","","","0.0835","0.0938","","","","","","0.929","","","","has coordinates,has disorder","244995","2020-10-21","18:00:00",""
"1556510","19.848","0.004","9.373","0.002","23.033","0.004","90","","90.386","0.014","90","","4284.9","1.5","173","2","173","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C48 H52 I Mg N3 O -","- C48 H52 I Mg N3 O -","- C192 H208 I4 Mg4 N12 O4 -","4","1","","Vindus, D.; Niemeyer, M.","Hetero- and Homoleptic Magnesium Triazenides","Inorganics","2017","5","","33","","10.3390/inorganics5020033","","","0.71073","MoKα","","0.0545","0.0359","","","0.0858","0.0897","","","","","","0.886","","","","has coordinates","244995","2020-10-21","18:00:00",""
"1556511","20.4142","0.0004","22.2202","0.0004","39.3523","0.0007","90","","90","","90","","17850.5","0.6","173","2","173","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C90 H104 I4 Mg3 N6 -","- C90 H104 I4 Mg3 N6 -","- C720 H832 I32 Mg24 N48 -","8","1","","Vindus, D.; Niemeyer, M.","Hetero- and Homoleptic Magnesium Triazenides","Inorganics","2017","5","","33","","10.3390/inorganics5020033","","","0.71073","MoKα","","0.2154","0.0411","","","0.047","0.0665","","","","","","0.653","","","","has coordinates","244995","2020-10-21","18:00:00",""
"1556512","16.9933","0.0005","17.5771","0.0005","17.8005","0.0005","93.427","0.002","99.534","0.002","109.991","0.002","4888.5","0.3","173","2","173","2","","","","","","","","5","P -1","-P 1","2","","'Tetra-μ-iodo-bis((1,3-bis(3,5,3'',5''-tetramethyl-1,1':3';1''- terphenyl-2'))(triazenido-N,N''))trimagnesium'","","- C88 H84 I4 Mg3 N6 -","- C88 H84 I4 Mg3 N6 -","- C176 H168 I8 Mg6 N12 -","2","1","","Vindus, D.; Niemeyer, M.","Hetero- and Homoleptic Magnesium Triazenides","Inorganics","2017","5","","33","","10.3390/inorganics5020033","","","0.71073","MoKα","","0.0876","0.0674","","","0.1305","0.1344","","","","","","1.921","","","","has coordinates","244995","2020-10-21","18:00:00",""
"1556513","15.0589","0.0012","13.0937","0.001","20.3232","0.0016","90","","99.013","0.003","90","","3957.8","0.5","173","2","173","2","","","","","","","","4","P 1 2/n 1","-P 2yac","13","","'Bis((1,3-bis(3,5,3'',5''-tetramethyl-1,1':3';1''- terphenyl-2'))(triazenido-N,N''))magnesium n-heptane solvate'","","- C47.5 H50 Mg0.5 N3 -","- C47.5 H50 Mg0.5 N3 -","- C190 H200 Mg2 N12 -","4","1","","Vindus, D.; Niemeyer, M.","Hetero- and Homoleptic Magnesium Triazenides","Inorganics","2017","5","","33","","10.3390/inorganics5020033","","","0.71073","MoKα","","0.179","0.0665","","","0.1457","0.1882","","","","","","0.885","","","","has coordinates,has disorder","244995","2020-10-21","18:00:00",""
"1556514","13.302","0.002","21.531","0.003","24.332","0.004","90","","101.877","0.012","90","","6819.6","1.8","173","2","173","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C81.5 H84 Mg N6 -","- C81.5 H84 Mg N6 -","- C326 H336 Mg4 N24 -","4","1","","Vindus, D.; Niemeyer, M.","Hetero- and Homoleptic Magnesium Triazenides","Inorganics","2017","5","","33","","10.3390/inorganics5020033","","","0.71073","MoKα","","0.1066","0.0435","","","0.0887","0.0981","","","","","","0.727","","","","has coordinates","244995","2020-10-21","18:00:00",""
"1556515","9.493","0.0009","9.9165","0.0009","16.7191","0.0014","90","","92.527","0.002","90","","1572.4","0.2","296","2","296","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C11 H27 Li O Si2 -","- C11 H27 Li O Si2 -","- C44 H108 Li4 O4 Si8 -","4","1","","Von Pilgrim, M.; Mondeshki, M.; Klett, J.","[Bis(Trimethylsilyl)Methyl]Lithium and -Sodium: Solubility in Alkanes and Complexes with O- and N- Donor Ligands","Inorganics","2017","5","","39","","10.3390/inorganics5020039","","","0.71073","MoKα","","0.0428","0.032","","","0.0898","0.0964","","","","","","1.042","","","","has coordinates,has disorder","244996","2020-10-21","18:00:00",""
"1556516","18.7636","0.0008","13.2303","0.0005","17.7299","0.0007","90","","112.04","0.002","90","","4079.8","0.3","296","2","296","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C13 H35 Li N2 Si2 -","- C13 H35 Li N2 Si2 -","- C104 H280 Li8 N16 Si16 -","8","2","","Von Pilgrim, M.; Mondeshki, M.; Klett, J.","[Bis(Trimethylsilyl)Methyl]Lithium and -Sodium: Solubility in Alkanes and Complexes with O- and N- Donor Ligands","Inorganics","2017","5","","39","","10.3390/inorganics5020039","","","0.71073","MoKα","","0.1013","0.0449","","","0.0964","0.1112","","","","","","0.886","","","","has coordinates,has disorder","244997","2020-10-21","18:00:00",""
"1556517","11.347","0.0019","9.7379","0.0017","14.622","0.002","90","","90.876","0.005","90","","1615.5","0.4","296","2","296","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C11 H27 Na O Si2 -","- C11 H27 Na O Si2 -","- C44 H108 Na4 O4 Si8 -","4","1","","Von Pilgrim, M.; Mondeshki, M.; Klett, J.","[Bis(Trimethylsilyl)Methyl]Lithium and -Sodium: Solubility in Alkanes and Complexes with O- and N- Donor Ligands","Inorganics","2017","5","","39","","10.3390/inorganics5020039","","","0.71073","MoKα","","0.1539","0.069","","","0.1572","0.1894","","","","","","0.891","","","","has coordinates","244998","2020-10-21","18:00:00",""
"1556518","10.45","0.004","17.414","0.006","14.258","0.005","90","","100.824","0.009","90","","2548.5","1.6","296","2","296","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C32 H86 N6 Na2 Si4 -","- C32 H86 N6 Na2 Si4 -","- C64 H172 N12 Na4 Si8 -","2","0.5","","Von Pilgrim, M.; Mondeshki, M.; Klett, J.","[Bis(Trimethylsilyl)Methyl]Lithium and -Sodium: Solubility in Alkanes and Complexes with O- and N- Donor Ligands","Inorganics","2017","5","","39","","10.3390/inorganics5020039","","","0.71073","MoKα","","0.0932","0.0441","","","0.103","0.1193","","","","","","0.916","","","","has coordinates,has disorder","282761","2023-04-20","06:46:04",""
"1556519","11.5777","0.0007","13.6154","0.0004","13.9687","0.0011","66.134","0.008","84.758","0.012","65.272","0.009","1821","0.3","100","","100","","","","","","","","","7","P -1","-P 1","2","","","","- C40 H22 Fe N8 Ni O2 S4 -","- C40 H22 Fe N8 Ni O2 S4 -","- C80 H44 Fe2 N16 Ni2 O4 S8 -","2","1","","Takahashi, K.; Sakurai, T.; Zhang, W.-M.; Okubo, S.; Ohta, H.; Yamamoto, T.; Einaga, Y.; Mori, H.","Spin-Singlet Transition in the Magnetic Hybrid Compound from a Spin-Crossover Fe(III) Cation and pi-Radical Anion","Inorganics","2017","5","","54","","10.3390/inorganics5030054","","","0.7107","MoKα","","0.0567","0.0481","","","0.1185","0.1309","","","","","","1.115","","","","has coordinates","245007","2020-10-21","18:00:00",""
"1556520","11.4218","0.0011","13.7207","0.0006","13.8041","0.0017","67.123","0.012","84.938","0.018","65.324","0.014","1804","0.4","25","","25","","","","","","","","","7","P -1","-P 1","2","","","","- C40 H22 Fe N8 Ni O2 S4 -","- C40 H22 Fe N8 Ni O2 S4 -","- C80 H44 Fe2 N16 Ni2 O4 S8 -","2","1","","Takahashi, K.; Sakurai, T.; Zhang, W.-M.; Okubo, S.; Ohta, H.; Yamamoto, T.; Einaga, Y.; Mori, H.","Spin-Singlet Transition in the Magnetic Hybrid Compound from a Spin-Crossover Fe(III) Cation and pi-Radical Anion","Inorganics","2017","5","","54","","10.3390/inorganics5030054","","","0.7107","MoKα","","0.0646","0.0553","","","0.1154","0.1231","","","","","","1.076","","","","has coordinates","245008","2020-10-21","18:00:00",""
"1556521","11.7638","0.0006","13.5893","0.0005","14.1","0.001","65.962","0.011","85.184","0.014","65.815","0.009","1868.6","0.3","293","","293","","","","","","","","","7","P -1","-P 1","2","","","","- C40 H22 Fe N8 Ni O2 S4 -","- C40 H22 Fe N8 Ni O2 S4 -","- C80 H44 Fe2 N16 Ni2 O4 S8 -","2","1","","Takahashi, K.; Sakurai, T.; Zhang, W.-M.; Okubo, S.; Ohta, H.; Yamamoto, T.; Einaga, Y.; Mori, H.","Spin-Singlet Transition in the Magnetic Hybrid Compound from a Spin-Crossover Fe(III) Cation and pi-Radical Anion","Inorganics","2017","5","","54","","10.3390/inorganics5030054","","","0.7107","MoKα","","0.06","0.0468","","","0.1228","0.1427","","","","","","1.062","","","","has coordinates","245009","2020-10-21","18:00:00",""
"1556522","9.3874","0.0002","9.8339","0.0002","12.0913","0.0002","69.669","0.001","70.888","0.001","76.465","0.001","979.82","0.03","200","1","200","1","","","","","","","","6","P -1","-P 1","2","","","","- C20 H19 Au Cl N3 O2 -","- C20 H19 Au Cl N3 O2 -","- C40 H38 Au2 Cl2 N6 O4 -","2","1","","Lanoe, P.-H.; Najjari, B.; Hallez, F.; Gontard, G.; Amouri, H.","N-Heterocyclic Carbene Coinage Metal Complexes Containing Naphthalimide Chromophore: Design, Structure, and Photophysical Properties","Inorganics","2017","5","","58","","10.3390/inorganics5030058","","","0.71073","MoKα","","0.024","0.0209","","","0.0508","0.052","","","","","","1.089","","","","has coordinates","245010","2020-10-21","18:00:00",""
"1556523","11.388","0.0004","11.8845","0.0004","15.3829","0.0005","75.0794","0.0012","75.9749","0.0013","84.3937","0.0013","1950.38","0.12","150","2","150","2","","","","","","","","7","P -1","-P 1","2","","","","- C76 H78 F12 Mn4 N8 O12 P2 -","- C76 H78 F12 Mn4 N8 O12 P2 -","- C76 H78 F12 Mn4 N8 O12 P2 -","1","0.5","","Sukhikh, T.S.; Vostrikova, K.E.","Assembly of Mn(III) Schiff Base Complexes with Heptacyanorhenate (IV)","Inorganics","2017","5","","59","","10.3390/inorganics5030059","","","0.71073","MoKα","","0.0414","0.0319","","","0.078","0.0828","","","","","","1.022","","","","has coordinates,has disorder","245011","2020-10-21","18:00:00",""
"1556524","14.2002","0.0009","15.7993","0.0009","18.047","0.0011","84.638","0.003","82.694","0.004","65.057","0.003","3637.9","0.4","200","2","200","2","","","","","","","","7","P -1","-P 1","2","","","","- C67 H64 Mn2 N11 O18 P Re -","- C67 H64 Mn2 N11 O18 P Re -","- C134 H128 Mn4 N22 O36 P2 Re2 -","2","1","","Sukhikh, T.S.; Vostrikova, K.E.","Assembly of Mn(III) Schiff Base Complexes with Heptacyanorhenate (IV)","Inorganics","2017","5","","59","","10.3390/inorganics5030059","","","0.71073","MoKα","","0.0495","0.0394","","","0.0944","0.0978","","","","","","1.12","","","","has coordinates","245012","2020-10-21","18:00:00",""
"1556525","13.813","0.0003","15.0609","0.0003","30.1361","0.0007","94.447","0.001","93.223","0.001","94.144","0.001","6222.1","0.2","150","2","150","2","","","","","","","","9","P -1","-P 1","2","","","","- C237 H224 Cl2 F6 Mn12 N45 O30 P Re3 -","- C237 H224 Cl2 F6 Mn12 N45 O30 P Re3 -","- C237 H224 Cl2 F6 Mn12 N45 O30 P Re3 -","1","0.5","","Sukhikh, T.S.; Vostrikova, K.E.","Assembly of Mn(III) Schiff Base Complexes with Heptacyanorhenate (IV)","Inorganics","2017","5","","59","","10.3390/inorganics5030059","","","0.71073","MoKα","","0.1131","0.057","","","0.1131","0.1331","","","","","","0.978","","","","has coordinates,has disorder","245013","2020-10-21","18:00:00",""
"1556526","23.738","0.0007","20.5122","0.0006","29.8804","0.0009","90","","93.37","0.002","90","","14524.2","0.7","298","","298","","","","","","","","","8","P 1 21/n 1","-P 2yn","14","","","","- C133 H160 F12 Mn6 N19 O20 P2 Re -","- C133 H152 F12 Mn6 N19 O20 P2 Re -","- C532 H608 F48 Mn24 N76 O80 P8 Re4 -","4","1","","Sukhikh, T.S.; Vostrikova, K.E.","Assembly of Mn(III) Schiff Base Complexes with Heptacyanorhenate (IV)","Inorganics","2017","5","","59","","10.3390/inorganics5030059","","","1.54178","CuKα","","0.1664","0.1082","","","0.1959","0.225","","","","","","1.075","","","","has coordinates","245014","2020-10-21","18:00:00",""
"1556527","15.9891","0.0018","27.544","0.003","21.779","0.002","90","","108.762","0.004","90","","9081.9","1.7","200","2","200","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C96 H100 B2 Mn2 N10 O11 -","- C96 H100 B2 Mn2 N10 O11 -","- C384 H400 B8 Mn8 N40 O44 -","4","1","","Sukhikh, T.S.; Vostrikova, K.E.","Assembly of Mn(III) Schiff Base Complexes with Heptacyanorhenate (IV)","Inorganics","2017","5","","59","","10.3390/inorganics5030059","","","0.71073","MoKα","","0.1189","0.0563","","","0.1282","0.1556","","","","","","1.021","","","","has coordinates,has disorder","245015","2020-10-21","18:00:00",""
"1556528","11.3421","0.0005","15.3291","0.0007","36.7355","0.0018","90","","90","","90","","6387","0.5","150","0.1","150","0.1","","","","","","","","8","P 21 21 21","P 2ac 2ab","19","","{tris[1-methyl-2-(pyridin-2-ylmethylene-κN)hydrazinyl-κN^2^]phosphane sulfide}iron(II) tetrafluoroborate‒acetonitrile(2/3)","","- C24 H28.5 B2 F8 Fe N10.5 P S -","- C24 H28.5 B2 F8 Fe N10.5 P S -","- C192 H228 B16 F64 Fe8 N84 P8 S8 -","8","2","","Stock, P.; Wiedemann, D.; Petzold, H.; Horner, G.","Structural Dynamics of Spin Crossover in Iron(II) Complexes with Extended-Tripod Ligands","Inorganics","2017","5","","60","","10.3390/inorganics5030060","","x-ray","0.71073","MoKα","","0.081","0.0578","","","0.1078","0.118","","","","","","1.018","","","","has coordinates,has disorder","245016","2020-10-21","18:00:00",""
"1556529","9.0934","0.0012","31.653","0.003","16.281","0.002","90","","136.39","0.03","90","","3232.3","1.9","150.05","0.1","150.05","0.1","","","","","","","","8","P 1 21/c 1","-P 2ybc","14","","{tris[1-methyl-2-(pyridin-2-ylmethylene-κN)hydrazinyl-κN^2^]phosphane sulfide}zinc(II) perchlorate‒acetonitrile(2/3)","","- C24 H28.5 Cl2 N10.5 O8 P S Zn -","- C24 H28.5 Cl2 N10.5 O8 P S Zn -","- C96 H114 Cl8 N42 O32 P4 S4 Zn4 -","4","1","","Stock, P.; Wiedemann, D.; Petzold, H.; Horner, G.","Structural Dynamics of Spin Crossover in Iron(II) Complexes with Extended-Tripod Ligands","Inorganics","2017","5","","60","","10.3390/inorganics5030060","","x-ray","0.71073","MoKα","","0.082","0.0699","","","0.1606","0.168","","","","","","1.109","","","","has coordinates,has disorder","245017","2020-10-21","18:00:00",""
"1556530","9.602","0.0007","18.9796","0.0014","23.8123","0.0018","90","","90","","90","","4339.6","0.6","173","0.2","173","0.2","","","","","","","","5","I b a m","-I 2 2c","72","","","","- C50 H32 Fe N6 S2 -","- C50 H32 Fe N6 S2 -","- C200 H128 Fe4 N24 S8 -","4","0.25","","Iwai, S.; Yoshinami, K.; Nakashima, S.","Structure and Spin State of Iron(II) Assembled Complexes Using 9,10-Bis(4-pyridyl)anthracene as Bridging Ligand","Inorganics","2017","5","","61","","10.3390/inorganics5030061","","","0.71073","MoKa","","0.0711","0.0597","","","0.1666","0.1786","","","","","","0.907","","","","has coordinates","245018","2020-10-21","18:00:00",""
"1556531","13.837","0.003","13.855","0.003","20.684","0.004","77.43","0.03","77.58","0.03","86.73","0.03","3779.5","1.5","100","2","100","","","","","","","","","7","P -1","-P 1","2","","","","- C64 H54 B4 F16 Fe2 N20 O3 -","- C64 H54 B4 F16 Fe2 N20 O3 -","- C128 H108 B8 F32 Fe4 N40 O6 -","2","1","","Craze, A.R.; Sciortino, N.F.; Badbhade, M.M.; Kepert, C.J.; Marjo, C.E.; Li, F.","Investigation of the Spin Crossover Properties of Three Dinulear Fe(II) Triple Helicates by Variation of the Steric Nature of the Ligand Type","Inorganics","2017","5","","62","","10.3390/inorganics5040062","","","0.71073","MoKα","","0.0873","0.0691","","","0.1966","0.2111","","","","","","1.071","","","","has coordinates,has disorder","245019","2020-10-21","18:00:00",""
"1556532","21.131","0.004","17.391","0.004","21.069","0.004","90","","107","0.03","90","","7404","3","293","2","293","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C65 H57 B4 F16 Fe2 N19.5 -","- C65 H57 B4 F16 Fe2 N19.5 -","- C260 H228 B16 F64 Fe8 N78 -","4","0.5","","Craze, A.R.; Sciortino, N.F.; Badbhade, M.M.; Kepert, C.J.; Marjo, C.E.; Li, F.","Investigation of the Spin Crossover Properties of Three Dinulear Fe(II) Triple Helicates by Variation of the Steric Nature of the Ligand Type","Inorganics","2017","5","","62","","10.3390/inorganics5040062","","","0.71073","MoKα","","0.1371","0.1035","","","0.293","0.322","","","","","","1.096","","","","has coordinates,has disorder","245020","2020-10-21","18:00:00",""
"1556533","9.521","0.0019","16.723","0.003","23.621","0.005","95.29","0.03","100.29","0.03","92.93","0.03","3675.9","1.3","100","2","100","2","","","","","","","","7","P -1","-P 1","2","","","","- C64 H54 B4 F15.5 Fe2 N20 S3 -","- C64 H54 B4 F15.5 Fe2 N20 S3 -","- C128 H108 B8 F31 Fe4 N40 S6 -","2","1","","Craze, A.R.; Sciortino, N.F.; Badbhade, M.M.; Kepert, C.J.; Marjo, C.E.; Li, F.","Investigation of the Spin Crossover Properties of Three Dinulear Fe(II) Triple Helicates by Variation of the Steric Nature of the Ligand Type","Inorganics","2017","5","","62","","10.3390/inorganics5040062","","","0.71073","MoKα","","0.1389","0.1086","","","0.2905","0.3308","","","","","","1.138","","","","has coordinates,has disorder","245021","2020-10-21","18:00:00",""
"1556545","11.5359","0.0016","6.7079","0.0009","10.1493","0.0013","90","","115.83","0.004","90","","706.9","0.17","100","2","100","2","","","","","","","synthetical product","4","P 1 21/c 1","-P 2ybc","14","1,3-di-cyclopentyl-1,1,3,3-tetrahydroxysiloxane","1,3-di-cyclopentyl-1,1,3,3-tetrahydroxysiloxane","","- C10 H22 O5 Si2 -","- C10 H22 O5 Si2 -","- C20 H44 O10 Si4 -","2","0.5","","Kahr, J.; Belaj, F.; Pietschnig, R.","Preparation and Molecular Structure of a Cyclopentyl-Substituted Cage Hexasilsesquioxane T6 (T = cyclopentyl-SiO1.5) Starting from the Corresponding Silanetriol","Inorganics","2017","5","","66","","10.3390/inorganics5040066","","","0.71073","MoKα","","0.0413","0.0326","","","0.0829","0.0873","","","","","","1.095","","","","has coordinates,has disorder","245046","2020-10-21","18:00:00",""
"1556546","10.1476","0.0005","20.7484","0.001","6.7022","0.0003","90","","90","","90","","1411.12","0.12","100","2","100","2","","","","","","","synthetical product","4","C m c e","-C 2ac 2","64","1,3-di-cyclopentyl-1,1,3,3-tetrahydroxysiloxane","1,3-di-cyclopentyl-1,1,3,3-tetrahydroxysiloxane","","- C10 H22 O5 Si2 -","- C10 H22 O5 Si2 -","- C40 H88 O20 Si8 -","4","0.25","","Kahr, J.; Belaj, F.; Pietschnig, R.","Preparation and Molecular Structure of a Cyclopentyl-Substituted Cage Hexasilsesquioxane T6 (T = cyclopentyl-SiO1.5) Starting from the Corresponding Silanetriol","Inorganics","2017","5","","66","","10.3390/inorganics5040066","","","0.71073","MoKα","","0.0372","0.0344","","","0.0867","0.0903","","","","","","1.159","","","","has coordinates,has disorder","245046","2020-10-21","18:00:00",""
"1556547","16.2855","0.0008","22.346","0.0011","19.6563","0.0009","90","","90","","90","","7153.2","0.6","100","2","100","2","","","","","","","synthetical product","4","C c c a :2","-C 2a 2ac","68","1,3,5,7,9,11-hexacyclopentyltetracyclo(5.5.1.1^3,11^.1^5,9^)hexasiloxane","1,3,5,7,9,11-hexacyclopentyltetracyclo(5.5.1.1^3,11^.1^5,9^)hexasiloxane","","- C30 H54 O9 Si6 -","- C30 H54 O9 Si6 -","- C240 H432 O72 Si48 -","8","0.5","","Kahr, J.; Belaj, F.; Pietschnig, R.","Preparation and Molecular Structure of a Cyclopentyl-Substituted Cage Hexasilsesquioxane T6 (T = cyclopentyl-SiO1.5) Starting from the Corresponding Silanetriol","Inorganics","2017","5","","66","","10.3390/inorganics5040066","","","0.71073","MoKα","","0.0533","0.0378","","","0.0994","0.1049","","","","","","1.052","","","","has coordinates","245046","2020-10-21","18:00:00",""
"1556548","21.594","0.003","27.753","0.004","23.938","0.003","90","","93.631","0.003","90","","14317","3","150","2","150","2","","","","","","","","7","C 1 2/c 1","-C 2yc","15","","","","- C69 H45 Cl2 F18 N3 P4 Ru -","- C69 H45 Cl2 F18 N3 P4 Ru -","- C552 H360 Cl16 F144 N24 P32 Ru8 -","8","1","","Van de Watering, F.F.; Heijtbrink, N.; Van der Vlugt, J.I.; Dzik, W.I.; De Bruin, B.; Reek, J.N.H.","3-Methylindole-Based Tripodal Tetraphosphine Ruthenium Complexes in N2 Coordination and Reduction and Formic Acid Dehydrogenation","Inorganics","2017","5","","73","","10.3390/inorganics5040073","","","0.71073","MoKα","","0.1275","0.0715","","","0.1777","0.1975","","","","","","1.053","","","","has coordinates","245047","2020-10-21","18:00:00",""
"1556549","14.2851","0.0006","18.909","0.0008","29.8721","0.0012","90","","97.011","0.002","90","","8008.6","0.6","150","2","150","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C69 H45 F18 N5 P4 Ru -","- C69 H45 F18 N5 P4 Ru -","- C276 H180 F72 N20 P16 Ru4 -","4","1","","Van de Watering, F.F.; Heijtbrink, N.; Van der Vlugt, J.I.; Dzik, W.I.; De Bruin, B.; Reek, J.N.H.","3-Methylindole-Based Tripodal Tetraphosphine Ruthenium Complexes in N2 Coordination and Reduction and Formic Acid Dehydrogenation","Inorganics","2017","5","","73","","10.3390/inorganics5040073","","","0.71073","MoKα","","0.088","0.0666","","","0.1867","0.2002","","","","","","1.436","","","","has coordinates","245048","2020-10-21","18:00:00",""
"1556550","19.1879","0.0009","18.1604","0.0008","19.7879","0.0009","90","","91.012","0.002","90","","6894.2","0.5","150","2","150","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C65 H55 Cl6 N3 P4 Ru -","- C65 H55 Cl6 N3 P4 Ru -","- C260 H220 Cl24 N12 P16 Ru4 -","4","1","","Van de Watering, F.F.; Heijtbrink, N.; Van der Vlugt, J.I.; Dzik, W.I.; De Bruin, B.; Reek, J.N.H.","3-Methylindole-Based Tripodal Tetraphosphine Ruthenium Complexes in N2 Coordination and Reduction and Formic Acid Dehydrogenation","Inorganics","2017","5","","73","","10.3390/inorganics5040073","","","0.71073","MoKα","","0.0505","0.0412","","","0.1353","0.1435","","","","","","1.134","","","","has coordinates","245049","2020-10-21","18:00:00",""
"1556551","20.526","0.0016","10.367","0.0006","17.0858","0.001","90","","90","","90","","3635.7","0.4","170","","170","","","","","","","","","5","P n a 21","P 2c -2n","33","","","","- C41 H39 I Ni P3 -","- C41 H39 I Ni P3 -","- C164 H156 I4 Ni4 P12 -","4","1","","Iffland, L.; Petuker, A.; Van Gastel, M.; Apfel, U.-P.","Mechanistic Implications for the Ni(I)-Catalyzed Kumada Cross-Coupling Reaction","Inorganics","2017","5","","78","","10.3390/inorganics5040078","","","0.71073","MoKα","","0.2132","0.0787","","","0.1646","0.2167","","","","","","0.941","","","","has coordinates","245050","2020-10-21","18:00:00",""
"1556552","10.337","0.006","10.816","0.006","12.119","0.007","72.216","0.016","84.13","0.02","69.554","0.017","1208.9","1.2","93","","93","","","","","","","","","3","P -1","-P 1","2","","","","- C31.5 H27 O2.5 -","- C31.5 H27 O2.5 -","- C63 H54 O5 -","2","1","","Nguyen, H.N.; Tashima, N.; Ikariya, T.; Kuwata, S.","Ruthenium-Catalyzed Dimerization of 1,1-Diphenylpropargyl Alcohol to a Hydroxybenzocyclobutene and Related Reactions","Inorganics","2017","5","","80","","10.3390/inorganics5040080","","","0.71075","MoKα","","0.062","0.051","","","0.1383","0.1477","","","","","","0.98","","","","has coordinates,has disorder","245051","2020-10-21","18:00:00",""
"1556553","17.089","0.004","12.512","0.003","20.001","0.004","90","","107.378","0.002","90","","4081.4","1.6","123","","123","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C55 H50 O3 Ru -","- C55 H50 O3 Ru -","- C220 H200 O12 Ru4 -","4","1","","Nguyen, H.N.; Tashima, N.; Ikariya, T.; Kuwata, S.","Ruthenium-Catalyzed Dimerization of 1,1-Diphenylpropargyl Alcohol to a Hydroxybenzocyclobutene and Related Reactions","Inorganics","2017","5","","80","","10.3390/inorganics5040080","","","0.71075","MoKα","","0.0392","0.0332","","","0.0774","0.0795","","","","","","1.359","","","","has coordinates","245051","2020-10-21","18:00:00",""
"1556554","10.8179","0.0006","22.0783","0.0012","22.8654","0.0012","90","","92.1391","0.0012","90","","5457.4","0.5","193","","193","","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C38 H78 N4 Pd4 Si3 -","- C41.5 H78 N4 Pd4 Si3 -","- C166 H312 N16 Pd16 Si12 -","4","1","","Sunada, Y.; Taniyama, N.; Shimamoto, K.; Kyushin, S.; Nagashima, H.","Construction of a Planar Tetrapalladium Cluster by the Reaction of Palladium(0) Bis(isocyanide) with Cyclic Tetrasilane","Inorganics","2017","5","","84","","10.3390/inorganics5040084","","","0.71075","MoKα","","0.0537","0.0516","","","0.1496","0.1518","","","","","","1.101","","","","has coordinates","245052","2020-10-21","18:00:00",""
"1556555","14.505","0.003","15.339","0.004","15.655","0.004","89.593","0.012","63.724","0.006","81.301","0.011","3080.2","1.3","193","","193","","","","","","","","","5","P -1","-P 1","2","","","","- C51 H100 N6 Pd4 Si3 -","- C51 H100 N6 Pd4 Si3 -","- C102 H200 N12 Pd8 Si6 -","2","1","","Sunada, Y.; Taniyama, N.; Shimamoto, K.; Kyushin, S.; Nagashima, H.","Construction of a Planar Tetrapalladium Cluster by the Reaction of Palladium(0) Bis(isocyanide) with Cyclic Tetrasilane","Inorganics","2017","5","","84","","10.3390/inorganics5040084","","","0.71075","MoKα","","0.0585","0.0439","","","0.0933","0.1016","","","","","","1.076","","","","has coordinates","245052","2020-10-21","18:00:00",""
"1556556","11.2891","0.0018","12.711","0.002","19.549","0.003","81.516","0.006","85.854","0.006","64.096","0.005","2495.6","0.7","103","","103","","","","","","","","","6","P -1","-P 1","2","","","","- C36 H75 O9 P3 Pd3 Si3 -","- C38.5 H75 O9 P3 Pd3 Si3 -","- C77 H150 O18 P6 Pd6 Si6 -","2","1","","Sunada, Y.; Taniyama, N.; Shimamoto, K.; Kyushin, S.; Nagashima, H.","Construction of a Planar Tetrapalladium Cluster by the Reaction of Palladium(0) Bis(isocyanide) with Cyclic Tetrasilane","Inorganics","2017","5","","84","","10.3390/inorganics5040084","","","0.71075","synchrotron","","0.0523","0.037","","","0.0774","0.083","","","","","","1.023","","","","has coordinates","245052","2020-10-21","18:00:00",""
"1556557","13.4778","0.0017","15.173","0.002","17.57","0.002","90","","90","","90","","3593","0.8","100","2","100","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C13 H28 Cl2 N4 Zn -","- C13 H28 Cl2 N4 Zn -","- C104 H224 Cl16 N32 Zn8 -","8","2","","Metz, A.; Heck, J.; Gohlke, C.M.; Krockert, K.; Louven, Y.; McKeown, P.; Hoffmann, A.; Jones, M.D.; Herres-Pawlis, S.","Reactivity of Zinc Halide Complexes Containing Camphor-Derived Guanidine Ligands with Technical rac-Lactide","Inorganics","2017","5","","85","","10.3390/inorganics5040085","","","0.71073","MoKα","","0.0579","0.0438","","","0.0888","0.0942","","","","","","0.946","","","","has coordinates","245053","2020-10-21","18:00:00",""
"1556558","9.4718","0.0016","18.095","0.003","10.1331","0.0018","90","","103.908","0.003","90","","1685.8","0.5","100","2","100","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C13 H26 Cl2 N4 Zn -","- C13 H26 Cl2 N4 Zn -","- C52 H104 Cl8 N16 Zn4 -","4","2","","Metz, A.; Heck, J.; Gohlke, C.M.; Krockert, K.; Louven, Y.; McKeown, P.; Hoffmann, A.; Jones, M.D.; Herres-Pawlis, S.","Reactivity of Zinc Halide Complexes Containing Camphor-Derived Guanidine Ligands with Technical rac-Lactide","Inorganics","2017","5","","85","","10.3390/inorganics5040085","","","0.71073","MoKα","","0.06","0.0434","","","0.0885","0.0942","","","","","","0.985","","","","has coordinates","245054","2020-10-21","18:00:00",""
"1556559","9.2972","0.0019","14.257","0.003","13.2","0.003","90","","101.844","0.003","90","","1712.4","0.6","100","2","100","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C13 H26 Br2 N4 Zn -","- C13 H26 Br2 N4 Zn -","- C52 H104 Br8 N16 Zn4 -","4","2","","Metz, A.; Heck, J.; Gohlke, C.M.; Krockert, K.; Louven, Y.; McKeown, P.; Hoffmann, A.; Jones, M.D.; Herres-Pawlis, S.","Reactivity of Zinc Halide Complexes Containing Camphor-Derived Guanidine Ligands with Technical rac-Lactide","Inorganics","2017","5","","85","","10.3390/inorganics5040085","","","0.71073","MoKα","","0.0519","0.0455","","","0.1129","0.1164","","","","","","1.027","","","","has coordinates","245055","2020-10-21","18:00:00",""
"1556747","4.0922","0.001","4.0922","0.001","20.459","0.009","90","","90","","120","","296.71","0.17","99.98","0.12","99.98","0.12","","","","","","","","2","R -3 m :H","-R 3 2""","166","","","","- Cu1.95 Se -","- Cu1.946 Se -","- Cu11.676 Se6 -","6","0.166667","","Eikeland, Espen; Blichfeld, Anders B.; Borup, Kasper A.; Zhao, Kunpeng; Overgaard, Jacob; Shi, Xun; Chen, Lidong; Iversen, Bo B.","Crystal structure across the β to α phase transition in thermoelectric Cu<sub>2-<i>x</i></sub> Se.","IUCrJ","2017","4","Pt 4","476","485","10.1107/S2052252517005553","","x-ray","0.71073","MoKα","","0.0631","0.0631","","","0.1522","0.1522","","","","","","1.29","","","","has coordinates,has disorder","245730","2020-10-21","18:00:00",""
"1556748","4.1227","0.0008","4.1227","0.0008","20.449","0.006","90","","90","","120","","301","0.12","295","","295","","","","","","","","","2","R -3 m :H","-R 3 2""","166","","alpha-Cu2-xSe","","- Cu1.95 Se -","- Cu1.946 Se -","- Cu11.676 Se6 -","6","0.166667","","Eikeland, Espen; Blichfeld, Anders B.; Borup, Kasper A.; Zhao, Kunpeng; Overgaard, Jacob; Shi, Xun; Chen, Lidong; Iversen, Bo B.","Crystal structure across the β to α phase transition in thermoelectric Cu<sub>2-<i>x</i></sub> Se.","IUCrJ","2017","4","Pt 4","476","485","10.1107/S2052252517005553","","","0.71073","MoKα","","0.0605","0.0593","","","0.1562","0.1575","","","","","","1.217","","","","has coordinates,has disorder","245730","2020-10-21","18:00:00",""
"1556749","4.1299","0.0008","4.1299","0.0008","20.393","0.006","90","","90","","120","","301.22","0.12","355","0.1","355","0.1","","","","","","","","2","R -3 m :H","-R 3 2""","166","","","","- Cu1.95 Se -","- Cu1.937 Se -","- Cu11.622 Se6 -","6","0.166667","","Eikeland, Espen; Blichfeld, Anders B.; Borup, Kasper A.; Zhao, Kunpeng; Overgaard, Jacob; Shi, Xun; Chen, Lidong; Iversen, Bo B.","Crystal structure across the β to α phase transition in thermoelectric Cu<sub>2-<i>x</i></sub> Se.","IUCrJ","2017","4","Pt 4","476","485","10.1107/S2052252517005553","","","0.71073","MoKα","","0.0895","0.0867","","","0.2414","0.2452","","","","","","1.252","","","","has coordinates,has disorder","245730","2020-10-21","18:00:00",""
"1556750","4.1323","0.001","4.1323","0.001","20.358","0.009","90","","90","","120","","301.06","0.17","364.97","0.13","364.97","0.13","","","","","","","","2","R -3 m :H","-R 3 2""","166","","","","- Cu1.95 Se -","- Cu1.937 Se -","- Cu11.622 Se6 -","6","0.166667","","Eikeland, Espen; Blichfeld, Anders B.; Borup, Kasper A.; Zhao, Kunpeng; Overgaard, Jacob; Shi, Xun; Chen, Lidong; Iversen, Bo B.","Crystal structure across the β to α phase transition in thermoelectric Cu<sub>2-<i>x</i></sub> Se.","IUCrJ","2017","4","Pt 4","476","485","10.1107/S2052252517005553","","","0.71073","MoKα","","0.1027","0.1004","","","0.2758","0.2778","","","","","","1.389","","","","has coordinates,has disorder","245730","2020-10-21","18:00:00",""
"1556751","4.1327","0.0007","4.1327","0.0007","20.281","0.005","90","","90","","120","","299.98","0.1","372","0.1","372","0.1","","","","","","","","2","R -3 m :H","-R 3 2""","166","","","","- Cu1.95 Se -","- Cu1.937 Se -","- Cu11.622 Se6 -","6","0.166667","","Eikeland, Espen; Blichfeld, Anders B.; Borup, Kasper A.; Zhao, Kunpeng; Overgaard, Jacob; Shi, Xun; Chen, Lidong; Iversen, Bo B.","Crystal structure across the β to α phase transition in thermoelectric Cu<sub>2-<i>x</i></sub> Se.","IUCrJ","2017","4","Pt 4","476","485","10.1107/S2052252517005553","","","0.71073","MoKα","","0.1009","0.0995","","","0.2864","0.2875","","","","","","1.429","","","","has coordinates,has disorder","245730","2020-10-21","18:00:00",""
"1556752","5.8449","0.0002","5.8449","0.0002","5.8449","0.0002","90","","90","","90","","199.678","0.012","379.99","0.13","293","2","","","","","","","","2","F m -3 m","-F 4 2 3","225","","","","- Cu1.95 Se -","- Cu1.948 Se -","- Cu7.792 Se4 -","4","0.0208333","","Eikeland, Espen; Blichfeld, Anders B.; Borup, Kasper A.; Zhao, Kunpeng; Overgaard, Jacob; Shi, Xun; Chen, Lidong; Iversen, Bo B.","Crystal structure across the β to α phase transition in thermoelectric Cu<sub>2-<i>x</i></sub> Se.","IUCrJ","2017","4","Pt 4","476","485","10.1107/S2052252517005553","","","0.71073","MoKα","","0.0484","0.0484","","","0.1062","0.1062","","","","","","1.354","","","","has coordinates,has disorder","245730","2020-10-21","18:00:00",""
"1556753","5.8538","0.0003","5.8538","0.0003","5.8538","0.0003","90","","90","","90","","200.592","0.018","400","0.11","293","2","","","","","","","","2","F m -3 m","-F 4 2 3","225","","","","- Cu1.94 Se -","- Cu1.948 Se -","- Cu7.792 Se4 -","4","0.0208333","","Eikeland, Espen; Blichfeld, Anders B.; Borup, Kasper A.; Zhao, Kunpeng; Overgaard, Jacob; Shi, Xun; Chen, Lidong; Iversen, Bo B.","Crystal structure across the β to α phase transition in thermoelectric Cu<sub>2-<i>x</i></sub> Se.","IUCrJ","2017","4","Pt 4","476","485","10.1107/S2052252517005553","","","0.71073","MoKα","","0.0425","0.0425","","","0.087","0.087","","","","","","1.292","","","","has coordinates,has disorder","245730","2020-10-21","18:00:00",""
"1556754","4.1017","0.001","4.1017","0.001","20.42","0.007","90","","90","","120","","297.52","0.14","104","6","104","6","","","","","","","","2","R -3 m :H","-R 3 2""","166","","","","- Cu1.77 Se -","- Cu1.765 Se -","- Cu10.59 Se6 -","6","0.166667","","Eikeland, Espen; Blichfeld, Anders B.; Borup, Kasper A.; Zhao, Kunpeng; Overgaard, Jacob; Shi, Xun; Chen, Lidong; Iversen, Bo B.","Crystal structure across the β to α phase transition in thermoelectric Cu<sub>2-<i>x</i></sub> Se.","IUCrJ","2017","4","Pt 4","476","485","10.1107/S2052252517005553","","x-ray","0.71073","MoKα","","0.0746","0.0746","","","0.2162","0.2162","","","","","","1.348","","","","has coordinates,has disorder","245730","2020-10-21","18:00:00",""
"1556755","4.1019","0.0016","4.1019","0.0016","20.533","0.009","90","","90","","120","","299.2","0.2","99.99","0.14","99.99","0.14","","","","","","","","2","R -3 m :H","-R 3 2""","166","","","","- Cu1.89 Se -","- Cu1.889 Se -","- Cu11.334 Se6 -","6","0.166667","","Eikeland, Espen; Blichfeld, Anders B.; Borup, Kasper A.; Zhao, Kunpeng; Overgaard, Jacob; Shi, Xun; Chen, Lidong; Iversen, Bo B.","Crystal structure across the β to α phase transition in thermoelectric Cu<sub>2-<i>x</i></sub> Se.","IUCrJ","2017","4","Pt 4","476","485","10.1107/S2052252517005553","","x-ray","0.71073","MoKα","","0.086","0.0791","","","0.1837","0.1916","","","","","","1.07","","","","has coordinates,has disorder","245730","2020-10-21","18:00:00",""
"1556848","14.4124","0.0007","14.9172","0.0006","15.1412","0.0006","90","","100.377","0.001","90","","3202","0.2","100","2","100","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","Ethyl 4-(2,5-dimethylphenyl)-6-methyl-2-sulfanylidene-1,2,3,4-tetrahydropyrimidine-5-carboxylate","","- C16 H20 N2 O2 S -","- C16 H20 N2 O2 S -","- C128 H160 N16 O16 S8 -","8","2","HB4170","R, Shashi; Begum, Noor Shahina","Ethyl 4-(2,5-dimethylphenyl)-6-methyl-2-sulfanylidene-1,2,3,4-tetrahydropyrimidine-5-carboxylate","IUCrData","2017","2","10","x171440","","10.1107/S2414314617014407","","","0.71073","MoKα","","0.0767","0.0494","","","0.1235","0.1464","","","","","","0.782","","","","has coordinates,has disorder,has Fobs","246296","2020-10-21","18:00:00",""
"1559271","35.83","0.002","14.292","0.009","11.057","0.006","90","","90","","90","","5662","5","194","2","194","2","","","","","","","","6","P n a 21","P 2c -2n","33","","[<i>N</i>-(2-Anilinoethyl)-<i>N</i>'-(trimethylsilyl)benzenecarboximidamidato-κ^3^<i>N</i>,<i>N</i>',<i>N</i>''](benzonitrile-κ<i>N</i>)trichloridozirconium(IV)","","- C25 H29 Cl3 N4 Si Zr -","- C25 H29 Cl3 N4 Si Zr -","- C200 H232 Cl24 N32 Si8 Zr8 -","8","2","ZQ4018","Li, Wei; Bai, Shengdi; Su, Feng; Duan, Xine; Liu, Diansheng","[<i>N</i>-(2-Anilinoethyl)-<i>N</i>'-(trimethylsilyl)benzenecarboximidamidato-κ^3^<i>N</i>,<i>N</i>',<i>N</i>''](benzonitrile-κ<i>N</i>)trichloridozirconium(IV)","IUCrData","2017","2","3","x170380","","10.1107/S2414314617003807","","","0.71073","MoKα","","0.1377","0.0662","","","0.1429","0.1937","","","","","","1.004","","","","has coordinates,has Fobs","257225","2020-10-21","18:00:00",""
"1560252","8.7039","0.0004","11.9985","0.0006","16.3531","0.0008","90","","90","","90","","1707.82","0.14","100","2","100","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","NH4Th(NO3)5 . 5H2O","","","- H14 N6 O20 Th -","- H14 N6 O20 Th -","- H56 N24 O80 Th4 -","4","1","","A.V. Knyazev; M.E. Komshina; E.V. Baranov; I.A. Savushkin; O.V. Nipruk; A.Yu. Lukoyanov","Structural study of dehydration mechanisms of NH4Th(NO3)5.9H2O","Journal of Solid State Chemistry","2017","256","","1","5","10.1016/j.jssc.2017.08.021","","","0.71073","MoKα","","0.0268","0.0259","","","0.0603","0.0607","","","","","","1.062","","","","has coordinates,has disorder","261387","2021-02-03","08:55:42",""
"1560253","10.5476","0.0005","14.0444","0.0007","15.5287","0.0008","90","","109.5","0.0007","90","","2168.4","0.19","100","2","100","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","NH4Th(NO3)5 . 9H2O","","","- H22 N6 O24 Th -","- H22 N6 O24 Th -","- H88 N24 O96 Th4 -","4","1","","A.V. Knyazev; M.E. Komshina; E.V. Baranov; I.A. Savushkin; O.V. Nipruk; A.Yu. Lukoyanov","Structural study of dehydration mechanisms of NH4Th(NO3)5.9H2O","Journal of Solid State Chemistry","2017","256","","1","5","10.1016/j.jssc.2017.08.021","","","0.71073","MoKα","","0.033","0.0246","","","0.0545","0.0573","","","","","","1.014","","","","has coordinates,has disorder","261388","2021-02-03","08:56:09",""
"1560254","4.8578","0.0002","25.2786","0.0011","10.9482","0.0005","90","","97.952","0.001","90","","1331.49","0.1","298","2","298","2","","","","","","","","5","C 1 c 1","C -2yc","9","{[CuCN][Cu(isonic)2]}n","","","- C13 H8 Cu2 N3 O4 -","- C13 H8 Cu2 N3 O4 -","- C52 H32 Cu8 N12 O16 -","4","1","","Dong-Sheng Liu; Wen-Tong Chen; Guang-Ming Ye; Jing Zhang; Yan Sui","Synthesis and characterization of a multifunctional inorganic-organic hybrid mixed-valence copper(I/II) coordination polymer: {[CuCN][Cu(isonic)2]}n","Journal of Solid State Chemistry","2017","256","","14","18","10.1016/j.jssc.2017.08.017","","","0.71073","MoKα","","0.0228","0.0209","","","0.0504","0.0509","","","","","","1.009","","","","has coordinates,has Fobs","261389","2021-02-03","09:14:38",""
"1560255","9.243","0.002","18.985","0.005","19.661","0.005","77.576","0.014","76.453","0.013","89.893","0.013","3271.3","1.4","296","2","296","2","","","","","","","","5","P -1","-P 1","2","Co(II)-btc-dmp polymer","Poly[octakis(3,5-dimethylpyrazole)bis (benzene 1,3,5-tricarboxylato)tricobalt(II)]","","- C29 H35 Co1.5 N8 O6 -","- C29 H35 Co1.5 N8 O6 -","- C116 H140 Co6 N32 O24 -","4","2","","Sanchay J. Bora; Rima Paul; Mithun Nandi; Pradip K. Bhattacharyya","Two-fold interpenetrating btc based cobaltous coordination polymer: A promising catalyst for solvent free oxidation of 1-hexene","Journal of Solid State Chemistry","2017","256","","38","44","10.1016/j.jssc.2017.08.034","","","0.71073","MoKα","","0.1351","0.0471","","","0.1166","0.1404","","","","","","0.948","","","","has coordinates","261390","2021-02-03","09:29:56",""
"1560256","13.8141","0.0003","4.1649","0.0001","11.4008","0.0002","90","","90","","90","","655.94","0.02","","","296","","","","","","","","","4","P n m a","-P 2ac 2n","62","TlNdAg2S3","","","- Ag2 Nd S3 Tl -","- Ag2 Nd S3 Tl -","- Ag8 Nd4 S12 Tl4 -","4","0.5","","Abdeljalil Assoud; Yixuan Shi; Quansheng Guo; Holger Kleinke","Crystal and electronic structure of the new quaternary sulfides TlLnAg2S3 (Ln = Nd, Sm and Gd)","Journal of Solid State Chemistry","2017","256","","6","9","10.1016/j.jssc.2017.08.028","","x-ray","0.71073","MoKα","","","0.021","","","0.045","","","","","","","1.07","","","","has coordinates","261391","2021-02-03","09:49:54",""
"1560257","13.6341","0.001","13.6341","0.001","14.6643","0.0011","90","","90","","90","","2725.9","0.3","133","2","133","2","","","","","","","","6","P -4 21 m","P -4 2ab","113","2(C8 H20 N), Cl0.15 I3.85 Zn","","","- C16 H40 Cl0.15 I3.85 N2 Zn -","- C16 H40 Cl0.152 I3.848 N2 Zn -","- C64 H160 Cl0.608 I15.392 N8 Zn4 -","4","0.5","","Najla Mahbouli Rhouma; Ali Rayes; Francesco Mezzadri; Davide Delmonte; Riccardi Cabassi; Gianluca Calestani; Mohamed Loukil","Structural and electrical phase transitions in the [(C2H5)4N]2ZnI3.86Cl0.14 system","Journal of Solid State Chemistry","2017","256","","60","66","10.1016/j.jssc.2017.08.029","","","0.71073","MoKα","","0.0338","0.03","","","0.0708","0.0729","","","","","","1.075","","","","has coordinates,has disorder","261392","2021-02-03","10:18:47",""
"1560258","13.7327","0.0008","13.7327","0.0008","14.7484","0.0008","90","","90","","90","","2781.4","0.3","233","2","233","2","","","","","","","","6","P -4 21 m","P -4 2ab","113","2(C8 H20 N), Cl0.12 I3.88 Zn","","","- C16 H40 Cl0.12 I3.88 N2 Zn -","- C16 H40 Cl0.124 I3.876 N2 Zn -","- C64 H160 Cl0.496 I15.504 N8 Zn4 -","4","0.5","","Najla Mahbouli Rhouma; Ali Rayes; Francesco Mezzadri; Davide Delmonte; Riccardi Cabassi; Gianluca Calestani; Mohamed Loukil","Structural and electrical phase transitions in the [(C2H5)4N]2ZnI3.86Cl0.14 system","Journal of Solid State Chemistry","2017","256","","60","66","10.1016/j.jssc.2017.08.029","","","0.71073","MoKα","","0.0321","0.0304","","","0.0698","0.0708","","","","","","1.094","","","","has coordinates,has disorder","261393","2021-02-03","10:19:05",""
"1560259","13.7471","0.0009","13.7471","0.0009","14.7993","0.0012","90","","90","","90","","2796.8","0.3","293","2","293","2","","","","","","","","6","P -4 21 m","P -4 2ab","113","2(C8 H20 N), Cl0.18 I3.82 Zn","","","- C16 H40 Cl0.18 I3.82 N2 Zn -","- C16 H41 Cl0.18 I3.82 N2 Zn -","- C64 H164 Cl0.72 I15.28 N8 Zn4 -","4","0.5","","Najla Mahbouli Rhouma; Ali Rayes; Francesco Mezzadri; Davide Delmonte; Riccardi Cabassi; Gianluca Calestani; Mohamed Loukil","Structural and electrical phase transitions in the [(C2H5)4N]2ZnI3.86Cl0.14 system","Journal of Solid State Chemistry","2017","256","","60","66","10.1016/j.jssc.2017.08.029","","","0.71073","MoKα","","0.0501","0.0418","","","0.1042","0.1101","","","","","","1.052","","","","has coordinates,has disorder","261394","2021-02-03","10:19:29",""
"1560260","13.865","0.005","13.865","0.005","14.833","0.006","90","","90","","90","","2851.5","1.9","333","2","333","2","","","","","","","","6","P -4 21 m","P -4 2ab","113","2(C8 H20 N), Cl0.12 I3.88 Zn","","","- C16 H40 Cl0.12 I3.88 N2 Zn -","- C16 H40 Cl0.124 I3.876 N2 Zn -","- C64 H160 Cl0.496 I15.504 N8 Zn4 -","4","0.5","","Najla Mahbouli Rhouma; Ali Rayes; Francesco Mezzadri; Davide Delmonte; Riccardi Cabassi; Gianluca Calestani; Mohamed Loukil","Structural and electrical phase transitions in the [(C2H5)4N]2ZnI3.86Cl0.14 system","Journal of Solid State Chemistry","2017","256","","60","66","10.1016/j.jssc.2017.08.029","","","0.71073","MoKα","","0.0633","0.0545","","","0.1294","0.1351","","","","","","1.115","","","","has coordinates,has disorder","261395","2021-02-03","10:19:45",""
"1560261","15.718","0.002","17.893","0.003","10.5835","0.0015","90","","90","","90","","2976.5","0.8","453","1","453","1","","","","","","","","6","P n a 21","P 2c -2n","33","2(C8 H20 N), Cl0.14 I3.86 Zn","","","- C16 H40 Cl0.14 I3.86 N2 Zn -","- Cl0.14 I3.86 Re2 Zn -","- Cl0.56 I15.44 Re8 Zn4 -","4","1","","Najla Mahbouli Rhouma; Ali Rayes; Francesco Mezzadri; Davide Delmonte; Riccardi Cabassi; Gianluca Calestani; Mohamed Loukil","Structural and electrical phase transitions in the [(C2H5)4N]2ZnI3.86Cl0.14 system","Journal of Solid State Chemistry","2017","256","","60","66","10.1016/j.jssc.2017.08.029","powder diffraction","x-ray","1.5418","CuKα","","0.1845","0.1266","","0.1569","0.1381","","","","0.15","","","","","","","has coordinates","261396","2021-02-03","10:19:58",""
"1560299","8.1291","0.0004","8.1291","0.0004","8.1291","0.0004","90","","90","","90","","537.19","0.05","293","","293","","","","","","","","","4","I -4 3 m","I -4 2 3","217","","","","- F6 O6 Sb4 Zn3 -","- F6 O6 Sb4 Zn3 -","- F12 O12 Sb8 Zn6 -","2","0.0416667","","Sk Imran Alia; Weiguo Zhangb; P. Shiv Halasyamanib; Mats Johnsson","Zn3Sb4O6F6: Hydrothermal synthesis, crystal structure and nonlinear optical properties","Journal of Solid State Chemistry","2017","256","","158","161","10.1016/j.jssc.2017.08.033","","x-ray","0.71069","MoKα","","0.0218","0.0208","","","0.0253","0.0255","","","","1.77","1.77","1.75","","","","has coordinates","261846","2021-02-08","10:26:27",""
"1560317","10.46","0.0009","37.964","0.003","9.4331","0.0008","90","","101.177","0.002","90","","3674.9","0.5","298","2","298","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C39 H28 Cd N6 O5 -","- C39 H28 Cd N6 O5 -","- C156 H112 Cd4 N24 O20 -","4","1","","Zhu, Zheng; Wang, Mei; Xu, Cun-gang; Zong, Zi-ao; Zhang, Dong-mei; Bi, Shuang-yu; Fan, Yu-hua","A multifunctional three-fold interpenetrated coordination polymer showing excellent luminescent sensing for Cr(VI)/ Fe(III) and photocatalytic properties","Journal of Solid State Chemistry","2017","256","","176","183","10.1016/j.jssc.2017.09.005","","","0.71073","MoKα","","0.1601","0.0853","","","0.1508","0.168","","","","","","1.05","","","","has coordinates","261868","2021-02-10","13:03:11",""
"1560323","8.755","0.01","12.489","0.014","27.16","0.03","81.436","0.012","89.689","0.012","74.665","0.013","2830","6","296","2","296","2","","","","","","","","5","P -1","-P 1","2","","","","- C42 H108 I26 N12 Pb7 -","- C42 H108 I26 N12 Pb7 -","- C42 H108 I26 N12 Pb7 -","1","0.5","","Hao, Yanhuan; Wang, Jiawei; Wei, Zhenhong; Yu, Hui; Cai, Hu","The influence of stoichiometry on the structure and fluorescence of two organic‒inorganic hybrid complexes incorporating of 2-(2-aminoethyl)-1-methylpyrrolidine and lead iodide","Journal of Solid State Chemistry","2017","256","","184","188","10.1016/j.jssc.2017.09.007","","","0.71073","MoKα","","0.0943","0.0632","","","0.1709","0.1969","","","","","","1.101","","","","has coordinates","261882","2021-02-11","08:26:01",""
"1560324","7.838","0.003","25.272","0.01","12.028","0.005","90","","101.159","0.004","90","","2337.5","1.6","296","2","296","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C7 H18 I6 N2 Pb2 -","- C7 H18 I6 N2 Pb2 -","- C28 H72 I24 N8 Pb8 -","4","1","","Hao, Yanhuan; Wang, Jiawei; Wei, Zhenhong; Yu, Hui; Cai, Hu","The influence of stoichiometry on the structure and fluorescence of two organic‒inorganic hybrid complexes incorporating of 2-(2-aminoethyl)-1-methylpyrrolidine and lead iodide","Journal of Solid State Chemistry","2017","256","","184","188","10.1016/j.jssc.2017.09.007","","","0.71073","MoKα","","0.0677","0.0442","","","0.0996","0.1288","","","","","","1.058","","","","has coordinates","261882","2021-02-11","08:26:01",""
"1560325","14.3543","0.001","19.2806","0.0013","22.5002","0.0015","78.845","0.001","86.524","0.001","83.865","0.001","6069.4","0.7","296","2","296","2","","","","","","","","8","P -1","-P 1","2","","","","- C16 H228 As6 Er5 N8 Na5 O231 W42 -","- C16 H64 As6 Er5 N8 Na5 O214 W42 -","- C16 H64 As6 Er5 N8 Na5 O214 W42 -","1","0.5","","Liu, Jinglin; Li, Hailou; Zheng, Rui; Liu, Yajie; Jin, Guangfeng; Chen, Lijuan; Zhao, Junwei","Syntheses, structural characterization and photoluminescence properties of {AsO 2 (OH)}-bridging arsenotungstates incorporating lanthanide ions","Journal of Solid State Chemistry","2017","256","","196","202","10.1016/j.jssc.2017.09.015","","","0.71073","MoKα","","0.0626","0.0471","","","0.1226","0.1305","","","","","","0.971","","","","has coordinates,has disorder","261883","2021-02-11","08:36:02",""
"1560326","14.3149","0.0008","19.241","0.001","22.4553","0.0013","78.831","0.001","86.495","0.001","83.852","0.001","6027.7","0.6","296","2","296","2","","","","","","","","8","P -1","-P 1","2","","","","- C16 H228 As6 N8 Na5 O231 W42 Yb5 -","- C16 H64 As6 N8 Na5 O214 W42 Yb5 -","- C16 H64 As6 N8 Na5 O214 W42 Yb5 -","1","0.5","","Liu, Jinglin; Li, Hailou; Zheng, Rui; Liu, Yajie; Jin, Guangfeng; Chen, Lijuan; Zhao, Junwei","Syntheses, structural characterization and photoluminescence properties of {AsO 2 (OH)}-bridging arsenotungstates incorporating lanthanide ions","Journal of Solid State Chemistry","2017","256","","196","202","10.1016/j.jssc.2017.09.015","","","0.71073","MoKα","","0.0663","0.0439","","","0.1012","0.1095","","","","","","0.974","","","","has coordinates,has disorder","261883","2021-02-11","08:36:03",""
"1560327","5.6975","0.0001","5.6975","0.0001","18.9486","0.0003","90","","90","","120","","532.692","0.016","298","0.2","298","0.2","","","","","","","","4","R -3 m :H","-R 3 2""","166","","","","- Cd K2 O6 Se2 -","- Cd K2 O6 Se2 -","- Cd3 K6 O18 Se6 -","3","0.0833333","","Lü, Minfeng; Jo, Hongil; Oh, Seung-Jin; Ok, Kang Min","New quaternary alkali metal cadmium selenites, A 2 Cd(SeO 3 ) 2 (A = K, Rb, and Cs) and Li 2 Cd 3 (SeO 3 ) 4","Journal of Solid State Chemistry","2017","256","","213","218","10.1016/j.jssc.2017.09.014","","x-ray","0.71073","MoKα","","0.0205","0.0196","","","0.0469","0.0471","","","","","","1.284","","","","has coordinates","261884","2021-02-11","08:47:05",""
"1560328","5.7503","0.0001","5.7503","0.0001","19.6685","0.0006","90","","90","","120","","563.23","0.02","298","0.2","298","0.2","","","","","","","","4","R -3 m :H","-R 3 2""","166","","","","- Cd O6 Rb2 Se2 -","- Cd O6 Rb2 Se2 -","- Cd3 O18 Rb6 Se6 -","3","0.0833333","","Lü, Minfeng; Jo, Hongil; Oh, Seung-Jin; Ok, Kang Min","New quaternary alkali metal cadmium selenites, A 2 Cd(SeO 3 ) 2 (A = K, Rb, and Cs) and Li 2 Cd 3 (SeO 3 ) 4","Journal of Solid State Chemistry","2017","256","","213","218","10.1016/j.jssc.2017.09.014","","x-ray","0.71073","MoKα","","0.0234","0.0204","","","0.0435","0.0442","","","","","","1.115","","","","has coordinates","261884","2021-02-11","08:47:05",""
"1560329","5.8254","0.0001","5.8254","0.0001","20.8009","0.0004","90","","90","","120","","611.314","0.019","298","0.2","298","0.2","","","","","","","","4","R -3 m :H","-R 3 2""","166","","","","- Cd Cs2 O6 Se2 -","- Cd Cs2 O6 Se2 -","- Cd3 Cs6 O18 Se6 -","3","0.0833333","","Lü, Minfeng; Jo, Hongil; Oh, Seung-Jin; Ok, Kang Min","New quaternary alkali metal cadmium selenites, A 2 Cd(SeO 3 ) 2 (A = K, Rb, and Cs) and Li 2 Cd 3 (SeO 3 ) 4","Journal of Solid State Chemistry","2017","256","","213","218","10.1016/j.jssc.2017.09.014","","x-ray","0.71073","MoKα","","0.032","0.0249","","","0.0502","0.0513","","","","","","1.147","","","","has coordinates","261884","2021-02-11","08:47:05",""
"1560330","7.7204","0.0002","8.659","0.0003","10.7265","0.0002","103.312","0.002","92.215","0.001","116.453","0.001","616.49","0.03","298","0.2","298","0.2","","","","","","","","4","P -1","-P 1","2","","","","- Cd3 Li2 O12 Se4 -","- Cd3 Li2 O12 Se4 -","- Cd6 Li4 O24 Se8 -","2","1","","Lü, Minfeng; Jo, Hongil; Oh, Seung-Jin; Ok, Kang Min","New quaternary alkali metal cadmium selenites, A 2 Cd(SeO 3 ) 2 (A = K, Rb, and Cs) and Li 2 Cd 3 (SeO 3 ) 4","Journal of Solid State Chemistry","2017","256","","213","218","10.1016/j.jssc.2017.09.014","","x-ray","0.71073","MoKα","","0.0489","0.0337","","","0.0562","0.0615","","","","","","1.018","","","","has coordinates","261884","2021-02-11","08:47:06",""
"1560331","12.4281","0.0007","26.2878","0.0015","13.7592","0.0008","90","","97.983","0.001","90","","4451.7","0.4","173","2","173","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C70 H66 Cd3 N4 O16 -","- C70 H66 Cd3 N4 O16 -","- C140 H132 Cd6 N8 O32 -","2","0.5","","Zhang, Jian-Yong; Cui, Peng-Hui; Shi, Jun-Xia; Zhang, Na; Deng, Wei","Supramolecular isomerism in cadmium (II) coordination polymers from benzene-1,3,5-tribenzoate (BTB): Syntheses, structures and luminescent properties","Journal of Solid State Chemistry","2017","256","","227","233","10.1016/j.jssc.2017.09.008","","","0.71073","MoKα","","0.0416","0.0348","","","0.1091","0.1143","","","","","","1.064","","","","has coordinates","261885","2021-02-11","09:37:15",""
"1560332","9.5879","0.0006","14.577","0.0009","14.811","0.0009","69.964","0.001","85.828","0.001","89.311","0.001","1939.4","0.2","173","2","173","2","","","","","","","","5","P -1","-P 1","2","","","","- C70 H66 Cd3 N4 O16 -","- C70 H66 Cd3 N4 O16 -","- C70 H66 Cd3 N4 O16 -","1","0.5","","Zhang, Jian-Yong; Cui, Peng-Hui; Shi, Jun-Xia; Zhang, Na; Deng, Wei","Supramolecular isomerism in cadmium (II) coordination polymers from benzene-1,3,5-tribenzoate (BTB): Syntheses, structures and luminescent properties","Journal of Solid State Chemistry","2017","256","","227","233","10.1016/j.jssc.2017.09.008","","","0.71073","MoKα","","0.0585","0.0503","","","0.1846","0.1941","","","","","","1.17","","","","has coordinates,has disorder","261886","2021-02-11","09:38:34",""
"1560333","29.787","0.002","17.1885","0.0012","15.4688","0.0011","90","","97.515","0.001","90","","7851.9","0.9","173","2","173","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C66 H58 Cd3 N4 O16 -","- C66 H58 Cd3 N4 O16 -","- C264 H232 Cd12 N16 O64 -","4","0.5","","Zhang, Jian-Yong; Cui, Peng-Hui; Shi, Jun-Xia; Zhang, Na; Deng, Wei","Supramolecular isomerism in cadmium (II) coordination polymers from benzene-1,3,5-tribenzoate (BTB): Syntheses, structures and luminescent properties","Journal of Solid State Chemistry","2017","256","","227","233","10.1016/j.jssc.2017.09.008","","","0.71073","MoKα","","0.0433","0.0369","","","0.1137","0.119","","","","","","0.93","","","","has coordinates,has disorder","261887","2021-02-11","09:40:08",""
"1560334","32.73","0.003","9.2717","0.0009","29.896","0.003","90","","113.742","0.002","90","","8304.5","1.4","173","2","173","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C37 H37 Cd2 N3 O11 -","- C37 H35 Cd2 N3 O11 -","- C296 H280 Cd16 N24 O88 -","8","1","","Zhang, Jian-Yong; Cui, Peng-Hui; Shi, Jun-Xia; Zhang, Na; Deng, Wei","Supramolecular isomerism in cadmium (II) coordination polymers from benzene-1,3,5-tribenzoate (BTB): Syntheses, structures and luminescent properties","Journal of Solid State Chemistry","2017","256","","227","233","10.1016/j.jssc.2017.09.008","","","0.71073","MoKα","","0.08","0.0661","","","0.181","0.1892","","","","","","1.033","","","","has coordinates","261888","2021-02-11","09:41:49",""
"1560335","5.2567","0.0002","5.2567","0.0002","12.2582","0.0003","90","","90","","120","","293.348","0.017","293","2","293","2","","","","","","","","5","P 63 m c","P 6c -2c","186","","","","- Ga H2 K O6 P2 -","- Ga H2 K O6 P2 -","- Ga2 H4 K2 O12 P4 -","2","0.166667","","Hamchaoui, Farida; Alonzo, Véronique; Marlart, Isabelle; Auguste, Sandy; Galven, Cyrille; Rebbah, Houria; Le Fur, Eric","Hydrothermal synthesis, structural and thermal characterizations of three open-framework gallium phosphites","Journal of Solid State Chemistry","2017","255","","8","12","10.1016/j.jssc.2017.07.030","","","0.71069","MoKα","","0.0324","0.023","","","0.049","0.0522","","","","","","0.8","","","","has coordinates","261889","2021-02-11","12:22:19",""
"1560336","5.2576","0.0002","5.2576","0.0002","12.9113","0.0004","90","","90","","120","","309.083","0.019","293","2","293","2","","","","","","","","5","P 63 m c","P 6c -2c","186","","","","- Ga H6 N O6 P2 -","- Ga H6 N O6 P2 -","- Ga2 H12 N2 O12 P4 -","2","0.166667","","Hamchaoui, Farida; Alonzo, Véronique; Marlart, Isabelle; Auguste, Sandy; Galven, Cyrille; Rebbah, Houria; Le Fur, Eric","Hydrothermal synthesis, structural and thermal characterizations of three open-framework gallium phosphites","Journal of Solid State Chemistry","2017","255","","8","12","10.1016/j.jssc.2017.07.030","","","0.71069","MoKα","","0.0292","0.0237","","","0.0537","0.056","","","","","","1.04","","","","has coordinates","261890","2021-02-11","12:23:42",""
"1560337","5.2702","0.0001","5.2702","0.0001","12.7619","0.0005","90","","90","","120","","306.973","0.015","293","2","293","2","","","","","","","","5","P 63 m c","P 6c -2c","186","","","","- Ga H2 O6 P2 Rb -","- Ga H2 O6 P2 Rb -","- Ga2 H4 O12 P4 Rb2 -","2","0.166667","","Hamchaoui, Farida; Alonzo, Véronique; Marlart, Isabelle; Auguste, Sandy; Galven, Cyrille; Rebbah, Houria; Le Fur, Eric","Hydrothermal synthesis, structural and thermal characterizations of three open-framework gallium phosphites","Journal of Solid State Chemistry","2017","255","","8","12","10.1016/j.jssc.2017.07.030","","","0.71069","MoKα","","0.0198","0.0158","","","0.0426","0.0446","","","","","","0.807","","","","has coordinates","261891","2021-02-11","12:24:52",""
"1560338","15.7099","0.0004","9.2267","0.0002","19.5764","0.0005","90","","98.046","0.003","90","","2809.68","0.12","293","2","293","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C11 H14 O10 Pr -","- C11 H14 O10 Pr -","- C88 H112 O80 Pr8 -","8","1","","Kariem, Mukaddus; Yawer, Mohd; Kumar, Manesh; Nawaz Sheikh, Haq; Sood, Puneet; Kolekar, Sanjay S.","Self-assembly of coordination polymers of Pr(III), Nd(III), Tb(III), Dy(III) and Ho(III) with 5-hydroxyisophthalic acid and adipic acid: Syntheses, structures, porosity, luminescence and magnetic properties","Journal of Solid State Chemistry","2017","255","","61","69","10.1016/j.jssc.2017.08.001","","x-ray","0.71073","MoKα","","0.0382","0.0322","","","0.0654","0.0713","","","","","","1.054","","","","has coordinates","261892","2021-02-11","17:01:51",""
"1560339","15.6336","0.0004","9.2052","0.0002","19.5231","0.0005","90","","97.917","0.002","90","","2782.8","0.12","293","2","293","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C11 H14 Nd O10 -","- C11 H14 Nd O10 -","- C88 H112 Nd8 O80 -","8","1","","Kariem, Mukaddus; Yawer, Mohd; Kumar, Manesh; Nawaz Sheikh, Haq; Sood, Puneet; Kolekar, Sanjay S.","Self-assembly of coordination polymers of Pr(III), Nd(III), Tb(III), Dy(III) and Ho(III) with 5-hydroxyisophthalic acid and adipic acid: Syntheses, structures, porosity, luminescence and magnetic properties","Journal of Solid State Chemistry","2017","255","","61","69","10.1016/j.jssc.2017.08.001","","x-ray","0.71073","MoKα","","0.0375","0.031","","","0.0781","0.0818","","","","","","1.104","","","","has coordinates","261893","2021-02-11","17:04:38",""
"1560340","15.4577","0.0005","9.0686","0.0002","19.3467","0.0006","90","","97.841","0.003","90","","2686.66","0.14","150","0.1","150","0.1","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C11 H14 O10 Tb -","- C11 H14 O10 Tb -","- C88 H112 O80 Tb8 -","8","1","","Kariem, Mukaddus; Yawer, Mohd; Kumar, Manesh; Nawaz Sheikh, Haq; Sood, Puneet; Kolekar, Sanjay S.","Self-assembly of coordination polymers of Pr(III), Nd(III), Tb(III), Dy(III) and Ho(III) with 5-hydroxyisophthalic acid and adipic acid: Syntheses, structures, porosity, luminescence and magnetic properties","Journal of Solid State Chemistry","2017","255","","61","69","10.1016/j.jssc.2017.08.001","","x-ray","0.71073","MoKα","","0.034","0.0296","","","0.0748","0.0788","","","","","","1.069","","","","has coordinates","261894","2021-02-11","17:06:32",""
"1560341","15.5753","0.0005","9.0937","0.0003","19.2775","0.0005","90","","97.856","0.003","90","","2704.78","0.14","293","2","293","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C11 H14 Dy O10 -","- C11 H14 Dy O10 -","- C88 H112 Dy8 O80 -","8","1","","Kariem, Mukaddus; Yawer, Mohd; Kumar, Manesh; Nawaz Sheikh, Haq; Sood, Puneet; Kolekar, Sanjay S.","Self-assembly of coordination polymers of Pr(III), Nd(III), Tb(III), Dy(III) and Ho(III) with 5-hydroxyisophthalic acid and adipic acid: Syntheses, structures, porosity, luminescence and magnetic properties","Journal of Solid State Chemistry","2017","255","","61","69","10.1016/j.jssc.2017.08.001","","x-ray","0.71073","MoKα","","0.0411","0.0364","","","0.0906","0.0958","","","","","","1.02","","","","has coordinates","261895","2021-02-11","17:08:25",""
"1560342","15.5804","0.0003","9.07105","0.00015","19.2388","0.0003","90","","97.85","0.0017","90","","2693.55","0.08","293","2","293","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C11 H14 Ho O10 -","- C11 H14 Ho O10 -","- C88 H112 Ho8 O80 -","8","1","","Kariem, Mukaddus; Yawer, Mohd; Kumar, Manesh; Nawaz Sheikh, Haq; Sood, Puneet; Kolekar, Sanjay S.","Self-assembly of coordination polymers of Pr(III), Nd(III), Tb(III), Dy(III) and Ho(III) with 5-hydroxyisophthalic acid and adipic acid: Syntheses, structures, porosity, luminescence and magnetic properties","Journal of Solid State Chemistry","2017","255","","61","69","10.1016/j.jssc.2017.08.001","","x-ray","0.71073","MoKα","","0.031","0.0287","","","0.0722","0.0744","","","","","","1.043","","","","has coordinates","261896","2021-02-11","17:10:28",""
"1560343","25.742","0.005","10.604","0.002","16.205","0.003","90","","112.17","0.03","90","","4096.4","1.6","296","2","296","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C28 H14 K2 N5 O29 Tb3 -","- C28 H14 K2 N5 O29 Tb3 -","- C112 H56 K8 N20 O116 Tb12 -","4","0.5","","Zhao, Shuai; Hao, Xue-Min; Liu, Jia-Lin; Wu, Lin-Wei; Wang, Hao; Wu, Yi-Bo; Yang, Dan; Guo, Wen-Li","Construction of Eu(III)- and Tb(III)-MOFs with photoluminescence for sensing small molecules based on furan-2,5-dicarboxylic acid","Journal of Solid State Chemistry","2017","255","","76","81","10.1016/j.jssc.2017.07.039","","","0.71073","MoKα","","0.0519","0.0386","","","0.0975","0.1054","","","","","","1.033","","","","has coordinates","261897","2021-02-11","17:18:38",""
"1560344","25.853","0.005","10.531","0.002","16.312","0.003","90","","112.05","0.03","90","","4116.2","1.6","293","2","293","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C28 H14 Eu3 K2 N5 O29 -","- C28 H14 Eu3 K2 N5 O29 -","- C112 H56 Eu12 K8 N20 O116 -","4","0.5","","Zhao, Shuai; Hao, Xue-Min; Liu, Jia-Lin; Wu, Lin-Wei; Wang, Hao; Wu, Yi-Bo; Yang, Dan; Guo, Wen-Li","Construction of Eu(III)- and Tb(III)-MOFs with photoluminescence for sensing small molecules based on furan-2,5-dicarboxylic acid","Journal of Solid State Chemistry","2017","255","","76","81","10.1016/j.jssc.2017.07.039","","","0.71073","MoKα","","0.1041","0.0662","","","0.0852","0.0929","","","","","","1.165","","","","has coordinates","261898","2021-02-11","17:20:24",""
"1560345","12.73","0.03","24.65","0.05","9.24","0.02","90","","90","","90","","2899","11","296","2","296","2","","","","","","","","4","P n m a","-P 2ac 2n","62","","","","- Ba6 Pb Se13 Sn3 -","- Ba6 Pb Se13 Sn3 -","- Ba24 Pb4 Se52 Sn12 -","4","0.5","","Abudurusuli, Ailijiang; Ding, Hanqin; Wu, Kui","Synthesis and characterization of two lead-containing metal chalcogenides: Ba5Pb2Sn3S13 and Ba6PbSn3Se13","Journal of Solid State Chemistry","2017","255","","133","138","10.1016/j.jssc.2017.08.019","","","0.71073","MoKα","","0.1002","0.0539","","","0.1098","0.1241","","","","","","0.977","","","","has coordinates","261899","2021-02-11","17:33:37",""
"1560346","12.208","0.005","23.499","0.01","8.838","0.004","90","","90","","90","","2535.4","1.9","296","2","296","2","","","","","","","","4","P n m a","-P 2ac 2n","62","","","","- Ba5.25 Pb1.75 S13 Sn3 -","- Ba5.242 Pb1.758 S13 Sn3 -","- Ba20.968 Pb7.032 S52 Sn12 -","4","0.5","","Abudurusuli, Ailijiang; Ding, Hanqin; Wu, Kui","Synthesis and characterization of two lead-containing metal chalcogenides: Ba5Pb2Sn3S13 and Ba6PbSn3Se13","Journal of Solid State Chemistry","2017","255","","133","138","10.1016/j.jssc.2017.08.019","","","0.71073","MoKα","","0.0512","0.0394","","","0.1032","0.1081","","","","","","1.11","","","","has coordinates","261900","2021-02-11","17:35:19",""
"1560348","9.344","0.004","5.308","0.003","13.29","0.006","90","","92.072","0.007","90","","658.7","0.6","293","2","293","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","merwinite","","","- Ca3 Mg O8 Si2 -","- Ca3 Mg O8 Si2 -","- Ca12 Mg4 O32 Si8 -","4","0.5","","Bao, Xinjian; Zhang, Yanyao; Zhang, Zhigang; Zhang, Lifei; Liu, Xiaoyang; Dong, Jianjun; Liu, Xi","A new Ca3MgSi2O8 compound and some of its thermodynamic properties","Journal of Solid State Chemistry","2017","255","","145","149","10.1016/j.jssc.2017.08.005","","","0.71073","MoKα","","0.0709","0.0527","","","0.131","0.1412","","","","","","1.035","","","","has coordinates","261912","2021-02-12","13:51:55",""
"1560349","35.8058","0.0008","14.0548","0.0003","15.4366","0.0004","90","","106.802","0.002","90","","7436.7","0.3","293","2","293","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C44 H34 N4 O7.85 Zn -","- C44 H34 N4 O7.85 Zn -","- C352 H272 N32 O62.8 Zn8 -","8","1","","Yuan, Lv-Bing; He, Yan-Ping; Xu, Hai; Zhang, Jian","Syntheses, crystal structures and fluorescent properties of three metal- tris(4′-carboxybiphenyl)amine frameworks","Journal of Solid State Chemistry","2017","255","","200","205","10.1016/j.jssc.2017.08.024","","","1.54178","CuKα","","0.117","0.1081","","","0.3592","0.377","","","","","","1.785","","","","has coordinates","261913","2021-02-12","14:00:44",""
"1560350","6.8773","0.0014","15.061","0.003","11.609","0.002","90","","96.74","0.03","90","","1194.1","0.4","298","2","298","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- Mn2 O14 Sr2 V4 -","- Mn2 O14 Sr2 V4 -","- Mn8 O56 Sr8 V16 -","4","1","","Smith Pellizzeri, Tiffany M.; McMillen, Colin D.; Pellizzeri, Steven; Wen, Yimei; Getman, Rachel B.; Chumanov, George; Kolis, Joseph W.","Strontium manganese vanadates from hydrothermal brines: Synthesis and structure of Sr2Mn2(V3O10)(VO4), Sr3Mn(V2O7)2, and Sr2Mn(VO4)2(OH)","Journal of Solid State Chemistry","2017","255","","225","233","10.1016/j.jssc.2017.07.008","","","0.71073","MoKα","","0.0529","0.0391","","","0.0828","0.0896","","","","","","1.137","","","","has coordinates","261914","2021-02-12","14:06:34",""
"1560351","6.9951","0.0002","6.9951","0.0002","25.439","0.0007","90","","90","","90","","1244.77","0.06","298","2","298","2","","","","","","","","4","P 43 21 2","P 4nw 2abw","96","","","","- Mn O14 Sr3 V4 -","- Mn O14 Sr3 V4 -","- Mn4 O56 Sr12 V16 -","4","0.5","","Smith Pellizzeri, Tiffany M.; McMillen, Colin D.; Pellizzeri, Steven; Wen, Yimei; Getman, Rachel B.; Chumanov, George; Kolis, Joseph W.","Strontium manganese vanadates from hydrothermal brines: Synthesis and structure of Sr2Mn2(V3O10)(VO4), Sr3Mn(V2O7)2, and Sr2Mn(VO4)2(OH)","Journal of Solid State Chemistry","2017","255","","225","233","10.1016/j.jssc.2017.07.008","","","0.71073","MoKα","","0.022","0.0192","","","0.0371","0.0377","","","","","","1.057","","","","has coordinates","261915","2021-02-12","14:07:41",""
"1560352","7.6316","0.0003","6.1204","0.0003","8.6893","0.0003","90","","111.394","0.001","90","","377.9","0.03","298","2","298","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- H Mn O9 Sr2 V2 -","- H Mn O9 Sr2 V2 -","- H2 Mn2 O18 Sr4 V4 -","2","1","","Smith Pellizzeri, Tiffany M.; McMillen, Colin D.; Pellizzeri, Steven; Wen, Yimei; Getman, Rachel B.; Chumanov, George; Kolis, Joseph W.","Strontium manganese vanadates from hydrothermal brines: Synthesis and structure of Sr2Mn2(V3O10)(VO4), Sr3Mn(V2O7)2, and Sr2Mn(VO4)2(OH)","Journal of Solid State Chemistry","2017","255","","225","233","10.1016/j.jssc.2017.07.008","","","0.71073","MoKα","","0.0151","0.0146","","","0.038","0.0382","","","","","","1.12","","","","has coordinates","261916","2021-02-12","14:09:09",""
"1560353","5.67715","0.00026","5.67715","","8.0495","0.0007","90","","90","","90","","259.44","0.03","","","","","","","","","","","","5","I 4/m c m","-I 4 2c","140","","","","- Li0.19 N0.23 Nb0.81 O2.77 Sr -","- Li0.191 N0.234 Nb0.809 O2.766 Sr -","- Li0.764 N0.936 Nb3.236 O11.064 Sr4 -","4","0.125","","Moon, Keon Ho; Avdeev, Maxim; Kim, Young-Il","Crystal structure and optical property of complex perovskite oxynitrides ALi 0.2 Nb 0.8 O 2.8 N 0.2 , ANa 0.2 Nb 0.8 O 2.8 N 0.2 , and AMg 0.2 Nb 0.8 O 2.6 N 0.4 (A = Sr, Ba)","Journal of Solid State Chemistry","2017","254","","1","8","10.1016/j.jssc.2017.07.006","powder diffraction","","","","","","","","","","","","","1.72","","","","","","","has coordinates","261917","2021-02-12","14:26:39",""
"1560354","5.71841","0.00028","5.71841","","8.1222","0.0007","90","","90","","90","","265.6","0.03","","","","","","","","","","","","5","I 4/m c m","-I 4 2c","140","","","","- N0.18 Na0.2 Nb0.8 O2.82 Sr -","- N0.183 Na0.196 Nb0.804 O2.817 Sr -","- N0.732 Na0.784 Nb3.216 O11.268 Sr4 -","4","0.125","","Moon, Keon Ho; Avdeev, Maxim; Kim, Young-Il","Crystal structure and optical property of complex perovskite oxynitrides ALi 0.2 Nb 0.8 O 2.8 N 0.2 , ANa 0.2 Nb 0.8 O 2.8 N 0.2 , and AMg 0.2 Nb 0.8 O 2.6 N 0.4 (A = Sr, Ba)","Journal of Solid State Chemistry","2017","254","","1","8","10.1016/j.jssc.2017.07.006","powder diffraction","","","","","","","","","","","","","1.67","","","","","","","has coordinates","261918","2021-02-12","14:28:09",""
"1560355","5.67651","0.00025","5.67651","","8.0758","0.0006","90","","90","","90","","260.22","0.02","","","","","","","","","","","","5","I 4/m c m","-I 4 2c","140","","","","- Mg0.22 N0.4 Nb0.78 O2.6 Sr -","- Mg0.216 N0.401 Nb0.784 O2.599 Sr -","- Mg0.864 N1.604 Nb3.136 O10.396 Sr4 -","4","0.125","","Moon, Keon Ho; Avdeev, Maxim; Kim, Young-Il","Crystal structure and optical property of complex perovskite oxynitrides ALi 0.2 Nb 0.8 O 2.8 N 0.2 , ANa 0.2 Nb 0.8 O 2.8 N 0.2 , and AMg 0.2 Nb 0.8 O 2.6 N 0.4 (A = Sr, Ba)","Journal of Solid State Chemistry","2017","254","","1","8","10.1016/j.jssc.2017.07.006","powder diffraction","","","","","","","","","","","","","1.44","","","","","","","has coordinates","261919","2021-02-12","14:30:16",""
"1560356","4.115489","0.000035","4.115489","","4.115489","","90","","90","","90","","69.7051","0.0006","","","","","","","","","","","","5","P m -3 m","-P 4 2 3","221","","","","- Ba Li0.19 N0.2 Nb0.81 O2.8 -","- Ba Li0.188 N0.198 Nb0.812 O2.802 -","- Ba Li0.188 N0.198 Nb0.812 O2.802 -","1","0.0208333","","Moon, Keon Ho; Avdeev, Maxim; Kim, Young-Il","Crystal structure and optical property of complex perovskite oxynitrides ALi 0.2 Nb 0.8 O 2.8 N 0.2 , ANa 0.2 Nb 0.8 O 2.8 N 0.2 , and AMg 0.2 Nb 0.8 O 2.6 N 0.4 (A = Sr, Ba)","Journal of Solid State Chemistry","2017","254","","1","8","10.1016/j.jssc.2017.07.006","powder diffraction","","","","","","","","","","","","","1.68","","","","","","","has coordinates","261920","2021-02-12","14:31:25",""
"1560357","4.14577","0.00007","4.14577","","4.14577","","90","","90","","90","","71.255","0.0012","","","","","","","","","","","","5","P m -3 m","-P 4 2 3","221","","","","- Ba N0.25 Na0.21 Nb0.79 O2.75 -","- Ba N0.246 Na0.209 Nb0.791 O2.754 -","- Ba N0.246 Na0.209 Nb0.791 O2.754 -","1","0.0208333","","Moon, Keon Ho; Avdeev, Maxim; Kim, Young-Il","Crystal structure and optical property of complex perovskite oxynitrides ALi 0.2 Nb 0.8 O 2.8 N 0.2 , ANa 0.2 Nb 0.8 O 2.8 N 0.2 , and AMg 0.2 Nb 0.8 O 2.6 N 0.4 (A = Sr, Ba)","Journal of Solid State Chemistry","2017","254","","1","8","10.1016/j.jssc.2017.07.006","powder diffraction","","","","","","","","","","","","","1.57","","","","","","","has coordinates","261921","2021-02-12","14:32:36",""
"1560358","4.11972","0.00004","4.11972","","4.11972","","90","","90","","90","","69.9203","0.0007","","","","","","","","","","","","5","P m -3 m","-P 4 2 3","221","","","","- Ba Mg0.19 N0.47 Nb0.81 O2.53 -","- Ba Mg0.192 N0.471 Nb0.808 O2.529 -","- Ba Mg0.192 N0.471 Nb0.808 O2.529 -","1","0.0208333","","Moon, Keon Ho; Avdeev, Maxim; Kim, Young-Il","Crystal structure and optical property of complex perovskite oxynitrides ALi 0.2 Nb 0.8 O 2.8 N 0.2 , ANa 0.2 Nb 0.8 O 2.8 N 0.2 , and AMg 0.2 Nb 0.8 O 2.6 N 0.4 (A = Sr, Ba)","Journal of Solid State Chemistry","2017","254","","1","8","10.1016/j.jssc.2017.07.006","powder diffraction","","","","","","","","","","","","","1.37","","","","","","","has coordinates","261922","2021-02-12","14:33:40",""
"1560359","14.4985","0.0005","12.2421","0.0004","23.766","0.0005","90","","90","","90","","4218.3","0.2","173","0.1","173","0.1","","","","","","","","6","P c c a","-P 2a 2ac","54","","","","- C18 H17 Cl2 Mn N3 O6 -","- C18 H17 Cl2 Mn N3 O6 -","- C144 H136 Cl16 Mn8 N24 O48 -","8","1","","Ming, Mei; Bai, Na","A rare 3D chloro-laced Mn(II) metal-organic framework to show sensitive probing effect to Hg 2+","Journal of Solid State Chemistry","2017","254","","9","13","10.1016/j.jssc.2017.07.003","","x-ray","1.54184","CuKα","","0.1124","0.0847","","","0.2238","0.2486","","","","","","1.08","","","","has coordinates,has disorder","261923","2021-02-12","14:42:02",""
"1560360","20.267","0.002","13.5379","0.0012","7.4103","0.0007","90","","90","","90","","2033.2","0.3","173","0.1","173","0.1","","","","","","","","5","P c c a","-P 2a 2ac","54","","","","- C20 H21 Mn N3 O5 -","- C20 H21 Mn N3 O5 -","- C80 H84 Mn4 N12 O20 -","4","0.5","","Ming, Mei; Bai, Na","A rare 3D chloro-laced Mn(II) metal-organic framework to show sensitive probing effect to Hg 2+","Journal of Solid State Chemistry","2017","254","","9","13","10.1016/j.jssc.2017.07.003","","x-ray","1.54184","CuKα","","0.115","0.0935","","","0.2353","0.2548","","","","","","1.066","","","","has coordinates,has disorder","261923","2021-02-12","14:42:02",""
"1560361","14.698","0.003","7.051","0.002","10.823","0.002","90","0.03","95.04","0.03","90","0.03","1117.3","0.4","100","2","100","2","","","","","","","","6","C 1 2/m 1","-C 2y","12","","","","- C14 H22 Co N2 O18 U -","- C14 H22 Co N2 O18 U -","- C28 H44 Co2 N4 O36 U2 -","2","0.25","","Jayasinghe, Ashini S.; Payne, Maurice K.; Forbes, Tori Z.","Synthesis and characterization of heterometallic uranyl pyridinedicarboxylate compounds","Journal of Solid State Chemistry","2017","254","","25","31","10.1016/j.jssc.2017.07.002","","","0.71073","MoKα","","0.0303","0.0264","","","0.0518","0.053","","","","","","1.09","","","","has coordinates,has disorder","261924","2021-02-12","14:49:50",""
"1560362","14.785","0.005","6.982","0.002","10.879","0.003","90","","96.501","0.015","90","","1115.8","0.6","100","2","100","2","","","","","","","","6","C 1 2/m 1","-C 2y","12","","","","- C14 H14 Cu N2 O18 U -","- C14 H14 Cu N2 O18 U -","- C28 H28 Cu2 N4 O36 U2 -","2","0.25","","Jayasinghe, Ashini S.; Payne, Maurice K.; Forbes, Tori Z.","Synthesis and characterization of heterometallic uranyl pyridinedicarboxylate compounds","Journal of Solid State Chemistry","2017","254","","25","31","10.1016/j.jssc.2017.07.002","","","0.71073","MoKα","","0.0549","0.0477","","","0.1149","0.1184","","","","","","1.035","","","","has coordinates,has disorder","261924","2021-02-12","14:50:02",""
"1560363","14.678","0.005","7.0489","0.0019","10.906","0.003","90","","94.647","0.013","90","","1124.7","0.6","100","2","100","2","","","","","","","","6","C 1 2/m 1","-C 2y","12","","","","- C14 H14 Fe N2 O18 U -","- C14 H14 Fe N2 O18 U -","- C28 H28 Fe2 N4 O36 U2 -","2","0.25","","Jayasinghe, Ashini S.; Payne, Maurice K.; Forbes, Tori Z.","Synthesis and characterization of heterometallic uranyl pyridinedicarboxylate compounds","Journal of Solid State Chemistry","2017","254","","25","31","10.1016/j.jssc.2017.07.002","","","0.71073","MoKα","","0.0441","0.0376","","","0.0949","0.1022","","","","","","1.136","","","","has coordinates,has disorder","261924","2021-02-12","14:50:02",""
"1560364","14.711","0.004","7.0599","0.0017","10.773","0.003","90","","94.95","0.014","90","","1114.7","0.5","100","2","100","2","","","","","","","","6","C 1 2/m 1","-C 2y","12","","","","- C14 H14 N2 Ni O18 U -","- C14 H14 N2 Ni O18 U -","- C28 H28 N4 Ni2 O36 U2 -","2","0.25","","Jayasinghe, Ashini S.; Payne, Maurice K.; Forbes, Tori Z.","Synthesis and characterization of heterometallic uranyl pyridinedicarboxylate compounds","Journal of Solid State Chemistry","2017","254","","25","31","10.1016/j.jssc.2017.07.002","","","0.71073","MoKα","","0.0318","0.0309","","","0.0797","0.0803","","","","","","1.112","","","","has coordinates,has disorder","261924","2021-02-12","14:50:02",""
"1560365","14.751","0.017","7.149","0.007","10.905","0.01","90","","94.82","0.06","90","","1146","2","100","2","100","2","","","","","","","","6","C 1 2/m 1","-C 2y","12","","","","- C14 H14 N2 O18 U Zn -","- C14 H14 N2 O18 U Zn -","- C28 H28 N4 O36 U2 Zn2 -","2","0.25","","Jayasinghe, Ashini S.; Payne, Maurice K.; Forbes, Tori Z.","Synthesis and characterization of heterometallic uranyl pyridinedicarboxylate compounds","Journal of Solid State Chemistry","2017","254","","25","31","10.1016/j.jssc.2017.07.002","","","0.71073","MoKα","","0.0849","0.0494","","","0.0995","0.1149","","","","","","1.055","","","","has coordinates,has disorder","261924","2021-02-12","14:50:02",""
"1560375","8.6968","0.0006","19.9327","0.0013","12.2232","0.0008","90","","98.958","0.002","90","","2093.1","0.2","100","2","100","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C24 H21 O4 Sb -","- C24 H21 O4 Sb -","- C96 H84 O16 Sb4 -","4","1","","Fukin, Georgy K.; Samsonov, Maxim A.; Arapova, Alla V.; Mazur, Anton S.; Artamonova, Tatiana O.; Khodorkovskiy, Mikhail A.; Vasilyev, Aleksander V.","Experimental and theoretical distribution of electron density and thermopolimerization in crystals of Ph 3 Sb(O 2 CCH=CH 2 ) 2 complex","Journal of Solid State Chemistry","2017","254","","32","39","10.1016/j.jssc.2017.06.030","","","0.71073","MoKα","","0.0388","0.0388","","","0.0328","0.0331","","","","","","0.997","","","","has coordinates","261956","2021-02-15","09:37:39",""
"1560376","10.0301","0.0005","10.0301","0.0005","10.0301","0.0005","90","","90","","90","","1009.06","0.09","100","2","100","2","","","","","","","","3","F d -3 m :2","-F 4vw 2vw 3","227","","","","- Ca F0.6147 N0.4619 -","- Ca F0.612932 N0.462345 -","- Ca32 F19.6138 N14.795 -","32","0.166667","","Al-Azzawi, Mohanad; Zeller, Matthias; Li, Dingqiang; Wagner, Timothy R.","Crystal chemistry of ordered rocksalt-type Ca 2 NF","Journal of Solid State Chemistry","2017","254","","126","131","10.1016/j.jssc.2017.07.017","","","0.71073","MoKα","","0.0294","0.0293","","","0.0675","0.0675","","","","","","1.347","","","","has coordinates","261957","2021-02-15","10:00:26",""
"1560377","15.2153","0.0005","9.4589","0.0003","8.9097","0.0003","90","","108.058","0.0009","90","","1219.12","0.07","298","2","298","2","","","","","","","","7","C 1 2 1","C 2y","5","","","","- C6 H28 Cl Ga3 N6 O16 P4 -","- C6 H28 Cl Ga3 N6 O16 P4 -","- C12 H56 Cl2 Ga6 N12 O32 P8 -","2","0.5","","Gao, Fan; Huang, Liangliang; Ma, Yike; Jiao, Shufei; Jiang, Yansong; Bi, Yanfeng","Ionothermal synthesis, characterization of a new layered gallium phosphate with an unusual heptamer SBU","Journal of Solid State Chemistry","2017","254","","155","159","10.1016/j.jssc.2017.07.010","","","0.71073","MoKα","","0.0461","0.0336","","","0.051","0.0531","","","","","","1.062","","","","has coordinates","261958","2021-02-15","10:05:01",""
"1560378","19.618","0.004","7.3868","0.0015","7.4564","0.0015","90","","102.561","0.009","90","","1054.7","0.4","203","2","203","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- F3.24 H2.76 K Ni3 O10.76 P3 -","- F3.24 H2.76 K Ni3 O10.76 P3 -","- F12.96 H11.04 K4 Ni12 O43.04 P12 -","4","0.5","","Liu, Li-Chen; Ren, Wei-Jian; Huang, Ya-Xi; Pan, Yuanming; Mi, Jin-Xiao","Canted antiferromagnetism in KNi 3 [PO 3 (F,OH)] 2 [PO 2 (OH) 2 ]F 2 with a stair-case Kagomé lattice","Journal of Solid State Chemistry","2017","254","","160","165","10.1016/j.jssc.2017.07.011","","","0.71073","MoKα","","0.0437","0.0388","","","0.0934","0.0972","","","","","","1.002","","","","has coordinates","261959","2021-02-15","10:10:22",""
"1560379","10.036","0.0006","10.036","0.0006","78.286","0.004","90","","90","","120","","6828.7","0.7","296","2","296","2","","","","","","","","3","R -3 :H","-R 3","148","barium indium selenide (12/4/20)","barium indium selenide (12/4/20)","","- Ba12 In4 Se20 -","- Ba12 In4 Se20 -","- Ba72 In24 Se120 -","6","0.333333","","Yin, Wenlong; Iyer, Abishek K.; Li, Chao; Yao, Jiyong; Mar, Arthur","When one becomes two: Ba12In4Se20, not quite isostructural to Ba12In4S19","Journal of Solid State Chemistry","2017","253","","29","34","10.1016/j.jssc.2017.05.016","","","0.71073","MoKα","","0.0937","0.0485","","","0.1036","0.1254","","","","","","1.054","","","","has coordinates","261961","2021-02-15","10:17:30",""
"1560380","10.0108","0.0008","10.0108","0.0008","78.184","0.007","90","","90","","120","","6785.6","1","193","2","193","2","","","","","","","","3","R -3 :H","-R 3","148","barium indium selenide (12/4/20)","barium indium selenide (12/4/20)","","- Ba12 In4 Se20 -","- Ba12 In4 Se20 -","- Ba72 In24 Se120 -","6","0.333333","","Yin, Wenlong; Iyer, Abishek K.; Li, Chao; Yao, Jiyong; Mar, Arthur","When one becomes two: Ba12In4Se20, not quite isostructural to Ba12In4S19","Journal of Solid State Chemistry","2017","253","","29","34","10.1016/j.jssc.2017.05.016","","","0.71073","MoKα","","0.0646","0.0402","","","0.0864","0.0971","","","","","","1.075","","","","has coordinates","261963","2021-02-15","10:19:11",""
"1560381","18.7074","0.0011","9.1703","0.0005","28.5497","0.0016","90","","94.276","0.003","90","","4884.1","0.5","293","2","293","2","","","","","","","","5","P 1 2/c 1","-P 2yc","13","","","","- C46 H37 Cd3 N10 O20 -","- C46 H31 Cd3 N10 O20 -","- C184 H124 Cd12 N40 O80 -","4","1","","Shi, Chenjie; Wang, Zikai; Chen, Yifan; Zhang, Xiaoyu; Zhao, Yue; Tao, Yuehong; Wu, Hua","Structural diversity of four coordination polymers based on 5-nitro-1,2,3-benzenetricarboxylic acid (H3nbta): Solvothermal syntheses, structural characterizations and properties","Journal of Solid State Chemistry","2017","253","","35","42","10.1016/j.jssc.2017.05.010","","","0.71073","MoKα","","0.0401","0.0303","","","0.0708","0.0747","","","","","","1.018","","","","has coordinates","261965","2021-02-15","10:24:32",""
"1560382","10.2521","0.0005","16.2799","0.0008","16.2848","0.0009","75.979","0.004","77.781","0.004","75.97","0.004","2524.4","0.2","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C48 H46 N14 O16 Zn3 -","- C48 H46 N14 O16 Zn3 -","- C96 H92 N28 O32 Zn6 -","2","1","","Shi, Chenjie; Wang, Zikai; Chen, Yifan; Zhang, Xiaoyu; Zhao, Yue; Tao, Yuehong; Wu, Hua","Structural diversity of four coordination polymers based on 5-nitro-1,2,3-benzenetricarboxylic acid (H3nbta): Solvothermal syntheses, structural characterizations and properties","Journal of Solid State Chemistry","2017","253","","35","42","10.1016/j.jssc.2017.05.010","","","0.71073","MoKα","","0.101","0.0596","","","0.1136","0.1405","","","","","","1.043","","","","has coordinates","261965","2021-02-15","10:24:33",""
"1560383","16.028","0.003","20.202","0.004","21.17","0.004","78.07","0.03","74.54","0.03","76.76","0.03","6353","2","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C106 H128 N34 O32 Zn6 -","- C106 H114 N34 O32 Zn6 -","- C212 H228 N68 O64 Zn12 -","2","1","","Shi, Chenjie; Wang, Zikai; Chen, Yifan; Zhang, Xiaoyu; Zhao, Yue; Tao, Yuehong; Wu, Hua","Structural diversity of four coordination polymers based on 5-nitro-1,2,3-benzenetricarboxylic acid (H3nbta): Solvothermal syntheses, structural characterizations and properties","Journal of Solid State Chemistry","2017","253","","35","42","10.1016/j.jssc.2017.05.010","","","0.71073","MoKα","","0.1064","0.0546","","","0.1413","0.1678","","","","","","1.036","","","","has coordinates","261965","2021-02-15","10:24:33",""
"1560384","16.7678","0.0013","7.4121","0.0006","19.7303","0.0015","90","","101.24","0.001","90","","2405.1","0.3","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C34 H54 Co3 N6 O28 -","- C34 H54 Co3 N6 O28 -","- C68 H108 Co6 N12 O56 -","2","0.5","","Shi, Chenjie; Wang, Zikai; Chen, Yifan; Zhang, Xiaoyu; Zhao, Yue; Tao, Yuehong; Wu, Hua","Structural diversity of four coordination polymers based on 5-nitro-1,2,3-benzenetricarboxylic acid (H3nbta): Solvothermal syntheses, structural characterizations and properties","Journal of Solid State Chemistry","2017","253","","35","42","10.1016/j.jssc.2017.05.010","","","0.71073","MoKα","","0.0465","0.0356","","","0.1019","0.1127","","","","","","1.093","","","","has coordinates","261965","2021-02-15","10:24:33",""
"1560385","30.306","0.003","7.0701","0.0006","16.1304","0.0015","90","","106.564","0.01","90","","3312.8","0.6","293","2","293","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C20 H15 N3 O2 -","- C20 H15 N3 O2 -","- C160 H120 N24 O16 -","8","1","","Rai, U.S.; Singh, Manjeet; Rai, R.N.","Solid state synthesis, structural, physicochemical and optical properties of an inter-molecular compound: 2-hydroxy-1, 2-diphenylethanone-4-nitro-o-phenylenediamine system","Journal of Solid State Chemistry","2017","253","","63","72","10.1016/j.jssc.2017.05.030","","","0.71073","MoKα","","0.1074","0.0638","","","0.1521","0.1796","","","","","","0.988","","","","has coordinates","261966","2021-02-15","10:29:42",""
"1560387","12.243","0.002","15.603","0.003","16.475","0.003","90","","90.73","0.03","90","","3146.9","1","293","2","293","2","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C30 H17 Cu F12 N3 O4 S -","- C30 H17 Cu F12 N3 O4 S -","- C120 H68 Cu4 F48 N12 O16 S4 -","4","1","","Toledo, Dominique; Vega, Andrés; Pizarro, Nancy; Baggio, Ricardo; Peña, Octavio; Roisnel, Thierry; Pivan, Jean-Yves; Moreno, Yanko","Comparitive study on structural, magnetic and spectroscopic properties of four new copper(II) coordination polymers with 4′-substituted terpyridine ligands","Journal of Solid State Chemistry","2017","253","","78","88","10.1016/j.jssc.2017.05.017","","","0.71073","MoKα","","0.154","0.0771","","","0.2072","0.2523","","","","","","1.045","","","","has coordinates,has disorder","261968","2021-02-15","11:05:21",""
"1560388","11.286","0.002","24.821","0.005","15.438","0.003","90","","108.61","0.003","90","","4098.5","1.4","296","2","296","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C35 H19 Cl3 Cu F12 N4 O4 -","- C34.708 H18.708 Cl2.124 Cu F12 N4 O4 -","- C138.832 H74.832 Cl8.496 Cu4 F48 N16 O16 -","4","1","","Toledo, Dominique; Vega, Andrés; Pizarro, Nancy; Baggio, Ricardo; Peña, Octavio; Roisnel, Thierry; Pivan, Jean-Yves; Moreno, Yanko","Comparitive study on structural, magnetic and spectroscopic properties of four new copper(II) coordination polymers with 4′-substituted terpyridine ligands","Journal of Solid State Chemistry","2017","253","","78","88","10.1016/j.jssc.2017.05.017","","","0.71073","MoKα","","0.0988","0.0688","","","0.1735","0.1889","","","","","","1.139","","","","has coordinates,has disorder","261969","2021-02-15","11:06:50",""
"1560389","15.2176","0.0005","18.6531","0.0005","26.4674","0.0007","90","","90","","90","","7512.9","0.4","150","2","150","2","","","","","","","synthesis as described","7","P b c a","-P 2ac 2ab","61","","","","- C35 H19 Cl3 Cu F12 N4 O4 -","- C35 H19 Cl3 Cu F12 N4 O4 -","- C280 H152 Cl24 Cu8 F96 N32 O32 -","8","1","","Toledo, Dominique; Vega, Andrés; Pizarro, Nancy; Baggio, Ricardo; Peña, Octavio; Roisnel, Thierry; Pivan, Jean-Yves; Moreno, Yanko","Comparitive study on structural, magnetic and spectroscopic properties of four new copper(II) coordination polymers with 4′-substituted terpyridine ligands","Journal of Solid State Chemistry","2017","253","","78","88","10.1016/j.jssc.2017.05.017","","x-ray","0.71073","MoKα","","0.0797","0.0615","","","0.1558","0.1736","","","","","","1.03","","","","has coordinates","261970","2021-02-15","11:08:14",""
"1560390","21.4216","0.0011","13.9805","0.0008","25.0391","0.0013","90","","115.666","0.002","90","","6758.9","0.6","150","2","150","2","","","","","","","synthesis as described","6","C 1 2/c 1","-C 2yc","15","","","","- C32 H16 Cu F12 N4 O4 -","- C32 H16 Cu F12 N4 O4 -","- C256 H128 Cu8 F96 N32 O32 -","8","1","","Toledo, Dominique; Vega, Andrés; Pizarro, Nancy; Baggio, Ricardo; Peña, Octavio; Roisnel, Thierry; Pivan, Jean-Yves; Moreno, Yanko","Comparitive study on structural, magnetic and spectroscopic properties of four new copper(II) coordination polymers with 4′-substituted terpyridine ligands","Journal of Solid State Chemistry","2017","253","","78","88","10.1016/j.jssc.2017.05.017","","x-ray","0.71073","MoKα","","0.1141","0.0642","","","0.176","0.2005","","","","","","0.992","","","","has coordinates","279031","2022-11-07","10:58:29",""
"1560391","12.7387","0.0003","13.6716","0.0004","7.1904","0.0002","90","","112.404","0.001","90","","1157.75","0.05","293","2","293","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- Mn1.43 Mo3 Na3.13 O12 -","- Mn1.4344 Mo3 Na3.126 O12 -","- Mn5.7376 Mo12 Na12.504 O48 -","4","0.5","","Solodovnikov, Sergey F.; Solodovnikova, Zoya A.; Zolotova, Evgeniya S.; Yudin, Vasiliy N.; Gulyaeva, Oksana A.; Tushinova, Yunna L.; Kuchumov, Boris M.","Nonstoichiometry in the systems Na2MoO4‒MMoO4 (M = Co, Cd), crystal structures of Na3.36Co1.32(MoO4)3, Na3.13Mn1.43(MoO4)3 and Na3.72Cd1.14(MoO4)3, crystal chemistry, compositions and ionic conductivity of alluaudite-type double molybdates and tungstates","Journal of Solid State Chemistry","2017","253","","121","128","10.1016/j.jssc.2017.05.031","","","0.71073","MoKα","","0.0177","0.0166","","","0.0404","0.0408","","","","","","1.139","","","","has coordinates","261972","2021-02-15","12:56:23",""
"1560392","12.6381","0.0003","13.4888","0.0004","7.1244","0.0002","90","","112.127","0.001","90","","1125.07","0.05","296","2","296","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- Co1.32 Mo3 Na3.36 O12 -","- Co1.3194 Mo3 Na3.361 O12 -","- Co5.2776 Mo12 Na13.444 O48 -","4","0.5","","Solodovnikov, Sergey F.; Solodovnikova, Zoya A.; Zolotova, Evgeniya S.; Yudin, Vasiliy N.; Gulyaeva, Oksana A.; Tushinova, Yunna L.; Kuchumov, Boris M.","Nonstoichiometry in the systems Na2MoO4‒MMoO4 (M = Co, Cd), crystal structures of Na3.36Co1.32(MoO4)3, Na3.13Mn1.43(MoO4)3 and Na3.72Cd1.14(MoO4)3, crystal chemistry, compositions and ionic conductivity of alluaudite-type double molybdates and tungstates","Journal of Solid State Chemistry","2017","253","","121","128","10.1016/j.jssc.2017.05.031","","","0.71073","MoKα","","0.0265","0.0207","","","0.0458","0.0474","","","","","","1.065","","","","has coordinates","261972","2021-02-15","12:56:34",""
"1560393","12.804","0.003","13.913","0.003","7.3258","0.0015","90","","112.63","0.03","90","","1204.6","0.5","293","2","293","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- Cd1.14 Mo3 Na3.72 O12 -","- Cd1.138 Mo3 Na3.724 O12 -","- Cd4.552 Mo12 Na14.896 O48 -","4","0.5","","Solodovnikov, Sergey F.; Solodovnikova, Zoya A.; Zolotova, Evgeniya S.; Yudin, Vasiliy N.; Gulyaeva, Oksana A.; Tushinova, Yunna L.; Kuchumov, Boris M.","Nonstoichiometry in the systems Na2MoO4‒MMoO4 (M = Co, Cd), crystal structures of Na3.36Co1.32(MoO4)3, Na3.13Mn1.43(MoO4)3 and Na3.72Cd1.14(MoO4)3, crystal chemistry, compositions and ionic conductivity of alluaudite-type double molybdates and tungstates","Journal of Solid State Chemistry","2017","253","","121","128","10.1016/j.jssc.2017.05.031","","","0.71073","MoKα","","0.0176","0.0158","","","0.0412","0.042","","","","","","1.091","","","","has coordinates","261972","2021-02-15","12:56:34",""
"1560394","24.429","0.005","17.322","0.005","13.69","0.005","90","0.005","119.589","0.005","90","0.005","5038","3","293","2","293","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C28 H22 Cu N0 O10 Si -","- C28 H22 Cu O10 Si -","- C224 H176 Cu8 O80 Si8 -","8","1","","Guo, Tiantian; Yang, Xiaowei; Li, Ruyan; Liu, Xiaoyu; Gao, Yanling; Dai, Zhihui; Fang, Min; Liu, Hong-Ke; Wu, Yong","Syntheses, structures and photoelectrochemical properties of three water-stable, visible light absorbing mental-organic frameworks based on tetrakis(4-carboxyphenyl)silane and 1,4-bis(pyridyl)benzene mixed ligands","Journal of Solid State Chemistry","2017","253","","129","138","10.1016/j.jssc.2017.05.011","","","0.71069","MoKα","","0.0801","0.0476","","","0.1167","0.1271","","","","","","1.079","","","","has coordinates","261973","2021-02-15","13:03:31",""
"1560395","20.4302","0.0017","16.3801","0.0014","12.917","0.0011","90","","115.202","0.002","90","","3911.2","0.6","298","2","298","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C44 H30 Co N2 O8 Si -","- C44 H30 Co N2 O8 Si -","- C176 H120 Co4 N8 O32 Si4 -","4","0.5","","Guo, Tiantian; Yang, Xiaowei; Li, Ruyan; Liu, Xiaoyu; Gao, Yanling; Dai, Zhihui; Fang, Min; Liu, Hong-Ke; Wu, Yong","Syntheses, structures and photoelectrochemical properties of three water-stable, visible light absorbing mental-organic frameworks based on tetrakis(4-carboxyphenyl)silane and 1,4-bis(pyridyl)benzene mixed ligands","Journal of Solid State Chemistry","2017","253","","129","138","10.1016/j.jssc.2017.05.011","","","0.71073","MoKα","","0.2098","0.0914","","","0.1789","0.2085","","","","","","1.017","","","","has coordinates","261973","2021-02-15","13:03:32",""
"1560396","20.6289","0.0018","16.4621","0.0014","13.007","0.0012","90","","115.044","0.002","90","","4001.8","0.6","298","2","298","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C44 H30 N2 Ni O8 Si -","- C44 H30 N2 Ni O8 Si -","- C176 H120 N8 Ni4 O32 Si4 -","4","0.5","","Guo, Tiantian; Yang, Xiaowei; Li, Ruyan; Liu, Xiaoyu; Gao, Yanling; Dai, Zhihui; Fang, Min; Liu, Hong-Ke; Wu, Yong","Syntheses, structures and photoelectrochemical properties of three water-stable, visible light absorbing mental-organic frameworks based on tetrakis(4-carboxyphenyl)silane and 1,4-bis(pyridyl)benzene mixed ligands","Journal of Solid State Chemistry","2017","253","","129","138","10.1016/j.jssc.2017.05.011","","","0.71073","MoKα","","0.0776","0.0452","","","0.1112","0.1351","","","","","","1.061","","","","has coordinates","261973","2021-02-15","13:03:32",""
"1560397","7.5213","0.0004","10.3018","0.0006","11.4847","0.0006","111.167","0.002","92.775","0.002","111.021","0.002","758.25","0.07","150","2","150","2","","","","","","","","4","P -1","-P 1","2","","","","- C15 H5 Eu2 O13 -","- C15 H5 Eu2 O13 -","- C30 H10 Eu4 O26 -","2","1","","Lahoud, Marcelo G.; Frem, Regina C.G.; Marques, Lippy F.; Arroyos, Guilherme; Brandão, Paula; Ferreira, Rute A.S.; Carlos, Luís D.","A novel near monochromatic red emissive europium(III) metal-organic framework based on 1,2,4,5-benzenetetracarboxylate: From synthesis to photoluminescence studies","Journal of Solid State Chemistry","2017","253","","176","183","10.1016/j.jssc.2017.05.041","","","0.71073","MoKα","","0.0249","0.0188","","","0.0376","0.0392","","","","","","1.085","","","","has coordinates","261974","2021-02-15","13:09:19",""
"1560399","10.058","0.006","13.489","0.008","10.085","0.006","90","","100.84","0.007","90","","1343.8","1.4","170","2","170","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- Cu4 S4 Sn -","- Cu4 S4 Sn -","- Cu32 S32 Sn8 -","8","2","","Choudhury, Amitava; Mohapatra, Sudip; Yaghoobnejad Asl, Hooman; Lee, Seng Huat; Hor, Yew San; Medvedeva, Julia E.; McClane, Devon L.; Hilmas, Gregory E.; McGuire, Michael A.; May, Andrew F.; Wang, Hsin; Dash, Shreeram; Welton, Aaron; Boolchand, Punit; Devlin, Kasey P.; Aitken, Jennifer; Herbst-Irmer, Regine; Petříček, Váčlav","New insights into the structure, chemistry, and properties of Cu4SnS4","Journal of Solid State Chemistry","2017","253","","192","201","10.1016/j.jssc.2017.05.033","","","0.71073","MoKα","","0.1149","0.0672","","","0.1277","0.1461","","","","","","0.967","","","","has coordinates","261995","2021-02-16","08:12:25",""
"1560400","13.5667","0.0018","7.6891","0.001","6.4169","0.0009","90","","90","","90","","669.38","0.16","296","2","296","2","","","","","","","","3","P n m a","-P 2ac 2n","62","","","","- Cu4 S4 Sn -","- Cu3.999 S4 Sn -","- Cu15.996 S16 Sn4 -","4","0.5","","Choudhury, Amitava; Mohapatra, Sudip; Yaghoobnejad Asl, Hooman; Lee, Seng Huat; Hor, Yew San; Medvedeva, Julia E.; McClane, Devon L.; Hilmas, Gregory E.; McGuire, Michael A.; May, Andrew F.; Wang, Hsin; Dash, Shreeram; Welton, Aaron; Boolchand, Punit; Devlin, Kasey P.; Aitken, Jennifer; Herbst-Irmer, Regine; Petříček, Váčlav","New insights into the structure, chemistry, and properties of Cu4SnS4","Journal of Solid State Chemistry","2017","253","","192","201","10.1016/j.jssc.2017.05.033","","","0.71073","MoKα","","0.0346","0.0319","","","0.0753","0.0768","","","","","","1.081","","","","has coordinates,has disorder","261995","2021-02-16","08:12:26",""
"1560401","11.3138","0.0008","23.4095","0.0016","23.5744","0.0015","90","","111.551","0.004","90","","5807.2","0.7","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C38 H64.25 Eu5 N14.75 O33 -","- C33 H50.5 Eu5 N13.5 O30.5 -","- C132 H202 Eu20 N54 O122 -","4","1","","Liu, Feng; Gao, Wei; Li, Peng; Zhang, Xiu-Mei; Liu, Jie-Ping","Lanthanide metal-organic frameworks as multifunctional luminescent sensor for detecting cations, anions and organic solvent molecules in aqueous solution","Journal of Solid State Chemistry","2017","253","","202","210","10.1016/j.jssc.2017.05.040","","","0.71073","MoKα","","0.0391","0.035","","","0.0822","0.0839","","","","","","1.123","","","","has coordinates,has disorder","261996","2021-02-16","08:19:21",""
"1560402","9.0781","0.0018","9.7454","0.0019","20.353","0.006","90","","115.32","0.03","90","","1627.6","0.8","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C15 H13 Ag N3 O6 -","- C15 H13 Ag N3 O6 -","- C60 H52 Ag4 N12 O24 -","4","1","","Yang, Yuan-Yuan; Zhou, Lin-Xia; Zheng, Yue-Qing; Zhu, Hong-Lin; Li, Wen-Ying","Hydrothermal synthesis, photoluminescence and photocatalytic properties of two silver(I) complexes","Journal of Solid State Chemistry","2017","253","","211","218","10.1016/j.jssc.2017.05.009","","","0.71073","MoKα","","0.0877","0.0794","","","0.1752","0.1789","","","","","","1.25","","","","has coordinates","261997","2021-02-16","08:25:00",""
"1560403","8.2988","0.0017","8.805","0.0018","10.563","0.002","81.13","0.03","75.08","0.03","89.98","0.03","736.3","0.3","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C24 H24 Ag2 N10 O12 -","- C24 H24 Ag2 N10 O12 -","- C24 H24 Ag2 N10 O12 -","1","0.5","","Yang, Yuan-Yuan; Zhou, Lin-Xia; Zheng, Yue-Qing; Zhu, Hong-Lin; Li, Wen-Ying","Hydrothermal synthesis, photoluminescence and photocatalytic properties of two silver(I) complexes","Journal of Solid State Chemistry","2017","253","","211","218","10.1016/j.jssc.2017.05.009","","","0.71073","MoKα","","0.0464","0.0326","","","0.0911","0.1306","","","","","","1.163","","","","has coordinates","261997","2021-02-16","08:25:00",""
"1560404","10.3711","0.0006","20.6312","0.0012","13.0143","0.0007","90","","111.382","0.001","90","","2593","0.3","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C30 H24 N2 O6 Zn -","- C30 H24 N2 O6 Zn -","- C120 H96 N8 O24 Zn4 -","4","1","","Zhang, Xiaoxing; Tan, Jipeng; Xu, Xinxin; Shi, Fanian; Li, Guanglu; Yang, Yiqiao","A coordination polymer based magnetic adsorbent material for hemoglobin isolation from human whole blood, highly selective and recoverable","Journal of Solid State Chemistry","2017","253","","219","226","10.1016/j.jssc.2017.05.020","","","0.71073","MoKα","","0.0469","0.0415","","","0.1333","0.1392","","","","","","1.142","","","","has coordinates","261998","2021-02-16","08:29:35",""
"1560405","9.5816","0.0005","11.9929","0.0007","16.8649","0.0009","90","","99.917","0.002","90","","1909.01","0.18","298","2","298","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C12 H18 N4 Ni O12 S -","- C12 H18 N4 Ni O12 S -","- C48 H72 N16 Ni4 O48 S4 -","4","0.5","","Deng, Ji-Hua; Wen, Ya-Qiong; Luo, Xu-Zhong; Zhong, Di-Chang","Anion-dependent formation of four coordination polymers based on N,N′-di(3-pyridine) oxamide (DPOM): Crystal structures and luminescence","Journal of Solid State Chemistry","2017","253","","231","237","10.1016/j.jssc.2017.06.001","","","0.71073","MoKα","","0.0714","0.0536","","","0.1343","0.1524","","","","","","1.09","","","","has coordinates","279031","2022-11-07","10:58:29",""
"1560406","12.624","0.004","13.183","0.006","15.184","0.006","90","","120.778","0.019","90","","2171","1.5","296","2","296","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C36 H30 Cd2 N16 O18 -","- C36 H30 Cd2 N16 O18 -","- C72 H60 Cd4 N32 O36 -","2","0.5","","Deng, Ji-Hua; Wen, Ya-Qiong; Luo, Xu-Zhong; Zhong, Di-Chang","Anion-dependent formation of four coordination polymers based on N,N′-di(3-pyridine) oxamide (DPOM): Crystal structures and luminescence","Journal of Solid State Chemistry","2017","253","","231","237","10.1016/j.jssc.2017.06.001","","","0.71073","MoKα","","0.1188","0.1055","","","0.3295","0.3381","","","","","","1.435","","","","has coordinates","279031","2022-11-07","10:58:29",""
"1560407","6.3143","0.0002","7.78","0.0003","20.4665","0.0008","90","","94.159","0.002","90","","1002.77","0.06","296","2","296","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C6 H9 N2 O7 S Zn -","- C6 H9 N2 O7 S Zn -","- C24 H36 N8 O28 S4 Zn4 -","4","1","","Deng, Ji-Hua; Wen, Ya-Qiong; Luo, Xu-Zhong; Zhong, Di-Chang","Anion-dependent formation of four coordination polymers based on N,N′-di(3-pyridine) oxamide (DPOM): Crystal structures and luminescence","Journal of Solid State Chemistry","2017","253","","231","237","10.1016/j.jssc.2017.06.001","","","0.71073","MoKα","","0.0327","0.0287","","","0.071","0.073","","","","","","1.056","","","","has coordinates","261999","2021-02-16","08:37:06",""
"1560408","9.905","0.003","7.82","0.002","13.477","0.004","90","","92.177","0.003","90","","1043.1","0.5","296","2","296","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C6 H9 Cd N2 O7 S -","- C6 H9 Cd N2 O7 S -","- C24 H36 Cd4 N8 O28 S4 -","4","1","","Deng, Ji-Hua; Wen, Ya-Qiong; Luo, Xu-Zhong; Zhong, Di-Chang","Anion-dependent formation of four coordination polymers based on N,N′-di(3-pyridine) oxamide (DPOM): Crystal structures and luminescence","Journal of Solid State Chemistry","2017","253","","231","237","10.1016/j.jssc.2017.06.001","","","0.71073","MoKα","","0.022","0.0194","","","0.0724","0.0881","","","","","","1.355","","","","has coordinates","261999","2021-02-16","08:37:06",""
"1560409","20.7431","0.0008","6.3873","0.0002","17.4741","0.0007","90","","90","","90","","2315.19","0.15","303","2","303","2","","","","","","","","5","P c a 21","P 2c -2ac","29","","","","- B9 K3 Li3 O27 Y7 -","- B9 K3 Li3 O27 Y7 -","- B36 K12 Li12 O108 Y28 -","4","1","","Bräuchle, Sebastian; Huppertz, Hubert","Synthesis and structural characterization of Li3K3Y7(BO3)9","Journal of Solid State Chemistry","2017","253","","242","248","10.1016/j.jssc.2017.05.044","","","0.71073","MoKα","","0.0472","0.0338","","","0.0592","0.0627","","","","","","1.029","","","","has coordinates","262000","2021-02-16","08:42:23",""
"1560410","9.5203","0.0003","8.2098","0.0002","13.164","0.0004","90","","90.192","0.002","90","","1028.89","0.05","100","2","100","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- Ba2 Cl5 Cs -","- Ba2 Cl5 Cs -","- Ba8 Cl20 Cs4 -","4","1","","Mesbah, Adel; Prakash, Jai; Malliakas, Christos D.; Lebègue, Sébastien; Badawi, Michael; Ibers, James A.","Syntheses, crystal structures, and optical properties of CsBa5Ti2Se9Cl and CsBa2Cl5","Journal of Solid State Chemistry","2017","253","","258","262","10.1016/j.jssc.2017.05.029","","","0.71073","MoKα","","0.0424","0.0259","","","0.04","0.0433","","","","","","0.991","","","","has coordinates","262001","2021-02-16","08:47:16",""
"1560411","8.7897","0.0002","8.7897","0.0002","14.3415","0.0004","90","","90","","90","","1108.01","0.05","100","2","100","2","","","","","","","","5","I 4/m c m","-I 4 2c","140","","","","- Ba5 Cl Cs Se9 Ti2 -","- Ba5 Cl Cs Se9 Ti2 -","- Ba10 Cl2 Cs2 Se18 Ti4 -","2","0.0625","","Mesbah, Adel; Prakash, Jai; Malliakas, Christos D.; Lebègue, Sébastien; Badawi, Michael; Ibers, James A.","Syntheses, crystal structures, and optical properties of CsBa5Ti2Se9Cl and CsBa2Cl5","Journal of Solid State Chemistry","2017","253","","258","262","10.1016/j.jssc.2017.05.029","","","0.71073","MoKα","","0.0194","0.0193","","","0.0513","0.0514","","","","","","1.752","","","","has coordinates","262001","2021-02-16","08:47:17",""
"1560412","12.2456","0.0006","12.2456","0.0006","15.208","0.0011","90","","90","","90","","2280.5","0.2","293","2","293","2","","","","","","","","6","P 43","P 4cw","78","","","","- C24 H16 Eu N3 O9 Zn -","- C24 H16 Eu N3 O9 Zn -","- C96 H64 Eu4 N12 O36 Zn4 -","4","1","","Zhang, Xiaolei; Chen, Chen; Liu, Xiaoli; Gao, Peng; Hu, Ming","Series of chiral interpenetrating 3d‒4f heterometallic MOFs: Luminescent sensors and magnetic properties","Journal of Solid State Chemistry","2017","253","","360","366","10.1016/j.jssc.2017.06.020","","","1.54184","CuKα","","0.0912","0.0695","","","0.1658","0.1784","","","","","","1.027","","","","has coordinates","262002","2021-02-16","09:19:55",""
"1560413","12.2428","0.0004","12.2428","0.0004","15.1663","0.0011","90","","90","","90","","2273.2","0.2","293","2","293","2","","","","","","","","6","P 41","P 4w","76","","","","- C24 H16 Gd N3 O9 Zn -","- C24 H16 Gd N3 O9 Zn -","- C96 H64 Gd4 N12 O36 Zn4 -","4","1","","Zhang, Xiaolei; Chen, Chen; Liu, Xiaoli; Gao, Peng; Hu, Ming","Series of chiral interpenetrating 3d‒4f heterometallic MOFs: Luminescent sensors and magnetic properties","Journal of Solid State Chemistry","2017","253","","360","366","10.1016/j.jssc.2017.06.020","","","1.54184","CuKα","","0.0676","0.0502","","","0.1062","0.1155","","","","","","1.02","","","","has coordinates","262002","2021-02-16","09:19:55",""
"1560414","12.2203","0.0005","12.2203","0.0005","15.0611","0.001","90","","90","","90","","2249.2","0.2","293","2","293","2","","","","","","","","6","P 41","P 4w","76","","","","- C24 H16 Dy N3 O9 Zn -","- C24 H16 Dy N3 O9 Zn -","- C96 H64 Dy4 N12 O36 Zn4 -","4","1","","Zhang, Xiaolei; Chen, Chen; Liu, Xiaoli; Gao, Peng; Hu, Ming","Series of chiral interpenetrating 3d‒4f heterometallic MOFs: Luminescent sensors and magnetic properties","Journal of Solid State Chemistry","2017","253","","360","366","10.1016/j.jssc.2017.06.020","","","1.54184","CuKα","","0.0929","0.071","","","0.1679","0.1868","","","","","","1.03","","","","has coordinates","262002","2021-02-16","09:19:55",""
"1560415","12.222","0.001","12.222","0.001","15.0661","0.0018","90","","90","","90","","2250.5","0.4","293","2","293","2","","","","","","","","6","P 43","P 4cw","78","","","","- C24 H16 Ho N3 O9 Zn -","- C24 H16 Ho N3 O9 Zn -","- C96 H64 Ho4 N12 O36 Zn4 -","4","1","","Zhang, Xiaolei; Chen, Chen; Liu, Xiaoli; Gao, Peng; Hu, Ming","Series of chiral interpenetrating 3d‒4f heterometallic MOFs: Luminescent sensors and magnetic properties","Journal of Solid State Chemistry","2017","253","","360","366","10.1016/j.jssc.2017.06.020","","","1.54184","CuKα","","0.153","0.1094","","","0.2668","0.3137","","","","","","1.038","","","","has coordinates","262002","2021-02-16","09:19:55",""
"1560416","12.1929","0.0004","12.1929","0.0004","15.0143","0.0007","90","","90","","90","","2232.13","0.15","293","2","293","2","","","","","","","","6","P 43","P 4cw","78","","","","- C24 H16 Er N3 O9 Zn -","- C24 H16 Er N3 O9 Zn -","- C96 H64 Er4 N12 O36 Zn4 -","4","1","","Zhang, Xiaolei; Chen, Chen; Liu, Xiaoli; Gao, Peng; Hu, Ming","Series of chiral interpenetrating 3d‒4f heterometallic MOFs: Luminescent sensors and magnetic properties","Journal of Solid State Chemistry","2017","253","","360","366","10.1016/j.jssc.2017.06.020","","","1.54184","CuKα","","0.1056","0.0824","","","0.1733","0.1874","","","","","","1.087","","","","has coordinates","262002","2021-02-16","09:19:55",""
"1560417","12.2125","0.0004","12.2125","0.0004","15.0593","0.0006","90","","90","","90","","2246.02","0.14","293","2","293","2","","","","","","","","6","P 43","P 4cw","78","","","","- C24 H16 N3 O9 Tm Zn -","- C24 H16 N3 O9 Tm Zn -","- C96 H64 N12 O36 Tm4 Zn4 -","4","1","","Zhang, Xiaolei; Chen, Chen; Liu, Xiaoli; Gao, Peng; Hu, Ming","Series of chiral interpenetrating 3d‒4f heterometallic MOFs: Luminescent sensors and magnetic properties","Journal of Solid State Chemistry","2017","253","","360","366","10.1016/j.jssc.2017.06.020","","","1.54184","CuKα","","0.1007","0.0887","","","0.2262","0.2376","","","","","","1.076","","","","has coordinates","262002","2021-02-16","09:19:55",""
"1560418","12.1961","0.0006","12.1961","0.0006","14.9534","0.0009","90","","90","","90","","2224.2","0.2","293","2","293","2","","","","","","","","6","P 41","P 4w","76","","","","- C24 H16 N3 O9 Yb Zn -","- C24 H16 N3 O9 Yb Zn -","- C96 H64 N12 O36 Yb4 Zn4 -","4","1","","Zhang, Xiaolei; Chen, Chen; Liu, Xiaoli; Gao, Peng; Hu, Ming","Series of chiral interpenetrating 3d‒4f heterometallic MOFs: Luminescent sensors and magnetic properties","Journal of Solid State Chemistry","2017","253","","360","366","10.1016/j.jssc.2017.06.020","","","1.54184","CuKα","","0.1116","0.0779","","","0.1819","0.2054","","","","","","1.088","","","","has coordinates","262002","2021-02-16","09:19:55",""
"1560419","12.207","0.0006","12.207","0.0006","15.0352","0.0009","90","","90","","90","","2240.4","0.2","293","2","293","2","","","","","","","","6","P 41","P 4w","76","","","","- C22 H14 Lu N5 O9 Zn -","- C24 H16 Lu N3 O9 Zn -","- C96 H64 Lu4 N12 O36 Zn4 -","4","1","","Zhang, Xiaolei; Chen, Chen; Liu, Xiaoli; Gao, Peng; Hu, Ming","Series of chiral interpenetrating 3d‒4f heterometallic MOFs: Luminescent sensors and magnetic properties","Journal of Solid State Chemistry","2017","253","","360","366","10.1016/j.jssc.2017.06.020","","","1.54184","CuKα","","0.1238","0.1051","","","0.2588","0.2832","","","","","","1.065","","","","has coordinates","262002","2021-02-16","09:19:56",""
"1560420","9.4268","0.0014","19.868","0.003","10.1096","0.0014","90","","97.837","0.004","90","","1875.8","0.5","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C13 H6 N6 O6 Zn2 -","- C13 H6 N6 O6 Zn2 -","- C52 H24 N24 O24 Zn8 -","4","1","","Jia, Jia; Wang, Pengcheng; Chai, Juan; Ma, Bing; Sun, Jing; Chen, Xiaobo; Fan, Yong; Wang, Li; Xu, Jianing","Construction of new zinc(II) coordination polymers by 1-(triazol-1-yl)-2,4,6-benzenetricarboxylate ligand for sensitizing lanthanide(III) ions and sensing small molecules","Journal of Solid State Chemistry","2017","253","","430","437","10.1016/j.jssc.2017.06.015","","","0.71073","MoKα","","0.1457","0.1368","","","0.2929","0.2966","","","","","","1.212","","","","has coordinates","262003","2021-02-16","09:27:24",""
"1560421","9.2753","0.0019","9.853","0.002","14.085","0.003","95.54","0.03","102.59","0.03","96.25","0.03","1239.2","0.5","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C23 H13 N5 O11 Zn2 -","- C23 H13 N5 O11 Zn2 -","- C46 H26 N10 O22 Zn4 -","2","1","","Jia, Jia; Wang, Pengcheng; Chai, Juan; Ma, Bing; Sun, Jing; Chen, Xiaobo; Fan, Yong; Wang, Li; Xu, Jianing","Construction of new zinc(II) coordination polymers by 1-(triazol-1-yl)-2,4,6-benzenetricarboxylate ligand for sensitizing lanthanide(III) ions and sensing small molecules","Journal of Solid State Chemistry","2017","253","","430","437","10.1016/j.jssc.2017.06.015","","","0.71073","MoKα","","0.0459","0.0347","","","0.0796","0.0869","","","","","","1.05","","","","has coordinates","262003","2021-02-16","09:27:25",""
"1560422","20.532","0.003","9.118","0.0015","16.593","0.003","90","","109.109","0.004","90","","2935.2","0.8","296","2","296","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C18 H10 N4 O8 Zn3 -","- C18 H10 N4 O8 Zn3 -","- C72 H40 N16 O32 Zn12 -","4","0.5","","Wang, Xin-Fang; Zhou, Sheng-Bin; Du, Ceng-Ceng; Wang, Duo-Zhi; Jia, Dianzeng","Seven new Zn(II)/Cd(II) coordination polymers with 2-(hydroxymethyl)-1 H -benzo[ d ]imidazole-5-carboxylic acid: Synthesis, structures and properties","Journal of Solid State Chemistry","2017","252","","72","85","10.1016/j.jssc.2017.04.039","","","0.71073","MoKα","","0.0681","0.0619","","","0.1832","0.1872","","","","","","0.978","","","","has coordinates","262004","2021-02-16","09:56:12",""
"1560423","13.1872","0.0009","10.2472","0.0007","8.044","0.0005","90","","94.952","0.002","90","","1082.94","0.12","273","2","273","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C18 H18 F6 N4 O8 Si Zn2 -","- C18 H18 F6 N4 O8 Si Zn2 -","- C36 H36 F12 N8 O16 Si2 Zn4 -","2","0.5","","Wang, Xin-Fang; Zhou, Sheng-Bin; Du, Ceng-Ceng; Wang, Duo-Zhi; Jia, Dianzeng","Seven new Zn(II)/Cd(II) coordination polymers with 2-(hydroxymethyl)-1 H -benzo[ d ]imidazole-5-carboxylic acid: Synthesis, structures and properties","Journal of Solid State Chemistry","2017","252","","72","85","10.1016/j.jssc.2017.04.039","","","0.71073","MoKα","","0.0405","0.0313","","","0.0755","0.0819","","","","","","1.039","","","","has coordinates","262004","2021-02-16","09:56:13",""
"1560424","15.9369","0.0007","9.4915","0.0007","14.7569","0.0008","90","","104.629","0.002","90","","2159.8","0.2","296","2","296","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C10 H7 N3 O3 S Zn -","- C10 H7 N3 O3 S Zn -","- C80 H56 N24 O24 S8 Zn8 -","8","1","","Wang, Xin-Fang; Zhou, Sheng-Bin; Du, Ceng-Ceng; Wang, Duo-Zhi; Jia, Dianzeng","Seven new Zn(II)/Cd(II) coordination polymers with 2-(hydroxymethyl)-1 H -benzo[ d ]imidazole-5-carboxylic acid: Synthesis, structures and properties","Journal of Solid State Chemistry","2017","252","","72","85","10.1016/j.jssc.2017.04.039","","","0.71073","MoKα","","0.0376","0.0287","","","0.0674","0.0716","","","","","","1.07","","","","has coordinates","262004","2021-02-16","09:56:13",""
"1560425","14.868","0.0006","10.7208","0.0006","17.4324","0.0008","90","","92.723","0.002","90","","2775.5","0.2","296","2","296","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C28 H22 N6 O10 S Zn2 -","- C28 H22 N6 O10 S Zn2 -","- C112 H88 N24 O40 S4 Zn8 -","4","0.5","","Wang, Xin-Fang; Zhou, Sheng-Bin; Du, Ceng-Ceng; Wang, Duo-Zhi; Jia, Dianzeng","Seven new Zn(II)/Cd(II) coordination polymers with 2-(hydroxymethyl)-1 H -benzo[ d ]imidazole-5-carboxylic acid: Synthesis, structures and properties","Journal of Solid State Chemistry","2017","252","","72","85","10.1016/j.jssc.2017.04.039","","","0.71073","MoKα","","0.0363","0.0294","","","0.0692","0.0726","","","","","","1.066","","","","has coordinates,has disorder","262004","2021-02-16","09:56:13",""
"1560426","8.2628","0.0002","8.6257","0.0002","13.0056","0.0004","91.329","0.001","92.549","0.001","96.17","0.001","920.29","0.04","296","2","296","2","","","","","","","","5","P -1","-P 1","2","","","","- C18 H18 N4 O8 Zn -","- C18 H18 N4 O8 Zn -","- C36 H36 N8 O16 Zn2 -","2","1","","Wang, Xin-Fang; Zhou, Sheng-Bin; Du, Ceng-Ceng; Wang, Duo-Zhi; Jia, Dianzeng","Seven new Zn(II)/Cd(II) coordination polymers with 2-(hydroxymethyl)-1 H -benzo[ d ]imidazole-5-carboxylic acid: Synthesis, structures and properties","Journal of Solid State Chemistry","2017","252","","72","85","10.1016/j.jssc.2017.04.039","","","0.71073","MoKα","","0.0252","0.0232","","","0.0564","0.0573","","","","","","1.037","","","","has coordinates","262004","2021-02-16","09:56:13",""
"1560427","8.2591","0.0014","8.6105","0.0014","13.502","0.002","91.409","0.002","92.125","0.003","96.403","0.003","953.1","0.3","296","2","296","2","","","","","","","","5","P -1","-P 1","2","","","","- C18 H18 Cd N4 O8 -","- C18 H18 Cd N4 O8 -","- C36 H36 Cd2 N8 O16 -","2","1","","Wang, Xin-Fang; Zhou, Sheng-Bin; Du, Ceng-Ceng; Wang, Duo-Zhi; Jia, Dianzeng","Seven new Zn(II)/Cd(II) coordination polymers with 2-(hydroxymethyl)-1 H -benzo[ d ]imidazole-5-carboxylic acid: Synthesis, structures and properties","Journal of Solid State Chemistry","2017","252","","72","85","10.1016/j.jssc.2017.04.039","","","0.71073","MoKα","","0.0263","0.0243","","","0.0606","0.0621","","","","","","1.121","","","","has coordinates","262004","2021-02-16","09:56:13",""
"1560428","13.9427","0.0005","11.0333","0.0004","7.3723","0.0003","90","","100.215","0.001","90","","1116.13","0.07","296","2","296","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C18 H14 Cd2 N4 O12 S -","- C18 H14 Cd2 N4 O12 S -","- C36 H28 Cd4 N8 O24 S2 -","2","0.5","","Wang, Xin-Fang; Zhou, Sheng-Bin; Du, Ceng-Ceng; Wang, Duo-Zhi; Jia, Dianzeng","Seven new Zn(II)/Cd(II) coordination polymers with 2-(hydroxymethyl)-1 H -benzo[ d ]imidazole-5-carboxylic acid: Synthesis, structures and properties","Journal of Solid State Chemistry","2017","252","","72","85","10.1016/j.jssc.2017.04.039","","","0.71073","MoKα","","0.1177","0.0575","","","0.292","0.292","","","","","","1.015","","","","has coordinates,has disorder","262004","2021-02-16","09:56:13",""
"1560429","39.982","0.003","39.982","0.003","9.0356","0.0008","90","","90","","120","","12508.8","1.7","293","2","293","2","","","","","","","","5","R -3 :H","-R 3","148","","","","- C24 H18 Eu N O10 -","- C24 H18 Eu N O10 -","- C432 H324 Eu18 N18 O180 -","18","1","","Ma, Ranran; Chen, Zhiwei; Wang, Suna; Yao, Qingxia; Li, Yunwu; Lu, Jing; Li, Dacheng; Dou, Jianmin","Solvent-induced assembly of two helical Eu(III) metal-organic frameworks and fluorescence sensing activities towards nitrobenzene and Cu 2+ ions","Journal of Solid State Chemistry","2017","252","","142","151","10.1016/j.jssc.2017.05.018","","","0.71073","MoKα","","0.061","0.0429","","","0.1309","0.1396","","","","","","1.005","","","","has coordinates","262005","2021-02-16","10:08:20",""
"1560430","35.313","0.003","35.313","0.003","8.7513","0.0009","90","","90","","90","","10912.9","1.7","298","2","298","2","","","","","","","","5","I 41/a :2","-I 4ad","88","","","","- C26 H24 Eu N O10 -","- C26 H24 Eu N O10 -","- C416 H384 Eu16 N16 O160 -","16","1","","Ma, Ranran; Chen, Zhiwei; Wang, Suna; Yao, Qingxia; Li, Yunwu; Lu, Jing; Li, Dacheng; Dou, Jianmin","Solvent-induced assembly of two helical Eu(III) metal-organic frameworks and fluorescence sensing activities towards nitrobenzene and Cu 2+ ions","Journal of Solid State Chemistry","2017","252","","142","151","10.1016/j.jssc.2017.05.018","","","0.71073","MoKα","","0.0749","0.0436","","","0.0956","0.1094","","","","","","1.007","","","","has coordinates","262005","2021-02-16","10:08:21",""
"1560431","16.7319","0.0005","16.7319","0.0005","10.0975","0.0003","90","","90","","90","","2826.86","0.15","293","2","293","2","","","","","","","","5","P -4 21 c","P -4 2n","114","","","","- Ca2 H3 O17 P4 Zn3.5 -","- Ca2 H3 O17 P4 Zn3.5 -","- Ca16 H24 O136 P32 Zn28 -","8","1","","Chang, Tong-Ying; Hu, Chun-Li; Yan, Dong; Mao, Jiang-Gao","(H 3 O)Ca 2 Zn 3.5 (PO 4 ) 4 and Ba 2 Cd 3 (PO 4 ) 2 (HPO 4 ) 2 : Syntheses, crystal structures and characterizations of two mixed metal phosphates","Journal of Solid State Chemistry","2017","251","","19","25","10.1016/j.jssc.2017.04.008","","","0.71073","MoKα","","0.0321","0.0291","","","0.0686","0.0708","","","","","","1.098","","","","has coordinates","262006","2021-02-16","10:35:21",""
"1560432","8.092","0.0007","9.1506","0.0006","9.8208","0.0008","90","","100.868","0.008","90","","714.15","0.1","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- Ba2 Cd3 H2 O16 P4 -","- Ba2 Cd3 H2 O16 P4 -","- Ba4 Cd6 H4 O32 P8 -","2","0.5","","Chang, Tong-Ying; Hu, Chun-Li; Yan, Dong; Mao, Jiang-Gao","(H 3 O)Ca 2 Zn 3.5 (PO 4 ) 4 and Ba 2 Cd 3 (PO 4 ) 2 (HPO 4 ) 2 : Syntheses, crystal structures and characterizations of two mixed metal phosphates","Journal of Solid State Chemistry","2017","251","","19","25","10.1016/j.jssc.2017.04.008","","","0.71073","MoKα","","0.037","0.0299","","","0.0629","0.0673","","","","","","1.041","","","","has coordinates","262006","2021-02-16","10:35:21",""
"1560433","11.3359","0.0004","12.6499","0.0004","22.992","0.0009","86.976","0.003","83.813","0.003","69.051","0.003","3060.8","0.2","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C55 H69 N O19 Tb -","- C55 H69 N O19 Tb -","- C110 H138 N2 O38 Tb2 -","2","1","","Viana, R.S.; Oliveira, C.A.F.; Chojnacki, J.; Barros, B.S.; Alves-Jr, S.; Kulesza, J.","Structural and spectroscopic investigation of new luminescent hybrid materials based on calix[4]arene-tetracarboxylate and Ln 3+ ions (Ln = Gd, Tb or Eu)","Journal of Solid State Chemistry","2017","251","","26","32","10.1016/j.jssc.2017.04.002","","x-ray","0.71073","MoKα","","0.0653","0.0545","","","0.1394","0.151","","","","","","1.074","","","","has coordinates,has disorder","262008","2021-02-16","10:45:49",""
"1560434","9.7879","0.0011","9.792","0.0011","12.7226","0.0015","96.074","0.004","112.33","0.003","94.08","0.004","1113.4","0.2","303","2","303","2","","","","","","","","5","P 1","P 1","1","barium boron aluminum silicon nitride","","","- Al4 B2 Ba5 N52 Si32 -","- Al3.9996 B2 Ba5 N52 Si32.0012 -","- Al3.9996 B2 Ba5 N52 Si32.0012 -","1","1","","Yoshimura, Fumitaka; Yamane, Hisanori; Nagasako, Makoto","Synthesis and crystal structure of a new aluminum-silicon-nitride phosphor containing boron, Ba 5 B 2 Al 4 Si 32 N 52 :Eu","Journal of Solid State Chemistry","2017","251","","43","49","10.1016/j.jssc.2017.03.028","","","0.71073","MoKα","","0.0591","0.0584","","","0.1561","0.1568","","","","","","1.069","","","","has coordinates","262009","2021-02-16","10:52:10",""
"1560438","11.2079","0.0005","3.9686","0.0002","44.1642","0.0018","90","","90","","90","","1964.41","0.15","173","2","173","2","","","","","","","","4","P n m a","-P 2ac 2n","62","neodymium cobalt indium sulfide (7/1/1/13)","neodymium cobalt indium sulfide (7/1/1/13)","","- Fe In Nd7 S13 -","- Fe In Nd7 S13 -","- Fe4 In4 Nd28 S52 -","4","0.5","","Iyer, Abishek K.; Yin, Wenlong; Stoyko, Stanislav S.; Rudyk, Brent W.; Mar, Arthur","Quaternary rare-earth sulfides Nd 7 FeInS 13 and Pr 7 CoInS 13","Journal of Solid State Chemistry","2017","251","","50","54","10.1016/j.jssc.2017.04.010","","","0.71073","MoKα","","0.0365","0.0289","","","0.065","0.0674","","","","","","1.11","","","","has coordinates","262024","2021-02-17","09:23:54",""
"1560439","11.2303","0.0006","3.9876","0.0002","44.506","0.002","90","","90","","90","","1993.07","0.17","296","2","296","2","","","","","","","","4","P n m a","-P 2ac 2n","62","praseodymium cobalt indium sulfide (7/1/1/13)","praseodymium cobalt indium sulfide (7/1/1/13)","","- Co In Pr7 S13 -","- Co In Pr7 S13 -","- Co4 In4 Pr28 S52 -","4","0.5","","Iyer, Abishek K.; Yin, Wenlong; Stoyko, Stanislav S.; Rudyk, Brent W.; Mar, Arthur","Quaternary rare-earth sulfides Nd 7 FeInS 13 and Pr 7 CoInS 13","Journal of Solid State Chemistry","2017","251","","50","54","10.1016/j.jssc.2017.04.010","","","0.71073","MoKα","","0.0788","0.0415","","","0.0741","0.0848","","","","","","1.008","","","","has coordinates","262025","2021-02-17","09:25:17",""
"1560440","9.6327","0.0003","20.6934","0.0007","10.3704","0.0003","90","","100.646","0.003","90","","2031.58","0.11","293","2","293","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C6 Cu2 Ge Mn N6 Se5 -","- C6 Cu2 Ge Mn N6 Se5 -","- C24 Cu8 Ge4 Mn4 N24 Se20 -","4","1","","Zhang, Yingying; Hu, Dandan; Yang, Huajun; Lin, Jian; Wu, Tao","Synthesis, crystal structure, near-IR photoelectric response of two 1-D selenides: [Cu 2 MSe 5 ]·[Mn(H + -en) 2 (en)] (M=Ge, Sn)","Journal of Solid State Chemistry","2017","251","","61","64","10.1016/j.jssc.2017.04.006","","","0.71073","MoKα","","0.0461","0.0332","","","0.0757","0.0804","","","","","","1.044","","","","has coordinates","279031","2022-11-07","10:58:29",""
"1560441","9.64","0.004","21.044","0.01","10.611","0.005","90","","100.72","0.05","90","","2115","1.7","293","2","293","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C6 Cu2 Mn N6 Se5 Sn -","- C6 Cu2 Mn N6 Se5 Sn -","- C24 Cu8 Mn4 N24 Se20 Sn4 -","4","1","","Zhang, Yingying; Hu, Dandan; Yang, Huajun; Lin, Jian; Wu, Tao","Synthesis, crystal structure, near-IR photoelectric response of two 1-D selenides: [Cu 2 MSe 5 ]·[Mn(H + -en) 2 (en)] (M=Ge, Sn)","Journal of Solid State Chemistry","2017","251","","61","64","10.1016/j.jssc.2017.04.006","","","0.71073","MoKα","","0.0461","0.033","","","0.0777","0.0823","","","","","","1.042","","","","has coordinates","279031","2022-11-07","10:58:29",""
"1560442","15.7871","0.0006","15.7871","0.0006","19.7992","0.0016","90","","90","","90","","4934.6","0.5","293","2","293","2","","","","","","","","3","I 41 c d","I 4bw -2c","110","","","","- Ce8 S15 Sb2 -","- Ce8 S15 Sb2 -","- Ce64 S120 Sb16 -","8","0.5","","Zhao, Hua-Jun; Zhong, Xiao-Ai","Synthesis, crystal structure, and optical properties of the noncentrosymmetric sulfide Ce 8 Sb 2 S 15","Journal of Solid State Chemistry","2017","251","","65","69","10.1016/j.jssc.2017.04.011","","","0.71073","MoKα","","0.0225","0.022","","","0.0457","0.0459","","","","","","1.143","","","","has coordinates","262027","2021-02-17","09:39:10",""
"1560443","8.5524","0.0016","9.5677","0.0018","11.444","0.002","89.151","0.002","69.103","0.002","73.378","0.002","834.3","0.3","296","2","296","2","","","","","","","","3","P -1","-P 1","2","","","","- C22 H17 N3 -","- C22 H17 N3 -","- C44 H34 N6 -","2","1","","Yuan, Fei; Wang, Ting-Ting; Hu, Huai-Ming; Li, Chuan-Ti; Zhou, Chun-Sheng; Wang, Xiaofang; Xue, Ganglin","Two luminescent d 10 metal coordination polymers assembled from a semirigid terpyridyl carboxylate ligand with high selective detecting of Cu 2+ , Cr 2 O 7 2- and acetone","Journal of Solid State Chemistry","2017","251","","79","89","10.1016/j.jssc.2017.04.014","","","0.71073","MoKα","","0.0655","0.0472","","","0.1268","0.1437","","","","","","1.068","","","","has coordinates","262028","2021-02-17","09:45:21",""
"1560444","15.102","0.006","15.117","0.006","17.397","0.007","86.631","0.005","69.642","0.004","79.346","0.005","3659","3","296","2","296","2","","","","","","","","5","P -1","-P 1","2","","","","- C88 H56 N12 O9 Zn2 -","- C88 H56 N12 O9 Zn2 -","- C176 H112 N24 O18 Zn4 -","2","1","","Yuan, Fei; Wang, Ting-Ting; Hu, Huai-Ming; Li, Chuan-Ti; Zhou, Chun-Sheng; Wang, Xiaofang; Xue, Ganglin","Two luminescent d 10 metal coordination polymers assembled from a semirigid terpyridyl carboxylate ligand with high selective detecting of Cu 2+ , Cr 2 O 7 2- and acetone","Journal of Solid State Chemistry","2017","251","","79","89","10.1016/j.jssc.2017.04.014","","","0.71073","MoKα","","0.1221","0.0847","","","0.2262","0.2488","","","","","","1.04","","","","has coordinates","262028","2021-02-17","09:45:21",""
"1560445","35.07","0.02","7.469","0.005","21.491","0.014","90","","120.585","0.011","90","","4846","5","296","2","296","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C49 H31 N8 O11 Zn2 -","- C49 H31 N8 O11 Zn2 -","- C196 H124 N32 O44 Zn8 -","4","0.5","","Yuan, Fei; Wang, Ting-Ting; Hu, Huai-Ming; Li, Chuan-Ti; Zhou, Chun-Sheng; Wang, Xiaofang; Xue, Ganglin","Two luminescent d 10 metal coordination polymers assembled from a semirigid terpyridyl carboxylate ligand with high selective detecting of Cu 2+ , Cr 2 O 7 2- and acetone","Journal of Solid State Chemistry","2017","251","","79","89","10.1016/j.jssc.2017.04.014","","","0.71073","MoKα","","0.1701","0.0883","","","0.1991","0.2443","","","","","","1.052","","","","has coordinates","262028","2021-02-17","09:45:22",""
"1560446","9.827","0.002","15.592","0.003","12.954","0.003","90","","102.59","0.03","90","","1937.1","0.7","293","2","293","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C32 H36 Cu4 I4 N8 O0 -","- C32 H36 Cu4 I4 N8 -","- C64 H72 Cu8 I8 N16 -","2","0.5","","Wang, Rong-Yan; Zhang, Xiao; Yang, Qing-Feng; Huo, Qi-Sheng; Yu, Jie-Hui; Xu, Jia-Ning; Xu, Ji-Qing","New copper(I) iodides with bisimidazole molecules: Synthesis, structural characterization and photoluminescence property","Journal of Solid State Chemistry","2017","251","","176","185","10.1016/j.jssc.2017.04.022","","","0.71073","MoKα","","0.0346","0.0296","","","0.0613","0.0628","","","","","","1.059","","","","has coordinates","262029","2021-02-17","10:12:54",""
"1560447","10.0197","0.0008","7.6791","0.0006","22.4578","0.0018","90","","101.735","0.003","90","","1691.8","0.2","297","2","297","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C18 H14 Cu I N4 -","- C18 H14 Cu I N4 -","- C72 H56 Cu4 I4 N16 -","4","1","","Wang, Rong-Yan; Zhang, Xiao; Yang, Qing-Feng; Huo, Qi-Sheng; Yu, Jie-Hui; Xu, Jia-Ning; Xu, Ji-Qing","New copper(I) iodides with bisimidazole molecules: Synthesis, structural characterization and photoluminescence property","Journal of Solid State Chemistry","2017","251","","176","185","10.1016/j.jssc.2017.04.022","","","0.71073","MoKα","","0.0492","0.0375","","","0.1027","0.1179","","","","","","1.115","","","","has coordinates","262029","2021-02-17","10:12:56",""
"1560448","12.75","0.003","4.3315","0.0009","18.209","0.004","90","","97.92","0.03","90","","996","0.4","293","2","293","2","","","","","","","","6","P 1 2/n 1","-P 2yac","13","","","","- C11 H16 Cu4 I4 N4 O0 -","- C11 H16 Cu4 I4 N4 -","- C22 H32 Cu8 I8 N8 -","2","0.5","","Wang, Rong-Yan; Zhang, Xiao; Yang, Qing-Feng; Huo, Qi-Sheng; Yu, Jie-Hui; Xu, Jia-Ning; Xu, Ji-Qing","New copper(I) iodides with bisimidazole molecules: Synthesis, structural characterization and photoluminescence property","Journal of Solid State Chemistry","2017","251","","176","185","10.1016/j.jssc.2017.04.022","","","0.71073","MoKα","","0.0474","0.0383","","","0.0896","0.0917","","","","","","1.078","","","","has coordinates","262029","2021-02-17","10:12:56",""
"1560449","4.1668","0.0008","11.069","0.002","11.972","0.002","114.32","0.03","98.43","0.03","91.08","0.03","495.8","0.2","293","2","293","2","","","","","","","","6","P -1","-P 1","2","","","","- C12 H10 Cu4 I4 N4 O0 -","- C12 H10 Cu4 I4 N4 -","- C12 H10 Cu4 I4 N4 -","1","0.5","","Wang, Rong-Yan; Zhang, Xiao; Yang, Qing-Feng; Huo, Qi-Sheng; Yu, Jie-Hui; Xu, Jia-Ning; Xu, Ji-Qing","New copper(I) iodides with bisimidazole molecules: Synthesis, structural characterization and photoluminescence property","Journal of Solid State Chemistry","2017","251","","176","185","10.1016/j.jssc.2017.04.022","","","0.71073","MoKα","","0.0442","0.0378","","","0.1106","0.1131","","","","","","1.117","","","","has coordinates","262029","2021-02-17","10:12:56",""
"1560450","42.929","0.009","9.984","0.002","19.943","0.004","90","","114.93","0.03","90","","7751","3","293","2","293","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C28 H35 Cu4 I4 N8 -","- C28 H35 Cu4 I4 N8 -","- C224 H280 Cu32 I32 N64 -","8","1","","Wang, Rong-Yan; Zhang, Xiao; Yang, Qing-Feng; Huo, Qi-Sheng; Yu, Jie-Hui; Xu, Jia-Ning; Xu, Ji-Qing","New copper(I) iodides with bisimidazole molecules: Synthesis, structural characterization and photoluminescence property","Journal of Solid State Chemistry","2017","251","","176","185","10.1016/j.jssc.2017.04.022","","","0.71073","MoKα","","0.097","0.0595","","","0.1064","0.1193","","","","","","1.053","","","","has coordinates,has disorder","262031","2021-02-17","10:16:48",""
"1560451","21.928","0.0018","9.1121","0.0007","29.51","0.002","90","","131.273","0.007","90","","4431.6","0.8","150","2","150","1","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C30 H46 Ba4 O19 P4 -","- C30 H46 Ba4 O19 P4 -","- C120 H184 Ba16 O76 P16 -","4","1","","Melánová, Klára; Beneš, Ludvík; Zima, Vítězslav; Svoboda, Jan; Růžička, Aleš","Intercalation of alcohols into barium phenylphosphonate: Influence of the number and position of functional groups in the guests on their arrangement in the intercalates","Journal of Solid State Chemistry","2017","251","","211","216","10.1016/j.jssc.2017.04.030","","","0.71073","MoKα","","0.0952","0.0481","","","0.12","0.1496","","","","","","1.056","","","","has coordinates,has disorder","262034","2021-02-17","10:28:14",""
"1560452","9.6429","0.0019","13.596","0.003","20.27","0.004","84.83","0.03","83.61","0.03","75.82","0.03","2555.1","1","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C36 H18 Eu2 N0 O16 -","- C36 H18 Eu2 O16 -","- C72 H36 Eu4 O32 -","2","1","","Zhu, Yajing; Wang, Li; Chen, Xiaodong; Wang, Pengcheng; Fan, Yong; Zhang, Ping","3D lanthanide metal-organic frameworks constructed from 2,6-naphthalenedicarboxylate ligand: synthesis, structure, luminescence and dye adsorption","Journal of Solid State Chemistry","2017","251","","248","254","10.1016/j.jssc.2017.04.026","","","0.71073","MoKα","","0.1196","0.0849","","","0.2157","0.2379","","","","","","1.057","","","","has coordinates","262035","2021-02-17","10:34:31",""
"1560453","13.7835","0.0005","12.1638","0.0005","15.233","0.0008","90","","90","","90","","2553.96","0.19","295","2","295","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C9 H15 Ag N4 O4 -","- C9 H15 Ag N4 O4 -","- C72 H120 Ag8 N32 O32 -","8","1","","Xiao, Ying-Hui; Huang, Jing; Deng, Zhao-Peng; Huo, Li-Hua; Gao, Shan","Syntheses and characterizations of multinuclear, chain and layer silver(I) complexes assembled from bispyridine analogues of pyridinyl-hexahydropyrimidine","Journal of Solid State Chemistry","2017","251","","255","265","10.1016/j.jssc.2017.04.033","","","0.71073","MoKα","","0.0521","0.0321","","","0.0616","0.07","","","","","","1.018","","","","has coordinates","262038","2021-02-17","12:36:30",""
"1560454","8.4289","0.0004","14.2333","0.0005","9.8016","0.0004","90","","103.993","0.004","90","","1141.01","0.08","295","2","295","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C9 H13 Ag N4 O3 -","- C9 H13 Ag N4 O3 -","- C36 H52 Ag4 N16 O12 -","4","1","","Xiao, Ying-Hui; Huang, Jing; Deng, Zhao-Peng; Huo, Li-Hua; Gao, Shan","Syntheses and characterizations of multinuclear, chain and layer silver(I) complexes assembled from bispyridine analogues of pyridinyl-hexahydropyrimidine","Journal of Solid State Chemistry","2017","251","","255","265","10.1016/j.jssc.2017.04.033","","","0.71073","MoKα","","0.0688","0.0467","","","0.0945","0.105","","","","","","1.051","","","","has coordinates","262038","2021-02-17","12:36:34",""
"1560455","10.2426","0.0004","18.4626","0.0006","15.893","0.0007","90","","101.177","0.004","90","","2948.4","0.2","295","2","295","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C18 H32 Ag3 N9 O12 -","- C18 H32 Ag3 N9 O12 -","- C72 H128 Ag12 N36 O48 -","4","1","","Xiao, Ying-Hui; Huang, Jing; Deng, Zhao-Peng; Huo, Li-Hua; Gao, Shan","Syntheses and characterizations of multinuclear, chain and layer silver(I) complexes assembled from bispyridine analogues of pyridinyl-hexahydropyrimidine","Journal of Solid State Chemistry","2017","251","","255","265","10.1016/j.jssc.2017.04.033","","","0.71073","MoKα","","0.0786","0.0533","","","0.1394","0.1593","","","","","","1.039","","","","has coordinates","262038","2021-02-17","12:36:34",""
"1560456","14.8627","0.0014","6.5304","0.0005","15.4966","0.0017","90","","90","","90","","1504.1","0.2","295","2","295","2","","","","","","","","6","P n m a","-P 2ac 2n","62","","","","- C11 H16 Ag Cl N4 O4 -","- C11 H16 Ag Cl N4 O4 -","- C44 H64 Ag4 Cl4 N16 O16 -","4","0.5","","Xiao, Ying-Hui; Huang, Jing; Deng, Zhao-Peng; Huo, Li-Hua; Gao, Shan","Syntheses and characterizations of multinuclear, chain and layer silver(I) complexes assembled from bispyridine analogues of pyridinyl-hexahydropyrimidine","Journal of Solid State Chemistry","2017","251","","255","265","10.1016/j.jssc.2017.04.033","","","0.71073","MoKα","","0.0835","0.0568","","","0.1195","0.14","","","","","","1.006","","","","has coordinates,has disorder","262038","2021-02-17","12:36:34",""
"1560457","25.2964","0.0014","6.4765","0.0003","16.2622","0.0015","90","","90","","90","","2664.3","0.3","295","2","295","2","","","","","","","","5","P n m a","-P 2ac 2n","62","","","","- C18 H30 Ag2 N8 O8 -","- C18 H30 Ag2 N8 O8 -","- C72 H120 Ag8 N32 O32 -","4","0.5","","Xiao, Ying-Hui; Huang, Jing; Deng, Zhao-Peng; Huo, Li-Hua; Gao, Shan","Syntheses and characterizations of multinuclear, chain and layer silver(I) complexes assembled from bispyridine analogues of pyridinyl-hexahydropyrimidine","Journal of Solid State Chemistry","2017","251","","255","265","10.1016/j.jssc.2017.04.033","","","0.71073","MoKα","","0.092","0.0671","","","0.2007","0.2213","","","","","","1.068","","","","has coordinates,has disorder","262038","2021-02-17","12:36:35",""
"1560458","6.4359","0.0002","41.977","0.002","18.1773","0.0008","90","","90","","90","","4910.8","0.4","295","2","295","2","","","","","","","","6","A m a 2","A 2 -2a","40","","","","- C31 H45 Ag3 Cl3 N11 O12 -","- C31 H45 Ag3 Cl3 N11 O12 -","- C124 H180 Ag12 Cl12 N44 O48 -","4","0.5","","Xiao, Ying-Hui; Huang, Jing; Deng, Zhao-Peng; Huo, Li-Hua; Gao, Shan","Syntheses and characterizations of multinuclear, chain and layer silver(I) complexes assembled from bispyridine analogues of pyridinyl-hexahydropyrimidine","Journal of Solid State Chemistry","2017","251","","255","265","10.1016/j.jssc.2017.04.033","","","0.71073","MoKα","","0.0698","0.0584","","","0.1499","0.1596","","","","","","1.073","","","","has coordinates","262038","2021-02-17","12:36:35",""
"1560459","8.6176","0.0005","14.088","0.0005","10.1739","0.0007","90","","109.741","0.008","90","","1162.57","0.13","295","2","295","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C18 H26 Ag2 N8 O6 -","- C18 H26 Ag2 N8 O6 -","- C36 H52 Ag4 N16 O12 -","2","0.5","","Xiao, Ying-Hui; Huang, Jing; Deng, Zhao-Peng; Huo, Li-Hua; Gao, Shan","Syntheses and characterizations of multinuclear, chain and layer silver(I) complexes assembled from bispyridine analogues of pyridinyl-hexahydropyrimidine","Journal of Solid State Chemistry","2017","251","","255","265","10.1016/j.jssc.2017.04.033","","","0.71073","MoKα","","0.061","0.0396","","","0.0743","0.0827","","","","","","1.021","","","","has coordinates","262038","2021-02-17","12:36:35",""
"1560460","10.099","0.002","11.881","0.002","16.868","0.003","76.62","0.03","78.22","0.03","86.49","0.03","1927.3","0.7","293","2","293","2","","","","","","","","6","P -1","-P 1","2","","","","- C36 H28 Co2 N4 O11 S -","- C36 H26 Co2 N4 O10.5 S -","- C72 H52 Co4 N8 O21 S2 -","2","1","","Yao, Shuang; Yi, Fei-Yan; Li, Guanghua; Yu, Yang; Wang, Jing-yuan; Liu, Dan; Song, Shu-Yan","Syntheses, structures, and magnetic properties of cobalt(II) and nickel(II) coordination polymers based on a V-shaped ligand","Journal of Solid State Chemistry","2017","250","","6","13","10.1016/j.jssc.2017.03.010","","","0.71073","MoKα","","0.0986","0.0595","","","0.1396","0.153","","","","","","0.903","","","","has coordinates,has disorder","262056","2021-02-18","09:36:35",""
"1560461","11.2036","0.0005","11.2036","0.0005","29.896","0.002","90","","90","","90","","3752.6","0.3","296","2","296","2","","","","","","","","6","P 43 21 2","P 4nw 2abw","96","","","","- C36 H36 N4 Ni2 O15 S -","- C36 H36 N4 Ni2 O15 S -","- C144 H144 N16 Ni8 O60 S4 -","4","0.5","","Yao, Shuang; Yi, Fei-Yan; Li, Guanghua; Yu, Yang; Wang, Jing-yuan; Liu, Dan; Song, Shu-Yan","Syntheses, structures, and magnetic properties of cobalt(II) and nickel(II) coordination polymers based on a V-shaped ligand","Journal of Solid State Chemistry","2017","250","","6","13","10.1016/j.jssc.2017.03.010","","","0.71073","MoKα","","0.0608","0.0595","","","0.1412","0.1419","","","","","","1.192","","","","has coordinates,has disorder","262056","2021-02-18","09:36:36",""
"1560462","10.3179","0.0007","10.3179","0.0007","5.8107","0.0004","90","","90","","120","","535.72","0.06","296","2","296","2","","","","","","","","4","P 63","P 6c","173","lanthanum cobalt germanium sulfide (3/0.5/1/7)","lanthanum cobalt germanium sulfide (3/0.5/1/7)","","- Co0.5 Ge La3 S7 -","- Co0.5 Ge La3 S7 -","- Co Ge2 La6 S14 -","2","0.333333","","Iyer, Abishek K.; Yin, Wenlong; Lee, Emma J.; Lin, Xinsong; Mar, Arthur","Quaternary rare-earth sulfides RE 3 M 0.5 GeS 7 (RE=La‒Nd, Sm; M=Co, Ni) and Y 3 Pd 0.5 SiS 7","Journal of Solid State Chemistry","2017","250","","14","23","10.1016/j.jssc.2017.03.009","","","0.71073","MoKα","","0.0265","0.0242","","","0.0438","0.0447","","","","","","1.1","","","","has coordinates","262057","2021-02-18","09:49:21",""
"1560463","10.206","0.003","10.206","0.003","5.7906","0.0017","90","","90","","120","","522.4","0.3","296","2","296","2","","","","","","","","4","P 63","P 6c","173","cerium cobalt germanium sulphide (3/0.5/1/7)","cerium cobalt germanium sulphide (3/0.5/1/7)","","- Ce3 Co0.5 Ge S7 -","- Ce3 Co0.5 Ge S7 -","- Ce6 Co Ge2 S14 -","2","0.333333","","Iyer, Abishek K.; Yin, Wenlong; Lee, Emma J.; Lin, Xinsong; Mar, Arthur","Quaternary rare-earth sulfides RE 3 M 0.5 GeS 7 (RE=La‒Nd, Sm; M=Co, Ni) and Y 3 Pd 0.5 SiS 7","Journal of Solid State Chemistry","2017","250","","14","23","10.1016/j.jssc.2017.03.009","","","0.71073","MoKα","","0.0623","0.0431","","","0.0843","0.0922","","","","","","1.084","","","","has coordinates","262058","2021-02-18","09:53:46",""
"1560464","10.1306","0.0006","10.1306","0.0006","5.7785","0.0004","90","","90","","120","","513.59","0.06","296","2","296","2","","","","","","","","4","P 63","P 6c","173","praseodymium cobalt germanium sulphide (3/0.5/1/7)","praseodymium cobalt germanium sulphide (3/0.5/1/7)","","- Co0.5 Ge Pr3 S7 -","- Co0.5 Ge Pr3 S7 -","- Co Ge2 Pr6 S14 -","2","0.333333","","Iyer, Abishek K.; Yin, Wenlong; Lee, Emma J.; Lin, Xinsong; Mar, Arthur","Quaternary rare-earth sulfides RE 3 M 0.5 GeS 7 (RE=La‒Nd, Sm; M=Co, Ni) and Y 3 Pd 0.5 SiS 7","Journal of Solid State Chemistry","2017","250","","14","23","10.1016/j.jssc.2017.03.009","","","0.71073","MoKα","","0.0257","0.0234","","","0.0464","0.0475","","","","","","1.136","","","","has coordinates","262059","2021-02-18","09:57:16",""
"1560465","10.0775","0.0006","10.0775","0.0006","5.7704","0.0003","90","","90","","120","","507.51","0.05","296","2","296","2","","","","","","","","4","P 63","P 6c","173","neodymium cobalt germanium sulfide (3/0.5/1/7)","neodymium cobalt germanium sulfide (3/0.5/1/7)","","- Co0.5 Ge Nd3 S7 -","- Co0.5 Ge Nd3 S7 -","- Co Ge2 Nd6 S14 -","2","0.333333","","Iyer, Abishek K.; Yin, Wenlong; Lee, Emma J.; Lin, Xinsong; Mar, Arthur","Quaternary rare-earth sulfides RE 3 M 0.5 GeS 7 (RE=La‒Nd, Sm; M=Co, Ni) and Y 3 Pd 0.5 SiS 7","Journal of Solid State Chemistry","2017","250","","14","23","10.1016/j.jssc.2017.03.009","","","0.71073","MoKα","","0.0224","0.0206","","","0.0429","0.0435","","","","","","1.107","","","","has coordinates","262060","2021-02-18","09:59:59",""
"1560466","9.9742","0.0014","9.9742","0.0014","5.7393","0.0008","90","","90","","120","","494.48","0.12","296","2","296","2","","","","","","","","4","P 63","P 6c","173","samarium cobalt germanium sulfide (3/0.5/1/7)","samarium cobalt germanium sulfide (3/0.5/1/7)","","- Co0.5 Ge S7 Sm3 -","- Co0.5 Ge S7 Sm3 -","- Co Ge2 S14 Sm6 -","2","0.333333","","Iyer, Abishek K.; Yin, Wenlong; Lee, Emma J.; Lin, Xinsong; Mar, Arthur","Quaternary rare-earth sulfides RE 3 M 0.5 GeS 7 (RE=La‒Nd, Sm; M=Co, Ni) and Y 3 Pd 0.5 SiS 7","Journal of Solid State Chemistry","2017","250","","14","23","10.1016/j.jssc.2017.03.009","","","0.71073","MoKα","","0.0234","0.0196","","","0.0327","0.0335","","","","","","1.074","","","","has coordinates","262061","2021-02-18","10:02:35",""
"1560467","10.2983","0.0004","10.2983","0.0004","5.8078","0.0002","90","","90","","120","","533.42","0.03","296","2","296","2","","","","","","","","4","P 63","P 6c","173","lanthanum nickel germanium sulfide (3/0.5/1/7)","lanthanum nickel germanium sulfide (3/0.5/1/7)","","- Ge La3 Ni0.5 S7 -","- Ge La3 Ni0.5 S7 -","- Ge2 La6 Ni S14 -","2","0.333333","","Iyer, Abishek K.; Yin, Wenlong; Lee, Emma J.; Lin, Xinsong; Mar, Arthur","Quaternary rare-earth sulfides RE 3 M 0.5 GeS 7 (RE=La‒Nd, Sm; M=Co, Ni) and Y 3 Pd 0.5 SiS 7","Journal of Solid State Chemistry","2017","250","","14","23","10.1016/j.jssc.2017.03.009","","","0.71073","MoKα","","0.0233","0.0214","","","0.0398","0.0406","","","","","","1.175","","","","has coordinates","262062","2021-02-18","10:04:45",""
"1560468","10.2052","0.0013","10.2052","0.0013","5.7921","0.0007","90","","90","","120","","522.41","0.11","296","2","296","2","","","","","","","","4","P 63","P 6c","173","cerium nickel germanium sulfide (3/0.5/1/7)","cerium nickel germanium sulfide (3/0.5/1/7)","","- Ce3 Ge Ni0.5 S7 -","- Ce3 Ge Ni0.5 S7 -","- Ce6 Ge2 Ni S14 -","2","0.333333","","Iyer, Abishek K.; Yin, Wenlong; Lee, Emma J.; Lin, Xinsong; Mar, Arthur","Quaternary rare-earth sulfides RE 3 M 0.5 GeS 7 (RE=La‒Nd, Sm; M=Co, Ni) and Y 3 Pd 0.5 SiS 7","Journal of Solid State Chemistry","2017","250","","14","23","10.1016/j.jssc.2017.03.009","","","0.71073","MoKα","","0.0436","0.0328","","","0.0607","0.0639","","","","","","1.068","","","","has coordinates","262063","2021-02-18","10:06:53",""
"1560469","10.1303","0.0004","10.1303","0.0004","5.7752","0.0002","90","","90","","120","","513.27","0.03","296","2","296","2","","","","","","","","4","P 63","P 6c","173","praseodymium nickel germanium sulfide (3/0.5/1/7)","praseodymium nickel germanium sulfide (3/0.5/1/7)","","- Ge Ni0.5 Pr3 S7 -","- Ge Ni0.5 Pr3 S7 -","- Ge2 Ni Pr6 S14 -","2","0.333333","","Iyer, Abishek K.; Yin, Wenlong; Lee, Emma J.; Lin, Xinsong; Mar, Arthur","Quaternary rare-earth sulfides RE 3 M 0.5 GeS 7 (RE=La‒Nd, Sm; M=Co, Ni) and Y 3 Pd 0.5 SiS 7","Journal of Solid State Chemistry","2017","250","","14","23","10.1016/j.jssc.2017.03.009","","","0.71073","MoKα","","0.0209","0.0195","","","0.0394","0.04","","","","","","1.088","","","","has coordinates","262064","2021-02-18","10:09:15",""
"1560470","10.076","0.0003","10.076","0.0003","5.7605","0.0002","90","","90","","120","","506.49","0.03","296","2","296","2","","","","","","","","4","P 63","P 6c","173","neodymium nickel germanium sulfide (3/0.5/1/7)","neodymium nickel germanium sulfide (3/0.5/1/7)","","- Ge Nd3 Ni0.5 S7 -","- Ge Nd3 Ni0.5 S7 -","- Ge2 Nd6 Ni S14 -","2","0.333333","","Iyer, Abishek K.; Yin, Wenlong; Lee, Emma J.; Lin, Xinsong; Mar, Arthur","Quaternary rare-earth sulfides RE 3 M 0.5 GeS 7 (RE=La‒Nd, Sm; M=Co, Ni) and Y 3 Pd 0.5 SiS 7","Journal of Solid State Chemistry","2017","250","","14","23","10.1016/j.jssc.2017.03.009","","","0.71073","MoKα","","0.0131","0.0129","","","0.0298","0.0299","","","","","","1.104","","","","has coordinates","262065","2021-02-18","10:14:42",""
"1560471","9.9642","0.0008","9.9642","0.0008","5.7436","0.0005","90","","90","","120","","493.86","0.07","296","2","296","2","","","","","","","","4","P 63","P 6c","173","samarium nickel germanium sulfide (3/0.5/1/7)","samarium nickel germanium sulfide (3/0.5/1/7)","","- Ge Ni0.5 S7 Sm3 -","- Ge Ni0.5 S7 Sm3 -","- Ge2 Ni S14 Sm6 -","2","0.333333","","Iyer, Abishek K.; Yin, Wenlong; Lee, Emma J.; Lin, Xinsong; Mar, Arthur","Quaternary rare-earth sulfides RE 3 M 0.5 GeS 7 (RE=La‒Nd, Sm; M=Co, Ni) and Y 3 Pd 0.5 SiS 7","Journal of Solid State Chemistry","2017","250","","14","23","10.1016/j.jssc.2017.03.009","","","0.71073","MoKα","","0.0361","0.0301","","","0.0581","0.0599","","","","","","1.137","","","","has coordinates","262066","2021-02-18","10:18:05",""
"1560472","9.7891","0.0003","9.7891","0.0003","5.684","0.0004","90","","90","","120","","471.7","0.04","296","2","296","2","","","","","","","","4","P 63","P 6c","173","yttrium palladium silicon sulfide (3/0.5/1/7)","yttrium palladium silicon sulfide (3/0.5/1/7)","","- Pd0.5 S7 Si Y3 -","- Pd0.5 S7 Si Y3 -","- Pd S14 Si2 Y6 -","2","0.333333","","Iyer, Abishek K.; Yin, Wenlong; Lee, Emma J.; Lin, Xinsong; Mar, Arthur","Quaternary rare-earth sulfides RE 3 M 0.5 GeS 7 (RE=La‒Nd, Sm; M=Co, Ni) and Y 3 Pd 0.5 SiS 7","Journal of Solid State Chemistry","2017","250","","14","23","10.1016/j.jssc.2017.03.009","","","0.71073","MoKα","","0.0542","0.0413","","","0.102","0.1084","","","","","","1.117","","","","has coordinates","262067","2021-02-18","10:20:33",""
"1560473","9.5865","0.0006","14.4713","0.001","18.8006","0.0013","72.909","0.004","81.6","0.004","80.627","0.004","2446.4","0.3","296","2","296","2","","","","","","","","7","P -1","-P 1","2","","","","- C33 H30 Ag3 Cl N6 O8.5 S4 -","- C33 H30 Ag3 Cl N6 O8.5 S4 -","- C66 H60 Ag6 Cl2 N12 O17 S8 -","2","1","","Chen, Wen-Hua; Yan, Hao-Jie; Chen, Hui; Liu, Rui-Heng; Li, Ai-Min; Wang, Guo; Wan, Chong-Qing","Structure and properties of silver sulfate complexes derived from dipyridyl methylthio ligands with secondary donor site","Journal of Solid State Chemistry","2017","250","","24","31","10.1016/j.jssc.2017.03.012","","","0.71073","MoKα","","0.0968","0.0629","","","0.2017","0.2312","","","","","","1.07","","","","has coordinates","262068","2021-02-18","10:34:03",""
"1560474","18.1097","0.0017","13.7799","0.0013","13.7122","0.0013","90","","102.173","0.005","90","","3344.9","0.6","296","2","296","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C24 H40 Ag2 N4 O12 S3 -","- C24 H36 Ag2 N4 O12 S3 -","- C96 H144 Ag8 N16 O48 S12 -","4","1","","Chen, Wen-Hua; Yan, Hao-Jie; Chen, Hui; Liu, Rui-Heng; Li, Ai-Min; Wang, Guo; Wan, Chong-Qing","Structure and properties of silver sulfate complexes derived from dipyridyl methylthio ligands with secondary donor site","Journal of Solid State Chemistry","2017","250","","24","31","10.1016/j.jssc.2017.03.012","","","0.71073","MoKα","","0.0821","0.0721","","","0.1937","0.2017","","","","","","1.108","","","","has coordinates,has disorder","262069","2021-02-18","10:36:10",""
"1560475","9.2928","0.0003","12.4583","0.0004","14.6523","0.0005","94.773","0.002","107.039","0.002","101.15","0.002","1573.47","0.09","296","2","296","2","","","","","","","","6","P -1","-P 1","2","","","","- C22 H22 Ag2 N4 O5 S3 -","- C22 H20 Ag2 N4 O5 S3 -","- C44 H40 Ag4 N8 O10 S6 -","2","1","","Chen, Wen-Hua; Yan, Hao-Jie; Chen, Hui; Liu, Rui-Heng; Li, Ai-Min; Wang, Guo; Wan, Chong-Qing","Structure and properties of silver sulfate complexes derived from dipyridyl methylthio ligands with secondary donor site","Journal of Solid State Chemistry","2017","250","","24","31","10.1016/j.jssc.2017.03.012","","","0.71073","MoKα","","0.1149","0.0756","","","0.2328","0.2751","","","","","","1.039","","","","has coordinates","262070","2021-02-18","10:38:07",""
"1560476","9.3395","0.0006","17.348","0.001","19.9539","0.0012","96.923","0.004","95.561","0.004","98.648","0.004","3151","0.3","296","2","296","2","","","","","","","","6","P -1","-P 1","2","","","","- C44 H50 Ag4 N8 O13 S6 -","- C44 H40 Ag4 N8 O13 S6 -","- C88 H80 Ag8 N16 O26 S12 -","2","1","","Chen, Wen-Hua; Yan, Hao-Jie; Chen, Hui; Liu, Rui-Heng; Li, Ai-Min; Wang, Guo; Wan, Chong-Qing","Structure and properties of silver sulfate complexes derived from dipyridyl methylthio ligands with secondary donor site","Journal of Solid State Chemistry","2017","250","","24","31","10.1016/j.jssc.2017.03.012","","","0.71073","MoKα","","0.1045","0.0784","","","0.2479","0.278","","","","","","1.029","","","","has coordinates","262071","2021-02-18","10:40:23",""
"1560477","10.2293","0.0003","34.4803","0.001","10.7355","0.0003","90","","109.985","0.003","90","","3558.5","0.19","150","2","150","2","","","","","","","","5","P 1 21/m 1","-P 2yb","11","","","","- C21 H31 N13 O13 Zn3 -","- C21 H27 N13 O13 Zn3 -","- C84 H108 N52 O52 Zn12 -","4","1","","Wang, Xiao-Bing; Lu, Wen-Guan; Zhong, Di-Chang","Two Zinc(II) metal-organic frameworks with mixed ligands of 5-amino-tetrazolate and l,2,4,5-benzenetetracarboxylate: Synthesis, structural diversity and photoluminescent properties","Journal of Solid State Chemistry","2017","250","","83","89","10.1016/j.jssc.2016.11.005","","","0.71073","MoKα","","0.0866","0.0646","","","0.1332","0.1437","","","","","","1.091","","","","has coordinates,has disorder","262072","2021-02-18","10:47:17",""
"1560478","6.7278","0.0002","16.0335","0.0005","8.9985","0.0003","90","","108.883","0.004","90","","918.43","0.05","150","2","150","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C15 H17 N7 O9 Zn2 -","- C15 H17 N7 O9 Zn2 -","- C30 H34 N14 O18 Zn4 -","2","1","","Wang, Xiao-Bing; Lu, Wen-Guan; Zhong, Di-Chang","Two Zinc(II) metal-organic frameworks with mixed ligands of 5-amino-tetrazolate and l,2,4,5-benzenetetracarboxylate: Synthesis, structural diversity and photoluminescent properties","Journal of Solid State Chemistry","2017","250","","83","89","10.1016/j.jssc.2016.11.005","","","0.71073","MoKα","","0.035","0.0319","","","0.0645","0.0666","","","","","","1.021","","","","has coordinates","262072","2021-02-18","10:47:17",""
"1560479","16.7714","0.0008","16.7714","0.0008","14.4687","0.0014","90","","90","","120","","3524.5","0.4","130","2","130","2","","","","","","","","6","P -6 2 m","P -6 -2","189","","","","- C54 H30 Cr3 N6 O28 Zn3 -","- C54 H30 Cr3 N6 O28 Zn3 -","- C54 H30 Cr3 N6 O28 Zn3 -","1","0.0833333","","Xue, Chen; Yao, Zhi-Yuan; Liu, Shao-Xian; Luo, Hong-Bin; Zou, Yang; Li, Li; Ren, Xiao-Ming","Dielectric anomaly and relaxation natures in a Zn-Cr pillar−layered metal−organic framework with cages and channels","Journal of Solid State Chemistry","2017","250","","107","113","10.1016/j.jssc.2017.03.029","","","0.71073","MoKα","","0.067","0.0609","","","0.159","0.1638","","","","","","1.003","","","","has coordinates","262073","2021-02-18","10:54:06",""
"1560483","8.6717","0.0002","8.6717","0.0002","18.6492","0.0005","90","","90","","90","","1402.39","0.06","300","2","300","2","","","","","","","","5","P 4/m b m","-P 4 2ab","127","","","","- Ba3 Cl0.91 O14.09 Si4 Ti2 -","- Ba3 Cl0.911 O14.089 Si4 Ti2 -","- Ba12 Cl3.644 O56.356 Si16 Ti8 -","4","0.25","","Abeysinghe, Dileka; Smith, Mark D.; zur Loye, Hans-Conrad","A fresnoite-structure-related mixed valent titanium(III/IV) chlorosilicate, Ba3Ti2Si4O14Cl: A flux crystal growth route to Ti(III) containing oxides","Journal of Solid State Chemistry","2017","250","","128","133","10.1016/j.jssc.2017.03.026","","","0.71073","MoKα","","0.0189","0.0156","","","0.0337","0.0344","","","","","","1.215","","","","has coordinates","262089","2021-02-19","10:23:22",""
"1560484","11.0445","0.001","7.008","0.0006","4.9633","0.0005","90","","90","","90","","384.16","0.06","293","2","293","2","","","","","","","","4","P c a 21","P 2c -2ac","29","","","","- H O5 Te V -","- H O5 Te V -","- H4 O20 Te4 V4 -","4","1","","Liang, Ming-Li; Marsh, Matthew; Shang, Xian-Xing; Mao, Jiang-Gao; Albrecht-Schmitt, Thomas E.; Kong, Fang","New vanadium tellurites: Syntheses, structures, optical properties of noncentrosymmetric VTeO 4 (OH), centrosymmetric Ba 2 V 4 O 8 (Te 3 O 10 )","Journal of Solid State Chemistry","2017","249","","21","26","10.1016/j.jssc.2017.02.016","","","0.71073","MoKα","","0.0369","0.0352","","","0.0837","0.0853","","","","","","1.084","","","","has coordinates","262090","2021-02-19","10:43:38",""
"1560485","19.8104","0.0013","5.6194","0.0004","14.8167","0.001","90","","98.874","0.006","90","","1629.69","0.19","293","2","293","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- Ba2 O18 Te3 V4 -","- Ba2 O18 Te3 V4 -","- Ba8 O72 Te12 V16 -","4","0.5","","Liang, Ming-Li; Marsh, Matthew; Shang, Xian-Xing; Mao, Jiang-Gao; Albrecht-Schmitt, Thomas E.; Kong, Fang","New vanadium tellurites: Syntheses, structures, optical properties of noncentrosymmetric VTeO 4 (OH), centrosymmetric Ba 2 V 4 O 8 (Te 3 O 10 )","Journal of Solid State Chemistry","2017","249","","21","26","10.1016/j.jssc.2017.02.016","","","0.71073","MoKα","","0.0283","0.0221","","","0.042","0.0446","","","","","","1.039","","","","has coordinates","262090","2021-02-19","10:43:40",""
"1560505","27.1271","0.0004","10.7513","0.0002","21.5858","0.0005","90","","123.496","0.0008","90","","5249.97","0.18","295","","295","","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C25 H33 Cu2 N3 O5 -","- C25 H33 Cu2 N3 O5 -","- C200 H264 Cu16 N24 O40 -","8","1","","Paul, Aparup; Bertolasi, Valerio; Figuerola, Albert; Manna, Subal Chandra","Structural and magnetic characterization of three tetranuclear Cu(II) complexes with face-sharing-dicubane/double-open-cubane like core framework","Journal of Solid State Chemistry","2017","249","","29","38","10.1016/j.jssc.2017.02.009","","","0.71073","MoKα","","0.0654","0.042","","","0.1074","0.1169","","","","","","1.051","","","","has coordinates","262125","2021-02-22","08:02:58",""
"1560506","8.751","0.0004","11.3271","0.0005","12.3969","0.0006","105.063","0.002","97.907","0.002","106.441","0.0016","1108.12","0.09","295","","295","","","","","","","","","5","P -1","-P 1","2","","","","- C22 H26 Cu2 N2 O4 -","- C22 H26 Cu2 N2 O4 -","- C44 H52 Cu4 N4 O8 -","2","1","","Paul, Aparup; Bertolasi, Valerio; Figuerola, Albert; Manna, Subal Chandra","Structural and magnetic characterization of three tetranuclear Cu(II) complexes with face-sharing-dicubane/double-open-cubane like core framework","Journal of Solid State Chemistry","2017","249","","29","38","10.1016/j.jssc.2017.02.009","","","0.71073","MoKα","","0.0648","0.0475","","","0.1343","0.1522","","","","","","1.027","","","","has coordinates,has disorder","262125","2021-02-22","08:03:01",""
"1560507","12.2348","0.0002","12.9403","0.0002","22.5308","0.0006","96.1084","0.0007","93.0039","0.0008","110.443","0.0009","3308.1","0.12","295","","295","","","","","","","","","6","P -1","-P 1","2","","","","- C48 H78 Cl2 Cu4 N4 O28 -","- C48 H62 Cl2 Cu4 N4 O28 -","- C96 H124 Cl4 Cu8 N8 O56 -","2","1","","Paul, Aparup; Bertolasi, Valerio; Figuerola, Albert; Manna, Subal Chandra","Structural and magnetic characterization of three tetranuclear Cu(II) complexes with face-sharing-dicubane/double-open-cubane like core framework","Journal of Solid State Chemistry","2017","249","","29","38","10.1016/j.jssc.2017.02.009","","","0.71073","MoKα","","0.1141","0.0726","","","0.2007","0.2455","","","","","","1.021","","","","has coordinates,has disorder","262125","2021-02-22","08:03:05",""
"1560508","6.9891","0.0003","6.8356","0.0002","11.9257","0.0005","90","","100.351","0.002","90","","560.47","0.04","296","2","296","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- H O6 Sr Te V -","- H O6 Sr Te V -","- H4 O24 Sr4 Te4 V4 -","4","1","","Konatham, Satish; Vidyasagar, Kanamaluru","Syntheses and structural characterization of vanado-tellurites and vanadyl-selenites: SrVTeO 5 (OH), Cd 2 V 2 Te 2 O 11 , Ca 3 VSe 4 O 13 ·H 2 O and Ba 2 VSe 3 O 10","Journal of Solid State Chemistry","2017","249","","39","45","10.1016/j.jssc.2017.02.017","","","0.71073","MoKα","","0.0388","0.0272","","","0.0519","0.0544","","","","","","1.067","","","","has coordinates","262126","2021-02-22","08:09:14",""
"1560509","5.3673","0.0003","5.7139","0.0003","9.0124","0.0005","80.268","0.003","73.866","0.003","78.544","0.003","258.31","0.02","296","2","296","2","","","","","","","","4","P -1","-P 1","2","","","","- Cd2 O11 Te2 V2 -","- Cd2 O11 Te2 V2 -","- Cd2 O11 Te2 V2 -","1","0.5","","Konatham, Satish; Vidyasagar, Kanamaluru","Syntheses and structural characterization of vanado-tellurites and vanadyl-selenites: SrVTeO 5 (OH), Cd 2 V 2 Te 2 O 11 , Ca 3 VSe 4 O 13 ·H 2 O and Ba 2 VSe 3 O 10","Journal of Solid State Chemistry","2017","249","","39","45","10.1016/j.jssc.2017.02.017","","","0.71073","MoKα","","0.0509","0.0347","","","0.0694","0.0769","","","","","","1.059","","","","has coordinates","262126","2021-02-22","08:09:14",""
"1560510","12.5856","0.0004","5.3137","0.0001","20.0702","0.0006","90","","97.409","0.001","90","","1331.01","0.06","293","2","293","2","","","","","","","","5","C 1 c 1","C -2yc","9","","","","- Ca3 H2 O14 Se4 V -","- Ca3 O14 Se4 V -","- Ca12 O56 Se16 V4 -","4","1","","Konatham, Satish; Vidyasagar, Kanamaluru","Syntheses and structural characterization of vanado-tellurites and vanadyl-selenites: SrVTeO 5 (OH), Cd 2 V 2 Te 2 O 11 , Ca 3 VSe 4 O 13 ·H 2 O and Ba 2 VSe 3 O 10","Journal of Solid State Chemistry","2017","249","","39","45","10.1016/j.jssc.2017.02.017","","","0.71073","MoKα","","0.0345","0.0301","","","0.0707","0.0739","","","","","","1.054","","","","has coordinates","262126","2021-02-22","08:09:14",""
"1560511","16.2799","0.0005","5.3489","0.0002","11.6559","0.0005","90","","90","","90","","1014.99","0.07","293","2","293","2","","","","","","","","4","P n m a","-P 2ac 2n","62","","","","- Ba2 O10 Se3 V -","- Ba2 O10 Se3 V -","- Ba8 O40 Se12 V4 -","4","0.5","","Konatham, Satish; Vidyasagar, Kanamaluru","Syntheses and structural characterization of vanado-tellurites and vanadyl-selenites: SrVTeO 5 (OH), Cd 2 V 2 Te 2 O 11 , Ca 3 VSe 4 O 13 ·H 2 O and Ba 2 VSe 3 O 10","Journal of Solid State Chemistry","2017","249","","39","45","10.1016/j.jssc.2017.02.017","","","0.71073","MoKα","","0.0705","0.057","","","0.1065","0.1134","","","","","","1.13","","","","has coordinates","262126","2021-02-22","08:09:14",""
"1560512","7.7419","0.0012","22.187","0.003","18.557","0.003","90","","100.744","0.003","90","","3131.6","0.8","296","2","296","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C28 H29 N5 O9 S Zn -","- C28 H29 N5 O9 S Zn -","- C112 H116 N20 O36 S4 Zn4 -","4","1","","Wang, Xiu-Li; Wu, Xiao-Mei; Liu, Guo-Cheng; Li, Qiao-Min; Lin, Hong-Yan; Wang, Xiang","Four thiophene-pyridyl-amide-based Zn II /Cd II coordination polymers: Assembly, structures, photocatalytic properties and fluorescent recognition for Fe 3+","Journal of Solid State Chemistry","2017","249","","51","57","10.1016/j.jssc.2017.02.018","","","0.71073","MoKα","","0.0868","0.0525","","","0.1452","0.1629","","","","","","1","","","","has coordinates","262127","2021-02-22","08:24:34",""
"1560513","9.8024","0.0007","10.0581","0.0011","12.584","0.0009","106.342","0.001","99.476","0.001","96.511","0.001","1157.49","0.17","296","2","296","2","","","","","","","","6","P -1","-P 1","2","","","","- C25 H18 N4 O6 S Zn -","- C25 H18 N4 O6 S Zn -","- C50 H36 N8 O12 S2 Zn2 -","2","1","","Wang, Xiu-Li; Wu, Xiao-Mei; Liu, Guo-Cheng; Li, Qiao-Min; Lin, Hong-Yan; Wang, Xiang","Four thiophene-pyridyl-amide-based Zn II /Cd II coordination polymers: Assembly, structures, photocatalytic properties and fluorescent recognition for Fe 3+","Journal of Solid State Chemistry","2017","249","","51","57","10.1016/j.jssc.2017.02.018","","","0.71073","MoKα","","0.0351","0.0311","","","0.0792","0.0816","","","","","","1","","","","has coordinates","262127","2021-02-22","08:24:41",""
"1560514","8.2","0.003","29.602","0.011","10.307","0.004","90","","100.392","0.007","90","","2460.8","1.6","296","2","296","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C24 H20 Cd N4 O8 S -","- C24 H18 Cd N4 O8 S -","- C96 H72 Cd4 N16 O32 S4 -","4","1","","Wang, Xiu-Li; Wu, Xiao-Mei; Liu, Guo-Cheng; Li, Qiao-Min; Lin, Hong-Yan; Wang, Xiang","Four thiophene-pyridyl-amide-based Zn II /Cd II coordination polymers: Assembly, structures, photocatalytic properties and fluorescent recognition for Fe 3+","Journal of Solid State Chemistry","2017","249","","51","57","10.1016/j.jssc.2017.02.018","","","0.71073","MoKα","","0.1062","0.0683","","","0.1607","0.1792","","","","","","1","","","","has coordinates","262127","2021-02-22","08:24:41",""
"1560515","10.8309","0.0007","24.9357","0.0016","10.3484","0.0007","90","","90.238","0.001","90","","2794.8","0.3","296","2","296","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C25 H26 Cd N4 O10 S -","- C25 H24 Cd N4 O10 S -","- C100 H96 Cd4 N16 O40 S4 -","4","1","","Wang, Xiu-Li; Wu, Xiao-Mei; Liu, Guo-Cheng; Li, Qiao-Min; Lin, Hong-Yan; Wang, Xiang","Four thiophene-pyridyl-amide-based Zn II /Cd II coordination polymers: Assembly, structures, photocatalytic properties and fluorescent recognition for Fe 3+","Journal of Solid State Chemistry","2017","249","","51","57","10.1016/j.jssc.2017.02.018","","","0.71073","MoKα","","0.0659","0.0407","","","0.0871","0.0971","","","","","","1","","","","has coordinates","262127","2021-02-22","08:24:41",""
"1560516","7.809","0.0003","12.353","0.0005","18.497","0.0008","90","","95.18","0.002","90","","1777.02","0.13","298","2","298","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C13 H18 Cu N5 S3 -","- C13 H18 Cu N5 S3 -","- C52 H72 Cu4 N20 S12 -","4","1","","Beheshti, Azizolla; Nozarian, Kimia; Babadi, Susan Soleymani; Noorizadeh, Siamak; Motamedi, Hossein; Mayer, Peter; Bruno, Giuseppe; Rudbari, Hadi Amiri","Structural variability in Cu(I) and Ag(I) coordination polymers with a flexible dithione ligand: Synthesis, crystal structure, microbiological and theoretical studies","Journal of Solid State Chemistry","2017","249","","70","79","10.1016/j.jssc.2016.12.013","","","0.71073","MoKα","","0.0286","0.0247","","","0.0661","0.0685","","","","","","1.033","","","","has coordinates","262128","2021-02-22","08:34:25",""
"1560517","13.7494","0.0013","17.4476","0.0015","7.2151","0.0006","90","","97.615","0.002","90","","1715.6","0.3","173","2","173","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C12 H18 Ag Cl N4 O4 S2 -","- C12 H18 Ag Cl N4 O4 S2 -","- C48 H72 Ag4 Cl4 N16 O16 S8 -","4","1","","Beheshti, Azizolla; Nozarian, Kimia; Babadi, Susan Soleymani; Noorizadeh, Siamak; Motamedi, Hossein; Mayer, Peter; Bruno, Giuseppe; Rudbari, Hadi Amiri","Structural variability in Cu(I) and Ag(I) coordination polymers with a flexible dithione ligand: Synthesis, crystal structure, microbiological and theoretical studies","Journal of Solid State Chemistry","2017","249","","70","79","10.1016/j.jssc.2016.12.013","","","0.71073","MoKα","","0.1027","0.065","","","0.0776","0.0854","","","","","","1.174","","","","has coordinates","262128","2021-02-22","08:34:26",""
"1560518","16.678","0.002","16.269","0.002","18.344","0.002","90","","106.847","0.002","90","","4763.7","1","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C54 H40 N2 O13 Zn2 -","- C54 H40 N2 O13 Zn2 -","- C216 H160 N8 O52 Zn8 -","4","1","","Wang, Jun; Bai, Chao; Hu, Huai-Ming; Yuan, Fei; Xue, Gang-Lin","A family of entangled coordination polymers constructed from a flexible V-shaped long bicarboxylic acid and auxiliary N-donor ligands: Luminescent sensing","Journal of Solid State Chemistry","2017","249","","87","97","10.1016/j.jssc.2017.02.015","","","0.71073","MoKα","","0.1123","0.0585","","","0.1007","0.1201","","","","","","1.047","","","","has coordinates","262129","2021-02-22","08:45:16",""
"1560519","16.433","0.007","16.234","0.007","19.18","0.008","90","","108.113","0.008","90","","4863","4","296","2","296","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C56 H42 N2 O13 Zn2 -","- C56 H40 N2 O13 Zn2 -","- C224 H160 N8 O52 Zn8 -","4","1","","Wang, Jun; Bai, Chao; Hu, Huai-Ming; Yuan, Fei; Xue, Gang-Lin","A family of entangled coordination polymers constructed from a flexible V-shaped long bicarboxylic acid and auxiliary N-donor ligands: Luminescent sensing","Journal of Solid State Chemistry","2017","249","","87","97","10.1016/j.jssc.2017.02.015","","","0.71073","MoKα","","0.1718","0.0881","","","0.214","0.2785","","","","","","1.012","","","","has coordinates","262130","2021-02-22","08:46:44",""
"1560520","8.6462","0.0011","10.8124","0.0014","16.269","0.002","79.092","0.002","81.104","0.002","75.777","0.002","1438.3","0.3","296","2","296","2","","","","","","","","5","P -1","-P 1","2","","","","- C34 H26 N2 O7 Zn -","- C34 H26 N2 O7 Zn -","- C68 H52 N4 O14 Zn2 -","2","1","","Wang, Jun; Bai, Chao; Hu, Huai-Ming; Yuan, Fei; Xue, Gang-Lin","A family of entangled coordination polymers constructed from a flexible V-shaped long bicarboxylic acid and auxiliary N-donor ligands: Luminescent sensing","Journal of Solid State Chemistry","2017","249","","87","97","10.1016/j.jssc.2017.02.015","","","0.71073","MoKα","","0.0596","0.0446","","","0.1085","0.1168","","","","","","1.035","","","","has coordinates","279031","2022-11-07","10:58:29",""
"1560521","11.2682","0.001","16.4077","0.0015","19.0071","0.0017","90.78","0.002","101.488","0.002","95.103","0.002","3428.3","0.5","298","2","298","2","","","","","","","","5","P -1","-P 1","2","","","","- C76 H56 N2 O18 Zn3 -","- C76 H56 N2 O18 Zn3 -","- C152 H112 N4 O36 Zn6 -","2","1","","Wang, Jun; Bai, Chao; Hu, Huai-Ming; Yuan, Fei; Xue, Gang-Lin","A family of entangled coordination polymers constructed from a flexible V-shaped long bicarboxylic acid and auxiliary N-donor ligands: Luminescent sensing","Journal of Solid State Chemistry","2017","249","","87","97","10.1016/j.jssc.2017.02.015","","","0.71073","MoKα","","0.1474","0.1102","","","0.3142","0.3435","","","","","","1.221","","","","has coordinates","262131","2021-02-22","08:49:59",""
"1560522","14.6653","0.0019","17.024","0.002","19.986","0.003","104.956","0.002","94.751","0.002","92.754","0.002","4791.6","1.1","296","2","296","2","","","","","","","","5","P -1","-P 1","2","","","","- C108 H84 N4 O28 Zn4 -","- C108 H80 N4 O28 Zn4 -","- C216 H160 N8 O56 Zn8 -","2","1","","Wang, Jun; Bai, Chao; Hu, Huai-Ming; Yuan, Fei; Xue, Gang-Lin","A family of entangled coordination polymers constructed from a flexible V-shaped long bicarboxylic acid and auxiliary N-donor ligands: Luminescent sensing","Journal of Solid State Chemistry","2017","249","","87","97","10.1016/j.jssc.2017.02.015","","","0.71073","MoKα","","0.1848","0.0724","","","0.157","0.2067","","","","","","1.061","","","","has coordinates","262131","2021-02-22","08:49:59",""
"1560523","15.618","0.005","30.821","0.011","21.761","0.007","90","","111.029","0.009","90","","9777","6","296","2","296","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C114 H92 N4 O24 Zn4 -","- C114 H92 N4 O24 Zn4 -","- C456 H368 N16 O96 Zn16 -","4","1","","Wang, Jun; Bai, Chao; Hu, Huai-Ming; Yuan, Fei; Xue, Gang-Lin","A family of entangled coordination polymers constructed from a flexible V-shaped long bicarboxylic acid and auxiliary N-donor ligands: Luminescent sensing","Journal of Solid State Chemistry","2017","249","","87","97","10.1016/j.jssc.2017.02.015","","","0.71073","MoKα","","0.2457","0.092","","","0.1877","0.2312","","","","","","1.057","","","","has coordinates","262132","2021-02-22","08:54:30",""
"1560524","8.327","0.01","11.049","0.013","13.902","0.016","70.07","0.02","83.13","0.02","78.23","0.02","1175","2","296","2","296","2","","","","","","","","5","P -1","-P 1","2","","","","- C54 H46 N4 O12 Zn2 -","- C54 H46 N4 O12 Zn2 -","- C54 H46 N4 O12 Zn2 -","1","0.5","","Wang, Jun; Bai, Chao; Hu, Huai-Ming; Yuan, Fei; Xue, Gang-Lin","A family of entangled coordination polymers constructed from a flexible V-shaped long bicarboxylic acid and auxiliary N-donor ligands: Luminescent sensing","Journal of Solid State Chemistry","2017","249","","87","97","10.1016/j.jssc.2017.02.015","","","0.71073","MoKα","","0.1683","0.0747","","","0.1266","0.1546","","","","","","1.002","","","","has coordinates","262132","2021-02-22","08:54:30",""
"1560525","19.613","0.013","8.337","0.005","30.594","0.016","90","","92.547","0.016","90","","4998","5","296","2","296","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C216 H184 N16 O48 Zn8 -","- C216 H184 N16 O48 Zn8 -","- C216 H184 N16 O48 Zn8 -","1","0.125","","Wang, Jun; Bai, Chao; Hu, Huai-Ming; Yuan, Fei; Xue, Gang-Lin","A family of entangled coordination polymers constructed from a flexible V-shaped long bicarboxylic acid and auxiliary N-donor ligands: Luminescent sensing","Journal of Solid State Chemistry","2017","249","","87","97","10.1016/j.jssc.2017.02.015","","","0.71073","MoKα","","0.0734","0.0472","","","0.12","0.145","","","","","","1.021","","","","has coordinates","262132","2021-02-22","08:54:31",""
"1560526","14.813","0.001","5.5418","0.0003","15.0593","0.0009","90","","90.93","0.002","90","","1236.07","0.13","293","2","293","2","","","","","","","","3","C 1 2/m 1","-C 2y","12","","","","- Al4 B2 O9 -","- Al4 B2 O9 -","- Al32 B16 O72 -","8","1","","Zhao, Haishuang; Krysiak, Yaşar; Hoffmann, Kristin; Barton, Bastian; Molina-Luna, Leopoldo; Neder, Reinhard B.; Kleebe, Hans-Joachim; Gesing, Thorsten M.; Schneider, Hartmut; Fischer, Reinhard X.; Kolb, Ute","Elucidating structural order and disorder phenomena in mullite-type Al 4 B 2 O 9 by automated electron diffraction tomography","Journal of Solid State Chemistry","2017","249","","114","123","10.1016/j.jssc.2017.02.023","","","0.0197","","","0.2961","0.2873","","","0.569","0.5768","","","","","","4.486","","","","has coordinates","262133","2021-02-22","09:02:03",""
"1560540","5.0863","0.0003","13.6215","0.001","14.6061","0.001","62.638","0.002","83.865","0.002","84.883","0.002","892.67","0.11","173","2","173","2","","","","","","","","6","P -1","-P 1","2","","","","- C12 H14 Co2 N2 O13 P2 -","- C12 H14 Co2 N2 O13 P2 -","- C24 H28 Co4 N4 O26 P4 -","2","1","","Wang, Chaonan; Feng, Pingjing; Li, Jintang; Luo, Xuetao","Synthesis, crystal structures and luminescence properties of two metal carboxyphosphonates","Journal of Solid State Chemistry","2017","249","","136","140","10.1016/j.jssc.2017.02.019","","","0.71073","MoKα","","0.055","0.041","","","0.1178","0.1255","","","","","","1.053","","","","has coordinates","262144","2021-02-23","07:43:49",""
"1560541","8.093","0.004","11.551","0.006","12.407","0.006","69.409","0.007","83.441","0.008","73.976","0.008","1043.4","0.9","273","2","273","2","","","","","","","","5","P -1","-P 1","2","","","","- C16 H16 O14 P2 Zn3 -","- C16 H16 O14 P2 Zn3 -","- C32 H32 O28 P4 Zn6 -","2","1","","Wang, Chaonan; Feng, Pingjing; Li, Jintang; Luo, Xuetao","Synthesis, crystal structures and luminescence properties of two metal carboxyphosphonates","Journal of Solid State Chemistry","2017","249","","136","140","10.1016/j.jssc.2017.02.019","","","0.71073","MoKα","","0.0497","0.0476","","","0.1271","0.129","","","","","","1.12","","","","has coordinates,has disorder","262144","2021-02-23","07:43:49",""
"1560542","15.267","0.005","14.955","0.005","16.819","0.005","90","","107.006","0.005","90","","3672","2","296","","296","","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C36 H36 Co N4 O8 -","- C36 H36 Co N4 O8 -","- C144 H144 Co4 N16 O32 -","4","0.5","","Arıcı, Mürsel; Zafer Yeşilel, Okan; Büyükgüngör, Orhan","Four coordination polymers based on 5- tert -butyl isophthalic acid and rigid bis(imidazol-1yl)benzene linkers: Synthesis, luminescence detection of acetone and optical properties","Journal of Solid State Chemistry","2017","249","","141","148","10.1016/j.jssc.2017.02.028","","","0.71069","MoKα","","0.0662","0.0516","","","0.1388","0.1473","","","","","","1.023","","","","has coordinates","262145","2021-02-23","07:50:02",""
"1560543","10.1585","0.0012","9.4462","0.0008","14.0641","0.0018","90","","100.612","0.01","90","","1326.5","0.3","296","","296","","","","","","","","","5","P 1 2/n 1","-P 2yac","13","","","","- C25 H23 Co N4 O4 -","- C25 H23 Co N4 O4 -","- C50 H46 Co2 N8 O8 -","2","0.5","","Arıcı, Mürsel; Zafer Yeşilel, Okan; Büyükgüngör, Orhan","Four coordination polymers based on 5- tert -butyl isophthalic acid and rigid bis(imidazol-1yl)benzene linkers: Synthesis, luminescence detection of acetone and optical properties","Journal of Solid State Chemistry","2017","249","","141","148","10.1016/j.jssc.2017.02.028","","","0.71073","MoKα","","0.1668","0.0961","","","0.2312","0.2745","","","","","","1.087","","","","has coordinates,has disorder","262146","2021-02-23","07:51:06",""
"1560544","9.8556","0.0002","13.2219","0.0003","17.8213","0.0005","108.644","0.002","92.555","0.002","100.285","0.002","2152.16","0.1","296","","296","","","","","","","","","5","P -1","-P 1","2","","","","- C45 H45 N6 O8 Zn2 -","- C45 H45 N6 O8 Zn2 -","- C90 H90 N12 O16 Zn4 -","2","1","","Arıcı, Mürsel; Zafer Yeşilel, Okan; Büyükgüngör, Orhan","Four coordination polymers based on 5- tert -butyl isophthalic acid and rigid bis(imidazol-1yl)benzene linkers: Synthesis, luminescence detection of acetone and optical properties","Journal of Solid State Chemistry","2017","249","","141","148","10.1016/j.jssc.2017.02.028","","","0.71073","MoKα","","0.039","0.0307","","","0.0756","0.0787","","","","","","1.016","","","","has coordinates,has disorder","262147","2021-02-23","07:52:05",""
"1560545","8.4661","0.0005","10.0735","0.0007","12.043","0.0008","78.364","0.005","75.838","0.005","65.761","0.005","902.08","0.11","296","","296","","","","","","","","","5","P -1","-P 1","2","","","","- C18 H19 Cd N2 O5 -","- C18 H19 Cd N2 O5 -","- C36 H38 Cd2 N4 O10 -","2","1","","Arıcı, Mürsel; Zafer Yeşilel, Okan; Büyükgüngör, Orhan","Four coordination polymers based on 5- tert -butyl isophthalic acid and rigid bis(imidazol-1yl)benzene linkers: Synthesis, luminescence detection of acetone and optical properties","Journal of Solid State Chemistry","2017","249","","141","148","10.1016/j.jssc.2017.02.028","","","0.71073","MoKα","","0.0208","0.0194","","","0.0471","0.0476","","","","","","1.073","","","","has coordinates,has disorder","262148","2021-02-23","07:53:14",""
"1560546","9.1655","0.0009","9.1655","0.0009","7.0266","0.0013","90","","90","","120","","511.2","0.12","200","2","200","2","","","","","","","","4","P 63 m c","P 6c -2c","186","","","","- Al Ca3 Na3 P4 -","- Al Ca3 Na3 P4 -","- Al2 Ca6 Na6 P8 -","2","0.166667","","Wang, Yi; Suen, Nian-Tzu; Kunene, Thabiso; Stoyko, Stanislav; Bobev, Svilen","Synthesis and structural characterization of the Zintl phases Na3Ca3TrPn4, Na3Sr3TrPn4, and Na3Eu3TrPn4 (Tr=Al, Ga, In; Pn=P, As, Sb)","Journal of Solid State Chemistry","2017","249","","160","168","10.1016/j.jssc.2017.02.026","","","0.71073","MoKα","","0.0575","0.043","","","0.0827","0.0882","","","","","","1.054","","","","has coordinates","262149","2021-02-23","08:04:31",""
"1560547","9.174","0.002","9.174","0.002","7.035","0.004","90","","90","","120","","512.8","0.3","200","2","200","2","","","","","","","","4","P 63 m c","P 6c -2c","186","","","","- Ca3 Ga Na3 P4 -","- Ca3 Ga Na3 P4 -","- Ca6 Ga2 Na6 P8 -","2","0.166667","","Wang, Yi; Suen, Nian-Tzu; Kunene, Thabiso; Stoyko, Stanislav; Bobev, Svilen","Synthesis and structural characterization of the Zintl phases Na3Ca3TrPn4, Na3Sr3TrPn4, and Na3Eu3TrPn4 (Tr=Al, Ga, In; Pn=P, As, Sb)","Journal of Solid State Chemistry","2017","249","","160","168","10.1016/j.jssc.2017.02.026","","","0.71073","MoKα","","0.0738","0.0504","","","0.0838","0.0905","","","","","","1.079","","","","has coordinates","262149","2021-02-23","08:04:32",""
"1560548","9.358","0.0003","9.358","0.0003","7.1477","0.0005","90","","90","","120","","542.08","0.05","200","2","200","2","","","","","","","","4","P 63 m c","P 6c -2c","186","","","","- Ca3 In Na3 P4 -","- Ca3 In Na3 P4 -","- Ca6 In2 Na6 P8 -","2","0.166667","","Wang, Yi; Suen, Nian-Tzu; Kunene, Thabiso; Stoyko, Stanislav; Bobev, Svilen","Synthesis and structural characterization of the Zintl phases Na3Ca3TrPn4, Na3Sr3TrPn4, and Na3Eu3TrPn4 (Tr=Al, Ga, In; Pn=P, As, Sb)","Journal of Solid State Chemistry","2017","249","","160","168","10.1016/j.jssc.2017.02.026","","","0.71073","MoKα","","0.0271","0.0261","","","0.079","0.0798","","","","","","1.188","","","","has coordinates","262149","2021-02-23","08:04:32",""
"1560549","9.3222","0.0004","9.3222","0.0004","7.288","0.0006","90","","90","","120","","548.5","0.06","200","2","200","2","","","","","","","","4","P 63 m c","P 6c -2c","186","","","","- Al Eu2.88 Na3.12 P4 -","- Al Eu2.877 Na3.123 P4 -","- Al2 Eu5.754 Na6.246 P8 -","2","0.166667","","Wang, Yi; Suen, Nian-Tzu; Kunene, Thabiso; Stoyko, Stanislav; Bobev, Svilen","Synthesis and structural characterization of the Zintl phases Na3Ca3TrPn4, Na3Sr3TrPn4, and Na3Eu3TrPn4 (Tr=Al, Ga, In; Pn=P, As, Sb)","Journal of Solid State Chemistry","2017","249","","160","168","10.1016/j.jssc.2017.02.026","","","0.71073","MoKα","","0.0094","0.0092","","","0.0209","0.0209","","","","","","1.08","","","","has coordinates","262149","2021-02-23","08:04:32",""
"1560550","9.4959","0.0012","9.4959","0.0012","7.3505","0.0018","90","","90","","120","","574.01","0.17","200","2","200","2","","","","","","","","4","P 63 m c","P 6c -2c","186","","","","- Eu2.6 In Na3.4 P4 -","- Eu2.598 In Na3.402 P4 -","- Eu5.196 In2 Na6.804 P8 -","2","0.166667","","Wang, Yi; Suen, Nian-Tzu; Kunene, Thabiso; Stoyko, Stanislav; Bobev, Svilen","Synthesis and structural characterization of the Zintl phases Na3Ca3TrPn4, Na3Sr3TrPn4, and Na3Eu3TrPn4 (Tr=Al, Ga, In; Pn=P, As, Sb)","Journal of Solid State Chemistry","2017","249","","160","168","10.1016/j.jssc.2017.02.026","","","0.71073","MoKα","","0.0688","0.0533","","","0.1295","0.135","","","","","","1.147","","","","has coordinates","262149","2021-02-23","08:04:32",""
"1560551","9.5114","0.0008","9.5114","0.0008","7.4365","0.0012","90","","90","","120","","582.62","0.12","200","2","200","2","","","","","","","","4","P 63 m c","P 6c -2c","186","","","","- In Na3.25 P4 Sr2.75 -","- In Na3.261 P4 Sr2.739 -","- In2 Na6.522 P8 Sr5.478 -","2","0.166667","","Wang, Yi; Suen, Nian-Tzu; Kunene, Thabiso; Stoyko, Stanislav; Bobev, Svilen","Synthesis and structural characterization of the Zintl phases Na3Ca3TrPn4, Na3Sr3TrPn4, and Na3Eu3TrPn4 (Tr=Al, Ga, In; Pn=P, As, Sb)","Journal of Solid State Chemistry","2017","249","","160","168","10.1016/j.jssc.2017.02.026","","","0.71073","MoKα","","0.0403","0.0366","","","0.0887","0.0897","","","","","","1.097","","","","has coordinates","262149","2021-02-23","08:04:32",""
"1560552","9.4069","0.0009","9.4069","0.0009","7.2039","0.0014","90","","90","","120","","552.07","0.13","200","2","200","2","","","","","","","","4","P 63 m c","P 6c -2c","186","","","","- As4 Ca2.85 Ga Na3.15 -","- As4 Ca2.865 Ga Na3.135 -","- As8 Ca5.73 Ga2 Na6.27 -","2","0.166667","","Wang, Yi; Suen, Nian-Tzu; Kunene, Thabiso; Stoyko, Stanislav; Bobev, Svilen","Synthesis and structural characterization of the Zintl phases Na3Ca3TrPn4, Na3Sr3TrPn4, and Na3Eu3TrPn4 (Tr=Al, Ga, In; Pn=P, As, Sb)","Journal of Solid State Chemistry","2017","249","","160","168","10.1016/j.jssc.2017.02.026","","","0.71073","MoKα","","0.0366","0.0306","","","0.0505","0.0522","","","","","","1.1","","","","has coordinates","262149","2021-02-23","08:04:32",""
"1560553","9.5621","0.0007","9.5621","0.0007","7.4418","0.0011","90","","90","","120","","589.27","0.11","200","2","200","2","","","","","","","","4","P 63 m c","P 6c -2c","186","","","","- Al As4 Eu2.9 Na3.1 -","- Al As4 Eu2.907 Na3.093 -","- Al2 As8 Eu5.814 Na6.186 -","2","0.166667","","Wang, Yi; Suen, Nian-Tzu; Kunene, Thabiso; Stoyko, Stanislav; Bobev, Svilen","Synthesis and structural characterization of the Zintl phases Na3Ca3TrPn4, Na3Sr3TrPn4, and Na3Eu3TrPn4 (Tr=Al, Ga, In; Pn=P, As, Sb)","Journal of Solid State Chemistry","2017","249","","160","168","10.1016/j.jssc.2017.02.026","","","0.71073","MoKα","","0.0396","0.0299","","","0.0488","0.0522","","","","","","1.06","","","","has coordinates","262149","2021-02-23","08:04:32",""
"1560554","9.5566","0.0012","9.5566","0.0012","7.4319","0.0019","90","","90","","120","","587.81","0.18","200","2","200","2","","","","","","","","4","P 63 m c","P 6c -2c","186","","","","- As4 Eu2.9 Ga Na3.1 -","- As4 Eu2.907 Ga Na3.093 -","- As8 Eu5.814 Ga2 Na6.186 -","2","0.166667","","Wang, Yi; Suen, Nian-Tzu; Kunene, Thabiso; Stoyko, Stanislav; Bobev, Svilen","Synthesis and structural characterization of the Zintl phases Na3Ca3TrPn4, Na3Sr3TrPn4, and Na3Eu3TrPn4 (Tr=Al, Ga, In; Pn=P, As, Sb)","Journal of Solid State Chemistry","2017","249","","160","168","10.1016/j.jssc.2017.02.026","","","0.71073","MoKα","","0.0424","0.0328","","","0.0693","0.0731","","","","","","1.072","","","","has coordinates","262149","2021-02-23","08:04:32",""
"1560555","9.7426","0.0012","9.7426","0.0012","7.605","0.002","90","","90","","120","","625.1","0.2","200","2","200","2","","","","","","","","4","P 63 m c","P 6c -2c","186","","","","- As4 In Na3.34 Sr2.66 -","- As4 In Na3.342 Sr2.658 -","- As8 In2 Na6.684 Sr5.316 -","2","0.166667","","Wang, Yi; Suen, Nian-Tzu; Kunene, Thabiso; Stoyko, Stanislav; Bobev, Svilen","Synthesis and structural characterization of the Zintl phases Na3Ca3TrPn4, Na3Sr3TrPn4, and Na3Eu3TrPn4 (Tr=Al, Ga, In; Pn=P, As, Sb)","Journal of Solid State Chemistry","2017","249","","160","168","10.1016/j.jssc.2017.02.026","","","0.71073","MoKα","","0.0569","0.0365","","","0.0753","0.0806","","","","","","1.064","","","","has coordinates","262149","2021-02-23","08:04:32",""
"1560556","10.0121","0.0005","10.0121","0.0005","7.6045","0.0008","90","","90","","120","","660.16","0.08","200","2","200","2","","","","","","","","4","P 63 m c","P 6c -2c","186","","","","- Al Ca2.6 Na3.4 Sb4 -","- Al Ca2.49 Na3.51 Sb4 -","- Al2 Ca4.98 Na7.02 Sb8 -","2","0.166667","","Wang, Yi; Suen, Nian-Tzu; Kunene, Thabiso; Stoyko, Stanislav; Bobev, Svilen","Synthesis and structural characterization of the Zintl phases Na3Ca3TrPn4, Na3Sr3TrPn4, and Na3Eu3TrPn4 (Tr=Al, Ga, In; Pn=P, As, Sb)","Journal of Solid State Chemistry","2017","249","","160","168","10.1016/j.jssc.2017.02.026","","","0.71073","MoKα","","0.0417","0.0303","","","0.0495","0.052","","","","","","0.908","","","","has coordinates","262149","2021-02-23","08:04:32",""
"1560557","10.1272","0.0005","10.1272","0.0005","7.8453","0.0008","90","","90","","120","","696.82","0.09","200","2","200","2","","","","","","","","4","P 63 m c","P 6c -2c","186","","","","- Al Eu2.58 Na3.42 Sb4 -","- Al Eu2.583 Na3.417 Sb4 -","- Al2 Eu5.166 Na6.834 Sb8 -","2","0.166667","","Wang, Yi; Suen, Nian-Tzu; Kunene, Thabiso; Stoyko, Stanislav; Bobev, Svilen","Synthesis and structural characterization of the Zintl phases Na3Ca3TrPn4, Na3Sr3TrPn4, and Na3Eu3TrPn4 (Tr=Al, Ga, In; Pn=P, As, Sb)","Journal of Solid State Chemistry","2017","249","","160","168","10.1016/j.jssc.2017.02.026","","","0.71073","MoKα","","0.0162","0.0157","","","0.0396","0.0399","","","","","","1.116","","","","has coordinates","262149","2021-02-23","08:04:32",""
"1560558","10.1138","0.0004","10.1138","0.0004","7.8049","0.0006","90","","90","","120","","691.4","0.07","200","2","200","2","","","","","","","","4","P 63 m c","P 6c -2c","186","","","","- Eu2.42 Ga Na3.58 Sb4 -","- Eu2.421 Ga Na3.579 Sb4 -","- Eu4.842 Ga2 Na7.158 Sb8 -","2","0.166667","","Wang, Yi; Suen, Nian-Tzu; Kunene, Thabiso; Stoyko, Stanislav; Bobev, Svilen","Synthesis and structural characterization of the Zintl phases Na3Ca3TrPn4, Na3Sr3TrPn4, and Na3Eu3TrPn4 (Tr=Al, Ga, In; Pn=P, As, Sb)","Journal of Solid State Chemistry","2017","249","","160","168","10.1016/j.jssc.2017.02.026","","","0.71073","MoKα","","0.0267","0.0245","","","0.0501","0.0507","","","","","","1.115","","","","has coordinates","262149","2021-02-23","08:04:32",""
"1560559","10.1587","0.001","10.1587","0.001","7.9509","0.0015","90","","90","","120","","710.6","0.17","200","2","200","2","","","","","","","","4","P 63 m c","P 6c -2c","186","","","","- Al Na3.18 Sb4 Sr2.83 -","- Al Na3.174 Sb4 Sr2.826 -","- Al2 Na6.348 Sb8 Sr5.652 -","2","0.166667","","Wang, Yi; Suen, Nian-Tzu; Kunene, Thabiso; Stoyko, Stanislav; Bobev, Svilen","Synthesis and structural characterization of the Zintl phases Na3Ca3TrPn4, Na3Sr3TrPn4, and Na3Eu3TrPn4 (Tr=Al, Ga, In; Pn=P, As, Sb)","Journal of Solid State Chemistry","2017","249","","160","168","10.1016/j.jssc.2017.02.026","","","0.71073","MoKα","","0.0146","0.0144","","","0.0331","0.0331","","","","","","1.099","","","","has coordinates","262149","2021-02-23","08:04:32",""
"1560560","10.261","0.0014","10.261","0.0014","7.995","0.002","90","","90","","120","","729","0.2","200","2","200","2","","","","","","","","4","P 63 m c","P 6c -2c","186","","","","- In Na3.45 Sb4 Sr2.55 -","- In Na3.447 Sb4 Sr2.553 -","- In2 Na6.894 Sb8 Sr5.106 -","2","0.166667","","Wang, Yi; Suen, Nian-Tzu; Kunene, Thabiso; Stoyko, Stanislav; Bobev, Svilen","Synthesis and structural characterization of the Zintl phases Na3Ca3TrPn4, Na3Sr3TrPn4, and Na3Eu3TrPn4 (Tr=Al, Ga, In; Pn=P, As, Sb)","Journal of Solid State Chemistry","2017","249","","160","168","10.1016/j.jssc.2017.02.026","","","0.71073","MoKα","","0.0615","0.041","","","0.0808","0.0879","","","","","","1.067","","","","has coordinates","262149","2021-02-23","08:04:32",""
"1560561","7.3778","0.0001","7.8542","0.0001","9.9136","0.0001","110.026","0.001","92.985","0.001","92.487","0.001","537.846","0.012","103","2","103","2","","","","","","","","6","P -1","-P 1","2","","","","- C9 H10 Ag N2 O3 S -","- C9 H10 Ag N2 O3 S -","- C18 H20 Ag2 N4 O6 S2 -","2","1","","Yeşilel, Okan Zafer; Karamahmut, Bingül; Semerci, Fatih; Darcan, Cihan; Yılmaz, Filiz","A series of silver(I) coordination polymers with saccarinate and flexible aliphatic diamines","Journal of Solid State Chemistry","2017","249","","174","188","10.1016/j.jssc.2017.01.022","","","0.71073","MoKα","","0.017","0.0165","","","0.0431","0.0434","","","","","","1.12","","","","has coordinates","262150","2021-02-23","08:13:18",""
"1560562","43.912","0.001","10.8541","0.0003","21.5655","0.0006","90","","101.097","0.003","90","","10086.5","0.5","293","2","293","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C38 H52 Ag4 N8 O16 S4 -","- C38 H52 Ag4 N8 O16 S4 -","- C304 H416 Ag32 N64 O128 S32 -","8","1","","Yeşilel, Okan Zafer; Karamahmut, Bingül; Semerci, Fatih; Darcan, Cihan; Yılmaz, Filiz","A series of silver(I) coordination polymers with saccarinate and flexible aliphatic diamines","Journal of Solid State Chemistry","2017","249","","174","188","10.1016/j.jssc.2017.01.022","","","0.71073","MoKα","","0.0611","0.0405","","","0.071","0.0813","","","","","","1.048","","","","has coordinates","262150","2021-02-23","08:13:19",""
"1560563","11.7439","0.0012","21.692","0.002","10.7179","0.0011","90","","103.882","0.011","90","","2650.6","0.5","293","2","293","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C20 H28 Ag2 N4 O8 S2 -","- C20 H28 Ag2 N4 O8 S2 -","- C80 H112 Ag8 N16 O32 S8 -","4","1","","Yeşilel, Okan Zafer; Karamahmut, Bingül; Semerci, Fatih; Darcan, Cihan; Yılmaz, Filiz","A series of silver(I) coordination polymers with saccarinate and flexible aliphatic diamines","Journal of Solid State Chemistry","2017","249","","174","188","10.1016/j.jssc.2017.01.022","","","0.7107","MoKα","","0.3605","0.1132","","","0.2334","0.3703","","","","","","0.954","","","","has coordinates","262150","2021-02-23","08:13:19",""
"1560564","21.1821","0.0003","11.4983","0.0001","21.5878","0.0003","90","","90","","90","","5257.88","0.11","100","2","100","2","","","","","","","","6","P b c a","-P 2ac 2ab","61","","","","- C21 H28 Ag2 N4 O7 S2 -","- C21 H28 Ag2 N4 O7 S2 -","- C168 H224 Ag16 N32 O56 S16 -","8","1","","Yeşilel, Okan Zafer; Karamahmut, Bingül; Semerci, Fatih; Darcan, Cihan; Yılmaz, Filiz","A series of silver(I) coordination polymers with saccarinate and flexible aliphatic diamines","Journal of Solid State Chemistry","2017","249","","174","188","10.1016/j.jssc.2017.01.022","","","0.71073","MoKα","","0.0862","0.0641","","","0.1517","0.1661","","","","","","1.037","","","","has coordinates","262150","2021-02-23","08:13:19",""
"1560565","11.5569","0.0003","21.4349","0.0005","10.9614","0.0003","90","","104.681","0.001","90","","2626.72","0.12","106","2","106","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C22 H30 Ag2 N4 O7 S2 -","- C22 H30 Ag2 N4 O7 S2 -","- C88 H120 Ag8 N16 O28 S8 -","4","1","","Yeşilel, Okan Zafer; Karamahmut, Bingül; Semerci, Fatih; Darcan, Cihan; Yılmaz, Filiz","A series of silver(I) coordination polymers with saccarinate and flexible aliphatic diamines","Journal of Solid State Chemistry","2017","249","","174","188","10.1016/j.jssc.2017.01.022","","","0.71073","MoKα","","0.0308","0.0231","","","0.0576","0.0725","","","","","","1.159","","","","has coordinates","262150","2021-02-23","08:13:19",""
"1560566","11.072","0.0011","12.651","0.0013","14.582","0.0013","108.547","0.005","98.038","0.005","110.916","0.005","1733.2","0.3","105","2","105","2","","","","","","","","6","P -1","-P 1","2","","","","- C30 H48 Ag2 N6 O6 S2 -","- C30 H48 Ag2 N6 O6 S2 -","- C60 H96 Ag4 N12 O12 S4 -","2","1","","Yeşilel, Okan Zafer; Karamahmut, Bingül; Semerci, Fatih; Darcan, Cihan; Yılmaz, Filiz","A series of silver(I) coordination polymers with saccarinate and flexible aliphatic diamines","Journal of Solid State Chemistry","2017","249","","174","188","10.1016/j.jssc.2017.01.022","","","0.71073","MoKα","","0.1042","0.0786","","","0.2763","0.294","","","","","","1.114","","","","has coordinates","262150","2021-02-23","08:13:19",""
"1560567","8.5671","0.0001","12.5818","0.0002","13.4231","0.0002","79.353","0.001","72.936","0.001","81.702","0.001","1353.1","0.03","293","2","293","2","","","","","","","","6","P -1","-P 1","2","","","","- C46 H64 Ag4 N8 O14 S4 -","- C46 H64 Ag4 N8 O14 S4 -","- C46 H64 Ag4 N8 O14 S4 -","1","0.5","","Yeşilel, Okan Zafer; Karamahmut, Bingül; Semerci, Fatih; Darcan, Cihan; Yılmaz, Filiz","A series of silver(I) coordination polymers with saccarinate and flexible aliphatic diamines","Journal of Solid State Chemistry","2017","249","","174","188","10.1016/j.jssc.2017.01.022","","","0.71073","MoKα","","0.0231","0.0197","","","0.0489","0.0504","","","","","","1.043","","","","has coordinates","262150","2021-02-23","08:13:19",""
"1560568","11.6875","0.0002","20.7157","0.0004","23.6214","0.0003","90","","90","","90","","5719.09","0.16","293","2","293","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C50 H41 Cd3 N4 O16 -","- C50 H41 Cd3 N4 O16 -","- C200 H164 Cd12 N16 O64 -","4","1","","Xu, Zhong-Xuan; Ma, Yu-Lu; Lv, Guo-ling","Homochiral coordination polymers with helixes and metal clusters based on lactate derivatives","Journal of Solid State Chemistry","2017","249","","210","214","10.1016/j.jssc.2017.03.011","","","1.54178","CuKα","","0.0397","0.0377","","","0.0931","0.095","","","","","","0.971","","","","has coordinates,has Fobs","262152","2021-02-23","08:23:56",""
"1560569","11.6974","0.0015","20.58","0.003","23.668","0.003","90","","90","","90","","5697.7","1.3","293","2","293","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C50 H41 Cd3 N4 O16 -","- C50 H41 Cd3 N4 O16 -","- C200 H164 Cd12 N16 O64 -","4","1","","Xu, Zhong-Xuan; Ma, Yu-Lu; Lv, Guo-ling","Homochiral coordination polymers with helixes and metal clusters based on lactate derivatives","Journal of Solid State Chemistry","2017","249","","210","214","10.1016/j.jssc.2017.03.011","","","0.71073","MoKα","","0.0421","0.0376","","","0.1067","0.1093","","","","","","0.904","","","","has coordinates,has Fobs","262153","2021-02-23","08:25:50",""
"1560570","17.62646","0.00004","6.970438","0.000016","12.11419","0.00003","90","","133.741","0.00008","90","","1075.33","0.005","433","","433","","","","","","","","","3","C 1 2 1","C 2y","5","hydrated rhabdophane","","","- O4.5 P Sm -","- O4.5 P Sm -","- O54 P12 Sm12 -","12","3","","Mesbah, Adel; Clavier, Nicolas; Elkaim, Erik; Szenknect, Stéphanie; Dacheux, Nicolas","In pursuit of the rhabdophane crystal structure: from the hydrated monoclinic LnPO 4 .0.667H 2 O to the hexagonal LnPO 4 (Ln = Nd, Sm, Gd, Eu and Dy)","Journal of Solid State Chemistry","2017","249","","221","227","10.1016/j.jssc.2017.03.004","powder diffraction","","0.58403","synchrotron","","","","","","","","","6.2922","","","","","","","","has coordinates","262154","2021-02-23","08:32:17",""
"1560571","7.038998","0.000007","7.038998","0.000007","6.370215","0.000007","90","","90","","120","","273.342","0.0005","573","","573","","","","","","","","","3","P 31 2 1","P 31 2""","152","hydrated rhabdophane","","","- O4 P Sm -","- O4 P Sm -","- O12 P3 Sm3 -","3","0.5","","Mesbah, Adel; Clavier, Nicolas; Elkaim, Erik; Szenknect, Stéphanie; Dacheux, Nicolas","In pursuit of the rhabdophane crystal structure: from the hydrated monoclinic LnPO 4 .0.667H 2 O to the hexagonal LnPO 4 (Ln = Nd, Sm, Gd, Eu and Dy)","Journal of Solid State Chemistry","2017","249","","221","227","10.1016/j.jssc.2017.03.004","powder diffraction","","0.58403","synchrotron","","","","","","","","","6.4726","","","","","","","","has coordinates","262154","2021-02-23","08:32:18",""
"1560572","10.035","0.004","4.967","0.002","6.716","0.002","90","","90","","90","","334.8","0.2","298","","298","","","","","","","","","4","P n a 21","P 2c -2n","33","lithium cobalt phosphate","","","- Co1.03 Li0.95 O4 P -","- Co1.027 Li0.952 O4 P -","- Co4.108 Li3.808 O16 P4 -","4","1","","Ludwig, Jennifer; Nordlund, Dennis; Doeff, Marca M.; Nilges, Tom","Synthesis and characterization of metastable, 20 nm-sized Pna 2 1 -LiCoPO 4 nanospheres","Journal of Solid State Chemistry","2017","248","","9","17","10.1016/j.jssc.2017.01.015","powder diffraction","x-ray","0.7093","MoKα1","","0.0213","0.0213","","0.025","0.025","","","","1.27","","","","","","","has coordinates","262156","2021-02-23","09:51:10",""
"1560573","10.0256","0.0006","4.9631","0.0003","6.7157","0.0004","90","","90","","90","","334.16","0.03","298","","298","","","","","","","","","4","P n a 21","P 2c -2n","33","lithium cobalt phosphate","","","- Co0.99 Li1.01 O4 P -","- Co0.987 Li1.013 O4 P -","- Co3.948 Li4.052 O16 P4 -","4","1","","Ludwig, Jennifer; Nordlund, Dennis; Doeff, Marca M.; Nilges, Tom","Synthesis and characterization of metastable, 20 nm-sized Pna 2 1 -LiCoPO 4 nanospheres","Journal of Solid State Chemistry","2017","248","","9","17","10.1016/j.jssc.2017.01.015","powder diffraction","x-ray","0.7093","MoKα1","","0.0263","0.0261","","0.0303","0.0303","","","","1.62","","","","","","","has coordinates","262156","2021-02-23","09:51:13",""
"1560574","10.211","0.0002","5.92075","0.00012","4.70581","0.00011","90","","90","","90","","284.498","0.01","298","","298","","","","","","","","","4","P n m a","-P 2ac 2n","62","lithium cobalt phosphate","","","- Co Li O4 P -","- Co Li O4 P -","- Co4 Li4 O16 P4 -","4","0.5","","Ludwig, Jennifer; Nordlund, Dennis; Doeff, Marca M.; Nilges, Tom","Synthesis and characterization of metastable, 20 nm-sized Pna 2 1 -LiCoPO 4 nanospheres","Journal of Solid State Chemistry","2017","248","","9","17","10.1016/j.jssc.2017.01.015","powder diffraction","x-ray","0.7093","MoKα1","","0.0272","0.0267","","0.0284","0.0283","","","","1.48","","","","","","","has coordinates","262156","2021-02-23","09:51:15",""
"1560575","10.2114","0.0003","5.92985","0.00016","4.70439","0.00013","90","","90","","90","","284.861","0.014","298","","298","","","","","","","","","4","P n m a","-P 2ac 2n","62","lithium cobalt phosphate","","","- Co Li O4 P -","- Co Li O4 P -","- Co4 Li4 O16 P4 -","4","0.5","","Ludwig, Jennifer; Nordlund, Dennis; Doeff, Marca M.; Nilges, Tom","Synthesis and characterization of metastable, 20 nm-sized Pna 2 1 -LiCoPO 4 nanospheres","Journal of Solid State Chemistry","2017","248","","9","17","10.1016/j.jssc.2017.01.015","powder diffraction","x-ray","0.7093","MoKα1","","0.0257","0.0257","","0.0298","0.0298","","","","1.96","","","","","","","has coordinates","262156","2021-02-23","09:51:26",""
"1560576","10.2155","0.0006","5.9163","0.0003","4.7025","0.0002","90","","90","","90","","284.21","0.03","298","","298","","","","","","","","","4","P n m a","-P 2ac 2n","62","lithium cobalt phosphate","","","- Co Li O4 P -","- Co Li O4 P -","- Co4 Li4 O16 P4 -","4","0.5","","Ludwig, Jennifer; Nordlund, Dennis; Doeff, Marca M.; Nilges, Tom","Synthesis and characterization of metastable, 20 nm-sized Pna 2 1 -LiCoPO 4 nanospheres","Journal of Solid State Chemistry","2017","248","","9","17","10.1016/j.jssc.2017.01.015","powder diffraction","x-ray","0.7093","MoKα1","","0.0229","0.0229","","0.0299","0.0299","","","","1.81","","","","","","","has coordinates","262156","2021-02-23","09:51:36",""
"1560577","5.7407","0.0003","5.7407","0.0003","43.503","0.003","90","","90","","120","","1241.59","0.13","296","2","296","2","","","","","","","","4","R -3 c :H","-R 3 2""c","167","","","","- Cl F6 Na3 Sn2 -","- Cl F6 Na3 Sn2 -","- Cl6 F36 Na18 Sn12 -","6","0.166667","","Gong, Pifu; Luo, Siyang; Huang, Qian; Yang, Yi; Jiang, Xingxing; Liang, Fei; Chen, Chuangtian; Lin, Zheshuai","An alkaline tin(II) halide compound Na 3 Sn 2 F 6 Cl: Synthesis, structure, and characterization","Journal of Solid State Chemistry","2017","248","","104","108","10.1016/j.jssc.2017.01.023","","","0.71073","MoKα","","0.0468","0.0454","","","0.1137","0.1153","","","","","","1.268","","","","has coordinates","262157","2021-02-23","09:59:27",""
"1560578","17.5859","0.0016","11.447","0.0011","21.6831","0.0019","90","","114.472","0.003","90","","3972.8","0.6","298","2","298","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C40 H32 Cu2 N8 O8 -","- C40 H32 Cu2 N8 O8 -","- C160 H128 Cu8 N32 O32 -","4","1","","Zhu, Zheng; Meng, Xiang-min; Zhang, Dong-mei; Zhang, Xia; Wang, Mei; Jin, Fan; Fan, Yu-hua","Syntheses, structures and selective dye adsorption of five formic-based coordination polymers prepared by in-situ hydrolysis of N, N′-dimethylformamide","Journal of Solid State Chemistry","2017","248","","109","118","10.1016/j.jssc.2017.01.027","","","0.71073","MoKα","","0.233","0.1169","","","0.2084","0.2412","","","","","","1.059","","","","has coordinates,has disorder","262158","2021-02-23","10:07:38",""
"1560579","17.8311","0.0015","11.7676","0.0009","20.1472","0.0018","90","","111.685","0.002","90","","3928.3","0.6","298","2","298","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C39 H33 Co2 N9 O10 -","- C39 H33 Co2 N9 O10 -","- C156 H132 Co8 N36 O40 -","4","1","","Zhu, Zheng; Meng, Xiang-min; Zhang, Dong-mei; Zhang, Xia; Wang, Mei; Jin, Fan; Fan, Yu-hua","Syntheses, structures and selective dye adsorption of five formic-based coordination polymers prepared by in-situ hydrolysis of N, N′-dimethylformamide","Journal of Solid State Chemistry","2017","248","","109","118","10.1016/j.jssc.2017.01.027","","","0.71073","MoKα","","0.1244","0.0914","","","0.2577","0.2757","","","","","","1.157","","","","has coordinates","262158","2021-02-23","10:07:39",""
"1560580","17.7959","0.0018","11.727","0.0012","19.9861","0.0019","90","","110.972","0.003","90","","3894.6","0.7","298","2","298","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C39 H33 N9 Ni2 O10 -","- C39 H33 N9 Ni2 O10 -","- C156 H132 N36 Ni8 O40 -","4","1","","Zhu, Zheng; Meng, Xiang-min; Zhang, Dong-mei; Zhang, Xia; Wang, Mei; Jin, Fan; Fan, Yu-hua","Syntheses, structures and selective dye adsorption of five formic-based coordination polymers prepared by in-situ hydrolysis of N, N′-dimethylformamide","Journal of Solid State Chemistry","2017","248","","109","118","10.1016/j.jssc.2017.01.027","","","0.71073","MoKα","","0.2123","0.1368","","","0.3084","0.3326","","","","","","1.385","","","","has coordinates,has disorder","262158","2021-02-23","10:07:39",""
"1560581","13.2162","0.0014","15.3955","0.0015","11.3899","0.0011","90","","90","","90","","2317.5","0.4","298","2","298","2","","","","","","","","5","P b c n","-P 2n 2ab","60","","","","- C28 H20 Co N4 O4 -","- C28 H20 Co N4 O4 -","- C112 H80 Co4 N16 O16 -","4","0.5","","Zhu, Zheng; Meng, Xiang-min; Zhang, Dong-mei; Zhang, Xia; Wang, Mei; Jin, Fan; Fan, Yu-hua","Syntheses, structures and selective dye adsorption of five formic-based coordination polymers prepared by in-situ hydrolysis of N, N′-dimethylformamide","Journal of Solid State Chemistry","2017","248","","109","118","10.1016/j.jssc.2017.01.027","","","0.71073","MoKα","","0.1298","0.0814","","","0.1918","0.2282","","","","","","1.061","","","","has coordinates,has disorder","262158","2021-02-23","10:07:39",""
"1560582","13.205","0.006","15.562","0.007","11.364","0.005","90","","90","","90","","2335.3","1.8","298","2","298","2","","","","","","","","5","P b c n","-P 2n 2ab","60","","","","- C28 H20 N4 O4 Zn -","- C28 H20 N4 O4 Zn -","- C112 H80 N16 O16 Zn4 -","4","0.5","","Zhu, Zheng; Meng, Xiang-min; Zhang, Dong-mei; Zhang, Xia; Wang, Mei; Jin, Fan; Fan, Yu-hua","Syntheses, structures and selective dye adsorption of five formic-based coordination polymers prepared by in-situ hydrolysis of N, N′-dimethylformamide","Journal of Solid State Chemistry","2017","248","","109","118","10.1016/j.jssc.2017.01.027","","","0.71073","MoKα","","0.0721","0.0385","","","0.0647","0.07","","","","","","1.033","","","","has coordinates,has disorder","262158","2021-02-23","10:07:41",""
"1560583","14.7432","0.0002","14.7432","0.0002","14.7432","0.0002","90","","90","","90","","3204.61","0.08","296","2","296","2","","","","","","","","4","I -4 3 d","I -4bd 2c 3","220","","","","- Ag0.22 Ba0.5 S1.33 Sn0.36 -","- Ag0.22 Ba0.5 S1.33333 Sn0.360833 -","- Ag10.56 Ba24 S64 Sn17.32 -","48","1","","Haynes, Alyssa S.; Liu, Te-Kun; Frazer, Laszlo; Lin, Jyun-Fan; Wang, Shuo-Yu; Ketterson, John B.; Kanatzidis, Mercouri G.; Hsu, Kuei-Fang","Second harmonic generation response of the cubic chalcogenides Ba(6−x)Srx[Ag(4−y)Sn(y/4)](SnS4)4","Journal of Solid State Chemistry","2017","248","","119","125","10.1016/j.jssc.2017.01.025","","","0.71073","MoKα","","0.023","0.0228","","","0.0578","0.058","","","","","","1.148","","","","has coordinates","262159","2021-02-23","10:12:33",""
"1560584","14.6346","0.0004","14.6346","0.0004","14.6346","0.0004","90","","90","","90","","3134.31","0.15","296","2","296","2","","","","","","","","5","I -4 3 d","I -4bd 2c 3","220","","","","- Ag0.22 Ba0.34 S1.33 Sn0.36 Sr0.16 -","- Ag0.225 Ba0.3355 S1.33333 Sn0.360833 Sr0.1645 -","- Ag10.8 Ba16.104 S64 Sn17.32 Sr7.896 -","48","1","","Haynes, Alyssa S.; Liu, Te-Kun; Frazer, Laszlo; Lin, Jyun-Fan; Wang, Shuo-Yu; Ketterson, John B.; Kanatzidis, Mercouri G.; Hsu, Kuei-Fang","Second harmonic generation response of the cubic chalcogenides Ba(6−x)Srx[Ag(4−y)Sn(y/4)](SnS4)4","Journal of Solid State Chemistry","2017","248","","119","125","10.1016/j.jssc.2017.01.025","","","0.71073","MoKα","","0.0237","0.0236","","","0.0675","0.0676","","","","","","1.154","","","","has coordinates","262159","2021-02-23","10:12:34",""
"1560585","14.5646","0.0004","14.5646","0.0004","14.5646","0.0004","90","","90","","90","","3089.55","0.15","296","2","296","2","","","","","","","","5","I -4 3 d","I -4bd 2c 3","220","","","","- Ag0.22 Ba0.26 S1.33 Sn0.36 Sr0.23 -","- Ag0.2225 Ba0.26 S1.33333 Sn0.360833 Sr0.235 -","- Ag10.68 Ba12.48 S64 Sn17.32 Sr11.28 -","48","1","","Haynes, Alyssa S.; Liu, Te-Kun; Frazer, Laszlo; Lin, Jyun-Fan; Wang, Shuo-Yu; Ketterson, John B.; Kanatzidis, Mercouri G.; Hsu, Kuei-Fang","Second harmonic generation response of the cubic chalcogenides Ba(6−x)Srx[Ag(4−y)Sn(y/4)](SnS4)4","Journal of Solid State Chemistry","2017","248","","119","125","10.1016/j.jssc.2017.01.025","","","0.71073","MoKα","","0.0307","0.0305","","","0.0798","0.0801","","","","","","1.171","","","","has coordinates","262159","2021-02-23","10:12:34",""
"1560586","14.5142","0.0004","14.5142","0.0004","14.5142","0.0004","90","","90","","90","","3057.59","0.15","296","2","296","2","","","","","","","","5","I -4 3 d","I -4bd 2c 3","220","","","","- Ag0.22 Ba0.18 S1.33 Sn0.36 Sr0.32 -","- Ag0.2225 Ba0.183 S1.33333 Sn0.360833 Sr0.3165 -","- Ag10.68 Ba8.784 S64 Sn17.32 Sr15.192 -","48","1","","Haynes, Alyssa S.; Liu, Te-Kun; Frazer, Laszlo; Lin, Jyun-Fan; Wang, Shuo-Yu; Ketterson, John B.; Kanatzidis, Mercouri G.; Hsu, Kuei-Fang","Second harmonic generation response of the cubic chalcogenides Ba(6−x)Srx[Ag(4−y)Sn(y/4)](SnS4)4","Journal of Solid State Chemistry","2017","248","","119","125","10.1016/j.jssc.2017.01.025","","","0.71073","MoKα","","0.0282","0.0281","","","0.0738","0.0739","","","","","","1.159","","","","has coordinates","262159","2021-02-23","10:12:34",""
"1560587","14.3637","0.0004","14.3637","0.0004","14.3637","0.0004","90","","90","","90","","2963.46","0.14","296","2","296","2","","","","","","","","4","I -4 3 d","I -4bd 2c 3","220","","","","- Ag0.22 S1.33 Sn0.36 Sr0.5 -","- Ag0.2225 S1.33333 Sn0.360833 Sr0.5 -","- Ag10.68 S64 Sn17.32 Sr24 -","48","1","","Haynes, Alyssa S.; Liu, Te-Kun; Frazer, Laszlo; Lin, Jyun-Fan; Wang, Shuo-Yu; Ketterson, John B.; Kanatzidis, Mercouri G.; Hsu, Kuei-Fang","Second harmonic generation response of the cubic chalcogenides Ba(6−x)Srx[Ag(4−y)Sn(y/4)](SnS4)4","Journal of Solid State Chemistry","2017","248","","119","125","10.1016/j.jssc.2017.01.025","","","0.71073","MoKα","","0.039","0.0386","","","0.1034","0.1036","","","","","","1.199","","","","has coordinates","262159","2021-02-23","10:12:34",""
"1560588","9.6926","0.0007","9.6926","0.0007","8.1354","0.0008","90","","90","","90","","764.29","0.11","150","2","150","2","","","","","","","","5","P -4 21 m","P -4 2ab","113","","","","- Cs2 O16 S1.83 Se1.17 U2 -","- Cs2 O16 S1.829 Se1.171 U2 -","- Cs4 O32 S3.658 Se2.342 U4 -","2","0.25","","Gurzhiy, Vladislav V.; Tyumentseva, Olga S.; Krivovichev, Sergey V.; Tananaev, Ivan G.","Selective Se-for-S substitution in Cs-bearing uranyl compounds","Journal of Solid State Chemistry","2017","248","","126","133","10.1016/j.jssc.2017.02.005","","","0.71073","MoKα","","0.0134","0.0124","","","0.0231","0.0232","","","","","","1.064","","","","has coordinates","262160","2021-02-23","10:26:12",""
"1560589","9.7075","0.0019","9.7075","0.0019","8.1407","0.0016","90","","90","","90","","767.1","0.3","150","2","150","2","","","","","","","","5","P -4 21 m","P -4 2ab","113","","","","- Cs2 O16 S1.51 Se1.49 U2 -","- Cs2 O16 S1.517 Se1.483 U2 -","- Cs4 O32 S3.034 Se2.966 U4 -","2","0.25","","Gurzhiy, Vladislav V.; Tyumentseva, Olga S.; Krivovichev, Sergey V.; Tananaev, Ivan G.","Selective Se-for-S substitution in Cs-bearing uranyl compounds","Journal of Solid State Chemistry","2017","248","","126","133","10.1016/j.jssc.2017.02.005","","","0.71073","MoKα","","0.0264","0.0216","","","0.03","0.0306","","","","","","0.833","","","","has coordinates","262160","2021-02-23","10:26:13",""
"1560590","9.7828","0.0014","9.7828","0.0014","8.1537","0.0016","90","","90","","90","","780.3","0.2","150","2","150","2","","","","","","","","5","P -4 21 m","P -4 2ab","113","","","","- Cs2 O16 S0.96 Se2.05 U2 -","- Cs2 O16 S0.958 Se2.042 U2 -","- Cs4 O32 S1.916 Se4.084 U4 -","2","0.25","","Gurzhiy, Vladislav V.; Tyumentseva, Olga S.; Krivovichev, Sergey V.; Tananaev, Ivan G.","Selective Se-for-S substitution in Cs-bearing uranyl compounds","Journal of Solid State Chemistry","2017","248","","126","133","10.1016/j.jssc.2017.02.005","","","0.71073","MoKα","","0.0252","0.0222","","","0.0443","0.0448","","","","","","1.038","","","","has coordinates","262160","2021-02-23","10:26:13",""
"1560591","9.8082","0.0017","9.8082","0.0017","8.1477","0.0019","90","","90","","90","","783.8","0.3","150","2","150","2","","","","","","","","5","P -4 21 m","P -4 2ab","113","","","","- Cs2 O16 S0.49 Se2.52 U2 -","- Cs2 O16 S0.489 Se2.511 U2 -","- Cs4 O32 S0.978 Se5.022 U4 -","2","0.25","","Gurzhiy, Vladislav V.; Tyumentseva, Olga S.; Krivovichev, Sergey V.; Tananaev, Ivan G.","Selective Se-for-S substitution in Cs-bearing uranyl compounds","Journal of Solid State Chemistry","2017","248","","126","133","10.1016/j.jssc.2017.02.005","","","0.71073","MoKα","","0.0235","0.0202","","","0.042","0.0426","","","","","","1.016","","","","has coordinates","262160","2021-02-23","10:26:13",""
"1560592","9.856","0.0016","9.856","0.0016","8.1587","0.0014","90","","90","","90","","792.5","0.2","150","2","150","2","","","","","","","","4","P -4 21 m","P -4 2ab","113","","","","- Cs2 O16 Se3 U2 -","- Cs2 O16 Se3 U2 -","- Cs4 O32 Se6 U4 -","2","0.25","","Gurzhiy, Vladislav V.; Tyumentseva, Olga S.; Krivovichev, Sergey V.; Tananaev, Ivan G.","Selective Se-for-S substitution in Cs-bearing uranyl compounds","Journal of Solid State Chemistry","2017","248","","126","133","10.1016/j.jssc.2017.02.005","","","0.71073","MoKα","","0.0223","0.0201","","","0.0431","0.0434","","","","","","1.024","","","","has coordinates","262160","2021-02-23","10:26:13",""
"1560593","9.6165","0.0008","9.6165","0.0008","8.1055","0.0009","90","","90","","90","","749.57","0.12","150","2","150","2","","","","","","","","4","P -4 21 m","P -4 2ab","113","","","","- Cs2 O16 S3 U2 -","- Cs2 O16 S3 U2 -","- Cs4 O32 S6 U4 -","2","0.25","","Gurzhiy, Vladislav V.; Tyumentseva, Olga S.; Krivovichev, Sergey V.; Tananaev, Ivan G.","Selective Se-for-S substitution in Cs-bearing uranyl compounds","Journal of Solid State Chemistry","2017","248","","126","133","10.1016/j.jssc.2017.02.005","","","0.71073","MoKα","","0.0139","0.0135","","","0.0251","0.0252","","","","","","1.014","","","","has coordinates","262160","2021-02-23","10:26:13",""
"1560594","9.6268","0.0012","9.6268","0.0012","8.1119","0.001","90","","90","","90","","751.77","0.16","150","2","150","2","","","","","","","","5","P -4 21 m","P -4 2ab","113","","","","- Cs2 O16 S2.7 Se0.31 U2 -","- Cs2 O16 S2.696 Se0.304 U2 -","- Cs4 O32 S5.392 Se0.608 U4 -","2","0.25","","Gurzhiy, Vladislav V.; Tyumentseva, Olga S.; Krivovichev, Sergey V.; Tananaev, Ivan G.","Selective Se-for-S substitution in Cs-bearing uranyl compounds","Journal of Solid State Chemistry","2017","248","","126","133","10.1016/j.jssc.2017.02.005","","","0.71073","MoKα","","0.0159","0.0147","","","0.0229","0.023","","","","","","0.99","","","","has coordinates","262160","2021-02-23","10:26:13",""
"1560595","9.6518","0.0012","9.6518","0.0012","8.1163","0.001","90","","90","","90","","756.09","0.16","150","2","150","2","","","","","","","","5","P -4 21 m","P -4 2ab","113","","","","- Cs2 O16 S2.43 Se0.57 U2 -","- Cs2 O16 S2.432 Se0.568 U2 -","- Cs4 O32 S4.864 Se1.136 U4 -","2","0.25","","Gurzhiy, Vladislav V.; Tyumentseva, Olga S.; Krivovichev, Sergey V.; Tananaev, Ivan G.","Selective Se-for-S substitution in Cs-bearing uranyl compounds","Journal of Solid State Chemistry","2017","248","","126","133","10.1016/j.jssc.2017.02.005","","","0.71073","MoKα","","0.0175","0.0163","","","0.0319","0.0322","","","","","","1.038","","","","has coordinates","262160","2021-02-23","10:26:13",""
"1560596","9.6835","0.001","9.6835","0.001","8.1328","0.0012","90","","90","","90","","762.61","0.16","150","2","150","2","","","","","","","","5","P -4 21 m","P -4 2ab","113","","","","- Cs2 O16 S2.14 Se0.86 U2 -","- Cs2 O16 S2.138 Se0.862 U2 -","- Cs4 O32 S4.276 Se1.724 U4 -","2","0.25","","Gurzhiy, Vladislav V.; Tyumentseva, Olga S.; Krivovichev, Sergey V.; Tananaev, Ivan G.","Selective Se-for-S substitution in Cs-bearing uranyl compounds","Journal of Solid State Chemistry","2017","248","","126","133","10.1016/j.jssc.2017.02.005","","","0.71073","MoKα","","0.0191","0.0174","","","0.0331","0.0334","","","","","","1.08","","","","has coordinates","262160","2021-02-23","10:26:13",""
"1560597","9.9637","0.0003","9.9637","0.0003","40.898","0.003","90","","90","","90","","4060.2","0.3","100","2","100","2","","","","","","","","5","I 41/a :2","-I 4ad","88","","","","- C12 H12 K2 O16 U2 -","- C12 H12 K2 O16 U2 -","- C96 H96 K16 O128 U16 -","8","0.5","","Novikov, S.A.; Grigoriev, M.S.; Serezhkina, L.B.; Serezhkin, V.N.","Potassium and magnesium succinatouranilates ‒ Synthesis and crystal structure","Journal of Solid State Chemistry","2017","248","","178","182","10.1016/j.jssc.2017.02.010","","","0.71073","MoKα","","0.0377","0.0239","","","0.0415","0.0442","","","","","","1.042","","","","has coordinates","262161","2021-02-23","10:37:05",""
"1560598","10.7867","0.0012","11.0627","0.0011","11.918","0.0012","85.062","0.006","72.924","0.006","85.378","0.006","1352.1","0.2","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","","","- C12 H28 Mg O24 U2 -","- C12 H28 Mg O24 U2 -","- C24 H56 Mg2 O48 U4 -","2","1","","Novikov, S.A.; Grigoriev, M.S.; Serezhkina, L.B.; Serezhkin, V.N.","Potassium and magnesium succinatouranilates ‒ Synthesis and crystal structure","Journal of Solid State Chemistry","2017","248","","178","182","10.1016/j.jssc.2017.02.010","","","0.71073","MoKα","","0.0781","0.0472","","","0.0978","0.1091","","","","","","1.026","","","","has coordinates","262162","2021-02-23","10:38:26",""
"1560606","14.4277","0.0005","24.0577","0.0005","33.9348","0.0009","90","","90","","90","","11778.7","0.6","293","2","293","2","","","","","","","","5","F d d d :2","-F 2uv 2vw","70","","","","- C40 H60 N8 Ni4 O42 -","- C40 H60 N8 Ni4 O42 -","- C320 H480 N64 Ni32 O336 -","8","0.25","","Xu, Qing-Qing; Liu, Bing; Xu, Ling; Jiao, Huan","Ionothermal synthesis and structural transformation targeted by ion exchange in metal-1,3,5-benzenetricarboxylate compounds","Journal of Solid State Chemistry","2017","247","","1","7","10.1016/j.jssc.2016.12.006","","","0.71073","MoKα","","0.0462","0.0387","","","0.1072","0.1156","","","","","","1.008","","","","has coordinates","262187","2021-02-24","09:58:23",""
"1560607","14.3454","0.0006","24.1072","0.001","34.1451","0.0014","90","","90","","90","","11808.3","0.8","153","2","153","","","","","","","","","5","F d d d :2","-F 2uv 2vw","70","","","","- C40 H56 Co4 N8 O42 -","- C40 H56 Co4 N8 O42 -","- C320 H448 Co32 N64 O336 -","8","0.25","","Xu, Qing-Qing; Liu, Bing; Xu, Ling; Jiao, Huan","Ionothermal synthesis and structural transformation targeted by ion exchange in metal-1,3,5-benzenetricarboxylate compounds","Journal of Solid State Chemistry","2017","247","","1","7","10.1016/j.jssc.2016.12.006","","","0.71073","MoKα","","0.0542","0.0465","","","0.1275","0.1378","","","","","","1.04","","","","has coordinates","262188","2021-02-24","10:00:12",""
"1560608","14.3641","0.0011","14.1462","0.0011","7.4643","0.0006","90","","90","","90","","1516.7","0.2","293","2","293","2","","","","","","","","5","C m c m","-C 2c 2","63","","","","- C9 H11 Cl Cu2 O10 -","- C9 H11 Cl Cu2 O10 -","- C36 H44 Cl4 Cu8 O40 -","4","0.25","","Xu, Qing-Qing; Liu, Bing; Xu, Ling; Jiao, Huan","Ionothermal synthesis and structural transformation targeted by ion exchange in metal-1,3,5-benzenetricarboxylate compounds","Journal of Solid State Chemistry","2017","247","","1","7","10.1016/j.jssc.2016.12.006","","","0.71073","MoKα","","0.0324","0.0299","","","0.0797","0.0814","","","","","","1.039","","","","has coordinates","262189","2021-02-24","10:01:26",""
"1560609","18.3101","0.0018","33.5","0.002","16.723","0.0015","90","","90","","90","","10257.7","1.5","298","2","298","2","","","","","","","","4","P m c 21","P 2c -2","26","","","","- C36 H17 O24 Zn4 -","- C36 H17 O24 Zn4 -","- C144 H68 O96 Zn16 -","4","1","","Wang, Kun; Li, Shuni; Jiang, Yucheng; Hu, Mancheng; Zhai, Quan-Guo","A pillar-layered metal-organic framework as luminescent sensor for selective and reversible response of chloroform","Journal of Solid State Chemistry","2017","247","","39","42","10.1016/j.jssc.2016.12.023","","","0.71073","MoKα","","0.1548","0.0926","","","0.2425","0.2548","","","","","","1.064","","","","has coordinates","262190","2021-02-24","10:08:11",""
"1560610","5.7894","0.0013","5.7959","0.0015","8.1742","0.0014","90","","90","","90","","274.28","0.11","300","2","300","2","","","","","","","","5","P b n m","-P 2c 2ab","62","","","","- Ba0.17 In0.17 Ir0.17 La0.17 O -","- Ba0.166667 In0.166667 Ir0.166667 La0.166667 O -","- Ba2 In2 Ir2 La2 O12 -","12","1.5","","Flynn, Joshua; Li, Jun; Ramirez, Arthur P.; Subramanian, M.A.","The effect of iridium oxidation state on the electronic properties of perovskite-type solid solutions: Ba2‒La InIrO6 and BaLaIn1‒Ca IrO6","Journal of Solid State Chemistry","2017","247","","53","59","10.1016/j.jssc.2016.12.017","","","0.5","neutron","","0.0397","0.0397","","","0.0467","0.0467","","","","","","1.157","","","","has coordinates","262191","2021-02-24","10:12:11",""
"1560611","10.235","0.002","11.354","0.002","12.597","0.003","88.53","0.03","74.14","0.03","67.91","0.03","1299.9","0.6","293","2","293","2","","","","","","","","4","P -1","-P 1","2","","","","- C22 H18 O18 Pb3 -","- C22 H14 O18 Pb3 -","- C44 H28 O36 Pb6 -","2","1","","Chen, Yong-Qiang; Tian, Yuan","Lead(II) coordination polymers based on rigid-flexible 3,5-bis-oxyacetate-benzoic acid: Structural transition driven by temperature control","Journal of Solid State Chemistry","2017","247","","60","66","10.1016/j.jssc.2016.12.024","","","0.71073","MoKα","","0.0806","0.056","","","0.1393","0.155","","","","","","0.926","","","","has coordinates","262192","2021-02-24","10:16:17",""
"1560612","8.9756","0.0018","11.556","0.002","15.721","0.003","100.02","0.03","102.77","0.03","97.23","0.03","1542.9","0.6","293","2","293","2","","","","","","","","4","P -1","-P 1","2","","","","- C22 H20 O20 Pb4 -","- C22 H14 O19 Pb4 -","- C44 H28 O38 Pb8 -","2","1","","Chen, Yong-Qiang; Tian, Yuan","Lead(II) coordination polymers based on rigid-flexible 3,5-bis-oxyacetate-benzoic acid: Structural transition driven by temperature control","Journal of Solid State Chemistry","2017","247","","60","66","10.1016/j.jssc.2016.12.024","","","0.71073","MoKα","","0.0956","0.0567","","","0.1019","0.1121","","","","","","0.864","","","","has coordinates","262192","2021-02-24","10:16:18",""
"1560613","9.1255","0.0018","11.542","0.002","23.556","0.005","90","","97.81","0.03","90","","2458.1","0.8","293","2","293","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C22 H16 O17 Pb3 -","- C22 H14 O17 Pb3 -","- C88 H56 O68 Pb12 -","4","1","","Chen, Yong-Qiang; Tian, Yuan","Lead(II) coordination polymers based on rigid-flexible 3,5-bis-oxyacetate-benzoic acid: Structural transition driven by temperature control","Journal of Solid State Chemistry","2017","247","","60","66","10.1016/j.jssc.2016.12.024","","","0.71073","MoKα","","0.0746","0.0487","","","0.0668","0.0724","","","","","","0.993","","","","has coordinates","262192","2021-02-24","10:16:18",""
"1560614","8.35013","0.00003","8.35013","0.00003","8.35013","0.00003","90","","90","","90","","582.21","0.004","298","","298","","","","","","","","","4","P 43 3 2","P 4acd 2ab 3","212","","","","- Fe0.801 Li2.403 O8 Ti2.799 -","- Fe0.801 Li2.403 O8 Ti2.799 -","- Fe3.204 Li9.612 O32 Ti11.196 -","4","0.166667","","Mukai, Kazuhiko; Kato, Yuichi; Nakano, Hideyuki","Determination of cation distribution in the Fe[Li 1/2 Fe 3/2 ]O 4 −LiFeTiO 4 −Li[Li 1/3 Ti 5/3 ]O 4 system: Mixed nature of solid solution and superlattice","Journal of Solid State Chemistry","2017","247","","67","76","10.1016/j.jssc.2016.12.025","powder diffraction","","0.60001","synchrotron","","0.06246","","","","","","0.06646","0.0499","1.2049","","","","","","","has coordinates","262193","2021-02-24","10:21:04",""
"1560615","7.6176","0.0009","12.1811","0.0016","19.258","0.002","90","","90","","90","","1787","0.4","293","2","293","2","","","","","","","","6","P n m a","-P 2ac 2n","62","","","","- C4 H18 N2 O13 Se2 U -","- C4 H18 N2 O13 Se2 U -","- C16 H72 N8 O52 Se8 U4 -","4","0.5","","Gurzhiy, Vladislav V.; Krivovichev, Sergey V.; Tananaev, Ivan G.","Dehydration-driven evolution of topological complexity in ethylamonium uranyl selenates","Journal of Solid State Chemistry","2017","247","","105","112","10.1016/j.jssc.2017.01.005","","","0.71073","MoKα","","0.0557","0.042","","","0.0708","0.0742","","","","","","1.168","","","","has coordinates,has disorder","262194","2021-02-24","10:30:55",""
"1560616","12.7463","0.0011","12.4261","0.0007","14.9928","0.0011","90","","113.433","0.006","90","","2178.8","0.3","293","2","293","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C6 H25 N3 O14 Se3 U -","- C6 H25 N3 O14 Se3 U -","- C24 H100 N12 O56 Se12 U4 -","4","1","","Gurzhiy, Vladislav V.; Krivovichev, Sergey V.; Tananaev, Ivan G.","Dehydration-driven evolution of topological complexity in ethylamonium uranyl selenates","Journal of Solid State Chemistry","2017","247","","105","112","10.1016/j.jssc.2017.01.005","","","0.71073","MoKα","","0.0615","0.0462","","","0.0675","0.0704","","","","","","1.289","","","","has coordinates","262194","2021-02-24","10:30:57",""
"1560617","8.475","0.003","12.264","0.002","10.404","0.003","90","","95.23","0.03","90","","1076.9","0.5","293","2","293","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C2 H9 N O9 Se2 U -","- C2 H9 N O9 Se2 U -","- C8 H36 N4 O36 Se8 U4 -","4","1","","Gurzhiy, Vladislav V.; Krivovichev, Sergey V.; Tananaev, Ivan G.","Dehydration-driven evolution of topological complexity in ethylamonium uranyl selenates","Journal of Solid State Chemistry","2017","247","","105","112","10.1016/j.jssc.2017.01.005","","","0.71073","MoKα","","0.0836","0.0534","","","0.0757","0.0825","","","","","","1.114","","","","has coordinates,has disorder","262194","2021-02-24","10:30:57",""
"1560618","7.5635","0.0015","7.6188","0.0015","12.101","0.002","79.559","0.015","89.272","0.016","82.356","0.016","679.6","0.2","293","2","293","2","","","","","","","","6","P -1","-P 1","2","","","","- C2 H13 N O12 Se2 U -","- C2 H13 N O12 Se2 U -","- C4 H26 N2 O24 Se4 U2 -","2","1","","Gurzhiy, Vladislav V.; Krivovichev, Sergey V.; Tananaev, Ivan G.","Dehydration-driven evolution of topological complexity in ethylamonium uranyl selenates","Journal of Solid State Chemistry","2017","247","","105","112","10.1016/j.jssc.2017.01.005","","","0.71073","MoKα","","0.033","0.0253","","","0.05","0.0518","","","","","","1.066","","","","has coordinates","262194","2021-02-24","10:30:57",""
"1560619","19.6713","0.0016","23.7434","0.0019","9.9624","0.0007","90","","106.842","0.007","90","","4453.5","0.6","100","2","100.15","","","","","","","","","5","C 1 2/m 1","-C 2y","12","","","","- C48 H24 Mn3 N4 O13 -","- C48 H24 Mn3 N4 O13 -","- C96 H48 Mn6 N8 O26 -","2","0.25","","Amayuelas, Eder; Fidalgo-Marijuan, Arkaitz; Bazán, Begoña; Urtiaga, Miren Karmele; Barandika, Gotzone; Lezama, Luis; Arriortua, María Isabel","Cationic Mn 2+ /H + exchange leading a slow solid-state transformation of a 2D porphyrinic network at ambient conditions","Journal of Solid State Chemistry","2017","247","","161","167","10.1016/j.jssc.2017.01.012","","","1.54184","CuKα","","0.1008","0.0798","","","0.2458","0.2677","","","","","","1.0002","","","","has coordinates,has disorder","262195","2021-02-24","10:39:50",""
"1560620","22.3102","0.0004","22.3102","0.0004","12.0095","0.0003","90","","90","","90","","5977.7","0.2","100","2","100.15","","","","","","","","","5","P 4/n b m :2","-P 4a 2b","125","","","","- C50 H26 Mn N4 O12 -","- C50 H26 Mn N4 O12 -","- C200 H104 Mn4 N16 O48 -","4","0.25","","Amayuelas, Eder; Fidalgo-Marijuan, Arkaitz; Bazán, Begoña; Urtiaga, Miren Karmele; Barandika, Gotzone; Lezama, Luis; Arriortua, María Isabel","Cationic Mn 2+ /H + exchange leading a slow solid-state transformation of a 2D porphyrinic network at ambient conditions","Journal of Solid State Chemistry","2017","247","","161","167","10.1016/j.jssc.2017.01.012","","x-ray","1.54184","CuKα","","0.1129","0.0864","","","0.2748","0.3017","","","","","","1.099","","","","has coordinates,has disorder","262195","2021-02-24","10:39:51",""
"1560623","9.1197","0.0005","13.2536","0.0006","13.2132","0.0006","90","","99.554","0.005","90","","1574.91","0.13","150","2","150","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C14 H16 N2 Ni O6 -","- C14 H16 N2 Ni O6 -","- C56 H64 N8 Ni4 O24 -","4","1","","Wu, Jing-Yun; Tsai, Chi-Jou; Chang, Ching-Yun; Wu, Yung-Yuan","Metal-ion exchange induced structural transformation as a way of forming novel Ni(II)− and Cu(II)−salicylaldimine structures","Journal of Solid State Chemistry","2017","246","","23","28","10.1016/j.jssc.2016.10.026","","","0.71073","MoKα","","0.0809","0.0466","","","0.0962","0.1117","","","","","","1.018","","","","has coordinates","262214","2021-02-25","08:46:52",""
"1560624","9.8875","0.0007","14.7625","0.0008","11.9745","0.0009","90","","121.675","0.007","90","","1487.5","0.2","150","2","150","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C14 H16 Cu N2 O6 -","- C14 H16 Cu N2 O6 -","- C56 H64 Cu4 N8 O24 -","4","1","","Wu, Jing-Yun; Tsai, Chi-Jou; Chang, Ching-Yun; Wu, Yung-Yuan","Metal-ion exchange induced structural transformation as a way of forming novel Ni(II)− and Cu(II)−salicylaldimine structures","Journal of Solid State Chemistry","2017","246","","23","28","10.1016/j.jssc.2016.10.026","","","0.71073","MoKα","","0.0577","0.0443","","","0.1095","0.118","","","","","","1.084","","","","has coordinates","262214","2021-02-25","08:46:55",""
"1560625","6.14624","0.00008","6.14624","","11.38463","0.00026","90","","90","","120","","372.451","0.01","","","","","","","","","","","","3","P 63 c m","P 6c -2","185","","","","- Mn O3 Y -","- Mn O3 Y -","- Mn6 O18 Y6 -","6","0.5","","Levin, I.; Krayzman, V.; Vanderah, T.A.; Tomczyk, M.; Wu, H.; Tucker, M.G.; Playford, H.Y.; Woicik, J.C.; Dennis, C.L.; Vilarinho, P.M.","Oxygen-storage behavior and local structure in Ti-substituted YMnO3","Journal of Solid State Chemistry","2017","246","","29","41","10.1016/j.jssc.2016.10.029","","","","","","","","","","","","","","","","","","","","","has coordinates","262215","2021-02-25","08:59:40",""
"1560626","6.18081","0.00005","6.18081","","11.37786","0.00017","90","","90","","120","","376.428","0.006","","","","","","","","","","","","3","P 63 c m","P 6c -2","185","","","","- Mn O3 Y -","- Mn O3 Y -","- Mn6 O18 Y6 -","6","0.5","","Levin, I.; Krayzman, V.; Vanderah, T.A.; Tomczyk, M.; Wu, H.; Tucker, M.G.; Playford, H.Y.; Woicik, J.C.; Dennis, C.L.; Vilarinho, P.M.","Oxygen-storage behavior and local structure in Ti-substituted YMnO3","Journal of Solid State Chemistry","2017","246","","29","41","10.1016/j.jssc.2016.10.029","","","","","","","","","","","","","","","","","","","","","has coordinates","262215","2021-02-25","08:59:40",""
"1560627","6.21121","0.00004","6.21121","","11.37066","0.00014","90","","90","","120","","379.9","0.005","","","","","","","","","","","","3","P 63 c m","P 6c -2","185","","","","- Mn O3 Y -","- Mn O3 Y -","- Mn6 O18 Y6 -","6","0.5","","Levin, I.; Krayzman, V.; Vanderah, T.A.; Tomczyk, M.; Wu, H.; Tucker, M.G.; Playford, H.Y.; Woicik, J.C.; Dennis, C.L.; Vilarinho, P.M.","Oxygen-storage behavior and local structure in Ti-substituted YMnO3","Journal of Solid State Chemistry","2017","246","","29","41","10.1016/j.jssc.2016.10.029","","","","","","","","","","","","","","","","","","","","","has coordinates","262215","2021-02-25","08:59:40",""
"1560628","6.222219","0.000035","6.222219","","11.36779","0.00012","90","","90","","120","","381.151","0.005","","","","","","","","","","","","3","P 63 c m","P 6c -2","185","","","","- Mn O3 Y -","- Mn O3 Y -","- Mn6 O18 Y6 -","6","0.5","","Levin, I.; Krayzman, V.; Vanderah, T.A.; Tomczyk, M.; Wu, H.; Tucker, M.G.; Playford, H.Y.; Woicik, J.C.; Dennis, C.L.; Vilarinho, P.M.","Oxygen-storage behavior and local structure in Ti-substituted YMnO3","Journal of Solid State Chemistry","2017","246","","29","41","10.1016/j.jssc.2016.10.029","","","","","","","","","","","","","","","","","","","","","has coordinates","262215","2021-02-25","08:59:40",""
"1560629","6.24323","0.00005","6.24323","","11.36346","0.00013","90","","90","","120","","383.583","0.005","","","","","","","","","","","","3","P 63 c m","P 6c -2","185","","","","- Mn O3 Y -","- Mn O3 Y -","- Mn6 O18 Y6 -","6","0.5","","Levin, I.; Krayzman, V.; Vanderah, T.A.; Tomczyk, M.; Wu, H.; Tucker, M.G.; Playford, H.Y.; Woicik, J.C.; Dennis, C.L.; Vilarinho, P.M.","Oxygen-storage behavior and local structure in Ti-substituted YMnO3","Journal of Solid State Chemistry","2017","246","","29","41","10.1016/j.jssc.2016.10.029","","","","","","","","","","","","","","","","","","","","","has coordinates","262215","2021-02-25","08:59:40",""
"1560630","6.26324","0.00005","6.26324","","11.35052","0.00014","90","","90","","120","","385.607","0.006","","","","","","","","","","","","3","P 63 c m","P 6c -2","185","","","","- Mn O3 Y -","- Mn O3 Y -","- Mn6 O18 Y6 -","6","0.5","","Levin, I.; Krayzman, V.; Vanderah, T.A.; Tomczyk, M.; Wu, H.; Tucker, M.G.; Playford, H.Y.; Woicik, J.C.; Dennis, C.L.; Vilarinho, P.M.","Oxygen-storage behavior and local structure in Ti-substituted YMnO3","Journal of Solid State Chemistry","2017","246","","29","41","10.1016/j.jssc.2016.10.029","","","","","","","","","","","","","","","","","","","","","has coordinates","262215","2021-02-25","08:59:42",""
"1560631","8.6209","0.0017","9.1518","0.0018","21.858","0.004","93.1","0.03","94.7","0.03","101.28","0.03","1681.2","0.6","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C33 H22 Bi N5 O13 -","- C33 H22 Bi N5 O13 -","- C66 H44 Bi2 N10 O26 -","2","1","","Huang, Ya-Jing; Zheng, Yue-Qing; Wang, Jin-Jian; Zhou, Lin-Xia","A new bismuth-based coordination polymer as an efficient visible light responding photocatalyst under white LED irradiation","Journal of Solid State Chemistry","2017","246","","42","47","10.1016/j.jssc.2016.10.028","","","0.71073","MoKα","","0.0809","0.0733","","","0.1668","0.1717","","","","","","1.097","","","","has coordinates,has disorder","262216","2021-02-25","09:02:54",""
"1560632","9.49312","0.00014","12.55069","0.00016","13.415","0.0002","90","","95.5687","0.0014","90","","1590.79","0.04","293","2","293","2","","","","","","","","5","P 1 2/n 1","-P 2yac","13","","","","- C30 H38 Cu N10 O5 -","- C30 H38 Cu N10 O5 -","- C60 H76 Cu2 N20 O10 -","2","0.5","","Liu, Yaru; Xing, Zhiyan; Zhang, Xiao; Liang, Guorui","Inorganic anion-dependent assembly of zero-, one-, two- and three-dimensional Cu(II)/Ag(I) complexes under the guidance of the HSAB theory: Synthesis, structure, and magnetic property","Journal of Solid State Chemistry","2017","246","","48","56","10.1016/j.jssc.2016.10.030","","","1.54184","CuKα","","0.0354","0.032","","","0.0865","0.0892","","","","","","1.036","","","","has coordinates","262217","2021-02-25","09:09:43",""
"1560633","10.3809","0.0004","11.8849","0.0005","14.2792","0.0004","107.443","0.004","94.911","0.003","100.765","0.003","1632.17","0.11","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C26 H38 Cu N12 O10 -","- C26 H38 Cu N12 O10 -","- C52 H76 Cu2 N24 O20 -","2","1","","Liu, Yaru; Xing, Zhiyan; Zhang, Xiao; Liang, Guorui","Inorganic anion-dependent assembly of zero-, one-, two- and three-dimensional Cu(II)/Ag(I) complexes under the guidance of the HSAB theory: Synthesis, structure, and magnetic property","Journal of Solid State Chemistry","2017","246","","48","56","10.1016/j.jssc.2016.10.030","","","1.5418","CuKα","","0.0837","0.0736","","","0.1932","0.2077","","","","","","1.083","","","","has coordinates,has disorder","262218","2021-02-25","09:11:49",""
"1560634","9.00254","0.00016","15.3645","0.0003","12.4641","0.0002","90","","105.724","0.002","90","","1659.51","0.05","293","2","293","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C13 H16 Cu N11 -","- C13 H16 Cu N11 -","- C52 H64 Cu4 N44 -","4","1","","Liu, Yaru; Xing, Zhiyan; Zhang, Xiao; Liang, Guorui","Inorganic anion-dependent assembly of zero-, one-, two- and three-dimensional Cu(II)/Ag(I) complexes under the guidance of the HSAB theory: Synthesis, structure, and magnetic property","Journal of Solid State Chemistry","2017","246","","48","56","10.1016/j.jssc.2016.10.030","","","1.5418","CuKα","","0.0356","0.0336","","","0.0936","0.0956","","","","","","1.043","","","","has coordinates,has disorder","262219","2021-02-25","09:13:05",""
"1560635","10.1961","0.0005","8.5905","0.0007","17.9763","0.0006","90","","92.663","0.004","90","","1572.84","0.16","293","2","293","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C13 H15 Ag N6 O3 -","- C13 H15 Ag N6 O3 -","- C52 H60 Ag4 N24 O12 -","4","1","","Liu, Yaru; Xing, Zhiyan; Zhang, Xiao; Liang, Guorui","Inorganic anion-dependent assembly of zero-, one-, two- and three-dimensional Cu(II)/Ag(I) complexes under the guidance of the HSAB theory: Synthesis, structure, and magnetic property","Journal of Solid State Chemistry","2017","246","","48","56","10.1016/j.jssc.2016.10.030","","","1.5418","CuKα","","0.044","0.0398","","","0.109","0.1162","","","","","","0.944","","","","has coordinates","262220","2021-02-25","09:14:18",""
"1560636","28.5345","0.0014","9.4368","0.0004","18.1503","0.0007","90","","121.531","0.003","90","","4165.8","0.3","293","2","293","2","","","","","","","","6","C 1 c 1","C -2yc","9","","","","- C33 H37 Cu3 N15 O S4 -","- C33 H37 Cu3 N15 O S4 -","- C132 H148 Cu12 N60 O4 S16 -","4","1","","Liu, Yaru; Xing, Zhiyan; Zhang, Xiao; Liang, Guorui","Inorganic anion-dependent assembly of zero-, one-, two- and three-dimensional Cu(II)/Ag(I) complexes under the guidance of the HSAB theory: Synthesis, structure, and magnetic property","Journal of Solid State Chemistry","2017","246","","48","56","10.1016/j.jssc.2016.10.030","","","1.54184","CuKα","","0.0465","0.0381","","","0.0831","0.0887","","","","","","1.034","","","","has coordinates","262221","2021-02-25","09:15:28",""
"1560637","9.6299","0.0004","8.585","0.0003","5.3077","0.0002","90","","109.716","0.001","90","","413.08","0.03","293","2","293","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- Li O6 Si2 V -","- Li O6 Si2 V -","- Li4 O24 Si8 V4 -","4","0.5","","Ishii, Yuto; Matsushita, Yoshitaka; Oda, Migaku; Yoshida, Hiroyuki","Structural study of quasi-one-dimensional vanadium pyroxene LiVSi2O6 single crystals","Journal of Solid State Chemistry","2017","246","","125","129","10.1016/j.jssc.2016.11.012","","","0.71073","MoKα","","0.0337","0.033","","","0.0799","0.0805","","","","","","1.289","","","","has coordinates","262222","2021-02-25","09:24:58",""
"1560638","9.2814","0.0002","8.5893","0.0002","5.2747","0.0001","90","","103.099","0.001","90","","409.561","0.015","113","2","113","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- Li O6 Si2 V -","- Li O6 Si2 V -","- Li4 O24 Si8 V4 -","4","1","","Ishii, Yuto; Matsushita, Yoshitaka; Oda, Migaku; Yoshida, Hiroyuki","Structural study of quasi-one-dimensional vanadium pyroxene LiVSi2O6 single crystals","Journal of Solid State Chemistry","2017","246","","125","129","10.1016/j.jssc.2016.11.012","","","0.71073","MoKα","","0.0354","0.0338","","","0.0866","0.0885","","","","","","1.196","","","","has coordinates","262222","2021-02-25","09:24:58",""
"1560639","9.191","0.004","11.581","0.005","15.798","0.006","90.241","0.005","100.443","0.005","109.126","0.004","1558.8","1.1","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C30 H23 Eu O9 S4 -","- C30 H23 Eu O9 S4 -","- C60 H46 Eu2 O18 S8 -","2","1","","Ding, Ling; Zhong, Jie-Cen; Qiu, Xing-Tai; Sun, Yan-Qiong; Chen, Yi-Ping","Syntheses, structures, photoluminescence and photocatalysis of 2D layered lanthanide-carboxylates with 2, 2′-dithiodibenzoic acid","Journal of Solid State Chemistry","2017","246","","138","144","10.1016/j.jssc.2016.11.002","","","0.71073","MoKα","","0.0629","0.0395","","","0.0709","0.0772","","","","","","0.958","","","","has coordinates","262223","2021-02-25","09:40:26",""
"1560640","9.086","0.004","11.517","0.004","15.755","0.007","91.025","0.015","99.644","0.019","109.028","0.017","1531.9","1.1","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C30 H23 Dy O9 S4 -","- C30 H23 Dy O9 S4 -","- C60 H46 Dy2 O18 S8 -","2","1","","Ding, Ling; Zhong, Jie-Cen; Qiu, Xing-Tai; Sun, Yan-Qiong; Chen, Yi-Ping","Syntheses, structures, photoluminescence and photocatalysis of 2D layered lanthanide-carboxylates with 2, 2′-dithiodibenzoic acid","Journal of Solid State Chemistry","2017","246","","138","144","10.1016/j.jssc.2016.11.002","","","0.71073","MoKα","","0.0209","0.019","","","0.045","0.0524","","","","","","1.158","","","","has coordinates","262223","2021-02-25","09:40:26",""
"1560641","9.528","0.004","10.518","0.005","16.03","0.009","82.874","0.019","81.967","0.018","78.512","0.015","1551.1","1.3","293","2","293","2","","","","","","","","6","P -1","-P 1","2","","","","- C33 H21 Eu N O8 S4 -","- C33 H21 Eu N O8 S4 -","- C66 H42 Eu2 N2 O16 S8 -","2","1","","Ding, Ling; Zhong, Jie-Cen; Qiu, Xing-Tai; Sun, Yan-Qiong; Chen, Yi-Ping","Syntheses, structures, photoluminescence and photocatalysis of 2D layered lanthanide-carboxylates with 2, 2′-dithiodibenzoic acid","Journal of Solid State Chemistry","2017","246","","138","144","10.1016/j.jssc.2016.11.002","","","0.71073","MoKα","","0.0659","0.0507","","","0.1051","0.1121","","","","","","1.041","","","","has coordinates","262223","2021-02-25","09:40:26",""
"1560642","9.4783","0.0017","10.4894","0.0019","16.024","0.003","82.88","0.006","81.839","0.007","78.812","0.007","1539.4","0.5","293","2","293","2","","","","","","","","6","P -1","-P 1","2","","","","- C33 H21 Dy N O8 S4 -","- C33 H21 Dy N O8 S4 -","- C66 H42 Dy2 N2 O16 S8 -","2","1","","Ding, Ling; Zhong, Jie-Cen; Qiu, Xing-Tai; Sun, Yan-Qiong; Chen, Yi-Ping","Syntheses, structures, photoluminescence and photocatalysis of 2D layered lanthanide-carboxylates with 2, 2′-dithiodibenzoic acid","Journal of Solid State Chemistry","2017","246","","138","144","10.1016/j.jssc.2016.11.002","","","0.71073","MoKα","","0.0426","0.0398","","","0.0861","0.0879","","","","","","1.082","","","","has coordinates","262223","2021-02-25","09:40:27",""
"1560643","9.471","0.01","10.484","0.016","15.988","0.003","82.752","0.007","81.828","0.005","78.795","0.004","1533","3","293","2","293","2","","","","","","","","6","P -1","-P 1","2","","","","- C33 H21 N O8 S4 Tb -","- C33 H19 N O8 S4 Tb -","- C66 H38 N2 O16 S8 Tb2 -","2","1","","Ding, Ling; Zhong, Jie-Cen; Qiu, Xing-Tai; Sun, Yan-Qiong; Chen, Yi-Ping","Syntheses, structures, photoluminescence and photocatalysis of 2D layered lanthanide-carboxylates with 2, 2′-dithiodibenzoic acid","Journal of Solid State Chemistry","2017","246","","138","144","10.1016/j.jssc.2016.11.002","","","0.71073","MoKα","","0.0641","0.0457","","","0.0862","0.0927","","","","","","1.047","","","","has coordinates","262223","2021-02-25","09:40:27",""
"1560644","3.2387","0.0007","3.2387","0.0007","41.779","0.011","90","","90","","120","","379.52","0.15","123","2","123","2","","","","","","","","4","R -3 m :H","-R 3 2""","166","","","","- Ga O6 Sn0.5 Zn3.5 -","- Ga O6 Sn0.5 Zn3.5 -","- Ga3 O18 Sn1.5 Zn10.5 -","3","0.0833333","","Eichhorn, Simon; Schmid, Herbert; Assenmacher, Wilfried; Mader, Werner","Homologous compounds of type ARO3(ZnO) in the system Ga-Sn-Zn-O","Journal of Solid State Chemistry","2017","246","","214","220","10.1016/j.jssc.2016.11.031","","x-ray","0.71073","MoKα","","0.064","0.047","","","0.0676","0.0735","","","","","","0.913","","","","has coordinates","262224","2021-02-25","09:48:40",""
"1560645","10.1158","0.0004","23.1654","0.001","30.3969","0.0011","90","","109.12","0.001","90","","6730.2","0.5","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C66 H64 Mn4 N6 O28 -","- C66 H64 Mn4 N6 O28 -","- C264 H256 Mn16 N24 O112 -","4","1","","Li, Xiao-Ling; Liu, Guang-Zhen; Xin, Ling-Yun; Wang, Li-Ya","Binuclear and tetranuclear Mn(II) clusters in coordination polymers derived from semirigid tetracarboxylate and N‑donor ligands: syntheses, new topology structures and magnetism","Journal of Solid State Chemistry","2017","246","","252","257","10.1016/j.jssc.2016.11.030","","","0.71073","MoKα","","0.0655","0.0458","","","0.1047","0.1146","","","","","","1.022","","","","has coordinates","262226","2021-02-25","09:56:10",""
"1560646","15.8885","0.0008","12.5407","0.0008","22.9053","0.0014","90","","104.559","0.002","90","","4417.4","0.5","296","2","296","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C22 H15 Mn2 N2 O11 -","- C22 H15 Mn2 N2 O11 -","- C176 H120 Mn16 N16 O88 -","8","1","","Li, Xiao-Ling; Liu, Guang-Zhen; Xin, Ling-Yun; Wang, Li-Ya","Binuclear and tetranuclear Mn(II) clusters in coordination polymers derived from semirigid tetracarboxylate and N‑donor ligands: syntheses, new topology structures and magnetism","Journal of Solid State Chemistry","2017","246","","252","257","10.1016/j.jssc.2016.11.030","","","0.71073","MoKα","","0.0332","0.0292","","","0.0844","0.0872","","","","","","1.044","","","","has coordinates","262226","2021-02-25","09:56:10",""
"1560647","15.7092","0.0012","28.162","0.002","16.6588","0.0012","90","","108.523","0.001","90","","6988.1","0.9","296","2","296","2","","","","","","","","7","P 1 21 1","P 2yb","4","","","","- C120 H120 Ag6 N20 O40 V W12 -","- C120 H120 Ag6 N20 O40 V W12 -","- C240 H240 Ag12 N40 O80 V2 W24 -","2","1","","Zheng, Ran; Zhang, Huixia; Liu, Yunping; Wang, Xiaoxiao; Han, Zhangang","Ag-ligand modified tungstovandates and their efficient catalysis degradation properties for methylene blue","Journal of Solid State Chemistry","2017","246","","258","263","10.1016/j.jssc.2016.11.037","","","0.71073","MoKα","","0.0717","0.0529","","","0.1215","0.1336","","","","","","1.06","","","","has coordinates","262227","2021-02-25","10:01:54",""
"1560648","12.3421","0.0004","14.101","0.0005","20.3379","0.0007","97.144","0.001","103.814","0.001","98.742","0.001","3349.3","0.2","296","2","296","2","","","","","","","","7","P -1","-P 1","2","","","","- C60 H60 Ag3 N10 O20 V W5 -","- C60 H60 Ag3 N10 O20 V W5 -","- C120 H120 Ag6 N20 O40 V2 W10 -","2","1","","Zheng, Ran; Zhang, Huixia; Liu, Yunping; Wang, Xiaoxiao; Han, Zhangang","Ag-ligand modified tungstovandates and their efficient catalysis degradation properties for methylene blue","Journal of Solid State Chemistry","2017","246","","258","263","10.1016/j.jssc.2016.11.037","","","0.71073","MoKα","","0.0367","0.0283","","","0.0736","0.0781","","","","","","0.998","","","","has coordinates,has disorder","262227","2021-02-25","10:01:54",""
"1560649","16.635","0.005","26.793","0.005","8.07","0.005","90","0.005","101.329","0.005","90","0.005","3527","3","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C21 H27 Gd N6 O7 -","- C21 H27 Gd N6 O7 -","- C84 H108 Gd4 N24 O28 -","4","1","","Tang, Qun; Li, Peng-Fei; Zou, Zhi-Ming; Liu, Zheng; Liu, Shu-Xia","A novel cryogenic magnetic refrigerant metal-organic framework based on 1D gadolinium(III) chain","Journal of Solid State Chemistry","2017","246","","329","333","10.1016/j.jssc.2016.12.007","","","0.71069","MoKα","","0.0534","0.0376","","","0.0776","0.08","","","","","","1.044","","","","has coordinates","262228","2021-02-25","10:07:21",""
"1560650","7.504","0.0014","14.746","0.003","18.04","0.003","85.259","0.005","89.586","0.005","77.667","0.004","1943.3","0.6","296","2","296","2","","","","","","","","5","P -1","-P 1","2","","","","- C40 H20 Mg2 N4 O19 -","- C40 H20 Mg2 N4 O19 -","- C80 H40 Mg4 N8 O38 -","2","1","","Kong, Aiguo; Fan, Xiaohong; Chen, Aoling; Zhang, Hengiang; Shan, Yongkui","Mesoporous nitrogen-doped carbon microfibers derived from Mg-biquinoline-dicarboxy compound for efficient oxygen electroreduction","Journal of Solid State Chemistry","2017","246","","399","403","10.1016/j.jssc.2016.12.015","","","0.71073","MoKα","","0.1593","0.0918","","","0.2389","0.2761","","","","","","0.991","","","","has coordinates,has disorder","262229","2021-02-25","10:15:55",""
"1560651","12.141","0.0006","6.7307","0.0002","14.5517","0.0005","90","","90.174","0.004","90","","1189.12","0.08","293","","293","","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- Na2 O12 Se4 Zn3 -","- Na2 O12 Se4 Zn3 -","- Na8 O48 Se16 Zn12 -","4","0.5","","Lü, Minfeng; Jo, Hongil; Oh, Seung-Jin; Ok, Kang Min","Variable dimensionality and framework found in a series of quaternary zinc selenites, A 2 Zn 3 (SeO 3 ) 4 · x H 2 O (A = Na, Rb, and Cs; 0≤ x ≤1) and Cs 2 Zn 2 (SeO 3 ) 3 ·2H 2 O","Journal of Solid State Chemistry","2017","245","","1","9","10.1016/j.jssc.2016.09.031","","x-ray","0.71073","MoKα","","0.0358","0.0238","","","0.0252","0.0267","","","","1.37","1.37","1.29","","","","has coordinates","262230","2021-02-25","10:23:51",""
"1560652","14.0633","0.0001","7.1025","0.0002","14.6078","0.0002","90","","94.3127","0.0014","90","","1454.96","0.05","293","","293","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- O12 Rb2 Se4 Zn3 -","- O12 Rb2 Se4 Zn3 -","- O48 Rb8 Se16 Zn12 -","4","1","","Lü, Minfeng; Jo, Hongil; Oh, Seung-Jin; Ok, Kang Min","Variable dimensionality and framework found in a series of quaternary zinc selenites, A 2 Zn 3 (SeO 3 ) 4 · x H 2 O (A = Na, Rb, and Cs; 0≤ x ≤1) and Cs 2 Zn 2 (SeO 3 ) 3 ·2H 2 O","Journal of Solid State Chemistry","2017","245","","1","9","10.1016/j.jssc.2016.09.031","","x-ray","0.71073","MoKα","","0.0746","0.041","","","0.038","0.0422","","","","1.37","1.37","1.21","","","","has coordinates","262230","2021-02-25","10:23:51",""
"1560653","7.209","0.0003","7.5447","0.0003","14.6494","0.0005","87.627","0.002","86.869","0.002","73.756","0.002","763.54","0.05","293","","293","","","","","","","","","4","P -1","-P 1","2","","","","- Cs2 O12 Se4 Zn3 -","- Cs2 O12 Se4 Zn3 -","- Cs4 O24 Se8 Zn6 -","2","1","","Lü, Minfeng; Jo, Hongil; Oh, Seung-Jin; Ok, Kang Min","Variable dimensionality and framework found in a series of quaternary zinc selenites, A 2 Zn 3 (SeO 3 ) 4 · x H 2 O (A = Na, Rb, and Cs; 0≤ x ≤1) and Cs 2 Zn 2 (SeO 3 ) 3 ·2H 2 O","Journal of Solid State Chemistry","2017","245","","1","9","10.1016/j.jssc.2016.09.031","","x-ray","0.71073","MoKα","","0.0559","0.0447","","","0.0559","0.0576","","","","2.38","2.38","2.19","","","","has coordinates","262230","2021-02-25","10:23:51",""
"1560654","7.8035","0.0001","13.4609","0.0002","30.154","0.0005","90","","90.4219","0.0011","90","","3167.35","0.08","293","","293","","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- Cs4 H4 O26 Se8 Zn6 -","- Cs4 H4 O26 Se8 Zn6 -","- Cs16 H16 O104 Se32 Zn24 -","4","1","","Lü, Minfeng; Jo, Hongil; Oh, Seung-Jin; Ok, Kang Min","Variable dimensionality and framework found in a series of quaternary zinc selenites, A 2 Zn 3 (SeO 3 ) 4 · x H 2 O (A = Na, Rb, and Cs; 0≤ x ≤1) and Cs 2 Zn 2 (SeO 3 ) 3 ·2H 2 O","Journal of Solid State Chemistry","2017","245","","1","9","10.1016/j.jssc.2016.09.031","","x-ray","0.71073","MoKα","","0.0928","0.0369","","","0.0341","0.0397","","","","1.2","1.2","1.02","","","","has coordinates","262230","2021-02-25","10:23:51",""
"1560655","7.5093","0.0003","9.7918","0.0004","9.9128","0.0004","77.0869","0.0019","72.8487","0.0018","88.32","0.002","678.33","0.05","293","","293","","","","","","","","","5","P -1","-P 1","2","","","","- Cs2 H4 O11 Se3 Zn2 -","- Cs2 H4 O11 Se3 Zn2 -","- Cs4 H8 O22 Se6 Zn4 -","2","1","","Lü, Minfeng; Jo, Hongil; Oh, Seung-Jin; Ok, Kang Min","Variable dimensionality and framework found in a series of quaternary zinc selenites, A 2 Zn 3 (SeO 3 ) 4 · x H 2 O (A = Na, Rb, and Cs; 0≤ x ≤1) and Cs 2 Zn 2 (SeO 3 ) 3 ·2H 2 O","Journal of Solid State Chemistry","2017","245","","1","9","10.1016/j.jssc.2016.09.031","","x-ray","0.71073","MoKα","","0.0698","0.0359","","","0.0334","0.0368","","","","1.29","1.29","1.13","","","","has coordinates","262230","2021-02-25","10:23:51",""
"1560656","8.1266","0.0006","8.1266","0.0006","6.9236","0.0007","90","","90","","120","","395.99","0.06","296","","296","","","","","","","","","6","P 63 2 2","P 6c 2c","182","","","","- C9.52 H19.2 Cr0.46 N1.54 Ni1.54 O12 -","- C9.5196 H6 Cr0.46 N1.5396 Ni1.54 O12 -","- C9.5196 H6 Cr0.46 N1.5396 Ni1.54 O12 -","1","0.0833333","","Mączka, Mirosław; Gągor, Anna; Hanuza, Jerzy; Pikul, Adam; Drozd, Marek","Synthesis and characterization of two novel chiral-type formate frameworks templated by protonated diethylamine and ammonium cations","Journal of Solid State Chemistry","2017","245","","23","29","10.1016/j.jssc.2016.10.005","powder diffraction","x-ray","1.54051","","","0.0603","0.054","","0.0635","0.0631","","","","3.63","","","","","","","has coordinates","262255","2021-02-26","09:23:14",""
"1560657","8.1246","0.0002","8.1246","0.0002","7.0011","0.0003","90","","90","","120","","400.22","0.02","296","2","296","2","","","","","","","","6","P 63 2 2","P 6c 2c","182","","","","- C9.76 H19.52 Fe0.5 N1.5 Ni1.5 O12 -","- C9.7596 H7.8792 Fe0.4998 N1.4988 Ni1.5002 O12 -","- C9.7596 H7.8792 Fe0.4998 N1.4988 Ni1.5002 O12 -","1","0.0833333","","Mączka, Mirosław; Gągor, Anna; Hanuza, Jerzy; Pikul, Adam; Drozd, Marek","Synthesis and characterization of two novel chiral-type formate frameworks templated by protonated diethylamine and ammonium cations","Journal of Solid State Chemistry","2017","245","","23","29","10.1016/j.jssc.2016.10.005","","x-ray","0.71073","MoKα","","0.0337","0.0274","","","0.0601","0.0621","","","","","","1.196","","","","has coordinates,has disorder","262255","2021-02-26","09:23:15",""
"1560658","19.0075","0.0018","21.366","0.002","23.337","0.002","90","","108.588","0.003","90","","8983.1","1.4","223","2","223","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C60 H108 Cd2 Ce Cl8 N24 O30 -","- C60 H72 Cd2 Ce Cl8 N24 O25 -","- C240 H288 Cd8 Ce4 Cl32 N96 O100 -","4","1","","Zheng, Li-Mei; Liu, Jing-Xin","Lanthanide contraction effect on crystal structures of lanthanide coordination polymers with cyclohexanocucurbit[6]uril ligand","Journal of Solid State Chemistry","2017","245","","45","49","10.1016/j.jssc.2016.10.008","","","0.71073","MoKα","","0.0759","0.0536","","","0.1579","0.1765","","","","","","1.013","","","","has coordinates","262256","2021-02-26","09:41:14",""
"1560659","18.9832","0.0014","21.1627","0.0016","23.18","0.0017","90","","109.603","0.001","90","","8772.5","1.1","293","2","296","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C60 H100 Cd2 Cl8 Dy N25 O28 -","- C60 H72 Cd2 Cl8 Dy N25 O28 -","- C240 H288 Cd8 Cl32 Dy4 N100 O112 -","4","1","","Zheng, Li-Mei; Liu, Jing-Xin","Lanthanide contraction effect on crystal structures of lanthanide coordination polymers with cyclohexanocucurbit[6]uril ligand","Journal of Solid State Chemistry","2017","245","","45","49","10.1016/j.jssc.2016.10.008","","","0.71073","MoKα","","0.0519","0.0426","","","0.1264","0.1343","","","","","","1.015","","","","has coordinates,has disorder","262256","2021-02-26","09:41:18",""
"1560660","18.924","0.004","21.154","0.004","23.164","0.004","90","","109.343","0.005","90","","8750","3","293","2","296","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C60 H104 Cd2 Cl8 Gd N25 O30 -","- C60 H72 Cd2 Cl8 Gd N25 O29 -","- C240 H288 Cd8 Cl32 Gd4 N100 O116 -","4","1","","Zheng, Li-Mei; Liu, Jing-Xin","Lanthanide contraction effect on crystal structures of lanthanide coordination polymers with cyclohexanocucurbit[6]uril ligand","Journal of Solid State Chemistry","2017","245","","45","49","10.1016/j.jssc.2016.10.008","","","0.71073","MoKα","","0.073","0.0593","","","0.1785","0.1901","","","","","","1.022","","","","has coordinates,has disorder","262256","2021-02-26","09:41:20",""
"1560661","29.417","0.0017","16.7935","0.001","18.281","0.002","90","","125.898","0.001","90","","7315.7","1","223","2","223","2","","","","","","","","6","C 1 c 1","C -2yc","9","","","","- C60 H98 Cd Cl4 N24 O24 -","- C60 H72 Cd Cl4 N24 O19 -","- C240 H288 Cd4 Cl16 N96 O76 -","4","1","","Zheng, Li-Mei; Liu, Jing-Xin","Lanthanide contraction effect on crystal structures of lanthanide coordination polymers with cyclohexanocucurbit[6]uril ligand","Journal of Solid State Chemistry","2017","245","","45","49","10.1016/j.jssc.2016.10.008","","","0.71073","MoKα","","0.0586","0.0556","","","0.1517","0.1555","","","","","","1.013","","","","has coordinates","262256","2021-02-26","09:41:20",""
"1560662","19.087","0.016","21.406","0.019","23.42","0.02","90","","108.428","0.01","90","","9078","14","223","2","223","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C60 H108 Cd2 Cl8 La N24 O30 -","- C60 H72 Cd2 Cl8 La N24 O24 -","- C240 H288 Cd8 Cl32 La4 N96 O96 -","4","1","","Zheng, Li-Mei; Liu, Jing-Xin","Lanthanide contraction effect on crystal structures of lanthanide coordination polymers with cyclohexanocucurbit[6]uril ligand","Journal of Solid State Chemistry","2017","245","","45","49","10.1016/j.jssc.2016.10.008","","","0.71073","MoKα","","0.0934","0.059","","","0.1575","0.1821","","","","","","1.015","","","","has coordinates","262256","2021-02-26","09:41:21",""
"1560663","18.916","0.005","21.139","0.006","23.229","0.006","90","","109.079","0.005","90","","8778","4","293","2","293","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C120 H216 Cd4 Cl16 N48 Nd2 O60 -","- C120 H144 Cd4 Cl16 N48 Nd2 O44 -","- C240 H288 Cd8 Cl32 N96 Nd4 O88 -","2","0.5","","Zheng, Li-Mei; Liu, Jing-Xin","Lanthanide contraction effect on crystal structures of lanthanide coordination polymers with cyclohexanocucurbit[6]uril ligand","Journal of Solid State Chemistry","2017","245","","45","49","10.1016/j.jssc.2016.10.008","","","0.71073","MoKα","","0.0809","0.0604","","","0.1746","0.1938","","","","","","1.018","","","","has coordinates,has disorder","262256","2021-02-26","09:41:21",""
"1560664","19.079","0.008","21.41","0.009","23.413","0.01","90","","108.886","0.012","90","","9049","7","293","2","293","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C60 H106 Cd2 Cl8 N24 O29 Pr -","- C60 H72 Cd2 Cl8 N24 O23 Pr -","- C240 H288 Cd8 Cl32 N96 O92 Pr4 -","4","1","","Zheng, Li-Mei; Liu, Jing-Xin","Lanthanide contraction effect on crystal structures of lanthanide coordination polymers with cyclohexanocucurbit[6]uril ligand","Journal of Solid State Chemistry","2017","245","","45","49","10.1016/j.jssc.2016.10.008","","","0.71073","MoKα","","0.0678","0.048","","","0.135","0.1467","","","","","","1.004","","","","has coordinates","262256","2021-02-26","09:41:21",""
"1560665","18.964","0.003","21.272","0.003","23.239","0.004","90","","109.333","0.006","90","","8846","2","293","2","293","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C60 H104 Cd2 Cl8 N24 O28 Sm -","- C60 H72 Cd2 Cl8 N24 O21 Sm -","- C240 H288 Cd8 Cl32 N96 O84 Sm4 -","4","1","","Zheng, Li-Mei; Liu, Jing-Xin","Lanthanide contraction effect on crystal structures of lanthanide coordination polymers with cyclohexanocucurbit[6]uril ligand","Journal of Solid State Chemistry","2017","245","","45","49","10.1016/j.jssc.2016.10.008","","","0.71073","MoKα","","0.054","0.045","","","0.1331","0.1414","","","","","","1.002","","","","has coordinates,has disorder","262256","2021-02-26","09:41:21",""
"1560666","19.0204","0.0016","21.1359","0.0018","23.165","0.0019","90","","109.292","0.001","90","","8789.7","1.3","293","2","296","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C60 H100 Cd2 Cl8 N25 O28 Tb -","- C60 H72 Cd2 Cl8 N25 O26 Tb -","- C240 H288 Cd8 Cl32 N100 O104 Tb4 -","4","1","","Zheng, Li-Mei; Liu, Jing-Xin","Lanthanide contraction effect on crystal structures of lanthanide coordination polymers with cyclohexanocucurbit[6]uril ligand","Journal of Solid State Chemistry","2017","245","","45","49","10.1016/j.jssc.2016.10.008","","","0.71073","MoKα","","0.0516","0.0419","","","0.1231","0.1294","","","","","","1.017","","","","has coordinates","262256","2021-02-26","09:41:21",""
"1560667","29.452","0.008","16.881","0.005","18.244","0.006","90","","125.881","0.007","90","","7349","4","223","2","223","2","","","","","","","","6","C 1 c 1","C -2yc","9","","","","- C60 H98 Cd Cl4 N24 O24 -","- C60 H72 Cd Cl4 N24 O19 -","- C240 H288 Cd4 Cl16 N96 O76 -","4","1","","Zheng, Li-Mei; Liu, Jing-Xin","Lanthanide contraction effect on crystal structures of lanthanide coordination polymers with cyclohexanocucurbit[6]uril ligand","Journal of Solid State Chemistry","2017","245","","45","49","10.1016/j.jssc.2016.10.008","","","0.71073","MoKα","","0.0942","0.0863","","","0.2375","0.2449","","","","","","1.026","","","","has coordinates","262256","2021-02-26","09:41:21",""
"1560668","29.3272","0.0018","16.7251","0.0009","18.23","0.001","90","","125.95","0.002","90","","7238.7","0.7","223","2","223","2","","","","","","","","6","C 1 c 1","C -2yc","9","","","","- C60 H96 Cd Cl4 N24 O23 -","- C60 H72 Cd Cl4 N24 O19 -","- C240 H288 Cd4 Cl16 N96 O76 -","4","1","","Zheng, Li-Mei; Liu, Jing-Xin","Lanthanide contraction effect on crystal structures of lanthanide coordination polymers with cyclohexanocucurbit[6]uril ligand","Journal of Solid State Chemistry","2017","245","","45","49","10.1016/j.jssc.2016.10.008","","","0.71073","MoKα","","0.0494","0.0482","","","0.1353","0.1368","","","","","","1.008","","","","has coordinates","262256","2021-02-26","09:41:21",""
"1560669","9.947","0.0018","10.8985","0.0019","12.115","0.002","98.488","0.003","91.272","0.003","115.376","0.003","1168.3","0.4","296","2","296","2","","","","","","","","6","P -1","-P 1","2","","","","- C40 H24 Eu2 N8 O22 S4 -","- C40 H24 Eu2 N8 O22 S4 -","- C40 H24 Eu2 N8 O22 S4 -","1","0.5","","Zhao, Hui; Sun, Xiao-Xia; Hu, Huai-Ming; An, Ran; Yang, Meng-Lin; Xue, Ganglin","Syntheses, structures and luminescent properties of lanthanide coordination polymers assembled from imidazophenanthroline derivative and oxalate ligands","Journal of Solid State Chemistry","2017","245","","67","73","10.1016/j.jssc.2016.09.033","","","0.71073","MoKα","","0.0548","0.0418","","","0.0817","0.0876","","","","","","1.022","","","","has coordinates","262257","2021-02-26","09:54:17",""
"1560670","9.896","0.002","10.818","0.002","12.129","0.003","98.549","0.003","91.24","0.003","115.143","0.004","1157.2","0.4","296","2","296","2","","","","","","","","6","P -1","-P 1","2","","","","- C40 H20 N8 O22 S4 Tb2 -","- C40 H20 N8 O22 S4 Tb2 -","- C40 H20 N8 O22 S4 Tb2 -","1","0.5","","Zhao, Hui; Sun, Xiao-Xia; Hu, Huai-Ming; An, Ran; Yang, Meng-Lin; Xue, Ganglin","Syntheses, structures and luminescent properties of lanthanide coordination polymers assembled from imidazophenanthroline derivative and oxalate ligands","Journal of Solid State Chemistry","2017","245","","67","73","10.1016/j.jssc.2016.09.033","","","0.71073","MoKα","","0.0877","0.0768","","","0.1839","0.1914","","","","","","1.053","","","","has coordinates","262257","2021-02-26","09:54:18",""
"1560671","9.8513","0.001","10.7632","0.0011","12.1556","0.0013","98.705","0.002","91.312","0.002","115.134","0.002","1147.9","0.2","296","2","296","2","","","","","","","","6","P -1","-P 1","2","","","","- C40 H32 Dy2 N8 O22 S4 -","- C40 H32 Dy2 N8 O22 S4 -","- C40 H32 Dy2 N8 O22 S4 -","1","0.5","","Zhao, Hui; Sun, Xiao-Xia; Hu, Huai-Ming; An, Ran; Yang, Meng-Lin; Xue, Ganglin","Syntheses, structures and luminescent properties of lanthanide coordination polymers assembled from imidazophenanthroline derivative and oxalate ligands","Journal of Solid State Chemistry","2017","245","","67","73","10.1016/j.jssc.2016.09.033","","","0.71073","MoKα","","0.0258","0.0233","","","0.0554","0.0566","","","","","","1.033","","","","has coordinates","262257","2021-02-26","09:54:18",""
"1560672","9.8198","0.0018","10.72","0.002","12.168","0.002","98.762","0.003","91.241","0.003","115.107","0.003","1141","0.4","296","2","296","2","","","","","","","","6","P -1","-P 1","2","","","","- C40 H32 Ho2 N8 O22 S4 -","- C40 H20 Ho2 N8 O22 S4 -","- C40 H20 Ho2 N8 O22 S4 -","1","0.5","","Zhao, Hui; Sun, Xiao-Xia; Hu, Huai-Ming; An, Ran; Yang, Meng-Lin; Xue, Ganglin","Syntheses, structures and luminescent properties of lanthanide coordination polymers assembled from imidazophenanthroline derivative and oxalate ligands","Journal of Solid State Chemistry","2017","245","","67","73","10.1016/j.jssc.2016.09.033","","","0.71073","MoKα","","0.0667","0.0552","","","0.125","0.1335","","","","","","1.02","","","","has coordinates","262257","2021-02-26","09:54:18",""
"1560673","9.875","0.006","10.763","0.006","12.277","0.007","98.756","0.011","91.256","0.011","115.101","0.011","1162.4","1.2","296","2","296","2","","","","","","","","6","P -1","-P 1","2","","","","- C40 H32 Er2 N8 O22 S4 -","- C40 H20 Er2 N8 O22 S4 -","- C40 H20 Er2 N8 O22 S4 -","1","0.5","","Zhao, Hui; Sun, Xiao-Xia; Hu, Huai-Ming; An, Ran; Yang, Meng-Lin; Xue, Ganglin","Syntheses, structures and luminescent properties of lanthanide coordination polymers assembled from imidazophenanthroline derivative and oxalate ligands","Journal of Solid State Chemistry","2017","245","","67","73","10.1016/j.jssc.2016.09.033","","","0.71073","MoKα","","0.1276","0.0852","","","0.1885","0.2178","","","","","","0.981","","","","has coordinates","262257","2021-02-26","09:54:18",""
"1560674","9.755","0.002","10.621","0.002","12.21","0.003","98.866","0.004","91.245","0.004","114.723","0.003","1130.1","0.4","296","2","296","2","","","","","","","","6","P -1","-P 1","2","","","","- C40 H24 N8 O22 S4 Yb2 -","- C40 H24 N8 O22 S4 Yb2 -","- C40 H24 N8 O22 S4 Yb2 -","1","0.5","","Zhao, Hui; Sun, Xiao-Xia; Hu, Huai-Ming; An, Ran; Yang, Meng-Lin; Xue, Ganglin","Syntheses, structures and luminescent properties of lanthanide coordination polymers assembled from imidazophenanthroline derivative and oxalate ligands","Journal of Solid State Chemistry","2017","245","","67","73","10.1016/j.jssc.2016.09.033","","","0.71073","MoKα","","0.0787","0.0499","","","0.0769","0.0858","","","","","","0.975","","","","has coordinates","262257","2021-02-26","09:54:18",""
"1560675","9.842","0.004","10.726","0.004","12.166","0.008","98.632","0.01","91.294","0.011","115.071","0.007","1144.8","1","296","2","296","2","","","","","","","","6","P -1","-P 1","2","","","","- C40 H20 N8 O22 S4 Y2 -","- C40 H20 N8 O22 S4 Y2 -","- C40 H20 N8 O22 S4 Y2 -","1","0.5","","Zhao, Hui; Sun, Xiao-Xia; Hu, Huai-Ming; An, Ran; Yang, Meng-Lin; Xue, Ganglin","Syntheses, structures and luminescent properties of lanthanide coordination polymers assembled from imidazophenanthroline derivative and oxalate ligands","Journal of Solid State Chemistry","2017","245","","67","73","10.1016/j.jssc.2016.09.033","","","0.71073","MoKα","","0.1567","0.1156","","","0.2807","0.3144","","","","","","1.074","","","","has coordinates","262257","2021-02-26","09:54:18",""
"1560676","9.515","0.007","10.257","0.008","15.309","0.012","76.429","0.01","76.402","0.011","76.309","0.011","1385.4","1.8","296","2","296","2","","","","","","","","6","P -1","-P 1","2","","","","- C21 H23 N4 Nd O16 S2 -","- C21 H23 N4 Nd O16 S2 -","- C42 H46 N8 Nd2 O32 S4 -","2","1","","Zhao, Hui; Sun, Xiao-Xia; Hu, Huai-Ming; An, Ran; Yang, Meng-Lin; Xue, Ganglin","Syntheses, structures and luminescent properties of lanthanide coordination polymers assembled from imidazophenanthroline derivative and oxalate ligands","Journal of Solid State Chemistry","2017","245","","67","73","10.1016/j.jssc.2016.09.033","","","0.71073","MoKα","","0.0281","0.0263","","","0.069","0.0704","","","","","","1.037","","","","has coordinates","279031","2022-11-07","10:58:29",""
"1560677","9.4871","0.0014","10.0898","0.0016","15.174","0.002","76.306","0.002","76.246","0.002","76.33","0.002","1345.6","0.3","296","2","296","2","","","","","","","","6","P -1","-P 1","2","","","","- C21 H23 N4 O16 S2 Sm -","- C21 H23 N4 O16 S2 Sm -","- C42 H46 N8 O32 S4 Sm2 -","2","1","","Zhao, Hui; Sun, Xiao-Xia; Hu, Huai-Ming; An, Ran; Yang, Meng-Lin; Xue, Ganglin","Syntheses, structures and luminescent properties of lanthanide coordination polymers assembled from imidazophenanthroline derivative and oxalate ligands","Journal of Solid State Chemistry","2017","245","","67","73","10.1016/j.jssc.2016.09.033","","","0.71073","MoKα","","0.0512","0.0426","","","0.1143","0.1207","","","","","","1.051","","","","has coordinates","279031","2022-11-07","10:58:29",""
"1560678","15.492","0.0014","6.9701","0.0005","22.633","0.002","90","","104.161","0.002","90","","2369.7","0.3","298","2","298","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C25 H24 N2 O6 Sr -","- C25 H24 N2 O6 Sr -","- C100 H96 N8 O24 Sr4 -","4","1","","Meng, Jiang Ping; Yan, Zhi Shuo; Long, Ji Ying; Gong, Yun; Lin, Jian Hua","Band gaps and photocurrent responses of two novel alkaline earth metal(II) complexes based on 4,5-di(4′-carboxylphenyl)benzene","Journal of Solid State Chemistry","2017","245","","74","81","10.1016/j.jssc.2016.10.007","","","0.71073","MoKα","","0.0702","0.0474","","","0.1161","0.123","","","","","","1.108","","","","has coordinates","262258","2021-02-26","10:05:04",""
"1560679","19.0308","0.0016","12.4274","0.0011","7.8399","0.0007","90","","101.846","0.002","90","","1814.7","0.3","298","2","298","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C20 H16 Ba O6 -","- C20 H16 Ba O6 -","- C80 H64 Ba4 O24 -","4","1","","Meng, Jiang Ping; Yan, Zhi Shuo; Long, Ji Ying; Gong, Yun; Lin, Jian Hua","Band gaps and photocurrent responses of two novel alkaline earth metal(II) complexes based on 4,5-di(4′-carboxylphenyl)benzene","Journal of Solid State Chemistry","2017","245","","74","81","10.1016/j.jssc.2016.10.007","","","0.71073","MoKα","","0.0585","0.0446","","","0.1123","0.1232","","","","","","1.016","","","","has coordinates","262258","2021-02-26","10:05:05",""
"1560680","13.48","0.004","13.79","0.004","13.99","0.004","90","","90","","90","","2600.6","1.3","293","2","293","2","","","","","","","","4","A e a 2","A 2 -2ab","41","","","","- Ga S9 Sb Y4 -","- Ga S9 Sb Y4 -","- Ga8 S72 Sb8 Y32 -","8","1","","Wang, Yue; Zou, Xiaochuan; Feng, Xia; Shi, Yongfang; Wu, Liming","Quaternary non-centrosymmetric sulfide Y 4 GaSbS 9 : Syntheses, structures, optical properties and theoretical studies","Journal of Solid State Chemistry","2017","245","","110","114","10.1016/j.jssc.2016.10.012","","","0.71073","MoKα","","0.0214","0.0192","","","0.0314","0.0321","","","","","","0.901","","","","has coordinates","262259","2021-02-26","10:09:44",""
"1560681","5.4278","0.0005","6.8421","0.0006","9.1696","0.0009","90","","96.48","0.002","90","","338.36","0.05","293","2","293","2","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","","","- As2 Mn3 O8 -","- As2 Mn3 O8 -","- As4 Mn6 O16 -","2","0.5","","Weil, Matthias; Kremer, Reinhard K.","Crystal growth and crystal structures of six novel phases in the Mn/As/O/Cl(Br) system, as well as magnetic properties of α -Mn 3 (AsO 4 ) 2","Journal of Solid State Chemistry","2017","245","","115","126","10.1016/j.jssc.2016.09.027","","","0.71073","MoKα","","0.023","0.0215","","","0.0529","0.0539","","","","","","1.105","","","","has coordinates","262260","2021-02-26","10:15:22",""
"1560682","9.1129","0.0008","11.7658","0.0011","6.4204","0.0006","90","","98.727","0.002","90","","680.43","0.11","296","2","296","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- As2 Mn3 O8 -","- As2 Mn3 O8 -","- As8 Mn12 O32 -","4","1","","Weil, Matthias; Kremer, Reinhard K.","Crystal growth and crystal structures of six novel phases in the Mn/As/O/Cl(Br) system, as well as magnetic properties of α -Mn 3 (AsO 4 ) 2","Journal of Solid State Chemistry","2017","245","","115","126","10.1016/j.jssc.2016.09.027","","","0.71073","MoKα","","0.0183","0.0159","","","0.0396","0.0402","","","","","","1.075","","","","has coordinates","262260","2021-02-26","10:15:23",""
"1560683","8.2315","0.0005","8.5673","0.0005","22.5625","0.0012","90","","90","","90","","1591.15","0.16","293","2","293","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- As4 Cl2 Mn7 O16 -","- As4 Cl2 Mn7 O16 -","- As16 Cl8 Mn28 O64 -","4","0.5","","Weil, Matthias; Kremer, Reinhard K.","Crystal growth and crystal structures of six novel phases in the Mn/As/O/Cl(Br) system, as well as magnetic properties of α -Mn 3 (AsO 4 ) 2","Journal of Solid State Chemistry","2017","245","","115","126","10.1016/j.jssc.2016.09.027","","","0.71073","MoKα","","0.0166","0.0156","","","0.0371","0.0375","","","","","","1.062","","","","has coordinates","262260","2021-02-26","10:15:23",""
"1560684","8.5552","0.0007","32.5091","0.0012","9.041","0.0007","90","","90","","90","","2514.5","0.3","293","2","293","2","","","","","","","","4","P n m a","-P 2ac 2n","62","","","","- As7 Cl Mn11 O28 -","- As7 Cl Mn11 O28 -","- As28 Cl4 Mn44 O112 -","4","0.5","","Weil, Matthias; Kremer, Reinhard K.","Crystal growth and crystal structures of six novel phases in the Mn/As/O/Cl(Br) system, as well as magnetic properties of α -Mn 3 (AsO 4 ) 2","Journal of Solid State Chemistry","2017","245","","115","126","10.1016/j.jssc.2016.09.027","","","0.71073","MoKα","","0.0239","0.0216","","","0.0506","0.0517","","","","","","1.065","","","","has coordinates","262260","2021-02-26","10:15:23",""
"1560685","8.5719","0.0006","32.558","0.002","9.0345","0.0007","90","","90","","90","","2521.4","0.3","293","2","293","2","","","","","","","","4","P n m a","-P 2ac 2n","62","","","","- As7 Br Mn11 O28 -","- As7 Br Mn11 O28 -","- As28 Br4 Mn44 O112 -","4","0.5","","Weil, Matthias; Kremer, Reinhard K.","Crystal growth and crystal structures of six novel phases in the Mn/As/O/Cl(Br) system, as well as magnetic properties of α -Mn 3 (AsO 4 ) 2","Journal of Solid State Chemistry","2017","245","","115","126","10.1016/j.jssc.2016.09.027","","","0.71073","MoKα","","0.0434","0.0312","","","0.0586","0.0632","","","","","","1.044","","","","has coordinates","262260","2021-02-26","10:15:23",""
"1560686","9.8823","0.0012","9.8823","0.0012","6.2222","0.0016","90","","90","","120","","526.25","0.16","296","2","296","2","","","","","","","","4","P 63/m","-P 6c","176","","","","- As3 Cl Mn5 O12 -","- As3 Cl Mn5 O12 -","- As6 Cl2 Mn10 O24 -","2","0.166667","","Weil, Matthias; Kremer, Reinhard K.","Crystal growth and crystal structures of six novel phases in the Mn/As/O/Cl(Br) system, as well as magnetic properties of α -Mn 3 (AsO 4 ) 2","Journal of Solid State Chemistry","2017","245","","115","126","10.1016/j.jssc.2016.09.027","","","0.71073","MoKα","","0.0176","0.0165","","","0.0396","0.04","","","","","","1.14","","","","has coordinates","262260","2021-02-26","10:15:23",""
"1560687","9.2998","0.0019","9.6832","0.0019","11.217","0.002","72.55","0.03","81.06","0.03","64.68","0.03","870.6","0.4","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C15 H7 N0 O9 Tb -","- C15 H7 O9 Tb -","- C30 H14 O18 Tb2 -","2","1","","Wang, Shengyan; Shan, Liang; Fan, Yong; Jia, Jia; Xu, Jianing; Wang, Li","Fabrication of Ln-MOFs with color-tunable photoluminescence and sensing for small molecules","Journal of Solid State Chemistry","2017","245","","132","137","10.1016/j.jssc.2016.10.006","","","0.71073","MoKα","","0.0198","0.0183","","","0.0487","0.0495","","","","","","1.066","","","","has coordinates","262261","2021-02-26","10:24:51",""
"1560688","9.2809","0.0019","9.6946","0.0019","11.191","0.002","71.49","0.03","80.36","0.03","64.27","0.03","859.6","0.4","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C15 H7 Eu N0 O9 -","- C15 H7 Eu O9 -","- C30 H14 Eu2 O18 -","2","1","","Wang, Shengyan; Shan, Liang; Fan, Yong; Jia, Jia; Xu, Jianing; Wang, Li","Fabrication of Ln-MOFs with color-tunable photoluminescence and sensing for small molecules","Journal of Solid State Chemistry","2017","245","","132","137","10.1016/j.jssc.2016.10.006","","","0.71073","MoKα","","0.0363","0.0316","","","0.0879","0.0895","","","","","","1.104","","","","has coordinates","262261","2021-02-26","10:24:52",""
"1560689","9.3092","0.0019","9.7315","0.0019","11.258","0.002","72.32","0.03","80.83","0.03","64.48","0.03","876.4","0.4","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C15 H7 Gd N0 O9 -","- C15 H7 Gd O9 -","- C30 H14 Gd2 O18 -","2","1","","Wang, Shengyan; Shan, Liang; Fan, Yong; Jia, Jia; Xu, Jianing; Wang, Li","Fabrication of Ln-MOFs with color-tunable photoluminescence and sensing for small molecules","Journal of Solid State Chemistry","2017","245","","132","137","10.1016/j.jssc.2016.10.006","","","0.71073","MoKα","","0.0248","0.0229","","","0.0713","0.0721","","","","","","1.181","","","","has coordinates","262261","2021-02-26","10:24:52",""
"1560690","8.709","0.0009","10.5806","0.0006","12.8577","0.0011","90","","109.543","0.007","90","","1116.54","0.17","150","2","150","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C8 H6 Cu N2 O5 S2 -","- C8 H6 Cu N2 O5 S2 -","- C32 H24 Cu4 N8 O20 S8 -","4","1","","Meundaeng, Natthaya; Rujiwatra, Apinpus; Prior, Timothy J.","Copper coordination polymers constructed from thiazole-5-carboxylic acid: Synthesis, crystal structures, and structural transformation","Journal of Solid State Chemistry","2017","245","","138","145","10.1016/j.jssc.2016.10.009","","","0.71073","MoKα","","0.0442","0.0298","","","0.0724","0.0745","","","","","","0.974","","","","has coordinates","262262","2021-02-26","10:39:18",""
"1560691","8.7377","0.0007","10.5776","0.0012","12.8766","0.001","90","","109.733","0.006","90","","1120.22","0.18","150","2","150","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C8 H6 Cu N2 O5 S2 -","- C8 H6 Cu N2 O5 S2 -","- C32 H24 Cu4 N8 O20 S8 -","4","1","","Meundaeng, Natthaya; Rujiwatra, Apinpus; Prior, Timothy J.","Copper coordination polymers constructed from thiazole-5-carboxylic acid: Synthesis, crystal structures, and structural transformation","Journal of Solid State Chemistry","2017","245","","138","145","10.1016/j.jssc.2016.10.009","","","0.71073","MoKα","","0.0296","0.0211","","","0.0487","0.0498","","","","","","0.937","","","","has coordinates","262262","2021-02-26","10:39:18",""
"1560692","7.4646","0.0009","11.4558","0.0011","8.6518","0.001","90","","100.227","0.009","90","","728.09","0.14","150","2","150","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C10 H12 Cu N2 O6 S2 -","- C10 H12 Cu N2 O6 S2 -","- C20 H24 Cu2 N4 O12 S4 -","2","0.5","","Meundaeng, Natthaya; Rujiwatra, Apinpus; Prior, Timothy J.","Copper coordination polymers constructed from thiazole-5-carboxylic acid: Synthesis, crystal structures, and structural transformation","Journal of Solid State Chemistry","2017","245","","138","145","10.1016/j.jssc.2016.10.009","","","0.71073","MoKα","","0.06","0.0303","","","0.0568","0.0611","","","","","","0.803","","","","has coordinates","262262","2021-02-26","10:39:18",""
"1560693","12.171","0.0011","23.252","0.0019","12.7039","0.0011","90","","116.025","0.006","90","","3230.7","0.5","150","2","150","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C32 H20 Cu2 N8 O10 S2 -","- C32 H20 Cu2 N8 O10 S2 -","- C128 H80 Cu8 N32 O40 S8 -","4","0.5","","Meundaeng, Natthaya; Rujiwatra, Apinpus; Prior, Timothy J.","Copper coordination polymers constructed from thiazole-5-carboxylic acid: Synthesis, crystal structures, and structural transformation","Journal of Solid State Chemistry","2017","245","","138","145","10.1016/j.jssc.2016.10.009","","","0.71073","MoKα","","0.0549","0.028","","","0.0517","0.0552","","","","","","0.797","","","","has coordinates","262262","2021-02-26","10:39:19",""
"1560694","6.78","0.002","12.082","0.005","6.403","0.003","90","","90","","90","","524.5","0.4","150","2","150","2","","","","","","","","5","P b c m","-P 2c 2b","57","","","","- C4 H3 N O2 S -","- C4 H3 N O2 S -","- C16 H12 N4 O8 S4 -","4","0.5","","Meundaeng, Natthaya; Rujiwatra, Apinpus; Prior, Timothy J.","Copper coordination polymers constructed from thiazole-5-carboxylic acid: Synthesis, crystal structures, and structural transformation","Journal of Solid State Chemistry","2017","245","","138","145","10.1016/j.jssc.2016.10.009","","","0.71073","MoKα","","0.068","0.0545","","","0.1371","0.1452","","","","","","0.956","","","","has coordinates","262262","2021-02-26","10:39:19",""
"1560695","9.0846","0.0001","10.3808","0.0001","12.9109","0.0002","100.666","0.001","104.31","0.001","102.978","0.001","1111.71","0.03","293","2","296.15","","","","","","","","","5","P -1","-P 1","2","","","","- C19 H21 Cd N5 O6 -","- C19 H21 Cd N5 O6 -","- C38 H42 Cd2 N10 O12 -","2","1","","Arıcı, Mürsel; Yeşilel, Okan Zafer; Taş, Murat","Cd(II)-coordination polymers based on tetracarboxylic acid and diverse bis(imidazole) ligands: Synthesis, structural diversity and photoluminescence properties","Journal of Solid State Chemistry","2017","245","","146","151","10.1016/j.jssc.2016.10.015","","","0.71073","MoKα","","0.0994","0.0743","","","0.1851","0.2024","","","","","","1.009","","","","has coordinates","262263","2021-02-26","10:44:45",""
"1560696","8.6773","0.0006","10.3497","0.0006","14.1097","0.0009","108.56","0.003","99.97","0.004","103.218","0.004","1127.15","0.13","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C47 H41 Cd2 N11 O11 -","- C47 H41 Cd2 N11 O11 -","- C47 H41 Cd2 N11 O11 -","1","0.5","","Arıcı, Mürsel; Yeşilel, Okan Zafer; Taş, Murat","Cd(II)-coordination polymers based on tetracarboxylic acid and diverse bis(imidazole) ligands: Synthesis, structural diversity and photoluminescence properties","Journal of Solid State Chemistry","2017","245","","146","151","10.1016/j.jssc.2016.10.015","","","0.71073","MoKα","","0.1124","0.0852","","","0.235","0.2526","","","","","","1.07","","","","has coordinates,has disorder","262264","2021-02-26","10:46:24",""
"1560697","10.342","0.004","15.079","0.004","25.117","0.006","90","0.3","90","0.4","90","0.2","3917","2","293","2","293","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C37 H37 Cd2 N7 O10 -","- C37 H37 Cd2 N7 O10 -","- C148 H148 Cd8 N28 O40 -","4","1","","Arıcı, Mürsel; Yeşilel, Okan Zafer; Taş, Murat","Cd(II)-coordination polymers based on tetracarboxylic acid and diverse bis(imidazole) ligands: Synthesis, structural diversity and photoluminescence properties","Journal of Solid State Chemistry","2017","245","","146","151","10.1016/j.jssc.2016.10.015","","","0.71069","MoKα","","0.0771","0.0722","","","0.1829","0.1876","","","","","","1.017","","","","has coordinates","262265","2021-02-26","10:48:09",""
"1560698","7.007","0.0014","13.88","0.003","14.702","0.003","86.48","0.03","88.99","0.03","83.46","0.03","1417.8","0.5","290","2","290","2","","","","","","","","4","P -1","-P 1","2","","","","- Al4 B14 Ba6 O33 -","- Al4 B14 Ba6 O33 -","- Al8 B28 Ba12 O66 -","2","1","","Chen, Xuean; Yue, Jianying; Chang, Xinan; Xiao, Weiqiang","Synthesis and characterization of a new borate Ba 6 Al 4 B 14 O 33 with building blocks of AlO 4 , Al 4 O 14 , BO 3 , B 6 O 14 , and B 6 O 13","Journal of Solid State Chemistry","2017","245","","174","183","10.1016/j.jssc.2016.10.014","","","0.71073","MoKα","","0.0581","0.0413","","","0.107","0.1108","","","","","","1.09","","","","has coordinates","262266","2021-02-26","10:55:11",""
"1560699","19.6025","0.001","23.5274","0.0012","25.9223","0.0013","90","","90","","90","","11955.3","1.1","150","2","150","2","","","","","","","","5","I b c a","-I 2b 2c","73","","","","- C29 H19 N3 Ni O6 -","- C29 H19 N3 Ni O6 -","- C464 H304 N48 Ni16 O96 -","16","1","","Wu, Yu; Lu, Lu; Feng, Jianshen; Li, Yulong; Sun, Yanchun; Ma, Aiqing","Design and construction of diverse structures of coordination polymers: Photocatalytic properties","Journal of Solid State Chemistry","2017","245","","213","218","10.1016/j.jssc.2016.10.021","","","0.71073","MoKα","","0.0473","0.035","","","0.1076","0.1132","","","","","","1.053","","","","has coordinates","262268","2021-02-26","11:10:34",""
"1560700","16.201","0.003","49.374","0.008","10.0575","0.0016","90","","110.045","0.003","90","","7558","2","150","2","150","2","","","","","","","","5","C 1 2/m 1","-C 2y","12","","","","- C34 H21 Co N4 O5 -","- C34 H21 Co N4 O5 -","- C272 H168 Co8 N32 O40 -","8","1","","Wu, Yu; Lu, Lu; Feng, Jianshen; Li, Yulong; Sun, Yanchun; Ma, Aiqing","Design and construction of diverse structures of coordination polymers: Photocatalytic properties","Journal of Solid State Chemistry","2017","245","","213","218","10.1016/j.jssc.2016.10.021","","","0.71073","MoKα","","0.1298","0.0785","","","0.1813","0.193","","","","","","1.06","","","","has coordinates,has disorder","262268","2021-02-26","11:10:46",""
"1560701","9.15","0.005","10.646","0.006","18.489","0.01","96.738","0.006","103.275","0.006","103.868","0.006","1673.3","1.6","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","","","- C39 H27 Co N5 O6 -","- C39 H27 Co N5 O6 -","- C78 H54 Co2 N10 O12 -","2","1","","Wu, Yu; Lu, Lu; Feng, Jianshen; Li, Yulong; Sun, Yanchun; Ma, Aiqing","Design and construction of diverse structures of coordination polymers: Photocatalytic properties","Journal of Solid State Chemistry","2017","245","","213","218","10.1016/j.jssc.2016.10.021","","","0.71073","MoKα","","0.0494","0.0401","","","0.1113","0.1179","","","","","","1.031","","","","has coordinates","262268","2021-02-26","11:10:46",""
"1560702","9.346","0.007","10.627","0.008","13.27","0.01","108.791","0.009","93.295","0.009","105.981","0.009","1183.9","1.5","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","","","- C58 H36 Cu N6 O10 -","- C58 H36 Cu N6 O10 -","- C58 H36 Cu N6 O10 -","1","0.5","","Wu, Yu; Lu, Lu; Feng, Jianshen; Li, Yulong; Sun, Yanchun; Ma, Aiqing","Design and construction of diverse structures of coordination polymers: Photocatalytic properties","Journal of Solid State Chemistry","2017","245","","213","218","10.1016/j.jssc.2016.10.021","","","0.71073","MoKα","","0.0502","0.0387","","","0.1044","0.1116","","","","","","1.001","","","","has coordinates","262268","2021-02-26","11:10:47",""
"1564821","12.0051","0.0002","10.4423","0.0001","19.9229","0.0002","90","","95.254","0.001","90","","2487.06","0.05","293","2","293","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C6 H58 Ca N2 Na8 O44 P6 -","- C6 H58 Ca N2 Na8 O44.002 P6 -","- C12 H116 Ca2 N4 Na16 O88.004 P12 -","2","0.5","","Somov, N.V.; Chausov, F.F.; Zakirova, R.M.","Synthesis and Structure of Decaaqua-Hexasodium-Calcium Bis-nitrilotris(methylenephosphonate) Bis(hexaaquasodium) Tetrahydrate [CaNa6{NH(CH2PO3)3}2(H2O)10][Na(H2O)6]2 4H2O","Crystallography Reports","2017","62","3","397","404","10.1134/S1063774517030208","","x-ray","0.71073","MoKα","","0.0421","0.0398","","","0.1114","0.1133","","","","","","1.076","","","","has coordinates","269564","2021-10-05","10:00:38",""
"1564822","13.9117","0.001","11.5403","0.0001","24.1784","0.0017","90","","148.785","0.018","90","","2011.7","0.6","296","2","296","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C3 H23 Ba2 N Na O17 P3 -","- C3 H23 Ba2 N Na O17 P3 -","- C12 H92 Ba8 N4 Na4 O68 P12 -","4","1","","Somov, N.V.; Chausov, F.F.; Zakirova, R.M.","Synthesis and Structure of Heptaaqua{nitrilotris(methylenephosphonato)}(dibarium)sodium Monohydrate [Na(H2O)3{6-NH(CH2PO3)3}(-H2O)3Ba2(H2O)] H2O","Crystallography Reports","2017","62","2","232","237","10.1134/S1063774517020262","","x-ray","0.71073","MoKα","","0.0366","0.0279","","","0.0578","0.0605","","","","","","1.068","","","","has coordinates","269565","2021-10-05","10:00:48",""
"1564824","10.3861","0.0002","10.8047","0.0001","21.2707","0.0004","90","","128.413","0.003","90","","1870.32","0.08","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C16 H36 Gd2 N14 O26 -","- C16 H36 Gd2 N14 O26 -","- C32 H72 Gd4 N28 O52 -","2","0.5","","Netreba, E.E.; Somov, N.V.","Crystal structure of a new binuclear complex of bis(2,4,6,8-tetramethyl-2,4,6,8-tetraazabicyclo(3.3.0)octane -3,7-dione-O, O)-diaqua-hexakis(nitrato-O,O)-digadolinium(III) monohydrate","Journal of Structural Chemistry","2017","58","4","838","842","10.1134/S0022476617040321","","x-ray","0.71073","MoKα","","0.0207","0.019","","","0.0421","0.0426","","","","","","1.27","","","","has coordinates","269569","2021-10-05","10:02:04",""
"1564825","8.038","0.0003","9.0522","0.0004","10.7837","0.0004","113.252","0.004","105.391","0.003","96.182","0.003","674.77","0.05","293","2","293","2","","","","","","","","6","P -1","-P 1","2","","","","- C3 H12 N O10 P3 Rb2 -","- C3 H12 N O10 P3 Rb2 -","- C6 H24 N2 O20 P6 Rb4 -","2","1","","Somov, N.V.; Chausov, F.F.; Zakirova, R.M.; Shumilova, M.A.; Aleksandrov, V.A.; Petrov, V.G.","Aquanitrilotris(methylenephosphonato)dirubidium [Rb2(H2O){12-NH(CH2PO3H)3}]: Synthesis and Structure","Crystallography Reports","2017","62","5","734","738","10.1134/S1063774517050212","","x-ray","0.71073","MoKα","","0.0317","0.0259","","","0.0627","0.0653","","","","","","1.048","","","","has coordinates","269571","2021-10-05","10:02:25",""
"1564826","10.8942","0.0003","13.1882","0.0004","14.0016","0.0004","65.885","0.003","82.401","0.002","83.143","0.002","1815.23","0.1","293","2","293","2","","","","","","","","7","P -1","-P 1","2","","","","- C6 H40 N2 Na4 O30 P6 Pb2 -","- C6 H40 N2 Na4 O30 P6 Pb2 -","- C12 H80 N4 Na8 O60 P12 Pb4 -","2","1","","Somov, N.V.; Chausov, F.F.; Zakirova, R.M.; Reshetnikov, S.M.; Shishkin, A.S.; Shumilova, M.A.; Aleksandrov, V.A.; Petrov, V.G.","Chelate Complexes of Lead(II) with Nitrilotris(methylenephosphonic) Acid [Pb{5-NH(CH2PO3H)3}] and Na4[Pb2(H2O)2{3-N(CH2PO3)3H2}2] 10H2O: Synthesis, Structure, and Asymmetry of Lone 6s Pair","Crystallography Reports","2017","62","6","857","867","10.1134/S1063774517050224","","x-ray","0.71073","MoKα","","0.0304","0.0244","","","0.0512","0.0535","","","","","","1.091","","","","has coordinates,has disorder","269572","2021-10-05","10:02:34",""
"1564827","9.7385","0.0002","10.2542","0.0002","21.6517","0.0003","90","","93.706","0.001","90","","2157.63","0.07","293","2","293","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C3 H25 Mo N3 Na3 O19 P3 -","- C3 H25 Mo N3 Na3 O19 P3 -","- C12 H100 Mo4 N12 Na12 O76 P12 -","4","1","","Somov, N.V.; Chausov, F.F.; Zakirova, R.M.; Fedotova, I.V.; Lomova, N.V.; Shabanova, I.N.; Petrov, V.G.; Shumilova, M.A.; Zhirov, D.K.","The Trisodium Monohydrogen-Nitrilo-Tris-Methylenephosphonato-Hydroxylaminato-Nitrosyl-Molybdate Octahydrate Na3[Mo(NO)(NH2O){N(CH2PO3)3H}] 8H2O: Synthesis, Structure, and Nature of Coordination Bond of Transition Metal with Non-Innocent Ligand","Russian Journal of Coordination Chemistry","2017","43","12","864","873","10.1134/S1070328417120090","","x-ray","0.71073","MoKα","","0.0294","0.0253","","","0.0575","0.059","","","","","","1.114","","","","has coordinates","269579","2021-10-05","10:04:31",""
"1566175","9.193","0.002","7.6493","0.0017","11.637","0.003","90","","108.145","0.005","90","","777.6","0.3","93","","93","","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C17 H17 N O4 S -","- C17 H17 N O4 S -","- C34 H34 N2 O8 S2 -","2","1","","Kerr, Ryan W.F.; Greenhalgh, Mark D.; Slawin, Alexandra M.Z.; Arnold, Polly L.; Smith, Andrew D.","Enantioselective N-heterocyclic carbene catalyzed formal [3+2] cycloaddition using α-aroyloxyaldehydes and oxaziridines","Tetrahedron: Asymmetry","2017","28","1","125","134","10.1016/j.tetasy.2016.10.012","","","0.71075","MoKα","","0.0485","0.0465","","","0.1242","0.1267","","","","","","1.03","","","","has coordinates","272273","2022-01-27","09:29:42",""
"1566253","9.0296","0.0008","10.9557","0.0008","15.8249","0.0015","89.585","0.007","85.349","0.008","84.251","0.007","1552.5","0.2","295","2","295","","","","","","","","","7","P -1","-P 1","2","","","","- Al As0.617 H24 O37.5 P2.383 Pb U5 -","- Al As0.62 O37.5 P2.38 Pb U5 -","- Al2 As1.24 O75 P4.76 Pb2 U10 -","2","1","","Plášil, Jakub","A novel sheet topology in the structure of kamitugaite, PbAl [(UO2)5 (PO4)2.38 (AsO4)0.62 O2 (OH)2] (H2O)11.5","Journal of Geosciences","2017","62","","253","260","10.3190/jgeosci.246","","x-ray","0.71073","MoKα","","0.1511","0.1074","","","0.2538","0.2751","","","","1.81","1.81","1.48","","","","has coordinates","274766","2022-04-29","12:14:36",""
"1566254","10.1729","0.0003","13.5088","0.0004","4.7496","0.0001","90","","105.399","0.002","90","","629.28","0.03","297","1","297","","","","","","","","","6","C 1 2/m 1","-C 2y","12","","","","- As2 Co0 Cu2.92 H16 O16 Zn0 -","- As2 Cu2.921 H16 O16 -","- As4 Cu5.842 H32 O32 -","2","0.25","","Jakub Plasil; Pavel Skacha; Jiri Sejkora; Radek Skoda; Milan Novak; Frantisek Veselovsky; Jan Hlousek","Babanekite, Cu3(AsO4)2 . 8H2O, from Jachymov, Czech Republic - a new member of the vivianite group","Journal of GeoSciences","2017","62","","261","270","10.3190/jgeosci.248","","x-ray","0.7107","MoKα","","0.0277","0.0218","","","0.0508","0.0527","","","","1.47","1.47","1.4","","","","has coordinates","272417","2022-02-02","09:38:42",""
"1566255","17.0069","0.0005","18.0273","0.0005","18.3374","0.0005","90","","90","","90","","5622","0.3","300","1","300","","","","","","","","","7","P n n m","-P 2 2n","58","","","","- C6 H0 Ca3 K1.952 Na0 O29.167 U2 -","- C6 Ca3 K1.954 O29.17 U2 -","- C48 Ca24 K15.632 O233.36 U16 -","8","1","","Jakub Plasil; Jiri Cejka; Jiri Sejkora; Jan Hlousek; Radek Skoda; Milan Novak; Michal Dusek; Ivana Cisarova; Ivan Nemec; Jana Ederova","Linekite, K2Ca3[(UO2)(CO3)3]2 . 8H2O, a new uranyl carbonate mineral from Jachymov, Czech Republic","Journal of GeoSciences","2017","62","","201","213","10.3190/jgeosci.241","","x-ray","0.7107","MoKα","","0.0545","0.034","","","0.0783","0.084","","","","1.82","1.82","1.64","","","","has coordinates","272418","2022-02-02","09:46:32",""
"1566256","9.428","0.0003","20.8445","0.0005","13.4207","0.0004","90","","107.962","0.003","90","","2508.92","0.13","293","2","293","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- Al2 H20 O27 P2 U3 -","- Al2 O27.5 P2 U3 -","- Al8 O110 P8 U12 -","4","1","","Fabrice Dal Bo; Frederic Hatert; Simon Philippo","New crystallographic data and formula revision of phuralumite, Al2[(UO2)3(PO4)2O(OH)](OH)3(H2O)9","Journal of GeoSciences","2017","62","","87","95","10.3190/jgeosci.233","","x-ray","0.71073","MoKα","","0.0835","0.0571","","","0.1311","0.1491","","","","","","1.07","","","","has coordinates","272419","2022-02-02","10:01:59",""
"1566257","9.4417","0.0003","20.8596","0.0008","13.4326","0.0006","90","","107.905","0.004","90","","2517.42","0.18","293","2","293","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- Al2 H20 O27 P2 U3 -","- Al2 O27.5 P2 U3 -","- Al8 O110 P8 U12 -","4","1","","Fabrice Dal Bo; Frederic Hatert; Simon Philippo","New crystallographic data and formula revision of phuralumite, Al2[(UO2)3(PO4)2O(OH)](OH)3(H2O)9","Journal of GeoSciences","2017","62","","87","95","10.3190/jgeosci.233","","x-ray","0.71073","MoKα","","0.1042","0.0551","","","0.1065","0.1411","","","","","","1.05","","","","has coordinates","272420","2022-02-02","10:02:12",""
"1566258","9.4423","0.0005","20.8723","0.0009","13.4307","0.0006","90","","107.862","0.005","90","","2519.4","0.2","293","2","293","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- Al2 H20 O27 P2 U3 -","- Al2 O27.5 P2 U3 -","- Al8 O110 P8 U12 -","4","1","","Fabrice Dal Bo; Frederic Hatert; Simon Philippo","New crystallographic data and formula revision of phuralumite, Al2[(UO2)3(PO4)2O(OH)](OH)3(H2O)9","Journal of GeoSciences","2017","62","","87","95","10.3190/jgeosci.233","","x-ray","0.71073","MoKα","","0.1152","0.0665","","","0.1414","0.1674","","","","","","1.042","","","","has coordinates","272421","2022-02-02","10:02:25",""
"1566259","9.4467","0.0002","20.9023","0.0006","13.4396","0.0003","90","","107.944","0.003","90","","2524.67","0.11","293","2","293","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- Al2 H20 O27 P2 U3 -","- Al2 O28 P2 U3 -","- Al8 O112 P8 U12 -","4","1","","Fabrice Dal Bo; Frederic Hatert; Simon Philippo","New crystallographic data and formula revision of phuralumite, Al2[(UO2)3(PO4)2O(OH)](OH)3(H2O)9","Journal of GeoSciences","2017","62","","87","95","10.3190/jgeosci.233","","x-ray","0.71073","MoKα","","0.0522","0.0353","","","0.0768","0.0835","","","","","","1.025","","","","has coordinates","272422","2022-02-02","10:02:38",""
"1566260","15.5362","0.0002","15.5362","0.0002","11.796","0.0003","90","","90","","90","","2847.24","0.09","293","2","293","2","","","","","","","","5","P 4/n :2","-P 4a","85","","","","- Al12 Ca19 Mg O78 Si17.83 -","- Al12 Ca19 Mg O78 Si17.833 -","- Al24 Ca38 Mg2 O156 Si35.666 -","2","0.25","","Taras L. Panikorovskii; Vladimir V. Shilovskikh; Evgenia Yu. Avdontseva; Andrey A. Zolotarev; Vladimir Yu. Karpenko; Anton S. Mazur; Victor N. Yakovenchuk; Ayya V. Bazai; Sergey V. Krivovichev; Igor V. Pekov","Magnesiovesuvianite, Ca19Mg(Al,Mg)12Si18O69(OH)9, a new vesuvianite-group mineral","Journal of GeoSciences","2017","62","","25","36","10.3190/jgeosci.229","","","0.71073","MoKα","","0.0292","0.027","","","0.0702","0.0712","","","","","","1.24","","","","has coordinates","272423","2022-02-02","10:07:55",""
"1570299","9.38279","0.000086","11.8196","0.00009","16.03958","0.00015","90","","90","","90","","1778.8","0.03","294","","294","2","","","1000","","","","","5","P 21 21 21","P 2ac 2ab","19","Bistetramethylammonium hydrogencyclo-triphosphate","Bistetramethylammonium hydrogencyclo-triphosphate","","- C8 H25 N2 O9 P3 -","- C8 H25 N2 O9 P3 -","- C32 H100 N8 O36 P12 -","4","1","","Mangstl, Martin; Celinski, Vinicius R.; Pritzel, Christian; Trettin, Reinhard; Schmedt auf der Günne, Jörn","Irreversible Phase Transition of Bistetramethylammonium Hydrogencyclotriphosphate","Zeitschrift für anorganische und allgemeine Chemie","2017","643","21","1609","1614","10.1002/zaac.201700246","powder diffraction","x-ray","1.5406","CuKα~1~","","","","","","","","0.01471","","1.61","","","","","","","has coordinates","287579","2023-11-14","07:28:05",""
"2020683","9.6931","0.0019","15.699","0.003","14.614","0.003","90","","108.99","0.03","90","","2102.8","0.8","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","<i>N</i>-(7-Dibromomethyl-5-methyl-1,8-naphthyridin-2-yl)benzamide‒pyrrolidine-2,5-dione (1/1)","","- C21 H18 Br2 N4 O3 -","- C21 H18 Br2 N4 O3 -","- C84 H72 Br8 N16 O12 -","4","1","WM5334","Wang, Bang Zhong; Zhou, Jun Ping; Zhou, Yong; Luo, Jian Song; Yang, Jun Jie; Chi, Shao M.ing","Crystal structure of <i>N</i>-(7-dibromomethyl-5-methyl-1,8-naphthyridin-2-yl)benzamide‒pyrrolidine-2,5-dione (1/1)","Acta Crystallographica Section E","2017","73","1","1","3","10.1107/S2056989016019034","","","0.71073","MoKα","","0.1538","0.0616","","","0.1193","0.1477","","","","","","0.978","","","","has coordinates,has Fobs","191425","2020-10-21","18:00:00",""
"2020684","8.7561","0.0005","9.0016","0.0005","12.8869","0.0007","90","","90","","90","","1015.73","0.1","100","2","100","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","N-benzyl-2-iodoimidazole","1-Benzyl-2-iodo-1<i>H</i>-imidazole","","- C10 H9 I N2 -","- C10 H9 I N2 -","- C40 H36 I4 N8 -","4","1","KU3188","Nwachukwu, Chideraa I.; Bowling, Nathan P.; Bosch, Eric","C—I···N and C—I···π halogen bonding in the structures of 1-benzyliodoimidazole derivatives","Acta Crystallographica Section C","2017","73","1","2","8","10.1107/S2053229616018702","","","0.71073","MoKα","","0.0132","0.0129","","","0.0299","0.03","","","","","","1.051","","","","has coordinates,has Fobs","191419","2020-10-21","18:00:00",""
"2020685","8.4574","0.0005","6.1526","0.0003","19.4261","0.001","90","","96.362","0.001","90","","1004.61","0.09","100","2","100","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","N-Benzyl-4-iodobenzimidazole","1-Benzyl-4-iodo-1<i>H</i>-benzimidazole","","- C10 H9 I N2 -","- C10 H9 I N2 -","- C40 H36 I4 N8 -","4","1","","Nwachukwu, Chideraa I.; Bowling, Nathan P.; Bosch, Eric","C—I···N and C—I···π halogen bonding in the structures of 1-benzyliodoimidazole derivatives","Acta Crystallographica Section C","2017","73","1","2","8","10.1107/S2053229616018702","","","0.71073","MoKα","","0.0172","0.0161","","","0.0363","0.0367","","","","","","1.106","","","","has coordinates,has Fobs","191419","2020-10-21","18:00:00",""
"2020686","6.4606","0.0008","8.2346","0.001","12.3451","0.0014","108.064","0.001","94.174","0.002","95.366","0.002","618.05","0.13","100","2","100","2","","","","","","","","4","P -1","-P 1","2","N-Benzyl-2-iodobenzimidazole","1-Benzyl-2-iodo-1<i>H</i>-benzimidazole","","- C14 H11 I N2 -","- C14 H11 I N2 -","- C28 H22 I2 N4 -","2","1","","Nwachukwu, Chideraa I.; Bowling, Nathan P.; Bosch, Eric","C—I···N and C—I···π halogen bonding in the structures of 1-benzyliodoimidazole derivatives","Acta Crystallographica Section C","2017","73","1","2","8","10.1107/S2053229616018702","","","0.71073","MoKα","","0.0159","0.0154","","","0.0386","0.0389","","","","","","1.09","","","","has coordinates,has Fobs","191419","2020-10-21","18:00:00",""
"2020687","30.5388","0.0009","8.0984","0.0002","15.081","0.0004","90","","90","","90","","3729.76","0.17","293","2","293","2","","","","","","","","5","P n a 21","P 2c -2n","33","Sulfamethazine pyridine monosolvate","4-Amino-<i>N</i>-(4,6-dimethylpyrimidin-2-yl)benzenesulfonamide pyridine monosolvate","","- C17 H19 N5 O2 S -","- C17 H19 N5 O2 S -","- C136 H152 N40 O16 S8 -","8","2","WQ3116","Patel, Urmila H.; Purohit, Ketankumar P.","Pyridine and 3-methylpyridine solvates of the triple sulfa drug constitutent sulfamethazine","Acta Crystallographica Section C","2017","73","1","9","12","10.1107/S2053229616015898","","","0.71073","MoKα","","0.0854","0.0472","","","0.091","0.1045","","","","","","1","","","","has coordinates,has Fobs","191424","2020-10-21","18:00:00",""
"2020688","9.692","0.0002","25.1673","0.0006","7.9853","0.0002","90","","90","","90","","1947.79","0.08","296","2","296","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","Sulfamethazine pyridine monosolvate","4-Amino-<i>N</i>-(4,6-dimethylpyrimidin-2-yl)benzenesulfonamide pyridine monosolvate","","- C18 H21 N5 O2 S -","- C18 H21 N5 O2 S -","- C72 H84 N20 O8 S4 -","4","1","","Patel, Urmila H.; Purohit, Ketankumar P.","Pyridine and 3-methylpyridine solvates of the triple sulfa drug constitutent sulfamethazine","Acta Crystallographica Section C","2017","73","1","9","12","10.1107/S2053229616015898","","","0.71073","MoKα","","0.0406","0.0366","","","0.0987","0.1021","","","","","","1.03","","","","has coordinates,has Fobs","191424","2020-10-21","18:00:00",""
"2020689","8.843","0.003","17.485","0.005","5.041","0.003","90","","90","","90","","779.4","0.6","120","2","120","2","","","","","","","","4","P n a 21","P 2c -2n","33","","5-Methyl-<i>N</i>-(prop-2-en-1-yl)-1,3,4-thiadiazol-2-amine","","- C6 H9 N3 S -","- C6 H9 N3 S -","- C24 H36 N12 S4 -","4","1","","Ardan, Bohdan; Kinzhybalo, Vasyl; Slyvka, Yurii; Shyyka, Olga; Luk`yanov, Mykhaylo; Lis, Tadeusz; Mys`kiv, Marian","Ligand-forced dimerization of copper(I)‒olefin complexes bearing a 1,3,4-thiadiazole core","Acta Crystallographica Section C","2017","73","1","36","46","10.1107/S2053229616018751","","","0.71073","MoKα","","0.0492","0.042","","","0.0994","0.1045","","","","","","1.061","","","","has coordinates,has disorder,has Fobs","191418","2020-10-21","18:00:00",""
"2020690","7.235","0.003","7.548","0.003","10.297","0.004","105.42","0.03","98.15","0.03","112.43","0.03","482","0.4","100","2","100","2","","","","","","","","6","P -1","-P 1","2","","Bis[μ-5-methyl-<i>N</i>-(prop-2-en-1-yl)-1,3,4-thiadiazol-2-amine]bis[nitratocopper(I)]","","- C12 H18 Cu2 N8 O6 S2 -","- C12 H18 Cu2 N8 O6 S2 -","- C12 H18 Cu2 N8 O6 S2 -","1","0.5","","Ardan, Bohdan; Kinzhybalo, Vasyl; Slyvka, Yurii; Shyyka, Olga; Luk`yanov, Mykhaylo; Lis, Tadeusz; Mys`kiv, Marian","Ligand-forced dimerization of copper(I)‒olefin complexes bearing a 1,3,4-thiadiazole core","Acta Crystallographica Section C","2017","73","1","36","46","10.1107/S2053229616018751","","","0.71073","MoKα","","0.0466","0.0343","","","0.0903","0.0956","","","","","","1.056","","","","has coordinates,has Fobs","191418","2020-10-21","18:00:00",""
"2020691","7.754","0.003","7.965","0.003","10.372","0.004","67.57","0.03","89.99","0.03","61.07","0.03","504.6","0.4","100","2","100.15","","","","","","","","","7","P -1","-P 1","2","","Bis[μ-5-methyl-<i>N</i>-(prop-2-en-1-yl)-1,3,4-thiadiazol-2-amine]bis[(tetrafluoroborato)copper(I)]","","- C12 H18 B2 Cu2 F8 N6 S2 -","- C12 H18 B2 Cu2 F8 N6 S2 -","- C12 H18 B2 Cu2 F8 N6 S2 -","1","0.5","","Ardan, Bohdan; Kinzhybalo, Vasyl; Slyvka, Yurii; Shyyka, Olga; Luk`yanov, Mykhaylo; Lis, Tadeusz; Mys`kiv, Marian","Ligand-forced dimerization of copper(I)‒olefin complexes bearing a 1,3,4-thiadiazole core","Acta Crystallographica Section C","2017","73","1","36","46","10.1107/S2053229616018751","","","0.71073","MoKα","","0.0269","0.0223","","","0.0604","0.0614","","","","","","1.065","","","","has coordinates,has Fobs","191418","2020-10-21","18:00:00",""
"2020692","7.379","0.003","18.78","0.005","14.702","0.004","90","","94.82","0.03","90","","2030.2","1.1","100","0.1","100","0.1","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","μ-Aqua-bis{μ-5-[(prop-2-en-1-yl)sulfanyl]-1,3,4-thiadiazol-2-amine}bis[nitratocopper(I)]","","- C10 H16 Cu2 N8 O7 S4 -","- C10 H16 Cu2 N8 O7 S4 -","- C40 H64 Cu8 N32 O28 S16 -","4","1","","Ardan, Bohdan; Kinzhybalo, Vasyl; Slyvka, Yurii; Shyyka, Olga; Luk`yanov, Mykhaylo; Lis, Tadeusz; Mys`kiv, Marian","Ligand-forced dimerization of copper(I)‒olefin complexes bearing a 1,3,4-thiadiazole core","Acta Crystallographica Section C","2017","73","1","36","46","10.1107/S2053229616018751","","","0.71073","MoKα","","0.075","0.0452","","","0.0975","0.1145","","","","","","1.008","","","","has coordinates,has disorder,has Fobs","191418","2020-10-21","18:00:00",""
"2020693","11.899","0.004","11.442","0.004","17.678","0.005","90","","102.04","0.03","90","","2353.9","1.3","260","2","260.15","","","","","","","","","8","P 1 21/n 1","-P 2yn","14","","μ-Aqua-(hexafluorosilicato)bis{μ-5-[(prop-2-en-1-yl)sulfanyl]-1,3,4-thiadiazol-2-amine}dicopper(I) acetonitrile hemisolvate dihydrate","","- C11 H19.5 Cu2 F6 N6.5 O3 S4 Si -","- C11 H19.5 Cu2 F6 N6.5 O3 S4 Si -","- C44 H78 Cu8 F24 N26 O12 S16 Si4 -","4","1","","Ardan, Bohdan; Kinzhybalo, Vasyl; Slyvka, Yurii; Shyyka, Olga; Luk`yanov, Mykhaylo; Lis, Tadeusz; Mys`kiv, Marian","Ligand-forced dimerization of copper(I)‒olefin complexes bearing a 1,3,4-thiadiazole core","Acta Crystallographica Section C","2017","73","1","36","46","10.1107/S2053229616018751","","","0.71073","MoKα","","0.0633","0.0369","","","0.0828","0.0869","","","","","","1.023","","","","has coordinates,has disorder,has Fobs","191418","2020-10-21","18:00:00",""
"2020694","14.944","0.004","16.587","0.005","14.658","0.004","90","","117.91","0.03","90","","3210.7","1.8","110","2","110","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","μ-Benzenesulfonato-bis{μ-5-[(prop-2-en-1-yl)sulfanyl]-1,3,4-thiadiazol-2-amine}dicopper(I) benzenesulfonate methanol monosolvate monohydrate","","- C23 H30 Cu2 N6 O8 S6 -","- C23 H30 Cu2 N6 O8 S6 -","- C92 H120 Cu8 N24 O32 S24 -","4","1","","Ardan, Bohdan; Kinzhybalo, Vasyl; Slyvka, Yurii; Shyyka, Olga; Luk`yanov, Mykhaylo; Lis, Tadeusz; Mys`kiv, Marian","Ligand-forced dimerization of copper(I)‒olefin complexes bearing a 1,3,4-thiadiazole core","Acta Crystallographica Section C","2017","73","1","36","46","10.1107/S2053229616018751","","","1.54184","CuKα","","0.0631","0.0573","","","0.1596","0.1661","","","","","","1.045","","","","has coordinates,has disorder,has Fobs","191418","2020-10-21","18:00:00",""
"2020695","11.4261","0.0005","8.1847","0.0003","16.8243","0.0006","90","","93.067","0.002","90","","1571.14","0.11","100","2","100","2","","","","","","","","5","P 1 21 1","P 2yb","4","","(9<i>RS</i>,15<i>RS</i>)-9-Ethyl-11-methyl-9,13b-dihydrodibenzo[<i>c</i>,<i>f</i>]thiazolo[3,2-<i>a</i>]azepin-3(2<i>H</i>)-one","","- C19 H19 N O S -","- C19 H19 N O S -","- C76 H76 N4 O4 S4 -","4","2","SK3643","Mateus-Ruíz, Jeferson B.; Acosta Quintero, Lina M.; Palma, Alirio; Macías, Mario A.; Cobo, Justo; Glidewell, Christopher","Three tetracyclic dibenzoazepine derivatives exhibiting different molecular conformations, different patterns of intermolecular hydrogen bonding and different modes of supramolecular aggregation","Acta Crystallographica Section C","2017","73","1","28","35","10.1107/S2053229616018143","","","0.71073","MoKα","","0.0299","0.0289","","","0.0781","0.0788","","","","","","1.046","","","","has coordinates,has Fobs","191423","2020-10-21","18:00:00",""
"2020696","18.1021","0.0012","12.4436","0.0008","14.8429","0.0009","90","","97.645","0.003","90","","3313.7","0.4","298","2","298","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","(9<i>RS</i>,15<i>RS</i>)-9-Ethyl-7,12-dimethyl-9,13b-dihydrodibenzo[<i>c</i>,<i>f</i>]thiazolo[3,2-<i>a</i>]azepin-3(2<i>H</i>)-one","","- C20 H21 N O S -","- C20 H21 N O S -","- C160 H168 N8 O8 S8 -","8","1","SK3643","Mateus-Ruíz, Jeferson B.; Acosta Quintero, Lina M.; Palma, Alirio; Macías, Mario A.; Cobo, Justo; Glidewell, Christopher","Three tetracyclic dibenzoazepine derivatives exhibiting different molecular conformations, different patterns of intermolecular hydrogen bonding and different modes of supramolecular aggregation","Acta Crystallographica Section C","2017","73","1","28","35","10.1107/S2053229616018143","","","0.71073","MoKα","","0.0957","0.0601","","","0.1438","0.168","","","","","","1.047","","","","has coordinates,has Fobs","191423","2020-10-21","18:00:00",""
"2020697","6.8533","0.0016","10.612","0.005","13.561","0.003","72.45","0.04","75.84","0.019","82.46","0.02","910","0.6","120","2","120","2","","","","","","","","5","P -1","-P 1","2","","Ethyl 2-chloro-13-ethyl-4-oxo-8,13-dihydro-4<i>H</i>-benzo[5,6]azepino[3,2,1-<i>ij</i>]quinoline-5-carboxylate","","- C22 H20 Cl N O3 -","- C22 H20 Cl N O3 -","- C44 H40 Cl2 N2 O6 -","2","1","SK3643","Mateus-Ruíz, Jeferson B.; Acosta Quintero, Lina M.; Palma, Alirio; Macías, Mario A.; Cobo, Justo; Glidewell, Christopher","Three tetracyclic dibenzoazepine derivatives exhibiting different molecular conformations, different patterns of intermolecular hydrogen bonding and different modes of supramolecular aggregation","Acta Crystallographica Section C","2017","73","1","28","35","10.1107/S2053229616018143","","","0.71073","MoKα","","0.1365","0.0651","","","0.0973","0.1181","","","","","","1.063","","","","has coordinates,has disorder,has Fobs","191423","2020-10-21","18:00:00",""
"2020698","39.3876","0.0019","9.6153","0.0008","29.5299","0.0016","90","","130.719","0.007","90","","8476.3","1.3","295","2","295","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","<i>catena</i>-Poly[[carbonylruthenium(II)]-μ-2,7,12,17-tetrakis[2-(ethoxycarbonyl)ethyl]-3,8,13,18-tetramethylporphyrinato-κ^5^<i>N</i>,<i>N</i>',<i>N</i>'',<i>N</i>''':<i>O</i>]","","- C45 H52 N4 O9 Ru -","- C45 H52 N4 O9 Ru -","- C360 H416 N32 O72 Ru8 -","8","1","FA3396","Andreev, Sergey V.; Zverev, Sergey A.; Zamilatskov, Ilya A.; Kurochkina, Nadezhda M.; Ponomarev, Gelii V.; Fitch, Andrew N.; Chernyshev, Vladimir V.","Polymeric structure of a coproporphyrin I ruthenium(II) complex: a powder diffraction study","Acta Crystallographica Section C","2017","73","1","47","51","10.1107/S2053229616019422","powder diffraction","","0.399927","synchrotron","","","","","","","","","","3.0929","","","","","","","has coordinates,has Fobs","191422","2020-10-21","18:00:00",""
"2020699","6.545","0.0004","9.3526","0.0006","12.782","0.0008","94.047","0.005","93.143","0.005","95.735","0.005","775.05","0.08","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","<i>N</i>-[(3,4-Dimethoxyphenyl)carbamothioyl]benzamide","","- C16 H16 N2 O3 S -","- C16 H16 N2 O3 S -","- C32 H32 N4 O6 S2 -","2","1","CU3106","Okuniewski, Andrzej; Rosiak, Damian; Chojnacki, Jarosław; Becker, Barbara","Crystallographic study of self-organization in the solid state including quasi-aromatic pseudo-ring stacking interactions in 1-benzoyl-3-(3,4-dimethoxyphenyl)thiourea and 1-benzoyl-3-(2-hydroxypropyl)thiourea","Acta Crystallographica Section C","2017","73","1","52","56","10.1107/S2053229616019495","","","0.71073","MoKα","","0.109","0.0709","","","0.1693","0.2094","","","","","","1.039","","","","has coordinates,has Fobs","191420","2020-10-21","18:00:00",""
"2020700","22.415","0.0017","8.1479","0.0005","13.4592","0.0009","90","","102.618","0.007","90","","2398.8","0.3","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","<i>N</i>-[(2-Hydroxypropyl)carbamothioyl]benzamide","","- C11 H14 N2 O2 S -","- C11 H14 N2 O2 S -","- C88 H112 N16 O16 S8 -","8","2","CU3106","Okuniewski, Andrzej; Rosiak, Damian; Chojnacki, Jarosław; Becker, Barbara","Crystallographic study of self-organization in the solid state including quasi-aromatic pseudo-ring stacking interactions in 1-benzoyl-3-(3,4-dimethoxyphenyl)thiourea and 1-benzoyl-3-(2-hydroxypropyl)thiourea","Acta Crystallographica Section C","2017","73","1","52","56","10.1107/S2053229616019495","","","0.71073","MoKα","","0.1103","0.0657","","","0.1783","0.22","","","","","","1.037","","","","has coordinates,has Fobs","191420","2020-10-21","18:00:00",""
"2020701","8.437","0.0002","23.5403","0.0004","10.3281","0.0002","90","","98.1871","0.0007","90","","2030.35","0.07","295","2","295","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","{4-[(Butylamino)(diethoxyphosphoryl)methyl]phenyl}boronic acid monohydrate","","- C15 H29 B N O6 P -","- C15 H29 B N O6 P -","- C60 H116 B4 N4 O24 P4 -","4","1","","Zhang, Rui; Zhang, Yundi; Ge, Chunhua; Miao, Jinpeng; Zhang, Xiangdong","Two closely related {4-[(<i>N</i>-substituted amino)(diethoxyphosphoryl)methyl]phenyl}boronic acids","Acta Crystallographica Section C","2017","73","1","57","60","10.1107/S2053229616019707","","","0.71073","MoKα","","0.0733","0.067","","","0.1646","0.1715","","","","","","1.093","","","","has coordinates,has Fobs","191421","2020-10-21","18:00:00",""
"2020702","10.259","0.0008","14.5721","0.0014","27.577","0.003","90","","90","","90","","4122.6","0.7","173","2","173","2","","","","","","","","6","P b c n","-P 2n 2ab","60","","{4-[(Diethoxyphosphoryl)(4-nitroanilino)methyl]phenyl}boronic acid","","- C17 H22 B N2 O7 P -","- C17 H22 B N2 O7 P -","- C136 H176 B8 N16 O56 P8 -","8","1","","Zhang, Rui; Zhang, Yundi; Ge, Chunhua; Miao, Jinpeng; Zhang, Xiangdong","Two closely related {4-[(<i>N</i>-substituted amino)(diethoxyphosphoryl)methyl]phenyl}boronic acids","Acta Crystallographica Section C","2017","73","1","57","60","10.1107/S2053229616019707","","","0.71073","MoKα","","0.117","0.0599","","","0.1424","0.1968","","","","","","1.093","","","","has coordinates,has Fobs","191421","2020-10-21","18:00:00",""
"2020703","18.7651","0.001","6.9193","0.0004","17.259","0.001","90","","90","","90","","2240.9","0.2","296","2","296","2","","","","","","","","4","P n m a","-P 2ac 2n","62","","(<i>E</i>)-2,6-Di-<i>tert</i>-butyl-4-{[2-(2,4-dinitrophenyl)hydrazinylidene]methyl}phenol","","- C21 H26 N4 O5 -","- C21 H26 N4 O5 -","- C84 H104 N16 O20 -","4","0.5","","Faizi, Md. Serajul Haque; Dege, Necmi; Haque, Ashanul; Kalibabchuk, Valentina A.; Cemberci, Mustafa","Crystal structure of (E)-2,6-di-tert-butyl-4-{[2-(2,4-dinitrophenyl)hydrazinylidene]methyl}phenol","Acta Crystallographica Section E Crystallographic Communications","2017","73","2","96","","10.1107/S2056989016020107","","","0.71073","MoKα","","0.1842","0.0712","","","0.1633","0.2146","","","","","","0.963","","","","has coordinates,has Fobs","189993","2020-10-21","18:00:00",""
"2020704","29.525","0.002","4.94","0.0008","25.663","0.0011","90","","117.225","0.001","90","","3328.4","0.6","295","2","295","","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","{2,3,7,8,12,13,17,18-Octaethyl-5-[(methylimino)methyl]porphyrinato-κ^4^<i>N</i>^21^,<i>N</i>^22^,<i>N</i>^23^,<i>N</i>^24^}palladium(II)","","- C38 H47 N5 Pd -","- C38 H47 N5 Pd -","- C152 H188 N20 Pd4 -","4","0.5","CU3109","Erzina, Dina R.; Zamilatskov, Ilya A.; Kurochkina, Nadezhda M.; Ponomarev, Gelii V.; Tafeenko, Victor A.","Structural explanation of the spectral features of the nonsymmetrical complex {2,3,7,8,12,13,17,18-octaethyl-5-[(methylimino)methyl]porphyrinato-κ^4^<i>N</i>^21^,<i>N</i>^22^,<i>N</i>^23^,<i>N</i>^24^}palladium(II)","Acta Crystallographica Section C","2017","73","2","68","71","10.1107/S2053229616020465","","","1.54186","CuKα","","0.0835","0.0632","","","0.1662","0.1828","","","","","","1.112","","","","has coordinates,has disorder,has Fobs","211179","2020-10-21","18:00:00",""
"2020705","9.4371","0.0011","18.909","0.002","14.4981","0.0015","90","","104.162","0.002","90","","2508.5","0.5","296","2","296","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","Poly[(μ~5~-1,1'-biphenyl-2,2',4,4'-tetracarboxylato)bis[μ~2~-1,4-bis(1<i>H</i>-imidazol-1-yl)benzene]dizinc(II)]","","- C28 H16 N4 O8 Zn2 -","- C28 H16 N4 O8 Zn2 -","- C112 H64 N16 O32 Zn8 -","4","0.5","EG3213","Su, Feng; Lu, Liping; Zhou, Chengyong; Wang, Xiaoxia; Sun, Long; Han, Chun","A three-dimensional Zn^II^ coordination polymer constructed from 1,1'-biphenyl-2,2',4,4'-tetracarboxylate and 1,4-bis(1<i>H</i>-imidazol-1-yl)benzene ligands exhibiting photoluminescence","Acta Crystallographica Section C","2017","73","2","72","77","10.1107/S2053229617000213","","","0.71073","MoKα","","0.0498","0.0347","","","0.0868","0.0952","","","","","","1.003","","","","has coordinates,has Fobs","193977","2020-10-21","18:00:00",""
"2020706","12.8212","0.0005","10.5085","0.0004","10.6608","0.0005","90","","90","","90","","1436.35","0.1","293","2","293","2","","","","","","","","5","P n a 21","P 2c -2n","33","","(2-Hydroxybenzoyl)carbonohydrazonodithioate","","- C12 H16 N2 O2 S2 -","- C12 H16 N2 O2 S2 -","- C48 H64 N8 O8 S8 -","4","1","FN3226","Szczesio, Małgorzata; Olczak, Andrzej; Mazerant, Ida; Gobis, Katarzyna; Foks, Henryk; Główka, Marek L.","Planarity of benzoylthiocarbazate tuberculostatics. III. Diesters of 3-(2-hydroxybenzoyl)dithiocarbazic acid","Acta Crystallographica Section C","2017","73","2","84","90","10.1107/S2053229616020556","","","1.54178","CuKα","","0.0293","0.0291","","","0.0809","0.0814","","","","","","1.06","","","","has coordinates,has disorder,has Fobs","193974","2020-10-21","18:00:00",""
"2020707","13.2762","0.0002","12.6138","0.0002","10.1742","0.0002","90","","108.597","0.0009","90","","1614.84","0.05","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","(<i>Z</i>)-Benzyl methyl (2-hydroxybenzoyl)carbonohydrazonodithioate","","- C16 H16 N2 O2 S2 -","- C16 H16 N2 O2 S2 -","- C64 H64 N8 O8 S8 -","4","1","","Szczesio, Małgorzata; Olczak, Andrzej; Mazerant, Ida; Gobis, Katarzyna; Foks, Henryk; Główka, Marek L.","Planarity of benzoylthiocarbazate tuberculostatics. III. Diesters of 3-(2-hydroxybenzoyl)dithiocarbazic acid","Acta Crystallographica Section C","2017","73","2","84","90","10.1107/S2053229616020556","","","1.54178","CuKα","","0.0366","0.0354","","","0.102","0.1043","","","","","","1.051","","","","has coordinates,has Fobs","193974","2020-10-21","18:00:00",""
"2020708","8.795","0.0018","10.254","0.002","14.044","0.003","74.95","0.03","76.74","0.03","88.99","0.03","1189.3","0.5","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","Dibenzyl (2-hydroxybenzoyl)carbonohydrazonodithioate propan-2-ol monosolvate","","- C25 H28 N2 O3 S2 -","- C25 H28 N2 O3 S2 -","- C50 H56 N4 O6 S4 -","2","1","","Szczesio, Małgorzata; Olczak, Andrzej; Mazerant, Ida; Gobis, Katarzyna; Foks, Henryk; Główka, Marek L.","Planarity of benzoylthiocarbazate tuberculostatics. III. Diesters of 3-(2-hydroxybenzoyl)dithiocarbazic acid","Acta Crystallographica Section C","2017","73","2","84","90","10.1107/S2053229616020556","","","1.54178","CuKα","","0.0339","0.0334","","","0.1272","0.1277","","","","","","1.756","","","","has coordinates,has Fobs","193974","2020-10-21","18:00:00",""
"2020709","9.491","0.0012","18.7233","0.0013","11.9855","0.0017","90","","101.315","0.003","90","","2088.5","0.4","291","2","291","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","Poly[[μ-1,5-bis(2-methyl-1<i>H</i>-imidazol-1-yl)pentane-κ^2^<i>N</i>^3^:<i>N</i>^3'^](μ-5-methylisophthalato-κ^2^<i>O</i>^1^:<i>O</i>^3^)zinc(II)]","","- C22 H26 N4 O4 Zn -","- C22 H26 N4 O4 Zn -","- C88 H104 N16 O16 Zn4 -","4","1","FM3047","Tan, Xiong-Wen; Li, Heng-Feng; Li, Chang-Hong","Two new isomeric zinc(II) metal‒organic frameworks based on 1,5-bis(2-methyl-1<i>H</i>-imidazol-1-yl)pentane and 5-methylisophthalate ligands","Acta Crystallographica Section C","2017","73","2","78","83","10.1107/S2053229616020520","","","0.71073","MoKα","","0.0635","0.0533","","","0.1023","0.1035","","","","","","1.043","","","","has coordinates","193976","2020-10-21","18:00:00",""
"2020710","11.1005","0.0017","17.486","0.003","16.372","0.002","90","","95.625","0.002","90","","3162.6","0.8","296","2","296","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","Poly[[μ-1,5-bis(2-methyl-1<i>H</i>-imidazol-1-yl)pentane-κ^2^<i>N</i>^3^:<i>N</i>^3'^](μ~3~-5-methylisophthalato-κ^3^<i>O</i>^1^:<i>O</i>^1'^:<i>O</i>^3^)(μ~3~-5-methylisophthalato-κ^4^<i>O</i>^1^:<i>O</i>^1'^:<i>O</i>^3^,<i>O</i>^3'^)dizinc(II)]","","- C31 H32 N4 O8 Zn2 -","- C31 H32 N4 O8 Zn2 -","- C124 H128 N16 O32 Zn8 -","4","1","","Tan, Xiong-Wen; Li, Heng-Feng; Li, Chang-Hong","Two new isomeric zinc(II) metal‒organic frameworks based on 1,5-bis(2-methyl-1<i>H</i>-imidazol-1-yl)pentane and 5-methylisophthalate ligands","Acta Crystallographica Section C","2017","73","2","78","83","10.1107/S2053229616020520","","","0.71073","MoKα","","0.063","0.0343","","","0.0742","0.0862","","","","","","1.003","","","","has coordinates,has disorder","193976","2020-10-21","18:00:00",""
"2020711","9.3964","0.0001","9.3964","0.0001","9.3964","0.0001","90","","90","","90","","829.63","0.015","296","2","296","2","","","","","","","","4","F m -3 m","-F 4 2 3","225","ammonium hexafluoroaluminate","ammonium heptafluorohafnate","","- F7 H12 Hf N3 -","- F6.9984 H11.9976 Hf N3 -","- F27.9936 H47.9904 Hf4 N12 -","4","0.0208333","","Udovenko, Anatoly A.; Karabtsov, Alexander A.; Laptash, Natalia M.","Crystallographic features of ammonium fluoroelpasolites: dynamic orientational disorder in crystals of (NH~4~)~3~HfF~7~ and (NH~4~)~3~Ti(O~2~)F~5~","Acta Crystallographica Section B","2017","73","1","1","9","10.1107/S2052520616017534","","","0.71073","MoKα","","0.009","0.009","","","0.0187","0.0187","","","","","","1.193","","","","has coordinates,has Fobs","191417","2020-10-21","18:00:00",""
"2020712","9.2327","0.0001","9.2327","0.0001","9.2327","0.0001","90","","90","","90","","787.021","0.015","296","2","296","2","","","","","","","","5","F m -3 m","-F 4 2 3","225","pentafluorooxotitanium","pentafluorooxotitanium","","- F5 H12 N3 O2 Ti -","- F4.9992 H11.9976 N3 O1.9992 Ti -","- F19.9968 H47.9904 N12 O7.9968 Ti4 -","4","0.0208333","","Udovenko, Anatoly A.; Karabtsov, Alexander A.; Laptash, Natalia M.","Crystallographic features of ammonium fluoroelpasolites: dynamic orientational disorder in crystals of (NH~4~)~3~HfF~7~ and (NH~4~)~3~Ti(O~2~)F~5~","Acta Crystallographica Section B","2017","73","1","1","9","10.1107/S2052520616017534","","","0.71073","MoKα","","0.014","0.014","","","0.04","0.04","","","","","","1.032","","","","has coordinates,has Fobs","191417","2020-10-21","18:00:00",""
"2020713","10.174","0.002","12.538","0.003","13.665","0.003","63.45","0.03","77.06","0.03","73.02","0.03","1482.4","0.7","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","<i>catena</i>-Poly[[bis{1-[(1<i>H</i>-benzotriazol-1-yl)methyl]-1<i>H</i>-1,3-imidazole-κ<i>N</i>^3^}copper(II)]-μ-benzene-1,3-dicarboxylato-κ^3^<i>O</i>^1^,<i>O</i>^1'^:<i>O</i>^3^]","","- C28 H28 Cu N10 O7 -","- C28 H28 Cu N10 O7 -","- C56 H56 Cu2 N20 O14 -","2","1","","Li, Jian-Hua; Zhu, Meng-Di; Huang, Qiu-Ying","A new one-dimensional Cu^II^ complex with a three-dimensional supramolecular architecture incorporating benzene-1,3-dicarboxylate and 1-[(1<i>H</i>-benzotriazol-1-yl)methyl]-1<i>H</i>-imidazole","Acta Crystallographica Section C","2017","73","2","91","96","10.1107/S2053229617000997","","","0.71073","MoKα","","0.0789","0.0598","","","0.1352","0.148","","","","","","1.033","","","","has coordinates,has Fobs","193973","2020-10-21","18:00:00",""
"2020715","17.4366","0.0004","22.7127","0.0005","8.8598","0.0002","90","","90","","90","","3508.77","0.14","120","2","120","2","","","","","","","","5","P n a 21","P 2c -2n","33","","<i>N</i>-Benzyl-<i>P</i>-phenyl-<i>N</i>'-(<i>p</i>-tolyl)phosphonic diamide","","- C20 H21 N2 O P -","- C20 H21 N2 O P -","- C160 H168 N16 O8 P8 -","8","2","","Hamzehee, Farahnaz; Pourayoubi, Mehrdad; Nečas, Marek; Choquesillo-Lazarte, Duane","Extensive analysis of N—H···O hydrogen bonding in four classes of phosphorus compounds: a combined experimental and database study","Acta Crystallographica Section C","2017","73","3","","","10.1107/S2053229617001516","","","0.71073","MoKα","","0.0425","0.0355","","","0.084","0.0885","","","","","","1.025","","","","has coordinates,has Fobs","192429","2020-10-21","18:00:00",""
"2020716","18.7952","0.0003","18.7952","0.0003","8.5279","0.0003","90","","90","","90","","3012.56","0.13","120","2","120","2","","","","","","","","5","P -4 21 c","P -4 2n","114","","Diphenylphosphinic 1-methylpropylamide","","- C16 H20 N O P -","- C16 H20 N O P -","- C128 H160 N8 O8 P8 -","8","1","","Hamzehee, Farahnaz; Pourayoubi, Mehrdad; Nečas, Marek; Choquesillo-Lazarte, Duane","Extensive analysis of N—H···O hydrogen bonding in four classes of phosphorus compounds: a combined experimental and database study","Acta Crystallographica Section C","2017","73","3","","","10.1107/S2053229617001516","","","0.71073","MoKα","","0.0588","0.0543","","","0.1412","0.1462","","","","","","1.091","","","","has coordinates,has Fobs","192429","2020-10-21","18:00:00",""
"2020717","5.3629","0.0001","13.726","0.0003","27.8653","0.0006","90","","90","","90","","2051.2","0.07","120","2","120","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","(<i>S</i>)-1-Phenylethylammonium <i>N</i>-[(<i>S</i>)-1-phenylethyl]phenylphosphonamidate","","- C22 H27 N2 O2 P -","- C22 H27 N2 O2 P -","- C88 H108 N8 O8 P4 -","4","1","","Hamzehee, Farahnaz; Pourayoubi, Mehrdad; Nečas, Marek; Choquesillo-Lazarte, Duane","Extensive analysis of N—H···O hydrogen bonding in four classes of phosphorus compounds: a combined experimental and database study","Acta Crystallographica Section C","2017","73","3","","","10.1107/S2053229617001516","","","0.71073","MoKα","","0.0336","0.0305","","","0.0743","0.0764","","","","","","1.045","","","","has coordinates,has Fobs","192429","2020-10-21","18:00:00",""
"2020718","6.0483","0.0001","18.854","0.0005","15.4364","0.0005","90","","97.231","0.001","90","","1746.28","0.08","100","2","100","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","4-methylbenzyl ammonium diphenylphosphinate","(4-Methylbenzyl)ammonium diphenylphosphinate","","- C20 H22 N O2 P -","- C20 H22 N O2 P -","- C80 H88 N4 O8 P4 -","4","1","","Hamzehee, Farahnaz; Pourayoubi, Mehrdad; Nečas, Marek; Choquesillo-Lazarte, Duane","Extensive analysis of N—H···O hydrogen bonding in four classes of phosphorus compounds: a combined experimental and database study","Acta Crystallographica Section C","2017","73","3","","","10.1107/S2053229617001516","","","0.71073","MoKα","","0.0592","0.0413","","","0.0905","0.1007","","","","","","1.084","","","","has coordinates,has Fobs","192429","2020-10-21","18:00:00",""
"2020719","13.0725","0.0007","12.3992","0.0006","30.0047","0.0016","90","","99.734","0.005","90","","4793.4","0.4","99.97","0.18","99.97","0.18","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","Bis(triphenylphosphane-κ<i>P</i>)[<i>trans</i>-(±)-2,4,5-tris(pyridin-2-yl)-2-imidazoline-κ^2^<i>N</i>^2^,<i>N</i>^3^]copper(I) hexafluorophosphate","","- C54 H45 Cu F6 N5 P3 -","- C54 H45 Cu F6 N5 P3 -","- C216 H180 Cu4 F24 N20 P12 -","4","1","WQ3130","Báez-Castro, Alberto; Baldenebro-López, Jesús; Ceballos-Mendivil, Laura; Román-Bravo, Perla P.; Höpfl, Herbert; Miranda-Soto, Valentín; Glossman-Mitnik, Daniel; Cruz-Enríquez, Adriana; Campos-Gaxiola, José J.","Synthesis, crystal structure, DFT studies and photophysical properties of a copper(I)‒triphenylphosphane complex based on <i>trans</i>-(±)-2,4,5-tris(pyridin-2-yl)-2-imidazoline","Acta Crystallographica Section C","2017","73","3","","","10.1107/S2053229617002522","","","0.71073","MoKα","","0.0628","0.0498","","","0.1174","0.1272","","","","","","1.038","","","","has coordinates,has Fobs","192430","2020-10-21","18:00:00",""
"2020720","19.7282","0.0006","9.7644","0.0003","20.7157","0.0007","90","","90","","90","","3990.5","0.2","296","2","296","2","","","","","","","","6","P b c a","-P 2ac 2ab","61","","1-(4-Fluorophenyl)-5-methylsulfonyl-3-[4-(trifluoromethyl)phenyl]-4,5,6,7-tetrahydro-1<i>H</i>-pyrazolo[4,3-<i>c</i>]pyridine","","- C21 H19 F4 N3 O2 S -","- C21 H19 F4 N3 O2 S -","- C168 H152 F32 N24 O16 S8 -","8","1","YF3117","Sagar, Belakavadi K.; Harsha, Kachigere B.; Yathirajan, Hemmige S.; Rangappa, Kanchugarakoppal S.; Rathore, Ravindranath S.; Glidewell, Christopher","Three closely related 4,5,6,7-tetrahydro-1<i>H</i>-pyrazolo[4,3-<i>c</i>]pyridines: synthesis, molecular conformations and hydrogen bonding in zero, one and two dimensions","Acta Crystallographica Section C","2017","73","3","298","304","10.1107/S205322961700273X","","","0.71073","MoKα","","0.0987","0.0581","","","0.1592","0.2102","","","","","","1.117","","","","has coordinates,has Fobs","192748","2020-10-21","18:00:00",""
"2020721","5.4468","0.0002","11.4102","0.0004","34.3009","0.0009","90","","90","","90","","2131.77","0.12","296","2","296","2","","","","","","","","7","P 21 21 21","P 2ac 2ab","19","","1-(4-Chlorophenyl)-5-methylsulfonyl-3-[4-(trifluoromethyl)phenyl]-4,5,6,7-tetrahydro-1<i>H</i>-pyrazolo[4,3-<i>c</i>]pyridine","","- C21 H19 Cl F3 N3 O2 S -","- C21 H19 Cl F3 N3 O2 S -","- C84 H76 Cl4 F12 N12 O8 S4 -","4","1","YF3117","Sagar, Belakavadi K.; Harsha, Kachigere B.; Yathirajan, Hemmige S.; Rangappa, Kanchugarakoppal S.; Rathore, Ravindranath S.; Glidewell, Christopher","Three closely related 4,5,6,7-tetrahydro-1<i>H</i>-pyrazolo[4,3-<i>c</i>]pyridines: synthesis, molecular conformations and hydrogen bonding in zero, one and two dimensions","Acta Crystallographica Section C","2017","73","3","298","304","10.1107/S205322961700273X","","","0.71073","MoKα","","0.0649","0.0392","","","0.0812","0.0931","","","","","","1.025","","","","has coordinates,has disorder,has Fobs","192748","2020-10-21","18:00:00",""
"2020722","13.8408","0.001","8.7145","0.0006","18.0898","0.0013","90","","106.47","0.002","90","","2092.4","0.3","296","2","296","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","1-(3-methylphenyl)-5-methylsulfonyl-3-[4-(trifluoromethyl)phenyl]-4,5,6,7-tetrahydro-1<i>H</i>-pyrazolo[4,3-<i>c</i>]pyridine","","- C22 H22 F3 N3 O2 S -","- C22 H22 F3 N3 O2 S -","- C88 H88 F12 N12 O8 S4 -","4","1","YF3117","Sagar, Belakavadi K.; Harsha, Kachigere B.; Yathirajan, Hemmige S.; Rangappa, Kanchugarakoppal S.; Rathore, Ravindranath S.; Glidewell, Christopher","Three closely related 4,5,6,7-tetrahydro-1<i>H</i>-pyrazolo[4,3-<i>c</i>]pyridines: synthesis, molecular conformations and hydrogen bonding in zero, one and two dimensions","Acta Crystallographica Section C","2017","73","3","298","304","10.1107/S205322961700273X","","","0.71073","MoKα","","0.0809","0.0437","","","0.0945","0.1118","","","","","","1.038","","","","has coordinates,has disorder,has Fobs","211400","2020-10-21","18:00:00",""
"2020723","7.6678","0.0004","11.5007","0.0005","15.7874","0.0008","96.249","0.003","96.752","0.003","90.796","0.003","1373.84","0.12","296","2","296","2","","","","","","","","4","P -1","-P 1","2","","3-(4-Fluorophenyl)-1-(naphthalen-2-yl)prop-2-en-1-one","","- C19 H13 F O -","- C19 H13 F O -","- C76 H52 F4 O4 -","4","2","SK3650","Girisha, Marisiddaiah; Sagar, Belakavadi K.; Yathirajan, Hemmige S.; Rathore, Ravindranath S.; Glidewell, Christopher","Three closely related 1-(naphthalen-2-yl)prop-2-en-1-ones: pseudosymmetry, disorder and supramoleular assembly mediated by C—H···π and C—Br···π interactions","Acta Crystallographica Section C","2017","73","2","115","120","10.1107/S205322961700105X","","","0.71073","MoKα","","0.1211","0.0548","","","0.1353","0.1821","","","","","","1.055","","","","has coordinates,has Fobs","193921","2020-10-21","18:00:00",""
"2020724","5.8714","0.0005","7.8616","0.0007","15.5954","0.0013","95.007","0.005","90.218","0.005","92.179","0.005","716.58","0.11","296","2","296","2","","","","","","","","4","P -1","-P 1","2","","3-(4-Bromophenyl)-1-(naphthalen-2-yl)prop-2-en-1-one","","- C19 H13 Br O -","- C19 H13 Br O -","- C38 H26 Br2 O2 -","2","1","SK3650","Girisha, Marisiddaiah; Sagar, Belakavadi K.; Yathirajan, Hemmige S.; Rathore, Ravindranath S.; Glidewell, Christopher","Three closely related 1-(naphthalen-2-yl)prop-2-en-1-ones: pseudosymmetry, disorder and supramoleular assembly mediated by C—H···π and C—Br···π interactions","Acta Crystallographica Section C","2017","73","2","115","120","10.1107/S205322961700105X","","","0.71073","MoKα","","0.1039","0.0489","","","0.0705","0.0822","","","","","","1.051","","","","has coordinates,has Fobs","193921","2020-10-21","18:00:00",""
"2020725","5.8271","0.0003","7.4489","0.0004","15.2068","0.0009","79.745","0.003","84.427","0.003","85.763","0.003","645.36","0.06","296","2","296","2","","","","","","","","4","P -1","-P 1","2","","1-(Naphthalen-2-yl)-3-(thiophen-2-yl)prop-2-en-1-one","","- C17 H12 O S -","- C17 H12 O S -","- C34 H24 O2 S2 -","2","1","SK3650","Girisha, Marisiddaiah; Sagar, Belakavadi K.; Yathirajan, Hemmige S.; Rathore, Ravindranath S.; Glidewell, Christopher","Three closely related 1-(naphthalen-2-yl)prop-2-en-1-ones: pseudosymmetry, disorder and supramoleular assembly mediated by C—H···π and C—Br···π interactions","Acta Crystallographica Section C","2017","73","2","115","120","10.1107/S205322961700105X","","","0.71073","MoKα","","0.0727","0.0575","","","0.1322","0.1404","","","","","","1.124","","","","has coordinates,has disorder,has Fobs","193921","2020-10-21","18:00:00",""
"2020726","7.7669","0.0006","9.1516","0.0006","12.4114","0.0009","99.665","0.003","104.29","0.003","93.968","0.003","837.1","0.11","100","2","100","2","","","","","","","","6","P -1","-P 1","2","Cobalt complex, 1","Tetrakis(acetonitrile-κ<i>N</i>)bis(tetrahydrofuran-κ<i>O</i>)cobalt(II) bis[(acetonitrile-κ<i>N</i>)trichloridocobaltate(II)]","","- C20 H34 Cl6 Co3 N6 O2 -","- C20 H34 Cl6 Co3 N6 O2 -","- C20 H34 Cl6 Co3 N6 O2 -","1","0.5","KY3112","Stinghen, Danilo; Rüdiger, André Luis; Giese, Siddhartha O. K.; Nunes, Giovana G.; Soares, Jaísa F.; Hughes, David L.","Cobalt(II) chloride adducts with acetonitrile, propan-2-ol and tetrahydrofuran: considerations on nuclearity, reactivity and synthetic applications","Acta Crystallographica Section C","2017","73","2","104","114","10.1107/S2053229617000705","","","0.71073","MoKα","","0.0277","0.0214","","","0.0506","0.0528","","","","","","1.061","","","","has coordinates,has disorder,has Fobs","193922","2020-10-21","18:00:00",""
"2020727","16.5619","0.0009","9.4778","0.0005","15.6842","0.0009","90","","116.411","0.002","90","","2205","0.2","100","2","100","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","Cobalt complex 2","<i>catena</i>-Poly[[tetrakis(propan-2-ol-κ<i>O</i>)cobalt(II)]-μ-chlorido-[dichloridocobalt(II)]-μ-chlorido]","","- C12 H32 Cl4 Co2 O4 -","- C12 H32 Cl4 Co2 O4 -","- C48 H128 Cl16 Co8 O16 -","4","0.5","KY3112","Stinghen, Danilo; Rüdiger, André Luis; Giese, Siddhartha O. K.; Nunes, Giovana G.; Soares, Jaísa F.; Hughes, David L.","Cobalt(II) chloride adducts with acetonitrile, propan-2-ol and tetrahydrofuran: considerations on nuclearity, reactivity and synthetic applications","Acta Crystallographica Section C","2017","73","2","104","114","10.1107/S2053229617000705","","","0.71073","MoKα","","0.0349","0.0266","","","0.07","0.073","","","","","","1.078","","","","has coordinates,has Fobs","193922","2020-10-21","18:00:00",""
"2020728","14.733","0.003","9.6318","0.0017","15.993","0.004","90","","93.737","0.008","90","","2264.7","0.8","100","2","100","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","Cobalt complex 3","Di-μ-chlorido-1:2κ^4^<i>Cl</i>:<i>Cl</i>-dichlorido-2κ^2^<i>Cl</i>-tetrakis(tetrahydrofuran-1κ<i>O</i>)dicobalt(II)","","- C16 H32 Cl4 Co2 O4 -","- C16 H32 Cl4 Co2 O4 -","- C64 H128 Cl16 Co8 O16 -","4","1","KY3112","Stinghen, Danilo; Rüdiger, André Luis; Giese, Siddhartha O. K.; Nunes, Giovana G.; Soares, Jaísa F.; Hughes, David L.","Cobalt(II) chloride adducts with acetonitrile, propan-2-ol and tetrahydrofuran: considerations on nuclearity, reactivity and synthetic applications","Acta Crystallographica Section C","2017","73","2","104","114","10.1107/S2053229617000705","","","0.71073","MoKα","","0.1222","0.058","","","0.1182","0.1328","","","","","","0.936","","","","has coordinates,has Fobs","193922","2020-10-21","18:00:00",""
"2020729","10.9626","0.0005","10.2601","0.0004","8.7673","0.0004","90","","91.421","0.002","90","","985.82","0.07","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","Ethylenediaminium 2,2'-thiodiacetate","","- C6 H14 N2 O4 S -","- C6 H14 N2 O4 S -","- C24 H56 N8 O16 S4 -","4","1","QS3058","Gomathi, V.; Theivarasu, C.","Hydrogen-bonded assemblies in the molecular crystals of 2,2'-thiodiacetic acid with ethylenediamine and <i>o</i>-phenylenediamine","Acta Crystallographica Section C","2017","73","2","97","103","10.1107/S2053229617000559","","","0.71073","MoKα","","0.0311","0.0262","","","0.0655","0.0705","","","","","","1.057","","","","has coordinates,has Fobs","193923","2020-10-21","18:00:00",""
"2020730","4.9006","0.0004","12.9808","0.001","18.9837","0.0015","90","","92.978","0.008","90","","1205.99","0.17","293","2","293","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","2-Aminoanilinium 2-(carboxymethylsulfanyl)acetate","","- C10 H14 N2 O4 S -","- C10 H14 N2 O4 S -","- C40 H56 N8 O16 S4 -","4","1","QS3058","Gomathi, V.; Theivarasu, C.","Hydrogen-bonded assemblies in the molecular crystals of 2,2'-thiodiacetic acid with ethylenediamine and <i>o</i>-phenylenediamine","Acta Crystallographica Section C","2017","73","2","97","103","10.1107/S2053229617000559","","","0.71073","MoKα","","0.0889","0.0457","","","0.0808","0.0992","","","","","","0.945","","","","has coordinates,has disorder,has Fobs","193923","2020-10-21","18:00:00",""
"2020731","14.1632","0.0004","14.1632","0.0004","14.1632","0.0004","90","","90","","90","","2841.08","0.14","200","2","200","2","","","","","","","","3","F m -3 m","-F 4 2 3","225","","","","- Cd23 Ce6 Te -","- Cd23 Ce6 Te -","- Cd92 Ce24 Te4 -","4","0.0208333","FN3229","Desroches, Griffen; Bobev, Svilen","Synthesis and structure determination of Ce~6~Cd~23~Te: a new chalcogen-containing member of the <i>RE</i>~6~Cd~23~T family (<i>RE</i> is a rare-earth metal and T is a late group 14, 15 and 16 element)","Acta Crystallographica Section C","2017","73","2","121","125","10.1107/S2053229617001243","","","0.71073","MoKα","","0.0214","0.0189","","","0.0417","0.0423","","","","","","1.164","","","","has coordinates,has Fobs","193924","2020-10-21","18:00:00",""
"2020732","12.98","0.003","12.98","0.003","29.734","0.006","90","","90","","90","","5009.6","1.9","293","","293","","","","","","","","","5","P 41 21 2","P 4abw 2nw","92","","(<i>S</i>)-2-[1-(3-Ethoxy-4-methoxyphenyl)-2-(methylsulfonyl)ethyl]-4-acetamidoisoindoline-1,3-dione toluene hemisolvate","","- C25.5 H28 N2 O7 S -","- C25.5 H28 N2 O7 S -","- C204 H224 N16 O56 S8 -","8","1","FM3048","Wu, Yun-Deng; Zhang, Xiao-Lei; Liu, Xiao-Hong; Xu, Jian; Zhang, Mei; Shen, Kun; Zhang, Si-Han; He, Yong-Mei; Ma, Yan; Zhang, Ai-Hua","The preparation, characterization, structure and dissolution analysis of apremilast solvatomorphs","Acta Crystallographica Section C Structural Chemistry","2017","73","4","","","10.1107/S2053229617002984","","","0.71073","MoKα","","0.1815","0.0985","","","0.1824","0.2244","","","","","","1.005","","","","has coordinates,has disorder,has Fobs","194035","2020-10-21","18:00:00",""
"2020733","13.171","0.003","13.171","0.003","29.524","0.006","90","","90","","90","","5122","2","293.15","","293.15","","","","","","","","","6","P 41 21 2","P 4abw 2nw","92","","(<i>S</i>)-2-[1-(3-Ethoxy-4-methoxyphenyl)-2-(methylsulfonyl)ethyl]-4-acetamidoisoindoline-1,3-dione dichloromethane monosolvate","","- C23 H26 Cl2 N2 O7 S -","- C23 H26 Cl2 N2 O7 S -","- C184 H208 Cl16 N16 O56 S8 -","8","1","FM3048","Wu, Yun-Deng; Zhang, Xiao-Lei; Liu, Xiao-Hong; Xu, Jian; Zhang, Mei; Shen, Kun; Zhang, Si-Han; He, Yong-Mei; Ma, Yan; Zhang, Ai-Hua","The preparation, characterization, structure and dissolution analysis of apremilast solvatomorphs","Acta Crystallographica Section C Structural Chemistry","2017","73","4","","","10.1107/S2053229617002984","","","0.71073","MoKα","","0.1072","0.0571","","","0.1132","0.1347","","","","","","0.998","","","","has coordinates,has Fobs","194035","2020-10-21","18:00:00",""
"2020734","13.0307","0.0018","13.0307","0.0018","29.754","0.006","90","","90","","90","","5052.2","1.4","293.15","","293.15","","","","","","","","","5","P 41 21 2","P 4abw 2nw","92","","(<i>S</i>)-2-[1-(3-Ethoxy-4-methoxyphenyl)-2-(methylsulfonyl)ethyl]-4-acetamidoisoindoline-1,3-dione ethyl acetate hemisolvate","","- C24 H28 N2 O8 S -","- C24 H28 N2 O8 S -","- C192 H224 N16 O64 S8 -","8","1","FM3048","Wu, Yun-Deng; Zhang, Xiao-Lei; Liu, Xiao-Hong; Xu, Jian; Zhang, Mei; Shen, Kun; Zhang, Si-Han; He, Yong-Mei; Ma, Yan; Zhang, Ai-Hua","The preparation, characterization, structure and dissolution analysis of apremilast solvatomorphs","Acta Crystallographica Section C Structural Chemistry","2017","73","4","","","10.1107/S2053229617002984","","","0.71073","MoKα","","0.104","0.0576","","","0.1208","0.1431","","","","","","0.957","","","","has coordinates,has disorder,has Fobs","194035","2020-10-21","18:00:00",""
"2020735","11.756","0.002","11.764","0.002","17.407","0.004","90","","90","","90","","2407.3","0.8","293","2","293","2","","","","","","","","5","P b c n","-P 2n 2ab","60","","Bis{1-[(benzotriazol-1-yl)methyl]-1<i>H</i>-1,3-imidazole-κ<i>N</i>^3^}dibromidomercury(II)","","- C20 H18 Br2 Hg N10 -","- C20 H18 Br2 Hg N10 -","- C80 H72 Br8 Hg4 N40 -","4","0.5","","Wei, Xu; Li, Jian-Hua; Huang, Qiu-Ying; Meng, Xiang-Ru","Two new isostructural mercury(II) complexes involving the N-heterocyclic 1-[(benzotriazol-1-yl)methyl]-1<i>H</i>-1,3-imidazole ligand: syntheses, structures and properties","Acta Crystallographica Section C","2017","73","4","","","10.1107/S2053229617003199","","","0.71073","MoKα","","0.0557","0.0421","","","0.0803","0.0858","","","","","","1.178","","","","has coordinates,has Fobs","194036","2020-10-21","18:00:00",""
"2020736","12.103","0.002","11.827","0.002","17.862","0.004","90","","90","","90","","2556.8","0.8","293","2","293","2","","","","","","","","5","P b c n","-P 2n 2ab","60","","Bis{1-[(benzotriazol-1-yl)methyl]-1<i>H</i>-1,3-imidazole-κ<i>N</i>^3^}diiodidomercury(II)","","- C20 H18 Hg I2 N10 -","- C20 H18 Hg I2 N10 -","- C80 H72 Hg4 I8 N40 -","4","0.5","","Wei, Xu; Li, Jian-Hua; Huang, Qiu-Ying; Meng, Xiang-Ru","Two new isostructural mercury(II) complexes involving the N-heterocyclic 1-[(benzotriazol-1-yl)methyl]-1<i>H</i>-1,3-imidazole ligand: syntheses, structures and properties","Acta Crystallographica Section C","2017","73","4","","","10.1107/S2053229617003199","","","0.71073","MoKα","","0.0526","0.048","","","0.0842","0.0862","","","","","","1.28","","","","has coordinates,has Fobs","194036","2020-10-21","18:00:00",""
"2020737","8.3617","0.0008","8.7261","0.0008","8.859","0.0008","104.451","0.001","94.187","0.001","112.344","0.001","568.69","0.09","215","2","215","2","","","","","","","","4","P 1","P 1","1","","5,6-Bis(9<i>H</i>-carbazol-9-yl)benzo[<i>c</i>][1,2,5]thiadiazole","","- C30 H18 N4 S -","- C30 H18 N4 S -","- C30 H18 N4 S -","1","1","YF3115","Averkiev, Boris B.; Davydenko, Iryna; Wang, Xu; Barlow, Stephen; Marder, Seth R.","Crystal structure of 5,6-bis(9<i>H</i>-carbazol-9-yl)benzo[<i>c</i>][1,2,5]thiadiazole: distortion from a hypothetical higher-symmetry structure","Acta Crystallographica Section C","2017","73","4","319","324","10.1107/S2053229617003035","","","0.71073","MoKα","","0.0385","0.0367","","","0.0947","0.0974","","","","","","1.042","","","","has coordinates,has Fobs","196536","2020-10-21","18:00:00",""
"2020738","28.338","0.003","12.9466","0.0012","26.799","0.003","90","","113.336","0.001","90","","9027.8","1.6","215","2","215","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","5,6-Bis(9<i>H</i>-carbazol-9-yl)benzo[<i>c</i>][1,2,5]thiadiazole 0.125-hydrate","","- C30 H18.25 N4 O0.12 S -","- C30 H18.25 N4 O0.125 S -","- C480 H292 N64 O2 S16 -","16","2","YF3115","Averkiev, Boris B.; Davydenko, Iryna; Wang, Xu; Barlow, Stephen; Marder, Seth R.","Crystal structure of 5,6-bis(9<i>H</i>-carbazol-9-yl)benzo[<i>c</i>][1,2,5]thiadiazole: distortion from a hypothetical higher-symmetry structure","Acta Crystallographica Section C","2017","73","4","319","324","10.1107/S2053229617003035","","","0.71073","MoKα","","0.0599","0.0479","","","0.1239","0.1332","","","","","","1.018","","","","has coordinates","196536","2020-10-21","18:00:00",""
"2020739","8.5376","0.0004","15.22","0.001","12.1214","0.0006","90","","96.195","0.006","90","","1565.88","0.15","200","2","200","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","Diaquabis(4-cyanopyridine-κ<i>N</i>)bis(thiocyanato-κ<i>N</i>)iron(II) 4-cyanopyridine disolvate","","- C26 H20 Fe N10 O2 S2 -","- C26 H20 Fe N10 O2 S2 -","- C52 H40 Fe2 N20 O4 S4 -","2","0.5","WM5371","Jochim, Aleksej; Jess, Inke; Näther, Christian","Crystal structure of diaquabis(4-cyanopyridine-κN)bis(thiocyanato-κN)iron(II) 4-cyanopyridine disolvate","Acta Crystallographica Section E Crystallographic Communications","2017","73","4","463","","10.1107/S205698901700322X","","","0.71073","MoKα","","0.0511","0.0373","","","0.088","0.0936","","","","","","1.034","","","","has coordinates,has Fobs","194089","2020-10-21","18:00:00",""
"2020740","16.6534","0.0008","7.4129","0.0003","7.6073","0.0004","90","","97.795","0.004","90","","930.44","0.08","200","2","200","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","4-aminophenylarsonic acid hydrochloride","4-Arsonoanilinium chloride","","- C6 H9 As Cl N O3 -","- C6 H9 As Cl N O3 -","- C24 H36 As4 Cl4 N4 O12 -","4","1","KY3114","Smith, Graham; Wermuth, Urs D.","Unusual 4-arsonoanilinium cationic species in the hydrochloride salt of (4-aminophenyl)arsonic acid and formed in the reaction of the acid with copper(II) sulfate, copper(II) chloride and cadmium chloride","Acta Crystallographica Section C","2017","73","4","","","10.1107/S205322961700314X","","","0.71073","MoKα","","0.0342","0.0283","","","0.0655","0.0684","","","","","","1.057","","","","has coordinates,has Fobs","194123","2020-10-21","18:00:00",""
"2020741","15.0784","0.0006","11.2302","0.0004","8.6756","0.0004","90","","99.305","0.004","90","","1449.74","0.1","200","2","200","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","copper(II) sulfate <i>p</i>-arsanilate dihydrate","Hexaaquacopper(II) bis(4-arsonoanilinium) disulfate dihydrate","","- C12 H34 As2 Cu N2 O22 S2 -","- C12 H34 As2 Cu N2 O22 S2 -","- C24 H68 As4 Cu2 N4 O44 S4 -","2","0.5","KY3114","Smith, Graham; Wermuth, Urs D.","Unusual 4-arsonoanilinium cationic species in the hydrochloride salt of (4-aminophenyl)arsonic acid and formed in the reaction of the acid with copper(II) sulfate, copper(II) chloride and cadmium chloride","Acta Crystallographica Section C","2017","73","4","","","10.1107/S205322961700314X","","","0.71073","MoKα","","0.0334","0.0274","","","0.063","0.0658","","","","","","1.054","","","","has coordinates,has Fobs","194123","2020-10-21","18:00:00",""
"2020742","7.6315","0.0004","7.1244","0.0004","38.0925","0.0015","90","","90","","90","","2071.08","0.18","200","2","200","2","","","","","","","","7","P b c a","-P 2ac 2ab","61","bis(4-arsonoanilinium) tetrachlorocuprate(II)","Poly[bis(4-arsonoanilinium) [tetra-μ-chlorido-cuprate(II)]]","","- C12 H18 As2 Cl4 Cu N2 O6 -","- C12 H18 As2 Cl4 Cu N2 O6 -","- C48 H72 As8 Cl16 Cu4 N8 O24 -","4","0.5","KY3114","Smith, Graham; Wermuth, Urs D.","Unusual 4-arsonoanilinium cationic species in the hydrochloride salt of (4-aminophenyl)arsonic acid and formed in the reaction of the acid with copper(II) sulfate, copper(II) chloride and cadmium chloride","Acta Crystallographica Section C","2017","73","4","","","10.1107/S205322961700314X","","","0.71073","MoKα","","0.0428","0.0342","","","0.0842","0.0897","","","","","","1.13","","","","has coordinates,has Fobs","194123","2020-10-21","18:00:00",""
"2020743","7.5525","0.0004","7.2578","0.0003","38.5872","0.0017","90","","90","","90","","2115.14","0.17","200","2","200","2","","","","","","","","7","P b c a","-P 2ac 2ab","61","catena-[bis(4-arsonoanilinium) tetrachlorocadmate]","Poly[bis(4-arsonoanilinium) [tetra-μ-chlorido-cadmate(II)]]","","- C12 H18 As2 Cd Cl4 N2 O6 -","- C12 H18 As2 Cd Cl4 N2 O6 -","- C48 H72 As8 Cd4 Cl16 N8 O24 -","4","0.5","KY3114","Smith, Graham; Wermuth, Urs D.","Unusual 4-arsonoanilinium cationic species in the hydrochloride salt of (4-aminophenyl)arsonic acid and formed in the reaction of the acid with copper(II) sulfate, copper(II) chloride and cadmium chloride","Acta Crystallographica Section C","2017","73","4","","","10.1107/S205322961700314X","","","0.71073","MoKα","","0.0397","0.0319","","","0.0664","0.0701","","","","","","1.109","","","","has coordinates,has Fobs","194123","2020-10-21","18:00:00",""
"2020744","9.7681","0.0007","10.5358","0.0007","10.574","0.0008","90","","114.134","0.004","90","","993.1","0.13","100","2","100","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C12 H9 F N2 O -","- C12 H9 F N2 O -","- C48 H36 F4 N8 O4 -","4","1","AO5019","Sirohiwal, Abhishek; Hathwar, Venkatesha R.; Dey, Dhananjay; Regunathan, Roshni; Chopra, Deepak","Characterization of fluorine-centred `F...O' σ-hole interactions in the solid state","Acta Crystallographica Section B Structural Science, Crystal Engineering and Materials","2017","73","2","","","10.1107/S2052520616017492","","","0.71073","MoKα","","0.0869","0.0564","","","0.1436","0.1609","","","","","","1.112","","","","has coordinates,has Fobs","194250","2020-10-21","18:00:00",""
"2020745","4.7874","0.0004","8.2086","0.0006","27.2894","0.0018","90","","92.803","0.004","90","","1071.13","0.14","100","0.2","100","0.2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","4-[(2,2,3,3-Tetrafluoropropoxy)methyl]pyridinium chloride","","- C9 H10 Cl F4 N O -","- C9 H10 Cl F4 N O -","- C36 H40 Cl4 F16 N4 O4 -","4","1","KU3194","Lu, Norman; Wei, Rong-Jyun; Lin, Kwan-Yu; Alagesan, Mani; Wen, Yuh-Sheng; Liu, Ling-Kang","Weak hydrogen bonding and fluorous interactions in the chloride and bromide salts of 4-[(2,2,3,3-tetrafluoropropoxy)methyl]pyridinium","Acta Crystallographica Section C","2017","73","4","","","10.1107/S2053229617004016","","","0.71073","MoKα","","0.0401","0.0308","","","0.0674","0.0713","","","","","","1.051","","","","has coordinates,has Fobs","194405","2020-10-21","18:00:00",""
"2020746","4.7977","0.0003","8.3123","0.0006","27.739","0.002","90","","92.646","0.003","90","","1105.05","0.13","100","0.2","100","0.2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","4-[(2,2,3,3-Tetrafluoropropoxy)methyl]pyridinium bromide","","- C9 H10 Br F4 N O -","- C9 H10 Br F4 N O -","- C36 H40 Br4 F16 N4 O4 -","4","1","","Lu, Norman; Wei, Rong-Jyun; Lin, Kwan-Yu; Alagesan, Mani; Wen, Yuh-Sheng; Liu, Ling-Kang","Weak hydrogen bonding and fluorous interactions in the chloride and bromide salts of 4-[(2,2,3,3-tetrafluoropropoxy)methyl]pyridinium","Acta Crystallographica Section C","2017","73","4","","","10.1107/S2053229617004016","","","0.71073","MoKα","","0.0269","0.0209","","","0.0449","0.0469","","","","","","1.034","","","","has coordinates,has Fobs","194405","2020-10-21","18:00:00",""
"2020747","4.717","0.0007","4.717","0.0007","17.077","0.003","90","","90","","120","","329.06","0.09","293","2","293","2","","","","","","","","3","P -3 m 1","-P 3 2""","164","","Nonalithium tetraaluminium pentastannide","","- Al4 Li9 Sn5 -","- Al4 Li9 Sn5 -","- Al4 Li9 Sn5 -","1","0.0833333","","Pavlyuk, Volodymyr; Dmytriv, Grygoriy; Tarasiuk, Ivan; Ehrenberg, Helmut","Li~9~Al~4~Sn~5~ as a new ordered superstructure of the Li~13~Sn~5~ type","Acta Crystallographica Section C","2017","73","4","","","10.1107/S205322961700420X","","","0.71073","MoKα","","0.0243","0.0205","","","0.0644","0.0663","","","","","","1.103","","","","has coordinates,has Fobs","194406","2020-10-21","18:00:00",""
"2020748","15.008","0.003","11.798","0.003","9.0384","0.0019","90","","106.756","0.002","90","","1532.4","0.6","296","2","296.15","","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","Tricarbonylchlorido[2-(pyridin-2-yl)-1,3-benzothiazole-κ^2^<i>N</i>,<i>N</i>']manganese(I)","","- C15 H8 Cl Mn N2 O3 S -","- C15 H8 Cl Mn N2 O3 S -","- C60 H32 Cl4 Mn4 N8 O12 S4 -","4","1","SK3653","Stenger-Smith, Jenny; Chakraborty, Indranil; Carrington, Samantha; Mascharak, Pradip","Synthesis and structures of photoactive manganese‒carbonyl complexes derived from 2-(pyridin-2-yl)-1,3-benzothiazole and 2-(quinolin-2-yl)-1,3-benzothiazole","Acta Crystallographica Section C","2017","73","4","","","10.1107/S2053229617004429","","","0.71073","MoKα","","0.1304","0.0652","","","0.1625","0.1962","","","","","","1.039","","","","has coordinates,has Fobs","194472","2020-10-21","18:00:00",""
"2020749","9.1239","0.0005","16.4292","0.0009","12.2101","0.0006","90","","96.737","0.001","90","","1817.64","0.17","296","2","296.15","","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","<i>fac</i>-Tricarbonylchlorido[2-(quinolin-2-yl)-1,3-benzothiazole-κ^2^<i>N</i>,<i>N</i>']manganese(I)","","- C19 H10 Cl Mn N2 O3 S -","- C19 H10 Cl Mn N2 O3 S -","- C76 H40 Cl4 Mn4 N8 O12 S4 -","4","1","","Stenger-Smith, Jenny; Chakraborty, Indranil; Carrington, Samantha; Mascharak, Pradip","Synthesis and structures of photoactive manganese‒carbonyl complexes derived from 2-(pyridin-2-yl)-1,3-benzothiazole and 2-(quinolin-2-yl)-1,3-benzothiazole","Acta Crystallographica Section C","2017","73","4","","","10.1107/S2053229617004429","","","0.71073","MoKα","","0.0597","0.0383","","","0.0829","0.0932","","","","","","1.044","","","","has coordinates,has disorder,has Fobs","194472","2020-10-21","18:00:00",""
"2020757","8.2864","0.0008","17.0679","0.0016","13.9733","0.0014","90","","90.735","0.004","90","","1976.1","0.3","100","2","100","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","Chlorido(1,4,8,11-tetramethyl-1,4,8,11-tetraazacyclotetradecane-κ^4^<i>N</i>)cobalt(II) chloride dihydrate","","- C14 H36 Cl2 Co N4 O2 -","- C14 H36 Cl2 Co N4 O2 -","- C56 H144 Cl8 Co4 N16 O8 -","4","1","YP3138","Van Heuvelen, Katherine M.; Lee, Isabell; Arriola, Katherine; Griffin, Rilke; Ye, Christopher; Takase, Michael K.","Crystal structure and spectroscopic characterization of a cobalt(II) tetraazamacrocycle: completing a series of first-row transition-metal complexes","Acta Crystallographica Section C","2017","73","8","","","10.1107/S2053229617010397","","","0.71073","MoKα","","0.0498","0.0321","","","0.061","0.0655","","","","","","1.037","","","","has coordinates,has Fobs","198885","2020-10-21","18:00:00",""
"2020758","6.5592","0.0001","9.1328","0.0002","13.7163","0.0003","90","","93.9","0.002","90","","819.76","0.03","173","2","173.15","","","","","","","","","5","P 1 21 1","P 2yb","4","","Poly[[aqua-μ~3~-bis[(<i>R</i>)-mandelato]borato-lithium(I)] monohydrate]","","- C16 H14 B Li O7 -","- C16 H14 B Li O7 -","- C32 H28 B2 Li2 O14 -","2","1","FM3050","Wong, Lawrence W.-Y.; Kan, Jack W.-H.; Sung, Herman H.-Y.; Williams, Ian D.","Chiral bis(mandelato)borate salts for resolution <i>via</i> metathesis crystallization","Acta Crystallographica Section C","2017","73","8","","","10.1107/S2053229617009718","","","1.54178","CuKα","","0.0311","0.0304","","","0.0812","0.0819","","","","","","1.063","","","","has coordinates,has Fobs","198914","2020-10-21","18:00:00",""
"2020759","7.49015","0.00016","8.24219","0.00013","13.275","0.0003","90","","92.8753","0.0019","90","","818.5","0.03","173","0.1","173","0.1","","","","","","","","5","P 1 21 1","P 2yb","4","","Ammonium bis[(<i>R</i>)-mandelato]borate","","- C16 H16 B N O6 -","- C16 H16 B N O6 -","- C32 H32 B2 N2 O12 -","2","1","FM3050","Wong, Lawrence W.-Y.; Kan, Jack W.-H.; Sung, Herman H.-Y.; Williams, Ian D.","Chiral bis(mandelato)borate salts for resolution <i>via</i> metathesis crystallization","Acta Crystallographica Section C","2017","73","8","","","10.1107/S2053229617009718","","","1.54178","CuKα","","0.0277","0.0262","","","0.0644","0.0654","","","","","","1.041","","","","has coordinates,has Fobs","198914","2020-10-21","18:00:00",""
"2020760","9.0372","0.0006","15.5934","0.0006","44.5357","0.0011","90","","90","","90","","6276","0.5","173","2","173.15","","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","Tetra-<i>n</i>-butylammonium bis[(<i>R</i>)-mandelato]borate","","- C32 H48 B N O6 -","- C32 H48 B N O6 -","- C256 H384 B8 N8 O48 -","8","2","FM3050","Wong, Lawrence W.-Y.; Kan, Jack W.-H.; Sung, Herman H.-Y.; Williams, Ian D.","Chiral bis(mandelato)borate salts for resolution <i>via</i> metathesis crystallization","Acta Crystallographica Section C","2017","73","8","","","10.1107/S2053229617009718","","","1.54178","CuKα","","0.0385","0.0318","","","0.066","0.0676","","","","","","1.007","","","","has coordinates,has disorder,has Fobs","198914","2020-10-21","18:00:00",""
"2020761","9.0673","0.0012","10.1144","0.0014","11.7417","0.0014","69.013","0.005","77.791","0.005","81.901","0.005","980.2","0.2","296","2","296","2","","","","","","","","6","P -1","-P 1","2","","Bromidobis[<i>N</i>-(6-methylpyridin-2-yl-κ<i>N</i>)acetamide-κ<i>O</i>]copper(II) bromide","","- C16 H20 Br2 Cu N4 O2 -","- C16 H20 Br2 Cu N4 O2 -","- C32 H40 Br4 Cu2 N8 O4 -","2","1","KU3201","Smolentsev, Anton I.","Copper(II) bromide, nitrate and perchlorate complexes with sterically demanding <i>N</i>-(6-methylpyridin-2-yl)acetamide ligands","Acta Crystallographica Section C","2017","73","8","","","10.1107/S2053229617009949","","","0.71073","MoKα","","0.0462","0.034","","","0.0864","0.0908","","","","","","1.067","","","","has coordinates,has Fobs","199064","2020-10-21","18:00:00",""
"2020762","13.3089","0.0002","8.4494","0.0001","18.535","0.0003","90","","90","","90","","2084.3","0.05","296","2","296","2","","","","","","","","5","P b c n","-P 2n 2ab","60","","Aquabis[<i>N</i>-(6-methylpyridin-2-yl-κ<i>N</i>)acetamide-κ<i>O</i>]copper(II) dinitrate","","- C16 H22 Cu N6 O9 -","- C16 H22 Cu N6 O9 -","- C64 H88 Cu4 N24 O36 -","4","0.5","KU3201","Smolentsev, Anton I.","Copper(II) bromide, nitrate and perchlorate complexes with sterically demanding <i>N</i>-(6-methylpyridin-2-yl)acetamide ligands","Acta Crystallographica Section C","2017","73","8","","","10.1107/S2053229617009949","","","0.71073","MoKα","","0.0416","0.0356","","","0.109","0.1128","","","","","","1.109","","","","has coordinates,has Fobs","199064","2020-10-21","18:00:00",""
"2020763","18.7332","0.0004","8.2315","0.0002","15.7876","0.0003","90","","109.1","0.001","90","","2300.46","0.09","296","2","296","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","Aquabis[<i>N</i>-(6-methylpyridin-2-yl-κ<i>N</i>)acetamide-κ<i>O</i>]copper(II) bis(perchlorate)","","- C16 H22 Cl2 Cu N4 O11 -","- C16 H22 Cl2 Cu N4 O10.994 -","- C64 H88 Cl8 Cu4 N16 O43.976 -","4","0.5","KU3201","Smolentsev, Anton I.","Copper(II) bromide, nitrate and perchlorate complexes with sterically demanding <i>N</i>-(6-methylpyridin-2-yl)acetamide ligands","Acta Crystallographica Section C","2017","73","8","","","10.1107/S2053229617009949","","","0.71073","MoKα","","0.0447","0.0405","","","0.1224","0.1253","","","","","","1.074","","","","has coordinates,has disorder,has Fobs","199064","2020-10-21","18:00:00",""
"2020764","19.951","0.003","11.7885","0.0018","20.891","0.004","90","","105.625","0.003","90","","4731.8","1.4","100","2","100","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","L-9 (H2SO4)","Tris(4-carboxypyridinium) hydrogensulfate sulfate monohydrate","","- C18 H21 N3 O15 S2 -","- C18 H21 N3 O15 S2 -","- C144 H168 N24 O120 S16 -","8","1","YF3121","Truong, Khai-Nghi; Lothmann, Niklas; Englert, Ulli","A whole zoo of hydrogen bonds in one crystal structure: tris(isonicotinium) hydrogensulfate sulfate monohydrate","Acta Crystallographica Section C","2017","73","7","525","530","10.1107/S2053229617008269","","","0.71073","MoKα","","0.0622","0.0464","","","0.1071","0.1162","","","","","","1.033","","","","has coordinates,has Fobs","199065","2020-10-21","18:00:00",""
"2020765","7.1403","0.0004","8.6745","0.0006","11.573","0.0007","93.721","0.005","93.714","0.004","104.23","0.005","690.94","0.08","120","2","120","2","","","","","","","","5","P -1","-P 1","2","","2,6-Diamino-4-chloropyrimidinium 2-carboxy-3-nitrobenzoate","","- C12 H10 Cl N5 O6 -","- C12 H10 Cl N5 O6 -","- C24 H20 Cl2 N10 O12 -","2","1","KU3199","Mohana, Marimuthu; Thomas Muthiah, Packianathan; Butcher, Ray J.","Supramolecular interactions in carboxylate and sulfonate salts of 2,6-diamino-4-chloropyrimidinium","Acta Crystallographica Section C","2017","73","7","536","540","10.1107/S2053229617008798","","","0.71073","MoKα","","0.0746","0.0459","","","0.1062","0.1275","","","","","","1.082","","","","has coordinates,has Fobs","199066","2020-10-21","18:00:00",""
"2020766","6.54","0.0003","7.2557","0.0004","15.7696","0.0009","81.617","0.005","89.511","0.004","74.154","0.005","711.79","0.07","120","2","120","2","","","","","","","","6","P -1","-P 1","2","","2,6-Diamino-4-chloropyrimidinium <i>p</i>-toluenesulfonate","","- C11 H15 Cl N4 O4 S -","- C11 H15 Cl N4 O4 S -","- C22 H30 Cl2 N8 O8 S2 -","2","1","KU3199","Mohana, Marimuthu; Thomas Muthiah, Packianathan; Butcher, Ray J.","Supramolecular interactions in carboxylate and sulfonate salts of 2,6-diamino-4-chloropyrimidinium","Acta Crystallographica Section C","2017","73","7","536","540","10.1107/S2053229617008798","","","1.54184","CuKα","","0.0368","0.036","","","0.0995","0.1003","","","","","","1.089","","","","has coordinates,has disorder,has Fobs","199066","2020-10-21","18:00:00",""
"2020767","13.6345","0.0015","6.9015","0.0007","12.6905","0.0014","90","","105.429","0.004","90","","1151.1","0.2","100","2","100","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","5-Fluorouracil‒4-methylbenzoic acid (1/1)","","- C12 H11 F N2 O4 -","- C12 H11 F N2 O4 -","- C48 H44 F4 N8 O16 -","4","1","OV3081","Mohana, Marimuthu; Muthiah, Packianathan Thomas; McMillen, Colin D.","Supramolecular hydrogen-bonding patterns in 1:1 cocrystals of 5-fluorouracil with 4-methylbenzoic acid and 3-nitrobenzoic acid","Acta Crystallographica Section C","2017","73","3","259","263","10.1107/S2053229617001486","","","0.71073","MoKα","","0.078","0.0476","","","0.1078","0.1204","","","","","","1.047","","","","has coordinates,has Fobs","199067","2020-10-21","18:00:00",""
"2020768","5.9011","0.0012","9.795","0.002","11.674","0.002","110.76","0.03","91.84","0.03","99.59","0.03","619.1","0.3","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","5-Fluorouracil‒3-nitrobenzoic acid (1/1)","","- C11 H8 F N3 O6 -","- C11 H8 F N3 O6 -","- C22 H16 F2 N6 O12 -","2","1","","Mohana, Marimuthu; Muthiah, Packianathan Thomas; McMillen, Colin D.","Supramolecular hydrogen-bonding patterns in 1:1 cocrystals of 5-fluorouracil with 4-methylbenzoic acid and 3-nitrobenzoic acid","Acta Crystallographica Section C","2017","73","3","259","263","10.1107/S2053229617001486","","","0.71073","MoKα","","0.0756","0.0658","","","0.1813","0.2045","","","","","","1.038","","","","has coordinates,has Fobs","199067","2020-10-21","18:00:00",""
"2020769","8.386","0.0009","9.1422","0.0009","12.9405","0.0014","69.526","0.004","87.16","0.004","76.788","0.004","904.33","0.17","200","2","200","2","","","","","","","","5","P -1","-P 1","2","","Tris(ethylenediamine-κ^2^<i>N</i>,<i>N</i>')manganese(II) diacetate","","- C10 H30 Mn N6 O4 -","- C10 H30 Mn N6 O4 -","- C20 H60 Mn2 N12 O8 -","2","1","YP3135","Pham, Duyen N. K.; Roy, Mrittika; Golen, James A.; Manke, David R.","The first-row transition-metal series of tris(ethylenediamine) diacetate complexes [<i>M</i>(en)~3~](OAc)~2~ (<i>M</i> is Mn, Fe, Co, Ni, Cu, and Zn)","Acta Crystallographica Section C","2017","73","6","442","446","10.1107/S2053229617006738","","","0.71073","MoKα","","0.0269","0.0231","","","0.057","0.0596","","","","","","1.051","","","","has coordinates,has Fobs","199068","2020-10-21","18:00:00",""
"2020770","8.3426","0.0009","9.1332","0.001","12.8165","0.0014","70.423","0.005","86.074","0.004","75.628","0.005","891.19","0.17","200","2","200","2","","","","","","","","5","P -1","-P 1","2","","Tris(ethylenediamine-κ^2^<i>N</i>,<i>N</i>')iron(II) diacetate","","- C10 H30 Fe N6 O4 -","- C10 H30 Fe N6 O4 -","- C20 H60 Fe2 N12 O8 -","2","1","","Pham, Duyen N. K.; Roy, Mrittika; Golen, James A.; Manke, David R.","The first-row transition-metal series of tris(ethylenediamine) diacetate complexes [<i>M</i>(en)~3~](OAc)~2~ (<i>M</i> is Mn, Fe, Co, Ni, Cu, and Zn)","Acta Crystallographica Section C","2017","73","6","442","446","10.1107/S2053229617006738","","","1.54178","CuKα","","0.0365","0.0315","","","0.0767","0.0798","","","","","","1.037","","","","has coordinates,has Fobs","199068","2020-10-21","18:00:00",""
"2020771","8.3029","0.0008","9.1295","0.001","12.7175","0.0013","71.021","0.004","85.776","0.004","75.146","0.004","881.08","0.16","200","2","200","2","","","","","","","","5","P -1","-P 1","2","","Tris(ethylenediamine-κ^2^<i>N</i>,<i>N</i>')cobalt(II) diacetate","","- C10 H30 Co N6 O4 -","- C10 H30 Co N6 O4 -","- C20 H60 Co2 N12 O8 -","2","1","","Pham, Duyen N. K.; Roy, Mrittika; Golen, James A.; Manke, David R.","The first-row transition-metal series of tris(ethylenediamine) diacetate complexes [<i>M</i>(en)~3~](OAc)~2~ (<i>M</i> is Mn, Fe, Co, Ni, Cu, and Zn)","Acta Crystallographica Section C","2017","73","6","442","446","10.1107/S2053229617006738","","","0.71073","MoKα","","0.0284","0.0226","","","0.0531","0.0559","","","","","","1.08","","","","has coordinates,has Fobs","199068","2020-10-21","18:00:00",""
"2020772","8.2974","0.0011","9.0619","0.0011","12.5998","0.0017","71.96","0.004","85.204","0.005","74.321","0.004","867.3","0.2","200","2","200","2","","","","","","","","5","P -1","-P 1","2","","Tris(ethylenediamine-κ^2^<i>N</i>,<i>N</i>')nickel(II) diacetate","","- C10 H30 N6 Ni O4 -","- C10 H30 N6 Ni O4 -","- C20 H60 N12 Ni2 O8 -","2","1","","Pham, Duyen N. K.; Roy, Mrittika; Golen, James A.; Manke, David R.","The first-row transition-metal series of tris(ethylenediamine) diacetate complexes [<i>M</i>(en)~3~](OAc)~2~ (<i>M</i> is Mn, Fe, Co, Ni, Cu, and Zn)","Acta Crystallographica Section C","2017","73","6","442","446","10.1107/S2053229617006738","","","0.71073","MoKα","","0.0214","0.0194","","","0.0478","0.0491","","","","","","1.074","","","","has coordinates,has Fobs","199068","2020-10-21","18:00:00",""
"2020773","8.2953","0.0008","8.9144","0.0008","12.7148","0.0012","75.244","0.004","85.082","0.004","71.226","0.004","860.84","0.14","200","2","200","2","","","","","","","","5","P -1","-P 1","2","","Tris(ethylenediamine-κ^2^<i>N</i>,<i>N</i>')copper(II) diacetate","","- C10 H30 Cu N6 O4 -","- C10 H30 Cu N6 O4 -","- C20 H60 Cu2 N12 O8 -","2","1","","Pham, Duyen N. K.; Roy, Mrittika; Golen, James A.; Manke, David R.","The first-row transition-metal series of tris(ethylenediamine) diacetate complexes [<i>M</i>(en)~3~](OAc)~2~ (<i>M</i> is Mn, Fe, Co, Ni, Cu, and Zn)","Acta Crystallographica Section C","2017","73","6","442","446","10.1107/S2053229617006738","","","0.71073","MoKα","","0.0296","0.0245","","","0.0626","0.0653","","","","","","1.029","","","","has coordinates,has Fobs","199068","2020-10-21","18:00:00",""
"2020774","8.3223","0.0005","9.1059","0.0005","12.7492","0.0007","70.855","0.002","85.8","0.002","75.434","0.002","883.34","0.09","200","2","200","2","","","","","","","","5","P -1","-P 1","2","","Tris(ethylenediamine-κ^2^<i>N</i>,<i>N</i>')zinc(II) diacetate","","- C10 H30 N6 O4 Zn -","- C10 H30 N6 O4 Zn -","- C20 H60 N12 O8 Zn2 -","2","1","","Pham, Duyen N. K.; Roy, Mrittika; Golen, James A.; Manke, David R.","The first-row transition-metal series of tris(ethylenediamine) diacetate complexes [<i>M</i>(en)~3~](OAc)~2~ (<i>M</i> is Mn, Fe, Co, Ni, Cu, and Zn)","Acta Crystallographica Section C","2017","73","6","442","446","10.1107/S2053229617006738","","","0.71073","MoKα","","0.0217","0.0195","","","0.0502","0.0514","","","","","","1.084","","","","has coordinates,has Fobs","199068","2020-10-21","18:00:00",""
"2020775","9.2595","0.0004","10.2711","0.0003","16.0049","0.0005","96.056","0.003","92.679","0.003","115.714","0.004","1356.47","0.1","153","2","153","2","","","","","","","","5","P -1","-P 1","2","","<i>catena</i>-Poly[[bis(dimethylformamide-κ<i>O</i>)magnesium(II)]bis[μ-<i>N</i>-(3-carboxyphenyl)-<i>N</i>'-(3-carboxylatophenyl)naphthalene-1,8:4,5-tetracarboximide-κ^2^<i>O</i>:<i>O</i>']]","","- C62 H40 Mg N6 O18 -","- C62 H40 Mg N6 O18 -","- C62 H40 Mg N6 O18 -","1","0.5","YF3120","Liu, Jian-Jun; Liu, Teng; Huang, Chang-Cang","Synthesis and characterization of a photochromic magnesium(II) coordination polymer based on a naphthalene diimide ligand","Acta Crystallographica Section C","2017","73","6","437","441","10.1107/S2053229617006544","","","0.71073","MoKα","","0.0747","0.0495","","","0.1219","0.1325","","","","","","1.045","","","","has coordinates,has Fobs","199069","2020-10-21","18:00:00",""
"2020776","11.0638","0.0002","14.0258","0.0004","20.8917","0.0006","90","","101.59","0.001","90","","3175.84","0.14","298","2","298","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","Bis(μ-diphenyl phosphato-κ^2^<i>O</i>:<i>O</i>')bis({2-methoxy-<i>N</i>,<i>N</i>-bis[(pyridin-2-yl)methyl]aniline-κ^4^<i>N</i>,<i>N</i>',<i>N</i>'',<i>O</i>}cobalt(II)) bis(perchlorate)","","- C62 H58 Cl2 Co2 N6 O18 P2 -","- C62 H58 Cl2 Co2 N6 O18 P2 -","- C124 H116 Cl4 Co4 N12 O36 P4 -","2","0.5","KY3116","Anjana, S. S.; Varghese, Babu; Prasad, Edamana","Dinuclear cobalt(II) complexes with double phosphate ester bridges and tetradentate ligands having anisole or quinoline appendages","Acta Crystallographica Section C","2017","73","6","492","497","10.1107/S2053229617007355","","","0.71073","MoKα","","0.0631","0.0397","","","0.0938","0.1037","","","","","","1.038","","","","has coordinates,has disorder,has Fobs","199070","2020-10-21","18:00:00",""
"2020777","13.0021","0.0002","12.8075","0.0003","19.8373","0.0004","90","","93.008","0.001","90","","3298.84","0.11","296","2","296","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","Bis(μ-diphenyl phosphato-κ^2^<i>O</i>:<i>O</i>')bis({<i>N</i>,<i>N</i>-bis[(pyridin-2-yl)methyl]quinolin-8-amine-κ^4^<i>N</i>,<i>N</i>',<i>N</i>'',<i>O</i>}cobalt(II)) bis(perchlorate)","","- C66 H56 Cl2 Co2 N8 O16 P2 -","- C66 H56 Cl2 Co2 N8 O16 P2 -","- C132 H112 Cl4 Co4 N16 O32 P4 -","2","0.5","KY3116","Anjana, S. S.; Varghese, Babu; Prasad, Edamana","Dinuclear cobalt(II) complexes with double phosphate ester bridges and tetradentate ligands having anisole or quinoline appendages","Acta Crystallographica Section C","2017","73","6","492","497","10.1107/S2053229617007355","","","0.71073","MoKα","","0.0526","0.0414","","","0.1027","0.1092","","","","","","1.088","","","","has coordinates,has Fobs","199070","2020-10-21","18:00:00",""
"2020778","33.1506","0.0012","33.1506","0.0012","16.6829","0.0014","90","","90","","90","","18333.9","1.8","293","2","293.15","","","","","","","","","5","I 41/a","-I 4ad","88","","Poly[triaquadi-μ~3~-hydroxido-hexakis(μ~4~-2-methylbiphenyl-4,4'-dicarboxylato)calcium(II)hexazinc(II)]","","- C90 H68 Ca O29 Zn6 -","- C90 H68 Ca O29 Zn6 -","- C720 H544 Ca8 O232 Zn48 -","8","","FN3233","Guo, Pei-Ying; Ma, De-Yun; Guo, Hai-Fu","A twofold interpenetrating three-dimensional heterometallic metal‒organic framework with pcu topology based on 2-methylbiphenyl-4,4'-dicarboxylic acid","Acta Crystallographica Section C","2017","73","6","470","475","10.1107/S2053229617006829","","","0.71073","MoKα","","0.1093","0.0564","","","0.1343","0.1589","","","","","","1.011","","","","has coordinates,has disorder,has Fobs","199071","2020-10-21","18:00:00",""
"2020779","8.3665","0.0004","23.1277","0.0011","13.5984","0.0007","90","","98.221","0.001","90","","2604.2","0.2","100","2","100","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","<i>catena</i>-Poly[[silver(I)-(μ~2~-pyridine-2,3-dicarboxylato-κ^2^<i>N</i>:<i>O</i>^3^)-silver(I)-tris(μ~2~-5-methyl-1,3,4-thiodiazol-2-amine-κ^2^<i>N</i>:<i>N</i>')] monohydrate ethanol monosolvate]","","- C18 H26 Ag2 N10 O6 S3 -","- C16 H18 Ag2 N10 O4 S3 -","- C64 H72 Ag8 N40 O16 S12 -","4","1","LG3205","Fu, Wei-Wei; Li, Juan; Liu, Shu-Ting; Zhao, Dan; Zhou, Xue; Tong, Yang","A one-dimensional silver(I) coordination polymer based on 5-methyl-1,3,4-thiadiazol-2-amine and pyridine-2,3-dicarboxylate","Acta Crystallographica Section C","2017","73","6","498","502","10.1107/S2053229617007653","","","0.71073","MoKα","","0.0304","0.0269","","","0.0627","0.0646","","","","","","1.093","","","","has coordinates,has Fobs","199072","2020-10-21","18:00:00",""
"2020780","12.9134","0.0017","21.035","0.003","9.1946","0.0012","90","","93.696","0.002","90","","2492.4","0.6","293","2","293","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","<i>catena</i>-Poly[[aqua(2,2'-bipyridine-κ^2^<i>N</i>,<i>N</i>')(2,3,4,5,6-pentafluorobenzoato-κ<i>O</i>)cadmium(II)]-μ-2,3,4,5,6-pentafluorobenzoato-κ^2^<i>O</i>:<i>O</i>']","","- C24 H10 Cd F10 N2 O5 -","- C24 H10 Cd F10 N2 O5 -","- C96 H40 Cd4 F40 N8 O20 -","4","1","OV3088","Kong, Ya-Jie; Li, Peng; Han, Li-Juan; Fan, Lu-Tong; Li, Peng-Peng; Yin, Shuang","Two cadmium(II) fluorous coordination compounds tuned by different bipyridines","Acta Crystallographica Section C","2017","73","5","424","429","10.1107/S2053229617006003","","","0.71073","MoKα","","0.0438","0.0292","","","0.0695","0.0778","","","","","","1.024","","","","has coordinates,has Fobs","199073","2020-10-21","18:00:00",""
"2020781","21.402","0.005","11.711","0.002","10.955","0.002","90","","106.639","0.003","90","","2630.8","0.9","293","2","293","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","<i>catena</i>-Poly[[diaquabis(2,3,4,5,6-pentafluorobenzoato-κ<i>O</i>)cadmium(II)]-μ-4,4'-bipyridine-κ^2^<i>N</i>:<i>N</i>]","","- C24 H12 Cd F10 N2 O6 -","- C24 H12 Cd F10 N2 O6 -","- C96 H48 Cd4 F40 N8 O24 -","4","0.5","OV3088","Kong, Ya-Jie; Li, Peng; Han, Li-Juan; Fan, Lu-Tong; Li, Peng-Peng; Yin, Shuang","Two cadmium(II) fluorous coordination compounds tuned by different bipyridines","Acta Crystallographica Section C","2017","73","5","424","429","10.1107/S2053229617006003","","","0.71073","MoKα","","0.0305","0.0274","","","0.0747","0.0769","","","","","","1.006","","","","has coordinates,has Fobs","199073","2020-10-21","18:00:00",""
"2020782","15.7523","0.0008","7.1201","0.0003","15.954","0.0008","90","","112.709","0.004","90","","1650.65","0.15","296","","296","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","<i>catena</i>-poly[[[(<i>N</i>,<i>N</i>'-diethylethylenediamine-\ κ^2^<i>N</i>,<i>N</i>')copper(II)]-μ-succinato-\ κ^2^<i>O</i>^1^:<i>O</i>^4^] tetrahydrate]","","- C10 H28 Cu N2 O8 -","- C10 H28 Cu N2 O8 -","- C40 H112 Cu4 N8 O32 -","4","1","WQ3133","Şen, Fatih; Kansiz, Sevgi; Uçar, İbrahim","A one-dimensional copper(II) coordination polymer incorporating succinate and <i>N</i>,<i>N</i>-diethylethylenediamine ligands: crystallographic analysis, vibrational and surface features, and DFT analysis","Acta Crystallographica Section C","2017","73","7","517","524","10.1107/S2053229617008452","","","0.71073","MoKα","","0.0418","0.0295","","","0.0715","0.0749","","","","","","0.997","","","","has coordinates,has Fobs","199074","2020-10-21","18:00:00",""
"2020783","5.3048","0.0005","31.891","0.003","10.508","0.001","90","","98.184","0.003","90","","1759.6","0.3","120","","120","","","","","","","","","4","P 1 21 1","P 2yb","4","Naproxen‒picolinamide (1/1)","(<i>S</i>)-2-(6-Methoxynaphthalen-2-yl)propanoic acid‒\ pyridine-2-carboxamide (1/1)","","- C20 H20 N2 O4 -","- C20 H20 N2 O4 -","- C80 H80 N8 O16 -","4","2","DF3001","Kerr, Hannah E.; Softley, Lorna K.; Suresh, Kuthuru; Hodgkinson, Paul; Evans, Ivana Radosavljevic","Structure and physicochemical characterization of a naproxen‒picolinamide cocrystal","Acta Crystallographica Section C","2017","73","3","168","175","10.1107/S2053229616011980","","","0.71073","MoKα","","0.1145","0.0575","","0.1025","0.082","0.082","","","","","","0.9443","","","","has coordinates,has Fobs","199075","2020-10-21","18:00:00",""
"2020784","7.1707","0.0002","22.8006","0.0006","13.8237","0.0004","90","","97.047","0.003","90","","2243.05","0.11","100","","100","","","","","","","","","5","P 1 21/n 1","-P 2yn","14","Dithianon‒pyrimethanil (1/1)","5,10-Dioxo-5<i>H</i>,10<i>H</i>-naphtho[2,3-<i>b</i>][1,4]dithiine-2,3-dicarbonitrile‒4,6-dimethyl-<i>N</i>-phenylpyrimidin-2-amine (1/1)","","- C26 H17 N5 O2 S2 -","- C26 H17 N5 O2 S2 -","- C104 H68 N20 O8 S8 -","4","1","DF3006","Pöppler, Ann-Christin; Corlett, Emily K.; Pearce, Harriet; Seymour, Mark P.; Reid, Matthew; Montgomery, Mark G.; Brown, Steven P.","Single-crystal X-ray diffraction and NMR crystallography of a 1:1 cocrystal of dithianon and pyrimethanil","Acta Crystallographica Section C","2017","73","3","149","156","10.1107/S2053229617000870","","","1.54184","CuKα","","0.0527","0.0449","","0.0935","0.0851","0.0935","","","","","","0.9756","","","","has coordinates,has Fobs","199076","2020-10-21","18:00:00",""
"2020785","19.513","0.003","19.513","0.003","17.613","0.004","90","","90","","90","","6706","2","294","2","294","2","","","","","","","","5","I 41/a","-I 4ad","88","Lamotriginium crotonate","3,5-Diamino-6-(2,3-dichlorophenyl)-1,2,4-triazin-2-ium but-2-enoate","","- C13 H13 Cl2 N5 O2 -","- C13 H13 Cl2 N5 O2 -","- C208 H208 Cl32 N80 O32 -","16","","","Freire, Eleonora; Echeverría, Gustavo A.; Baggio, Ricardo","Lamotriginium crotonate and lamotriginium salicylate ethanol monosolvate: the role of solvent molecules in the packing organization","Acta Crystallographica Section C","2017","73","7","563","568","10.1107/S2053229617009111","","","0.71073","MoKα","","0.1072","0.0566","","","0.1477","0.1848","","","","","","0.966","","","","has coordinates,has disorder,has Fobs","199077","2020-10-21","18:00:00",""
"2020786","7.9389","0.0004","12.2938","0.0009","12.3282","0.0008","61.781","0.007","79.379","0.005","72.313","0.005","1008.91","0.13","294","2","294","2","","","","","","","","5","P -1","-P 1","2","Lamotriginium salicylate","3,5-Diamino-6-(2,3-dichlorophenyl)-1,2,4-triazin-2-ium 2-hydroxybenzoate ethanol monosolvate","","- C18 H19 Cl2 N5 O4 -","- C18 H19 Cl2 N5 O4 -","- C36 H38 Cl4 N10 O8 -","2","1","","Freire, Eleonora; Echeverría, Gustavo A.; Baggio, Ricardo","Lamotriginium crotonate and lamotriginium salicylate ethanol monosolvate: the role of solvent molecules in the packing organization","Acta Crystallographica Section C","2017","73","7","563","568","10.1107/S2053229617009111","","","0.71073","MoKα","","0.089","0.0561","","","0.1363","0.1678","","","","","","1.049","","","","has coordinates,has Fobs","199077","2020-10-21","18:00:00",""
"2020787","10.5376","0.0006","21.5025","0.0014","19.9462","0.0019","90","","99.079","0.007","90","","4462.9","0.6","273","2","273","","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","[9,9-Dimethyl-4,5-bis(diphenylphosphanyl)-9<i>H</i>-xanthene-κ^2^<i>P</i>,<i>P</i>](2-methylquinolin-8-ol-κ^2^<i>N</i>,<i>O</i>)copper(I) hexafluorophosphate","","- C49 H41 Cu F6 N O2 P3 -","- C49 H41 Cu F6 N O2 P3 -","- C196 H164 Cu4 F24 N4 O8 P12 -","4","1","OV3091","Shou, Rong-Er; Song, Li; Chai, Wen-Xiang; Qin, Lai-Shun; Wang, Tian-Gen","A new phosphorescent heteroleptic cuprous complex with a neutral 2-methylquinolin-8-ol ligand: synthesis, structure characterization, properties and TD‒DFT calculations","Acta Crystallographica Section C","2017","73","6","486","491","10.1107/S2053229617007549","","","0.71073","MoKα","","0.1171","0.0643","","","0.1571","0.1983","","","","","","1.021","","","","has coordinates,has Fobs","199078","2020-10-21","18:00:00",""
"2020788","16.2592","0.0003","14.2078","0.0003","9.256","0.0002","90","","92.527","0.001","90","","2136.13","0.08","100","2","99.95","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","Bis{μ~3~-3-[(4-methoxy-2-oxidobenzylidene)amino]propanolato}bis{μ~2~-3-[(4-methoxy-2-oxidobenzylidene)amino]propanolato}tetracopper(II)","","- C44 H52 Cu4 N4 O12 -","- C44 H52 Cu4 N4 O12 -","- C88 H104 Cu8 N8 O24 -","2","0.5","LF3047","Gungor, Elif","A new stepped tetranuclear copper(II) complex: synthesis, crystal structure and photoluminescence properties","Acta Crystallographica Section C","2017","73","5","393","398","10.1107/S2053229617004946","","","0.71073","MoKα","","0.0864","0.051","","","0.112","0.1225","","","","","","1.206","","","","has coordinates,has disorder,has Fobs","199079","2020-10-21","18:00:00",""
"2020789","13.304","0.0011","5.1796","0.0004","19.6396","0.0018","90","","95.143","0.001","90","","1347.9","0.2","298","2","298","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","(<i>Z</i>)-2-(2-Phenylhydrazinylidene)acenaphthen-1(2<i>H</i>)-one","","- C18 H12 N2 O -","- C18 H12 N2 O -","- C72 H48 N8 O4 -","4","1","WQ3126","Su, Yan-Xiao; Zhang, Chao-Zhi; Song, Ming-Xia","Optical properties of (<i>Z</i>)-2-(2-phenylhydrazinylidene)acenaphthen-1(2<i>H</i>)-one: a potential electron donor in organic solar cells","Acta Crystallographica Section C","2017","73","6","458","463","10.1107/S205322961700691X","","","0.71073","MoKα","","0.1373","0.0571","","","0.082","0.0937","","","","","","1.071","","","","has coordinates,has Fobs","199080","2020-10-21","18:00:00",""
"2020790","14.095","0.003","14.095","0.003","14.095","0.003","90","","90","","90","","2800.2","1","173","2","173","2","","","","","","","","5","P a -3","-P 2ac 2ab 3","205","","Triguanidinium hexafluoridovanadate(III)","","- C3 H18 F6 N9 V -","- C3 H18 F6 N9 V -","- C24 H144 F48 N72 V8 -","8","0.333333","YF3116","Black, Cameron; Lightfoot, Philip","Crystal structure of guanidinium hexafluoridovanadate(III), (CN~3~H~6~)~3~[VF~6~]: an unusual hybrid compound related to perovskite","Acta Crystallographica Section C","2017","73","3","244","246","10.1107/S2053229617001711","","","0.71075","MoKα","","0.0575","0.0455","","","0.1372","0.1607","","","","","","1.319","","","","has coordinates,has Fobs","199081","2020-10-21","18:00:00",""
"2020791","13.1813","0.0007","7.2661","0.0004","15.6283","0.0008","90","","96.933","0.003","90","","1485.88","0.14","298","2","298","2","","","","","","","","5","P 1 2/c 1","-P 2yc","13","2,2'-(Disulfanediylbis{5-[(1<i>E</i>)-(2-hydroxybenzylidene)amino]-1,3-thiazole-4,2-diyl})diphenol","2-[5-[(<i>E</i>)-(2-Hydroxybenzylidene)amino]-4-(2-{5-[(<i>E</i>)-(2-hydroxybenzylidene)amino]-2-(2-hydroxyphenyl)-1,3-thiazol-4-yl}disulfanyl)-1,3-thiazol-2-yl]phenol","","- C32 H22 N4 O4 S4 -","- C32 H22 N4 O4 S4 -","- C64 H44 N8 O8 S8 -","2","0.5","UK3134","Zarei, Seyed Amir; Piltan, Mohammad; Mashhun, Asmar; Rudbari, Hadi Amiri; Bruno, Giuseppe","2,2'-[(Disulfanediyl)bis{5-[(1<i>E</i>)-(2-hydroxybenzylidene)amino]-1,3-thiazole-4,2-diyl}]diphenol: synthesis, crystal structure and calculation of molecular hyperpolarizability","Acta Crystallographica Section C","2017","73","8","","","10.1107/S2053229617008257","","","0.71073","MoKα","","0.0641","0.0413","","","0.1116","0.1296","","","","","","1.041","","","","has coordinates,has Fobs","199082","2020-10-21","18:00:00",""
"2020792","7.0975","0.0004","7.9093","0.0004","16.9976","0.001","86.16","0.002","83.141","0.002","66.564","0.002","869","0.08","100","0.2","100","0.2","","","","","","","","6","P -1","-P 1","2","3-[(2,2,3,3-Tetrafluoropropoxy)methyl]pyridinium saccharinate","3-[(2,2,3,3-Tetrafluoropropoxy)methyl]pyridinium 1,1-dioxo-1λ^6^,2-benzothiazol-3-olate","","- C16 H14 F4 N2 O4 S -","- C16 H14 F4 N2 O4 S -","- C32 H28 F8 N4 O8 S2 -","2","1","CU3113","Lu, Norman; Chiang, Hsing-Fang; Wei, Rong-Jyun; Wen, Yuh-Sheng; Liu, Ling-Kang","Molecular structures of 3-[(2,2,3,3-tetrafluoropropoxy)methyl]- and 3-[(2,2,3,3,3-pentafluoropropoxy)methyl]pyridinium saccharinates","Acta Crystallographica Section C","2017","73","8","","","10.1107/S2053229617009512","","","0.71073","MoKα","","0.0352","0.0303","","","0.0772","0.0807","","","","","","1.021","","","","has coordinates,has Fobs","199083","2020-10-21","18:00:00",""
"2020793","21.6747","0.0006","21.6747","0.0006","7.285","0.0003","90","","90","","90","","3422.44","0.19","100","0.2","100","0.2","","","","","","","","6","I -4","I -4","82","3-[(2,2,3,3,3-Pentafluoropropoxy)methyl]pyridinium saccharinate","3-[(2,2,3,3,3-Pentafluoropropoxy)methyl]pyridinium 1,1-dioxo-1λ^6^,2-benzothiazol-3-olate","","- C16 H13 F5 N2 O4 S -","- C16 H13 F5 N2 O4 S -","- C128 H104 F40 N16 O32 S8 -","8","1","","Lu, Norman; Chiang, Hsing-Fang; Wei, Rong-Jyun; Wen, Yuh-Sheng; Liu, Ling-Kang","Molecular structures of 3-[(2,2,3,3-tetrafluoropropoxy)methyl]- and 3-[(2,2,3,3,3-pentafluoropropoxy)methyl]pyridinium saccharinates","Acta Crystallographica Section C","2017","73","8","","","10.1107/S2053229617009512","","","0.71073","MoKα","","0.0255","0.0239","","","0.0577","0.0633","","","","","","1.088","","","","has coordinates,has Fobs","199083","2020-10-21","18:00:00",""
"2020794","5.0591","0.0003","16.7533","0.0009","23.5587","0.0013","90","","90","","90","","1996.76","0.19","100","2","100","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","Di-<i>L</i>-phenylalanine tetrahydrofuran monosolvate","2-(2-Azaniumyl-3-phenylpropanamido)-3-phenylpropanoate tetrahydrofuran monosolvate","","- C22 H28 N2 O4 -","- C22 H28 N2 O4 -","- C88 H112 N8 O16 -","4","1","KU3197","Georgilis, Evangelos; Gessmann, Renate; Mitraki, Anna; Petratos, Kyriacos","Diphenylalanine in tetrahydrofuran: a highly potent candidate for the development of novel nanomaterials","Acta Crystallographica Section C","2017","73","6","447","450","10.1107/S2053229617006830","","","1.54178","CuKα","","0.0435","0.0404","","","0.1101","0.1323","","","","","","1.089","","","","has coordinates,has Fobs","199084","2020-10-21","18:00:00",""
"2020795","5.0827","0.0003","16.7903","0.0009","24.0532","0.0012","90","","90","","90","","2052.7","0.19","299","2","299","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","Di-<i>L</i>-phenylalanine tetrahydrofuran monosolvate","2-(2-Azaniumyl-3-phenylpropanamido)-3-phenylpropanoate tetrahydrofuran monosolvate","","- C22 H28 N2 O4 -","- C22 H28 N2 O4 -","- C88 H112 N8 O16 -","4","1","","Georgilis, Evangelos; Gessmann, Renate; Mitraki, Anna; Petratos, Kyriacos","Diphenylalanine in tetrahydrofuran: a highly potent candidate for the development of novel nanomaterials","Acta Crystallographica Section C","2017","73","6","447","450","10.1107/S2053229617006830","","","1.54178","CuKα","","0.0718","0.0665","","","0.1837","0.189","","","","","","1.052","","","","has coordinates,has Fobs","199084","2020-10-21","18:00:00",""
"2020796","8.1493","0.0004","8.5209","0.0005","34.4887","0.0014","90","","96.648","0.004","90","","2378.8","0.2","298","2","298","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","3-({(<i>E</i>)-[(<i>E</i>)-1-(Biphenyl-4-yl)ethylidene]hydrazinylidene}methyl)-1<i>H</i>-indole acetonitrile disolvate","","- C27 H25 N5 -","- C27 H25 N5 -","- C108 H100 N20 -","4","1","FN3235","Bu, Fan-Zhi; Tan, Xue-Jie; Xing, Dian-Xiang; Wang, Chao","Design, synthesis, crystal structure and <i>in vitro</i> cytotoxic properties of a novel Schiff base derived from indole and biphenyl","Acta Crystallographica Section C","2017","73","7","546","555","10.1107/S2053229617009044","","","0.71073","MoKα","","0.1066","0.0528","","","0.1271","0.1548","","","","","","1.021","","","","has coordinates,has Fobs","211179","2020-10-21","18:00:00",""
"2020797","9.3324","0.0005","10.754","0.0007","12.2892","0.0007","90","","111.349","0.002","90","","1148.72","0.12","100","2","100","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","Di-μ-chlorido-bis[(η^8^-cyclooctatetraene)(tetrahydrofuran-κ<i>O</i>)scandium(III)]","","- C24 H32 Cl2 O2 Sc2 -","- C24 H32 Cl2 O2 Sc2 -","- C48 H64 Cl4 O4 Sc4 -","2","0.5","YP3133","Zhou, Zheng; Greenough, Joshua; Wei, Zheng; Petrukhina, Marina A.","The dinuclear scandium(III) cyclooctatetraenyl chloride complex di-μ-chlorido-bis[(η^8^-cyclooctatetraene)(tetrahydrofuran-κ<i>O</i>)scandium(III)]","Acta Crystallographica Section C","2017","73","5","420","423","10.1107/S2053229617005678","","","0.71073","MoKα","","0.0798","0.047","","","0.0733","0.0808","","","","","","1.041","","","","has coordinates,has Fobs","199086","2020-10-21","18:00:00",""
"2020798","8.4269","0.0006","12.4905","0.0008","15.1415","0.001","66.53","0.001","76.005","0.001","85.473","0.001","1418.22","0.17","294","2","294","2","","","","","","","","4","P -1","-P 1","2","","Methyl 3a-acetyl-3-(4-bromophenyl)-4-oxo-1-phenyl-3,3a,4,9b-tetrahydro-1<i>H</i>-furo[3,4-<i>c</i>]chromene-1-carboxylate benzene monosolvate","","- C33 H27 Br O6 -","- C33 H27 Br O6 -","- C66 H54 Br2 O12 -","2","1","LG3203","Sridhar, Balasubramanian; Nanubolu, Jagadeesh Babu; Ravikumar, Krishnan; Karthik, Govindaraju; Reddy, Basi Venkata Subba","Three isostructural solvates of a tetrahydrofurochromenone derivative","Acta Crystallographica Section C","2017","73","5","407","413","10.1107/S2053229617005940","","","0.71073","MoKα","","0.0437","0.0337","","","0.0896","0.0956","","","","","","1.066","","","","has coordinates,has disorder,has Fobs","199089","2020-10-21","18:00:00",""
"2020799","8.3989","0.0005","12.5415","0.0007","15.2195","0.0008","67.408","0.001","76.135","0.001","85.458","0.001","1436.85","0.14","294","2","294","2","","","","","","","","4","P -1","-P 1","2","","Methyl 3a-acetyl-3-(4-bromophenyl)-4-oxo-1-phenyl-3,3a,4,9b-tetrahydro-1<i>H</i>-furo[3,4-<i>c</i>]chromene-1-carboxylate toluene monosolvate","","- C34 H29 Br O6 -","- C34 H29 Br O6 -","- C68 H58 Br2 O12 -","2","1","LG3203","Sridhar, Balasubramanian; Nanubolu, Jagadeesh Babu; Ravikumar, Krishnan; Karthik, Govindaraju; Reddy, Basi Venkata Subba","Three isostructural solvates of a tetrahydrofurochromenone derivative","Acta Crystallographica Section C","2017","73","5","407","413","10.1107/S2053229617005940","","","0.71073","MoKα","","0.0452","0.0373","","","0.1034","0.1096","","","","","","1.048","","","","has coordinates,has disorder,has Fobs","199089","2020-10-21","18:00:00",""
"2020800","8.2587","0.0006","12.7841","0.0009","15.6238","0.0011","66.446","0.001","76.634","0.001","86.03","0.001","1470.67","0.18","294","2","294","2","","","","","","","","4","P -1","-P 1","2","","Methyl 3a-acetyl-3-(4-bromophenyl)-4-oxo-1-phenyl-3,3a,4,9b-tetrahydro-1<i>H</i>-furo[3,4-<i>c</i>]chromene-1-carboxylate xylene monosolvate","","- C35 H31 Br O6 -","- C35 H31 Br O6 -","- C70 H62 Br2 O12 -","2","1","LG3203","Sridhar, Balasubramanian; Nanubolu, Jagadeesh Babu; Ravikumar, Krishnan; Karthik, Govindaraju; Reddy, Basi Venkata Subba","Three isostructural solvates of a tetrahydrofurochromenone derivative","Acta Crystallographica Section C","2017","73","5","407","413","10.1107/S2053229617005940","","","0.71073","MoKα","","0.0594","0.0417","","","0.1048","0.1129","","","","","","1.143","","","","has coordinates,has Fobs","199089","2020-10-21","18:00:00",""
"2020801","6.997","0.002","7.185","0.003","11.043","0.003","106.356","0.012","93.891","0.01","115.13","0.016","470.9","0.3","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","<i>catena</i>-Poly[[[tetraaquamanganese(II)]-μ-2,2'-oxydiacetato-[dioxidouranium(VI)]-μ-2,2'-oxydiacetato] dihydrate]","","- C8 H20 Mn O18 U -","- C8 H20 Mn O18 U -","- C8 H20 Mn O18 U -","1","0.5","FN3236","Ridenour, J. August; Pyrch, Mikaela M.; Manning, Zachery J.; Bertke, Jeffery A.; Cahill, Christopher L.","Two novel bimetallic transition metal‒uranyl one-dimensional coordination polymers with manganese(II) and cobalt(II) incorporating bridging diglycolate (2,2′-oxydiacetate) ligands","Acta Crystallographica Section C Structural Chemistry","2017","73","8","","","10.1107/S2053229617009263","","","0.71073","MoKα","","0.0114","0.0114","","","0.0282","0.0282","","","","","","1.133","","","","has coordinates,has Fobs","199090","2020-10-21","18:00:00",""
"2020802","6.997","0.002","7.185","0.003","11.043","0.003","106.356","0.012","93.891","0.01","115.13","0.016","470.9","0.3","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","<i>catena</i>-Poly[[[tetraaquacobalt(II)]-μ-2,2'-oxydiacetato-[dioxidouranium(VI)]-μ-2,2'-oxydiacetato] dihydrate]","","- C8 H20 Co O18 U -","- C8 H20 Co O18 U -","- C8 H20 Co O18 U -","1","0.5","","Ridenour, J. August; Pyrch, Mikaela M.; Manning, Zachery J.; Bertke, Jeffery A.; Cahill, Christopher L.","Two novel bimetallic transition metal‒uranyl one-dimensional coordination polymers with manganese(II) and cobalt(II) incorporating bridging diglycolate (2,2′-oxydiacetate) ligands","Acta Crystallographica Section C Structural Chemistry","2017","73","8","","","10.1107/S2053229617009263","","","0.71073","MoKα","","0.017","0.017","","","0.0399","0.0399","","","","","","1.267","","","","has coordinates","199090","2020-10-21","18:00:00",""
"2020803","9.1605","0.0003","13.8069","0.0005","16.8625","0.0007","90","","90","","90","","2132.74","0.14","295","2","295","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","(1<i>S</i>,4<i>S</i>,5<i>S</i>,6<i>R</i>,7<i>R</i>,8<i>R</i>,9<i>R</i>,10<i>S</i>)-6-Acetoxy-4,9,10-trihydroxy-2,2,5a,9-tetramethyloctahydro-2<i>H</i>-3,9a-methanobenzo[<i>b</i>]oxepin-5-yl furan-3-carboxylate","","- C22 H30 O9 -","- C22 H30 O9 -","- C88 H120 O36 -","4","1","FN3234","Paz, Cristian; von Dossow, Daniela; Tiznado, Victor; Suarez, Sebastián; Cukiernik, Fabio D.; Baggio, Ricardo","A dihydro-β-agarofuran sesquiterpene from <i>Maytenus boaria</i>","Acta Crystallographica Section C","2017","73","6","451","457","10.1107/S2053229617006817","","","1.54178","CuKα","","0.0638","0.0605","","","0.1572","0.1648","","","","","","1.027","","","","has coordinates,has disorder,has Fobs","199091","2020-10-21","18:00:00",""
"2020804","12.671","0.002","6.61","0.001","10.2706","0.0002","90","","106.64","0.01","90","","824.19","0.19","150","2","150","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","Disodium magnesium bis(selenate) decahydrate","","- H20 Mg Na2 O18 Se2 -","- H20 Mg Na2 O18 Se2 -","- H40 Mg2 Na4 O36 Se4 -","2","0.5","KU3198","Kamburov, Stoyan; Schmidt, Horst; Voigt, Wolfgang; Balarew, Christo","Crystal structures of sodium magnesium selenate decahydrate, Na~2~Mg(SeO~4~)~2~·10H~2~O, a new selenate salt, and sodium magnesium selenate dihydrate, Na~2~Mg(SeO~4~)~2~·2H~2~O","Acta Crystallographica Section C","2017","73","7","582","587","10.1107/S2053229617009330","","","0.71073","MoKα","","0.0263","0.0199","","","0.0434","0.0464","","","","","","1.011","","","","has coordinates,has Fobs","199092","2020-10-21","18:00:00",""
"2020805","5.556","0.004","5.923","0.004","7.224","0.005","108.36","0.06","99.07","0.05","106.63","0.06","208","0.3","200","2","200","","","","","","","","","5","P -1","-P 1","2","","Disodium magnesium bis(selenate) dihydrate","","- H4 Mg Na2 O10 Se2 -","- H4 Mg Na2 O10 Se2 -","- H4 Mg Na2 O10 Se2 -","1","0.5","KU3198","Kamburov, Stoyan; Schmidt, Horst; Voigt, Wolfgang; Balarew, Christo","Crystal structures of sodium magnesium selenate decahydrate, Na~2~Mg(SeO~4~)~2~·10H~2~O, a new selenate salt, and sodium magnesium selenate dihydrate, Na~2~Mg(SeO~4~)~2~·2H~2~O","Acta Crystallographica Section C","2017","73","7","582","587","10.1107/S2053229617009330","","","0.71073","MoKα","","0.039","0.0321","","","0.0806","0.0844","","","","","","1.269","","","","has coordinates,has Fobs","199092","2020-10-21","18:00:00",""
"2020806","9.9801","0.0004","18.854","0.0008","26.1414","0.0011","90","","90","","90","","4918.9","0.4","173","2","173","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","<i>rac</i>-<i>N</i>-[(1<i>S</i>,2<i>R</i>,3<i>S</i>)-2-Methyl-3-(5-methylfuran-2-yl)-1-phenyl-3-(pivalamido)propyl]benzamide","","- C27 H32 N2 O3 -","- C27 H32 N2 O3 -","- C216 H256 N16 O24 -","8","2","SK3660","Kramer, Philipp; Bolte, Michael","Synthesis and crystal structures of two structurally related kryptoracemates","Acta Crystallographica Section C","2017","73","7","575","581","10.1107/S2053229617009408","","","0.71073","MoKα","","0.0813","0.0578","","","0.1254","0.1345","","","","","","0.984","","","","has coordinates,has Fobs","199093","2020-10-21","18:00:00",""
"2020807","10.1501","0.0011","14.8556","0.0015","17.662","0.002","109.248","0.008","97.929","0.009","91.214","0.008","2483.9","0.5","173","2","173","2","","","","","","","","5","P 1","P 1","1","","<i>rac</i>-<i>N</i>-[(1<i>S</i>,2<i>S</i>,3<i>R</i>)-2-Methyl-3-(5-methylfuran-2-yl)-1-phenyl-3-(propionamido)propyl]benzamide dichloromethane hemisolvate","","- C25.5 H29 Cl N2 O3 -","- C25.5 H29 Cl N2 O3 -","- C102 H116 Cl4 N8 O12 -","4","4","SK3660","Kramer, Philipp; Bolte, Michael","Synthesis and crystal structures of two structurally related kryptoracemates","Acta Crystallographica Section C","2017","73","7","575","581","10.1107/S2053229617009408","","","0.71073","MoKα","","0.1084","0.0789","","","0.1815","0.1952","","","","","","1.063","","","","has coordinates,has Fobs","199093","2020-10-21","18:00:00",""
"2020808","6.8884","0.0004","9.5036","0.0006","9.618","0.0006","73.608","0.002","87.634","0.002","69.969","0.002","566.43","0.06","100","2","100","2","","","","","","","","7","P -1","-P 1","2","5-Fluorouracil‒5-bromothiophene-2-carboxylic acid (1/1)","5-Fluoro-1,3-dihydropyrimidine-2,4-dione‒5-bromothiophene-2-carboxylic acid (1/1)","","- C9 H6 Br F N2 O4 S -","- C9 H6 Br F N2 O4 S -","- C18 H12 Br2 F2 N4 O8 S2 -","2","1","OV3090","Mohana, Marimuthu; Thomas Muthiah, Packianathan; McMillen, Colin D.","Supramolecular architectures in two 1:1 cocrystals of 5-fluorouracil with 5-bromothiophene-2-carboxylic acid and thiophene-2-carboxylic acid","Acta Crystallographica Section C","2017","73","6","481","485","10.1107/S2053229617007550","","","0.71073","MoKα","","0.021","0.0191","","","0.0497","0.0508","","","","","","1.061","","","","has coordinates,has Fobs","199094","2020-10-21","18:00:00",""
"2020809","6.8304","0.0003","7.0075","0.0004","12.3042","0.0006","93.348","0.002","103.091","0.001","115.566","0.001","509.22","0.04","100","2","100","2","","","","","","","","6","P -1","-P 1","2","5-Fluorouracil-thiophene-2-carboxylic acid (1/1)","5-Fluoro-1,3-dihydropyrimidine-2,4-dione‒thiophene-2-carboxylic acid (1/1)","","- C9 H7 F N2 O4 S -","- C9 H7 F N2 O4 S -","- C18 H14 F2 N4 O8 S2 -","2","1","OV3090","Mohana, Marimuthu; Thomas Muthiah, Packianathan; McMillen, Colin D.","Supramolecular architectures in two 1:1 cocrystals of 5-fluorouracil with 5-bromothiophene-2-carboxylic acid and thiophene-2-carboxylic acid","Acta Crystallographica Section C","2017","73","6","481","485","10.1107/S2053229617007550","","","0.71073","MoKα","","0.0305","0.0281","","","0.0736","0.0753","","","","","","1.055","","","","has coordinates,has disorder,has Fobs","199094","2020-10-21","18:00:00",""
"2020810","10.242","0.001","11.807","0.0011","22.297","0.002","80.453","0.002","84.916","0.002","64.733","0.001","2404.1","0.4","125","2","125","2","","","","","","","","6","P -1","-P 1","2","","(1α,2β,4β,5α,16α,17β,19β,20α)-1,5,16,20-Tetrachloro-31,31,32,32-tetramethoxy-11,26-bis[5-(thiophen-2-yl)thiophen-2-yl]-7,14,22,29-tetraazanonacyclo[18.10.1.1^5,16^.0^2,19^.0^4,17^.0^6,15^.0^8,13^.0^21,30^.0^23,28^]dotriaconta-6(15),7,9,11,13,21(30),22,24,26,28-decaene chloroform monosolvate","","- C49 H37 Cl7 N4 O4 S4 -","- C49 H37 Cl7 N4 O4 S4 -","- C98 H74 Cl14 N8 O8 S8 -","2","1","FN3230","Wickham, Laura M.; Tanski, Joseph M.; Nadeau, Jocelyn M.","Crystal structure of a fluorescent C-shaped molecule containing closely stacked bithiophene-substituted quinoxaline rings","Acta Crystallographica Section C","2017","73","3","276","279","10.1107/S2053229617001991","","","0.71073","MoKα","","0.0527","0.0399","","","0.0959","0.1038","","","","","","1.02","","","","has coordinates,has disorder,has Fobs","199095","2020-10-21","18:00:00",""
"2020811","9.54931","0.00015","16.1513","0.0002","14.5715","0.0002","90","","91.2561","0.0013","90","","2246.88","0.05","100.01","0.1","100.01","0.1","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","Poly[[[μ~2~-4-amino-3,5-bis(4,3'-bipyridyl-5'-yl)-4<i>H</i>-1,2,4-triazole-κ^2^<i>N</i>:<i>N</i>']bis(methanol-κ<i>O</i>)cobalt(II)] bis(perchlorate)]","","- C46 H40 Cl2 Co N16 O10 -","- C46 H40 Cl2 Co N16 O10 -","- C92 H80 Cl4 Co2 N32 O20 -","2","0.5","SK3647","Wang, Xue-Ru; Ma, Jian-Ping; Dong, Yu-Bin","Syntheses and structures of two new coordination polymers generated from a 4-aminotriazole-bridged organic ligand and Co^II^ salts","Acta Crystallographica Section C","2017","73","3","247","253","10.1107/S2053229617001437","","","0.71073","MoKα","","0.0456","0.0396","","","0.0931","0.0977","","","","","","1.04","","","","has coordinates,has Fobs","199096","2020-10-21","18:00:00",""
"2020812","20.4923","0.0005","7.4278","0.0003","13.9819","0.0004","90","","94.891","0.002","90","","2120.47","0.12","100.6","0.1","100.6","0.1","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","Poly[[μ~3~-4-amino-3,5-bis(4,3'-bipyridyl-5'-yl)-4<i>H</i>-1,2,4-triazole-κ^3^<i>N</i>:<i>N</i>':<i>N</i>'']dichloridocobalt(II)]","","- C22 H16 Cl2 Co N8 -","- C22 H16 Cl2 Co N8 -","- C88 H64 Cl8 Co4 N32 -","4","1","SK3647","Wang, Xue-Ru; Ma, Jian-Ping; Dong, Yu-Bin","Syntheses and structures of two new coordination polymers generated from a 4-aminotriazole-bridged organic ligand and Co^II^ salts","Acta Crystallographica Section C","2017","73","3","247","253","10.1107/S2053229617001437","","","1.54184","CuKα","","0.0532","0.0393","","","0.0885","0.096","","","","","","1.037","","","","has coordinates,has Fobs","199096","2020-10-21","18:00:00",""
"2020813","8.7136","0.0002","6.3606","0.0002","13.3613","0.0003","90","","100.22","0.002","90","","728.78","0.03","293","2","293","2","","","","","","","","4","P 1 21 1","P 2yb","4","","(5<i>R</i>,8<i>S</i>)-8-<i>tert</i>-Butyl-7-methoxy-8-methyl-9-oxa-6-azaspiro[4.5]decan-2,10-dione","","- C14 H21 N O4 -","- C14 H21 N O4 -","- C28 H42 N2 O8 -","2","1","FN3237","Żesławska, Ewa; Jakubowska, Anna; Nitek, Wojciech","Conformational study of the 3,6-dihydro-2<i>H</i>-1,4-oxazin-2-one fragment in 8-<i>tert</i>-butyl-7-methoxy-8-methyl-9-oxa-6-azaspiro[4.5]decane-2,10-dione stereoisomers","Acta Crystallographica Section C","2017","73","7","556","562","10.1107/S2053229617009068","","","1.54184","CuKα","","0.0325","0.0315","","","0.0856","0.087","","","","","","1.04","","","","has coordinates,has Fobs","199097","2020-10-21","18:00:00",""
"2020814","8.7007","0.0003","6.3466","0.0002","13.3458","0.0004","90","","100.243","0.003","90","","725.21","0.04","293","2","293","2","","","","","","","","4","P 1 21 1","P 2yb","4","","(5<i>S</i>,8<i>R</i>)-8-<i>tert</i>-Butyl-7-methoxy-8-methyl-9-oxa-6-azaspiro[4.5]decane-2,10-dione","","- C14 H21 N O4 -","- C14 H21 N O4 -","- C28 H42 N2 O8 -","2","1","FN3237","Żesławska, Ewa; Jakubowska, Anna; Nitek, Wojciech","Conformational study of the 3,6-dihydro-2<i>H</i>-1,4-oxazin-2-one fragment in 8-<i>tert</i>-butyl-7-methoxy-8-methyl-9-oxa-6-azaspiro[4.5]decane-2,10-dione stereoisomers","Acta Crystallographica Section C","2017","73","7","556","562","10.1107/S2053229617009068","","","0.71073","MoKα","","0.0881","0.0522","","","0.1094","0.1272","","","","","","1.074","","","","has coordinates,has Fobs","199097","2020-10-21","18:00:00",""
"2020815","29.0091","0.0018","7.7205","0.0003","29.9984","0.0018","90","","114.524","0.003","90","","6112.5","0.6","293","2","293","2","","","","","","","","3","C 1 2 1","C 2y","5","","(20<i>S</i>,24<i>R</i>)-3-Acetyl-20,24-epoxydammarane-3β,12β,25-triol hemihydrate","","- C32 H55 O5.5 -","- C32 H55 O5.5 -","- C256 H440 O44 -","8","2","LF3050","Liu, Juan; Xu, Yang-Rong; An, Xing-Si; Hou, Gui-Ge; Meng, Qing-Guo","Synthesis and crystal structures of a 3-acetylated (20<i>S</i>,24<i>S</i>)-ocotillol-type saponin and its C-24 epimer","Acta Crystallographica Section C","2017","73","6","464","469","10.1107/S2053229617006507","","","1.54178","CuKα","","0.081","0.0622","","","0.1654","0.1854","","","","","","1.046","","","","has coordinates,has Fobs","199098","2020-10-21","18:00:00",""
"2020816","17.9895","0.0011","8.2912","0.0004","22.7981","0.0018","90","","108.343","0.002","90","","3227.7","0.4","293","2","293","2","","","","","","","","3","P 1 21 1","P 2yb","4","","(20<i>S</i>,24<i>R</i>)-3-Acetyl-20,24-epoxydammarane-3β,12β,25-triol ethanol hemisolvate","","- C33 H57 O5.5 -","- C33 H57 O5.5 -","- C132 H228 O22 -","4","2","LF3050","Liu, Juan; Xu, Yang-Rong; An, Xing-Si; Hou, Gui-Ge; Meng, Qing-Guo","Synthesis and crystal structures of a 3-acetylated (20<i>S</i>,24<i>S</i>)-ocotillol-type saponin and its C-24 epimer","Acta Crystallographica Section C","2017","73","6","464","469","10.1107/S2053229617006507","","","1.54178","CuKα","","0.0799","0.0538","","","0.1301","0.153","","","","","","1.027","","","","has coordinates,has Fobs","199098","2020-10-21","18:00:00",""
"2020817","10.91","0.002","8.037","0.0016","17.018","0.003","90","","92.5","0.03","90","","1490.8","0.5","153","2","153","","","","","","","","","3","P 1 21 1","P 2yb","4","","(20<i>S</i>,24<i>S</i>)-3-Acetyl-20,24-epoxydammarane-3,12,25-triol","","- C32 H54 O5 -","- C32 H54 O5 -","- C64 H108 O10 -","2","1","LF3050","Liu, Juan; Xu, Yang-Rong; An, Xing-Si; Hou, Gui-Ge; Meng, Qing-Guo","Synthesis and crystal structures of a 3-acetylated (20<i>S</i>,24<i>S</i>)-ocotillol-type saponin and its C-24 epimer","Acta Crystallographica Section C","2017","73","6","464","469","10.1107/S2053229617006507","","","1.54187","CuKα","","0.0843","0.0675","","","0.1835","0.2075","","","","","","1.19","","","","has coordinates,has Fobs","199098","2020-10-21","18:00:00",""
"2020818","8.1694","0.0003","17.2478","0.0005","7.7689","0.0002","90","","97.521","0.001","90","","1085.25","0.06","295","2","295","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","Poly[aqua(μ~12~-benzene-1,2,4,5-tetracarboxylato)distrontium(II)]","","- C10 H4 O9 Sr2 -","- C10 H4 O9 Sr2 -","- C40 H16 O36 Sr8 -","4","0.5","","Trifa, Chahrazed; Mokhtari, Samia; Bouacida, Sofiane; Boudaren, Chaouki; Boudraa, Mhamed; Merazig, Hocine","A novel three-dimensional Sr^II^ coordination polymer based on benzene-1,2,4,5-tetracarboxylate: hydrothermal synthesis, crystal structure and spectroscopic and thermal studies","Acta Crystallographica Section C","2017","73","5","369","375","10.1107/S2053229617003850","","","0.71073","MoKα","","0.0279","0.0205","","","0.0478","0.0503","","","","","","1.049","","","","has coordinates,has Fobs","199099","2020-10-21","18:00:00",""
"2020819","8.73056","0.00018","11.7379","0.0003","17.619","0.0007","90","","102.142","0.0008","90","","1765.17","0.09","173","2","173","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","Bis(1,1'-dimethyl-4,4'-bipyridine-1,1'-diium) hexacyanidoferrate(II) octahydrate","","- C30 H44 Fe N10 O8 -","- C30 H44 Fe N10 O8 -","- C60 H88 Fe2 N20 O16 -","2","0.5","UK3133","Tanaka, Rikako; Matsushita, Nobuyuki","A charge-transfer salt composed of methyl viologen and hexacyanidoferrate(II)","Acta Crystallographica Section C","2017","73","6","476","480","10.1107/S2053229617007616","","","0.71075","MoKα","","0.0489","0.0421","","","0.1221","0.1303","","","","","","1.094","","","","has coordinates,has Fobs","199100","2020-10-21","18:00:00",""
"2020820","17.0243","0.0016","10.494","0.001","15.1374","0.0014","90","","109.09","0.003","90","","2555.6","0.4","120","2","120.02","","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","{2,5-Bis[(diisopropylphosphanyl)methyl]pyrrolido-κ^3^<i>P</i>,<i>N</i>,<i>P</i>'}carbonylchlorido(trimethylphosphane-κ<i>P</i>)iron(II)","","- C22 H43 Cl Fe N O P3 -","- C22 H43 Cl Fe N O P3 -","- C88 H172 Cl4 Fe4 N4 O4 P12 -","4","1","KY3121","Holland, Amanda M.; Oliver, Allen G.; Iluc, Vlad M.","Iron pyrrole-based PNP pincer ligand complexes as catalyst precursors","Acta Crystallographica Section C","2017","73","7","569","574","10.1107/S2053229617009287","","","0.71073","MoKα","","0.0429","0.0316","","","0.0694","0.0759","","","","","","1.041","","","","has coordinates,has Fobs","199101","2020-10-21","18:00:00",""
"2020821","7.6074","0.0006","18.2229","0.0015","19.1442","0.0016","90","","92.3658","0.0013","90","","2651.7","0.4","296","2","296.15","","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","{2,5-Bis[(diisopropylphosphanyl)methyl]pyrrolido-κ^3^<i>P</i>,<i>N</i>,<i>P</i>'}chlorido(pyridine-κ<i>N</i>)iron(II)","","- C23 H39 Cl Fe N2 P2 -","- C23 H39 Cl Fe N2 P2 -","- C92 H156 Cl4 Fe4 N8 P8 -","4","1","KY3121","Holland, Amanda M.; Oliver, Allen G.; Iluc, Vlad M.","Iron pyrrole-based PNP pincer ligand complexes as catalyst precursors","Acta Crystallographica Section C","2017","73","7","569","574","10.1107/S2053229617009287","","","0.71073","MoKα","","0.0221","0.0208","","","0.0536","0.0544","","","","","","1.037","","","","has coordinates,has Fobs","199101","2020-10-21","18:00:00",""
"2020822","13.7917","0.0017","14.6349","0.0018","11.2225","0.0013","90","","90.729","0.002","90","","2265","0.5","120","2","120.04","","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","{2,5-Bis[(diisopropylphosphanyl)methyl]pyrrolido-κ^3^<i>P</i>,<i>N</i>,<i>P</i>'}dicarbonylchloridoiron(II)","","- C20 H34 Cl Fe N O2 P2 -","- C20 H34 Cl Fe N O2 P2 -","- C80 H136 Cl4 Fe4 N4 O8 P8 -","4","1","KY3121","Holland, Amanda M.; Oliver, Allen G.; Iluc, Vlad M.","Iron pyrrole-based PNP pincer ligand complexes as catalyst precursors","Acta Crystallographica Section C","2017","73","7","569","574","10.1107/S2053229617009287","","","0.71073","MoKα","","0.0472","0.042","","","0.0886","0.0901","","","","","","1.306","","","","has coordinates,has disorder,has Fobs","199101","2020-10-21","18:00:00",""
"2020823","8.073","0.0002","12.4019","0.0003","15.2718","0.0004","106.744","0.002","101.979","0.002","96.647","0.002","1406.93","0.07","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","Poly[[aqua(μ~2~-naphthalene-2,6-dicarboxylato){μ~2~-4,4'-[oxybis(4,1-phenylene)]dipyridine}cadmium(II)] monohydrate]","","- C34 H26 Cd N2 O7 -","- C34 H26 Cd N2 O7 -","- C68 H52 Cd2 N4 O14 -","2","1","YP3134","Xie, Hua; Fang, Wang-Jian; Yao, Xiao-Qiang","A cadmium(II) coordination polymer with both polyrotaxane and polycatenane features constructed by a V-shaped semi-rigid ligand: synthesis and fluorescence properties","Acta Crystallographica Section C","2017","73","7","541","545","10.1107/S2053229617008804","","","1.54178","CuKα","","0.0296","0.0292","","","0.0767","0.077","","","","","","1.082","","","","has coordinates,has Fobs","199102","2020-10-21","18:00:00",""
"2020824","7.9818","0.0003","26.7046","0.0009","9.222","0.0003","90","","115.398","0.002","90","","1775.69","0.11","200","2","200","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","2,3,5,6-Tetramethylpyrazine‒1,3,5-trifluoro-2,4,6-triiodobenzene (1/1)","","- C14 H12 F3 I3 N2 -","- C14 H12 F3 I3 N2 -","- C56 H48 F12 I12 N8 -","4","1","YP3130","Szell, Patrick M. J.; Gabriel, Shaina A.; Gill, Russell D. D.; Wan, Shirley Y. H.; Gabidullin, Bulat; Bryce, David L.","^13^C and ^19^F solid-state NMR and X-ray crystallographic study of halogen-bonded frameworks featuring nitrogen-containing heterocycles","Acta Crystallographica Section C","2017","73","3","157","167","10.1107/S2053229616015023","","","0.71073","MoKα","","0.0326","0.029","","","0.0659","0.0674","","","","","","1.185","","","","has coordinates,has Fobs","199103","2020-10-21","18:00:00",""
"2020825","10.5079","0.0004","12.5632","0.0005","15.1563","0.0006","90","","102.49","0.002","90","","1953.47","0.13","200","2","200","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","Acridine‒1,3,5-trifluoro-2,4,6-triiodobenzene (1/1)","Dibenzo[<i>b</i>,<i>e</i>]pyridine‒1,3,5-trifluoro-2,4,6-triiodobenzene (1/1)","","- C19 H9 F3 I3 N -","- C19 H9 F3 I3 N -","- C76 H36 F12 I12 N4 -","4","1","YP3130","Szell, Patrick M. J.; Gabriel, Shaina A.; Gill, Russell D. D.; Wan, Shirley Y. H.; Gabidullin, Bulat; Bryce, David L.","^13^C and ^19^F solid-state NMR and X-ray crystallographic study of halogen-bonded frameworks featuring nitrogen-containing heterocycles","Acta Crystallographica Section C","2017","73","3","157","167","10.1107/S2053229616015023","","","0.71073","MoKα","","0.0237","0.0219","","","0.0525","0.0538","","","","","","1.052","","","","has coordinates,has Fobs","199103","2020-10-21","18:00:00",""
"2020826","8.6445","0.0003","14.0472","0.0006","15.8147","0.0006","90","","97.662","0.002","90","","1903.25","0.13","200","2","200","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","1,10-Phenanthroline‒1,3,5-trifluoro-2,4,6-triiodobenzene (1/1)","","- C18 H8 F3 I3 N2 -","- C18 H8 F3 I3 N2 -","- C72 H32 F12 I12 N8 -","4","1","YP3130","Szell, Patrick M. J.; Gabriel, Shaina A.; Gill, Russell D. D.; Wan, Shirley Y. H.; Gabidullin, Bulat; Bryce, David L.","^13^C and ^19^F solid-state NMR and X-ray crystallographic study of halogen-bonded frameworks featuring nitrogen-containing heterocycles","Acta Crystallographica Section C","2017","73","3","157","167","10.1107/S2053229616015023","","","0.71073","MoKα","","0.0283","0.0251","","","0.0572","0.0592","","","","","","1.148","","","","has coordinates,has Fobs","199103","2020-10-21","18:00:00",""
"2020827","11.731","0.004","14.274","0.005","13.211","0.005","90","","100.862","0.007","90","","2172.5","1.3","296","2","296","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","Poly[[(μ-4,4'-bipyridine-κ^2^<i>N</i>,<i>N</i>')(μ-2,4'-oxydibenzoato-κ^4^<i>O</i>^2^,<i>O</i>^2'^:<i>O</i>^4^,<i>O</i>^4'^)copper(II)] monohydrate]{[Cu(C~14~H~8~O~5~)(C~10~H~8~N~2~)]\χdotH~2~O","","- C24 H18 Cu N2 O6 -","- C24 H18 Cu N2 O6 -","- C96 H72 Cu4 N8 O24 -","4","1","OV3089","Tang, Long; Zhang, Juan; Liu, Xiao-Xia; Wang, Ji-Jiang; Fu, Feng","A two-dimensional copper(II) coordination polymer based on 2,4′-oxybis(benzoate) and 4,4′-bipyridine","Acta Crystallographica Section C Structural Chemistry","2017","73","7","","","10.1107/S2053229617007537","","","0.71073","MoKα","","0.0743","0.0419","","","0.1007","0.1094","","","","","","1.005","","","","has coordinates,has disorder,has Fobs","199104","2020-10-21","18:00:00",""
"2020828","4.3677","0.0006","14.0232","0.0012","15.1816","0.0018","90","","96.153","0.016","90","","924.5","0.19","153","2","153","2","","","","","","","","4","P 1 c 1","P -2yc","7","","<i>N</i>^2^,<i>N</i>^3^-Bis(pyridin-4-ylmethyl)pyrazine-2,3-dicarboxamide","","- C18 H20 N6 O4 -","- C18 H20 N6 O4 -","- C36 H40 N12 O8 -","2","1","","Cati, Dilovan S.; Stoeckli-Evans, Helen","Crystal structure of a pyrazine-2,3-dicarboxamide ligand and of its silver(I) nitrate complex, a three-dimensional coordination polymer","Acta Crystallographica Section E Crystallographic Communications","2017","73","6","798","","10.1107/S2056989017006387","","","0.71073","MoKα","","0.1135","0.0506","","","0.1076","0.1224","","","","","","0.767","","","","has coordinates,has Fobs","199112","2020-10-21","18:00:00",""
"2020829","14.9776","0.0016","17.3228","0.0012","29.57","0.004","90","","90","","90","","7672.1","1.4","153","2","153","2","","","","","","","","5","F d d d","-F 2uv 2vw","70","","Poly[[[μ~4~-<i>N</i>^2^,<i>N</i>^3^-bis(pyridin-4-ylmethyl)pyrazine-2,3-dicarboxamide]silver(I)] nitrate]","","- C18 H16 Ag N7 O5 -","- C18 H16 Ag N7 O5 -","- C288 H256 Ag16 N112 O80 -","16","","","Cati, Dilovan S.; Stoeckli-Evans, Helen","Crystal structure of a pyrazine-2,3-dicarboxamide ligand and of its silver(I) nitrate complex, a three-dimensional coordination polymer","Acta Crystallographica Section E Crystallographic Communications","2017","73","6","798","","10.1107/S2056989017006387","","","0.71073","MoKα","","0.089","0.0454","","","0.0977","0.1069","","","","","","0.903","","","","has coordinates,has disorder,has Fobs","199112","2020-10-21","18:00:00",""
"2020830","8.0209","0.0003","14.5364","0.0005","25.0008","0.0008","90","","98.499","0.001","90","","2882.96","0.17","173","2","173","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","4-Bromo-<i>N</i>-[(2-nitrophenyl)sulfonyl]benzamide","","- C13 H9 Br N2 O5 S -","- C13 H9 Br N2 O5 S -","- C104 H72 Br8 N16 O40 S8 -","8","2","","Naveen, S.; Sudha, A. G.; Suresha, E.; Lokanath, N. K.; Suchetan, P. A.; Abdoh, M.","Crystal structures of isomeric 4-bromo-N-[(2-nitrophenyl)sulfonyl]benzamide and 4-bromo-N-[(4-nitrophenyl)sulfonyl]benzamide","Acta Crystallographica Section E Crystallographic Communications","2017","73","3","314","","10.1107/S2056989017001578","","","1.54178","CuKα","","0.0498","0.0488","","","0.1376","0.1389","","","","","","1.106","","","","has coordinates,has disorder,has Fobs","199121","2020-10-21","18:00:00",""
"2020831","9.6085","0.0004","10.3246","0.0005","27.7296","0.0013","90","","90","","90","","2750.9","0.2","173","2","173","2","","","","","","","","6","P b c a","-P 2ac 2ab","61","","4-Bromo-<i>N</i>-[(4-nitrophenyl)sulfonyl]benzamide","","- C13 H9 Br N2 O5 S -","- C13 H9 Br N2 O5 S -","- C104 H72 Br8 N16 O40 S8 -","8","1","","Naveen, S.; Sudha, A. G.; Suresha, E.; Lokanath, N. K.; Suchetan, P. A.; Abdoh, M.","Crystal structures of isomeric 4-bromo-N-[(2-nitrophenyl)sulfonyl]benzamide and 4-bromo-N-[(4-nitrophenyl)sulfonyl]benzamide","Acta Crystallographica Section E Crystallographic Communications","2017","73","3","314","","10.1107/S2056989017001578","","","1.54178","CuKα","","0.0504","0.0499","","","0.1374","0.138","","","","","","1.124","","","","has coordinates,has Fobs","199121","2020-10-21","18:00:00",""
"2020832","11.7931","0.0005","10.4209","0.0005","14.0792","0.0006","90","","111.081","0.001","90","","1614.46","0.12","294","2","294","2","","","","","","","","5","P 1 21 1","P 2yb","4","","(11<i>bS</i>)-<i>N</i>-[(2<i>S</i>,4<i>S</i>)-4-(Diphenylphosphanyl)pentan-2-yl]-<i>N</i>-methyldinaphtho[2,1-<i>d</i>:1',2'-<i>f</i>][1,3,2]dioxaphosphepin-4-amine","","- C38 H35 N O2 P2 -","- C38 H35 N O2 P2 -","- C76 H70 N2 O4 P4 -","2","1","SK3658","Balogh, Szabolcs; Farkas, Gergely; Holczbauer, Tamás; Bakos, József","Origin of the chemical stability of phosphine-phosphoramidites: structural study of an UPPhos-type crystal and application of UPPhos in the asymmetric hydrogenation of imines","Acta Crystallographica Section C","2017","73","8","","","10.1107/S2053229617010403","","","0.71075","MoKα","","0.0658","0.0439","","","0.0831","0.0899","","","","","","1.031","","","","has coordinates,has Fobs","199342","2020-10-21","18:00:00",""
"2020833","7.0166","0.0003","27.4725","0.0011","7.1101","0.0003","90","","113.738","0.001","90","","1254.61","0.09","100","2","100.15","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","Tricarbonyl[(1',2',3',4',5',6'-η)-2-fluoro-1,1'-biphenyl]chromium(0)","","- C15 H9 Cr F O3 -","- C15 H9 Cr F O3 -","- C60 H36 Cr4 F4 O12 -","4","1","YF3123","Guzei, Ilia A.; Spencer, Lara C.; Buechel, Sondra C.; Kaufmann, Leah B.; Czerwinski, Curtis J.","Intricacies of ligand coordination in tricarbonylchromium(0) complexes with <i>ortho</i>- and <i>para</i>-fluorobiphenyls","Acta Crystallographica Section C","2017","73","8","","","10.1107/S2053229617010774","","","0.71073","MoKα","","0.0258","0.024","","","0.0666","0.0682","","","","","","1.074","","","","has coordinates,has Fobs","199383","2020-10-21","18:00:00",""
"2020834","7.0616","0.0005","28.3503","0.0019","7.0571","0.0004","90","","114.324","0.005","90","","1287.41","0.15","120","2","120.15","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","Tricarbonyl[(1',2',3',4',5',6'-η)-4-fluoro-1,1'-biphenyl]chromium(0)","","- C15 H9 Cr F O3 -","- C15 H9 Cr F O3 -","- C60 H36 Cr4 F4 O12 -","4","1","YF3123","Guzei, Ilia A.; Spencer, Lara C.; Buechel, Sondra C.; Kaufmann, Leah B.; Czerwinski, Curtis J.","Intricacies of ligand coordination in tricarbonylchromium(0) complexes with <i>ortho</i>- and <i>para</i>-fluorobiphenyls","Acta Crystallographica Section C","2017","73","8","","","10.1107/S2053229617010774","","","1.54178","CuKα","","0.0284","0.0279","","","0.0767","0.077","","","","","","1.093","","","","has coordinates,has Fobs","199383","2020-10-21","18:00:00",""
"2020835","12.9824","0.0009","23.0588","0.0015","5.7527","0.0004","90","","90","","90","","1722.1","0.2","100","","100.02","","","","","","","","","3","F d d 2","F 2 -2d","43","","4-Fluoro-1,1'-biphenyl","","- C12 H9 F -","- C12 H9 F -","- C96 H72 F8 -","8","0.5","YF3123","Guzei, Ilia A.; Spencer, Lara C.; Buechel, Sondra C.; Kaufmann, Leah B.; Czerwinski, Curtis J.","Intricacies of ligand coordination in tricarbonylchromium(0) complexes with <i>ortho</i>- and <i>para</i>-fluorobiphenyls","Acta Crystallographica Section C","2017","73","8","","","10.1107/S2053229617010774","","","1.54178","CuKα","","0.0387","0.0385","","","0.1062","0.1066","","","","","","1.13","","","","has coordinates,has disorder,has Fobs","199383","2020-10-21","18:00:00",""
"2020836","5.6462","0.0014","20.739","0.005","7.292","0.002","90","","90","","90","","853.9","0.4","100","","100","","","","","","","","","3","P b c n","-P 2n 2ab","60","","2-Fluoro-1,1'-biphenyl","","- C12 H9 F -","- C12 H9 F -","- C48 H36 F4 -","4","0.5","YF3123","Guzei, Ilia A.; Spencer, Lara C.; Buechel, Sondra C.; Kaufmann, Leah B.; Czerwinski, Curtis J.","Intricacies of ligand coordination in tricarbonylchromium(0) complexes with <i>ortho</i>- and <i>para</i>-fluorobiphenyls","Acta Crystallographica Section C","2017","73","8","","","10.1107/S2053229617010774","","","0.71073","MoKα","","0.0495","0.045","","","0.1387","0.1434","","","","","","1.112","","","","has coordinates,has disorder,has Fobs","199383","2020-10-21","18:00:00",""
"2020837","13.264","0.003","9.0189","0.0018","14.709","0.003","90","","107.04","0.03","90","","1682.3","0.7","293","2","293","2","","","","","","","","5","P 1 2/n 1","-P 2yac","13","","<i>catena</i>-Poly[[[diaquabis{2-[(1<i>H</i>-imidazol-1-yl)methyl]-6-methyl-1<i>H</i>-benzimidazole-κ<i>N</i>^3^}cobalt(II)]-μ~2~-benzene-1,4-dicarboxylato-κ^2^<i>O</i>^1^:<i>O</i>^4^] dihydrate]","","- C32 H36 Co N8 O8 -","- C32 H35.994 Co N8 O8 -","- C64 H71.988 Co2 N16 O16 -","2","0.5","","Huang, Qiu-Ying; Zhao, Yang; Meng, Xiang-Ru","Syntheses, structures and characterization of isomorphous Co^II^and Ni^II^ coordination polymers based on 2-[(1<i>H</i>-imidazol-1-yl)methyl]-6-methyl-1<i>H</i>-benzimidazole and benzene-1,4-dicarboxylate","Acta Crystallographica Section C","2017","73","8","645","651","10.1107/S2053229617010877","","","0.71073","MoKα","","0.0555","0.0516","","","0.0936","0.0955","","","","","","1.225","","","","has coordinates,has disorder,has Fobs","199433","2020-10-21","18:00:00",""
"2020838","13.192","0.003","9.018","0.0018","14.67","0.003","90","","106.84","0.03","90","","1670.4","0.7","293","2","293","2","","","","","","","","5","P 1 2/n 1","-P 2yac","13","","<i>catena</i>-Poly[[[diaquabis{2-[(1<i>H</i>-imidazol-1-yl)methyl]-6-methyl-1<i>H</i>-benzimidazole-κ<i>N</i>^3^}nickel(II)]-μ~2~-benzene-1,4-dicarboxylato-κ^2^<i>O</i>^1^:<i>O</i>^4^] dihydrate]","","- C32 H36 N8 Ni O8 -","- C32 H36 N8 Ni O8 -","- C64 H72 N16 Ni2 O16 -","2","0.5","","Huang, Qiu-Ying; Zhao, Yang; Meng, Xiang-Ru","Syntheses, structures and characterization of isomorphous Co^II^and Ni^II^ coordination polymers based on 2-[(1<i>H</i>-imidazol-1-yl)methyl]-6-methyl-1<i>H</i>-benzimidazole and benzene-1,4-dicarboxylate","Acta Crystallographica Section C","2017","73","8","645","651","10.1107/S2053229617010877","","","0.71073","MoKα","","0.0442","0.0387","","","0.0872","0.0904","","","","","","1.109","","","","has coordinates,has disorder,has Fobs","199433","2020-10-21","18:00:00",""
"2020839","5.9124","0.0002","17.6155","0.0005","20.3351","0.0006","90","","96.563","0.003","90","","2104.02","0.11","295","2","295","1","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","[(1-{4-[2-(2,4-Dihydroxyphenyl)diazen-1-yl]phenyl}ethylidene)amino]thiourea 1,1,2,2-tetrachloroethane monosolvate","","- C17 H17 Cl4 N5 O2 S -","- C17 H17 Cl4 N5 O2 S -","- C68 H68 Cl16 N20 O8 S4 -","4","1","HB7686","Riyadh, Sayed; Hughes, David L.; Said, Musa A.","Crystal structure of a 1,1,2,2-tetrachloroethane-solvated hydrazinecarbothioamide compound","Acta Crystallographica Section E Crystallographic Communications","2017","73","9","1271","","10.1107/S2056989017010830","","","0.71073","Mo-Kα","","0.0865","0.0764","","","0.1967","0.2035","","","","","","1.087","","","","has coordinates,has Fobs","199460","2020-10-21","18:00:00",""
"2020840","4.9801","0.0001","17.4771","0.0002","23.1","0.0002","90","","94.124","0.001","90","","2005.37","0.05","150","0.1","150","0.1","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","dibenzo-21-crown-7","Dibenzo[<i>b</i>,<i>k</i>][1,4,7,10,13,16,19]heptaoxacyclohenicosa-2,11-diene","","- C22 H28 O7 -","- C22 H28 O7 -","- C88 H112 O28 -","4","1","SK3663","Wiedemann, Dennis; Kohl, Julia","Invariom-model refinement and Hirshfeld surface analysis of well-ordered solvent-free dibenzo-21-crown-7","Acta Crystallographica Section C Structural Chemistry","2017","73","9","","","10.1107/S2053229617011160","","","1.54184","CuKα","","0.0324","0.0296","","","","0.0836","","","","","","0.9807","","","","has coordinates,has Fobs","199554","2020-10-21","18:00:00",""
"2020841","4.9801","0.0001","17.4771","0.0002","23.1","0.0002","90","","94.124","0.001","90","","2005.37","0.05","150","0.1","150","0.1","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","dibenzo-21-crown-7","Dibenzo[<i>b</i>,<i>k</i>][1,4,7,10,13,16,19]heptaoxacyclohenicosa-2,11-diene","","- C22 H28 O7 -","- C22 H28 O7 -","- C88 H112 O28 -","4","1","SK3663","Wiedemann, Dennis; Kohl, Julia","Invariom-model refinement and Hirshfeld surface analysis of well-ordered solvent-free dibenzo-21-crown-7","Acta Crystallographica Section C Structural Chemistry","2017","73","9","","","10.1107/S2053229617011160","","","1.54184","CuKα","","0.0417","0.0378","","","0.0997","0.1029","","","","","","1.048","","","","has coordinates,has Fobs","199554","2020-10-21","18:00:00",""
"2020842","9.3455","0.0009","13.1854","0.001","9.2185","0.0008","90","","118.466","0.011","90","","998.61","0.18","295","2","295","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","1,3,5-Trifluoro-2,4,6-triiodobenzene","","- C6 F3 I3 -","- C6 F3 I3 -","- C24 F12 I12 -","4","1","UK3135","Raffo, Pablo A.; Suárez, Sebastián; Fantoni, Adolfo C.; Baggio, Ricardo; Cukiernik, Fabio D.","Polymorphism of a widely used building block for halogen-bonded assemblies: 1,3,5-trifluoro-2,4,6-triiodobenzene","Acta Crystallographica Section C","2017","73","9","","","10.1107/S2053229617011007","","","0.71073","MoKα","","0.0868","0.0538","","","0.132","0.1653","","","","","","1.058","","","","has coordinates,has Fobs","199555","2020-10-21","18:00:00",""
"2020843","9.1077","0.0007","13.5893","0.0011","19.476","0.0016","90","","90","","90","","2410.5","0.3","100","2","100","2","","","","","","","","4","P c c n","-P 2ab 2ac","56","A646 (Breton2016)","4-Methyl-1-[4-methyl-3,5-dioxo-2-(2,4,6-trimethylphenyl)-1,2,4-triazolidin-1-yl]-2-(2,4,6-trimethylphenyl)-1,2,4-triazolidine-3,5-dione","","- C24 H28 N6 O4 -","- C24 H28 N6 O4 -","- C96 H112 N24 O16 -","4","0.5","FN3238","Martin, Kenneth L.; Breton, Gary W.","Computational, ^1^H NMR, and X-ray structural studies on 1-arylurazole tetrazane dimers","Acta Crystallographica Section C","2017","73","9","","","10.1107/S2053229617010786","","","0.71073","MoKα","","0.0492","0.0446","","","0.1195","0.1261","","","","","","1.041","","","","has coordinates,has Fobs","199556","2020-10-21","18:00:00",""
"2020844","15.8635","0.0002","15.8635","0.0002","8.9754","0.0001","90","","90","","120","","1956.06","0.04","293","2","293","2","","","","","","","","6","P 3 c 1","P 3 -2""c","158","","","","- C12 H11 Cl N3 O P -","- C12 H11 Cl N3 O P -","- C72 H66 Cl6 N18 O6 P6 -","6","1","LY3049","Sabbaghi, Fahimeh; Pourayoubi, Mehrdad; Farhadipour, Abolghasem; Ghorbanian, Nazila; Andreev, Pavel V.","A novel tubular hydrogen-bond pattern in a new diazaphosphole oxide: a combination of X-ray crystallography and theoretical study of hydrogen bonds","Acta Crystallographica Section C","2017","73","7","508","516","10.1107/S205322961700794X","","","0.71073","MoKα","","0.0421","0.0407","","","","0.1084","","","","","","1.07","","","","has coordinates,has Fobs","199598","2020-10-21","18:00:00",""
"2020845","8.4211","0.0011","9.5379","0.0012","9.7491","0.0012","83.531","0.006","66.048","0.004","85.922","0.006","710.78","0.16","296","2","296","2","","","","","","","","4","P -1","-P 1","2","","Bis[4-amino-3,5-bis(pyridin-2-yl)-1,2,4-triazole-κ^2^<i>N</i>^1^,<i>N</i>^5^]bis(dicyanamido-κ<i>N</i>^1^)zinc(II)","","- C28 H20 N18 Zn -","- C28 H20 N18 Zn -","- C28 H20 N18 Zn -","1","0.5","SK3666","Setifi, Zouaoui; Zambon, Daniel; Setifi, Fatima; El-Ghozzi, Malika; Mahiou, Rachid; Glidewell, Christopher","Three zinc(II) and cadmium(II) complexes containing 4-amino-3,5-bis(pyridin-2-yl)-1,2,4-triazole and polynitrile ligands: synthesis, molecular and supramolecular structures, and photoluminescence properties","Acta Crystallographica Section C","2017","73","9","","","10.1107/S2053229617011391","","","0.71073","MoKα","","0.0695","0.0445","","","0.1059","0.1172","","","","","","1.019","","","","has coordinates,has Fobs","199636","2020-10-21","18:00:00",""
"2020846","8.7209","0.0004","8.7949","0.0004","10.349","0.0004","91.966","0.002","94.945","0.002","112.682","0.002","727.67","0.06","296","2","296","2","","","","","","","","4","P -1","-P 1","2","","Bis[4-amino-3,5-bis(pyridin-2-yl)-1,2,4-triazole-κ^2^<i>N</i>^1^,<i>N</i>^5^]bis(dicyanamido-κ<i>N</i>^1^)cadmium(II)","","- C28 H20 Cd N18 -","- C28 H20 Cd N18 -","- C28 H20 Cd N18 -","1","0.5","SK3666","Setifi, Zouaoui; Zambon, Daniel; Setifi, Fatima; El-Ghozzi, Malika; Mahiou, Rachid; Glidewell, Christopher","Three zinc(II) and cadmium(II) complexes containing 4-amino-3,5-bis(pyridin-2-yl)-1,2,4-triazole and polynitrile ligands: synthesis, molecular and supramolecular structures, and photoluminescence properties","Acta Crystallographica Section C","2017","73","9","","","10.1107/S2053229617011391","","","0.71073","MoKα","","0.0341","0.0299","","","0.0664","0.0679","","","","","","1.098","","","","has coordinates,has Fobs","199636","2020-10-21","18:00:00",""
"2020847","9.271","0.005","9.571","0.005","10.156","0.005","87.833","0.005","68.383","0.005","88.803","0.005","837.2","0.8","296","2","296","2","","","","","","","","4","P -1","-P 1","2","","Bis[4-amino-3,5-bis(pyridin-2-yl)-1,2,4-triazole-κ^2^<i>N</i>^1^,<i>N</i>^5^]bis(tricyanomethanido-κ<i>N</i>^1^)cadmium(II)","","- C32 H20 Cd N18 -","- C32 H20 Cd N18 -","- C32 H20 Cd N18 -","1","0.5","SK3666","Setifi, Zouaoui; Zambon, Daniel; Setifi, Fatima; El-Ghozzi, Malika; Mahiou, Rachid; Glidewell, Christopher","Three zinc(II) and cadmium(II) complexes containing 4-amino-3,5-bis(pyridin-2-yl)-1,2,4-triazole and polynitrile ligands: synthesis, molecular and supramolecular structures, and photoluminescence properties","Acta Crystallographica Section C","2017","73","9","","","10.1107/S2053229617011391","","","0.71073","MoKα","","0.0306","0.0262","","","0.0611","0.0635","","","","","","1.057","","","","has coordinates,has Fobs","199636","2020-10-21","18:00:00",""
"2020848","13.0866","0.0016","21.934","0.003","24.898","0.003","90","","91.214","0.004","90","","7145.2","1.6","100","2","100","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","(Cryptand-222)potassium (2-methylimidazolato)(<i>meso</i>-tetraphenylporphinato)ferrate(II)‒2-methylimidazole‒tetrahydrofuran (1/1/2)","(4,7,13,16,21,24-hexaoxa-1,10-diazabicyclo[8.8.8]hexacosane)potassium (2-methylimidazolato)(<i>meso</i>-tetraphenylporphinato)ferrate(II)‒2-methylimidazole‒tetrahydrofuran (1/1/2)","","- C78 H91 Fe K N10 O8 -","- C78 H91 Fe K N10 O8 -","- C312 H364 Fe4 K4 N40 O32 -","4","1","EG3222","Wu, Qi; Yao, Zhen; Li, Jianfeng","Synthesis and characterization of (cryptand-222)potassium (2-methylimidazolato)(<i>meso</i>-tetraphenylporphinato)ferrate(II)‒2-methylimidazole‒tetrahydrofuran (1/1/2)","Acta Crystallographica Section C","2017","73","9","","","10.1107/S2053229617009202","","","0.71073","MoKα","","0.0483","0.0357","","","0.0803","0.0866","","","","","","1.04","","","","has coordinates,has disorder,has Fobs","199667","2020-10-21","18:00:00",""
"2020849","10.6134","0.0014","15.7166","0.0016","11.8754","0.0017","90","","100.376","0.005","90","","1948.5","0.4","200","2","200","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","Dichlorido{5,6-dimethyl-2-(pyridin-2-yl)-1-(pyridin-2-ylmethyl)-1<i>H</i>-benzimidazole-κ^2^<i>N</i>^2^,<i>N</i>^3^}platinum(II)","","- C20 H18 Cl2 N4 Pt -","- C20 H18 Cl2 N4 Pt -","- C80 H72 Cl8 N16 Pt4 -","4","1","UK3137","DeStefano, Matthew R.; Geiger, David K.","A luminescent bis(pyridyl)-substituted benzimidazole platinum(II) complex exhibiting an intermolecular anagostic interaction","Acta Crystallographica Section C","2017","73","9","","","10.1107/S2053229617011573","","","0.71073","MoKa","","0.0506","0.0331","","","0.0641","0.0691","","","","","","1.048","","","","has coordinates,has disorder,has Fobs","199699","2020-10-21","18:00:00",""
"2020850","48.675","0.003","8.375","0.0005","16.3155","0.0009","90","","100.716","0.002","90","","6535.1","0.7","173","2","173","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","Aquabis(dimethylformamide-κ<i>O</i>)(perchlorato-κ<i>O</i>)[2-(quinolin-2-yl)-1,3-oxazolo[4,5-<i>f</i>][1,10]phenanthroline]copper(II) perchlorate monohydrate","","- C28 H30 Cl2 Cu N6 O13 -","- C28 H30 Cl2 Cu N6 O13 -","- C224 H240 Cl16 Cu8 N48 O104 -","8","1","SK3665","Bhat, Satish S.; Revankar, Vidyanand K.; Shivalingegowda, Naveen; Lokanath, N. K.","A fluorophore-labelled copper complex: crystal structure, hybrid cyclic water‒perchlorate cluster and biological properties","Acta Crystallographica Section C","2017","73","9","","","10.1107/S2053229617011639","","","1.54178","CuKα","","0.0522","0.0466","","","0.1268","0.132","","","","","","1.021","","","","has coordinates,has disorder,has Fobs","199767","2020-10-21","18:00:00",""
"2020851","10.6003","0.0002","14.0573","0.0003","15.8141","0.0002","90","","104.016","0.001","90","","2286.33","0.07","150","1","150","1","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","Bis(μ-4-oxo-2-phenyl-4<i>H</i>-chromen-3-olato)-κ^3^<i>O</i>^3^:<i>O</i>^3^,<i>O</i>^4^;κ^3^<i>O</i>^3^,<i>O</i>^4^:<i>O</i>^3^-bis[(2,2'-bipyridine-κ^2^<i>N</i>,<i>N</i>')zinc(II)] bis(perchlorate)","","- C50 H34 Cl2 N4 O14 Zn2 -","- C50 H34 Cl2 N4 O14 Zn2 -","- C100 H68 Cl4 N8 O28 Zn4 -","2","0.5","LG3207","Sorenson, Shayne; Popova, Marina; Arif, Atta M.; Berreau, Lisa M.","A bipyridine-ligated zinc(II) complex with bridging flavonolate ligation: synthesis, characterization, and visible-light-induced CO release reactivity","Acta Crystallographica Section C","2017","73","9","","","10.1107/S2053229617011366","","","0.71073","MoKα","","0.0478","0.0372","","","0.0878","0.0933","","","","","","1.031","","","","has coordinates,has disorder,has Fobs","199768","2020-10-21","18:00:00",""
"2020852","7.3985","0.0004","16.498","0.0009","22.9089","0.0013","90","","98.3739","0.001","90","","2766.5","0.3","100","2","100","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","1","<i>catena</i>-Poly[[bromidomercury(II)]-μ-bromido-[aquabis[4-hydroxy-3-(pyridin-4-yl)pent-3-en-2-one]cadmium(II)]-di-μ-bromido]","","- C20 H24 Br4 Cd Hg N2 O5 -","- C20 H24 Br4 Cd Hg N2 O5 -","- C80 H96 Br16 Cd4 Hg4 N8 O20 -","4","1","YF3124","Truong, Khai-Nghi; Merkens, Carina; Englert, Ulli","3-(Pyridin-4-yl)acetylacetone: Cd^II^ and Hg^II^ compete for nitrogen coordination","Acta Crystallographica Section C","2017","73","9","","","10.1107/S2053229617011408","","","0.71073","MoKα","","0.0457","0.0362","","","0.0789","0.0825","","","","","","1.025","","","","has coordinates,has Fobs","199769","2020-10-21","18:00:00",""
"2020853","5.3945","0.0004","9.1577","0.0005","43.475","0.004","90","","90","","90","","2147.7","0.3","253","2","253","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","(2<i>S</i>,3<i>R</i>,4<i>R</i>,5<i>S</i>,6<i>R</i>)-2-[4-Chloro-3-(4-ethoxybenzyl)phenyl]-6-(methylsulfanyl)tetrahydro-2<i>H</i>-pyran-3,4,5-triol","","- C21 H25 Cl O5 S -","- C21 H25 Cl O5 S -","- C84 H100 Cl4 O20 S4 -","4","1","FM3052","Gelbrich, Thomas; Adamer, Verena; Stefinovic, Marijan; Thaler, Andrea; Griesser, Ulrich J.","Hydrogen-bonded structures and interaction energies in two forms of the SGLT-2 inhibitor sotagliflozin","Acta Crystallographica Section C","2017","73","9","","","10.1107/S2053229617011603","","","1.54184","CuKα","","0.0616","0.0441","","","0.0935","0.1082","","","","","","1.069","","","","has coordinates,has Fobs","199770","2020-10-21","18:00:00",""
"2020854","4.4659","0.0003","9.8994","0.0008","48.073","0.005","90","","90","","90","","2125.3","0.3","173","2","173","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","(2<i>S</i>,3<i>R</i>,4<i>R</i>,5<i>S</i>,6<i>R</i>)-2-[4-Chloro-3-(4-ethoxybenzyl)phenyl]-6-(methylsulfanyl)tetrahydro-2<i>H</i>-pyran-3,4,5-triol monohydrate","","- C21 H27 Cl O6 S -","- C21 H27 Cl O6 S -","- C84 H108 Cl4 O24 S4 -","4","1","FM3052","Gelbrich, Thomas; Adamer, Verena; Stefinovic, Marijan; Thaler, Andrea; Griesser, Ulrich J.","Hydrogen-bonded structures and interaction energies in two forms of the SGLT-2 inhibitor sotagliflozin","Acta Crystallographica Section C","2017","73","9","","","10.1107/S2053229617011603","","","1.54184","CuKα","","0.0832","0.073","","","0.1434","0.149","","","","","","1.35","","","","has coordinates,has Fobs","199770","2020-10-21","18:00:00",""
"2020855","10.3583","0.0002","13.1393","0.0003","17.7722","0.0004","90","","92.291","0.002","90","","2416.88","0.09","293","2","293","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","Trimethoprimium ferrocenecarboxylate","2,4-Diamino-5-(3,4,5-trimethoxybenzyl)pyrimidin-1-ium ferrocene-1-carboxylate","","- C25 H28 Fe N4 O5 -","- C25 H28 Fe N4 O5 -","- C100 H112 Fe4 N16 O20 -","4","1","KU3202","Swinton Darious, Robert; Thomas Muthiah, Packianathan; Perdih, Franc","Supramolecular architectures in the salt trimethoprimium ferrocene-1-carboxylate and the cocrystal 4-amino-5-chloro-2,6-dimethylpyrimidine‒ferrocene-1-carboxylic acid (1/1)","Acta Crystallographica Section C","2017","73","9","","","10.1107/S2053229617011913","","","0.71073","MoKα","","0.0438","0.0344","","","0.0851","0.0903","","","","","","1.066","","","","has coordinates,has disorder,has Fobs","199852","2020-10-21","18:00:00",""
"2020856","20.8783","0.0007","7.4013","0.0002","23.2605","0.0008","90","","108.146","0.004","90","","3415.6","0.2","293","2","293","2","","","","","","","","6","I 1 2/a 1","-I 2ya","15","4-Amino-5-chloro-2,6-dimethylpyrimidine ferrocenecarboxylic acid","4-Amino-5-chloro-2,6-dimethylpyrimidine‒ferrocene-1-carboxylic acid (1/1)","","- C17 H18 Cl Fe N3 O2 -","- C17 H18 Cl Fe N3 O2 -","- C136 H144 Cl8 Fe8 N24 O16 -","8","1","","Swinton Darious, Robert; Thomas Muthiah, Packianathan; Perdih, Franc","Supramolecular architectures in the salt trimethoprimium ferrocene-1-carboxylate and the cocrystal 4-amino-5-chloro-2,6-dimethylpyrimidine‒ferrocene-1-carboxylic acid (1/1)","Acta Crystallographica Section C","2017","73","9","","","10.1107/S2053229617011913","","","0.71073","MoKα","","0.0437","0.032","","","0.0772","0.084","","","","","","1.069","","","","has coordinates,has Fobs","199852","2020-10-21","18:00:00",""
"2020857","16.56","0.003","13.383","0.003","13.302","0.003","90","","111.47","0.03","90","","2743.5","1.2","223","2","223","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","Poly[[[μ~4~-1,4-bis(1,2,4-triazol-1-yl)but-2-ene]bis(μ~3~-5-carboxybenzene-1,3-dicarboxylato)dicadmium(II)] dihydrate]","","- C13 H11 Cd N3 O7 -","- C26 H22 Cd2 N6 O14 -","- C104 H88 Cd8 N24 O56 -","4","0.5","EG3225","Zhou, Qian-Kun; Li, Ni-Ya","A three-dimensional cadmium coordination polymer based on 1,4-bis(1,2,4-triazol-1-yl)but-2-ene and benzene-1,3,5-tricarboxylic acid","Acta Crystallographica Section C","2017","73","9","","","10.1107/S2053229617012189","","","0.71073","MoKα","","0.0209","0.0201","","","0.0468","0.0473","","","","","","1.157","","","","has coordinates,has Fobs","199942","2020-10-21","18:00:00",""
"2020877","7.3257","0.0015","9.0188","0.0018","15.578","0.003","81.7","0.03","77.64","0.03","68.9","0.03","935.4","0.4","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","Poly[bis{μ~2~-4,4'-bis[(1,2,4-triazol-1-yl)methyl]biphenyl-κ^2^<i>N</i>^4^:<i>N</i>^4'^}bis(nitrato-κ<i>O</i>)zinc(II)]","","- C36 H32 N14 O6 Zn -","- C36 H32 N14 O6 Zn -","- C36 H32 N14 O6 Zn -","1","0.5","VN2130","Liu, Fuhong; Ding, Yan; Li, Qiuyu; Zhang, Liping","A two-dimensional Zn coordination polymer with a three-dimensional supramolecular architecture","Acta Crystallographica Section E Crystallographic Communications","2017","73","10","1402","","10.1107/S2056989017012452","","","0.71073","MoKα","","0.0664","0.0509","","","0.1295","0.1434","","","","","","1.046","","","","has coordinates,has disorder,has Fobs","200207","2020-10-21","18:00:00",""
"2020898","5.1217","0.0009","9.8397","0.0014","21.914","0.004","90","","90","","90","","1104.4","0.3","100","2","100","2","","","","","","","","3","P b c a","-P 2ac 2ab","61","26-DAP","Pyridine-2,6-diamine","","- C5 H7 N3 -","- C5 H7 N3 -","- C40 H56 N24 -","8","1","QS3064","Hall, Victoria M.; Bertke, Jeffery A.; Swift, Jennifer A.","A new polymorph of 2,6-diaminopyridine","Acta Crystallographica Section C","2017","73","11","990","993","10.1107/S2053229617014978","","","0.71073","MoKα","","0.1189","0.0561","","","0.1204","0.149","","","","","","0.984","","","","has coordinates,has Fobs","205301","2020-10-21","18:00:00",""
"2020899","4.5031","0.0011","6.586","0.0016","10.572","0.003","90","","96.54","0.006","90","","311.5","0.14","100","2","100","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","Adiponitrile","Hexane-1,6-dinitrile","","- C6 H8 N2 -","- C6 H8 N2 -","- C12 H16 N4 -","2","0.5","SK3672","Seidel, Rüdiger W.; Goddard, Richard; Nöthling, Nils; Lehmann, Christian W.","Adiponitrile at 100K","Acta Crystallographica Section C","2017","73","11","937","940","10.1107/S2053229617014620","","","1.54178","CuKα","","0.0456","0.0453","","","0.1305","0.1309","","","","","","1.141","","","","has coordinates,has Fobs","205302","2020-10-21","18:00:00",""
"2020900","8.4341","0.0002","8.6991","0.0002","10.1083","0.0002","91.249","0.002","113.506","0.002","110.292","0.002","626.74","0.03","173","2","173.15","","","","","","","","","5","P -1","-P 1","2","","<i>N</i>-(3-Methoxyphenyl)-<i>N</i>'-(pyridin-2-yl)thiourea","","- C13 H13 N3 O S -","- C13 H13 N3 O S -","- C26 H26 N6 O2 S2 -","2","1","YF3126","Schroeder, Zachary W.; Hiscock, L. K.; Dawe, Louise Nicole","Copper(II)- and gold(III)-mediated cyclization of a thiourea to a substituted 2-aminobenzothiazole","Acta Crystallographica Section C","2017","73","11","905","910","10.1107/S205322961701381X","","","1.54184","CuKα","","0.0337","0.033","","","0.0835","0.0838","","","","","","1.109","","","","has coordinates,has Fobs","205305","2020-10-21","18:00:00",""
"2020901","18.1534","0.0004","7.1814","0.0001","21.8523","0.0004","90","","90","","90","","2848.82","0.09","110","2","110.15","","","","","","","","","6","P b c n","-P 2n 2ab","60","","Aquabis[5-methoxy-<i>N</i>-(pyridin-2-yl-κ<i>N</i>)benzothiazol-2-amine-κ<i>N</i>^3^]copper(II) dinitrate","","- C26 H24 Cu N8 O9 S2 -","- C26 H24 Cu N8 O9 S2 -","- C104 H96 Cu4 N32 O36 S8 -","4","0.5","YF3126","Schroeder, Zachary W.; Hiscock, L. K.; Dawe, Louise Nicole","Copper(II)- and gold(III)-mediated cyclization of a thiourea to a substituted 2-aminobenzothiazole","Acta Crystallographica Section C","2017","73","11","905","910","10.1107/S205322961701381X","","","0.71073","MoKα","","0.0497","0.0497","","","0.1052","0.1052","","","","","","1.335","","","","has coordinates,has Fobs","205305","2020-10-21","18:00:00",""
"2020902","10.0052","0.0001","12.594","0.0002","12.9412","0.0001","111.867","0.001","97.271","0.001","99.755","0.001","1459.04","0.03","110","2","110.15","","","","","","","","","7","P -1","-P 1","2","","Bis{2-[(5-methoxy-1,3-benzothiazol-2-yl)amino]pyridin-1-ium} dichloridogold(I) chloride monohydrate","","- C26 H26 Au Cl3 N6 O3 S2 -","- C26 H26 Au Cl3 N6 O3 S2 -","- C52 H52 Au2 Cl6 N12 O6 S4 -","2","1","YF3126","Schroeder, Zachary W.; Hiscock, L. K.; Dawe, Louise Nicole","Copper(II)- and gold(III)-mediated cyclization of a thiourea to a substituted 2-aminobenzothiazole","Acta Crystallographica Section C","2017","73","11","905","910","10.1107/S205322961701381X","","","0.71073","MoKα","","0.0185","0.0182","","","0.0408","0.0408","","","","","","1.209","","","","has coordinates,has Fobs","205305","2020-10-21","18:00:00",""
"2020903","12.0312","0.0006","16.1528","0.0008","8.1007","0.0004","90","","107.295","0.006","90","","1503.09","0.14","100","0.1","100","0.1","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","Potassium [2-methoxy-4-(prop-2-en-1-yl)phenol]trichloridoplatinate","","- C10 H12 Cl3 K O2 Pt -","- C10 H12 Cl3 K O2 Pt -","- C40 H48 Cl12 K4 O8 Pt4 -","4","1","SK3673","Nguyen Thi Thanh, Chi; Truong Thi Cam, Mai; Pham Van, Thong; Nguyen, Long; Nguyen Ha, My; Van Meervelt, Luc","Synthesis, structure and <i>in vitro</i> cytotoxicity of platinum(II) complexes containing eugenol and a quinolin-8-ol-derived chelator","Acta Crystallographica Section C","2017","73","11","1030","1037","10.1107/S2053229617015200","","","0.71073","MoKα","","0.0245","0.0227","","","0.0411","0.0417","","","","","","1.197","","","","has coordinates,has disorder,has Fobs","205306","2020-10-21","18:00:00",""
"2020904","8.1313","0.0003","11.296","0.0005","11.4294","0.0007","88.793","0.004","76.567","0.004","70.219","0.004","958.93","0.09","100","0.1","100","0.1","","","","","","","","6","P -1","-P 1","2","","Chlorido(5,7-dichloroquinolin-8-olato-κ^2^<i>N</i>,<i>O</i>)[η^2^-2-methoxy4-(prop-2-en-1-yl)phenol]platinum(II)","","- C19 H16 Cl3 N O3 Pt -","- C19 H16 Cl3 N O3 Pt -","- C38 H32 Cl6 N2 O6 Pt2 -","2","1","SK3673","Nguyen Thi Thanh, Chi; Truong Thi Cam, Mai; Pham Van, Thong; Nguyen, Long; Nguyen Ha, My; Van Meervelt, Luc","Synthesis, structure and <i>in vitro</i> cytotoxicity of platinum(II) complexes containing eugenol and a quinolin-8-ol-derived chelator","Acta Crystallographica Section C","2017","73","11","1030","1037","10.1107/S2053229617015200","","","0.71073","MoKα","","0.0411","0.0359","","","0.0841","0.0882","","","","","","1.112","","","","has coordinates,has disorder,has Fobs","205306","2020-10-21","18:00:00",""
"2020905","7.1226","0.0014","9.0134","0.0018","9.1203","0.0018","103.16","0.03","107.48","0.03","106.69","0.03","502.4","0.3","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","Bis(μ-1,2,4-triazol-4-ide-3-carboxylato)-κ^3^<i>N</i>^2^,<i>O</i>:<i>N</i>^1^;κ^3^<i>N</i>^1^:<i>N</i>^2^,<i>O</i>-bis[triamminenickel(II)] tetrahydrate","","- C6 H28 N12 Ni2 O8 -","- C6 H28 N12 Ni2 O8 -","- C6 H28 N12 Ni2 O8 -","1","0.5","FP3038","Liu, Feng-Yi; Zhou, Dong-Mei; Zhao, Xiao-Lan; Kou, Jun-Feng","Complexes of nickel(II) and copper(II) with 1,2,4-triazole-3-carboxylic acid and of cobalt(III) with 3-amino-1,2,4-triazole-5-carboxylic acid","Acta Crystallographica Section C","2017","73","11","1010","1016","10.1107/S2053229617012943","","","0.71073","MoKα","","0.0294","0.0275","","","0.07","0.0711","","","","","","1.06","","","","has coordinates,has Fobs","205307","2020-10-21","18:00:00",""
"2020906","7.2183","0.0014","7.4079","0.0015","9.887","0.002","72.45","0.03","68.82","0.03","62.74","0.03","432.3","0.2","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","<i>catena</i>-Poly[[[diamminediaquacopper(II)]-μ-1,2,4-triazol-4-ide-3-carboxylato-κ^3^<i>N</i>^1^:<i>N</i>^4^,<i>O</i>-[diamminecopper(II)]-μ-1,2,4-triazol-4-ide-3-carboxylato-κ^3^<i>N</i>^4^,<i>O</i>:<i>N</i>^1^] dihydrate]","","- C3 H11 Cu N5 O4 -","- C3 H11 Cu N5 O4 -","- C6 H22 Cu2 N10 O8 -","2","1","FP3038","Liu, Feng-Yi; Zhou, Dong-Mei; Zhao, Xiao-Lan; Kou, Jun-Feng","Complexes of nickel(II) and copper(II) with 1,2,4-triazole-3-carboxylic acid and of cobalt(III) with 3-amino-1,2,4-triazole-5-carboxylic acid","Acta Crystallographica Section C","2017","73","11","1010","1016","10.1107/S2053229617012943","","","0.71073","MoKα","","0.0576","0.0521","","","0.1392","0.145","","","","","","1.036","","","","has coordinates,has Fobs","205307","2020-10-21","18:00:00",""
"2020907","7.0765","0.0014","12.676","0.003","20.591","0.004","90","","98.7","0.03","90","","1825.8","0.7","293","2","293","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","(μ-5-Amino-1,2,4-triazol-1-ide-3-carboxylato-κ^2^<i>N</i>^1^:<i>N</i>^2^)di-μ-hydroxido-κ^4^<i>O</i>:<i>O</i>-bis[triamminecobalt(III)] nitrate hydroxide trihydrate","","- C3 H29 Co2 N11 O11 -","- C3 H29 Co2 N11 O11 -","- C12 H116 Co8 N44 O44 -","4","1","FP3038","Liu, Feng-Yi; Zhou, Dong-Mei; Zhao, Xiao-Lan; Kou, Jun-Feng","Complexes of nickel(II) and copper(II) with 1,2,4-triazole-3-carboxylic acid and of cobalt(III) with 3-amino-1,2,4-triazole-5-carboxylic acid","Acta Crystallographica Section C","2017","73","11","1010","1016","10.1107/S2053229617012943","","","0.71073","MoKα","","0.0338","0.0308","","","0.0825","0.0843","","","","","","1.058","","","","has coordinates,has Fobs","205307","2020-10-21","18:00:00",""
"2020908","11.5305","0.0006","8.2823","0.0004","11.502","0.0006","90","","118.304","0.007","90","","967.11","0.11","298.15","","298.15","","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","3,4,5-Triflurophenylboronic acid‒urea (1/1)","3,4,5-Triflurophenylboronic acid‒carbonic diamide (1/1)","","- C7 H8 B F3 N2 O3 -","- C7 H8 B F3 N2 O3 -","- C28 H32 B4 F12 N8 O12 -","4","1","LY3050","Kopczyńska, Karolina; Marek, Paulina H.; Banaś, Bartłomiej; Madura, Izabela D.","Synthon preference in the cocrystal of 3,4,5-trifluorophenylboronic acid with urea","Acta Crystallographica Section C","2017","73","11","889","895","10.1107/S2053229617013675","","","1.54184","CuKα","","0.0451","0.0341","","","0.0827","0.0903","","","","","","1.041","","","","has coordinates,has Fobs","205308","2020-10-21","18:00:00",""
"2020909","2.5408","0.0003","2.5408","0.0003","7.5989","0.0009","90","","90","","120","","42.484","0.009","293","2","293","2","","","","","","","","3","P -6 m 2","P -6 2","187","","Lithium boron tricarbide","","- C3 B Li0.96 -","- C3 B Li0.98 -","- C3 B Li0.98 -","1","0.0833333","","Milashius, Viktoria; Pavlyuk, Volodymyr; Kluziak, Karolina; Dmytriv, Grygoriy; Ehrenberg, Helmut","LiBC~3~: a new borocarbide based on graphene and heterographene networks","Acta Crystallographica Section C","2017","73","11","984","989","10.1107/S2053229617015182","","","0.71073","MoKα","","0.0348","0.0323","","","0.0959","0.0984","","","","","","1.231","","","","has coordinates,has Fobs","205309","2020-10-21","18:00:00",""
"2020910","8.596","","11.217","","15.161","","92.88","","104.12","","91.19","","1415.06","","293","2","293","2","","","","","","","","8","P -1","-P 1","2","","<i>fac</i>-Tricarbonyl[2-(pyridin-2-yl)-1,3-benzothiazole-κ^2^<i>N</i>,<i>N</i>'](4-vinylpyridine-κ<i>N</i>)rhenium(I) trifluoromethanesulfonate","","- C24 H17 Cl2 F3 N3 O6 Re S2 -","- C24 H17 Cl2 F3 N3 O6 Re S2 -","- C48 H34 Cl4 F6 N6 O12 Re2 S4 -","2","1","OV3097","Pinto, Miguel; Chakraborty, Indranil; Martinez-Gonzalez, Jorge; Mascharak, Pradip","Synthesis and structures of photoactive rhenium carbonyl complexes derived from 2-(pyridin-2-yl)-1,3-benzothiazole, 2-(quinolin-2-yl)-1,3-benzothiazole and 1,10-phenanthroline","Acta Crystallographica Section C","2017","73","11","923","929","10.1107/S2053229617014644","","","0.71073","MoKα","","0.0216","0.0204","","","0.0508","0.0514","","","","","","1.035","","","","has coordinates","205310","2020-10-21","18:00:00",""
"2020911","12.814","0.003","12.088","0.002","18.248","0.004","90","","96.56","0.03","90","","2808","1","273","2","273","2","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","<i>fac</i>-Tricarbonyl[2-(quinolin-2-yl)-1,3-benzothiazole-κ^2^<i>N</i>,<i>N</i>'](4-vinylpyridine-κ<i>N</i>)rhenium(I) trifluoromethanesulfonate 0.28-hydrate","","- C27 H17 F3 N3 O6.28 Re S2 -","- C27.001 H17 F3.003 N3 O6.282 Re S2.001 -","- C108.004 H68 F12.012 N12 O25.128 Re4 S8.004 -","4","1","OV3097","Pinto, Miguel; Chakraborty, Indranil; Martinez-Gonzalez, Jorge; Mascharak, Pradip","Synthesis and structures of photoactive rhenium carbonyl complexes derived from 2-(pyridin-2-yl)-1,3-benzothiazole, 2-(quinolin-2-yl)-1,3-benzothiazole and 1,10-phenanthroline","Acta Crystallographica Section C","2017","73","11","923","929","10.1107/S2053229617014644","","","0.71073","MoKα","","0.0598","0.0424","","","0.0978","0.1042","","","","","","1.039","","","","has coordinates,has disorder,has Fobs","205310","2020-10-21","18:00:00",""
"2020912","12.398","0.002","12.878","0.003","15.393","0.003","90","0.03","91.83","0.03","90","0.03","2456.4","0.8","296","2","296","2","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","<i>fac</i>-Tricarbonyl[1,10-phenanthroline-κ^2^<i>N</i>,<i>N</i>'](4-vinylpyridine-κ<i>N</i>)rhenium(I) trifluoromethanesulfonate","","- C23 H15 F3 N3 O6 Re S -","- C23 H15 F3 N3 O6 Re S -","- C92 H60 F12 N12 O24 Re4 S4 -","4","1","OV3097","Pinto, Miguel; Chakraborty, Indranil; Martinez-Gonzalez, Jorge; Mascharak, Pradip","Synthesis and structures of photoactive rhenium carbonyl complexes derived from 2-(pyridin-2-yl)-1,3-benzothiazole, 2-(quinolin-2-yl)-1,3-benzothiazole and 1,10-phenanthroline","Acta Crystallographica Section C","2017","73","11","923","929","10.1107/S2053229617014644","","","0.71073","MoKα","","0.0216","0.0188","","","0.0447","0.046","","","","","","1.058","","","","has coordinates,has disorder,has Fobs","205310","2020-10-21","18:00:00",""
"2020913","10.5928","0.0005","10.7082","0.0005","12.4943","0.0006","69.019","0.004","71.705","0.004","88.11","0.003","1251.32","0.11","293","2","293","2","","","","","","","","6","P -1","-P 1","2","","(Pyridin-2-one-κ<i>O</i>)bis(4,4,4-trifluoro-3-oxo-1-phenylbutan-1-olato-κ^2^<i>O</i>,<i>O</i>')copper(II)","","- C25 H17 Cu F6 N O5 -","- C25 H17 Cu F6 N O5 -","- C50 H34 Cu2 F12 N2 O10 -","2","1","KU3208","Perdih, Franc","Copper(II) bis(4,4,4-trifluoro-1-phenylbutane-1,3-dionate) complexes with pyridin-2-one, 3-hydroxypyridine and 3-hydroxypyridin-2-one ligands: molecular structures and hydrogen-bonded networks","Acta Crystallographica Section C","2017","73","11","960","967","10.1107/S2053229617014875","","","0.71073","MoKα","","0.109","0.0517","","","0.0993","0.1182","","","","","","0.986","","","","has coordinates,has Fobs","205311","2020-10-21","18:00:00",""
"2020914","10.0085","0.0003","14.154","0.0005","11.2503","0.0003","90","","110.022","0.004","90","","1497.4","0.09","293","2","293","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","Bis(pyridin-3-ol-κ<i>O</i>)bis(4,4,4-trifluoro-3-oxo-1-phenylbutan-1-olato-κ^2^<i>O</i>,<i>O</i>')copper(II)","","- C30 H22 Cu F6 N2 O6 -","- C30 H22 Cu F6 N2 O6 -","- C60 H44 Cu2 F12 N4 O12 -","2","0.5","KU3208","Perdih, Franc","Copper(II) bis(4,4,4-trifluoro-1-phenylbutane-1,3-dionate) complexes with pyridin-2-one, 3-hydroxypyridine and 3-hydroxypyridin-2-one ligands: molecular structures and hydrogen-bonded networks","Acta Crystallographica Section C","2017","73","11","960","967","10.1107/S2053229617014875","","","1.54184","CuKα","","0.0546","0.048","","","0.1412","0.1493","","","","","","1.031","","","","has coordinates,has disorder,has Fobs","205311","2020-10-21","18:00:00",""
"2020915","7.595","0.0003","9.6764","0.0004","10.7507","0.0004","108.71","0.002","101.727","0.002","93.65","0.002","725.61","0.05","293","2","293","2","","","","","","","","6","P -1","-P 1","2","","Bis(3-hydroxypyridin-2-one-κ<i>O</i>)bis(4,4,4-trifluoro-3-oxo-1-phenylbutan-1-olato-κ^2^<i>O</i>,<i>O</i>')copper(II)","","- C30 H22 Cu F6 N2 O8 -","- C30 H22 Cu F6 N2 O8 -","- C30 H22 Cu F6 N2 O8 -","1","0.5","KU3208","Perdih, Franc","Copper(II) bis(4,4,4-trifluoro-1-phenylbutane-1,3-dionate) complexes with pyridin-2-one, 3-hydroxypyridine and 3-hydroxypyridin-2-one ligands: molecular structures and hydrogen-bonded networks","Acta Crystallographica Section C","2017","73","11","960","967","10.1107/S2053229617014875","","","0.71073","MoKα","","0.041","0.0328","","","0.0808","0.086","","","","","","1.035","","","","has coordinates,has disorder,has Fobs","205311","2020-10-21","18:00:00",""
"2020916","7.3585","0.0015","8.796","0.0018","17.619","0.003","79.56","0.03","84.69","0.03","78.96","0.03","1098.8","0.4","293","2","293","2","","","","","","","","4","P -1","-P 1","2","","Poly[benzyltriethylammonium [tri-μ-dicyanamido-κ^6^<i>N</i>^1^:<i>N</i>^5^-cadmium(II)]]","","- C19 H22 Cd N10 -","- C19 H22 Cd N10 -","- C38 H44 Cd2 N20 -","2","1","CU3115","Lu, Yang; Liao, Wei-Qiang; Hua, Xiu-Ni","A new two-dimensional polymeric cadmium(II) complex containing dicyanamide bridging ligands","Acta Crystallographica Section C","2017","73","11","885","888","10.1107/S2053229617013614","","","0.71073","MoKα","","0.0858","0.0442","","","0.0823","0.0946","","","","","","1.018","","","","has coordinates,has disorder,has Fobs","205312","2020-10-21","18:00:00",""
"2020917","9.207","0.0002","8.21","0.0002","28.27","0.0007","90","","90","","90","","2136.91","0.09","100","2","100","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","(<i>R</i>,<i>S</i>)-(2<i>E</i>)-<i>N</i>-(2-Hydroxypropyl)-3-phenylprop-2-enamide","","- C12 H15 N O2 -","- C12 H15 N O2 -","- C96 H120 N8 O16 -","8","1","YP3145","Żesławska, Ewa; Nitek, Wojciech; Marona, Henryk; Gunia-Krzyżak, Agnieszka","Crystallographic studies of cinnamamide derivatives as a means of searching for anticonvulsant activity","Acta Crystallographica Section C","2017","73","11","953","959","10.1107/S2053229617013845","","","0.71073","MoKα","","0.0504","0.0397","","","0.0928","0.0983","","","","","","1.047","","","","has coordinates,has Fobs","205313","2020-10-21","18:00:00",""
"2020918","10.627","0.0004","9.249","0.0004","24.623","0.0009","90","","90","","90","","2420.17","0.16","100","2","100","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","(<i>R</i>,<i>S</i>)-(2<i>E</i>)-<i>N</i>-(1-Hydroxybutan-2-yl)-3-phenylprop-2-enamide","","- C13 H17 N O2 -","- C13 H17 N O2 -","- C104 H136 N8 O16 -","8","1","YP3145","Żesławska, Ewa; Nitek, Wojciech; Marona, Henryk; Gunia-Krzyżak, Agnieszka","Crystallographic studies of cinnamamide derivatives as a means of searching for anticonvulsant activity","Acta Crystallographica Section C","2017","73","11","953","959","10.1107/S2053229617013845","","","0.71073","MoKα","","0.0712","0.0482","","","0.1242","0.1371","","","","","","1.038","","","","has coordinates,has Fobs","205313","2020-10-21","18:00:00",""
"2020919","14.294","0.0007","11.448","0.0006","16.112","0.0009","90","","110.158","0.003","90","","2475","0.2","100","2","100","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","(2<i>E</i>)-1-(4-hydroxypiperidin-1-yl)-3-phenylprop-2-en-1-one","","- C14 H17 N O2 -","- C14 H17 N O2 -","- C112 H136 N8 O16 -","8","2","YP3145","Żesławska, Ewa; Nitek, Wojciech; Marona, Henryk; Gunia-Krzyżak, Agnieszka","Crystallographic studies of cinnamamide derivatives as a means of searching for anticonvulsant activity","Acta Crystallographica Section C","2017","73","11","953","959","10.1107/S2053229617013845","","","0.71073","MoKα","","0.0833","0.0514","","","0.1122","0.1282","","","","","","1.039","","","","has coordinates,has Fobs","205313","2020-10-21","18:00:00",""
"2020920","9.3874","0.0004","10.5102","0.0004","15.4295","0.0006","71.167","0.001","83.335","0.002","87.73","0.001","1431.09","0.1","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","6-Amino-5-chloro-2,4-dimethylpyridin-1-ium 5-chloro-2-hydroxybenzoate","","- C13 H13 Cl2 N3 O3 -","- C13 H13 Cl2 N3 O3 -","- C52 H52 Cl8 N12 O12 -","4","2","YF3127","Rajam, Ammaiyappan; Muthiah, P. Thomas; Butcher, Ray J.; Jasinski, Jerry P.; Glidewell, Christopher","Cation tautomerism, twinning and disorder in the triclinic and monoclinic forms of 4-amino-5-chloro-2,6-dimethylpyrimidinium 5-chloro-2-hydroxybenzoate and a new disordered refinement of 2-amino-4,6-dimethoxypyrimidin-1-ium thiophene-2-carboxylate","Acta Crystallographica Section C","2017","73","11","862","868","10.1107/S2053229617013481","","","1.54178","CuKα","","0.0371","0.0322","","","0.0771","0.0812","","","","","","1.068","","","","has coordinates,has Fobs","205314","2020-10-21","18:00:00",""
"2020921","24.7483","0.0012","6.9525","0.0003","18.1423","0.0008","90","","111.5","0.003","90","","2904.4","0.2","100","2","100","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","4-Amino-5-chloro-2,6-dimethylpyridin-1-ium 5-chloro-2-hydroxybenzoate","","- C13 H13 Cl2 N3 O3 -","- C13 H13 Cl2 N3 O3 -","- C104 H104 Cl16 N24 O24 -","8","2","YF3127","Rajam, Ammaiyappan; Muthiah, P. Thomas; Butcher, Ray J.; Jasinski, Jerry P.; Glidewell, Christopher","Cation tautomerism, twinning and disorder in the triclinic and monoclinic forms of 4-amino-5-chloro-2,6-dimethylpyrimidinium 5-chloro-2-hydroxybenzoate and a new disordered refinement of 2-amino-4,6-dimethoxypyrimidin-1-ium thiophene-2-carboxylate","Acta Crystallographica Section C","2017","73","11","862","868","10.1107/S2053229617013481","","","1.54178","CuKα","","0.0427","0.0384","","","0.1009","0.1038","","","","","","1.038","","","","has coordinates,has disorder,has Fobs","205314","2020-10-21","18:00:00",""
"2020922","6.7335","0.0003","7.6307","0.0004","25.0638","0.001","90","","93.928","0.004","90","","1284.79","0.1","173","2","173","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","2-Amino-4,6-dimethoxypyrimidin-1ium thiophene-2-carboxylate","","- C11 H13 N3 O4 S -","- C11 H13 N3 O4 S -","- C44 H52 N12 O16 S4 -","4","1","YF3127","Rajam, Ammaiyappan; Muthiah, P. Thomas; Butcher, Ray J.; Jasinski, Jerry P.; Glidewell, Christopher","Cation tautomerism, twinning and disorder in the triclinic and monoclinic forms of 4-amino-5-chloro-2,6-dimethylpyrimidinium 5-chloro-2-hydroxybenzoate and a new disordered refinement of 2-amino-4,6-dimethoxypyrimidin-1-ium thiophene-2-carboxylate","Acta Crystallographica Section C","2017","73","11","862","868","10.1107/S2053229617013481","","","0.71073","MoKα","","0.0715","0.0474","","","0.1063","0.1193","","","","","","1.024","","","","has coordinates,has disorder,has Fobs","205314","2020-10-21","18:00:00",""
"2020923","12.2643","0.0001","12.2643","0.0001","12.2643","0.0001","90","","90","","90","","1844.71","0.03","296","2","296","2","","","","","","","","5","I -4 3 d","I -4bd 2c 3","220","","Tricaesium lithium dizinc tetrakis(tetraoxotungstate)","","- Cs3 Li O16 W4 Zn2 -","- Cs3 Li0.99 O16 W4 Zn2.01 -","- Cs12 Li3.96 O64 W16 Zn8.04 -","4","0.0833333","LY3054","Solodovnikov, Sergey F.; Solodovnikova, Zoya A.; Zolotova, Evgeniya S.; Kadyrova, Yulia M.; Savina, Aleksandra A.; Stefanovich, Sergey Yu.; Khaikina, Elena G.","Cs~3~LiZn~2~(WO~4~)~4~ and Rb~3~Li~2~Ga(MoO~4~)~4~: different filled derivatives of the cation-deficient Cs~6~Zn~5~(MoO~4~)~8~ structure","Acta Crystallographica Section C","2017","73","11","946","952","10.1107/S205322961701378X","","","0.71073","MoKα","","0.0181","0.0176","","","0.0345","0.0346","","","","","","1.388","","","","has coordinates,has Fobs","205315","2020-10-21","18:00:00",""
"2020924","11.8635","0.0003","11.8635","0.0003","11.8932","0.0004","90","","90","","90","","1673.88","0.08","296","2","296","2","","","","","","","","5","I -4 2 d","I -4 2bw","122","","Tricaesium dilithium gallium tetrakis(tetraoxomolybdate)","","- Ga Li2 Mo4 O16 Rb3 -","- Ga Li2 Mo4 O16 Rb3 -","- Ga4 Li8 Mo16 O64 Rb12 -","4","0.25","LY3054","Solodovnikov, Sergey F.; Solodovnikova, Zoya A.; Zolotova, Evgeniya S.; Kadyrova, Yulia M.; Savina, Aleksandra A.; Stefanovich, Sergey Yu.; Khaikina, Elena G.","Cs~3~LiZn~2~(WO~4~)~4~ and Rb~3~Li~2~Ga(MoO~4~)~4~: different filled derivatives of the cation-deficient Cs~6~Zn~5~(MoO~4~)~8~ structure","Acta Crystallographica Section C","2017","73","11","946","952","10.1107/S205322961701378X","","","0.71073","MoKα","","0.0234","0.0217","","","0.056","0.0564","","","","","","1.07","","","","has coordinates,has Fobs","205315","2020-10-21","18:00:00",""
"2020925","12.519","0.003","12.594","0.003","19.975","0.004","80.12","0.03","89.69","0.03","68.02","0.03","2871.2","1.3","100","2","100","","","","","","","","","3","P -1","-P 1","2","","3-(2<i>H</i>-1,3-Benzodioxol-5-yl)-6-methoxy-8,8-dimethyl-4<i>H</i>,8<i>H</i>-pyrano[2,3-<i>h</i>]chromen-4-one‒ (2<i>E</i>)-1-(4-{[(2<i>E</i>)-3,7-dimethylocta-2,6-dien-1-yl]oxy}-2-hydroxyphenyl)-3-(4-hydroxyphenyl)prop-2-en-1-one‒ethanol (2/1/0.13)","","- C69.27 H64.81 O16.14 -","- C69.2692 H64.8076 O16.1346 -","- C138.538 H129.615 O32.2692 -","2","1","QS3066","Vinokur, Anastasiya I.; White, Paul B.; Fotsing, Maurice Tagatsing; Arderne, Charmaine; Ndinteh, Derek Tantoh; Vestling, Martha M.; Guzei, Ilia A.","Deciphering composition and connectivity of a natural product with the assistance of MS and 2D NMR","Acta Crystallographica Section C","2017","73","11","994","1002","10.1107/S2053229617014966","","","0.71073","MoKα","","0.102","0.0572","","","0.1411","0.1646","","","","","","1.033","","","","has coordinates,has disorder,has Fobs","205316","2020-10-21","18:00:00",""
"2020926","11.96","0.004","9.025","0.003","14.981","0.004","90","","96.768","0.006","90","","1605.8","0.9","296","2","296","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","(<i>E</i>)-4-(5-Bromo-2-hydroxybenzylidene)-6-hydroxy-8-methoxy-3,4-dihydrobenzo[<i>b</i>]oxepin-5(2<i>H</i>)-one","","- C18 H15 Br O5 -","- C18 H15 Br O5 -","- C72 H60 Br4 O20 -","4","1","SK3671","Li, Ning; Yao, Binrong; Wang, Chunhua; Meng, Qingguo; Hou, Guige","Synthesis, crystal structure and activity evaluation of novel 3,4-dihydro-1-benzoxepin-5(2<i>H</i>)-one derivatives as protein‒tyrosine kinase (PTK) inhibitors","Acta Crystallographica Section C","2017","73","11","1003","1009","10.1107/S2053229617015145","","","0.71073","MoKα","","0.0636","0.0383","","","0.0838","0.0941","","","","","","1.022","","","","has coordinates,has Fobs","205317","2020-10-21","18:00:00",""
"2020927","5.4784","0.0005","5.9139","0.0006","30.379","0.003","90","","92.54","0.007","90","","983.27","0.17","200","1","200","1","","","","","","","","5","P 1 21/n 1","-P 2yn","14","sodium (4-fluorophenoxy)acetate dihydrate","Poly[μ-aqua-aqua-μ-[2-(4-fluorophenoxy)acetato]-κ^3^<i>O</i>^1^,<i>O</i>^2^:<i>O</i>^1'^-sodium]","","- C8 H10 F Na O5 -","- C8 H10 F Na O5 -","- C32 H40 F4 Na4 O20 -","4","1","CU3118","Smith, Graham","Two-dimensional coordination polymeric structures in the sodium, potassium and rubidium complex salts with (4-fluorophenoxy)acetic acid","Acta Crystallographica Section C","2017","73","11","979","983","10.1107/S2053229617014103","","","0.71073","MoKα","","0.0916","0.0636","","","0.1273","0.1426","","","","","","1.087","","","","has coordinates,has Fobs","205318","2020-10-21","18:00:00",""
"2020928","18.3542","0.0015","6.9466","0.0008","6.5969","0.0005","90","","92.995","0.007","90","","839.95","0.13","200","2","200","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","potassium (4-fluorophenoxy)acetate","Poly[μ~5~-[2-(4-fluorophenoxy)acetato]-κ^5^<i>O</i>^1^,<i>O</i>^2^:<i>O</i>^1^,<i>O</i>^1'^:<i>O</i>^1'^:<i>O</i>^1'^:<i>O</i>^1'^-potassium]","","- C8 H6 F K O3 -","- C8 H6 F K O3 -","- C32 H24 F4 K4 O12 -","4","1","CU3118","Smith, Graham","Two-dimensional coordination polymeric structures in the sodium, potassium and rubidium complex salts with (4-fluorophenoxy)acetic acid","Acta Crystallographica Section C","2017","73","11","979","983","10.1107/S2053229617014103","","","0.71073","MoKα","","0.0961","0.0805","","","0.1911","0.1987","","","","","","1.204","","","","has coordinates,has Fobs","205318","2020-10-21","18:00:00",""
"2020929","18.0011","0.0016","7.1625","0.0004","6.8548","0.0004","90","","91.995","0.007","90","","883.27","0.11","200","2","200","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","rubidium (4-fluorophenoxy)acetate","Poly[μ~5~-[2-(4-fluorophenoxy)acetato]-κ^5^<i>O</i>^1^,<i>O</i>^2^:<i>O</i>^1^,<i>O</i>^1'^:<i>O</i>^1'^:<i>O</i>^1'^:<i>O</i>^1'^-rubidium]","","- C8 H6 F O3 Rb -","- C8 H6 F O3 Rb -","- C32 H24 F4 O12 Rb4 -","4","1","CU3118","Smith, Graham","Two-dimensional coordination polymeric structures in the sodium, potassium and rubidium complex salts with (4-fluorophenoxy)acetic acid","Acta Crystallographica Section C","2017","73","11","979","983","10.1107/S2053229617014103","","","0.71073","MoKα","","0.0731","0.0507","","","0.092","0.1009","","","","","","0.968","","","","has coordinates,has Fobs","205318","2020-10-21","18:00:00",""
"2020930","8.4981","0.0017","17.669","0.004","12.658","0.003","90","","100.95","0.03","90","","1866","0.7","223","2","223","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","<i>catena</i>-Poly[[(3,5-dicarboxybenzene-1-carboxylato-κ<i>O</i>^1^)silver(I)]-μ-<i>trans</i>-1-(pyridin-3-yl)-2-(pyridin-4-yl)ethene-κ^2^<i>N</i>:<i>N</i>']","","- C21 H15 Ag N2 O6 -","- C21 H15 Ag N2 O6 -","- C84 H60 Ag4 N8 O24 -","4","1","QS3065","Chen, Jing-Min; Zhou, Qian-Kun; Hou, Yi-Xuan; Liu, Dong","Construction and photocatalytic properties of two metal-mediated coordination polymers based on benzene-1,3,5-tricarboxylic acid and <i>trans</i>-1-(pyridin-3-yl)-2-(pyridin-4-yl)ethene","Acta Crystallographica Section C","2017","73","11","1017","1023","10.1107/S2053229617013444","","","0.71073","MoKα","","0.0314","0.0267","","","0.0667","0.0692","","","","","","1.08","","","","has coordinates,has Fobs","205319","2020-10-21","18:00:00",""
"2020931","9.4176","0.0019","9.861","0.002","12.269","0.003","91.11","0.03","103.34","0.03","117.23","0.03","975.4","0.5","223","2","223","2","","","","","","","","5","P -1","-P 1","2","","Poly[[(μ~3~-5-carboxybenzene-1,3-dicarboxylato-κ^4^<i>O</i>^1^,<i>O</i>^1'^:<i>O</i>^3^:<i>O</i>^3^)[μ-<i>trans</i>-1-(pyridin-3-yl)-2-(pyridin-4-yl)ethene-κ^4^<i>N</i>:<i>N</i>']cadmium(II)] monohydrate]","","- C21 H16 Cd N2 O7 -","- C21 H16 Cd N2 O7 -","- C42 H32 Cd2 N4 O14 -","2","1","QS3065","Chen, Jing-Min; Zhou, Qian-Kun; Hou, Yi-Xuan; Liu, Dong","Construction and photocatalytic properties of two metal-mediated coordination polymers based on benzene-1,3,5-tricarboxylic acid and <i>trans</i>-1-(pyridin-3-yl)-2-(pyridin-4-yl)ethene","Acta Crystallographica Section C","2017","73","11","1017","1023","10.1107/S2053229617013444","","","0.71073","MoKα","","0.0213","0.0202","","","0.0498","0.0508","","","","","","1.135","","","","has coordinates,has Fobs","205319","2020-10-21","18:00:00",""
"2020932","16.2905","0.0005","6.751","0.0002","18.9112","0.0006","90","","98.2024","0.0011","90","","2058.52","0.11","150","2","150","2","","","","","","","","4","P 1 2/c 1","-P 2yc","13","","2-[Bis(diisopropylphosphanyl)methyl]-6-methylpyridine","","- C19 H35 N P2 -","- C19 H35 N P2 -","- C76 H140 N4 P8 -","4","1","OV3095","Han, Delong; Andres, Benjamin; Spannenberg, Anke; Beweries, Torsten","Synthesis and coordination chemistry of the PPN ligand 2-[bis(diisopropylphosphanyl)methyl]-6-methylpyridine","Acta Crystallographica Section C","2017","73","11","917","922","10.1107/S205322961701261X","","","0.71073","MoKα","","0.0429","0.0345","","","0.0889","0.0959","","","","","","1.023","","","","has coordinates,has Fobs","205320","2020-10-21","18:00:00",""
"2020933","8.2907","0.0001","10.7222","0.0002","13.6434","0.0002","87.0826","0.0006","80.8448","0.0006","75.7315","0.0006","1160.35","0.03","150","2","150","2","","","","","","","","6","P -1","-P 1","2","","{2-[Bis(diisopropylphosphanyl)methyl]-6-methylpyridine-κ^2^<i>P</i>,<i>N</i>}dichloridoiron(II)","","- C19 H35 Cl2 Fe N P2 -","- C19 H35 Cl2 Fe N P2 -","- C38 H70 Cl4 Fe2 N2 P4 -","2","1","OV3095","Han, Delong; Andres, Benjamin; Spannenberg, Anke; Beweries, Torsten","Synthesis and coordination chemistry of the PPN ligand 2-[bis(diisopropylphosphanyl)methyl]-6-methylpyridine","Acta Crystallographica Section C","2017","73","11","917","922","10.1107/S205322961701261X","","","0.71073","MoKα","","0.0282","0.0254","","","0.0673","0.0693","","","","","","1.047","","","","has coordinates,has Fobs","205320","2020-10-21","18:00:00",""
"2020934","8.2603","0.0002","10.722","0.0003","13.6314","0.0003","86.8728","0.001","80.5491","0.001","75.6607","0.001","1153.68","0.05","150","2","150","2","","","","","","","","6","P -1","-P 1","2","","{2-[Bis(diisopropylphosphanyl)methyl]-6-methylpyridine-κ^2^<i>P</i>,<i>N</i>}Dichloridocobalt(II)","","- C19 H35 Cl2 Co N P2 -","- C19 H35 Cl2 Co N P2 -","- C38 H70 Cl4 Co2 N2 P4 -","2","1","OV3095","Han, Delong; Andres, Benjamin; Spannenberg, Anke; Beweries, Torsten","Synthesis and coordination chemistry of the PPN ligand 2-[bis(diisopropylphosphanyl)methyl]-6-methylpyridine","Acta Crystallographica Section C","2017","73","11","917","922","10.1107/S205322961701261X","","","0.71073","MoKα","","0.0351","0.0292","","","0.0719","0.076","","","","","","1.036","","","","has coordinates,has Fobs","205320","2020-10-21","18:00:00",""
"2020935","10.6732","0.0005","15.6935","0.0008","15.1651","0.0007","90","","96.0732","0.0008","90","","2525.9","0.2","150","2","150","2","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","{2-[Bis(diisopropylphosphanyl)methyl]-6-methylpyridine-\ κ^2^<i>P</i>,<i>P</i>'}bromidotricarbonylmanganese(I)","","- C22 H35 Br Mn N O3 P2 -","- C22 H35 Br Mn N O3 P2 -","- C88 H140 Br4 Mn4 N4 O12 P8 -","4","1","OV3095","Han, Delong; Andres, Benjamin; Spannenberg, Anke; Beweries, Torsten","Synthesis and coordination chemistry of the PPN ligand 2-[bis(diisopropylphosphanyl)methyl]-6-methylpyridine","Acta Crystallographica Section C","2017","73","11","917","922","10.1107/S205322961701261X","","","0.71073","MoKα","","0.0277","0.025","","","0.0643","0.0661","","","","","","1.019","","","","has coordinates,has Fobs","205320","2020-10-21","18:00:00",""
"2020936","8.7119","0.0017","10.318","0.002","10.961","0.002","83.47","0.03","82.91","0.03","84.71","0.03","968.3","0.3","223","2","223","2","","","","","","","","5","P -1","-P 1","2","","Poly[μ-adipato-κ^2^<i>O</i>^1^:<i>O</i>^4^-μ-adipato-κ^4^<i>O</i>^1^,<i>O</i>^1'^:<i>O</i>^4^,<i>O</i>^4'^-diaquabis[μ-1,4-bis(pyridin-4-yl)-1,3-butadiene-κ^2^<i>N</i>:<i>N</i>']dicadmium]","","- C20 H22 Cd N2 O5 -","- C20 H22 Cd N2 O5 -","- C40 H44 Cd2 N4 O10 -","2","1","YP3147","Hou, Yi-Xuan; Liu, Dong","A three-dimensional supramolecular framework based on the interlinkage of an interpenetrating diamondoid coordination network","Acta Crystallographica Section C","2017","73","11","869","873","10.1107/S2053229617013560","","","0.71073","MoKα","","0.0301","0.0284","","","0.075","0.0757","","","","","","1.16","","","","has coordinates,has Fobs","205321","2020-10-21","18:00:00",""
"2020937","10.264","0.002","12.066","0.003","13.382","0.003","98.7061","0.0014","110.591","0.0015","113.591","0.0016","1336.8","0.5","173","2","173","2","","","","","","","","5","P -1","-P 1","2","","<i>cis</i>-{<i>N</i>-[(Anthracen-9-yl)methyl]ethane-1,2-diamine}bis(pyridine-\ κ<i>N</i>)platinum(II) dinitrate","","- C27 H28 N6 O6 Pt -","- C27 H28 N6 O6 Pt -","- C54 H56 N12 O12 Pt2 -","2","1","QS3062","Kiwada, Tatsuto; Takayama, Hiroshi; Hirasaki, Aika; Ogawa, Kazuma; Odani, Akira","Asymmetric structure of <i>cis</i>-[<i>N</i>-(9-anthracenylmethyl)-1,2-ethanediamine]dipyridineplatinum(II) dinitrate","Acta Crystallographica Section C","2017","73","11","975","978","10.1107/S2053229617014255","","","0.7107","MoKα","","0.0228","0.0213","","","0.05","0.0503","","","","","","1.041","","","","has coordinates,has Fobs","205322","2020-10-21","18:00:00",""
"2020938","12.3459","0.0006","15.9301","0.0008","14.7454","0.0007","90","","90","","90","","2900","0.2","298","2","298","2","","","","","","","","6","P n m a","-P 2ac 2n","62","","Poly[[hexa-μ~2~-cyanido-κ^12^<i>C</i>:<i>N</i>-pentakis(μ~3~-tetrazolato-κ^3^<i>N</i>^1^:<i>N</i>^2^:<i>N</i>^4^)cobalt(III)tetracopper(II)] monohydrate]","","- C11 H7 Co Cu4 N26 O -","- C11 H5 Co Cu4 N26 -","- C44 H20 Co4 Cu16 N104 -","4","0.5","LF3061","Qin, Ying-Lian; Qin, Jian-Fang; Sun, Hong","A novel tetrazolate- and cyanide-bridged three-dimensional heterometallic coordination polymer: crystal structure, thermal stability and magnetic properties","Acta Crystallographica Section C","2017","73","11","968","974","10.1107/S2053229617014760","","","0.71073","MoKα","","0.0709","0.0548","","","0.1628","0.1762","","","","","","1.12","","","","has coordinates,has Fobs","205323","2020-10-21","18:00:00",""
"2020939","8.8133","0.0019","11.8","0.003","15.404","0.003","96.363","0.005","93.886","0.005","105.518","0.005","1526.1","0.6","200","2","200","2","","","","","","","","7","P -1","-P 1","2","Cu monomer","Aqua(benzyldipicolylamine-κ^3^<i>N</i>,<i>N</i>',<i>N</i>'')bis(trifluoromethanesulfonato-κ<i>O</i>)copper(II) tetrahydrofuran monosolvate","","- C25 H29 Cu F6 N3 O8 S2 -","- C25 H29 Cu F6 N3 O8 S2 -","- C50 H58 Cu2 F12 N6 O16 S4 -","2","1","FP3041","Sivanesan, Dharmalingam; Youn, Min Hye; Park, Ki Tae; Kim, Hak Joo; Grace, Andrews Nirmala; Jeong, Soon Kwan","Mono- and dinuclear Cu^II^ complexes of the benzyldipicolylamine (BDPA) ligand: crystal structure, synthesis and characterization","Acta Crystallographica Section C","2017","73","11","1024","1029","10.1107/S2053229617012785","","","0.71073","MoKα","","0.1262","0.0554","","","0.0913","0.1069","","","","","","0.725","","","","has coordinates","205324","2020-10-21","18:00:00",""
"2020940","8.8793","0.0005","10.5542","0.0006","14.162","0.0008","103.357","0.001","94.115","0.001","102.742","0.001","1248.9","0.12","273","2","273","2","","","","","","","","7","P -1","-P 1","2","Cu dimer","Bis(μ-trifluoromethanesulfonato-κ^2^<i>O</i>:<i>O</i>')bis[(benzyldipicolylamine-κ^3^<i>N</i>,<i>N</i>',<i>N</i>'')(trifluoromethanesulfonato-κ<i>O</i>)copper(II)]","","- C42 H38 Cu2 F12 N6 O12 S4 -","- C42 H38 Cu2 F12 N6 O12 S4 -","- C42 H38 Cu2 F12 N6 O12 S4 -","1","0.5","FP3041","Sivanesan, Dharmalingam; Youn, Min Hye; Park, Ki Tae; Kim, Hak Joo; Grace, Andrews Nirmala; Jeong, Soon Kwan","Mono- and dinuclear Cu^II^ complexes of the benzyldipicolylamine (BDPA) ligand: crystal structure, synthesis and characterization","Acta Crystallographica Section C","2017","73","11","1024","1029","10.1107/S2053229617012785","","","0.71073","MoKα","","0.1293","0.0717","","","0.1595","0.2585","","","","","","1.161","","","","has coordinates","205324","2020-10-21","18:00:00",""
"2020941","12.231","0.006","3.919","0.002","17.968","0.009","90","","92.949","0.009","90","","860.1","0.7","296","2","296.15","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","Bis[amino(hydrazinyl)methylidene]azanium 5,5'-[1,2,4,5-tetrazine-3,6-diylbis(azanediyl)]bis(1<i>H</i>-1,2,3,4-tetrazol-1-ide) dihydrate","","- C6 H20 N22 O2 -","- C6 H20 N22 O2 -","- C12 H40 N44 O4 -","2","0.5","QS3063","Liu, Qing; Chen, Xiang; Cao, Wenli; Yang, Jin; Zhang, Wenhui; Ren, Yinghui; Ma, Haixia; Zhao, Fengqi; Hu, Rongzu","The synthesis, crystal structure and thermal properties of an energetic compound: the hydrated azanium salt of 3,6-bis[(1<i>H</i>-1,2,3,4-tetrazol-5-yl)amino]-1,2,4,5-tetrazine","Acta Crystallographica Section C","2017","73","11","941","945","10.1107/S2053229617014267","","","0.71073","MoKα","","0.0923","0.0574","","","0.1638","0.1817","","","","","","1.062","","","","has coordinates,has disorder,has Fobs","205325","2020-10-21","18:00:00",""
"2021884","17.856","0.008","5.008","0.003","10.264","0.013","90","","106.46","0.05","90","","880.2","1.3","293","2","293","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- H3.94 Li N0.984 O4 S Yb0.005 -","- H3.938 Li N0.9845 O4 S Yb0.00525 -","- H31.504 Li8 N7.876 O32 S8 Yb0.042 -","8","2","YB5013","Sabalisck, N. P.; Guzmán-Afonso, C.; González-Silgo, C.; Torres, M. E.; Pasán, J.; del-Castillo, J.; Ramos-Hernández, D.; Hernández-Suárez, A.; Mestres, L.","Structures and thermal stability of the α-LiNH4SO4 polytypes doped with Er3+ and Yb3+","Acta Crystallographica Section B Structural Science, Crystal Engineering and Materials","2017","73","1","122","","10.1107/S2052520616019028","","","0.71073","MoKα","","0.0671","0.0535","","","0.1354","0.1434","","","","","","1.173","","","","has coordinates","246089","2020-10-21","18:00:00",""
"2021885","10.177","0.015","5.106","0.004","34.234","0.016","90","","90.2","0.1","90","","1779","3","293","2","293","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- H3.843 Li N0.961 O4 S Yb0.013 -","- Li N0.961 O4 S Yb0.01305 -","- Li16 N15.376 O64 S16 Yb0.2088 -","16","4","","Sabalisck, N. P.; Guzmán-Afonso, C.; González-Silgo, C.; Torres, M. E.; Pasán, J.; del-Castillo, J.; Ramos-Hernández, D.; Hernández-Suárez, A.; Mestres, L.","Structures and thermal stability of the α-LiNH4SO4 polytypes doped with Er3+ and Yb3+","Acta Crystallographica Section B Structural Science, Crystal Engineering and Materials","2017","73","1","122","","10.1107/S2052520616019028","","","0.71073","MoKα","","0.1029","0.0603","","","0.1333","0.1632","","","","","","1.197","","","","has coordinates","246089","2020-10-21","18:00:00",""
"2021886","9.0522","0.0004","9.0522","0.0004","9.0522","0.0004","90","","90","","90","","741.76","0.06","365","2","365","2","","","","","","","","5","F m -3 m","-F 4 2 3","225","pentafluorooxovanadium","pentafluorooxovanadium","","- F5 H12 N3 O V -","- F6.0006 H11.9976 N3 V0.9996 -","- F24.0024 H47.9904 N12 V3.9984 -","4","0.0208333","","Udovenko, Anatoly A.; Pogoreltsev, Evgeny I.; Marchenko, Yuri V.; Laptash, Natalia M.","Orientational disorder and phase transitions in ammonium oxofluorovanadates, (NH4)3VOF5 and (NH4)3VO2F4","Acta Crystallographica Section B Structural Science, Crystal Engineering and Materials","2017","73","6","1085","","10.1107/S2052520617012422","","","0.71073","MoKα","","0.0265","0.0247","","","0.0955","0.0993","","","","","","1.007","","","","has coordinates","246112","2020-10-21","18:00:00",""
"2021887","6.2986","0.0003","9.1638","0.0004","18.9044","0.0008","90","","90","","90","","1091.15","0.08","296","2","296","2","","","","","","","","5","I m m m","-I 2 2","71","pentafluorooxovanadium","pentafluorooxovanadium","","- F5 H12 N3 O V -","- F6 N3 V -","- F36 N18 V6 -","6","0.375","","Udovenko, Anatoly A.; Pogoreltsev, Evgeny I.; Marchenko, Yuri V.; Laptash, Natalia M.","Orientational disorder and phase transitions in ammonium oxofluorovanadates, (NH4)3VOF5 and (NH4)3VO2F4","Acta Crystallographica Section B Structural Science, Crystal Engineering and Materials","2017","73","6","1085","","10.1107/S2052520617012422","","","0.71073","MoKα","","0.0526","0.0462","","","0.1356","0.1416","","","","","","1.001","","","","has coordinates","246112","2020-10-21","18:00:00",""
"2021888","6.2738","0.0003","9.1388","0.0004","18.8424","0.0008","90","","90","","90","","1080.33","0.08","296","2","296","2","","","","","","","","5","I 2 2 2","I 2 2","23","tetrafluorodioxovanadium","tetrafluorodioxovanadium","","- F4 H12 N3 O2 V -","- F6 N3 V -","- F36 N18 V6 -","6","0.75","","Udovenko, Anatoly A.; Pogoreltsev, Evgeny I.; Marchenko, Yuri V.; Laptash, Natalia M.","Orientational disorder and phase transitions in ammonium oxofluorovanadates, (NH4)3VOF5 and (NH4)3VO2F4","Acta Crystallographica Section B Structural Science, Crystal Engineering and Materials","2017","73","6","1085","","10.1107/S2052520617012422","","","0.71073","MoKα","","0.0507","0.0443","","","0.1307","0.1386","","","","","","0.979","","","","has coordinates","246112","2020-10-21","18:00:00",""
"2021889","7.763","0.002","5.3386","0.001","11.875","0.002","90","","92.64","0.02","90","","491.62","0.18","295","","295","","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- B2 O5 Sr2 -","- B2 O5 Sr2 -","- B8 O20 Sr8 -","4","1","DQ5023","Volkov, Sergey; Dušek, Michal; Bubnova, Rimma; Krzhizhanovskaya, Maria; Ugolkov, Valery; Obozova, Ekaterina; Filatov, Stanislav","Orientational order-disorder γ ↔ β ↔ α′ ↔ α phase transitions in Sr2B2O5 pyroborate and crystal structures of β and α phases","Acta Crystallographica Section B Structural Science, Crystal Engineering and Materials","2017","73","6","1056","","10.1107/S2052520617012689","","x-ray","0.71069","MoKα","","0.0403","0.0314","","","0.033","0.0352","","","","1.2","1.2","1.17","","","","has coordinates","246113","2020-10-21","18:00:00",""
"2021890","3.882","0.002","5.3386","0.001","11.875","0.002","90","","92.64","0.02","90","","245.84","0.14","295","","295","","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- B2 O5 Sr2 -","- B2 O5 Sr2 -","- B4 O10 Sr4 -","2","0.5","DQ5023","Volkov, Sergey; Dušek, Michal; Bubnova, Rimma; Krzhizhanovskaya, Maria; Ugolkov, Valery; Obozova, Ekaterina; Filatov, Stanislav","Orientational order-disorder γ ↔ β ↔ α′ ↔ α phase transitions in Sr2B2O5 pyroborate and crystal structures of β and α phases","Acta Crystallographica Section B Structural Science, Crystal Engineering and Materials","2017","73","6","1056","","10.1107/S2052520617012689","","x-ray","0.71069","MoKα","","0.0404","0.0314","","","0.0331","0.0353","","","","1.2","1.2","1.17","","","","has coordinates","246113","2020-10-21","18:00:00",""
"2021891","9.4662","0.0011","13.2754","0.0007","11.8671","0.0016","88.815","0.011","91.651","0.011","91.473","0.011","1489.9","0.3","583","","295","","","","","","","","","3","P -1","-P 1","2","","","","- B2 O5 Sr2 -","- B2 O5 Sr2 -","- B24 O60 Sr24 -","12","6","DQ5023","Volkov, Sergey; Dušek, Michal; Bubnova, Rimma; Krzhizhanovskaya, Maria; Ugolkov, Valery; Obozova, Ekaterina; Filatov, Stanislav","Orientational order-disorder γ ↔ β ↔ α′ ↔ α phase transitions in Sr2B2O5 pyroborate and crystal structures of β and α phases","Acta Crystallographica Section B Structural Science, Crystal Engineering and Materials","2017","73","6","1056","","10.1107/S2052520617012689","","x-ray","0.71073","MoKα","","0.1299","0.04","","","0.0402","0.0582","","","","1.22","1.22","1.12","","","","has coordinates","246113","2020-10-21","18:00:00",""
"2021892","3.9001","0.0011","5.3685","0.0007","11.8671","0.0016","89.994","0.011","92.008","0.011","90.038","0.011","248.32","0.08","583","","295","","","","","","","","","3","P -1","-P 1","2","","","","- B2 O5 Sr2 -","- B2 O5 Sr2 -","- B4 O10 Sr4 -","2","1","DQ5023","Volkov, Sergey; Dušek, Michal; Bubnova, Rimma; Krzhizhanovskaya, Maria; Ugolkov, Valery; Obozova, Ekaterina; Filatov, Stanislav","Orientational order-disorder γ ↔ β ↔ α′ ↔ α phase transitions in Sr2B2O5 pyroborate and crystal structures of β and α phases","Acta Crystallographica Section B Structural Science, Crystal Engineering and Materials","2017","73","6","1056","","10.1107/S2052520617012689","","x-ray","0.71073","MoKα","","0.1317","0.0412","","","0.0423","0.0601","","","","1.26","1.26","1.15","","","","has coordinates","246113","2020-10-21","18:00:00",""
"2021893","3.9125","","5.3699","","11.8732","","90","","91.849","","90","","249.323","","668","","295","","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- B2 O5 Sr2 -","- B2 O5 Sr2 -","- B4 O10 Sr4 -","2","0.5","DQ5023","Volkov, Sergey; Dušek, Michal; Bubnova, Rimma; Krzhizhanovskaya, Maria; Ugolkov, Valery; Obozova, Ekaterina; Filatov, Stanislav","Orientational order-disorder γ ↔ β ↔ α′ ↔ α phase transitions in Sr2B2O5 pyroborate and crystal structures of β and α phases","Acta Crystallographica Section B Structural Science, Crystal Engineering and Materials","2017","73","6","1056","","10.1107/S2052520617012689","","x-ray","0.71073","MoKα","","0.0443","0.0299","","","0.0306","0.0355","","","","1.22","1.22","1.25","","","","has coordinates","246113","2020-10-21","18:00:00",""
"2021894","15.7531","0.00005","15.7531","0.00005","15.7531","0.00005","90","","90","","90","","3909.29","0.02","295","","295","","","","","","","","","3","I m -3","-I 2 2 3","204","","","","- Cd113.75 Mg31.37 Yb24 -","- Cd113.75 Mg31.3744 Yb24.01 -","- Cd113.75 Mg31.3744 Yb24.01 -","1","0.0208333","","Yamada, Tsunetomo; Takakura, Hiroyuki; de Boissieu, Marc; Tsai, An-Pang","Atomic structures of ternary Yb‒Cd‒Mg icosahedral quasicrystals and a 1/1 approximant","Acta Crystallographica Section B Structural Science, Crystal Engineering and Materials","2017","73","6","1125","","10.1107/S2052520617013270","","x-ray","0.71073","MoKα","","0.032","0.0295","","","0.0686","0.0698","","","","","","1.174","","","","has coordinates","246114","2020-10-21","18:00:00",""
"2021895","11.3457","0.0012","3.8195","0.0005","6.9699","0.0008","90","","100.359","0.011","90","","297.12","0.06","150","","150","","","","","","","","","3","C 1 2/m 1","-C 2y","12","","","","- O5 Rb2 Ti2 -","- O5 Rb2 Ti2 -","- O10 Rb4 Ti4 -","2","0.25","","Federicci, Rémi; Baptiste, Benoit; Finocchi, Fabio; Popa, Florin; Brohan, Luc; Béneut, Keevin; Giura, Paola; Rousse, Gwenaëlle; Descamps-Mandine, Armel; Douillard, Thierry; Shukla, Abhay; Leridon, Brigitte","The crystal structure of Rb2Ti2O5","Acta Crystallographica Section B Structural Science, Crystal Engineering and Materials","2017","73","6","1142","","10.1107/S2052520617013646","","x-ray","0.71073","MoKα","","0.0537","0.0499","","","0.131","0.1342","","","","","","1.109","","","","has coordinates","246115","2020-10-21","18:00:00",""
"2021896","11.337","0.0013","3.8244","0.0005","6.9946","0.0008","90","","100.308","0.012","90","","298.37","0.06","293","2","293","2","","","","","","","","3","C 1 2/m 1","-C 2y","12","","","","- O5 Rb2 Ti2 -","- O5 Rb2 Ti2 -","- O10 Rb4 Ti4 -","2","0.25","","Federicci, Rémi; Baptiste, Benoit; Finocchi, Fabio; Popa, Florin; Brohan, Luc; Béneut, Keevin; Giura, Paola; Rousse, Gwenaëlle; Descamps-Mandine, Armel; Douillard, Thierry; Shukla, Abhay; Leridon, Brigitte","The crystal structure of Rb2Ti2O5","Acta Crystallographica Section B Structural Science, Crystal Engineering and Materials","2017","73","6","1142","","10.1107/S2052520617013646","","x-ray","0.71073","MoKα","","0.0293","0.0279","","","0.0714","0.0725","","","","","","1.173","","","","has coordinates","246115","2020-10-21","18:00:00",""
"2021897","11.3419","0.0012","3.8198","0.0005","7.0103","0.0008","90","","100.298","0.011","90","","298.82","0.06","400","","400","","","","","","","","","3","C 1 2/m 1","-C 2y","12","","","","- O5 Rb2 Ti2 -","- O5 Rb2 Ti2 -","- O10 Rb4 Ti4 -","2","0.25","","Federicci, Rémi; Baptiste, Benoit; Finocchi, Fabio; Popa, Florin; Brohan, Luc; Béneut, Keevin; Giura, Paola; Rousse, Gwenaëlle; Descamps-Mandine, Armel; Douillard, Thierry; Shukla, Abhay; Leridon, Brigitte","The crystal structure of Rb2Ti2O5","Acta Crystallographica Section B Structural Science, Crystal Engineering and Materials","2017","73","6","1142","","10.1107/S2052520617013646","","x-ray","0.71073","MoKα","","0.04","0.0353","","","0.0893","0.0918","","","","","","1.081","","","","has coordinates","246115","2020-10-21","18:00:00",""
"2021898","20.6578","0.0006","8.922","0.0002","13.9144","0.0005","90","","129.181","0.001","90","","1987.92","0.11","290","","290","","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","2,4,6-triaminopyrimidinium(1+) hydrogen trioxofluorophosphate(1-) (0.73) : 2,4,6-triaminopyrimidinium(2+) trioxofluorophosphate(2-) (0.27) monohydrate","","- C4 H11 F N5 O4 P -","- C4 H11 F N5 O4 P -","- C32 H88 F8 N40 O32 P8 -","8","1","","Matulková, Irena; Fábry, Jan; Němec, Ivan; Císařová, Ivana; Vaněk, Přemysl","Migrating hydrogen in 2,4,6-triaminopyrimidinium(1+) x hydrogen trioxofluorophosphate(−) x monohydrate/2,4,6-triaminopyrimidinium(2+)1‒x trioxofluorophosphate(2‒)1‒x monohydrate (0.0 < x < 0.73) with changing temperature","Acta Crystallographica Section B Structural Science, Crystal Engineering and Materials","2017","73","6","1114","","10.1107/S2052520617014007","","x-ray","0.71073","MoKα","","0.059","0.0377","","","0.0819","0.0861","","","","2.04","2.04","1.83","","","","has coordinates","246117","2020-10-21","18:00:00",""
"2021899","20.6416","0.0007","8.9068","0.0002","13.9075","0.0005","90","","129.118","0.001","90","","1983.77","0.11","280","","280","","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","2,4,6-triaminopyrimidinium(1+) hydrogen trioxofluorophosphate(1-) (0.70) : 2,4,6-triaminopyrimidinium(2+) trioxofluorophosphate(2-) (0.30) monohydrate","","- C4 H11 F N5 O4 P -","- C4 H11 F N5 O4 P -","- C32 H88 F8 N40 O32 P8 -","8","1","","Matulková, Irena; Fábry, Jan; Němec, Ivan; Císařová, Ivana; Vaněk, Přemysl","Migrating hydrogen in 2,4,6-triaminopyrimidinium(1+) x hydrogen trioxofluorophosphate(−) x monohydrate/2,4,6-triaminopyrimidinium(2+)1‒x trioxofluorophosphate(2‒)1‒x monohydrate (0.0 < x < 0.73) with changing temperature","Acta Crystallographica Section B Structural Science, Crystal Engineering and Materials","2017","73","6","1114","","10.1107/S2052520617014007","","x-ray","0.71073","MoKα","","0.0536","0.0356","","","0.083","0.0866","","","","2.15","2.15","1.93","","","","has coordinates","246117","2020-10-21","18:00:00",""
"2021900","20.6339","0.0007","8.8975","0.0002","13.9054","0.0004","90","","129.096","0.001","90","","1981.28","0.1","270","","270","","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","2,4,6-triaminopyrimidinium(1+) hydrogen trioxofluorophosphate(1-) (0.67) : 2,4,6-triaminopyrimidinium(2+) trioxofluorophosphate(2-) (0.33) monohydrate","","- C4 H11 F N5 O4 P -","- C4 H11 F N5 O4 P -","- C32 H88 F8 N40 O32 P8 -","8","1","","Matulková, Irena; Fábry, Jan; Němec, Ivan; Císařová, Ivana; Vaněk, Přemysl","Migrating hydrogen in 2,4,6-triaminopyrimidinium(1+) x hydrogen trioxofluorophosphate(−) x monohydrate/2,4,6-triaminopyrimidinium(2+)1‒x trioxofluorophosphate(2‒)1‒x monohydrate (0.0 < x < 0.73) with changing temperature","Acta Crystallographica Section B Structural Science, Crystal Engineering and Materials","2017","73","6","1114","","10.1107/S2052520617014007","","x-ray","0.71073","MoKα","","0.0484","0.0345","","","0.0802","0.0824","","","","2.23","2.23","2.02","","","","has coordinates","246117","2020-10-21","18:00:00",""
"2021901","20.6096","0.0007","8.8814","0.0003","13.8865","0.0004","90","","129.047","0.001","90","","1974.05","0.11","260","","260","","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","2,4,6-triaminopyrimidinium(1+) hydrogen trioxofluorophosphate(1-) (0.61) : 2,4,6-triaminopyrimidinium(2+) trioxofluorophosphate(2-) (0.39) monohydrate","","- C4 H11 F N5 O4 P -","- C4 H11 F N5 O4 P -","- C32 H88 F8 N40 O32 P8 -","8","1","","Matulková, Irena; Fábry, Jan; Němec, Ivan; Císařová, Ivana; Vaněk, Přemysl","Migrating hydrogen in 2,4,6-triaminopyrimidinium(1+) x hydrogen trioxofluorophosphate(−) x monohydrate/2,4,6-triaminopyrimidinium(2+)1‒x trioxofluorophosphate(2‒)1‒x monohydrate (0.0 < x < 0.73) with changing temperature","Acta Crystallographica Section B Structural Science, Crystal Engineering and Materials","2017","73","6","1114","","10.1107/S2052520617014007","","x-ray","0.71073","MoKα","","0.041","0.0333","","","0.0819","0.0837","","","","2.49","2.49","2.33","","","","has coordinates","246117","2020-10-21","18:00:00",""
"2021902","20.5877","0.0006","8.8673","0.0002","13.8912","0.0004","90","","128.997","0.001","90","","1970.88","0.1","250","","250","","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","2,4,6-triaminopyrimidinium(1+) hydrogen trioxofluorophosphate(1-) (0.60) : 2,4,6-triaminopyrimidinium(2+) trioxofluorophosphate(2-) (0.40) monohydrate","","- C4 H11 F N5 O4 P -","- C4 H11 F N5 O4 P -","- C32 H88 F8 N40 O32 P8 -","8","1","","Matulková, Irena; Fábry, Jan; Němec, Ivan; Císařová, Ivana; Vaněk, Přemysl","Migrating hydrogen in 2,4,6-triaminopyrimidinium(1+) x hydrogen trioxofluorophosphate(−) x monohydrate/2,4,6-triaminopyrimidinium(2+)1‒x trioxofluorophosphate(2‒)1‒x monohydrate (0.0 < x < 0.73) with changing temperature","Acta Crystallographica Section B Structural Science, Crystal Engineering and Materials","2017","73","6","1114","","10.1107/S2052520617014007","","x-ray","0.71073","MoKα","","0.0477","0.0344","","","0.0766","0.0788","","","","2.09","2.09","1.91","","","","has coordinates","246117","2020-10-21","18:00:00",""
"2021903","20.5748","0.0007","8.853","0.0003","13.8869","0.0009","90","","128.962","0.001","90","","1966.83","0.16","240","","240","","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","(2,4,6-triaminopyrimidinium(1+)) hydrogen trioxofluorophosphate(1-) (0.64) : (2,4,6-triaminopyrimidinium(2+)) trioxofluorophosphate(2-) (0.36) monohydrate","","- C4 H11 F N5 O4 P -","- C4 H11 F N5 O4 P -","- C32 H88 F8 N40 O32 P8 -","8","1","","Matulková, Irena; Fábry, Jan; Němec, Ivan; Císařová, Ivana; Vaněk, Přemysl","Migrating hydrogen in 2,4,6-triaminopyrimidinium(1+) x hydrogen trioxofluorophosphate(−) x monohydrate/2,4,6-triaminopyrimidinium(2+)1‒x trioxofluorophosphate(2‒)1‒x monohydrate (0.0 < x < 0.73) with changing temperature","Acta Crystallographica Section B Structural Science, Crystal Engineering and Materials","2017","73","6","1114","","10.1107/S2052520617014007","","x-ray","0.71073","MoKα","","0.0537","0.0352","","","0.0778","0.0816","","","","1.99","1.99","1.8","","","","has coordinates","246117","2020-10-21","18:00:00",""
"2021904","20.5719","0.0006","8.8396","0.0002","13.9003","0.0004","90","","128.924","0.001","90","","1966.53","0.1","230","","230","","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","2,4,6-triaminopyrimidinium(1+) hydrogen trioxofluorophosphate(1-) (0.59) : 2,4,6-triaminopyrimidinium(2+) trioxofluorophosphate(2-) (0.41) monohydrate","","- C4 H11 F N5 O4 P -","- C4 H11 F N5 O4 P -","- C32 H88 F8 N40 O32 P8 -","8","1","","Matulková, Irena; Fábry, Jan; Němec, Ivan; Císařová, Ivana; Vaněk, Přemysl","Migrating hydrogen in 2,4,6-triaminopyrimidinium(1+) x hydrogen trioxofluorophosphate(−) x monohydrate/2,4,6-triaminopyrimidinium(2+)1‒x trioxofluorophosphate(2‒)1‒x monohydrate (0.0 < x < 0.73) with changing temperature","Acta Crystallographica Section B Structural Science, Crystal Engineering and Materials","2017","73","6","1114","","10.1107/S2052520617014007","","x-ray","0.71073","MoKα","","0.0455","0.0339","","","0.08","0.0823","","","","2.17","2.17","2","","","","has coordinates","246117","2020-10-21","18:00:00",""
"2021905","20.5473","0.0007","8.8249","0.0002","13.8851","0.0005","90","","128.914","0.001","90","","1959.04","0.11","220","","220","","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","2,4,6-triaminopyrimidinium(1+) hydrogen trioxofluorophosphate(1-) (0.56) : 2,4,6-triaminopyrimidinium(2+) trioxofluorophosphate(2-) (0.44) monohydrate","","- C4 H11 F N5 O4 P -","- C4 H11 F N5 O4 P -","- C32 H88 F8 N40 O32 P8 -","8","1","","Matulková, Irena; Fábry, Jan; Němec, Ivan; Císařová, Ivana; Vaněk, Přemysl","Migrating hydrogen in 2,4,6-triaminopyrimidinium(1+) x hydrogen trioxofluorophosphate(−) x monohydrate/2,4,6-triaminopyrimidinium(2+)1–x trioxofluorophosphate(2–)1–x monohydrate (0.0 < x < 0.73) with changing temperature","Acta Crystallographica Section B Structural Science, Crystal Engineering and Materials","2017","73","6","1114","","10.1107/S2052520617014007","","x-ray","0.71073","MoKα","","0.0462","0.0337","","","0.0767","0.079","","","","2.12","2.12","1.93","","","","has coordinates","287890","2023-11-30","15:26:28",""
"2021906","20.5418","0.0007","8.812","0.0002","13.8845","0.0009","90","","128.89","0.001","90","","1956.23","0.15","210","","210","","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","2,4,6-triaminopyrimidinium(2+) trioxofluorophosphate(2-) monohydrate","","- C4 H11 F N5 O4 P -","- C4 H11 F N5 O4 P -","- C32 H88 F8 N40 O32 P8 -","8","1","","Matulková, Irena; Fábry, Jan; Němec, Ivan; Císařová, Ivana; Vaněk, Přemysl","Migrating hydrogen in 2,4,6-triaminopyrimidinium(1+) x hydrogen trioxofluorophosphate(−) x monohydrate/2,4,6-triaminopyrimidinium(2+)1‒x trioxofluorophosphate(2‒)1‒x monohydrate (0.0 < x < 0.73) with changing temperature","Acta Crystallographica Section B Structural Science, Crystal Engineering and Materials","2017","73","6","1114","","10.1107/S2052520617014007","","x-ray","0.71073","MoKα","","0.0433","0.0329","","","0.0772","0.0796","","","","2.17","2.17","2.02","","","","has coordinates","246117","2020-10-21","18:00:00",""
"2021907","20.5237","0.0006","8.8033","0.0002","13.8813","0.0004","90","","128.85","0.001","90","","1953.22","0.1","200","","200","","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","2,4,6-triaminopyrimidinium(2+) fluorophosphonate(2-) monohydrate","","- C4 H11 F N5 O4 P -","- C4 H11 F N5 O4 P -","- C32 H88 F8 N40 O32 P8 -","8","1","","Matulková, Irena; Fábry, Jan; Němec, Ivan; Císařová, Ivana; Vaněk, Přemysl","Migrating hydrogen in 2,4,6-triaminopyrimidinium(1+) x hydrogen trioxofluorophosphate(−) x monohydrate/2,4,6-triaminopyrimidinium(2+)1‒x trioxofluorophosphate(2‒)1‒x monohydrate (0.0 < x < 0.73) with changing temperature","Acta Crystallographica Section B Structural Science, Crystal Engineering and Materials","2017","73","6","1114","","10.1107/S2052520617014007","","x-ray","0.71073","MoKα","","0.0331","0.0289","","","0.0757","0.0768","","","","2.56","2.56","2.45","","","","has coordinates","246117","2020-10-21","18:00:00",""
"2021908","20.5134","0.0006","8.7963","0.0002","13.8768","0.0004","90","","128.806","0.001","90","","1951.27","0.1","190","","190","","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","2,4,6-triaminopyrimidinium(2+) fluorophosphonate(2-) monohydrate","","- C4 H11 F N5 O4 P -","- C4 H11 F N5 O4 P -","- C32 H88 F8 N40 O32 P8 -","8","1","","Matulková, Irena; Fábry, Jan; Němec, Ivan; Císařová, Ivana; Vaněk, Přemysl","Migrating hydrogen in 2,4,6-triaminopyrimidinium(1+) x hydrogen trioxofluorophosphate(−) x monohydrate/2,4,6-triaminopyrimidinium(2+)1‒x trioxofluorophosphate(2‒)1‒x monohydrate (0.0 < x < 0.73) with changing temperature","Acta Crystallographica Section B Structural Science, Crystal Engineering and Materials","2017","73","6","1114","","10.1107/S2052520617014007","","x-ray","0.71073","MoKα","","0.042","0.0323","","","0.0786","0.0808","","","","2.18","2.18","2.04","","","","has coordinates","246117","2020-10-21","18:00:00",""
"2021909","20.4891","0.0006","8.7848","0.0002","13.8632","0.0004","90","","128.781","0.001","90","","1945.18","0.1","180","","180","","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","2,4,6-triaminopyrimidinium(2+) fluorophosphonate(2-) monohydrate","","- C4 H11 F N5 O4 P -","- C4 H11 F N5 O4 P -","- C32 H88 F8 N40 O32 P8 -","8","1","","Matulková, Irena; Fábry, Jan; Němec, Ivan; Císařová, Ivana; Vaněk, Přemysl","Migrating hydrogen in 2,4,6-triaminopyrimidinium(1+) x hydrogen trioxofluorophosphate(−) x monohydrate/2,4,6-triaminopyrimidinium(2+)1‒x trioxofluorophosphate(2‒)1‒x monohydrate (0.0 < x < 0.73) with changing temperature","Acta Crystallographica Section B Structural Science, Crystal Engineering and Materials","2017","73","6","1114","","10.1107/S2052520617014007","","x-ray","0.71073","MoKα","","0.0451","0.0339","","","0.0775","0.0798","","","","2.11","2.11","1.97","","","","has coordinates","246117","2020-10-21","18:00:00",""
"2021910","20.5006","0.0007","8.7803","0.0002","13.8618","0.0005","90","","128.797","0.001","90","","1944.64","0.11","170","","170","","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","2,4,6-triaminopyrimidinium(2+) fluorophosphonate(2-) monohydrate","","- C4 H11 F N5 O4 P -","- C4 H11 F N5 O4 P -","- C32 H88 F8 N40 O32 P8 -","8","1","","Matulková, Irena; Fábry, Jan; Němec, Ivan; Císařová, Ivana; Vaněk, Přemysl","Migrating hydrogen in 2,4,6-triaminopyrimidinium(1+) x hydrogen trioxofluorophosphate(−) x monohydrate/2,4,6-triaminopyrimidinium(2+)1‒x trioxofluorophosphate(2‒)1‒x monohydrate (0.0 < x < 0.73) with changing temperature","Acta Crystallographica Section B Structural Science, Crystal Engineering and Materials","2017","73","6","1114","","10.1107/S2052520617014007","","x-ray","0.71073","MoKα","","0.0393","0.031","","","0.0743","0.0763","","","","2.13","2.13","2","","","","has coordinates","246117","2020-10-21","18:00:00",""
"2021911","20.4756","0.0007","8.7798","0.0003","13.8428","0.0005","90","","128.764","0.001","90","","1940.4","0.12","160","","160","","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","2,4,6-triaminopyrimidinium(2+) fluorophosphonate(2-) monohydrate","","- C4 H11 F N5 O4 P -","- C4 H11 F N5 O4 P -","- C32 H88 F8 N40 O32 P8 -","8","1","","Matulková, Irena; Fábry, Jan; Němec, Ivan; Císařová, Ivana; Vaněk, Přemysl","Migrating hydrogen in 2,4,6-triaminopyrimidinium(1+) x hydrogen trioxofluorophosphate(−) x monohydrate/2,4,6-triaminopyrimidinium(2+)1‒x trioxofluorophosphate(2‒)1‒x monohydrate (0.0 < x < 0.73) with changing temperature","Acta Crystallographica Section B Structural Science, Crystal Engineering and Materials","2017","73","6","1114","","10.1107/S2052520617014007","","x-ray","0.71073","MoKα","","0.0425","0.0315","","","0.0772","0.0795","","","","2.11","2.11","1.95","","","","has coordinates","246117","2020-10-21","18:00:00",""
"2021912","20.463","0.0006","8.7767","0.0002","13.8368","0.0005","90","","128.717","0.001","90","","1938.95","0.1","150","","150","","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","2,4,6-triaminopyrimidinium(2+) fluorophosphonate(2-) monohydrate","","- C4 H11 F N5 O4 P -","- C4 H11 F N5 O4 P -","- C32 H88 F8 N40 O32 P8 -","8","1","","Matulková, Irena; Fábry, Jan; Němec, Ivan; Císařová, Ivana; Vaněk, Přemysl","Migrating hydrogen in 2,4,6-triaminopyrimidinium(1+) x hydrogen trioxofluorophosphate(−) x monohydrate/2,4,6-triaminopyrimidinium(2+)1‒x trioxofluorophosphate(2‒)1‒x monohydrate (0.0 < x < 0.73) with changing temperature","Acta Crystallographica Section B Structural Science, Crystal Engineering and Materials","2017","73","6","1114","","10.1107/S2052520617014007","","x-ray","0.71073","MoKα","","0.0387","0.0305","","","0.0782","0.0802","","","","2.21","2.21","2.07","","","","has coordinates","246117","2020-10-21","18:00:00",""
"2021913","20.4273","0.0006","8.7714","0.0002","13.7988","0.0007","90","","128.623","0.001","90","","1931.62","0.12","100","","100","","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","2,4,6-triaminopyrimidinium(2+) fluorophosphonate(2-) monohydrate","","- C4 H11 F N5 O4 P -","- C4 H11 F N5 O4 P -","- C32 H88 F8 N40 O32 P8 -","8","1","","Matulková, Irena; Fábry, Jan; Němec, Ivan; Císařová, Ivana; Vaněk, Přemysl","Migrating hydrogen in 2,4,6-triaminopyrimidinium(1+) x hydrogen trioxofluorophosphate(−) x monohydrate/2,4,6-triaminopyrimidinium(2+)1‒x trioxofluorophosphate(2‒)1‒x monohydrate (0.0 < x < 0.73) with changing temperature","Acta Crystallographica Section B Structural Science, Crystal Engineering and Materials","2017","73","6","1114","","10.1107/S2052520617014007","","x-ray","0.71073","MoKα","","0.0326","0.0279","","","0.0733","0.0744","","","","2.26","2.26","2.16","","","","has coordinates","246117","2020-10-21","18:00:00",""
"2022632","5.9638","0.0002","8.4266","0.0003","11.0246","0.0004","90","","92.779","0.003","90","","553.38","0.03","100","2","100","2","","","","","","","","4","P 1 21 1","P 2yb","4","","3-Hydroxy-2-phenyl-2,3,3a,7a-tetrahydro-1<i>H</i>,5<i>H</i>-pyrano[3,2-<i>b</i>]pyrrol-5-one","","- C13 H13 N O3 -","- C13 H13 N O3 -","- C26 H26 N2 O6 -","2","1","HG5487","Zukerman-Schpector, Julio; Moro, Angélica V.; dos Santos, Marcelo R.; Correia, Carlos Roque D.; Jotani, Mukesh M.; Tiekink, Edward R. T.","3-Hydroxy-2-phenyl-2,3,3a,7a-tetrahydro-1H,5H-pyrano[3,2-b]pyrrol-5-one: crystal structure and Hirshfeld surface analysis","Acta Crystallographica, Section E: Crystallographic Communications","2017","73","5","746","751","10.1107/S2056989017005680","","","0.71073","MoKα","","0.0407","0.0358","","","0.09","0.0935","","","","","","1.026","","","","has coordinates,has Fobs","276692","2022-07-06","21:12:05",""
"2022658","8.8572","0.0004","27.3614","0.0011","7.8306","0.0004","90","","90","","90","","1897.71","0.15","293","2","293","2","","","","","","","","4","P n m a","-P 2ac 2n","62","","<i>DL</i>-Norvalinium hydrogen maleate–<i>DL</i>-norvaline (1/1)","","- C14 H26 N2 O8 -","- C14 H26 N2 O8 -","- C56 H104 N8 O32 -","4","0.5","SK3642","Arkhipov, Sergey G.; Losev, Evgeniy A.; Boldyreva, Elena V.","New 1:1 and 2:1 salts in the 'DL-norvaline–maleic acid' system as an example of assembling various crystal structures from similar supramolecular building blocks","Acta Crystallographica, Section C: Structural Chemistry","2017","73","1","13","19","10.1107/s2053229616018271","","x-ray","0.71073","MoKα","","0.0885","0.0792","","","0.1419","0.1455","","","","","","1.141","","","","has coordinates,has disorder,has Fobs","277497","2022-08-31","14:18:30",""
"2022659","19.6385","0.0015","5.62705","0.00018","23.6867","0.001","90","","108.283","0.006","90","","2485.4","0.2","293","","293","","","","","","","","","4","C 1 2/c 1","-C 2yc","15","<i>DL</i>-Norvalinium hydrogen maleate","<i>DL</i>-Norvalinium hydrogen maleate","","- C9 H15 N O6 -","- C9 H15 N O6 -","- C72 H120 N8 O48 -","8","1","SK3642","Arkhipov, Sergey G.; Losev, Evgeniy A.; Boldyreva, Elena V.","New 1:1 and 2:1 salts in the 'DL-norvaline–maleic acid' system as an example of assembling various crystal structures from similar supramolecular building blocks","Acta Crystallographica, Section C: Structural Chemistry","2017","73","1","13","19","10.1107/s2053229616018271","","","0.71073","MoKα","","0.0856","0.0681","","","0.1559","0.1657","","","","","","1.232","","","","has coordinates,has disorder,has Fobs","277498","2022-08-31","14:19:14",""
"2108027","9.61865","0.00009","5.03554","0.00003","13.75158","0.00013","90","","162.404","0.0003","90","","201.349","0.004","293","","293","","","","","","","","","2","C 1 2/c 1","-C 2yc","15","hematite","","","- Fe2 O3 -","- Fe2 O3 -","- Fe8 O12 -","4","0.5","DQ5016","Fabrykiewicz, P.; Stekiel, M.; Sosnowska, I.; Przeniosło, R.","Deformations of the α-Fe~2~O~3~ rhombohedral lattice across the Néel temperature","Acta Crystallographica Section B","2017","73","1","27","32","10.1107/S2052520616017935","powder diffraction","x-ray","0.40086","synchrotron","","0.0317","0.021","","0.0316","0.0294","","","","1.37","","","","","","","has coordinates,has Fobs","191415","2020-10-21","18:00:00",""
"2108028","9.6892","0.00008","5.08737","0.00002","13.84868","0.00011","90","","162.351","0.0002","90","","206.967","0.003","1053","","1053","","","","","","","","","2","C 1 2/c 1","-C 2yc","15","hematite","","","- Fe2 O3 -","- Fe2 O3 -","- Fe8 O12 -","4","0.5","DQ5016","Fabrykiewicz, P.; Stekiel, M.; Sosnowska, I.; Przeniosło, R.","Deformations of the α-Fe~2~O~3~ rhombohedral lattice across the Néel temperature","Acta Crystallographica Section B","2017","73","1","27","32","10.1107/S2052520616017935","powder diffraction","x-ray","0.40086","synchrotron","","0.0441","0.0312","","0.0404","0.0392","","","","1.49","","","","","","","has coordinates,has Fobs","191415","2020-10-21","18:00:00",""
"2108029","7.9104","0.0009","13.8794","0.0001","7.931","0.0001","90","","114.606","0.006","90","","791.69","0.1","100","2","100.15","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","metformin hydrochloride","","","- C4 H12 Cl N5 -","- C4 H12 Cl N5 -","- C16 H48 Cl4 N20 -","4","1","PI5029","Niranjana Devi, Rajendran; Jelsch, Christian; Israel, Samuel; Aubert, Emmanuel; Anzline, Chellam; Hosamani, Amar A.","Charge density analysis of metformin chloride, a biguanide anti-hyperglycemic agent","Acta Crystallographica Section B","2017","73","1","10","22","10.1107/S2052520616017844","","","0.71073","MoKα","","0.0326","0.0226","","","0.0404","0.0422","","","","","","0.91","","","","has coordinates,has Fobs","191416","2020-10-21","18:00:00",""
"2108030","15.7522","0.0005","22.3326","0.0007","15.5213","0.0005","90","","90","","90","","5460.2","0.3","200","2","200","2","","","","","","","","6","P b c a","-P 2ac 2ab","61","","","","- C22 H24 Br F3 I3 N -","- C22 H24 Br F3 I3 N -","- C176 H192 Br8 F24 I24 N8 -","8","1","XM5005","Szell, Patrick M. J.; Gabidullin, Bulat; Bryce, David L.","1,3,5-Tri(iodoethynyl)-2,4,6-trifluorobenzene: halogen-bonded frameworks and NMR spectroscopic analysis","Acta Crystallographica Section B","2017","73","2","","","10.1107/S2052520617000944","","","0.71073","MoKα","","0.0986","0.0834","","","0.1767","0.1827","","","","","","1.216","","","","has coordinates,has disorder,has Fobs","194251","2020-10-21","18:00:00",""
"2108031","31.434","0.004","14.8275","0.0019","26.724","0.004","90","","116.034","0.007","90","","11192","3","200","2","200","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C22 H24 Br F3 I3 N -","- C22 H24 Br F3 I3 N -","- C352 H384 Br16 F48 I48 N16 -","16","2","XM5005","Szell, Patrick M. J.; Gabidullin, Bulat; Bryce, David L.","1,3,5-Tri(iodoethynyl)-2,4,6-trifluorobenzene: halogen-bonded frameworks and NMR spectroscopic analysis","Acta Crystallographica Section B","2017","73","2","","","10.1107/S2052520617000944","","","0.71073","MoKα","","0.122","0.0494","","","0.1105","0.1378","","","","","","1.017","","","","has coordinates,has disorder,has Fobs","194251","2020-10-21","18:00:00",""
"2108032","10.6026","0.0012","16.3599","0.0019","30.679","0.004","90","","97.626","0.005","90","","5274.4","1.1","200","2","200","2","","","","","","","","7","C 1 2/c 1","-C 2yc","15","","","","- C47 H24 Br F6 I6 N2 P -","- C47 H24 Br F6 I6 N2 P -","- C188 H96 Br4 F24 I24 N8 P4 -","4","0.5","XM5005","Szell, Patrick M. J.; Gabidullin, Bulat; Bryce, David L.","1,3,5-Tri(iodoethynyl)-2,4,6-trifluorobenzene: halogen-bonded frameworks and NMR spectroscopic analysis","Acta Crystallographica Section B","2017","73","2","","","10.1107/S2052520617000944","","","0.71073","MoKα","","0.1636","0.1406","","","0.3706","0.3836","","","","","","1.058","","","","has coordinates,has disorder,has Fobs","194251","2020-10-21","18:00:00",""
"2108033","22.3941","0.0015","22.3941","0.0015","22.3941","0.0015","90","","90","","90","","11230.5","1.3","200","2","200","2","","","","","","","","6","P a -3","-P 2ac 2ab 3","205","","","","- C88 H40 Br2 F12 I12 P2 -","- C87.996 H39.996 Br2 F12 I12 P1.9998 -","- C351.984 H159.984 Br8 F48 I48 P7.9992 -","4","0.166667","XM5005","Szell, Patrick M. J.; Gabidullin, Bulat; Bryce, David L.","1,3,5-Tri(iodoethynyl)-2,4,6-trifluorobenzene: halogen-bonded frameworks and NMR spectroscopic analysis","Acta Crystallographica Section B","2017","73","2","","","10.1107/S2052520617000944","","","0.71073","MoKα","","0.0816","0.0621","","","0.1741","0.1912","","","","","","1.049","","","","has coordinates,has disorder,has Fobs","194251","2020-10-21","18:00:00",""
"2108034","10.5098","0.0005","16.2789","0.0007","30.9417","0.0015","90","","95.6557","0.0019","90","","5268","0.4","200","2","200","2","","","","","","","","8","C 1 2/c 1","-C 2yc","15","","","","- C49 H26 Br F6 I6 N2 O P -","- C49 H26 Br F6 I6 N2 O P -","- C196 H104 Br4 F24 I24 N8 O4 P4 -","4","0.5","XM5005","Szell, Patrick M. J.; Gabidullin, Bulat; Bryce, David L.","1,3,5-Tri(iodoethynyl)-2,4,6-trifluorobenzene: halogen-bonded frameworks and NMR spectroscopic analysis","Acta Crystallographica Section B","2017","73","2","","","10.1107/S2052520617000944","","","0.71073","MoKα","","0.07","0.0656","","","0.1523","0.1546","","","","","","1.121","","","","has coordinates,has disorder,has Fobs","194251","2020-10-21","18:00:00",""
"2108035","10.5544","0.0003","16.4031","0.0004","30.8221","0.0008","90","","96.1095","0.0012","90","","5305.8","0.2","200","2","200","2","","","","","","","","7","C 1 2/c 1","-C 2yc","15","","","","- C52 H26 Br F6 I6 N2 P -","- C52 H26 Br F6 I6 N2 P -","- C208 H104 Br4 F24 I24 N8 P4 -","4","0.5","XM5005","Szell, Patrick M. J.; Gabidullin, Bulat; Bryce, David L.","1,3,5-Tri(iodoethynyl)-2,4,6-trifluorobenzene: halogen-bonded frameworks and NMR spectroscopic analysis","Acta Crystallographica Section B","2017","73","2","","","10.1107/S2052520617000944","","","0.71073","MoKα","","0.0291","0.0252","","","0.0628","0.0646","","","","","","1.006","","","","has coordinates,has Fobs","194251","2020-10-21","18:00:00",""
"2108036","10.7807","0.0005","28.8937","0.0012","14.89","0.0006","90","","93.368","0.002","90","","4630.1","0.3","200","2","200","2","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C45 H27 Br F5 I3 N P -","- C45 H27 Br F5 I3 N P -","- C180 H108 Br4 F20 I12 N4 P4 -","4","1","XM5005","Szell, Patrick M. J.; Gabidullin, Bulat; Bryce, David L.","1,3,5-Tri(iodoethynyl)-2,4,6-trifluorobenzene: halogen-bonded frameworks and NMR spectroscopic analysis","Acta Crystallographica Section B","2017","73","2","","","10.1107/S2052520617000944","","","0.71073","MoKα","","0.053","0.0438","","","0.0985","0.1019","","","","","","1.186","","","","has coordinates,has Fobs","194251","2020-10-21","18:00:00",""
"2108037","10.7103","0.0004","18.0967","0.0006","13.6486","0.0005","90","","96.2767","0.0017","90","","2629.53","0.16","200","2","200","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C31 H24 Br F2 P -","- C31 H24 Br F2 P -","- C124 H96 Br4 F8 P4 -","4","1","XM5005","Szell, Patrick M. J.; Gabidullin, Bulat; Bryce, David L.","1,3,5-Tri(iodoethynyl)-2,4,6-trifluorobenzene: halogen-bonded frameworks and NMR spectroscopic analysis","Acta Crystallographica Section B","2017","73","2","","","10.1107/S2052520617000944","","","0.71073","MoKα","","0.045","0.0318","","","0.085","0.0906","","","","","","1.052","","","","has coordinates,has Fobs","194251","2020-10-21","18:00:00",""
"2108042","7.5817","0.0006","7.6752","0.0007","2.8843","0.0003","90","","90","","90","","167.84","0.03","293","","293","","","","","","","","Sigma Aldrich","3","P b a m","-P 2 2ab","55","Mullite","","","- Al4.847 O9.577 Si1.153 -","- Al3.76851 O7.5 Si0.731492 -","- Al3.76851 O7.5 Si0.731492 -","1","0.125","","Klar, Paul B.; de la Pinta, Noelia; Lopez, Gabriel A.; Etxebarria, Iñigo; Breczewski, Tomasz; Madariaga, Gotzon","Ordered vacancy distribution in 2/1 mullite: a superspace model","Acta Crystallographica Section B","2017","73","3","","","10.1107/S2052520617001652","","x-ray","0.71069","MoKα","","0.0629","0.0354","","","0.0886","0.1115","","","","1.03","1.03","0.98","","","","has coordinates,has Fobs","196647","2020-10-21","18:00:00",""
"2108043","75.817","0.0006","7.6752","0.0007","5.7686","0.0003","90","","90","","90","","3356.8","0.4","","","","","","","","","","","","3","B b 21 m","B -2 -2b","36","2/1 Mullite","","","- Al4.8 O9.6 Si1.2 -","- Al96 O192 Si24 -","- Al96 O192 Si24 -","1","0.125","","Klar, Paul B.; de la Pinta, Noelia; Lopez, Gabriel A.; Etxebarria, Iñigo; Breczewski, Tomasz; Madariaga, Gotzon","Ordered vacancy distribution in 2/1 mullite: a superspace model","Acta Crystallographica Section B","2017","73","3","","","10.1107/S2052520617001652","","","","","","","","","","","","","","","","","","","","","has coordinates","196647","2020-10-21","18:00:00",""
"2108049","19.7808","0.0013","8.9659","0.0006","6.0713","0.0004","90","","90","","90","","1076.76","0.12","293","2","293","2","","","","","","","","4","P 21 21 2","P 2 2ab","18","","","","- C8 H11 N2 O7.5 -","- C8 H11 N2 O7.5 -","- C32 H44 N8 O30 -","4","1","BP5095","Yadav, Harsh; Sinha, Nidhi; Goel, Sahil; Singh, Budhendra; Bdikin, Igor; Saini, Anupama; Gopalaiah, Kovuru; Kumar, Binay","Crystal structure of bis(L-asparaginium hydrogensquarate) monohydrate","Acta Crystallographica, Section B","2017","73","3","347","359","10.1107/S2052520617002906","","","0.71073","MoKα","","0.0381","0.0347","","","0.0842","0.086","","","","","","1.089","","","","has coordinates,has Fobs","218928","2020-10-21","18:00:00",""
"2108050","5.062","0.0004","8.79","0.0007","12.744","0.0013","90","","90","","90","","567.04","0.09","293","","293","","","","","","","","","5","C m c m","-C 2c 2","63","","","","- C2 Ca K0.36 Na1.64 O6 -","- C2 Ca K0.36 Na1.64 O6 -","- C8 Ca4 K1.44 Na6.56 O24 -","4","0.25","","Bolotina, Nadezhda B.; Gavryushkin, Pavel N.; Korsakov, Andrey V.; Rashchenko, Sergey V.; Seryotkin, Yurii V.; Golovin, Alexander V.; Moine, Bertrand N.; Zaitsev, Anatoly N.; Litasov, Konstantin D.","Incommensurately modulated twin structure of nyerereite Na~1.64~K~0.36~Ca(CO~3~)~2~","Acta Crystallographica Section B","2017","73","2","276","284","10.1107/S2052520616020680","","x-ray","0.71073","MoKα","","0.323","0.0699","","","0.0749","0.1521","","","","1.39","1.39","1.02","","","","has coordinates,has Fobs","199044","2020-10-21","18:00:00",""
"2108051","14.563","0.005","6.748","0.002","23.299","0.009","90","","90","","90","","2289.6","1.4","100","2","100","2","","","","","","","","5","P n m a","-P 2ac 2n","62","","","","- C20 H23 N3 O10 S2 -","- C20.0004 H23.0012 N3 O10 S2.0002 -","- C80.0016 H92.0048 N12 O40 S8.0008 -","4","0.5","XK5034","Ikemoto, Kazuto; Mori, Shigeki; Mukai, Kazuo","Synthesis and crystal structure of pyrroloquinoline quinol (PQQH~2~) and pyrroloquinoline quinone (PQQ)","Acta Crystallographica Section B","2017","73","3","489","497","10.1107/S2052520617002281","","","0.71075","MoKα","","0.0637","0.0602","","","0.1319","0.1343","","","","","","1.07","","","","has coordinates,has disorder","199045","2020-10-21","18:00:00",""
"2108052","6.901","0.005","12.371","0.008","28.674","0.018","90","","90","","90","","2448","3","100","2","100","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C20 H24 N2 O11 S3 -","- C20 H24 N2 O11 S3 -","- C80 H96 N8 O44 S12 -","4","1","XK5034","Ikemoto, Kazuto; Mori, Shigeki; Mukai, Kazuo","Synthesis and crystal structure of pyrroloquinoline quinol (PQQH~2~) and pyrroloquinoline quinone (PQQ)","Acta Crystallographica Section B","2017","73","3","489","497","10.1107/S2052520617002281","","","0.71075","MoKα","","0.0838","0.0698","","","0.1701","0.1852","","","","","","1.044","","","","has coordinates,has Fobs","199045","2020-10-21","18:00:00",""
"2108053","5.1915","0.0007","11.1729","0.0014","15.037","0.002","105.837","0.006","90.773","0.006","100.81","0.005","822.28","0.19","103","2","103","2","","","","","","","","6","P -1","-P 1","2","","","","- C14 H13 F4 I O2 S2 -","- C14 H13 F4 I O2 S2 -","- C28 H26 F8 I2 O4 S4 -","2","1","XM5008","Sanjeeva, Kavitha Buntara; Tirotta, Ilaria; Kumar, Vijith; Bombelli, Francesca Baldelli; Terraneo, Giancarlo; Metrangolo, Pierangelo","Crystallographic insights into the structural aspects of thioctic acid based halogen-bond donor for the functionalization of gold nanoparticles","Acta Crystallographica Section B","2017","73","2","240","246","10.1107/S2052520617003092","","","0.71073","MoKα","","0.0454","0.0343","","","0.0731","0.0772","","","","","","1.054","","","","has coordinates,has disorder,has Fobs","199046","2020-10-21","18:00:00",""
"2108054","7.7856","0.001","10.1191","0.0012","14.647","0.002","91.391","0.01","101.045","0.009","110.18","0.008","1057.9","0.2","103","2","103","2","","","","","","","","7","P -1","-P 1","2","","","","- C40 H36 F8 I2 N2 O4 S4 -","- C40 H36 F8 I2 N2 O4 S4 -","- C40 H36 F8 I2 N2 O4 S4 -","1","0.5","","Sanjeeva, Kavitha Buntara; Tirotta, Ilaria; Kumar, Vijith; Bombelli, Francesca Baldelli; Terraneo, Giancarlo; Metrangolo, Pierangelo","Crystallographic insights into the structural aspects of thioctic acid based halogen-bond donor for the functionalization of gold nanoparticles","Acta Crystallographica Section B","2017","73","2","240","246","10.1107/S2052520617003092","","","0.71073","MoKα","","0.0569","0.0383","","","0.0733","0.0792","","","","","","1.023","","","","has coordinates,has Fobs","199046","2020-10-21","18:00:00",""
"2108055","20.333","0.002","5.1356","0.0005","24.966","0.002","90","","90.909","0.006","90","","2606.7","0.4","100","0.1","100","0.1","","","","","","","","4","I 1 2/a 1","-I 2ya","15","","Isonicotinamide 4-methoxybenzoic acid","","- C14 H14 N2 O4 -","- C14 H14 N2 O4 -","- C112 H112 N16 O32 -","8","1","GW5049","Chia, Tze Shyang; Quah, Ching Kheng","Temperature-induced first-order displacive phase transition of isonicotinamide-4-methoxybenzoic acid co-crystal","Acta Crystallographica Section B","2017","73","2","285","295","10.1107/S2052520616019405","","","0.71073","MoKα","","0.0504","0.0404","","","0.1087","0.1171","","","","","","1.042","","","","has coordinates,has Fobs","199047","2020-10-21","18:00:00",""
"2108056","20.332","0.002","5.1318","0.0005","25.024","0.002","90","","90.917","0.006","90","","2610.7","0.4","140","0.1","140","0.1","","","","","","","","4","I 1 2/a 1","-I 2ya","15","","Isonicotinamide 4-methoxybenzoic acid","","- C14 H14 N2 O4 -","- C14 H14 N2 O4 -","- C112 H112 N16 O32 -","8","1","","Chia, Tze Shyang; Quah, Ching Kheng","Temperature-induced first-order displacive phase transition of isonicotinamide-4-methoxybenzoic acid co-crystal","Acta Crystallographica Section B","2017","73","2","285","295","10.1107/S2052520616019405","","","0.71073","MoKα","","0.0536","0.0422","","","0.1143","0.1248","","","","","","1.073","","","","has coordinates,has Fobs","199047","2020-10-21","18:00:00",""
"2108057","20.296","0.007","5.1263","0.0018","25.005","0.009","90","","90.95","0.02","90","","2601.2","1.6","142","0.1","142","0.1","","","","","","","","4","I 1 2/a 1","-I 2ya","15","","Isonicotinamide 4-methoxybenzoic acid","","- C14 H14 N2 O4 -","- C14 H14 N2 O4 -","- C112 H112 N16 O32 -","8","1","","Chia, Tze Shyang; Quah, Ching Kheng","Temperature-induced first-order displacive phase transition of isonicotinamide-4-methoxybenzoic acid co-crystal","Acta Crystallographica Section B","2017","73","2","285","295","10.1107/S2052520616019405","","","0.71073","MoKα","","0.0646","0.0462","","","0.1197","0.1333","","","","","","1.04","","","","has coordinates,has Fobs","199047","2020-10-21","18:00:00",""
"2108058","20.088","0.005","5.2242","0.0012","25.033","0.006","90","","92.308","0.016","90","","2624.9","1.1","143","0.1","143","0.1","","","","","","","","4","I 1 2/a 1","-I 2ya","15","","Isonicotinamide 4-methoxybenzoic acid","","- C14 H14 N2 O4 -","- C14 H14 N2 O4 -","- C112 H112 N16 O32 -","8","1","","Chia, Tze Shyang; Quah, Ching Kheng","Temperature-induced first-order displacive phase transition of isonicotinamide-4-methoxybenzoic acid co-crystal","Acta Crystallographica Section B","2017","73","2","285","295","10.1107/S2052520616019405","","","0.71073","MoKα","","0.0676","0.0467","","","0.1195","0.1342","","","","","","1.04","","","","has coordinates,has Fobs","199047","2020-10-21","18:00:00",""
"2108059","20.084","0.002","5.2206","0.0006","25.04","0.003","90","","92.375","0.008","90","","2623.2","0.5","150","0.1","150","0.1","","","","","","","","4","I 1 2/a 1","-I 2ya","15","","Isonicotinamide 4-methoxybenzoic acid","","- C14 H14 N2 O4 -","- C14 H14 N2 O4 -","- C112 H112 N16 O32 -","8","1","","Chia, Tze Shyang; Quah, Ching Kheng","Temperature-induced first-order displacive phase transition of isonicotinamide-4-methoxybenzoic acid co-crystal","Acta Crystallographica Section B","2017","73","2","285","295","10.1107/S2052520616019405","","","0.71073","MoKα","","0.0558","0.0429","","","0.1142","0.1245","","","","","","1.053","","","","has coordinates,has Fobs","199047","2020-10-21","18:00:00",""
"2108060","20.126","0.005","5.2212","0.0012","25.134","0.006","90","","92.401","0.016","90","","2638.8","1.1","200","0.1","200","0.1","","","","","","","","4","I 1 2/a 1","-I 2ya","15","","Isonicotinamide 4-methoxybenzoic acid","","- C14 H14 N2 O4 -","- C14 H14 N2 O4 -","- C112 H112 N16 O32 -","8","1","","Chia, Tze Shyang; Quah, Ching Kheng","Temperature-induced first-order displacive phase transition of isonicotinamide-4-methoxybenzoic acid co-crystal","Acta Crystallographica Section B","2017","73","2","285","295","10.1107/S2052520616019405","","","0.71073","MoKα","","0.077","0.0489","","","0.1263","0.1446","","","","","","1.018","","","","has coordinates,has Fobs","199047","2020-10-21","18:00:00",""
"2108061","20.161","0.004","5.218","0.0011","25.234","0.005","90","","92.559","0.014","90","","2652","0.9","250","0.1","250","0.1","","","","","","","","4","I 1 2/a 1","-I 2ya","15","","Isonicotinamide 4-methoxybenzoic acid","","- C14 H14 N2 O4 -","- C14 H14 N2 O4 -","- C112 H112 N16 O32 -","8","1","","Chia, Tze Shyang; Quah, Ching Kheng","Temperature-induced first-order displacive phase transition of isonicotinamide-4-methoxybenzoic acid co-crystal","Acta Crystallographica Section B","2017","73","2","285","295","10.1107/S2052520616019405","","","0.71073","MoKα","","0.0794","0.0488","","","0.1275","0.1471","","","","","","1.037","","","","has coordinates,has Fobs","199047","2020-10-21","18:00:00",""
"2108062","20.246","0.002","5.2132","0.0006","25.372","0.002","90","","92.557","0.007","90","","2675.3","0.5","300","0.1","300","0.1","","","","","","","","4","I 1 2/a 1","-I 2ya","15","","Isonicotinamide 4-methoxybenzoic acid","","- C14 H14 N2 O4 -","- C14 H14 N2 O4 -","- C112 H112 N16 O32 -","8","1","","Chia, Tze Shyang; Quah, Ching Kheng","Temperature-induced first-order displacive phase transition of isonicotinamide-4-methoxybenzoic acid co-crystal","Acta Crystallographica Section B","2017","73","2","285","295","10.1107/S2052520616019405","","","0.71073","MoKα","","0.072","0.0515","","","0.1338","0.1504","","","","","","1.064","","","","has coordinates,has Fobs","199047","2020-10-21","18:00:00",""
"2108063","8.8638","0.001","11.1097","0.0013","11.5441","0.0013","90","","107.878","0.002","90","","1081.9","0.2","150","2","150","2","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C8 H40 Cr6 N4 O36 U4 -","- C8 H40 Cr6 N4 O36 U4 -","- C8 H40 Cr6 N4 O36 U4 -","1","0.5","BP5092","Siidra, Oleg; Nazarchuk, Evgeny; Bocharov, Sergey; Depmeier, Wulf; Zadoya, Anastasiya","Formation of co-racemic uranyl chromate constructed from chiral layers of different topology","Acta Crystallographica Section B","2017","73","1","101","111","10.1107/S205252061601917X","","","0.71073","MoKα","","0.0257","0.0255","","","0.0698","0.0699","","","","","","1.109","","","","has coordinates,has Fobs","199048","2020-10-21","18:00:00",""
"2108064","11.0898","0.0007","10.5667","0.0007","16.2713","0.001","90","","90.109","0.001","90","","1906.7","0.2","150","2","150","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- Cr H2.67 K0.47 O6.67 Rb0.19 U0.67 -","- Cr H2.66667 K0.475667 O6.66667 Rb0.191 U0.666667 -","- Cr12 H32 K5.708 O80 Rb2.292 U8 -","12","3","","Siidra, Oleg; Nazarchuk, Evgeny; Bocharov, Sergey; Depmeier, Wulf; Zadoya, Anastasiya","Formation of co-racemic uranyl chromate constructed from chiral layers of different topology","Acta Crystallographica Section B","2017","73","1","101","111","10.1107/S205252061601917X","","","0.71073","MoKα","","0.0549","0.0459","","","0.1108","0.1149","","","","","","0.997","","","","has coordinates,has Fobs","199048","2020-10-21","18:00:00",""
"2108065","11.4334","0.0017","11.525","0.0013","18.79","0.003","90","","92.427","0.005","90","","2473.7","0.6","150","2","150","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C2.13 Cr0.8 N0.53 O4.53 U0.53 -","- C2.13333 Cr0.8 N0.533333 O4.53333 U0.533333 -","- C32 Cr12 N8 O68 U8 -","15","3.75","","Siidra, Oleg; Nazarchuk, Evgeny; Bocharov, Sergey; Depmeier, Wulf; Zadoya, Anastasiya","Formation of co-racemic uranyl chromate constructed from chiral layers of different topology","Acta Crystallographica Section B","2017","73","1","101","111","10.1107/S205252061601917X","","","0.71073","MoKα","","0.0448","0.0333","","","0.0742","0.0793","","","","","","1.018","","","","has coordinates,has Fobs","199048","2020-10-21","18:00:00",""
"2108066","11.1281","0.001","11.152","0.001","32.85","0.003","90","","90","","90","","4076.7","0.6","150","2","150","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C8 H38 Cr6 N4 O35 U4 -","- C8 H38 Cr6 N4 O35 U4 -","- C32 H152 Cr24 N16 O140 U16 -","4","1","","Siidra, Oleg; Nazarchuk, Evgeny; Bocharov, Sergey; Depmeier, Wulf; Zadoya, Anastasiya","Formation of co-racemic uranyl chromate constructed from chiral layers of different topology","Acta Crystallographica Section B","2017","73","1","101","111","10.1107/S205252061601917X","","","0.71073","MoKα","","0.0563","0.049","","","0.1071","0.1108","","","","","","1.065","","","","has coordinates,has Fobs","199048","2020-10-21","18:00:00",""
"2108067","8.9545","0.0006","10.1012","0.0006","11.5659","0.0008","85.879","0.003","89.31","0.004","65.16","0.003","946.72","0.11","100","2","100","2","","","","","","","","6","P -1","-P 1","2","","","","- C38 H46 Br4 Co N2 O4 -","- C38 H46 Br4 Co N2 O4 -","- C38 H46 Br4 Co N2 O4 -","1","0.5","PS5056","Hathwar, Venkatesha R.; Stingaciu, Marian; Richter, Bo; Overgaard, Jacob; Iversen, Bo B.","Variable-temperature structural studies on valence tautomerism in cobalt bis(dioxolene) molecular complexes","Acta Crystallographica Section B","2017","73","2","304","312","10.1107/S2052520616019235","","","0.56085","AgKα","","0.0555","0.0417","","","0.1105","0.1288","","","","","","1.097","","","","has coordinates,has Fobs","199049","2020-10-21","18:00:00",""
"2108068","8.9612","0.0007","10.1111","0.0008","11.5984","0.0009","85.951","0.005","89.29","0.003","65.221","0.004","951.59","0.13","150","2","150","2","","","","","","","","6","P -1","-P 1","2","","","","- C38 H46 Br4 Co N2 O4 -","- C38 H46 Br4 Co N2 O4 -","- C38 H46 Br4 Co N2 O4 -","1","0.5","","Hathwar, Venkatesha R.; Stingaciu, Marian; Richter, Bo; Overgaard, Jacob; Iversen, Bo B.","Variable-temperature structural studies on valence tautomerism in cobalt bis(dioxolene) molecular complexes","Acta Crystallographica Section B","2017","73","2","304","312","10.1107/S2052520616019235","","","0.56085","AgKα","","0.0529","0.0354","","","0.0947","0.1198","","","","","","1.159","","","","has coordinates,has Fobs","199049","2020-10-21","18:00:00",""
"2108069","8.9788","0.0011","10.1598","0.0013","11.6606","0.0015","86.014","0.005","89.423","0.005","65.463","0.004","965.1","0.2","200","2","200","2","","","","","","","","6","P -1","-P 1","2","","","","- C38 H46 Br4 Co N2 O4 -","- C38 H46 Br4 Co N2 O4 -","- C38 H46 Br4 Co N2 O4 -","1","0.5","","Hathwar, Venkatesha R.; Stingaciu, Marian; Richter, Bo; Overgaard, Jacob; Iversen, Bo B.","Variable-temperature structural studies on valence tautomerism in cobalt bis(dioxolene) molecular complexes","Acta Crystallographica Section B","2017","73","2","304","312","10.1107/S2052520616019235","","","0.56085","AgKα","","0.0689","0.0436","","","0.1183","0.1499","","","","","","1.112","","","","has coordinates,has Fobs","199049","2020-10-21","18:00:00",""
"2108070","9.0047","0.0011","10.2138","0.0012","11.6756","0.0014","86.394","0.004","89.775","0.005","65.652","0.004","976.1","0.2","235","2","235","2","","","","","","","","6","P -1","-P 1","2","","","","- C38 H46 Br4 Co N2 O4 -","- C38 H46 Br4 Co N2 O4 -","- C38 H46 Br4 Co N2 O4 -","1","0.5","","Hathwar, Venkatesha R.; Stingaciu, Marian; Richter, Bo; Overgaard, Jacob; Iversen, Bo B.","Variable-temperature structural studies on valence tautomerism in cobalt bis(dioxolene) molecular complexes","Acta Crystallographica Section B","2017","73","2","304","312","10.1107/S2052520616019235","","","0.56085","AgKα","","0.0751","0.0455","","","0.1182","0.1494","","","","","","1.135","","","","has coordinates,has Fobs","199049","2020-10-21","18:00:00",""
"2108071","8.9569","0.0009","10.7763","0.001","11.7042","0.0012","85.308","0.004","87.784","0.004","62.483","0.003","998.56","0.17","250","2","250","2","","","","","","","","6","P -1","-P 1","2","","","","- C38 H46 Br4 Co N2 O4 -","- C38 H46 Br4 Co N2 O4 -","- C38 H46 Br4 Co N2 O4 -","1","0.5","","Hathwar, Venkatesha R.; Stingaciu, Marian; Richter, Bo; Overgaard, Jacob; Iversen, Bo B.","Variable-temperature structural studies on valence tautomerism in cobalt bis(dioxolene) molecular complexes","Acta Crystallographica Section B","2017","73","2","304","312","10.1107/S2052520616019235","","","0.56085","AgKα","","0.0784","0.0448","","","0.1238","0.1616","","","","","","1.111","","","","has coordinates,has Fobs","199049","2020-10-21","18:00:00",""
"2108072","9.008","0.0018","10.899","0.002","11.769","0.002","85.328","0.006","87.483","0.006","62.462","0.005","1021.1","0.3","296","2","296","2","","","","","","","","6","P -1","-P 1","2","","","","- C38 H46 Br4 Co N2 O4 -","- C38 H46 Br4 Co N2 O4 -","- C38 H46 Br4 Co N2 O4 -","1","0.5","","Hathwar, Venkatesha R.; Stingaciu, Marian; Richter, Bo; Overgaard, Jacob; Iversen, Bo B.","Variable-temperature structural studies on valence tautomerism in cobalt bis(dioxolene) molecular complexes","Acta Crystallographica Section B","2017","73","2","304","312","10.1107/S2052520616019235","","","0.56085","AgKα","","0.1138","0.0606","","","0.1463","0.1746","","","","","","0.987","","","","has coordinates,has Fobs","199049","2020-10-21","18:00:00",""
"2108073","20.1281","0.0007","20.1281","0.0007","8.9942","0.0003","90","","90","","120","","3155.72","0.19","100","2","100","2","","","","","","","","6","P -3","-P 3","147","","","","- C38 H46 Br4 Co N2 O4 -","- C38 H46 Br4 Co N2 O4 -","- C114 H138 Br12 Co3 N6 O12 -","3","0.5","","Hathwar, Venkatesha R.; Stingaciu, Marian; Richter, Bo; Overgaard, Jacob; Iversen, Bo B.","Variable-temperature structural studies on valence tautomerism in cobalt bis(dioxolene) molecular complexes","Acta Crystallographica Section B","2017","73","2","304","312","10.1107/S2052520616019235","","","0.56085","AgKα","","0.1095","0.0572","","","0.1359","0.152","","","","","","0.993","","","","has coordinates,has Fobs","199049","2020-10-21","18:00:00",""
"2108074","20.255","0.002","20.255","0.002","9.0132","0.001","90","","90","","120","","3202.4","0.6","150","2","150","2","","","","","","","","6","P -3","-P 3","147","","","","- C38 H46 Br4 Co N2 O4 -","- C38 H46 Br4 Co N2 O4 -","- C114 H138 Br12 Co3 N6 O12 -","3","0.5","","Hathwar, Venkatesha R.; Stingaciu, Marian; Richter, Bo; Overgaard, Jacob; Iversen, Bo B.","Variable-temperature structural studies on valence tautomerism in cobalt bis(dioxolene) molecular complexes","Acta Crystallographica Section B","2017","73","2","304","312","10.1107/S2052520616019235","","","0.56085","AgKα","","0.1241","0.0702","","","0.1674","0.1865","","","","","","1.005","","","","has coordinates,has Fobs","199049","2020-10-21","18:00:00",""
"2108075","20.3624","0.001","20.3624","0.001","9.0045","0.0005","90","","90","","120","","3233.3","0.3","175","2","175","2","","","","","","","","6","P -3","-P 3","147","","","","- C38 H46 Br4 Co N2 O4 -","- C38 H46 Br4 Co N2 O4 -","- C114 H138 Br12 Co3 N6 O12 -","3","0.5","","Hathwar, Venkatesha R.; Stingaciu, Marian; Richter, Bo; Overgaard, Jacob; Iversen, Bo B.","Variable-temperature structural studies on valence tautomerism in cobalt bis(dioxolene) molecular complexes","Acta Crystallographica Section B","2017","73","2","304","312","10.1107/S2052520616019235","","","0.56085","AgKα","","0.1447","0.0726","","","0.1862","0.2044","","","","","","1.049","","","","has coordinates,has Fobs","199049","2020-10-21","18:00:00",""
"2108076","20.4697","0.0014","20.4697","0.0014","9.0166","0.0006","90","","90","","120","","3271.9","0.4","200","2","200","2","","","","","","","","6","P -3","-P 3","147","","","","- C38 H46 Br4 Co N2 O4 -","- C38 H46 Br4 Co N2 O4 -","- C114 H138 Br12 Co3 N6 O12 -","3","0.5","","Hathwar, Venkatesha R.; Stingaciu, Marian; Richter, Bo; Overgaard, Jacob; Iversen, Bo B.","Variable-temperature structural studies on valence tautomerism in cobalt bis(dioxolene) molecular complexes","Acta Crystallographica Section B","2017","73","2","304","312","10.1107/S2052520616019235","","","0.56085","AgKα","","0.1444","0.0707","","","0.1727","0.1985","","","","","","0.889","","","","has coordinates,has Fobs","199049","2020-10-21","18:00:00",""
"2108077","20.688","0.003","20.688","0.003","9.0563","0.0015","90","","90","","120","","3356.7","0.9","296","2","296","2","","","","","","","","6","P -3","-P 3","147","","","","- C38 H46 Br4 Co N2 O4 -","- C38 H46 Br4 Co N2 O4 -","- C114 H138 Br12 Co3 N6 O12 -","3","0.5","","Hathwar, Venkatesha R.; Stingaciu, Marian; Richter, Bo; Overgaard, Jacob; Iversen, Bo B.","Variable-temperature structural studies on valence tautomerism in cobalt bis(dioxolene) molecular complexes","Acta Crystallographica Section B","2017","73","2","304","312","10.1107/S2052520616019235","","","0.56085","AgKα","","0.1516","0.0745","","","0.2007","0.2271","","","","","","1","","","","has coordinates,has Fobs","199049","2020-10-21","18:00:00",""
"2108078","20.0094","0.0013","20.0094","0.0013","8.8987","0.0007","90","","90","","120","","3085.5","0.4","100","2","100","2","","","","","","","","6","P -3","-P 3","147","","","","- C38 H46 Cl4 Co N2 O4 -","- C38 H46 Cl4 Co N2 O4 -","- C114 H138 Cl12 Co3 N6 O12 -","3","0.5","","Hathwar, Venkatesha R.; Stingaciu, Marian; Richter, Bo; Overgaard, Jacob; Iversen, Bo B.","Variable-temperature structural studies on valence tautomerism in cobalt bis(dioxolene) molecular complexes","Acta Crystallographica Section B","2017","73","2","304","312","10.1107/S2052520616019235","","","0.56085","AgKα","","0.1283","0.0951","","","0.24","0.2564","","","","","","1.084","","","","has coordinates,has Fobs","199049","2020-10-21","18:00:00",""
"2108079","20.166","0.003","20.166","0.003","8.9271","0.001","90","","90","","120","","3144","0.7","150","2","150","2","","","","","","","","6","P -3","-P 3","147","","","","- C38 H46 Cl4 Co N2 O4 -","- C38 H46 Cl4 Co N2 O4 -","- C114 H138 Cl12 Co3 N6 O12 -","3","0.5","","Hathwar, Venkatesha R.; Stingaciu, Marian; Richter, Bo; Overgaard, Jacob; Iversen, Bo B.","Variable-temperature structural studies on valence tautomerism in cobalt bis(dioxolene) molecular complexes","Acta Crystallographica Section B","2017","73","2","304","312","10.1107/S2052520616019235","","","0.56085","AgKα","","0.1778","0.1063","","","0.2802","0.3127","","","","","","1.037","","","","has coordinates,has Fobs","199049","2020-10-21","18:00:00",""
"2108080","20.243","0.005","20.243","0.005","8.933","0.005","90","0.005","90","0.005","120","0.005","3170","2","175","2","175","2","","","","","","","","6","P -3","-P 3","147","","","","- C38 H46 Cl4 Co N2 O4 -","- C38 H46 Cl4 Co N2 O4 -","- C114 H138 Cl12 Co3 N6 O12 -","3","0.5","","Hathwar, Venkatesha R.; Stingaciu, Marian; Richter, Bo; Overgaard, Jacob; Iversen, Bo B.","Variable-temperature structural studies on valence tautomerism in cobalt bis(dioxolene) molecular complexes","Acta Crystallographica Section B","2017","73","2","304","312","10.1107/S2052520616019235","","","0.56085","AgKα","","0.1692","0.1051","","","0.2779","0.3073","","","","","","1.063","","","","has coordinates,has Fobs","199049","2020-10-21","18:00:00",""
"2108081","20.334","0.005","20.334","0.005","8.945","0.005","90","0.005","90","0.005","120","0.005","3203","2","200","2","200","2","","","","","","","","6","P -3","-P 3","147","","","","- C38 H46 Cl4 Co N2 O4 -","- C38 H46 Cl4 Co N2 O4 -","- C114 H138 Cl12 Co3 N6 O12 -","3","0.5","","Hathwar, Venkatesha R.; Stingaciu, Marian; Richter, Bo; Overgaard, Jacob; Iversen, Bo B.","Variable-temperature structural studies on valence tautomerism in cobalt bis(dioxolene) molecular complexes","Acta Crystallographica Section B","2017","73","2","304","312","10.1107/S2052520616019235","","","0.56085","AgKα","","0.1447","0.093","","","0.2479","0.273","","","","","","1.033","","","","has coordinates,has Fobs","199049","2020-10-21","18:00:00",""
"2108082","20.643","0.018","20.643","0.018","9.015","0.007","90","","90","","120","","3327","5","296","2","296","2","","","","","","","","6","P -3","-P 3","147","","","","- C38 H46 Cl4 Co N2 O4 -","- C38 H46 Cl4 Co N2 O4 -","- C114 H138 Cl12 Co3 N6 O12 -","3","0.5","","Hathwar, Venkatesha R.; Stingaciu, Marian; Richter, Bo; Overgaard, Jacob; Iversen, Bo B.","Variable-temperature structural studies on valence tautomerism in cobalt bis(dioxolene) molecular complexes","Acta Crystallographica Section B","2017","73","2","304","312","10.1107/S2052520616019235","","","0.56085","AgKα","","0.2478","0.1195","","","0.294","0.35","","","","","","0.869","","","","has coordinates,has Fobs","199049","2020-10-21","18:00:00",""
"2108083","8.8113","0.0003","10.7232","0.0005","11.522","0.0005","91.925","0.004","93.441","0.003","93.722","0.003","1083.64","0.08","100","2","100","2","","","","","","","","6","P -1","-P 1","2","","","","- C38 H44 Br6 Co N2 O4 -","- C38 H44 Br6 Co N2 O4 -","- C38 H44 Br6 Co N2 O4 -","1","0.5","","Hathwar, Venkatesha R.; Stingaciu, Marian; Richter, Bo; Overgaard, Jacob; Iversen, Bo B.","Variable-temperature structural studies on valence tautomerism in cobalt bis(dioxolene) molecular complexes","Acta Crystallographica Section B","2017","73","2","304","312","10.1107/S2052520616019235","","","0.71073","MoKα","","0.0737","0.0398","","","0.0718","0.0852","","","","","","1.046","","","","has coordinates,has Fobs","199049","2020-10-21","18:00:00",""
"2108084","8.807","0.0006","10.6922","0.0008","11.4658","0.0013","91.692","0.008","93.393","0.007","93.903","0.006","1074.69","0.16","20","2","20","2","","","","","","","","6","P -1","-P 1","2","","","","- C38 H44 Br6 Co N2 O4 -","- C38 H44 Br6 Co N2 O4 -","- C38 H44 Br6 Co N2 O4 -","1","0.5","","Hathwar, Venkatesha R.; Stingaciu, Marian; Richter, Bo; Overgaard, Jacob; Iversen, Bo B.","Variable-temperature structural studies on valence tautomerism in cobalt bis(dioxolene) molecular complexes","Acta Crystallographica Section B","2017","73","2","304","312","10.1107/S2052520616019235","","","0.4997","Synchrotron,monochromatic","","0.0756","0.06","","","0.1425","0.1517","","","","","","1.118","","","","has coordinates,has Fobs","199049","2020-10-21","18:00:00",""
"2108085","8.8725","0.0003","10.798","0.0003","11.6965","0.0004","92.641","0.002","94.358","0.003","93.791","0.002","1113.43","0.06","296","2","296","2","","","","","","","","6","P -1","-P 1","2","","","","- C38 H44 Br6 Co N2 O4 -","- C38 H44 Br6 Co N2 O4 -","- C38 H44 Br6 Co N2 O4 -","1","0.5","","Hathwar, Venkatesha R.; Stingaciu, Marian; Richter, Bo; Overgaard, Jacob; Iversen, Bo B.","Variable-temperature structural studies on valence tautomerism in cobalt bis(dioxolene) molecular complexes","Acta Crystallographica Section B","2017","73","2","304","312","10.1107/S2052520616019235","","","0.71073","MoKα","","0.0967","0.0445","","","0.0866","0.0976","","","","","","1.012","","","","has coordinates,has Fobs","199049","2020-10-21","18:00:00",""
"2108086","8.7762","0.0003","10.5578","0.0004","11.4878","0.0005","91.565","0.003","93.882","0.002","93.95","0.004","1058.92","0.07","100","2","100","2","","","","","","","","6","P -1","-P 1","2","","","","- C38 H44 Cl6 Co N2 O4 -","- C38 H44 Cl6 Co N2 O4 -","- C38 H44 Cl6 Co N2 O4 -","1","0.5","","Hathwar, Venkatesha R.; Stingaciu, Marian; Richter, Bo; Overgaard, Jacob; Iversen, Bo B.","Variable-temperature structural studies on valence tautomerism in cobalt bis(dioxolene) molecular complexes","Acta Crystallographica Section B","2017","73","2","304","312","10.1107/S2052520616019235","","","0.71073","MoKα","","0.0897","0.0511","","","0.1038","0.1252","","","","","","1.035","","","","has coordinates,has Fobs","199049","2020-10-21","18:00:00",""
"2108087","11.455","0.004","27.777","0.01","21.823","0.009","90","","95.607","0.009","90","","6911","4","296","2","296","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C66 H36 F16 I8 N6 -","- C66 H36 F16 I8 N6 -","- C264 H144 F64 I32 N24 -","4","0.5","AO5026","Liu, Rui; Gao, Yuan Jun; Jin, Wei Jun","Color-tunable phosphorescence of 1,10-phenanthrolines by 4,7-methyl/-diphenyl/-dichloro substituents in cocrystals assembled <i>via</i> bifurcated C—I···N halogen bonds using 1,4-diiodotetrafluorobenzene as a bonding donor","Acta Crystallographica Section B","2017","73","2","247","254","10.1107/S205252061700292X","","","0.71073","MoKα","","0.2441","0.0663","","","0.098","0.149","","","","","","0.874","","","","has coordinates,has Fobs","219800","2020-10-21","18:00:00",""
"2108088","7.367","0.005","11.435","0.008","25.882","0.016","90","","93.609","0.011","90","","2176","3","100","2","100","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C54 H32 F4 I2 N4 -","- C54 H32 F4 I2 N4 -","- C108 H64 F8 I4 N8 -","2","0.5","","Liu, Rui; Gao, Yuan Jun; Jin, Wei Jun","Color-tunable phosphorescence of 1,10-phenanthrolines by 4,7-methyl/-diphenyl/-dichloro substituents in cocrystals assembled <i>via</i> bifurcated C—I···N halogen bonds using 1,4-diiodotetrafluorobenzene as a bonding donor","Acta Crystallographica Section B","2017","73","2","247","254","10.1107/S205252061700292X","","","0.71073","MoKα","","0.0713","0.0487","","","0.1177","0.1313","","","","","","0.99","","","","has coordinates,has Fobs","219800","2020-10-21","18:00:00",""
"2108089","10.5713","0.001","21.091","0.002","7.1214","0.0007","90","","108.149","0.002","90","","1508.8","0.3","296","2","296","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C30 H12 Cl4 F4 I2 N4 -","- C30 H12 Cl4 F4 I2 N4 -","- C60 H24 Cl8 F8 I4 N8 -","2","0.5","","Liu, Rui; Gao, Yuan Jun; Jin, Wei Jun","Color-tunable phosphorescence of 1,10-phenanthrolines by 4,7-methyl/-diphenyl/-dichloro substituents in cocrystals assembled <i>via</i> bifurcated C—I···N halogen bonds using 1,4-diiodotetrafluorobenzene as a bonding donor","Acta Crystallographica Section B","2017","73","2","247","254","10.1107/S205252061700292X","","","0.71073","MoKα","","0.0391","0.032","","","0.0819","0.0859","","","","","","1.049","","","","has coordinates,has Fobs","219800","2020-10-21","18:00:00",""
"2108090","22.4519","0.0012","18.1915","0.0009","8.0879","0.0004","90","","90","","90","","3303.4","0.3","100","","100","","","","","","","","","7","P b c n","-P 2n 2ab","60","","","","- C27 H23 F6 I2 N3 O7 S2 -","- C27 H23 F6 I2 N3 O7 S2 -","- C108 H92 F24 I8 N12 O28 S8 -","4","0.5","XM5006","Riel, Asia Marie S.; Jessop, Morly J.; Decato, Daniel A.; Massena, Casey J.; Nascimento, Vinicius R.; Berryman, Orion B.","Experimental investigation of halogen-bond hard‒soft acid‒base complementarity","Acta Crystallographica Section B","2017","73","2","203","209","10.1107/S2052520617001809","","","0.71073","MoKα","","0.0756","0.0648","","","0.1177","0.1212","","","","","","1.313","","","","has coordinates,has disorder,has Fobs","199051","2020-10-21","18:00:00",""
"2108091","9.1203","0.0011","11.3562","0.0014","13.9355","0.0018","77.294","0.004","71.958","0.004","77.39","0.004","1321.1","0.3","100","","100","","","","","","","","","6","P -1","-P 1","2","","","","- C25 H20 I2 N4 O S2 -","- C25 H20 I2 N4 O S2 -","- C50 H40 I4 N8 O2 S4 -","2","1","","Riel, Asia Marie S.; Jessop, Morly J.; Decato, Daniel A.; Massena, Casey J.; Nascimento, Vinicius R.; Berryman, Orion B.","Experimental investigation of halogen-bond hard‒soft acid‒base complementarity","Acta Crystallographica Section B","2017","73","2","203","209","10.1107/S2052520617001809","","","0.71073","MoKα","","0.0736","0.0583","","","0.1445","0.1566","","","","","","1.07","","","","has coordinates,has Fobs","199051","2020-10-21","18:00:00",""
"2108092","7.727","0.0003","10.9671","0.0004","16.978","0.0007","103.375","0.002","98.725","0.002","94.093","0.002","1375.04","0.09","100","","100","","","","","","","","","6","P -1","-P 1","2","","","","- C24.97 H17.94 Cl1.94 I2 N4 S2 -","- C24.9689 H17.9378 Cl1.9378 I2 N4 S2 -","- C49.9378 H35.8756 Cl3.8756 I4 N8 S4 -","2","1","","Riel, Asia Marie S.; Jessop, Morly J.; Decato, Daniel A.; Massena, Casey J.; Nascimento, Vinicius R.; Berryman, Orion B.","Experimental investigation of halogen-bond hard‒soft acid‒base complementarity","Acta Crystallographica Section B","2017","73","2","203","209","10.1107/S2052520617001809","","","0.71073","MoKα","","0.0457","0.0314","","","0.0603","0.0641","","","","","","1.063","","","","has coordinates,has disorder,has Fobs","199051","2020-10-21","18:00:00",""
"2108093","7.3983","0.0004","10.437","0.0005","41.8567","0.0018","90","","93.424","0.002","90","","3226.2","0.3","100","","100","","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C22 H16 I8 N2 -","- C22 H16 I8 N2 -","- C88 H64 I32 N8 -","4","1","","Riel, Asia Marie S.; Jessop, Morly J.; Decato, Daniel A.; Massena, Casey J.; Nascimento, Vinicius R.; Berryman, Orion B.","Experimental investigation of halogen-bond hard‒soft acid‒base complementarity","Acta Crystallographica Section B","2017","73","2","203","209","10.1107/S2052520617001809","","","1.54178","CuKα","","0.057","0.0439","","","0.1027","0.1086","","","","","","1.063","","","","has coordinates,has Fobs","199051","2020-10-21","18:00:00",""
"2108094","17.891","0.005","4.586","0.003","10.941","0.004","90","","90","","90","","897.7","0.7","304","0.13","304","0.13","","","","","","","","5","P n a 21","P 2c -2n","33","","","","- C5 H7 N3 O6 S -","- C5 H7 N3 O6 S -","- C20 H28 N12 O24 S4 -","4","1","WF5131","Bednarchuk, Tamara J.; Kowalska, Dorota; Kinzhybalo, Vasyl; Wołcyrz, Marek","Temperature-induced reversible structural phase transition and X-ray diffuse scattering in 2-amino-3-nitropyridinium hydrogen sulfate","Acta Crystallographica Section B","2017","73","3","337","346","10.1107/S2052520617001524","","","0.71073","MoKα","","0.0546","0.0376","","","0.0787","0.0877","","","","","","1.073","","","","has coordinates,has disorder,has Fobs","199052","2020-10-21","18:00:00",""
"2108095","9.051","0.003","10.968","0.004","18.268","0.005","90","","104.35","0.03","90","","1756.9","1","100","0.1","100","0.1","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C5 H7 N3 O6 S -","- C5 H7 N3 O6 S -","- C40 H56 N24 O48 S8 -","8","4","WF5131","Bednarchuk, Tamara J.; Kowalska, Dorota; Kinzhybalo, Vasyl; Wołcyrz, Marek","Temperature-induced reversible structural phase transition and X-ray diffuse scattering in 2-amino-3-nitropyridinium hydrogen sulfate","Acta Crystallographica Section B","2017","73","3","337","346","10.1107/S2052520617001524","","","0.71073","MoKα","","0.0229","0.0217","","","0.0516","0.0521","","","","","","1.077","","","","has coordinates,has Fobs","199052","2020-10-21","18:00:00",""
"2108096","9.589","0.004","17.193","0.008","12.241","0.006","90","","101.085","0.007","90","","1980.4","1.6","293","2","293","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C14 H6 Br2 I2 O6 U -","- C14 H6 Br2 I2 O6 U -","- C56 H24 Br8 I8 O24 U4 -","4","1","AO5022","Kalaj, Mark; Carter, Korey P.; Cahill, Christopher L.","Utilizing bifurcated halogen-bonding interactions with the uranyl oxo group in the assembly of a UO~2~‒3-bromo-5-iodobenzoic acid coordination polymer","Acta Crystallographica Section B","2017","73","2","234","239","10.1107/S2052520617001639","","","0.71073","MoKα","","0.0627","0.0487","","","0.1465","0.1542","","","","","","1.073","","","","has coordinates,has Fobs","199053","2020-10-21","18:00:00",""
"2108097","13.7266","0.0012","16.9157","0.0015","16.908","0.0014","69.7619","0.0011","69.3377","0.0011","69.3655","0.0011","3325.9","0.5","90","2","90","2","","","","","","","","5","P -1","-P 1","2","[Ni(pydcH)(pydc)](H3O)(H2O)2]","","","- C14 H14 N2 Ni2 O11 -","- C14 H14 N2 Ni O11 -","- C112 H112 N16 Ni8 O88 -","8","4","EB5059","Derikvand, Zohreh; Powers, Xian B.; Olmstead, Marilyn M.","An ordering phase transition, short hydrogen bonds and high <i>Z</i>' in the structure of Ni(Hpydc)~2~·3H~2~O","Acta Crystallographica Section B","2017","73","3","413","418","10.1107/S2052520617004334","","","0.71073","MoKα","","0.0203","0.0199","","","0.0549","0.0552","","","","","","1.03","","","","has coordinates,has Fobs","218075","2020-10-21","18:00:00",""
"2108098","27.5303","0.0018","19.6477","0.0013","13.7534","0.0009","90","","115.261","0.002","90","","6727.9","0.8","180","2","180","2","","","","","","","","5","C 1 c 1","C -2yc","9","","[Ni(pydcH)2](H2O)3","","- C56 H44 N8 Ni4 O44 -","- C56 H44 N8 Ni4 O44 -","- C224 H176 N32 Ni16 O176 -","4","1","","Derikvand, Zohreh; Powers, Xian B.; Olmstead, Marilyn M.","An ordering phase transition, short hydrogen bonds and high <i>Z</i>' in the structure of Ni(Hpydc)~2~·3H~2~O","Acta Crystallographica Section B","2017","73","3","413","418","10.1107/S2052520617004334","","","0.71073","MoKα","","0.047","0.0409","","","0.1036","0.1134","","","","","","1.034","","","","has coordinates,has disorder,has Fobs","199054","2020-10-21","18:00:00",""
"2108099","13.6716","0.0008","10.0554","0.0006","13.7813","0.0008","90","","115.185","0.003","90","","1714.46","0.18","298","2","298","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","[Ni(pydcH)(pydc)](H3O)(H2O)2]","","- C14 H12 N2 Ni O11 -","- C14 H12 N2 Ni O11.001 -","- C56 H48 N8 Ni4 O44.004 -","4","1","","Derikvand, Zohreh; Powers, Xian B.; Olmstead, Marilyn M.","An ordering phase transition, short hydrogen bonds and high <i>Z</i>' in the structure of Ni(Hpydc)~2~·3H~2~O","Acta Crystallographica Section B","2017","73","3","413","418","10.1107/S2052520617004334","","","0.71073","MoKα","","0.0461","0.0383","","","0.1034","0.1102","","","","","","1.04","","","","has coordinates,has disorder,has Fobs","199054","2020-10-21","18:00:00",""
"2108100","13.6173","0.0008","14.3205","0.0009","15.4896","0.0009","77.4902","0.001","71.7418","0.001","76.5041","0.0011","2755.4","0.3","100","2","100","","","","","","","","","7","P -1","-P 1","2","","","","- C55 H42.47 Cu2.24 N6 O17.88 P4 V1.94 -","- C55 H42.4709 Cu2.23545 N6 O17.8806 P4 V1.9448 -","- C110 H84.9418 Cu4.4709 N12 O35.7612 P8 V3.8896 -","2","1","RM5002","Bulut, Aysun; Wörle, Michael; Zorlu, Yunus; Kirpi, Erdogan; Kurt, Huseyin; Zubieta, Jon; Grabowsky, Simon; Beckmann, Jens; Yücesan, Gündoğ","A potential Cu/V-organophosphonate platform for tailored void spaces <i>via</i> terpyridine mold casting","Acta Crystallographica Section B","2017","73","2","296","303","10.1107/S2052520617000245","","","0.71073","MoKα","","0.0543","0.0467","","","0.1147","0.1194","","","","","","1.069","","","","has coordinates,has disorder,has Fobs","199055","2020-10-21","18:00:00",""
"2108101","29.093","0.003","7.2893","0.0008","18.672","0.002","90","","127.61","0.005","90","","3136.8","0.6","296","2","296","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C27 H32 O14 P4 -","- C27 H32 O14 P4 -","- C108 H128 O56 P16 -","4","0.5","RM5002","Bulut, Aysun; Wörle, Michael; Zorlu, Yunus; Kirpi, Erdogan; Kurt, Huseyin; Zubieta, Jon; Grabowsky, Simon; Beckmann, Jens; Yücesan, Gündoğ","A potential Cu/V-organophosphonate platform for tailored void spaces <i>via</i> terpyridine mold casting","Acta Crystallographica Section B","2017","73","2","296","303","10.1107/S2052520617000245","","","0.71073","MoKα","","0.0703","0.0535","","","0.1317","0.141","","","","","","1.077","","","","has coordinates,has disorder","199055","2020-10-21","18:00:00",""
"2108102","16.205","0.0005","8.7361","0.0003","16.4295","0.0005","90","","92.216","0.003","90","","2324.16","0.13","295","2","295","2","","","","","","","","6","P 1 2/c 1","-P 2yc","13","","Tris(piperazine-1,4-diium) bis(hexaiodidoantimonate(III)) pentahydrate","","- C12 H46 I12 N6 O5 Sb2 -","- C12 H46 I12 N6 O5 Sb2 -","- C24 H92 I24 N12 O10 Sb4 -","2","0.5","EB5060","Bujak, Maciej","Formation and distortion of iodidoantimonates(III): the first isolated [SbI~6~]^3{-^} octahedron","Acta Crystallographica Section B","2017","73","3","432","442","10.1107/S2052520617003420","","","0.71073","MoKα","","0.0555","0.0283","","","0.0527","0.0557","","","","","","0.848","","","","has coordinates,has Fobs","199056","2020-10-21","18:00:00",""
"2108103","16.0632","0.0009","8.6414","0.0005","16.3102","0.001","90","","91.994","0.005","90","","2262.6","0.2","85","0.5","85","0.5","","","","","","","","6","P 1 2/c 1","-P 2yc","13","","Tris(piperazine-1,4-diium) bis(hexaiodidoantimonate(III)) pentahydrate","","- C12 H46 I12 N6 O5 Sb2 -","- C12 H46 I12 N6 O5 Sb2 -","- C24 H92 I24 N12 O10 Sb4 -","2","0.5","EB5060","Bujak, Maciej","Formation and distortion of iodidoantimonates(III): the first isolated [SbI~6~]^3{-^} octahedron","Acta Crystallographica Section B","2017","73","3","432","442","10.1107/S2052520617003420","","","0.71073","MoKα","","0.0952","0.0412","","","0.1045","0.1094","","","","","","1.007","","","","has coordinates,has Fobs","199056","2020-10-21","18:00:00",""
"2108104","7.4437","0.0004","13.0949","0.0008","13.7941","0.0008","90","","95.161","0.005","90","","1339.12","0.13","295","2","295","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","Piperazine-1,4-diium bis(tetraiodidoantimonate(III)) tetrahydrate","","- C4 H20 I8 N2 O4 Sb2 -","- C4 H20 I8 N2 O4 Sb2 -","- C8 H40 I16 N4 O8 Sb4 -","2","0.5","EB5060","Bujak, Maciej","Formation and distortion of iodidoantimonates(III): the first isolated [SbI~6~]^3{-^} octahedron","Acta Crystallographica Section B","2017","73","3","432","442","10.1107/S2052520617003420","","","0.71073","MoKα","","0.0379","0.0244","","","0.0385","0.0417","","","","","","1.013","","","","has coordinates,has disorder,has Fobs","199056","2020-10-21","18:00:00",""
"2108105","7.31459","0.00016","12.9482","0.0003","13.8097","0.0003","90","","94.56","0.002","90","","1303.79","0.05","85","0.5","85","0.5","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","Piperazine-1,4-diium bis(tetraiodidoantimonate(III)) tetrahydrate","","- C4 H20 I8 N2 O4 Sb2 -","- C4 H20 I8 N2 O4 Sb2 -","- C8 H40 I16 N4 O8 Sb4 -","2","0.5","EB5060","Bujak, Maciej","Formation and distortion of iodidoantimonates(III): the first isolated [SbI~6~]^3{-^} octahedron","Acta Crystallographica Section B","2017","73","3","432","442","10.1107/S2052520617003420","","","0.71073","MoKα","","0.0304","0.0223","","","0.0363","0.0381","","","","","","1.085","","","","has coordinates,has Fobs","199056","2020-10-21","18:00:00",""
"2108106","6.5154","0.0006","7.4946","0.0007","8.1299","0.0006","64.759","0.009","68.019","0.008","69.5","0.009","324.27","0.06","295","2","295","2","","","","","","","","4","P -1","-P 1","2","","Piperazine-1,4-diium diiodide diiodine","","- C4 H12 I4 N2 -","- C4 H12 I4 N2 -","- C4 H12 I4 N2 -","1","0.5","EB5060","Bujak, Maciej","Formation and distortion of iodidoantimonates(III): the first isolated [SbI~6~]^3{-^} octahedron","Acta Crystallographica Section B","2017","73","3","432","442","10.1107/S2052520617003420","","","0.71073","MoKα","","0.0247","0.0221","","","0.0614","0.0632","","","","","","1.168","","","","has coordinates,has Fobs","199056","2020-10-21","18:00:00",""
"2108107","6.4948","0.0005","7.4032","0.0006","8.0819","0.0005","64.087","0.007","67.276","0.007","69.593","0.007","314.73","0.05","85","0.5","85","0.5","","","","","","","","4","P -1","-P 1","2","","Piperazine-1,4-diium diiodide diiodine","","- C4 H12 I4 N2 -","- C4 H12 I4 N2 -","- C4 H12 I4 N2 -","1","0.5","EB5060","Bujak, Maciej","Formation and distortion of iodidoantimonates(III): the first isolated [SbI~6~]^3{-^} octahedron","Acta Crystallographica Section B","2017","73","3","432","442","10.1107/S2052520617003420","","","0.71073","MoKα","","0.0241","0.0218","","","0.053","0.054","","","","","","1.15","","","","has coordinates,has Fobs","199056","2020-10-21","18:00:00",""
"2108108","8.363","0.004","9.394","0.004","21.648","0.01","78.362","0.005","88.664","0.007","83.547","0.005","1655.2","1.3","100","2","100","2","","","","","","","","4","P -1","-P 1","2","","","","- C30 H48 N6 O11 -","- C30 H48 N6 O11 -","- C60 H96 N12 O22 -","2","1","PS5059","Tedesco, Consiglia; Macedi, Eleonora; Meli, Alessandra; Pierri, Giovanni; Della Sala, Giorgio; Drathen, Christina; Fitch, Andrew N.; Vaughan, Gavin B. M.; Izzo, Irene; De Riccardis, Francesco","Synthesis, crystallization, X-ray structural characterization and solid-state assembly of a cyclic hexapeptoid with propargyl and methoxyethyl side chains","Acta Crystallographica Section B","2017","73","3","399","412","10.1107/S2052520617002505","","","0.2952","Synchrotron","","0.0814","0.0731","","","0.1889","0.1953","","","","","","1.138","","","","has coordinates,has Fobs","199057","2020-10-21","18:00:00",""
"2108109","9.0367","0.0017","10.6221","0.0018","18.022","0.003","90","","102.661","0.004","90","","1687.8","0.5","100","2","100","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C30 H46 N6 O10 -","- C30 H46 N6 O10 -","- C60 H92 N12 O20 -","2","0.5","","Tedesco, Consiglia; Macedi, Eleonora; Meli, Alessandra; Pierri, Giovanni; Della Sala, Giorgio; Drathen, Christina; Fitch, Andrew N.; Vaughan, Gavin B. M.; Izzo, Irene; De Riccardis, Francesco","Synthesis, crystallization, X-ray structural characterization and solid-state assembly of a cyclic hexapeptoid with propargyl and methoxyethyl side chains","Acta Crystallographica Section B","2017","73","3","399","412","10.1107/S2052520617002505","","","0.71073","MoKα","","0.1017","0.0606","","","0.1463","0.1733","","","","","","0.916","","","","has coordinates,has Fobs","199057","2020-10-21","18:00:00",""
"2108110","8.3488","0.0007","9.356","0.001","21.546","0.004","78.286","0.015","88.61","0.017","83.572","0.012","1637.6","0.4","100","2","100","","","","","","","","","4","P -1","-P 1","2","","","","- C30 H48 N6 O11 -","- C30 H48 N6 O11 -","- C60 H96 N12 O22 -","2","1","","Tedesco, Consiglia; Macedi, Eleonora; Meli, Alessandra; Pierri, Giovanni; Della Sala, Giorgio; Drathen, Christina; Fitch, Andrew N.; Vaughan, Gavin B. M.; Izzo, Irene; De Riccardis, Francesco","Synthesis, crystallization, X-ray structural characterization and solid-state assembly of a cyclic hexapeptoid with propargyl and methoxyethyl side chains","Acta Crystallographica Section B","2017","73","3","399","412","10.1107/S2052520617002505","powder diffraction","","0.427488","synchrotron","","","","","","","","","0.02392","2.882","","","","","","","has coordinates","199058","2020-10-21","18:00:00",""
"2108111","9.02833","0.00016","10.6182","0.0002","18.0158","0.0004","90","","102.62","0.0014","90","","1685.35","0.06","100","","100","","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C30 H46 N6 O10 -","- C30 H46 N6 O10 -","- C60 H92 N12 O20 -","2","0.5","","Tedesco, Consiglia; Macedi, Eleonora; Meli, Alessandra; Pierri, Giovanni; Della Sala, Giorgio; Drathen, Christina; Fitch, Andrew N.; Vaughan, Gavin B. M.; Izzo, Irene; De Riccardis, Francesco","Synthesis, crystallization, X-ray structural characterization and solid-state assembly of a cyclic hexapeptoid with propargyl and methoxyethyl side chains","Acta Crystallographica Section B","2017","73","3","399","412","10.1107/S2052520617002505","powder diffraction","","0.427488","synchrotron","","","","","","","","","0.04091","2.882","","","","","","","has coordinates","199058","2020-10-21","18:00:00",""
"2108112","8.3412","0.0003","9.356","0.0003","21.5561","0.0009","78.318","0.004","88.636","0.004","83.546","0.003","1636.96","0.11","100","2","100","","","","","","","","","4","P -1","-P 1","2","","","","- C30 H48 N6 O11 -","- C30 H48 N6 O11 -","- C60 H96 N12 O22 -","2","1","","Tedesco, Consiglia; Macedi, Eleonora; Meli, Alessandra; Pierri, Giovanni; Della Sala, Giorgio; Drathen, Christina; Fitch, Andrew N.; Vaughan, Gavin B. M.; Izzo, Irene; De Riccardis, Francesco","Synthesis, crystallization, X-ray structural characterization and solid-state assembly of a cyclic hexapeptoid with propargyl and methoxyethyl side chains","Acta Crystallographica Section B","2017","73","3","399","412","10.1107/S2052520617002505","powder diffraction","","0.849893","synchrotron","","","","","","","","","0.0272","1.114","","","","","","","has coordinates","199059","2020-10-21","18:00:00",""
"2108113","9.0297","0.0005","10.6234","0.0006","18.0121","0.0012","90","","102.595","0.006","90","","1686.25","0.18","100","","100","","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C30 H46 N6 O10 -","- C30 H46 N6 O10 -","- C60 H92 N12 O20 -","2","0.5","","Tedesco, Consiglia; Macedi, Eleonora; Meli, Alessandra; Pierri, Giovanni; Della Sala, Giorgio; Drathen, Christina; Fitch, Andrew N.; Vaughan, Gavin B. M.; Izzo, Irene; De Riccardis, Francesco","Synthesis, crystallization, X-ray structural characterization and solid-state assembly of a cyclic hexapeptoid with propargyl and methoxyethyl side chains","Acta Crystallographica Section B","2017","73","3","399","412","10.1107/S2052520617002505","powder diffraction","","0.849893","synchrotron","","","","","","","","","0.0371","1.114","","","","","","","has coordinates","199059","2020-10-21","18:00:00",""
"2108114","24.0549","0.0003","4.1291","0.0006","11.3361","0.0016","90","0.005","90","0.006","90","0.005","1126","0.2","297.4","","297.4","","","","","","","","","4","P n m a","-P 2ac 2n","62","","","","- Cu0.966 Pb13.196 S24 Sb6.804 -","- Cu0.956 Pb13.1548 S24 Sb6.8448 -","- Cu0.956 Pb13.1548 S24 Sb6.8448 -","1","0.125","XK5035","Bindi, Luca; Petříček, Václav; Biagioni, Cristian; Plášil, Jakub; Moëlo, Yves","Could incommensurability in sulfosalts be more common than thought? The case of meneghinite, CuPb~13~Sb~7~S~24~","Acta Crystallographica Section B","2017","73","3","369","376","10.1107/S2052520617002657","","x-ray","0.71073","MoKα","","0.0682","0.0479","","","0.1076","0.1145","","","","2.21","2.21","1.97","","","","has coordinates,has Fobs","199060","2020-10-21","18:00:00",""
"2108115","7.4374","0.0009","10.2935","0.0012","16.536","0.002","105.237","0.01","101.641","0.01","95.607","0.012","1181","0.3","103","2","103","2","","","","","","","","6","P -1","-P 1","2","","","","- C24 H29 F4 I N2 O -","- C24 H29 F4 I N2 O -","- C48 H58 F8 I2 N4 O2 -","2","1","BM5091","Saccone, Marco; Siiskonen, Antti; Fernandez-Palacio, Franisco; Priimagi, Arri; Terraneo, Giancarlo; Resnati, Giuseppe; Metrangolo, Pierangelo","Halogen bonding stabilizes a <i>cis</i>-azobenzene derivative in the solid state: a crystallographic study","Acta Crystallographica Section B","2017","73","2","227","233","10.1107/S2052520617003444","","","0.71073","MoKα","","0.0379","0.0301","","","0.0749","0.0795","","","","","","1.071","","","","has coordinates,has Fobs","199061","2020-10-21","18:00:00",""
"2108116","8.5802","0.0016","33.663","0.005","8.752","0.002","90","","109.255","0.016","90","","2386.5","0.8","103","2","103","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C24 H29 F4 I N2 O -","- C24 H29 F4 I N2 O -","- C96 H116 F16 I4 N8 O4 -","4","1","","Saccone, Marco; Siiskonen, Antti; Fernandez-Palacio, Franisco; Priimagi, Arri; Terraneo, Giancarlo; Resnati, Giuseppe; Metrangolo, Pierangelo","Halogen bonding stabilizes a <i>cis</i>-azobenzene derivative in the solid state: a crystallographic study","Acta Crystallographica Section B","2017","73","2","227","233","10.1107/S2052520617003444","","","0.71073","MoKα","","0.0633","0.0367","","","0.0534","0.0587","","","","","","1.047","","","","has coordinates,has Fobs","199061","2020-10-21","18:00:00",""
"2108117","8.4086","0.0005","9.787","0.0005","11.0477","0.0006","90","","90","","90","","909.17","0.09","293","2","293","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C3 H14 N2 O4 S2 -","- C3 H14 N2 O4 S2 -","- C12 H56 N8 O16 S8 -","4","1","EB5057","Brozdowska, Agnieszka; Chojnacki, Jarosław","Chiral and achiral crystals, charge-assisted hydrogen-bond patterns and self-organization of selected solid diaminium thiosulfates","Acta Crystallographica Section B","2017","73","3","507","518","10.1107/S2052520617004802","","","0.71073","MoKα","","0.0427","0.0382","","","0.0905","0.093","","","","","","1.061","","","","has coordinates,has Fobs","199062","2020-10-21","18:00:00",""
"2108118","8.3714","0.0006","9.7607","0.001","10.9874","0.0012","90","","90","","90","","897.79","0.15","120","2","120","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C3 H14 N2 O4 S2 -","- C3 H14 N2 O4 S2 -","- C12 H56 N8 O16 S8 -","4","1","EB5057","Brozdowska, Agnieszka; Chojnacki, Jarosław","Chiral and achiral crystals, charge-assisted hydrogen-bond patterns and self-organization of selected solid diaminium thiosulfates","Acta Crystallographica Section B","2017","73","3","507","518","10.1107/S2052520617004802","","","0.71073","MoKα","","0.0515","0.0443","","","0.1018","0.1078","","","","","","1.044","","","","has coordinates,has Fobs","199062","2020-10-21","18:00:00",""
"2108119","15.4097","0.0008","8.0868","0.0004","15.4133","0.0013","90","","108.249","0.006","90","","1824.1","0.2","120","2","120","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C3 H14 N2 O4 S2 -","- C3 H14 N2 O4 S2 -","- C24 H112 N16 O32 S16 -","8","2","EB5057","Brozdowska, Agnieszka; Chojnacki, Jarosław","Chiral and achiral crystals, charge-assisted hydrogen-bond patterns and self-organization of selected solid diaminium thiosulfates","Acta Crystallographica Section B","2017","73","3","507","518","10.1107/S2052520617004802","","","0.71073","MoKα","","0.0515","0.0454","","","0.1115","0.1197","","","","","","1.046","","","","has coordinates,has Fobs","199062","2020-10-21","18:00:00",""
"2108120","6.0538","0.0005","8.5273","0.0006","9.3869","0.0008","73.623","0.007","82.681","0.007","84.207","0.007","460.05","0.07","120","2","120","2","","","","","","","","5","P -1","-P 1","2","","","","- C4 H14 N2 O3 S2 -","- C4 H14 N2 O3 S2 -","- C8 H28 N4 O6 S4 -","2","1","EB5057","Brozdowska, Agnieszka; Chojnacki, Jarosław","Chiral and achiral crystals, charge-assisted hydrogen-bond patterns and self-organization of selected solid diaminium thiosulfates","Acta Crystallographica Section B","2017","73","3","507","518","10.1107/S2052520617004802","","","0.71073","MoKα","","0.0725","0.0529","","","0.114","0.1335","","","","","","1.058","","","","has coordinates,has Fobs","199062","2020-10-21","18:00:00",""
"2108121","11.7872","0.0009","11.7872","0.0009","16.2851","0.0014","90","","90","","90","","2262.6","0.3","120","2","120","2","","","","","","","","5","P 43 21 2","P 4nw 2abw","96","","","","- C5 H16 N2 O3.5 S2 -","- C5 H16 N2 O3.4995 S2 -","- C40 H128 N16 O27.996 S16 -","8","1","EB5057","Brozdowska, Agnieszka; Chojnacki, Jarosław","Chiral and achiral crystals, charge-assisted hydrogen-bond patterns and self-organization of selected solid diaminium thiosulfates","Acta Crystallographica Section B","2017","73","3","507","518","10.1107/S2052520617004802","","","0.71073","MoKα","","0.0674","0.0594","","","0.1592","0.1674","","","","","","1.033","","","","has coordinates,has disorder,has Fobs","199062","2020-10-21","18:00:00",""
"2108122","10.4922","0.001","11.1455","0.0011","11.7015","0.0012","62.299","0.007","74.938","0.008","74.082","0.008","1150.9","0.2","120","2","120","2","","","","","","","","5","P -1","-P 1","2","","","","- C6 H18 N2 O3 S2 -","- C6 H18 N2 O3 S2 -","- C24 H72 N8 O12 S8 -","4","2","EB5057","Brozdowska, Agnieszka; Chojnacki, Jarosław","Chiral and achiral crystals, charge-assisted hydrogen-bond patterns and self-organization of selected solid diaminium thiosulfates","Acta Crystallographica Section B","2017","73","3","507","518","10.1107/S2052520617004802","","","0.71073","MoKα","","0.0857","0.0777","","","0.2308","0.2385","","","","","","1.173","","","","has coordinates,has Fobs","199062","2020-10-21","18:00:00",""
"2108123","5.9807","0.0005","14.139","0.001","14.2774","0.001","68.516","0.001","81.348","0.003","86.09","0.003","1110.53","0.14","110","2","110","2","","","","","","","","6","P -1","-P 1","2","","","","- C42 H18 F12 I6 N2 S2 -","- C42 H18 F12 I6 N2 S2 -","- C42 H18 F12 I6 N2 S2 -","1","0.5","AO5024","Wang, Hui; Jin, Wei Jun","Cocrystal assembled by 1,4-diiodotetrafluorobenzene and phenothiazine based on C—I···π/N/S halogen bond and other assisting interactions","Acta Crystallographica Section B","2017","73","2","210","216","10.1107/S2052520617002918","","","0.71073","MoKα","","0.0362","0.032","","","0.0698","0.0729","","","","","","1.088","","","","has coordinates,has Fobs","219800","2020-10-21","18:00:00",""
"2108124","15.3546","0.0007","5.8885","0.0003","11.9905","0.0005","90","","100.762","0.001","90","","1065.06","0.09","100","2","100","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","complex 1","","","- C10 H8 O8 Zn -","- C10 H8 O8 Zn -","- C40 H32 O32 Zn4 -","4","0.5","AO5021","Huang, Xianyu; Chen, Daoliang; He, Mingrui; Li, Jianfeng; Huang, Jiawei; Li, Baolin","Crystal structure and luminescent properties of novel coordination polymers constructed with bifurandicarboxylic acid","Acta Crystallographica Section B","2017","73","4","715","721","10.1107/S2052520617003870","","","0.71073","MoKα","","0.0203","0.0197","","","0.0517","0.052","","","","","","1.101","","","","has coordinates,has Fobs","209316","2020-10-21","18:00:00",""
"2108125","16.1578","0.0011","16.5129","0.0009","21.4877","0.0013","90","","90","","90","","5733.2","0.6","100","2","100","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","complex 2","","","- C26 H22 N2 O14 Zn2 -","- C26 H22 N2 O14 Zn2 -","- C208 H176 N16 O112 Zn16 -","8","1","","Huang, Xianyu; Chen, Daoliang; He, Mingrui; Li, Jianfeng; Huang, Jiawei; Li, Baolin","Crystal structure and luminescent properties of novel coordination polymers constructed with bifurandicarboxylic acid","Acta Crystallographica Section B","2017","73","4","715","721","10.1107/S2052520617003870","","","0.71073","MoKα","","0.0385","0.0276","","","0.0629","0.0682","","","","","","1.044","","","","has coordinates,has Fobs","209315","2020-10-21","18:00:00",""
"2108126","10.9131","0.0005","11.3385","0.0005","17.4385","0.0008","90","","94.215","0.002","90","","2151.97","0.17","100","2","100","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","complex 3","","","- C18 H24 Cd N2 O9 -","- C18 H24 Cd N2 O9 -","- C72 H96 Cd4 N8 O36 -","4","1","","Huang, Xianyu; Chen, Daoliang; He, Mingrui; Li, Jianfeng; Huang, Jiawei; Li, Baolin","Crystal structure and luminescent properties of novel coordination polymers constructed with bifurandicarboxylic acid","Acta Crystallographica Section B","2017","73","4","715","721","10.1107/S2052520617003870","","","0.71073","MoKα","","0.0201","0.0167","","","0.0394","0.0409","","","","","","1.061","","","","has coordinates,has Fobs","281689","2023-03-07","09:04:01",""
"2108127","5.5872","0.0004","6.6969","0.0005","10.5753","0.0008","77.217","0.002","74.884","0.002","70.434","0.002","356.02","0.05","100","2","100","2","","","","","","","","5","P -1","-P 1","2","complex 4","","","- C10 H16 Co N0 O12 -","- C10 H16 Co O12 -","- C10 H16 Co O12 -","1","0.5","","Huang, Xianyu; Chen, Daoliang; He, Mingrui; Li, Jianfeng; Huang, Jiawei; Li, Baolin","Crystal structure and luminescent properties of novel coordination polymers constructed with bifurandicarboxylic acid","Acta Crystallographica Section B","2017","73","4","715","721","10.1107/S2052520617003870","","","0.71073","MoKα","","0.0419","0.0404","","","0.1093","0.1106","","","","","","1.069","","","","has coordinates,has Fobs","209316","2020-10-21","18:00:00",""
"2108128","16.1449","0.0007","7.8881","0.0003","11.4702","0.0005","90","","128.842","0.004","90","","1137.75","0.1","293","2","293","2","","","","","","","","5","C 1 2 1","C 2y","5","","","","- C12 H29 Br2 Ca O15 -","- C12 H29 Br2 Ca O15 -","- C24 H58 Br4 Ca2 O30 -","2","0.5","AO5028","Marabello, Domenica; Antoniotti, Paola; Benzi, Paola; Canepa, Carlo; Mortati, Leonardo; Sassi, Maria Paola","Synthesis, structure and non-linear optical properties of new isostructural β-<small>D</small>-fructopyranose alkaline halide metal‒organic frameworks: a theoretical and an experimental study","Acta Crystallographica Section B","2017","73","4","737","743","10.1107/S2052520617005285","","","0.71073","MoKα","","0.0406","0.0335","","","0.0716","0.076","","","","","","1.049","","","","has coordinates,has Fobs","199399","2020-10-21","18:00:00",""
"2108129","16.439","0.0012","8.024","0.0005","11.1931","0.0008","90","","128.142","0.007","90","","1161.2","0.18","293","2","293","2","","","","","","","","5","C 1 2 1","C 2y","5","","","","- C12 H29 Br2 O15 Sr -","- C12 H29 Br2 O15 Sr -","- C24 H58 Br4 O30 Sr2 -","2","0.5","","Marabello, Domenica; Antoniotti, Paola; Benzi, Paola; Canepa, Carlo; Mortati, Leonardo; Sassi, Maria Paola","Synthesis, structure and non-linear optical properties of new isostructural β-<small>D</small>-fructopyranose alkaline halide metal‒organic frameworks: a theoretical and an experimental study","Acta Crystallographica Section B","2017","73","4","737","743","10.1107/S2052520617005285","","","0.71073","MoKα","","0.0781","0.0497","","","0.0805","0.0961","","","","","","1.002","","","","has coordinates,has Fobs","199399","2020-10-21","18:00:00",""
"2108130","7.84809","0.00013","5.89857","0.00012","14.6898","0.0003","90","","100.338","0.0018","90","","668.99","0.02","100","2","100","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C7 H6 O2 S -","- C7 H6 O2 S -","- C28 H24 O8 S4 -","4","1","LC5088","Pavan, Mysore. S; Sarkar, Sounak; Row, Tayur N. Guru","Exploring the rare S—H···S hydrogen bond using charge density analysis in isomers of mercaptobenzoic acid","Acta Crystallographica Section B","2017","73","4","626","633","10.1107/S2052520617008344","","","0.71073","MoKα","","0.0451","0.0331","","","0.0869","0.0933","","","","","","1.049","","","","has coordinates,has Fobs","199400","2020-10-21","18:00:00",""
"2108131","4.7811","0.001","5.7441","0.0009","25.353","0.005","90","","94.49","0.02","90","","694.1","0.2","100","2","293","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C7 H6 O2 S -","- C7 H6 O2 S -","- C28 H24 O8 S4 -","4","1","","Pavan, Mysore. S; Sarkar, Sounak; Row, Tayur N. Guru","Exploring the rare S—H···S hydrogen bond using charge density analysis in isomers of mercaptobenzoic acid","Acta Crystallographica Section B","2017","73","4","626","633","10.1107/S2052520617008344","","","0.71073","MoKα","","0.1189","0.0715","","","0.1503","0.1781","","","","","","1.033","","","","has coordinates,has Fobs","199400","2020-10-21","18:00:00",""
"2108132","3.863","0.0003","6.0337","0.0006","14.4721","0.001","91.302","0.007","93.062","0.007","92.925","0.008","336.29","0.05","120","2","120","2","","","","","","","","4","P -1","-P 1","2","","","","- C7 H6 O2 S -","- C7 H6 O2 S -","- C14 H12 O4 S2 -","2","1","","Pavan, Mysore. S; Sarkar, Sounak; Row, Tayur N. Guru","Exploring the rare S—H···S hydrogen bond using charge density analysis in isomers of mercaptobenzoic acid","Acta Crystallographica Section B","2017","73","4","626","633","10.1107/S2052520617008344","","","0.71073","MoKα","","0.054","0.0408","","","0.0952","0.1037","","","","","","1.061","","","","has coordinates,has Fobs","199400","2020-10-21","18:00:00",""
"2108133","7.446","0.0003","8.8942","0.0004","9.2799","0.0006","114.992","0.003","94.904","0.004","108.68","0.003","509.94","0.05","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","","","- C18 H12 N6 Ni S4 -","- C18 H12 N6 Ni S4 -","- C18 H12 N6 Ni S4 -","1","0.5","LC5076","Chuang, Yu-Chun; Sheu, Chou-Fu; Lee, Gene-Hsiang; Chen, Yu-Sheng; Wang, Yu","Charge density studies of 3<i>d</i> metal (Ni/Cu) complexes with a non-innocent ligand","Acta Crystallographica Section B","2017","73","4","634","642","10.1107/S2052520617007119","","","0.71073","MoKα","","0.0217","0.019","","","0.0551","0.0568","","","","","","1.113","","","","has coordinates,has Fobs","199401","2020-10-21","18:00:00",""
"2108134","16.1805","0.001","6.3567","0.0005","17.0872","0.0007","90","","116.837","0.005","90","","1568.2","0.18","100","2","100","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C13 H6 N5 Ni S4 -","- C13 H6 N5 Ni S4 -","- C52 H24 N20 Ni4 S16 -","4","1","","Chuang, Yu-Chun; Sheu, Chou-Fu; Lee, Gene-Hsiang; Chen, Yu-Sheng; Wang, Yu","Charge density studies of 3<i>d</i> metal (Ni/Cu) complexes with a non-innocent ligand","Acta Crystallographica Section B","2017","73","4","634","642","10.1107/S2052520617007119","","","0.71073","MoKα","","0.0367","0.0287","","","0.0775","0.0807","","","","","","1.283","","","","has coordinates,has Fobs","199401","2020-10-21","18:00:00",""
"2108135","7.5458","0.0003","9.0111","0.0007","9.2574","0.0003","115.334","0.004","95.223","0.004","108.563","0.004","520.01","0.06","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","","","- C18 H12 Cu N6 S4 -","- C18 H12 Cu N6 S4 -","- C18 H12 Cu N6 S4 -","1","0.5","","Chuang, Yu-Chun; Sheu, Chou-Fu; Lee, Gene-Hsiang; Chen, Yu-Sheng; Wang, Yu","Charge density studies of 3<i>d</i> metal (Ni/Cu) complexes with a non-innocent ligand","Acta Crystallographica Section B","2017","73","4","634","642","10.1107/S2052520617007119","","","0.71073","MoKα","","0.026","0.0222","","","0.0658","0.0675","","","","","","1.142","","","","has coordinates,has Fobs","199401","2020-10-21","18:00:00",""
"2108136","17.418","0.004","6.1838","0.0012","18.165","0.004","90","","126.93","0.03","90","","1564","0.8","100","2","100","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C13 H6 Cu N5 S4 -","- C13 H6 Cu N5 S4 -","- C52 H24 Cu4 N20 S16 -","4","1","","Chuang, Yu-Chun; Sheu, Chou-Fu; Lee, Gene-Hsiang; Chen, Yu-Sheng; Wang, Yu","Charge density studies of 3<i>d</i> metal (Ni/Cu) complexes with a non-innocent ligand","Acta Crystallographica Section B","2017","73","4","634","642","10.1107/S2052520617007119","","","0.71073","MoKα","","0.0687","0.0358","","","0.0654","0.0748","","","","","","1.077","","","","has coordinates,has Fobs","199401","2020-10-21","18:00:00",""
"2108137","7.4307","0.0002","8.9072","0.0002","9.2445","0.0002","115.167","0.001","94.727","0.001","108.525","0.001","507.94","0.02","15","2","15","2","","","","","","","","5","P -1","-P 1","2","","","","- C18 H12 N6 Ni S4 -","- C18 H12 N6 Ni S4 -","- C18 H12 N6 Ni S4 -","1","0.5","","Chuang, Yu-Chun; Sheu, Chou-Fu; Lee, Gene-Hsiang; Chen, Yu-Sheng; Wang, Yu","Charge density studies of 3<i>d</i> metal (Ni/Cu) complexes with a non-innocent ligand","Acta Crystallographica Section B","2017","73","4","634","642","10.1107/S2052520617007119","","","0.41328","","","0.0219","0.0192","","","0.0561","0.0577","","","","","","1.047","","","","has coordinates,has Fobs","199401","2020-10-21","18:00:00",""
"2108138","16.0654","0.0005","6.3464","0.0002","17.0333","0.0005","90","","116.606","0.001","90","","1552.77","0.08","15","2","15","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C13 H6 N5 Ni S4 -","- C13 H6 N5 Ni S4 -","- C52 H24 N20 Ni4 S16 -","4","1","","Chuang, Yu-Chun; Sheu, Chou-Fu; Lee, Gene-Hsiang; Chen, Yu-Sheng; Wang, Yu","Charge density studies of 3<i>d</i> metal (Ni/Cu) complexes with a non-innocent ligand","Acta Crystallographica Section B","2017","73","4","634","642","10.1107/S2052520617007119","","","0.41328","","","0.0286","0.0229","","","0.0599","0.0623","","","","","","1.019","","","","has coordinates,has Fobs","199401","2020-10-21","18:00:00",""
"2108139","12.655","0.003","7.6693","0.0019","15.934","0.004","90","","106.636","0.005","90","","1481.7","0.6","296.15","","296.15","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C13 H15 Co N2 O7 -","- C13 H15 Co N2 O7 -","- C52 H60 Co4 N8 O28 -","4","1","LC5089","Cox, Jordan M.; Walton, Ian M.; Bateman, Gage; Benson, Cassidy A.; Mitchell, Travis; Sylvester, Eric; Chen, Yu-Sheng; Benedict, Jason B.","Solvent exchange in a metal‒organic framework single crystal monitored by dynamic <i>in situ</i> X-ray diffraction","Acta Crystallographica Section B","2017","73","4","669","674","10.1107/S2052520617008447","","","0.40651","synchrotron","","0.1163","0.058","","","0.118","0.1419","","","","","","1.013","","","","has coordinates,has Fobs","199402","2020-10-21","18:00:00",""
"2108140","12.899","0.009","7.638","0.007","16.085","0.011","90","","108.337","0.011","90","","1504","2","296.15","","296.15","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C15 H17 Co N2 O6 -","- C15 H17 Co N2 O6 -","- C60 H68 Co4 N8 O24 -","4","1","","Cox, Jordan M.; Walton, Ian M.; Bateman, Gage; Benson, Cassidy A.; Mitchell, Travis; Sylvester, Eric; Chen, Yu-Sheng; Benedict, Jason B.","Solvent exchange in a metal‒organic framework single crystal monitored by dynamic <i>in situ</i> X-ray diffraction","Acta Crystallographica Section B","2017","73","4","669","674","10.1107/S2052520617008447","","","0.40651","synchrotron","","0.1385","0.0859","","","0.174","0.1976","","","","","","1.106","","","","has coordinates,has Fobs","199402","2020-10-21","18:00:00",""
"2108141","12.631","0.002","7.5996","0.0014","16.109","0.003","90","","109.223","0.003","90","","1460.1","0.4","296.15","","296.15","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C15 H15 Co N2 O5 -","- C15 H15 Co N2 O5 -","- C60 H60 Co4 N8 O20 -","4","1","","Cox, Jordan M.; Walton, Ian M.; Bateman, Gage; Benson, Cassidy A.; Mitchell, Travis; Sylvester, Eric; Chen, Yu-Sheng; Benedict, Jason B.","Solvent exchange in a metal‒organic framework single crystal monitored by dynamic <i>in situ</i> X-ray diffraction","Acta Crystallographica Section B","2017","73","4","669","674","10.1107/S2052520617008447","","","0.40651","synchrotron","","0.1074","0.0722","","","0.1623","0.1788","","","","","","1.082","","","","has coordinates,has Fobs","199402","2020-10-21","18:00:00",""
"2108142","11.4405","0.0003","11.4405","0.0003","11.4405","0.0003","90","","90","","90","","1497.39","0.07","30","0.3","30","0.3","","","","","","","","4","I a -3 d","-I 4bd 2c 3","230","pyrope","","","- Al2 Mg3 O12 Si3 -","- Al2 Mg3 O12 Si3 -","- Al16 Mg24 O96 Si24 -","8","0.0833333","PI5032","Destro, Riccardo; Ruffo, Riccardo; Roversi, Pietro; Soave, Raffaella; Loconte, Laura; Lo Presti, Leonardo","Anharmonic motions <i>versus</i> dynamic disorder at the Mg ion from the charge densities in pyrope (Mg~3~Al~2~Si~3~O~12~) crystals at 30K: six of one, half a dozen of the other","Acta Crystallographica Section B","2017","73","4","722","736","10.1107/S2052520617006102","","","0.71073","MoKα","","0.0084","0.0084","","","0.0081","0.0081","","","","","","0.7596","","","","has coordinates","199403","2020-10-21","18:00:00",""
"2108143","9.34","","19.482","","8.634","","90","","115.13","","90","","1422.35","","","","293","2","","","","","","","","5","P 1 21/a 1","-P 2yab","14","","","","- C28 H38 N4 O4 S2 -","- C28 H38 N4 O4 S2 -","- C56 H76 N8 O8 S4 -","2","0.5","XF5001","Voufack, Ariste Bolivard; Claiser, Nicolas; Lecomte, Claude; Pillet, Sébastien; Pontillon, Yves; Gillon, Béatrice; Yan, Zeyin; Gillet, Jean-Michel; Marazzi, Marco; Genoni, Alessandro; Souhassou, Mohamed","When combined X-ray and polarized neutron diffraction data challenge high-level calculations: spin-resolved electron density of an organic radical","Acta Crystallographica Section B","2017","73","4","544","549","10.1107/S2052520617008241","","","0.71073","MoKα","","","","","","","","","","","","","","","","","has coordinates,has Fobs","199404","2020-10-21","18:00:00",""
"2108144","8.8423","0.0005","12.2033","0.0016","9.1817","0.0012","90","","92.78","0.006","90","","989.59","0.19","293","2","293","2","","","1800000","","","","","3","P 1 21/n 1","-P 2yn","14","","","","- C16 H10 O2 -","- C16 H10 O2 -","- C64 H40 O8 -","4","1","","Casati, Nicola; Genoni, Alessandro; Meyer, Benjamin; Krawczuk, Anna; Macchi, Piero","Exploring charge density analysis in crystals at high pressure: data collection, data analysis and advanced modelling","Acta Crystallographica Section B","2017","73","4","584","597","10.1107/S2052520617008356","","","0.31","synchrotron","","0.1033","0.0691","","","0.1865","0.2239","","","","","","1.052","","","","has coordinates","199405","2020-10-21","18:00:00",""
"2108145","8.7168","0.0004","11.8642","0.0013","8.8601","0.001","90","","92.569","0.005","90","","915.37","0.15","293","2","293","2","","","4350000","","","","","3","P 1 21/n 1","-P 2yn","14","","","","- C16 H10 O2 -","- C16 H10 O2 -","- C64 H40 O8 -","4","1","","Casati, Nicola; Genoni, Alessandro; Meyer, Benjamin; Krawczuk, Anna; Macchi, Piero","Exploring charge density analysis in crystals at high pressure: data collection, data analysis and advanced modelling","Acta Crystallographica Section B","2017","73","4","584","597","10.1107/S2052520617008356","","","0.31","synchrotron","","0.0943","0.0687","","","0.1754","0.2044","","","","","","1.073","","","","has coordinates","199405","2020-10-21","18:00:00",""
"2108146","8.6563","0.0004","11.7038","0.0012","8.714","0.001","90","","92.652","0.006","90","","881.88","0.14","293","2","293","2","","","5800000","","","","","3","P 1 21/n 1","-P 2yn","14","","","","- C16 H10 O2 -","- C16 H10 O2 -","- C64 H40 O8 -","4","1","","Casati, Nicola; Genoni, Alessandro; Meyer, Benjamin; Krawczuk, Anna; Macchi, Piero","Exploring charge density analysis in crystals at high pressure: data collection, data analysis and advanced modelling","Acta Crystallographica Section B","2017","73","4","584","597","10.1107/S2052520617008356","","","0.31","synchrotron","","0.0859","0.0635","","","0.1495","0.1734","","","","","","1.066","","","","has coordinates","199405","2020-10-21","18:00:00",""
"2108147","8.5923","0.0005","11.5463","0.0014","8.584","0.001","90","","92.826","0.006","90","","850.58","0.15","293","2","293","2","","","7950000","","","","","3","P 1 21/n 1","-P 2yn","14","","","","- C16 H10 O2 -","- C16 H10 O2 -","- C64 H40 O8 -","4","1","","Casati, Nicola; Genoni, Alessandro; Meyer, Benjamin; Krawczuk, Anna; Macchi, Piero","Exploring charge density analysis in crystals at high pressure: data collection, data analysis and advanced modelling","Acta Crystallographica Section B","2017","73","4","584","597","10.1107/S2052520617008356","","","0.31","synchrotron","","0.086","0.0596","","","0.1321","0.153","","","","","","1.053","","","","has coordinates","199405","2020-10-21","18:00:00",""
"2108148","8.5652","0.0005","11.4704","0.0016","8.5109","0.0012","90","","92.95","0.008","90","","835.06","0.17","293","2","293","2","","","9500000","","","","","3","P 1 21/n 1","-P 2yn","14","","","","- C16 H10 O2 -","- C16 H10 O2 -","- C64 H40 O8 -","4","1","","Casati, Nicola; Genoni, Alessandro; Meyer, Benjamin; Krawczuk, Anna; Macchi, Piero","Exploring charge density analysis in crystals at high pressure: data collection, data analysis and advanced modelling","Acta Crystallographica Section B","2017","73","4","584","597","10.1107/S2052520617008356","","","0.31","synchrotron","","0.0883","0.0525","","","0.1262","0.1499","","","","","","1.039","","","","has coordinates","199405","2020-10-21","18:00:00",""
"2108149","8.6187","0.0003","11.5861","0.0006","8.6105","0.0003","90","","92.788","0.003","90","","858.8","0.06","293","2","293","2","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","","","- C16 H10 O2 -","- C16 H10 O2 -","- C64 H40 O8 -","4","1","","Casati, Nicola; Genoni, Alessandro; Meyer, Benjamin; Krawczuk, Anna; Macchi, Piero","Exploring charge density analysis in crystals at high pressure: data collection, data analysis and advanced modelling","Acta Crystallographica Section B","2017","73","4","584","597","10.1107/S2052520617008356","","","0.31073","","","0.138","0.068","","","","0.063","","","","","","1.798","","","","has coordinates","199406","2020-10-21","18:00:00",""
"2108150","8.063","0.0003","10.4358","0.0005","16.0092","0.0007","90","","90","","90","","1347.08","0.1","100","","100","","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C9 H12 K N2 O9 P -","- C9 H12 K N2 O9 P -","- C36 H48 K4 N8 O36 P4 -","4","1","LC5080","Jarzembska, Katarzyna N.; Ślepokura, Katarzyna; Kamiński, Radosław; Gutmann, Matthias J.; Dominiak, Paulina M.; Woźniak, Krzysztof","Multi-temperature study of potassium uridine-5'-monophosphate: electron density distribution and anharmonic motion modelling","Acta Crystallographica Section B","2017","73","4","550","564","10.1107/S2052520617005534","","","0.71073","MoKα","","0.0124","0.011","","","0.0141","0.0141","","","","","","0.844","","","","has coordinates","199407","2020-10-21","18:00:00",""
"2108151","8.0754","0.0016","10.387","0.002","16","0.003","90","","90","","90","","1342.1","0.4","10","","10","","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C9 H12 K N2 O9 P -","- C9 H12 K N2 O9 P -","- C36 H48 K4 N8 O36 P4 -","4","1","","Jarzembska, Katarzyna N.; Ślepokura, Katarzyna; Kamiński, Radosław; Gutmann, Matthias J.; Dominiak, Paulina M.; Woźniak, Krzysztof","Multi-temperature study of potassium uridine-5'-monophosphate: electron density distribution and anharmonic motion modelling","Acta Crystallographica Section B","2017","73","4","550","564","10.1107/S2052520617005534","","","","neutron","","0.0827","0.0811","","","0.0868","0.0885","","","","","","2.74","","","","has coordinates","199407","2020-10-21","18:00:00",""
"2108152","8.0778","0.0002","10.4023","0.0003","16.0137","0.0004","90","","90","","90","","1345.59","0.06","10","","10","","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C9 H12 K N2 O9 P -","- C9 H12 K N2 O9 P -","- C36 H48 K4 N8 O36 P4 -","4","1","","Jarzembska, Katarzyna N.; Ślepokura, Katarzyna; Kamiński, Radosław; Gutmann, Matthias J.; Dominiak, Paulina M.; Woźniak, Krzysztof","Multi-temperature study of potassium uridine-5'-monophosphate: electron density distribution and anharmonic motion modelling","Acta Crystallographica Section B","2017","73","4","550","564","10.1107/S2052520617005534","","","0.71073","MoKα","","0.0154","0.0148","","","0.018","0.018","","","","","","0.836","","","","has coordinates","199407","2020-10-21","18:00:00",""
"2108153","8.067","0.0002","10.4871","0.0003","16.0561","0.0004","90","","90","","90","","1358.34","0.06","200","","200","","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C9 H12 K N2 O9 P -","- C9 H12 K N2 O9 P -","- C36 H48 K4 N8 O36 P4 -","4","1","","Jarzembska, Katarzyna N.; Ślepokura, Katarzyna; Kamiński, Radosław; Gutmann, Matthias J.; Dominiak, Paulina M.; Woźniak, Krzysztof","Multi-temperature study of potassium uridine-5'-monophosphate: electron density distribution and anharmonic motion modelling","Acta Crystallographica Section B","2017","73","4","550","564","10.1107/S2052520617005534","","","0.71073","MoKα","","0.0232","0.0171","","","0.0185","0.0185","","","","","","0.893","","","","has coordinates","199407","2020-10-21","18:00:00",""
"2108154","8.0835","0.0002","10.5221","0.0003","16.0738","0.0004","90","","90","","90","","1367.16","0.06","300","","300","","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C9 H12 K N2 O9 P -","- C9 H12 K N2 O9 P -","- C36 H48 K4 N8 O36 P4 -","4","1","","Jarzembska, Katarzyna N.; Ślepokura, Katarzyna; Kamiński, Radosław; Gutmann, Matthias J.; Dominiak, Paulina M.; Woźniak, Krzysztof","Multi-temperature study of potassium uridine-5'-monophosphate: electron density distribution and anharmonic motion modelling","Acta Crystallographica Section B","2017","73","4","550","564","10.1107/S2052520617005534","","","0.71073","MoKα","","0.0336","0.0194","","","0.0222","0.0222","","","","","","1.043","","","","has coordinates","199407","2020-10-21","18:00:00",""
"2108158","5.707","0.002","4.82","0.002","11.436","0.002","90","","94.75","0.05","90","","313.5","0.18","293","2","293","2","0.5","","","","","","Sigma Aldrich","3","P 1 21/c 1","-P 2ybc","14","Phosphoric acid","Phosphoric acid","","- H3 O4 P -","- H3 O4 P -","- H12 O16 P4 -","4","1","","Bull, Craig L.; Funnell, Nicholas P.; Pulham, Colin R.; Marshall, William G.; Allan, David R.","A new high-pressure polymorph of phosphoric acid","Acta Crystallographica Section B","2017","73","6","1068","1074","10.1107/S205252061701441X","","","0.71073","MoKα","","0.0989","0.072","","","0.186","0.2169","","","","","","0.982","","","","has coordinates","205692","2020-10-21","18:00:00",""
"2108159","4.619","0.005","8.479","0.017","14.38","0.03","90","","90","","90","","563.2","1.7","293","2","293","2","1.8","","","","","","Sigma Aldrich","3","P 21 21 21","P 2ac 2ab","19","Phosphoric acid","Phosphoric acid","","- H3 O4 P -","- H3 O4 P -","- H24 O32 P8 -","8","2","","Bull, Craig L.; Funnell, Nicholas P.; Pulham, Colin R.; Marshall, William G.; Allan, David R.","A new high-pressure polymorph of phosphoric acid","Acta Crystallographica Section B","2017","73","6","1068","1074","10.1107/S205252061701441X","","","0.71073","MoKα","","0.169","0.1219","","","0.2702","0.3223","","","","","","1.104","","","","has coordinates","205692","2020-10-21","18:00:00",""
"2108160","5.7493","0.0005","4.83921","0.00033","11.617","0.0008","90","","95.15","0.007","90","","321.9","0.04","295","","295","","0.01","","","","","","Sigma Aldrich","3","P 1 21/c 1","-P 2ybc","14","Phosphoric acid","Phosphoric acid","","- D3 O4 P -","- D3 O4 P -","- D12 O16 P4 -","4","1","","Bull, Craig L.; Funnell, Nicholas P.; Pulham, Colin R.; Marshall, William G.; Allan, David R.","A new high-pressure polymorph of phosphoric acid","Acta Crystallographica Section B","2017","73","6","1068","1074","10.1107/S205252061701441X","powder diffraction","","","Neutron","","","","","","","","0.1901","","1.13","","","","","","","has coordinates","205692","2020-10-21","18:00:00",""
"2108161","5.6927","0.0004","4.81609","0.00027","11.4468","0.0007","90","","94.704","0.006","90","","312.77","0.03","295","","295","","0.44","","","","","","Sigma Aldrich","3","P 1 21/c 1","-P 2ybc","14","Phosphoric acid","Phosphoric acid","","- D3 O4 P -","- D3 O4 P -","- D12 O16 P4 -","4","1","","Bull, Craig L.; Funnell, Nicholas P.; Pulham, Colin R.; Marshall, William G.; Allan, David R.","A new high-pressure polymorph of phosphoric acid","Acta Crystallographica Section B","2017","73","6","1068","1074","10.1107/S205252061701441X","powder diffraction","","","Neutron","","","","","","","","0.2216","","1.27","","","","","","","has coordinates","205692","2020-10-21","18:00:00",""
"2108162","5.6334","0.0004","4.78996","0.00032","11.3055","0.0008","90","","94.255","0.007","90","","304.22","0.04","295","","295","","0.93","","","","","","Sigma Aldrich","3","P 1 21/c 1","-P 2ybc","14","Phosphoric acid","Phosphoric acid","","- D3 O4 P -","- D3 O4 P -","- D12 O16 P4 -","4","1","","Bull, Craig L.; Funnell, Nicholas P.; Pulham, Colin R.; Marshall, William G.; Allan, David R.","A new high-pressure polymorph of phosphoric acid","Acta Crystallographica Section B","2017","73","6","1068","1074","10.1107/S205252061701441X","powder diffraction","","","Neutron","","","","","","","","0.1966","","1.33","","","","","","","has coordinates","205692","2020-10-21","18:00:00",""
"2108163","5.5686","0.0004","4.7647","0.0004","11.1762","0.0009","90","","93.81","0.007","90","","295.88","0.04","295","","295","","1.5","","","","","","Sigma Aldrich","3","P 1 21/c 1","-P 2ybc","14","Phosphoric acid","Phosphoric acid","","- D3 O4 P -","- D3 O4 P -","- D12 O16 P4 -","4","1","","Bull, Craig L.; Funnell, Nicholas P.; Pulham, Colin R.; Marshall, William G.; Allan, David R.","A new high-pressure polymorph of phosphoric acid","Acta Crystallographica Section B","2017","73","6","1068","1074","10.1107/S205252061701441X","powder diffraction","","","Neutron","","","","","","","","0.159","","1.3","","","","","","","has coordinates","205692","2020-10-21","18:00:00",""
"2108164","5.5356","0.0005","4.7522","0.0004","11.1169","0.0009","90","","93.561","0.008","90","","291.88","0.04","295","","295","","1.79","","","","","","Sigma Aldrich","3","P 1 21/c 1","-P 2ybc","14","Phosphoric acid","Phosphoric acid","","- D3 O4 P -","- D3 O4 P -","- D12 O16 P4 -","4","1","","Bull, Craig L.; Funnell, Nicholas P.; Pulham, Colin R.; Marshall, William G.; Allan, David R.","A new high-pressure polymorph of phosphoric acid","Acta Crystallographica Section B","2017","73","6","1068","1074","10.1107/S205252061701441X","powder diffraction","","","Neutron","","","","","","","","0.1683","","1.28","","","","","","","has coordinates","205692","2020-10-21","18:00:00",""
"2108165","5.5049","0.0005","4.7401","0.0004","11.0668","0.001","90","","93.355","0.009","90","","288.28","0.04","295","","295","","2.09","","","","","","Sigma Aldrich","3","P 1 21/c 1","-P 2ybc","14","Phosphoric acid","Phosphoric acid","","- D3 O4 P -","- D3 O4 P -","- D12 O16 P4 -","4","1","","Bull, Craig L.; Funnell, Nicholas P.; Pulham, Colin R.; Marshall, William G.; Allan, David R.","A new high-pressure polymorph of phosphoric acid","Acta Crystallographica Section B","2017","73","6","1068","1074","10.1107/S205252061701441X","powder diffraction","","","Neutron","","","","","","","","0.1481","","1.35","","","","","","","has coordinates","205692","2020-10-21","18:00:00",""
"2108166","5.4357","0.0006","4.7148","0.0005","10.9698","0.0012","90","","92.874","0.011","90","","280.78","0.05","295","","295","","2.79","","","","","","Sigma Aldrich","3","P 1 21/c 1","-P 2ybc","14","Phosphoric acid","Phosphoric acid","","- D3 O4 P -","- D3 O4 P -","- D12 O16 P4 -","4","1","","Bull, Craig L.; Funnell, Nicholas P.; Pulham, Colin R.; Marshall, William G.; Allan, David R.","A new high-pressure polymorph of phosphoric acid","Acta Crystallographica Section B","2017","73","6","1068","1074","10.1107/S205252061701441X","powder diffraction","","","Neutron","","","","","","","","0.1492","","1.35","","","","","","","has coordinates","205692","2020-10-21","18:00:00",""
"2108167","5.403","0.0007","4.7036","0.0006","10.9238","0.0014","90","","92.633","0.013","90","","277.32","0.06","295","","295","","3.17","","","","","","Sigma Aldrich","3","P 1 21/c 1","-P 2ybc","14","Phosphoric acid","Phosphoric acid","","- D3 O4 P -","- D3 O4 P -","- D12 O16 P4 -","4","1","","Bull, Craig L.; Funnell, Nicholas P.; Pulham, Colin R.; Marshall, William G.; Allan, David R.","A new high-pressure polymorph of phosphoric acid","Acta Crystallographica Section B","2017","73","6","1068","1074","10.1107/S205252061701441X","powder diffraction","","","Neutron","","","","","","","","0.1145","","1.36","","","","","","","has coordinates","205692","2020-10-21","18:00:00",""
"2108168","5.7466","0.0008","4.8378","0.0007","11.6028","0.0015","90","","95.107","0.013","90","","321.29","0.08","295","","295","","0.04","","","","","","Sigma Aldrich","3","P 1 21/c 1","-P 2ybc","14","Phosphoric acid","Phosphoric acid","","- D3 O4 P -","- D3 O4 P -","- D12 O16 P4 -","4","1","","Bull, Craig L.; Funnell, Nicholas P.; Pulham, Colin R.; Marshall, William G.; Allan, David R.","A new high-pressure polymorph of phosphoric acid","Acta Crystallographica Section B","2017","73","6","1068","1074","10.1107/S205252061701441X","powder diffraction","","","Neutron","","","","","","","","0.3058","","0.87","","","","","","","has coordinates","205692","2020-10-21","18:00:00",""
"2108169","4.6648","0.0004","8.6057","0.0007","14.5932","0.0011","90","","90","","90","","585.83","0.08","295","","295","","0.86","","","","","","Sigma Aldrich","3","P 21 21 21","P 2ac 2ab","19","Phosphoric acid","Phosphoric acid","","- D3 O4 P -","- D3 O4 P -","- D24 O32 P8 -","8","2","","Bull, Craig L.; Funnell, Nicholas P.; Pulham, Colin R.; Marshall, William G.; Allan, David R.","A new high-pressure polymorph of phosphoric acid","Acta Crystallographica Section B","2017","73","6","1068","1074","10.1107/S205252061701441X","powder diffraction","","","Neutron","","","","","","","","0.1366","","1.32","","","","","","","has coordinates","205692","2020-10-21","18:00:00",""
"2108170","4.6494","0.0005","8.558","0.0009","14.5078","0.0014","90","","90","","90","","577.26","0.1","295","","295","","1.24","","","","","","Sigma Aldrich","3","P 21 21 21","P 2ac 2ab","19","Phosphoric acid","Phosphoric acid","","- D3 O4 P -","- D3 O4 P -","- D24 O32 P8 -","8","2","","Bull, Craig L.; Funnell, Nicholas P.; Pulham, Colin R.; Marshall, William G.; Allan, David R.","A new high-pressure polymorph of phosphoric acid","Acta Crystallographica Section B","2017","73","6","1068","1074","10.1107/S205252061701441X","powder diffraction","","","Neutron","","","","","","","","0.1263","","1.34","","","","","","","has coordinates","205692","2020-10-21","18:00:00",""
"2108171","4.6332","0.0006","8.5169","0.001","14.4323","0.0015","90","","90","","90","","569.51","0.12","295","","295","","1.65","","","","","","Sigma Aldrich","3","P 21 21 21","P 2ac 2ab","19","Phosphoric acid","Phosphoric acid","","- D3 O4 P -","- D3 O4 P -","- D24 O32 P8 -","8","2","","Bull, Craig L.; Funnell, Nicholas P.; Pulham, Colin R.; Marshall, William G.; Allan, David R.","A new high-pressure polymorph of phosphoric acid","Acta Crystallographica Section B","2017","73","6","1068","1074","10.1107/S205252061701441X","powder diffraction","","","Neutron","","","","","","","","0.0979","","1.31","","","","","","","has coordinates","205692","2020-10-21","18:00:00",""
"2108172","4.6206","0.0005","8.481","0.0009","14.388","0.0014","90","","90","","90","","563.83","0.1","295","","295","","1.97","","","","","","Sigma Aldrich","3","P 21 21 21","P 2ac 2ab","19","Phosphoric acid","Phosphoric acid","","- D3 O4 P -","- D3 O4 P -","- D24 O32 P8 -","8","2","","Bull, Craig L.; Funnell, Nicholas P.; Pulham, Colin R.; Marshall, William G.; Allan, David R.","A new high-pressure polymorph of phosphoric acid","Acta Crystallographica Section B","2017","73","6","1068","1074","10.1107/S205252061701441X","powder diffraction","","","Neutron","","","","","","","","0.1002","","1.2","","","","","","","has coordinates","205692","2020-10-21","18:00:00",""
"2108173","4.6022","0.0005","8.4597","0.0009","14.3291","0.0014","90","","90","","90","","557.88","0.1","295","","295","","2.32","","","","","","Sigma Aldrich","3","P 21 21 21","P 2ac 2ab","19","Phosphoric acid","Phosphoric acid","","- D3 O4 P -","- D3 O4 P -","- D24 O32 P8 -","8","2","","Bull, Craig L.; Funnell, Nicholas P.; Pulham, Colin R.; Marshall, William G.; Allan, David R.","A new high-pressure polymorph of phosphoric acid","Acta Crystallographica Section B","2017","73","6","1068","1074","10.1107/S205252061701441X","powder diffraction","","","Neutron","","","","","","","","0.1086","","1.2","","","","","","","has coordinates","205692","2020-10-21","18:00:00",""
"2108174","4.598","0.0006","8.4429","0.001","14.3036","0.0016","90","","90","","90","","555.27","0.12","295","","295","","2.45","","","","","","Sigma Aldrich","3","P 21 21 21","P 2ac 2ab","19","Phosphoric acid","Phosphoric acid","","- D3 O4 P -","- D3 O4 P -","- D24 O32 P8 -","8","2","","Bull, Craig L.; Funnell, Nicholas P.; Pulham, Colin R.; Marshall, William G.; Allan, David R.","A new high-pressure polymorph of phosphoric acid","Acta Crystallographica Section B","2017","73","6","1068","1074","10.1107/S205252061701441X","powder diffraction","","","Neutron","","","","","","","","0.1559","","1.02","","","","","","","has coordinates","205692","2020-10-21","18:00:00",""
"2108175","4.5932","0.0005","8.4323","0.0008","14.2795","0.0013","90","","90","","90","","553.06","0.09","295","","295","","2.63","","","","","","Sigma Aldrich","3","P 21 21 21","P 2ac 2ab","19","Phosphoric acid","Phosphoric acid","","- D3 O4 P -","- D3 O4 P -","- D24 O32 P8 -","8","2","","Bull, Craig L.; Funnell, Nicholas P.; Pulham, Colin R.; Marshall, William G.; Allan, David R.","A new high-pressure polymorph of phosphoric acid","Acta Crystallographica Section B","2017","73","6","1068","1074","10.1107/S205252061701441X","powder diffraction","","","Neutron","","","","","","","","0.0949","","1.23","","","","","","","has coordinates","205692","2020-10-21","18:00:00",""
"2108176","4.5868","0.0007","8.4232","0.0013","14.2653","0.0019","90","","90","","90","","551.15","0.14","295","","295","","2.78","","","","","","Sigma Aldrich","3","P 21 21 21","P 2ac 2ab","19","Phosphoric acid","Phosphoric acid","","- D3 O4 P -","- D3 O4 P -","- D24 O32 P8 -","8","2","","Bull, Craig L.; Funnell, Nicholas P.; Pulham, Colin R.; Marshall, William G.; Allan, David R.","A new high-pressure polymorph of phosphoric acid","Acta Crystallographica Section B","2017","73","6","1068","1074","10.1107/S205252061701441X","powder diffraction","","","Neutron","","","","","","","","0.1234","","0.96","","","","","","","has coordinates","205692","2020-10-21","18:00:00",""
"2108177","4.5831","0.0005","8.411","0.0009","14.2424","0.0014","90","","90","","90","","549.02","0.1","295","","295","","2.91","","","","","","Sigma Aldrich","3","P 21 21 21","P 2ac 2ab","19","Phosphoric acid","Phosphoric acid","","- D3 O4 P -","- D3 O4 P -","- D24 O32 P8 -","8","2","","Bull, Craig L.; Funnell, Nicholas P.; Pulham, Colin R.; Marshall, William G.; Allan, David R.","A new high-pressure polymorph of phosphoric acid","Acta Crystallographica Section B","2017","73","6","1068","1074","10.1107/S205252061701441X","powder diffraction","","","Neutron","","","","","","","","0.0952","","1.2","","","","","","","has coordinates","205692","2020-10-21","18:00:00",""
"2108178","4.5791","0.0008","8.4031","0.0014","14.2214","0.0021","90","","90","","90","","547.22","0.15","295","","295","","3.04","","","","","","Sigma Aldrich","3","P 21 21 21","P 2ac 2ab","19","Phosphoric acid","Phosphoric acid","","- D3 O4 P -","- D3 O4 P -","- D24 O32 P8 -","8","2","","Bull, Craig L.; Funnell, Nicholas P.; Pulham, Colin R.; Marshall, William G.; Allan, David R.","A new high-pressure polymorph of phosphoric acid","Acta Crystallographica Section B","2017","73","6","1068","1074","10.1107/S205252061701441X","powder diffraction","","","Neutron","","","","","","","","0.156","","1","","","","","","","has coordinates","205692","2020-10-21","18:00:00",""
"2108179","4.5689","0.0007","8.3733","0.0012","14.1755","0.0018","90","","90","","90","","542.31","0.13","295","","295","","3.42","","","","","","Sigma Aldrich","3","P 21 21 21","P 2ac 2ab","19","Phosphoric acid","Phosphoric acid","","- D3 O4 P -","- D3 O4 P -","- D24 O32 P8 -","8","2","","Bull, Craig L.; Funnell, Nicholas P.; Pulham, Colin R.; Marshall, William G.; Allan, David R.","A new high-pressure polymorph of phosphoric acid","Acta Crystallographica Section B","2017","73","6","1068","1074","10.1107/S205252061701441X","powder diffraction","","","Neutron","","","","","","","","0.1236","","1.07","","","","","","","has coordinates","205692","2020-10-21","18:00:00",""
"2108180","4.5639","0.0006","8.3606","0.001","14.1535","0.0015","90","","90","","90","","540.05","0.11","295","","295","","3.6","","","","","","Sigma Aldrich","3","P 21 21 21","P 2ac 2ab","19","Phosphoric acid","Phosphoric acid","","- D3 O4 P -","- D3 O4 P -","- D24 O32 P8 -","8","2","","Bull, Craig L.; Funnell, Nicholas P.; Pulham, Colin R.; Marshall, William G.; Allan, David R.","A new high-pressure polymorph of phosphoric acid","Acta Crystallographica Section B","2017","73","6","1068","1074","10.1107/S205252061701441X","powder diffraction","","","Neutron","","","","","","","","0.1029","","1.2","","","","","","","has coordinates","205692","2020-10-21","18:00:00",""
"2108181","4.5599","0.0009","8.3496","0.0015","14.1332","0.0023","90","","90","","90","","538.1","0.17","295","","295","","3.74","","","","","","Sigma Aldrich","3","P 21 21 21","P 2ac 2ab","19","Phosphoric acid","Phosphoric acid","","- D3 O4 P -","- D3 O4 P -","- D24 O32 P8 -","8","2","","Bull, Craig L.; Funnell, Nicholas P.; Pulham, Colin R.; Marshall, William G.; Allan, David R.","A new high-pressure polymorph of phosphoric acid","Acta Crystallographica Section B","2017","73","6","1068","1074","10.1107/S205252061701441X","powder diffraction","","","Neutron","","","","","","","","0.1292","","1.01","","","","","","","has coordinates","205692","2020-10-21","18:00:00",""
"2108182","4.5549","0.0007","8.3362","0.0012","14.1067","0.0018","90","","90","","90","","535.64","0.13","295","","295","","3.96","","","","","","Sigma Aldrich","3","P 21 21 21","P 2ac 2ab","19","Phosphoric acid","Phosphoric acid","","- D3 O4 P -","- D3 O4 P -","- D24 O32 P8 -","8","2","","Bull, Craig L.; Funnell, Nicholas P.; Pulham, Colin R.; Marshall, William G.; Allan, David R.","A new high-pressure polymorph of phosphoric acid","Acta Crystallographica Section B","2017","73","6","1068","1074","10.1107/S205252061701441X","powder diffraction","","","Neutron","","","","","","","","0.1104","","1.14","","","","","","","has coordinates","205692","2020-10-21","18:00:00",""
"2108183","4.5456","0.0007","8.3104","0.0013","14.0631","0.0019","90","","90","","90","","531.24","0.14","295","","295","","4.36","","","","","","Sigma Aldrich","3","P 21 21 21","P 2ac 2ab","19","Phosphoric acid","Phosphoric acid","","- D3 O4 P -","- D3 O4 P -","- D24 O32 P8 -","8","2","","Bull, Craig L.; Funnell, Nicholas P.; Pulham, Colin R.; Marshall, William G.; Allan, David R.","A new high-pressure polymorph of phosphoric acid","Acta Crystallographica Section B","2017","73","6","1068","1074","10.1107/S205252061701441X","powder diffraction","","","Neutron","","","","","","","","0.106","","1.17","","","","","","","has coordinates","205692","2020-10-21","18:00:00",""
"2108184","4.5338","0.0007","8.2726","0.0012","13.9867","0.0018","90","","90","","90","","524.59","0.13","295","","295","","5.02","","","","","","Sigma Aldrich","3","P 21 21 21","P 2ac 2ab","19","Phosphoric acid","Phosphoric acid","","- D3 O4 P -","- D3 O4 P -","- D24 O32 P8 -","8","2","","Bull, Craig L.; Funnell, Nicholas P.; Pulham, Colin R.; Marshall, William G.; Allan, David R.","A new high-pressure polymorph of phosphoric acid","Acta Crystallographica Section B","2017","73","6","1068","1074","10.1107/S205252061701441X","powder diffraction","","","Neutron","","","","","","","","0.0868","","1.27","","","","","","","has coordinates","205692","2020-10-21","18:00:00",""
"2108185","4.5214","0.0006","8.2332","0.0011","13.9189","0.0016","90","","90","","90","","518.14","0.11","295","","295","","5.66","","","","","","Sigma Aldrich","3","P 21 21 21","P 2ac 2ab","19","Phosphoric acid","Phosphoric acid","","- D3 O4 P -","- D3 O4 P -","- D24 O32 P8 -","8","2","","Bull, Craig L.; Funnell, Nicholas P.; Pulham, Colin R.; Marshall, William G.; Allan, David R.","A new high-pressure polymorph of phosphoric acid","Acta Crystallographica Section B","2017","73","6","1068","1074","10.1107/S205252061701441X","powder diffraction","","","Neutron","","","","","","","","0.0562","","1.09","","","","","","","has coordinates","205692","2020-10-21","18:00:00",""
"2108186","4.5121","0.0007","8.2009","0.0012","13.8569","0.0017","90","","90","","90","","512.75","0.13","295","","295","","6.26","","","","","","Sigma Aldrich","3","P 21 21 21","P 2ac 2ab","19","Phosphoric acid","Phosphoric acid","","- D3 O4 P -","- D3 O4 P -","- D24 O32 P8 -","8","2","","Bull, Craig L.; Funnell, Nicholas P.; Pulham, Colin R.; Marshall, William G.; Allan, David R.","A new high-pressure polymorph of phosphoric acid","Acta Crystallographica Section B","2017","73","6","1068","1074","10.1107/S205252061701441X","powder diffraction","","","Neutron","","","","","","","","0.0511","","1.06","","","","","","","has coordinates","205692","2020-10-21","18:00:00",""
"2108187","11.0366","0.0004","13.2899","0.0005","6.3763","0.0002","90","","99.548","0.002","90","","922.29","0.06","100","1","100","1","","","","","","","","4","C 1 2/c 1","-C 2yc","15","compound 1alpha","","","- C10 H11 N O2 -","- C10 H11 N O2 -","- C40 H44 N4 O8 -","4","0.5","","Truong, Khai-Nghi; Merkens, Carina; Meven, Martin; Faßbänder, Björn; Dronskowski, Richard; Englert, Ulli","Phase transition and proton ordering at 50K in 3-(pyridin-4-yl)pentane-2,4-dione","Acta Crystallographica Section B","2017","73","6","1172","1178","10.1107/S2052520617015591","","","0.793","neutrons","","0.126","0.0815","","","0.1867","0.2208","","","","","","1.086","","","","has coordinates,has disorder,has Fobs","205693","2020-10-21","18:00:00",""
"2108188","6.2755","0.0002","8.6368","0.0002","8.657","0.0002","101.482","0.003","96.2307","0.0013","96.0785","0.0013","453.17","0.02","2.5","0.5","2.5","0.5","","","","","","","","4","P -1","-P 1","2","compound 1beta","","","- C10 H11 N O2 -","- C10 H11 N O2 -","- C20 H22 N2 O4 -","2","1","","Truong, Khai-Nghi; Merkens, Carina; Meven, Martin; Faßbänder, Björn; Dronskowski, Richard; Englert, Ulli","Phase transition and proton ordering at 50K in 3-(pyridin-4-yl)pentane-2,4-dione","Acta Crystallographica Section B","2017","73","6","1172","1178","10.1107/S2052520617015591","","","0.793","neutrons","","0.146","0.1069","","","0.2514","0.2844","","","","","","1.084","","","","has coordinates,has Fobs","205693","2020-10-21","18:00:00",""
"2108189","12.1963","0.0002","7.4652","0.0002","16.4793","0.0004","90","","96.055","0.001","90","","1492.03","0.06","293","2","293","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","'Potassium tetrachlorobis(dimethyl sulfoxide)iridate(III) monohydrate'","'Potassium tetrachlorobis(dimethyl sulfoxide)iridate(III) monohydrate'","","- C4 H14 Cl4 Ir K O3 S2 -","- C4 H14 Cl4 Ir K O3 S2 -","- C16 H56 Cl16 Ir4 K4 O12 S8 -","4","1","LO5014","Ridgway, Benjamin M.; Foi, Ana; Corrêa, Rodrigo S.; Bikiel, Damian E.; Ellena, Javier; Doctorovich, Fabio; Di Salvo, Florencia","Conformational and structural diversity of iridium dimethyl sulfoxide complexes","Acta Crystallographica Section B","2017","73","6","1032","1042","10.1107/S2052520617011490","","x-ray","0.71073","MoKα","","0.0302","0.0295","","","0.0613","0.0617","","","","","","1.133","","","","has coordinates,has Fobs","205694","2020-10-21","18:00:00",""
"2108190","12.753","0.0004","7.8356","0.0002","15.3277","0.0005","90","","111.581","0.002","90","","1424.29","0.08","293","2","293","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","'Potassium tetrachlorobis(dimethyl sulfoxide)iridate(III) 0.25-hydrate'","'Potassium tetrachlorobis(dimethyl sulfoxide)iridate(III) 0.25-hydrate'","","- C4 H12.5 Cl4 Ir K O2.25 S2 -","- C4 H12.5 Cl4 Ir K O2.25 S2 -","- C16 H50 Cl16 Ir4 K4 O9 S8 -","4","1","","Ridgway, Benjamin M.; Foi, Ana; Corrêa, Rodrigo S.; Bikiel, Damian E.; Ellena, Javier; Doctorovich, Fabio; Di Salvo, Florencia","Conformational and structural diversity of iridium dimethyl sulfoxide complexes","Acta Crystallographica Section B","2017","73","6","1032","1042","10.1107/S2052520617011490","","x-ray","0.71073","MoKα","","0.0602","0.0458","","","0.1099","0.1185","","","","","","0.953","","","","has coordinates,has disorder,has Fobs","205694","2020-10-21","18:00:00",""
"2108191","19.821","0.0004","10.083","0.0002","19.572","0.0005","90","","108.657","0.002","90","","3706.01","0.15","293","2","293","2","","","","","","","","7","C 1 2/c 1","-C 2yc","15","'N-Butylammonium tetrachlorobis(dimethyl sulfoxide)iridate(III) hemihydrate'","'N-Butylammonium tetrachlorobis(dimethyl sulfoxide)iridate(III) hemihydrate'","","- C8 H25 Cl4 Ir N O2.5 S2 -","- C8 H25 Cl4 Ir N O2.5 S2 -","- C64 H200 Cl32 Ir8 N8 O20 S16 -","8","1","","Ridgway, Benjamin M.; Foi, Ana; Corrêa, Rodrigo S.; Bikiel, Damian E.; Ellena, Javier; Doctorovich, Fabio; Di Salvo, Florencia","Conformational and structural diversity of iridium dimethyl sulfoxide complexes","Acta Crystallographica Section B","2017","73","6","1032","1042","10.1107/S2052520617011490","","","0.71073","MoKα","","0.0579","0.0508","","","0.1275","0.1324","","","","","","1.051","","","","has coordinates,has disorder,has Fobs","205694","2020-10-21","18:00:00",""
"2108192","8.9902","0.0007","15.199","0.0014","10.7569","0.0009","90","","91.425","0.007","90","","1469.4","0.2","293","2","293","2","","","","","","","","7","P 1 21/n 1","-P 2yn","14","Potassium tetrachlorobis(dimethylsulfoxide)iridate(III)","Potassium tetrachlorobis(dimethylsulfoxide)iridate(III)","","- C4 H12 Cl4 Ir K O2 S2 -","- C4 H12 Cl4 Ir K O2 S2 -","- C16 H48 Cl16 Ir4 K4 O8 S8 -","4","1","","Ridgway, Benjamin M.; Foi, Ana; Corrêa, Rodrigo S.; Bikiel, Damian E.; Ellena, Javier; Doctorovich, Fabio; Di Salvo, Florencia","Conformational and structural diversity of iridium dimethyl sulfoxide complexes","Acta Crystallographica Section B","2017","73","6","1032","1042","10.1107/S2052520617011490","","","0.71073","MoKα","","0.1127","0.072","","","0.1577","0.1829","","","","","","1.039","","","","has coordinates,has disorder,has Fobs","205694","2020-10-21","18:00:00",""
"2108193","31.231","0.0018","4.7296","0.0004","9.8739","0.0005","90","","91.719","0.005","90","","1457.82","0.17","173","2","173","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C6 H13 N O2 -","- C6 H12.35 N O2 -","- C48 H98.8 N8 O16 -","8","1","FX5009","Czech, Christian; Glinnemann, Jürgen; Johansson, Kristoffer E.; Bolte, Michael; Schmidt, Martin U.","On the stacking disorder of <small>DL</small>-norleucine","Acta Crystallographica Section B","2017","73","6","1075","1084","10.1107/S2052520617012057","","","0.71073","MoKα","","0.0421","0.0381","","","0.1142","0.1172","","","","","","0.973","","","","has coordinates,has disorder,has Fobs","205695","2020-10-21","18:00:00",""
"2108194","5.7768","0.0003","5.7768","0.0004","22.0983","0.0012","90","0.005","90","0.004","120","0.006","638.65","0.08","293","","293","","","","","","","","synthesised by authors","5","R -3 :H","-R 3","148","","","","- H7.84 K1.29 N1.71 O8 S2 -","- H7.7999 K1.3 N1.7 O8 S2 -","- H23.3997 K3.9 N5.1 O24 S6 -","3","0.166667","","Selezneva, Elena V.; Makarova, Irina P.; Malyshkina, Inna A.; Gavrilova, Nadezhda D.; Grebenev, Vadim V.; Novik, Vitalii K.; Komornikov, Vladimir A.","New superprotonic crystals with dynamically disordered hydrogen bonds: cation replacements as the alternative to temperature increase","Acta Crystallographica Section B","2017","73","6","1105","1113","10.1107/S2052520617012847","","x-ray","0.71073","MoKα","","0.0272","0.0272","","","0.0382","0.0382","","","","2.46","2.46","2.46","","","","has coordinates,has Fobs","205696","2020-10-21","18:00:00",""
"2108195","8.4102","0.0002","8.4102","0.0002","36.562","0.001","90","","90","","120","","2239.61","0.1","150","2","150","2","","","","","","","synthesized by the authors","5","P 31","P 31","144","","","","- C15 H19 N2 O2.5 S -","- C15 H19 N2 O2.5 S -","- C90 H114 N12 O15 S6 -","6","2","","Budesinsky, Milos; Cisarova, Ivana; Borremans, Frans; Martins, Jose C.; Pauwels, Ewald","Solid-state structure of cyclic dipeptides: an X-ray and computational study of <i>cis-</i> and <i>trans</i>-diketopiperazines of <i>N</i>-methyl-phenylalanine with the thia-pipecolic acids and thia-prolines","Acta Crystallographica Section B","2017","73","6","1179","1193","10.1107/S2052520617014731","","","0.7107","MoKα","","0.0463","0.0454","","","0.1121","0.1129","","","","","","1.073","","","","has coordinates,has Fobs","218075","2020-10-21","18:00:00",""
"2108196","6.2287","0.0001","8.9737","0.0003","25.9694","0.0007","90","","90","","90","","1451.55","0.07","150","2","150","2","","","","","","","synthesized by the authors","5","P 21 21 21","P 2ac 2ab","19","","","","- C15 H18 N2 O2 S -","- C15 H18 N2 O2 S -","- C60 H72 N8 O8 S4 -","4","1","","Budesinsky, Milos; Cisarova, Ivana; Borremans, Frans; Martins, Jose C.; Pauwels, Ewald","Solid-state structure of cyclic dipeptides: an X-ray and computational study of <i>cis-</i> and <i>trans</i>-diketopiperazines of <i>N</i>-methyl-phenylalanine with the thia-pipecolic acids and thia-prolines","Acta Crystallographica Section B","2017","73","6","1179","1193","10.1107/S2052520617014731","","","0.7107","MoKα","","0.0404","0.0324","","","0.0688","0.0727","","","","","","1.039","","","","has coordinates,has Fobs","205697","2020-10-21","18:00:00",""
"2108197","7.3126","0.0001","27.1077","0.0005","7.3745","0.0001","90","","106.064","0.0011","90","","1404.75","0.04","150","2","150","2","","","","","","","synthesized by the authors","5","P 1 21 1","P 2yb","4","","","","- C15 H18 N2 O2 S -","- C15 H18 N2 O2 S -","- C60 H72 N8 O8 S4 -","4","2","","Budesinsky, Milos; Cisarova, Ivana; Borremans, Frans; Martins, Jose C.; Pauwels, Ewald","Solid-state structure of cyclic dipeptides: an X-ray and computational study of <i>cis-</i> and <i>trans</i>-diketopiperazines of <i>N</i>-methyl-phenylalanine with the thia-pipecolic acids and thia-prolines","Acta Crystallographica Section B","2017","73","6","1179","1193","10.1107/S2052520617014731","","","0.7107","MoKα","","0.0429","0.0343","","","0.0787","0.0827","","","","","","1.053","","","","has coordinates,has Fobs","205697","2020-10-21","18:00:00",""
"2108198","9.8928","0.0002","9.0312","0.0002","16.447","0.0005","90","","97.8246","0.0015","90","","1455.76","0.06","150","2","150","2","","","","","","","synthesized by the authors","5","P 1 21 1","P 2yb","4","","","","- C15 H18 N2 O2 S -","- C15 H18 N2 O2 S -","- C60 H72 N8 O8 S4 -","4","2","","Budesinsky, Milos; Cisarova, Ivana; Borremans, Frans; Martins, Jose C.; Pauwels, Ewald","Solid-state structure of cyclic dipeptides: an X-ray and computational study of <i>cis-</i> and <i>trans</i>-diketopiperazines of <i>N</i>-methyl-phenylalanine with the thia-pipecolic acids and thia-prolines","Acta Crystallographica Section B","2017","73","6","1179","1193","10.1107/S2052520617014731","","","0.7107","MoKα","","0.051","0.039","","","0.0778","0.0824","","","","","","1.034","","","","has coordinates,has Fobs","205697","2020-10-21","18:00:00",""
"2108199","7.4536","0.0001","7.4603","0.0002","13.6011","0.0003","79.6877","0.0012","89.2981","0.0014","69.3688","0.0012","695.31","0.03","150","2","150","2","","","","","","","synthesized by the authors","5","P 1","P 1","1","","","","- C15 H18 N2 O2 S -","- C15 H18 N2 O2 S -","- C30 H36 N4 O4 S2 -","2","2","","Budesinsky, Milos; Cisarova, Ivana; Borremans, Frans; Martins, Jose C.; Pauwels, Ewald","Solid-state structure of cyclic dipeptides: an X-ray and computational study of <i>cis-</i> and <i>trans</i>-diketopiperazines of <i>N</i>-methyl-phenylalanine with the thia-pipecolic acids and thia-prolines","Acta Crystallographica Section B","2017","73","6","1179","1193","10.1107/S2052520617014731","","","0.7107","MoKα","","0.0309","0.0289","","","0.077","0.0785","","","","","","1.04","","","","has coordinates,has Fobs","205697","2020-10-21","18:00:00",""
"2108200","9.8689","0.0002","10.6838","0.0002","13.6421","0.0002","90","","90","","90","","1438.39","0.04","150","2","150","2","","","","","","","synthesized by the authors","5","P 21 21 21","P 2ac 2ab","19","","","","- C15 H18 N2 O2 S -","- C15 H18 N2 O2 S -","- C60 H72 N8 O8 S4 -","4","1","","Budesinsky, Milos; Cisarova, Ivana; Borremans, Frans; Martins, Jose C.; Pauwels, Ewald","Solid-state structure of cyclic dipeptides: an X-ray and computational study of <i>cis-</i> and <i>trans</i>-diketopiperazines of <i>N</i>-methyl-phenylalanine with the thia-pipecolic acids and thia-prolines","Acta Crystallographica Section B","2017","73","6","1179","1193","10.1107/S2052520617014731","","","0.7107","MoKα","","0.0362","0.0311","","","0.0739","0.077","","","","","","1.057","","","","has coordinates,has Fobs","205697","2020-10-21","18:00:00",""
"2108201","7.743","0.0002","7.743","0.0002","43.5343","0.0014","90","","90","","90","","2610.06","0.13","150","2","150","2","","","","","","","synthesized by the authors","5","P 43 21 2","P 4nw 2abw","96","","","","- C14 H16 N2 O2 S -","- C14 H16 N2 O2 S -","- C112 H128 N16 O16 S8 -","8","1","","Budesinsky, Milos; Cisarova, Ivana; Borremans, Frans; Martins, Jose C.; Pauwels, Ewald","Solid-state structure of cyclic dipeptides: an X-ray and computational study of <i>cis-</i> and <i>trans</i>-diketopiperazines of <i>N</i>-methyl-phenylalanine with the thia-pipecolic acids and thia-prolines","Acta Crystallographica Section B","2017","73","6","1179","1193","10.1107/S2052520617014731","","","0.71073","MoKα","","0.0344","0.0304","","","0.0732","0.0754","","","","","","1.106","","","","has coordinates,has Fobs","205697","2020-10-21","18:00:00",""
"2108202","10.0987","0.0004","11.0883","0.0004","12.0825","0.0005","90","","90","","90","","1352.97","0.09","150","2","150","2","","","","","","","synthesized by the authors","5","P 21 21 21","P 2ac 2ab","19","","","","- C14 H16 N2 O2 S -","- C14 H16 N2 O2 S -","- C56 H64 N8 O8 S4 -","4","1","","Budesinsky, Milos; Cisarova, Ivana; Borremans, Frans; Martins, Jose C.; Pauwels, Ewald","Solid-state structure of cyclic dipeptides: an X-ray and computational study of <i>cis-</i> and <i>trans</i>-diketopiperazines of <i>N</i>-methyl-phenylalanine with the thia-pipecolic acids and thia-prolines","Acta Crystallographica Section B","2017","73","6","1179","1193","10.1107/S2052520617014731","","","0.71073","MoKα","","0.0305","0.0277","","","0.0674","0.0689","","","","","","1.068","","","","has coordinates,has Fobs","205697","2020-10-21","18:00:00",""
"2108203","7.7112","0.0007","11.6576","0.0012","14.8171","0.0014","90","","90","","90","","1332","0.2","150","2","150","2","","","","","","","synthesized by the authors","5","P 21 21 21","P 2ac 2ab","19","","","","- C14 H16 N2 O2 S -","- C14 H16 N2 O2 S -","- C56 H64 N8 O8 S4 -","4","1","","Budesinsky, Milos; Cisarova, Ivana; Borremans, Frans; Martins, Jose C.; Pauwels, Ewald","Solid-state structure of cyclic dipeptides: an X-ray and computational study of <i>cis-</i> and <i>trans</i>-diketopiperazines of <i>N</i>-methyl-phenylalanine with the thia-pipecolic acids and thia-prolines","Acta Crystallographica Section B","2017","73","6","1179","1193","10.1107/S2052520617014731","","","0.71073","MoKα","","0.0403","0.0348","","","0.0788","0.082","","","","","","1.042","","","","has coordinates,has Fobs","205697","2020-10-21","18:00:00",""
"2108204","13.4996","0.0005","14.5841","0.0005","20.5461","0.0008","90","","90","","90","","4045.1","0.3","150","2","150","2","","","","","","","synthesized by the authors","5","P 21 21 21","P 2ac 2ab","19","","","","- C14 H16 N2 O2 S -","- C14 H16 N2 O2 S -","- C168 H192 N24 O24 S12 -","12","3","","Budesinsky, Milos; Cisarova, Ivana; Borremans, Frans; Martins, Jose C.; Pauwels, Ewald","Solid-state structure of cyclic dipeptides: an X-ray and computational study of <i>cis-</i> and <i>trans</i>-diketopiperazines of <i>N</i>-methyl-phenylalanine with the thia-pipecolic acids and thia-prolines","Acta Crystallographica Section B","2017","73","6","1179","1193","10.1107/S2052520617014731","","","0.71073","MoKα","","0.0502","0.039","","","0.0944","0.1023","","","","","","1.064","","","","has coordinates,has Fobs","205697","2020-10-21","18:00:00",""
"2108205","5.1174","0.0004","7.3666","0.0004","11.7174","0.001","90","","90","","90","","441.72","0.06","298","","298","","","","","","","","","3","P b c a","-P 2ac 2ab","61","","Glycolide","","- C4 H4 O4 -","- C4 H4 O4 -","- C16 H16 O16 -","4","0.5","","Hutchison, Ian B.; Bull, Craig L.; Marshall, William G.; Parsons, Simon; Urquhart, Andrew J.; Oswald, Iain D. H.","Compression of glycolide-h~4~ to 6GPa","Acta Crystallographica Section B","2017","73","6","1151","1157","10.1107/S2052520617015657","powder diffraction","","","","","","","","","","","","","1.2","","","","","","","has coordinates","205698","2020-10-21","18:00:00",""
"2108206","4.9209","0.0004","7.1818","0.0005","11.5243","0.001","90","","90","","90","","407.28","0.06","298","","298","","","","","","","","","3","P b c a","-P 2ac 2ab","61","","Glycolide","","- C4 H4 O4 -","- C4 H4 O4 -","- C16 H16 O16 -","4","0.5","","Hutchison, Ian B.; Bull, Craig L.; Marshall, William G.; Parsons, Simon; Urquhart, Andrew J.; Oswald, Iain D. H.","Compression of glycolide-h~4~ to 6GPa","Acta Crystallographica Section B","2017","73","6","1151","1157","10.1107/S2052520617015657","powder diffraction","","","","","","","","","","","","","1.089","","","","","","","has coordinates","205698","2020-10-21","18:00:00",""
"2108207","4.8571","0.0004","7.1033","0.0005","11.4462","0.001","90","","90","","90","","394.91","0.05","298","","298","","","","","","","","","3","P b c a","-P 2ac 2ab","61","","Glycolide","","- C4 H4 O4 -","- C4 H4 O4 -","- C16 H16 O16 -","4","0.5","","Hutchison, Ian B.; Bull, Craig L.; Marshall, William G.; Parsons, Simon; Urquhart, Andrew J.; Oswald, Iain D. H.","Compression of glycolide-h~4~ to 6GPa","Acta Crystallographica Section B","2017","73","6","1151","1157","10.1107/S2052520617015657","powder diffraction","","","","","","","","","","","","","1.04","","","","","","","has coordinates","205698","2020-10-21","18:00:00",""
"2108208","4.7757","0.0004","6.993","0.0005","11.3384","0.001","90","","90","","90","","378.66","0.05","298","","298","","","","","","","","","3","P b c a","-P 2ac 2ab","61","","Glycolide","","- C4 H4 O4 -","- C4 H4 O4 -","- C16 H16 O16 -","4","0.5","","Hutchison, Ian B.; Bull, Craig L.; Marshall, William G.; Parsons, Simon; Urquhart, Andrew J.; Oswald, Iain D. H.","Compression of glycolide-h~4~ to 6GPa","Acta Crystallographica Section B","2017","73","6","1151","1157","10.1107/S2052520617015657","powder diffraction","","","","","","","","","","","","","1.009","","","","","","","has coordinates","205698","2020-10-21","18:00:00",""
"2108209","4.7321","0.0004","6.9298","0.0005","11.2798","0.0011","90","","90","","90","","369.89","0.05","298","","298","","","","","","","","","3","P b c a","-P 2ac 2ab","61","","Glycolide","","- C4 H4 O4 -","- C4 H4 O4 -","- C16 H16 O16 -","4","0.5","","Hutchison, Ian B.; Bull, Craig L.; Marshall, William G.; Parsons, Simon; Urquhart, Andrew J.; Oswald, Iain D. H.","Compression of glycolide-h~4~ to 6GPa","Acta Crystallographica Section B","2017","73","6","1151","1157","10.1107/S2052520617015657","powder diffraction","","","","","","","","","","","","","1.056","","","","","","","has coordinates","205698","2020-10-21","18:00:00",""
"2241969","13.4874","0.0007","13.7517","0.0008","13.8397","0.0008","89.48","0.001","80.345","0.001","60.858","0.001","2202.4","0.2","123","2","123","2","","","","","","","","5","P -1","-P 1","2","","Bis{μ-(<i>E</i>)-2-[(2-oxidophenylimino)methyl]quinolin-8-olato-κ^4^<i>O</i>,<i>N</i>,<i>N</i>',<i>O</i>'}bis[dibutyltin(IV)]","","- C48 H56 N4 O4 Sn2 -","- C48.003 H56.009 N4 O4 Sn2 -","- C96.006 H112.018 N8 O8 Sn4 -","2","1","","Carlos, Camacho-Camacho; Naytzé, Ortiz-Pastrana; Ariadna, Garza-Ortiz; Irma, Rojas-Oviedo","Crystal structure of bis{μ-(<i>E</i>)-2-[(2-oxidophenylimino)methyl]quinolin-8-olato-κ^4^<i>O</i>,<i>N</i>,<i>N</i>',<i>O</i>'}bis[dibutyltin(IV)]","Acta Crystallographica Section E","2017","73","1","4","7","10.1107/S2056989016018867","","","0.71073","MoKα","","0.0392","0.032","","","0.0736","0.077","","","","","","1.035","","","","has coordinates,has disorder,has Fobs","188822","2020-10-21","18:00:00",""
"2241973","16.2618","0.0007","11.6708","0.0005","14.7359","0.0007","90","","96.945","0.002","90","","2776.2","0.2","200","2","200","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","(6<i>E</i>,20<i>E</i>)-3,24-Difluoro-13,14,28,29-tetrahydro-5<i>H</i>,\ 22<i>H</i>-tetrabenzo[<i>e</i>,<i>j</i>,<i>p</i>,<i>u</i>] [1,4,12,15]tetraoxacyclodocosine-5,22-dione","","- C34 H26 F2 O6 -","- C34 H26 F2 O6 -","- C136 H104 F8 O24 -","4","1","","Mohamed, Shaaban K.; Akkurt, Mehmet; Hawaiz, Farouq E.; Ayoob, Mzgin M.; Hosten, Eric","Crystal structure of (6<i>E</i>,20<i>E</i>)-3,24-difluoro-13,14,28,29-tetrahydro-5<i>H</i>,22<i>H</i>-tetrabenzo[<i>e</i>,<i>j</i>,<i>p</i>,<i>u</i>][1,4,12,15]tetraoxacyclodocosine-5,22-dione","Acta Crystallographica Section E","2017","73","1","13","16","10.1107/S2056989016018934","","","0.71073","MoKα","","0.0581","0.0403","","","0.0941","0.1058","","","","","","1.014","","","","has coordinates,has Fobs","188985","2020-10-21","18:00:00",""
"2241974","12.4034","0.0004","13.2921","0.0004","15.4869","0.0004","88.828","0.003","86.336","0.003","73.586","0.003","2444.21","0.13","200","2","200","2","","","","","","","","5","P -1","-P 1","2","","Bis[tris(2,2'-bipyridine-κ^2^<i>N</i>,<i>N</i>')nickel(II)] bis(7,7,8,8-tetracyanoquinonedimethane radical anion) bi[7,7,8,8-tetracyanoquinonedimethanide] hexahydrate","","- C108 H76 N28 Ni2 O6 -","- C108 H76 N28 Ni2 O6 -","- C108 H76 N28 Ni2 O6 -","1","0.5","ZL2686","Černák, Juraj; Kuchár, Juraj; Hegedüs, Michal","Disorder of the dimeric TCNQ‒TCNQ unit in the crystal structure of [Ni(bpy)~3~]~2~(TCNQ‒TCNQ)(TCNQ)~2~·6H~2~O (TCNQ is 7,7,8,8-tetracyanoquinodimethane)","Acta Crystallographica Section E","2017","73","1","8","12","10.1107/S2056989016019162","","","0.71073","MoKα","","0.091","0.0492","","","0.1071","0.126","","","","","","1.047","","","","has coordinates,has disorder,has Fobs","188986","2020-10-21","18:00:00",""
"2241975","7.8783","0.0002","8.9254","0.0003","18.7372","0.0005","77.243","0.002","82.423","0.002","78.856","0.002","1255.3","0.06","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","(<i>E</i>)-4-[1-(2-Carbamothioylhydrazinylidene)ethyl]phenyl acetate","","- C11 H13 N3 O2 S -","- C11 H13 N3 O2 S -","- C44 H52 N12 O8 S4 -","4","2","SU5323","Viswanathan, Vijayan; Ananth, Mani Karthik; Narasimhan, S.; Velmurugan, Devadasan","Crystal structures of (<i>E</i>)-4-[1-(2-carbamothioylhydrazinylidene)ethyl]phenyl acetate and (<i>E</i>)-4-[1-(2-carbamothioylhydrazinylidene)ethyl]phenyl benzoate","Acta Crystallographica Section E","2017","73","1","20","23","10.1107/S2056989016018983","","","0.71073","MoKα","","0.0499","0.0384","","","0.1004","0.1087","","","","","","1.032","","","","has coordinates,has Fobs","189030","2020-10-21","18:00:00",""
"2241976","7.8145","0.0004","9.7538","0.0005","10.905","0.0007","78.855","0.004","69.031","0.002","84.2","0.003","761.05","0.07","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","(<i>E</i>)-4-[1-(2-Carbamothioylhydrazinylidene)ethyl]phenyl benzoate","","- C16 H15 N3 O2 S -","- C16 H15 N3 O2 S -","- C32 H30 N6 O4 S2 -","2","1","SU5323","Viswanathan, Vijayan; Ananth, Mani Karthik; Narasimhan, S.; Velmurugan, Devadasan","Crystal structures of (<i>E</i>)-4-[1-(2-carbamothioylhydrazinylidene)ethyl]phenyl acetate and (<i>E</i>)-4-[1-(2-carbamothioylhydrazinylidene)ethyl]phenyl benzoate","Acta Crystallographica Section E","2017","73","1","20","23","10.1107/S2056989016018983","","","0.71073","MoKα","","0.0372","0.0339","","","0.0952","0.0988","","","","","","1.046","","","","has coordinates,has Fobs","189030","2020-10-21","18:00:00",""
"2241977","19.27","0.004","7.795","0.0016","14.834","0.003","90","","91.71","0.03","90","","2227.2","0.8","100","2","100","2","","","","","","","","5","C 1 2 1","C 2y","5","","{(<i>S</i>)-1-Phenyl-<i>N</i>,<i>N</i>-bis[(pyridin-2-yl)methyl]ethanamine-κ^3^<i>N</i>,<i>N</i>',<i>N</i>''}bis(thiocyanato-κ<i>N</i>)zinc(II)","","- C22 H21 N5 S2 Zn -","- C22 H21 N5 S2 Zn -","- C88 H84 N20 S8 Zn4 -","4","1","IS5466","Lee, Dong Won; Shin, Jong Won","Crystal structure of {(<i>S</i>)-1-phenyl-<i>N</i>,<i>N</i>-bis[(pyridin-2-yl)methyl]ethanamine-κ^3^<i>N</i>,<i>N</i>',<i>N</i>''}bis(thiocyanato-κ<i>N</i>)zinc from synchrotron data","Acta Crystallographica Section E","2017","73","1","17","19","10.1107/S2056989016019253","","","0.63","synchrotron","","0.0511","0.0393","","","0.0874","0.0933","","","","","","0.988","","","","has coordinates,has Fobs","189031","2020-10-21","18:00:00",""
"2241978","9.7997","0.0007","10.0959","0.0007","11.0401","0.0008","96.618","0.006","102.741","0.006","113.902","0.007","948.02","0.14","298","2","298","","","","","","","","","5","P -1","-P 1","2","","Bis(μ-<i>N</i>-hydroxypicolinamidato)bis[bis(<i>N</i>-hydroxypicolinamide)sodium]","","- C36 H34 N12 Na2 O12 -","- C36 H34 N12 Na2 O12 -","- C36 H34 N12 Na2 O12 -","1","0.5","XU5895","Safyanova, Inna S.; Ohui, Kateryna A.; Omelchenko, Irina V.","Crystal structure of bis(μ-<i>N</i>-hydroxypicolinamidato)bis[bis(<i>N</i>-hydroxypicolinamide)sodium]","Acta Crystallographica Section E","2017","73","1","24","27","10.1107/S2056989016019095","","","0.71073","MoKα","","0.1251","0.0635","","","0.1244","0.1435","","","","","","0.963","","","","has coordinates,has Fobs","189032","2020-10-21","18:00:00",""
"2241979","8.9387","0.0002","15.0607","0.0004","11.9235","0.0003","90","","92.949","0.001","90","","1603.05","0.07","173","2","173","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","[Cu cyclen](ClO4)2","(Perchlorato-κ<i>O</i>)(1,4,7,10-tetraazacyclododecane-κ^4^<i>N</i>)copper(II) perchlorate","","- C8 H20 Cl2 Cu N4 O8 -","- C8 H20 Cl2 Cu N4 O8 -","- C32 H80 Cl8 Cu4 N16 O32 -","4","1","ZL2687","Gray, Jessica L.; Gerlach, Deidra L.; Papish, Elizabeth T.","Crystal structure of (perchlorato-κ<i>O</i>)(1,4,7,10-tetraazacyclododecane-κ^4^<i>N</i>)copper(II) perchlorate","Acta Crystallographica Section E","2017","73","1","31","34","10.1107/S2056989016019563","","","0.71073","MoKα","","0.0297","0.0247","","","0.0652","0.0675","","","","","","1.022","","","","has coordinates,has Fobs","189033","2020-10-21","18:00:00",""
"2241980","12.425","0.005","13.912","0.005","17.382","0.005","90","","104.395","0.005","90","","2910.3","1.8","293","2","293","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","<i>meso</i>-Di-μ-chlorido-bis[bis(2,2'-bipyridine)cadmium] bis(1,1,3,3-tetracyano-2-ethoxypropenide) 0.81-hydrate","","- C58 H43.62 Cd2 Cl2 N16 O2.81 -","- C58 H42 Cd2 Cl2 N16 O2.806 -","- C116 H84 Cd4 Cl4 N32 O5.612 -","2","0.5","WM5346","Setifi, Fatima; Morgenstern, Bernd; Hegetschweiler, Kaspar; Setifi, Zouaoui; Touzani, Rachid; Glidewell, Christopher","Crystal structure of <i>meso</i>-di-μ-chlorido-bis[bis(2,2'-bipyridine)cadmium] bis(1,1,3,3-tetracyano-2-ethoxypropenide) 0.81-hydrate","Acta Crystallographica Section E","2017","73","1","48","52","10.1107/S205698901601971X","","","0.71073","MoKα","","0.0642","0.0434","","","0.1136","0.131","","","","","","1.038","","","","has coordinates,has disorder,has Fobs","189159","2020-10-21","18:00:00",""
"2241981","12.0235","0.0008","13.4263","0.0007","13.6588","0.0004","90.297","0.003","98.481","0.004","110.48","0.005","2039.2","0.2","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","1-[2-(4-Chlorophenyl)-4,5-diphenyl-1<i>H</i>-imidazol-1-yl]propan-2-ol","","- C24 H21 Cl N2 O -","- C24 H21 Cl N2 O -","- C96 H84 Cl4 N8 O4 -","4","2","HG5480","Mohamed, Shaaban K.; Marzouk, Adel A.; Albayati, Mustafa R.; Abdelhamid, Antar A.; Simpson, Jim","Crystal structure of 1-[2-(4-chlorophenyl)-4,5-diphenyl-1<i>H</i>-imidazol-1-yl]propan-2-ol","Acta Crystallographica Section E","2017","73","1","59","62","10.1107/S2056989016019332","","","1.54184","CuKα","","0.0823","0.0711","","","0.1808","0.1877","","","","","","1.092","","","","has coordinates,has Fobs","189160","2020-10-21","18:00:00",""
"2241982","11.565","0.002","8.0504","0.0016","20.665","0.004","90","","97.68","0.03","90","","1906.7","0.6","293","2","293","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","(<i>E</i>)-9-({[4-(Diethylamino)phenyl]imino}methyl)-2,3,6,7-tetrahydro-1<i>H</i>,5<i>H</i>-pyrido[3,2,1-<i>ij</i>]quinolin-8-ol","","- C23 H29 N3 O -","- C23 H29 N3 O -","- C92 H116 N12 O4 -","4","1","SU5338","Faizi, Md. Serajul Haque; Ahmad, Musheer; Kapshuk, Anatoly A.; Golenya, Irina A.","Crystal structure of (<i>E</i>)-9-({[4-(diethylamino)phenyl]imino}methyl)-2,3,6,7-tetrahydro-1<i>H</i>,5<i>H</i>-pyrido[3,2,1-<i>ij</i>]quinolin-8-ol","Acta Crystallographica Section E","2017","73","1","38","40","10.1107/S2056989016019733","","","0.71073","MoKα","","0.1093","0.0635","","","0.1292","0.15","","","","","","1.064","","","","has coordinates,has disorder","189161","2020-10-21","18:00:00",""
"2241983","10.6784","0.0008","8.0954","0.0006","17.9032","0.0014","90","","98.105","0.005","90","","1532.2","0.2","296","2","296","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","4-(4b,8a-Dihydro-9<i>H</i>-pyrido[3,4-<i>b</i>]indol-1-yl)-7-methyl-2<i>H</i>-chromen-2-one","","- C21 H14 N2 O2 -","- C21 H14 N2 O2 -","- C84 H56 N8 O8 -","4","1","SU5339","Samundeeswari, S.; Kulkarni, Manohar V.; Anil Kumar, G. N.","Crystal structure of 4-(4b,8a-dihydro-9<i>H</i>-pyrido[3,4-<i>b</i>]indol-1-yl)-7-methyl-2<i>H</i>-chromen-2-one","Acta Crystallographica Section E","2017","73","1","56","58","10.1107/S2056989016019769","","","0.71073","MoKα","","0.131","0.0598","","","","0.1659","","","","","","0.944","","","","has coordinates,has Fobs","189162","2020-10-21","18:00:00",""
"2241984","11.6986","0.0001","28.7847","0.0004","11.8471","0.0001","90","","106.339","0.0009","90","","3828.28","0.07","100","2","100","2","","","","","","","","8","P 1 21/c 1","-P 2ybc","14","","Chlorido[1-(4-nitrophenyl)thiourea-κ<i>S</i>]bis(triphenylphosphane-κ<i>P</i>)copper(I)","","- C43 H37 Cl Cu N3 O2 P2 S -","- C43 H37 Cl Cu N3 O2 P2 S -","- C172 H148 Cl4 Cu4 N12 O8 P8 S4 -","4","1","WM5344","Nimthong-Roldán, Arunpatcha; Promsuwhan, Nichakan; Puetpaiboon, Walailak; Wattanakanjana, Yupa","Crystal structure of chlorido[1-(4-nitrophenyl)thiourea-κ<i>S</i>]bis(triphenylphosphane-κ<i>P</i>)copper(I)","Acta Crystallographica Section E","2017","73","1","41","44","10.1107/S2056989016019368","","","0.71073","MoKα","","0.0495","0.0349","","","0.0895","0.0952","","","","","","1.104","","","","has coordinates,has Fobs","189163","2020-10-21","18:00:00",""
"2241985","6.7866","0.0004","7.1789","0.0003","14.0981","0.0005","94.098","0.003","93.461","0.004","106.154","0.004","655.75","0.05","293","2","293","2","","","","","","","","4","P -1","-P 1","2","","2-Oxo-2<i>H</i>-chromen-3-yl 4-chlorobenzoate","","- C16 H9 Cl O4 -","- C16 H9 Cl O4 -","- C32 H18 Cl2 O8 -","2","1","HB7629","Ziki, Eric; Sosso, Siaka; Mansilla-Koblavi, Frédérica; Djandé, Abdoulaye; Kakou-Yao, Rita","Crystal structure of 2-oxo-2<i>H</i>-chromen-3-yl 4-chlorobenzoate and Hirshfeld surface analysis","Acta Crystallographica Section E","2017","73","1","45","47","10.1107/S2056989016019538","","","1.54184","CuKα","","0.044","0.0387","","","0.1012","0.1058","","","","","","1.045","","","","has coordinates,has Fobs","189164","2020-10-21","18:00:00",""
"2241986","14.1513","0.0004","7.6557","0.0002","16.9423","0.0004","90","","113.805","0.001","90","","1679.34","0.08","173","2","173","2","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","<i>catena</i>-poly[[Bis(<i>N</i>-acethylthiomorpholine-κ<i>S</i>)copper(I)]-μ-iodido]","","- C12 H22 Cu I N2 O2 S2 -","- C12 H22 Cu I N2 O2 S2 -","- C48 H88 Cu4 I4 N8 O8 S8 -","4","1","","Chiang, Hojae; Kim, Tae Ho; Park, Hyunjin; Kim, Jineun","Crystal structure of <i>catena</i>-poly[[bis(<i>N</i>-acethylthiomorpholine-κ<i>S</i>)copper(I)]-μ-iodido]","Acta Crystallographica Section E","2017","73","1","53","55","10.1107/S2056989016019794","","","0.71073","MoKα","","0.0213","0.0183","","","0.0434","0.0445","","","","","","1.051","","","","has coordinates,has Fobs","189165","2020-10-21","18:00:00",""
"2241987","7.064","0.0001","25.2362","0.0004","7.6494","0.0001","90","","113.243","0.001","90","","1252.97","0.03","100","2","100","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","<i>N</i>-(4-Chlorophenyl)-5,7-dimethyl-1,2,4-triazolo[1,5-<i>a</i>]pyrimidin-2-amine","","- C13 H12 Cl N5 -","- C13 H12 Cl N5 -","- C52 H48 Cl4 N20 -","4","1","LH5830","Repich, Hlib; Orysyk, Svitlana; Savytskyi, Pavlo; Pekhnyo, Vasyl","Synthesis and crystal structure of <i>N</i>-(4-chlorophenyl)-5,7-dimethyl-1,2,4-triazolo[1,5-<i>a</i>]pyrimidin-2-amine","Acta Crystallographica Section E","2017","73","1","35","37","10.1107/S2056989016019629","","","0.71073","MoKα","","0.0459","0.0389","","","0.096","0.0998","","","","","","1.038","","","","has coordinates,has Fobs","189166","2020-10-21","18:00:00",""
"2241988","13.8447","0.0006","9.2316","0.0004","14.7018","0.0006","90","","99.605","0.002","90","","1852.68","0.14","173","2","173","","","","","","","","","6","C 1 2 1","C 2y","5","","Bis[(9<i>S</i>,13<i>S</i>,14<i>S</i>)-3-methoxy-17-methylmorphinanium] tetrachloridocobaltate","","- C36 H52 Cl4 Co N2 O2 -","- C36 H52 Cl4 Co N2 O2 -","- C72 H104 Cl8 Co2 N4 O4 -","2","0.5","SJ5517","Gauchat, Eric; Nazarenko, Alexander Y.","Crystal structures of bis[(9<i>S</i>,13<i>S</i>,14<i>S</i>)-3-methoxy-17-methylmorphinanium] tetrachloridocobaltate and tetrachloridocuprate","Acta Crystallographica Section E","2017","73","1","63","67","10.1107/S2056989016019939","","","0.71073","MoKα","","0.0454","0.0342","","","0.0785","0.0832","","","","","","1.041","","","","has coordinates,has Fobs","189277","2020-10-21","18:00:00",""
"2241989","13.8066","0.0016","9.2934","0.0012","14.651","0.003","90","","99.318","0.006","90","","1855.1","0.5","173","2","173","","","","","","","","","6","C 1 2 1","C 2y","5","","Bis[(9<i>S</i>,13<i>S</i>,14<i>S</i>)-3-methoxy-17-methylmorphinanium] tetrachloridocuprate","","- C36 H52 Cl4 Cu N2 O2 -","- C36 H52 Cl4 Cu N2 O2 -","- C72 H104 Cl8 Cu2 N4 O4 -","2","0.5","","Gauchat, Eric; Nazarenko, Alexander Y.","Crystal structures of bis[(9<i>S</i>,13<i>S</i>,14<i>S</i>)-3-methoxy-17-methylmorphinanium] tetrachloridocobaltate and tetrachloridocuprate","Acta Crystallographica Section E","2017","73","1","63","67","10.1107/S2056989016019939","","","0.71073","MoKα","","0.0585","0.0391","","","0.0907","0.0999","","","","","","1.077","","","","has coordinates,has Fobs","189277","2020-10-21","18:00:00",""
"2241990","12.573","0.0004","5.4443","0.0002","18.2266","0.0006","90","","97.754","0.002","90","","1236.22","0.07","298","2","298","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","(2<i>R</i>*,3a<i>R</i>*)-2-Phenylsulfonyl-2,3,3a,4,5,6-hexahydropyrrolo[1,2-<i>b</i>]isoxazole","","- C12 H15 N O3 S -","- C12 H15 N O3 S -","- C48 H60 N4 O12 S4 -","4","1","RZ5200","Hernández, Yaiza; Marcos, Isidro; Garrido, Narciso M.; Sanz, Francisca; Diez, David","Crystal structure of (2<i>R</i>*,3a<i>R</i>*)-2-phenylsulfonyl-2,3,3a,4,5,6-hexahydropyrrolo[1,2-<i>b</i>]isoxazole","Acta Crystallographica Section E","2017","73","1","85","87","10.1107/S2056989016019952","","","1.54178","CuKα","","0.044","0.0419","","","0.1071","0.1091","","","","","","1.04","","","","has coordinates,has Fobs","189328","2020-10-21","18:00:00",""
"2241991","16.044","0.002","16.221","0.002","15.041","0.002","90","","93.335","0.003","90","","3907.8","0.9","243","2","243","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","Bis[<i>cis</i>-(1,4,8,11-tetraazacyclotetradecane-κ^4^<i>N</i>)bis(thiocyanato-κ<i>N</i>)chromium(III)] dichromate monohydrate","","- C24 H50 Cr4 N12 O8 S4 -","- C24 H50 Cr4 N12 O8 S4 -","- C96 H200 Cr16 N48 O32 S16 -","4","0.5","WM5351","Moon, Dohyun; Takase, Masahiro; Akitsu, Takashiro; Choi, Jong-Ha","Crystal structure of bis[<i>cis</i>-(1,4,8,11-tetraazacyclotetradecane-κ^4^<i>N</i>)(thiocyanato-κ<i>N</i>)chromium(III)] dichromate monohydrate from synchrotron X-ray diffraction data","Acta Crystallographica Section E","2017","73","1","72","75","10.1107/S2056989016020120","","","0.62","synchrotron","","0.0658","0.0462","","","0.1386","0.1475","","","","","","1.063","","","","has coordinates,has disorder,has Fobs","189329","2020-10-21","18:00:00",""
"2241992","6.2927","0.0007","17.9903","0.0019","7.2991","0.0008","90","","95.216","0.004","90","","822.89","0.16","298","2","298","2","","","","","","","","3","P 1 21 1","P 2yb","4","","(3a<i>R</i>,3'a<i>R</i>,7a<i>S</i>,7'a<i>S</i>)-2,2,2',2'-Tetramethyl-3a,6,7,7a,3'a,6',7',7'a-octahydro-4,4'-bi[1,3-benzodioxolyl]","","- C18 H26 O4 -","- C18 H26 O4 -","- C36 H52 O8 -","2","1","RZ5201","Macías, Mario A.; Pandolfi, Enrique; Schapiro, Valeria; Silveira, Gustavo P.; Vilela, Guilherme D.; Suescun, Leopoldo","Crystal structure and absolute configuration of (3a<i>R</i>,3'a<i>R</i>,7a<i>S</i>,7'a<i>S</i>)-2,2,2',2'-tetramethyl-3a,6,7,7a,3'a,6',7',7'a-octahydro-4,4'-bi[1,3-benzodioxolyl], obtained from a Pd-catalyzed homocoupling reaction","Acta Crystallographica Section E","2017","73","1","81","84","10.1107/S2056989016019927","","","1.54178","CuKα","","0.0281","0.0271","","","0.0704","0.0711","","","","","","1.078","","","","has coordinates,has Fobs","189330","2020-10-21","18:00:00",""
"2241993","14.3058","0.0008","9.0983","0.0005","14.7315","0.0008","90","","100.553","0.001","90","","1885","0.18","100","2","100","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","μ-Carbonyl-1:2κ^2^<i>C</i>:<i>C</i>-carbonyl-1κ<i>C</i>-(1η^5^-cyclopentadienyl)iodido-2κ<i>I</i>-[μ-2-(pyridin-2-yl)ethene-1,1-diyl-1κ<i>C</i>^1^:2κ^2^<i>N</i>,<i>C</i>^1^]ironpalladium(<i>Fe</i>—<i>Pd</i>) benzene monosolvate","","- C20 H16 Fe I N O2 Pd -","- C20 H16 Fe I N O2 Pd -","- C80 H64 Fe4 I4 N4 O8 Pd4 -","4","1","HB7640","Verpekin, Victor V.; Kreindlin, Arkadii Z.; Semeikin, Oleg V.; Smol'yakov, Alexander F.; Dolgushin, Fedor M.; Chudin, Oleg S.; Ustynyuk, Nikolai A.","Crystal structure of μ-carbonyl-1:2κ^2^<i>C</i>:<i>C</i>-carbonyl-1κ<i>C</i>-(1η^5^-cyclopentadienyl)iodido-2κ<i>I</i>-[μ-2-(pyridin-2-yl)ethene-1,1-diyl-1κ<i>C</i>^1^:2κ^2^<i>N</i>,<i>C</i>^1^]ironpalladium(<i>Fe</i>—<i>Pd</i>) benzene monosolvate","Acta Crystallographica Section E","2017","73","1","68","71","10.1107/S2056989016019915","","","0.71073","MoKα","","0.0291","0.0257","","","0.064","0.0658","","","","","","1.145","","","","has coordinates,has Fobs","189331","2020-10-21","18:00:00",""
"2241994","10.289","0.004","7.141","0.003","40.33","0.016","90","","95.164","0.007","90","","2951","2","125","2","125","2","","","","","","","","5","P 1 21 1","P 2yb","4","","trichloro(3,3'-di-<i>t</i>-butyl-2'-hydroxy-5,5',6,6'-tetramethyl-1,1'-\ biphenyl-2-ol)(tetrahydrofuran)titanium(IV)","","- C28 H41 Cl3 O3 Ti -","- C28 H41 Cl3 O3 Ti -","- C112 H164 Cl12 O12 Ti4 -","4","2","RZ5202","Kim, Yun Young; Tanski, Joseph M.","Crystal structure of a rare trigonal bipyramidal titanium(IV) coordination complex: trichlorido(3,3'-di-<i>tert</i>-butyl-2'-hydroxy-5,5',6,6'-tetramethyl-1,1'-biphenyl-2-olato-κ<i>O</i>^2^)(tetrahydrofuran-κ<i>O</i>)titanium(IV)","Acta Crystallographica Section E","2017","73","1","88","91","10.1107/S2056989016020156","","","0.71073","MoKα","","0.1518","0.0643","","","0.0988","0.1235","","","","","","1.001","","","","has coordinates,has disorder,has Fobs","189332","2020-10-21","18:00:00",""
"2241995","5.88242","0.00016","20.2162","0.0005","7.7574","0.0002","90","","98.09","0.003","90","","913.33","0.04","292","2","292","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","Hexane-1,6-diaminium hexane-1,6-diyl bis(hydrogen phosphonate)","","- C12 H32 N2 O6 P2 -","- C12 H32 N2 O6 P2 -","- C24 H64 N4 O12 P4 -","2","0.5","","Reiss, Guido J.; van Megen, Martin; Frank, Walter","Hydrogen bonds and van der Waals forces as tools for the construction of a herringbone pattern in the crystal structure of hexane-1,6-diaminium hexane-1,6-diyl bis(hydrogen phosphonate)","Acta Crystallographica Section E","2017","73","1","76","80","10.1107/S2056989016019873","","","0.71073","MoKα","","0.0568","0.0471","","","0.0938","0.0983","","","","","","1.016","","","","has coordinates,has Fobs","189333","2020-10-21","18:00:00",""
"2241996","8.7644","0.0002","9.2002","0.0003","13.1212","0.0003","105.874","0.002","95.08","0.002","115.249","0.003","894.47","0.05","93","","93","","","","","","","","","2","P -1","-P 1","2","","7,15-Bis(4-<i>tert</i>-butylphenyl)-1,9-dimethylheptazethrene","","- C50 H44 -","- C50 H44 -","- C50 H44 -","1","0.5","IS5468","Kamata, Sho; Sato, Sota; Wu, Jishan; Isobe, Hiroyuki","Crystal structure of 7,15-bis(4-<i>tert</i>-butylphenyl)-1,9-dimethylheptazethrene","Acta Crystallographica Section E","2017","73","2","99","102","10.1107/S2056989016020247","","","1.54187","CuKα","","0.0471","0.044","","","0.1284","0.1311","","","","","","1.079","","","","has coordinates,has Fobs","189992","2020-10-21","18:00:00",""
"2241997","9.4601","0.0003","6.3779","0.0002","16.7425","0.0004","90","","104.196","0.001","90","","979.32","0.05","296","2","296","2","","","","","","","","3","P 1 21 1","P 2yb","4","","(1<i>R</i>,3a<i>R</i>,7a<i>R</i>)-1-{(<i>S</i>)-1-[(2<i>R</i>,5<i>S</i>)-5-(3-Hydroxypentan-3-yl)tetrahydrofuran-2-yl]ethyl}-7a-methyl-2,3,3a,4,5,6,7,7a-octahydro-1<i>H</i>-inden-4-one","","- C21 H36 O3 -","- C21 H36 O3 -","- C42 H72 O6 -","2","1","","Martínez, Andrea; Santalla, Hugo; Garrido, Fátima; Barry, Aliou Hamady; Gaye, Mohamed; Fall Diop, Yagamare","Crystal structure of (1<i>R</i>,3a<i>R</i>,7a<i>R</i>)-1-{(<i>S</i>)-1-[(2<i>R</i>,5<i>S</i>)-5-(3-hydroxypentan-3-yl)tetrahydrofuran-2-yl]ethyl}-7a-methyl-2,3,3a,4,5,6,7,7a-octahydro-1<i>H</i>-inden-4-one","Acta Crystallographica Section E","2017","73","2","115","117","10.1107/S2056989016020648","","","1.54178","CuKα","","0.0335","0.033","","","0.0961","0.0965","","","","","","1.047","","","","has coordinates,has Fobs","189994","2020-10-21","18:00:00",""
"2241998","6.4243","0.0012","31.818","0.006","7.6595","0.0014","90","","100.736","0.005","90","","1538.3","0.5","293","2","293","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","(<i>E</i>)-2-{[(4-Anilinophenyl)imino]methyl}-4-nitrophenol","","- C19 H15 N3 O3 -","- C19 H15 N3 O3 -","- C76 H60 N12 O12 -","4","1","HB7649","Faizi, Md. Serajul Haque; Haque, Ashanul; Kalibabchuk, Valentina A.","Crystal structure of (<i>E</i>)-2-{[(4-anilinophenyl)imino]methyl}-4-nitrophenol","Acta Crystallographica Section E","2017","73","2","112","114","10.1107/S2056989016020673","","","0.71073","MoKα","","0.1747","0.0667","","","0.0987","0.1246","","","","","","1.013","","","","has coordinates,has Fobs","189995","2020-10-21","18:00:00",""
"2241999","8.1468","0.0005","20.3402","0.0011","12.0155","0.0007","90","","90","","90","","1991.1","0.2","120","2","120","2","","","","","","","","4","P n m a","-P 2ac 2n","62","","22,24,25-Trimethyl-8,11,14-trioxa-25-azatetracyclo[19.3.1.0^2,7^.0^15,20^]pentacosa-2,4,6,15(20),16,18-hexaen-23-one","","- C24 H29 N O4 -","- C24 H29 N O4 -","- C96 H116 N4 O16 -","4","0.5","XU5896","Nguyen, Van Tuyen; Truong, Hong Hieu; Le, Tuan Anh; Soldatenkov, Anatoly T.; Thi, Tuyet Anh Dang; Tran, Thi Thanh Van; Esina, Natalia Ya.; Khrustalev, Victor N.","Crystal structure of 22,24,25-trimethyl-8,11,14-trioxa-25-azatetracyclo[19.3.1.0^2,7^.0^15,20^]pentacosa-2,4,6,15(20),16,18-hexaen-23-one","Acta Crystallographica Section E","2017","73","2","118","121","10.1107/S2056989016020508","","","0.71073","MoKα","","0.076","0.0561","","","0.1197","0.1298","","","","","","1.018","","","","has coordinates,has Fobs","189996","2020-10-21","18:00:00",""
"2242000","11.8301","0.0007","22.3946","0.0013","13.4254","0.0008","90","","90","","90","","3556.8","0.4","100","2","100","2","","","","","","","","6","P b c n","-P 2n 2ab","60","","Di-μ-bromido-μ-{2-(2,2-dimethylpropanimidoyl)-<i>N</i>-[2-(2,2-dimethylpropanimidoyl)-4-methylphenyl]-4-methylaniline}-bis[(diethyl ether)lithium]","","- C32 H53 Br2 Li2 N3 O2 -","- C32 H53 Br2 Li2 N3 O2 -","- C128 H212 Br8 Li8 N12 O8 -","4","0.5","LH5823","Pedziwiatr, Jakub; Ghiviriga, Ion; Abboud, Khalil A.; Veige, Adam S.","Crystal structures of a novel NNN pincer ligand and its dinuclear titanium(IV) alkoxide pincer complex","Acta Crystallographica Section E","2017","73","2","122","126","10.1107/S2056989016019964","","","0.71073","MoKα","","0.0701","0.0521","","","0.1329","0.1399","","","","","","1.026","","","","has coordinates,has disorder,has Fobs","189999","2020-10-21","18:00:00",""
"2242001","12.2546","0.0003","12.724","0.0003","15.9477","0.0005","75.8613","0.0015","68.0449","0.0015","83.22","0.0017","2235.49","0.11","100","2","100","2","","","","","","","","7","P -1","-P 1","2","","Di-μ-bromido-2:3κ^4^<i>Br</i>:<i>Br</i>-bis{2-(2,2-dimethylpropanimidoyl)-<i>N</i>-[2-(2,2-dimethylpropanimidoyl)-4-methylphenyl]-4-methylaniline}-1κ^3^<i>N</i>,<i>N</i>',<i>N</i>'';4κ^3^<i>N</i>,<i>N</i>',<i>N</i>''-tetra-μ-isopropanolato-1:2κ^4^<i>O</i>:<i>O</i>;3:4κ^4^<i>O</i>:<i>O</i>-diisopropanolato-1κ<i>O</i>,4κ<i>O</i>-2,3-dilithium-1,4-dititanium","","- C97.5 H140 Br2 Li2 N6 O6 Ti2 -","- C66 H106 Br2 Li2 N6 O6 Ti2 -","- C66 H106 Br2 Li2 N6 O6 Ti2 -","1","0.5","","Pedziwiatr, Jakub; Ghiviriga, Ion; Abboud, Khalil A.; Veige, Adam S.","Crystal structures of a novel NNN pincer ligand and its dinuclear titanium(IV) alkoxide pincer complex","Acta Crystallographica Section E","2017","73","2","122","126","10.1107/S2056989016019964","","","1.54178","CuKα","","0.067","0.0579","","","0.1635","0.1723","","","","","","1.099","","","","has coordinates,has disorder,has Fobs","189999","2020-10-21","18:00:00",""
"2242002","6.715","0.0006","10.9591","0.0013","11.1704","0.001","72.162","0.009","79.721","0.007","76.873","0.008","756.79","0.14","173","2","173","2","","","","","","","","5","P -1","-P 1","2","","3-Chloro-3-methyl-<i>r</i>-2,<i>c</i>-6-diphenylpiperidin-4-one","","- C18 H18 Cl N O -","- C18 H18 Cl N O -","- C36 H36 Cl2 N2 O2 -","2","1","HB7647","Arulraj, R.; Sivakumar, S.; Kaur, Manpreet; Thiruvalluvar, A.; Jasinski, Jerry P.","Crystal structures of three 3-chloro-3-methyl-2,6-diarylpiperidin-4-ones","Acta Crystallographica Section E","2017","73","2","107","111","10.1107/S2056989016020661","","","1.54184","CuKα","","0.0666","0.0573","","","0.1561","0.1683","","","","","","1.045","","","","has coordinates,has Fobs","190000","2020-10-21","18:00:00",""
"2242003","13.0578","0.0002","22.6513","0.0004","5.93756","0.00008","90","","90","","90","","1756.19","0.05","173","2","173","2","","","","","","","","5","P n a 21","P 2c -2n","33","","3-Chloro-3-methyl-<i>r</i>-2,<i>c</i>-6-di-<i>p</i>-tolylpiperidin-4-one","","- C20 H22 Cl N O -","- C20 H22 Cl N O -","- C80 H88 Cl4 N4 O4 -","4","1","","Arulraj, R.; Sivakumar, S.; Kaur, Manpreet; Thiruvalluvar, A.; Jasinski, Jerry P.","Crystal structures of three 3-chloro-3-methyl-2,6-diarylpiperidin-4-ones","Acta Crystallographica Section E","2017","73","2","107","111","10.1107/S2056989016020661","","","1.54184","CuKα","","0.035","0.0339","","","0.0857","0.087","","","","","","1.066","","","","has coordinates,has Fobs","190000","2020-10-21","18:00:00",""
"2242004","13.243","0.0004","22.3945","0.0006","5.81947","0.00014","90","","90","","90","","1725.88","0.08","173","2","173","2","","","","","","","","5","P n a 21","P 2c -2n","33","","3-Chloro-3-methyl-<i>r</i>-2,<i>c</i>-6-bis(4-chlorophenyl)piperidin-4-one","","- C18 H16 Cl3 N O -","- C18 H16 Cl3 N O -","- C72 H64 Cl12 N4 O4 -","4","1","","Arulraj, R.; Sivakumar, S.; Kaur, Manpreet; Thiruvalluvar, A.; Jasinski, Jerry P.","Crystal structures of three 3-chloro-3-methyl-2,6-diarylpiperidin-4-ones","Acta Crystallographica Section E","2017","73","2","107","111","10.1107/S2056989016020661","","","1.54184","CuKα","","0.0336","0.0319","","","0.082","0.0836","","","","","","1.02","","","","has coordinates,has Fobs","190000","2020-10-21","18:00:00",""
"2242005","7.9596","0.0018","8.76","0.0017","24.121","0.004","76.138","0.008","81.803","0.008","87.253","0.009","1616","0.6","123","","123","","","","","","","","","6","P -1","-P 1","2","","Bis{<i>N</i>-[1-(pyridin-2-yl-κ<i>N</i>)ethyl]pyridine-4-carbohydrazonato-κ^2^<i>N</i>',<i>O</i>}nickel(II)‒2,5-dichloroterephthalic acid (1/1)","","- C34 H26 Cl2 N8 Ni O6 -","- C34 H26 Cl2 N8 Ni O6 -","- C68 H52 Cl4 N16 Ni2 O12 -","2","1","HB7631","Nakanishi, Takumi; Sato, Osamu","Crystal structures of two nickel compounds comprising neutral Ni^II^ hydrazone complexes and dicarboxylic acids","Acta Crystallographica Section E","2017","73","2","103","106","10.1107/S2056989016020326","","","0.71075","MoKα","","0.0569","0.0527","","","0.1256","0.1298","","","","","","1.133","","","","has coordinates,has Fobs","190001","2020-10-21","18:00:00",""
"2242006","7.874","0.0014","8.9716","0.0015","24.233","0.004","75.04","0.009","82.162","0.01","86.007","0.011","1637.3","0.5","123","","123","","","","","","","","","6","P -1","-P 1","2","","Bis{<i>N</i>-[1-(pyridin-2-yl-κ<i>N</i>)ethyl]pyridine-4-carbohydrazonato-κ^2^<i>N</i>',<i>O</i>}nickel(II)‒2,5-dibromoterephthalic acid (1/1)","","- C34 H26 Br2 N8 Ni O6 -","- C34 H26 Br2 N8 Ni O6 -","- C68 H52 Br4 N16 Ni2 O12 -","2","1","HB7631","Nakanishi, Takumi; Sato, Osamu","Crystal structures of two nickel compounds comprising neutral Ni^II^ hydrazone complexes and dicarboxylic acids","Acta Crystallographica Section E","2017","73","2","103","106","10.1107/S2056989016020326","","","0.71075","MoKα","","0.0582","0.0505","","","0.103","0.1073","","","","","","1.141","","","","has coordinates,has Fobs","190001","2020-10-21","18:00:00",""
"2242007","11.1554","0.0008","45.224","0.003","11.5856","0.0008","90","","96.645","0.002","90","","5805.6","0.7","100","2","100","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","(<i>E</i>)-<i>N</i>^1^-[(Anthracen-9-yl)methylidene]-<i>N</i>^4^-phenylbenzene-1,4-diamine","","- C27 H20 N2 -","- C27 H20 N2 -","- C324 H240 N24 -","12","3","ZS2373","Faizi, Md. Serajul Haque; Haque, Ashanul; Ahmad, Musheer; Golenya, Irina A.","Crystal structure of (<i>E</i>)-<i>N</i>^1^-[(anthracen-9-yl)methylidene]-<i>N</i>^4^-phenylbenzene-1,4-diamine","Acta Crystallographica Section E","2017","73","2","137","140","10.1107/S2056989016020612","","","0.71073","MoKα","","0.0924","0.0521","","","0.1057","0.121","","","","","","1.037","","","","has coordinates,has Fobs","190358","2020-10-21","18:00:00",""
"2242008","10.7731","0.0006","13.1932","0.0006","17.0021","0.0009","104.53","0.002","96.3822","0.0016","110.836","0.0015","2131.96","0.19","100","2","100","2","","","","","","","","8","P -1","-P 1","2","","(2,2'-Bipyridyl)[2,6-bis(1-butyl-1<i>H</i>-benzimidazol-2-yl)pyridine]chloridoiridium(III) trifluoromethanesulfonate","","- C39 H37 Cl F6 Ir N7 O6 S2 -","- C39 H37 Cl F6 Ir N7 O6 S2 -","- C78 H74 Cl2 F12 Ir2 N14 O12 S4 -","2","1","","Smith, Victoria I.; Nozari, Mohammad; Zeller, Matthias; Addison, Anthony W.","Crystal structure of (2,2'-bipyridyl)[2,6-bis(1-butyl-1<i>H</i>-benzimidazol-2-yl)pyridine]chloridoiridium(III) trifluoromethanesulfonate","Acta Crystallographica Section E","2017","73","2","127","132","10.1107/S205698901700010X","","","0.71073","MoKα","","0.0624","0.0418","","","0.0762","0.0814","","","","","","1.026","","","","has coordinates,has disorder,has Fobs","190359","2020-10-21","18:00:00",""
"2242009","11.627","0.004","18.929","0.004","13.085","0.003","90","","93.67","0.02","90","","2873.9","1.3","293","2","293","2","","","","","","","","4","P 1 21 1","P 2yb","4","","5-Amino-1-(2',3'-<i>O</i>-isopropylidene-<i>D</i>-ribityl)-1<i>H</i>-imidazole-4-carboxamide","","- C12 H20 N4 O5 -","- C12 H20 N4 O5 -","- C96 H160 N32 O40 -","8","4","SU5343","Piccialli, Vincenzo; Borbone, Nicola; Oliviero, Giorgia; Piccialli, Gennaro; D'Errico, Stefano; Centore, Roberto","5-Amino-1-(2',3'-<i>O</i>-isopropylidene-<small>D</small>-ribityl)-1<i>H</i>-imidazole-4-carboxamide: a crystal structure with <i>Z</i>' = 4","Acta Crystallographica Section E","2017","73","2","183","187","10.1107/S2056989017000500","","","0.71073","MoKα","","0.055","0.0389","","","0.08","0.0873","","","","","","1.063","","","","has coordinates,has Fobs","190477","2020-10-21","18:00:00",""
"2242010","15.7287","0.0008","16.153","0.001","20.2896","0.0008","98.782","0.004","104.35","0.004","118.407","0.006","4165.4","0.5","123","2","123","2","","","","","","","","6","P -1","-P 1","2","","Tris[(4,7,13,16,21,24-hexaoxa-1,10-diazabicyclo[8.8.8]hexacosane-κ^8^N~2~,O~6~)rubidium] rubidium nonastannide","","- C54 H108 N6 O18 Rb4 Sn9 -","- C54 H108 N6 O18 Rb4 Sn9 -","- C108 H216 N12 O36 Rb8 Sn18 -","2","1","WM5352","Klein, Wilhelm; He, Haiyan; Fässler, Thomas F.","Crystal structure of tris[(4,7,13,16,21,24-hexaoxa-1,10-diazabicyclo[8.8.8]hexacosane-κ^8^<i>N</i>~2~,<i>O</i>~6~)rubidium] rubidium nonastannide","Acta Crystallographica Section E","2017","73","2","147","151","10.1107/S2056989017000172","","","0.71073","MoKα","","0.183","0.0541","","","0.0758","0.0935","","","","","","0.622","","","","has coordinates,has Fobs","190478","2020-10-21","18:00:00",""
"2242011","11.2463","0.0007","11.2463","0.0007","33.938","0.002","90","","90","","90","","4292.5","0.5","100","2","100","2","","","","","","","","7","P 43","P 4cw","78","","Bis{(<i>S</i>)-1-[2-(diphenylphosphanyl)ferrocenyl]-(<i>R</i>)-ethyl}ammonium bromide dichloromethane monosolvate","","- C49 H48 Br Cl2 Fe2 N P2 -","- C49 H48 Br Cl2 Fe2 N P2 -","- C196 H192 Br4 Cl8 Fe8 N4 P8 -","4","1","","Zirakzadeh, Afrooz; Stöger, Berthold; Kirchner, Karl","Crystal structure of bis{(<i>S</i>)-1-[2-(diphenylphosphanyl)ferrocenyl]-(<i>R</i>)-ethyl}ammonium bromide dichloromethane monosolvate","Acta Crystallographica Section E","2017","73","2","152","154","10.1107/S2056989016020417","","","0.71073","MoKα","","0.0433","0.0324","","","0.0597","0.0625","","","","","","0.981","","","","has coordinates,has Fobs","190479","2020-10-21","18:00:00",""
"2242012","5.7504","0.0004","9.719","0.0006","12.1976","0.0007","111.196","0.002","96.759","0.002","98.497","0.002","617.69","0.07","200","2","200","2","","","","","","","","4","P -1","-P 1","2","5-Nitroisatin-3-phenylhydrazone","(3<i>E</i>)-5-nitro-3-(2-phenylhydrazinylidene)-1<i>H</i>-indol-2(3<i>H</i>)-one","","- C14 H10 N4 O3 -","- C14 H10 N4 O3 -","- C28 H20 N8 O6 -","2","1","","Velasques, Jecika Maciel; Gervini, Vanessa Carratu; Bortoluzzi, Adaílton João; de Farias, Renan Lira; de Oliveira, Adriano Bof","Crystal structure of (3<i>E</i>)-5-nitro-3-(2-phenylhydrazinylidene)-1<i>H</i>-indol-2(3<i>H</i>)-one","Acta Crystallographica Section E","2017","73","2","168","172","10.1107/S2056989016020375","","","0.71073","MoKα","","0.0489","0.039","","","0.1079","0.1166","","","","","","1.026","","","","has coordinates,has Fobs","190480","2020-10-21","18:00:00",""
"2242013","7.5256","0.0002","10.2095","0.0003","15.6299","0.0004","93.99","0.001","94.679","0.001","101.089","0.002","1170.07","0.06","296","2","296","2","","","","","","","","3","P -1","-P 1","2","","Dimethyl 4-(4-methoxyphenyl)-2-(4-methylphenyl)-1-oxo-1,2-dihydronaphthalene-2,3-dicarboxylate","","- C28 H24 O6 -","- C28 H24 O6 -","- C56 H48 O12 -","2","1","IS5470","Gopinath, S.; Narayanan, P.; Sethusankar, K.; Karunakaran, Jeyachandran; Nandakumar, Meganathan; Mohanakrishnan, Arasambattu K.","Crystal structures of three 1-oxo-1,2-dihydronaphthalene derivatives: dimethyl 4-(4-methoxyphenyl)-2-(4-methylphenyl)-1-oxo-1,2-dihydronaphthalene-2,3-dicarboxylate, dimethyl 1-oxo-2-(pyren-4-yl)-4-(thiophen-2-yl)-1,2-dihydronaphthalene-2,3-dicarboxylate and ethyl 1-oxo-2-phenyl-2,4-bis(thiophen-2-yl)-1,2-dihydronaphthalene-3-carboxylate","Acta Crystallographica Section E","2017","73","2","177","182","10.1107/S2056989017000469","","","0.71073","MoKα","","0.0499","0.0398","","","0.1026","0.1112","","","","","","1.026","","","","has coordinates,has Fobs","190481","2020-10-21","18:00:00",""
"2242014","10.9268","0.001","18.967","0.0014","12.2628","0.0009","90","","93.03","0.002","90","","2537.9","0.4","296","2","296","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","Dimethyl 1-oxo-2-(pyren-4-yl)-4-(thiophen-2-yl)-1,2-dihydronaphthalene-2,3-dicarboxylate","","- C34 H22 O5 S -","- C34 H22 O5 S -","- C136 H88 O20 S4 -","4","1","IS5470","Gopinath, S.; Narayanan, P.; Sethusankar, K.; Karunakaran, Jeyachandran; Nandakumar, Meganathan; Mohanakrishnan, Arasambattu K.","Crystal structures of three 1-oxo-1,2-dihydronaphthalene derivatives: dimethyl 4-(4-methoxyphenyl)-2-(4-methylphenyl)-1-oxo-1,2-dihydronaphthalene-2,3-dicarboxylate, dimethyl 1-oxo-2-(pyren-4-yl)-4-(thiophen-2-yl)-1,2-dihydronaphthalene-2,3-dicarboxylate and ethyl 1-oxo-2-phenyl-2,4-bis(thiophen-2-yl)-1,2-dihydronaphthalene-3-carboxylate","Acta Crystallographica Section E","2017","73","2","177","182","10.1107/S2056989017000469","","","0.71073","MoKα","","0.0616","0.0392","","","0.0915","0.1053","","","","","","1.043","","","","has coordinates,has disorder,has Fobs","190481","2020-10-21","18:00:00",""
"2242015","12.1263","0.0011","11.8009","0.0011","16.0657","0.0013","90","","100.181","0.002","90","","2262.8","0.3","296","2","296","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","Ethyl 4-oxo-3-phenyl-1,3-bis(thiophen-2-yl)-3,4-dihydronaphthalene-2-carboxylate","","- C27 H20 O3 S2 -","- C27 H20 O3 S2 -","- C108 H80 O12 S8 -","4","1","IS5470","Gopinath, S.; Narayanan, P.; Sethusankar, K.; Karunakaran, Jeyachandran; Nandakumar, Meganathan; Mohanakrishnan, Arasambattu K.","Crystal structures of three 1-oxo-1,2-dihydronaphthalene derivatives: dimethyl 4-(4-methoxyphenyl)-2-(4-methylphenyl)-1-oxo-1,2-dihydronaphthalene-2,3-dicarboxylate, dimethyl 1-oxo-2-(pyren-4-yl)-4-(thiophen-2-yl)-1,2-dihydronaphthalene-2,3-dicarboxylate and ethyl 1-oxo-2-phenyl-2,4-bis(thiophen-2-yl)-1,2-dihydronaphthalene-3-carboxylate","Acta Crystallographica Section E","2017","73","2","177","182","10.1107/S2056989017000469","","","0.71073","MoKα","","0.1018","0.0607","","","0.1226","0.1469","","","","","","1.086","","","","has coordinates,has disorder,has Fobs","190481","2020-10-21","18:00:00",""
"2242016","8.691","0.0004","11.7296","0.0005","13.12","0.0006","83.922","0.001","77.829","0.001","74.064","0.001","1255.53","0.1","223.15","","223.15","","","","","","","","","6","P -1","-P 1","2","","<i>catena</i>-Poly[[aqua(sulfato-κ<i>O</i>)hemi(μ-ethane-1,2-diol-κ^2^<i>O</i>:<i>O</i>')[μ~3~-1,3,5-tris(1<i>H</i>-imidazol-1-ylmethyl)benzene-κ^3^<i>N</i>^3^,<i>N</i>^3'^,<i>N</i>^3''^]nickel(II)] ethane-1,2-diol monosolvate monohydrate]","","- C21 H31 N6 Ni O9 S -","- C21 H31 N6 Ni O9 S -","- C42 H62 N12 Ni2 O18 S2 -","2","1","ZL2688","Zhong, Kai-Long","A new one-dimensional Ni^II^ coordination polymer with a two-dimensional supramolecular architecture","Acta Crystallographica Section E","2017","73","2","192","195","10.1107/S2056989017000470","","","0.71073","MoKα","","0.0349","0.0307","","","0.0746","0.0769","","","","","","1.05","","","","has coordinates,has Fobs","190482","2020-10-21","18:00:00",""
"2242017","6.9094","0.001","7.5828","0.0012","16.468","0.003","79.455","0.004","84.489","0.004","83.833","0.004","840.7","0.2","200","2","200","2","","","","","","","","6","P -1","-P 1","2","","Bis(4-carboxy-1<i>H</i>-imidazol-3-ium) tetrachloridozincate monohydrate","","- C8 H12 Cl4 N4 O5 Zn -","- C8 H12 Cl4 N4 O5 Zn -","- C16 H24 Cl8 N8 O10 Zn2 -","2","1","PJ2040","Martens, Sean J.; Geiger, David K.","Structural characterization of two tetrachloridozincate salts of 4-carboxy-1<i>H</i>-imidazol-3-ium: a salt hydrate and a co-crystal salt hydrate","Acta Crystallographica Section E","2017","73","2","162","167","10.1107/S2056989017000317","","","0.71073","MoKa","","0.0287","0.0243","","","0.0618","0.0643","","","","","","1.03","","","","has coordinates,has Fobs","190483","2020-10-21","18:00:00",""
"2242018","6.9369","0.0019","6.9624","0.0015","28.483","0.008","89.524","0.009","85.622","0.009","71.202","0.008","1298.3","0.6","200","2","200","2","","","","","","","","6","P -1","-P 1","2","","bis(4-carboxy-1<i>H</i>-imidazol-3-ium) tetrachloridozincate bis(1<i>H</i>-imidazol-3-ium-4-carboxylato) monohydrate","","- C16 H20 Cl4 N8 O9 Zn -","- C16 H20 Cl4 N8 O9 Zn -","- C32 H40 Cl8 N16 O18 Zn2 -","2","1","PJ2040","Martens, Sean J.; Geiger, David K.","Structural characterization of two tetrachloridozincate salts of 4-carboxy-1<i>H</i>-imidazol-3-ium: a salt hydrate and a co-crystal salt hydrate","Acta Crystallographica Section E","2017","73","2","162","167","10.1107/S2056989017000317","","","0.71073","MoKa","","0.072","0.0497","","","0.1235","0.1345","","","","","","1.026","","","","has coordinates,has disorder,has Fobs","190483","2020-10-21","18:00:00",""
"2242019","4.088","0.0003","21.2246","0.0015","10.2037","0.0007","90","","99.407","0.003","90","","873.43","0.11","100","2","100","2","","","","","","","","5","P 1 21 1","P 2yb","4","","Ethyl 2-{[4-ethyl-5-(quinolin-8-yloxymethyl)-4<i>H</i>-1,2,4-triazol-3-yl]sulfanyl}acetate","","- C18 H20 N4 O3 S -","- C18 H20 N4 O3 S -","- C36 H40 N8 O6 S2 -","2","1","XU5898","Bahoussi, Rawia Imane; Djafri, Ahmed; Chouaih, Abdelkader; Djafri, Ayada; Hamzaoui, Fodil","Crystal structure and Hirshfeld surface analysis of ethyl 2-{[4-ethyl-5-(quinolin-8-yloxymethyl)-4<i>H</i>-1,2,4-triazol-3-yl]sulfanyl}acetate","Acta Crystallographica Section E","2017","73","2","173","176","10.1107/S205698901700041X","","","0.71073","MoKα","","0.044","0.036","","","0.0903","0.0943","","","","","","1.061","","","","has coordinates,has Fobs","190484","2020-10-21","18:00:00",""
"2242020","12.0421","0.0001","12.0421","0.0001","11.3925","0.0002","90","","90","","90","","1652.05","0.03","100","2","100","2","","","","","","","","5","P 4/n","-P 4a","85","","Sodium pentapotassium dichloride bis(dithionate)","","- Cl2 K5 Na O12 S4 -","- Cl2 K5 Na O12 S4 -","- Cl8 K20 Na4 O48 S16 -","4","","WM5357","Harrison, William T. A.; Plater, M. John","An unexpected oxidation: NaK~5~Cl~2~(S~2~O~6~)~2~ revisited","Acta Crystallographica Section E","2017","73","2","188","191","10.1107/S2056989017000494","","","0.71073","MoKα","","0.0162","0.0153","","","0.0427","0.0432","","","","","","1.059","","","","has coordinates,has Fobs","190485","2020-10-21","18:00:00",""
"2242021","6.8658","0.0001","8.7614","0.0001","7.2447","0.0001","90","","114.219","0.002","90","","397.441","0.011","123","2","123.15","","","","","","","","","5","P 1 21/n 1","-P 2yn","14","Rubidium methyldiazotate","Rubidium methyldiazotate","","- C H3 N2 O Rb -","- C H3 N2 O Rb -","- C4 H12 N8 O4 Rb4 -","4","1","PK2593","Grassl, Tobias; Korber, Nikolaus","Crystal structure of rubidium methyldiazotate","Acta Crystallographica Section E","2017","73","2","159","161","10.1107/S2056989016020429","","","0.71073","MoKα","","0.0206","0.0173","","","0.0412","0.0416","","","","","","1.039","","","","has coordinates,has Fobs","190486","2020-10-21","18:00:00",""
"2242022","11.747","0.008","9.793","0.002","17.339","0.004","90","","102.48","0.05","90","","1947.5","1.5","298","2","298","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","Bis(imidazo[1,2-<i>a</i>]pyridin-1-ium) tetrachloridocuprate(II) dihydrate","","- C14 H18 Cl4 Cu N4 O2 -","- C14 H18 Cl4 Cu N4 O2 -","- C56 H72 Cl16 Cu4 N16 O8 -","4","0.5","VN2122","Mokaddem, Sonia; Boughzala, Habib","Bis(imidazo[1,2-<i>a</i>]pyridin-1-ium) tetrachloridocuprate(II) dihydrate","Acta Crystallographica Section E","2017","73","2","196","199","10.1107/S2056989017000482","","","0.71073","MoKα","","0.0481","0.0382","","","0.1009","0.108","","","","","","1.035","","","","has coordinates,has Fobs","190487","2020-10-21","18:00:00",""
"2242023","8.3676","0.0017","13.088","0.003","6.4867","0.0013","90","","106.3","0.03","90","","681.8","0.3","170","","170","","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","5-Methylsalicylaldehyde","2-Hydroxy-5-methylbenzaldehyde","","- C8 H8 O2 -","- C8 H8 O2 -","- C32 H32 O8 -","4","1","LH5831","Baisch, Ulrich; Scicluna, Marie Christine; Näther, Christian; Vella-Zarb, Liana","Planar <i>versus</i> non-planar: The important role of weak C—H···O hydrogen bonds in the crystal structure of 5-methylsalicylaldehyde","Acta Crystallographica Section E","2017","73","2","155","158","10.1107/S2056989017000238","","","0.71073","MoKα","","0.0597","0.0453","","","0.1102","0.1177","","","","","","1.073","","","","has coordinates,has Fobs","190488","2020-10-21","18:00:00",""
"2242025","7.3957","0.0007","4.0932","0.0006","18.1873","0.0017","90","","90","","90","","550.57","0.11","123","2","123.15","","","","","","","","","4","P n m a","-P 2ac 2n","62","Rubidium peroxide ammonia disolvate","Rubidium peroxide ammonia disolvate","","- H6 N2 O2 Rb2 -","- H6 N2 O2 Rb2 -","- H24 N8 O8 Rb8 -","4","0.5","PJ2039","Grassl, Tobias; Korber, Nikolaus","Crystal structure of rubidium peroxide ammonia disolvate","Acta Crystallographica Section E","2017","73","2","200","202","10.1107/S2056989017000354","","","0.71073","MoKα","","0.0565","0.0499","","","0.1167","0.1183","","","","","","1.346","","","","has coordinates,has Fobs","190794","2020-10-21","18:00:00",""
"2242026","11.8807","0.0004","12.1279","0.0007","8.3962","0.0002","90","","90","","90","","1209.79","0.09","173","2","173","2","","","","","","","","5","P n n m","-P 2 2n","58","","Bis(1-ethylpyridinium) dioxonium hexacyanidoferrate(II)","","- C20 H26 Fe N8 O2 -","- C20 H26 Fe N8 O2 -","- C40 H52 Fe2 N16 O4 -","2","0.25","WM5355","Tanaka, Rikako; Matsushita, Nobuyuki","Crystal structure of bis(1-ethylpyridinium) dioxonium hexacyanidoferrate(II)","Acta Crystallographica Section E","2017","73","2","219","222","10.1107/S2056989017000810","","","0.7107","MoKα","","0.0455","0.036","","","0.0852","0.0927","","","","","","1.108","","","","has coordinates,has Fobs","190795","2020-10-21","18:00:00",""
"2242027","24.3426","0.0018","10.4266","0.0007","7.8315","0.0006","90","","90","","90","","1987.7","0.3","200","2","200","2","","","","","","","","6","C m c 21","C 2c -2","36","potassium <i>p</i>-arsanilate sesquihydrate","Poly[di-μ~3~-4-aminophenylarsonato-tri-μ~2~-aqua-dipotassium]","","- C6 H10 As K N O4.5 -","- C6 H10 As K N O4.5 -","- C48 H80 As8 K8 N8 O36 -","8","1","WM5350","Smith, Graham; Wermuth, Urs D.","Crystal structures and hydrogen bonding in the isotypic series of hydrated alkali metal (K, Rb and Cs) complexes with 4-aminophenylarsonic acid","Acta Crystallographica Section E","2017","73","2","203","208","10.1107/S2056989017000445","","","0.71073","MoKα","","0.0364","0.0303","","","0.0878","0.1254","","","","","","1.231","","","","has coordinates,has Fobs","196234","2020-10-21","18:00:00",""
"2242028","24.4783","0.0019","10.4577","0.0009","8.0978","0.0007","90","","90","","90","","2072.9","0.3","200","1","200","1","","","","","","","","6","C m c 21","C 2c -2","36","rubidium <i>p</i>-arsanilate sesquihydrate","Poly[di-μ~3~-4-aminophenylarsonato-tri-μ~2~-aqua-dirubidium]","","- C6 H10 As N O4.5 Rb -","- C6 H10 As N O4.5 Rb -","- C48 H80 As8 N8 O36 Rb8 -","8","1","WM5350","Smith, Graham; Wermuth, Urs D.","Crystal structures and hydrogen bonding in the isotypic series of hydrated alkali metal (K, Rb and Cs) complexes with 4-aminophenylarsonic acid","Acta Crystallographica Section E","2017","73","2","203","208","10.1107/S2056989017000445","","","0.71073","MoKα","","0.0371","0.032","","","0.07","0.0723","","","","","","1.026","","","","has coordinates,has Fobs","196234","2020-10-21","18:00:00",""
"2242029","24.65","0.003","10.4373","0.0009","8.3992","0.0007","90","","90","","90","","2160.9","0.4","200","2","200","2","","","","","","","","6","C m c 21","C 2c -2","36","caesium <i>p</i>-arsanilate sesquihydrate","Poly[di-μ~3~-4-aminophenylarsonato-tri-μ~2~-aqua-dicaesium]","","- C6 H10 As Cs N O4.5 -","- C6 H10 As Cs N O4.5 -","- C48 H80 As8 Cs8 N8 O36 -","8","1","WM5350","Smith, Graham; Wermuth, Urs D.","Crystal structures and hydrogen bonding in the isotypic series of hydrated alkali metal (K, Rb and Cs) complexes with 4-aminophenylarsonic acid","Acta Crystallographica Section E","2017","73","2","203","208","10.1107/S2056989017000445","","","0.71073","MoKα","","0.0467","0.0405","","","0.126","0.1597","","","","","","1.183","","","","has coordinates,has Fobs","196234","2020-10-21","18:00:00",""
"2242030","10.2029","0.0015","15.089","0.002","7.7814","0.0011","90","","111.545","0.004","90","","1114.3","0.3","296","","296","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","<i>catena</i>-Poly[[bis(acetato-κ<i>O</i>)copper(II)]-bis[μ-4-(1<i>H</i>-imidazol-1-yl)phenol]-κ^2^<i>N</i>^3^:<i>O</i>;κ^2^<i>O</i>:<i>N</i>^3^]","","- C22 H22 Cu N4 O6 -","- C22 H22 Cu N4 O6 -","- C44 H44 Cu2 N8 O12 -","2","0.5","","Poyraz, Mehmet; Sarı, Musa","Crystal structure of <i>catena</i>-poly[[bis(acetato-κ<i>O</i>)copper(II)]-bis[μ-4-(1<i>H</i>-imidazol-1-yl)phenol]-κ^2^<i>N</i>^3^:<i>O</i>;κ^2^<i>O</i>:<i>N</i>^3^]","Acta Crystallographica Section E","2017","73","2","209","212","10.1107/S2056989017000780","","","0.71073","MoKα","","0.0593","0.0413","","","0.0926","0.0997","","","","","","1.15","","","","has coordinates,has Fobs","190797","2020-10-21","18:00:00",""
"2242031","19.5028","0.0017","5.0553","0.0004","15.7573","0.0013","90","","90","","90","","1553.6","0.2","150","2","150","2","","","","","","","","4","P b c n","-P 2n 2ab","60","","<i>catena</i>-Poly[[copper(II)-μ~2~-salicylato-[diaquacopper(II)]-μ~2~-salicylato] dihydrate]","","- C14 H16 Cu2 O10 -","- C14 H16 Cu2 O10 -","- C56 H64 Cu8 O40 -","4","0.5","WM5360","van der Horn, Jitschaq A.; Lutz, Martin","Crystal structure of <i>catena</i>-poly[[copper(II)-μ~2~-salicylato-[diaquacopper(II)]-μ~2~-salicylato] dihydrate]","Acta Crystallographica Section E","2017","73","2","235","238","10.1107/S2056989017000883","","","0.71073","MoKα","","0.0741","0.038","","","0.0845","0.0975","","","","","","1.04","","","","has coordinates,has Fobs","190798","2020-10-21","18:00:00",""
"2242032","6.9633","0.0003","19.5008","0.0009","10.2031","0.0005","90","","95.196","0.002","90","","1379.78","0.11","297","2","297","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","(<i>E</i>)-4-Hydroxy-6-methyl-3-{1-[2-(4-nitrophenyl)hydrazin-1-ylidene]ethyl}-2<i>H</i>-pyran-2-one","","- C14 H13 N3 O5 -","- C14 H13 N3 O5 -","- C56 H52 N12 O20 -","4","1","LH5834","Kirandeep; Husain, Ahmad; Negi, Pooja; Kumar, Girijesh; Kataria, Ramesh","Crystal structure of (<i>E</i>)-4-hydroxy-6-methyl-3-{1-[2-(4-nitrophenyl)hydrazinylidene]ethyl}-2<i>H</i>-pyran-2-one","Acta Crystallographica Section E","2017","73","2","223","226","10.1107/S2056989017000639","","","0.71073","MoKα","","0.052","0.0433","","","0.1161","0.1211","","","","","","1.077","","","","has coordinates,has Fobs","190799","2020-10-21","18:00:00",""
"2242033","11.9999","0.0004","6.3815","0.0002","16.1374","0.0006","90","","109.54","0.002","90","","1164.59","0.07","100","2","100","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","cobalt(II) isobutyrate dihydrate","<i>catena</i>-Poly[[μ-aqua-bis(μ-2-methylpropanoato)-κ^2^<i>O</i>:<i>O</i>';κ^2^<i>O</i>:<i>O</i>-cobalt(II)] monohydrate]","","- C8 H18 Co O6 -","- C8 H18 Co O6 -","- C32 H72 Co4 O24 -","4","1","ZS2371","Fischer, Andrei I.; Gurzhiy, Vladislav V.; Aleksandrova, Julia V.; Pakina, Maria I.","Crystal structure of a Co^II^ coordination polymer: <i>catena</i>-poly[[μ-aqua-bis(μ-2-methylpropanoato)-κ^2^<i>O</i>:<i>O</i>';κ^2^<i>O</i>:<i>O</i>-cobalt(II)] monohydrate]","Acta Crystallographica Section E","2017","73","3","318","321","10.1107/S2056989017001360","","","0.71073","MoKα","","0.03","0.0259","","","0.0666","0.068","","","","","","1.028","","","","has coordinates","191352","2020-10-21","18:00:00",""
"2242034","8.5237","0.0003","12.7145","0.0004","13.0583","0.0005","105.022","0.003","97.347","0.003","104.866","0.002","1292.12","0.08","296","","296","2","","","","","","","","5","P -1","-P 1","2","","Bis(μ-3-nitrobenzoato)-κ^3^<i>O</i>,<i>O</i>':<i>O</i>;κ^3^<i>O</i>:<i>O</i>,<i>O</i>'-bis[bis(3-cyanopyridine-κ<i>N</i>^1^)(3-nitrobenzoato-κ^2^<i>O</i>,<i>O</i>')cadmium]","","- C52 H32 Cd2 N12 O16 -","- C52 H32 Cd2 N12 O16 -","- C52 H32 Cd2 N12 O16 -","1","0.5","WM5366","Hökelek, Tuncer; Akduran, Nurcan; Özen, Azer; Uğurlu, Güventürk; Necefoğlu, Hacali","Crystal structure of bis(μ-3-nitrobenzoato)-κ^3^<i>O</i>,<i>O</i>':<i>O</i>;κ^3^<i>O</i>:<i>O</i>,<i>O</i>'-bis[bis(3-cyanopyridine-κ<i>N</i>^1^)(3-nitrobenzoato-κ^2^<i>O</i>,<i>O</i>')cadmium]","Acta Crystallographica Section E","2017","73","3","413","416","10.1107/S2056989017002675","","","0.71073","MoKα","","0.0348","0.0293","","","0.0674","0.0722","","","","","","1.218","","","","has coordinates,has Fobs","192749","2020-10-21","18:00:00",""
"2242035","12.7972","0.0006","6.4445","0.0003","22.582","0.001","90","","98.247","0.004","90","","1843.11","0.15","100","2","100","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","Bis(μ~2~-<i>N</i>-methyl-<i>N</i>-phenyldithiocarbamato)-κ^3^<i>S</i>,<i>S</i>':<i>S</i>;κ^3^<i>S</i>:<i>S</i>,<i>S</i>'-bis[(<i>N</i>-methyl-<i>N</i>-phenyldithiocarbamato-κ^2^<i>S</i>,<i>S</i>')cadmium(II)]","","- C32 H32 Cd2 N4 S8 -","- C32 H32 Cd2 N4 S8 -","- C64 H64 Cd4 N8 S16 -","2","0.5","HB7659","Suwardi, Siti Aisyah Nabilah; Lee, See Mun; Lo, Kong Mun; Jotani, Mukesh M.; Tiekink, Edward R. T.","Bis(μ~2~-<i>N</i>-methyl-<i>N</i>-phenyldithiocarbamato)-κ^3^<i>S</i>,<i>S</i>':<i>S</i>;κ^3^<i>S</i>:<i>S</i>,<i>S</i>'-bis[(<i>N</i>-methyl-<i>N</i>-phenyldithiocarbamato-κ^2^<i>S</i>,<i>S</i>')cadmium]: crystal structure and Hirshfeld surface analysis","Acta Crystallographica Section E","2017","73","3","429","433","10.1107/S2056989017002705","","","0.71073","MoKα","","0.0582","0.0371","","","0.0728","0.0859","","","","","","1.045","","","","has coordinates,has Fobs","192750","2020-10-21","18:00:00",""
"2242036","8.6065","0.0008","12.1558","0.0012","23.82","0.002","90","","90","","90","","2492","0.4","293","2","293","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","β-Benzyl <i>DL</i>-aspartate <i>N</i>-carboxyanhydride","Benzyl 2-(2,5-dioxooxazolidin-4-yl)acetate","","- C12 H11 N O5 -","- C12 H11 N O5 -","- C96 H88 N8 O40 -","8","1","SU5349","Kanazawa, Hitoshi; Inada, Aya","Crystal structure of β-benzyl <small>DL</small>-aspartate <i>N</i>-carboxyanhydride","Acta Crystallographica Section E","2017","73","3","445","447","10.1107/S2056989017003024","","","0.71075","MoKα","","0.1083","0.0468","","","0.0974","0.1153","","","","","","0.981","","","","has coordinates,has Fobs","192751","2020-10-21","18:00:00",""
"2242037","8.3736","0.0004","11.7694","0.0005","15.5623","0.0008","90","","93.251","0.001","90","","1531.23","0.13","295","2","295","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","6,7-Dimethoxy-1-(4-nitrophenyl)quinolin-4(1<i>H</i>)-one","","- C17 H14 N2 O5 -","- C17 H14 N2 O5 -","- C68 H56 N8 O20 -","4","1","SU5354","Lien, Vegard Torp; Olberg, Dag Erlend; Klaveness, Jo; Görbitz, Carl Henrik","Crystal structure of 6,7-dimethoxy-1-(4-nitrophenyl)quinolin-4(1<i>H</i>)-one: a molecular scaffold for potential tubulin polymerization inhibitors","Acta Crystallographica Section E","2017","73","3","441","444","10.1107/S2056989017002948","","","0.71073","MoKα","","0.0684","0.047","","","0.1155","0.1272","","","","","","1.029","","","","has coordinates,has Fobs","192752","2020-10-21","18:00:00",""
"2242038","10.125","0.005","10.325","0.005","17.419","0.005","76.583","0.005","83.238","0.005","85.777","0.005","1756.9","1.3","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","(2,2'-Bipyridine-κ^2^<i>N</i>,<i>N</i>')bis(3,5-di-<i>tert</i>-butyl-<i>o</i>-benzoquinonato-κ^2^<i>O</i>,<i>O</i>')ruthenium(II)","","- C38 H48 N2 O4 Ru -","- C38 H48 N2 O4 Ru -","- C76 H96 N4 O8 Ru2 -","2","1","IS5467","Faizi, Md. Serajul Haque; Ali, Akram; Potaskalov, Vadim A.","Crystal structure of (2,2'-bipyridine-κ^2^<i>N</i>,<i>N</i>')bis(3,5-di-<i>tert</i>-butyl-<i>o</i>-benzoquinonato-κ^2^<i>O</i>,<i>O</i>')ruthenium(II)","Acta Crystallographica Section E","2017","73","3","459","462","10.1107/S205698901700281X","","","0.71073","MoKα","","0.0782","0.0505","","","0.1269","0.142","","","","","","1.021","","","","has coordinates,has Fobs","192753","2020-10-21","18:00:00",""
"2242039","6.9956","0.0005","8.8589","0.0006","12.0938","0.0009","93.98","0.006","106.603","0.007","102.133","0.006","695.46","0.09","100","2","100","2","","","","","","","","4","P -1","-P 1","2","","4,10-Dimethoxy-13-methyl-6<i>H</i>,12<i>H</i>-6,12-epiminodibenzo[<i>b</i>,<i>f</i>][1,5]dioxocine","","- C17 H17 N O4 -","- C17 H17 N O4 -","- C34 H34 N2 O8 -","2","1","HG5482","Kasyanova, Katerina V.; Kokozay, Vladimir N.; Buvaylo, Elena A.; Vassilyeva, Olga Yu.; Skelton, Brian W.","Crystal structure of 4,10-dimethoxy-13-methyl-6<i>H</i>,12<i>H</i>-6,12-epiminodibenzo[<i>b</i>,<i>f</i>][1,5]dioxocine","Acta Crystallographica Section E","2017","73","3","410","412","10.1107/S2056989017002328","","","1.54184","CuKα","","0.0459","0.0406","","","0.1139","0.1206","","","","","","1.065","","","","has coordinates,has Fobs","192754","2020-10-21","18:00:00",""
"2242040","6.9573","0.0006","23.465","0.002","8.3435","0.0007","90","","100.79","0.01","90","","1338","0.2","299","2","299","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","Bromo hydroxy seselin","<i>rac</i>-(9<i>S</i>,10<i>R</i>)-9-Bromo-10-hydroxy-8,8-dimethyl-9,10-dihydro-2<i>H</i>,8<i>H</i>-pyrano[2,3-<i>f</i>]chromen-2-one","","- C14 H13 Br O4 -","- C14 H13 Br O4 -","- C56 H52 Br4 O16 -","4","1","","Bauri, A. K.; Foro, Sabine; Rahman, A. F. M. Mustafizur","Crystal structure of a photobiologically active brominated angular pyranocoumarin: bromo-hydroxy-seselin","Acta Crystallographica Section E","2017","73","3","453","455","10.1107/S2056989017002808","","","0.71073","MoKα","","0.0733","0.0628","","","0.1932","0.2019","","","","","","1.124","","","","has coordinates,has Fobs","192755","2020-10-21","18:00:00",""
"2242041","22.8887","0.0014","13.883","0.0008","21.1396","0.0012","90","","90","","90","","6717.4","0.7","100","2","100","2","","","","","","","","6","P c a 21","P 2c -2ac","29","","<i>catena</i>-Poly[[di(bromido/chlorido)mercury(II)]-μ-2,2'-(5-<i>tert</i>-butyl-1,3-phenylene)bis(1-pentyl-1<i>H</i>-benzimidazole)-κ^2^<i>N</i>^3^:<i>N</i>^3'^]","","- C34 H42 Br1.52 Cl0.48 Hg N4 -","- C34 H42 Br1.515 Cl0.485 Hg N4 -","- C272 H336 Br12.12 Cl3.88 Hg8 N32 -","8","2","ZL2695","Rani, Varsha; Singh, Harkesh B.; Butcher, Ray J.","Structure of the mercury(II) mixed-halide (Br/Cl) complex of 2,2'-(5-<i>tert</i>-butyl-1,3-phenylene)bis(1-pentyl-1<i>H</i>-benzo[<i>d</i>]imidazole)","Acta Crystallographica Section E","2017","73","3","423","428","10.1107/S2056989017002183","","","1.54184","CuKα","","0.0315","0.0294","","","0.0665","0.0691","","","","","","1.137","","","","has coordinates,has disorder,has Fobs","192756","2020-10-21","18:00:00",""
"2242042","10.167","0.002","13.482","0.003","13.377","0.003","90","","100.838","0.019","90","","1800.9","0.7","293","2","293","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","<i>catena</i>-Poly[[silver(I)-μ-2,3,5,6-tetrakis[(methylsulfanyl)\ methyl]pyrazine] nitrate]","","- C12 H20 Ag N3 O3 S4 -","- C12 H20 Ag N3 O3 S4 -","- C48 H80 Ag4 N12 O12 S16 -","4","1","","Assoumatine, Tokouré; Stoeckli-Evans, Helen","Silver(I) nitrate complexes of three tetrakis-thioether-substituted pyrazine ligands: metal‒organic chain, network and framework structures","Acta Crystallographica Section E","2017","73","3","434","440","10.1107/S2056989017002791","","","0.71073","MoKα","","0.0649","0.0555","","","0.1486","0.1605","","","","","","1.089","","","","has coordinates,has disorder,has Fobs","192757","2020-10-21","18:00:00",""
"2242043","11.8437","0.0014","18.5674","0.0014","7.8444","0.0012","90","","96.856","0.011","90","","1712.7","0.4","293","2","293","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","Poly[di-μ-nitrato-bis{μ-2,3,5,6-tetrakis[(phenylsulfanyl)methyl]pyrazine}disilver]","","- C32 H28 Ag2 N4 O6 S4 -","- C32 H28 Ag2 N4 O6 S4 -","- C64 H56 Ag4 N8 O12 S8 -","2","0.5","","Assoumatine, Tokouré; Stoeckli-Evans, Helen","Silver(I) nitrate complexes of three tetrakis-thioether-substituted pyrazine ligands: metal‒organic chain, network and framework structures","Acta Crystallographica Section E","2017","73","3","434","440","10.1107/S2056989017002791","","","0.71073","MoKα","","0.0595","0.0445","","","0.0909","0.1","","","","","","1.159","","","","has coordinates,has Fobs","192757","2020-10-21","18:00:00",""
"2242044","13.6319","0.0009","16.2211","0.001","15.7201","0.0011","90","","96.607","0.008","90","","3453","0.4","223","2","223","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","Poly[[trinitrato{μ~6~-2,3,5,6-tetrakis[(pyridin-2-ylsulfanyl)methyl]pyrazine}trisilver(I)]","","- C28 H24 Ag3 N9 O9 S4 -","- C28 H24 Ag3 N9 O9 S4 -","- C112 H96 Ag12 N36 O36 S16 -","4","0.5","","Assoumatine, Tokouré; Stoeckli-Evans, Helen","Silver(I) nitrate complexes of three tetrakis-thioether-substituted pyrazine ligands: metal‒organic chain, network and framework structures","Acta Crystallographica Section E","2017","73","3","434","440","10.1107/S2056989017002791","","","0.71073","MoKα","","0.0735","0.0303","","","0.0468","0.0518","","","","","","0.755","","","","has coordinates,has Fobs","192757","2020-10-21","18:00:00",""
"2242045","4.8731","0.0003","6.2429","0.0004","8.013","0.0005","73.346","0.006","89.701","0.005","89.698","0.005","233.54","0.03","293","2","293","2","","","","","","","","4","P -1","-P 1","2","Lithium gallium borate","Trilithium gallium bis(orthoborate)","","- B2 Ga Li3 O6 -","- B2 Ga Li3 O6 -","- B4 Ga2 Li6 O12 -","2","1","WM5356","Smith, Robert W.; Holman, Darien; Villa, Eric M.","Crystal structure of Li~3~Ga(BO~3~)~2~","Acta Crystallographica Section E","2017","73","3","456","458","10.1107/S205698901700295X","","","0.71073","MoKα","","0.0326","0.0279","","","0.0641","0.0667","","","","","","1.09","","","","has coordinates,has Fobs","192758","2020-10-21","18:00:00",""
"2242046","19.8418","0.0014","8.2554","0.0006","28.454","0.002","90","","97.838","0.001","90","","4617.3","0.6","100","2","100","2","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","1,1,2,2-Tetraisopropyl-1,2-diphenyldisilane","","- C24 H38 Si2 -","- C24 H38 Si2 -","- C192 H304 Si16 -","8","2","SU5352","Pichaandi, Kothanda Rama; Mague, Joel T.; Fink, Mark J.","Crystal structures of three sterically congested disilanes","Acta Crystallographica Section E","2017","73","3","448","452","10.1107/S2056989017002602","","","0.71073","MoKα","","0.0471","0.0363","","","0.0886","0.0959","","","","","","1.033","","","","has coordinates,has Fobs","192759","2020-10-21","18:00:00",""
"2242047","8.8779","0.0007","10.4042","0.0008","29.699","0.002","90","","90.975","0.001","90","","2742.8","0.4","100","2","100","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","1,1,2,2-Tetrabromoisopropyl-1,2-diphenyldisilane","","- C24 H34 Br4 Si2 -","- C24 H34 Br4 Si2 -","- C96 H136 Br16 Si8 -","4","1","SU5352","Pichaandi, Kothanda Rama; Mague, Joel T.; Fink, Mark J.","Crystal structures of three sterically congested disilanes","Acta Crystallographica Section E","2017","73","3","448","452","10.1107/S2056989017002602","","","0.71073","MoKα","","0.0434","0.0283","","","0.0574","0.0623","","","","","","1.034","","","","has coordinates,has disorder,has Fobs","192759","2020-10-21","18:00:00",""
"2242048","8.5622","0.0005","10.2107","0.0006","15.4586","0.001","90","","95.452","0.001","90","","1345.37","0.14","100","2","100","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","1,2-Di-<i>tert</i>-butyl-1,1,2,2-tetraphenyldisilane","","- C32 H38 Si2 -","- C32 H38 Si2 -","- C64 H76 Si4 -","2","0.5","SU5352","Pichaandi, Kothanda Rama; Mague, Joel T.; Fink, Mark J.","Crystal structures of three sterically congested disilanes","Acta Crystallographica Section E","2017","73","3","448","452","10.1107/S2056989017002602","","","0.71073","MoKα","","0.0418","0.0344","","","0.0875","0.092","","","","","","1.063","","","","has coordinates,has disorder,has Fobs","192759","2020-10-21","18:00:00",""
"2242049","26.2427","0.0004","26.2427","0.0004","15.1639","0.0003","90","","90","","90","","10443.1","0.3","100","2","100","2","","","","","","","","6","P 4 21 2","P 4ab 2ab","90","","<i>N</i>-{4-(3-Chloro-4-fluoroanilino)-7-[(tetrahydrofuran-3-yl)oxy]quinazolin-6-yl}-4-(dimethylamino)but-2-enamide‒acetonitrile‒water (2/1/8)","","- C49 H59.5 Cl2 F2 N10.5 O10 -","- C49 H59.5 Cl2 F2 N10.5 O10 -","- C392 H476 Cl16 F16 N84 O80 -","8","1","SU5351","Zeller, Matthias; de Araujo, Gabriel Lima Barros; Parker, Trev; Singh Rai, Amrinder; Byrn, Stephen R.","A new solvate of afatinib, a specific inhibitor of the ErbB family of tyrosine kinases","Acta Crystallographica Section E","2017","73","3","417","422","10.1107/S2056989017002626","","","1.54178","CuKα","","0.0749","0.0492","","","0.1072","0.1216","","","","","","1.028","","","","has coordinates,has disorder,has Fobs","192760","2020-10-21","18:00:00",""
"2242050","6.737","0.002","10.773","0.003","13.574","0.003","90","","90","","90","","985.2","0.5","298","2","298","2","","","","","","","","5","I b m m","-I 2c 2c","74","","Potassium nickel diiron(III) tris[arsenate(V)]","","- As3 Fe2 K1.25 Ni0.88 O12 -","- As3 Fe2 K1.25 Ni0.875 O12 -","- As12 Fe8 K5 Ni3.5 O48 -","4","0.25","VN2121","Ben Smail, Ridha; Zid, Mohamed Faouzi","K~1+2<i>x~</i>Ni~1{-~<i>x</i>}Fe~2~(AsO~4~)~3~ (<i>x</i> = 0,125): un nouvel arséniate à structure de type α-CrPO~4~","Acta Crystallographica Section E","2017","73","2","239","245","10.1107/S2056989017000950","","","0.71073","MoKα","","0.0308","0.0284","","","0.0872","0.0888","","","","","","1.102","","","","has coordinates,has Fobs","193925","2020-10-21","18:00:00",""
"2242051","7.1021","0.0004","18.0761","0.0008","10.8809","0.0007","90","","108.877","0.007","90","","1321.74","0.14","148","2","148","2","","","","","","","","6","P 1 21/m 1","-P 2yb","11","","Di-<i>n</i>-butylbis[<i>N</i>-(2-methoxyethyl)-<i>N</i>-methyldithiocarbamato-κ^2^<i>S</i>,<i>S</i>']tin(IV)","","- C18 H38 N2 O2 S4 Sn -","- C18 H38 N2 O2 S4 Sn -","- C36 H76 N4 O4 S8 Sn2 -","2","0.5","HB7654","Mohamad, Rapidah; Awang, Normah; Kamaludin, Nurul F.; Jotani, Mukesh M.; Tiekink, Edward R. T.","Di-<i>n</i>-butylbis[<i>N</i>-(2-methoxyethyl)-<i>N</i>-methyldithiocarbamato-κ^2^<i>S</i>,<i>S</i>']tin(IV): crystal structure and Hirshfeld surface analysis","Acta Crystallographica Section E","2017","73","2","260","265","10.1107/S2056989017001098","","","0.71073","MoKα","","0.032","0.0272","","","0.0688","0.0717","","","","","","1.118","","","","has coordinates,has disorder,has Fobs","193926","2020-10-21","18:00:00",""
"2242052","25.1895","0.0016","6.9411","0.0004","8.9697","0.0006","90","","90.943","0.004","90","","1568.08","0.17","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","2-[(4,6-Diaminopyrimidin-2-yl)sulfanyl]-<i>N</i>-(naphthalen-1-yl)acetamide","","- C16 H15 N5 O S -","- C16 H15 N5 O S -","- C64 H60 N20 O4 S4 -","4","1","SU5347","Subasri, S.; Kumar, Timiri Ajay; Sinha, Barij Nayan; Jayaprakash, Venkatesan; Viswanathan, Vijayan; Velmurugan, Devadasan","Crystal structures of 2-[(4,6-diaminopyrimidin-2-yl)sulfanyl]-<i>N</i>-(naphthalen-1-yl)acetamide and 2-[(4,6-diaminopyrimidin-2-yl)sulfanyl]-<i>N</i>-(4-fluorophenyl)acetamide","Acta Crystallographica Section E","2017","73","2","306","309","10.1107/S2056989017001293","","","0.71073","MoKα","","0.1137","0.0515","","","0.1198","0.1533","","","","","","0.983","","","","has coordinates,has Fobs","193927","2020-10-21","18:00:00",""
"2242053","21.7358","0.0007","7.3726","0.0003","8.4487","0.0003","90","","93.092","0.001","90","","1351.93","0.09","293","2","293","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","2-[(4,6-Diaminopyrimidin-2-yl)sulfanyl]-<i>N</i>-(4-fluorophenyl)acetamide","","- C12 H12 F N5 O S -","- C12 H12 F N5 O S -","- C48 H48 F4 N20 O4 S4 -","4","1","SU5347","Subasri, S.; Kumar, Timiri Ajay; Sinha, Barij Nayan; Jayaprakash, Venkatesan; Viswanathan, Vijayan; Velmurugan, Devadasan","Crystal structures of 2-[(4,6-diaminopyrimidin-2-yl)sulfanyl]-<i>N</i>-(naphthalen-1-yl)acetamide and 2-[(4,6-diaminopyrimidin-2-yl)sulfanyl]-<i>N</i>-(4-fluorophenyl)acetamide","Acta Crystallographica Section E","2017","73","2","306","309","10.1107/S2056989017001293","","","0.71073","MoKα","","0.0443","0.0371","","","0.1026","0.1094","","","","","","1.054","","","","has coordinates,has Fobs","193927","2020-10-21","18:00:00",""
"2242054","12.8756","0.0008","13.3719","0.0008","15.9033","0.001","90","","90","","90","","2738.1","0.3","100","0.5","100","0.5","","","","","","","","4","P b c a","-P 2ac 2ab","61","IrCl(1,5-cod)~2~","Chloridobis[(1,2,5,6-η)-cycloocta-1,5-diene]iridium(I)","","- C16 H24 Cl Ir -","- C16 H24 Cl Ir -","- C128 H192 Cl8 Ir8 -","8","1","WM5359","Rahman, A. K. Fazlur; Wilklow-Marnell, Miles; Brennessel, William W.; Jones, William D.","Crystal structure of chloridobis[(1,2,5,6-η)-cycloocta-1,5-diene]iridium(I)","Acta Crystallographica Section E","2017","73","2","273","277","10.1107/S2056989017000809","","","0.71073","MoKα","","0.0619","0.0347","","","0.0642","0.0721","","","","","","1.005","","","","has coordinates,has Fobs","193928","2020-10-21","18:00:00",""
"2242055","11.639","0.003","9.224","0.002","11.423","0.003","90","","105.211","0.003","90","","1183.4","0.5","298","2","298","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","Piperazine-1,4-dium bis(di-μ-chlorido-bis[(4-carboxypyridine-2-carboxylato-κ^2^<i>N</i>,<i>O</i>^2^)chloridocuprate(II)]","","- C18 H20 Cl4 Cu2 N4 O8 -","- C18 H20 Cl4 Cu2 N4 O8 -","- C36 H40 Cl8 Cu4 N8 O16 -","2","0.5","WM5354","Inah, Bassey Enyi; Ayi, Ayi Anyama; Adhikary, Amit","Crystal structure of a chloride-bridged copper(II) dimer: piperazine-1,4-dium bis(di-μ-chlorido-bis[(4-carboxypyridine-2-carboxylato-κ^2^<i>N</i>,<i>O</i>^2^)chloridocuprate(II)]","Acta Crystallographica Section E","2017","73","2","246","249","10.1107/S2056989017001013","","","0.71073","MoKα","","0.0522","0.0394","","","0.1125","0.1265","","","","","","0.861","","","","has coordinates,has Fobs","193929","2020-10-21","18:00:00",""
"2242056","8.2468","0.0003","9.8783","0.0004","15.1039","0.0006","96.144","0.002","105.172","0.002","95.75","0.002","1170.14","0.08","173","2","173","2","","","","","","","","5","P -1","-P 1","2","","Dimethyl 2-((2<i>Z</i>,5<i>Z</i>)-5-(2-methoxy-2-oxoethylidene)-2-{(<i>E</i>)-[2-methyl-5-(prop-1-en-2-yl)cyclohex-2-enylidene]hydrazinylidene}-4-oxothiazolidin-3-yl)fumarate","","- C22 H25 N3 O7 S -","- C22 H25 N3 O7 S -","- C44 H50 N6 O14 S2 -","2","1","XU5897","N'ait Ousidi, Abdellah; Ait Itto, My Youssef; Auhmani, Aziz; Riahi, Abdelkhalek; Auhmani, Abdelwahed; Daran, Jean-Claude","Crystal structure of dimethyl 2-((2<i>Z</i>,5<i>Z</i>)-5-(2-methoxy-2-oxoethylidene)-2-{(<i>E</i>)-[2-methyl-5-(prop-1-en-2-yl)cyclohex-2-enylidene]hydrazinylidene}-4-oxothiazolidin-3-yl)fumarate","Acta Crystallographica Section E","2017","73","2","296","299","10.1107/S2056989017001190","","","0.71073","MoKα","","0.0657","0.0551","","","0.1193","0.1233","","","","","","1.223","","","","has coordinates,has disorder,has Fobs","193930","2020-10-21","18:00:00",""
"2242057","16.0754","0.0019","11.8602","0.001","18.495","0.002","90","","115.503","0.013","90","","3182.6","0.7","153","2","153","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","<i>N</i>^2^,<i>N</i>^3^,<i>N</i>^5^,<i>N</i>^6^-Tetrakis(pyridin-2-ylmethyl)pyrazine-2,3,5,6-tetracarboxamide","","- C32 H28 N10 O4 -","- C32 H28 N10 O4 -","- C128 H112 N40 O16 -","4","1","","Cati, Dilovan S.; Stoeckli-Evans, Helen","Crystal structures of <i>N</i>^2^,<i>N</i>^3^,<i>N</i>^5^,<i>N</i>^6^-tetrakis(pyridin-2-ylmethyl)pyrazine-2,3,5,6-tetracarboxamide and <i>N</i>^2^,<i>N</i>^3^,<i>N</i>^5^,<i>N</i>^6^-tetrakis(pyridin-4-ylmethyl)pyrazine-2,3,5,6-tetracarboxamide","Acta Crystallographica Section E","2017","73","2","300","305","10.1107/S205698901700127X","","","0.71073","MoKα","","0.1633","0.0543","","","0.1032","0.1289","","","","","","0.719","","","","has coordinates,has Fobs","193931","2020-10-21","18:00:00",""
"2242058","9.8592","0.0006","10.6511","0.0006","14.8089","0.0009","90","","102.306","0.007","90","","1519.37","0.16","153","2","153","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","<i>N</i>^2^,<i>N</i>^3^,<i>N</i>^5^,<i>N</i>^6^-Tetrakis(pyridin-4-ylmethyl)pyrazine-2,3,5,6-tetracarboxamide","","- C32 H28 N10 O4 -","- C32 H28 N10 O4 -","- C64 H56 N20 O8 -","2","0.5","","Cati, Dilovan S.; Stoeckli-Evans, Helen","Crystal structures of <i>N</i>^2^,<i>N</i>^3^,<i>N</i>^5^,<i>N</i>^6^-tetrakis(pyridin-2-ylmethyl)pyrazine-2,3,5,6-tetracarboxamide and <i>N</i>^2^,<i>N</i>^3^,<i>N</i>^5^,<i>N</i>^6^-tetrakis(pyridin-4-ylmethyl)pyrazine-2,3,5,6-tetracarboxamide","Acta Crystallographica Section E","2017","73","2","300","305","10.1107/S205698901700127X","","","0.71073","MoKα","","0.0846","0.0508","","","0.1219","0.1338","","","","","","0.889","","","","has coordinates,has disorder,has Fobs","193931","2020-10-21","18:00:00",""
"2242059","11.0318","0.0013","10.4108","0.0013","7.1659","0.0008","90","","96.734","0.01","90","","817.32","0.17","123","2","123","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","Ethyl 4-nitro-1<i>H</i>-pyrrole-2-carboxylate","","- C7 H8 N2 O4 -","- C7 H8 N2 O4 -","- C28 H32 N8 O16 -","4","1","SU5346","Kennedy, Alan R.; Khalaf, Abedawn I.; Scott, Fraser J.; Suckling, Colin J.","Four pyrrole derivatives used as building blocks in the synthesis of minor-groove binders","Acta Crystallographica Section E","2017","73","2","254","259","10.1107/S2056989017001177","","","0.71073","MoKα","","0.0928","0.0733","","","0.1946","0.2098","","","","","","1.169","","","","has coordinates,has Fobs","193932","2020-10-21","18:00:00",""
"2242060","7.8839","0.0004","16.1443","0.0007","10.2058","0.0005","90","","104.472","0.005","90","","1257.78","0.11","123","2","123","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","Ethyl 4-nitro-1-(4-pentynyl)-1<i>H</i>-pyrrole-2-carboxylate","","- C12 H14 N2 O4 -","- C12 H14 N2 O4 -","- C48 H56 N8 O16 -","4","1","SU5346","Kennedy, Alan R.; Khalaf, Abedawn I.; Scott, Fraser J.; Suckling, Colin J.","Four pyrrole derivatives used as building blocks in the synthesis of minor-groove binders","Acta Crystallographica Section E","2017","73","2","254","259","10.1107/S2056989017001177","","","0.71073","MoKα","","0.0588","0.0413","","","0.0885","0.0995","","","","","","1.031","","","","has coordinates,has Fobs","193932","2020-10-21","18:00:00",""
"2242061","17.5744","0.0007","11.3718","0.0006","8.7299","0.0004","90","","92.076","0.004","90","","1743.55","0.14","123","2","123","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","<i>N</i>-[3-(Dimethylamino)propyl]-1-isopentyl-4-nitro-1<i>H</i>-pyrrole-2-carboxamide","","- C15 H26 N4 O3 -","- C15 H26 N4 O3 -","- C60 H104 N16 O12 -","4","1","SU5346","Kennedy, Alan R.; Khalaf, Abedawn I.; Scott, Fraser J.; Suckling, Colin J.","Four pyrrole derivatives used as building blocks in the synthesis of minor-groove binders","Acta Crystallographica Section E","2017","73","2","254","259","10.1107/S2056989017001177","","","0.71073","MoKα","","0.0778","0.0531","","","0.1266","0.1447","","","","","","1.026","","","","has coordinates,has Fobs","193932","2020-10-21","18:00:00",""
"2242062","11.2809","0.0004","16.4528","0.0006","12.513","0.0005","90","","106.542","0.004","90","","2226.32","0.15","123","2","123","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","1-(3-Azidopropyl)-4-(1-methyl-4-nitro-1<i>H</i>-pyrrole-2-carboxamido)-<i>N</i>-[2-(morpholin-4-yl)ethyl]-1<i>H</i>-pyrrole-2-carboxamide","","- C20 H27 N9 O5 -","- C20 H27 N9 O5 -","- C80 H108 N36 O20 -","4","1","SU5346","Kennedy, Alan R.; Khalaf, Abedawn I.; Scott, Fraser J.; Suckling, Colin J.","Four pyrrole derivatives used as building blocks in the synthesis of minor-groove binders","Acta Crystallographica Section E","2017","73","2","254","259","10.1107/S2056989017001177","","","0.71073","MoKα","","0.0882","0.0494","","","0.109","0.1282","","","","","","1.027","","","","has coordinates,has Fobs","193932","2020-10-21","18:00:00",""
"2242063","16.565","0.003","18.474","0.004","14.606","0.003","90","","90","","90","","4469.8","1.6","299","2","299","2","","","","","","","","6","P b c n","-P 2n 2ab","60","","μ~6~-Chlorido-nonakis(μ-4-chloropyrazolato)bis-μ~3~-methoxo-hexacopper(II)","","- C29 H24 Cl10 Cu6 N18 O2 -","- C29 H24 Cl10 Cu6 N18 O2 -","- C116 H96 Cl40 Cu24 N72 O8 -","4","0.5","WM5353","Shi, Kaige; Mathivathanan, Logesh; Raptis, Raphael G.","Crystal structure of μ~6~-chlorido-nonakis(μ-4-chloropyrazolato)bis-μ~3~-methoxo-hexacopper(II)","Acta Crystallographica Section E","2017","73","2","266","269","10.1107/S2056989017001189","","","0.71073","MoKα","","0.0533","0.041","","","0.1096","0.119","","","","","","1.078","","","","has coordinates,has Fobs","193933","2020-10-21","18:00:00",""
"2242064","8.925","0.0011","9.7342","0.0012","10.0844","0.0012","66.438","0.005","75.636","0.005","63.585","0.005","716.58","0.16","100","2","100","2","","","","","","","","6","P -1","-P 1","2","","<i>trans</i>-Bis[μ-2-(1,3-benzothiazol-2-yl)phenolato]-κ^3^<i>N</i>,<i>O</i>:<i>O</i>;κ^3^<i>O</i>:<i>N</i>,<i>O</i>-bis[<i>fac</i>-tricarbonylrhenium(I)]","","- C32 H16 N2 O8 Re2 S2 -","- C32 H16 N2 O8 Re2 S2 -","- C32 H16 N2 O8 Re2 S2 -","1","0.5","RZ5204","Priyatharsini, Maruthupandiyan; Shankar, Bhaskaran; Sathiyendiran, Malaichamy; Srinivasan, Navaneethakrishnan; Krishnakumar, Rajaputi Venkatraman","Crystal structure of the <i>cis</i> and <i>trans</i> polymorphs of bis[μ-2-(1,3-benzothiazol-2-yl)phenolato]-κ^3^<i>N</i>,<i>O</i>:<i>O</i>;κ^3^<i>O</i>:<i>N</i>,<i>O</i>-bis[<i>fac</i>-tricarbonylrhenium(I)]","Acta Crystallographica Section E","2017","73","2","310","313","10.1107/S2056989017001347","","","0.71073","MoKα","","0.0393","0.0355","","","0.0858","0.0876","","","","","","1.075","","","","has coordinates,has Fobs","193934","2020-10-21","18:00:00",""
"2242065","16.148","0.0007","11.6519","0.0005","15.6329","0.0008","90","","90","","90","","2941.4","0.2","296","2","296","2","","","","","","","","6","P b c n","-P 2n 2ab","60","","<i>cis</i>-Bis[μ-2-(1,3-benzothiazol-2-yl)phenolato]-κ^3^<i>N</i>,<i>O</i>:<i>O</i>;κ^3^<i>O</i>:<i>N</i>,<i>O</i>-bis[<i>fac</i>-tricarbonylrhenium(I)]","","- C32 H16 N2 O8 Re2 S2 -","- C32 H16 N2 O8 Re2 S2 -","- C128 H64 N8 O32 Re8 S8 -","4","0.5","","Priyatharsini, Maruthupandiyan; Shankar, Bhaskaran; Sathiyendiran, Malaichamy; Srinivasan, Navaneethakrishnan; Krishnakumar, Rajaputi Venkatraman","Crystal structure of the <i>cis</i> and <i>trans</i> polymorphs of bis[μ-2-(1,3-benzothiazol-2-yl)phenolato]-κ^3^<i>N</i>,<i>O</i>:<i>O</i>;κ^3^<i>O</i>:<i>N</i>,<i>O</i>-bis[<i>fac</i>-tricarbonylrhenium(I)]","Acta Crystallographica Section E","2017","73","2","310","313","10.1107/S2056989017001347","","","0.71073","MoKα","","0.0358","0.0269","","","0.0569","0.0601","","","","","","1.071","","","","has coordinates,has Fobs","193934","2020-10-21","18:00:00",""
"2242066","20.1864","0.0013","10.2997","0.0006","23.832","0.002","90","","108.004","0.003","90","","4712.4","0.6","100","2","100","2","","","","","","","","5","I 1 2/a 1","-I 2ya","15","","Dinitratobis[1,1,1-tris(hydroxymethyl)propane]terbium(III) nitrate dimethoxyethane hemisolvate","","- C14 H33 N3 O16 Tb -","- C14 H33 N3 O16 Tb -","- C112 H264 N24 O128 Tb8 -","8","1","HB7653","Gregório, Thaiane; Giese, Siddhartha O. K.; Nunes, Giovana G.; Soares, Jaísa F.; Hughes, David L.","Crystal structures of two mononuclear complexes of terbium(III) nitrate with the tripodal alcohol 1,1,1-tris(hydroxymethyl)propane","Acta Crystallographica Section E","2017","73","2","278","285","10.1107/S2056989017001116","","","0.71073","MoKα","","0.029","0.0182","","","0.0341","0.0358","","","","","","1.066","","","","has coordinates,has disorder,has Fobs","193935","2020-10-21","18:00:00",""
"2242067","9.144","0.0006","12.787","0.0007","19.7151","0.0012","90","","101.796","0.002","90","","2256.5","0.2","100","2","100","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","Aquanitratobis[1,1,1-tris(hydroxymethyl)propane]terbium(III) dinitrate","","- C12 H30 N3 O16 Tb -","- C12 H30 N3 O16 Tb -","- C48 H120 N12 O64 Tb4 -","4","1","HB7653","Gregório, Thaiane; Giese, Siddhartha O. K.; Nunes, Giovana G.; Soares, Jaísa F.; Hughes, David L.","Crystal structures of two mononuclear complexes of terbium(III) nitrate with the tripodal alcohol 1,1,1-tris(hydroxymethyl)propane","Acta Crystallographica Section E","2017","73","2","278","285","10.1107/S2056989017001116","","","0.71073","MoKα","","0.0123","0.012","","","0.0292","0.0294","","","","","","1.127","","","","has coordinates,has disorder,has Fobs","193935","2020-10-21","18:00:00",""
"2242068","8.4125","0.0016","14.492","0.003","7.4679","0.0014","90","","116.053","0.004","90","","817.9","0.3","243","2","243.15","","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","poly[bis(mu2-dicyanoargentato(I))bis(dimethylsulfoxide)iron(II)]","Poly[tetra-μ~2~-cyanido-1:2κ^8^<i>N</i>:<i>C</i>-bis(dimethyl sulfoxide-1κ<i>O</i>)diargentate(I)iron(II)]","","- C8 H12 Ag2 Fe N4 O2 S2 -","- C8 H12 Ag2 Fe N4 O2 S2 -","- C16 H24 Ag4 Fe2 N8 O4 S4 -","2","0.5","XU5899","Kucheriv, Olesia I.; Naumova, Dina D.; Tokmenko, Inna I.; Polunin, Ruslan A.; Terebilenko, Kateryna V.","Crystal structure of poly[tetra-μ~2~-cyanido-1:2κ^8^<i>N</i>:<i>C</i>-bis(dimethyl sulfoxide-1κ<i>O</i>)diargentate(I)iron(II)]","Acta Crystallographica Section E","2017","73","2","270","272","10.1107/S2056989017001049","","","0.71073","MoKα","","0.0404","0.0312","","","0.0614","0.0708","","","","","","1.162","","","","has coordinates,has Fobs","193936","2020-10-21","18:00:00",""
"2242069","5.7442","0.0001","7.5022","0.0001","14.6644","0.0002","91.496","0.001","95.517","0.001","102.371","0.001","613.708","0.016","100","2","100","","","","","","","","","6","P -1","-P 1","2","","<i>fac</i>-Acetonitriletricarbonyl(dimethylcarbamodithioato-κ^2^<i>S</i>,<i>S</i>')rhenium(I)","","- C8 H9 N2 O3 Re S2 -","- C8 H9 N2 O3 Re S2 -","- C16 H18 N4 O6 Re2 S4 -","2","1","HB7651","Tan, Sang Loon; Lee, See Mun; Heard, Peter J.; Halcovitch, Nathan R.; Tiekink, Edward R. T.","<i>fac</i>-Acetonitriletricarbonyl(dimethylcarbamodithioato-κ^2^<i>S</i>,<i>S</i>')rhenium(I): crystal structure and Hirshfeld surface analysis","Acta Crystallographica Section E","2017","73","2","213","218","10.1107/S2056989017000755","","","0.71073","MoKα","","0.0165","0.0155","","","0.0349","0.0352","","","","","","1.087","","","","has coordinates,has Fobs","193937","2020-10-21","18:00:00",""
"2242070","11.1342","0.0002","10.233","0.0002","23.399","0.0005","90","","102.724","0.001","90","","2600.52","0.09","123","2","123","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","1-Tetralone 4-ethylthiosemicarbazone","<i>N</i>-Ethyl-2-(1,2,3,4-tetrahydronaphthalen-1-ylidene)hydrazinecarbothioamide","","- C13 H17 N3 S -","- C13 H17 N3 S -","- C104 H136 N24 S8 -","8","2","","de Oliveira, Adriano Bof; Beck, Johannes; Landvogt, Christian; de Farias, Renan Lira; Feitoza, Bárbara Regina Santos","Crystal structure of <i>N</i>-ethyl-2-(1,2,3,4-tetrahydronaphthalen-1-ylidene)hydrazinecarbothioamide","Acta Crystallographica Section E","2017","73","2","291","295","10.1107/S2056989017001311","","","0.71073","MoKα","","0.0627","0.0437","","","0.1069","0.1164","","","","","","1.022","","","","has coordinates,has disorder,has Fobs","193938","2020-10-21","18:00:00",""
"2242071","6.2405","0.0004","9.9975","0.0006","20.7815","0.0013","90","","93.097","0.002","90","","1294.65","0.14","120","2","120","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","Chalcone-Thiophene","(2<i>E</i>)-3-[4-(Dimethylamino)phenyl]-1-(thiophen-2-yl)prop-2-en-1-one","","- C15 H15 N O S -","- C15 H15 N O S -","- C60 H60 N4 O4 S4 -","4","1","RZ5205","de Oliveira, Gabriela Porto; Bresolin, Leandro; Flores, Darlene Correia; de Farias, Renan Lira; de Oliveira, Adriano Bof","Crystal structure of (2<i>E</i>)-3-[4-(dimethylamino)phenyl]-1-(thiophen-2-yl)prop-2-en-1-one","Acta Crystallographica Section E","2017","73","4","476","480","10.1107/S2056989017003437","","","0.71073","MoKα","","0.0735","0.0676","","","0.1788","0.1823","","","","","","1.141","","","","has coordinates,has Fobs","194088","2020-10-21","18:00:00",""
"2242072","18.2743","0.0012","7.4835","0.0005","19.8021","0.0012","90","","90","","90","","2708.1","0.3","293","2","293","2","","","","","","","","6","P b c a","-P 2ac 2ab","61","","<i>N</i>-(4-Chlorophenyl)-2-[(4,6-diaminopyrimidin-2-yl)sulfanyl]acetamide","","- C12 H12 Cl N5 O S -","- C12 H12 Cl N5 O S -","- C96 H96 Cl8 N40 O8 S8 -","8","1","SU5348","Subasri, S.; Kumar, Timiri Ajay; Sinha, Barij Nayan; Jayaprakash, Venkatesan; Viswanathan, Vijayan; Velmurugan, Devadasan","Crystal structures of <i>N</i>-(4-chlorophenyl)-2-[(4,6-diaminopyrimidin-2-yl)sulfanyl]acetamide and <i>N</i>-(3-chlorophenyl)-2-[(4,6-diaminopyrimidin-2-yl)sulfanyl]acetamide","Acta Crystallographica Section E","2017","73","4","467","471","10.1107/S2056989017003243","","","0.71073","MoKα","","0.0971","0.0502","","","0.1341","0.161","","","","","","1.081","","","","has coordinates,has Fobs","194090","2020-10-21","18:00:00",""
"2242073","18.22","0.002","8.118","0.0012","19.628","0.002","90","","108.761","0.008","90","","2748.9","0.6","293","2","293","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","<i>N</i>-(3-Chlorophenyl)-2-[(4,6-diaminopyrimidin-2-yl)sulfanyl]acetamide","","- C12 H12 Cl N5 O S -","- C12 H12 Cl N5 O S -","- C96 H96 Cl8 N40 O8 S8 -","8","2","SU5348","Subasri, S.; Kumar, Timiri Ajay; Sinha, Barij Nayan; Jayaprakash, Venkatesan; Viswanathan, Vijayan; Velmurugan, Devadasan","Crystal structures of <i>N</i>-(4-chlorophenyl)-2-[(4,6-diaminopyrimidin-2-yl)sulfanyl]acetamide and <i>N</i>-(3-chlorophenyl)-2-[(4,6-diaminopyrimidin-2-yl)sulfanyl]acetamide","Acta Crystallographica Section E","2017","73","4","467","471","10.1107/S2056989017003243","","","0.71073","MoKα","","0.122","0.0499","","","0.1204","0.1549","","","","","","0.958","","","","has coordinates,has Fobs","194090","2020-10-21","18:00:00",""
"2242074","6.64","0.0005","10.8089","0.0009","12.8818","0.001","103.43","0.007","98.467","0.007","91.912","0.007","887.26","0.13","100","2","100","","","","","","","","","4","P -1","-P 1","2","Tricyclohexylphosphane sulfide","Tricyclohexyl-λ^5^-phosphanethione","","- C18 H33 P S -","- C18 H33 P S -","- C36 H66 P2 S2 -","2","1","HB7665","Tan, Yi Jiun; Yeo, Chien Ing; Halcovitch, Nathan R.; Jotani, Mukesh M.; Tiekink, Edward R. T.","A triclinic polymorph of tricyclohexylphosphane sulfide: crystal structure and Hirshfeld surface analysis","Acta Crystallographica Section E","2017","73","4","493","499","10.1107/S205698901700353X","","","0.71073","MoKα","","0.0418","0.0367","","","0.0929","0.0969","","","","","","1.009","","","","has coordinates,has Fobs","194185","2020-10-21","18:00:00",""
"2242075","7.5177","0.0004","9.8339","0.0006","12.1951","0.0007","94.387","0.001","94.552","0.001","91.578","0.001","895.57","0.09","120","2","120","2","","","","","","","","4","P -1","-P 1","2","","2-Methyl-<i>N</i>-[(5-phenylfuran-2-yl)methyl]propan-2-aminium (2<i>Z</i>)-3-carboxyacrylate","","- C19 H23 N O5 -","- C19 H23 N O5 -","- C38 H46 N2 O10 -","2","1","HB7663","Kvyatkovskaya, Elisaveta A.; Zaytsev, Vladimir P.; Zubkov, Fedor I.; Dorovatovskii, Pavel V.; Zubavichus, Yan V.; Khrustalev, Victor N.","Interaction between maleic acid and <i>N</i>-<i>R</i>-furfurylamines: crystal structure of 2-methyl-<i>N</i>-[(5-phenylfuran-2-yl)methyl]propan-2-aminium (2<i>Z</i>)-3-carboxyacrylate and <i>N</i>-[(5-iodofuran-2-yl)methyl]-2-methylpropan-2-aminium (2<i>Z</i>)-3-carboxyprop-2-enoate","Acta Crystallographica Section E","2017","73","4","515","519","10.1107/S2056989017003541","","","0.71073","MoKα","","0.1013","0.053","","","0.1044","0.1215","","","","","","1.004","","","","has coordinates,has Fobs","194252","2020-10-21","18:00:00",""
"2242076","5.7501","0.0012","28.272","0.006","9.6402","0.0019","90","","93.17","0.03","90","","1564.8","0.6","100","2","100","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","<i>N</i>-[(5-Iodofuran-2-yl)methyl]-2-methylpropan-2-aminium (2<i>Z</i>)-3-carboxyprop-2-enoate","","- C13 H18 I N O5 -","- C13 H18 I N O5 -","- C52 H72 I4 N4 O20 -","4","1","HB7663","Kvyatkovskaya, Elisaveta A.; Zaytsev, Vladimir P.; Zubkov, Fedor I.; Dorovatovskii, Pavel V.; Zubavichus, Yan V.; Khrustalev, Victor N.","Interaction between maleic acid and <i>N</i>-<i>R</i>-furfurylamines: crystal structure of 2-methyl-<i>N</i>-[(5-phenylfuran-2-yl)methyl]propan-2-aminium (2<i>Z</i>)-3-carboxyacrylate and <i>N</i>-[(5-iodofuran-2-yl)methyl]-2-methylpropan-2-aminium (2<i>Z</i>)-3-carboxyprop-2-enoate","Acta Crystallographica Section E","2017","73","4","515","519","10.1107/S2056989017003541","","","0.9699","synchrotron","","0.0469","0.04","","","0.0942","0.0998","","","","","","1.019","","","","has coordinates,has Fobs","194252","2020-10-21","18:00:00",""
"2242077","3.871","0.001","6.553","0.001","15.292","0.001","92.773","0.003","94.656","0.003","99.627","0.002","380.42","0.12","293","2","293","2","","","","","","","","5","P -1","-P 1","2","Pigment Red 254","3,6-Bis(4-chlorophenyl)-2,5-dihydropyrrolo[3,4-<i>c</i>]pyrrole-1,4-dione","","- C18 H10 Cl2 N2 O2 -","- C18 H10 Cl2 N2 O2 -","- C18 H10 Cl2 N2 O2 -","1","0.5","LH5832","Ivashevskaya, Svetlana N.","Crystal structure of Pigment Red 254 from X-ray powder diffraction data","Acta Crystallographica Section E","2017","73","4","507","510","10.1107/S2056989017003309","powder diffraction","","1.54056","CuKα~1~","","","","","","","","","","1.149","","","","","","","has coordinates,has Fobs","194253","2020-10-21","18:00:00",""
"2242078","7.7529","0.0003","12.0281","0.0004","13.8043","0.0005","90","","97","0.002","90","","1277.69","0.08","100.02","","100.02","","","","","","","","","4","P 1 21/n 1","-P 2yn","14","tricaesium citrate monohydrate","Tricaesium citrate monohydrate","","- C6 H7 Cs3 O8 -","- C6 H7 Cs3 O8 -","- C24 H28 Cs12 O32 -","4","1","VN2126","Rammohan, Alagappa; Sarjeant, Amy A.; Kaduk, James A.","Tricaesium citrate monohydrate, Cs~3~C~6~H~5~O~7~·H~2~O: crystal structure and DFT comparison","Acta Crystallographica Section E","2017","73","4","520","523","10.1107/S205698901700367X","","","0.71073","MoKα","","0.0283","0.0243","","","0.046","0.0471","","","","","","1.16","","","","has coordinates,has Fobs","194254","2020-10-21","18:00:00",""
"2242079","7.7529","","12.0281","","13.8043","","90","","97","","90","","1277.69","","100","","100","","","","","","","","","4","P 1 21/n 1","-P 2yn","14","Tricaesium citrate monohydrate","Tricaesium citrate monohydrate","","- C6 H7 Cs3 O8 -","- C6 H7 Cs3 O8 -","- C24 H28 Cs12 O32 -","4","1","VN2126","Rammohan, Alagappa; Sarjeant, Amy A.; Kaduk, James A.","Tricaesium citrate monohydrate, Cs~3~C~6~H~5~O~7~·H~2~O: crystal structure and DFT comparison","Acta Crystallographica Section E","2017","73","4","520","523","10.1107/S205698901700367X","","","1.54184","DFTcalculation","","","","","","","","","","","","","","","","","has coordinates","194254","2020-10-21","18:00:00",""
"2242080","23.739","0.003","4.7791","0.0005","18.0722","0.0019","90","","90","","90","","2050.3","0.4","298","2","298","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","Methyl (4<i>R</i>)-4-(4-methoxybenzoyl)-4-{[(1<i>R</i>)-1-phenylethyl]carbamoyl}butanoate","","- C22 H25 N O5 -","- C22 H25 N O5 -","- C88 H100 N4 O20 -","4","1","HB7652","Manchado, Alejandro; Salgado, Mateo M.; Vicente, Álvaro; Díez, David; Sanz, Francisca; Garrido, Narciso M.","Crystal structure of methyl (4<i>R</i>)-4-(4-methoxybenzoyl)-4-{[(1<i>R</i>)-1-phenylethyl]carbamoyl}butanoate","Acta Crystallographica Section E","2017","73","4","503","506","10.1107/S2056989017003607","","","1.54178","CuKα","","0.1043","0.0673","","","0.152","0.1633","","","","","","1.249","","","","has coordinates,has Fobs","194255","2020-10-21","18:00:00",""
"2242081","15.6096","0.0004","8.8817","0.0002","15.8973","0.0004","90","","98.601","0.002","90","","2179.21","0.09","173","2","173","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","(2<i>Z</i>,5<i>Z</i>)-3-(2-Methoxyphenyl)-2-[(2-methoxyphenyl)imino]-5-(4-nitrobenzylidene)thiazolidin-4-one","","- C24 H19 N3 O5 S -","- C24 H19 N3 O5 S -","- C96 H76 N12 O20 S4 -","4","1","XU5900","Djafri, Ahmed; Chouaih, Abdelkader; Daran, Jean-Claude; Djafri, Ayada; Hamzaoui, Fodil","Crystal and molecular structure of (2<i>Z</i>,5<i>Z</i>)-3-(2-methoxyphenyl)-2-[(2-methoxyphenyl)imino]-5-(4-nitrobenzylidene)thiazolidin-4-one","Acta Crystallographica Section E","2017","73","4","511","514","10.1107/S2056989017003218","","","0.71073","MoKα","","0.0565","0.0406","","","0.0971","0.1066","","","","","","1.025","","","","has coordinates,has Fobs","194256","2020-10-21","18:00:00",""
"2242082","15.945","0.012","8.765","0.006","16.894","0.013","90","","101.481","0.019","90","","2314","3","293","2","293","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","<i>trans</i>-Dichloridobis[<i>N</i>-(5,5-dimethyl-4,5-dihydro-3<i>H</i>-pyrrol-2-yl-κ<i>N</i>)acetamide]palladium(II) dihydrate","","- C16 H32 Cl2 N4 O4 Pd -","- C16 H32 Cl2 N4 O4 Pd -","- C64 H128 Cl8 N16 O16 Pd4 -","4","1","RZ5207","Lasri, Jamal; Eltayeb, Naser Eltaher; Haukka, Matti; Babgi, Bandar A.","Crystal structure of <i>trans</i>-dichloridobis[<i>N</i>-(5,5-dimethyl-4,5-dihydro-3<i>H</i>-pyrrol-2-yl-κ<i>N</i>)acetamide]palladium(II) dihydrate","Acta Crystallographica Section E","2017","73","4","528","530","10.1107/S2056989017003929","","","0.71073","MoKα","","0.0447","0.0318","","","0.0648","0.0705","","","","","","1.071","","","","has coordinates,has Fobs","194321","2020-10-21","18:00:00",""
"2242083","19.1513","0.0007","11.1589","0.0004","7.5071","0.0003","90","","92.088","0.001","90","","1603.26","0.1","273","2","273","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","1-(4-Chlorophenyl)-2-{[5-(4-chlorophenyl)-1,3,4-oxadiazol-2-yl]sulfanyl}ethanone","","- C16 H10 Cl2 N2 O2 S -","- C16 H10 Cl2 N2 O2 S -","- C64 H40 Cl8 N8 O8 S4 -","4","1","RZ5206","Kumar, Rajesh; Hussain, Shafqat; Khan, Khalid M.; Perveen, Shahnaz; Yousuf, Sammer","Crystal structure and Hirshfeld surface analysis of 1-(4-chlorophenyl)-2-{[5-(4-chlorophenyl)-1,3,4-oxadiazol-2-yl]sulfanyl}ethanone","Acta Crystallographica Section E","2017","73","4","524","527","10.1107/S2056989017003978","","","0.71073","MoKα","","0.0579","0.0452","","","0.1165","0.132","","","","","","1.118","","","","has coordinates,has Fobs","194322","2020-10-21","18:00:00",""
"2242084","5.4447","0.0007","17.18","0.002","11.7603","0.0019","90","","94.508","0.005","90","","1096.7","0.3","100","2","100","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","Ethyl 5-phenylisoxazole-3-carboxylate","","- C12 H11 N O3 -","- C12 H11 N O3 -","- C48 H44 N4 O12 -","4","1","","Shaik, Althaf; Kirubakaran, Sivapriya; Thiruvenkatam, Vijay","Crystal structure and Hirshfeld surface analysis of ethyl 5-phenylisoxazole-3-carboxylate","Acta Crystallographica Section E","2017","73","4","531","534","10.1107/S2056989017003127","","","0.71073","MoKα","","0.1108","0.0636","","","0.1526","0.1772","","","","","","1.087","","","","has coordinates,has Fobs","194323","2020-10-21","18:00:00",""
"2242085","14.3578","0.0004","13.9158","0.0002","13.222","0.0003","90","","114.08","0.003","90","","2411.86","0.11","123","2","123","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","<i>cis</i>-Dicarbonylchlorido(4'-chloro-2,2':6',2''-terpyridine-κ^3^<i>N</i>)ruthenium(II) <i>fac</i>-tricarbonyltrichloridoruthenate(II)]","","- C20 H10 Cl5 N3 O5 Ru2 -","- C20 H10 Cl5 N3 O5 Ru2 -","- C80 H40 Cl20 N12 O20 Ru8 -","4","1","WM5367","Tatikonda, Rajendhraprasad; Haukka, Matti","Ruthenium(II) carbonyl compounds with the 4'-chloro-2,2':6',2''-terpyridine ligand","Acta Crystallographica Section E","2017","73","4","556","559","10.1107/S2056989017003917","","","0.71073","MoKα","","0.0316","0.0244","","","0.0467","0.0499","","","","","","1.063","","","","has coordinates","194407","2020-10-21","18:00:00",""
"2242086","7.3019","0.0003","8.508","0.0003","14.7702","0.0006","101.287","0.003","91.835","0.003","98.144","0.003","889.08","0.06","123","2","123","2","","","","","","","","6","P -1","-P 1","2","","<i>cis</i>-Dicarbonyl-<i>trans</i>-dichlorido(4'-chloro-2,2':6',2''-terpyridine-κ^2^<i>N</i>^1^,<i>N</i>^1'^)ruthenium(II)","","- C17 H10 Cl3 N3 O2 Ru -","- C17 H10 Cl3 N3 O2 Ru -","- C34 H20 Cl6 N6 O4 Ru2 -","2","1","WM5367","Tatikonda, Rajendhraprasad; Haukka, Matti","Ruthenium(II) carbonyl compounds with the 4'-chloro-2,2':6',2''-terpyridine ligand","Acta Crystallographica Section E","2017","73","4","556","559","10.1107/S2056989017003917","","","0.71073","MoKα","","0.0352","0.0329","","","0.0856","0.088","","","","","","1.074","","","","has coordinates","194407","2020-10-21","18:00:00",""
"2242087","16.84","0.003","8.6112","0.0016","8.1418","0.0015","90","","103.735","0.002","90","","1146.9","0.4","173","2","173","2","","","","","","","","3","C 1 2/c 1","-C 2yc","15","","4,5-Dibromophenanthrene","","- C14 H8 Br2 -","- C14 H8 Br2 -","- C56 H32 Br8 -","4","0.5","ZL2696","Kim, Nicholas S.; Thamattoor, Dasan M.","Crystal structure of 4,5-dibromophenanthrene","Acta Crystallographica Section E","2017","73","4","539","542","10.1107/S2056989017003863","","","0.71073","MoKα","","0.0341","0.0298","","","0.0796","0.0832","","","","","","1.057","","","","has coordinates,has Fobs","194408","2020-10-21","18:00:00",""
"2242088","7.7388","0.0005","5.9128","0.0004","15.7769","0.001","90","","96.39","0.002","90","","717.43","0.08","123","2","123","2","","","","","","","","4","P 1 21 1","P 2yb","4","","(<i>S</i>)-4-[4-(Benzyloxy)benzyl]oxazolidine-2,5-dione","","- C17 H15 N O4 -","- C17 H15 N O4 -","- C34 H30 N2 O8 -","2","1","","Inada, Aya; Kanazawa, Hitoshi","Crystal structure of (<i>S</i>)-4-[4-(benzyloxy)benzyl]oxazolidine-2,5-dione","Acta Crystallographica Section E","2017","73","4","553","555","10.1107/S2056989017004236","","","0.71075","MoKα","","0.0391","0.0312","","","0.0634","0.0677","","","","","","1.097","","","","has coordinates,has Fobs","194409","2020-10-21","18:00:00",""
"2242089","14.294","0.0011","7.0352","0.0006","11.6043","0.0009","90","","99.437","0.006","90","","1151.15","0.16","296","","296","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","4,4'-Dinitro-[1,1'-biphenyl]-2-amine","","- C12 H9 N3 O4 -","- C12 H9 N3 O4 -","- C48 H36 N12 O16 -","4","1","","Faizi, Md. Serajul Haque; Haque, Ashanul; Dege, Necmi; Hasan, Syed Imran; Dege, Mustafa; Kalibabchuk, Valentina A.","Crystal structure of 4,4'-dinitro-[1,1'-biphenyl]-2-amine","Acta Crystallographica Section E","2017","73","4","550","552","10.1107/S205698901700408X","","","0.71073","MoKα","","0.1314","0.0398","","","0.0725","0.0924","","","","","","0.812","","","","has coordinates,has Fobs","194410","2020-10-21","18:00:00",""
"2242090","5.672","0.0003","12.6288","0.0007","13.469","0.0008","62.451","0.006","84.441","0.005","88.93","0.005","851","0.1","100","2","100","2","","","","","","","","4","P -1","-P 1","2","","(<i>E</i>)-4-Methylbenzyl 2-[(<i>E</i>)-3-phenylallylidene]hydrazinecarbodithioate","","- C18 H18 N2 S2 -","- C18 H18 N2 S2 -","- C36 H36 N4 S4 -","2","1","HB7666","Yusof, Enis Nadia Md; Tahir, Mohamed I. M.; Ravoof, Thahira B. S. A.; Tan, Sang Loon; Tiekink, Edward R. T.","A cinnamaldehyde Schiff base of <i>S</i>-(4-methylbenzyl) dithiocarbazate: crystal structure, Hirshfeld surface analysis and computational study","Acta Crystallographica Section E","2017","73","4","543","549","10.1107/S2056989017003991","","","1.5418","CuKα","","0.0404","0.0355","","","0.0937","0.0978","","","","","","1.027","","","","has coordinates,has Fobs","194411","2020-10-21","18:00:00",""
"2242091","17.522","0.003","8.9559","0.0018","8.986","0.0013","90","","90","","90","","1410.1","0.4","223","2","223","2","","","","","","","","5","P c a 21","P 2c -2ac","29","","Poly[μ-nitrato-[μ-<i>N</i>-(pyridin-2-ylmethyl-κ<i>N</i>)pyrazine-2-\ carboxamide-κ<i>N</i>^4^]silver(I)]","","- C11 H10 Ag N5 O4 -","- C11 H10 Ag N5 O4 -","- C44 H40 Ag4 N20 O16 -","4","1","","Cati, Dilovan S.; Stoeckli-Evans, Helen","The silver(I) nitrate complex of the ligand <i>N</i>-(pyridin-2-ylmethyl)pyrazine-2-carboxamide: a metal‒organic framework (MOF) structure","Acta Crystallographica Section E","2017","73","4","535","538","10.1107/S2056989017003930","","","0.71073","MoKα","","0.0523","0.0465","","","0.1195","0.1277","","","","","","1.1","","","","has coordinates,has Fobs","194412","2020-10-21","18:00:00",""
"2242092","8.3663","0.0002","13.0442","0.0004","12.5363","0.0002","90","","103.46","0.002","90","","1330.53","0.06","293","2","293","2","","","","","","","","5","P 1 21 1","P 2yb","4","","1-Butyl-1-chloro-3-methyl-3<i>H</i>-2,1λ^4^-benzoxatellurole","","- C12 H17 Cl O Te -","- C12 H17 Cl O Te -","- C48 H68 Cl4 O4 Te4 -","4","2","HG5483","Zukerman-Schpector, Julio; Cunha, Rodrigo; Omori, Álvaro T.; Sousa Madureira, Lucas; Tiekink, Edward R. T.","1-Butyl-1-chloro-3-methyl-3<i>H</i>-2,1λ^4^-benzoxatellurole: crystal structure and Hirshfeld analysis","Acta Crystallographica Section E","2017","73","4","564","568","10.1107/S2056989017003887","","","0.71073","MoKα","","0.0282","0.0274","","","0.0742","0.0755","","","","","","1.016","","","","has coordinates,has Fobs","194502","2020-10-21","18:00:00",""
"2242093","7.4653","0.0007","15.4548","0.0014","12.2095","0.0012","90","","90.073","0.004","90","","1408.7","0.2","296","","296","","","","","","","","","4","P 1 21/n 1","-P 2yn","14","2-(Ammoniomethyl)pyridinium dihydrogen squarate","2-(Azaniumylmethyl)pyridinium bis(2-hydroxy-3,4-dioxocyclobutanolate)","","- C14 H12 N2 O8 -","- C14 H12 N2 O8 -","- C56 H48 N8 O32 -","4","1","SJ5524","Salamzadeh, Nina; Demircioglu, Zeynep; Korkmaz, Ufuk; Büyükgüngör, Orhan","Crystal structure of 2-(azaniumylmethyl)pyridinium bis(hydrogen squarate)","Acta Crystallographica Section E","2017","73","4","586","589","10.1107/S2056989017004376","","","0.71073","MoKα","","0.0486","0.0421","","","0.1089","0.1181","","","","","","1.106","","","","has coordinates,has Fobs","194503","2020-10-21","18:00:00",""
"2242094","9.289","0.004","9.616","0.004","14.474","0.006","90","","90.825","0.004","90","","1292.7","0.9","100","2","100","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","(<i>E</i>)-<i>N</i>'-Methyl-2-[1-(2-oxo-2<i>H</i>-chromen-3-yl)ethylidene]hydrazinecarbothioamide","","- C13 H13 N3 O2 S -","- C13 H13 N3 O2 S -","- C52 H52 N12 O8 S4 -","4","1","","Saranya, Sivaraj; Haribabu, Jebiti; Bhuvanesh, Nattamai S. P.; Karvembu, Ramasamy; Gayathri, Dasararaju","Crystal structures of the Schiff base derivatives (<i>E</i>)-<i>N</i>'-[(1<i>H</i>-indol-3-yl)methylidene]isonicotinohydrazide ethanol monosolvate and (<i>E</i>)-<i>N</i>-methyl-2-[1-(2-oxo-2<i>H</i>-chromen-3-yl)ethylidene]hydrazinecarbothioamide","Acta Crystallographica Section E","2017","73","4","594","597","10.1107/S205698901700411X","","","0.71073","MoKα","","0.065","0.0479","","","0.1078","0.1156","","","","","","1.103","","","","has coordinates,has Fobs","194504","2020-10-21","18:00:00",""
"2242095","9.4692","0.0018","9.9821","0.0019","16.682","0.003","90","","90","","90","","1576.8","0.5","110","2","110","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","(<i>E</i>)-<i>N</i>'-[(1<i>H</i>-Indol-3-yl)methylidene]isonicotinohydrazide ethanol monosolvate","","- C17 H18 N4 O2 -","- C17 H18 N4 O2 -","- C68 H72 N16 O8 -","4","1","","Saranya, Sivaraj; Haribabu, Jebiti; Bhuvanesh, Nattamai S. P.; Karvembu, Ramasamy; Gayathri, Dasararaju","Crystal structures of the Schiff base derivatives (<i>E</i>)-<i>N</i>'-[(1<i>H</i>-indol-3-yl)methylidene]isonicotinohydrazide ethanol monosolvate and (<i>E</i>)-<i>N</i>-methyl-2-[1-(2-oxo-2<i>H</i>-chromen-3-yl)ethylidene]hydrazinecarbothioamide","Acta Crystallographica Section E","2017","73","4","594","597","10.1107/S205698901700411X","","","0.71073","MoKα","","0.0441","0.0433","","","0.1186","0.1194","","","","","","0.98","","","","has coordinates,has Fobs","194504","2020-10-21","18:00:00",""
"2242096","4.8211","0.0006","13.776","0.003","7.0113","0.001","90","","98.06","0.03","90","","461.06","0.14","100","2","100","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","Formamidinium iodide","","- C H5 I N2 -","- C H5 I N2 -","- C4 H20 I4 N8 -","4","1","LH5840","Petrov, Andrey A.; Goodilin, Eugene A.; Tarasov, Alexey B.; Lazarenko, Vladimir A.; Dorovatovskii, Pavel V.; Khrustalev, Victor N.","Formamidinium iodide: crystal structure and phase transitions","Acta Crystallographica Section E","2017","73","4","569","572","10.1107/S205698901700425X","","","0.9699","synchrotron","","0.0402","0.0388","","","0.092","0.093","","","","","","1.061","","","","has coordinates,has Fobs","194505","2020-10-21","18:00:00",""
"2242097","8.3187","0.0003","11.4119","0.0003","12.1012","0.0004","70.437","0.003","73.688","0.003","87.038","0.002","1037.76","0.06","100.01","0.1","100.01","0.1","","","","","","","","6","P -1","-P 1","2","","<i>trans</i>-(2-Aminopyridine-κ<i>N</i>)dichlorido{4-ethoxycarbonylmethoxy-3-methoxy-1-[(2,3-η)-prop-2-en-1-yl]benzene}platinum(II)","","- C19 H24 Cl2 N2 O4 Pt -","- C19 H24 Cl2 N2 O4 Pt -","- C38 H48 Cl4 N4 O8 Pt2 -","2","1","RZ5208","Le Thi Hong, Hai; Nguyen Thu, Thao; Nguyen, Hien; Van Meervelt, Luc","Crystal structures of two platinum(II) complexes containing ethyl eugenoxyacetate and 2-aminopyridine","Acta Crystallographica Section E","2017","73","4","573","578","10.1107/S2056989017004285","","","0.71073","MoKα","","0.0309","0.0287","","","0.0631","0.0646","","","","","","1.04","","","","has coordinates,has disorder,has Fobs","194506","2020-10-21","18:00:00",""
"2242098","15.1198","0.0005","10.0855","0.0002","14.1855","0.0004","90","","117.329","0.004","90","","1921.72","0.12","100.01","0.1","100.01","0.1","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","(2-Aminopyridine-κ<i>N</i>)chlorido{5-ethoxycarbonylmethoxy-4-methoxy-1-[(2,3-η)-prop-2-en-1-yl]phenyl-κ<i>C</i>^1^}platinum(II)","","- C19 H23 Cl N2 O4 Pt -","- C19 H23 Cl N2 O4 Pt -","- C76 H92 Cl4 N8 O16 Pt4 -","4","1","RZ5208","Le Thi Hong, Hai; Nguyen Thu, Thao; Nguyen, Hien; Van Meervelt, Luc","Crystal structures of two platinum(II) complexes containing ethyl eugenoxyacetate and 2-aminopyridine","Acta Crystallographica Section E","2017","73","4","573","578","10.1107/S2056989017004285","","","0.71073","MoKα","","0.0178","0.0162","","","0.0375","0.0382","","","","","","1.059","","","","has coordinates,has Fobs","194506","2020-10-21","18:00:00",""
"2242099","6.9695","0.0002","8.096","0.0003","10.5316","0.0003","76.468","0.002","73.251","0.002","75.39","0.002","542.23","0.03","120","2","120","2","","","","","","","","4","P -1","-P 1","2","","Hydrazinium 2-amino-4-nitrobenzoate dihydrate","","- C7 H14 N4 O6 -","- C7 H14 N4 O6 -","- C14 H28 N8 O12 -","2","1","HB7667","Wardell, James L.; Jotani, Mukesh M.; Tiekink, Edward R. T.","Hydrazinium 2-amino-4-nitrobenzoate dihydrate: crystal structure and Hirshfeld surface analysis","Acta Crystallographica Section E","2017","73","4","579","585","10.1107/S2056989017004352","","","0.71073","MoKα","","0.0459","0.0386","","","0.1039","0.1095","","","","","","1.049","","","","has coordinates,has Fobs","194507","2020-10-21","18:00:00",""
"2242100","9.806","0.005","11.264","0.005","17.274","0.005","96.727","0.005","95.859","0.005","108.575","0.005","1776.4","1.3","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","2,2'-(5-<i>tert</i>-Butyl-1,3-phenylene)bis(1-pentyl-1<i>H</i>-benzimidazol-3-ium) tetrachloridomercurate(II)","","- C34 H44 Cl4 Hg N4 -","- C34 H44 Cl4 Hg N4 -","- C68 H88 Cl8 Hg2 N8 -","2","1","ZL2697","Rani, Varsha; Singh, Harkesh B.; Butcher, Ray J.","Structure of 2,2'-(5-<i>tert</i>-butyl-1,3-phenylene)bis(1-pentyl-1<i>H</i>-benzimidazol-3-ium) tetrachloridomercurate(II)","Acta Crystallographica Section E","2017","73","4","560","563","10.1107/S2056989017004303","","","1.54178","CuKα","","0.0196","0.0195","","","0.0478","0.0479","","","","","","1.101","","","","has coordinates,has disorder,has Fobs","194510","2020-10-21","18:00:00",""
"2242101","11.276","0.004","11.276","0.004","11.276","0.004","90","","90","","90","","1433.7","0.9","293","","293","","","","","","","","","2","F -4 3 m","F -4 2 3","216","","Antimony-doped germanium","","- Ge0.9375 Sb0.0725 -","- Ge0.9375 Sb0.072625 -","- Ge60 Sb4.648 -","64","0.666667","VN2127","Herrero, Adrian Gómez; Hammoudi, Lamia; Kars, Mohammed; Roisnel, Thierry; Otero-Diáz, L. Carlos","Une surstructure de α-Ge, type diamant, induite par un dopage d'antimoine","Acta Crystallographica Section E","2017","73","5","654","657","10.1107/S2056989017004996","","","0.71073","MoKα","","0.1","0.058","","","0.0823","0.0869","","","","","","1.79","","","","has coordinates,has Fobs","194919","2020-10-21","18:00:00",""
"2242102","6.1917","0.0005","5.5299","0.0005","17.4769","0.0012","90","","99.233","0.007","90","","590.65","0.08","296.85","0.1","296.85","0.1","","","","","","","","4","P 1 21/n 1","-P 2yn","14","BIDN","3,3'-Biisoxazole-5,5'-bis(methylene) dinitrate","","- C8 H6 N4 O8 -","- C8 H6 N4 O8 -","- C16 H12 N8 O16 -","2","0.5","PK2599","Sausa, Rosario C.; Pesce-Rodriguez, Rose A.; Wingard, Leah A.; Guzmán, Pablo E.; Sabatini, Jesse J.","Crystal structure of 3,3'-biisoxazole-5,5'-bis(methylene) dinitrate (BIDN)","Acta Crystallographica Section E","2017","73","4","644","646","10.1107/S205698901700487X","","","0.71073","MoKα","","0.0488","0.0406","","","0.0985","0.1049","","","","","","1.057","","","","has coordinates","196534","2020-10-21","18:00:00",""
"2242103","5.1628","0.0003","8.1593","0.0003","38.5755","0.0016","90","","90","","90","","1624.99","0.13","293","2","293","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","4-Nitrophenyl 6-<i>O</i>-ethyl-β-<i>D</i>-galactopyranoside monohydrate","","- C14 H21 N O9 -","- C14 H21 N O9 -","- C56 H84 N4 O36 -","4","1","ZS2376","Silva, Bruno Leonardo; Alves, Ricardo José; Speziali, Nivaldo Lúcio","Crystal structure of 4-nitrophenyl 6-<i>O</i>-ethyl-β-<small>D</small>-galactopyranoside monohydrate","Acta Crystallographica Section E","2017","73","4","598","601","10.1107/S2056989017004595","","","0.71073","MoKα","","0.0589","0.046","","","0.0988","0.1084","","","","","","1.075","","","","has coordinates","196535","2020-10-21","18:00:00",""
"2242104","21.3157","0.0018","11.9883","0.0008","22.8642","0.0015","90","","103.729","0.002","90","","5675.8","0.7","294","","294","","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","2-{[(4-Iminiumyl-3-methyl-1,4-dihydropyridin-1-yl)methyl]carbamoyl}benzoate hemihydrate","","- C15 H16 N3 O3.5 -","- C15 H16 N3 O3.5 -","- C240 H256 N48 O56 -","16","2","SJ5531","Chidan Kumar, C. S.; Sim, Ai Jia; Ng, Weng Zhun; Chia, Tze Shyang; Loh, Wan-Sin; Kwong, Huey Chong; Quah, Ching Kheng; Naveen, S.; Lokanath, N. K.; Warad, Ismail","The crystal structure of zwitterionic 2-{[(4-iminiumyl-3-methyl-1,4-dihydropyridin-1-yl)methyl]carbamoyl}benzoate hemihydrate","Acta Crystallographica, Section E","2017","73","7","927","931","10.1107/S2056989017007836","","","0.71073","MoKα","","0.0714","0.0465","","","0.1191","0.1362","","","","","","1.037","","","","has coordinates","198755","2020-10-21","18:00:00",""
"2242105","11.8226","0.0016","6.6305","0.0009","13.3557","0.0019","90","","114.531","0.003","90","","952.4","0.2","296","2","296","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","(1<i>Z</i>,4<i>Z</i>)-2,4-dimethyl-3<i>H</i>-benzo[<i>b</i>][1,4]diazepine","","- C11 H12 N2 -","- C11 H12 N2 -","- C44 H48 N8 -","4","1","HB7662","Nieto, Carla I.; Claramunt, Rosa M.; Torralba, M. Carmen; Torres, M. Rosario; Elguero, Jose","Crystal structure of (1<i>Z</i>,4<i>Z</i>)-2,4-dimethyl-3<i>H</i>-benzo[<i>b</i>][1,4]diazepine","Acta Crystallographica, Section E","2017","73","5","647","650","10.1107/S2056989017004972","","","0.71073","MoKα","","0.1238","0.0514","","","0.1204","0.1457","","","","","","0.993","","","","has coordinates","198756","2020-10-21","18:00:00",""
"2242106","8.2363","0.0001","12.702","0.0002","11.4038","0.0001","90","","110.391","0.002","90","","1118.28","0.03","100","2","100","","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","<i>trans</i>-Dichloridobis(dimethyl sulfoxide-κ<i>O</i>)bis(4-fluorobenzyl-κ<i>C</i>^1^)tin(IV)","","- C18 H24 Cl2 F2 O2 S2 Sn -","- C18 H24 Cl2 F2 O2 S2 Sn -","- C36 H48 Cl4 F4 O4 S4 Sn2 -","2","0.5","WM5381","Nur Adibah Binti Mohd Amin; Rusnah Syahila Duali Hussen; Lee, See Mun; Halcovitch, Nathan R.; Jotani, Mukesh M.; Tiekink, Edward R. T.","<i>trans</i>-Dichloridobis(dimethyl sulfoxide-κ<i>O</i>)bis(4-fluorobenzyl-κ<i>C</i>^1^)tin(IV): crystal structure and Hirshfeld surface analysis","Acta Crystallographica, Section E","2017","73","5","667","672","10.1107/S2056989017005072","","","1.54184","CuKα","","0.0182","0.0176","","","0.0458","0.0462","","","","","","1.078","","","","has coordinates","198757","2020-10-21","18:00:00",""
"2242107","7.9989","0.0003","8.0659","0.0003","14.6533","0.0005","104.52","0.001","98.422","0.001","98.909","0.001","887.04","0.06","296","2","296","2","","","","","","","","4","P -1","-P 1","2","","(<i>E</i>)-5-[1-Hydroxy-3-(3,4,5-trimethoxyphenyl)allylidene]-1,3-dimethylpyrimidine-2,4,6-trione","","- C18 H20 N2 O7 -","- C18 H20 N2 O7 -","- C36 H40 N4 O14 -","2","1","HB7681","Soto-Monsalve, Mónica; Romero, Elkin L.; Zuluaga, Fabio; Chaur, Manuel N.; D'Vries, Richard F.","(<i>E</i>)-5-[1-Hydroxy-3-(3,4,5-trimethoxyphenyl)allylidene]-1,3-dimethylpyrimidine-2,4,6-trione: crystal structure and Hirshfeld surface analysis","Acta Crystallographica Section E","2017","73","8","1197","1201","10.1107/S2056989017010374","","","0.71073","MoKα","","0.047","0.0425","","","0.125","0.1301","","","","","","1.043","","","","has coordinates,has Fobs","198827","2020-10-21","18:00:00",""
"2242108","15.3879","0.0002","17.8733","0.0005","22.2895","0.0006","90","","90","","90","","6130.3","0.3","150","2","150","2","","","","","","","","8","P 21 21 21","P 2ac 2ab","19","","Bis(tetra-<i>n</i>-butylammonium) bis(1,1,1,4,4,4-hexafluorobut-2-ene-2,3-dithiolato)oxalatomolybdate(IV)‒chloroform‒oxalic acid (1/1/1),","","- C45 H75 Cl3 F12 Mo N2 O8 S4 -","- C45 H75 Cl3 F12 Mo N2 O8 S4 -","- C180 H300 Cl12 F48 Mo4 N8 O32 S16 -","4","1","ZL2708","Gapinska, Agata; Lough, Alan J.; Fekl, Ulrich","Coordination compounds containing bis-dithiolene-chelated molybdenum(IV) and oxalate: comparison of terminal with bridging oxalate","Acta Crystallographica Section E","2017","73","8","1202","1207","10.1107/S205698901701026X","","","0.71073","MoKα","","0.0895","0.048","","","0.0898","0.105","","","","","","1.021","","","","has coordinates,has disorder,has Fobs","198828","2020-10-21","18:00:00",""
"2242109","14.2347","0.0015","19.494","0.0019","14.4056","0.0014","90","","103.159","0.005","90","","3892.5","0.7","150","2","150","2","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","Bis(tetra-<i>n</i>-butylammonium) μ-oxalato-bis[bis(1,1,1,4,4,4-hexafluorobut-2-ene-2,3-dithiolato)molybdate(IV)]","","- C50 H72 F24 Mo2 N2 O4 S8 -","- C50 H72 F24 Mo2 N2 O4 S8 -","- C100 H144 F48 Mo4 N4 O8 S16 -","2","0.5","","Gapinska, Agata; Lough, Alan J.; Fekl, Ulrich","Coordination compounds containing bis-dithiolene-chelated molybdenum(IV) and oxalate: comparison of terminal with bridging oxalate","Acta Crystallographica Section E","2017","73","8","1202","1207","10.1107/S205698901701026X","","","0.71073","MoKα","","0.122","0.0652","","","0.1382","0.164","","","","","","1.01","","","","has coordinates,has disorder,has Fobs","198828","2020-10-21","18:00:00",""
"2242110","7.759","0.003","8.733","0.004","19.904","0.007","91.087","0.016","90.593","0.017","113.241","0.015","1238.8","0.9","93","2","93","2","","","","","","","","4","P -1","-P 1","2","","4-Methoxybenzoic acid‒1,3-bis(pyridin-4-yl)propane (2/1)","","- C29 H30 N2 O6 -","- C29 H30 N2 O6 -","- C58 H60 N4 O12 -","2","1","","Gotoh, Kazuma; Ishida, Hiroyuki","Crystal structures of 4-methoxybenzoic acid‒1,3-bis(pyridin-4-yl)propane (2/1) and biphenyl-4,4'-dicarboxylic acid‒4-methoxypyridine (1/2)","Acta Crystallographica Section E","2017","73","8","1192","1196","10.1107/S2056989017010167","","","0.71075","MoKα","","0.0513","0.0404","","","0.1026","0.1055","","","","","","1.069","","","","has coordinates,has Fobs","198829","2020-10-21","18:00:00",""
"2242111","18.354","0.006","7.4166","0.0016","16.674","0.005","90","","104.943","0.012","90","","2193","1.1","93","2","93","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","Biphenyl-4,4'-dicarboxylic acid‒4-methoxypyridine (1/2)","","- C26 H24 N2 O6 -","- C26 H24 N2 O6 -","- C104 H96 N8 O24 -","4","1","","Gotoh, Kazuma; Ishida, Hiroyuki","Crystal structures of 4-methoxybenzoic acid‒1,3-bis(pyridin-4-yl)propane (2/1) and biphenyl-4,4'-dicarboxylic acid‒4-methoxypyridine (1/2)","Acta Crystallographica Section E","2017","73","8","1192","1196","10.1107/S2056989017010167","","","0.71075","MoKα","","0.0453","0.0377","","","0.1033","0.1075","","","","","","1.056","","","","has coordinates,has Fobs","198829","2020-10-21","18:00:00",""
"2242112","6.044","0.0001","32.6938","0.0006","10.5679","0.0002","90","","92.266","0.002","90","","2086.6","0.07","120","","120","","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","2-<i>tert</i>-Butyl-2,3-dihydro-1<i>H</i>-benzo[<i>c</i>]pyrrol-1-one","","- C12 H15 N O -","- C12 H15 N O -","- C96 H120 N8 O8 -","8","2","ZS2383","Donkeng Dazie, Joel; Ludvík, Jiří; Fábry, Jan; Eigner, Václav","Crystal structure of 2-<i>tert</i>-butyl-2,3-dihydro-1<i>H</i>-benzo[<i>c</i>]pyrrol-1-one","Acta Crystallographica Section E","2017","73","8","1184","1188","10.1107/S2056989017010337","","","1.54184","CuKα","","0.0372","0.0318","","","0.0812","0.0832","","","","","","2.13","","","","has coordinates,has Fobs","198830","2020-10-21","18:00:00",""
"2242113","8.7344","0.0008","9.5967","0.0009","36.41","0.003","90","","90","","90","","3051.9","0.5","273","2","273","2","","","","","","","","3","P b c a","-P 2ac 2ab","61","","2-(Pyren-1-yl)-1<i>H</i>-benzimidazole","","- C23 H14 N2 -","- C23 H14 N2 -","- C184 H112 N16 -","8","1","","Faizi, Md. Serajul Haque; Dege, Necmi; Malinkin, S.","Crystal structure and DFT study of 2-(pyren-1-yl)-1<i>H</i>-benzimidazole","Acta Crystallographica Section E","2017","73","8","1180","1183","10.1107/S2056989017010271","","","0.71073","MoKα","","0.0941","0.049","","","0.097","0.1127","","","","","","1.027","","","","has coordinates,has Fobs","198831","2020-10-21","18:00:00",""
"2242114","9.1505","0.0016","11.2712","0.0019","16.379","0.003","90","","103.997","0.006","90","","1639.1","0.5","298","2","298","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","<i>rac</i>-2,3-Diphenyl-2,3-dihydro-4<i>H</i>-1,3-benzothiazin-4-one 1-oxide","<i>rac</i>-2,3-Diphenyl-2,3-dihydro-4<i>H</i>-1,3-benzothiazin-4-one 1-oxide","","- C20 H15 N O2 S -","- C20 H15 N O2 S -","- C80 H60 N4 O8 S4 -","4","1","ZS2384","Yennawar, Hemant P.; Fox, Ryan; Moyer, Quentin J.; Yang, Ziwei; Silverberg, Lee J.","Crystal structure of 2,3-diphenyl-2,3-dihydro-4<i>H</i>-1,3-benzothiazin-4-one 1-oxide","Acta Crystallographica Section E","2017","73","8","1189","1191","10.1107/S2056989017010313","","","0.71073","MoKα","","0.097","0.09","","","0.2268","0.2308","","","","","","1.652","","","","has coordinates,has Fobs","198832","2020-10-21","18:00:00",""
"2242115","15.569","0.003","16.994","0.003","17.035","0.003","111.56","0.03","114.71","0.03","96.3","0.03","3618","2","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","Bis{1-phenyl-3-methyl-4-[(quinolin-3-yl)iminomethyl-κ<i>N</i>]-1<i>H</i>-pyrazol-5-olato-κ<i>O</i>}zinc methanol 2.5-solvate","","- C44.5 H40 N8 O4.5 Zn -","- C42.5 H40 N8 O4.5 Zn -","- C170 H160 N32 O18 Zn4 -","4","2","WM5401","Burlov, Anatoliy S.; Vlasenko, Valery G.; Dorovatovskii, Pavel V.; Zubavichus, Yan V.; Khrustalev, Victor N.","Crystal structure of bis{1-phenyl-3-methyl-4-[(quinolin-3-yl)iminomethyl-κ<i>N</i>]-1<i>H</i>-pyrazol-5-olato-κ<i>O</i>}zinc methanol 2.5-solvate from synchrotron X-ray diffraction","Acta Crystallographica Section E","2017","73","8","1208","1212","10.1107/S2056989017010441","","","0.9699","synchrotron","","0.0674","0.0516","","","0.1365","0.1524","","","","","","1.095","","","","has coordinates,has disorder,has Fobs","198833","2020-10-21","18:00:00",""
"2242116","10.336","0.003","9.171","0.003","11.87","0.003","90","","100.656","0.005","90","","1105.8","0.6","173","2","173","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","<i>tert</i>-Butyl (5-chloropenta-2,4-diyn-1-yl)carbamate","","- C10 H12 Cl N O2 -","- C10 H12 Cl N O2 -","- C40 H48 Cl4 N4 O8 -","4","1","MW2133","Baillargeon, Pierre; Rahem, Tarik; Caron-Duval, Édouard; Tremblay, Jacob; Fortin, Cloé; Blais, Étienne; Fan, Victor; Fortin, Daniel; Dory, Yves L.","Isomorphous crystal structures of chlorodiacetylene and iododiacetylene derivatives: simultaneous hydrogen and halogen bonds on carbonyl","Acta Crystallographica Section E","2017","73","8","1175","1179","10.1107/S2056989017010155","","","0.71073","MoKα","","0.0544","0.0361","","","0.0812","0.0892","","","","","","1.059","","","","has coordinates,has Fobs","198834","2020-10-21","18:00:00",""
"2242117","11.1587","0.0016","9.0288","0.0013","12.9899","0.0018","90","","108.731","0.002","90","","1239.4","0.3","173","2","173","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","<i>tert</i>-Butyl (5-iodopenta-2,4-diyn-1-yl)carbamate","","- C10 H12 I N O2 -","- C10 H12 I N O2 -","- C40 H48 I4 N4 O8 -","4","1","MW2133","Baillargeon, Pierre; Rahem, Tarik; Caron-Duval, Édouard; Tremblay, Jacob; Fortin, Cloé; Blais, Étienne; Fan, Victor; Fortin, Daniel; Dory, Yves L.","Isomorphous crystal structures of chlorodiacetylene and iododiacetylene derivatives: simultaneous hydrogen and halogen bonds on carbonyl","Acta Crystallographica Section E","2017","73","8","1175","1179","10.1107/S2056989017010155","","","0.71073","MoKα","","0.0245","0.0219","","","0.053","0.0542","","","","","","1.076","","","","has coordinates,has Fobs","198834","2020-10-21","18:00:00",""
"2242118","5.8266","0.0006","38.743","0.004","7.5613","0.0007","90","","103.257","0.003","90","","1661.4","0.3","296","2","296","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","(<i>E</i>)-1-[4-(4-Bromobutoxy)phenyl]-3-phenylprop-2-en-1-one","","- C19 H19 Br O2 -","- C19 H19 Br O2 -","- C76 H76 Br4 O8 -","4","1","RZ5217","Maragatham, Gunasekaran; Selvarani, Sivasamy; Rajakumar, Perumal; Lakshmi, Srinivasakannan","Crystal structures of three 1-[4-(4-bromobutoxy)phenyl] chalcone derivatives: (<i>E</i>)-1-[4-(4-bromobutoxy)phenyl]-3-phenylprop-2-en-1-one, (<i>E</i>)-1-[4-(4-bromobutoxy)phenyl]-3-(4-methoxyphenyl)prop-2-en-1-one and (<i>E</i>)-1-[4-(4-bromobutoxy)phenyl]-3-(3,4-dimethoxyphenyl)prop-2-en-1-one","Acta Crystallographica Section E","2017","73","8","1232","1236","10.1107/S2056989017010052","","","0.71073","MoKα","","0.0578","0.0372","","","0.1108","0.1247","","","","","","0.996","","","","has coordinates,has Fobs","198915","2020-10-21","18:00:00",""
"2242119","5.7331","0.0003","41.732","0.002","7.6476","0.0004","90","","101.767","0.002","90","","1791.27","0.16","296","2","296","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","(<i>E</i>)-1-[4-(4-Bromobutoxy)phenyl]-3-(4-methoxyphenyl)prop-2-en-1-one","","- C20 H21 Br O3 -","- C20 H21 Br O3 -","- C80 H84 Br4 O12 -","4","1","RZ5217","Maragatham, Gunasekaran; Selvarani, Sivasamy; Rajakumar, Perumal; Lakshmi, Srinivasakannan","Crystal structures of three 1-[4-(4-bromobutoxy)phenyl] chalcone derivatives: (<i>E</i>)-1-[4-(4-bromobutoxy)phenyl]-3-phenylprop-2-en-1-one, (<i>E</i>)-1-[4-(4-bromobutoxy)phenyl]-3-(4-methoxyphenyl)prop-2-en-1-one and (<i>E</i>)-1-[4-(4-bromobutoxy)phenyl]-3-(3,4-dimethoxyphenyl)prop-2-en-1-one","Acta Crystallographica Section E","2017","73","8","1232","1236","10.1107/S2056989017010052","","","0.71073","MoKα","","0.0579","0.0413","","","0.0986","0.1046","","","","","","1.071","","","","has coordinates,has Fobs","198915","2020-10-21","18:00:00",""
"2242120","9.4765","0.0004","26.0984","0.0012","7.8666","0.0004","90","","91.427","0.002","90","","1944.98","0.16","296","2","296","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","(<i>E</i>)-1-[4-(4-Bromobutoxy)phenyl]-3-(3,4-dimethoxyphenyl)prop-2-en-1-one","","- C21 H23 Br O4 -","- C21 H23 Br O4 -","- C84 H92 Br4 O16 -","4","1","RZ5217","Maragatham, Gunasekaran; Selvarani, Sivasamy; Rajakumar, Perumal; Lakshmi, Srinivasakannan","Crystal structures of three 1-[4-(4-bromobutoxy)phenyl] chalcone derivatives: (<i>E</i>)-1-[4-(4-bromobutoxy)phenyl]-3-phenylprop-2-en-1-one, (<i>E</i>)-1-[4-(4-bromobutoxy)phenyl]-3-(4-methoxyphenyl)prop-2-en-1-one and (<i>E</i>)-1-[4-(4-bromobutoxy)phenyl]-3-(3,4-dimethoxyphenyl)prop-2-en-1-one","Acta Crystallographica Section E","2017","73","8","1232","1236","10.1107/S2056989017010052","","","0.71073","MoKα","","0.0644","0.0348","","","0.095","0.1114","","","","","","1.017","","","","has coordinates,has Fobs","198915","2020-10-21","18:00:00",""
"2242121","9.6467","0.0009","18.408","0.001","7.8076","0.0006","90","","102.071","0.008","90","","1355.79","0.18","293","2","293","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","Ethyl 2-(4-methoxyphenyl)-6-oxa-3-azabicyclo[3.1.0]hexane-3-carboxylate","","- C14 H17 N O4 -","- C14 H17 N O4 -","- C56 H68 N4 O16 -","4","1","HB7690","Zukerman-Schpector, Julio; Sugiyama, Fabricia H.; Garcia, Ariel L. L.; Correia, Carlos Roque D.; Jotani, Mukesh M.; Tiekink, Edward R. T.","Ethyl 2-(4-methoxyphenyl)-6-oxa-3-azabicyclo[3.1.0]hexane-3-carboxylate: crystal structure and Hirshfeld analysis","Acta Crystallographica Section E","2017","73","8","1218","1222","10.1107/S2056989017009987","","","0.71073","MoKα","","0.1214","0.0491","","","0.1206","0.1472","","","","","","0.995","","","","has coordinates,has Fobs","198916","2020-10-21","18:00:00",""
"2242122","3.7565","0.0008","8.7002","0.0017","18.35","0.004","90","","90","","90","","599.7","0.2","125","2","125","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","5-Chloropyridine-2,3-diamine","","- C5 H6 Cl N3 -","- C5 H6 Cl N3 -","- C20 H24 Cl4 N12 -","4","1","FY2122","Sulovari, Aron; Tanski, Joseph M.","Crystallographic and spectroscopic characterization of 5-chloropyridine-2,3-diamine","Acta Crystallographica Section E","2017","73","8","1213","1217","10.1107/S2056989017010489","","","0.71073","MoKα","","0.062","0.0414","","","0.0774","0.0843","","","","","","1.067","","","","has coordinates,has Fobs","198917","2020-10-21","18:00:00",""
"2242123","6.3121","0.0001","10.5611","0.0002","7.9925","0.0002","90","","112.126","0.003","90","","493.57","0.02","123","2","123","2","","","","","","","","3","P 1 21 1","P 2yb","4","","(1<i>S</i>,4<i>R</i>,6<i>S</i>)-1,3,3-Trimethyl-2-oxabicyclo[2.2.2]octan-6-ol","","- C10 H18 O2 -","- C10 H18 O2 -","- C20 H36 O4 -","2","1","HG5490","Collis, Gavin E.; Unterweger, Birgit; Dumsday, Geoff J.; Forsyth, Craig M.","Structural elucidation of a hydroxy‒cineole product obtained from cytochrome P450 monooxygenase CYP101J2 catalysed transformation of 1,8-cineole","Acta Crystallographica Section E","2017","73","8","1242","1245","10.1107/S2056989017010015","","","1.54184","CuKα","","0.0294","0.0291","","","0.0755","0.0759","","","","","","1.045","","","","has coordinates,has Fobs","198918","2020-10-21","18:00:00",""
"2242124","7.27709","0.00007","7.32686","0.00006","25.5179","0.0002","90","","90","","90","","1360.57","0.02","100","1","100","1","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","Equilenin","3-Hydroxy-13-methyl-11,12,13,14,15,16-hexahydrocyclopenta[<i>a</i>]phenanthren-17-one","","- C18 H18 O2 -","- C18 H18 O2 -","- C72 H72 O8 -","4","1","SU5383","Frampton, Christopher S.; MacNicol, David D.","Structure of Equilenin at 100K: an estrone-related steroid","Acta Crystallographica Section E","2017","73","8","1223","1226","10.1107/S2056989017010532","","","1.54184","CuKα","","0.0293","0.0292","","","0.0802","0.0804","","","","","","1.008","","","","has coordinates,has Fobs","198919","2020-10-21","18:00:00",""
"2242125","9.8658","0.001","5.0979","0.0004","19.551","0.002","90","","96.033","0.008","90","","977.87","0.16","173","2","173","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","2,2'-(Ethane-1,2-diyl)bis(2,3-dihydro-1<i>H</i>-naphtho[1,2-<i>e</i>][1,3]oxazine)","","- C26 H24 N2 O2 -","- C26 H24 N2 O2 -","- C52 H48 N4 O4 -","2","0.5","SJ5529","Rivera, Augusto; Cepeda-Santamaría, Juan E.; Ríos-Motta, Jaime; Bolte, Michael","Crystal structure of 2,2'-(ethane-1,2-diyl)bis(2,3-dihydro-1<i>H</i>-naphtho[1,2-<i>e</i>][1,3]oxazine): a prospective raw material for polybenzoxazines","Acta Crystallographica Section E","2017","73","6","832","834","10.1107/S2056989017006673","","","0.71073","MoKα","","0.1138","0.0625","","","0.1126","0.1299","","","","","","0.939","","","","has coordinates,has Fobs","199105","2020-10-21","18:00:00",""
"2242126","7.206","0.002","7.206","0.002","18.653","0.011","90","","90","","120","","838.8","0.6","296","2","296","2","","","","","","","","4","R -3 :H","-R 3","148","","","","- B18 Ba8.35 O36 Pb0.65 -","- B18 Ba8.352 O36 Pb0.648 -","- B18 Ba8.352 O36 Pb0.648 -","1","0.0555556","","Zhao, Wenwu","Crystal structure of the solid solution Ba~8.35~Pb~0.65~(B~3~O~6~)~6~","Acta Crystallographica Section E","2017","73","3","349","353","10.1107/S2056989017001864","","","0.71073","MoKα","","0.0199","0.019","","","0.0471","0.0475","","","","","","1.23","","","","has coordinates","199106","2020-10-21","18:00:00",""
"2242127","8.3465","0.0002","10.9783","0.0003","14.6583","0.0004","90","","101.056","0.001","90","","1318.22","0.06","100","2","100","2","","","","","","","","3","P 1 21 1","P 2yb","4","","3-Oxours-12-ene-27a,28-dioic acid","","- C30 H44 O5 -","- C30 H44 O5 -","- C60 H88 O10 -","2","1","RZ5213","Bankeu Kezetas, Jean Jules; Dietagoum Madjouka, Stéphanie; Kumar, Rajesh; Ali, Muhammad Shaiq; Lenta Njakou, Bruno; Yousuf, Sammer","Crystal structure and Hirshfeld surface analysis of 3-oxours-12-ene-27a,28-dioic acid (quafrinoic acid)","Acta Crystallographica Section E","2017","73","5","763","766","10.1107/S2056989017006077","","","1.54178","CuKα","","0.0421","0.0414","","","0.1144","0.1152","","","","","","1.055","","","","has coordinates,has Fobs","199107","2020-10-21","18:00:00",""
"2242128","8.3074","0.0004","11.1871","0.0005","11.7693","0.0006","102.384","0.002","91.106","0.002","109.581","0.002","1001.6","0.08","150","2","150","2","","","","","","","","5","P -1","-P 1","2","","<i>rac</i>-6'-Bromo-3'-diethylamino-3<i>H</i>-spiro[2-benzofuran-1,9'-xanthen]-3-one","","- C24 H20 Br N O3 -","- C24 H20 Br N O3 -","- C48 H40 Br2 N2 O6 -","2","1","SJ5518","Stephenson, Clifton J.; Mague, Joel T.; Kamm, Nathaniel; Aleman, Nathalie; Rich, Dayla; Dang, Quynh-Nhu; Nguyen, Ha Van","Synthesis, resolution and crystal structures of two enantiomeric rhodamine derivatives","Acta Crystallographica Section E","2017","73","3","327","333","10.1107/S2056989017001451","","","1.54178","CuKα","","0.0493","0.0448","","","0.1182","0.124","","","","","","1.028","","","","has coordinates,has Fobs","199108","2020-10-21","18:00:00",""
"2242129","11.0772","0.0006","13.0582","0.0008","13.8966","0.0008","90","","90","","90","","2010.1","0.2","100","2","100","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","(1<i>S</i>)-6'-Bromo-3'-diethylamino-3<i>H</i>-spiro[2-benzofuran-1,9'-xanthen]-3-one","","- C24 H20 Br N O3 -","- C24 H20 Br N O3 -","- C96 H80 Br4 N4 O12 -","4","1","SJ5518","Stephenson, Clifton J.; Mague, Joel T.; Kamm, Nathaniel; Aleman, Nathalie; Rich, Dayla; Dang, Quynh-Nhu; Nguyen, Ha Van","Synthesis, resolution and crystal structures of two enantiomeric rhodamine derivatives","Acta Crystallographica Section E","2017","73","3","327","333","10.1107/S2056989017001451","","","0.71073","MoKα","","0.0299","0.0259","","","0.0569","0.0576","","","","","","0.985","","","","has coordinates,has Fobs","199108","2020-10-21","18:00:00",""
"2242130","8.1529","0.0013","18.185","0.003","26.86","0.004","90","","90","","90","","3982.3","1.1","100","2","100","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","(1<i>R</i>)-6'-Bromo-3'-diethylamino-3<i>H</i>-spiro[2-benzofuran-1,9'-xanthen]-3-one","","- C24 H20 Br N O3 -","- C24 H20 Br N O3 -","- C192 H160 Br8 N8 O24 -","8","2","SJ5518","Stephenson, Clifton J.; Mague, Joel T.; Kamm, Nathaniel; Aleman, Nathalie; Rich, Dayla; Dang, Quynh-Nhu; Nguyen, Ha Van","Synthesis, resolution and crystal structures of two enantiomeric rhodamine derivatives","Acta Crystallographica Section E","2017","73","3","327","333","10.1107/S2056989017001451","","","0.71073","MoKα","","0.0778","0.0445","","","0.0848","0.0934","","","","","","0.968","","","","has coordinates,has Fobs","199108","2020-10-21","18:00:00",""
"2242131","5.8494","0.0004","12.6458","0.0008","9.5658","0.0006","90","","104.763","0.002","90","","684.23","0.08","90","","90","","","","","","","","","5","P 1 21 1","P 2yb","4","","(-)-Methyl (<i>R</i>,<i>E</i>)-4-[(2<i>R</i>,4<i>R</i>)-2-amino-2-trichloromethyl-1,3-dioxolan-4-yl]-4-hydroxy-2-methylbut-2-enoate","","- C10 H14 Cl3 N O5 -","- C10 H14 Cl3 N O5 -","- C20 H28 Cl6 N2 O10 -","2","1","SU5377","Oishi, Takeshi; Kidena, Mayu; Sugai, Tomoya; Sato, Takaaki; Chida, Noritaka","Crystal structure of (‒)-methyl (<i>R</i>,<i>E</i>)-4-[(2<i>R</i>,4<i>R</i>)-2-amino-2-trichloromethyl-1,3-dioxolan-4-yl]-4-hydroxy-2-methylbut-2-enoate","Acta Crystallographica Section E","2017","73","7","983","986","10.1107/S2056989017008283","","","0.71073","MoKα","","0.0332","0.03","","","0.0573","0.0598","","","","","","1.063","","","","has coordinates,has Fobs","199109","2020-10-21","18:00:00",""
"2242132","7.5555","0.0003","13.0278","0.0007","9.7397","0.0005","90","","91.767","0.002","90","","958.24","0.08","153","2","153","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","2-Chloro-5-(3-hydroxy-3-methylbut-1-yn-1-yl)pyrimidine","","- C9 H9 Cl N2 O -","- C9 H9 Cl N2 O -","- C36 H36 Cl4 N8 O4 -","4","1","ZQ2237","Hübscher, Jörg; Seichter, Wilhelm; Weber, Edwin","Crystal structure of 2-chloro-5-(3-hydroxy-3-methylbut-1-yn-1-yl)pyrimidine","Acta Crystallographica Section E","2017","73","8","1172","1174","10.1107/S2056989017010027","","","0.71073","MoKα","","0.0308","0.0272","","","0.0719","0.0738","","","","","","1.074","","","","has coordinates,has Fobs","199110","2020-10-21","18:00:00",""
"2242133","6.715","0.0013","13.504","0.003","16.757","0.003","90","","90","","90","","1519.5","0.5","200","2","200","2","","","","","","","","5","P n a 21","P 2c -2n","33","","5-Benzyl-8-bromo-2-methyl[1,3]oxazolo[4,5-<i>c</i>]-1,8-naphthyridin-4(5<i>H</i>)-one","","- C17 H12 Br N3 O2 -","- C17 H12 Br N3 O2 -","- C68 H48 Br4 N12 O8 -","4","1","RZ5210","Vrijdag, Johannes; Van den Bogaert, An; De Borggraeve, Wim; Van Meervelt, Luc","Crystal structure of 5-benzyl-8-bromo-2-methyl-1,3-oxazolo[4,5-<i>c</i>][1,8]naphthyridin-4(5<i>H</i>)-one","Acta Crystallographica Section E","2017","73","5","687","690","10.1107/S2056989017005023","","","0.71073","MoKα","","0.0375","0.0274","","","0.0644","0.0687","","","","","","1.156","","","","has coordinates,has Fobs","199111","2020-10-21","18:00:00",""
"2242134","8.6885","0.0007","7.9478","0.0006","15.3417","0.001","90","","103.908","0.002","90","","1028.35","0.13","173","2","173","","","","","","","","","5","P 1 21 1","P 2yb","4","Naltrexone chloride ethanol solvate","17-(Cyclopropylmethyl)-3,14-dihydroxy-4,5a-epoxymorphinan-6-one hydrochloride ethanol monosolvate","","- C22 H30 Cl N O5 -","- C22 H30 Cl N O5 -","- C44 H60 Cl2 N2 O10 -","2","1","JJ2196","Menze, Aveary R.; Sinnott, Jefferson P.; Nazarenko, Alexander Y.","Crystal structure of naltrexone chloride solvates with ethanol, propan-2-ol, and 2-methylpropan-2-ol","Acta Crystallographica Section E","2017","73","7","1013","1020","10.1107/S205698901700843X","","","0.71073","MoKα","","0.0531","0.0381","","","0.0769","0.0824","","","","","","1.028","","","","has coordinates,has disorder,has Fobs","199113","2020-10-21","18:00:00",""
"2242135","8.0297","0.001","15.5449","0.0017","17.56","0.004","90","","90","","90","","2191.9","0.6","173","2","173","","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","naltrexone chloride i-propanol solvate","17-(Cyclopropylmethyl)-3,14-dihydroxy-4,5a-epoxymorphinan-6-one hydrochloride propan-2-ol monosolvate","","- C23 H32 Cl N O5 -","- C23 H32 Cl N O5 -","- C92 H128 Cl4 N4 O20 -","4","1","","Menze, Aveary R.; Sinnott, Jefferson P.; Nazarenko, Alexander Y.","Crystal structure of naltrexone chloride solvates with ethanol, propan-2-ol, and 2-methylpropan-2-ol","Acta Crystallographica Section E","2017","73","7","1013","1020","10.1107/S205698901700843X","","","0.71073","MoKα","","0.0632","0.0454","","","0.1052","0.1124","","","","","","1.085","","","","has coordinates,has disorder,has Fobs","199113","2020-10-21","18:00:00",""
"2242136","8.8487","0.0004","17.3281","0.0009","15.5702","0.0008","90","","92.702","0.002","90","","2384.7","0.2","173","2","173","","","","","","","","","5","P 1 21 1","P 2yb","4","naltrexone chloride t-butanol solvate","17-(Cyclopropylmethyl)-3,14-dihydroxy-4,5a-epoxymorphinan-6-one hydrochloride 2-methylpropan-2-ol monosolvate","","- C24 H34 Cl N O5 -","- C24 H34 Cl N O5 -","- C96 H136 Cl4 N4 O20 -","4","2","","Menze, Aveary R.; Sinnott, Jefferson P.; Nazarenko, Alexander Y.","Crystal structure of naltrexone chloride solvates with ethanol, propan-2-ol, and 2-methylpropan-2-ol","Acta Crystallographica Section E","2017","73","7","1013","1020","10.1107/S205698901700843X","","","1.54178","CuKα","","0.0387","0.0332","","","0.0763","0.0791","","","","","","1.044","","","","has coordinates,has Fobs","199113","2020-10-21","18:00:00",""
"2242137","8.3436","0.0004","9.7591","0.0005","10.8815","0.0006","97.905","0.004","98.142","0.004","101.576","0.004","846.59","0.08","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","<i>N</i>'-[2-(Benzo[<i>d</i>]thiazol-2-yl)acetyl]-4-methylbenzenesulfonohydrazide","","- C16 H15 N3 O3 S2 -","- C16 H15 N3 O3 S2 -","- C32 H30 N6 O6 S4 -","2","1","HG5489","Azzam, Rasha A.; Elgemeie, Galal H.; Elsayed, Rasha E.; Jones, Peter G.","Crystal structure of <i>N</i>'-[2-(benzo[<i>d</i>]thiazol-2-yl)acetyl]-4-methylbenzenesulfonohydrazide","Acta Crystallographica Section E","2017","73","7","1041","1043","10.1107/S2056989017008738","","","0.71073","MoKα","","0.0361","0.0308","","","0.0757","0.0791","","","","","","1.051","","","","has coordinates,has Fobs","199114","2020-10-21","18:00:00",""
"2242138","9.4104","0.0004","12.835","0.0004","13.0774","0.0005","90","","104.198","0.004","90","","1531.27","0.1","100","2","100","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","2-Cyano-3,3-bis(ethylthio)-<i>N</i>-<i>o</i>-tolylacrylamide","2-Cyano-3,3-bis(ethylsulfanyl)-<i>N</i>-(2-methylphenyl)prop-2-enamide","","- C15 H18 N2 O S2 -","- C15 H18 N2 O S2 -","- C60 H72 N8 O4 S8 -","4","1","HG5488","Azzam, Rasha A.; Elgemeie, Galal H.; Ramadan, Rokia; Jones, Peter G.","Crystal structure of 2-cyano-3,3-bis(ethylsulfanyl)-<i>N</i>-<i>o</i>-tolylacrylamide","Acta Crystallographica Section E","2017","73","5","752","754","10.1107/S2056989017005783","","","0.71073","MoKα","","0.0444","0.0339","","","0.076","0.0807","","","","","","1.033","","","","has coordinates,has disorder,has Fobs","199115","2020-10-21","18:00:00",""
"2242139","7.7463","0.0015","13.235","0.003","25.642","0.005","90","","90","","90","","2628.9","0.9","200","2","200","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","5-Fluorocytosinium picrate","","- C10 H7 F N6 O8 -","- C10 H7 F N6 O8 -","- C80 H56 F8 N48 O64 -","8","1","ZS2375","Mohana, Marimuthu; Thomas Muthiah, Packianathan; McMillen, Colin D.","Crystal structure and hydrogen-bonding patterns in 5-fluorocytosinium picrate","Acta Crystallographica Section E","2017","73","3","361","364","10.1107/S205698901700216X","","","0.71073","MoKα","","0.0696","0.0582","","","0.1571","0.1738","","","","","","1.087","","","","has coordinates,has Fobs","199116","2020-10-21","18:00:00",""
"2242140","11.23","0.003","17.204","0.005","18.11","0.006","90","","103.248","0.007","90","","3405.8","1.8","298","2","298","2","","","","","","","","6","C 1 c 1","C -2yc","9","(bztmpen)Ni","(Acetonitrile-κ<i>N</i>){<i>N</i>-benzyl-<i>N</i>,<i>N</i>',<i>N</i>'-Tris[(6-methylpyridin-2-yl)methyl]ethane-1,2-diamine}nickel(II) bis(tetrafluoridoborate)","","- C32 H38 B2 F8 N6 Ni -","- C32 H38 B2 F8 N6 Ni -","- C128 H152 B8 F32 N24 Ni4 -","4","1","VN2128","Chen, Lin; Ren, Gan; Guo, Yakun; Sang, Ge","Crystal structure and electrochemical properties of [Ni(bztmpen)(CH~3~CN)](BF~4~)~2~ {bztmpen is <i>N</i>-benzyl-<i>N</i>,<i>N</i>',<i>N</i>'-tris[(6-methylpyridin-2-yl)methyl]ethane-1,2-diamine}","Acta Crystallographica Section E","2017","73","6","825","828","10.1107/S2056989017006764","","","0.71073","MoKα","","0.0358","0.0346","","","0.0899","0.0918","","","","","","1.025","","","","has coordinates,has disorder,has Fobs","199117","2020-10-21","18:00:00",""
"2242141","4.8722","0.0004","12.0436","0.001","21.9803","0.0016","90","","96.353","0.008","90","","1281.86","0.18","100","2","100","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","<i>N</i>-(5-Methylthiazol-2-yl)-4-oxo-4<i>H</i>-chromene-3-carboxamide","","- C14 H10 N2 O3 S -","- C14 H10 N2 O3 S -","- C56 H40 N8 O12 S4 -","4","1","HB7689","Gomes, Ligia R.; Low, John Nicolson; Cagide, Fernando; Borges, Fernanda","Polymorphism in the structure of <i>N</i>-(5-methylthiazol-2-yl)-4-oxo-4<i>H</i>-chromene-3-carboxamide","Acta Crystallographica Section E","2017","73","8","1154","1161","10.1107/S2056989017009902","","","0.71073","MoKα","","0.1513","0.0973","","","0.2024","0.2225","","","","","","1.13","","","","has coordinates,has Fobs","199118","2020-10-21","18:00:00",""
"2242142","7.4646","0.0005","30.626","0.002","11.0869","0.0008","90","","93.232","0.002","90","","2530.6","0.3","100","2","100","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C14 H10 N2 O3 S -","- C14 H10 N2 O3 S -","- C112 H80 N16 O24 S8 -","8","2","HB7689","Gomes, Ligia R.; Low, John Nicolson; Cagide, Fernando; Borges, Fernanda","Polymorphism in the structure of <i>N</i>-(5-methylthiazol-2-yl)-4-oxo-4<i>H</i>-chromene-3-carboxamide","Acta Crystallographica Section E","2017","73","8","1154","1161","10.1107/S2056989017009902","","","0.71075","MoKα","","0.1101","0.0598","","","0.1308","0.1532","","","","","","1.078","","","","has coordinates,has Fobs","199118","2020-10-21","18:00:00",""
"2242143","8.0769","0.0009","5.6076","0.0007","18.3724","0.0018","90","","100.781","0.012","90","","817.44","0.16","153","2","153","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","<i>N</i>^2^,<i>N</i>^5^-Bis(pyridin-2-ylmethyl)pyrazine-2,5-dicarboxamide","","- C18 H16 N6 O2 -","- C18 H16 N6 O2 -","- C36 H32 N12 O4 -","2","0.5","","Cati, Dilovan S.; Stoeckli-Evans, Helen","The crystal structures of three pyrazine-2,5-dicarboxamides: three-dimensional supramolecular structures","Acta Crystallographica Section E","2017","73","5","729","734","10.1107/S2056989017005898","","","0.71073","MoKα","","0.0583","0.0316","","","0.0702","0.0756","","","","","","0.866","","","","has coordinates,has Fobs","199119","2020-10-21","18:00:00",""
"2242144","8.7271","0.0005","5.295","0.0004","20.1403","0.0013","90","","99.834","0.006","90","","917.01","0.11","293","2","293","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","3,6-Dimethyl-<i>N</i>^2^,<i>N</i>^5^-bis(pyridin-2-ylmethyl)pyrazine-2,5-dicarboxamide","","- C20 H20 N6 O2 -","- C20 H20 N6 O2 -","- C40 H40 N12 O4 -","2","0.5","","Cati, Dilovan S.; Stoeckli-Evans, Helen","The crystal structures of three pyrazine-2,5-dicarboxamides: three-dimensional supramolecular structures","Acta Crystallographica Section E","2017","73","5","729","734","10.1107/S2056989017005898","","","1.54186","CuKα","","0.0393","0.0354","","","0.0915","0.0946","","","","","","1.051","","","","has coordinates,has Fobs","199119","2020-10-21","18:00:00",""
"2242145","5.8663","0.0006","18.7539","0.0017","7.2943","0.0008","90","","101.606","0.012","90","","786.08","0.14","153","2","153","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","<i>N</i>^2^,<i>N</i>^5^-Bis(pyridin-4-ylmethyl)pyrazine-2,5-dicarboxamide","","- C18 H16 N6 O2 -","- C18 H16 N6 O2 -","- C36 H32 N12 O4 -","2","0.5","","Cati, Dilovan S.; Stoeckli-Evans, Helen","The crystal structures of three pyrazine-2,5-dicarboxamides: three-dimensional supramolecular structures","Acta Crystallographica Section E","2017","73","5","729","734","10.1107/S2056989017005898","","","0.71073","MoKα","","0.0439","0.036","","","0.0941","0.0973","","","","","","1.081","","","","has coordinates,has Fobs","199119","2020-10-21","18:00:00",""
"2242146","12.5899","0.0005","17.5691","0.0006","11.898","0.0005","90","","101.326","0.004","90","","2580.51","0.18","100","2","100","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","Bis(piperidin-1-ium) sulfate‒1,3-dimethylthiourea (1/2)","","- C16 H40 N6 O4 S3 -","- C16 H40 N6 O4 S3 -","- C64 H160 N24 O16 S12 -","4","0.5","HG5484","Döring, Cindy; Lueck, Julian F. D.; Jones, Peter G.","Crystal structure of the 1:2 adduct of bis(piperidinium) sulfate and 1,3-dimethylthiourea","Acta Crystallographica Section E","2017","73","5","651","653","10.1107/S2056989017004820","","","1.54184","CuKα","","0.0435","0.0341","","","0.0791","0.0836","","","","","","1.028","","","","has coordinates,has Fobs","199120","2020-10-21","18:00:00",""
"2242147","12.734","0.003","10.685","0.003","15.498","0.005","90","","112.83","0.02","90","","1943.5","1","293","2","293","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","Trisodium rubidium heptamagnesium hexakis(orthophosphate)","","- Mg7 Na3 O24 P6 Rb -","- Mg7 Na3 O24 P6 Rb -","- Mg28 Na12 O96 P24 Rb4 -","4","0.5","BR2264","Ben Hamed, Teycir; Boukhris, Amal; Badri, Abdessalem; Ben Amara, Mongi","Synthesis and crystal structure of a new magnesium phosphate Na~3~RbMg~7~(PO~4~)~6~","Acta Crystallographica Section E","2017","73","6","817","820","10.1107/S2056989017006363","","","0.71073","MoKα","","0.0469","0.036","","","0.0951","0.1003","","","","","","1.071","","","","has coordinates,has Fobs","199122","2020-10-21","18:00:00",""
"2242148","8.546","0.003","9.137","0.003","13.662","0.004","90","","95.984","0.006","90","","1061","0.6","100","2","100","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","8-Hydroxy-1,2,3,5,6,7-hexahydropyrido[3,2,1-<i>ij</i>]quinoline-9-carbaldehyde","","- C13 H15 N O2 -","- C13 H15 N O2 -","- C52 H60 N4 O8 -","4","1","HG5485","Faizi, Md. Serajul Haque; Dege, Necmi; Malysheva, Maria L.","Crystal structure and DFT study of 8-hydroxy-1,2,3,5,6,7-hexahydropyrido[3,2,1-<i>ij</i>]quinoline-9-carbaldehyde","Acta Crystallographica Section E","2017","73","5","791","794","10.1107/S2056989017005886","","","0.71073","MoKα","","0.0846","0.066","","","0.1878","0.2305","","","","","","1.106","","","","has coordinates,has Fobs","199123","2020-10-21","18:00:00",""
"2242149","10.428","0.002","13.961","0.002","15.49","0.002","90","","94.671","0.003","90","","2247.6","0.6","200","2","200","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","1,4,8,11-Tetraazoniacyclotetradecane bis(dichromate) monohydrate","","- C10 H30 Cr4 N4 O15 -","- C10 H30 Cr4 N4 O15 -","- C40 H120 Cr16 N16 O60 -","4","1","WM5385","Moon, Dohyun; Choi, Jong-Ha","Crystal structure of 1,4,8,11-tetraazoniacyclotetradecane bis(dichromate) monohydrate from synchrotron data","Acta Crystallographica Section E","2017","73","5","755","758","10.1107/S2056989017005771","","","0.61","synchrotron","","0.0434","0.0382","","","0.1201","0.1237","","","","","","1.085","","","","has coordinates,has Fobs","199124","2020-10-21","18:00:00",""
"2242150","10.5351","0.0004","19.1686","0.0007","22.1162","0.0008","90","","102.778","0.004","90","","4355.6","0.3","120","1","120","1","","","","","","","","3","P 1 21/n 1","-P 2yn","14","Pyrimethanil Form 2","4,6-Dimethyl-<i>N</i>-phenylpyrimidin-2-amine","","- C12 H13 N3 -","- C12 H13 N3 -","- C192 H208 N48 -","16","4","HB7679","Eberlin, Alex R.; Frampton, Christopher S.","A metastable polymorphic form of the antifungal anilinopyrimidine active pyrimethanil","Acta Crystallographica Section E","2017","73","6","886","889","10.1107/S2056989017007563","","","0.71073","MoKα","","0.1123","0.056","","","0.1174","0.1494","","","","","","1.001","","","","has coordinates,has Fobs","199125","2020-10-21","18:00:00",""
"2242151","24.1434","0.0009","10.5348","0.0004","8.9006","0.0004","90","","93.042","0.002","90","","2260.64","0.16","100","2","100","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","(<i>E</i>)-2-Hydroxy-1,2-diphenylethan-1-one oxime","","- C14 H13 N O2 -","- C14 H13 N O2 -","- C112 H104 N8 O16 -","8","1","WM5397","Reuter, Hans; Okio, Coco K. Y. A.","Crystal structure of (<i>E</i>)-2-hydroxy-1,2-diphenylethan-1-one oxime","Acta Crystallographica Section E","2017","73","7","1062","1065","10.1107/S2056989017008866","","","0.71073","MoKα","","0.0416","0.0358","","","0.084","0.0876","","","","","","1.076","","","","has coordinates,has Fobs","199126","2020-10-21","18:00:00",""
"2242152","8.387","0.0017","10.275","0.002","14.115","0.003","87.2","0.03","77.83","0.03","72.31","0.03","1132.7","0.5","173","2","173","2","","","","","","","","4","P -1","-P 1","2","","9,20-Dimethyl-1,8,12,19-tetraazatetracyclo[17.3.1.0^2,7^.0^13,18^]tricosane dihydrate","","- C21 H44 N4 O2 -","- C21 H44 N4 O2 -","- C42 H88 N8 O4 -","2","1","WM5364","Moon, Dohyun; Choi, Jong-Ha","Crystal structure of 9,20-dimethyl-1,8,12,19-tetraazatetracyclo[17.3.1.0^2,7^.0^13,18^]tricosane dihydrate from synchrotron X-ray data","Acta Crystallographica Section E","2017","73","3","387","389","10.1107/S2056989017002444","","","0.61","synchrotron","","0.0812","0.0468","","","0.1117","0.1233","","","","","","0.919","","","","has coordinates,has Fobs","199127","2020-10-21","18:00:00",""
"2242153","10.3126","0.0003","13.1138","0.0003","6.4405","0.0002","90","","90","","90","","871","0.04","296","2","296","2","","","","","","","","5","I m m a","-I 2b 2","74","","Calcium dinickel(II) iron(III) tris(orthophosphate)","","- Ca Fe Ni2 O12 P3 -","- Ca Fe Ni2 O12 P3 -","- Ca4 Fe4 Ni8 O48 P12 -","4","0.25","WM5390","Ouaatta, Said; Assani, Abderrazzak; Saadi, Mohamed; El Ammari, Lahcen","Crystal structure of calcium dinickel(II) iron(III) tris(orthophosphate): CaNi~2~Fe(PO~4~)~3~","Acta Crystallographica Section E","2017","73","6","893","895","10.1107/S2056989017007411","","","0.71073","MoKα","","0.0169","0.0166","","","0.0442","0.0443","","","","","","1.167","","","","has coordinates,has Fobs","199128","2020-10-21","18:00:00",""
"2242154","7.282","0.001","18.445","0.003","9.144","0.002","90","","96.11","0.03","90","","1221.2","0.4","299","2","299","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","tetrahydroseselin","8,8-Dimethyl-3,4,9,10-tetrahydro-2<i>H</i>,8<i>H</i>-pyrano[2,3-<i>f</i>]chromen-2-one","","- C14 H16 O3 -","- C14 H16 O3 -","- C56 H64 O12 -","4","1","ZS2379","Bauri, A. K.; Foro, S.; Rahman, A. F. M. M.","Crystal structure of tetrahydroseselin, an angular pyranocoumarin","Acta Crystallographica Section E","2017","73","8","1117","1120","10.1107/S205698901700932X","","","1.5418","CuKα","","0.0675","0.0577","","","0.1445","0.1513","","","","","","1.057","","","","has coordinates,has Fobs","199129","2020-10-21","18:00:00",""
"2242155","3.7436","0.0003","34.146","0.003","10.7528","0.0009","90","","94.799","0.008","90","","1369.7","0.2","100","2","100","","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","4-(Pyridin-3-ylethynyl)-2,2'-bipyridine","","- C17 H11 N3 -","- C17 H11 N3 -","- C68 H44 N12 -","4","1","ZS2378","Luong Thi Thu, Thuy; Nguyen Bich, Ngan; Nguyen, Hien; Van Meervelt, Luc","Crystal structures of three 4-substituted-2,2'-bipyridines synthesized by Sonogashira and Suzuki‒Miyaura cross-coupling reactions","Acta Crystallographica Section E","2017","73","4","610","615","10.1107/S2056989017004662","","","0.71073","MoKα","","0.0924","0.0828","","","0.2025","0.2083","","","","","","1.146","","","","has coordinates,has Fobs","199130","2020-10-21","18:00:00",""
"2242156","9.6951","0.0006","12.0142","0.0007","12.0376","0.0009","90","","109.552","0.008","90","","1321.28","0.16","100","","100","","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","4-(Indol-4-yl)-2,2'-bipyridine","","- C18 H13 N3 -","- C18 H13 N3 -","- C72 H52 N12 -","4","1","ZS2378","Luong Thi Thu, Thuy; Nguyen Bich, Ngan; Nguyen, Hien; Van Meervelt, Luc","Crystal structures of three 4-substituted-2,2'-bipyridines synthesized by Sonogashira and Suzuki‒Miyaura cross-coupling reactions","Acta Crystallographica Section E","2017","73","4","610","615","10.1107/S2056989017004662","","","0.71073","MoKα","","0.0437","0.0375","","","0.0905","0.0947","","","","","","1.056","","","","has coordinates,has Fobs","199130","2020-10-21","18:00:00",""
"2242157","9.8697","0.0007","12.604","0.0007","22.8414","0.0013","90","","97.89","0.006","90","","2814.5","0.3","100","","100","","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","4-(4-Methylphenylethynyl)-2,2'-bipyridine","","- C19 H14 N2 -","- C19 H14 N2 -","- C152 H112 N16 -","8","2","ZS2378","Luong Thi Thu, Thuy; Nguyen Bich, Ngan; Nguyen, Hien; Van Meervelt, Luc","Crystal structures of three 4-substituted-2,2'-bipyridines synthesized by Sonogashira and Suzuki‒Miyaura cross-coupling reactions","Acta Crystallographica Section E","2017","73","4","610","615","10.1107/S2056989017004662","","","0.71073","MoKα","","0.0898","0.0542","","","0.1275","0.1458","","","","","","1.044","","","","has coordinates,has Fobs","199130","2020-10-21","18:00:00",""
"2242158","12.9905","0.0018","12.9905","0.0018","29.942","0.006","90","","90","","90","","5052.8","1.4","298","","298","","","","","","","","","5","P 41 21 2","P 4abw 2nw","92","","(<i>S</i>)-4-Acetamido-2-[1-(3-ethoxy-4-methoxyphenyl)-2-(methylsulfonyl)ethyl]isoindoline-1,3-dione ethanol hemisolvate hemihydrate","","- C23 H28 N2 O8 S -","- C23 H28 N2 O8 S -","- C184 H224 N16 O64 S8 -","8","1","WM5386","Wu, Yun-Deng; Liu, Xiao-Hong; Xu, Jian; Zhang, Si-Han; Shen, Kun; Sun, Ling; He, Yong-Mei; Ma, Yan; Zhang, Ai-Hua","Crystal structure of an apremilast ethanol hemisolvate hemihydrate solvatomorph","Acta Crystallographica Section E","2017","73","6","821","824","10.1107/S2056989017006661","","","0.71073","MoKα","","0.1141","0.0661","","","0.1545","0.1831","","","","","","1.045","","","","has coordinates,has disorder,has Fobs","199131","2020-10-21","18:00:00",""
"2242159","7.3885","0.0009","8.072","0.001","9.2976","0.0013","69.039","0.012","89.498","0.01","75.915","0.01","500.37","0.12","100","2","100","2","","","","","","","","4","P -1","-P 1","2","","3-(1<i>H</i>-Benzotriazol-1-yl)-2-methylpropanamide","","- C10 H12 N4 O -","- C10 H12 N4 O -","- C20 H24 N8 O2 -","2","1","ZL2702","Amenta, Donna S.; Liebing, Phil; Biero, Julia E.; Sherman, Robert J.; Gilje, John W.; Edelmann, Frank T.","Synthesis and crystal structures of three new benzotriazolylpropanamides","Acta Crystallographica Section E","2017","73","6","880","885","10.1107/S2056989017007472","","","1.54184","CuKα","","0.0325","0.032","","","0.0803","0.0807","","","","","","1.106","","","","has coordinates,has Fobs","199132","2020-10-21","18:00:00",""
"2242160","5.5961","0.0011","9.3462","0.0019","10.472","0.002","109.83","0.03","90.93","0.03","97.14","0.03","510.2","0.2","133","2","133","2","","","","","","","","4","P -1","-P 1","2","","3-(2<i>H</i>-Benzotriazol-2-yl)-2-methylpropanamide","","- C10 H12 N4 O -","- C10 H12 N4 O -","- C20 H24 N8 O2 -","2","1","","Amenta, Donna S.; Liebing, Phil; Biero, Julia E.; Sherman, Robert J.; Gilje, John W.; Edelmann, Frank T.","Synthesis and crystal structures of three new benzotriazolylpropanamides","Acta Crystallographica Section E","2017","73","6","880","885","10.1107/S2056989017007472","","","0.71073","MoKα","","0.04","0.0369","","","0.0852","0.0869","","","","","","1.085","","","","has coordinates,has Fobs","199132","2020-10-21","18:00:00",""
"2242161","7.1732","0.0006","7.9945","0.0006","9.5912","0.0007","83.91","0.006","86.247","0.006","81.528","0.006","540.25","0.07","153","2","153","2","","","","","","","","4","P -1","-P 1","2","","3-(1<i>H</i>-Benzotriazol-1-yl)-<i>N</i>,<i>N</i>-dimethylpropanamide","","- C11 H14 N4 O -","- C11 H14 N4 O -","- C22 H28 N8 O2 -","2","1","","Amenta, Donna S.; Liebing, Phil; Biero, Julia E.; Sherman, Robert J.; Gilje, John W.; Edelmann, Frank T.","Synthesis and crystal structures of three new benzotriazolylpropanamides","Acta Crystallographica Section E","2017","73","6","880","885","10.1107/S2056989017007472","","","0.71073","MoKα","","0.056","0.0465","","","0.1244","0.1305","","","","","","1.031","","","","has coordinates,has Fobs","199132","2020-10-21","18:00:00",""
"2242162","11.9144","0.0016","8.3755","0.0012","30.382","0.004","90","","90","","90","","3031.8","0.7","273","2","273","2","","","","","","","","6","P b c a","-P 2ac 2ab","61","","1-(4-Bromophenyl)-2-{[5-(3-pyridinyl)-1,3,4-oxadiazol-2-yl]sulfanyl}- 1-ethanone","","- C15 H10 Br N3 O2 S -","- C15 H10 Br N3 O2 S -","- C120 H80 Br8 N24 O16 S8 -","8","1","HB7660","Bano, Huma; Hussain, Shafqat; Khan, Khalid M.; Perveen, Shahnaz; Yousuf, Sammer","Crystal structure and Hirshfeld surface analysis of 1-(4-bromophenyl)-2-{[5-(pyridin-3-yl)-1,3,4-oxadiazol-2-yl]sulfanyl}ethan-1-one","Acta Crystallographica Section E","2017","73","4","623","626","10.1107/S2056989017004819","","","0.71073","MoKα","","0.053","0.0354","","","0.093","0.1139","","","","","","1.133","","","","has coordinates,has Fobs","199133","2020-10-21","18:00:00",""
"2242163","13.2227","0.0005","17.7311","0.0006","24.0242","0.0009","79.6276","0.0012","81.2551","0.0012","89.3481","0.0012","5475.4","0.3","120","2","120","2","","","","","","","","6","P -1","-P 1","2","","Bis[2,6-bis(1-{[4-(dimethylamino)phenyl]imino-κ<i>N</i>}ethyl)pyridine-κ<i>N</i>]nickel dichloride‒dichloromethane‒water (1/2/2)","","- C52 H66 Cl6 N10 Ni O2 -","- C52 H66 Cl6 N10 Ni O2 -","- C208 H264 Cl24 N40 Ni4 O8 -","4","2","WM5402","Matthews, Morgan; Sendzik, Madison; Bruggeman, Adrienne; Kearns, Claire; Oliver, Allen G.; Babbini, Dominic C.","Synthesis and crystal structure of a disubstituted nickel(II) bis[(dimethylaminophenylimino)ethyl]pyridine chloride complex","Acta Crystallographica Section E","2017","73","8","1167","1171","10.1107/S2056989017010088","","","0.71073","MoKα","","0.0717","0.0446","","","0.1042","0.1149","","","","","","1.039","","","","has coordinates,has Fobs","199134","2020-10-21","18:00:00",""
"2242164","40.2728","0.0008","6.9679","0.0001","16.0119","0.0003","90","","92.588","0.001","90","","4488.63","0.14","210","2","210","2","","","","","","","","3","C 1 2/c 1","-C 2yc","15","","4,4'-Bis[3-(piperidin-1-yl)prop-1-yn-1-yl]-1,1'-biphenyl","","- C28 H32 N2 -","- C28 H32 N2 -","- C224 H256 N16 -","8","1","SJ5530","Walbaum, Anqi; Fifer, E. Kim; Parkin, Sean; Crooks, Peter A.","Crystal structure of 4,4'-bis[3-(piperidin-1-yl)prop-1-yn-1-yl]-1,1'-biphenyl","Acta Crystallographica Section E","2017","73","6","864","866","10.1107/S2056989017007277","","","1.54178","CuKα","","0.0419","0.038","","","0.114","0.12","","","","","","1.075","","","","has coordinates,has Fobs","199135","2020-10-21","18:00:00",""
"2242165","20.2686","0.0003","7.58016","0.00011","12.6109","0.0002","90","","107.6","0.0017","90","","1846.83","0.05","123.01","0.1","123.01","0.1","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","<i>N</i>-(2-Benzoyl-5-ethynylphenyl)quinoline-2-carboxamide","","- C25 H16 N2 O2 -","- C25 H16 N2 O2 -","- C100 H64 N8 O8 -","4","1","LH5838","Peña-Solórzano, Diana; König, Burkhard; Sierra, Cesar A.; Ochoa-Puentes, Cristian","Crystal structure of <i>N</i>-(2-benzoyl-5-ethynylphenyl)quinoline-2-carboxamide","Acta Crystallographica Section E","2017","73","4","602","605","10.1107/S2056989017004601","","","1.54184","CuKα","","0.0375","0.0341","","","0.089","0.0919","","","","","","1.049","","","","has coordinates,has Fobs","199136","2020-10-21","18:00:00",""
"2242166","6.5899","0.0002","17.6467","0.0004","8.5106","0.0002","90","","90","","90","","989.7","0.04","296","2","296","2","","","","","","","","5","P b c n","-P 2n 2ab","60","","Barium dimanganese(II) iron(III) tris(orthophosphate)","","- Ba Fe Mn2 O12 P3 -","- Ba Fe Mn2 O12 P3 -","- Ba4 Fe4 Mn8 O48 P12 -","4","0.5","WM5384","Alhakmi, Ghaleb; Assani, Abderrazzak; Saadi, Mohamed; El Ammari, Lahcen","Crystal structures of two alkaline earth (<i>M</i> = Ba and Sr) dimanganese(II) iron(III) tris(orthophosphates)","Acta Crystallographica Section E","2017","73","5","767","770","10.1107/S2056989017006120","","","0.71073","MoKα","","0.0221","0.0175","","","0.0423","0.0439","","","","","","1.052","","","","has coordinates,has Fobs","199137","2020-10-21","18:00:00",""
"2242167","6.4304","0.0003","17.8462","0.0007","8.4906","0.0003","90","","90","","90","","974.37","0.07","296","2","296","2","","","","","","","","5","P b c n","-P 2n 2ab","60","","Strontium dimanganese(II) iron(III) tris(orthophosphate)","","- Fe Mn2 O12 P3 Sr -","- Fe Mn2 O12 P3 Sr -","- Fe4 Mn8 O48 P12 Sr4 -","4","0.5","WM5384","Alhakmi, Ghaleb; Assani, Abderrazzak; Saadi, Mohamed; El Ammari, Lahcen","Crystal structures of two alkaline earth (<i>M</i> = Ba and Sr) dimanganese(II) iron(III) tris(orthophosphates)","Acta Crystallographica Section E","2017","73","5","767","770","10.1107/S2056989017006120","","","0.71073","MoKα","","0.0252","0.0208","","","0.0466","0.0479","","","","","","1.081","","","","has coordinates,has Fobs","199137","2020-10-21","18:00:00",""
"2242168","15.1154","0.0005","8.7269","0.0003","16.1675","0.0006","90","","108.156","0.001","90","","2026.48","0.12","100","2","100","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","1,1-Dimethylhydrazinium tetraphoshonoatotrizincate(II)","","- C4 H22 N4 O12 P4 Zn3 -","- C4 H22 N4 O12 P4 Zn3 -","- C16 H88 N16 O48 P16 Zn12 -","4","0.5","SJ5526","Katinaitė, Judita; Harrison, William T. A.","The crystal structure of (C~2~H~9~N~2~)~2~[Zn~3~(HPO~3~)~4~], a three-dimensional zincophosphite framework containing 16-membered rings templated by the unsymmetrical dimethyl hydrazinium cation","Acta Crystallographica Section E","2017","73","5","759","762","10.1107/S2056989017005758","","","0.71073","MoKα","","0.0792","0.0679","","","0.1964","0.2392","","","","","","1.215","","","","has coordinates,has Fobs","199138","2020-10-21","18:00:00",""
"2242169","11.8581","0.0002","28.5087","0.0004","12.0272","0.0002","90","","104.934","0.0017","90","","3928.57","0.11","100","2","100","2","","","","","","","","8","P 1 21/c 1","-P 2ybc","14","","Chlorido[1-(4-nitrophenyl)thiourea-κ<i>S</i>]\ bis(triphenylphosphane-κ<i>P</i>)silver(I)","","- C43 H37 Ag Cl N3 O2 P2 S -","- C43 H37 Ag Cl N3 O2 P2 S -","- C172 H148 Ag4 Cl4 N12 O8 P8 S4 -","4","1","LH5841","Nimthong-Roldán, Arunpatcha; Sripa, Paramee; Wattanakanjana, Yupa","Crystal structure of chlorido[1-(4-nitrophenyl)thiourea-κ<i>S</i>]bis(triphenylphosphane-κ<i>P</i>)silver(I)","Acta Crystallographica Section E","2017","73","6","829","831","10.1107/S2056989017006405","","","1.54178","CuKα","","0.0272","0.0268","","","0.067","0.0675","","","","","","1.075","","","","has coordinates,has Fobs","199139","2020-10-21","18:00:00",""
"2242170","6.2584","0.0001","10.1734","0.0002","18.7183","0.0003","90","","90","","90","","1191.78","0.04","200","2","200","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","2-(5-Chloro-2-oxoindolin-3-ylidene)-<i>N</i>-methylhydrazinecarbothioamide","","- C10 H9 Cl N4 O S -","- C10 H9 Cl N4 O S -","- C40 H36 Cl4 N16 O4 S4 -","4","1","","Velasques, Jecika Maciel; Gervini, Vanessa Carratu; Kickofel, Lisliane; de Farias, Renan Lira; de Oliveira, Adriano Bof","Hirshfeld analysis and molecular docking with the RDR enzyme of 2-(5-chloro-2-oxoindolin-3-ylidene)-<i>N</i>-methylhydrazinecarbothioamide","Acta Crystallographica Section E","2017","73","5","702","707","10.1107/S2056989017005461","","","0.71073","MoKα","","0.021","0.0204","","","0.0556","0.0563","","","","","","1.049","","","","has coordinates,has Fobs","199140","2020-10-21","18:00:00",""
"2242171","10.3489","0.0006","14.3664","0.0008","21.4619","0.0013","90","","90","","90","","3190.9","0.3","120","2","119.99","","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","({(1<i>R</i>,2<i>R</i>)-<i>N</i>^1^,<i>N</i>^2^-Bis[(quinolin-2-yl)methyl]cyclohexane-1,2-diamine}chloridoiron(III))-μ-oxido-[trichloridoferrate(III)] chloroform monosolvate","","- C27 H29 Cl7 Fe2 N4 O -","- C27 H29 Cl7 Fe2 N4 O -","- C108 H116 Cl28 Fe8 N16 O4 -","4","1","HB7682","Swift, Hannah; Carrig, Molly W.; Oshin, Kayode D.; Vinokur, Anastasiya I.; Desper, John A.; Levy, Christopher J.","Crystal structure of ({(1<i>R</i>,2<i>R</i>)-<i>N</i>,<i>N</i>'-bis[(quinolin-2-yl)methyl]cyclohexane-1,2-diamine}chloridoiron(III))-μ-oxido-[trichloridoferrate(III)] chloroform monosolvate","Acta Crystallographica Section E","2017","73","7","936","940","10.1107/S2056989017007952","","","0.71073","MoKα","","0.0502","0.0369","","","0.0768","0.0816","","","","","","1.05","","","","has coordinates,has disorder,has Fobs","199141","2020-10-21","18:00:00",""
"2242172","4.2713","0.0006","35.792","0.005","5.9516","0.0009","90","","93.326","0.002","90","","908.3","0.2","120","2","120","2","","","","","","","","4","P 1 21/m 1","-P 2yb","11","","(1<i>E</i>,1'<i>E</i>)-1,1'-(Pyridine-2,6-diyl)bis[<i>N</i>-(2,3,4,5,6-pentafluorophenyl)ethan-1-imine]","","- C21 H9 F10 N3 -","- C21 H9 F10 N3 -","- C42 H18 F20 N6 -","2","0.5","SU5374","Boyle, Jenna; Breakfield, Catherine; Buck, Leah; McMahon, Catherine; Babbini, Dominic C.","Crystal structure of (1<i>E</i>,1'<i>E</i>)-1,1'-(pyridine-2,6-diyl)bis[<i>N</i>-(2,3,4,5,6-pentafluorophenyl)ethan-1-imine]","Acta Crystallographica Section E","2017","73","7","954","956","10.1107/S2056989017008040","","","0.71073","MoKα","","0.0397","0.0335","","","0.0826","0.0875","","","","","","1.066","","","","has coordinates,has Fobs","199142","2020-10-21","18:00:00",""
"2242173","8.59","0.0017","10.45","0.002","20.67","0.004","90","","98.45","0.03","90","","1835.3","0.6","100","2","100","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","Dimethyl 4-ethyl-1,4,5,6,7,8-hexahydroazonino[5,6-<i>b</i>]indole-2,3-dicarboxylate","","- C20 H24 N2 O4 -","- C20 H24 N2 O4 -","- C80 H96 N8 O16 -","4","1","HB7645","Nguyen, Van Tuyen; Sorokina, Elena A.; Listratova, Anna V.; Voskressensky, Leonid G.; Lobanov, Nikolai N.; Dorovatovskii, Pavel V.; Zubavichus, Yan V.; Khrustalev, Victor N.","Ring-expansion synthesis and crystal structure of dimethyl 4-ethyl-1,4,5,6,7,8-hexahydroazonino[5,6-<i>b</i>]indole-2,3-dicarboxylate","Acta Crystallographica Section E","2017","73","3","338","340","10.1107/S205698901700161X","","","0.9699","synchrotron","","0.0619","0.0458","","","0.1104","0.1221","","","","","","1.006","","","","has coordinates,has Fobs","199143","2020-10-21","18:00:00",""
"2242174","17.2445","0.0006","14.1398","0.0005","19.6452","0.0007","90","","93.3307","0.0012","90","","4782.1","0.3","100","2","100","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","[Co(T(N-18C6)PP)]","(5-{3-[(1,4,7,10,13-Pentaoxa-16-azacyclooctadecan-16-yl)carbonylamino]phenyl}- 10,15,20-triphenylporphyrinato)cobalt(II)","","- C57 H52 Co N6 O6 -","- C57 H52 Co N6 O6 -","- C228 H208 Co4 N24 O24 -","4","1","QM2115","Wu, Qi; He, Mingrui; Li, Jianfeng","Crystal structure of (5-{3-[(1,4,7,10,13-pentaoxa-16-azacyclooctadecan-16-yl)carbonylamino]phenyl}-10,15,20-triphenylporphyrinato)cobalt(II)","Acta Crystallographica Section E","2017","73","7","963","966","10.1107/S2056989017007745","","","0.71073","MoKα","","0.0565","0.0429","","","0.0988","0.1057","","","","","","1.056","","","","has coordinates,has Fobs","199144","2020-10-21","18:00:00",""
"2242175","9.1456","0.001","10.586","0.0008","19.974","0.002","90","","97.11","0.009","90","","1918.9","0.3","173","2","173","2","","","","","","","","4","P 1 21 1","P 2yb","4","","1,3-Bis{(<i>E</i>)-[4-(dimethylamino)benzylidene]amino}propan-2-ol","","- C21 H28 N4 O -","- C21 H28 N4 O -","- C84 H112 N16 O4 -","4","2","SJ5528","Rivera, Augusto; Miranda-Carvajal, Ingrid; Ríos-Motta, Jaime; Bolte, Michael","1,3-Bis{(<i>E</i>)-[4-(dimethylamino)benzylidene]amino}propan-2-ol: chain structure formation <i>via</i> an O—H···N hydrogen bond","Acta Crystallographica Section E","2017","73","6","813","816","10.1107/S2056989017006429","","","0.71073","MoKα","","0.1216","0.0634","","","0.1322","0.1555","","","","","","0.93","","","","has coordinates,has Fobs","199145","2020-10-21","18:00:00",""
"2242176","9.514","0.002","9.87","0.003","9.883","0.003","64.609","0.006","87.539","0.007","86.66","0.007","836.8","0.4","173","2","173","2","","","","","","","","5","P -1","-P 1","2","","Triphenylphosphoniummethylenetrifluoroborate","","- C19 H17 B F3 P -","- C19 H17 B F3 P -","- C38 H34 B2 F6 P2 -","2","1","LH5846","Bateman, Christopher M.; Zakharov, Lev N.; Abbey, Eric R.","Crystal structure of triphenylphosphoniummethylenetrifluoroborate","Acta Crystallographica Section E","2017","73","8","1140","1142","10.1107/S2056989017009884","","","0.71073","MoKα","","0.0758","0.0405","","","0.0827","0.0941","","","","","","1.023","","","","has coordinates,has Fobs","199146","2020-10-21","18:00:00",""
"2242177","7.1123","0.0002","7.7841","0.0002","13.3011","0.0005","87.604","0.003","84.299","0.003","72.447","0.003","698.57","0.04","100","2","100","","","","","","","","","5","P -1","-P 1","2","<i>N</i>'-[1-(5-Bromo-2-hydroxyphenyl)ethylidene]isonicotinohydrazide monohydrate","<i>N</i>'-[(1<i>E</i>)-1-(5-Bromo-2-hydroxyphenyl)ethylidene]pyridine-4-carbohydrazide monohydrate","","- C14 H14 Br N3 O3 -","- C14 H14 Br N3 O3 -","- C28 H28 Br2 N6 O6 -","2","1","HB7669","Lee, See Mun; Halcovitch, Nathan R.; Jotani, Mukesh M.; Tiekink, Edward R. T.","<i>N</i>'-[1-(5-Bromo-2-hydroxyphenyl)ethylidene]isonicotinohydrazide monohydrate: crystal structure and Hirshfeld surface analysis","Acta Crystallographica Section E","2017","73","4","630","636","10.1107/S2056989017004790","","","1.54184","CuKα","","0.0276","0.0268","","","0.0722","0.073","","","","","","1.059","","","","has coordinates,has Fobs","199147","2020-10-21","18:00:00",""
"2242178","18.4079","0.0007","14.0001","0.0005","19.9387","0.0007","90","","106.531","0.001","90","","4926.1","0.3","100","","100.01","","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","{1,1'-Bis[(pyridin-2-yl)methyl]-2,2'-bipiperidyl}(perchlorato)copper(II) perchlorate","","- C22 H30 Cl2 Cu N4 O8 -","- C22 H30 Cl2 Cu N4 O8 -","- C176 H240 Cl16 Cu8 N32 O64 -","8","2","ZL2706","Yang, Guang; Rybak-Akimova, Elena V.; Campana, Charles","{1,1'-Bis[(pyridin-2-yl)methyl]-2,2'-bipiperidyl}(perchlorato)copper(II) perchlorate","Acta Crystallographica Section E","2017","73","7","1082","1086","10.1107/S2056989017009410","","","0.71073","MoKα","","0.0614","0.0378","","","0.0825","0.0909","","","","","","1.035","","","","has coordinates,has Fobs","199148","2020-10-21","18:00:00",""
"2242179","5.7011","0.0004","15.4836","0.001","16.2128","0.001","90","","90","","90","","1431.16","0.16","296","1","296","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","(<i>E</i>)-4-Amino-<i>N</i>'-[1-(4-methylphenyl)ethylidene]benzohydrazide","","- C16 H17 N3 O -","- C16 H17 N3 O -","- C64 H68 N12 O4 -","4","1","ZS2381","Sivajeyanthi, Palaniyappan; Jeevaraj, Muthaiah; Edison, Bellarmin; Balasubramani, Kasthuri","Crystal structure and Hirshfeld surface analysis of (<i>E</i>)-4-amino-<i>N</i>'-[1-(4-methylphenyl)ethylidene]benzohydrazide","Acta Crystallographica Section E","2017","73","7","1029","1032","10.1107/S205698901700857X","","","0.71073","MoKα","","0.0616","0.0453","","","0.123","0.1413","","","","","","1.048","","","","has coordinates,has Fobs","199149","2020-10-21","18:00:00",""
"2242180","16.0002","0.0003","19.389","0.0002","19.1631","0.0003","90","","100.073","0.0018","90","","5853.3","0.16","123","2","123","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","Tris(μ~2~-methanolato)-μ~3~-oxido-tris[(<i>E</i>)-4-chloro-2-({[2-(pyridin-2-yl)ethyl]imino}methyl)phenolato]manganese(III) perchlorate‒dichloromethane‒diethyl ether (1/1.096/0.906)","","- C49.71 H56.23 Cl6.19 Mn3 N6 O11.9 -","- C49.7122 H56.2324 Cl6.1924 Mn3 N6 O11.904 -","- C198.849 H224.93 Cl24.7696 Mn12 N24 O47.616 -","4","1","ZL2705","Egekenze, Rita; Gultneh, Yilma; Butcher, Ray J.","Tris(μ~2~-methanolato)-μ~3~-oxido-tris{[(<i>E</i>)-4-chloro-2-({[2-(pyridin-2-yl)ethyl]imino}methyl)phenolato]manganese(III)} perchlorate‒dichloromethane‒diethyl ether (1/1.1/0.9)","Acta Crystallographica Section E","2017","73","8","1113","1116","10.1107/S2056989017008982","","","0.71073","MoKα","","0.1258","0.0707","","","0.1433","0.1664","","","","","","1.081","","","","has coordinates,has disorder,has Fobs","199150","2020-10-21","18:00:00",""
"2242181","5.4143","0.0002","5.4176","0.0002","11.92","0.0005","90","","90.977","0.001","90","","349.59","0.02","298","2","298","2","","","","","","","","3","P 1 21 1","P 2yb","4","","(4<i>S</i>,5<i>R</i>,6<i>S</i>)-4,5,6-Trihydroxy-3-methylcyclohex-2-enone","","- C7 H10 O4 -","- C7 H10 O4 -","- C14 H20 O8 -","2","1","RZ5209","Tibhe, Gaurao D.; Macías, Mario A.; Pandolfi, Enrique; Schapiro, Valeria; Suescun, Leopoldo","Crystal structure and absolute configuration of (4<i>S</i>,5<i>R</i>,6<i>S</i>)-4,5,6-trihydroxy-3-methylcyclohex-2-enone (gabosine H)","Acta Crystallographica Section E","2017","73","4","606","609","10.1107/S2056989017004509","","","1.54178","CuKα","","0.0333","0.033","","","0.0874","0.0877","","","","","","1.079","","","","has coordinates,has Fobs","199151","2020-10-21","18:00:00",""
"2242182","11.872","0.003","15.165","0.004","5.6079","0.0011","90","","91.41","0.02","90","","1009.3","0.4","100","2","100","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","Hydroxy-phenyl-acetic acid isopropyl ester","Isopropyl 2-hydroxy-2-phenylacetate","","- C11 H14 O3 -","- C11 H14 O3 -","- C44 H56 O12 -","4","1","","Isaiev, Ivan; Shishkina, Svitlana; Ukrainets, Igor; Bevz, Elena","Crystal structure of isopropyl 2-hydroxy-2-phenylacetate: a pharmacopoeia reference standard","Acta Crystallographica Section E","2017","73","5","771","773","10.1107/S2056989017005862","","","0.71073","MoKα","","0.1599","0.09","","","0.2243","0.2545","","","","","","1.033","","","","has coordinates,has Fobs","199152","2020-10-21","18:00:00",""
"2242183","7.1975","0.001","11.448","0.002","9.645","0.002","90","","96.39","0.03","90","","789.8","0.2","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","2,4-Bis(dimethylamino)-1,3-diethylcyclodiphosphazane-2,4-dithione","2,4-Bis(dimethylamino)-1,3-diethyl-1,3,2λ^5^,4λ^5^-diazadiphosphetidine-2,4-dithione","","- C8 H22 N4 P2 S2 -","- C8 H22 N4 P2 S2 -","- C16 H44 N8 P4 S4 -","2","0.5","PK2598","Issaoui, Chokri; Chebbi, Hammouda; Alouani, Khaled; Guesmi, Abderrahmen","Crystal structure and Hirshfeld surface analysis of the new cyclodiphosphazane [EtNP(S)NMe~2~]~2~","Acta Crystallographica Section E","2017","73","5","682","686","10.1107/S2056989017005187","","","0.71073","MoKα","","0.0479","0.0405","","","0.1194","0.1267","","","","","","1.084","","","","has coordinates,has Fobs","199153","2020-10-21","18:00:00",""
"2242184","30.6365","0.0016","5.0149","0.0003","8.9393","0.0005","90","","93.98","0.003","90","","1370.11","0.13","173","2","173","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","<i>N</i>,<i>N</i>'-Didecylpyromellitic diimide","2,6-Didecylpyrrolo[3,4-<i>f</i>]isoindole-1,3,5,7(2<i>H</i>,6<i>H</i>)-tetraone","","- C30 H44 N2 O4 -","- C30 H44 N2 O4 -","- C60 H88 N4 O8 -","2","0.5","","Im, Hansu; Choi, Myong Yong; Moon, Cheol Joo; Kim, Tae Ho","Crystal structure of <i>N</i>,<i>N</i>'-didecylpyromellitic diimide","Acta Crystallographica Section E","2017","73","6","838","841","10.1107/S2056989017006867","","","0.71073","MoKα","","0.0461","0.0409","","","0.1098","0.1133","","","","","","1.092","","","","has coordinates,has Fobs","199154","2020-10-21","18:00:00",""
"2242185","8.9901","0.0005","12.0059","0.0007","14.957","0.0009","90","","91.719","0.003","90","","1613.65","0.16","120","2","120","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","Bis(tetramethylammonium) tetrachloridocuprate(II)","","- C8 H24 Cl4 Cu N2 -","- C8 H24 Cl4 Cu N2 -","- C32 H96 Cl16 Cu4 N8 -","4","1","IS5469","Seck, Gorgui Awa; Diop, Libasse; Oliver, Allen G.","Crystal structure of the monoclinic phase (phase IV) of bis(tetramethylammonium) tetrachloridocuprate(II)","Acta Crystallographica Section E","2017","73","3","358","360","10.1107/S2056989017002146","","","0.71073","MoKα","","0.0988","0.0657","","","0.1309","0.1408","","","","","","1.117","","","","has coordinates,has Fobs","199155","2020-10-21","18:00:00",""
"2242186","7.119","0.001","8.519","0.001","13.366","0.002","105.34","0.02","90.45","0.01","103.38","0.02","758.4","0.2","299","2","299","2","","","","","","","","4","P -1","-P 1","2","Dibromo Methoxy Seselin (DBMS)","<i>rac</i>-(9<i>S</i>,10<i>R</i>)-3,9-Dibromo-10-methoxy-8,8-dimethyl-9,10-dihydropyrano[2,3-<i>h</i>]chromen-2(8<i>H</i>)-one","","- C15 H14 Br2 O4 -","- C15 H14 Br2 O4 -","- C30 H28 Br4 O8 -","2","1","LH5842","Bauri, A. K.; Foro, Sabine; Rahman, A. F. M. M.","Crystal structure of dibromomethoxyseselin (DBMS), a photobiologically active pyranocoumarin","Acta Crystallographica Section E","2017","73","5","774","776","10.1107/S2056989017006132","","","0.71073","MoKα","","0.0535","0.0347","","","0.1024","0.1162","","","","","","0.849","","","","has coordinates,has Fobs","199156","2020-10-21","18:00:00",""
"2242187","9.6205","0.0003","10.8252","0.0003","11.5073","0.0003","97.836","0.002","102.72","0.002","95.047","0.002","1149.42","0.06","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","<i>N</i>-(4-Oxo-2-sulfanylidene-1,3-thiazolidin-3-yl)-2-(thiophen-3-yl)acetamide","","- C9 H8 N2 O2 S3 -","- C9 H8 N2 O2 S3 -","- C36 H32 N8 O8 S12 -","4","2","HB7673","Vu Quoc, Trung; Nguyen Ngoc, Linh; Nguyen Tien, Cong; Thang Pham, Chien; Van Meervelt, Luc","Crystal structure of <i>N</i>-(4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl)-2-(thiophen-3-yl)acetamide","Acta Crystallographica Section E","2017","73","6","901","904","10.1107/S2056989017007629","","","0.71073","MoKα","","0.0453","0.0318","","","0.0711","0.077","","","","","","1.034","","","","has coordinates,has disorder,has Fobs","199157","2020-10-21","18:00:00",""
"2242188","7.3036","0.001","7.2045","0.001","14.009","0.002","90","","94.736","0.004","90","","734.62","0.18","200","2","200","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","5-Fluoroisatin-3-oxime","(3<i>Z</i>)-5-Fluoro-3-(hydroxyimino)indolin-2-one","","- C8 H5 F N2 O2 -","- C8 H5 F N2 O2 -","- C32 H20 F4 N8 O8 -","4","1","RZ5215","Martins, Bianca Barreto; Bresolin, Leandro; de Farias, Renan Lira; de Oliveira, Adriano Bof; Gervini, Vanessa Carratu","Crystal structure, Hirshfeld analysis and molecular docking with the vascular endothelial growth factor receptor-2 of (3<i>Z</i>)-5-fluoro-3-(hydroxyimino)indolin-2-one","Acta Crystallographica Section E","2017","73","7","987","992","10.1107/S2056989017008301","","","0.71073","MoKα","","0.0567","0.0404","","","0.0963","0.1082","","","","","","1.053","","","","has coordinates,has Fobs","199158","2020-10-21","18:00:00",""
"2242189","7.8555","0.0003","10.2748","0.0005","14.939","0.0007","90","","92.397","0.002","90","","1204.73","0.09","296","","296","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","(<i>E</i>)-<i>N</i>'-(3-Fluoro-2-hydroxybenzylidene)isonicotinohydrazide","","- C13 H10 F N3 O2 -","- C13 H10 F N3 O2 -","- C52 H40 F4 N12 O8 -","4","1","SU5379","Jiajaroen, Suwadee; Chainok, Kittipong; Kielar, Filip","Crystal structure of (<i>E</i>)-<i>N</i>'-(3-fluoro-2-hydroxybenzylidene)isonicotinohydrazide","Acta Crystallographica Section E","2017","73","8","1151","1153","10.1107/S2056989017009926","","","0.71073","MoKα","","0.0623","0.0378","","","0.0885","0.1001","","","","","","1.043","","","","has coordinates,has Fobs","199159","2020-10-21","18:00:00",""
"2242190","9.8002","0.0004","10.6791","0.0005","10.6986","0.0004","111.364","0.004","102.346","0.003","111.311","0.004","890.75","0.09","150","","150","","","","","","","","","5","P -1","-P 1","2","","1-(2-Hydroxybenzyl)-2-(2-hydroxyphenyl)-1<i>H</i>-benzimidazol-3-ium chloride","","- C20 H17 Cl N2 O2 -","- C20 H17 Cl N2 O2 -","- C40 H34 Cl2 N4 O4 -","2","1","YK2108","Khan, Tuhin; Mishra, Navneet; Mhatre, Darshan S.; Datta, Anindya","Crystal structure and UV spectra of a 1,2-disubstituted benzimidazolium chloride","Acta Crystallographica Section E","2017","73","8","1143","1147","10.1107/S205698901700977X","","","0.71073","MoKα","","0.0492","0.0392","","","0.0971","0.1048","","","","","","1.044","","","","has coordinates,has Fobs","199160","2020-10-21","18:00:00",""
"2242191","13.2246","0.001","10.304","0.0008","11.7402","0.0009","90","","101.703","0.001","90","","1566.5","0.2","150","2","150","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","3-Aminopyridinium 1'-carboxyferrocene-1-carboxylate","","- C17 H16 Fe N2 O4 -","- C17 H16 Fe N2 O4 -","- C68 H64 Fe4 N8 O16 -","4","1","WM5388","Medved'ko, Aleksei V.; Churakov, Andrei V.; Yu, Haojie; Li, Wang; Vatsadze, Sergey Z.","Crystal structure of 3-aminopyridinium 1'-carboxyferrocene-1-carboxylate","Acta Crystallographica Section E","2017","73","6","856","858","10.1107/S2056989017007058","","","0.71073","MoKα","","0.0366","0.0271","","","0.0676","0.0726","","","","","","1.026","","","","has coordinates,has Fobs","199161","2020-10-21","18:00:00",""
"2242192","8.7203","0.0012","20.124","0.003","19.526","0.003","90","","100.405","0.002","90","","3370.2","0.9","150","2","150","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","<i>cis</i>-(<i>N</i>-{2-[2,6-bis(propan-2-yl)phenylimino]pentan-3-ylidene}-\ 2,6-bis(propan-2-yl)aniline)dichloridopalladium(II) 1,2-dichloroethane monosolvate","","- C31 H46 Cl4 N2 Pd -","- C31 H46 Cl4 N2 Pd -","- C124 H184 Cl16 N8 Pd4 -","4","1","NK2238","Ellandula, Shravan Kumar; Opoku Amoako, Cosmos; Mague, Joel T.; Chandrasekaran, Perumalreddy","Crystal structure of unsymmetrical α-diimine palladium(II) complex <i>cis</i>-[{ArN=C(Me)‒(Et)C=NAr}PdCl~2~] [Ar = 2,6-(iPr)~2~C~6~H~3~]","Acta Crystallographica Section E","2017","73","8","1148","1150","10.1107/S2056989017009616","","","0.71073","MoKα","","0.0526","0.0362","","","0.0763","0.0841","","","","","","1.023","","","","has coordinates,has disorder,has Fobs","199162","2020-10-21","18:00:00",""
"2242193","6.364","0.0017","9.627","0.003","6.8627","0.0018","90","","101.805","0.004","90","","411.6","0.2","173","2","173","2","","","","","","","","4","P 1 21 1","P 2yb","4","","Bis[(1<i>H</i>-tetrazol-5-yl)methyl]nitramide","","- C4 H6 N10 O2 -","- C4 H6 N10 O2 -","- C8 H12 N20 O4 -","2","1","LH5843","Mitchell, Lauren A.; Imler, Gregory H.; Parrish, Damon A.; Deschamps, Jeffrey R.; Leonard, Philip W.; Chavez, David E.","Crystal structures of the three closely related compounds: bis[(1<i>H</i>-tetrazol-5-yl)methyl]nitramide, triaminoguanidinium 5-({[(1<i>H</i>-tetrazol-5-yl)methyl](nitro)amino}methyl)tetrazol-1-ide, and diammonium bis[(tetrazol-1-id-5-yl)methyl]nitramide monohydrate","Acta Crystallographica Section E","2017","73","7","1056","1061","10.1107/S2056989017008817","","","0.71073","MoKα","","0.042","0.0362","","","0.0965","0.1022","","","","","","1.144","","","","has coordinates,has Fobs","199163","2020-10-21","18:00:00",""
"2242194","6.5312","0.0011","12.682","0.002","16.183","0.003","90","","97.118","0.003","90","","1330.1","0.4","100","2","100","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","Triaminoguanidinium 5-({[(1<i>H</i>-tetrazol-5-yl)methyl](nitro)amino}methyl)tetrazol-1-ide","","- C5 H14 N16 O2 -","- C5 H14 N16 O2 -","- C20 H56 N64 O8 -","4","1","LH5843","Mitchell, Lauren A.; Imler, Gregory H.; Parrish, Damon A.; Deschamps, Jeffrey R.; Leonard, Philip W.; Chavez, David E.","Crystal structures of the three closely related compounds: bis[(1<i>H</i>-tetrazol-5-yl)methyl]nitramide, triaminoguanidinium 5-({[(1<i>H</i>-tetrazol-5-yl)methyl](nitro)amino}methyl)tetrazol-1-ide, and diammonium bis[(tetrazol-1-id-5-yl)methyl]nitramide monohydrate","Acta Crystallographica Section E","2017","73","7","1056","1061","10.1107/S2056989017008817","","","0.71073","MoKα","","0.0541","0.037","","","0.0841","0.0932","","","","","","0.996","","","","has coordinates,has Fobs","199163","2020-10-21","18:00:00",""
"2242195","7.5893","0.0011","7.6077","0.0011","11.2319","0.0015","85.564","0.004","85.555","0.004","65.007","0.004","585.29","0.14","296","2","296","2","","","","","","","","4","P -1","-P 1","2","","Diammonium bis[(tetrazol-1-id-5-yl)methyl]nitramide monohydrate","","- C4 H14 N12 O3 -","- C4 H14 N12 O3 -","- C8 H28 N24 O6 -","2","1","LH5843","Mitchell, Lauren A.; Imler, Gregory H.; Parrish, Damon A.; Deschamps, Jeffrey R.; Leonard, Philip W.; Chavez, David E.","Crystal structures of the three closely related compounds: bis[(1<i>H</i>-tetrazol-5-yl)methyl]nitramide, triaminoguanidinium 5-({[(1<i>H</i>-tetrazol-5-yl)methyl](nitro)amino}methyl)tetrazol-1-ide, and diammonium bis[(tetrazol-1-id-5-yl)methyl]nitramide monohydrate","Acta Crystallographica Section E","2017","73","7","1056","1061","10.1107/S2056989017008817","","","0.71073","MoKα","","0.0373","0.0359","","","0.1042","0.1056","","","","","","1.115","","","","has coordinates,has Fobs","199163","2020-10-21","18:00:00",""
"2242196","10.9732","0.0002","19.4127","0.0003","22.1186","0.0002","114.172","0.0011","90.2641","0.0014","92.5256","0.0013","4293.07","0.12","150","2","150","2","","","","","","","","5","P -1","-P 1","2","","[1,2-Bis(diphenylphosphanyl)benzene]heptacarbonyldi-μ-hydrido-(μ~3~-2,4,6-trimethylphenylphosphinidene)-<i>triangulo</i>-triruthenium","","- C46 H37 O7 P3 Ru3 -","- C46 H37 O7 P3 Ru3 -","- C184 H148 O28 P12 Ru12 -","4","2","IS5476","Kakizawa, Taeko","Crystal structure of [1,2-bis(diphenylphosphanyl)benzene]heptacarbonyldi-μ-hydrido-(μ~3~-2,4,6-trimethylphenylphosphinidene)-<i>triangulo</i>-triruthenium","Acta Crystallographica Section E","2017","73","7","945","948","10.1107/S2056989017007770","","","0.71069","MoKα","","0.0659","0.0571","","","0.1385","0.1461","","","","","","1.146","","","","has coordinates,has Fobs","199164","2020-10-21","18:00:00",""
"2242197","8.2223","0.0003","14.1546","0.0005","12.7933","0.0004","90","","91.188","0.001","90","","1488.61","0.09","100","2","100","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","3,5-Dichloro-<i>N</i>-(2,3-dimethylphenyl)benzenesulfonamide","","- C14 H13 Cl2 N O2 S -","- C14 H13 Cl2 N O2 S -","- C56 H52 Cl8 N4 O8 S4 -","4","1","","Shakuntala, K.; Naveen, S.; Lokanath, N. K.; Suchetan, P. A.","Crystal structures of isomeric 3,5-dichloro-<i>N</i>-(2,3-dimethylphenyl)benzenesulfonamide, 3,5-dichloro-<i>N</i>-(2,6-dimethylphenyl)benzenesulfonamide and 3,5-dichloro-<i>N</i>-(3,5-dimethylphenyl)benzenesulfonamide","Acta Crystallographica Section E","2017","73","5","673","677","10.1107/S2056989017005230","","","1.54178","CuKα","","0.058","0.0572","","","0.16","0.1615","","","","","","1.069","","","","has coordinates,has Fobs","199165","2020-10-21","18:00:00",""
"2242198","8.4817","0.0015","8.6149","0.0015","12.167","0.002","109.875","0.005","91.9","0.005","114.19","0.005","747.1","0.2","100","2","100","2","","","","","","","","6","P -1","-P 1","2","","3,5-Dichloro-<i>N</i>-(2,6-dimethylphenyl)benzenesulfonamide","","- C14 H13 Cl2 N O2 S -","- C14 H13 Cl2 N O2 S -","- C28 H26 Cl4 N2 O4 S2 -","2","1","","Shakuntala, K.; Naveen, S.; Lokanath, N. K.; Suchetan, P. A.","Crystal structures of isomeric 3,5-dichloro-<i>N</i>-(2,3-dimethylphenyl)benzenesulfonamide, 3,5-dichloro-<i>N</i>-(2,6-dimethylphenyl)benzenesulfonamide and 3,5-dichloro-<i>N</i>-(3,5-dimethylphenyl)benzenesulfonamide","Acta Crystallographica Section E","2017","73","5","673","677","10.1107/S2056989017005230","","","1.54178","CuKα","","0.1489","0.074","","","0.2218","0.2325","","","","","","1.018","","","","has coordinates,has Fobs","199165","2020-10-21","18:00:00",""
"2242199","12.2268","0.0006","7.0399","0.0003","17.313","0.0008","90","","100.409","0.001","90","","1465.7","0.12","100","2","100","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","3,5-dichloro-<i>N</i>-(3,5-dimethylphenyl)benzenesulfonamide","","- C14 H13 Cl2 N O2 S -","- C14 H13 Cl2 N O2 S -","- C56 H52 Cl8 N4 O8 S4 -","4","1","","Shakuntala, K.; Naveen, S.; Lokanath, N. K.; Suchetan, P. A.","Crystal structures of isomeric 3,5-dichloro-<i>N</i>-(2,3-dimethylphenyl)benzenesulfonamide, 3,5-dichloro-<i>N</i>-(2,6-dimethylphenyl)benzenesulfonamide and 3,5-dichloro-<i>N</i>-(3,5-dimethylphenyl)benzenesulfonamide","Acta Crystallographica Section E","2017","73","5","673","677","10.1107/S2056989017005230","","","1.54178","CuKα","","0.0578","0.0575","","","0.1517","0.1521","","","","","","0.993","","","","has coordinates,has Fobs","199165","2020-10-21","18:00:00",""
"2242200","10.351","0.007","11.894","0.008","19.07","0.013","76.33","0.01","88.582","0.012","67.077","0.011","2095","2","296","2","296","2","","","","","","","","6","P -1","-P 1","2","","Bis[4'-(furan-2-yl)-2,2':6',2''-terpyridine]nickel(II) dichloride decahydrate","","- C38 H46 Cl2 N6 Ni O12 -","- C38 H46 Cl2 N6 Ni O12 -","- C76 H92 Cl4 N12 Ni2 O24 -","2","1","LH5845","Fu, Wei-Wei; Li, Ya-Qian; Liu, Yang; Chen, Man-Sheng; Li, Wei; Yang, Ying-Qun","An infinite two-dimensional hybrid water‒chloride network in a 4'-(furan-2-yl)-2,2':6',2''-terpyridine nickel(II) matrix","Acta Crystallographica Section E","2017","73","6","871","875","10.1107/S2056989017007095","","","0.71073","MoKα","","0.0714","0.0499","","","0.1314","0.1439","","","","","","1.065","","","","has coordinates,has disorder,has Fobs","199168","2020-10-21","18:00:00",""
"2242201","5.6993","0.0007","12.0762","0.0013","16.6839","0.0019","90","","90","","90","","1148.3","0.2","90","","90","","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","Benzoic acid‒<i>L</i>-proline (1/1)","Benzoic acid‒pyrrolidin-1-ium-2-carboxylate (1/1)","","- C12 H15 N O4 -","- C12 H15 N O4 -","- C48 H60 N4 O16 -","4","1","LH5828","Chesna, Aaron M.; Cox, Jordan M.; Basso, Sanjukta; Benedict, Jason B.","Hydrogen-bonded co-crystal structure of benzoic acid and zwitterionic <small>L</small>-proline","Acta Crystallographica Section E","2017","73","3","369","371","10.1107/S2056989017001785","","","0.71073","MoKα","","0.0611","0.0433","","","0.0806","0.0862","","","","","","1.055","","","","has coordinates,has Fobs","199169","2020-10-21","18:00:00",""
"2242202","9.5008","0.0015","13.22","0.002","13.584","0.002","90","","90","","90","","1706.2","0.4","296","2","296","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","[taxodione]","(4b<i>S</i>)-4-Hydroxy-2-isopropyl-4b,8,8-trimethyl-4b,5,6,7,8,8a-hexahydrophenanthrene-3,9-dione","","- C20 H26 O3 -","- C20 H26 O3 -","- C80 H104 O12 -","4","1","XU5903","Ke, Rui-Fang; Xu, Shi-Cheng; Song, Ping; Deng, Shi-Hao; Ma, Xin-Hua; Yang, Xin-Zhou","Crystal structure of taxodione isolated from <i>Taxodium ascendens</i> (B.)","Acta Crystallographica Section E","2017","73","7","1102","1104","10.1107/S205698901700946X","","","0.71073","MoKα","","0.0389","0.0343","","","0.0839","0.0875","","","","","","1.051","","","","has coordinates,has Fobs","199170","2020-10-21","18:00:00",""
"2242203","19.984","0.003","6.6328","0.0011","20.14","0.003","90","","106.818","0.002","90","","2555.4","0.7","104","2","104","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","2-Chloro-1,3-bis(2,6-diisopropylphenyl)-1,3,2-diazaphospholidine 2-oxide","","- C26 H38 Cl N2 O P -","- C26 H38 Cl N2 O P -","- C104 H152 Cl4 N8 O4 P4 -","4","1","HB7671","Veinot, Alex J.; Hendsbee, Arthur D.; Masuda, Jason D.","Crystal structure of 2-chloro-1,3-bis(2,6-diisopropylphenyl)-1,3,2-diazaphospholidine 2-oxide","Acta Crystallographica Section E","2017","73","5","735","737","10.1107/S2056989017005825","","","0.71073","MoKα","","0.068","0.0432","","","0.0965","0.1086","","","","","","1.04","","","","has coordinates,has Fobs","199171","2020-10-21","18:00:00",""
"2242204","9.8262","0.0005","13.4434","0.0007","9.4251","0.0008","90","","109.897","0.002","90","","1170.71","0.13","115","","115","","","","","","","","","3","C 1 c 1","C -2yc","9","","2-[3-Methoxy-4-(oxiran-2-ylmethoxy)benzyl]oxirane","","- C13 H16 O4 -","- C13 H16 O4 -","- C52 H64 O16 -","4","1","SU5360","Vigier, Jordan; François, Camille; Pourchet, Sylvie; Boni, Gilles; Plasseraud, Laurent; Placet, Vincent; Fontaine, Stéphane; Cattey, Hélène","Crystal structure of the diglycidyl ether of eugenol","Acta Crystallographica Section E","2017","73","5","694","697","10.1107/S2056989017005370","","","0.71073","MoKα","","0.0456","0.0439","","","0.1191","0.1208","","","","","","1.065","","","","has coordinates,has disorder,has Fobs","199172","2020-10-21","18:00:00",""
"2242205","11.4321","0.0017","6.6263","0.001","12.4819","0.0019","90","","110.788","0.003","90","","884","0.2","100","2","100","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","9,9-Dimethyl-3,7-diazabicyclo[3.3.1]nonane-2,4,6,8-tetraone","","- C9 H10 N2 O4 -","- C9 H10 N2 O4 -","- C36 H40 N8 O16 -","4","0.5","LD2140","Vatsadze, Sergey Z.; Manaenkova, Marina A.; Vasilev, Evgeny V.; Venskovsky, Nikolai U.; Khrustalev, Victor N.","Crystal structures and supramolecular features of 9,9-dimethyl-3,7-diazabicyclo[3.3.1]nonane-2,4,6,8-tetraone, 3,7-diazaspiro[bicyclo[3.3.1]nonane-9,1'-cyclopentane]-2,4,6,8-tetraone and 9-methyl-9-phenyl-3,7-diazabicyclo[3.3.1]nonane-2,4,6,8-tetraone dimethylformamide monosolvate","Acta Crystallographica Section E","2017","73","7","1097","1101","10.1107/S2056989017009458","","","0.71073","MoKα","","0.0655","0.0618","","","0.1812","0.1839","","","","","","1.059","","","","has coordinates,has Fobs","199173","2020-10-21","18:00:00",""
"2242206","12.8058","0.0006","11.485","0.0006","6.9058","0.0003","90","","90","","90","","1015.67","0.08","120","2","120","2","","","","","","","","4","P n m a","-P 2ac 2n","62","","3,7-Diazaspiro[bicyclo[3.3.1]nonane-9,1'-cyclopentane]-2,4,6,8-tetraone","","- C11 H12 N2 O4 -","- C11 H12 N2 O4 -","- C44 H48 N8 O16 -","4","0.5","LD2140","Vatsadze, Sergey Z.; Manaenkova, Marina A.; Vasilev, Evgeny V.; Venskovsky, Nikolai U.; Khrustalev, Victor N.","Crystal structures and supramolecular features of 9,9-dimethyl-3,7-diazabicyclo[3.3.1]nonane-2,4,6,8-tetraone, 3,7-diazaspiro[bicyclo[3.3.1]nonane-9,1'-cyclopentane]-2,4,6,8-tetraone and 9-methyl-9-phenyl-3,7-diazabicyclo[3.3.1]nonane-2,4,6,8-tetraone dimethylformamide monosolvate","Acta Crystallographica Section E","2017","73","7","1097","1101","10.1107/S2056989017009458","","","0.71073","MoKα","","0.0539","0.0425","","","0.1114","0.1185","","","","","","1.026","","","","has coordinates,has Fobs","199173","2020-10-21","18:00:00",""
"2242207","7.7876","0.0005","19.4656","0.0012","21.7879","0.0013","90","","90","","90","","3302.8","0.4","120","2","120","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","9-Methyl-9-phenyl-3,7-diazabicyclo[3.3.1]nonane-2,4,6,8-tetraone dimethylformamide monosolvate","","- C17 H19 N3 O5 -","- C17 H19 N3 O5 -","- C136 H152 N24 O40 -","8","1","LD2140","Vatsadze, Sergey Z.; Manaenkova, Marina A.; Vasilev, Evgeny V.; Venskovsky, Nikolai U.; Khrustalev, Victor N.","Crystal structures and supramolecular features of 9,9-dimethyl-3,7-diazabicyclo[3.3.1]nonane-2,4,6,8-tetraone, 3,7-diazaspiro[bicyclo[3.3.1]nonane-9,1'-cyclopentane]-2,4,6,8-tetraone and 9-methyl-9-phenyl-3,7-diazabicyclo[3.3.1]nonane-2,4,6,8-tetraone dimethylformamide monosolvate","Acta Crystallographica Section E","2017","73","7","1097","1101","10.1107/S2056989017009458","","","0.71073","MoKα","","0.0992","0.0509","","","0.1015","0.1243","","","","","","1.01","","","","has coordinates,has Fobs","199173","2020-10-21","18:00:00",""
"2242208","9.50481","0.00018","13.3872","0.0002","20.3322","0.0004","90","","93.0955","0.0019","90","","2583.35","0.08","123","2","123","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","<i>catena</i>-Poly[[dichloridomercury(II)]-μ-2,2'-(2-bromo-5-<i>tert</i>-butyl-1,3-phenylene)bis(1-methyl-1<i>H</i>-benzimidazole)-κ^2^<i>N</i>^3^:<i>N</i>^3'^]","","- C26 H25 Br Cl2 Hg N4 -","- C26 H25 Br Cl2 Hg N4 -","- C104 H100 Br4 Cl8 Hg4 N16 -","4","1","ZL2694","Rani, Varsha; Singh, Harkesh B.; Butcher, Ray J.","Synthesis and structure of the mercury chloride complex of 2,2'-(2-bromo-5-<i>tert</i>-butyl-1,3-phenylene)bis(1-methyl-1<i>H</i>-benzimidazole)","Acta Crystallographica Section E","2017","73","3","341","344","10.1107/S2056989017001888","","","1.54184","CuKα","","0.0438","0.0376","","","0.098","0.1039","","","","","","1.074","","","","has coordinates,has Fobs","199174","2020-10-21","18:00:00",""
"2242209","6.9774","0.0005","6.8273","0.0005","19.4895","0.0014","90","","95.804","0.003","90","","923.66","0.12","100","","100","","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","3-Methyl-6-[(propynyloxy)methyl]-1,4-dioxane-2,5-dione","","- C9 H10 O5 -","- C9 H10 O5 -","- C36 H40 O20 -","4","1","FF2148","Elkin, Igor; Maris, Thierry; Hildgen, Patrice","Synthesis and characterization of 3-methyl-6-[(propynyloxy)methyl]-1,4-dioxane-2,5-dione","Acta Crystallographica Section E","2017","73","7","1044","1047","10.1107/S2056989017008581","","","1.34139","GaKα","","0.0773","0.063","","","0.168","0.1831","","","","","","1.046","","","","has coordinates,has Fobs","199175","2020-10-21","18:00:00",""
"2242210","11.0758","0.0008","12.4989","0.0011","14.2425","0.0013","98.088","0.003","96.537","0.003","102.151","0.003","1887.2","0.3","100","","100","","","","","","","","","3","P -1","-P 1","2","","(<i>E</i>)-4-benzylidene-6-phenyl-1,2,3,4,7,8,9,10-octahydrophenanthridine","","- C26 H25 N -","- C26 H25 N -","- C104 H100 N4 -","4","2","FF2149","Al-Rubaye, Baidaa K.; Brink, Alice; Miller, Gary J.; Potgieter, Herman; Al-Jeboori, Mohamad J.","Crystal structure of (<i>E</i>)-4-benzylidene-6-phenyl-1,2,3,4,7,8,9,10-octahydrophenanthridine","Acta Crystallographica Section E","2017","73","7","1092","1096","10.1107/S2056989017009537","","","0.71073","MoKα","","0.0808","0.0489","","","0.113","0.1312","","","","","","1.035","","","","has coordinates,has disorder,has Fobs","199176","2020-10-21","18:00:00",""
"2242211","14.807","0.003","5.8216","0.0012","4.0217","0.0009","90","","104.321","0.005","90","","335.9","0.12","270","","270","","","","","","","","","4","C 1 2/m 1","-C 2y","12","","","","- C H O3 Rb -","- C H O3 Rb -","- C4 H4 O12 Rb4 -","4","0.5","PK2601","Larvor, Carla; Stöger, Berthold","The phase transition of rubidium hydrogen carbonate, RbHCO~3~","Acta Crystallographica Section E","2017","73","7","975","979","10.1107/S2056989017008271","","","0.71073","MoKα","","0.0452","0.0291","","","0.0608","0.0658","","","","","","1.26","","","","has coordinates,has Fobs","199177","2020-10-21","18:00:00",""
"2242212","14.945","0.003","5.8212","0.0009","3.9699","0.0006","89.343","0.004","104.096","0.004","92.748","0.009","334.59","0.1","200","","200","","","","","","","","","4","C -1","-P 1 (1/2*x+1/2*y,1/2*x-1/2*y,-z)","2","","","","- C H O3 Rb -","- C H O3 Rb -","- C4 H4 O12 Rb4 -","4","","PK2601","Larvor, Carla; Stöger, Berthold","The phase transition of rubidium hydrogen carbonate, RbHCO~3~","Acta Crystallographica Section E","2017","73","7","975","979","10.1107/S2056989017008271","","","0.71073","MoKα","","0.0466","0.0375","","","0.0733","0.075","","","","","","1.5","","","","has coordinates,has Fobs","199177","2020-10-21","18:00:00",""
"2242213","14.3568","0.0008","27.0628","0.0013","5.5212","0.0002","90","","90","","90","","2145.18","0.18","296","2","296","2","","","","","","","","7","P 21 21 2","P 2 2ab","18","","<i>catena</i>-Poly[[[bis(ethylenediamine)platinum(II)]-μ-bromido-[bis(ethylenediamine)platinum(IV)]-μ-bromido] tetrakis(2-bromoethanesulfonate) dihydrate]","","- C16 H52 Br6 N8 O14 Pt2 S4 -","- C16 H52 Br6 N8 O14 Pt2 S4 -","- C32 H104 Br12 N16 O28 Pt4 S8 -","2","0.5","WM5394","Matsushita, Nobuyuki; Taira, Ayako; Taoka, Yoshiya","A one-dimensional bromide-bridged Pt^II^/Pt^IV^ mixed-valence complex with a 2-bromoethanesulfonate counter-ion","Acta Crystallographica Section E","2017","73","8","1108","1112","10.1107/S2056989017009598","","","0.71069","MoKα","","0.0654","0.0424","","","0.0941","0.1026","","","","","","1.03","","","","has coordinates,has Fobs","199178","2020-10-21","18:00:00",""
"2242214","10.0148","0.0012","17.343","0.002","15.627","0.0019","90","","105.948","0.002","90","","2609.7","0.5","150","2","150","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","2-Azido-1,3-bis(2,6-diisopropylphenyl)-1,3,2-diazaphospholidine","","- C26 H38 N5 P -","- C26 H38 N5 P -","- C104 H152 N20 P4 -","4","1","HB7680","Veinot, Alex J.; Blair, Amber D.; Masuda, Jason D.","Crystal structure of 2-azido-1,3-bis(2,6-diisopropylphenyl)-1,3,2-diazaphospholidine","Acta Crystallographica Section E","2017","73","6","905","907","10.1107/S2056989017007642","","","0.71073","MoKα","","0.065","0.0462","","","0.1123","0.1232","","","","","","1.023","","","","has coordinates,has Fobs","199179","2020-10-21","18:00:00",""
"2242215","21.613","0.004","3.8867","0.0004","25.081","0.005","90","","115.37","0.02","90","","1903.7","0.6","298","","298","","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","<i>N</i>-hydroxyquinoline-2-carboxamide monohydrate","","- C10 H10 N2 O3 -","- C10 H10 N2 O3 -","- C80 H80 N16 O24 -","8","1","XU5902","Safyanova, Inna S.; Ohui, Kateryna A.; Omelchenko, Iryna V.; Shyshkina, Svitlana V.","Crystal structure of <i>N</i>-hydroxyquinoline-2-carboxamide monohydrate","Acta Crystallographica Section E","2017","73","5","795","797","10.1107/S2056989017005618","","","0.71073","MoKα","","0.075","0.0395","","","0.0851","0.0979","","","","","","0.969","","","","has coordinates,has Fobs","199180","2020-10-21","18:00:00",""
"2242216","7.9147","0.0005","16.2171","0.0011","22.5254","0.0016","90","","90","","90","","2891.2","0.3","100","2","100","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","7-Hydroxy-3-(2-methoxyphenyl)-2-trifluoromethyl-4<i>H</i>-chromen-4-one","","- C17 H11 F3 O4 -","- C17 H11 F3 O4 -","- C136 H88 F24 O32 -","8","1","HB7688","Low, John Nicolson; Gomes, Ligia R.; Gaspar, Alexandra; Borges, Fernanda","Structure of 7-hydroxy-3-(2-methoxyphenyl)-2-trifluoromethyl-4<i>H</i>-chromen-4-one","Acta Crystallographica Section E","2017","73","8","1130","1134","10.1107/S2056989017009896","","","0.71075","MoKα","","0.0446","0.0355","","","0.0947","0.103","","","","","","1.018","","","","has coordinates,has Fobs","199181","2020-10-21","18:00:00",""
"2242217","8.4709","0.0003","9.8287","0.0003","22.4299","0.0006","90","","90","","90","","1867.47","0.1","210","2","210","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","erioflorin","(1a<i>R</i>,3<i>S</i>,4<i>Z</i>,5a<i>R</i>,8a<i>R</i>,9<i>R</i>,10a<i>R</i>)-1a,2,3,5a,7,8,8a,9,10,10a-Decahydro-3-hydroxy-4,10a-dimethyl-8-methylidene-7-oxooxireno[5,6]cyclodeca[1,2-<i>b</i>]furan-9-yl methacrylate","","- C19 H24 O6 -","- C19 H24 O6 -","- C76 H96 O24 -","4","1","ZL2693","Paz, Cristian; Ortiz, Leandro; Schilde, Uwe","Crystal structure of erioflorin isolated from <i>Podanthus mitiqui</i> (L.)","Acta Crystallographica Section E","2017","73","3","334","337","10.1107/S2056989017001700","","","0.71073","MoKα","","0.0497","0.0454","","","0.1134","0.1159","","","","","","1.086","","","","has coordinates,has Fobs","199182","2020-10-21","18:00:00",""
"2242218","9.4677","0.0006","25.7169","0.0013","9.5704","0.0005","90","","103.681","0.002","90","","2264.1","0.2","296","2","296","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","10-Ethyl-7-(9-ethyl-9<i>H</i>-carbazol-3-yl)-10<i>H</i>-phenothiazine-3-carbaldehyde","","- C29 H24 N2 O S -","- C29 H24 N2 O S -","- C116 H96 N8 O4 S4 -","4","1","SU5357","Mahalakshmi, Vairavan; Gouthaman, Siddan; Sugunalakshmi, Madurai; Bargavi, Srinivasan; Lakshmi, Srinivasakannan","Crystal structure of 10-ethyl-7-(9-ethyl-9<i>H</i>-carbazol-3-yl)-10<i>H</i>-phenothiazine-3-carbaldehyde","Acta Crystallographica Section E","2017","73","5","726","728","10.1107/S2056989017005540","","","0.71073","MoKα","","0.0623","0.0404","","","0.093","0.1071","","","","","","1.032","","","","has coordinates,has Fobs","199183","2020-10-21","18:00:00",""
"2242219","20.42","0.0009","5.9477","0.0002","17.8414","0.0008","90","","123.607","0.003","90","","1804.69","0.14","173","2","173","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","3,3'-(Ethane-1,2-diyl)bis(6-iodo-3,4-dihydro-2<i>H</i>-1,3-benzoxazine)","","- C18 H18 I2 N2 O2 -","- C18 H18 I2 N2 O2 -","- C72 H72 I8 N8 O8 -","4","0.5","HB7668","Rivera, Augusto; Rojas, Jicli José; Ríos-Motta, Jaime; Bolte, Michael","C—I···N short contacts as tools for the construction of the crystal packing in the crystal structure of 3,3'-(ethane-1,2-diyl)bis(6-iodo-3,4-dihydro-2<i>H</i>-1,3-benzoxazine)","Acta Crystallographica Section E","2017","73","5","664","666","10.1107/S2056989017005047","","","0.71073","MoKα","","0.0312","0.0299","","","0.0747","0.0755","","","","","","1.222","","","","has coordinates,has Fobs","199184","2020-10-21","18:00:00",""
"2242220","5.7574","0.0001","12.5703","0.0003","20.1888","0.0004","90","","90","","90","","1461.11","0.05","200","2","200","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","5-<i>O</i>-Benzoyl-2,3-<i>O</i>-isopropylidene-<i>D</i>-ribono-1,4-lactone","","- C15 H16 O6 -","- C15 H16 O6 -","- C60 H64 O24 -","4","1","","Bortoluzzi, Adailton J.; Silveira, Gustavo P.; Sá, Marcus M.","Crystal structure of 5-<i>O</i>-benzoyl-2,3-<i>O</i>-isopropylidene-<small>D</small>-ribono-1,4-lactone","Acta Crystallographica Section E","2017","73","3","407","409","10.1107/S2056989017002043","","","1.54178","CuKα","","0.0238","0.0236","","","0.0676","0.0681","","","","","","1.021","","","","has coordinates,has Fobs","199185","2020-10-21","18:00:00",""
"2242221","11.868","0.0003","12.5514","0.0003","6.4386","0.0002","90","","114.012","0.001","90","","876.09","0.04","296","2","296","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","Silver cobalt iron tris(orthophosphate)","","- Ag6.62 Co6.56 Fe5.44 O48 P12 -","- Ag6.6152 Co6.56 Fe5.44 O48 P12 -","- Ag6.6152 Co6.56 Fe5.44 O48 P12 -","1","0.125","HP2074","Bouraima, Adam; Makani, Thomas; Assani, Abderrazzak; Saadi, Mohamed; El Ammari, Lahcen","Crystal structure of a silver-, cobalt- and iron-based phosphate with an alluaudite-like structure: Ag~1.655~Co~1.64~Fe~1.36~(PO~4~)~3~","Acta Crystallographica Section E","2017","73","6","890","892","10.1107/S205698901700740X","","","0.71073","MoKα","","0.0203","0.0195","","","0.0462","0.0466","","","","","","1.192","","","","has coordinates,has Fobs","199186","2020-10-21","18:00:00",""
"2242222","32.44","0.003","10.3197","0.0008","29.869","0.002","90","","110.629","0.008","90","","9358.1","1.4","200","2","200","2","","","","","","","","7","C 1 2/c 1","-C 2yc","15","","{2-[(Bis{[2-(methylsulfanyl)ethyl]aminomethyl}aminomethyl)amino]ethanethiolato}cobalt(III) bis(hexafluoridophosphate)","","- C11 H27 Co F12 N4 P2 S3 -","- C11 H27 Co F12 N4 P2 S3 -","- C176 H432 Co16 F192 N64 P32 S48 -","16","2","IS5473","Fukuda, Yosuke; Yoshinari, Nobuto; Konno, Takumi","Synthesis and crystallographic characterization of a mononuclear cobalt(III) complex possessing both thiolate and thioether donors: reactivity of an thiolate-bridged pentanuclear Co~2~Ag~3~ complex with iodomethane","Acta Crystallographica Section E","2017","73","5","678","681","10.1107/S2056989017005229","","","0.71075","MoKα","","0.0754","0.0556","","","0.1409","0.1523","","","","","","1.052","","","","has coordinates,has disorder,has Fobs","199187","2020-10-21","18:00:00",""
"2242223","9.2867","0.0002","10.8741","0.0002","14.3038","0.0003","90","","90","","90","","1444.46","0.05","295","2","295","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","4-Benzylcarbamoyl-1-methylpyridin-1-ium iodide","","- C14 H15 I N2 O -","- C14 H15 I N2 O -","- C56 H60 I4 N8 O4 -","4","1","RK2435","Drebushchak, T. N.; Kryukov, Yu.A.; Rogova, A. I.; Boldyreva, E. V.","Crystal structure of 4-benzylcarbamoyl-1-methylpyridin-1-ium iodide: an efficient multimodal antiviral drug","Acta Crystallographica Section E","2017","73","7","967","970","10.1107/S2056989017008155","","","0.71073","MoKα","","0.0288","0.0237","","","0.0512","0.0534","","","","","","1.077","","","","has coordinates,has Fobs","211179","2020-10-21","18:00:00",""
"2242224","7.8956","0.0003","8.9627","0.0003","15.0311","0.0004","102.263","0.007","93.97","0.007","114.219","0.008","933.23","0.09","93","2","93","2","","","","","","","","5","P -1","-P 1","2","Epalrestat tetrahydrofuran monosolvate","(5<i>Z</i>)-5-[(2<i>E</i>)-2-Methyl-3-phenylprop-2-en-1-ylidene]-4-oxo-2-sulfanylidene-1,3-thiazolidine-3-acetic acid tetrahydrofuran monosolvate","","- C19 H21 N O4 S2 -","- C19 H21 N O4 S2 -","- C38 H42 N2 O8 S4 -","2","1","SU5372","Umeda, Daiki; Putra, Okky Dwichandra; Gunji, Mihoko; Fukuzawa, Kaori; Yonemochi, Etsuo","Epalrestat tetrahydrofuran monosolvate: crystal structure and phase transition","Acta Crystallographica Section E","2017","73","7","941","944","10.1107/S2056989017007976","","","1.54187","CuKα","","0.0377","0.0364","","","0.0961","0.097","","","","","","1.028","","","","has coordinates,has disorder,has Fobs","199189","2020-10-21","18:00:00",""
"2242225","9.4938","0.0007","11.5325","0.0008","11.3739","0.0009","90","","109.557","0.002","90","","1173.45","0.15","147","2","147","2","","","","","","","","4","P 1 21 1","P 2yb","4","","3-Amino-1,6-diethyl-2,5,7-trimethyl-4,4-diphenyl-3a,4a-diaza-4-bora-<i>s</i>-indacene","","- C28 H32 B N3 -","- C28 H32 B N3 -","- C56 H64 B2 N6 -","2","1","SJ5520","Yang, Lijing; Drew, Brett; Yalagala, Ravi Shekar; Chaviwala, Rameez; Simionescu, Razvan; Lough, Alan J.; Yan, Hongbin","Crystal structure and solvent-dependent behaviours of 3-amino-1,6-diethyl-2,5,7-trimethyl-4,4-diphenyl-3a,4a-diaza-4-bora-<i>s</i>-indacene","Acta Crystallographica Section E","2017","73","3","378","382","10.1107/S2056989017002213","","","0.71073","MoKα","","0.0638","0.0455","","","0.0947","0.1041","","","","","","1.026","","","","has coordinates,has Fobs","199190","2020-10-21","18:00:00",""
"2242226","5.0968","0.0001","8.8153","0.0001","25.6052","0.0003","90","","90","","90","","1150.44","0.03","100.01","0.1","100.01","0.1","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","(-)-(<i>S</i>)-4-[(2<i>S</i>,3<i>S</i>,4<i>S</i>,<i>Z</i>)-3-hydroxy-4-methylhept-5-en-2-yl]-1,3-dioxolan-2-one","","- C11 H18 O4 -","- C11 H18 O4 -","- C44 H72 O16 -","4","1","","Morales-Rivera, Keyla F.; Piñero Cruz, Dalice M.; Prieto, Jose A.","Crystal structure of ({-})-(<i>S</i>)-4-[(2<i>S</i>,3<i>S</i>,4<i>S</i>,<i>Z</i>)-3-hydroxy-4-methylhept-5-en-2-yl]-1,3-dioxolan-2-one","Acta Crystallographica Section E","2017","73","7","1070","1072","10.1107/S2056989017009318","","","1.54184","CuKα","","0.033","0.0323","","","0.0934","0.0938","","","","","","1.256","","","","has coordinates,has Fobs","199191","2020-10-21","18:00:00",""
"2242227","5.6805","0.0003","8.3846","0.0005","21.4864","0.0012","99.191","0.001","92.719","0.001","91.701","0.001","1008.37","0.1","150","","150","","","","","","","","","3","P -1","-P 1","2","4-metacryloxyphenyl 4-<i>n</i>-hexyloxybenzoate","4-[(3-Methylbut-3-enoyl)oxy]phenyl 4-<i>n</i>-hexyloxybenzoate","","- C23 H26 O5 -","- C23 H26 O5 -","- C46 H52 O10 -","2","1","RK2436","Kuz'mina, Lyudmila G.; Konstantinov, Ivan I.; Churakov, Andrei V.; Navasardyan, Mger A.","Crystal structure of 4-[(3-methylbut-3-enoyl)oxy]phenyl 4-<i>n</i>-hexyloxybenzoate","Acta Crystallographica Section E","2017","73","7","1052","1055","10.1107/S2056989017008568","","","0.71073","MoKα","","0.0659","0.0445","","","0.1068","0.1173","","","","","","1.043","","","","has coordinates,has Fobs","199192","2020-10-21","18:00:00",""
"2242228","6.835","0.0006","6.835","0.0006","5.8318","0.0005","90","","90","","120","","235.94","0.04","297","2","297","2","","","","","","","","4","P 63/m m c","-P 6c 2c","194","","Barium copper(II) tantalum(V) trisulfide","","- Ba Cu0.34 S3 Ta0.66 -","- Ba Cu0.3334 S3 Ta0.6666 -","- Ba2 Cu0.6668 S6 Ta1.3332 -","2","0.0833333","WM5362","Bu, Kejun; He, Jianqiao; Wang, Dong; Zheng, Chong; Huang, Fuqiang","Crystal structure of the mixed-metal trisulfide BaCu~1/3~Ta~2/3~S~3~","Acta Crystallographica Section E","2017","73","5","713","715","10.1107/S2056989017005266","","","0.71073","MoKα","","0.0507","0.0425","","","0.1071","0.1126","","","","","","1.248","","","","has coordinates,has Fobs","199193","2020-10-21","18:00:00",""
"2242229","10.0304","0.0006","8.3355","0.0004","18.2581","0.0012","90","","90.547","0.008","90","","1526.46","0.15","200","2","200","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","Bis(acetonitrile-κ<i>N</i>)bis(4-benzoylpyridine-κ<i>N</i>)bis(thiocyanato-\ κ<i>N</i>)cobalt(II)","","- C30 H24 Co N6 O2 S2 -","- C30 H24 Co N6 O2 S2 -","- C60 H48 Co2 N12 O4 S4 -","2","0.5","WM5365","Suckert, Stefan; Werner, Julia; Jess, Inke; Näther, Christian","Crystal structure of bis(acetonitrile-κ<i>N</i>)bis(4-benzoylpyridine-κ<i>N</i>)bis(thiocyanato-κ<i>N</i>)cobalt(II)","Acta Crystallographica Section E","2017","73","3","365","368","10.1107/S2056989017002201","","","0.71073","MoKα","","0.0423","0.0363","","","0.0923","0.0957","","","","","","1.044","","","","has coordinates,has Fobs","199194","2020-10-21","18:00:00",""
"2242230","28.2529","0.0011","28.2529","0.0011","4.2504","0.0003","90","","90","","90","","3392.8","0.3","123","2","123","2","","","","","","","","4","P 4/n","-P 4a","85","2,3-Diethyl-5,12-dihydroxynaphtho[2,3-<i>g</i>]quinoxaline-6,11-dione","2,3-Diethyl-5,12-dihydroxynaphtho[2,3-<i>g</i>]quinoxaline-6,11-dione","","- C20 H16 N2 O4 -","- C20 H16 N2 O4 -","- C160 H128 N16 O32 -","8","","ZS2382","Forsyth, Craig M.; Francis, Craig L.","Crystal structures of two 2,3-diethylnaphtho[2,3-<i>g</i>]quinoxaline-6,11-dione derivatives","Acta Crystallographica Section E","2017","73","8","1125","1129","10.1107/S2056989017009641","","","1.54184","CuKα","","0.0504","0.0381","","","0.0947","0.1049","","","","","","1.034","","","","has coordinates,has Fobs","199195","2020-10-21","18:00:00",""
"2242231","11.6144","0.0006","11.8249","0.0005","19.0526","0.0009","75.102","0.002","77.31","0.002","83.321","0.002","2462","0.2","123","2","123","2","","","","","","","","4","P -1","-P 1","2","2,3-Diethyl-5,12-bis(piperidin-1-yl)naphtho[2,3-<i>g</i>]quinoxaline-6,11-dione","2,3-Diethyl-5,12-bis(piperidin-1-yl)naphtho[2,3-<i>g</i>]quinoxaline-6,11-dione","","- C30 H34 N4 O2 -","- C30 H34 N4 O2 -","- C120 H136 N16 O8 -","4","2","ZS2382","Forsyth, Craig M.; Francis, Craig L.","Crystal structures of two 2,3-diethylnaphtho[2,3-<i>g</i>]quinoxaline-6,11-dione derivatives","Acta Crystallographica Section E","2017","73","8","1125","1129","10.1107/S2056989017009641","","","0.71073","MoKα","","0.0819","0.0467","","","0.0967","0.113","","","","","","1.027","","","","has coordinates,has Fobs","199195","2020-10-21","18:00:00",""
"2242232","5.6955","0.0014","3.8408","0.0005","14.592","0.004","90","","91.631","0.019","90","","319.07","0.12","150","2","150","2","","","","","","","","3","P 1 21 1","P 2yb","4","","<i>N</i>'-Aminopyridine-2-carboximidamide","","- C6 H8 N4 -","- C6 H8 N4 -","- C12 H16 N8 -","2","1","NK2236","Eya'ane Meva, Francois; Prior, Timothy John; Evans, David John; Mang, Emmanuel Roland","Crystal structures of <i>N</i>'-aminopyridine-2-carboximidamide and <i>N</i>'-{[1-(pyridin-2-yl)ethylidene]amino}pyridine-2-carboximidamide","Acta Crystallographica Section E","2017","73","7","1021","1025","10.1107/S2056989017008416","","","0.71073","MoKα","","0.1019","0.072","","","0.1784","0.1928","","","","","","0.874","","","","has coordinates,has Fobs","199196","2020-10-21","18:00:00",""
"2242233","6.6899","0.0005","18.93","0.002","9.6561","0.0011","90","","90","","90","","1222.8","0.2","150","2","150","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","<i>N</i>'-{[1-(Pyridin-2-yl)ethylidene]amino}pyridine-2-carboximidamide","","- C13 H13 N5 -","- C13 H13 N5 -","- C52 H52 N20 -","4","1","","Eya'ane Meva, Francois; Prior, Timothy John; Evans, David John; Mang, Emmanuel Roland","Crystal structures of <i>N</i>'-aminopyridine-2-carboximidamide and <i>N</i>'-{[1-(pyridin-2-yl)ethylidene]amino}pyridine-2-carboximidamide","Acta Crystallographica Section E","2017","73","7","1021","1025","10.1107/S2056989017008416","","","0.71073","MoKα","","0.083","0.0399","","","0.0753","0.0847","","","","","","0.828","","","","has coordinates,has Fobs","199196","2020-10-21","18:00:00",""
"2242234","9.4257","0.0004","12.2054","0.0005","13.2067","0.0006","62.979","0.003","82.329","0.003","87.145","0.003","1341.29","0.11","293","2","293","2","","","","","","","","4","P -1","-P 1","2","","Phenyl <i>N</i>-(3,5-dimethylphenyl)carbamate","","- C15 H15 N O2 -","- C15 H15 N O2 -","- C60 H60 N4 O8 -","4","2","SU5370","AaminaNaaz, Y.; Sathiyaraj, Subramaniyan; Kalaimani, Sundararaj; Nasar, A. Sultan; SubbiahPandi, A.","Crystal structure of phenyl <i>N</i>-(3,5-dimethylphenyl)carbamate","Acta Crystallographica Section E","2017","73","6","849","852","10.1107/S2056989017006922","","","0.71073","MoKα","","0.0737","0.0462","","","0.1145","0.1431","","","","","","1.09","","","","has coordinates,has Fobs","199197","2020-10-21","18:00:00",""
"2242235","6.664","0.003","8.754","0.004","8.925","0.004","103.065","0.004","110.14","0.004","92.776","0.005","471.6","0.4","296","2","296","2","","","","","","","","5","P -1","-P 1","2","","Poly[diaquabis(μ~7~-benzene-1,3,5-tricarboxylato)dicalcium(II)copper(II)]","","- C18 H10 Ca2 Cu O14 -","- C18 H10 Ca2 Cu O14 -","- C18 H10 Ca2 Cu O14 -","1","0.5","XU5901","Zhang, Feng; Zhang, Bing-Guang","Crystal structure of a heterometallic coordination polymer: poly[diaquabis(μ~7~-benzene-1,3,5-tricarboxylato)dicalcium(II)copper(II)]","Acta Crystallographica Section E","2017","73","6","835","837","10.1107/S205698901700665X","","","0.71073","MoKα","","0.0295","0.0287","","","0.0823","0.0836","","","","","","1.038","","","","has coordinates,has Fobs","199198","2020-10-21","18:00:00",""
"2242236","4.5787","0.0002","14.7986","0.0007","22.3732","0.0012","90","","92.13","0.005","90","","1514.92","0.13","123.01","0.11","123.01","0.11","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","<i>N</i>-(5-Acetyl-2-methylphenyl)quinoline-2-carboxamide","","- C19 H16 N2 O2 -","- C19 H16 N2 O2 -","- C76 H64 N8 O8 -","4","1","LH5839","Peña-Solórzano, Diana; König, Burkhard; Sierra, Cesar A.; Ochoa-Puentes, Cristian","Crystal structures of three <i>N</i>-(3-acetylphenyl)quinoline-2-carboxamides","Acta Crystallographica Section E","2017","73","6","804","808","10.1107/S2056989017006272","","","1.54184","CuKα","","0.0438","0.0382","","","0.1006","0.1056","","","","","","1.044","","","","has coordinates,has Fobs","199199","2020-10-21","18:00:00",""
"2242237","4.29848","0.00012","11.6353","0.0003","15.5888","0.0004","103.788","0.002","95.515","0.002","96.195","0.002","746.76","0.04","123.1","0.4","123.1","0.4","","","","","","","","5","P -1","-P 1","2","","<i>N</i>-(5-Acetyl-2-bromophenyl)quinoline-2-carboxamide","","- C18 H13 Br N2 O2 -","- C18 H13 Br N2 O2 -","- C36 H26 Br2 N4 O4 -","2","1","LH5839","Peña-Solórzano, Diana; König, Burkhard; Sierra, Cesar A.; Ochoa-Puentes, Cristian","Crystal structures of three <i>N</i>-(3-acetylphenyl)quinoline-2-carboxamides","Acta Crystallographica Section E","2017","73","6","804","808","10.1107/S2056989017006272","","","1.54184","CuKα","","0.0245","0.0238","","","0.0641","0.0648","","","","","","1.046","","","","has coordinates,has Fobs","199199","2020-10-21","18:00:00",""
"2242238","7.3075","0.0006","8.2605","0.0004","13.8196","0.0009","92.734","0.005","100.608","0.006","108.989","0.006","770.11","0.1","123","0.1","123","0.1","","","","","","","","4","P -1","-P 1","2","","<i>N</i>-(5-Acetyl-2-ethynylphenyl)quinoline-2-carboxamide","","- C20 H14 N2 O2 -","- C20 H14 N2 O2 -","- C40 H28 N4 O4 -","2","1","LH5839","Peña-Solórzano, Diana; König, Burkhard; Sierra, Cesar A.; Ochoa-Puentes, Cristian","Crystal structures of three <i>N</i>-(3-acetylphenyl)quinoline-2-carboxamides","Acta Crystallographica Section E","2017","73","6","804","808","10.1107/S2056989017006272","","","0.71073","MoKα","","0.0802","0.0558","","","0.1369","0.1507","","","","","","1.044","","","","has coordinates,has Fobs","199199","2020-10-21","18:00:00",""
"2242239","18.67","0.002","12.8309","0.0015","14.0146","0.0016","90","","107.193","0.002","90","","3207.2","0.6","296","2","296","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","CuTMPEN","{<i>N</i>,<i>N</i>,<i>N</i>',<i>N</i>'-Tetrakis[(6-methylpyridin-2-yl)methyl]ethane-1,2-diamine-κ^6^<i>N</i>}copper(II) bis(tetrafluoridoborate)","","- C30 H36 B2 Cu F8 N6 -","- C30 H36 B2 Cu F8 N6 -","- C120 H144 B8 Cu4 F32 N24 -","4","0.5","PJ2042","Chen, Lin; Guo, Yakun; Ren, Gan; Sang, Ge","Crystal structure of [Cu(tmpen)](BF~4~)~2~ {tmpen is <i>N</i>,<i>N</i>,<i>N</i>',<i>N</i>'-tetrakis[(6-methylpyridin-2-yl)methyl]ethane-1,2-diamine}","Acta Crystallographica Section E","2017","73","4","640","643","10.1107/S2056989017004492","","","0.71073","MoKα","","0.0385","0.0339","","","0.0933","0.0966","","","","","","1.061","","","","has coordinates,has disorder,has Fobs","199200","2020-10-21","18:00:00",""
"2242240","7.3757","0.0003","13.7306","0.0005","16.4473","0.0006","90","","100.002","0.001","90","","1640.35","0.11","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","2-[(4-Chlorophenyl)selanyl]-3,4-dihydro-2<i>H</i>-benzo[<i>h</i>]chromene-5,6-dione","","- C19 H13 Cl O3 Se -","- C19 H13 Cl O3 Se -","- C76 H52 Cl4 O12 Se4 -","4","1","WM5392","Zukerman-Schpector, Julio; Prado, Karinne E.; Name, Luccas L.; Cella, Rodrigo; Jotani, Mukesh M.; Tiekink, Edward R. T.","2-[(4-Chlorophenyl)selanyl]-3,4-dihydro-2<i>H</i>-benzo[<i>h</i>]chromene-5,6-dione: crystal structure and Hirshfeld analysis","Acta Crystallographica Section E","2017","73","6","918","924","10.1107/S2056989017007605","","","0.71073","MoKα","","0.0303","0.0257","","","0.0658","0.0684","","","","","","1.032","","","","has coordinates,has Fobs","199201","2020-10-21","18:00:00",""
"2242241","6.243","0.003","6.349","0.003","8.153","0.004","96.57","0.02","104.45","0.03","103.08","0.04","299.8","0.3","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","Potassium chromium aluminium diarsenate, KCr~1/4~Al~3/4~As~2~O~7~","","- Al0.75 As2 Cr0.25 K O7 -","- Al0.745 As2 Cr0.255 K O7 -","- Al1.49 As4 Cr0.51 K2 O14 -","2","1","PJ2041","Bouhassine, Mohamad Alem; Boughzala, Habib","New mixed aluminium‒chromium diarsenate","Acta Crystallographica Section E","2017","73","3","345","348","10.1107/S2056989017001797","","","0.71073","MoKα","","0.0286","0.023","","","0.0566","0.0586","","","","","","1.081","","","","has coordinates,has Fobs","199202","2020-10-21","18:00:00",""
"2242242","7.551","0.0004","17.8689","0.0009","12.6834","0.0006","90","","109.95","0.0014","90","","1608.65","0.14","100","","100","","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","[2-({2-[(2-Aminobenzylidene)amino]benzylidene}amino)-4-chlorophenolate]nickel(II)","","- C20 H14 Cl N3 Ni O -","- C20 H14 Cl N3 Ni O -","- C80 H56 Cl4 N12 Ni4 O4 -","4","1","IS5472","Kobayashi, Fumiya; Koga, Atsushi; Ohtani, Ryo; Hayami, Shinya; Nakamura, Masaaki","Crystal structure of [2-({2-[(2-azanidylbenzylidene)amino]benzylidene}amino)-4-chlorophenolato]nickel(II)","Acta Crystallographica Section E","2017","73","4","637","639","10.1107/S2056989017004613","","","0.71075","MoKα","","0.048","0.0417","","","0.1003","0.1031","","","","","","1.04","","","","has coordinates,has Fobs","199203","2020-10-21","18:00:00",""
"2242243","11.0921","0.001","14.8876","0.0014","7.207","0.0007","90","","90","","90","","1190.13","0.19","125","2","125.12","","","","","","","","","4","P 21 21 2","P 2 2ab","18","","(<i>S</i>)-<i>sec</i>-Butylammonium <i>L</i>-tartrate monohydrate","","- C8 H19 N O7 -","- C8 H19 N O7 -","- C32 H76 N4 O28 -","4","1","","Publicover, Ernlie A.; Kolwich, Jennifer; Stack, Darcie L.; Doué, Alyssa J.; Ylijoki, Kai E. O.","Crystal structure of (<i>S</i>)-<i>sec</i>-butylammonium <small>L</small>-tartrate monohydrate","Acta Crystallographica Section E","2017","73","5","716","719","10.1107/S2056989017005448","","","0.71073","MoKα","","0.0468","0.0403","","","0.0984","0.1036","","","","","","1.027","","","","has coordinates,has disorder,has Fobs","199204","2020-10-21","18:00:00",""
"2242244","8.4849","0.0011","15.407","0.003","14.157","0.002","90","","102.598","0.016","90","","1806.1","0.5","100","2","100","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","(3<i>S</i>*,4<i>R</i>*)-4-Fluoro-3-(4-methoxyphenyl)-1-oxo-2-phenyl-1,2,3,4-\ tetrahydroisoquinoline-4-carboxylic acid","","- C23 H18 F N O4 -","- C23 H18 F N O4 -","- C92 H72 F4 N4 O16 -","4","1","SU5371","Lehmann, Anna; Lechner, Lisa; Radacki, Krzysztof; Braunschweig, Holger; Holzgrabe, Ulrike","Crystal structure of (3<i>S</i>*,4<i>R</i>*)-4-fluoro-3-(4-methoxyphenyl)-1-oxo-2-phenyl-1,2,3,4-tetrahydroisoquinoline-4-carboxylic acid","Acta Crystallographica Section E","2017","73","6","867","870","10.1107/S2056989017007186","","","0.71073","MoKα","","0.0331","0.0318","","","0.0795","0.0807","","","","","","1.047","","","","has coordinates,has Fobs","199205","2020-10-21","18:00:00",""
"2242245","7.4736","0.0012","10.8091","0.0016","9.4065","0.0014","90","","111.098","0.012","90","","708.9","0.2","296","2","296","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","Dilead(II) oxochromate(VI) oxotellurate(IV)","","- Cr O7 Pb2 Te -","- Cr O7 Pb2 Te -","- Cr4 O28 Pb8 Te4 -","4","1","HB7677","Weil, Matthias","Crystal structure of dilead(II) oxochromate(VI) oxotellurate(IV)","Acta Crystallographica Section E","2017","73","6","853","855","10.1107/S2056989017006995","","","0.71073","MoKα","","0.0478","0.0309","","","0.0644","0.0697","","","","","","1.062","","","","has coordinates,has Fobs","199206","2020-10-21","18:00:00",""
"2242246","10.65854","0.00019","8.16642","0.00014","18.0595","0.0003","90","","96.4701","0.0015","90","","1561.93","0.05","120","","120","","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C18 H36 Co N10 O12 S2 -","- C18 H36 Co N10 O12 S2 -","- C36 H72 Co2 N20 O24 S4 -","2","0.5","RZ5216","El Hamdani, H.; El Amane, M.; Duhayon, C.","Crystal structure of the tetraaquabis(thiocyanato-κ<i>N</i>)cobalt(II)‒caffeine‒water (1/2/4) co-crystal","Acta Crystallographica Section E","2017","73","7","980","982","10.1107/S2056989017008180","","","0.71073","MoKα","","0.0265","0.0232","","0.0247","0.0223","0.0219","","","","","","1.1285","","","","has coordinates,has Fobs","199207","2020-10-21","18:00:00",""
"2242247","17.5509","0.00012","4.85939","0.00003","22.83423","0.00016","90","","106.743","0.0007","90","","1864.9","0.02","100","2","100","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","2-Bromo-1,4-dihydronaphthalene-1,4-dione‒1,8-dihydroxy-9,10-dihydroanthracene-9,10-dione (1/1)","","- C24 H13 Br O6 -","- C24 H13 Br O6 -","- C96 H52 Br4 O24 -","4","1","WM5383","Tonin, Marlon D. L.; Garden, Simon J.; Jotani, Mukesh M.; Wardell, Solange M. S. V.; Wardell, James L.; Tiekink, Edward R. T.","The 1:1 co-crystal of 2-bromonaphthalene-1,4-dione and 1,8-dihydroxyanthracene-9,10-dione: crystal structure and Hirshfeld surface analysis","Acta Crystallographica Section E","2017","73","5","738","745","10.1107/S2056989017005667","","","1.54184","CuKα","","0.0248","0.0247","","","0.0748","0.0749","","","","","","1.024","","","","has coordinates","199208","2020-10-21","18:00:00",""
"2242248","23.7716","0.0006","7.0073","0.0002","9.0909","0.0002","90","","90.086","0.002","90","","1514.31","0.07","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","2-[(4,6-Diaminopyrimidin-2-yl)sulfanyl]-<i>N</i>-(2,4-dimethylphenyl)acetamide","","- C14 H17 N5 O S -","- C14 H17 N5 O S -","- C56 H68 N20 O4 S4 -","4","1","SU5373","Choudhury, Manisha; Viswanathan, Vijayan; Timiri, Ajay Kumar; Sinha, Barij Nayan; Jayaprakash, Venkatesan; Velmurugan, Devadasan","Crystal structures of 2-[(4,6-diaminopyrimidin-2-yl)sulfanyl]-<i>N</i>-(2,4-dimethylphenyl)acetamide and 2-[(4,6-diaminopyrimidin-2-yl)sulfanyl]-<i>N</i>-(3-methoxyphenyl)acetamide","Acta Crystallographica Section E","2017","73","7","996","1000","10.1107/S2056989017008143","","","0.71073","MoKα","","0.058","0.0399","","","0.1082","0.1193","","","","","","1.056","","","","has coordinates,has Fobs","199209","2020-10-21","18:00:00",""
"2242249","8.014","0.005","8.724","0.005","12.068","0.005","106.561","0.005","97.888","0.005","110.461","0.005","730.9","0.7","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","2-[(4,6-Diaminopyrimidin-2-yl)sulfanyl]-<i>N</i>-(3-methoxyphenyl)acetamide","","- C13 H15 N5 O2 S -","- C13 H15 N5 O2 S -","- C26 H30 N10 O4 S2 -","2","1","SU5373","Choudhury, Manisha; Viswanathan, Vijayan; Timiri, Ajay Kumar; Sinha, Barij Nayan; Jayaprakash, Venkatesan; Velmurugan, Devadasan","Crystal structures of 2-[(4,6-diaminopyrimidin-2-yl)sulfanyl]-<i>N</i>-(2,4-dimethylphenyl)acetamide and 2-[(4,6-diaminopyrimidin-2-yl)sulfanyl]-<i>N</i>-(3-methoxyphenyl)acetamide","Acta Crystallographica Section E","2017","73","7","996","1000","10.1107/S2056989017008143","","","0.71073","MoKα","","0.0417","0.0365","","","0.1037","0.1102","","","","","","0.814","","","","has coordinates,has Fobs","199209","2020-10-21","18:00:00",""
"2242250","11.75","0.004","13.805","0.001","14.737","0.002","68.622","0.011","67.78","0.019","88.557","0.015","2043","0.8","173","2","173","2","","","","","","","","3","P -1","-P 1","2","","<i>rac</i>-(2<i>S</i>,2'<i>S</i>,5'<i>R</i>)-2-Methyl-5'-[(1<i>R</i>,2<i>R</i>,5<i>S</i>,5'<i>R</i>)-1,4,4,5'-tetramethyldihydro-3'<i>H</i>-3,8-dioxaspiro[bicyclo[3.2.1]octane-2,2'-furan]-5'-yl]hexahydro[2,2'-bifuran]-5(2<i>H</i>)-one","","- C22 H34 O6 -","- C22 H34 O6 -","- C88 H136 O24 -","4","2","RZ5214","Piccialli, Vincenzo; Tuzi, Angela; Centore, Roberto","Crystal structure of a new spiro-polytetrahydrofuran compound with translational pseudosymmetry: <i>rac</i>-(2<i>S</i>,2'<i>S</i>,5'<i>R</i>)-2-methyl-5'-[(1<i>R</i>,2<i>R</i>,5<i>S</i>,5'<i>R</i>)-1,4,4,5'-tetramethyldihydro-3'<i>H</i>-3,8-dioxaspiro[bicyclo[3.2.1]octane-2,2'-furan]-5'-yl]hexahydro[2,2'-bifuran]-5(2<i>H</i>)-one","Acta Crystallographica Section E","2017","73","5","780","784","10.1107/S2056989017006065","","","0.71073","MoKα","","0.1092","0.0523","","","0.1002","0.1231","","","","","","1.053","","","","has coordinates,has disorder,has Fobs","199210","2020-10-21","18:00:00",""
"2242251","16.6868","0.0005","4.96","0.0001","17.2353","0.0006","90","","105.909","0.003","90","","1371.87","0.07","100","2","100","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","5-[2-(9<i>H</i>-carbazol-9-yl)ethyl]-1,3,4-oxadiazole-2(3<i>H</i>)-thione","","- C16 H13 N3 O S -","- C16 H13 N3 O S -","- C64 H52 N12 O4 S4 -","4","1","MW2132","Simpson, Jim; Mohamed, Shaaban K.; El-Emary, Talaat I.; Albayati, Mustafa R.","Crystal structure of 5-[2-(9<i>H</i>-carbazol-9-yl)ethyl]-1,3,4-oxadiazole-2(3<i>H</i>)-thione","Acta Crystallographica Section E","2017","73","7","1066","1069","10.1107/S2056989017009252","","","1.54184","CuKα","","0.0479","0.045","","","0.1213","0.1254","","","","","","1.062","","","","has coordinates,has Fobs","199211","2020-10-21","18:00:00",""
"2242252","16.4313","0.0007","7.1909","0.0003","24.7345","0.0011","90","","90","","90","","2922.5","0.2","173","2","173","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","1,3-Bis[(<i>E</i>)-benzylideneamino)propan-2-ol","","- C17 H18 N2 O -","- C17 H18 N2 O -","- C136 H144 N16 O8 -","8","1","SJ5523","Rivera, Augusto; Miranda-Carvajal, Ingrid; Ríos-Motta, Jaime; Bolte, Michael","Crystal structure of 1,3-bis[(<i>E</i>)-benzylideneamino]propan-2-ol","Acta Crystallographica Section E","2017","73","4","627","629","10.1107/S2056989017004741","","","0.71073","MoKα","","0.0582","0.0464","","","0.1049","0.1106","","","","","","1.103","","","","has coordinates,has disorder,has Fobs","199212","2020-10-21","18:00:00",""
"2242253","10.4173","0.0005","10.9849","0.0005","12.0002","0.0006","72.769","0.002","84.623","0.002","89.244","0.002","1305.66","0.11","296","2","296","2","","","","","","","","5","P -1","-P 1","2","","3-(Adamantan-1-yl)-4-(4-fluorophenyl)-1-[(4-phenylpiperazin-1-yl)methyl]-4,5-dihydro-1<i>H</i>-1,2,4-triazole-5-thione","","- C29 H34 F N5 S -","- C29 H34 F N5 S -","- C58 H68 F2 N10 S2 -","2","1","SU5368","Al-Alshaikh, Monirah A.; Al-Mutairi, Aamal A.; Ghabbour, Hazem A.; El-Emam, Ali A.; Abdelbaky, Mohammed S. M.; Garcia-Granda, Santiago","Syntheses and crystal structures of two adamantyl-substituted 1,2,4-triazole-5-thione <i>N</i>-Mannich bases","Acta Crystallographica Section E","2017","73","8","1135","1139","10.1107/S2056989017009756","","","0.71073","MoKα","","0.1175","0.0606","","","0.1377","0.1628","","","","","","1.03","","","","has coordinates,has Fobs","199213","2020-10-21","18:00:00",""
"2242254","11.3074","0.0007","12.1576","0.0008","20.4976","0.0013","90","","101.328","0.002","90","","2762.9","0.3","293","2","293","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","3-(Adamantan-1-yl)-4-(4-fluorophenyl)-1-{[4-(2-methoxyphenyl)piperazin-1-yl]methyl}-4,5-dihydro-1<i>H</i>-1,2,4-triazole-5-thione","","- C30 H36 F N5 O S -","- C30 H36 F N5 O S -","- C120 H144 F4 N20 O4 S4 -","4","1","SU5368","Al-Alshaikh, Monirah A.; Al-Mutairi, Aamal A.; Ghabbour, Hazem A.; El-Emam, Ali A.; Abdelbaky, Mohammed S. M.; Garcia-Granda, Santiago","Syntheses and crystal structures of two adamantyl-substituted 1,2,4-triazole-5-thione <i>N</i>-Mannich bases","Acta Crystallographica Section E","2017","73","8","1135","1139","10.1107/S2056989017009756","","","0.71073","MoKα","","0.1405","0.0548","","","0.1067","0.1327","","","","","","1.01","","","","has coordinates,has Fobs","199213","2020-10-21","18:00:00",""
"2242255","6.819","0.0003","7.7062","0.0003","21.7492","0.0009","90","","90","","90","","1142.89","0.08","294","2","294","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","6-Chloro-1-phenylindoline-2,3-dione","","- C14 H8 Cl N O2 -","- C14 H8 Cl N O2 -","- C56 H32 Cl4 N4 O8 -","4","1","HB7661","Wang, Bing; Lu, Qing; Fang, Qi; Zhang, Ting-ting; Jin, Ying-ying","6-Chloro-1-phenylindoline-2,3-dione: absolute structure, non-linear optical and charge-transport properties","Acta Crystallographica Section E","2017","73","6","908","912","10.1107/S2056989017007630","","","0.71073","MoKα","","0.0348","0.0317","","","0.0877","0.0903","","","","","","1.041","","","","has coordinates,has Fobs","199214","2020-10-21","18:00:00",""
"2242256","5.2945","0.0002","5.2945","0.0002","11.747","0.0005","90","","90","","90","","329.29","0.02","100","2","100","2","","","","","","","","3","I 41/a","-I 4ad","88","sodium pertechnetate","Sodium pertechnetate","","- Na O4 Tc -","- Na O4 Tc -","- Na4 O16 Tc4 -","4","","WM5391","German, Konstantin E.; Grigoriev, Mikhail S.; Garashchenko, Bogdan L.; Kopytin, Alexander V.; Tyupina, Ekaterina A.","Redetermination of the crystal structure of NaTcO~4~ at 100 and 296K based on single-crystal X-ray data","Acta Crystallographica Section E","2017","73","7","1037","1040","10.1107/S2056989017008362","","","0.71073","MoKα","","0.0098","0.0092","","","0.0166","0.0168","","","","","","1.31","","","","has coordinates,has Fobs","199215","2020-10-21","18:00:00",""
"2242257","5.3325","0.0001","5.3325","0.0001","11.8503","0.0003","90","","90","","90","","336.97","0.012","296","2","296","2","","","","","","","","3","I 41/a :2","-I 4ad","88","sodium pertechnetate","Sodium tetraoxidotechnetate(VII)","","- Na O4 Tc -","- Na O4 Tc -","- Na4 O16 Tc4 -","4","0.25","WM5391","German, Konstantin E.; Grigoriev, Mikhail S.; Garashchenko, Bogdan L.; Kopytin, Alexander V.; Tyupina, Ekaterina A.","Redetermination of the crystal structure of NaTcO~4~ at 100 and 296K based on single-crystal X-ray data","Acta Crystallographica Section E","2017","73","7","1037","1040","10.1107/S2056989017008362","","","0.71073","MoKα","","0.0087","0.0081","","","0.0184","0.0186","","","","","","1.161","","","","has coordinates,has Fobs","199215","2020-10-21","18:00:00",""
"2242258","13.412","0.003","11.421","0.002","15.441","0.003","90","","110.5","0.03","90","","2215.4","0.9","123","2","123","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","Diaqua[6,6'-sulfanediylbis(2,2'-bipyridine)]cobalt(II) dinitrate","","- C20 H18 Co N6 O8 S -","- C20 H18 Co N6 O8 S -","- C80 H72 Co4 N24 O32 S4 -","4","1","WM5395","Li, Guo-Ling; Sato, Osamu","A compressed octahedral cobalt(II) complex in the crystal structure of diaqua[6,6'-sulfanediylbis(2,2'-bipyridine)]cobalt(II) dinitrate","Acta Crystallographica Section E","2017","73","7","993","995","10.1107/S2056989017008428","","","0.71073","MoKα","","0.059","0.0417","","","0.0828","0.0898","","","","","","1.061","","","","has coordinates,has Fobs","199216","2020-10-21","18:00:00",""
"2242259","5.1833","0.0007","30.341","0.004","10.6339","0.0015","90","","97.91","0.009","90","","1656.4","0.4","91","2","91","2","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","3-(2,5-Dimethoxy-3,4,6-trimethylphenyl)propyl methacrylate","","- C18 H26 O4 -","- C18 H26 O4 -","- C72 H104 O16 -","4","1","HG5486","Goswami, Shailesh K.; Hanton, Lyall R.; McAdam, C. John; Moratti, Stephen C.; Simpson, Jim","Crystal structures of the polymer precursors 3-(2,5-dimethoxy-3,4,6-trimethylphenyl)propyl methacrylate and 3-(2,4,5-trimethyl-3,6-dioxocyclohexa-1,4-dienyl)propyl methacrylate","Acta Crystallographica Section E","2017","73","5","658","663","10.1107/S2056989017004959","","","0.71073","MoKα","","0.0758","0.0518","","","0.1238","0.1382","","","","","","1.03","","","","has coordinates,has Fobs","199217","2020-10-21","18:00:00",""
"2242260","4.4096","0.0002","11.8425","0.0006","28.2511","0.0016","90","","93.495","0.003","90","","1472.55","0.13","89","2","89","2","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","3-(2,4,5-Trimethyl-3,6-dioxocyclohexa-1,4-dienyl)propyl methacrylate","","- C16 H20 O4 -","- C16 H20 O4 -","- C64 H80 O16 -","4","1","HG5486","Goswami, Shailesh K.; Hanton, Lyall R.; McAdam, C. John; Moratti, Stephen C.; Simpson, Jim","Crystal structures of the polymer precursors 3-(2,5-dimethoxy-3,4,6-trimethylphenyl)propyl methacrylate and 3-(2,4,5-trimethyl-3,6-dioxocyclohexa-1,4-dienyl)propyl methacrylate","Acta Crystallographica Section E","2017","73","5","658","663","10.1107/S2056989017004959","","","0.71073","MoKα","","0.0772","0.0491","","","0.1202","0.1379","","","","","","1.037","","","","has coordinates,has Fobs","199217","2020-10-21","18:00:00",""
"2242261","7.5941","0.0006","10.0703","0.0006","7.8286","0.0006","90","","112.402","0.009","90","","553.51","0.08","100","1","100","1","","","","","","","","4","P 1 21 1","P 2yb","4","Murray <i>N</i>-oxide catalyst","1-Methylimidazole 3-<i>N</i>-oxide monohydrate","","- C4 H8 N2 O2 -","- C4 H8 N2 O2 -","- C16 H32 N8 O8 -","4","2","HB7643","Frampton, Christopher S.; Murray, James I.; Spivey, Alan C.","Crystal structure of 1-methylimidazole 3-oxide monohydrate","Acta Crystallographica Section E","2017","73","3","372","374","10.1107/S2056989017002079","","","1.54184","CuKα","","0.0461","0.0415","","","0.1143","0.1192","","","","","","1.013","","","","has coordinates,has Fobs","199218","2020-10-21","18:00:00",""
"2242262","12.0367","0.001","7.2497","0.0004","16.1396","0.0013","90","","94.404","0.01","90","","1404.22","0.18","200","2","200","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","bis(methanol-κ<i>O</i>)bis(4-benzoylpyridine-κ<i>N</i>)bis(thiocyanato-\ κ<i>N</i>)cobalt(II)","","- C28 H26 Co N4 O4 S2 -","- C28 H26 Co N4 O4 S2 -","- C56 H52 Co2 N8 O8 S4 -","2","0.5","WM5377","Suckert, Stefan; Werner, Julia; Jess, Inke; Näther, Christian","Crystal structure of bis(4-benzoylpyridine-κ<i>N</i>)bis(methanol-κ<i>O</i>)bis(thiocyanato-κ<i>N</i>)cobalt(II)","Acta Crystallographica Section E","2017","73","4","616","619","10.1107/S2056989017004765","","","0.71073","MoKα","","0.0592","0.0519","","","0.1421","0.1489","","","","","","1.076","","","","has coordinates,has Fobs","199219","2020-10-21","18:00:00",""
"2242263","9.0447","0.0012","6.8764","0.0009","10.9021","0.0014","90","","92.959","0.002","90","","677.15","0.15","250","2","250","2","","","","","","","","5","P 1 21/m 1","-P 2yb","11","MIAN","(<i>E</i>)-2-[(4-Chlorophenyl)imino]acenaphthylen-1-one","","- C18 H10 Cl N O -","- C18 H10 Cl N O -","- C36 H20 Cl2 N2 O2 -","2","0.5","","Bao, Lipiao; Olmstead, Marilyn M.","A temperature-dependent phase transformation of (<i>E</i>)-2-[(4-chlorophenyl)imino]acenaphthylen-1-one","Acta Crystallographica Section E","2017","73","8","1255","1258","10.1107/S2056989017010659","","","0.71073","MoKα","","0.0487","0.039","","","0.0914","0.0974","","","","","","1.044","","","","has coordinates,has Fobs","199343","2020-10-21","18:00:00",""
"2242264","9.0764","0.001","6.8187","0.0008","10.745","0.0012","90.88","0.002","92.78","0.002","96.259","0.002","660.12","0.13","90","2","90","2","","","","","","","","5","P -1","-P 1","2","MIAN","(<i>E</i>)-2-[(4-Chlorophenyl)imino]acenaphthylen-1-one","","- C18 H10 Cl N O -","- C18 H10 Cl N O -","- C36 H20 Cl2 N2 O2 -","2","1","","Bao, Lipiao; Olmstead, Marilyn M.","A temperature-dependent phase transformation of (<i>E</i>)-2-[(4-chlorophenyl)imino]acenaphthylen-1-one","Acta Crystallographica Section E","2017","73","8","1255","1258","10.1107/S2056989017010659","","","0.71073","MoKα","","0.0341","0.0311","","","0.0897","0.0919","","","","","","1.078","","","","has coordinates,has Fobs","199343","2020-10-21","18:00:00",""
"2242265","11.4012","0.0004","13.8443","0.0005","17.0264","0.0008","99.134","0.003","95.917","0.003","103.941","0.003","2547.07","0.18","291","2","291.15","","","","","","","","","5","P -1","-P 1","2","","Hexamethyl 4,4',4'',4''',4'''',4'''''-[(1,3,5,2λ^5^,4λ^5^,6λ^5^-triazatriphosphinine-2,2,4,4,6,6-hexayl)hexakis(oxy)]hexabenzoate","","- C48 H42 N3 O18 P3 -","- C48 H42 N3 O18 P3 -","- C96 H84 N6 O36 P6 -","2","1","RZ5218","Zhu, Jing; Hou, Guo Hui; Li, Qian; Zheng, Fu Wei; Wei, Hong Liang; Chu, Hui Juan; Wang, Gang; He, Juan; Qu, Ling Bo","Crystal structure of hexamethyl 4,4',4'',4''',4'''',4'''''-[(1,3,5,2λ^5^,4λ^5^,6λ^5^-triazatriphosphinine-2,2,4,4,6,6-hexayl)hexakis(oxy)]hexabenzoate","Acta Crystallographica Section E","2017","73","8","1252","1254","10.1107/S2056989017010325","","","1.54184","CuKα","","0.0753","0.0575","","","0.1661","0.1813","","","","","","1.026","","","","has coordinates,has Fobs","199344","2020-10-21","18:00:00",""
"2242266","10.656","0.006","14.765","0.008","20.757","0.011","90","","98.378","0.008","90","","3231","3","296","2","296","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","(3,5-Dimethyl-1<i>H</i>-pyrrol-2-yl)diphenylphosphine oxide","","- C18 H18 N O P -","- C18 H18 N O P -","- C144 H144 N8 O8 P8 -","8","1","WM5405","Kang, Sung Kwon; Choi, Eung Man; Son, Kyung-sun","Crystal structure of (3,5-dimethyl-1<i>H</i>-pyrrol-2-yl)diphenylphosphine oxide","Acta Crystallographica Section E","2017","73","8","1268","1270","10.1107/S2056989017010994","","","0.71073","MoKα","","0.059","0.0461","","","0.1265","0.1358","","","","","","1.065","","","","has coordinates,has Fobs","199408","2020-10-21","18:00:00",""
"2242267","7.9623","0.0001","8.1806","0.0002","15.6919","0.0003","97.852","0.007","99.837","0.007","113.206","0.008","901.83","0.08","93","2","93","2","","","","","","","","5","P -1","-P 1","2","Epalerstat acetone monosolvate","(5<i>Z</i>)-5-[(2<i>E</i>)-2-Methyl-3-phenylprop-2-en-1-ylidene]-4-oxo-2-sulfanylidene-1,3-thiazolidine-3-acetic acid acetone monosolvate","","- C18 H19 N O4 S2 -","- C18 H19 N O4 S2 -","- C36 H38 N2 O8 S4 -","2","1","","Putra, Okky Dwichandra; Umeda, Daiki; Fukuzawa, Kaori; Gunji, Mihoko; Yonemochi, Etsuo","A new solvate of epalerstat, a drug for diabetic neuropathy","Acta Crystallographica Section E","2017","73","8","1264","1267","10.1107/S2056989017010751","","","1.54187","CuKα","","0.0542","0.0504","","","0.1346","0.1373","","","","","","1.105","","","","has coordinates,has Fobs","199409","2020-10-21","18:00:00",""
"2242268","13.709","0.002","14.198","0.002","23.339","0.002","72.878","0.01","82.765","0.015","77.051","0.014","4222.2","1","173","2","173","2","","","","","","","","3","P -1","-P 1","2","","<i>rac</i>-(2<i>R</i>,2'<i>R</i>,5'<i>S</i>)-2-Methyl-5'-[(1<i>R</i>,2<i>R</i>,5<i>S</i>,5'<i>S</i>)-1,4,4,5'-tetramethyldihydro-3'<i>H</i>-3,8-dioxaspiro[bicyclo[3.2.1]octane-2,2'-furan]-5'-yl]-3,4,1',2',3',4'-hexahydro-[2,2'-bifuran]-5(2<i>H</i>)-one","","- C22 H34 O6 -","- C22 H34 O6 -","- C176 H272 O48 -","8","4","ZQ2238","Piccialli, Vincenzo; Tuzi, Angela; Centore, Roberto","Pseudosymmetry and high <i>Z</i>' structures: the case of <i>rac</i>-(2<i>R</i>,2'<i>R</i>,5'<i>S</i>)-2-methyl-5'-[(1<i>R</i>,2<i>R</i>,5<i>S</i>,5'<i>S</i>)-1,4,4,5'-tetramethyldihydro-3'<i>H</i>-3,8-dioxaspiro[bicyclo[3.2.1]octane-2,2'-furan]-5'-yl]-3,4,1',2',3',4'-hexahydro-[2,2'-bifuran]-5(2<i>H</i>)-one","Acta Crystallographica Section E","2017","73","9","1282","1286","10.1107/S2056989017010805","","","0.71073","MoKα","","0.1745","0.0667","","","0.1256","0.1569","","","","","","1.025","","","","has coordinates,has disorder,has Fobs","199458","2020-10-21","18:00:00",""
"2242269","7.6995","0.0006","9.2634","0.0008","17.9198","0.0014","90.97","0.004","92.039","0.004","110.902","0.004","1192.64","0.17","296","2","296","2","","","","","","","","4","P -1","-P 1","2","","4,4'-{[2-(5,6-Dihydro-[1,3]dithiolo[4,5-<i>b</i>][1,4]dioxin-2-ylidene)-1,3-dithiole-4,5-diyl]bis(sulfanediyl)}dibenzoic acid 0.25-hydrate","","- C22 H14.5 O6.25 S6 -","- C22 H14.5 O6.25 S6 -","- C44 H29 O12.5 S12 -","2","1","IS5477","Zhang, Yuanyuan; He, Qiqian; Bao, Huijie; Wang, Lejia; Xiao, Xunwen","Crystal structure of ethylenedioxytetrathiafulvalene-4,5-bis(thiolbenzoic acid) 0.25-hydrate","Acta Crystallographica Section E","2017","73","9","1275","1278","10.1107/S2056989017011070","","","0.71073","MoKα","","","0.045","","","0.1062","0.119","","","","","","1.083","","","","has coordinates,has Fobs","199459","2020-10-21","18:00:00",""
"2242270","7.712","0.002","8.554","0.002","10.461","0.002","88.58","0.03","89.82","0.03","73.97","0.03","663.1","0.3","293","2","293","2","","","","","","","","4","P -1","-P 1","2","potassium indium diarsenate","Potassium indium diarsenate(V)","","- As2 In K O7 -","- As2 In K O7 -","- As8 In4 K4 O28 -","4","2","PK2604","Schwendtner, Karolina; Kolitsch, Uwe","KInAs~2~O~7~, a new diarsenate with the TlInAs~2~O~7~ structure type","Acta Crystallographica Section E","2017","73","9","1294","1297","10.1107/S2056989017011318","","","0.71073","MoKα","","0.0212","0.019","","","0.0425","0.0431","","","","","","1.157","","","","has coordinates,has Fobs","199557","2020-10-21","18:00:00",""
"2242271","7.3948","0.0011","9.4609","0.0013","13.5183","0.0019","90","","95.771","0.002","90","","941","0.2","296","2","296.15","","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","5-[(<i>E</i>)-Styryl]-1,3,4-oxathiazol-2-one","","- C10 H7 N O2 S -","- C10 H7 N O2 S -","- C40 H28 N4 O8 S4 -","4","1","HB7694","Nason, Trevor R.; Schriver, Melbourne J.; Hendsbee, Arthur D.; Masuda, Jason D.","Crystal structure determination as part of an ongoing undergraduate organic laboratory project: 5-[(<i>E</i>)-styryl]-1,3,4-oxathiazol-2-one","Acta Crystallographica Section E","2017","73","9","1298","1301","10.1107/S2056989017011264","","","0.71073","MoKα","","0.0474","0.0398","","","0.0977","0.1067","","","","","","1.065","","","","has coordinates,has Fobs","199558","2020-10-21","18:00:00",""
"2242272","13.637","0.002","6.8965","0.0016","11.817","0.003","90","","109.28","0.02","90","","1049","0.4","298","2","298","2","","","","","","","","5","C 1 2/m 1","-C 2y","12","","Ethyl (<i>E</i>)-2-cyano-3-(thiophen-2-yl)acrylate","","- C10 H9 N O2 S -","- C10 H9 N O2 S -","- C40 H36 N4 O8 S4 -","4","0.5","FF2150","Castro Agudelo, Brian; Cárdenas, Juan C.; Macías, Mario A.; Ochoa-Puentes, Cristian; Sierra, Cesar A.","Crystal structure of ethyl (<i>E</i>)-2-cyano-3-(thiophen-2-yl)acrylate: two conformers forming a discrete disorder","Acta Crystallographica Section E","2017","73","9","1287","1289","10.1107/S2056989017010799","","","0.71073","MoKα","","0.0511","0.0468","","","0.1215","0.1259","","","","","","1.138","","","","has coordinates,has disorder,has Fobs","199559","2020-10-21","18:00:00",""
"2242273","5.6859","0.0003","5.6859","0.0003","5.6099","0.0003","90","","90","","120","","157.067","0.014","293.15","","293.15","","","","","","","","","4","P -3 m 1","-P 3 2""","164","","Cerium(IV) bis(phosphite)","","- Ce H2 O6 P2 -","- Ce H2 O6 P2 -","- Ce H2 O6 P2 -","1","0.0833333","WM5407","Byer, Stefano H.; Villa, Eric M.","Synthesis and crystal structure of cerium(IV) bis(phosphite)","Acta Crystallographica Section E","2017","73","9","1290","1293","10.1107/S205698901701115X","","","0.71073","MoKα","","0.0098","0.0098","","","0.0293","0.0293","","","","","","1.258","","","","has coordinates","199560","2020-10-21","18:00:00",""
"2242274","10.6089","0.0003","22.7141","0.0005","8.8959","0.0002","90","","122.211","0.001","90","","1813.73","0.08","296","2","296","2","","","","","","","","5","C 1 c 1","C -2yc","9","","2-Amino-4,4,7,7-tetramethyl-4,5,6,7-tetrahydro-1,3-benzothiazol-3-ium benzoate","","- C18 H24 N2 O2 S -","- C18 H24 N2 O2 S -","- C72 H96 N8 O8 S4 -","4","1","LH5849","Sagar, Belakavadi K.; Girisha, Marisiddaiah; Yathirajan, Hemmige S.; Rathore, Ravindranath S.; Glidewell, Christopher","Crystal structures of 2-amino-4,4,7,7-tetramethyl-4,5,6,7-tetrahydro-1,3-benzothiazol-3-ium benzoate and 2-amino-4,4,7,7-tetramethyl-4,5,6,7-tetrahydro-1,3-benzothiazol-3-ium picrate","Acta Crystallographica Section E","2017","73","9","1320","1325","10.1107/S2056989017011446","","","1.54178","CuKα","","0.0285","0.0276","","","0.0714","0.0722","","","","","","1.051","","","","has coordinates,has disorder,has Fobs","199668","2020-10-21","18:00:00",""
"2242275","10.7928","0.0002","6.9591","0.0001","28.0176","0.0005","90","","97.408","0.001","90","","2086.79","0.06","296","2","296","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","2-Amino-4,4,7,7-tetramethyl-4,5,6,7-tetrahydro-1,3-benzothiazol-3-ium picrate","2-Amino-4,4,7,7-tetramethyl-4,5,6,7-tetrahydro-1,3-benzothiazol-3-ium 2,4,6-trinitrophenolate","","- C17 H21 N5 O7 S -","- C17 H21 N5 O7 S -","- C68 H84 N20 O28 S4 -","4","1","LH5849","Sagar, Belakavadi K.; Girisha, Marisiddaiah; Yathirajan, Hemmige S.; Rathore, Ravindranath S.; Glidewell, Christopher","Crystal structures of 2-amino-4,4,7,7-tetramethyl-4,5,6,7-tetrahydro-1,3-benzothiazol-3-ium benzoate and 2-amino-4,4,7,7-tetramethyl-4,5,6,7-tetrahydro-1,3-benzothiazol-3-ium picrate","Acta Crystallographica Section E","2017","73","9","1320","1325","10.1107/S2056989017011446","","","1.54178","CuKα","","0.0731","0.0525","","","0.1264","0.1388","","","","","","1.067","","","","has coordinates,has disorder,has Fobs","199668","2020-10-21","18:00:00",""
"2242276","13.5654","0.0004","20.0993","0.0006","14.3329","0.0004","90","","99.658","0.003","90","","3852.5","0.2","293.57","0.1","294","","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","Tetrabutylammonium chloride‒1,1'-(1,2-phenylene)bis(3-<i>m</i>-tolylurea) (1/1)","","- C38 H58 Cl N5 O2 -","- C38 H58 Cl N5 O2 -","- C152 H232 Cl4 N20 O8 -","4","1","IM2480","Huang, Chao; Wang, Ruyu; Shu, Xi; Fan, Yu; Qi, Yue; Li, Shoujian; Xia, Chuanqin","Crystal structures of the 2:2 complex of 1,1'-(1,2-phenylene)bis(3-<i>m</i>-tolylurea) and tetrabutylammonium chloride or bromide","Acta Crystallographica Section E","2017","73","9","1316","1319","10.1107/S2056989017009951","","","1.54184","CuKα","","0.0941","0.0815","","","0.2262","0.2518","","","","","","1.0504","","","","has coordinates,has Fobs","199669","2020-10-21","18:00:00",""
"2242277","10.5879","0.0002","20.3165","0.0005","18.0828","0.0003","90","","91.0672","0.0017","90","","3889.1","0.14","293.57","0.1","294","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","Tetrabutylammonium bromide‒1,1'-(1,2-phenylene)bis(3-<i>m</i>-tolylurea) (1/1)","","- C38 H58 Br N5 O2 -","- C38 H58 Br N5 O2 -","- C152 H232 Br4 N20 O8 -","4","1","IM2480","Huang, Chao; Wang, Ruyu; Shu, Xi; Fan, Yu; Qi, Yue; Li, Shoujian; Xia, Chuanqin","Crystal structures of the 2:2 complex of 1,1'-(1,2-phenylene)bis(3-<i>m</i>-tolylurea) and tetrabutylammonium chloride or bromide","Acta Crystallographica Section E","2017","73","9","1316","1319","10.1107/S2056989017009951","","","1.54184","CuKα","","0.0726","0.0625","","","0.1701","0.1849","","","","","","1.0325","","","","has coordinates,has Fobs","199669","2020-10-21","18:00:00",""
"2242278","8.1945","0.0003","8.3733","0.0003","28.3277","0.0009","82.698","0.002","84.183","0.002","81.814","0.002","1901.42","0.12","173","2","173","2","","","","","","","","6","P -1","-P 1","2","penoxsulam","2-(2,2-Difluoroethoxy)-<i>N</i>-(5,8-dimethoxy-1,2,4-triazolo[1,5-<i>c</i>]pyrimidin-2-yl)-6-(trifluoromethyl)benzenesulfonamide","","- C16 H14 F5 N5 O5 S -","- C16 H14 F5 N5 O5 S -","- C64 H56 F20 N20 O20 S4 -","4","2","","Park, Hyunjin; Kim, Jineun; Chiang, Hojae; Kim, Tae Ho","Crystal structure of penoxsulam","Acta Crystallographica Section E","2017","73","9","1312","1315","10.1107/S2056989017011458","","","0.71073","MoKα","","0.0541","0.044","","","0.1014","0.1058","","","","","","1.045","","","","has coordinates,has Fobs","199670","2020-10-21","18:00:00",""
"2242279","6.3414","0.0003","9.1268","0.0005","18.1423","0.0009","90","","95.634","0.002","90","","1044.94","0.09","293","","293","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","(<i>E</i>)-furan-2-carbaldehyde <i>O</i>-benzoyloxime","(<i>E</i>)-(Furan-2-ylmethylidene)amino benzoate","","- C12 H9 N O3 -","- C12 H9 N O3 -","- C48 H36 N4 O12 -","4","1","GW2156","Hijji, Yousef M.; Rajan, Rajeesha; Mansour, Said; Ben Yahia, Hamdi","Crystal structure of (<i>E</i>)-furan-2-carbaldehyde <i>O</i>-benzoyloxime","Acta Crystallographica Section E","2017","73","9","1326","1328","10.1107/S2056989017011562","","","0.71069","MoKα","","0.1013","0.0368","","","0.078","0.1009","","","","","","1.05","","","","has coordinates,has Fobs","199671","2020-10-21","18:00:00",""
"2242280","9.4291","0.0012","15.062","0.0019","12.1595","0.0011","90","","128.252","0.006","90","","1356.1","0.3","296","2","296","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","2-Amino-4-methoxy-6-methylpyrimidinium 2-hydroxybenzoate","","- C13 H15 N3 O4 -","- C13 H15 N3 O4 -","- C52 H60 N12 O16 -","4","1","HB7693","Jeevaraj, Muthaiah; Sivajeyanthi, Palaniyappan; Edison, Bellarmin; Thanigaimani, Kaliyaperumal; Balasubramani, Kasthuri; Razak, Ibrahim Abdul","Crystal structure and Hirshfeld surface analysis of 2-amino-4-methoxy-6-methylpyrimidinium 2-hydroxybenzoate","Acta Crystallographica Section E","2017","73","9","1305","1307","10.1107/S2056989017011252","","","0.71073","MoKα","","0.1027","0.0557","","","0.1359","0.1639","","","","","","1.024","","","","has coordinates,has Fobs","199672","2020-10-21","18:00:00",""
"2242281","8.7525","0.0016","10.691","0.002","11.22","0.002","79.953","0.008","69.969","0.005","87.796","0.007","971","0.3","298","2","298.15","","","","","","","","","4","P -1","-P 1","2","","<i>rac</i>-4-[2-(<i>tert</i>-Butylazaniumyl)-1-hydroxyethyl]-2-(hydroxymethyl)phenol benzoate","","- C20 H27 N O5 -","- C20 H27 N O5 -","- C40 H54 N2 O10 -","2","1","","Liu, Wenju; Chen, Qiliang; Yu, Linda","Crystal structure of <i>rac</i>-4-[2-(<i>tert</i>-butylazaniumyl)-1-hydroxyethyl]-2-(hydroxymethyl)phenol benzoate","Acta Crystallographica Section E","2017","73","9","1333","1335","10.1107/S2056989017011513","","","0.71073","MoKα","","0.0533","0.0422","","","0.1059","0.1123","","","","","","1.046","","","","has coordinates,has disorder,has Fobs","199732","2020-10-21","18:00:00",""
"2242282","6.0044","0.0003","16.4721","0.0007","17.8957","0.0009","90","","90","","90","","1769.98","0.15","100","2","100","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","(<i>E</i>)-<i>N</i>-[2-(1<i>H</i>-Indol-3-yl)ethyl]-1-(anthracen-9-yl)methanimine","","- C25 H20 N2 -","- C25 H20 N2 -","- C100 H80 N8 -","4","1","","Faizi, Md. Serajul Haque; Dege, Necmi; Malinkin, Sergey; Sliva, Tetyana Yu.","Crystal structure and DFT study of (<i>E</i>)-<i>N</i>-[2-(1<i>H</i>-indol-3-yl)ethyl]-1-(anthracen-9-yl)methanimine","Acta Crystallographica Section E","2017","73","9","1329","1332","10.1107/S2056989017011483","","","0.71073","MoKα","","0.0589","0.0412","","","0.0863","0.0926","","","","","","1.043","","","","has coordinates,has Fobs","199733","2020-10-21","18:00:00",""
"2242283","7.507","0.003","12.247","0.005","13.634","0.005","90","","99.278","0.005","90","","1237.1","0.8","291","2","291","2","","","","","","","","3","C 1 2/c 1","-C 2yc","15","Bis(anilinium) azide","μ-Hydrido-bis(4-aminopyridinium) azide","","- C10 H13 N7 -","- C10 H13 N7 -","- C40 H52 N28 -","4","0.5","HB7695","Fábry, Jan","A long symmetric N···H···N hydrogen bond in bis(4-aminopyridinium)(1+) azide(1{-}): redetermination from the original data","Acta Crystallographica Section E","2017","73","9","1344","1347","10.1107/S2056989017011537","","","0.71073","MoKα","","0.0471","0.034","","","0.0807","0.0852","","","","","","1.48","","","","has coordinates,has Fobs","199794","2020-10-21","18:00:00",""
"2242284","25.7608","0.0018","11.0507","0.0005","12.2709","0.001","90","","90.955","0.006","90","","3492.7","0.4","193","2","193","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","3-(4-Bromo-2-chlorophenyl)-1-(pyridin-4-yl)benzo[4,5]imidazo[1,2-<i>d</i>][1,2,4]triazin-4(3<i>H</i>)-one‒3-(4-bromophenyl)-1-(pyridin-4-yl)benzo[4,5]imidazo[1,2-<i>d</i>][1,2,4]triazin-4(3<i>H</i>)-one (1/7)","","- C20 H11.88 Br Cl0.12 N5 O -","- C20 H11.875 Br Cl0.125 N5 O -","- C160 H95 Br8 Cl N40 O8 -","8","1","BT6995","Wahedy, Kanan; Abu Thaher, Bassam; Schollmeyer, Dieter; Almasri, Ihab; Morjan, Rami; Qeshta, Basem; Deigner, Hans-Peter","Crystal structures of pure 3-(4-bromo-2-chlorophenyl)-1-(pyridin-4-yl)benzo[4,5]imidazo[1,2-<i>d</i>][1,2,4]triazin-4(3<i>H</i>)-one and contaminated with 3-(4-bromophenyl)-1-(pyridin-4-yl)benzo[4,5]imidazo[1,2-<i>d</i>][1,2,4]triazin-4(3<i>H</i>)-one","Acta Crystallographica Section E","2017","73","9","1341","1343","10.1107/S2056989017011732","","","0.71073","MoKα","","0.1095","0.0507","","","0.1153","0.1419","","","","","","1.026","","","","has coordinates,has disorder,has Fobs","199795","2020-10-21","18:00:00",""
"2242285","7.1074","0.0007","32.754","0.003","16.1505","0.0015","90","","98.914","0.003","90","","3714.4","0.6","173","2","173","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","3-(4-Bromo-2-chlorophenyl)-1-(pyridin-4-yl)benzo[4,5]imidazo[1,2-<i>d</i>][1,2,4]triazin-4(3<i>H</i>)-one","","- C20 H11 Br Cl N5 O -","- C20 H11 Br Cl N5 O -","- C160 H88 Br8 Cl8 N40 O8 -","8","2","BT6995","Wahedy, Kanan; Abu Thaher, Bassam; Schollmeyer, Dieter; Almasri, Ihab; Morjan, Rami; Qeshta, Basem; Deigner, Hans-Peter","Crystal structures of pure 3-(4-bromo-2-chlorophenyl)-1-(pyridin-4-yl)benzo[4,5]imidazo[1,2-<i>d</i>][1,2,4]triazin-4(3<i>H</i>)-one and contaminated with 3-(4-bromophenyl)-1-(pyridin-4-yl)benzo[4,5]imidazo[1,2-<i>d</i>][1,2,4]triazin-4(3<i>H</i>)-one","Acta Crystallographica Section E","2017","73","9","1341","1343","10.1107/S2056989017011732","","","0.71073","MoKα","","0.1483","0.0471","","","0.0702","0.0893","","","","","","0.716","","","","has coordinates,has Fobs","199795","2020-10-21","18:00:00",""
"2242287","16.148","0.013","8.631","0.009","7.674","0.01","90","","90","","90","","1070","2","297","2","297","2","","","","","","","","4","P b c m","-P 2c 2b","57","","Potassium <i>trans</i>-bicyclo[5.1.0]octane-4-carboxylate monohydrate","","- C9 H15 K O3 -","- C9 H15 K O3 -","- C36 H60 K4 O12 -","4","0.5","PK2603","Corfield, Peter W. R.; Kershaw, Richard A.","Crystal structures of two bicyclo[5.1.0]octanes: potassium <i>trans</i>-bicyclo[5.1.0]octane-4-carboxylate monohydrate and <i>cis</i>-bicyclo[5.1.0]octan-4-yl 4-bromobenzenesulfonate","Acta Crystallographica Section E","2017","73","9","1357","1362","10.1107/S2056989017011756","","","0.7107","MoKα","","0.0562","0.0341","","","0.0856","0.096","","","","","","1.004","","","","has coordinates,has disorder","199898","2020-10-21","18:00:00",""
"2242288","12.829","0.001","9.759","0.001","11.73","0.002","90","","95.74","0.01","90","","1461.2","0.3","297","2","297","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","<i>cis</i>-Bicyclo[5.1.0]octan-4-yl 4-bromobenzenesulfonate","","- C14 H17 Br O3 S -","- C14 H17 Br O3 S -","- C56 H68 Br4 O12 S4 -","4","1","","Corfield, Peter W. R.; Kershaw, Richard A.","Crystal structures of two bicyclo[5.1.0]octanes: potassium <i>trans</i>-bicyclo[5.1.0]octane-4-carboxylate monohydrate and <i>cis</i>-bicyclo[5.1.0]octan-4-yl 4-bromobenzenesulfonate","Acta Crystallographica Section E","2017","73","9","1357","1362","10.1107/S2056989017011756","","","1.5418","CuKα","","0.0309","0.0274","","","0.0887","0.0905","","","","","","1.08","","","","has coordinates,has Fobs","199898","2020-10-21","18:00:00",""
"2242289","5.4258","0.0002","8.9491","0.0003","11.4365","0.0003","90","","94.092","0.003","90","","553.9","0.03","123","2","123","2","","","","","","","","4","P 1 21 1","P 2yb","4","Hibiscus acid dimethyl sulfoxide monosolvate","(2<i>S</i>,3<i>R</i>)-3-Hydroxy-5-oxo-2,3,4,5-tetrahydrofuran-2,3-dicarboxylic acid dimethyl sulfoxide monosolvate","","- C8 H12 O8 S -","- C8 H12 O8 S -","- C16 H24 O16 S2 -","2","1","ZS2386","Zheoat, Ahmed M.; Gray, Alexander I.; Igoli, John O.; Kennedy, Alan R.; Ferro, Valerie A.","Crystal structures of hibiscus acid and hibiscus acid dimethyl ester isolated from <i>Hibiscus sabdariffa</i> (Malvaceae)","Acta Crystallographica Section E","2017","73","9","1368","1371","10.1107/S2056989017011902","","","1.5418","CuKα","","0.0569","0.0473","","","0.1079","0.1132","","","","","","1.045","","","","has coordinates,has Fobs","199899","2020-10-21","18:00:00",""
"2242290","9.3057","0.0006","7.6934","0.0006","13.4012","0.0011","90","","96.243","0.007","90","","953.74","0.12","123","2","123","2","","","","","","","","3","P 1 21 1","P 2yb","4","hibiscus acid dimethyl ester","Dimethyl (2<i>S</i>,3<i>R</i>)-3-Hydroxy-5-oxo-2,3,4,5-tetrahydrofuran-2,3-dicarboxylate","","- C8 H10 O7 -","- C8 H10 O7 -","- C32 H40 O28 -","4","2","ZS2386","Zheoat, Ahmed M.; Gray, Alexander I.; Igoli, John O.; Kennedy, Alan R.; Ferro, Valerie A.","Crystal structures of hibiscus acid and hibiscus acid dimethyl ester isolated from <i>Hibiscus sabdariffa</i> (Malvaceae)","Acta Crystallographica Section E","2017","73","9","1368","1371","10.1107/S2056989017011902","","","1.5418","CuKα","","0.0545","0.0437","","","0.1073","0.121","","","","","","1.096","","","","has coordinates,has Fobs","199899","2020-10-21","18:00:00",""
"2242291","8.0872","0.0002","9.4146","0.0002","13.0721","0.0003","75.858","0.001","78.46","0.001","77.488","0.001","930.75","0.04","200","2","200","2","","","","","","","","5","P -1","-P 1","2","","Bis(μ-<i>N</i>,<i>N</i>-diallyldithiocarbamato)bis[(<i>N</i>,<i>N</i>-diallyldithiocarbamato)cadmium]","","- C28 H40 Cd2 N4 S8 -","- C28 H40 Cd2 N4 S8 -","- C28 H40 Cd2 N4 S8 -","1","0.5","ZL2710","Onwudiwe, Damian C.; Hrubaru, Madalina; Hosten, Eric C.; Arderne, Charmaine","Bis(μ-<i>N</i>,<i>N</i>-diallyldithiocarbamato)bis[(<i>N</i>,<i>N</i>-diallyldithiocarbamato)cadmium]","Acta Crystallographica Section E","2017","73","9","1353","1356","10.1107/S2056989017011616","","","0.71073","MoKα","","0.0168","0.015","","","0.0356","0.0371","","","","","","1.152","","","","has coordinates,has Fobs","199900","2020-10-21","18:00:00",""
"2242293","7.17","0.0003","8.9723","0.0004","19.8379","0.0007","90","","90","","90","","1276.2","0.09","153","2","153","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","Poly[tri-μ-aqua-(μ-2-carboxylatopyrrolidine-1-carbodithioato)dipotassium]","","- C6 H13 K2 N O5 S2 -","- C6 H13 K2 N O5 S2 -","- C24 H52 K8 N4 O20 S8 -","4","1","ZL2712","Liebing, Phil","Crystal structure of dipotassium <i>N</i>-carbodithioato-<small>L</small>-prolinate trihydrate","Acta Crystallographica Section E","2017","73","9","1375","1378","10.1107/S2056989017011999","","","0.71073","MoKα","","0.0293","0.0229","","","0.0409","0.0418","","","","","","0.965","","","","has coordinates,has Fobs","199967","2020-10-21","18:00:00",""
"2242294","6.8571","0.0004","4.7724","0.0003","32.001","0.0017","90","","95.916","0.004","90","","1041.65","0.11","173","2","173","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","2,6-Dibenzylpyrrolo[3,4-<i>f</i>]isoindole-1,3,5,7(2<i>H</i>,6<i>H</i>)-\ tetrathione","","- C24 H16 N2 S4 -","- C24 H16 N2 S4 -","- C48 H32 N4 S8 -","2","0.5","","Im, Hansu; Park, Hyunjin; Kim, Tae Ho; Woo, Chang Hwa","Crystal structure of 2,6-dibenzylpyrrolo[3,4-<i>f</i>]isoindole-1,3,5,7(2<i>H</i>,6<i>H</i>)-tetrathione","Acta Crystallographica Section E","2017","73","9","1379","1381","10.1107/S2056989017012154","","","0.71073","MoKα","","0.044","0.0381","","","0.0862","0.0885","","","","","","1.046","","","","has coordinates,has Fobs","199968","2020-10-21","18:00:00",""
"2242295","8.2799","0.0008","8.9169","0.0009","9.7451","0.001","104.597","0.003","112.569","0.003","105.22","0.003","588.7","0.11","100","2","100","2","","","","","","","","5","P -1","-P 1","2","<i>N</i>-(4-Hydroxybenzyl)acetone thiosemicarbazone","","","- C11 H15 N3 O S -","- C11 H15 N3 O S -","- C22 H30 N6 O2 S2 -","2","1","ZS2385","Argibay-Otero, Saray; Vázquez-López, Ezequiel M.","Crystal structure of <i>N</i>-(4-hydroxybenzyl)acetone thiosemicarbazone","Acta Crystallographica Section E","2017","73","9","1382","1384","10.1107/S2056989017012129","","","0.71073","MoKα","","0.0398","0.0322","","","0.0781","0.0824","","","","","","1","","","","has coordinates,has Fobs","199969","2020-10-21","18:00:00",""
"2242296","5.5322","0.0002","7.8707","0.0003","32.9092","0.0014","90","","90","","90","","1432.94","0.1","173","2","173","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","<i>N</i>-[2-(Cyclohexylsulfanyl)ethyl]quinolinic acid imide","6-[2-(Cyclohexylsulfanyl)ethyl]-5<i>H</i>-pyrrolo[3,4-<i>b</i>]pyridine-5,7(6<i>H</i>)-dione","","- C15 H18 N2 O2 S -","- C15 H18 N2 O2 S -","- C60 H72 N8 O8 S4 -","4","1","","Park, Hyunjin; Choi, Myong Yong; Moon, Cheol Joo; Kim, Tae Ho","Crystal structure of <i>N</i>-[2-(cyclohexylsulfanyl)ethyl]quinolinic acid imide","Acta Crystallographica Section E","2017","73","9","1372","1374","10.1107/S2056989017012142","","","0.71073","MoKα","","0.0392","0.0341","","","0.0697","0.072","","","","","","1.042","","","","has coordinates,has Fobs","199970","2020-10-21","18:00:00",""
"2242297","9.1532","0.0006","8.7029","0.0008","8.7336","0.0005","90","","90","","90","","695.71","0.09","100","2","100","2","","","","","","","","4","C m c 21","C 2c -2","36","7-Azabicyclo[2.2.1]heptane hydrochloride","7-Azabicyclo[2.2.1]heptan-7-ium chloride","","- C6 H12 Cl N -","- C6 H12 Cl N -","- C24 H48 Cl4 N4 -","4","0.5","ZL2713","Britvin, Sergey N.; Rumyantsev, Andrey M.","The 7-azanorbornane nucleus of epibatidine: 7-azabicyclo[2.2.1]heptan-7-ium chloride","Acta Crystallographica Section E","2017","73","9","1385","1388","10.1107/S2056989017012105","","","0.71073","MoKα","","0.0177","0.0174","","","0.0474","0.0476","","","","","","1.152","","","","has coordinates,has Fobs","200061","2020-10-21","18:00:00",""
"2242298","12.307","0.0004","13.2871","0.0004","13.8499","0.0003","90.907","0.002","100.748","0.002","109.938","0.003","2083.95","0.11","100","2","100","2","","","","","","","","4","P -1","-P 1","2","","1-[2-(4-Nitrophenyl)-4,5-diphenyl-1<i>H</i>-imidazol-1-yl]propan-2-ol","","- C24 H21 N3 O3 -","- C24 H21 N3 O3 -","- C96 H84 N12 O12 -","4","2","HG5491","Simpson, Jim; Mohamed, Shaaban K.; Marzouk, Adel A.; Abdelhamid, Antar A.; Albayati, Mustafa R.","Crystal structure of 1-[2-(4-nitrophenyl)-4,5-diphenyl-1<i>H</i>-imidazol-1-yl]propan-2-ol","Acta Crystallographica Section E","2017","73","9","1398","1401","10.1107/S2056989017011057","","","1.54184","CuKα","","0.0819","0.0724","","","0.2041","0.2157","","","","","","1.09","","","","has coordinates,has Fobs","200062","2020-10-21","18:00:00",""
"2242299","7.6904","0.0004","13.0429","0.0007","9.022","0.0004","90","","90.081","0.002","90","","904.95","0.08","100","2","100","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","4-Amino-3-(thiophen-3-ylmethyl)-1<i>H</i>-1,2,4-triazole-5(4<i>H</i>)-thione","","- C7 H8 N4 S2 -","- C7 H8 N4 S2 -","- C28 H32 N16 S8 -","4","1","ZP2023","Vu Quoc, Trung; Nguyen Ngoc, Linh; Do Truc, Vy; Duong Khanh, Linh; Ha Manh, Hung; Thang Pham, Chien; Van Meervelt, Luc","Crystal structure of 4-amino-3-(thiophen-3-ylmethyl)-1<i>H</i>-1,2,4-triazole-5(4<i>H</i>)-thione","Acta Crystallographica Section E","2017","73","9","1389","1392","10.1107/S2056989017012191","","","0.71073","MoKα","","0.0313","0.0274","","","0.0693","0.0713","","","","","","1.049","","","","has coordinates,has disorder,has Fobs","200063","2020-10-21","18:00:00",""
"2242300","10.8863","0.001","7.6256","0.0007","16.53","0.0015","90","","106.31","0.004","90","","1317","0.2","100","2","100","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","<i>N</i>-(7-Bromomethyl-1,8-naphthyridin-2-yl)acetamide dioxane hemisolvate","","- C13 H14 Br N3 O2 -","- C13 H14 Br N3 O2 -","- C52 H56 Br4 N12 O8 -","4","1","","Rosin, Robert; Seichter, Wilhelm; Mazik, Monika","Crystal structures of the dioxane hemisolvates of <i>N</i>-(7-bromomethyl-1,8-naphthyridin-2-yl)acetamide and bis[<i>N</i>-(7-dibromomethyl-1,8-naphthyridin-2-yl)acetamide]","Acta Crystallographica Section E","2017","73","10","1409","1413","10.1107/S2056989017012208","","","0.71073","MoKα","","0.0682","0.0512","","","0.1337","0.1436","","","","","","1.031","","","","has coordinates,has Fobs","200203","2020-10-21","18:00:00",""
"2242301","9.4065","0.0005","9.5271","0.0005","16.6464","0.001","88.777","0.003","81.057","0.002","64.928","0.002","1333.15","0.13","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","Bis[<i>N</i>-(7-dibromomethyl-1,8-naphthyridin-2-yl)acetamide] dioxane hemisolvate","","- C24 H22 Br4 N6 O3 -","- C24 H22 Br4 N6 O3 -","- C48 H44 Br8 N12 O6 -","2","1","","Rosin, Robert; Seichter, Wilhelm; Mazik, Monika","Crystal structures of the dioxane hemisolvates of <i>N</i>-(7-bromomethyl-1,8-naphthyridin-2-yl)acetamide and bis[<i>N</i>-(7-dibromomethyl-1,8-naphthyridin-2-yl)acetamide]","Acta Crystallographica Section E","2017","73","10","1409","1413","10.1107/S2056989017012208","","","0.71073","MoKα","","0.032","0.0294","","","0.0728","0.074","","","","","","1.12","","","","has coordinates,has disorder,has Fobs","200203","2020-10-21","18:00:00",""
"2242302","5.2243","0.0003","6.7414","0.0004","11.2772","0.0006","90","","94.82","0.002","90","","395.77","0.04","100","2","100","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","Dimethyl sulfoxide","","- C2 H6 O S -","- C2 H6 O S -","- C8 H24 O4 S4 -","4","1","WM5409","Reuter, Hans","Structural parameters of dimethyl sulfoxide, DMSO, at 100K, based on a redetermination by use of high-quality single-crystal X-ray data","Acta Crystallographica Section E","2017","73","10","1405","1408","10.1107/S2056989017012464","","","0.71073","MoKα","","0.0322","0.0242","","","0.0577","0.0615","","","","","","1.126","","","","has coordinates,has Fobs","200204","2020-10-21","18:00:00",""
"2242303","12.872","0.006","10.139","0.005","13.46","0.006","90","","103.104","0.009","90","","1710.9","1.4","298","2","298","2","","","","","","","","5","P 1 21 1","P 2yb","4","(1<i>S</i>,2<i>S</i>,5<i>R</i>)-5-(acetylamino)-4-oxo-2,3-diphenyl-1,3-\ thiazinan-1-ium-1-olate","(1<i>S</i>,2<i>S</i>,5<i>R</i>)-5-Acetylamino-4-oxo-2,3-diphenyl-1,3-thiazinan-1-ium-1-olate","","- C18 H18 N2 O3 S -","- C18 H18 N2 O3 S -","- C72 H72 N8 O12 S4 -","4","2","ZS2387","Yennawar, Hemant P.; Noble, Duncan J.; Silverberg, Lee J.","Crystal structure of (1<i>S</i>,2<i>S</i>,5<i>R</i>)-5-acetylamino-4-oxo-2,3-diphenyl-1,3-thiazinan-1-ium-1-olate","Acta Crystallographica Section E","2017","73","10","1417","1420","10.1107/S2056989017012488","","","0.71073","MoKα","","0.0562","0.0489","","","0.1204","0.1276","","","","","","1.024","","","","has coordinates,has Fobs","200205","2020-10-21","18:00:00",""
"2242304","10.257","0.0018","7.6151","0.0013","11.503","0.002","90","","101.11","0.003","90","","881.6","0.3","296","2","296","2","","","","","","","","3","P 1 21 1","P 2yb","4","7-hydroxyroyleanone","(4b<i>S</i>,8a<i>S</i>,10<i>S</i>)-3,10-Dihydroxy-2-isopropyl-4b,8,8-trimethyl-4b,5,6,7,8,8a,9,10-octahydrophenanthrene-1,4-dione","","- C20 H28 O4 -","- C20 H28 O4 -","- C40 H56 O8 -","2","1","","Xu, Shicheng; Ma, Xinhua; Ke, Ruifang; Deng, Shihao; Yang, Xinzhou; Song, Ping","Crystal structure of 7β-hydroxyroyleanone isolated from <i>Taxodium ascendens</i> (B.)","Acta Crystallographica Section E","2017","73","10","1414","1416","10.1107/S2056989017011987","","","0.71073","MoKα","","0.0322","0.0303","","","0.0812","0.083","","","","","","1.029","","","","has coordinates,has Fobs","200206","2020-10-21","18:00:00",""
"2300629","6.1352","0.0004","6.1352","0.0004","18.1726","0.0012","90","","90","","90","","684.03","0.08","300","2","300","2","","","","","","","","5","P 43 21 2","P 4nw 2abw","96","","","","- C2 H10 N2 O4 Se -","- C2 H10 N2 O4 Se -","- C8 H40 N8 O16 Se4 -","4","0.5","TO5159","Martin, Alexander T.; Nichols, Shane M.; Li, Sichao; Tan, Melissa; Kahr, Bart","Double cone of eigendirections in optically active ethylenediammonium selenate crystals","Journal of Applied Crystallography","2017","50","4","1117","1124","10.1107/S1600576717007865","","","0.71073","MoKα","","0.0243","0.0208","","","0.0549","0.0557","","","","","","1.202","","","","has coordinates,has Fobs","199600","2020-10-21","18:00:00",""
"2300660","9.5277","0.0008","11.1555","0.0011","11.7848","0.001","90","","90","","90","","1252.56","0.19","293","2","293","2","","","","","","","","4","P n a 21","P 2c -2n","33","","","","- C15 H15 N O -","- C15 H15 N O -","- C60 H60 N4 O4 -","4","1","EI5022","Goel, Sahil; Yadav, Harsh; Sinha, Nidhi; Singh, Budhendra; Bdikin, Igor; Rao, Devarapalli Chenna; Gopalaiah, Kovuru; Kumar, Binay","An insight into the synthesis, crystal structure, geometrical modelling of crystal morphology, Hirshfeld surface analysis and characterization ofN-(4-methylbenzyl)benzamide single crystals","Journal of Applied Crystallography","2017","50","5","1498","","10.1107/S1600576717012316","","","0.71073","MoKα","","0.1902","0.0633","","","0.0763","0.1079","","","","","","0.972","","","","has coordinates","246053","2020-10-21","18:00:00",""
"2311087","5.928","","12.26","","5.794","","90","","90","","90","","421.092","","293","2","293","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C3 H7 N O2 -","- C3 H7 N O2 -","- C12 H28 N4 O8 -","4","1","","Hoser, Anna A.; Madsen, Anders Ø.","Dynamic quantum crystallography: lattice-dynamical models refined against diffraction data. II. Applications to <small>L</small>-alanine, naphthalene and xylitol","Acta Crystallographica Section A","2017","73","2","102","114","10.1107/S2053273316018994","","","0.711","MoKα","","0.0312","0.0288","","","0.0874","0.0897","","","","","","0.742","","","","has coordinates","195195","2020-10-21","18:00:00",""
"2311088","7.8248","0.0002","5.9349","0.0001","8.0997","0.0002","90","","114.441","0.002","90","","342.438","0.015","293","2","293","2","","","","","","","","2","P 1 21/c 1","-P 2ybc","14","","","","- C10 H8 -","- C10 H8 -","- C20 H16 -","2","0.5","","Hoser, Anna A.; Madsen, Anders Ø.","Dynamic quantum crystallography: lattice-dynamical models refined against diffraction data. II. Applications to <small>L</small>-alanine, naphthalene and xylitol","Acta Crystallographica Section A","2017","73","2","102","114","10.1107/S2053273316018994","","","0.71073","MoKα","","0.0517","0.0318","","","0.0844","0.0852","","","","","","0.25","","","","has coordinates","219800","2020-10-21","18:00:00",""
"2311089","8.262","","8.9","","8.923","","90","","90","","90","","656.124","","122","2","122","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C5 H12 O5 -","- C5 H12 O5 -","- C20 H48 O20 -","4","1","","Hoser, Anna A.; Madsen, Anders Ø.","Dynamic quantum crystallography: lattice-dynamical models refined against diffraction data. II. Applications to <small>L</small>-alanine, naphthalene and xylitol","Acta Crystallographica Section A","2017","73","2","102","114","10.1107/S2053273316018994","","","0.71073","MoKα","","0.0387","0.0325","","","0.0703","0.0712","","","","","","1.642","","","","has coordinates","195195","2020-10-21","18:00:00",""
"2311090","7.808","0.006","5.943","0.002","8.097","0.005","90","","114.4","0.05","90","","342.2","0.4","80","2","80","2","","","","","","","","2","P 1 21/c 1","-P 2ybc","14","","","","- C10 H8 -","- C10 H8 -","- C20 H16 -","2","0.5","","Hoser, Anna A.; Madsen, Anders Ø.","Dynamic quantum crystallography: lattice-dynamical models refined against diffraction data. II. Applications to <small>L</small>-alanine, naphthalene and xylitol","Acta Crystallographica Section A","2017","73","2","102","114","10.1107/S2053273316018994","","","0.8397","","","0.0461","0.0416","","","0.1155","0.1227","","","","","","1.056","","","","has coordinates","195195","2020-10-21","18:00:00",""
"2311091","48.275","0.01","8.932","0.0018","24.604","0.005","90","","119.72","0.03","90","","9214","4","100","2","100","2","","","","","","","","4","C 1 2 1","C 2y","5","","","","- C73 H120 N16 O19.5 -","- C73 H120 N16 O19.5 -","- C292 H480 N64 O78 -","4","1","","Gessmann, Renate; Axford, Danny; Brückner, Hans; Berg, Albrecht; Petratos, Kyriacos","A natural, single-residue substitution yields a less active peptaibiotic: the structure of bergofungin A at atomic resolution","Acta Crystallographica Section F","2017","73","2","95","100","10.1107/S2053230X17001236","","","0.7293","","","0.1026","0.0673","","","0.1521","0.1721","","","","","","0.954","","","","has coordinates,has Fobs","193939","2020-10-21","18:00:00",""
"2311276","9.6475","0.0007","10.7392","0.0008","25.629","0.002","90","","68.684","0.003","90","","2473.7","0.3","200","","200","","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C21 H35 Cl N O2 P2 Re -","- C21 H35 Cl N O2 P2 Re -","- C84 H140 Cl4 N4 O8 P8 Re4 -","4","1","","Glatz, Mathias; Stöger, Berthold; Kirchner, Karl","Non-order-disorder allotwinning of the rhenium pincer complex cis-Re[(PNP<sup>CH<sub>2</sub></sup>-iPr)(CO)<sub>2</sub>Cl].","Acta crystallographica Section B, Structural science, crystal engineering and materials","2017","73","Pt 5","941","949","10.1107/S205252061701006X","","x-ray","0.71075","MoKα","","0.105","0.0476","","","0.0477","0.0526","","","","2.03","2.03","1.71","","","","has coordinates","245749","2020-10-21","18:00:00",""
"2311277","18.6854","0.0013","10.7708","0.0008","25.599","0.003","90","","107.48","0.004","90","","4914.1","0.8","200","","200","","","","","","","","","7","I 1 2/a 1","-I 2ya","15","","","","- C21 H35 Cl N O2 P2 Re -","- C21 H35 Cl N O2 P2 Re -","- C168 H280 Cl8 N8 O16 P16 Re8 -","8","1","","Glatz, Mathias; Stöger, Berthold; Kirchner, Karl","Non-order-disorder allotwinning of the rhenium pincer complex cis-Re[(PNP<sup>CH<sub>2</sub></sup>-iPr)(CO)<sub>2</sub>Cl].","Acta crystallographica Section B, Structural science, crystal engineering and materials","2017","73","Pt 5","941","949","10.1107/S205252061701006X","","x-ray","0.71075","MoKα","","0.105","0.0476","","","0.0477","0.0526","","","","2.03","2.03","1.71","","","","has coordinates","245749","2020-10-21","18:00:00",""
"2311347","8.0245","0.0004","13.2482","0.0009","30.454","0.0019","90","","90","","90","","3237.6","0.3","213","2","213","2","","","","","","","","6","P b c n","-P 2n 2ab","60","","Bis{<i>N</i>'-[(<i>E</i>)-4-hydroxybenzylidene]pyridine-4-carbohydrazide-κ<i>N</i>^1^}diiodidocadmium methanol disolvate","","- C28 H30 Cd I2 N6 O6 -","- C28 H30 Cd I2 N6 O6 -","- C112 H120 Cd4 I8 N24 O24 -","4","0.5","SJ5516","Afkhami, Farhad Akbari; Krautscheid, Harald; Atioğlu, Zeliha; Akkurt, Mehmet","Crystal structure of bis-{<i>N</i>'-[(<i>E</i>)-4-hy-droxy-benzyl-idene]pyridine-4-carbohydrazide-κ<i>N</i><sup>1</sup>}di-iodidocadmium methanol disolvate.","Acta crystallographica. Section E, Crystallographic communications","2017","73","Pt 1","28","30","10.1107/S2056989016019575","","","0.71073","MoKα","","0.0481","0.0398","","","0.0925","0.0939","","","","","","0.881","","","","has coordinates","245814","2020-10-21","18:00:00",""
"2311348","5.97796","0.00017","15.096","0.0004","5.32067","0.00019","90","","93.9341","0.0013","90","","479.02","0.03","300","","300","","","","","","","","","4","P 1 21/m 1","-P 2yb","11","dirubidium hydrogen citrate","Dirubidium hydrogen citrate","","- C6 H6 O7 Rb2 -","- C6 H6 O7 Rb2 -","- C12 H12 O14 Rb4 -","2","0.5","VN2120","Rammohan, Alagappa; Kaduk, James A.","Crystal structure of dirubidium hydrogen citrate from laboratory X-ray powder diffraction data and DFT comparison.","Acta crystallographica. Section E, Crystallographic communications","2017","73","Pt 1","92","95","10.1107/S2056989016020168","powder diffraction","","1.54063","Kα~1~","","","","","","","","","","1.82","","","","","","","has coordinates","245815","2020-10-21","18:00:00",""
"2311349","5.978","","15.0961","","5.3207","","90","","93.9354","","90","","479.032","","300","","","","","","","","","","","4","P 1 21/m 1","-P 2yb","11","","","","- C6 H6 O7 Rb2 -","- C6 H6 O7 Rb2 -","- C12 H12 O14 Rb4 -","2","0.5","","Rammohan, Alagappa; Kaduk, James A.","Crystal structure of dirubidium hydrogen citrate from laboratory X-ray powder diffraction data and DFT comparison.","Acta crystallographica. Section E, Crystallographic communications","2017","73","Pt 1","92","95","10.1107/S2056989016020168","","","","","","","","","","","","","","","","","","","","","has coordinates","245815","2020-10-21","18:00:00",""
"2311350","19.509","0.002","8.2306","0.0013","11.1","0.002","90","","90","","90","","1782.3","0.5","303","2","303","1","","","","","","","","4","P n a 21","P 2c -2n","33","","Poly[bis(μ~3~-cyanido-κ^3^<i>C</i>:<i>C</i>:<i>N</i>)tris(μ~2~-cyanido-κ^2^<i>C</i>:<i>N</i>)bis(<i>N</i>-methylethane-1,2-diamine\- κ^2^<i>N</i>,<i>N</i>')tricopper(I)copper(II)]","","- C11 H20 Cu4 N9 -","- C11 H20 Cu4 N9 -","- C44 H80 Cu16 N36 -","4","1","PK2594","Corfield, Peter W. R.; Sabatino, Alexander","Crystal structures of two mixed-valence copper cyanide complexes with <i>N</i>-methyl-ethylenedi-amine.","Acta crystallographica. Section E, Crystallographic communications","2017","73","Pt 2","141","146","10.1107/S2056989017000111","","","0.7107","MoKα","","0.0189","0.018","","","0.0445","0.0447","","","","","","1.046","","","","has coordinates","245816","2020-10-21","18:00:00",""
"2311351","7.5621","0.0002","8.8689","0.0002","12.8098","0.0003","94.6851","0.0014","101.861","0.0012","108.378","0.0013","787.91","0.03","300","1","300","1","","","","","","","","5","P -1","-P 1","2","bis(N-methylethylenediamine)copper(II)-μ-cyano-copper(I)dicyanide","[(<i>N</i>-Methylethylenediamine-κ^2^<i>N</i>,<i>N</i>')copper(II)]-μ~2~-cyanido-κ^2^<i>C</i>:<i>N</i>-[bis(cyanido-κ<i>C</i>)copper(I)] monohydrate","","- C9 H22 Cu2 N7 O -","- C9 H22 Cu2 N7 O -","- C18 H44 Cu4 N14 O2 -","2","1","","Corfield, Peter W. R.; Sabatino, Alexander","Crystal structures of two mixed-valence copper cyanide complexes with <i>N</i>-methyl-ethylenedi-amine.","Acta crystallographica. Section E, Crystallographic communications","2017","73","Pt 2","141","146","10.1107/S2056989017000111","","","0.7107","MoKα","","0.0224","0.0205","","","0.0517","0.0529","","","","","","1.073","","","","has coordinates","245816","2020-10-21","18:00:00",""
"2311352","8.7362","0.0002","20.5351","0.00016","5.1682","0.0005","90","","90","","90","","927.17","0.09","300","","300","","","","","","","","","4","P n a 21","P 2c -2n","33","cesium dihydrogen citrate","cesium dihydrogen citrate","","- C6 H7 Cs O7 -","- C6 H7 Cs O7 -","- C24 H28 Cs4 O28 -","4","1","VN2124","Rammohan, Alagappa; Kaduk, James A.","Crystal structure of caesium di-hydrogen citrate from laboratory X-ray powder diffraction data and DFT comparison.","Acta crystallographica. Section E, Crystallographic communications","2017","73","Pt 2","133","136","10.1107/S2056989017000135","powder diffraction","","1.54063","Kα~1~","","","","","","","","","","3.43","","","","","","","has coordinates","245817","2020-10-21","18:00:00",""
"2311353","8.7362","","20.5351","","5.1682","","90","","90","","90","","927.169","","300","","","","","","","","","","","4","P n a 21","P 2c -2n","33","","","","- C6 H7 Cs O7 -","- C6 H7 Cs O7 -","- C24 H28 Cs4 O28 -","4","1","","Rammohan, Alagappa; Kaduk, James A.","Crystal structure of caesium di-hydrogen citrate from laboratory X-ray powder diffraction data and DFT comparison.","Acta crystallographica. Section E, Crystallographic communications","2017","73","Pt 2","133","136","10.1107/S2056989017000135","","","1.5418","CuKα","","","","","","","","","","","","","","","","","has coordinates","245817","2020-10-21","18:00:00",""
"2311354","14.3221","0.0006","14.3742","0.0006","17.4049","0.0007","66.915","0.002","81.233","0.002","78.528","0.002","3219.3","0.2","100","2","100","2","","","","","","","","4","P -1","-P 1","2","","Bis(μ-benzoato-κ^2^<i>O</i>:<i>O</i>')bis(benzoato-κ<i>O</i>)octabutyldi-μ~3~-oxido-tetratin(IV)","","- C60 H92 O10 Sn4 -","- C60 H92 O10 Sn4 -","- C120 H184 O20 Sn8 -","2","1","ZL2692","Reuter, Hans; Okio, Coco K. Y. A.","Bis(μ-benzoato-κ<sup>2</sup><i>O</i>:<i>O</i>')bis-(benzoato-κ<i>O</i>)octabutyldi-μ<sub>3</sub>-oxido-tetra-tin(IV).","Acta crystallographica. Section E, Crystallographic communications","2017","73","Pt 3","322","326","10.1107/S2056989017001505","","","0.71073","MoKα","","0.0239","0.019","","","0.0407","0.0429","","","","","","1.039","","","","has coordinates,has disorder","245818","2020-10-21","18:00:00",""
"2311355","10.0052","0.0006","10.2173","0.0005","10.6694","0.0005","87.515","0.004","68.625","0.005","73.988","0.005","974.27","0.1","295","2","295","2","","","","","","","","6","P -1","-P 1","2","","Poly[[aqua(μ-2,3-dihydrothieno[3,4-<i>b</i>][1,4]dioxine-5,7-dicarboxylato-κ^2^<i>O</i>^5^:<i>O</i>^7^)[μ-di(pyridin-4-yl)sulfane-κ^2^<i>N</i>:<i>N</i>']zinc] 0.26-hydrate]","","- C18 H14.524 N2 O7.262 S2 Zn -","- C18 H14 N2 O7.262 S2 Zn -","- C36 H28 N4 O14.524 S4 Zn2 -","2","1","WM5363","Wu, Wen-Liang; Hu, Bing","Crystal structure of poly[[aqua-(μ-2,3-di-hydro-thieno[3,4-<i>b</i>][1,4]dioxine-5,7-di-carboxyl-ato-κ<sup>2</sup><i>O</i><sup>5</sup>:<i>O</i><sup>7</sup>)[μ-di(pyridin-4-yl)sulfane-κ<sup>2</sup><i>N</i>:<i>N</i>']zinc] 0.26-hydrate].","Acta crystallographica. Section E, Crystallographic communications","2017","73","Pt 3","375","377","10.1107/S2056989017002031","","","0.71073","MoKα","","0.0342","0.0298","","","0.0672","0.0694","","","","","","1.011","","","","has coordinates,has disorder","245819","2020-10-21","18:00:00",""
"2311356","14.7579","0.0005","6.793","0.0003","17.2873","0.0005","90","","91.287","0.003","90","","1732.62","0.11","293","2","293","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","<i>N</i>^6^-Benzoyladenine‒4-hydroxybenzoic acid (1/1)","","- C19 H15 N5 O4 -","- C19 H15 N5 O4 -","- C76 H60 N20 O16 -","4","1","HG5481","Swinton Darious, Robert; Thomas Muthiah, Packianathan; Perdih, Franc","Supra-molecular hydrogen-bonding patterns in a 1:1 co-crystal of the N(7)-H tautomeric form of <i>N</i><sup>6</sup>-benzoyl-adenine with 4-hy-droxy-benzoic acid.","Acta crystallographica. Section E, Crystallographic communications","2017","73","Pt 3","383","386","10.1107/S2056989017002171","","","1.54184","CuKα","","0.0695","0.0529","","","0.1428","0.1611","","","","","","1.021","","","","has coordinates","245820","2020-10-21","18:00:00",""
"2311357","11.5799","0.0007","7.391","0.0003","21.9848","0.0016","90","","103.033","0.007","90","","1833.1","0.2","100","2","100","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","Bis{4-methylbenzyl 2-[4-(propan-2-yl)benzylidene]hydrazinecarbodithioato-κ^2^<i>N</i>^2^,<i>S</i>}nickel(II):","","- C38 H42 N4 Ni S4 -","- C38 H42 N4 Ni S4 -","- C76 H84 N8 Ni2 S8 -","2","0.5","HB7658","Yusof, Enis Nadia Md; Ravoof, Thahira B. S. A.; Tahir, Mohamed I. M.; Jotani, Mukesh M.; Tiekink, Edward R. T.","Bis{4-methylbenzyl 2-[4-(propan-2-yl)benzyl-idene]hydrazine-carbodi-thio-ato-κ<sup>2</sup><i>N</i><sup>2</sup>,<i>S</i>}nickel(II): crystal structure and Hirshfeld surface analysis.","Acta crystallographica. Section E, Crystallographic communications","2017","73","Pt 3","397","402","10.1107/S2056989017002419","","","0.7107","MoKα","","0.049","0.0349","","","0.0779","0.0847","","","","","","1.016","","","","has coordinates","245821","2020-10-21","18:00:00",""
"2311358","7.827","0.0016","15.407","0.003","18.086","0.004","90","","100.86","0.03","90","","2141.9","0.8","298","2","298","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","Bis[(oxalato-κ^2^<i>O</i>^1^,<i>O</i>^2^)(1,4,8,11-tetraazacyclotetradecane-κ^4^<i>N</i>)chromium(III)] dichromate octahydrate","","- C24 H64 Cr4 N8 O23 -","- C24 H64 Cr4 N8 O23 -","- C48 H128 Cr8 N16 O46 -","2","0.5","SJ5521","Moon, Dohyun; Choi, Jong-Ha","Crystal structure of bis-[(oxalato-κ<sup>2</sup><i>O</i><sup>1</sup>,<i>O</i><sup>2</sup>)(1,4,8,11-tetra-aza-cyclo-tetra-decane-κ<sup>4</sup><i>N</i>)chromium(III)] dichromate octa-hydrate from synchrotron X-ray data.","Acta crystallographica. Section E, Crystallographic communications","2017","73","Pt 3","403","406","10.1107/S2056989017002614","","","0.61","synchrotron","","0.0561","0.0478","","","0.1394","0.1448","","","","","","1.041","","","","has coordinates,has disorder","245822","2020-10-21","18:00:00",""
"2311359","6.7693","0.0004","13.8357","0.0007","7.6661","0.0004","90","","104.709","0.002","90","","694.46","0.07","100","2","100","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","Dimethylbis[2,4-pentanedionato(1-)-κ^2^<i>O</i>^2^,<i>O</i>^4^]tin(IV)","","- C12 H20 O4 Sn -","- C12 H20 O4 Sn -","- C24 H40 O8 Sn2 -","2","0.5","","Reuter, Hans; Reichelt, Martin","Redetermination of the crystal structure of di-methyl-bis-[2,4-penta-nedionato(1-)-κ<sup>2</sup><i>O</i><sup>2</sup>,<i>O</i><sup>4</sup>]tin(IV).","Acta crystallographica. Section E, Crystallographic communications","2017","73","Pt 4","472","475","10.1107/S2056989017003206","","","0.71073","MoKα","","0.0162","0.0129","","","0.032","0.0336","","","","","","1.11","","","","has coordinates","245823","2020-10-21","18:00:00",""
"2311360","19.8257","0.0018","3.9754","0.0004","9.5881","0.0009","90","","101.645","0.005","90","","740.13","0.12","293","","293","","","","","","","","","4","C 1 2/m 1","-C 2y","12","","Thallium penta(indium/chromium) octaselenide","","- Cr0.189 In4.811 Se8 Tl -","- Cr0.189 In4.811 Se8 Tl1.0002 -","- Cr0.378 In9.622 Se16 Tl2.0004 -","2","0.25","WM5368","Lefèvre, Robin; Berthebaud, David; Gascoin, Franck","Substitution of indium for chromium in TlIn<sub>5-<i>x</i></sub> Cr <sub> <i>x</i> </sub> Se<sub>8</sub>: crystal structure of TlIn<sub>4.811(5)</sub>Cr<sub>0.189(5)</sub>Se<sub>8</sub>.","Acta crystallographica. Section E, Crystallographic communications","2017","73","Pt 4","500","502","10.1107/S2056989017003292","","","0.71073","MoKα","","0.0463","0.0302","","","0.0297","0.0308","","","","","","1.34","","","","has coordinates","245824","2020-10-21","18:00:00",""
"2311361","10.9569","0.0006","11.0012","0.0006","11.9738","0.0007","69.073","0.006","75.593","0.007","61.409","0.006","1178.37","0.14","213","2","213","2","","","","","","","","6","P -1","-P 1","2","","Bromido-<i>fac</i>-tricarbonyl[5-(3,4,5-trimethoxyphenyl)-3-(pyridin-2-yl)-1<i>H</i>-1,2,4-triazole-κ^2^<i>N</i>^2^,<i>N</i>^3^]rhenium(I) methanol monosolvate","","- C20 H20 Br N4 O7 Re -","- C20 H20 Br N4 O7 Re -","- C40 H40 Br2 N8 O14 Re2 -","2","1","WM5372","Kharlova, Marharyta I.; Piletska, Kseniia O.; Domasevitch, Kostiantyn V.; Shtemenko, Alexander V.","Crystal structure of bromido-<i>fac</i>-tricarbon-yl[5-(3,4,5-tri-meth-oxy-phen-yl)-3-(pyridin-2-yl)-1<i>H</i>-1,2,4-triazole-κ<sup>2</sup><i>N</i><sup>2</sup>,<i>N</i><sup>3</sup>]rhenium(I) methanol monosolvate.","Acta crystallographica. Section E, Crystallographic communications","2017","73","Pt 4","484","487","10.1107/S2056989017003371","","","0.71073","MoKα","","0.0271","0.0189","","","0.0333","0.0339","","","","","","0.836","","","","has coordinates","245825","2020-10-21","18:00:00",""
"2311362","7.4441","0.0015","14.625","0.003","14.074","0.003","90","","99.693","0.003","90","","1510.4","0.5","173","1","173","1","","","","","","","","4","P 1 21 1","P 2yb","4","","Bis(μ-2-methylbenzenethiolato-κ^2^<i>S</i>:<i>S</i>)bis[methyl(2-methylbenzenethiolato-κ<i>S</i>)indium(III)]","","- C30 H34 In2 S4 -","- C30 H34 In2 S4 -","- C60 H68 In4 S8 -","2","1","LH5837","Briand, Glen G.; Decken, Andreas; Dickie, Courtney M.; MacNeil, Gregory","Synthesis and crystal structure of bis-(μ-2-methyl-benzene-thiol-ato-κ<sup>2</sup><i>S</i>:<i>S</i>)bis-[meth-yl(2-methyl-benzene-thiol-ato-κ<i>S</i>)indium(III)].","Acta crystallographica. Section E, Crystallographic communications","2017","73","Pt 4","481","483","10.1107/S2056989017003498","","","0.71073","MoKα","","0.0504","0.0344","","","0.0673","0.0739","","","","","","1.041","","","","has coordinates","245826","2020-10-21","18:00:00",""
"2311363","9.5842","0.0015","11.0788","0.0016","12.989","0.002","90","","100.014","0.004","90","","1358.2","0.4","98","2","98","2","","","","","","","","5","P 1 21 1","P 2yb","4","","Poly[[bis[μ~2~-<i>N</i>-ethyl-<i>N</i>-(pyridin-4-ylmethyl)dithiocarbamato-\ κ^3^<i>N</i>:<i>S</i>,<i>S</i>']cadmium(II)] 3-methylpyridine monosolvate]","","- C24 H29 Cd N5 S4 -","- C24 H29 Cd N5 S4 -","- C48 H58 Cd2 N10 S8 -","2","1","HB7664","Arman, Hadi D.; Poplaukhin, Pavel; Tiekink, Edward R. T.","A two-dimensional coordination polymer: poly[[bis-[μ<sub>2</sub>-<i>N</i>-ethyl-<i>N</i>-(pyridin-4-ylmeth-yl)di-thio-carbamato-κ<sup>3</sup><i>N</i>:<i>S</i>,<i>S</i>']cadmium(II)] 3-methyl-pyridine monosolvate].","Acta crystallographica. Section E, Crystallographic communications","2017","73","Pt 4","488","492","10.1107/S2056989017003516","","","0.71069","MoKα","","0.0374","0.0371","","","0.0905","0.0907","","","","","","1.075","","","","has coordinates","245827","2020-10-21","18:00:00",""
"2311364","9.18","0.0002","12.146","0.0002","14.9005","0.0003","88.49","0.002","89.166","0.002","83.278","0.002","1649.31","0.06","110","2","110","2","","","","","","","","8","P -1","-P 1","2","","Bis(1,10-phenanthroline-κ^2^<i>N</i>,<i>N</i>')(1,3-thiazole-2-thiolato-κ^2^<i>S</i>^2^,<i>N</i>)nickel(II) hexafluoridophosphate 1,4-dioxane sesquisolvate","","- C33 H30 F6 N5 Ni O3 P S2 -","- C33 H30 F6 N5 Ni O3 P S2 -","- C66 H60 F12 N10 Ni2 O6 P2 S4 -","2","1","WM5374","Kai, Keisuke; Hamaguchi, Tomohiko; Ando, Isao","Crystal structure of bis-(1,10-phenanthroline-κ<sup>2</sup><i>N</i>,<i>N</i>')(1,3-thia-zole-2-thiol-ato-κ<sup>2</sup><i>S</i><sup>2</sup>,<i>N</i>)nickel(II) hexa-fluorido-phosphate 1,4-dioxane sesquisolvate.","Acta crystallographica. Section E, Crystallographic communications","2017","73","Pt 4","590","593","10.1107/S205698901700456X","","","0.71073","MoKα","","0.0519","0.0412","","","0.0889","0.0941","","","","","","1.023","","","","has coordinates","245828","2020-10-21","18:00:00",""
"2311365","5.2156","0.0005","14.0812","0.0014","9.0595","0.0009","90","","99.366","0.002","90","","656.48","0.11","120","2","120","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","Tetraaquabis(pyrimidin-1-ium-4,6-diolato-κ<i>O</i>^4^)manganese(II)","","- C8 H14 Mn N4 O8 -","- C8 H14 Mn N4 O8 -","- C16 H28 Mn2 N8 O16 -","2","0.5","WM5373","Shennara, Khaled A.; Butcher, Ray J.; Greenaway, Frederick T.","Crystal structure of tetra-aqua-bis-(pyrimidin-1-ium-4,6-diolato-κ<i>O</i><sup>4</sup>)manganese(II).","Acta crystallographica. Section E, Crystallographic communications","2017","73","Pt 4","620","622","10.1107/S2056989017004649","","","0.71073","MoKα","","0.028","0.0266","","","0.0701","0.0712","","","","","","1.103","","","","has coordinates","245829","2020-10-21","18:00:00",""
"2311366","12.1618","0.0005","19.8355","0.0008","10.0403","0.0006","90","","91.417","0.006","90","","2421.3","0.2","153","2","153","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","[μ-1(η^5^)-(Adamantan-1-yl-2κ<i>C</i>^1^)cycylopentadienyl]di-μ~2~-methyl-methyl-2κ<i>C</i>-[1(η^5^)-pentamethylcyclopentadienyl]-aluminiumtitanium(III)","","- C28 H42 Al Ti -","- C28 H42 Al Ti -","- C112 H168 Al4 Ti4 -","4","1","WM5378","Oswald, Tim; Diekmann, Mira; Frey, Annika; Schmidtmann, Marc; Beckhaus, Rüdiger","Crystal structures of titanium-aluminium and -gallium complexes bearing two <i>μ<sub>2</sub></i> -CH<sub>3</sub> units.","Acta crystallographica. Section E, Crystallographic communications","2017","73","Pt 5","691","693","10.1107/S2056989017004856","","","0.71073","MoKα","","0.055","0.0311","","","0.063","0.0677","","","","","","0.867","","","","has coordinates","245830","2020-10-21","18:00:00",""
"2311367","12.1445","0.0008","19.9196","0.0007","10.035","0.0004","90","","91.4","0.007","90","","2426.9","0.2","153","2","153","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","[μ-1(η^5^)-(Adamantan-1-yl-2κ<i>C</i>^1^)cycylopentadienyl]di-μ~2~-methyl-methyl-2κ<i>C</i>-[1(η^5^)-pentamethylcyclopentadienyl]-galliumtitanium(III)","","- C28 H42 Ga Ti -","- C28 H42 Ga Ti -","- C112 H168 Ga4 Ti4 -","4","1","WM5378","Oswald, Tim; Diekmann, Mira; Frey, Annika; Schmidtmann, Marc; Beckhaus, Rüdiger","Crystal structures of titanium-aluminium and -gallium complexes bearing two <i>μ<sub>2</sub></i> -CH<sub>3</sub> units.","Acta crystallographica. Section E, Crystallographic communications","2017","73","Pt 5","691","693","10.1107/S2056989017004856","","","0.71073","MoKα","","0.034","0.0262","","","0.0636","0.0653","","","","","","0.937","","","","has coordinates","245830","2020-10-21","18:00:00",""
"2311368","7.5482","0.0004","15.7571","0.0008","14.6407","0.0006","90","","95.132","0.004","90","","1734.35","0.15","130","0.1","130","0.1","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","Dibromido{<i>N</i>-[(pyridin-2-yl-κ<i>N</i>)methylidene]picolinohydrazide-κ^2^<i>N</i>',<i>O</i>}cadmium methanol monosolvate","","- C13 H14 Br2 Cd N4 O2 -","- C13 H14 Br2 Cd N4 O2 -","- C52 H56 Br8 Cd4 N16 O8 -","4","1","SU5361","Khandar, Ali Akbar; Afkhami, Farhad Akbari; Krautscheid, Harald; Kristoffersen, Kenneth Aase; Atioğlu, Zeliha; Akkurt, Mehmet; Görbitz, Carl Henrik","Crystal structures of di-bromido-{<i>N</i>-[(pyridin-2-yl-κ<i>N</i>)methyl-idene]picolinohydrazide-κ<sup>2</sup><i>N</i>',<i>O</i>}cadmium methanol monosolvate and di-iodido{<i>N</i>-[(pyridin-2-yl-κ<i>N</i>)methyl-idene]picolinohydrazide-κ<sup>2</sup><i>N</i>',<i>O</i>}cadmium.","Acta crystallographica. Section E, Crystallographic communications","2017","73","Pt 5","698","701","10.1107/S2056989017005308","","","1.5418","CuKα","","0.0486","0.0335","","","0.071","0.0779","","","","","","1.023","","","","has coordinates","245831","2020-10-21","18:00:00",""
"2311369","7.5264","0.0007","13.1325","0.0012","16.5718","0.0015","90","","94.384","0.001","90","","1633.2","0.3","296","2","296","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","Diiodido{<i>N</i>-[(pyridin-2-yl-κ<i>N</i>)methylidene]picolinohydrazide-κ^2^<i>N</i>',<i>O</i>}cadmium","","- C12 H10 Cd I2 N4 O -","- C12 H10 Cd I2 N4 O -","- C48 H40 Cd4 I8 N16 O4 -","4","1","SU5361","Khandar, Ali Akbar; Afkhami, Farhad Akbari; Krautscheid, Harald; Kristoffersen, Kenneth Aase; Atioğlu, Zeliha; Akkurt, Mehmet; Görbitz, Carl Henrik","Crystal structures of di-bromido-{<i>N</i>-[(pyridin-2-yl-κ<i>N</i>)methyl-idene]picolinohydrazide-κ<sup>2</sup><i>N</i>',<i>O</i>}cadmium methanol monosolvate and di-iodido{<i>N</i>-[(pyridin-2-yl-κ<i>N</i>)methyl-idene]picolinohydrazide-κ<sup>2</sup><i>N</i>',<i>O</i>}cadmium.","Acta crystallographica. Section E, Crystallographic communications","2017","73","Pt 5","698","701","10.1107/S2056989017005308","","","0.71073","MoKα","","0.0321","0.0229","","","0.0541","0.0578","","","","","","1.06","","","","has coordinates,has disorder","245831","2020-10-21","18:00:00",""
"2311370","10.6489","0.0002","31.7578","0.0004","10.7212","0.0002","90","","108.607","0.002","90","","3436.24","0.11","100","2","100","2","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","μ~3~-Chlorido-μ~2~-chlorido-(μ~3~-pyrrolidine-1-carbodithioato-κ^4^<i>S</i>:<i>S</i>,<i>S</i>':<i>S</i>')tris[(triethylphosphane-κ<i>P</i>)copper(I)]","","- C23 H53 Cl2 Cu3 N P3 S2 -","- C23 H53 Cl2 Cu3 N P3 S2 -","- C92 H212 Cl8 Cu12 N4 P12 S8 -","4","1","HB7670","Tan, Yi Jiun; Yeo, Chien Ing; Halcovitch, Nathan R.; Jotani, Mukesh M.; Tiekink, Edward R. T.","μ<sub>3</sub>-Chlorido-μ<sub>2</sub>-chlorido-(μ<sub>3</sub>-pyrrolidine-1-carbo-dithio-ato-κ<sup>4</sup><i>S</i>:<i>S</i>,<i>S</i>':<i>S</i>')tris-[(tri-ethyl-phosphane-κ<i>P</i>)copper(I)]: crystal structure and Hirshfeld surface analysis.","Acta crystallographica. Section E, Crystallographic communications","2017","73","Pt 5","720","725","10.1107/S2056989017005382","","","1.54184","CuKα","","0.0307","0.0283","","","0.0716","0.073","","","","","","1.041","","","","has coordinates","245832","2020-10-21","18:00:00",""
"2311371","29.5261","0.0005","10.1413","0.0002","8.0906","0.0002","90","","91.894","0.004","90","","2421.27","0.09","296","2","296","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","<i>catena</i>-Poly[[[diaquabis(2,4,6-trimethylbenzoato-κ<i>O</i>)cobalt(II)]-μ-aqua-κ^2^<i>O</i>:<i>O</i>'] dihydrate]","","- C20 H32 Co O9 -","- C20 H32 Co O9 -","- C80 H128 Co4 O36 -","4","0.5","PJ2043","Hökelek, Tuncer; Akduran, Nurcan; Özkaya, Safiye; Necefoğlu, Hacali","Crystal structure of <i>catena</i>-poly[[[di-aqua-bis-(2,4,6-tri-methyl-benzoato-κ<i>O</i>)cobalt(II)]-μ-aqua-κ<sup>2</sup><i>O</i>:<i>O</i>] dihydrate].","Acta crystallographica. Section E, Crystallographic communications","2017","73","Pt 5","708","712","10.1107/S2056989017005564","","","0.71073","MoKα","","0.0728","0.0604","","","0.1513","0.1662","","","","","","1.088","","","","has coordinates","245833","2020-10-21","18:00:00",""
"2311372","7.842","0.002","9.937","0.002","8.686","0.002","90","","108.45","0.03","90","","642.1","0.3","293","2","293","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","silver aluminium hydrogen arsenate","Silver(I) aluminium bis[hydrogen arsenate(V)]","","- Ag Al As2 H2 O8 -","- Ag Al As2 H2 O8 -","- Ag4 Al4 As8 H8 O32 -","4","0.5","PK2600","Schwendtner, Karolina; Kolitsch, Uwe","New <i>M</i><sup>+</sup>, <i>M</i><sup>3+</sup>-arsenates - the framework structures of Ag<i>M</i><sup>3+</sup>(HAsO<sub>4</sub>)<sub>2</sub> (<i>M</i><sup>3+</sup> = Al, Ga) and <i>M</i><sup>+</sup>GaAs<sub>2</sub>O<sub>7</sub> (<i>M</i><sup>+</sup> = Na, Ag).","Acta crystallographica. Section E, Crystallographic communications","2017","73","Pt 5","785","790","10.1107/S2056989017005631","","","0.71073","MoKα","","0.0149","0.0139","","","0.037","0.0374","","","","","","1.095","","","","has coordinates","245834","2020-10-21","18:00:00",""
"2311373","7.826","0.002","10.216","0.002","8.694","0.002","90","","107.77","0.03","90","","661.9","0.3","293","2","293","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","silver gallium hydrogen arsenate","Silver(I) gallium bis[hydrogen arsenate(V)]","","- Ag As2 Ga H2 O8 -","- Ag0.996 As2 Ga H2 O8 -","- Ag3.984 As8 Ga4 H8 O32 -","4","0.5","","Schwendtner, Karolina; Kolitsch, Uwe","New <i>M</i><sup>+</sup>, <i>M</i><sup>3+</sup>-arsenates - the framework structures of Ag<i>M</i><sup>3+</sup>(HAsO<sub>4</sub>)<sub>2</sub> (<i>M</i><sup>3+</sup> = Al, Ga) and <i>M</i><sup>+</sup>GaAs<sub>2</sub>O<sub>7</sub> (<i>M</i><sup>+</sup> = Na, Ag).","Acta crystallographica. Section E, Crystallographic communications","2017","73","Pt 5","785","790","10.1107/S2056989017005631","","","0.71073","MoKα","","0.016","0.0147","","","0.0362","0.0366","","","","","","1.146","","","","has coordinates","245834","2020-10-21","18:00:00",""
"2311374","7.049","0.001","8.368","0.002","9.735","0.002","90","","108.47","0.03","90","","544.7","0.2","293","2","293","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","silver gallium diarsenate","Silver(I) gallium diarsenate(V)","","- Ag As2 Ga O7 -","- Ag As2 Ga O7 -","- Ag4 As8 Ga4 O28 -","4","1","","Schwendtner, Karolina; Kolitsch, Uwe","New <i>M</i><sup>+</sup>, <i>M</i><sup>3+</sup>-arsenates - the framework structures of Ag<i>M</i><sup>3+</sup>(HAsO<sub>4</sub>)<sub>2</sub> (<i>M</i><sup>3+</sup> = Al, Ga) and <i>M</i><sup>+</sup>GaAs<sub>2</sub>O<sub>7</sub> (<i>M</i><sup>+</sup> = Na, Ag).","Acta crystallographica. Section E, Crystallographic communications","2017","73","Pt 5","785","790","10.1107/S2056989017005631","","","0.71073","MoKα","","0.0378","0.0326","","","0.0858","0.0891","","","","","","1.048","","","","has coordinates,has disorder","245834","2020-10-21","18:00:00",""
"2311375","6.987","0.001","8.266","0.002","9.677","0.002","90","","107.5","0.03","90","","533","0.2","293","2","293","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","sodium gallium diarsenate","Sodium gallium diarsenate(V)","","- As2 Ga Na O7 -","- As2 Ga Na O7 -","- As8 Ga4 Na4 O28 -","4","1","","Schwendtner, Karolina; Kolitsch, Uwe","New <i>M</i><sup>+</sup>, <i>M</i><sup>3+</sup>-arsenates - the framework structures of Ag<i>M</i><sup>3+</sup>(HAsO<sub>4</sub>)<sub>2</sub> (<i>M</i><sup>3+</sup> = Al, Ga) and <i>M</i><sup>+</sup>GaAs<sub>2</sub>O<sub>7</sub> (<i>M</i><sup>+</sup> = Na, Ag).","Acta crystallographica. Section E, Crystallographic communications","2017","73","Pt 5","785","790","10.1107/S2056989017005631","","","0.71073","MoKα","","0.0406","0.0325","","","0.0854","0.09","","","","","","1.037","","","","has coordinates","245834","2020-10-21","18:00:00",""
"2311376","9.8767","0.0005","11.4597","0.0005","14.3166","0.0007","90","","104.458","0.0007","90","","1569.1","0.13","100","2","100","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","Aqua-<i>trans</i>-bis(dimethyl sulfoxide-κ<i>O</i>)(pyridine-2,6-dicarboxylato-κ^3^<i>O</i>^2^,<i>N</i>,<i>O</i>^6^)nickel(II)","","- C11 H17 N Ni O7 S2 -","- C11 H17 N Ni O7 S2 -","- C44 H68 N4 Ni4 O28 S8 -","4","0.5","WM5380","Liu, Chen; Felts, Ashley C.; Takahashi, Daisuke; Kinden, Wesley S.; Abboud, Khalil A.","Crystal structure of aqua-<i>trans</i>-bis-(dimethyl sulfoxide-κ<i>O</i>)(pyridine-2,6-di-carboxyl-ato-κ<sup>3</sup><i>O</i><sup>2</sup>,<i>N</i>,<i>O</i><sup>6</sup>)nickel(II).","Acta crystallographica. Section E, Crystallographic communications","2017","73","Pt 5","777","779","10.1107/S2056989017006090","","","0.71073","MoKα","","0.0162","0.0159","","","0.0429","0.0432","","","","","","1.055","","","","has coordinates","245835","2020-10-21","18:00:00",""
"2311377","10.1472","0.0001","13.6653","0.0001","13.8122","0.0001","90","","104.959","0.001","90","","1850.36","0.03","100","2","100","","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","Dimethylbis(morpholine-4-carbodithioato-κ^2^<i>S</i>,<i>S</i>')tin(IV)","","- C12 H22 N2 O2 S4 Sn -","- C12 H22 N2 O2 S4 Sn -","- C48 H88 N8 O8 S16 Sn4 -","4","1","HB7675","Zaldi, Nordiyana Binti; Hussen, Rusnah Syahila Duali; Lee, See Mun; Halcovitch, Nathan R.; Jotani, Mukesh M.; Tiekink, Edward R. T.","Secondary bonding in di-methyl-bis-(morpholine-4-carbodi-thio-ato-κ<sup>2</sup><i>S</i>,<i>S</i>')tin(IV): crystal structure and Hirshfeld surface analysis.","Acta crystallographica. Section E, Crystallographic communications","2017","73","Pt 6","842","848","10.1107/S2056989017006855","","","1.54184","CuKα","","0.0245","0.024","","","0.0642","0.0645","","","","","","1.072","","","","has coordinates","245836","2020-10-21","18:00:00",""
"2311378","12.5864","0.0003","11.6273","0.0003","19.1271","0.0005","90","","90.529","0.001","90","","2799.05","0.12","123","2","123","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","<i>cis</i>-Bis[4-methyl-2-(1,2,3,4-tetrahydronaphthalen-1-ylidene)hydrazinecarbothioamidato-κ^2^<i>N</i>^1^,<i>S</i>]nickel(II) dimethylformamide monosolvate","","- C27 H35 N7 Ni O S2 -","- C27 H35 N7 Ni O S2 -","- C108 H140 N28 Ni4 O4 S8 -","4","1","WM5389","de Oliveira, Adriano Bof; Beck, Johannes; Mellone, Sônia Elizabeth Brown S; Daniels, Jörg","A new example of intra-molecular C-H⋯Ni anagostic inter-actions: synthesis, crystal structure and Hirshfeld analysis of <i>cis</i>-bis-[4-methyl-2-(1,2,3,4-tetra-hydro-naphthalen-1-yl-idene)hydrazinecarbo-thio-amidato-κ<sup>2</sup><i>N</i><sup>1</sup>,<i>S</i>]nickel(II) di-methyl-formamide monosolvate.","Acta crystallographica. Section E, Crystallographic communications","2017","73","Pt 6","859","863","10.1107/S2056989017007198","","","0.71073","MoKα","","0.0551","0.0335","","","0.0737","0.0809","","","","","","1.028","","","","has coordinates","245837","2020-10-21","18:00:00",""
"2311379","10.0709","0.0017","20.322","0.006","13.886","0.004","90","","102.776","0.018","90","","2771.6","1.3","293","2","293","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","5-Chloro-<i>N</i>^1^-(5-phenyl-1<i>H</i>-pyrazol-3-yl)benzene-1,2-diamine","","- C15 H13 Cl N4 -","- C15 H13 Cl N4 -","- C120 H104 Cl8 N32 -","8","2","","Yartsev, Yegor; Palchikov, Vitaliy; Gaponov, Alexandr; Shishkina, Svitlana","Crystal structure of 5-chloro-<i>N</i><sup>1</sup>-(5-phenyl-1<i>H</i>-pyrazol-3-yl)benzene-1,2-di-amine.","Acta crystallographica. Section E, Crystallographic communications","2017","73","Pt 6","876","879","10.1107/S2056989017007381","","","0.71073","MoKα","","0.0635","0.0369","","","0.0947","0.1023","","","","","","0.937","","","","has coordinates","245838","2020-10-21","18:00:00",""
"2311380","7.1078","0.0011","24.544","0.004","6.0449","0.0009","90","","101.898","0.002","90","","1031.9","0.3","294","2","294","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","(2<i>E</i>,2'<i>E</i>)-3,3'-(1,4-Phenylene)bis[1-(2-methoxyphenyl)prop-2-en-1-one]","","- C26 H22 O4 -","- C26 H22 O4 -","- C52 H44 O8 -","2","0.5","HB7678","Sim, Aijia; Chidan Kumar, C. S.; Kwong, Huey Chong; Then, Li Yee; Win, Yip-Foo; Quah, Ching Kheng; Naveen, S.; Chandraju, S.; Lokanath, N. K.; Warad, Ismail","Three closely related (2<i>E</i>,2'<i>E</i>)-3,3'-(1,4-phenyl-ene)bis-[1-(meth-oxy-phen-yl)prop-2-en-1-ones]: supra-molecular assemblies in one dimension mediated by hydrogen bonding and C-H⋯π inter-actions.","Acta crystallographica. Section E, Crystallographic communications","2017","73","Pt 6","896","900","10.1107/S2056989017007460","","","0.71073","MoKα","","0.0549","0.0402","","","0.1087","0.1192","","","","","","1.033","","","","has coordinates","245839","2020-10-21","18:00:00",""
"2311381","5.2626","0.0005","15.6157","0.0014","12.4824","0.0011","90","","98.76","0.002","90","","1013.83","0.16","294","2","294","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","(2<i>E</i>,2'<i>E</i>)-3,3'-(1,4-Phenylene)bis[1-(3-methoxyphenyl)prop-2-en-1-one]","","- C26 H22 O4 -","- C26 H22 O4 -","- C52 H44 O8 -","2","0.5","HB7678","Sim, Aijia; Chidan Kumar, C. S.; Kwong, Huey Chong; Then, Li Yee; Win, Yip-Foo; Quah, Ching Kheng; Naveen, S.; Chandraju, S.; Lokanath, N. K.; Warad, Ismail","Three closely related (2<i>E</i>,2'<i>E</i>)-3,3'-(1,4-phenyl-ene)bis-[1-(meth-oxy-phen-yl)prop-2-en-1-ones]: supra-molecular assemblies in one dimension mediated by hydrogen bonding and C-H⋯π inter-actions.","Acta crystallographica. Section E, Crystallographic communications","2017","73","Pt 6","896","900","10.1107/S2056989017007460","","","0.71073","MoKα","","0.0743","0.0436","","","0.1119","0.132","","","","","","1.034","","","","has coordinates","245839","2020-10-21","18:00:00",""
"2311382","6.9595","0.0006","21.0272","0.0017","8.3297","0.0007","90","","103.602","0.002","90","","1184.77","0.17","294","2","294","2","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","(2<i>E</i>,2'<i>E</i>)-3,3'-(1,4-Phenylene)bis[1-(3,4-dimethoxyphenyl)prop-2-en-1-one]","","- C28 H26 O6 -","- C28 H26 O6 -","- C56 H52 O12 -","2","0.5","HB7678","Sim, Aijia; Chidan Kumar, C. S.; Kwong, Huey Chong; Then, Li Yee; Win, Yip-Foo; Quah, Ching Kheng; Naveen, S.; Chandraju, S.; Lokanath, N. K.; Warad, Ismail","Three closely related (2<i>E</i>,2'<i>E</i>)-3,3'-(1,4-phenyl-ene)bis-[1-(meth-oxy-phen-yl)prop-2-en-1-ones]: supra-molecular assemblies in one dimension mediated by hydrogen bonding and C-H⋯π inter-actions.","Acta crystallographica. Section E, Crystallographic communications","2017","73","Pt 6","896","900","10.1107/S2056989017007460","","","0.71073","MoKα","","0.0699","0.0487","","","0.1215","0.1358","","","","","","1.043","","","","has coordinates","245839","2020-10-21","18:00:00",""
"2311383","11.4866","0.0003","9.4448","0.0002","16.8257","0.0005","90","","109.227","0.003","90","","1723.58","0.08","100","2","100","2","","","","","","","","4","P 1 21 1","P 2yb","4","","(3<i>S</i>,4a<i>S</i>,8a<i>S</i>)-2-[(2<i>R</i>,3<i>S</i>)-3-Benzamido-2-benzoyloxy-4-phenylbutyl]-<i>N</i>-<i>tert</i>-butyldecahydroisoquinoline-3-carboxamide","","- C38 H47 N3 O4 -","- C38 H47 N3 O4 -","- C76 H94 N6 O8 -","2","1","PK2602","Cunico, Wilson; Ferreira, Maria de Lourdes G; Wardell, James L.; Harrison, William T. A.","Different intra- and inter-molecular hydrogen-bonding patterns in (3<i>S</i>,4a<i>S</i>,8a<i>S</i>)-2-[(2<i>R</i>,3<i>S</i>)-3-(2,5-<i>X</i><sub>2</sub>-benzamido)-2-(2,5-<i>X</i><sub>2</sub>-benzo-yloxy)-4-phenyl-butyl]-<i>N</i>-<i>tert</i>-butyldeca-hydro-iso-quinoline-3-carboxamides (<i>X</i> = H or Cl): compounds with moderate aspartyl protease inhibition activity.","Acta crystallographica. Section E, Crystallographic communications","2017","73","Pt 6","913","917","10.1107/S2056989017007800","","","1.54184","CuKα","","0.0671","0.0558","","","0.1414","0.1506","","","","","","1.068","","","","has coordinates","245840","2020-10-21","18:00:00",""
"2311384","10.4539","0.0001","15.1917","0.0001","24.3677","0.0002","90","","90","","90","","3869.9","0.06","100","2","100","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","(3<i>S</i>,4a<i>S</i>,8a<i>S</i>)-2-[(2<i>R</i>,3<i>S</i>)-3-(2,5-Dichlorobenzamido)-2-(2,5-dichlorobenzoyloxy)-4-phenylbutyl]-<i>N</i>-<i>tert</i>-butyldecahydroisoquinoline-3-carboxamide","","- C38 H43 Cl4 N3 O4 -","- C38 H43 Cl4 N3 O4 -","- C152 H172 Cl16 N12 O16 -","4","1","PK2602","Cunico, Wilson; Ferreira, Maria de Lourdes G; Wardell, James L.; Harrison, William T. A.","Different intra- and inter-molecular hydrogen-bonding patterns in (3<i>S</i>,4a<i>S</i>,8a<i>S</i>)-2-[(2<i>R</i>,3<i>S</i>)-3-(2,5-<i>X</i><sub>2</sub>-benzamido)-2-(2,5-<i>X</i><sub>2</sub>-benzo-yloxy)-4-phenyl-butyl]-<i>N</i>-<i>tert</i>-butyldeca-hydro-iso-quinoline-3-carboxamides (<i>X</i> = H or Cl): compounds with moderate aspartyl protease inhibition activity.","Acta crystallographica. Section E, Crystallographic communications","2017","73","Pt 6","913","917","10.1107/S2056989017007800","","","1.54184","CuKα","","0.038","0.0375","","","0.0994","0.0998","","","","","","1.051","","","","has coordinates","245840","2020-10-21","18:00:00",""
"2311385","15.6367","0.0015","17.897","0.0017","22.532","0.002","90","","104.502","0.002","90","","6104.7","1","147","2","147","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","Hexakis[μ~3~-1,2-bis(trifluoromethyl)ethene-1,2-dithiolato]-<i>octahedro</i>-hexapalladium(II) benzene 2.5-solvate","","- C39 H15 F36 Pd6 S12 -","- C39 H15 F36 Pd6 S12 -","- C156 H60 F144 Pd24 S48 -","4","1","ZL2703","Moscattini, Joshua; Lough, Alan J.; Fekl, Ulrich","<i>C</i><sub>2</sub>-isomer of [Pd(tfd)]<sub>6</sub> [tfd is S<sub>2</sub>C<sub>2</sub>(CF<sub>3</sub>)<sub>2</sub>] as its benzene solvate: a new member of the small but growing class of homoleptic palladium(II) monodi-thio-lenes in the form of hexa-meric cubes.","Acta crystallographica. Section E, Crystallographic communications","2017","73","Pt 7","957","962","10.1107/S2056989017007897","","","0.71073","MoKα","","0.062","0.0399","","","0.0777","0.0908","","","","","","1.107","","","","has coordinates,has disorder","245841","2020-10-21","18:00:00",""
"2311386","11.837","0.004","23.126","0.007","17.836","0.005","90","","94.165","0.01","90","","4870","3","120","2","120.03","","","","","","","","","8","P 1 21 1","P 2yb","4","","{(<i>R</i>)-<i>N</i>^2^-[(Benzo[<i>h</i>]quinolin-2-yl)methyl]-<i>N</i>^2'^-[(benzo[<i>h</i>]quinolin-2-yl)methylidene]-1,1'-binaphthyl-2,2'-diamine-κ^4^<i>N</i>,<i>N</i>',<i>N</i>'',<i>N</i>'''}(trifluoromethanesulfonato-κ<i>O</i>)zinc(II)} trifluoromethanesulfonate dichloromethane 1.5-solvate","","- C51.5 H35 Cl3 F6 N4 O6 S2 Zn -","- C51.5 H35 Cl3 F6 N4 O6 S2 Zn -","- C206 H140 Cl12 F24 N16 O24 S8 Zn4 -","4","2","IM2476","Skokan, Shayna R.; Reeson, Monica M.; Oshin, Kayode D.; Vinokur, Anastasiya I.; Desper, John A.; Levy, Christopher J.","Crystal structure of {(<i>R</i>)-<i>N</i><sup>2</sup>-[(benzo[<i>h</i>]quinolin-2-yl)meth-yl]-<i>N</i><sup>2'</sup>-[(benzo[<i>h</i>]quinolin-2-yl)methyl-idene]-1,1'-binaphthyl-2,2'-di-amine-κ<sup>4</sup><i>N</i>,<i>N</i>',<i>N</i>'',<i>N</i>'''}(trifluoromethane-sulfonato-κ<i>O</i>)zinc(II)} trifluoromethane-sulfonate di-chloro-methane 1.5-solvate.","Acta crystallographica. Section E, Crystallographic communications","2017","73","Pt 7","949","953","10.1107/S2056989017008027","","","0.71073","MoKα","","0.0488","0.0387","","","0.0862","0.0917","","","","","","1.026","","","","has coordinates,has disorder","245842","2020-10-21","18:00:00",""
"2311387","38.3604","0.0009","13.6382","0.0003","26.3548","0.0006","90","","91.069","0.002","90","","13785.6","0.5","100","2","100","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","Bis(<i>N</i>'-{(<i>E</i>)-[(2<i>E</i>)-1,3-diphenylprop-2-en-1-ylidene]amino}-<i>N</i>-ethylcarbamimidothioato-κ^2^<i>N</i>',<i>S</i>)zinc(II)","","- C36 H36 N6 S2 Zn -","- C36 H36 N6 S2 Zn -","- C576 H576 N96 S32 Zn16 -","16","2","HB7684","Tan, Ming Yueh; Crouse, Karen A.; Ravoof, Thahira B. S. A.; Jotani, Mukesh M.; Tiekink, Edward R. T.","Bis(<i>N</i>'-{(<i>E</i>)-[(2<i>E</i>)-1,3-di-phenyl-prop-2-en-1-yl-idene]amino}-<i>N</i>-ethyl-carbamimido-thio-ato-κ<sup>2</sup><i>N</i>',<i>S</i>)zinc(II): crystal structure and Hirshfeld surface analysis.","Acta crystallographica. Section E, Crystallographic communications","2017","73","Pt 7","1001","1008","10.1107/S2056989017008064","","","0.71073","MoKα","","0.0515","0.0369","","","0.0758","0.0838","","","","","","1.039","","","","has coordinates","245843","2020-10-21","18:00:00",""
"2311388","9.224","0.004","12.083","0.006","13.673","0.007","69.206","0.014","80.361","0.017","69.054","0.014","1329.1","1.1","100","","100","","","","","","","","","7","P -1","-P 1","2","","<i>catena</i>-Poly[[[aquabis(dimethylformamide-κ<i>O</i>)magnesium(II)]-μ~3~-(2,2'-bipyridine-5,5'-dicarboxylato-κ^5^<i>O</i>^2^:<i>O</i>^2'^:<i>N</i>,<i>N</i>':<i>O</i>^5^)-[dichloridoplatinum(II)]] dimethylformamide monosolvate]","","- C21 H29 Cl2 Mg N5 O8 Pt -","- C21 H29 Cl2 Mg N5 O8 Pt -","- C42 H58 Cl4 Mg2 N10 O16 Pt2 -","2","1","VN2129","Lundvall, Fredrik; Tilset, Mats","Crystal structure of <i>catena</i>-poly[[[aqua-bis-(di-methyl-formamide-κ<i>O</i>)magnesium(II)]-μ<sub>3</sub>-(2,2'-bi-pyridine-5,5'-di-carboxyl-ato-κ<sup>5</sup><i>O</i><sup>2</sup>:<i>O</i><sup>2'</sup>:<i>N</i>,<i>N</i>':<i>O</i><sup>5</sup>)-[di-chlorido-platinum(II)]] di-methyl-formamide monosolvate].","Acta crystallographica. Section E, Crystallographic communications","2017","73","Pt 7","971","974","10.1107/S2056989017008118","","","0.71073","MoKα","","0.0295","0.0276","","","0.072","0.0738","","","","","","1.086","","","","has coordinates,has disorder","245844","2020-10-21","18:00:00",""
"2311389","13.6185","0.0004","22.6439","0.0018","18.5341","0.0006","90","","90.811","0.003","90","","5714.9","0.5","293","2","293","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","Bis[tetrakis(tetrahydrofuran-κ<i>O</i>)lithium] bis[μ-2,2',2''-methanetriyltris(4,6-di-<i>tert</i>-butylphenolato)-κ^4^<i>O</i>,<i>O</i>':<i>O</i>',<i>O</i>'']dimagnesiate","","- C118 H186 Li2 Mg2 O14 -","- C118 H186 Li2 Mg2 O14 -","- C236 H372 Li4 Mg4 O28 -","2","0.5","ZS2380","Zhou, Hongyan; Wang, Lei","Crystal structure of bis-[tetra-kis-(tetra-hydro-furan-κ<i>O</i>)lithium] bis[μ-2,2',2''-methanetriyltris(4,6-di-<i>tert</i>-butylphenolato)-κ<sup>4</sup><i>O</i>,<i>O</i>':<i>O</i>',<i>O</i>'']-dimagnesiate.","Acta crystallographica. Section E, Crystallographic communications","2017","73","Pt 7","1026","1028","10.1107/S2056989017008337","","","0.71073","MoKα","","0.094","0.059","","","0.1312","0.1486","","","","","","1.046","","","","has coordinates","245845","2020-10-21","18:00:00",""
"2311390","7.087","0.002","10.446","0.003","6.692","0.0016","90","","116.61","0.02","90","","442.9","0.2","296","2","296","2","","","","","","","","5","P 1 2/c 1","-P 2yc","13","","Dichlorido(1,2-phenylenediamine-κ^2^<i>N</i>,<i>N</i>')platinum(II)","","- C6 H8 Cl2 N2 Pt -","- C6 H8 Cl2 N2 Pt -","- C12 H16 Cl4 N4 Pt2 -","2","0.5","WM5396","Konno, Yosuke; Matsushita, Nobuyuki","Crystal structure of di-chlorido-(1,2-phenyl-enedi-amine-κ<sup>2</sup><i>N</i>,<i>N</i>')platinum(II).","Acta crystallographica. Section E, Crystallographic communications","2017","73","Pt 7","1009","1012","10.1107/S2056989017008477","","","0.71075","MoKα","","0.0359","0.0341","","","0.0978","0.0991","","","","","","1.179","","","","has coordinates","245846","2020-10-21","18:00:00",""
"2311391","15.4638","0.0014","16.2069","0.001","17.6205","0.0015","90","","111.213","0.01","90","","4116.8","0.6","297","1","297","1","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","μ-Oxalato-κ^2^<i>O</i>^1^:<i>O</i>^2^-bis[triphenyl(dimethyl sulfoxide-κ<i>O</i>)tin(IV)]","","- C42 H42 O6 S2 Sn2 -","- C42 H42 O6 S2 Sn2 -","- C168 H168 O24 S8 Sn8 -","4","0.5","IM2477","Pouye, Serigne Fallou; Cisse, Ibrahima; Diop, Libasse; Dolmella, Alessandro; Bernès, Sylvain","Crystal structure of μ-oxalato-κ<sup>2</sup><i>O</i><sup>1</sup>:<i>O</i><sup>2</sup>-bis-[(dimethyl sulfoxide-κ<i>O</i>)tri-phenyl-tin(IV)].","Acta crystallographica. Section E, Crystallographic communications","2017","73","Pt 7","1033","1036","10.1107/S2056989017008519","","","0.71073","MoKα","","0.0984","0.0465","","","0.0747","0.0902","","","","","","1.021","","","","has coordinates,has disorder","245847","2020-10-21","18:00:00",""
"2311392","12.9983","0.0007","15.2709","0.001","15.5153","0.001","90","","90","","90","","3079.7","0.3","150","2","150","2","","","","","","","","7","P b c a","-P 2ac 2ab","61","","Dichlorido(1,10-phenanthroline-κ^2^<i>N</i>,<i>N</i>')gold(III) hexafluoridophosphate","","- C12 H8 Au Cl2 F6 N2 P -","- C12 H8 Au Cl2 F6 N2 P -","- C96 H64 Au8 Cl16 F48 N16 P8 -","8","1","WM5398","Ferraz de Paiva, Raphael Enoque; Nakahata, Douglas Hideki; Corbi, Pedro Paulo","Synthesis and crystal structure of di-chlorido-(1,10-phenanthroline-κ<sup>2</sup><i>N</i>,<i>N</i>')gold(III) hexa-fluorido-phosphate.","Acta crystallographica. Section E, Crystallographic communications","2017","73","Pt 7","1048","1051","10.1107/S2056989017008763","","","0.71073","MoKα","","0.0273","0.019","","","0.0381","0.0399","","","","","","1.007","","","","has coordinates","245848","2020-10-21","18:00:00",""
"2311393","12.2213","0.0002","42.2455","0.0007","15.5956","0.0003","90","","108.222","0.002","90","","7648.1","0.2","293","","293","","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","Tris(<i>N</i>-{bis[methyl(phenyl)amino]phosphoryl}benzenesulfonamidato-κ^2^<i>O</i>,<i>O</i>')(1,10-phenanthroline-κ^2^<i>N</i>,<i>N</i>')lanthanum(III)","","- C72 H71 La N11 O9 P3 S3 -","- C72 H71 La N11 O9 P3 S3 -","- C288 H284 La4 N44 O36 P12 S12 -","4","1","","Prytula-Kurkunova, Angelina Yu; Trush, Victor A.; Dyakonenko, Viktoriya V.; Sliva, Tetyana Yu; Amirkhanov, Vladimir M.","Tris(<i>N</i>-{bis-[meth-yl(phen-yl)amino]-phosphor-yl}benzene-sulfonamidato-κ<sup>2</sup><i>O</i>,<i>O</i>')(1,10-phenanthroline-κ<sup>2</sup><i>N</i>,<i>N</i>')lanthanum(III).","Acta crystallographica. Section E, Crystallographic communications","2017","73","Pt 7","1076","1081","10.1107/S2056989017008970","","","0.71073","MoKα","","0.0652","0.0467","","","0.1104","0.1193","","","","","","1.077","","","","has coordinates,has disorder","245849","2020-10-21","18:00:00",""
"2311394","10.8154","0.0009","9.3243","0.0007","13.3313","0.0011","90","","106.648","0.006","90","","1288.06","0.18","293","2","293","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","Dipotassium tetrathiocyanatomercurate(II)","","- C4 Hg K2 N4 S4 -","- C4 Hg K2 N4 S4 -","- C16 Hg4 K8 N16 S16 -","4","0.5","WM5399","Bandemehr, Jascha; Conrad, Matthias; Kraus, Florian","Redetermination of the crystal structure of K<sub>2</sub>Hg(SCN)<sub>4</sub>.","Acta crystallographica. Section E, Crystallographic communications","2017","73","Pt 7","1073","1075","10.1107/S2056989017009148","","","0.71073","MoKα","","0.0347","0.0244","","","0.0499","0.0533","","","","","","1.078","","","","has coordinates","245850","2020-10-21","18:00:00",""
"2311395","9.3022","0.001","28.482","0.003","5.5208","0.0006","90","","90","","90","","1462.7","0.3","100","2","100","2","","","","","","","","4","P n a 21","P 2c -2n","33","","2-(1<i>H</i>-1-Benzofuran-2-yl)-2-oxoethyl 2-nitrobenzoate","","- C17 H11 N O6 -","- C17 H11 N O6 -","- C68 H44 N4 O24 -","4","1","QM2116","Then, Li Yee; Chidan Kumar, C. S.; Kwong, Huey Chong; Win, Yip-Foo; Mah, Siau Hui; Quah, Ching Kheng; Naveen, S.; Warad, Ismail","Two closely related 2-(benzo-furan-2-yl)-2-oxoethyl benzoates: structural differences and C-H⋯O hydrogen-bonded supra-molecular assemblies.","Acta crystallographica. Section E, Crystallographic communications","2017","73","Pt 7","1087","1091","10.1107/S2056989017009422","","","0.71073","MoKα","","0.049","0.0382","","","0.0797","0.0854","","","","","","1.08","","","","has coordinates","245851","2020-10-21","18:00:00",""
"2311396","5.1839","0.0012","10.853","0.003","12.269","0.003","93.562","0.003","91.167","0.003","98.714","0.003","680.7","0.3","297","2","297","2","","","","","","","","4","P -1","-P 1","2","","2-(1<i>H</i>-1-Benzofuran-2-yl)-2-oxoethyl 2-aminobenzoate","","- C17 H13 N O4 -","- C17 H13 N O4 -","- C34 H26 N2 O8 -","2","1","","Then, Li Yee; Chidan Kumar, C. S.; Kwong, Huey Chong; Win, Yip-Foo; Mah, Siau Hui; Quah, Ching Kheng; Naveen, S.; Warad, Ismail","Two closely related 2-(benzo-furan-2-yl)-2-oxoethyl benzoates: structural differences and C-H⋯O hydrogen-bonded supra-molecular assemblies.","Acta crystallographica. Section E, Crystallographic communications","2017","73","Pt 7","1087","1091","10.1107/S2056989017009422","","","0.71073","MoKα","","0.0735","0.0464","","","0.1032","0.1229","","","","","","1.082","","","","has coordinates","245851","2020-10-21","18:00:00",""
"2311397","5.5333","0.0008","11.3212","0.0017","11.5186","0.0018","92.283","0.003","91.536","0.003","99.638","0.003","710.41","0.19","294","2","294","2","","","","","","","","4","P -1","-P 1","2","","2-(Benzofuran-2-yl)-2-oxoethyl 2-chlorobenzoate","","- C17 H11 Cl O4 -","- C17 H11 Cl O4 -","- C34 H22 Cl2 O8 -","2","1","QM2117","Then, Li Yee; Chidan Kumar, C. S.; Kwong, Huey Chong; Win, Yip-Foo; Mah, Siau Hui; Quah, Ching Kheng; Naveen, S.; Warad, Ismail","Steric repulsion and supra-molecular assemblies <i>via</i> a two-dimensional plate by C-H⋯O hydrogen bonds in two closely related 2-(benzo-furan-2-yl)-2-oxoethyl benzoates.","Acta crystallographica. Section E, Crystallographic communications","2017","73","Pt 8","1227","1231","10.1107/S2056989017010556","","","0.71073","MoKα","","0.0611","0.0449","","","0.1286","0.1453","","","","","","1.033","","","","has coordinates","245852","2020-10-21","18:00:00",""
"2311398","7.4094","0.0003","9.7566","0.0004","10.5832","0.0005","83.43","0.001","71.808","0.001","87.265","0.001","721.99","0.05","100","2","100","2","","","","","","","","3","P -1","-P 1","2","","2-(Benzofuran-2-yl)-2-oxoethyl 2-methoxybenzoate","","- C18 H14 O5 -","- C18 H14 O5 -","- C36 H28 O10 -","2","1","QM2117","Then, Li Yee; Chidan Kumar, C. S.; Kwong, Huey Chong; Win, Yip-Foo; Mah, Siau Hui; Quah, Ching Kheng; Naveen, S.; Warad, Ismail","Steric repulsion and supra-molecular assemblies <i>via</i> a two-dimensional plate by C-H⋯O hydrogen bonds in two closely related 2-(benzo-furan-2-yl)-2-oxoethyl benzoates.","Acta crystallographica. Section E, Crystallographic communications","2017","73","Pt 8","1227","1231","10.1107/S2056989017010556","","","0.71073","MoKα","","0.0543","0.0451","","","0.115","0.1242","","","","","","1.04","","","","has coordinates","245852","2020-10-21","18:00:00",""
"2311399","8.7837","0.0012","12.091","0.0016","14.0097","0.0019","97.5367","0.0015","105.15","0.0014","109.318","0.0014","1316.1","0.3","100","","100","","","","","","","","","7","P -1","-P 1","2","","Chlorido(dimethyl sulfoxide-κ<i>S</i>)bis[4-(pyridin-2-yl)benzaldehyde-κ^2^<i>C</i>^3^,<i>N</i>]iridium(III) acetonitrile monosolvate","","- C28 H25 Cl Ir N3 O3 S -","- C28 H25 Cl Ir N3 O3 S -","- C56 H50 Cl2 Ir2 N6 O6 S2 -","2","1","WM5400","Peloquin, Andrew J.; Smith, Madelyn B.; Balaich, Gary J.; Iacono, Scott T.","Crystal structure of chlorido-(dimethyl sulfoxide-κ<i>S</i>)bis-[4-(pyridin-2-yl)benzaldehyde-κ<sup>3</sup><i>C</i><sup>2</sup>,<i>N</i>]iridium(III) aceto-nitrile monosolvate.","Acta crystallographica. Section E, Crystallographic communications","2017","73","Pt 9","1279","1281","10.1107/S2056989017010945","","","0.71073","MoKα","","0.0158","0.0152","","","0.0363","0.0365","","","","","","1.681","","","","has coordinates","245853","2020-10-21","18:00:00",""
"2311400","6.6663","0.0003","10.6256","0.0005","33.3005","0.0017","90","","90","","90","","2358.8","0.2","100","2","100","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","Pulcherrin J","(4a<i>R</i>,5<i>S</i>,6a<i>R</i>,11a<i>R</i>,11b<i>R</i>)-4a-Hydroxy-4,4,11b-trimethyl-1,2,3,4,4a,5,6,6a,7,11,11a,11b-dodecahydrophenanthro[3,2-<i>b</i>]furan-5-yl cinnamate","","- C29 H36 O4 -","- C29 H36 O4 -","- C116 H144 O16 -","4","1","HB7687","Ogbeide, K. Osahon; Mujeeb-Ur-Rehman, ?; Owolabi, J. Bodunde; Falodun, Abiodun; Choudhary, M. Iqbal; Yousuf, Sammer","Crystal structure and Hirshfeld surface analysis of pulcherrin J.","Acta crystallographica. Section E, Crystallographic communications","2017","73","Pt 10","1572","1575","10.1107/S2056989017011239","","","1.54178","CuKα","","0.0531","0.0384","","","0.0769","0.0817","","","","","","1.047","","","","has coordinates","245855","2020-10-21","18:00:00",""
"2311401","11.6496","0.0007","18.5016","0.0011","17.1626","0.0009","90","","105.176","0.0016","90","","3570.2","0.4","100","","100","","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","[<i>N</i>^2^,<i>N</i>^6^-Bis(di-<i>tert</i>-butylphosphanyl)pyridine-2,6-diamine]dibromidomanganese(II)‒[bis(di-<i>tert</i>-butylphosphanyl)({6-[(di-<i>tert</i>-butylphosphanyl)amino]pyridin-2-yl}amino)phosphine oxide]dibromidomanganese(II)‒tetrahydrofuran (0.94/0.06/2)","","- C29 H57 Br2 Mn N3 O2.057 P2 -","- C29 H57.0016 Br2 Mn N3 O2.0569 P2 -","- C116 H228.006 Br8 Mn4 N12 O8.2276 P8 -","4","1","SJ5533","Rotter, Markus; Mastalir, Matthias; Glatz, Mathias; Stöger, Berthold; Kirchner, Karl","Crystal structure of the tetra-hydro-furan disolvate of a 94:6 solid solution of [<i>N</i><sup>2</sup>,<i>N</i><sup>6</sup>-bis-(di-<i>tert</i>-butyl-phosphan-yl)pyridine-2,6-di-amine]-dibromido-manganese(II) and its monophosphine oxide analogue.","Acta crystallographica. Section E, Crystallographic communications","2017","73","Pt 9","1308","1311","10.1107/S2056989017011276","","","0.71073","MoKα","","0.064","0.0394","","","0.0438","0.0453","","","","","","1.92","","","","has coordinates","245856","2020-10-21","18:00:00",""
"2311402","7.6304","0.0003","13.1897","0.0006","9.667","0.0004","90","","104.974","0.0017","90","","939.87","0.07","175","","175","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","Tetraaquabis(1,3-dimethyl-2,6-dioxo-7<i>H</i>-purin-7-ido-κ<i>N</i>^7^)cobalt(II)","","- C14 H22 Co N8 O8 -","- C14 H22 Co N8 O8 -","- C28 H44 Co2 N16 O16 -","2","0.5","","El Hamdani, Hicham; El Amane, Mohammed; Duhayon, Carine","Crystal structure of tetra-aqua-bis-(1,3-dimethyl-2,6-dioxo-7<i>H</i>-purin-7-ido-κ<i>N</i><sup>7</sup>)cobalt(II).","Acta crystallographica. Section E, Crystallographic communications","2017","73","Pt 9","1302","1304","10.1107/S2056989017011379","","","0.71073","MoKα","","0.0211","0.0208","","0.0236","0.023","0.0229","","","","","","1","","","","has coordinates","245857","2020-10-21","18:00:00",""
"2311403","5.5357","0.0016","8.548","0.002","27.026","0.007","90","","90","","90","","1278.8","0.6","273","","273","","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","Ethyl 2-amino-1-(4-fluorophenyl)-5-oxo-4,5-dihydro-1<i>H</i>-pyrrole-3-carboxylate:","","- C13 H13 F N2 O3 -","- C13 H13 F N2 O3 -","- C52 H52 F4 N8 O12 -","4","1","DS2246","Patel, U. H.; Jotaniya, Chintan; Shah, D. A.; Socha, Bhavesh","Ethyl 2-amino-1-(4-fluoro-phen-yl)-5-oxo-4,5-di-hydro-1<i>H</i>-pyrrole-3-carboxyl-ate: crystal structure and Hirshfeld surface analysis.","Acta crystallographica. Section E, Crystallographic communications","2017","73","Pt 9","1336","1340","10.1107/S2056989017011628","","","0.71073","MoKα","","","0.075","","","","0.148","","","","","","1.181","","","","has coordinates","245858","2020-10-21","18:00:00",""
"2311404","20.471","0.0008","5.5578","0.0002","10.791","0.0003","90","","98.122","0.003","90","","1215.42","0.07","100","2","100","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","(μ~2~-Adipato-κ^4^<i>O</i>,<i>O</i>':<i>O</i>'',<i>O</i>''')bis[aqua(benzene-1,2-diamine-κ^2^<i>N</i>,<i>N</i>')chloridocadmium]","","- C18 H28 Cd2 Cl2 N4 O6 -","- C18 H28 Cd2 Cl2 N4 O6 -","- C36 H56 Cd4 Cl4 N8 O12 -","2","0.5","HB7697","Rahman, Wannur Sofiasalamah Khairiah A.; Ahmad, J.; Halim, Siti Nadiah Abdul; Jotani, Mukesh M.; Tiekink, Edward R. T.","(μ<sub>2</sub>-Adipato-κ<sup>4</sup><i>O</i>,<i>O</i>':<i>O</i>'',<i>O</i>''')bis-[aqua-(benzene-1,2-di-amine-κ<sup>2</sup><i>N</i>,<i>N</i>')-chlorido-cadmium]: crystal structure and Hirshfeld surface analysis.","Acta crystallographica. Section E, Crystallographic communications","2017","73","Pt 9","1363","1367","10.1107/S2056989017011677","","","0.71073","MoKα","","0.0355","0.0281","","","0.0605","0.0648","","","","","","1.043","","","","has coordinates","245859","2020-10-21","18:00:00",""
"2311405","23.4004","0.0005","15.1685","0.0004","9.2353","0.0003","90","","90","","90","","3278.06","0.15","296","2","296","2","","","","","","","","5","P b c n","-P 2n 2ab","60","","Aquabis(nicotinamide-κ<i>N</i>^1^)bis(2,4,6-trimethylbenzoato-κ<i>O</i>)zinc","","- C32 H36 N4 O7 Zn -","- C32 H36 N4 O7 Zn -","- C128 H144 N16 O28 Zn4 -","4","0.5","IS5478","Hökelek, Tuncer; Aşkın, Gülçin Şefiye; Özkaya, Safiye; Necefoğlu, Hacali","Crystal structure and Hirshfeld surface analysis of aqua-bis-(nicotinamide-κ<i>N</i><sup>1</sup>)bis-(2,4,6-tri-methyl-benzoato-κ<i>O</i>)zinc.","Acta crystallographica. Section E, Crystallographic communications","2017","73","Pt 9","1348","1352","10.1107/S2056989017011690","","","0.71073","MoKα","","0.0575","0.0446","","","0.1177","0.1272","","","","","","1.082","","","","has coordinates","245860","2020-10-21","18:00:00",""
"2311406","29.5091","0.0015","6.227","0.0004","20.2703","0.001","90","","91.13","0.004","90","","3724","0.4","296","","296","","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","(<i>E</i>)-2,6-Di-<i>tert</i>-butyl-4-{[2-(pyridin-2-yl)hydrazin-1-ylidene)methyl}phenol","","- C20 H27 N3 O -","- C20 H27 N3 O -","- C160 H216 N24 O8 -","8","1","HG5492","Faizi, Md Serajul Haque; Haque, Ashanul; Dege, Mustafa; Dege, Necmi; Malysheva, Maria L.","Crystal structure and DFT study of (<i>E</i>)-2,6-di-<i>tert</i>-butyl-4-{[2-(pyridin-2-yl)hydrazin-1-yl-idene)meth-yl}phenol.","Acta crystallographica. Section E, Crystallographic communications","2017","73","Pt 10","1449","1452","10.1107/S2056989017011707","","","0.71073","MoKα","","0.1935","0.101","","","0.268","0.3213","","","","","","0.961","","","","has coordinates","245861","2020-10-21","18:00:00",""
"2311407","6.897","0.002","7.05","0.001","9.853","0.003","101.042","0.007","109.559","0.01","94.196","0.006","438.2","0.2","173","2","173","2","","","","","","","","6","P -1","-P 1","2","","<i>catena</i>-poly[[aquachloridomanganese(II)]-di-μ-chlorido-[aquachloridomanganese(II)]-bis(μ-pyridine <i>N</i>-oxide)]","","- C5 H7 Cl2 Mn N O2 -","- C5 H7 Cl2 Mn N O2 -","- C10 H14 Cl4 Mn2 N2 O4 -","2","1","ZL2709","Kang, Linda; Lynch, Genevieve; Lynch, Will; Padgett, Clifford","Manganese(II) chloride complexes with pyridine <i>N</i>-oxide (PNO) derivatives and their solid-state structures.","Acta crystallographica. Section E, Crystallographic communications","2017","73","Pt 10","1434","1438","10.1107/S2056989017012038","","","0.71073","MoKα","","0.037","0.0311","","","0.0729","0.0797","","","","","","1.136","","","","has coordinates","245862","2020-10-21","18:00:00",""
"2311408","6.862","0.002","7.491","0.002","18.047","0.005","90","","90","","90","","927.7","0.4","173","2","173.15","","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","<i>catena</i>-Poly[[aquachloridomanganese(II)]-di-μ-chlorido-[aquachloridomanganese(II)]-bis(μ-2-methylpyridine <i>N</i>-oxide)]","","- C6 H9 Cl2 Mn N O2 -","- C6 H9 Cl2 Mn N O2 -","- C24 H36 Cl8 Mn4 N4 O8 -","4","1","","Kang, Linda; Lynch, Genevieve; Lynch, Will; Padgett, Clifford","Manganese(II) chloride complexes with pyridine <i>N</i>-oxide (PNO) derivatives and their solid-state structures.","Acta crystallographica. Section E, Crystallographic communications","2017","73","Pt 10","1434","1438","10.1107/S2056989017012038","","","0.71075","MoKα","","0.0631","0.0511","","","0.094","0.1","","","","","","1.119","","","","has coordinates,has disorder","245862","2020-10-21","18:00:00",""
"2311409","7.902","0.007","8.026","0.007","9.893","0.008","98.033","0.001","99.272","0.007","113.634","0.011","552.6","0.8","173","2","173","","","","","","","","","6","P -1","-P 1","2","","Bis(μ-3-methylpyridine <i>N</i>-oxide)bis[diaquadichloridomanganese(II)]","","- C12 H22 Cl4 Mn2 N2 O6 -","- C12 H22 Cl4 Mn2 N2 O6 -","- C12 H22 Cl4 Mn2 N2 O6 -","1","0.5","","Kang, Linda; Lynch, Genevieve; Lynch, Will; Padgett, Clifford","Manganese(II) chloride complexes with pyridine <i>N</i>-oxide (PNO) derivatives and their solid-state structures.","Acta crystallographica. Section E, Crystallographic communications","2017","73","Pt 10","1434","1438","10.1107/S2056989017012038","","","0.71073","MoKα","","0.033","0.0313","","","0.0852","0.0871","","","","","","1.07","","","","has coordinates","245862","2020-10-21","18:00:00",""
"2311410","8.073","0.0004","11.0143","0.0004","23.0453","0.0007","87.54","0.003","89.175","0.003","87.729","0.003","2045.49","0.14","123","2","123","2","","","","","","","","7","P -1","-P 1","2","","Bis(3,5-dimethoxy-2-{[2-(pyridin-2-yl)ethylimino-κ<i>N</i>]methyl}phenolato-κ<i>O</i>)bis(dimethyl sulfoxide)manganese(III) perchlorate methanol 0.774-solvate","","- C36.77 H49.1 Cl Mn N4 O12.77 S2 -","- C36.774 H49.096 Cl Mn N4 O12.774 S2 -","- C73.548 H98.192 Cl2 Mn2 N8 O25.548 S4 -","2","1","IM2481","Egekenze, Rita; Gultneh, Yilma; Butcher, Ray J.","Bis(3,5-dimeth-oxy-2-{[2-(pyridin-2-yl)ethyl-imino-κ<i>N</i>]-meth-yl}phenolato-κ<i>O</i>)bis-(dimethyl sulfoxide)-manganese(III) perchlorate methanol 0.774-solvate.","Acta crystallographica. Section E, Crystallographic communications","2017","73","Pt 10","1479","1482","10.1107/S205698901701204X","","","0.71073","MoKα","","0.0782","0.0603","","","0.1387","0.1487","","","","","","1.103","","","","has coordinates,has disorder","245863","2020-10-21","18:00:00",""
"2311411","7.8273","0.001","6.4466","0.001","6.1304","0.0008","90","","90","","90","","309.34","0.07","173","2","173","2","","","","","","","","3","P m n 21","P 2ac -2","31","","Lithium tetrachloridoaluminate","","- Al Cl4 Li -","- Al Cl4 Li -","- Al2 Cl8 Li2 -","2","0.5","WM5410","Prömper, Stephan W; Frank, Walter","Lithium tetra-chlorido-aluminate, LiAlCl<sub>4</sub>: a new polymorph (<i>oP</i>12, <i>Pmn</i>2<sub>1</sub>) with Li<sup>+</sup> in tetra-hedral inter-stices.","Acta crystallographica. Section E, Crystallographic communications","2017","73","Pt 10","1426","1429","10.1107/S205698901701235X","","","0.71073","MoKα","","0.0309","0.0282","","","0.074","0.0745","","","","","","1.207","","","","has coordinates","245864","2020-10-21","18:00:00",""
"2311412","14.71","0.0011","10.7163","0.0006","14.9312","0.0012","90","","91.828","0.01","90","","2352.5","0.3","153","2","153","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","Dichloro-tetrakis[μ-4-(ammoniomethyl)cyclohexane-1-carboxylato-\ <i>O</i>,<i>O</i>']dicopper(II) dichloride hexahydrate","","- C32 H72 Cl4 Cu2 N4 O14 -","- C32 H72 Cl4 Cu2 N4 O14 -","- C64 H144 Cl8 Cu4 N8 O28 -","2","0.5","","Altaf, Muhammad; Stoeckli-Evans, Helen","A copper(II) paddle-wheel structure of tranexamic acid: di-chloro-tetra-kis-[μ-4-(ammonio-meth-yl)cyclo-hexane-1-carboxyl-ato-<i>O</i>,<i>O</i>']dicopper(II) dichloride hexa-hydrate.","Acta crystallographica. Section E, Crystallographic communications","2017","73","Pt 10","1421","1425","10.1107/S2056989017012543","","","0.71073","MoKα","","0.0907","0.0666","","","0.1846","0.1964","","","","","","1.019","","","","has coordinates","245865","2020-10-21","18:00:00",""
"2311413","10.9097","0.0003","12.9481","0.0003","15.4066","0.0004","97.78","0.002","99.924","0.002","99.003","0.002","2087.68","0.1","133","2","133","2","","","","","","","","5","P -1","-P 1","2","","Bis(<i>N</i>,<i>N</i>'-dicyclohexylamidinatocarboranate)tin(II)","","- C30 H66 B20 N4 Sn -","- C30 H66 B20 N4 Sn -","- C60 H132 B40 N8 Sn2 -","2","1","ZL2714","Harmgarth, Nicole; Liebing, Phil; Hillebrand, Philipp; Busse, Sabine; Edelmann, Frank T.","Synthesis and crystal structures of two new tin bis-(carboranylamidinate) complexes.","Acta crystallographica. Section E, Crystallographic communications","2017","73","Pt 10","1443","1448","10.1107/S2056989017012671","","","0.71073","MoKα","","0.0256","0.022","","","0.0565","0.0577","","","","","","1.049","","","","has coordinates","245866","2020-10-21","18:00:00",""
"2311414","11.3063","0.0004","13.4631","0.0004","13.7953","0.0004","97.078","0.002","106.572","0.002","113.377","0.002","1779.52","0.11","153","2","153","2","","","","","","","","6","P -1","-P 1","2","","Bis(<i>N</i>,<i>N</i>'-diisopropylamidinatocarboranate)chloridotin(IV)","","- C18 H49 B20 Cl N4 Sn -","- C18 H49 B20 Cl N4 Sn -","- C36 H98 B40 Cl2 N8 Sn2 -","2","1","","Harmgarth, Nicole; Liebing, Phil; Hillebrand, Philipp; Busse, Sabine; Edelmann, Frank T.","Synthesis and crystal structures of two new tin bis-(carboranylamidinate) complexes.","Acta crystallographica. Section E, Crystallographic communications","2017","73","Pt 10","1443","1448","10.1107/S2056989017012671","","","0.71073","MoKα","","0.0526","0.0394","","","0.087","0.0917","","","","","","1.015","","","","has coordinates","245866","2020-10-21","18:00:00",""
"2311415","11.69","0.004","8.33","0.002","16.16","0.005","90","","90.31","0.02","90","","1573.6","0.8","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","4-Azaniumyl-2,2,6,6-tétraméthylpipéridin-1-ium diperchlorate","","- C9 H22 Cl2 N2 O8 -","- C9 H22 Cl2 N2 O8 -","- C36 H88 Cl8 N8 O32 -","4","1","VM2204","Chebbi, Hammouda; Boumakhla, Abdessalem; Zid, Mohamed Faouzi; Guesmi, Abderrahmen","Structure cristalline et analyses thermique et de surface Hirshfeld du diperchlorate de 4-aza-niumyl-2,2,6,6-tétraméthylpipéridin-1-ium.","Acta crystallographica. Section E, Crystallographic communications","2017","73","Pt 10","1453","1457","10.1107/S2056989017012695","","","0.71073","MoKα","","0.0901","0.0606","","","0.1568","0.1759","","","","","","1.038","","","","has coordinates,has disorder","245867","2020-10-21","18:00:00",""
"2311416","8.829","0.005","11.68","0.007","7.727","0.005","90","","113.475","0.01","90","","730.9","0.8","173","","173","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","EBTB","2-(Benzenecarbothioyloxy)ethyl benzenecarbothioate","","- C16 H14 O2 S2 -","- C16 H14 O2 S2 -","- C32 H28 O4 S4 -","2","0.5","","Tanaka, Syuto; Masu, Hyuma; Sasanuma, Yuji","Crystal structures of 2-(benzene-carbo-thio-yloxy)ethyl benzene-carbo-thio-ate and 2-(benzene-carbo-thio-yloxy)ethyl benzoate.","Acta crystallographica. Section E, Crystallographic communications","2017","73","Pt 10","1430","1433","10.1107/S2056989017012701","","","0.71073","MoKα","","0.0318","0.0291","","","0.0777","0.0802","","","","","","1.029","","","","has coordinates","245868","2020-10-21","18:00:00",""
"2311417","8.8","0.005","11.403","0.006","7.506","0.004","90","","113.831","0.006","90","","689","0.6","173","","173","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","EMTB","2-(Benzenecarbothioyloxy)ethyl benzoate","","- C16 H14 O3 S -","- C16 H14 O3 S -","- C32 H28 O6 S2 -","2","0.5","","Tanaka, Syuto; Masu, Hyuma; Sasanuma, Yuji","Crystal structures of 2-(benzene-carbo-thio-yloxy)ethyl benzene-carbo-thio-ate and 2-(benzene-carbo-thio-yloxy)ethyl benzoate.","Acta crystallographica. Section E, Crystallographic communications","2017","73","Pt 10","1430","1433","10.1107/S2056989017012701","","","0.71073","MoKα","","0.0452","0.0382","","","0.0855","0.0897","","","","","","1.079","","","","has coordinates,has disorder","245868","2020-10-21","18:00:00",""
"2311418","11.499","0.004","8.571","0.0019","25.945","0.007","90","","95.515","0.008","90","","2545.2","1.3","153","2","153","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","Bis[<i>N</i>-2-hydroxyethyl,<i>N</i>-methyldithiocarbamato-κ^2^<i>S</i>,\ <i>S</i>)'-4-{[(pyridin-4-ylmethylidene)hydrazinylidene}methyl]pyridine-\ κ<i>N</i>^1^)zinc(II)","","- C20 H26 N6 O2 S4 Zn -","- C20 H26 N6 O2 S4 Zn -","- C80 H104 N24 O8 S16 Zn4 -","4","1","HB7702","Broker, Grant A.; Jotani, Mukesh M.; Tiekink, Edward R. T.","Bis[<i>N</i>-2-hy-droxy-ethyl,<i>N</i>-methyl-dithio-carbamato-κ<sup>2</sup><i>S</i>,<i>S</i>)'-4-{[(pyridin-4-yl-methyl-idene)hydrazinyl-idene}meth-yl]pyridine-κ<i>N</i><sup>1</sup>)zinc(II): crystal structure and Hirshfeld surface analysis.","Acta crystallographica. Section E, Crystallographic communications","2017","73","Pt 10","1458","1464","10.1107/S2056989017012725","","","0.71069","MoKα","","0.0543","0.0497","","","0.1287","0.1322","","","","","","1.126","","","","has coordinates","245869","2020-10-21","18:00:00",""
"2311419","8.3993","0.0003","9.103","0.0003","15.6862","0.0005","92.116","0.002","101.113","0.002","112.81","0.002","1076.53","0.07","173","2","173","2","","","","","","","","6","P -1","-P 1","2","flucetosulfuron","1-[3-({[(4,6-Dimethoxypyrimidin-2-yl)carbamoyl]amino}sulfonyl)pyridin-2-yl]-\ 2-fluoropropyl 2-methoxyacetate","","- C18 H22 F N5 O8 S -","- C18 H22 F N5 O8 S -","- C36 H44 F2 N10 O16 S2 -","2","1","","Park, Hyunjin; Kim, Jineun; Kwon, Eunjin; Kim, Tae Ho","Crystal structure of flucetosulfuron.","Acta crystallographica. Section E, Crystallographic communications","2017","73","Pt 10","1439","1442","10.1107/S2056989017012737","","","0.71073","MoKα","","0.0506","0.0394","","","0.0934","0.0986","","","","","","1.062","","","","has coordinates","245870","2020-10-21","18:00:00",""
"2311420","8.1358","0.0002","23.8364","0.0007","10.5983","0.0003","90","","110.21","0.001","90","","1928.77","0.09","296","2","296","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","1-Benzenesulfonyl-2-methyl-3-(4-nitrobenzoyl)-2,3-dihydro-1<i>H</i>-indole","","- C22 H16 N2 O5 S -","- C22 H16 N2 O5 S -","- C88 H64 N8 O20 S4 -","4","1","FF2151","Dhanalakshmi, G.; Saravanan, Velu; Mohanakrishnan, Arasambattu K.; Aravindhan, S.","Crystal structures of 1-benzene-sulfon-yl-2-methyl-3-(4-nitro-benzoyl)-2,3-di-hydro-1<i>H</i>-indole and 1-benzene-sulfon-yl-2-methyl-3-[(thio-phen-2-yl)carbon-yl]-2,3-di-hydro-1<i>H</i>-indole.","Acta crystallographica. Section E, Crystallographic communications","2017","73","Pt 10","1555","1559","10.1107/S2056989017012804","","","1.54178","CuKα","","0.0472","0.0422","","","0.1139","0.1177","","","","","","1.065","","","","has coordinates","245871","2020-10-21","18:00:00",""
"2311421","8.93","0.0002","10.8141","0.0003","18.6398","0.0005","90","","90","","90","","1800.04","0.08","293","2","293","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","1-Benzenesulfonyl-2-methyl-3-[(thiophen-2-yl)carbonyl]-2,3-dihydro-1<i>H</i>-indole","","- C20 H15 N O3 S2 -","- C20 H15 N O3 S2 -","- C80 H60 N4 O12 S8 -","4","1","FF2151","Dhanalakshmi, G.; Saravanan, Velu; Mohanakrishnan, Arasambattu K.; Aravindhan, S.","Crystal structures of 1-benzene-sulfon-yl-2-methyl-3-(4-nitro-benzoyl)-2,3-di-hydro-1<i>H</i>-indole and 1-benzene-sulfon-yl-2-methyl-3-[(thio-phen-2-yl)carbon-yl]-2,3-di-hydro-1<i>H</i>-indole.","Acta crystallographica. Section E, Crystallographic communications","2017","73","Pt 10","1555","1559","10.1107/S2056989017012804","","","1.54178","CuKα","","0.0422","0.0394","","","0.1038","0.1064","","","","","","1.061","","","","has coordinates","245871","2020-10-21","18:00:00",""
"2311422","7.6131","0.0005","11.7216","0.0007","27.7076","0.0017","90","","90","","90","","2472.6","0.3","150","2","150","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","6a<i>R</i>,6 b<i>R</i>,8a<i>S</i>,9a<i>R</i>,12a<i>R</i>,14b<i>R</i>)-4,4,6a,6 b,8a,14b-Hexamethyl-12-methyleneicosahydro-3<i>H</i>-phenanthro[1',2':6,7]indeno[2,1-<i>b</i>]furan-3,11(2<i>H</i>)-dione","","- C30 H44 O3 -","- C30 H44 O3 -","- C120 H176 O12 -","4","1","LH4023","Herrera-España, Angel D; Mena-Rejón, Gonzalo J; Hernández-Ortega, Simón; Quijano, Leovigildo; Mirón-López, Gumersindo","Crystal structure of ochraceolide A isolated from <i>Elaeodendron trichotomum</i> (Turcz.) Lundell.","Acta crystallographica. Section E, Crystallographic communications","2017","73","Pt 10","1475","1478","10.1107/S2056989017012816","","","1.54178","CuKα","","0.0668","0.0608","","","0.1565","0.1639","","","","","","1.088","","","","has coordinates","245872","2020-10-21","18:00:00",""
"2311423","9.8815","0.0006","14.0448","0.0009","21.2332","0.0013","90","","99.924","0.002","90","","2902.7","0.3","223","2","223","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","{<i>O</i>-Ethyl <i>N</i>-(4-nitrophenyl)thiocarbamato-κ<i>S</i>}(tri-4-tolylphosphane-κ<i>P</i>)gold(I)","","- C30 H30 Au N2 O3 P S -","- C30 H30 Au N2 O3 P S -","- C120 H120 Au4 N8 O12 P4 S4 -","4","1","HB7703","Kuan, Fong Sheen; Jotani, Mukesh M.; Tiekink, Edward R. T.","New monoclinic form of {<i>O</i>-Ethyl <i>N</i>-(4-nitro-phen-yl)thio-carbamato-κ<i>S</i>}(tri-4-tolyl-phosphane-κ<i>P</i>)gold(I): crystal structure and Hirshfeld surface analysis.","Acta crystallographica. Section E, Crystallographic communications","2017","73","Pt 10","1465","1471","10.1107/S2056989017012865","","","0.71069","MoKα","","0.0429","0.0307","","","0.0724","0.078","","","","","","0.947","","","","has coordinates","245873","2020-10-21","18:00:00",""
"2311424","9.2545","0.0009","21.7246","0.0019","9.4531","0.0009","90","","94.763","0.009","90","","1894","0.3","296","2","296","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","<i>N</i>,<i>N</i>-Dimethyl-[2-(2,2-diphenyl)-2-prop-2-ynyloxyacetoxy]ethylamine","","- C21 H23 N O3 -","- C21 H23 N O3 -","- C84 H92 N4 O12 -","4","1","BQ2403","Shaibah, Mohammed A. E.; Yathirajan, Hemmige S.; Kumar, S. Madan; Byrappa, Kullaiah; Glidewell, Christopher","Crystal structures of <i>N</i>,<i>N</i>-dimethyl-(2-(2,2-diphen-yl)-2-prop-2-yn-yloxy)acet-oxy)ethyl-amine and <i>N</i>,<i>N</i>-dimethyl-(2-(2,2-diphen-yl)-2-prop-2-yn-yl‒oxy)acet-oxy)ethyl-ammonium 2,4,6-tri-nitro-phenolate.","Acta crystallographica. Section E, Crystallographic communications","2017","73","Pt 10","1488","1492","10.1107/S2056989017012968","","","0.71073","MoKα","","0.1288","0.064","","","0.152","0.1945","","","","","","1.038","","","","has coordinates,has disorder","245874","2020-10-21","18:00:00",""
"2311425","7.5208","0.0003","8.3919","0.0003","22.2282","0.0007","85.099","0.003","84.294","0.003","75.117","0.003","1346.5","0.09","296","2","296","2","","","","","","","","4","P -1","-P 1","2","","<i>N</i>,<i>N</i>-Dimethyl-[2-(2,2-diphenyl)-2-prop-2-ynyloxy\ acetoxy]ethylammonium 2,4,6-trinitrophenolate","","- C27 H26 N4 O10 -","- C27 H26 N4 O10 -","- C54 H52 N8 O20 -","2","1","BQ2403","Shaibah, Mohammed A. E.; Yathirajan, Hemmige S.; Kumar, S. Madan; Byrappa, Kullaiah; Glidewell, Christopher","Crystal structures of <i>N</i>,<i>N</i>-dimethyl-(2-(2,2-diphen-yl)-2-prop-2-yn-yloxy)acet-oxy)ethyl-amine and <i>N</i>,<i>N</i>-dimethyl-(2-(2,2-diphen-yl)-2-prop-2-yn-yl‒oxy)acet-oxy)ethyl-ammonium 2,4,6-tri-nitro-phenolate.","Acta crystallographica. Section E, Crystallographic communications","2017","73","Pt 10","1488","1492","10.1107/S2056989017012968","","","0.71073","MoKα","","0.0863","0.0529","","","0.1158","0.1359","","","","","","1.048","","","","has coordinates,has disorder","245874","2020-10-21","18:00:00",""
"2311426","7.4849","0.0002","16.2063","0.0004","20.0959","0.0007","90","","90","","90","","2437.68","0.12","296","2","296","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","2-Methylpyridinium hydrogen 2,3-bis(4-methylbenzoyloxy)succinate","2-Methylpyridinium hydrogen 2,3-bis(4-methylbenzoyloxy)succinate","","- C26 H25 N O8 -","- C26 H25 N O8 -","- C104 H100 N4 O32 -","4","1","ZS2388","Sivakumar, P.; Israel, S.; Chakkaravarthi, G.","Crystal structures of 2-methyl-pyridinium hydrogen 2,3-bis-(4-methyl-benzo-yloxy)succinate and bis-[4-methyl-pyridinium hydrogen 2,3-bis-(4-methyl-benzo-yloxy)succinate] penta-hydrate.","Acta crystallographica. Section E, Crystallographic communications","2017","73","Pt 10","1483","1487","10.1107/S2056989017012981","","","0.71073","MoKα","","0.1088","0.0526","","","0.104","0.1237","","","","","","1.013","","","","has coordinates","245875","2020-10-21","18:00:00",""
"2311427","7.5106","0.0002","10.0155","0.0003","18.5203","0.0005","75.646","0.002","88.438","0.002","86.344","0.002","1346.81","0.07","296","2","296","2","","","","","","","","4","P 1","P 1","1","Bis-[4-methylpyridinium hydrogen 2,3-bis(4-methylbenzoyloxy)succinate] pentahydrate","Bis-[4-methylpyridinium hydrogen 2,3-bis(4-methylbenzoyloxy)succinate] pentahydrate","","- C26 H30 N O10.5 -","- C26 H30 N O10.5 -","- C52 H60 N2 O21 -","2","2","ZS2388","Sivakumar, P.; Israel, S.; Chakkaravarthi, G.","Crystal structures of 2-methyl-pyridinium hydrogen 2,3-bis-(4-methyl-benzo-yloxy)succinate and bis-[4-methyl-pyridinium hydrogen 2,3-bis-(4-methyl-benzo-yloxy)succinate] penta-hydrate.","Acta crystallographica. Section E, Crystallographic communications","2017","73","Pt 10","1483","1487","10.1107/S2056989017012981","","","0.71073","MoKα","","0.0737","0.0436","","","0.106","0.1211","","","","","","1.023","","","","has coordinates","279947","2022-12-20","10:58:45",""
"2311428","8.726","0.0007","15.236","0.003","8.6642","0.0007","90","","98.046","0.008","90","","1140.6","0.3","293","2","293","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","α-Aminomethylidene-2,3-pentamethylenepyrido[2,3-<i>d</i>]pyrimidin-4-one","(<i>E</i>)-11-(Aminomethylene)-8,9,10,11-tetrahydropyrido[2',3':4,5]pyrimido[1,2-<i>a</i>]azepin-5(7<i>H</i>)-one","","- C13 H14 N4 O -","- C13 H14 N4 O -","- C52 H56 N16 O4 -","4","1","XU5905","Khodjaniyazov, Khamid U.; Makhmudov, Utkir S.; Turgunov, Kambarali K.; Elmuradov, Burkhon Z.","Unusual formation of (<i>E</i>)-11-(amino-methyl-ene)-8,9,10,11-tetra-hydro-pyrido[2',3':4,5]pyrimido[1,2-<i>a</i>]azepin-5(7<i>H</i>)-one and its crystal structure.","Acta crystallographica. Section E, Crystallographic communications","2017","73","Pt 10","1497","1500","10.1107/S2056989017013093","","","1.54184","CuKα","","0.0865","0.0497","","","0.1154","0.1413","","","","","","1.038","","","","has coordinates","245876","2020-10-21","18:00:00",""
"2311429","22.5649","0.0016","12.6823","0.0009","14.9051","0.0011","90","","129.699","0.003","90","","3281.9","0.4","173","2","173","2","","","","","","","","7","C 1 2/c 1","-C 2yc","15","fipronil","5-Amino-1-[2,6-dichloro-4-(trifluoromethyl)phenyl]-4-[(trifluoromethane)sulfinyl]-1<i>H</i>-pyrazole-3-carbonitrile","","- C12 H4 Cl2 F6 N4 O S -","- C12 H4 Cl2 F6 N4 O S -","- C96 H32 Cl16 F48 N32 O8 S8 -","8","1","","Park, Hyunjin; Kim, Jineun; Kwon, Eunjin; Kim, Tae Ho","Crystal structure of fipronil.","Acta crystallographica. Section E, Crystallographic communications","2017","73","Pt 10","1472","1474","10.1107/S205698901701310X","","","0.71073","MoKα","","0.0796","0.0483","","","0.1055","0.1202","","","","","","1.032","","","","has coordinates,has disorder","245877","2020-10-21","18:00:00",""
"2311430","7.597","0.0007","11.6665","0.0012","7.6754","0.0008","90","","114.2","0.003","90","","620.49","0.11","295","","295","","","","","","","","","4","P 1 c 1","P -2yc","7","","4-Aminobenzoic acid 4-methylpyridine/4-methylpyridinium 4-aminobenzoate 0.58/0.42","","- C13 H14 N2 O2 -","- C13 H14 N2 O2 -","- C26 H28 N4 O4 -","2","1","SU5390","Fábry, Jan","4-Amino-benzoic acid 4-methyl-pyridine/4-methyl-pyridinium 4-amino-benzoate 0.58/0.42: a redetermination from the original data.","Acta crystallographica. Section E, Crystallographic communications","2017","73","Pt 10","1508","1512","10.1107/S2056989017013226","","","0.71073","MoKα","","0.0712","0.0307","","","0.056","0.0668","","","","","","1.29","","","","has coordinates","245878","2020-10-21","18:00:00",""
"2311431","5.9168","0.0003","28.3733","0.0012","21.0782","0.0011","90","","97.836","0.005","90","","3505.5","0.3","293","2","293","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","4-(Benzhydryloxy)-1-[4-(4-<i>tert</i>-butylphenyl)-4-oxobutyl]piperidinium 3,5-dinitrobenzoate","","- C39 H43 N3 O8 -","- C39 H43 N3 O8 -","- C156 H172 N12 O32 -","4","1","SU5391","Shaibah, Mohammed A. E.; Sagar, Belakavadi K.; Yathirajan, Hemmige S.; Kumar, S. Madan; Glidewell, Christopher","Crystal structure of ebastinium 3,5-di-nitro-benzoate.","Acta crystallographica. Section E, Crystallographic communications","2017","73","Pt 10","1513","1516","10.1107/S205698901701324X","","","0.71073","MoKα","","0.1127","0.0651","","","0.1465","0.1794","","","","","","1.047","","","","has coordinates,has disorder","245879","2020-10-21","18:00:00",""
"2311432","8.2228","0.0009","18.1289","0.0019","9.945","0.001","90","","106.612","0.003","90","","1420.6","0.3","296","2","296","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","4-Methoxy-<i>N</i>-(piperidine-1-carbonothioyl)benzamide","","- C14 H18 N2 O2 S -","- C14 H18 N2 O2 S -","- C56 H72 N8 O8 S4 -","4","1","","Suhud, Khairi; Hasbullah, Siti Aishah; Ahmad, Musa; Heng, Lee Yook; Kassim, Mohammad B.","Crystal structure of 4-meth-oxy-<i>N</i>-(piperidine-1-carbono-thio-yl)benzamide.","Acta crystallographica. Section E, Crystallographic communications","2017","73","Pt 10","1530","1533","10.1107/S2056989017013317","","","0.71073","MoKα","","0.1009","0.0813","","","0.2239","0.2507","","","","","","1.027","","","","has coordinates","245880","2020-10-21","18:00:00",""
"2311433","3.9464","0.0002","11.5015","0.0005","19.297","0.0009","90","","90","","90","","875.88","0.07","296","2","296","2","","","","","","","","4","P b c n","-P 2n 2ab","60","Di(thiophen-3-yl) ketone","Bis(thiophen-3-yl)methanone","","- C9 H6 O S2 -","- C9 H6 O S2 -","- C36 H24 O4 S8 -","4","0.5","QM2119","Hübscher, Jörg; Augustin, André U; Seichter, Wilhelm; Weber, Edwin","Crystal structure of a new polymorph of di(thio-phen-3-yl) ketone.","Acta crystallographica. Section E, Crystallographic communications","2017","73","Pt 10","1560","1562","10.1107/S2056989017013342","","","0.71073","MoKα","","0.0744","0.0472","","","0.1264","0.1608","","","","","","1.129","","","","has coordinates","245881","2020-10-21","18:00:00",""
"2311434","22.2362","0.0007","6.7922","0.0018","18.9098","0.0005","90","","103.989","0.003","90","","2771.3","0.7","173","2","173","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","(<i>E</i>)-2,6-Dibromo-4-{2-[1-(1<i>H</i>,1<i>H</i>,2<i>H</i>,2<i>H</i>-perfluorooctyl)pyridinium-4-yl]ethenyl}phenolate methanol disolvate","","- C23 H20 Br2 F13 N O3 -","- C23 H20 Br2 F13 N O3 -","- C92 H80 Br8 F52 N4 O12 -","4","1","LH5850","Fliri, Lukas; Partl, Gabriel; Gelbrich, Thomas; Kahlenberg, Volker; Laus, Gerhard; Schottenberger, Herwig","(<i>E</i>)-2,6-Di-bromo-4-{2-[1-(1<i>H</i>,1<i>H</i>,2<i>H</i>,2<i>H</i>-perfluoro-oct-yl)pyridinium-4-yl]ethen-yl}phenolate methanol disolvate, a fluoro-ponytailed solvatochromic dye.","Acta crystallographica. Section E, Crystallographic communications","2017","73","Pt 10","1526","1529","10.1107/S2056989017013378","","","1.54184","CuKα","","0.0556","0.0401","","","0.0948","0.1059","","","","","","1.048","","","","has coordinates,has disorder","245882","2020-10-21","18:00:00",""
"2311435","11.42069","0.00019","7.23911","0.00012","21.699","0.0003","90","","103.154","0.0016","90","","1746.91","0.05","110","2","110","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","Aqua[aqua/chlorido(0.49/0.51)](2-{[6-(dimethylamino)pyrimidin-4-yl]sulfanyl}pyrimidine-4,6-diamine)copper(II) 0.49-chloride 1.51-hydrate","","- C10 H19 Cl2 Cu N7 O3 S -","- C10 H19 Cl2 Cu N7 O3 S -","- C40 H76 Cl8 Cu4 N28 O12 S4 -","4","1","ZL2715","Moyaert, Tristen E.; Paul, Christina; Chen, Weibin; Sarjeant, Amy A.; Dawe, Louise N.","Aqua-chlorido-(2-{[6-(di-methyl-amino)-pyrimidin-4-yl]sulfan-yl}pyrimidine-4,6-di-amine)-copper(II) chloride hydrate.","Acta crystallographica. Section E, Crystallographic communications","2017","73","Pt 10","1534","1538","10.1107/S205698901701338X","","","1.54178","CuKα","","0.0386","0.0297","","","0.0742","0.079","","","","","","1.04","","","","has coordinates,has disorder","245883","2020-10-21","18:00:00",""
"2311436","9.899","0.0013","10.103","0.0016","28.961","0.006","90","","90","","90","","2896.4","0.8","173","2","173","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","9α,11α-Epoxy-5α-cholest-7-ene-3β,5,6α-triol 3,6-diacetate","","- C31 H48 O6 -","- C31 H48 O6 -","- C124 H192 O24 -","4","1","RZ5221","Piccialli, Vincenzo; Tuzi, Angela; Centore, Roberto","Crystal structure of an ep-oxy-sterol: 9α,11α-ep-oxy-5α-cholest-7-ene-3β,5,6α-triol 3,6-di-acetate.","Acta crystallographica. Section E, Crystallographic communications","2017","73","Pt 11","1603","1606","10.1107/S2056989017013391","","","0.71073","MoKα","","0.1117","0.0577","","","0.1041","0.1212","","","","","","1.022","","","","has coordinates,has disorder","245884","2020-10-21","18:00:00",""
"2311437","7.9888","0.0003","12.7596","0.0006","13.2311","0.0005","111.037","0.001","104.075","0.001","99.628","0.002","1171.76","0.09","150","2","150","2","","","","","","","","7","P -1","-P 1","2","","{[1'-(Diphenylphosphino)ferrocenyl]methyl}dimethylammonium chloride monohydrate","","- C25 H29 Cl Fe N O P -","- C25 H29 Cl Fe N O P -","- C50 H58 Cl2 Fe2 N2 O2 P2 -","2","1","IM2484","Zábranský, Martin; Štěpnička, Petr","Crystal structure of {[1'-(di-phenyl-phosphino)ferrocen-yl]meth-yl}di-methyl-ammonium chloride monohydrate.","Acta crystallographica. Section E, Crystallographic communications","2017","73","Pt 10","1539","1541","10.1107/S2056989017013408","","","0.71073","MoKα","","0.0331","0.0281","","","0.071","0.0735","","","","","","1.057","","","","has coordinates","245885","2020-10-21","18:00:00",""
"2311438","8.2456","0.001","13.7471","0.0017","9.6878","0.0012","90","","92.643","0.004","90","","1097","0.2","100","2","100","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","1,2-Bis[(1-methyl-1<i>H</i>-tetrazol-5-yl)sulfanyl]ethane","","- C6 H10 N8 S2 -","- C6 H10 N8 S2 -","- C24 H40 N32 S8 -","4","1","","Argibay-Otero, Saray; Gómez-Paz, Olaya; Carballo, Rosa","A monoclinic polymorph of 1,2-bis-[(1-methyl-1<i>H</i>-tetra-zol-5-yl)sulfan-yl]ethane (BMTTE).","Acta crystallographica. Section E, Crystallographic communications","2017","73","Pt 10","1523","1525","10.1107/S205698901701341X","","","0.71073","MoKα","","0.0232","0.0222","","","0.0565","0.0569","","","","","","1.075","","","","has coordinates","245886","2020-10-21","18:00:00",""
"2311439","12.8997","0.0004","7.5361","0.0003","20.9747","0.0007","90","","102.99","0.0006","90","","1986.84","0.12","173","2","173","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","<i>catena</i>-Poly[[silver(I)-μ-<i>N</i>-(pyridin-3-ylmethyl)pyridine-3-amine-κ^2^<i>N</i>:<i>N</i>'] hexafluoridophosphate acetonitrile disolvate]","","- C15 H17 Ag F6 N5 P -","- C15 H17 Ag F6 N5 P -","- C60 H68 Ag4 F24 N20 P4 -","4","1","","Moon, Suk-Hee; Kang, Youngjin; Park, Ki-Min","Crystal structure of an Ag<sup>I</sup> inter-calation compound: <i>catena</i>-poly[[silver(I)-μ-<i>N</i>-(pyridin-3-ylmeth-yl)pyridin-3-amine-κ<sup>2</sup><i>N</i>:<i>N</i>'] hexa-fluorido-phosphate aceto-nitrile disolvate].","Acta crystallographica. Section E, Crystallographic communications","2017","73","Pt 10","1542","1545","10.1107/S2056989017013421","","","0.71073","MoKα","","0.0431","0.0309","","","0.0707","0.0807","","","","","","1.096","","","","has coordinates,has disorder","245887","2020-10-21","18:00:00",""
"2311440","7.0528","0.0014","13.798","0.003","7.4792","0.0015","90","","93.02","0.03","90","","726.8","0.3","100","2","100","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","Sodium dihydrogen arsenate","","- As H2 Na O4 -","- As H2 Na O4 -","- As8 H16 Na8 O32 -","8","2","HB7706","Ring, Joseph; Lindenthal, Lorenz; Weil, Matthias; Stöger, Berthold","Crystal structure of sodium di-hydrogen arsenate.","Acta crystallographica. Section E, Crystallographic communications","2017","73","Pt 10","1520","1522","10.1107/S2056989017013470","","","0.71073","MoKα","","0.0571","0.0298","","","0.053","0.0588","","","","","","1.035","","","","has coordinates","245888","2020-10-21","18:00:00",""
"2311441","7.5235","0.0013","11.717","0.002","13.644","0.002","66.694","0.004","78.757","0.004","81.374","0.004","1079.9","0.3","100","2","100","2","","","","","","","","6","P -1","-P 1","2","","<i>fac</i>-Tricarbonylchloridobis(4-hydroxypyridine)rhenium(I)‒\ pyridin-4(1<i>H</i>)-one (1/1)","","- C18 H15 Cl N3 O6 Re -","- C18 H15 Cl N3 O6 Re -","- C36 H30 Cl2 N6 O12 Re2 -","2","1","ZL2716","Argibay-Otero, Saray; Carballo, Rosa; Vázquez-López, Ezequiel M","Crystal structure of <i>fac</i>-tri-carbonyl-chlorido-bis-(4-hy-droxy-pyridine)-rhenium(I)-pyridin-4(1<i>H</i>)-one (1/1).","Acta crystallographica. Section E, Crystallographic communications","2017","73","Pt 10","1551","1554","10.1107/S2056989017013512","","","0.71073","MoKα","","0.0303","0.0288","","","0.0755","0.0766","","","","","","1.347","","","","has coordinates","245889","2020-10-21","18:00:00",""
"2311442","11.9402","0.0007","3.7005","0.0002","21.7919","0.0013","90","","121.278","0.002","90","","822.92","0.08","120","1","120","2","","","","","","","","5","P 1 2/c 1","-P 2yc","13","bis(2-pyridone) chloranilic acid","Bis[pyridin-2(1<i>H</i>)-one] 2,5-dichloro-3,6-dihydroxy-1,4-bebzoquinone","","- C16 H12 Cl2 N2 O6 -","- C16 H12 Cl2 N2 O6 -","- C32 H24 Cl4 N4 O12 -","2","0.5","LH5855","Gotoh, Kazuma; Ishida, Hiroyuki","Crystal structures of three hydrogen-bonded 1:2 compounds of chloranilic acid with 2-pyridone, 3-hy-droxy-pyridine and 4-hyroxypyridine.","Acta crystallographica. Section E, Crystallographic communications","2017","73","Pt 10","1546","1550","10.1107/S2056989017013536","","","0.71075","MoKα","","0.0278","0.0271","","","0.0757","0.0763","","","","","","1.056","","","","has coordinates","245890","2020-10-21","18:00:00",""
"2311443","8.3659","0.0006","8.5492","0.0006","11.7087","0.0008","90","","106.968","0.003","90","","800.97","0.1","120","1","120","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","bis(3-hyroxypyridinium) chloranilate","Bis(3-hyroxypyridinium) 2,5-dichloro-3,6-dioxocyclohexa-1,4-diene-1,4-diolate","","- C16 H12 Cl2 N2 O6 -","- C16 H12 Cl2 N2 O6 -","- C32 H24 Cl4 N4 O12 -","2","0.5","LH5855","Gotoh, Kazuma; Ishida, Hiroyuki","Crystal structures of three hydrogen-bonded 1:2 compounds of chloranilic acid with 2-pyridone, 3-hy-droxy-pyridine and 4-hyroxypyridine.","Acta crystallographica. Section E, Crystallographic communications","2017","73","Pt 10","1546","1550","10.1107/S2056989017013536","","","0.71075","MoKα","","0.0294","0.0275","","","0.0738","0.0751","","","","","","1.072","","","","has coordinates","245890","2020-10-21","18:00:00",""
"2311444","5.49136","0.00013","8.2195","0.0004","18.1382","0.0009","102.177","0.003","93.952","0.003","95.316","0.004","793.53","0.06","120","1","120","2","","","","","","","","5","P -1","-P 1","2","bis(4-hyroxypyridinium) chloranilate","Bis(4-hyroxypyridinium) 2,5-dichloro-3,6-dioxocyclohexa-1,4-diene-1,4-diolate","","- C16 H12 Cl2 N2 O6 -","- C16 H12 Cl2 N2 O6 -","- C32 H24 Cl4 N4 O12 -","2","1","LH5855","Gotoh, Kazuma; Ishida, Hiroyuki","Crystal structures of three hydrogen-bonded 1:2 compounds of chloranilic acid with 2-pyridone, 3-hy-droxy-pyridine and 4-hyroxypyridine.","Acta crystallographica. Section E, Crystallographic communications","2017","73","Pt 10","1546","1550","10.1107/S2056989017013536","","","0.71075","MoKα","","0.0399","0.0304","","","0.077","0.0798","","","","","","1.071","","","","has coordinates","245890","2020-10-21","18:00:00",""
"2311445","8.34","0.002","10.657","0.002","9.197","0.002","90","","109.37","0.03","90","","771.2","0.3","293","2","293","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","potassium indium bis(hydrogen arsenate)","Potassium indium bis[hydrogen arsenate(V)]","","- As2 H2 In K O8 -","- As2 H2 In K O8 -","- As8 H8 In4 K4 O32 -","4","0.5","PJ2047","Schwendtner, Karolina; Kolitsch, Uwe","<i>M</i>In(HAsO<sub>4</sub>)<sub>2</sub> (<i>M</i> = K, Rb, Cs): three new hydrogen-arsenates adopting two different structure types.","Acta crystallographica. Section E, Crystallographic communications","2017","73","Pt 10","1580","1586","10.1107/S205698901701355X","","","0.71073","MoKα","","0.0227","0.0194","","","0.0452","0.046","","","","","","1.094","","","","has coordinates","245891","2020-10-21","18:00:00",""
"2311446","8.512","0.001","8.512","0.001","56.434","0.011","90","","90","","120","","3541.1","0.9","293","2","293","2","","","","","","","","5","R -3 c :H","-R 3 2""c","167","rubidium indium bis(hydrogen arsenate)","Rubidium indium bis[hydrogen arsenate(V)]","","- As2 H2 In O8 Rb -","- As2 H2 In O8 Rb0.999733 -","- As36 H36 In18 O144 Rb17.9952 -","18","0.5","","Schwendtner, Karolina; Kolitsch, Uwe","<i>M</i>In(HAsO<sub>4</sub>)<sub>2</sub> (<i>M</i> = K, Rb, Cs): three new hydrogen-arsenates adopting two different structure types.","Acta crystallographica. Section E, Crystallographic communications","2017","73","Pt 10","1580","1586","10.1107/S205698901701355X","","","0.71073","MoKα","","0.0251","0.0184","","","0.039","0.041","","","","","","1.116","","","","has coordinates","245891","2020-10-21","18:00:00",""
"2311447","8.629","0.001","8.629","0.001","56.986","0.011","90","","90","","120","","3674.7","0.9","293","2","293","2","","","","","","","","5","R -3 c :H","-R 3 2""c","167","caesium indium bis(hydrogen arsenate)","Caesium indium bis[hydrogen arsenate(V)]","","- As2 Cs H2 In O8 -","- As2 Cs H2 In O8 -","- As36 Cs18 H36 In18 O144 -","18","0.5","","Schwendtner, Karolina; Kolitsch, Uwe","<i>M</i>In(HAsO<sub>4</sub>)<sub>2</sub> (<i>M</i> = K, Rb, Cs): three new hydrogen-arsenates adopting two different structure types.","Acta crystallographica. Section E, Crystallographic communications","2017","73","Pt 10","1580","1586","10.1107/S205698901701355X","","","0.71073","MoKα","","0.0299","0.0217","","","0.0488","0.052","","","","","","1.073","","","","has coordinates","245891","2020-10-21","18:00:00",""
"2311448","8.2959","0.0003","10.3169","0.0004","27.7884","0.0009","92.969","0.001","98.241","0.001","109.62","0.001","2204.36","0.14","100","2","100","2","","","","","","","","6","P -1","-P 1","2","","(Acetonitrile-κ<i>N</i>)aqua[<i>N</i>,<i>N</i>'-bis(pyridin-2-ylmethyl)ethane-1,2-diamine-κ^4^<i>N</i>,<i>N</i>',<i>N</i>'',<i>N</i>''']zinc(II) perchlorate","","- C16 H23 Cl2 N5 O9 Zn -","- C16 H23 Cl2 N5 O9 Zn -","- C64 H92 Cl8 N20 O36 Zn4 -","4","2","IM2479","Okeke, Ugochukwu; Gultneh, Yilma; Butcher, Ray J.","(Aceto-nitrile-κ<i>N</i>)aqua-[<i>N</i>,<i>N</i>'-bis-(pyridin-2-yl-methyl)ethane-1,2-di-amine-κ<sup>4</sup><i>N</i>,<i>N</i>',<i>N</i>'',<i>N</i>''']zinc(II) perchlorate.","Acta crystallographica. Section E, Crystallographic communications","2017","73","Pt 10","1568","1571","10.1107/S2056989017013603","","","0.71073","MoKα","","0.0535","0.0415","","","0.1022","0.1073","","","","","","1.053","","","","has coordinates,has disorder","245892","2020-10-21","18:00:00",""
"2311449","11.0838","0.0004","18.0949","0.0007","10.661","0.0004","90","","101.474","0.002","90","","2095.44","0.14","150","2","150","","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","μ~2~-Chlorido-dichlorido(μ~2~-2-{[2-(dimethylamino)ethyl]iminomethyl}phenolato)(<i>N</i>,<i>N</i>-dimethylethylenediamine)dicopper(II) 0.11-hydrate","","- C15 H27.22 Cl3 Cu2 N4 O1.11 -","- C15 H27 Cl3 Cu2 N4 O1.108 -","- C60 H108 Cl12 Cu8 N16 O4.432 -","4","1","WM5417","Ferraz de Paiva, Raphael Enoque; Nakahata, Douglas Hideki; de Carvalho, Marcos Alberto; Rodrigues Goulart Bergamini, Fernando; Corbi, Pedro Paulo","<i>N</i>,<i>N</i>',<i>N</i>'' <i>versus N</i>,<i>N</i>',<i>O</i> imine-containing coordination motifs: ligand-directed synthesis of mononuclear and binuclear Cu<sup>II</sup> compounds.","Acta crystallographica. Section E, Crystallographic communications","2017","73","Pt 10","1563","1567","10.1107/S2056989017013652","","","1.54178","CuKα","","0.0256","0.022","","","0.0545","0.0562","","","","","","1.03","","","","has coordinates","245893","2020-10-21","18:00:00",""
"2311450","6.9667","0.0005","24.735","0.002","7.9294","0.0006","90","","103.693","0.004","90","","1327.57","0.18","150","2","150","","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","Dichlorido[<i>N</i>,<i>N</i>-dimethyl-<i>N</i>'-(pyridin-2-ylmethylidene)ethane-1,2-diamine]copper(II) monohydrate","","- C10 H17 Cl2 Cu N3 O -","- C10 H17 Cl2 Cu N3 O -","- C40 H68 Cl8 Cu4 N12 O4 -","4","1","WM5417","Ferraz de Paiva, Raphael Enoque; Nakahata, Douglas Hideki; de Carvalho, Marcos Alberto; Rodrigues Goulart Bergamini, Fernando; Corbi, Pedro Paulo","<i>N</i>,<i>N</i>',<i>N</i>'' <i>versus N</i>,<i>N</i>',<i>O</i> imine-containing coordination motifs: ligand-directed synthesis of mononuclear and binuclear Cu<sup>II</sup> compounds.","Acta crystallographica. Section E, Crystallographic communications","2017","73","Pt 10","1563","1567","10.1107/S2056989017013652","","","1.54178","CuKα","","0.0418","0.0399","","","0.1067","0.1082","","","","","","1.101","","","","has coordinates","245893","2020-10-21","18:00:00",""
"2311451","10.1437","0.0008","10.1437","0.0008","21.4664","0.0015","90","","90","","90","","2208.8","0.3","296","2","296.15","","","","","","","","","6","P 43","P 4cw","78","","Poly[diaquabis(μ~5~-benzene-1,3-dicarboxylato)(<i>N</i>,<i>N</i>-dimethylformamide)cadmium(II)disodium(I)]","","- C19 H19 Cd N Na2 O11 -","- C19 H19 Cd N Na2 O11 -","- C76 H76 Cd4 N4 Na8 O44 -","4","1","PJ2046","Sangsawang, Matimon; Chainok, Kittipong; Wannarit, Nanthawat","Crystal structure of poly[di-aqua-bis-(μ<sub>5</sub>-benzene-1,3-di-carboxyl-ato)(<i>N</i>,<i>N</i>-di-methyl-formamide)-cadmium(II)disodium(I)].","Acta crystallographica. Section E, Crystallographic communications","2017","73","Pt 11","1599","1602","10.1107/S2056989017013871","","","0.71073","MoKα","","0.0321","0.0277","","","0.0661","0.0677","","","","","","1.031","","","","has coordinates,has disorder","245894","2020-10-21","18:00:00",""
"2311452","22.432","0.003","8.1656","0.0012","15.036","0.002","90","","98.636","0.003","90","","2722.9","0.7","298","2","298","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","<i>catena</i>-Poly[[silver(I)-μ~3~-bis(pyridin-3-ylmethyl)sulfane-κ^3^<i>N</i>:<i>N</i>':<i>S</i>] nitrate]","","- C12 H12 Ag N3 O3 S -","- C12 H12 Ag N3 O3 S -","- C96 H96 Ag8 N24 O24 S8 -","8","1","","Moon, Suk-Hee; Kang, Youngjin; Park, Ki-Min","Crystal structure of a twisted-ribbon type double-stranded Ag<sup>I</sup> coordination polymer: <i>catena</i>-poly[[silver(I)-μ<sub>3</sub>-bis-(pyridin-3-ylmeth-yl)sulfane-κ<sup>3</sup><i>N</i>:<i>N</i>':<i>S</i>] nitrate].","Acta crystallographica. Section E, Crystallographic communications","2017","73","Pt 10","1587","1589","10.1107/S2056989017013925","","","0.71073","MoKα","","0.0811","0.0436","","","0.0935","0.1087","","","","","","0.972","","","","has coordinates,has disorder","245895","2020-10-21","18:00:00",""
"2311453","7.1755","0.0005","10.7013","0.0008","16.2586","0.0011","86.072","0.003","78.868","0.002","73.222","0.003","1172.71","0.15","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","(<i>E</i>)-7-[(4-Nitrophenyl)diazenyl]-3a-(<i>p</i>-tolyl)-2,3,3a,4-tetrahydro-1<i>H</i>-benzo[<i>d</i>]pyrrolo[1,2-<i>a</i>]imidazol-1-one 0.58-dimethyl sulfoxide 0.42-acetonitrile solvate","","- C25 H23.75 N5.41 O3.59 S0.59 -","- C25 H23.755 N5.415 O3.585 S0.585 -","- C50 H47.51 N10.83 O7.17 S1.17 -","2","1","YK2109","Grinev, Vyacheslav S.; Babkina, Natalya V.; Yegorova, Alevtina Yu","(<i>E</i>)-7-[(4-Nitro-phen-yl)diazen-yl]-3a-(<i>p</i>-tol-yl)-2,3,3a,4-tetra-hydro-1<i>H</i>-benzo[<i>d</i>]pyrrolo-[1,2-<i>a</i>]imidazol-1-one 0.58-dimethyl sulfoxide 0.42-aceto-nitrile solvate: crystal structure, Hirshfeld analysis and DFT estimation of the energy of inter-molecular inter-actions.","Acta crystallographica. Section E, Crystallographic communications","2017","73","Pt 10","1590","1594","10.1107/S2056989017013937","","","0.71073","MoKα","","0.0716","0.0495","","","0.121","0.1344","","","","","","1.002","","","","has coordinates,has disorder","245896","2020-10-21","18:00:00",""
"2311454","8.1346","0.0003","8.2092","0.0003","17.234","0.0006","92.4728","0.0012","91.3245","0.0013","107.041","0.0012","1098.54","0.07","296","2","296","2","","","","","","","","4","P -1","-P 1","2","Bis(2-amino-4-methoxy-6-methylpyrimidinium) isophthalate","Bis(2-amino-4-methoxy-6-methylpyrimidinium) benzene-1,3-dicarboxylate","","- C20 H24 N6 O6 -","- C20 H24 N6 O6 -","- C40 H48 N12 O12 -","2","1","ZS2389","Jeevaraj, Muthaiah; Sivajeyanthi, Palaniyappan; Edison, Bellarmin; Thanigaimani, Kaliyaperumal; Balasubramani, Kasthuri; Razak, Ibrahim Abdul","Supra-molecular patterns and Hirshfeld surface analysis in the crystal structure of bis-(2-amino-4-meth-oxy-6-methyl-pyrimidinium) isophthalate.","Acta crystallographica. Section E, Crystallographic communications","2017","73","Pt 10","1595","1598","10.1107/S2056989017013950","","","0.71073","MoKα","","0.0666","0.0471","","","0.129","0.1506","","","","","","1.093","","","","has coordinates","245897","2020-10-21","18:00:00",""
"2311455","7.942","0.002","9.453","0.003","10.226","0.002","67.706","0.015","72.228","0.016","86.41","0.02","675.2","0.3","93","","93","","","","","","","","","3","P -1","-P 1","2","","Diethyl 2-(3-oxo-1,3-dihydro-2-benzofuran-1-ylidene)propanedioate","","- C15 H14 O6 -","- C15 H14 O6 -","- C30 H28 O12 -","2","1","HB7700","Tyumentsev, Mikhail S.; Foreman, Mark R StJ; Steenari, Britt-Marie; Slawin, Alexandra M. Z.","Crystal structure and identification of resonance forms of diethyl 2-(3-oxoiso-1,3-di-hydro-benzo-furan-1-yl-idene)malonate.","Acta crystallographica. Section E, Crystallographic communications","2017","73","Pt 10","1576","1579","10.1107/S2056989017013962","","","0.71075","MoKα","","0.0297","0.0279","","","0.0762","0.0776","","","","","","1.072","","","","has coordinates","245898","2020-10-21","18:00:00",""
"2311456","8.5797","0.0007","14.745","0.0013","16.772","0.0014","90","","90","","90","","2121.8","0.3","100","2","100","2","","","","","","","","3","P n a 21","P 2c -2n","33","","3',8-Dibenzylidene-4a,5,6,7,8,8a-hexahydro-2'<i>H</i>-spiro[chromene-2,1'-cyclohexan]-2'-one","","- C28 H28 O2 -","- C28 H28 O2 -","- C112 H112 O8 -","4","1","RK2438","Anis'kov, Alexander; Grinev, Vyacheslav; Klochkova, Irina","Crystal structure and features of 3',8-di-benzyl-idene-4a,5,6,7,8,8a-hexa-hydro-2'<i>H</i>-spiro-[chromene-2,1'-cyclo-hexa-n]-2'-one.","Acta crystallographica. Section E, Crystallographic communications","2017","73","Pt 11","1622","1625","10.1107/S2056989017014165","","","0.71073","MoKα","","0.0763","0.0557","","","0.1196","0.1319","","","","","","1.047","","","","has coordinates","245899","2020-10-21","18:00:00",""
"2311457","21.292","0.003","10.1837","0.0012","24.867","0.004","90","","102.668","0.005","90","","5260.7","1.3","200","2","200","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","Bis(acetato-κ<i>O</i>){5,6-dimethyl-2-(pyridin-2-yl)-1-[(pyridin-2-yl)methyl]-\ 1<i>H</i>-benzimidazole-κ^2^<i>N</i>^2^,<i>N</i>^3^}copper(II) acetonitrile monosolvate","","- C26 H27 Cu N5 O4 -","- C26 H27 Cu N5 O4 -","- C208 H216 Cu8 N40 O32 -","8","1","ZL2717","Geiger, David K.; DeStefano, Matthew R.; Lewis, Robert A.","Structural characterization of two solvates of a luminescent copper(II) bis-(pyridine)-substituted benzimidazole complex.","Acta crystallographica. Section E, Crystallographic communications","2017","73","Pt 11","1616","1621","10.1107/S2056989017014232","","","0.71073","MoKα","","0.0809","0.0594","","","0.1617","0.1778","","","","","","1.016","","","","has coordinates","245900","2020-10-21","18:00:00",""
"2311458","11.2595","0.0011","14.013","0.0015","16.5004","0.0018","81.873","0.004","77.126","0.004","80.348","0.004","2487.4","0.5","200","2","200","2","","","","","","","","5","P -1","-P 1","2","","Bis(acetato-κ<i>O</i>){5,6-dimethyl-2-(pyridin-2-yl)-1-[pyridin-2-yl)methyl]-\ 1<i>H</i>-benzimidazole-κ^2^<i>N</i>^2^,<i>N</i>^3^}copper(II) ethanol hemisolvate","","- C50 H54 Cu2 N8 O9 -","- C50 H54 Cu2 N8 O9 -","- C100 H108 Cu4 N16 O18 -","2","1","","Geiger, David K.; DeStefano, Matthew R.; Lewis, Robert A.","Structural characterization of two solvates of a luminescent copper(II) bis-(pyridine)-substituted benzimidazole complex.","Acta crystallographica. Section E, Crystallographic communications","2017","73","Pt 11","1616","1621","10.1107/S2056989017014232","","","0.71073","MoKα","","0.0681","0.0447","","","0.1098","0.1213","","","","","","1.036","","","","has coordinates,has disorder","245900","2020-10-21","18:00:00",""
"2311459","14.2201","0.0012","9.9787","0.0007","19.4205","0.0013","90","","90.2","0.002","90","","2755.7","0.4","100","2","100","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","Di-μ-iodido-bis({2-[(benzylamino-κ<i>N</i>)methyl]phenyl-κ<i>C</i>^1^}palladium(II))","","- C28 H28 I2 N2 Pd2 -","- C28 H28 I2 N2 Pd2 -","- C112 H112 I8 N8 Pd8 -","4","1","WM5411","Bautista, Delia; Benitez-Benitez, Sergio J","Synthesis and crystal structure of [Pd{C<sub>6</sub>H<sub>4</sub>(CH<sub>2</sub>NHCH<sub>2</sub>Ph)-2-κ<sup>2</sup><i>C</i>,<i>N</i>}(μ-I)]<sub>2</sub>.","Acta crystallographica. Section E, Crystallographic communications","2017","73","Pt 11","1612","1615","10.1107/S2056989017014281","","","0.71073","MoKα","","0.0366","0.031","","","0.0796","0.0836","","","","","","1.028","","","","has coordinates","245901","2020-10-21","18:00:00",""
"2311460","9.0982","0.0002","9.9556","0.0003","10.5071","0.0003","66.772","0.001","74.572","0.001","77.706","0.001","836.76","0.04","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","(<i>Z</i>)-2-[(<i>Z</i>)-3-Methyl-2-({(<i>E</i>)-1-[(<i>R</i>*)-4-methylcyclohex-3-en-1-yl]ethylidene}hydrazinylidene)-4-oxothiazolidin-5-ylidene]acetate","","- C16 H21 N3 O3 S -","- C16 H21 N3 O3 S -","- C32 H42 N6 O6 S2 -","2","1","","Fawzi, Mourad; Auhmani, Aziz; Ait Itto, Moulay Youssef; Riahi, Abdelkhalek; Chevreux, Sylviane; Ketatni, El Mostafa","Crystal structure of methyl (<i>Z</i>)-2-[(<i>Z</i>)-3-methyl-2-({(<i>E</i>)-1-[(<i>R</i>*)-4-methyl-cyclo-hex-3-en-1-yl]ethyl-idene}hydrazinyl-idene)-4-oxo-thia-zolidin-5-yl-idene]acetate.","Acta crystallographica. Section E, Crystallographic communications","2017","73","Pt 11","1626","1629","10.1107/S2056989017014311","","","1.54178","CuKα","","0.0397","0.0376","","","0.1","0.1017","","","","","","1.06","","","","has coordinates","245902","2020-10-21","18:00:00",""
"2311461","33.6032","0.0008","6.0235","0.0001","28.0229","0.0007","90","","121.007","0.001","90","","4861.57","0.19","173","2","173","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","Ammonium hexamethylenetetraminium bis(2-chloro-4-nitro-benzoate)","","- C20 H23 Cl2 N7 O8 -","- C20 H23 Cl2 N7 O8 -","- C160 H184 Cl16 N56 O64 -","8","1","","Lemmerer, Andreas; Motlaung, Xolani","Stoichiometric and polymorphic salts of hexa-methyl-ene-tetra-minium and 2-chloro-4-nitro-benzoate.","Acta crystallographica. Section E, Crystallographic communications","2017","73","Pt 11","1630","1635","10.1107/S2056989017014359","","","0.71073","MoKα","","0.0604","0.0385","","","0.084","0.0926","","","","","","0.951","","","","has coordinates","245903","2020-10-21","18:00:00",""
"2311462","8.2777","0.0002","19.7942","0.0005","13.5331","0.0004","90","","90","","90","","2217.4","0.1","173","2","173","2","","","","","","","","5","P n m a","-P 2ac 2n","62","","Hexamethylenetetraminium hydrogen bis(2-chloro-4-nitro-benzoate)","","- C20 H20 Cl2 N6 O8 -","- C20 H20 Cl2 N6 O8 -","- C80 H80 Cl8 N24 O32 -","4","0.5","","Lemmerer, Andreas; Motlaung, Xolani","Stoichiometric and polymorphic salts of hexa-methyl-ene-tetra-minium and 2-chloro-4-nitro-benzoate.","Acta crystallographica. Section E, Crystallographic communications","2017","73","Pt 11","1630","1635","10.1107/S2056989017014359","","","0.71073","MoKα","","0.0389","0.0305","","","0.0796","0.0841","","","","","","1.057","","","","has coordinates","245903","2020-10-21","18:00:00",""
"2311463","5.9049","0.0001","21.933","0.0004","12.0194","0.0002","90","","103.445","0.001","90","","1514","0.05","173","2","173","2","","","","","","","","5","C 1 c 1","C -2yc","9","","Hexamethylenetetraminium 2-chloro-4-nitro-benzoate","","- C13 H16 Cl N5 O4 -","- C13 H16 Cl N5 O4 -","- C52 H64 Cl4 N20 O16 -","4","1","","Lemmerer, Andreas; Motlaung, Xolani","Stoichiometric and polymorphic salts of hexa-methyl-ene-tetra-minium and 2-chloro-4-nitro-benzoate.","Acta crystallographica. Section E, Crystallographic communications","2017","73","Pt 11","1630","1635","10.1107/S2056989017014359","","","0.71073","MoKα","","0.0269","0.0256","","","0.0651","0.0659","","","","","","1.067","","","","has coordinates","245903","2020-10-21","18:00:00",""
"2311464","12.0663","0.0002","19.5741","0.0004","6.6473","0.0001","90","","105.82","0.001","90","","1510.54","0.05","173","2","173","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","Hexamethylenetetraminium 2-chloro-4-nitro-benzoate","","- C13 H16 Cl N5 O4 -","- C13 H16 Cl N5 O4 -","- C52 H64 Cl4 N20 O16 -","4","1","","Lemmerer, Andreas; Motlaung, Xolani","Stoichiometric and polymorphic salts of hexa-methyl-ene-tetra-minium and 2-chloro-4-nitro-benzoate.","Acta crystallographica. Section E, Crystallographic communications","2017","73","Pt 11","1630","1635","10.1107/S2056989017014359","","","0.71073","MoKα","","0.0478","0.0392","","","0.1045","0.1093","","","","","","1.052","","","","has coordinates","245903","2020-10-21","18:00:00",""
"2311465","9.3594","0.0007","10.1143","0.0007","15.807","0.0012","106.704","0.005","92.432","0.007","106.777","0.005","1359.31","0.18","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","(<i>E</i>)-<i>N</i>'-(3-Cyanobenzylidene)-<i>N</i>-methyl-2-(thiophen-2-yl)acetohydrazide","","- C15 H13 N3 O S -","- C15 H13 N3 O S -","- C60 H52 N12 O4 S4 -","4","2","VM2205","Cardoso, Laura N. F.; Noguiera, Thais C. M.; Kaiser, Carlos R.; Wardell, James L.; de Souza, Marcus V. N.; Harrison, William T. A.","Crystal structures and Hirshfeld surfaces of differently substituted (<i>E</i>)-<i>N</i>'-benzyl-idene-<i>N</i>-methyl-2-(thio-phen-2-yl)acetohydrazides.","Acta crystallographica. Section E, Crystallographic communications","2017","73","Pt 11","1636","1641","10.1107/S2056989017014384","","","0.71075","MoKα","","0.0477","0.0384","","","0.0989","0.1037","","","","","","1.043","","","","has coordinates","245904","2020-10-21","18:00:00",""
"2311466","7.2148","0.0005","8.8307","0.0005","24.112","0.0017","80.025","0.006","87.601","0.007","76.097","0.006","1468.67","0.17","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","(<i>E</i>)-<i>N</i>'-(4-Methoxybenzylidene)-<i>N</i>-methyl-2-(thiophen-2-yl)acetohydrazide","","- C15 H16 N2 O2 S -","- C15 H16 N2 O2 S -","- C60 H64 N8 O8 S4 -","4","2","VM2205","Cardoso, Laura N. F.; Noguiera, Thais C. M.; Kaiser, Carlos R.; Wardell, James L.; de Souza, Marcus V. N.; Harrison, William T. A.","Crystal structures and Hirshfeld surfaces of differently substituted (<i>E</i>)-<i>N</i>'-benzyl-idene-<i>N</i>-methyl-2-(thio-phen-2-yl)acetohydrazides.","Acta crystallographica. Section E, Crystallographic communications","2017","73","Pt 11","1636","1641","10.1107/S2056989017014384","","","0.71073","MoKα","","0.0516","0.0443","","","0.1216","0.1266","","","","","","1.059","","","","has coordinates,has disorder","245904","2020-10-21","18:00:00",""
"2311467","22.418","0.005","11.501","0.002","25.094","0.005","90","","105.5","0.03","90","","6235","2","100","2","100","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","(4,4'-Bipyridyl-κ<i>N</i>)bis[<i>N</i>-(2-hydroxyethyl)-<i>N</i>-isopropyldithiocarbamato-κ^2^<i>S</i>,<i>S</i>']zinc(II)‒4,4'-bipyridyl (2/1)","","- C27 H36 N5 O2 S4 Zn -","- C27 H36 N5 O2 S4 Zn -","- C216 H288 N40 O16 S32 Zn8 -","8","1","HB7712","Tan, Yee Seng; Tiekink, Edward R. T.","Crystal structure of (4,4'-bipyridyl-κ<i>N</i>)bis-[<i>N</i>-(2-hydroxy-ethyl)-<i>N</i>-iso-propyl-dithio-carbamato-κ<sup>2</sup><i>S</i>,<i>S</i>']zinc(II)-4,4'-bipyridyl (2/1) and its isostructural cadmium(II) analogue.","Acta crystallographica. Section E, Crystallographic communications","2017","73","Pt 11","1642","1646","10.1107/S2056989017014396","","","0.71073","MoKα","","0.0773","0.0409","","","0.0812","0.0964","","","","","","0.996","","","","has coordinates","245905","2020-10-21","18:00:00",""
"2311468","22.7028","0.0012","11.595","0.0006","24.8196","0.0013","90","","103.385","0.001","90","","6356","0.6","100","2","100","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","(4,4'-Bipyridyl-κ<i>N</i>)bis(<i>N</i>-2-hydroxyethyl-<i>N</i>-isopropyldithiocarbamato-κ^2^<i>S</i>,<i>S</i>')cadmium(II)‒4,4'-bipyridyl (2/1)","","- C27 H36 Cd N5 O2 S4 -","- C27 H36 Cd N5 O2 S4 -","- C216 H288 Cd8 N40 O16 S32 -","8","1","HB7712","Tan, Yee Seng; Tiekink, Edward R. T.","Crystal structure of (4,4'-bipyridyl-κ<i>N</i>)bis-[<i>N</i>-(2-hydroxy-ethyl)-<i>N</i>-iso-propyl-dithio-carbamato-κ<sup>2</sup><i>S</i>,<i>S</i>']zinc(II)-4,4'-bipyridyl (2/1) and its isostructural cadmium(II) analogue.","Acta crystallographica. Section E, Crystallographic communications","2017","73","Pt 11","1642","1646","10.1107/S2056989017014396","","","0.71073","MoKα","","0.0217","0.0186","","","0.0474","0.0492","","","","","","0.993","","","","has coordinates","245905","2020-10-21","18:00:00",""
"2311469","21.802","0.015","4.597","0.003","12.742","0.009","90","","97.598","0.011","90","","1265.8","1.5","150","2","150","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","Benzyl(benzylidene)azane oxide peroxosolvate","(<i>Z</i>)-<i>N</i>-Benzylidene-1-phenylmethanamine oxide hydrogen peroxide monosolvate","","- C14 H15 N O3 -","- C14 H15 N O3 -","- C56 H60 N4 O12 -","4","1","ZS2391","Churakov, Andrei V.; Prikhodchenko, Petr V.; Medvedev, Alexander G.; Mikhaylov, Alexey A.","Crystal structure of (<i>Z</i>)-<i>N</i>-benzyl-idene-1-phenyl-methanamine oxide hydrogen peroxide monosolvate.","Acta crystallographica. Section E, Crystallographic communications","2017","73","Pt 11","1666","1669","10.1107/S2056989017014499","","","0.71073","MoKα","","0.1624","0.0766","","","0.1867","0.2182","","","","","","1.046","","","","has coordinates","245906","2020-10-21","18:00:00",""
"2311470","14.5323","0.0004","23.3731","0.0006","19.1883","0.0004","90","","93.653","0.001","90","","6504.3","0.3","100","2","100","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","[μ~2~-Bis(diphenylphosphanyl)hexane]bis[undecacarbonyl-<i>triangulo</i>-triruthenium(3 <i>Ru</i>—<i>Ru</i>)] hexane monosolvate","","- C58 H46 O22 P2 Ru6 -","- C58 H46 O22 P2 Ru6 -","- C232 H184 O88 P8 Ru24 -","4","1","HB7713","Shawkataly, Omar Bin; Sirat, Siti Syaida; Jotani, Mukesh M.; Tiekink, Edward R. T.","[μ<sub>2</sub>-Bis(di-phenyl-phosphan-yl)hexa-ne]bis-[undeca-carbonyl-<i>triangulo</i>-triruthenium(3 <i>Ru</i>-<i>Ru</i>)] hexane monosolvate: crystal structure and Hirshfeld surface analysis.","Acta crystallographica. Section E, Crystallographic communications","2017","73","Pt 11","1652","1657","10.1107/S2056989017014517","","","0.71073","MoKα","","0.0679","0.0431","","","0.0862","0.0969","","","","","","1.014","","","","has coordinates,has disorder","245907","2020-10-21","18:00:00",""
"2311471","7.475","0.0007","7.7067","0.0006","14.6585","0.0009","104.696","0.006","92.637","0.006","94.548","0.007","812.33","0.11","100","2","100","2","","","","","","","","4","P 1","P 1","1","","","","- C20 H22 N2 O2 -","- C20 H22 N2 O2 -","- C40 H44 N4 O4 -","2","2","DX2001","Yahyazadeh, Mahdi; Jerz, Gerold; Selmar, Dirk; Winterhalter, Peter; Jones, Peter G.","Crystal structure of akuammicine, an indole alkaloid from <i>Catharanthus roseus</i>.","Acta crystallographica. Section E, Crystallographic communications","2017","73","Pt 11","1658","1661","10.1107/S2056989017014529","","","1.54184","CuKα","","0.0465","0.0408","","","0.0957","0.1008","","","","","","1.04","","","","has coordinates","245908","2020-10-21","18:00:00",""
"2311472","6.1368","0.0004","13.9799","0.0009","11.4609","0.0007","90","","100.193","0.002","90","","967.73","0.11","100","2","100","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","3-(Benzothiazol-2-yl)thiophene","","- C11 H7 N S2 -","- C11 H7 N S2 -","- C44 H28 N4 S8 -","4","1","TX2001","Nguyen Ngoc, Linh; Vu Quoc, Trung; Duong Quoc, Hoan; Vu Quoc, Manh; Truong Minh, Luong; Thang Pham, Chien; Van Meervelt, Luc","Green synthesis and crystal structure of 3-(benzo-thia-zol-2-yl)thio-phene.","Acta crystallographica. Section E, Crystallographic communications","2017","73","Pt 11","1647","1651","10.1107/S2056989017014530","","","0.71073","MoKα","","0.0788","0.0762","","","0.1702","0.1715","","","","","","1.222","","","","has coordinates,has disorder","245909","2020-10-21","18:00:00",""
"2311473","15.7473","0.0014","7.3042","0.0005","22.7257","0.0019","90","","90","","90","","2613.9","0.4","293","2","293","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","1-{(1<i>E</i>)-[(4-Hydroxyphenyl)iminio]methyl}naphthalen-2-olate","","- C17 H13 N O2 -","- C17 H13 N O2 -","- C136 H104 N8 O16 -","8","1","EX2001","Devika, Bhai R.; Girija, C. R.; Shalini, Suresh; Jotani, Mukesh M.; Tiekink, Edward R. T.","Zwitterionic 1-{(1<i>E</i>)-[(4-hy-droxy-phen-yl)iminio]meth-yl}naphthalen-2-olate: crystal structure and Hirshfeld surface analysis.","Acta crystallographica. Section E, Crystallographic communications","2017","73","Pt 11","1674","1678","10.1107/S205698901701458X","","","0.71073","MoKα","","0.0704","0.0407","","","0.0968","0.115","","","","","","1.043","","","","has coordinates","245910","2020-10-21","18:00:00",""
"2311474","10.319","0.0003","20.6009","0.0007","15.8756","0.0005","90","","91.64","0.003","90","","3373.46","0.18","100","1","100","1","","","","","","","","4","I 1 a 1","I -2ya","9","4-(4-Hydroxyphenyl)-2,2,4-trimethyl-7,8-benzothiachroman","4-(1,3,3-Trimethyl-2,3-dihydro-1<i>H</i>-4-thiaphenanthren-1-yl)phenol","","- C22 H22 O S -","- C22 H22 O S -","- C176 H176 O8 S8 -","8","2","HB7711","Frampton, Christopher S.; McKendrick, Joseph J.; MacNicol, David D.","4-(4-Hy-droxy-phenyl)-2,2,4-trimethyl-7,8-benzo-thia-chroman, a fused-ring counterpart of <i>thia</i>-Dianin's compound.","Acta crystallographica. Section E, Crystallographic communications","2017","73","Pt 11","1662","1665","10.1107/S2056989017014608","","","1.54184","CuKα","","0.0386","0.0369","","","0.102","0.103","","","","","","1.019","","","","has coordinates","245911","2020-10-21","18:00:00",""
"2311475","9.8233","0.0009","12.4719","0.0012","16.4432","0.0016","90","","100.184","0.007","90","","1982.8","0.3","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","Diaqua(1<i>H</i>-imidazole-κ<i>N</i>^3^)(nitrato-κ^2^<i>O</i>,<i>O</i>')bis(4-oxopent-2-en-2-olato-κ^2^<i>O</i>,<i>O</i>')lanthanum(III)","","- C13 H22 La N3 O9 -","- C13 H22 La N3 O9 -","- C52 H88 La4 N12 O36 -","4","1","VN2131","Koizumi, Atsuya; Hasegawa, Takuya; Itadani, Atsushi; Toda, Kenji; Zhu, Taoyun; Sato, Mineo","A new lanthanum(III) complex containing acetyl-acetone and 1<i>H</i>-imidazole.","Acta crystallographica. Section E, Crystallographic communications","2017","73","Pt 11","1739","1742","10.1107/S205698901701461X","","","0.71073","MoKα","","0.0173","0.016","","","0.0396","0.0402","","","","","","1.069","","","","has coordinates","245912","2020-10-21","18:00:00",""
"2311476","6.2464","0.0003","13.5674","0.0006","17.4584","0.0008","90","","100.128","0.001","90","","1456.5","0.12","150","2","150","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","(1<i>R</i>,5<i>S</i>)-<i>endo</i>-(8-Methyl-8-azoniabicyclo[3.2.1]oct-\ 3-yl)ammonium aquatrichloridonitratocopper(II)","","- C8 H20 Cl3 Cu N3 O4 -","- C8 H20 Cl3 Cu N3 O4 -","- C32 H80 Cl12 Cu4 N12 O16 -","4","1","CQ2021","Britvin, Sergey N.; Rumyantsev, Andrey M.","Crystal structure of (1<i>R</i>,5<i>S</i>)-<i>endo</i>-(8-methyl-8-azoniabi-cyclo-[3.2.1]oct-3-yl)ammonium aqua-tri-chlorido-nitratocopper(II).","Acta crystallographica. Section E, Crystallographic communications","2017","73","Pt 11","1712","1715","10.1107/S2056989017014633","","","0.71073","MoKα","","0.0189","0.0179","","","0.0487","0.0492","","","","","","1.052","","","","has coordinates","245913","2020-10-21","18:00:00",""
"2311477","8.3515","0.0009","10.5778","0.0009","13.673","0.001","107.609","0.007","98.954","0.008","106.505","0.008","1064.57","0.19","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","(<i>E</i>)-4-Methyl-<i>N</i>-{2-[2-(4-nitrobenzylidene)hydrazin-1-yl]-2-oxoethyl}benzenesulfonamide <i>N</i>,<i>N</i>-dimethylformamide monosolvate","","- C19 H23 N5 O6 S -","- C19 H23 N5 O6 S -","- C38 H46 N10 O12 S2 -","2","1","RZ5222","Purandara, H.; Foro, Sabine; Thimme Gowda, B.","Crystal structure of (<i>E</i>)-4-methyl-<i>N</i>-{2-[2-(4-nitro-benzyl-idene)hydrazin-1-yl]-2-oxoeth-yl}benzene-sulfonamide <i>N</i>,<i>N</i>-di-methyl-formamide monosolvate.","Acta crystallographica. Section E, Crystallographic communications","2017","73","Pt 11","1683","1686","10.1107/S2056989017014669","","","0.71073","MoKα","","0.0495","0.0389","","","0.1014","0.1079","","","","","","1.038","","","","has coordinates","245914","2020-10-21","18:00:00",""
"2311478","16.08","0.002","7.9997","0.0012","14.308","0.002","90","","114.094","0.002","90","","1680.2","0.4","125","2","125","2","","","","","","","","3","C 1 2/c 1","-C 2yc","15","","2,4,6-Trimethylbenzoic anhydride","","- C20 H22 O3 -","- C20 H22 O3 -","- C80 H88 O12 -","4","0.5","HB7710","Land, Michael A.; Robertson, Katherine N.; Clyburne, Jason A. C.","Crystal structure of 2,4,6-tri-methyl-benzoic anhydride.","Acta crystallographica. Section E, Crystallographic communications","2017","73","Pt 11","1735","1738","10.1107/S2056989017014670","","","0.71073","MoKα","","0.042","0.0373","","","0.1026","0.1069","","","","","","1.052","","","","has coordinates","245915","2020-10-21","18:00:00",""
"2311479","9.51872","0.00015","10.88545","0.00017","27.8353","0.0005","90","","93.8563","0.0015","90","","2877.64","0.08","123","2","123","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","{2,6-Bis[(dimethylamino)methyl]phenyl-κ^3^<i>N</i>,<i>C</i>^1^,<i>N</i>'}\ [bromido/chlorido(0.30/0.70)]mercury(II)‒{2,6-bis[(dimethylamino)methyl]phenyl- κ^3^<i>N</i>,<i>C</i>^1^,<i>N</i>'}[bromido/chlorido(0.24/0.76)]mercury(II) (1/1)","","- C24 H38 Br0.54 Cl1.46 Hg2 N4 -","- C24 H38 Br0.538 Cl1.462 Hg2 N4 -","- C96 H152 Br2.152 Cl5.848 Hg8 N16 -","4","1","HG5496","Gupta, Anand; Singh, Harkesh B.; Butcher, Ray J.","Crystal structure of {2,6-bis-[(di-methyl-amino)-meth-yl]phenyl-κ<sup>3</sup><i>N</i>,<i>C</i><sup>1</sup>,<i>N</i>'}(bromido/chlorido)-mercury(II).","Acta crystallographica. Section E, Crystallographic communications","2017","73","Pt 11","1679","1682","10.1107/S2056989017014682","","","1.54184","CuKα","","0.0388","0.0326","","","0.0711","0.0747","","","","","","1.056","","","","has coordinates,has disorder","245916","2020-10-21","18:00:00",""
"2311480","7.4829","0.0004","16.8867","0.0008","24.2649","0.0013","90","","98.18","0.003","90","","3035","0.3","100","2","100","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","Aqua(perchlorato)bis[μ-(<i>E</i>)-2-({[2-(pyridin-2-yl)ethyl]imino}methyl)phenolato-κ^4^<i>N</i>,<i>N</i>',<i>O</i>:<i>O</i>]dicopper(II) perchlorate","","- C28 H28 Cl2 Cu2 N4 O11 -","- C28 H28 Cl2 Cu2 N4 O11 -","- C112 H112 Cl8 Cu8 N16 O44 -","4","1","HG5497","Okeke, Ugochukwu; Gultneh, Yilma; Butcher, Ray J.","Crystal structure of aqua-(perchlorato)bis-[μ-(<i>E</i>)-2-({[2-(pyridin-2-yl)eth-yl]imino}-meth-yl)phenolato-κ<sup>4</sup><i>N</i>,<i>N</i>',<i>O</i>:<i>O</i>]dicopper(II) perchlorate.","Acta crystallographica. Section E, Crystallographic communications","2017","73","Pt 11","1708","1711","10.1107/S2056989017014694","","","0.71073","MoKα","","0.0524","0.0361","","","0.0773","0.084","","","","","","1.023","","","","has coordinates,has disorder","245917","2020-10-21","18:00:00",""
"2311481","8.216","0.0011","9.8605","0.0013","10.741","0.0014","95.999","0.002","90.181","0.002","113.774","0.002","790.99","0.18","100","2","100","2","","","","","","","","4","P -1","-P 1","2","","1,4-Dihydroxy-2-propoxyanthraquinone acetonitrile monosolvate","","- C19 H17 N O5 -","- C19 H17 N O5 -","- C38 H34 N2 O10 -","2","1","PK2605","Bosch, Eric; McClain, Emily N.","Synthesis and crystal structures of two purpurin derivatives: 1,4-dihy-droxy-2-propoxyanthra-quinone and 2-but-oxy-1,4-di-hydroxy-anthra-quinone.","Acta crystallographica. Section E, Crystallographic communications","2017","73","Pt 11","1687","1691","10.1107/S2056989017014724","","","0.71073","MoKα","","0.0649","0.0517","","","0.14","0.153","","","","","","1.058","","","","has coordinates","245918","2020-10-21","18:00:00",""
"2311482","4.773","0.0009","44.272","0.008","13.807","0.003","90","","95.164","0.002","90","","2905.7","1","100","2","100","2","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","2-Butoxy-1,4-dihydroxyanthraquinone","","- C18 H16 O5 -","- C18 H16 O5 -","- C144 H128 O40 -","8","2","PK2605","Bosch, Eric; McClain, Emily N.","Synthesis and crystal structures of two purpurin derivatives: 1,4-dihy-droxy-2-propoxyanthra-quinone and 2-but-oxy-1,4-di-hydroxy-anthra-quinone.","Acta crystallographica. Section E, Crystallographic communications","2017","73","Pt 11","1687","1691","10.1107/S2056989017014724","","","0.71073","MoKα","","0.1202","0.0626","","","0.1419","0.1657","","","","","","1.04","","","","has coordinates","245918","2020-10-21","18:00:00",""
"2311483","5.1962","0.0001","10.7814","0.0003","24.0067","0.0006","90","","90.256","0.002","90","","1344.9","0.06","293","2","293","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","4-Benzyl-1-(4-nitrophenyl)-1<i>H</i>-1,2,3-triazole","","- C15 H12 N4 O2 -","- C15 H12 N4 O2 -","- C60 H48 N16 O8 -","4","1","HG5498","Zukerman-Schpector, Julio; Dallasta Pedroso, Sofia; Sousa Madureira, Lucas; Weber Paixão, Márcio; Ali, Akbar; Tiekink, Edward R. T.","4-Benzyl-1-(4-nitro-phen-yl)-1<i>H</i>-1,2,3-triazole: crystal structure and Hirshfeld analysis.","Acta crystallographica. Section E, Crystallographic communications","2017","73","Pt 11","1716","1720","10.1107/S2056989017014748","","","0.71073","MoKα","","0.053","0.0397","","","0.0964","0.1057","","","","","","1.059","","","","has coordinates","245919","2020-10-21","18:00:00",""
"2311484","10.455","0.0013","17.662","0.002","7.9653","0.001","90","","108.16","0.003","90","","1397.6","0.3","298","2","298","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","<i>catena</i>-Poly[[bis(nitrato-κ^2^<i>O</i>,<i>O'</i>)cobalt(II)]-μ-<i>N</i>-(pyridin-2-ylmethyl)pyridine-3-amine-κ^3^<i>N</i>,<i>N</i>':<i>N</i>'']","","- C11 H11 Co N5 O6 -","- C11 H11 Co N5 O6 -","- C44 H44 Co4 N20 O24 -","4","1","","Moon, Suk-Hee; Kang, Youngjin; Park, Ki-Min","Crystal structure of a Co<sup>II</sup> coordination polymer with a dipyridyl ligand: <i>catena</i>-poly[[bis-(nitrato-κ<sup>2</sup><i>O</i>,<i>O</i>')cobalt(II)]-μ-<i>N</i>-(pyridin-2-ylmeth-yl)pyridine-3-amine-κ<sup>3</sup><i>N</i>,<i>N</i>':<i>N</i>''].","Acta crystallographica. Section E, Crystallographic communications","2017","73","Pt 11","1696","1699","10.1107/S205698901701475X","","","0.71073","MoKα","","0.088","0.0405","","","0.0736","0.0868","","","","","","0.962","","","","has coordinates","245920","2020-10-21","18:00:00",""
"2311485","9.4","0.02","10.3","0.02","12.81","0.03","92.05","0.06","99.67","0.07","114.3","0.06","1107","4","296","2","296.15","","","","","","","","","7","P -1","-P 1","2","","Poly[tetra-μ-cyanido-ethanolbis(2-iodopyrazine)digold(I)iron(II)]","","- C14 H12 Au2 Fe I2 N8 O -","- C14 H12 Au2 Fe I2 N8 O -","- C28 H24 Au4 Fe2 I4 N16 O2 -","2","1","XU5907","Fei, Bin; Kucheriv, Olesia I.; Tokmenko, Inna I.; Terebilenko, Kateryna V.; Gural'skiy, Il'ya A.","Crystal structure of poly[tetra-μ-cyanido-ethanol-bis(2-iodo-pyrazine)-digold(I)iron(II)].","Acta crystallographica. Section E, Crystallographic communications","2017","73","Pt 11","1755","1758","10.1107/S2056989017014785","","","0.71073","MoKα","","0.0484","0.0384","","","0.0746","0.0773","","","","","","0.923","","","","has coordinates","245921","2020-10-21","18:00:00",""
"2311486","9.366","0.005","15.203","0.005","23.07","0.005","90","","90","","90","","3285","2","293","2","293","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","bis(4-4'-diammonio-diphenyl)sulfone tetra(nitrate) monohydrate","Bis[bis(4-azaniumylphenyl) sulfone] tetranitrate monohydrate","","- C12 H15 N8 O8.5 S -","- C12 H15 N4 O8.5 S -","- C96 H120 N32 O68 S8 -","8","2","ZS2390","Benahsene, Amani Hind; Bendjeddou, Lamia; Merazig, Hocine","Crystal structure of bis[bis(4-azaniumylphenyl) sulfone] tetranitrate monohydrate.","Acta crystallographica. Section E, Crystallographic communications","2017","73","Pt 11","1721","1725","10.1107/S2056989017014803","","","0.71073","MoKα","","0.1241","0.0632","","","0.1613","0.2008","","","","","","0.979","","","","has coordinates","279947","2022-12-20","10:58:45",""
"2311487","8.8963","0.0008","9.4701","0.0009","9.5839","0.0009","115.356","0.003","106.876","0.003","94.119","0.003","680.03","0.11","123","2","123","2","","","","","","","","5","P -1","-P 1","2","VII","3,5-Dibromo-4-cyanobenzoic acid‒anthracene (2/1)","","- C15 H8 Br2 N O2 -","- C15 H8 Br2 N O2 -","- C30 H16 Br4 N2 O4 -","2","1","LH5854","Noland, Wayland E.; Rieger, Janel L.; Tu, Zoe H.; Tritch, Kenneth J.","A 2:1 co-crystal of 3,5-di-bromo-4-cyano-benzoic acid and anthracene.","Acta crystallographica. Section E, Crystallographic communications","2017","73","Pt 11","1743","1746","10.1107/S2056989017014815","","","1.54178","CuKα","","0.0277","0.0264","","","0.0668","0.0681","","","","","","1.055","","","","has coordinates","245923","2020-10-21","18:00:00",""
"2311488","26.404","0.005","7.9303","0.0016","30.72","0.006","90","","95.09","0.03","90","","6407","2","100","2","100","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","(3<i>RS</i>,3a<i>SR</i>,8<i>RS</i>,8a<i>RS</i>)-Methyl 5,6-dimethoxy-3a,10-dimethyl-1-phenyl-3,3a,8,8a-tetrahydro-3,8-(epiminomethano)cyclopenta[<i>a</i>]indene-2-carboxylate","","- C25 H27 N O4 -","- C25 H27 N O4 -","- C300 H324 N12 O48 -","12","3","YK2110","Anh, Le Tuan; Titov, Alexander A.; Kobzev, Maxim S.; Voskressensky, Leonid G.; Varlamov, Alexey V.; Dorovatovskii, Pavel V.; Khrustalev, Victor N.","Unusual thermolysis of aza-cyclic allene under microwave conditions: crystal structure of (3<i>RS</i>,3a<i>SR</i>,8<i>RS</i>,8a<i>RS</i>)-methyl 5,6-dimeth-oxy-3a,10-dimethyl-1-phenyl-3,3a,8,8a-tetra-hydro-3,8-(epimino-methano)-cyclo-penta-[<i>a</i>]indene-2-carboxyl-ate from synchrotron X-ray diffraction.","Acta crystallographica. Section E, Crystallographic communications","2017","73","Pt 11","1770","1773","10.1107/S2056989017014864","","","0.9699","synchrotron","","0.0759","0.0529","","","0.1291","0.1458","","","","","","1.068","","","","has coordinates","245924","2020-10-21","18:00:00",""
"2311489","20.8869","0.0016","22.4197","0.0013","9.6352","0.0006","90","","90","","90","","4512","0.5","173","2","173","2","","","","","","","","5","F d d 2","F 2 -2d","43","","1,3,6,8-Tetraazatricyclo[4.4.1.1^3,8^]dodecane‒4-iodophenol (1/2)","","- C20 H26 I2 N4 O2 -","- C20 H26 I2 N4 O2 -","- C160 H208 I16 N32 O16 -","8","0.5","SJ5537","Rivera, Augusto; Rojas, Jicli José; Ríos-Motta, Jaime; Bolte, Michael","Crystal structure of the co-crystalline adduct 1,3,6,8-tetra-aza-tri-cyclo-[4.4.1.1<sup>3,8</sup>]dodecane (TATD)-4-iodo-phenol (1/2): supra-molecular assembly mediated by halogen and hydrogen bonding.","Acta crystallographica. Section E, Crystallographic communications","2017","73","Pt 11","1692","1695","10.1107/S2056989017014943","","","0.71073","MoKα","","0.025","0.0246","","","0.0645","0.0647","","","","","","1.057","","","","has coordinates","245925","2020-10-21","18:00:00",""
"2311490","8.162","0.0007","8.8158","0.0008","9.5078","0.0008","98.531","0.002","109.218","0.002","92.062","0.002","636.22","0.1","298","2","298","2","","","","","","","","6","P -1","-P 1","2","","<i>catena</i>-Poly[[bis(nitrato-κ<i>O</i>)cobalt(II)]bis[μ-bis(pyridin-3-ylmethyl)sulfane-κ^2^<i>N</i>:<i>N</i>']]","","- C24 H24 Co N6 O6 S2 -","- C24 H24 Co N6 O6 S2 -","- C24 H24 Co N6 O6 S2 -","1","0.5","","Moon, Suk-Hee; Seo, Joobeom; Park, Ki-Min","Crystal structure of a looped-chain Co<sup>II</sup> coordination polymer: <i>catena</i>-poly[[bis-(nitrato-κ<i>O</i>)cobalt(II)]bis-[μ-bis-(pyridin-3-ylmeth-yl)sulfane-κ<sup>2</sup><i>N</i>:<i>N</i>']].","Acta crystallographica. Section E, Crystallographic communications","2017","73","Pt 11","1700","1703","10.1107/S2056989017014980","","","0.71073","MoKα","","0.0409","0.0328","","","0.0834","0.0877","","","","","","1.037","","","","has coordinates","245926","2020-10-21","18:00:00",""
"2311491","9.3136","0.0003","12.4532","0.0005","16.1799","0.0006","70.584","0.003","89.453","0.003","74.996","0.003","1703.51","0.12","200","2","200","2","","","","","","","","6","P -1","-P 1","2","","Bis(pyridine-4-carbothioamide-κ<i>N</i>^1^)bis(thiocyanato-κ<i>N</i>)cobalt(II) methanol monosolvate","","- C27 H28 Co N10 O S6 -","- C27 H28 Co N10 O S6 -","- C54 H56 Co2 N20 O2 S12 -","2","1","WM5421","Neumann, Tristan; Jess, Inke; Näther, Christian","Crystal structure of bis-(pyridine-4-carbo-thio-amide-κ<i>N</i><sup>1</sup>)bis-(thio-cyanato-κ<i>N</i>)cobalt(II) methanol monosolvate.","Acta crystallographica. Section E, Crystallographic communications","2017","73","Pt 11","1786","1789","10.1107/S2056989017015055","","","0.71073","MoKα","","0.0398","0.0311","","","0.077","0.0795","","","","","","1.068","","","","has coordinates","245927","2020-10-21","18:00:00",""
"2311492","7.2739","0.0007","11.2713","0.0011","14.6909","0.0015","87.562","0.001","78.341","0.001","71.624","0.001","1119.16","0.19","296","2","296","2","","","","","","","","5","P -1","-P 1","2","","5-(3-Phenylisothiazol-5-yl)-1,3,4-oxathiazol-2-one","","- C11 H6 N2 O2 S2 -","- C11 H6 N2 O2 S2 -","- C44 H24 N8 O8 S8 -","4","2","","Zhu, Shuguang; Schriver, Melbourne J.; Hendsbee, Arthur D.; Masuda, Jason D.","The crystal structures of two isomers of 5-(phenyl-iso-thia-zol-yl)-1,3,4-oxa-thia-zol-2-one.","Acta crystallographica. Section E, Crystallographic communications","2017","73","Pt 11","1726","1731","10.1107/S2056989017015067","","","0.71073","MoKα","","0.0349","0.0314","","","0.1015","0.106","","","","","","1.036","","","","has coordinates","245928","2020-10-21","18:00:00",""
"2311493","9.7202","0.0006","9.9723","0.0006","11.2165","0.0007","90","","90.399","0.001","90","","1087.22","0.12","296","2","296","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","5-(3-Phenylisothiazol-4-yl)-1,3,4-oxathiazol-2-one","","- C11 H6 N2 O2 S2 -","- C11 H6 N2 O2 S2 -","- C44 H24 N8 O8 S8 -","4","1","","Zhu, Shuguang; Schriver, Melbourne J.; Hendsbee, Arthur D.; Masuda, Jason D.","The crystal structures of two isomers of 5-(phenyl-iso-thia-zol-yl)-1,3,4-oxa-thia-zol-2-one.","Acta crystallographica. Section E, Crystallographic communications","2017","73","Pt 11","1726","1731","10.1107/S2056989017015067","","","0.71073","MoKα","","0.0309","0.0297","","","0.0814","0.0831","","","","","","1.016","","","","has coordinates","245928","2020-10-21","18:00:00",""
"2311494","7.5701","0.0003","14.1261","0.0004","14.9018","0.0005","97.351","0.003","102.335","0.003","91.206","0.003","1542.03","0.09","293","2","293","","","","","","","","","6","P -1","-P 1","2","","Bis(1<i>H</i>-benzo[<i>d</i>][1,2,3]triazole-κ<i>N</i>^2^){2,2'-[<i>N</i>-(phenylphosphorylmethyl-κ<i>O</i>)azanediyl]diacetato-κ^3^<i>O</i>,<i>N</i>,<i>O</i>'}cobalt(II)‒1<i>H</i>-benzo[<i>d</i>][1,2,3]triazole (1/1)","","- C29 H27 Co N10 O6 P -","- C29 H27 Co N10 O6 P -","- C58 H54 Co2 N20 O12 P2 -","2","1","XU5906","Du, Chao-Jun; Zhao, Xiao-Na","Synthesis and crystal structure of bis-(1<i>H</i>-benzo[<i>d</i>][1,2,3]triazole-κ<i>N</i><sup>2</sup>){2,2'-[<i>N</i>-(phenyl-phospho-r-yl-methyl-κ<i>O</i>)aza-nedi-yl]di-acetato-κ<sup>3</sup><i>O</i>,<i>N</i>,<i>O</i>'}cobalt(II)-1<i>H</i>-benzo[<i>d</i>][1,2,3]triazole (1/1).","Acta crystallographica. Section E, Crystallographic communications","2017","73","Pt 11","1704","1707","10.1107/S2056989017015079","","","0.71073","MoKα","","0.0519","0.0379","","","0.0886","0.0971","","","","","","1.019","","","","has coordinates","245929","2020-10-21","18:00:00",""
"2311495","7.2782","0.0004","14.0016","0.0007","15.7852","0.0008","90","","99.546","0.001","90","","1586.34","0.14","120","2","120","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","1-(2-Acetyl-11-methoxy-5,6-dihydro[1,3]dioxolo[4,5-<i>g</i>]pyrrolo[2,1-<i>a</i>]isoquinolin-1-yl)propan-2-one","","- C19 H19 N O5 -","- C19 H19 N O5 -","- C76 H76 N4 O20 -","4","1","HB7707","Anh, Le Tuan; Titov, Alexander A.; Samavati, Reza; Voskressensky, Leonid G.; Varlamov, Alexey V.; Khrustalev, Victor N.","A new approach to alkaloid-like systems: synthesis and crystal structure of 1-(2-acetyl-11-meth-oxy-5,6-di-hydro-[1,3]dioxolo[4,5-<i>g</i>]pyrrolo-[2,1-<i>a</i>]isoquinolin-1-yl)propan-2-one.","Acta crystallographica. Section E, Crystallographic communications","2017","73","Pt 11","1732","1734","10.1107/S2056989017015110","","","0.71073","MoKα","","0.064","0.0482","","","0.1228","0.133","","","","","","1.03","","","","has coordinates","245930","2020-10-21","18:00:00",""
"2311496","19.4627","0.0004","13.8181","0.0004","7.7343","0.0002","90","","90","","90","","2080.04","0.09","293","2","293","2","","","","","","","","6","C m c 21","C 2c -2","36","","<i>catena</i>-Poly[bis(1,2,3-benzotriazolium) [[tetrachloridobismuth(III)]-μ-chlorido] dihydrate]","","- C12 H16 Bi Cl5 N6 O2 -","- C12 H16 Bi Cl5 N6 O2 -","- C48 H64 Bi4 Cl20 N24 O8 -","4","0.5","","Boukoum, Chaima; Aloui, Zouhaier; Ferretti, Valeria; Abid, Sonia","Synthesis, crystal structure and Hirshfeld surface analysis of a polymeric bis-muthate(III) halide complex, (C<sub>6</sub>H<sub>6</sub>N<sub>3</sub>)<sub>2</sub>[BiCl<sub>5</sub>]·2H<sub>2</sub>O.","Acta crystallographica. Section E, Crystallographic communications","2017","73","Pt 11","1759","1763","10.1107/S2056989017015134","","","0.71073","MoKα","","0.0384","0.038","","","0.0953","0.0955","","","","","","1.111","","","","has coordinates","245931","2020-10-21","18:00:00",""
"2311497","7.2449","0.0011","9.6102","0.0014","17.196","0.003","98.58","0.002","94.54","0.002","103.409","0.002","1143.5","0.3","100","2","100","2","","","","","","","","4","P -1","-P 1","2","","<i>N</i>,<i>N</i>,<i>N</i>',<i>N</i>'-Tetrakis(2-methylpropyl)disulfane-1,2-dicarbothioamide","","- C18 H36 N2 S4 -","- C18 H36 N2 S4 -","- C36 H72 N4 S8 -","2","1","LH5851","Fontenot, Patricia R.; Wang, Bo; Chen, Yueli; Donahue, James P.","Crystal structure of tetra-iso-butyl-thiuram di-sulfide.","Acta crystallographica. Section E, Crystallographic communications","2017","73","Pt 11","1764","1769","10.1107/S2056989017015158","","","0.71073","MoKα","","0.0716","0.0516","","","0.1347","0.1462","","","","","","1.071","","","","has coordinates","245932","2020-10-21","18:00:00",""
"2311498","12.3538","0.0006","18.7727","0.001","23.4056","0.0012","90","","90","","90","","5428.1","0.5","173","2","173","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","4-(Dimethylamino)pyridine‒4-methoxyphenylborane (1/1)","","- C14 H19 B N2 O -","- C14 H19 B N2 O -","- C224 H304 B16 N32 O16 -","16","2","LH5853","Shooter, Jesse; Allen, Caleb J.; Tinsley, Colby W. K.; Zakharov, Lev N.; Abbey, Eric R.","Crystal structure and Hirshfield analysis of the 4-(di-methyl-amino)-pyridine adduct of 4-meth-oxy-phenyl-borane.","Acta crystallographica. Section E, Crystallographic communications","2017","73","Pt 11","1747","1750","10.1107/S2056989017015171","","","1.54178","CuKα","","0.0569","0.0467","","","0.1327","0.1443","","","","","","1.084","","","","has coordinates","245933","2020-10-21","18:00:00",""
"2311499","7.9407","0.0014","12.293","0.002","18.0684","0.0019","90","","90","","90","","1763.7","0.5","293","2","293","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","Trisodium Zinc Cadmium Pentaborate","Trisodium zinc cadmium pentaborate","","- B5 Cd0.09 Na3 O10 Zn0.91 -","- B5 Cd0.088 Na3 O10 Zn0.912 -","- B40 Cd0.704 Na24 O80 Zn7.296 -","8","1","WM5422","Chen, Xue-An; Zhang, Ya-Hua; Chang, Xin-An; Xiao, Wei-Qiang","Crystal structures of the solid solutions Na<sub>3</sub>Zn<sub>0.912</sub>Cd<sub>0.088</sub>B<sub>5</sub>O<sub>10</sub> and Na<sub>3</sub>Zn<sub>0.845</sub>Mg<sub>0.155</sub>B<sub>5</sub>O<sub>10</sub>.","Acta crystallographica. Section E, Crystallographic communications","2017","73","Pt 11","1774","1778","10.1107/S2056989017015249","","","0.71073","MoKα","","0.0943","0.0374","","","0.0673","0.0723","","","","","","0.911","","","","has coordinates","245935","2020-10-21","18:00:00",""
"2311500","7.8931","0.0012","12.2555","0.0012","18.0874","0.0011","90","","90","","90","","1749.7","0.3","293","2","293","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","Trisodium Zinc Magnesium Pentaborate","Trisodium zinc magnesium pentaborate","","- B5 Mg0.155 Na3 O10 Zn0.845 -","- B5 Mg0.155 Na3 O10 Zn0.845 -","- B40 Mg1.24 Na24 O80 Zn6.76 -","8","1","WM5422","Chen, Xue-An; Zhang, Ya-Hua; Chang, Xin-An; Xiao, Wei-Qiang","Crystal structures of the solid solutions Na<sub>3</sub>Zn<sub>0.912</sub>Cd<sub>0.088</sub>B<sub>5</sub>O<sub>10</sub> and Na<sub>3</sub>Zn<sub>0.845</sub>Mg<sub>0.155</sub>B<sub>5</sub>O<sub>10</sub>.","Acta crystallographica. Section E, Crystallographic communications","2017","73","Pt 11","1774","1778","10.1107/S2056989017015249","","","0.71073","MoKα","","0.109","0.0441","","","0.1047","0.113","","","","","","0.872","","","","has coordinates","245935","2020-10-21","18:00:00",""
"2311501","19","0.007","7.382","0.003","20.212","0.007","90","","114.271","0.005","90","","2584.3","1.7","150","2","150","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","2,3,5,6-Tetrakis(pyridin-2-yl)pyrazine hydrogen peroxide 4.75-solvate","","- C24 H25.5 N6 O9.5 -","- C24 H25.5 N6 O9.5 -","- C96 H102 N24 O38 -","4","1","PK2607","Navasardyan, Mger A.; Bezzubov, Stanislav I.; Kuz'mina, Lyudmila G.; Prikhodchenko, Petr V.; Churakov, Andrei V.","Crystal structure of 2,3,5,6-tetra-kis-(pyridin-2-yl)pyrazine hydrogen peroxide 4.75-solvate.","Acta crystallographica. Section E, Crystallographic communications","2017","73","Pt 11","1793","1796","10.1107/S2056989017015328","","","0.71073","MoKα","","0.1016","0.0897","","","0.185","0.1908","","","","","","1.168","","","","has coordinates,has disorder","245936","2020-10-21","18:00:00",""
"2311502","6.5825","0.0005","9.0574","0.0012","13.9842","0.0012","74.214","0.001","84.69","0.002","82.303","0.001","793.69","0.14","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","Poly[(μ~3~-3-carboxybenzoato)[μ~2~-5-(pyridin-4-yl)-1<i>H</i>,2'<i>H</i>-3,3'-bi[1,2,4-triazole]]cobalt(II)]","","- C17 H11 Co N7 O4 -","- C17 H11 Co N7 O4 -","- C34 H22 Co2 N14 O8 -","2","1","KQ2016","Du, Chao-Jun; Zhao, Xiao-Na; Chen, Bao-Yong","Synthesis and crystal structure of a two-dimensional Co<sup>II</sup> coordination polymer: poly[(μ<sub>3</sub>-3-carb-oxy-benzoato)[μ<sub>2</sub>-5-(pyridin-4-yl)-1<i>H</i>,2'<i>H</i>-3,3'-bi[1,2,4-triazole]]cobalt(II)].","Acta crystallographica. Section E, Crystallographic communications","2017","73","Pt 11","1779","1781","10.1107/S205698901701533X","","","0.71073","MoKα","","0.1049","0.0608","","","0.0895","0.1126","","","","","","1.093","","","","has coordinates","245937","2020-10-21","18:00:00",""
"2311503","8.5922","0.0003","9.1285","0.0003","21.5629","0.0006","90","","96.754","0.001","90","","1679.53","0.09","173","2","173","2","","","","","","","","7","P 1 21 1","P 2yb","4","","Poly[bis{μ~2~-1-[2-(cyclohexylsulfanyl)ethyl]pyridin-2(1<i>H</i>)-one}tetra-μ~3~-iodidotetracopper(I)]","","- C26 H38 Cu4 I4 N2 O2 S2 -","- C26 H38 Cu4 I4 N2 O2 S2 -","- C52 H76 Cu8 I8 N4 O4 S4 -","2","1","","Park, Hyunjin; Kim, Jineun; Im, Hansu; Kim, Tae Ho","A two-dimensional copper(I) coordination polymer based on 1-[2-(cyclo-hexyl-sulfan-yl)eth-yl]pyridin-2(1<i>H</i>)-one.","Acta crystallographica. Section E, Crystallographic communications","2017","73","Pt 11","1782","1785","10.1107/S2056989017015377","","","0.71073","MoKα","","0.0323","0.0313","","","0.0714","0.0722","","","","","","1.101","","","","has coordinates","245938","2020-10-21","18:00:00",""
"2311504","10.3615","0.0003","13.8916","0.0006","20.2121","0.0008","90","","90","","90","","2909.29","0.19","295","2","295","1","","","","","","","","5","P b c a","-P 2ac 2ab","61","","4-Methyl-1-(3-phenoxypropyl)pyridinium bromide","","- C15 H18 Br N O -","- C15 H18 Br N O -","- C120 H144 Br8 N8 O8 -","8","1","","Said, Musa A.; Aouad, Mohamed R.; Hughes, David L.; Almehmadi, Meshal A.; Messali, Mouslim","Synthesis and crystal structure of a new pyridinium bromide salt: 4-methyl-1-(3-phen-oxy-prop-yl)pyridinium bromide.","Acta crystallographica. Section E, Crystallographic communications","2017","73","Pt 12","1831","1834","10.1107/S2056989017015481","","","0.71073","Mo-Kα","","0.0561","0.045","","","0.0827","0.0865","","","","","","1.199","","","","has coordinates","245939","2020-10-21","18:00:00",""
"2311505","8.8","0.0018","9.661","0.0019","15.369","0.003","75.68","0.03","85.44","0.03","83.68","0.03","1256.5","0.5","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","Diethyl 3,3'-[(2-fluorophenyl)methylidene]bis(1<i>H</i>-indole-2-carboxylate)","","- C29 H25 F N2 O4 -","- C29 H25 F N2 O4 -","- C58 H50 F2 N4 O8 -","2","1","XU5908","Lu, Xin-Hua; Sun, Hong-Shun; Cai, Yuan; Chen, Lu-Lu; Chen, Yang-Feng","Crystal structure of diethyl 3,3'-[(2-fluoro-phen-yl)methyl-idene]bis-(1<i>H</i>-indole-2-carboxyl-ate).","Acta crystallographica. Section E, Crystallographic communications","2017","73","Pt 11","1790","1792","10.1107/S2056989017015523","","","0.71073","MoKα","","0.1222","0.0689","","","0.1622","0.1859","","","","","","1","","","","has coordinates","245940","2020-10-21","18:00:00",""
"2311506","13.6751","0.0006","16.0733","0.0007","19.5889","0.0009","98.6919","0.0018","109.424","0.0016","90.5484","0.0016","4005.8","0.3","105","2","105","2","","","","","","","","3","P -1","-P 1","2","","(η^5^,η^1^-Adamantylidenepentafulvene)bis(η^5^-cyclopentadienyl)zirconium(IV)‒toluene‒<i>n</i>-hexane (8/1/1)","","- C26.62 H30.75 Zr -","- C26.625 H30.75 Zr -","- C213 H246 Zr8 -","8","4","WM5418","Fischer, Malte; Schmidtmann, Marc; Beckhaus, Rüdiger","Crystal structure of the formal 20 electron zirconocene penta-fulvene complex Cp<sub>2</sub>Zr(η<sup>5</sup>,η<sup>1</sup>-adamantyl-idene-penta-fulvene):toluene:<i>n</i>-hexane = 1:0.125:0.125.","Acta crystallographica. Section E, Crystallographic communications","2017","73","Pt 12","1823","1826","10.1107/S2056989017015560","","","0.71073","MoKα","","0.0767","0.0439","","","0.0957","0.11","","","","","","1.013","","","","has coordinates,has disorder","245941","2020-10-21","18:00:00",""
"2311507","10.914","0.0004","12.1104","0.0005","12.2394","0.0005","95.62","0.002","116.098","0.002","114.545","0.002","1241.05","0.1","173","1","173","1","","","","","","","","7","P -1","-P 1","2","","Bis(μ~2~-4-bromo-2-[({2-[({2-[(5-bromo-2-oxidobenzylidene)amino]ethyl}sulfanyl)sulfonyl]ethyl}imino)methyl]phenolato)dicopper(II) dimethylformamide disolvate","","- C42 H46 Br4 Cu2 N6 O10 S4 -","- C42 H46 Br4 Cu2 N6 O10 S4 -","- C42 H46 Br4 Cu2 N6 O10 S4 -","1","0.5","LH5856","Rusanova, Julia A.; Bederak, Dmytro","Crystal structure of bis(μ<sub>2</sub>-4-bromo-2-[({2-[({2-[(5-bromo-2-oxidobenzylidene)amino]ethyl}sulfanyl)sulfonyl]ethyl}imino)methyl]phenolato)dicopper(II) dimethylformamide disolvate.","Acta crystallographica. Section E, Crystallographic communications","2017","73","Pt 11","1797","1800","10.1107/S2056989017015584","","","0.71073","MoKα","","0.1343","0.0588","","","0.1083","0.1349","","","","","","0.971","","","","has coordinates","245942","2020-10-21","18:00:00",""
"2311508","8.8965","0.0002","18.0995","0.0004","19.0103","0.0006","90","","94.572","0.002","90","","3051.34","0.14","120","2","120","2","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","Poly[[aqua{μ~4~-2,2'-[(4,10-dimethyl-1,4,7,10-tetraazacyclododecane-1,7-diyl)bis(methylidene)]bis(4-oxo-4<i>H</i>-pyran-3-olato)}perchloratocobaltbarium] perchlorate]","","- C22 H30 Ba Cl2 Co N4 O15 -","- C22 H30 Ba Cl2 Co N4 O15 -","- C88 H120 Ba4 Cl8 Co4 N16 O60 -","4","1","BQ2404","Paoli, Paola; Macedi, Eleonora; Rossi, Patrizia; Giorgi, Luca; Formica, Mauro; Fusi, Vieri","Crystal structure of the Ba<sup>II</sup>-based Co<sup>II</sup>-containing one-dimensional coordination polymer poly[[aqua{μ<sub>4</sub>-2,2'-[(4,10-dimethyl-1,4,7,10-tetra-aza-cyclo-dodecane-1,7-di-yl)bis(methylidene)]bis-(4-oxo-4<i>H</i>-pyran-3-olato)}-perchloratocobaltbarium] perchlorate].","Acta crystallographica. Section E, Crystallographic communications","2017","73","Pt 12","1806","1811","10.1107/S2056989017015638","","","0.71073","MoKα","","0.062","0.0411","","","0.0894","0.1031","","","","","","1.057","","","","has coordinates,has disorder","245943","2020-10-21","18:00:00",""
"2311509","12.19","0.006","5.972","0.003","38.17","0.02","90","","98.013","0.01","90","","2752","2","297","2","297","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","(2<i>E</i>,2'<i>E</i>)-3,3'-(1,4-Phenylene)bis[1-(2,4-difluorophenyl)prop-2-en-1-one]","","- C24 H14 F4 O2 -","- C24 H14 F4 O2 -","- C144 H84 F24 O12 -","6","1.5","HB7696","Kwong, Huey Chong; Sim, Aijia; Chidan Kumar, C. S.; Then, Li Yee; Win, Yip-Foo; Quah, Ching Kheng; Naveen, S.; Warad, Ismail","Crystal structure and Hirshfeld surface analysis of (2<i>E</i>,2'<i>E</i>)-3,3'-(1,4-phenyl-ene)bis-[1-(2,4-di-fluoro-phen-yl)prop-2-en-1-one].","Acta crystallographica. Section E, Crystallographic communications","2017","73","Pt 12","1812","1816","10.1107/S205698901701564X","","","0.71073","MoKα","","0.1193","0.0763","","","0.1874","0.2329","","","","","","1.088","","","","has coordinates","245944","2020-10-21","18:00:00",""
"2311510","18.31","0.008","5.2661","0.001","9.2792","0.001","90","","96.07","0.004","90","","889.7","0.4","297","2","297","2","","","","","","","","4","P 1 21 1","P 2yb","4","(1S,2R)-(+)-2-Amino-1,2-diphenylethanol, L-(S)-Aspartic acid, monohydrate","(1<i>S</i>,2<i>R</i>)-2-Hydroxy-1,2-diphenylethan-1-aminium (<i>S</i>)-2-azaniumylbutanedioate monohydrate","","- C18 H24 N2 O6 -","- C18 H24 N2 O6 -","- C36 H48 N4 O12 -","2","1","SU5398","Fujii, Isao","Crystal structure of (1<i>S</i>,2<i>R</i>)-2-hy-droxy-1,2-di-phenyl-ethan-1-aminium (<i>S</i>)-2-aza-niumyl-butane-dioate monohydrate.","Acta crystallographica. Section E, Crystallographic communications","2017","73","Pt 12","1827","1830","10.1107/S2056989017015729","","","1.54178","CuKα","","0.0316","0.0282","","","0.0759","0.0788","","","","","","1.059","","","","has coordinates","245945","2020-10-21","18:00:00",""
"2311511","9.776","0.002","15.939","0.003","17.581","0.004","90","","101.94","0.03","90","","2680.2","1","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","Diethyl 3,3'-[(2,4-dichlorophenyl)methylidene]bis(1<i>H</i>-indole-2-carboxylate)","","- C29 H24 Cl2 N2 O4 -","- C29 H24 Cl2 N2 O4 -","- C116 H96 Cl8 N8 O16 -","4","1","SJ5539","Li, Yu-Long; Sun, Hong-Shun; Jiang, Hong; Chen, Yu-Liang; Chen, Yang-Feng","Crystal structure of diethyl 3,3'-[(2,4-di-chloro-phen-yl)methyl-idene]bis-(1<i>H</i>-indole-2-carboxyl-ate).","Acta crystallographica. Section E, Crystallographic communications","2017","73","Pt 12","1817","1819","10.1107/S2056989017015730","","","0.71073","MoKα","","0.1192","0.0666","","","0.1653","0.1918","","","","","","1","","","","has coordinates","245946","2020-10-21","18:00:00",""
"2311512","9.9916","0.0005","11.7805","0.0006","11.9776","0.0006","88.809","0.004","79.159","0.004","67.245","0.005","1274.8","0.12","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","<i>N</i>-[6-Amino-5-(benzo[<i>d</i>]thiazol-2-yl)-3-cyano-4-methylsulfanyl-2-oxo-1,2-dihydropyridin-1-yl]-4-methylbenzenesulfonamide dimethylformamide monosolvate","","- C24 H24 N6 O4 S3 -","- C24 H24 N6 O4 S3 -","- C48 H48 N12 O8 S6 -","2","1","HG5500","Azzam, Rasha A.; Elgemeie, Galal H.; Elsayed, Rasha E.; Jones, Peter G.","Crystal structure of <i>N</i>-[6-amino-5-(benzo[<i>d</i>]thia-zol-2-yl)-3-cyano-4-methyl-sulfanyl-2-oxo-1,2-di-hydro-pyridin-1-yl]-4-methyl-benzene-sulfonamide di-methyl-formamide monosolvate.","Acta crystallographica. Section E, Crystallographic communications","2017","73","Pt 12","1820","1822","10.1107/S2056989017015778","","","0.71073","MoKα","","0.0401","0.033","","","0.0785","0.0824","","","","","","1.04","","","","has coordinates","245947","2020-10-21","18:00:00",""
"2311513","13.856","0.001","14.909","0.002","16.357","0.002","63.224","0.002","73.137","0.002","88.093","0.002","2868.2","0.6","190","2","190","2","","","","","","","","8","P -1","-P 1","2","","Nitrosonium tetrafluoridoborate–5,11,17,23-tetramethyl-6,10:12,16:18,22:24,4-tetrakis(phenylphosphonato-κ^2^<i>O</i>,<i>O</i>)resorcin(4)arene–dichloromethane (1/1/1)","","- C57 H46 B Cl2 F4 N O13 P4 -","- C56 H44 B F4 N O13 P4 -","- C112 H88 B2 F8 N2 O26 P8 -","2","1","","Pinalli, Roberta; Massera, Chiara","Nitro-sonium complexation by the tetra-phospho-nate cavitand 5,11,17,23-tetra-methyl-6,10:12,16:18,22:24,4-tetra-kis-(phenyl-phospho-nato-κ<sup>2</sup><i>O</i>,<i>O</i>)resorcin(4)arene.","Acta crystallographica. Section E, Crystallographic communications","2017","73","Pt 12","1801","1805","10.1107/S2056989017015857","","","0.71069","MoKα","","0.067","0.0417","","","0.1188","0.1276","","","","","","1.003","","","","has coordinates,has disorder","279105","2022-11-08","14:41:09",""
"2311514","9.7298","0.0006","11.8643","0.0005","14.4933","0.0007","90","","90","","90","","1673.07","0.15","100","2","100","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","1S,4S-2,5-diazabicyclo[2.2.1]heptane dihydrobromode","(1<i>S</i>,4<i>S</i>)-2,5-Diazoniabicyclo[2.2.1]heptane dibromide","","- C5 H12 Br2 N2 -","- C5 H12 Br2 N2 -","- C40 H96 Br16 N16 -","8","2","LH5858","Britvin, Sergey N.; Rumyantsev, Andrey M.","Crystal structure of (1<i>S</i>,4<i>S</i>)-2,5-diazo-niabi-cyclo[2.2.1]heptane dibromide.","Acta crystallographica. Section E, Crystallographic communications","2017","73","Pt 12","1861","1865","10.1107/S2056989017015870","","","0.71073","MoKα","","0.0147","0.0143","","","0.0351","0.0353","","","","","","1.023","","","","has coordinates","245949","2020-10-21","18:00:00",""
"2311515","7.2599","0.0005","10.5614","0.0005","16.7351","0.0008","78.863","0.004","87.472","0.005","85.238","0.005","1254.13","0.12","295","1","295","1","","","","","","","","4","P -1","-P 1","2","<i>r</i>-1,<i>c</i>-2-Dibenzoyl-<i>t</i>-3,<i>t</i>-4-bis(2-nitrophenyl)cyclobutane","[3,4-Bis(2-nitrophenyl)cyclobutane-1,2-diyl]bis[(phenyl)methanone]","","- C30 H22 N2 O6 -","- C30 H22 N2 O6 -","- C60 H44 N4 O12 -","2","1","EX2002","Velasco Ximello, Manuel; Bernès, Sylvain; Pérez-Benítez, Aarón; Hernández Pareja, Ulises; Mendoza, Angel; Juárez Posadas, Jorge R; Vázquez Bravo, Jaime","Crystal structure of <i>r</i>-1,<i>c</i>-2-dibenzoyl-<i>t</i>-3,<i>t</i>-4-bis-(2-nitro-phen-yl)cyclo-butane.","Acta crystallographica. Section E, Crystallographic communications","2017","73","Pt 12","1866","1870","10.1107/S2056989017015936","","","0.71073","MoKα","","0.0881","0.0533","","","0.1348","0.1642","","","","","","1.037","","","","has coordinates,has disorder","245950","2020-10-21","18:00:00",""
"2311516","4.7354","0.0003","25.9882","0.0017","11.0671","0.0009","90","","102.268","0.007","90","","1330.87","0.17","200","","200","","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","1-Hydroxy-4-propyloxy-9,10-anthraquinone","","- C17 H14 O4 -","- C17 H14 O4 -","- C68 H56 O16 -","4","1","NR2068","Nakagawa, Hidemi; Kitamura, Chitoshi","Crystal structures of 1-hy-droxy-4-prop-yloxy-9,10-anthra-quinone and its acetyl derivative.","Acta crystallographica. Section E, Crystallographic communications","2017","73","Pt 12","1845","1849","10.1107/S2056989017015973","","","0.71073","MoKα","","0.079","0.0471","","","0.1087","0.1227","","","","","","1.024","","","","has coordinates","245951","2020-10-21","18:00:00",""
"2311517","11.773","0.0012","15.514","0.002","8.9609","0.001","90","","111.153","0.008","90","","1526.4","0.3","200","","200","","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","1-Acetyloxy-4-propyloxy-9,10-anthraquinone","","- C19 H16 O5 -","- C19 H16 O5 -","- C76 H64 O20 -","4","1","NR2068","Nakagawa, Hidemi; Kitamura, Chitoshi","Crystal structures of 1-hy-droxy-4-prop-yloxy-9,10-anthra-quinone and its acetyl derivative.","Acta crystallographica. Section E, Crystallographic communications","2017","73","Pt 12","1845","1849","10.1107/S2056989017015973","","","0.71073","MoKα","","0.1579","0.0701","","","0.1454","0.1803","","","","","","0.961","","","","has coordinates","245951","2020-10-21","18:00:00",""
"2311518","14.9527","0.0005","5.5152","0.0002","16.6918","0.0005","90","","114.739","0.002","90","","1250.19","0.07","294","2","294","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","(<i>E</i>)-1-{3-[(5-Fluoro-2-hydroxybenzylidene)amino]phenyl}ethanone","","- C15 H12 F N O2 -","- C15 H12 F N O2 -","- C60 H48 F4 N4 O8 -","4","1","SU5402","Girisha, Marisiddaiah; Yathirajan, Hemmige S.; Rathore, Ravindranath S.; Glidewell, Christopher","Crystal structures of (<i>E</i>)-1-{3-[(5-fluoro-2-hy-droxy-benzyl-idene)amino]-phen-yl}ethanone and of a fourth polymorph of (<i>E</i>)-1-{3-[(2-hy-droxy-3-meth-oxy-benzyl-idene)amino]-phen-yl}ethanone.","Acta crystallographica. Section E, Crystallographic communications","2017","73","Pt 12","1835","1839","10.1107/S2056989017015985","","","1.54178","CuKα","","0.0677","0.0463","","","0.1076","0.1216","","","","","","1.035","","","","has coordinates","245952","2020-10-21","18:00:00",""
"2311519","19.1904","0.0004","5.33856","0.00012","26.5678","0.0006","90","","90","","90","","2721.85","0.1","294","2","294","2","","","","","","","","4","P c a 21","P 2c -2ac","29","","(<i>E</i>)-1-{3-[(2-Hydroxy-3-methoxybenzylidene)amino]phenyl}ethanone","","- C16 H15 N O3 -","- C16 H15 N O3 -","- C128 H120 N8 O24 -","8","2","SU5402","Girisha, Marisiddaiah; Yathirajan, Hemmige S.; Rathore, Ravindranath S.; Glidewell, Christopher","Crystal structures of (<i>E</i>)-1-{3-[(5-fluoro-2-hy-droxy-benzyl-idene)amino]-phen-yl}ethanone and of a fourth polymorph of (<i>E</i>)-1-{3-[(2-hy-droxy-3-meth-oxy-benzyl-idene)amino]-phen-yl}ethanone.","Acta crystallographica. Section E, Crystallographic communications","2017","73","Pt 12","1835","1839","10.1107/S2056989017015985","","","1.54184","CuKα","","0.0761","0.0476","","","0.0997","0.1132","","","","","","1.021","","","","has coordinates","245952","2020-10-21","18:00:00",""
"2311520","15.1028","0.001","3.6851","0.0003","17.5689","0.0013","90","","101.871","0.003","90","","956.89","0.12","180","2","180","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","Bis(2-carboxypyridinium) chloranilate dihydrate‒bis(pyridinium-2-carboxylate) chloranilic acid dihydrate (1/1)","","- C18 H16 Cl2 N2 O10 -","- C18 H16 Cl2 N2 O10 -","- C36 H32 Cl4 N4 O20 -","2","0.5","","Gotoh, Kazuma; Ishida, Hiroyuki","Crystal structures of two 1:2 dihydrate compounds of chloranilic acid with 2-carb-oxy-pyridine and 2-carb-oxy-quinoline.","Acta crystallographica. Section E, Crystallographic communications","2017","73","Pt 12","1840","1844","10.1107/S2056989017015997","","","0.71075","MoKα","","0.0332","0.0297","","","0.0775","0.0793","","","","","","1.108","","","","has coordinates,has disorder","245953","2020-10-21","18:00:00",""
"2311521","4.4745","0.0002","10.5448","0.0008","13.6111","0.0006","96.652","0.004","94.109","0.003","99.009","0.004","627.37","0.06","200","2","200","2","","","","","","","","5","P -1","-P 1","2","","chloranilic acid‒2-carboxyquinoline (1/2) dihydrate","","- C26 H20 Cl2 N2 O10 -","- C26 H20 Cl2 N2 O10 -","- C26 H20 Cl2 N2 O10 -","1","0.5","","Gotoh, Kazuma; Ishida, Hiroyuki","Crystal structures of two 1:2 dihydrate compounds of chloranilic acid with 2-carb-oxy-pyridine and 2-carb-oxy-quinoline.","Acta crystallographica. Section E, Crystallographic communications","2017","73","Pt 12","1840","1844","10.1107/S2056989017015997","","","0.71075","MoKα","","0.0722","0.0524","","","0.1388","0.1493","","","","","","1.005","","","","has coordinates","245953","2020-10-21","18:00:00",""
"2311522","11.628","0.011","9.057","0.006","11.525","0.012","90","","101.13","0.08","90","","1190.9","1.9","295","2","295","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","(<i>Z</i>)-<i>N</i>-(4-Methoxyphenyl)-2-(4-oxothiazolidin-2-ylidene)acetamide","","- C12 H12 N2 O3 S -","- C12 H12 N2 O3 S -","- C48 H48 N8 O12 S4 -","4","1","","Galushchinskiy, Aleksei; Slepukhin, Pavel; Obydennov, Konstantin","Crystal structures of two (<i>Z</i>)-2-(4-oxo-1,3-thia-zolidin-2-yl-idene)acetamides.","Acta crystallographica. Section E, Crystallographic communications","2017","73","Pt 12","1850","1854","10.1107/S2056989017016061","","","1.54184","CuKα","","0.0559","0.0429","","","0.1023","0.1045","","","","","","1.01","","","","has coordinates","245954","2020-10-21","18:00:00",""
"2311523","9.974","0.0004","11.2175","0.0004","9.3155","0.0004","90","","100.389","0.004","90","","1025.16","0.07","295","2","295","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","(<i>Z</i>)-2-[2-(Morpholin-4-yl)-2-oxoethylidene]thiazolidin-4-one","","- C9 H12 N2 O3 S -","- C9 H12 N2 O3 S -","- C36 H48 N8 O12 S4 -","4","1","","Galushchinskiy, Aleksei; Slepukhin, Pavel; Obydennov, Konstantin","Crystal structures of two (<i>Z</i>)-2-(4-oxo-1,3-thia-zolidin-2-yl-idene)acetamides.","Acta crystallographica. Section E, Crystallographic communications","2017","73","Pt 12","1850","1854","10.1107/S2056989017016061","","","0.7107","MoKα","","0.0617","0.0461","","","0.1374","0.1543","","","","","","1.005","","","","has coordinates","245954","2020-10-21","18:00:00",""
"2311524","6.9341","0.0008","8.9597","0.0013","12.303","0.0016","110.217","0.005","91.06","0.005","93.28","0.005","715.49","0.16","293","2","293","2","","","","","","","","4","P -1","-P 1","2","","Poly[[di-μ~3~-acetato-tetraaquabis(μ~2~-cyclohexane-1,4-dicarboxylato)dilanthanum(III)] dihydrate]","","- C20 H38 La2 O18 -","- C20 H38 La2 O18 -","- C20 H38 La2 O18 -","1","0.5","VN2132","Drisya, R.; Mol, U. S. Soumya; Chandran, P. R. Satheesh; Sithambaresan, M.; Sudarsankumar, M. R.","Crystal structure of poly[[di-μ<sub>3</sub>-acetato-tetra-aqua-bis-(μ<sub>2</sub>-cyclo-hexane-1,4-di-carboxyl-ato)dilanth-an-um(III)] dihydrate].","Acta crystallographica. Section E, Crystallographic communications","2017","73","Pt 12","1926","1930","10.1107/S2056989017016103","","","0.71073","MoKα","","0.0733","0.041","","","0.1134","0.1455","","","","","","1.068","","","","has coordinates","245955","2020-10-21","18:00:00",""
"2311525","5.7981","0.0012","7.0938","0.0014","9.817","0.002","109.75","0.03","100.42","0.03","98.4","0.03","364.28","0.17","293","2","293","2","","","","","","","","4","P -1","-P 1","2","","Barium dimanganese(II) bis(arsenate)","","- As2 Ba Mn2 O8 -","- As2 Ba Mn2 O8 -","- As4 Ba2 Mn4 O16 -","2","1","WM5420","Alcantar, Salvador; Ledbetter, Hollis R.; Ranmohotti, Kulugammana G. S.","Crystal structure of BaMn<sub>2</sub>(AsO<sub>4</sub>)<sub>2</sub> containing discrete [Mn<sub>4</sub>O<sub>18</sub>]<sup>28-</sup> units.","Acta crystallographica. Section E, Crystallographic communications","2017","73","Pt 12","1855","1860","10.1107/S2056989017016152","","","0.71073","MoKα","","0.0407","0.0385","","","0.0951","0.0968","","","","","","1.144","","","","has coordinates","245956","2020-10-21","18:00:00",""
"2311526","11.594","0.004","17.072","0.005","4.4739","0.0012","90","","90","","90","","885.5","0.5","150.01","","150.01","","","","","","","","","7","P 21 21 2","P 2 2ab","18","","Poly[[μ~3~-(<i>S</i>)-2-amino-3-hydroxypropanoato]-<i>cis</i>-di-μ-chlorido-caesiumpalladium(II)]","","- C3 H6 Cl2 Cs N O3 Pd -","- C3 H6 Cl2 Cs N O3 Pd -","- C12 H24 Cl8 Cs4 N4 O12 Pd4 -","4","1","IM2483","Bhadbhade, Mohan Madhav; Charlson, Alexander J.","Crystal structure of poly[[μ<sub>3</sub>-(<i>S</i>)-2-amino-3-hydroxy-propano-ato]-<i>cis</i>-di-μ-chlorido-caesium-palladium(II)].","Acta crystallographica. Section E, Crystallographic communications","2017","73","Pt 12","1898","1902","10.1107/S2056989017016164","","","0.71073","MoKα","","0.0642","0.0387","","","0.0655","0.0758","","","","","","0.834","","","","has coordinates","245957","2020-10-21","18:00:00",""
"2311527","10.4724","0.0011","13.1128","0.0014","10.8914","0.0012","90","","100.117","0.0018","90","","1472.4","0.3","298","2","298","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","<i>catena</i>-Poly[[dichloridomercury(II)]-μ-bis(pyridin-3-ylmethyl)sulfane-κ^2^<i>N</i>:<i>N</i>']","","- C12 H12 Cl2 Hg N2 S -","- C12 H12 Cl2 Hg N2 S -","- C48 H48 Cl8 Hg4 N8 S4 -","4","1","","Moon, Suk-Hee; Kang, Youngjin; Park, Ki-Min","A one-dimensional Hg<sup>II</sup> coordination polymer based on bis-(pyridin-3-ylmeth-yl)sulfane.","Acta crystallographica. Section E, Crystallographic communications","2017","73","Pt 12","1871","1874","10.1107/S205698901701619X","","","0.71073","MoKα","","0.0536","0.0328","","","0.0694","0.0761","","","","","","1.027","","","","has coordinates","245958","2020-10-21","18:00:00",""
"2311528","5.2171","0.0009","8.9249","0.0016","15.309","0.003","105.289","0.008","94.523","0.008","93.295","0.009","683.2","0.2","296","2","296","2","","","","","","","","5","P -1","-P 1","2","","Aqua(1<i>H</i>-pyrazole-κ<i>N</i>^2^)(pyridine-2,6-dicarboxylato-κ^3^<i>O</i>^2^,<i>N</i>,<i>O</i>^6^)copper(II) dihydrate","","- C10 H13 Cu N3 O7 -","- C10 H13 Cu N3 O7 -","- C20 H26 Cu2 N6 O14 -","2","1","IS5480","Kim, Daeyoung; Kang, Sung Kwon","Crystal structure of aqua-(1<i>H</i>-pyrazole-κ<i>N</i><sup>2</sup>)(pyridine-2,6-di-carboxyl-ato-κ<sup>3</sup><i>O</i><sup>2</sup>,<i>N</i>,<i>O</i><sup>6</sup>)copper(II) dihydrate.","Acta crystallographica. Section E, Crystallographic communications","2017","73","Pt 12","1875","1877","10.1107/S2056989017016231","","","0.71073","MoKα","","0.0372","0.0349","","","0.0874","0.0883","","","","","","1.153","","","","has coordinates","245959","2020-10-21","18:00:00",""
"2311529","14.3999","0.0005","7.0388","0.0003","19.9725","0.0007","90","","91.727","0.003","90","","2023.45","0.13","100","2","100","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","<i>N</i>-(3-Methylphenyl)ethoxycarbothioamide","","- C10 H13 N O S -","- C10 H13 N O S -","- C80 H104 N8 O8 S8 -","8","2","HB7715","Jotani, Mukesh M.; Yeo, Chien Ing; Tiekink, Edward R. T.","A new monoclinic polymorph of <i>N</i>-(3-methyl-phen-yl)eth-oxy-carbo-thio-amide: crystal structure and Hirshfeld surface analysis.","Acta crystallographica. Section E, Crystallographic communications","2017","73","Pt 12","1889","1897","10.1107/S2056989017016280","","","0.71073","MoKα","","0.0666","0.0473","","","0.1147","0.1247","","","","","","1.034","","","","has coordinates","245960","2020-10-21","18:00:00",""
"2311530","12.8126","0.0007","7.0224","0.0003","12.8169","0.0006","90","","117.207","0.003","90","","1025.61","0.09","296","2","296","2","","","","","","","","5","P 1 21 1","P 2yb","4","","2-[(1<i>E</i>)-({1-(3-Chlorophenyl)-2-[(<i>E</i>)-(2-hydroxybenzylidene)amino]propyl}imino)methyl]phenol","","- C23 H21 Cl N2 O2 -","- C23 H21 Cl N2 O2 -","- C46 H42 Cl2 N4 O4 -","2","1","ZQ2239","Gayathri, A.; Rajeswari, K.; Vidhyasagar, T.; Selvanayagam, S.","Crystal structures of salen-type ligands 2-[(1<i>E</i>)-({1-(3-chloro-phen-yl)-2-[(<i>E</i>)-(2-hy-droxy-benzyl-idene)amino]-prop-yl}imino)-meth-yl]phenol and 2-[(1<i>E</i>)-({1-(4-chloro-phen-yl)-2-[(<i>E</i>)-(2-hy-droxy-benzyl-idene)amino]-prop-yl}imino)-meth-yl]phenol.","Acta crystallographica. Section E, Crystallographic communications","2017","73","Pt 12","1878","1881","10.1107/S2056989017016292","","","0.71073","MoKα","","0.1121","0.0439","","","0.0717","0.0873","","","","","","0.982","","","","has coordinates","245961","2020-10-21","18:00:00",""
"2311531","6.7923","0.0002","20.8261","0.0008","14.1744","0.0006","90","","92.435","0.002","90","","2003.26","0.13","296","2","296","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","2-[(1<i>E</i>)-({1-(4-Chlorophenyl)-2-[(<i>E</i>)-(2-hydroxybenzylidene)amino]propyl}imino)methyl]phenol","","- C23 H21 Cl N2 O2 -","- C23 H21 Cl N2 O2 -","- C92 H84 Cl4 N8 O8 -","4","1","ZQ2239","Gayathri, A.; Rajeswari, K.; Vidhyasagar, T.; Selvanayagam, S.","Crystal structures of salen-type ligands 2-[(1<i>E</i>)-({1-(3-chloro-phen-yl)-2-[(<i>E</i>)-(2-hy-droxy-benzyl-idene)amino]-prop-yl}imino)-meth-yl]phenol and 2-[(1<i>E</i>)-({1-(4-chloro-phen-yl)-2-[(<i>E</i>)-(2-hy-droxy-benzyl-idene)amino]-prop-yl}imino)-meth-yl]phenol.","Acta crystallographica. Section E, Crystallographic communications","2017","73","Pt 12","1878","1881","10.1107/S2056989017016292","","","0.71073","MoKα","","0.0951","0.0471","","","0.11","0.1402","","","","","","1.076","","","","has coordinates","245961","2020-10-21","18:00:00",""
"2311532","20.9091","0.0015","15.7423","0.0007","19.8734","0.0016","90","","112.451","0.006","90","","6045.7","0.8","173","2","173","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","Bis(tetra-<i>n</i>-butylammonium) dichloride decachlorocyclopentasilane dichloromethane disolvate","","- C34 H76 Cl16 N2 Si5 -","- C34 H76 Cl16 N2 Si5 -","- C136 H304 Cl64 N8 Si20 -","4","0.5","HB7717","Moxter, Maximilian; Teichmann, Julian; Lerner, Hans-Wolfram; Bolte, Michael; Wagner, Matthias","Deca-chloro-cyclo-penta-silanes coordinated by pairs of chloride anions, with different cations, but the same solvent mol-ecules.","Acta crystallographica. Section E, Crystallographic communications","2017","73","Pt 12","1903","1907","10.1107/S2056989017016310","","","0.71073","MoKα","","0.1298","0.1033","","","0.1884","0.199","","","","","","1.153","","","","has coordinates","245962","2020-10-21","18:00:00",""
"2311533","10.3596","0.0004","13.9612","0.0005","16.0205","0.0006","89.959","0.003","72.484","0.003","79.534","0.003","2169.29","0.15","173","2","173","2","","","","","","","","5","P -1","-P 1","2","","Bis(tetraethylammonium) dichloride decachlorocyclopentasilane dichloromethane disolvate","","- C18 H44 Cl16 N2 Si5 -","- C18 H44 Cl16 N2 Si5 -","- C36 H88 Cl32 N4 Si10 -","2","1","HB7717","Moxter, Maximilian; Teichmann, Julian; Lerner, Hans-Wolfram; Bolte, Michael; Wagner, Matthias","Deca-chloro-cyclo-penta-silanes coordinated by pairs of chloride anions, with different cations, but the same solvent mol-ecules.","Acta crystallographica. Section E, Crystallographic communications","2017","73","Pt 12","1903","1907","10.1107/S2056989017016310","","","0.71073","MoKα","","0.0525","0.0483","","","0.1268","0.1308","","","","","","1.078","","","","has coordinates,has disorder","245962","2020-10-21","18:00:00",""
"2311534","14.6731","0.0005","14.6731","0.0005","3.9727","0.0001","90","","90","","90","","855.32","0.05","123","2","123","2","","","","","","","","4","P -4 21 m","P -4 2ab","113","RCN","3,5-Dibromo-4-methylbenzonitrile","","- C8 H5 Br2 N -","- C8 H5 Br2 N -","- C32 H20 Br8 N4 -","4","0.5","LH5859","Noland, Wayland E.; Shudy, Jessica E.; Rieger, Janel L.; Tu, Zoe H.; Tritch, Kenneth J.","Crystal structures of 2,6-di-bromo-4-methyl-benzo-nitrile and 2,6-di-bromo-4-methyl-phenyl isocyanide.","Acta crystallographica. Section E, Crystallographic communications","2017","73","Pt 12","1913","1916","10.1107/S2056989017016395","","","1.54178","CuKα","","0.0201","0.0201","","","0.0571","0.0571","","","","","","1.27","","","","has coordinates","245963","2020-10-21","18:00:00",""
"2311535","14.69","0.005","14.69","0.005","4.0703","0.0015","90","","90","","90","","878.4","0.5","173","2","173","2","","","","","","","","4","P -4 21 m","P -4 2ab","113","RNC","2,6-Dibromo-4-methylphenyl isocyanide","","- C8 H5 Br2 N -","- C8 H5 Br2 N -","- C32 H20 Br8 N4 -","4","0.5","","Noland, Wayland E.; Shudy, Jessica E.; Rieger, Janel L.; Tu, Zoe H.; Tritch, Kenneth J.","Crystal structures of 2,6-di-bromo-4-methyl-benzo-nitrile and 2,6-di-bromo-4-methyl-phenyl isocyanide.","Acta crystallographica. Section E, Crystallographic communications","2017","73","Pt 12","1913","1916","10.1107/S2056989017016395","","","0.71073","MoKα","","0.0267","0.0232","","","0.05","0.0508","","","","","","1.141","","","","has coordinates","245963","2020-10-21","18:00:00",""
"2311536","21.577","0.011","3.5533","0.0018","16.096","0.008","90","","90","","90","","1234.1","1.1","100","2","100","2","","","","","","","","4","P n a 21","P 2c -2n","33","","1<i>H</i>-Imidazol-3-ium 2,4,6-trinitrophenolate monohydrate","","- C9 H9 N5 O8 -","- C9 H9 N5 O8 -","- C36 H36 N20 O32 -","4","1","LH5861","Liu, Ling-Li","Stoichiometric and polymorphic salt of imidazolium picrate monohydrate.","Acta crystallographica. Section E, Crystallographic communications","2017","73","Pt 12","1885","1888","10.1107/S2056989017016401","","","0.71073","MoKα","","0.0429","0.0346","","","0.0817","0.0863","","","","","","1.036","","","","has coordinates","245964","2020-10-21","18:00:00",""
"2311537","11.419","0.002","13.363","0.002","12.119","0.002","90","","106.226","0.004","90","","1775.6","0.5","298","2","298","2","","","","","","","","7","C 1 2/c 1","-C 2yc","15","","<i>catena</i>-Poly[[dichloridobis(methanol-κ<i>O</i>)cobalt(II)]-μ-bis(pyridin-3-ylmethyl)sulfane-κ^2^<i>N</i>:<i>N</i>']","","- C14 H20 Cl2 Co N2 O2 S -","- C14 H20 Cl2 Co N2 O2 S -","- C56 H80 Cl8 Co4 N8 O8 S4 -","4","0.5","","Moon, Suk-Hee; Seo, Joobeom; Park, Ki-Min","Crystal structure of a zigzag Co<sup>II</sup> coordination polymer: <i>catena</i>-poly[[di-chlorido-bis-(methanol-κ<i>O</i>)cobalt(II)]-μ-bis-(pyridin-3-ylmeth-yl)sulfane-κ<sup>2</sup><i>N</i>:<i>N</i>'].","Acta crystallographica. Section E, Crystallographic communications","2017","73","Pt 12","1882","1884","10.1107/S2056989017016449","","","0.71073","MoKα","","0.1278","0.0467","","","0.0772","0.0951","","","","","","0.919","","","","has coordinates","245965","2020-10-21","18:00:00",""
"2311538","19.5319","0.0004","26.6614","0.0004","19.8681","0.0003","90","","90","","90","","10346.3","0.3","153","2","153","2","","","","","","","","6","P b c a","-P 2ac 2ab","61","","Bis(3,5-diisopropyl-1<i>H</i>-pyrazole)[hydrotris(3,5-diisopropylpyrazolyl)borato]iodidoeuropium(II)","","- C45 H78 B Eu I N10 -","- C45 H78 B Eu I N10 -","- C360 H624 B8 Eu8 I8 N80 -","8","1","ZL2718","Liebing, Phil; Kühling, Marcel; Takats, Josef; Hilfert, Liane; Edelmann, Frank T.","Formation and structural characterization of a europium(II) mono(scorpionate) complex and a sterically crowded pyraza-bole.","Acta crystallographica. Section E, Crystallographic communications","2017","73","Pt 12","1921","1925","10.1107/S2056989017016498","","","0.71073","MoKα","","0.0455","0.0313","","","0.0592","0.0631","","","","","","1.04","","","","has coordinates,has disorder","245966","2020-10-21","18:00:00",""
"2311539","25.7646","0.0011","11.2134","0.0003","15.0968","0.0007","90","","118.792","0.003","90","","3822.4","0.3","153","2","153","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","<i>trans</i>-4,8-Bis(3,5-diisopropylpyrazoly-1-yl)-1,3,5,7-tetraisopropylpyrazabole","","- C36 H62 B2 N8 -","- C36 H62 B2 N8 -","- C144 H248 B8 N32 -","4","0.5","","Liebing, Phil; Kühling, Marcel; Takats, Josef; Hilfert, Liane; Edelmann, Frank T.","Formation and structural characterization of a europium(II) mono(scorpionate) complex and a sterically crowded pyraza-bole.","Acta crystallographica. Section E, Crystallographic communications","2017","73","Pt 12","1921","1925","10.1107/S2056989017016498","","","0.71073","MoKα","","0.065","0.0435","","","0.096","0.1038","","","","","","1.021","","","","has coordinates,has disorder","245966","2020-10-21","18:00:00",""
"2311540","8.7271","0.0006","11.6521","0.0004","12.54","0.0008","90","","96.539","0.002","90","","1266.88","0.13","120","2","120","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","Buthalital (Bayinal, Baytinal, Thialbutal, Transithal, Ulbreval)","5-(2-Methylpropyl)-5-(prop-2-en-1-yl)-2-sulfanylidene-1,3-diazinane-4,6-dione","","- C11 H16 N2 O2 S -","- C11 H16 N2 O2 S -","- C44 H64 N8 O8 S4 -","4","1","DX2002","Gelbrich, Thomas; Griesser, Ulrich J.","Buthalital and methitural - 5,5-substituted derivatives of 2-thio-barbituric acid forming the same type of hydrogen-bonded chain.","Acta crystallographica. Section E, Crystallographic communications","2017","73","Pt 12","1908","1912","10.1107/S205698901701653X","","","0.71073","MoKα","","0.0736","0.0452","","","0.0968","0.1076","","","","","","1.042","","","","has coordinates","245967","2020-10-21","18:00:00",""
"2311541","15.1873","0.0002","9.092","0.0001","20.8684","0.0003","90","","96.083","0.001","90","","2865.34","0.06","120","2","120","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","Methitural (Neraval, Thiogenal)","5-(1-Methylbutyl)-5-[2-(methylsulfanyl)ethyl]-2-sulfanylidene-1,3-diazinane-4,6-dione","","- C12 H20 N2 O2 S2 -","- C12 H20 N2 O2 S2 -","- C96 H160 N16 O16 S16 -","8","1","DX2002","Gelbrich, Thomas; Griesser, Ulrich J.","Buthalital and methitural - 5,5-substituted derivatives of 2-thio-barbituric acid forming the same type of hydrogen-bonded chain.","Acta crystallographica. Section E, Crystallographic communications","2017","73","Pt 12","1908","1912","10.1107/S205698901701653X","","","0.71073","MoKα","","0.0417","0.0384","","","0.0818","0.0836","","","","","","1.142","","","","has coordinates","245967","2020-10-21","18:00:00",""
"2311542","8.8803","0.0007","10.0871","0.0008","11.7586","0.001","97.298","0.002","98.464","0.002","98.234","0.002","1019.21","0.14","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","<i>cis</i>-1-Phenyl-8-(pyridin-2-ylmethyl)dibenzo[1,2-<i>c</i>:2,1-<i>h</i>]-2,14-dioxa-8-aza-1-borabicyclo[4.4.0]deca-3,8-diene","","- C26 H23 B N2 O2 -","- C26 H23 B N2 O2 -","- C52 H46 B2 N4 O4 -","2","1","RZ5224","Ledesma, Gabriela; Signorella, Sandra; Back, Davi; Schulz Lang, Ernesto","Crystal structure of <i>cis</i>-1-phenyl-8-(pyridin-2-ylmeth-yl)dibenzo[1,2-<i>c</i>:2,1-<i>h</i>]-2,14-dioxa-8-aza-1-borabi-cyclo-[4.4.0]deca-3,8-diene.","Acta crystallographica. Section E, Crystallographic communications","2017","73","Pt 12","1917","1920","10.1107/S2056989017016553","","","0.71073","MoKα","","0.1478","0.0591","","","","0.1153","","","","","","0.924","","","","has coordinates","245968","2020-10-21","18:00:00",""
"2311543","13.5411","0.0004","7.7421","0.0002","19.2457","0.0005","90","","130.493","0.002","90","","1534.4","0.09","190","2","190","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","3,6,6-Trimethyl-4-oxo-1-(pyridin-2-yl)-4,5,6,7-tetrahydro-1<i>H</i>-indazol-7-aminium chloride","","- C15 H19 Cl N4 O -","- C15 H19 Cl N4 O -","- C60 H76 Cl4 N16 O4 -","4","1","EB2002","Mishnev, Anatoly; Mengots, Alvis; Turks, Māris","Crystal structure of 3,6,6-trimethyl-4-oxo-1-(pyridin-2-yl)-4,5,6,7-tetra-hydro-1<i>H</i>-indazol-7-aminium chloride and its monohydrate.","Acta crystallographica. Section E, Crystallographic communications","2017","73","Pt 12","1931","1936","10.1107/S205698901701667X","","","0.71073","MoKα","","0.0623","0.0427","","","0.093","0.1012","","","","","","1.032","","","","has coordinates","245969","2020-10-21","18:00:00",""
"2311544","10.1855","0.0002","7.4951","0.0002","20.7961","0.0004","90","","100.545","0.001","90","","1560.79","0.06","190","2","190","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","3,6,6-Trimethyl-4-oxo-1-(pyridin-2-yl)-4,5,6,7-tetrahydro-1<i>H</i>-indazol-7-aminium chloride monohydrate","","- C15 H21 Cl N4 O2 -","- C15 H21 Cl N4 O2 -","- C60 H84 Cl4 N16 O8 -","4","1","EB2002","Mishnev, Anatoly; Mengots, Alvis; Turks, Māris","Crystal structure of 3,6,6-trimethyl-4-oxo-1-(pyridin-2-yl)-4,5,6,7-tetra-hydro-1<i>H</i>-indazol-7-aminium chloride and its monohydrate.","Acta crystallographica. Section E, Crystallographic communications","2017","73","Pt 12","1931","1936","10.1107/S205698901701667X","","","0.71073","MoKα","","0.0529","0.0387","","","0.0941","0.1022","","","","","","1.059","","","","has coordinates","245969","2020-10-21","18:00:00",""
"2311545","8.9799","0.0004","8.9799","0.0004","32.555","0.003","90","","90","","90","","2625.2","0.3","100","2","100","2","","","","","","","","7","I -4","I -4","82","","Bis{μ~2~-2,2'-[(4,10-dimethyl-1,4,7,10-tetraazacyclododecane-1,7-diyl)bis(methylene)]bis(4-oxo-4<i>H</i>-pyran-3-olato)}dicobaltcalcium bis(perchlorate) 1.36-hydrate","","- C44 H60 Ca Cl2 Co2 N8 O21.36 -","- C44 H60 Ca Cl2 Co2 N8 O21.36 -","- C88 H120 Ca2 Cl4 Co4 N16 O42.72 -","2","0.25","XI2003","Rossi, Patrizia; Macedi, Eleonora; Paoli, Paola; Giorgi, Luca; Formica, Mauro; Fusi, Vieri","Crystal structure of bis-{μ<sub>2</sub>-2,2'-[(4,10-dimethyl-1,4,7,10-tetra-aza-cyclo-dodecane-1,7-di-yl)bis(meth-yl-ene)]bis-(4-oxo-4<i>H</i>-pyran-3-olato)}dicobalt-calcium bis-(perchlorate) 1.36-hydrate.","Acta crystallographica. Section E, Crystallographic communications","2017","73","Pt 12","1959","1965","10.1107/S2056989017016693","","","0.71073","MoKα","","0.0888","0.0427","","","0.073","0.0814","","","","","","0.858","","","","has coordinates","245970","2020-10-21","18:00:00",""
"2311546","12.5753","0.0002","14.4054","0.0003","14.8668","0.0003","117.068","0.0005","101.934","0.0006","97.2102","0.0006","2270.58","0.08","173","2","173","2","","","","","","","","6","P -1","-P 1","2","","<i>mer</i>-Tris{2,6-difluoro-3-[5-(2-fluorophenyl)pyridin-2-yl-κ<i>N</i>]pyridin-4-yl-κ<i>C</i>^4^}iridium(III) dichloromethane hemisolvate <i>n</i>-hexane hemisolvate","","- C54.5 H41 Cl F6 Ir N6 -","- C54.5 H41 Cl F6 Ir N6 -","- C109 H82 Cl2 F12 Ir2 N12 -","2","1","","Kang, Youngjin; Park, Ki-Min; Kim, Jinho","Crystal structure of <i>mer</i>-tris-{2,6-di-fluoro-3-[5-(2-fluoro-phen-yl)pyridin-2-yl-κ<i>N</i>]pyridin-4-yl-κ<i>C</i><sup>4</sup>}iridium(III) di-chloro-methane hemisolvate <i>n</i>-hexane hemisolvate.","Acta crystallographica. Section E, Crystallographic communications","2017","73","Pt 12","1952","1955","10.1107/S2056989017016759","","","0.71073","MoKα","","0.0342","0.0302","","","0.0778","0.0801","","","","","","1.038","","","","has coordinates","245971","2020-10-21","18:00:00",""
"2311547","12.9597","0.0012","31.548","0.003","3.8219","0.0004","90","","90","","90","","1562.6","0.3","100","2","100","2","","","","","","","","3","P n m a","-P 2ac 2n","62","","","","- C20 H14 O6 -","- C20 H14 O6 -","- C80 H56 O24 -","4","0.5","SU5407","Solomos, Marina A.; Bertke, Jeffery A.; Swift, Jennifer A.","Crystal structure of a di-aryl carbonate: 1,3-phenyl-ene bis-(phenyl carbonate).","Acta crystallographica. Section E, Crystallographic communications","2017","73","Pt 12","1942","1945","10.1107/S2056989017016772","","","0.71073","MoKα","","0.0476","0.0395","","","0.0891","0.0925","","","","","","1.164","","","","has coordinates","245972","2020-10-21","18:00:00",""
"2311548","6.689","0.005","13.809","0.005","10.62","0.005","90","","101.271","0.005","90","","962","0.9","293","2","293","2","","","","","","","","5","P 1 21 1","P 2yb","4","2,2':6',2''-Terpyridine-1,1',1''-triium tetrachloridonickelate(II) chloride","","","- C15 H14 Cl5 N3 Ni -","- C15 H14 Cl5 N3 Ni -","- C30 H28 Cl10 N6 Ni2 -","2","1","ZS2392","Zeghouan, Ouahida; Bendjeddou, Lamia; Merazig, Hocine; Daran, Jean Claude","Crystal structure, thermal and fluorescence properties of 2,2':6',2''-terpyridine-1,1',1''-triium tetra-chlorido-nickelate(II) chloride.","Acta crystallographica. Section E, Crystallographic communications","2017","73","Pt 12","1937","1941","10.1107/S2056989017016784","","","0.71073","MoKα","","0.0899","0.0585","","","0.1309","0.1495","","","","","","1.148","","","","has coordinates","245973","2020-10-21","18:00:00",""
"2311549","7.867","0.001","10.34","0.001","10.997","0.002","84.96","0.01","75.46","0.01","81.13","0.01","854.4","0.2","293","2","293","2","","","","","","","","6","P -1","-P 1","2","","(<i>E</i>)-<i>N</i>-{2-[2-(2-Chlorobenzylidene)hydrazinyl]-2-oxoethyl}-4-methylbenzenesulfonamide","","- C16 H16 Cl N3 O3 S -","- C16 H16 Cl N3 O3 S -","- C32 H32 Cl2 N6 O6 S2 -","2","1","RZ5225","Purandara, H.; Foro, Sabine; Thimme Gowda, B.","Crystal structures of three <i>ortho</i>-substituted <i>N</i>-acyl-hydrazone derivatives.","Acta crystallographica. Section E, Crystallographic communications","2017","73","Pt 12","1946","1951","10.1107/S2056989017016814","","","0.71073","MoKα","","0.0873","0.0624","","","0.1174","0.1312","","","","","","1.293","","","","has coordinates","245974","2020-10-21","18:00:00",""
"2311550","7.984","0.001","10.32","0.002","11.081","0.002","85.17","0.01","74.89","0.01","81.14","0.01","870","0.3","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","(<i>E</i>)-<i>N</i>-{2-[2-(2-Methylbenzylidene)hydrazinyl]-2-oxoethyl}-4-methylbenzenesulfonamide","","- C17 H19 N3 O3 S -","- C17 H19 N3 O3 S -","- C34 H38 N6 O6 S2 -","2","1","RZ5225","Purandara, H.; Foro, Sabine; Thimme Gowda, B.","Crystal structures of three <i>ortho</i>-substituted <i>N</i>-acyl-hydrazone derivatives.","Acta crystallographica. Section E, Crystallographic communications","2017","73","Pt 12","1946","1951","10.1107/S2056989017016814","","","0.71073","MoKα","","0.0941","0.0533","","","0.1195","0.1411","","","","","","1.048","","","","has coordinates","245974","2020-10-21","18:00:00",""
"2311551","8.006","0.001","10.229","0.001","11.181","0.002","83.76","0.01","72.86","0.01","82.13","0.01","864.5","0.2","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","(<i>E</i>)-<i>N</i>-{2-[2-(2-Nitrobenzylidene)hydrazinyl]-2-oxoethyl}-4-methylbenzenesulfonamide","","- C16 H16 N4 O5 S -","- C16 H16 N4 O5 S -","- C32 H32 N8 O10 S2 -","2","1","RZ5225","Purandara, H.; Foro, Sabine; Thimme Gowda, B.","Crystal structures of three <i>ortho</i>-substituted <i>N</i>-acyl-hydrazone derivatives.","Acta crystallographica. Section E, Crystallographic communications","2017","73","Pt 12","1946","1951","10.1107/S2056989017016814","","","0.71073","MoKα","","0.0897","0.0566","","","0.1151","0.131","","","","","","1.155","","","","has coordinates,has disorder","245974","2020-10-21","18:00:00",""
"2311552","21.7698","0.0004","10.7768","0.0002","22.2272","0.0004","90","","90","","90","","5214.7","0.17","296","2","296","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","Hexakis(μ-benzoato-κ^2^<i>O</i>:<i>O</i>')bis(pyridine-3-carbonitrile-κ<i>N</i>^1^)trizinc(II)","","- C54 H38 N4 O12 Zn3 -","- C54 H38 N4 O12 Zn3 -","- C216 H152 N16 O48 Zn12 -","4","0.5","NK2240","Hökelek, Tuncer; Özbek, Elif; Sertçelik, Mustafa; Şahin Yenice, Çiğdem; Necefoğlu, Hacali","Crystal structure and Hirshfeld surface analysis of hexa-kis-(μ-benzoato-κ<sup>2</sup><i>O</i>:<i>O</i>')bis-(pyridine-3-carbo-nitrile-κ<i>N</i><sup>1</sup>)trizinc(II).","Acta crystallographica. Section E, Crystallographic communications","2017","73","Pt 12","1966","1970","10.1107/S2056989017016899","","","0.71073","MoKα","","0.0836","0.0605","","","0.1219","0.1357","","","","","","1.252","","","","has coordinates","245975","2020-10-21","18:00:00",""
"2311553","8.804","0.0018","15.804","0.003","18.266","0.004","90","","98.78","0.03","90","","2511.7","0.9","293","2","293","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","Diethyl 3,3'-[(4-nitrophenyl)methylene]bis(1<i>H</i>-indole-2-carboxylate)","","- C29 H25 N3 O6 -","- C29 H25 N3 O6 -","- C116 H100 N12 O24 -","4","1","XU5911","Sun, Hong-Shun; Li, Yu-Long; Jiang, Hong; Chen, Yu-Liang; Hu, Ya-Di","Crystal structure of diethyl 3,3'-[(4-nitro-phen-yl)methyl-ene]bis-(1<i>H</i>-indole-2-carboxyl-ate).","Acta crystallographica. Section E, Crystallographic communications","2017","73","Pt 12","1956","1958","10.1107/S2056989017016929","","","0.71073","MoKα","","0.0957","0.0591","","","0.1454","0.1643","","","","","","1","","","","has coordinates","245976","2020-10-21","18:00:00",""
"2311554","7.9474","0.0003","27.3202","0.0009","6.3886","0.0002","90","","103.903","0.003","90","","1346.48","0.08","100","","100","","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","3-(4,4-Difluoro-5,7-dimethyl-4-bora-3a,4a-diaza-<i>s</i>-indacen-3-yl)propanoic acid","","- C14 H15 B F2 N2 O2 -","- C14 H15 B F2 N2 O2 -","- C56 H60 B4 F8 N8 O8 -","4","1","IS5481","Kato, Takuma; Doi, Mitsunobu","Crystal structure of 3-(4,4-di-fluoro-5,7-dimethyl-4-bora-3a,4a-di-aza-<i>s</i>-indacen-3-yl)propanoic acid.","Acta crystallographica. Section E, Crystallographic communications","2017","73","Pt 12","1974","1976","10.1107/S2056989017016942","","","1.54184","CuKα","","0.0376","0.0352","","","0.0917","0.093","","","","","","1.055","","","","has coordinates","245977","2020-10-21","18:00:00",""
"2311555","10.06","0.002","8.2538","0.0017","13.536","0.003","90","","104.479","0.01","90","","1088.2","0.4","100","2","100","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","Methyl 2-[5-(2-hydroxyphenyl)-2<i>H</i>-tetrazol-2-yl]acetate","","- C10 H10 N4 O3 -","- C10 H10 N4 O3 -","- C40 H40 N16 O12 -","4","1","","Lee, Seul Gi; Ryu, Ji Yeon; Lee, Junseong","Crystal structure of methyl 2-[5-(2-hy-droxy-phen-yl)-2<i>H</i>-tetra-zol-2-yl]acetate.","Acta crystallographica. Section E, Crystallographic communications","2017","73","Pt 12","1971","1973","10.1107/S205698901701698X","","","0.71073","MoKα","","0.1242","0.0565","","","0.11","0.1367","","","","","","1.015","","","","has coordinates,has disorder","245978","2020-10-21","18:00:00",""
"2311556","13.8416","0.0009","7.7686","0.0004","16.4076","0.0013","90","","111.845","0.009","90","","1637.6","0.2","200.05","0.1","200.05","0.1","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","<i>catena</i>-Poly[[[tetraaquairon(II)]-<i>trans</i>-μ-1,2-bis(pyridin-4-yl)ethene-κ^2^<i>N</i>:<i>N</i>'] bis(<i>p</i>-toluenesulfonate) methanol disolvate]","","- C28 H40 Fe N2 O12 S2 -","- C28 H40 Fe N2 O12 S2 -","- C56 H80 Fe2 N4 O24 S4 -","2","0.5","XU5910","Hiiuk, Volodymyr M.; Barakhty, Diana D.; Shova, Sergiu; Polunin, Ruslan A.; Gural'skiy, Il'ya A.","Crystal structure of <i>catena</i>-poly[[[tetra-aqua-iron(II)]-<i>trans</i>-μ-1,2-bis-(pyridin-4-yl)ethene-κ<sup>2</sup><i>N</i>:<i>N</i>'] bis-(<i>p</i>-toluene-sulfonate) methanol disolvate].","Acta crystallographica. Section E, Crystallographic communications","2017","73","Pt 12","1977","1980","10.1107/S2056989017017054","","","0.71073","MoKα","","0.0523","0.0407","","","0.091","0.0973","","","","","","1.063","","","","has coordinates","245979","2020-10-21","18:00:00",""
"2311696","9.7245","0.0004","10.1191","0.0004","17.5288","0.0007","87.839","0.003","80.433","0.004","70.331","0.004","1601.35","0.12","296","2","296","","","","","","","","","4","P -1","-P 1","2","","","","- C38 H24 I2 N4 -","- C38 H24 I2 N4 -","- C76 H48 I4 N8 -","2","1","AO5017","Wijethunga, Tharanga K.; Đaković, Marijana; Desper, John; Aakeröy, Christer B","A new tecton with parallel halogen-bond donors: a path to supramolecular rectangles.","Acta crystallographica Section B, Structural science, crystal engineering and materials","2017","73","Pt 2","163","167","10.1107/S2052520616016450","","","0.71073","MoKα","","0.0629","0.0382","","","0.0698","0.0782","","","","","","0.998","","","","has coordinates","246088","2020-10-21","18:00:00",""
"2311697","16.0411","0.0011","22.6435","0.0011","9.6728","0.0007","90","","102.322","0.007","90","","3432.5","0.4","296","2","296","","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C38 H24 I2 N8 -","- C38 H24 I2 N8 -","- C152 H96 I8 N32 -","4","0.5","","Wijethunga, Tharanga K.; Đaković, Marijana; Desper, John; Aakeröy, Christer B","A new tecton with parallel halogen-bond donors: a path to supramolecular rectangles.","Acta crystallographica Section B, Structural science, crystal engineering and materials","2017","73","Pt 2","163","167","10.1107/S2052520616016450","","","0.71073","MoKα","","0.0671","0.0382","","","0.0808","0.0921","","","","","","1.05","","","","has coordinates","246088","2020-10-21","18:00:00",""
"2311698","9.6027","0.0018","10.0523","0.0019","18.021","0.004","85.6","0.005","80.043","0.005","68.603","0.005","1595.1","0.6","120","2","120","2","","","","","","","","5","P -1","-P 1","2","","TW-10-45 1,8-di(iodoethynyl)anthracene, (4,4'-bipyridyl-1-oxide)2","","- C38 H24 I2 N4 O2 -","- C38 H24 I2 N4 O2 -","- C76 H48 I4 N8 O4 -","2","1","AO5017","Wijethunga, Tharanga K.; Đaković, Marijana; Desper, John; Aakeröy, Christer B","A new tecton with parallel halogen-bond donors: a path to supramolecular rectangles.","Acta crystallographica Section B, Structural science, crystal engineering and materials","2017","73","Pt 2","163","167","10.1107/S2052520616016450","","","0.71073","MoKα","","0.0411","0.0375","","","0.0929","0.0948","","","","","","1.129","","","","has coordinates","246088","2020-10-21","18:00:00",""
"2311699","9.5153","0.0016","9.6261","0.0016","14.368","0.003","96.346","0.005","93.215","0.005","103.295","0.004","1268.4","0.4","120","2","120","2","","","","","","","","4","P -1","-P 1","2","","TW-10-14 1,8-di(iodoethynyl)anthracene, 1,2-bis(4-pyridyl)ethane","","- C30 H20 I2 N2 -","- C30 H20 I2 N2 -","- C60 H40 I4 N4 -","2","1","","Wijethunga, Tharanga K.; Đaković, Marijana; Desper, John; Aakeröy, Christer B","A new tecton with parallel halogen-bond donors: a path to supramolecular rectangles.","Acta crystallographica Section B, Structural science, crystal engineering and materials","2017","73","Pt 2","163","167","10.1107/S2052520616016450","","","0.71073","MoKα","","0.0279","0.0254","","","0.066","0.0674","","","","","","1.071","","","","has coordinates","246088","2020-10-21","18:00:00",""
"2311700","14.4231","0.0012","13.6011","0.0011","13.4798","0.001","90","","109.397","0.003","90","","2494.2","0.3","120","2","120","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","TW-10-15 1,8-di(iodoethynyl)anthracene, 1,2-bis(4-pyridyl)ethylene","","- C30 H18 I2 N2 -","- C30 H18 I2 N2 -","- C120 H72 I8 N8 -","4","1","","Wijethunga, Tharanga K.; Đaković, Marijana; Desper, John; Aakeröy, Christer B","A new tecton with parallel halogen-bond donors: a path to supramolecular rectangles.","Acta crystallographica Section B, Structural science, crystal engineering and materials","2017","73","Pt 2","163","167","10.1107/S2052520616016450","","","0.71073","MoKα","","0.0949","0.058","","","0.1389","0.1619","","","","","","1.006","","","","has coordinates","246088","2020-10-21","18:00:00",""
"2311701","7.824","0.002","28.782","0.008","14.35","0.004","90","","90","","90","","3231.5","1.5","103","2","103","2","","","","","","","","4","P c a 21","P 2c -2ac","29","Compound_1","","","- C20 H12 Cl2 S2 -","- C20 H12 Cl2 S2 -","- C160 H96 Cl16 S16 -","8","2","XM5002","Tsubomoto, Yutaka; Hayashi, Satoko; Nakanishi, Waro; Sasamori, Takahiro; Tokitoh, Norihiro","Nature of E<sub>2</sub>X<sub>2</sub> σ(4c-6e) of the X—E-E—X type at naphthalene 1,8-positions and model, elucidated by X-ray crystallographic analysis and QC calculations with the QTAIM approach.","Acta crystallographica Section B, Structural science, crystal engineering and materials","2017","73","Pt 2","265","275","10.1107/S205252061700364X","","","0.7107","MoKα","","0.0203","0.0201","","","0.052","0.0522","","","","","","1.073","","","","has coordinates","246090","2020-10-21","18:00:00",""
"2311702","7.8933","0.0001","29.1713","0.0004","14.4594","0.0002","90","","90","","90","","3329.39","0.08","103","2","103","2","","","","","","","","4","P c a 21","P 2c -2ac","29","Compound_3","","","- C20 H12 Cl2 Se2 -","- C20 H12 Cl2 Se2 -","- C160 H96 Cl16 Se16 -","8","2","","Tsubomoto, Yutaka; Hayashi, Satoko; Nakanishi, Waro; Sasamori, Takahiro; Tokitoh, Norihiro","Nature of E<sub>2</sub>X<sub>2</sub> σ(4c-6e) of the X—E-E—X type at naphthalene 1,8-positions and model, elucidated by X-ray crystallographic analysis and QC calculations with the QTAIM approach.","Acta crystallographica Section B, Structural science, crystal engineering and materials","2017","73","Pt 2","265","275","10.1107/S205252061700364X","","","0.71069","MoKα","","0.0264","0.0243","","","0.0592","0.06","","","","","","1.058","","","","has coordinates","246090","2020-10-21","18:00:00",""
"2311703","7.8394","0.0001","8.0986","0.0002","15.065","0.0004","90.941","0.001","101.888","0.001","111.093","0.001","868.92","0.03","103","2","103","2","","","","","","","","4","P -1","-P 1","2","Compound_4","","","- C20 H12 Br2 Se2 -","- C20 H12 Br2 Se2 -","- C40 H24 Br4 Se4 -","2","1","","Tsubomoto, Yutaka; Hayashi, Satoko; Nakanishi, Waro; Sasamori, Takahiro; Tokitoh, Norihiro","Nature of E<sub>2</sub>X<sub>2</sub> σ(4c-6e) of the X—E-E—X type at naphthalene 1,8-positions and model, elucidated by X-ray crystallographic analysis and QC calculations with the QTAIM approach.","Acta crystallographica Section B, Structural science, crystal engineering and materials","2017","73","Pt 2","265","275","10.1107/S205252061700364X","","","0.71075","MoKα","","0.0432","0.0391","","","0.0788","0.0805","","","","","","1.198","","","","has coordinates","246090","2020-10-21","18:00:00",""
"2311704","5.146","0.001","5.146","0.001","13.859","0.005","90","","90","","120","","317.84","0.14","293","2","293","2","","","","","","","","3","R 3 c :H","R 3 -2""c","161","lithium niobate","lithium niobate","","- Li Nb O3 -","- Li Nb O3 -","- Li6 Nb6 O18 -","6","0.333333","BP5094","Huband, S.; Keeble, D. S.; Zhang, N.; Glazer, A. M.; Bartasyte, A.; Thomas, P. A.","Crystallographic and optical study of LiNb<sub>1 - x</sub>Ta<sub>x</sub>O<sub>3</sub>.","Acta crystallographica Section B, Structural science, crystal engineering and materials","2017","73","Pt 3","498","506","10.1107/S2052520617004711","","","0.71073","MoKα","","0.0211","0.021","","","0.0482","0.0483","","","","","","1.144","","","","has coordinates","246091","2020-10-21","18:00:00",""
"2311705","5.145","0.001","5.145","0.001","13.841","0.005","90","","90","","120","","317.3","0.14","293","2","293","2","","","","","","","","4","R 3 c :H","R 3 -2""c","161","lithium niobate tantalate","lithium niobate tantalate","","- Li Nb0.7 O3 Ta0.3 -","- Li Nb0.7 O3 Ta0.3 -","- Li6 Nb4.2 O18 Ta1.8 -","6","0.333333","","Huband, S.; Keeble, D. S.; Zhang, N.; Glazer, A. M.; Bartasyte, A.; Thomas, P. A.","Crystallographic and optical study of LiNb<sub>1 - x</sub>Ta<sub>x</sub>O<sub>3</sub>.","Acta crystallographica Section B, Structural science, crystal engineering and materials","2017","73","Pt 3","498","506","10.1107/S2052520617004711","","","0.71073","MoKα","","0.0247","0.0246","","","0.0607","0.0609","","","","","","1.214","","","","has coordinates","246091","2020-10-21","18:00:00",""
"2311706","5.147","0.001","5.147","0.001","13.834","0.005","90","","90","","120","","317.39","0.14","293","2","293","2","","","","","","","","4","R 3 c :H","R 3 -2""c","161","lithium niobate tantalate","lithium niobate tantalate","","- Li Nb0.47 O3 Ta0.53 -","- Li Nb0.47 O3 Ta0.53 -","- Li6 Nb2.82 O18 Ta3.18 -","6","0.333333","","Huband, S.; Keeble, D. S.; Zhang, N.; Glazer, A. M.; Bartasyte, A.; Thomas, P. A.","Crystallographic and optical study of LiNb<sub>1 - x</sub>Ta<sub>x</sub>O<sub>3</sub>.","Acta crystallographica Section B, Structural science, crystal engineering and materials","2017","73","Pt 3","498","506","10.1107/S2052520617004711","","","0.71073","MoKα","","0.0235","0.0235","","","0.0618","0.0618","","","","","","1.158","","","","has coordinates","246091","2020-10-21","18:00:00",""
"2311707","5.147","0.001","5.147","0.001","13.798","0.005","90","","90","","120","","316.56","0.14","294","2","294","2","","","","","","","","4","R 3 c :H","R 3 -2""c","161","lithium niobate tantalate","lithium niobate tantalate","","- Li Nb0.4 O3 Ta0.6 -","- Li Nb0.4 O3 Ta0.6 -","- Li6 Nb2.4 O18 Ta3.6 -","6","0.333333","","Huband, S.; Keeble, D. S.; Zhang, N.; Glazer, A. M.; Bartasyte, A.; Thomas, P. A.","Crystallographic and optical study of LiNb<sub>1 - x</sub>Ta<sub>x</sub>O<sub>3</sub>.","Acta crystallographica Section B, Structural science, crystal engineering and materials","2017","73","Pt 3","498","506","10.1107/S2052520617004711","","","0.71073","MoKα","","0.0145","0.0144","","","0.036","0.0362","","","","","","1.18","","","","has coordinates","246091","2020-10-21","18:00:00",""
"2311708","5.149","0.001","5.149","0.001","13.786","0.005","90","","90","","120","","316.53","0.14","294","1","294","1","","","","","","","","4","R 3 c :H","R 3 -2""c","161","lithium niobate tantalate","lithium niobate tantalate","","- Li Nb0.36 O3 Ta0.64 -","- Li Nb0.36 O3 Ta0.64 -","- Li6 Nb2.16 O18 Ta3.84 -","6","0.333333","","Huband, S.; Keeble, D. S.; Zhang, N.; Glazer, A. M.; Bartasyte, A.; Thomas, P. A.","Crystallographic and optical study of LiNb<sub>1 - x</sub>Ta<sub>x</sub>O<sub>3</sub>.","Acta crystallographica Section B, Structural science, crystal engineering and materials","2017","73","Pt 3","498","506","10.1107/S2052520617004711","","","0.71073","MoKα","","0.0161","0.0155","","","0.0411","0.0416","","","","","","1.22","","","","has coordinates","246091","2020-10-21","18:00:00",""
"2311709","5.151","0.001","5.151","0.001","13.776","0.005","90","","90","","120","","316.55","0.14","293","2","293","2","","","","","","","","4","R 3 c :H","R 3 -2""c","161","lithium niobate tantalate","lithium niobate tantalate","","- Li Nb0.11 O3 Ta0.89 -","- Li Nb0.11 O3 Ta0.89 -","- Li6 Nb0.66 O18 Ta5.34 -","6","0.333333","","Huband, S.; Keeble, D. S.; Zhang, N.; Glazer, A. M.; Bartasyte, A.; Thomas, P. A.","Crystallographic and optical study of LiNb<sub>1 - x</sub>Ta<sub>x</sub>O<sub>3</sub>.","Acta crystallographica Section B, Structural science, crystal engineering and materials","2017","73","Pt 3","498","506","10.1107/S2052520617004711","","","0.71073","MoKα","","0.017","0.0169","","","0.0423","0.0424","","","","","","1.226","","","","has coordinates","246091","2020-10-21","18:00:00",""
"2311710","5.149","0.001","5.149","0.001","13.781","0.005","90","","90","","120","","316.42","0.14","293","2","293","2","","","","","","","","4","R 3 c :H","R 3 -2""c","161","lithium niobate tantalate","lithium niobate tantalate","","- Li Nb0.08 O3 Ta0.92 -","- Li Nb0.08 O3 Ta0.92 -","- Li6 Nb0.48 O18 Ta5.52 -","6","0.333333","","Huband, S.; Keeble, D. S.; Zhang, N.; Glazer, A. M.; Bartasyte, A.; Thomas, P. A.","Crystallographic and optical study of LiNb<sub>1 - x</sub>Ta<sub>x</sub>O<sub>3</sub>.","Acta crystallographica Section B, Structural science, crystal engineering and materials","2017","73","Pt 3","498","506","10.1107/S2052520617004711","","","0.71073","MoKα","","0.0194","0.019","","","0.0473","0.0481","","","","","","1.147","","","","has coordinates","246091","2020-10-21","18:00:00",""
"2311711","5.148","0.001","5.148","0.001","13.767","0.005","90","","90","","120","","315.97","0.14","293","2","293","2","","","","","","","","3","R 3 c :H","R 3 -2""c","161","Lithium tantalate","Lithium tantalate","","- Li O3 Ta -","- Li O3 Ta -","- Li6 O18 Ta6 -","6","0.333333","","Huband, S.; Keeble, D. S.; Zhang, N.; Glazer, A. M.; Bartasyte, A.; Thomas, P. A.","Crystallographic and optical study of LiNb<sub>1 - x</sub>Ta<sub>x</sub>O<sub>3</sub>.","Acta crystallographica Section B, Structural science, crystal engineering and materials","2017","73","Pt 3","498","506","10.1107/S2052520617004711","","","0.71073","MoKα","","0.0166","0.0165","","","0.0437","0.044","","","","","","1.248","","","","has coordinates","246091","2020-10-21","18:00:00",""
"2311712","8.0917","0.0005","10.8937","0.0006","11.7949","0.0006","88.338","0.001","82.344","0.002","78.787","0.002","1010.76","0.1","296","2","296","2","","","","","","","","5","P -1","-P 1","2","","","","- C20 H19 F N8 O2 -","- C20 H19 F N8 O2 -","- C40 H38 F2 N16 O4 -","2","1","AO5027","Zhou, Xinbo; Hu, Xiurong; Gu, Jianming; Zhu, Jianrong","Comparison of the crystal structures and thermochemistry of a novel soluble guanylate cyclase stimulator riociguat and its solvates.","Acta crystallographica Section B, Structural science, crystal engineering and materials","2017","73","Pt 5","891","898","10.1107/S2052520617006011","","","0.71073","MoKα","","0.0818","0.0455","","","0.1001","0.1433","","","","","","1.001","","","","has coordinates","246092","2020-10-21","18:00:00",""
"2311713","8.4657","0.0005","11.4408","0.0008","13.1812","0.0009","112.419","0.002","90.914","0.003","93.446","0.002","1176.99","0.14","296","2","296","2","","","","","","","","5","P -1","-P 1","2","","","","- C22 H22 F N9 O2 -","- C22 H22 F N9 O2 -","- C44 H44 F2 N18 O4 -","2","1","AO5027","Zhou, Xinbo; Hu, Xiurong; Gu, Jianming; Zhu, Jianrong","Comparison of the crystal structures and thermochemistry of a novel soluble guanylate cyclase stimulator riociguat and its solvates.","Acta crystallographica Section B, Structural science, crystal engineering and materials","2017","73","Pt 5","891","898","10.1107/S2052520617006011","","","0.71073","MoKα","","0.0936","0.0544","","","0.1337","0.1599","","","","","","1.003","","","","has coordinates","246092","2020-10-21","18:00:00",""
"2311714","10.6703","0.0007","13.422","0.0009","16.9095","0.0012","73.92","0.003","74.788","0.002","83.294","0.002","2242.9","0.3","296","2","296","2","","","","","","","","5","P -1","-P 1","2","","","","- C21.5 H22.5 F N8.5 O2.5 -","- C21.5 H22.5 F N8.5 O2.5 -","- C86 H90 F4 N34 O10 -","4","2","AO5027","Zhou, Xinbo; Hu, Xiurong; Gu, Jianming; Zhu, Jianrong","Comparison of the crystal structures and thermochemistry of a novel soluble guanylate cyclase stimulator riociguat and its solvates.","Acta crystallographica Section B, Structural science, crystal engineering and materials","2017","73","Pt 5","891","898","10.1107/S2052520617006011","","","0.71073","MoKα","","0.1646","0.0852","","","0.1896","0.2314","","","","","","1.002","","","","has coordinates","279947","2022-12-20","10:58:45",""
"2311715","13.1749","0.0008","13.7062","0.0009","14.4719","0.001","70.217","0.002","72.912","0.001","70.776","0.003","2272.5","0.3","296","2","296","2","","","","","","","","5","P -1","-P 1","2","","","","- C20 H19 F N8 O2 -","- C20 H19 F N8 O2 -","- C80 H76 F4 N32 O8 -","4","2","AO5027","Zhou, Xinbo; Hu, Xiurong; Gu, Jianming; Zhu, Jianrong","Comparison of the crystal structures and thermochemistry of a novel soluble guanylate cyclase stimulator riociguat and its solvates.","Acta crystallographica Section B, Structural science, crystal engineering and materials","2017","73","Pt 5","891","898","10.1107/S2052520617006011","","","0.71073","MoKα","","0.2358","0.0989","","","0.2445","0.3147","","","","","","1.004","","","","has coordinates","246092","2020-10-21","18:00:00",""
"2311716","16.2448","0.0004","16.2448","0.0004","44.017","0.008","90","","90","","120","","10059.6","1.9","743","","743","","","","","","","","","2","P -3 1 c","-P 3 2c","163","","","","- Cu3.313 Si -","- Cu3.31252 Si -","- Cu636.004 Si192 -","192","16","BP5097","Corrêa, Cinthia Antunes; Perez, Olivier; Kopeček, Jaromír; Brázda, Petr; Klementová, Mariana; Palatinus, Lukáš","Crystal structures of η''-Cu<sub>3+x</sub>Si and η'''-Cu<sub>3+x</sub>Si.","Acta crystallographica Section B, Structural science, crystal engineering and materials","2017","73","Pt 4","767","774","10.1107/S2052520617006163","","","0.71073","MoKα","","0.5448","0.1503","","","0.1468","0.1593","","","","","","2.35","","","","has coordinates","246093","2020-10-21","18:00:00",""
"2311717","56.98","0.0003","56.98","0.0003","44.055","0.002","90","","90","","120","","123871","6","393","","393","","","","","","","","","2","P -3","-P 3","147","","","","- Cu3.311 Si -","- Cu3.31123 Si -","- Cu7788 Si2352 -","2352","392","BP5097","Corrêa, Cinthia Antunes; Perez, Olivier; Kopeček, Jaromír; Brázda, Petr; Klementová, Mariana; Palatinus, Lukáš","Crystal structures of η''-Cu<sub>3+x</sub>Si and η'''-Cu<sub>3+x</sub>Si.","Acta crystallographica Section B, Structural science, crystal engineering and materials","2017","73","Pt 4","767","774","10.1107/S2052520617006163","","","0.71073","MoKα","","0.2613","0.1192","","","0.1308","0.1366","","","","","","2.93","","","","has coordinates","246093","2020-10-21","18:00:00",""
"2311718","13.1442","0.0008","13.9946","0.0008","6.4272","0.0003","90","","90","","90","","1182.27","0.11","220","","220","","","","","","","","","5","P b m a","-P 2a 2ab","57","","Tetramethylammonium tetrachloroferrate(III)","","- C4 H12 Cl4 Fe N -","- C4 H12 Cl4 Fe N -","- C16 H48 Cl16 Fe4 N4 -","4","0.5","","Binns, Jack; McIntyre, Garry J.; Barreda-Argüeso, José A; González, Jesús; Aguado, Fernando; Rodríguez, Fernando; Valiente, Rafael; Parsons, Simon","Phase transition sequences in tetramethylammonium tetrachlorometallates by X-ray diffraction and spectroscopic measurements.","Acta crystallographica Section B, Structural science, crystal engineering and materials","2017","73","Pt 5","844","855","10.1107/S2052520617006412","","","0.71073","MoKα","","0.05","0.0391","","0.074","0.0711","0.074","","","","","","0.9999","","","","has coordinates","246094","2020-10-21","18:00:00",""
"2311719","13.1361","0.001","14.0158","0.0011","6.4831","0.0005","90","","90","","90","","1193.62","0.16","260","","260","","","","","","","","","5","P b m a","-P 2a 2ab","57","","Tetramethylammonium tetrachloroferrate(III)","","- C4 H12 Cl4 Fe N -","- C4 H12 Cl4 Fe N -","- C16 H48 Cl16 Fe4 N4 -","4","0.5","","Binns, Jack; McIntyre, Garry J.; Barreda-Argüeso, José A; González, Jesús; Aguado, Fernando; Rodríguez, Fernando; Valiente, Rafael; Parsons, Simon","Phase transition sequences in tetramethylammonium tetrachlorometallates by X-ray diffraction and spectroscopic measurements.","Acta crystallographica Section B, Structural science, crystal engineering and materials","2017","73","Pt 5","844","855","10.1107/S2052520617006412","","","0.71073","MoKα","","0.0674","0.0503","","0.1125","0.1063","0.1125","","","","","","1","","","","has coordinates","246094","2020-10-21","18:00:00",""
"2311720","6.4471","0.0005","14.2753","0.0011","6.4526","0.0005","90","","90","","90","","593.86","0.08","295","","295","","","","","","","","","5","P b m 2","P 2 -2b","28","","Tetramethylammonium tetrachloroferrate(III)","","- C4 H12 Cl4 Fe N -","- C4 H12 Cl4 Fe N -","- C8 H24 Cl8 Fe2 N2 -","2","0.5","","Binns, Jack; McIntyre, Garry J.; Barreda-Argüeso, José A; González, Jesús; Aguado, Fernando; Rodríguez, Fernando; Valiente, Rafael; Parsons, Simon","Phase transition sequences in tetramethylammonium tetrachlorometallates by X-ray diffraction and spectroscopic measurements.","Acta crystallographica Section B, Structural science, crystal engineering and materials","2017","73","Pt 5","844","855","10.1107/S2052520617006412","","","0.71073","MoKα","","0.0612","0.0581","","0.1301","0.1282","0.1301","","","","","","0.9587","","","","has coordinates","246094","2020-10-21","18:00:00",""
"2311721","6.425","0.003","7.148","0.0016","6.4274","0.0018","90","","91.21","0.03","90","","295.12","0.17","318","","318","","","","","","","","","5","P 1 m 1","P -2y","6","","Tetramethylammonium tetrachloroferrate(III)","","- C4 H12 Cl4 Fe N -","- C4 Cl4 Fe N -","- C4 Cl4 Fe N -","1","0.5","","Binns, Jack; McIntyre, Garry J.; Barreda-Argüeso, José A; González, Jesús; Aguado, Fernando; Rodríguez, Fernando; Valiente, Rafael; Parsons, Simon","Phase transition sequences in tetramethylammonium tetrachlorometallates by X-ray diffraction and spectroscopic measurements.","Acta crystallographica Section B, Structural science, crystal engineering and materials","2017","73","Pt 5","844","855","10.1107/S2052520617006412","","","0.71073","MoKα","","0.0782","0.0711","","0.1864","0.1822","0.1864","","","","","","0.9353","","","","has coordinates","246094","2020-10-21","18:00:00",""
"2311722","6.574","0.003","14.156","0.007","6.595","0.003","90","","93.87","0.04","90","","612.3","0.5","365","","365","","","","","","","","","5","P 1 21/m 1","-P 2yb","11","","tetramethylammonium tetrachloroferrate(III)","","- C4 H12 Cl4 Fe N -","- C4 Cl4 Fe N -","- C8 Cl8 Fe2 N2 -","2","0.5","","Binns, Jack; McIntyre, Garry J.; Barreda-Argüeso, José A; González, Jesús; Aguado, Fernando; Rodríguez, Fernando; Valiente, Rafael; Parsons, Simon","Phase transition sequences in tetramethylammonium tetrachlorometallates by X-ray diffraction and spectroscopic measurements.","Acta crystallographica Section B, Structural science, crystal engineering and materials","2017","73","Pt 5","844","855","10.1107/S2052520617006412","","","0.71073","MoKα","","0.133","0.119","","0.2057","0.2006","0.2055","","","","","","1.045","","","","has coordinates","246094","2020-10-21","18:00:00",""
"2311723","6.847","0.0005","6.847","0.0005","6.847","0.0005","90","","90","","90","","321","0.04","365","","365","","","","","","","","","4","P m -3 m","-P 4 2 3","221","","tetramethylammonium tetrachloroferrate(III)","","- C4 Cl4 Fe N -","- C4 Cl4 Fe N -","- C4 Cl4 Fe N -","1","0.0208333","","Binns, Jack; McIntyre, Garry J.; Barreda-Argüeso, José A; González, Jesús; Aguado, Fernando; Rodríguez, Fernando; Valiente, Rafael; Parsons, Simon","Phase transition sequences in tetramethylammonium tetrachlorometallates by X-ray diffraction and spectroscopic measurements.","Acta crystallographica Section B, Structural science, crystal engineering and materials","2017","73","Pt 5","844","855","10.1107/S2052520617006412","","","0.71073","MoKα","","0.0981","0.0981","","0.138","0.138","0.138","","","","","","0.9907","","","","has coordinates","246094","2020-10-21","18:00:00",""
"2311724","6.282","0.0004","14.0388","0.0008","12.8067","0.0008","90","","90","","90","","1129.45","0.12","100","","100","","","","","","","","","5","P c m b","-P 2bc 2c","57","","tetramethylammonium tetrachlorogallate","","- C4 H12 Cl4 Ga N -","- C4 H12 Cl4 Ga N -","- C16 H48 Cl16 Ga4 N4 -","4","0.5","","Binns, Jack; McIntyre, Garry J.; Barreda-Argüeso, José A; González, Jesús; Aguado, Fernando; Rodríguez, Fernando; Valiente, Rafael; Parsons, Simon","Phase transition sequences in tetramethylammonium tetrachlorometallates by X-ray diffraction and spectroscopic measurements.","Acta crystallographica Section B, Structural science, crystal engineering and materials","2017","73","Pt 5","844","855","10.1107/S2052520617006412","","","0.71073","MoKα","","0.0576","0.054","","0.1334","0.1323","0.1334","","","","","","0.9991","","","","has coordinates","246094","2020-10-21","18:00:00",""
"2311725","12.8303","0.0004","14.0961","0.0004","6.3359","0.0002","90","","90","","90","","1145.89","0.06","180","","180","","","","","","","","","5","P b m a","-P 2a 2ab","57","","tetramethylammonium tetrachlorogallate","","- C4 H12 Cl4 Ga N -","- C4 H12 Cl4 Ga N -","- C16 H48 Cl16 Ga4 N4 -","4","0.5","","Binns, Jack; McIntyre, Garry J.; Barreda-Argüeso, José A; González, Jesús; Aguado, Fernando; Rodríguez, Fernando; Valiente, Rafael; Parsons, Simon","Phase transition sequences in tetramethylammonium tetrachlorometallates by X-ray diffraction and spectroscopic measurements.","Acta crystallographica Section B, Structural science, crystal engineering and materials","2017","73","Pt 5","844","855","10.1107/S2052520617006412","","","0.71073","MoKα","","0.0414","0.0399","","0.0914","0.0912","0.0914","","","","","","0.9773","","","","has coordinates","246094","2020-10-21","18:00:00",""
"2311726","12.8329","0.0007","14.1248","0.0004","6.3718","0.0003","90","","90","","90","","1154.97","0.09","226","","226","","","","","","","","","5","P b m a","-P 2a 2ab","57","","tetramethylammonium tetrachlorogallate","","- C4 H12 Cl4 Ga N -","- C4 H12 Cl4 Ga N -","- C16 H48 Cl16 Ga4 N4 -","4","0.5","","Binns, Jack; McIntyre, Garry J.; Barreda-Argüeso, José A; González, Jesús; Aguado, Fernando; Rodríguez, Fernando; Valiente, Rafael; Parsons, Simon","Phase transition sequences in tetramethylammonium tetrachlorometallates by X-ray diffraction and spectroscopic measurements.","Acta crystallographica Section B, Structural science, crystal engineering and materials","2017","73","Pt 5","844","855","10.1107/S2052520617006412","","","0.71073","MoKα","","0.0478","0.0464","","0.0941","0.094","0.0941","","","","","","1","","","","has coordinates","246094","2020-10-21","18:00:00",""
"2311727","12.8736","0.0003","14.1743","0.0003","6.4043","0.0002","90","","90","","90","","1168.62","0.05","249","","249","","","","","","","","","5","P b m a","-P 2a 2ab","57","","tetramethylammonium tetrachlorogallate","","- C4 H12 Cl4 Ga N -","- C4 H12 Cl4 Ga N -","- C16 H48 Cl16 Ga4 N4 -","4","0.5","","Binns, Jack; McIntyre, Garry J.; Barreda-Argüeso, José A; González, Jesús; Aguado, Fernando; Rodríguez, Fernando; Valiente, Rafael; Parsons, Simon","Phase transition sequences in tetramethylammonium tetrachlorometallates by X-ray diffraction and spectroscopic measurements.","Acta crystallographica Section B, Structural science, crystal engineering and materials","2017","73","Pt 5","844","855","10.1107/S2052520617006412","","","0.71073","MoKα","","0.0543","0.051","","0.1055","0.1052","0.1055","","","","","","1","","","","has coordinates","246094","2020-10-21","18:00:00",""
"2311728","6.4571","0.0005","7.1456","0.0005","6.4596","0.0006","90","","91.721","0.008","90","","297.91","0.04","300","","300","","","","","","","","","5","P 1 m 1","P -2y","6","","Tetramethylammonium tetrachlorogallate(III)","","- C4 H12 Cl4 Ga N -","- C4 Cl4 Ga N -","- C4 Cl4 Ga N -","1","0.5","","Binns, Jack; McIntyre, Garry J.; Barreda-Argüeso, José A; González, Jesús; Aguado, Fernando; Rodríguez, Fernando; Valiente, Rafael; Parsons, Simon","Phase transition sequences in tetramethylammonium tetrachlorometallates by X-ray diffraction and spectroscopic measurements.","Acta crystallographica Section B, Structural science, crystal engineering and materials","2017","73","Pt 5","844","855","10.1107/S2052520617006412","","","0.71073","MoKα","","0.0432","0.0425","","0.0995","0.0989","0.0995","","","","","","0.9828","","","","has coordinates","246094","2020-10-21","18:00:00",""
"2311729","6.8504","0.0004","6.8504","0.0004","6.8504","0.0004","90","","90","","90","","321.48","0.03","393","","393","","","","","","","","","4","P m -3 m","-P 4 2 3","221","","Tetramethylammonium tetrachlorogallate(III)","","- C4 Cl4 Ga N -","- C4 Cl4 Ga N -","- C4 Cl4 Ga N -","1","0.0208333","","Binns, Jack; McIntyre, Garry J.; Barreda-Argüeso, José A; González, Jesús; Aguado, Fernando; Rodríguez, Fernando; Valiente, Rafael; Parsons, Simon","Phase transition sequences in tetramethylammonium tetrachlorometallates by X-ray diffraction and spectroscopic measurements.","Acta crystallographica Section B, Structural science, crystal engineering and materials","2017","73","Pt 5","844","855","10.1107/S2052520617006412","","","0.71073","MoKα","","0.0951","0.0951","","0.1549","0.1549","0.1549","","","","","","0.9988","","","","has coordinates","246094","2020-10-21","18:00:00",""
"2311730","4.7514","0.001","7.5719","0.0016","9.9414","0.0002","90","","90.015","0.0036","90","","357.66","0.11","120","","120","","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- Be2 Ca0.55 Ce0.2 Fe0.57 O10 Si2 Y1.25 -","- Be2 Ca0.55 Ce0.2 Fe0.57 O10 Si2 Y1.25 -","- Be4 Ca1.1 Ce0.4 Fe1.14 O20 Si4 Y2.5 -","2","0.5","","Chukanov, Nikita V.; Aksenov, Sergey M.; Rastsvetaeva, Ramiza K.; Kristiansen, Roy; Pekov, Igor V.; Belakovskiy, Dmitriy I.; Van, Konstantin V.; Bychkova, Yana V.; Britvin, Sergey N.","Crystal structure of the OH-dominant gadolinite-(Y) analogue (Y,Ca)<sub>2</sub>(Fe,\σquare )Be<sub>2</sub>Si<sub>2</sub>O<sub>8</sub>(OH,O)<sub>2</sub> from Heftetjern pegmatite, Norway.","Acta crystallographica Section B, Structural science, crystal engineering and materials","2017","73","Pt 5","899","906","10.1107/S2052520617006588","","x-ray","0.71069","MoKα","","0.0244","0.0217","","","0.027","0.0279","","","","1","1","0.98","","","","has coordinates","246095","2020-10-21","18:00:00",""
"2311731","9.6399","0.0012","10.3142","0.0014","13.4202","0.0018","99.961","0.004","107.306","0.004","97.321","0.004","1231.8","0.3","100","2","100","2","","","","","","","","4","P -1","-P 1","2","","","","- C14 H11 F3 N2 -","- C14 H11 F3 N2 -","- C56 H44 F12 N8 -","4","2","AO5033","Dey, Dhananjay; Chopra, Deepak","Quantitative analysis of solid-state diversity in trifluoromethylated phenylhydrazones.","Acta crystallographica Section B, Structural science, crystal engineering and materials","2017","73","Pt 5","781","793","10.1107/S2052520617006643","","","0.71073","MoKα","","0.0627","0.0478","","","0.1153","0.1241","","","","","","1.03","","","","has coordinates,has disorder","246096","2020-10-21","18:00:00",""
"2311732","15.2831","0.0009","4.8177","0.0003","19.0386","0.0011","90","","103.74","0.003","90","","1361.69","0.14","100","2","100","2","","","","","","","","4","C 1 c 1","C -2yc","9","","","","- C15 H10 F6 N2 -","- C15 H10 F6 N2 -","- C60 H40 F24 N8 -","4","1","","Dey, Dhananjay; Chopra, Deepak","Quantitative analysis of solid-state diversity in trifluoromethylated phenylhydrazones.","Acta crystallographica Section B, Structural science, crystal engineering and materials","2017","73","Pt 5","781","793","10.1107/S2052520617006643","","","0.71073","MoKα","","0.0339","0.0312","","","0.068","0.0693","","","","","","1.061","","","","has coordinates,has disorder","246096","2020-10-21","18:00:00",""
"2311733","8.189","0.002","8.376","0.002","11.623","0.004","72.723","0.018","82.222","0.017","62.417","0.015","674.7","0.3","100","2","100","2","","","","","","","","4","P -1","-P 1","2","","","","- C15 H10 F6 N2 -","- C15 H10 F6 N2 -","- C30 H20 F12 N4 -","2","1","","Dey, Dhananjay; Chopra, Deepak","Quantitative analysis of solid-state diversity in trifluoromethylated phenylhydrazones.","Acta crystallographica Section B, Structural science, crystal engineering and materials","2017","73","Pt 5","781","793","10.1107/S2052520617006643","","","0.71073","MoKα","","0.0562","0.0401","","","0.1136","0.1309","","","","","","1.164","","","","has coordinates","246096","2020-10-21","18:00:00",""
"2311734","11.5823","0.0006","13.8757","0.0007","7.4479","0.0003","90","","90","","90","","1196.97","0.1","100","2","100","2","","","","","","","","4","P n a 21","P 2c -2n","33","","","","- C14 H11 F3 N2 -","- C14 H11 F3 N2 -","- C56 H44 F12 N8 -","4","1","","Dey, Dhananjay; Chopra, Deepak","Quantitative analysis of solid-state diversity in trifluoromethylated phenylhydrazones.","Acta crystallographica Section B, Structural science, crystal engineering and materials","2017","73","Pt 5","781","793","10.1107/S2052520617006643","","","0.71073","MoKα","","0.0455","0.0368","","","0.0856","0.0897","","","","","","1.043","","","","has coordinates","246096","2020-10-21","18:00:00",""
"2311735","8.2523","0.0003","8.3039","0.0004","11.793","0.0005","82.823","0.002","74.769","0.002","61.428","0.002","684.78","0.05","100","2","100","2","","","","","","","","4","P -1","-P 1","2","","","","- C15 H10 F6 N2 -","- C15 H10 F6 N2 -","- C30 H20 F12 N4 -","2","1","","Dey, Dhananjay; Chopra, Deepak","Quantitative analysis of solid-state diversity in trifluoromethylated phenylhydrazones.","Acta crystallographica Section B, Structural science, crystal engineering and materials","2017","73","Pt 5","781","793","10.1107/S2052520617006643","","","0.71073","MoKα","","0.04","0.0365","","","0.1046","0.1073","","","","","","1.064","","","","has coordinates","246096","2020-10-21","18:00:00",""
"2311736","14.33","0.004","13.658","0.005","7.938","0.002","90","","112.607","0.011","90","","1434.2","0.8","100","2","100","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C15 H10 F6 N2 -","- C15 H10 F6 N2 -","- C60 H40 F24 N8 -","4","0.5","","Dey, Dhananjay; Chopra, Deepak","Quantitative analysis of solid-state diversity in trifluoromethylated phenylhydrazones.","Acta crystallographica Section B, Structural science, crystal engineering and materials","2017","73","Pt 5","781","793","10.1107/S2052520617006643","","","0.71073","MoKα","","0.0794","0.0505","","","0.1277","0.1423","","","","","","1.069","","","","has coordinates,has disorder","246096","2020-10-21","18:00:00",""
"2311737","11.2082","0.0004","16.2891","0.0005","15.2689","0.0007","90","","90","","90","","2787.67","0.18","100","2","100","2","","","","","","","","4","P n a 21","P 2c -2n","33","","","","- C15 H10 F6 N2 -","- C15 H10 F6 N2 -","- C120 H80 F48 N16 -","8","2","","Dey, Dhananjay; Chopra, Deepak","Quantitative analysis of solid-state diversity in trifluoromethylated phenylhydrazones.","Acta crystallographica Section B, Structural science, crystal engineering and materials","2017","73","Pt 5","781","793","10.1107/S2052520617006643","","","0.71073","MoKα","","0.0672","0.0495","","","0.1212","0.1325","","","","","","1.029","","","","has coordinates,has disorder","246096","2020-10-21","18:00:00",""
"2311738","20.0789","0.0008","7.4024","0.0007","7.2294","0.0015","90","","90","","90","","1074.5","0.2","283","","283","","","","","","","","","4","P n m a","-P 2ac 2n","62","","","","- Fe H5 O7 S -","- Fe H5 O7 S -","- Fe8 H40 O56 S8 -","8","1","","Plášil, Jakub; Petříček, Václav; Majzlan, Juraj","A commensurately modulated structure of parabutlerite, Fe<sup>III</sup>SO<sub>4</sub>(OH)·2H<sub>2</sub>O.","Acta crystallographica Section B, Structural science, crystal engineering and materials","2017","73","Pt 5","856","862","10.1107/S2052520617007156","","x-ray","0.71073","MoKα","","0.1185","0.0531","","","0.0622","0.0754","","","","2.14","2.14","1.75","","","","has coordinates","246097","2020-10-21","18:00:00",""
"2311739","12.4693","0.0003","12.4693","0.0003","7.9006","0.0003","90","","90","","90","","1228.41","0.06","293","","293","","","","","","","","","4","P 4 b m (a,b,2*c)","P 4 -2ab (x,y,1/2*z)","100","","","","- Ba0.476 Nb2 O6 Sr0.524 -","- Ba0.47816 Nb2 O6 Sr0.52328 -","- Ba4.7816 Nb20 O60 Sr5.2328 -","10","","","Graetsch, Heribert A.","Structural changes of relaxor ferroelectric Sr<sub>0.52</sub>Ba<sub>0.48</sub>Nb<sub>2</sub>O<sub>6</sub> (SBN52) on quenching and reheating.","Acta crystallographica Section B, Structural science, crystal engineering and materials","2017","73","Pt 5","820","826","10.1107/S2052520617007880","","","0.71073","MoKα","","0.0645","0.0271","","","0.0357","0.0421","","","","1.59","1.59","1.18","","","","has coordinates","246098","2020-10-21","18:00:00",""
"2311740","12.4629","0.0003","12.4629","0.0003","7.9032","0.0003","90","","90","","90","","1227.56","0.06","293","","293","","","","","","","","","4","P 4 b m (a,b,2*c)","P 4 -2ab (x,y,1/2*z)","100","","","","- Ba0.47 Nb2 O6 Sr0.53 -","- Ba0.4784 Nb2 O6 Sr0.52328 -","- Ba4.784 Nb20 O60 Sr5.2328 -","10","","","Graetsch, Heribert A.","Structural changes of relaxor ferroelectric Sr<sub>0.52</sub>Ba<sub>0.48</sub>Nb<sub>2</sub>O<sub>6</sub> (SBN52) on quenching and reheating.","Acta crystallographica Section B, Structural science, crystal engineering and materials","2017","73","Pt 5","820","826","10.1107/S2052520617007880","","","0.71073","MoKα","","0.0899","0.029","","","0.0365","0.0464","","","","1.47","1.47","1.11","","","","has coordinates","246098","2020-10-21","18:00:00",""
"2311741","14.692","0.002","5.681","0.001","9.776","0.001","90","","102.99","0.01","90","","795.1","0.2","293","2","293","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- H K2.91 N0.09 O8 S2 -","- H2 K5.82 N0.18 O16 S4 -","- H4 K11.64 N0.36 O32 S8 -","2","0.25","","Choudhury, R. R.; Chitra, R.; Selezneva, E. V.; Makarova, I. P.","Effect of cationic substitution on the double-well hydrogen-bond potential in [K<sub>1-x</sub>(NH<sub>4</sub>)<sub>x</sub>]<sub>3</sub>H(SO<sub>4</sub>)<sub>2</sub> proton conductors: a single-crystal neutron diffraction study.","Acta crystallographica Section B, Structural science, crystal engineering and materials","2017","73","Pt 5","863","867","10.1107/S2052520617008642","","","0.996","neutron","","0.2401","0.1391","","","0.3037","0.3868","","","","","","1.104","","","","has coordinates","246099","2020-10-21","18:00:00",""
"2311742","5.0083","0.0001","5.0083","0.0001","33.3987","0.0008","90","","90","","120","","725.51","0.03","100","2","100","2","","","","","","","","4","R -3 c :H","-R 3 2""c","167","","","","- C6 Ba3 Mg3 O18 -","- C6 Ba3 Mg3 O18 -","- C12 Ba6 Mg6 O36 -","2","0.0555556","","Ende, Martin; Effenberger, Herta; Miletich, Ronald","Evolution of the α-BaMg(CO<sub>3</sub>)<sub>2</sub> low-temperature superstructure and the tricritical nature of its α-β phase transition.","Acta crystallographica Section B, Structural science, crystal engineering and materials","2017","73","Pt 5","827","835","10.1107/S2052520617009295","","","0.71073","MoKα","","0.0178","0.0099","","","0.0199","0.0209","","","","","","1.012","","","","has coordinates","246100","2020-10-21","18:00:00",""
"2311743","5.0084","0.0002","5.0084","0.0002","33.3941","0.0015","90","","90","","120","","725.43","0.05","150","2","150","2","","","","","","","","4","R -3 c :H","-R 3 2""c","167","","","","- C6 Ba3 Mg3 O18 -","- C6 Ba3 Mg3 O18 -","- C12 Ba6 Mg6 O36 -","2","0.0555556","","Ende, Martin; Effenberger, Herta; Miletich, Ronald","Evolution of the α-BaMg(CO<sub>3</sub>)<sub>2</sub> low-temperature superstructure and the tricritical nature of its α-β phase transition.","Acta crystallographica Section B, Structural science, crystal engineering and materials","2017","73","Pt 5","827","835","10.1107/S2052520617009295","","","0.71073","MoKα","","0.0205","0.0095","","","0.0185","0.0196","","","","","","1.019","","","","has coordinates","246100","2020-10-21","18:00:00",""
"2311744","5.0113","0.0001","5.0113","0.0001","33.5158","0.001","90","","90","","120","","728.92","0.03","200","2","200","2","","","","","","","","4","R -3 c :H","-R 3 2""c","167","","","","- C6 Ba3 Mg3 O18 -","- C6 Ba3 Mg3 O18 -","- C12 Ba6 Mg6 O36 -","2","0.0555556","","Ende, Martin; Effenberger, Herta; Miletich, Ronald","Evolution of the α-BaMg(CO<sub>3</sub>)<sub>2</sub> low-temperature superstructure and the tricritical nature of its α-β phase transition.","Acta crystallographica Section B, Structural science, crystal engineering and materials","2017","73","Pt 5","827","835","10.1107/S2052520617009295","","","0.71073","MoKα","","0.0199","0.0101","","","0.0192","0.0204","","","","","","0.954","","","","has coordinates","246100","2020-10-21","18:00:00",""
"2311745","5.0135","0.0001","5.0135","0.0001","33.4784","0.0009","90","","90","","120","","728.75","0.03","250","2","250","2","","","","","","","","4","R -3 c :H","-R 3 2""c","167","","","","- C6 Ba3 Mg3 O18 -","- C6 Ba3 Mg3 O18 -","- C12 Ba6 Mg6 O36 -","2","0.0555556","","Ende, Martin; Effenberger, Herta; Miletich, Ronald","Evolution of the α-BaMg(CO<sub>3</sub>)<sub>2</sub> low-temperature superstructure and the tricritical nature of its α-β phase transition.","Acta crystallographica Section B, Structural science, crystal engineering and materials","2017","73","Pt 5","827","835","10.1107/S2052520617009295","","","0.71073","MoKα","","0.0215","0.0096","","","0.0193","0.0207","","","","","","0.947","","","","has coordinates","246100","2020-10-21","18:00:00",""
"2311746","5.0161","0.0001","5.0161","0.0001","33.4952","0.0008","90","","90","","120","","729.87","0.03","280","2","280","2","","","","","","","","4","R -3 c :H","-R 3 2""c","167","","","","- C6 Ba3 Mg3 O18 -","- C6 Ba3 Mg3 O18 -","- C12 Ba6 Mg6 O36 -","2","0.0555556","","Ende, Martin; Effenberger, Herta; Miletich, Ronald","Evolution of the α-BaMg(CO<sub>3</sub>)<sub>2</sub> low-temperature superstructure and the tricritical nature of its α-β phase transition.","Acta crystallographica Section B, Structural science, crystal engineering and materials","2017","73","Pt 5","827","835","10.1107/S2052520617009295","","","0.71073","MoKα","","0.0199","0.01","","","0.021","0.0225","","","","","","1.026","","","","has coordinates","246100","2020-10-21","18:00:00",""
"2311747","5.016","0.0001","5.016","0.0001","33.517","0.0013","90","","90","","120","","730.32","0.04","299","2","299","2","","","","","","","","4","R -3 c :H","-R 3 2""c","167","","","","- C6 Ba3 Mg3 O18 -","- C6 Ba3 Mg3 O18 -","- C12 Ba6 Mg6 O36 -","2","0.0555556","","Ende, Martin; Effenberger, Herta; Miletich, Ronald","Evolution of the α-BaMg(CO<sub>3</sub>)<sub>2</sub> low-temperature superstructure and the tricritical nature of its α-β phase transition.","Acta crystallographica Section B, Structural science, crystal engineering and materials","2017","73","Pt 5","827","835","10.1107/S2052520617009295","","","0.71073","MoKα","","0.0213","0.01","","","0.0209","0.0226","","","","","","0.953","","","","has coordinates","246100","2020-10-21","18:00:00",""
"2311748","5.018","0.0001","5.018","0.0001","33.5012","0.0008","90","","90","","120","","730.55","0.03","320","2","320","2","","","","","","","","4","R -3 c :H","-R 3 2""c","167","","","","- C6 Ba3 Mg3 O18 -","- C6 Ba3 Mg3 O18 -","- C12 Ba6 Mg6 O36 -","2","0.0555556","","Ende, Martin; Effenberger, Herta; Miletich, Ronald","Evolution of the α-BaMg(CO<sub>3</sub>)<sub>2</sub> low-temperature superstructure and the tricritical nature of its α-β phase transition.","Acta crystallographica Section B, Structural science, crystal engineering and materials","2017","73","Pt 5","827","835","10.1107/S2052520617009295","","","0.71073","MoKα","","0.0231","0.0099","","","0.0208","0.0227","","","","","","0.968","","","","has coordinates","246100","2020-10-21","18:00:00",""
"2311749","5.0183","0.0001","5.0183","0.0001","33.5074","0.0008","90","","90","","120","","730.78","0.03","330","2","330","2","","","","","","","","4","R -3 c :H","-R 3 2""c","167","","","","- C6 Ba3 Mg3 O18 -","- C6 Ba3 Mg3 O18 -","- C12 Ba6 Mg6 O36 -","2","0.0555556","","Ende, Martin; Effenberger, Herta; Miletich, Ronald","Evolution of the α-BaMg(CO<sub>3</sub>)<sub>2</sub> low-temperature superstructure and the tricritical nature of its α-β phase transition.","Acta crystallographica Section B, Structural science, crystal engineering and materials","2017","73","Pt 5","827","835","10.1107/S2052520617009295","","","0.71073","MoKα","","0.0232","0.0105","","","0.0219","0.024","","","","","","1.007","","","","has coordinates","246100","2020-10-21","18:00:00",""
"2311750","5.0187","0.0001","5.0187","0.0001","33.5273","0.0009","90","","90","","120","","731.33","0.03","340","2","340","2","","","","","","","","4","R -3 c :H","-R 3 2""c","167","","","","- C6 Ba3 Mg3 O18 -","- C6 Ba3 Mg3 O18 -","- C12 Ba6 Mg6 O36 -","2","0.0555556","","Ende, Martin; Effenberger, Herta; Miletich, Ronald","Evolution of the α-BaMg(CO<sub>3</sub>)<sub>2</sub> low-temperature superstructure and the tricritical nature of its α-β phase transition.","Acta crystallographica Section B, Structural science, crystal engineering and materials","2017","73","Pt 5","827","835","10.1107/S2052520617009295","","","0.71073","MoKα","","0.0241","0.0109","","","0.0224","0.0246","","","","","","0.98","","","","has coordinates","246100","2020-10-21","18:00:00",""
"2311751","5.0198","0.0001","5.0198","0.0001","33.5169","0.0009","90","","90","","120","","731.42","0.03","350","2","350","2","","","","","","","","4","R -3 c :H","-R 3 2""c","167","","","","- C6 Ba3 Mg3 O18 -","- C6 Ba3 Mg3 O18 -","- C12 Ba6 Mg6 O36 -","2","0.0555556","","Ende, Martin; Effenberger, Herta; Miletich, Ronald","Evolution of the α-BaMg(CO<sub>3</sub>)<sub>2</sub> low-temperature superstructure and the tricritical nature of its α-β phase transition.","Acta crystallographica Section B, Structural science, crystal engineering and materials","2017","73","Pt 5","827","835","10.1107/S2052520617009295","","","0.71073","MoKα","","0.0244","0.0102","","","0.0212","0.0237","","","","","","1.01","","","","has coordinates","246100","2020-10-21","18:00:00",""
"2311752","5.0206","0.0001","5.0206","0.0001","33.5307","0.0014","90","","90","","120","","731.96","0.04","360","2","360","2","","","","","","","","4","R -3 c :H","-R 3 2""c","167","","","","- C6 Ba3 Mg3 O18 -","- C6 Ba3 Mg3 O18 -","- C12 Ba6 Mg6 O36 -","2","0.0555556","","Ende, Martin; Effenberger, Herta; Miletich, Ronald","Evolution of the α-BaMg(CO<sub>3</sub>)<sub>2</sub> low-temperature superstructure and the tricritical nature of its α-β phase transition.","Acta crystallographica Section B, Structural science, crystal engineering and materials","2017","73","Pt 5","827","835","10.1107/S2052520617009295","","","0.71073","MoKα","","0.0288","0.0116","","","0.0247","0.028","","","","","","0.99","","","","has coordinates","246100","2020-10-21","18:00:00",""
"2311753","5.0209","0.0001","5.0209","0.0001","16.7515","0.0005","90","","90","","120","","365.719","0.015","370","2","370","2","","","","","","","","4","R -3 m :H","-R 3 2""","166","","","","- C6 Ba3 Mg3 O18 -","- C6 Ba3 Mg3 O18 -","- C6 Ba3 Mg3 O18 -","1","0.0277778","","Ende, Martin; Effenberger, Herta; Miletich, Ronald","Evolution of the α-BaMg(CO<sub>3</sub>)<sub>2</sub> low-temperature superstructure and the tricritical nature of its α-β phase transition.","Acta crystallographica Section B, Structural science, crystal engineering and materials","2017","73","Pt 5","827","835","10.1107/S2052520617009295","","","0.71073","MoKα","","0.0139","0.0139","","","0.0325","0.0326","","","","","","1.165","","","","has coordinates","246100","2020-10-21","18:00:00",""
"2311754","5.0214","0.0002","5.0214","0.0002","16.7931","0.0006","90","","90","","120","","366.7","0.02","380","2","380","2","","","","","","","","4","R -3 m :H","-R 3 2""","166","","","","- C6 Ba3 Mg3 O18 -","- C6 Ba3 Mg3 O18 -","- C6 Ba3 Mg3 O18 -","1","0.0277778","","Ende, Martin; Effenberger, Herta; Miletich, Ronald","Evolution of the α-BaMg(CO<sub>3</sub>)<sub>2</sub> low-temperature superstructure and the tricritical nature of its α-β phase transition.","Acta crystallographica Section B, Structural science, crystal engineering and materials","2017","73","Pt 5","827","835","10.1107/S2052520617009295","","","0.71073","MoKα","","0.0148","0.0148","","","0.0303","0.0303","","","","","","1.144","","","","has coordinates","246100","2020-10-21","18:00:00",""
"2311755","5.0206","0.0002","5.0206","0.0002","16.7875","0.0006","90","","90","","120","","366.46","0.02","390","2","390","2","","","","","","","","4","R -3 m :H","-R 3 2""","166","","","","- C6 Ba3 Mg3 O18 -","- C6 Ba3 Mg3 O18 -","- C6 Ba3 Mg3 O18 -","1","0.0277778","","Ende, Martin; Effenberger, Herta; Miletich, Ronald","Evolution of the α-BaMg(CO<sub>3</sub>)<sub>2</sub> low-temperature superstructure and the tricritical nature of its α-β phase transition.","Acta crystallographica Section B, Structural science, crystal engineering and materials","2017","73","Pt 5","827","835","10.1107/S2052520617009295","","","0.71073","MoKα","","0.0138","0.0138","","","0.0302","0.0302","","","","","","1.138","","","","has coordinates","246100","2020-10-21","18:00:00",""
"2311756","5.0217","0.0002","5.0217","0.0002","16.8037","0.0006","90","","90","","120","","366.98","0.02","399","2","399","2","","","","","","","","4","R -3 m :H","-R 3 2""","166","","","","- C6 Ba3 Mg3 O18 -","- C6 Ba3 Mg3 O18 -","- C6 Ba3 Mg3 O18 -","1","0.0277778","","Ende, Martin; Effenberger, Herta; Miletich, Ronald","Evolution of the α-BaMg(CO<sub>3</sub>)<sub>2</sub> low-temperature superstructure and the tricritical nature of its α-β phase transition.","Acta crystallographica Section B, Structural science, crystal engineering and materials","2017","73","Pt 5","827","835","10.1107/S2052520617009295","","","0.71073","MoKα","","0.0136","0.0136","","","0.032","0.032","","","","","","1.117","","","","has coordinates","246100","2020-10-21","18:00:00",""
"2311757","5.0224","0.0002","5.0224","0.0002","16.8222","0.0008","90","","90","","120","","367.48","0.03","420","2","420","2","","","","","","","","4","R -3 m :H","-R 3 2""","166","","","","- C6 Ba3 Mg3 O18 -","- C6 Ba3 Mg3 O18 -","- C6 Ba3 Mg3 O18 -","1","0.0277778","","Ende, Martin; Effenberger, Herta; Miletich, Ronald","Evolution of the α-BaMg(CO<sub>3</sub>)<sub>2</sub> low-temperature superstructure and the tricritical nature of its α-β phase transition.","Acta crystallographica Section B, Structural science, crystal engineering and materials","2017","73","Pt 5","827","835","10.1107/S2052520617009295","","","0.71073","MoKα","","0.0132","0.0132","","","0.0306","0.0306","","","","","","1.179","","","","has coordinates","246100","2020-10-21","18:00:00",""
"2311758","5.0228","0.0007","5.0228","0.0007","16.862","0.003","90","","90","","120","","368.41","0.1","440","2","440","2","","","","","","","","4","R -3 m :H","-R 3 2""","166","","","","- C6 Ba3 Mg3 O18 -","- C6 Ba3 Mg3 O18 -","- C6 Ba3 Mg3 O18 -","1","0.0277778","","Ende, Martin; Effenberger, Herta; Miletich, Ronald","Evolution of the α-BaMg(CO<sub>3</sub>)<sub>2</sub> low-temperature superstructure and the tricritical nature of its α-β phase transition.","Acta crystallographica Section B, Structural science, crystal engineering and materials","2017","73","Pt 5","827","835","10.1107/S2052520617009295","","","0.71073","MoKα","","0.014","0.014","","","0.0321","0.0321","","","","","","1.146","","","","has coordinates","246100","2020-10-21","18:00:00",""
"2311759","5.0256","0.001","5.0256","0.001","16.782","0.006","90","","90","","120","","367.07","0.17","440","2","440","2","","","","","","","","4","R -3 m :H","-R 3 2""","166","","","","- C6 Ba3 Mg3 O18 -","- C6 Ba3 Mg3 O18 -","- C6 Ba3 Mg3 O18 -","1","0.0277778","","Ende, Martin; Effenberger, Herta; Miletich, Ronald","Evolution of the α-BaMg(CO<sub>3</sub>)<sub>2</sub> low-temperature superstructure and the tricritical nature of its α-β phase transition.","Acta crystallographica Section B, Structural science, crystal engineering and materials","2017","73","Pt 5","827","835","10.1107/S2052520617009295","","","0.71073","MoKα","","0.0136","0.0136","","","0.0318","0.0318","","","","","","1.116","","","","has coordinates","246100","2020-10-21","18:00:00",""
"2311760","5.027","0.001","5.027","0.001","16.778","0.003","90","","90","","120","","367.19","0.12","480","2","480","2","","","","","","","","4","R -3 m :H","-R 3 2""","166","","","","- C6 Ba3 Mg3 O18 -","- C6 Ba3 Mg3 O18 -","- C6 Ba3 Mg3 O18 -","1","0.0277778","","Ende, Martin; Effenberger, Herta; Miletich, Ronald","Evolution of the α-BaMg(CO<sub>3</sub>)<sub>2</sub> low-temperature superstructure and the tricritical nature of its α-β phase transition.","Acta crystallographica Section B, Structural science, crystal engineering and materials","2017","73","Pt 5","827","835","10.1107/S2052520617009295","","","0.71073","MoKα","","0.015","0.0147","","","0.0336","0.0337","","","","","","1.075","","","","has coordinates","246100","2020-10-21","18:00:00",""
"2311761","5.0277","0.0004","5.0277","0.0004","16.7972","0.0014","90","","90","","120","","367.71","0.05","500","2","500","2","","","","","","","","4","R -3 m :H","-R 3 2""","166","","","","- C6 Ba3 Mg3 O18 -","- C6 Ba3 Mg3 O18 -","- C6 Ba3 Mg3 O18 -","1","0.0277778","","Ende, Martin; Effenberger, Herta; Miletich, Ronald","Evolution of the α-BaMg(CO<sub>3</sub>)<sub>2</sub> low-temperature superstructure and the tricritical nature of its α-β phase transition.","Acta crystallographica Section B, Structural science, crystal engineering and materials","2017","73","Pt 5","827","835","10.1107/S2052520617009295","","","0.71073","MoKα","","0.015","0.015","","","0.0346","0.0346","","","","","","1.118","","","","has coordinates","246100","2020-10-21","18:00:00",""
"2311762","8.09423","0.00009","9.40452","0.00016","9.54481","0.00018","90","","90","","90","","726.57","0.02","130","","130","","","","","","","","","6","P n a m","-P 2c 2n","62","","","","- C4 H10 B F4 N O -","- C4 H10 B F4 N O -","- C16 H40 B4 F16 N4 O4 -","4","0.5","","Noohinejad, Leila; van Smaalen, Sander; Petříček, Václav; Schönleber, Andreas","Incommensurately modulated structure of morpholinium tetrafluoroborate and configurational versus chemical entropies at the incommensurate and lock-in phase transitions.","Acta crystallographica Section B, Structural science, crystal engineering and materials","2017","73","Pt 5","836","843","10.1107/S2052520617009398","","x-ray","0.71069","MoKα","","0.1651","0.0586","","","0.0682","0.0733","","","","3.9","3.9","2.73","","","","has coordinates","246101","2020-10-21","18:00:00",""
"2311763","8.131","0.00012","9.40719","0.00022","9.58445","0.00029","90","","90","","90","","733.11","0.03","160","","160","","","","","","","","","6","P n a m","-P 2c 2n","62","","","","- C4 H10 B F4 N O -","- C4 H10 B F4 N O -","- C16 H40 B4 F16 N4 O4 -","4","0.5","","Noohinejad, Leila; van Smaalen, Sander; Petříček, Václav; Schönleber, Andreas","Incommensurately modulated structure of morpholinium tetrafluoroborate and configurational versus chemical entropies at the incommensurate and lock-in phase transitions.","Acta crystallographica Section B, Structural science, crystal engineering and materials","2017","73","Pt 5","836","843","10.1107/S2052520617009398","","x-ray","0.71069","MoKα","","0.0976","0.0495","","","0.0649","0.069","","","","3.14","3.14","2.44","","","","has coordinates","246101","2020-10-21","18:00:00",""
"2311764","6.0925","0.0005","26.145","0.002","12.1017","0.001","90","","99.3633","0.0017","90","","1902","0.3","100","0.1","100","0.1","","","","","","","","4","P 1 n 1","P -2yac","7","","Hexamethylenetetramine bis(benzoic acid)","","- C20 H24 N4 O4 -","- C20 H24 N4 O4 -","- C80 H96 N16 O16 -","4","2","GW5053","Chia, Tze Shyang; Quah, Ching Kheng","Temperature-induced order-disorder structural phase transitions of two-dimensional isostructural hexamethylenetetramine co-crystals.","Acta crystallographica Section B, Structural science, crystal engineering and materials","2017","73","Pt 5","879","890","10.1107/S2052520617009520","","","0.71073","MoKα","","0.062","0.0433","","","0.1037","0.1126","","","","","","1.109","","","","has coordinates","246103","2020-10-21","18:00:00",""
"2311765","6.1262","0.0006","26.531","0.002","12.0982","0.0011","90","","99.5055","0.0016","90","","1939.4","0.3","200","0.1","200","0.1","","","","","","","","4","P 1 n 1","P -2yac","7","","Hexamethylenetetramine bis(benzoic acid)","","- C20 H24 N4 O4 -","- C20 H24 N4 O4 -","- C80 H96 N16 O16 -","4","2","","Chia, Tze Shyang; Quah, Ching Kheng","Temperature-induced order-disorder structural phase transitions of two-dimensional isostructural hexamethylenetetramine co-crystals.","Acta crystallographica Section B, Structural science, crystal engineering and materials","2017","73","Pt 5","879","890","10.1107/S2052520617009520","","","0.71073","MoKα","","0.0694","0.0458","","","0.098","0.1089","","","","","","1.093","","","","has coordinates","246103","2020-10-21","18:00:00",""
"2311766","6.1343","0.0009","26.629","0.004","12.0933","0.0018","90","","99.514","0.003","90","","1948.3","0.5","220","0.1","220","0.1","","","","","","","","4","P 1 n 1","P -2yac","7","","Hexamethylenetetramine bis(benzoic acid)","","- C20 H24 N4 O4 -","- C20 H24 N4 O4 -","- C80 H96 N16 O16 -","4","2","","Chia, Tze Shyang; Quah, Ching Kheng","Temperature-induced order-disorder structural phase transitions of two-dimensional isostructural hexamethylenetetramine co-crystals.","Acta crystallographica Section B, Structural science, crystal engineering and materials","2017","73","Pt 5","879","890","10.1107/S2052520617009520","","","0.71073","MoKα","","0.114","0.0634","","","0.1602","0.1896","","","","","","1.06","","","","has coordinates","246103","2020-10-21","18:00:00",""
"2311767","6.1398","0.0008","26.721","0.004","12.0772","0.0017","90","","99.554","0.002","90","","1953.9","0.5","240","0.1","240","0.1","","","","","","","","4","P 1 n 1","P -2yac","7","","Hexamethylenetetramine bis(benzoic acid)","","- C20 H24 N4 O4 -","- C20 H24 N4 O4 -","- C80 H96 N16 O16 -","4","2","","Chia, Tze Shyang; Quah, Ching Kheng","Temperature-induced order-disorder structural phase transitions of two-dimensional isostructural hexamethylenetetramine co-crystals.","Acta crystallographica Section B, Structural science, crystal engineering and materials","2017","73","Pt 5","879","890","10.1107/S2052520617009520","","","0.71073","MoKα","","0.1096","0.0574","","","0.1428","0.168","","","","","","1.103","","","","has coordinates","246103","2020-10-21","18:00:00",""
"2311768","6.1457","0.0008","26.765","0.003","12.0716","0.0016","90","","99.654","0.002","90","","1957.5","0.4","250","0.1","250","0.1","","","","","","","","4","P 1 n 1","P -2yac","7","","Hexamethylenetetramine bis(benzoic acid)","","- C20 H24 N4 O4 -","- C20 H24 N4 O4 -","- C80 H96 N16 O16 -","4","2","","Chia, Tze Shyang; Quah, Ching Kheng","Temperature-induced order-disorder structural phase transitions of two-dimensional isostructural hexamethylenetetramine co-crystals.","Acta crystallographica Section B, Structural science, crystal engineering and materials","2017","73","Pt 5","879","890","10.1107/S2052520617009520","","","0.71073","MoKα","","0.0856","0.0506","","","0.1111","0.1284","","","","","","1.051","","","","has coordinates","246103","2020-10-21","18:00:00",""
"2311769","10.1183","0.0018","27.015","0.005","7.1684","0.0013","90","","90","","90","","1959.5","0.6","260","0.1","260","0.1","","","","","","","","4","F m m 2","F 2 -2","42","","Hexamethylenetetramine bis(benzoic acid)","","- C20 H24 N4 O4 -","- C20 H24 N4 O4 -","- C80 H96 N16 O16 -","4","0.25","","Chia, Tze Shyang; Quah, Ching Kheng","Temperature-induced order-disorder structural phase transitions of two-dimensional isostructural hexamethylenetetramine co-crystals.","Acta crystallographica Section B, Structural science, crystal engineering and materials","2017","73","Pt 5","879","890","10.1107/S2052520617009520","","","0.71073","MoKα","","0.0575","0.0494","","","0.13","0.1369","","","","","","1.071","","","","has coordinates,has disorder","246103","2020-10-21","18:00:00",""
"2311770","10.1464","0.0011","27.166","0.003","7.1898","0.0008","90","","90","","90","","1981.8","0.4","280","0.1","280","0.1","","","","","","","","4","F m m 2","F 2 -2","42","","Hexamethylenetetramine bis(benzoic acid)","","- C20 H24 N4 O4 -","- C20 H24 N4 O4 -","- C80 H96 N16 O16 -","4","0.25","","Chia, Tze Shyang; Quah, Ching Kheng","Temperature-induced order-disorder structural phase transitions of two-dimensional isostructural hexamethylenetetramine co-crystals.","Acta crystallographica Section B, Structural science, crystal engineering and materials","2017","73","Pt 5","879","890","10.1107/S2052520617009520","","","0.71073","MoKα","","0.0545","0.044","","","0.118","0.1275","","","","","","1.054","","","","has coordinates,has disorder","246103","2020-10-21","18:00:00",""
"2311771","10.1732","0.0013","27.291","0.004","7.2049","0.0009","90","","90","","90","","2000.3","0.5","300","0.1","300","0.1","","","","","","","","4","F m m 2","F 2 -2","42","","Hexamethylenetetramine bis(benzoic acid)","","- C20 H24 N4 O4 -","- C20 H24 N4 O4 -","- C80 H96 N16 O16 -","4","0.25","","Chia, Tze Shyang; Quah, Ching Kheng","Temperature-induced order-disorder structural phase transitions of two-dimensional isostructural hexamethylenetetramine co-crystals.","Acta crystallographica Section B, Structural science, crystal engineering and materials","2017","73","Pt 5","879","890","10.1107/S2052520617009520","","","0.71073","MoKα","","0.0535","0.0434","","","0.1218","0.1315","","","","","","1.066","","","","has coordinates,has disorder","246103","2020-10-21","18:00:00",""
"2311772","6.1425","0.0004","28.085","0.0018","12.1822","0.0008","90","","99.6957","0.0012","90","","2071.6","0.2","100","0.1","100","0.1","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","Hexamethylenetetramine bis(4-methylbenzoic acid)","","- C22 H28 N4 O4 -","- C22 H28 N4 O4 -","- C88 H112 N16 O16 -","4","1","","Chia, Tze Shyang; Quah, Ching Kheng","Temperature-induced order-disorder structural phase transitions of two-dimensional isostructural hexamethylenetetramine co-crystals.","Acta crystallographica Section B, Structural science, crystal engineering and materials","2017","73","Pt 5","879","890","10.1107/S2052520617009520","","","0.71073","MoKα","","0.0619","0.0471","","","0.1107","0.1205","","","","","","1.039","","","","has coordinates","246103","2020-10-21","18:00:00",""
"2311773","6.202","0.002","28.482","0.01","12.225","0.004","90","","100.276","0.007","90","","2124.9","1.2","250","0.1","250","0.1","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","Hexamethylenetetramine bis(4-methylbenzoic acid)","","- C22 H28 N4 O4 -","- C22 H28 N4 O4 -","- C88 H112 N16 O16 -","4","1","","Chia, Tze Shyang; Quah, Ching Kheng","Temperature-induced order-disorder structural phase transitions of two-dimensional isostructural hexamethylenetetramine co-crystals.","Acta crystallographica Section B, Structural science, crystal engineering and materials","2017","73","Pt 5","879","890","10.1107/S2052520617009520","","","0.71073","MoKα","","0.1008","0.0647","","","0.1326","0.1506","","","","","","1.119","","","","has coordinates","246103","2020-10-21","18:00:00",""
"2311774","10.1948","0.0013","7.3566","0.0009","28.679","0.004","90","","90","","90","","2150.9","0.5","280","0.1","280","0.1","","","","","","","","4","C m c m","-C 2c 2","63","","Hexamethylenetetramine bis(4-methylbenzoic acid)","","- C22 H28 N4 O4 -","- C22 H28 N4 O4 -","- C88 H112 N16 O16 -","4","0.25","","Chia, Tze Shyang; Quah, Ching Kheng","Temperature-induced order-disorder structural phase transitions of two-dimensional isostructural hexamethylenetetramine co-crystals.","Acta crystallographica Section B, Structural science, crystal engineering and materials","2017","73","Pt 5","879","890","10.1107/S2052520617009520","","","0.71073","MoKα","","0.104","0.08","","","0.2232","0.2429","","","","","","1.109","","","","has coordinates,has disorder","246103","2020-10-21","18:00:00",""
"2311775","10.1958","0.0013","7.3592","0.0009","28.718","0.004","90","","90","","90","","2154.8","0.5","290","0.1","290","0.1","","","","","","","","4","C m c m","-C 2c 2","63","","Hexamethylenetetramine bis(4-methylbenzoic acid)","","- C22 H28 N4 O4 -","- C22 H27 N4 O4 -","- C88 H108 N16 O16 -","4","0.25","","Chia, Tze Shyang; Quah, Ching Kheng","Temperature-induced order-disorder structural phase transitions of two-dimensional isostructural hexamethylenetetramine co-crystals.","Acta crystallographica Section B, Structural science, crystal engineering and materials","2017","73","Pt 5","879","890","10.1107/S2052520617009520","","","0.71073","MoKα","","0.1061","0.0791","","","0.2193","0.2421","","","","","","1.086","","","","has coordinates,has disorder","246103","2020-10-21","18:00:00",""
"2311776","6.7327","0.0003","8.9894","0.0004","10.2191","0.0004","86.6588","0.0012","73.566","0.0012","86.5873","0.0013","591.62","0.04","300","2","300","2","","","","","","","","4","P -1","-P 1","2","","","","- Ba2 La2 O13 Si4 -","- Ba2 La2 O13 Si4 -","- Ba4 La4 O26 Si8 -","2","1","RM5005","Fulle, Kyle; Sanjeewa, Liurukara D.; McMillen, Colin D.; Kolis, Joseph W.","Crystal chemistry and the role of ionic radius in rare earth tetrasilicates: Ba<sub>2</sub>RE<sub>2</sub>Si<sub>4</sub>O<sub>12</sub>F<sub>2</sub> (RE = Er<sup>3+</sup>-Lu<sup>3+</sup>) and Ba<sub>2</sub>RE<sub>2</sub>Si<sub>4</sub>O<sub>13</sub> (RE = La<sup>3+</sup>-Ho<sup>3+</sup>).","Acta crystallographica Section B, Structural science, crystal engineering and materials","2017","73","Pt 5","907","915","10.1107/S2052520617009544","","","0.71073","MoKα","","0.0216","0.0203","","","0.0501","0.0508","","","","","","1.172","","","","has coordinates","246104","2020-10-21","18:00:00",""
"2311777","6.7062","0.0003","8.9719","0.0004","10.1565","0.0005","86.6118","0.0016","73.5658","0.0015","86.4609","0.0016","584.45","0.05","300","2","300","2","","","","","","","","4","P -1","-P 1","2","","","","- Ba2 Ce2 O13 Si4 -","- Ba2 Ce2 O13 Si4 -","- Ba4 Ce4 O26 Si8 -","2","1","","Fulle, Kyle; Sanjeewa, Liurukara D.; McMillen, Colin D.; Kolis, Joseph W.","Crystal chemistry and the role of ionic radius in rare earth tetrasilicates: Ba<sub>2</sub>RE<sub>2</sub>Si<sub>4</sub>O<sub>12</sub>F<sub>2</sub> (RE = Er<sup>3+</sup>-Lu<sup>3+</sup>) and Ba<sub>2</sub>RE<sub>2</sub>Si<sub>4</sub>O<sub>13</sub> (RE = La<sup>3+</sup>-Ho<sup>3+</sup>).","Acta crystallographica Section B, Structural science, crystal engineering and materials","2017","73","Pt 5","907","915","10.1107/S2052520617009544","","","0.71073","MoKα","","0.0206","0.0185","","","0.0437","0.0445","","","","","","1.122","","","","has coordinates","246104","2020-10-21","18:00:00",""
"2311778","6.688","0.0003","8.953","0.0004","10.1324","0.0004","86.5023","0.0013","73.5481","0.0013","86.2929","0.0015","580.07","0.04","300","2","300","2","","","","","","","","4","P -1","-P 1","2","","","","- Ba2 O13 Pr2 Si4 -","- Ba2 O13 Pr2 Si4 -","- Ba4 O26 Pr4 Si8 -","2","1","","Fulle, Kyle; Sanjeewa, Liurukara D.; McMillen, Colin D.; Kolis, Joseph W.","Crystal chemistry and the role of ionic radius in rare earth tetrasilicates: Ba<sub>2</sub>RE<sub>2</sub>Si<sub>4</sub>O<sub>12</sub>F<sub>2</sub> (RE = Er<sup>3+</sup>-Lu<sup>3+</sup>) and Ba<sub>2</sub>RE<sub>2</sub>Si<sub>4</sub>O<sub>13</sub> (RE = La<sup>3+</sup>-Ho<sup>3+</sup>).","Acta crystallographica Section B, Structural science, crystal engineering and materials","2017","73","Pt 5","907","915","10.1107/S2052520617009544","","","0.71073","MoKα","","0.0222","0.0205","","","0.05","0.0507","","","","","","1.165","","","","has coordinates","246104","2020-10-21","18:00:00",""
"2311779","12.9961","0.0009","5.2355","0.0007","17.626","0.003","90","","104.148","0.018","90","","1162.9","0.3","298","2","298","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- Ba2 O13 Si4 Sm2 -","- Ba2 O13 Si4 Sm2 -","- Ba8 O52 Si16 Sm8 -","4","0.5","","Fulle, Kyle; Sanjeewa, Liurukara D.; McMillen, Colin D.; Kolis, Joseph W.","Crystal chemistry and the role of ionic radius in rare earth tetrasilicates: Ba<sub>2</sub>RE<sub>2</sub>Si<sub>4</sub>O<sub>12</sub>F<sub>2</sub> (RE = Er<sup>3+</sup>-Lu<sup>3+</sup>) and Ba<sub>2</sub>RE<sub>2</sub>Si<sub>4</sub>O<sub>13</sub> (RE = La<sup>3+</sup>-Ho<sup>3+</sup>).","Acta crystallographica Section B, Structural science, crystal engineering and materials","2017","73","Pt 5","907","915","10.1107/S2052520617009544","","","0.71073","MoKα","","0.0509","0.049","","","0.1447","0.1464","","","","","","1.177","","","","has coordinates","246104","2020-10-21","18:00:00",""
"2311780","12.9545","0.0013","5.2311","0.0008","17.595","0.005","90","","104.23","0.02","90","","1155.8","0.4","298","2","298","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- Ba2 Eu2 O13 Si4 -","- Ba2 Eu2 O13 Si4 -","- Ba8 Eu8 O52 Si16 -","4","0.5","","Fulle, Kyle; Sanjeewa, Liurukara D.; McMillen, Colin D.; Kolis, Joseph W.","Crystal chemistry and the role of ionic radius in rare earth tetrasilicates: Ba<sub>2</sub>RE<sub>2</sub>Si<sub>4</sub>O<sub>12</sub>F<sub>2</sub> (RE = Er<sup>3+</sup>-Lu<sup>3+</sup>) and Ba<sub>2</sub>RE<sub>2</sub>Si<sub>4</sub>O<sub>13</sub> (RE = La<sup>3+</sup>-Ho<sup>3+</sup>).","Acta crystallographica Section B, Structural science, crystal engineering and materials","2017","73","Pt 5","907","915","10.1107/S2052520617009544","","","0.71073","MoKα","","0.0485","0.0435","","","0.1149","0.1191","","","","","","1.111","","","","has coordinates","246104","2020-10-21","18:00:00",""
"2311781","12.8568","0.0005","5.2019","0.0002","17.5243","0.0007","90","","104.147","0.0015","90","","1136.48","0.08","298","2","302","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- Ba2 O13 Si4 Tb2 -","- Ba2 O13 Si4 Tb2 -","- Ba8 O52 Si16 Tb8 -","4","0.5","","Fulle, Kyle; Sanjeewa, Liurukara D.; McMillen, Colin D.; Kolis, Joseph W.","Crystal chemistry and the role of ionic radius in rare earth tetrasilicates: Ba<sub>2</sub>RE<sub>2</sub>Si<sub>4</sub>O<sub>12</sub>F<sub>2</sub> (RE = Er<sup>3+</sup>-Lu<sup>3+</sup>) and Ba<sub>2</sub>RE<sub>2</sub>Si<sub>4</sub>O<sub>13</sub> (RE = La<sup>3+</sup>-Ho<sup>3+</sup>).","Acta crystallographica Section B, Structural science, crystal engineering and materials","2017","73","Pt 5","907","915","10.1107/S2052520617009544","","","0.71073","MoKα","","0.02","0.017","","","0.0393","0.0485","","","","","","1.194","","","","has coordinates","246104","2020-10-21","18:00:00",""
"2311782","12.8478","0.0009","5.202","0.0006","17.525","0.003","90","","104.077","0.015","90","","1136.1","0.3","298","2","298","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- Ba2 Dy2 O13 Si4 -","- Ba2 Dy2 O13 Si4 -","- Ba8 Dy8 O52 Si16 -","4","0.5","","Fulle, Kyle; Sanjeewa, Liurukara D.; McMillen, Colin D.; Kolis, Joseph W.","Crystal chemistry and the role of ionic radius in rare earth tetrasilicates: Ba<sub>2</sub>RE<sub>2</sub>Si<sub>4</sub>O<sub>12</sub>F<sub>2</sub> (RE = Er<sup>3+</sup>-Lu<sup>3+</sup>) and Ba<sub>2</sub>RE<sub>2</sub>Si<sub>4</sub>O<sub>13</sub> (RE = La<sup>3+</sup>-Ho<sup>3+</sup>).","Acta crystallographica Section B, Structural science, crystal engineering and materials","2017","73","Pt 5","907","915","10.1107/S2052520617009544","","","0.71073","MoKα","","0.0446","0.0431","","","0.1283","0.1304","","","","","","1.162","","","","has coordinates","246104","2020-10-21","18:00:00",""
"2311783","12.8127","0.0007","5.1934","0.0005","17.514","0.003","90","","103.971","0.012","90","","1130.9","0.2","298","2","298","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- Ba2 Ho2 O13 Si4 -","- Ba2 Ho2 O13 Si4 -","- Ba8 Ho8 O52 Si16 -","4","0.5","","Fulle, Kyle; Sanjeewa, Liurukara D.; McMillen, Colin D.; Kolis, Joseph W.","Crystal chemistry and the role of ionic radius in rare earth tetrasilicates: Ba<sub>2</sub>RE<sub>2</sub>Si<sub>4</sub>O<sub>12</sub>F<sub>2</sub> (RE = Er<sup>3+</sup>-Lu<sup>3+</sup>) and Ba<sub>2</sub>RE<sub>2</sub>Si<sub>4</sub>O<sub>13</sub> (RE = La<sup>3+</sup>-Ho<sup>3+</sup>).","Acta crystallographica Section B, Structural science, crystal engineering and materials","2017","73","Pt 5","907","915","10.1107/S2052520617009544","","","0.71073","MoKα","","0.0366","0.0345","","","0.1004","0.1026","","","","","","1.13","","","","has coordinates","246104","2020-10-21","18:00:00",""
"2311784","5.476","0.004","7.166","0.006","8.958","0.008","108.138","0.018","102.03","0.02","92.742","0.019","324.3","0.5","298","2","298","2","","","","","","","","5","P -1","-P 1","2","","","","- Ba2 Er2 F2 O12 Si4 -","- Ba2 Er2 F2 O12 Si4 -","- Ba2 Er2 F2 O12 Si4 -","1","0.5","","Fulle, Kyle; Sanjeewa, Liurukara D.; McMillen, Colin D.; Kolis, Joseph W.","Crystal chemistry and the role of ionic radius in rare earth tetrasilicates: Ba<sub>2</sub>RE<sub>2</sub>Si<sub>4</sub>O<sub>12</sub>F<sub>2</sub> (RE = Er<sup>3+</sup>-Lu<sup>3+</sup>) and Ba<sub>2</sub>RE<sub>2</sub>Si<sub>4</sub>O<sub>13</sub> (RE = La<sup>3+</sup>-Ho<sup>3+</sup>).","Acta crystallographica Section B, Structural science, crystal engineering and materials","2017","73","Pt 5","907","915","10.1107/S2052520617009544","","","0.71073","MoKα","","0.0362","0.0352","","","0.0933","0.0944","","","","","","1.145","","","","has coordinates","246104","2020-10-21","18:00:00",""
"2311785","5.4609","0.0004","7.1258","0.0005","8.9379","0.0007","107.809","0.002","101.987","0.002","92.866","0.002","321.5","0.04","300","2","300","2","","","","","","","","5","P -1","-P 1","2","","","","- Ba2 F2 O12 Si4 Tm2 -","- Ba2 F2 O12 Si4 Tm2 -","- Ba2 F2 O12 Si4 Tm2 -","1","0.5","","Fulle, Kyle; Sanjeewa, Liurukara D.; McMillen, Colin D.; Kolis, Joseph W.","Crystal chemistry and the role of ionic radius in rare earth tetrasilicates: Ba<sub>2</sub>RE<sub>2</sub>Si<sub>4</sub>O<sub>12</sub>F<sub>2</sub> (RE = Er<sup>3+</sup>-Lu<sup>3+</sup>) and Ba<sub>2</sub>RE<sub>2</sub>Si<sub>4</sub>O<sub>13</sub> (RE = La<sup>3+</sup>-Ho<sup>3+</sup>).","Acta crystallographica Section B, Structural science, crystal engineering and materials","2017","73","Pt 5","907","915","10.1107/S2052520617009544","","","0.71073","MoKα","","0.0228","0.0224","","","0.0623","0.0625","","","","","","1.141","","","","has coordinates","246104","2020-10-21","18:00:00",""
"2311786","5.4461","0.0003","7.1212","0.0003","8.9128","0.0004","107.798","0.0014","101.866","0.0014","92.9455","0.0014","319.66","0.03","300","2","300","2","","","","","","","","5","P -1","-P 1","2","","","","- Ba2 F2 O12 Si4 Yb2 -","- Ba2 F2 O12 Si4 Yb2 -","- Ba2 F2 O12 Si4 Yb2 -","1","0.5","","Fulle, Kyle; Sanjeewa, Liurukara D.; McMillen, Colin D.; Kolis, Joseph W.","Crystal chemistry and the role of ionic radius in rare earth tetrasilicates: Ba<sub>2</sub>RE<sub>2</sub>Si<sub>4</sub>O<sub>12</sub>F<sub>2</sub> (RE = Er<sup>3+</sup>-Lu<sup>3+</sup>) and Ba<sub>2</sub>RE<sub>2</sub>Si<sub>4</sub>O<sub>13</sub> (RE = La<sup>3+</sup>-Ho<sup>3+</sup>).","Acta crystallographica Section B, Structural science, crystal engineering and materials","2017","73","Pt 5","907","915","10.1107/S2052520617009544","","","0.71073","MoKα","","0.0143","0.0141","","","0.0574","0.0575","","","","","","1.138","","","","has coordinates","246104","2020-10-21","18:00:00",""
"2311787","5.451","0.003","7.1227","0.0018","8.8937","0.0018","107.73","0.03","101.81","0.04","93.01","0.04","319.5","0.2","298","2","298","2","","","","","","","","5","P -1","-P 1","2","","","","- Ba2 F2 Lu2 O12 Si4 -","- Ba2 F2 Lu2 O12 Si4 -","- Ba2 F2 Lu2 O12 Si4 -","1","0.5","","Fulle, Kyle; Sanjeewa, Liurukara D.; McMillen, Colin D.; Kolis, Joseph W.","Crystal chemistry and the role of ionic radius in rare earth tetrasilicates: Ba<sub>2</sub>RE<sub>2</sub>Si<sub>4</sub>O<sub>12</sub>F<sub>2</sub> (RE = Er<sup>3+</sup>-Lu<sup>3+</sup>) and Ba<sub>2</sub>RE<sub>2</sub>Si<sub>4</sub>O<sub>13</sub> (RE = La<sup>3+</sup>-Ho<sup>3+</sup>).","Acta crystallographica Section B, Structural science, crystal engineering and materials","2017","73","Pt 5","907","915","10.1107/S2052520617009544","","","0.71073","MoKα","","0.0368","0.0359","","","0.0983","0.099","","","","","","1.066","","","","has coordinates","246104","2020-10-21","18:00:00",""
"2311788","26.785","0.003","8.2451","0.0016","26.824","0.003","90","","90","0.01","90","","5923.9","1.5","293","2","293","2","","","","","","","","5","P 1 2/m 1","-P 2y","10","","","","- F18 K36 O108 Sc18 Si36 -","- F18 K36 O108 Sc18 Si36 -","- F36 K72 O216 Sc36 Si72 -","2","0.5","","Hejny, C.; Bindi, L.","Low-temperature behaviour of K<sub>2</sub>Sc[Si<sub>2</sub>O<sub>6</sub>]F: determination of the lock-in phase and its relationships with fresnoite- and melilite-type compounds.","Acta crystallographica Section B, Structural science, crystal engineering and materials","2017","73","Pt 5","923","930","10.1107/S2052520617010241","","","0.71069","MoKα","","0.0327","0.0312","","","0.101","0.1011","","","","","","1.281","","","","has coordinates","246105","2020-10-21","18:00:00",""
"2311789","13.2748","0.0004","13.2748","0.0004","19.1521","0.0007","90","","90","","120","","2922.83","0.16","298","2","298","2","","","","","","","","2","P 63/m m c","-P 6c 2c","194","tren-SnS-1","","","- S28 Sn12 -","- S28 Sn12 -","- S28 Sn12 -","1","0.0416667","","Filsø, Mette Ø; Chaaban, Iman; Al Shehabi, Amer; Skibsted, Jørgen; Lock, Nina","The structure-directing amine changes everything: structures and optical properties of two-dimensional thiostannates.","Acta crystallographica Section B, Structural science, crystal engineering and materials","2017","73","Pt 5","931","940","10.1107/S2052520617010630","","","0.71073","MoKα","","0.0802","0.0584","","","0.2148","0.2266","","","","","","1.149","","","","has coordinates","246106","2020-10-21","18:00:00",""
"2311790","13.2299","0.0002","22.2673","0.0003","9.0772","0.0002","90","","90","","90","","2674.09","0.08","298","2","298","2","","","","","","","","5","P 21 21 2","P 2 2ab","18","1AEP-SnS-1","","","- C14 H26 N4 S7 Sn3 -","- C14 H26 N4 S7 Sn3 -","- C56 H104 N16 S28 Sn12 -","4","1","","Filsø, Mette Ø; Chaaban, Iman; Al Shehabi, Amer; Skibsted, Jørgen; Lock, Nina","The structure-directing amine changes everything: structures and optical properties of two-dimensional thiostannates.","Acta crystallographica Section B, Structural science, crystal engineering and materials","2017","73","Pt 5","931","940","10.1107/S2052520617010630","","","0.71073","MoKα","","0.0826","0.0383","","","0.0499","0.0574","","","","","","0.958","","","","has coordinates,has disorder","246106","2020-10-21","18:00:00",""
"2311791","13.1724","0.0005","22.2035","0.0011","8.9383","0.0005","90","","90","","90","","2614.2","0.2","100","2","100","2","","","","","","","","5","P 21 21 2","P 2 2ab","18","1AEP-SnS-1","","","- C14 H26 N4 S7 Sn3 -","- C14 H26 N4 S7 Sn3 -","- C56 H104 N16 S28 Sn12 -","4","1","","Filsø, Mette Ø; Chaaban, Iman; Al Shehabi, Amer; Skibsted, Jørgen; Lock, Nina","The structure-directing amine changes everything: structures and optical properties of two-dimensional thiostannates.","Acta crystallographica Section B, Structural science, crystal engineering and materials","2017","73","Pt 5","931","940","10.1107/S2052520617010630","","","0.71073","MoKα","","0.0388","0.0291","","","0.0432","0.0446","","","","","","1.086","","","","has coordinates,has disorder","246106","2020-10-21","18:00:00",""
"2311792","7.766","0.0016","8.759","0.004","11.306","0.002","108.67","0.04","83.41","0.03","126.64","0.02","581.7","0.4","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","","","- Al3 Cu6 O30 S Sb -","- Al3 Cu6 O30 S Sb -","- Al3 Cu6 O30 S Sb -","1","0.5","","Mills, Stuart J.; Christy, Andrew G.; Favreau, Georges; Galea-Clolus, Valérie","Multidimensional structural variation in the cyanotrichite family of merotypes: camerolaite-3b-Fβar 1.","Acta crystallographica Section B, Structural science, crystal engineering and materials","2017","73","Pt 5","950","955","10.1107/S2052520617010769","","","0.71091","synchrotron","","0.0955","0.0885","","","0.2595","0.2707","","","","","","1.073","","","","has coordinates","246107","2020-10-21","18:00:00",""
"2311793","7.0762","0.0009","25.964","0.0017","7.445","0.0007","90","","118.506","0.009","90","","1202","0.2","100","2","100","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","1a","","","- C10 H11 Cl2 Hg N O2 -","- C10 H11 Cl2 Hg N O2 -","- C40 H44 Cl8 Hg4 N4 O8 -","4","1","","Truong, Khai Nghi; Merkens, Carina; Englert, Ulli","3-(Pyridin-4-yl)acetylacetone: a donor ligand towards mercury(II) halides and a versatile linker for complex materials.","Acta crystallographica Section B, Structural science, crystal engineering and materials","2017","73","Pt 5","981","991","10.1107/S2052520617011118","","","0.71073","MoKα","","0.0354","0.0292","","","0.0596","0.0619","","","","","","1.07","","","","has coordinates","246108","2020-10-21","18:00:00",""
"2311794","26.0002","0.0019","6.4821","0.001","16.196","0.0016","90","","127.176","0.001","90","","2174.9","0.4","100","2","100","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","1b","","","- C20 H22 Cl2 Hg N2 O4 -","- C20 H22 Cl2 Hg N2 O4 -","- C80 H88 Cl8 Hg4 N8 O16 -","4","0.5","","Truong, Khai Nghi; Merkens, Carina; Englert, Ulli","3-(Pyridin-4-yl)acetylacetone: a donor ligand towards mercury(II) halides and a versatile linker for complex materials.","Acta crystallographica Section B, Structural science, crystal engineering and materials","2017","73","Pt 5","981","991","10.1107/S2052520617011118","","","0.71073","MoKα","","0.0224","0.0215","","","0.0499","0.0502","","","","","","1.071","","","","has coordinates","246108","2020-10-21","18:00:00",""
"2311795","6.8597","0.0005","13.9425","0.001","26.7054","0.0019","90","","90","","90","","2554.1","0.3","100","2","100","2","","","","","","","","6","P b c a","-P 2ac 2ab","61","2a","","","- C10 H11 Br2 Hg N O2 -","- C10 H11 Br2 Hg N O2 -","- C80 H88 Br16 Hg8 N8 O16 -","8","1","","Truong, Khai Nghi; Merkens, Carina; Englert, Ulli","3-(Pyridin-4-yl)acetylacetone: a donor ligand towards mercury(II) halides and a versatile linker for complex materials.","Acta crystallographica Section B, Structural science, crystal engineering and materials","2017","73","Pt 5","981","991","10.1107/S2052520617011118","","","0.71073","MoKα","","0.0419","0.0289","","","0.0471","0.0511","","","","","","1.08","","","","has coordinates","246108","2020-10-21","18:00:00",""
"2311796","26.6909","0.0015","6.5248","0.0004","16.07","0.0009","90","","126.946","0.001","90","","2236.7","0.2","100","2","100","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","2b","","","- C20 H22 Br2 Hg N2 O4 -","- C20 H22 Br2 Hg N2 O4 -","- C80 H88 Br8 Hg4 N8 O16 -","4","0.5","","Truong, Khai Nghi; Merkens, Carina; Englert, Ulli","3-(Pyridin-4-yl)acetylacetone: a donor ligand towards mercury(II) halides and a versatile linker for complex materials.","Acta crystallographica Section B, Structural science, crystal engineering and materials","2017","73","Pt 5","981","991","10.1107/S2052520617011118","","","0.71073","MoKα","","0.0227","0.0205","","","0.0446","0.0454","","","","","","1.057","","","","has coordinates","246108","2020-10-21","18:00:00",""
"2311797","7.0546","0.0014","14.2685","0.0016","27.4248","0.0019","90","","90","","90","","2760.5","0.7","293","2","293","2","","","","","","","","6","P b c a","-P 2ac 2ab","61","3","","","- C10 H11 Hg I2 N O2 -","- C10 H11 Hg I2 N O2 -","- C80 H88 Hg8 I16 N8 O16 -","8","1","","Truong, Khai Nghi; Merkens, Carina; Englert, Ulli","3-(Pyridin-4-yl)acetylacetone: a donor ligand towards mercury(II) halides and a versatile linker for complex materials.","Acta crystallographica Section B, Structural science, crystal engineering and materials","2017","73","Pt 5","981","991","10.1107/S2052520617011118","","","0.71073","MoKα","","0.0555","0.0436","","","0.094","0.0988","","","","","","1.089","","","","has coordinates","246108","2020-10-21","18:00:00",""
"2311798","16.7982","0.0018","24.3995","0.0019","13.9346","0.0015","90","","107.435","0.004","90","","5448.9","0.9","100","2","100","2","","","","","","","","8","P 1 21/c 1","-P 2ybc","14","","","","- C84 H80 Al2 Br8 Cl4 Hg4 N6 O17 -","- C84 H80 Al2 Br8 Cl4 Hg4 N6 O17 -","- C168 H160 Al4 Br16 Cl8 Hg8 N12 O34 -","2","0.5","","Truong, Khai Nghi; Merkens, Carina; Englert, Ulli","3-(Pyridin-4-yl)acetylacetone: a donor ligand towards mercury(II) halides and a versatile linker for complex materials.","Acta crystallographica Section B, Structural science, crystal engineering and materials","2017","73","Pt 5","981","991","10.1107/S2052520617011118","","","0.71073","MoKα","","0.1302","0.072","","","0.1863","0.2034","","","","","","1.072","","","","has coordinates,has disorder","246108","2020-10-21","18:00:00",""
"2311799","32.1651","0.0019","13.8294","0.0012","27.6145","0.0016","90","","124.917","0.003","90","","10072.3","1.3","100","2","100","2","","","","","","","","8","C 1 2/c 1","-C 2yc","15","","","","- C69 H86 Al2 Cl2 Hg3 I6 N6 O23.18 -","- C69 H86 Al2 Cl2 Hg3 I6 N6 O23.178 -","- C276 H344 Al8 Cl8 Hg12 I24 N24 O92.712 -","4","0.5","","Truong, Khai Nghi; Merkens, Carina; Englert, Ulli","3-(Pyridin-4-yl)acetylacetone: a donor ligand towards mercury(II) halides and a versatile linker for complex materials.","Acta crystallographica Section B, Structural science, crystal engineering and materials","2017","73","Pt 5","981","991","10.1107/S2052520617011118","","","0.71073","MoKα","","0.082","0.0563","","","0.1574","0.1724","","","","","","1.024","","","","has coordinates,has disorder","288178","2023-12-08","09:50:42",""
"2311800","7.7759","0.0008","6.7421","0.0006","23.996","0.002","90","","95.224","0.006","90","","1252.8","0.2","296","2","296","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C12 H11 N3 O5 -","- C12 H11 N3 O5 -","- C48 H44 N12 O20 -","4","1","","Sarmah, Kashyap Kumar; Rajbongshi, Trishna; Bhowmick, Sourav; Thakuria, Ranjit","First-line antituberculosis drug, pyrazinamide, its pharmaceutically relevant cocrystals and a salt.","Acta crystallographica Section B, Structural science, crystal engineering and materials","2017","73","Pt 5","1007","1016","10.1107/S2052520617011477","","","0.71073","MoKα","","0.0519","0.0435","","","0.1182","0.1249","","","","","","1.056","","","","has coordinates","246110","2020-10-21","18:00:00",""
"2311801","10.0839","0.0015","5.0936","0.0008","23.335","0.003","90","","99.605","0.008","90","","1181.8","0.3","293","2","293","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C12 H11 N3 O5 -","- C12 H11 N3 O5 -","- C48 H44 N12 O20 -","4","1","","Sarmah, Kashyap Kumar; Rajbongshi, Trishna; Bhowmick, Sourav; Thakuria, Ranjit","First-line antituberculosis drug, pyrazinamide, its pharmaceutically relevant cocrystals and a salt.","Acta crystallographica Section B, Structural science, crystal engineering and materials","2017","73","Pt 5","1007","1016","10.1107/S2052520617011477","","","0.71073","MoKα","","0.0611","0.043","","","0.1202","0.1366","","","","","","1.085","","","","has coordinates","246110","2020-10-21","18:00:00",""
"2311802","5.0262","0.0003","25.2701","0.0011","9.7106","0.0005","90","","97.492","0.003","90","","1222.84","0.11","296","2","296","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C12 H11 N3 O5 -","- C12 H11 N3 O5 -","- C48 H44 N12 O20 -","4","1","","Sarmah, Kashyap Kumar; Rajbongshi, Trishna; Bhowmick, Sourav; Thakuria, Ranjit","First-line antituberculosis drug, pyrazinamide, its pharmaceutically relevant cocrystals and a salt.","Acta crystallographica Section B, Structural science, crystal engineering and materials","2017","73","Pt 5","1007","1016","10.1107/S2052520617011477","","","0.71073","MoKα","","0.0531","0.0448","","","0.1171","0.1226","","","","","","1.09","","","","has coordinates","246110","2020-10-21","18:00:00",""
"2311803","7.4159","0.0005","10.169","0.0007","11.0335","0.0008","70.471","0.003","76.142","0.003","78.253","0.004","754.4","0.09","296","2","296","2","","","","","","","","4","P -1","-P 1","2","","","","- C15 H15 N3 O5 -","- C15 H15 N3 O5 -","- C30 H30 N6 O10 -","2","1","","Sarmah, Kashyap Kumar; Rajbongshi, Trishna; Bhowmick, Sourav; Thakuria, Ranjit","First-line antituberculosis drug, pyrazinamide, its pharmaceutically relevant cocrystals and a salt.","Acta crystallographica Section B, Structural science, crystal engineering and materials","2017","73","Pt 5","1007","1016","10.1107/S2052520617011477","","","0.71073","MoKα","","0.0424","0.0355","","","0.1001","0.1072","","","","","","1.038","","","","has coordinates","246110","2020-10-21","18:00:00",""
"2311804","7.6458","0.0009","9.9985","0.0011","18.027","0.002","103.727","0.005","92.711","0.006","91.656","0.005","1336.1","0.3","296","2","296","2","","","","","","","","5","P -1","-P 1","2","","","","- C12 H13 N3 O4 S -","- C12 H13 N3 O4 S -","- C48 H52 N12 O16 S4 -","4","2","","Sarmah, Kashyap Kumar; Rajbongshi, Trishna; Bhowmick, Sourav; Thakuria, Ranjit","First-line antituberculosis drug, pyrazinamide, its pharmaceutically relevant cocrystals and a salt.","Acta crystallographica Section B, Structural science, crystal engineering and materials","2017","73","Pt 5","1007","1016","10.1107/S2052520617011477","","","0.71073","MoKα","","0.0865","0.0487","","","0.1365","0.1629","","","","","","1.05","","","","has coordinates,has disorder","246110","2020-10-21","18:00:00",""
"2311805","17.283","0.003","5.7371","0.0008","18.561","0.003","90","","108.274","0.004","90","","1747.6","0.5","291","2","291","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C14 H26 N2 O9 -","- C14 H26 N2 O9 -","- C56 H104 N8 O36 -","4","1","","Mora, Asiloé J; Belandria, Lusbely M.; Delgado, Gerzon E.; Seijas, Luis E.; Lunar, Angel; Almeida, Rafael","Non-covalent interactions in the multicomponent crystal of 1-aminocyclopentane carboxylic acid, oxalic acid and water: a crystallographic and a theoretical approach.","Acta crystallographica Section B, Structural science, crystal engineering and materials","2017","73","Pt 5","968","980","10.1107/S2052520617011775","","","0.7107","MoKα","","0.1068","0.062","","","0.1424","0.164","","","","","","1.074","","","","has coordinates,has disorder","246111","2020-10-21","18:00:00",""
"2311862","38.459","0.003","8.6208","0.0007","8.242","0.0007","90","","95.371","0.002","90","","2720.6","0.4","298","2","298","2","","","","","","","","3","C 1 2/c 1","-C 2yc","15","Inositol Derivative","1,2-<i>O</i>-Cyclohexylidene-<i>myo</i>-inositol dihydrate","","- C12 H24 O8 -","- C12 H23 O8 -","- C96 H184 O64 -","8","1","QS3056","Purushothaman, Gayathri; Juvale, Kapil; Kirubakaran, Sivapriya; Vemula, Praveen Kumar; Thiruvenkatam, Vijay","Water-mediated intermolecular interactions in 1,2-O-cyclohexylidene-myo-inositol: a quantitative analysis.","Acta crystallographica. Section C, Structural chemistry","2017","73","Pt 1","20","27","10.1107/S2053229616018581","","","0.71073","MoKα","","0.0916","0.0551","","","0.1104","0.1404","","","","","","1.241","","","","has coordinates","246144","2020-10-21","18:00:00",""
"2311863","15.1693","0.0006","6.7367","0.0002","12.9532","0.0004","90","","108.033","0.004","90","","1258.68","0.08","200","1","200","1","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","magnesium <i>p</i>-arsanilate decahydrate","Hexaaquamagnesium bis[hydrogen (4-aminophenyl)arsonate] tetrahydrate","","- C12 H34 As2 Mg N2 O16 -","- C12 H34 As2 Mg N2 O16 -","- C24 H68 As4 Mg2 N4 O32 -","2","0.5","OV3082","Smith, Graham; Wermuth, Urs D.","The coordination complex structures and hydrogen bonding in the three-dimensional alkaline earth metal salts (Mg, Ca, Sr and Ba) of (4-aminophenyl)arsonic acid.","Acta crystallographica. Section C, Structural chemistry","2017","73","Pt 1","61","67","10.1107/S2053229616019434","","","0.71073","MoKα","","0.0343","0.0284","","","0.0679","0.0717","","","","","","1.117","","","","has coordinates","246145","2020-10-21","18:00:00",""
"2311864","9.001","0.005","9.672","0.005","11.756","0.005","77.096","0.005","74.096","0.005","82.236","0.005","956.4","0.8","200","1","200","1","","","","","","","","6","P -1","-P 1","2","calcium <i>p</i>-arsanilate tetrahydrate","<i>catena</i>-Poly[[[diaquacalcium]-bis[μ~2~-hydrogen (4-aminophenyl)arsonato-κ^2^<i>O</i>:<i>O</i>']-[diaquacalcium]-bis[μ~2~-hydrogen (4-aminophenyl)arsonato-κ^2^<i>O</i>:<i>O</i>]] dihydrate]","","- C12 H22 As2 Ca N2 O10 -","- C12 H22 As2 Ca N2 O10 -","- C24 H44 As4 Ca2 N4 O20 -","2","1","OV3082","Smith, Graham; Wermuth, Urs D.","The coordination complex structures and hydrogen bonding in the three-dimensional alkaline earth metal salts (Mg, Ca, Sr and Ba) of (4-aminophenyl)arsonic acid.","Acta crystallographica. Section C, Structural chemistry","2017","73","Pt 1","61","67","10.1107/S2053229616019434","","","0.71073","MoKα","","0.0386","0.031","","","0.0641","0.0682","","","","","","1.055","","","","has coordinates","246145","2020-10-21","18:00:00",""
"2311865","9.8935","0.0003","7.5844","0.0003","23.6669","0.0009","90","","97.866","0.003","90","","1759.17","0.11","200","1","200","1","","","","","","","","6","I 1 2/a 1","-I 2ya","15","strontium <i>p</i>-arsanilate trihydrate","<i>catena</i>-Poly[[triaquastrontium]-bis[μ~2~-hydrogen (4-aminophenyl)arsonato-κ^2^<i>O</i>:<i>O</i>']]","","- C12 H20 As2 N2 O9 Sr -","- C12 H20 As2 N2 O9 Sr -","- C48 H80 As8 N8 O36 Sr4 -","4","0.5","OV3082","Smith, Graham; Wermuth, Urs D.","The coordination complex structures and hydrogen bonding in the three-dimensional alkaline earth metal salts (Mg, Ca, Sr and Ba) of (4-aminophenyl)arsonic acid.","Acta crystallographica. Section C, Structural chemistry","2017","73","Pt 1","61","67","10.1107/S2053229616019434","","","0.71073","MoKα","","0.025","0.0219","","","0.0502","0.0511","","","","","","1.087","","","","has coordinates","246145","2020-10-21","18:00:00",""
"2311866","9.9997","0.0008","7.7305","0.0006","23.979","0.002","90","","98.214","0.007","90","","1834.6","0.3","200","2","200","2","","","","","","","","6","I 1 2/a 1","-I 2ya","15","barium <i>p</i>-arsanilate trihydrate","<i>catena</i>-Poly[[triaquabarium]-bis[μ~2~-hydrogen (4-aminophenyl)arsonato-κ^2^<i>O</i>:<i>O</i>']]","","- C12 H20 As2 Ba N2 O9 -","- C12 H20 As2 Ba N2 O9 -","- C48 H80 As8 Ba4 N8 O36 -","4","0.5","OV3082","Smith, Graham; Wermuth, Urs D.","The coordination complex structures and hydrogen bonding in the three-dimensional alkaline earth metal salts (Mg, Ca, Sr and Ba) of (4-aminophenyl)arsonic acid.","Acta crystallographica. Section C, Structural chemistry","2017","73","Pt 1","61","67","10.1107/S2053229616019434","","","0.71073","MoKα","","0.0259","0.0228","","","0.054","0.0549","","","","","","1.096","","","","has coordinates","246145","2020-10-21","18:00:00",""
"2311867","3.9329","0.0017","8.615","0.004","17.836","0.007","90","","90","","90","","604.3","0.5","100","2","100.02","","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","lithium chloride-pyridine solvate","<i>catena</i>-Poly[[(pyridine-κ<i>N</i>)lithium]-μ~3~-chlorido]","","- C5 H5 Cl Li N -","- C5 H5 Cl Li N -","- C20 H20 Cl4 Li4 N4 -","4","1","KY3111","Jalil, AbdelAziz; Clymer, Rebecca N.; Hamilton, Clifton R.; Vaddypally, Shivaiah; Gau, Michael R.; Zdilla, Michael J.","Structure of salts of lithium chloride and lithium hexafluorophosphate as solvates with pyridine and vinylpyridine and structural comparisons: (C<sub>5</sub>H<sub>5</sub>N)LiPF<sub>6</sub>, [p-(CH<sub>2</sub>=CH)C<sub>5</sub>H<sub>4</sub>N]LiPF<sub>6</sub>, [(C<sub>5</sub>H<sub>5</sub>N)LiCl]<sub>n</sub>, and [p-(CH<sub>2</sub>=CH)C<sub>5</sub>H<sub>4</sub>N]<sub>2</sub>Li(μ-Cl)<sub>2</sub>Li[p-(CH<sub>2</sub>=CH)C<sub>5</sub>H<sub>4</sub>N]<sub>2</sub>.","Acta crystallographica. Section C, Structural chemistry","2017","73","Pt 3","264","269","10.1107/S205322961700064X","","","0.71073","MoKα","","0.0342","0.0293","","","0.0652","0.0672","","","","","","1.058","","","","has coordinates","246146","2020-10-21","18:00:00",""
"2311868","24.725","0.003","14.7026","0.0018","15.8325","0.0019","90","","90","","90","","5755.5","1.2","100","2","100.01","","","","","","","","","6","A e a 2","A 2 -2ab","41","","Tetrakis(4-ethenylpyridine-κ<i>N</i>)lithium(I) hexafluoridophosphate","","- C28 H28 F6 Li N4 P -","- C28 H28 F6 Li N4 P -","- C224 H224 F48 Li8 N32 P8 -","8","1","","Jalil, AbdelAziz; Clymer, Rebecca N.; Hamilton, Clifton R.; Vaddypally, Shivaiah; Gau, Michael R.; Zdilla, Michael J.","Structure of salts of lithium chloride and lithium hexafluorophosphate as solvates with pyridine and vinylpyridine and structural comparisons: (C<sub>5</sub>H<sub>5</sub>N)LiPF<sub>6</sub>, [p-(CH<sub>2</sub>=CH)C<sub>5</sub>H<sub>4</sub>N]LiPF<sub>6</sub>, [(C<sub>5</sub>H<sub>5</sub>N)LiCl]<sub>n</sub>, and [p-(CH<sub>2</sub>=CH)C<sub>5</sub>H<sub>4</sub>N]<sub>2</sub>Li(μ-Cl)<sub>2</sub>Li[p-(CH<sub>2</sub>=CH)C<sub>5</sub>H<sub>4</sub>N]<sub>2</sub>.","Acta crystallographica. Section C, Structural chemistry","2017","73","Pt 3","264","269","10.1107/S205322961700064X","","","0.71073","MoKα","","0.0468","0.0383","","","0.0921","0.098","","","","","","1.067","","","","has coordinates,has disorder","246146","2020-10-21","18:00:00",""
"2311869","12.3857","0.0012","12.3857","0.0012","7.0065","0.001","90","","90","","90","","1074.8","0.2","123","2","123.09","","","","","","","","","6","I -4","I -4","82","Pyridine Lithium hexafluorophosphate solvate","Tetrakis(pyridine-κ<i>N</i>)lithium(I) hexafluoridophosphate","","- C20 H20 F6 Li N4 P -","- C20 H20 F6 Li N4 P -","- C40 H40 F12 Li2 N8 P2 -","2","0.25","","Jalil, AbdelAziz; Clymer, Rebecca N.; Hamilton, Clifton R.; Vaddypally, Shivaiah; Gau, Michael R.; Zdilla, Michael J.","Structure of salts of lithium chloride and lithium hexafluorophosphate as solvates with pyridine and vinylpyridine and structural comparisons: (C<sub>5</sub>H<sub>5</sub>N)LiPF<sub>6</sub>, [p-(CH<sub>2</sub>=CH)C<sub>5</sub>H<sub>4</sub>N]LiPF<sub>6</sub>, [(C<sub>5</sub>H<sub>5</sub>N)LiCl]<sub>n</sub>, and [p-(CH<sub>2</sub>=CH)C<sub>5</sub>H<sub>4</sub>N]<sub>2</sub>Li(μ-Cl)<sub>2</sub>Li[p-(CH<sub>2</sub>=CH)C<sub>5</sub>H<sub>4</sub>N]<sub>2</sub>.","Acta crystallographica. Section C, Structural chemistry","2017","73","Pt 3","264","269","10.1107/S205322961700064X","","","0.71073","MoKα","","0.049","0.0488","","","0.1188","0.1193","","","","","","1.055","","","","has coordinates","246146","2020-10-21","18:00:00",""
"2311870","12.24","0.004","18.88","0.006","12.675","0.004","90","","105.864","0.006","90","","2817.5","1.6","178","2","178","","","","","","","","","5","P 1 21/n 1","-P 2yn","14","Vinylpyridine lithium chloride solvate","Di-μ-chlorido-bis[bis(4-ethenylpyridine-κ<i>N</i>)lithium]","","- C28 H28 Cl2 Li2 N4 -","- C28 H28 Cl2 Li2 N4 -","- C112 H112 Cl8 Li8 N16 -","4","1","","Jalil, AbdelAziz; Clymer, Rebecca N.; Hamilton, Clifton R.; Vaddypally, Shivaiah; Gau, Michael R.; Zdilla, Michael J.","Structure of salts of lithium chloride and lithium hexafluorophosphate as solvates with pyridine and vinylpyridine and structural comparisons: (C<sub>5</sub>H<sub>5</sub>N)LiPF<sub>6</sub>, [p-(CH<sub>2</sub>=CH)C<sub>5</sub>H<sub>4</sub>N]LiPF<sub>6</sub>, [(C<sub>5</sub>H<sub>5</sub>N)LiCl]<sub>n</sub>, and [p-(CH<sub>2</sub>=CH)C<sub>5</sub>H<sub>4</sub>N]<sub>2</sub>Li(μ-Cl)<sub>2</sub>Li[p-(CH<sub>2</sub>=CH)C<sub>5</sub>H<sub>4</sub>N]<sub>2</sub>.","Acta crystallographica. Section C, Structural chemistry","2017","73","Pt 3","264","269","10.1107/S205322961700064X","","","0.71073","MoKα","","0.1288","0.0525","","","0.0937","0.117","","","","","","0.97","","","","has coordinates,has disorder","246146","2020-10-21","18:00:00",""
"2311871","9.2021","0.0017","10.2022","0.0016","16.532","0.003","74.49","0.006","78.452","0.006","76.849","0.006","1440.2","0.4","200","2","200","2","","","","","","","","4","P -1","-P 1","2","PLZ03102016","Methyl 8-[4-(1<i>H</i>-benzimidazol-2-yl)phenoxy]octanoate octan-1-ol monosolvate","","- C30 H44 N2 O4 -","- C30 H44 N2 O4 -","- C60 H88 N4 O8 -","2","1","EG3217","Geiger, H. Cristina; Zick, Patricia L.; Roberts, William R.; Geiger, David K.","Synthesis and characterization of a novel long-alkyl-chain ester-substituted benzimidazole gelator and its octan-1-ol solvate.","Acta crystallographica. Section C, Structural chemistry","2017","73","Pt 4","350","356","10.1107/S2053229617004314","","","0.71073","MoKa","","0.0664","0.0456","","","0.1143","0.128","","","","","","1.031","","","","has coordinates,has disorder","246147","2020-10-21","18:00:00",""
"2311872","15.26","0.003","11.75","0.002","10.334","0.002","90","","99.04","0.03","90","","1829.9","0.6","295","2","295","2","","","","","","","","7","C 1 2/c 1","-C 2yc","15","","<i>catena</i>-Poly[chlorido[μ~3~-(pyridin-1-ium-3-yl)phosphonato-κ^3^<i>O</i>:<i>O</i>':<i>O</i>'']zinc(II)]","","- C5 H5 Cl N O3 P Zn -","- C5 H5 Cl N O3 P Zn -","- C40 H40 Cl8 N8 O24 P8 Zn8 -","8","1","LY3044","Wilk-Kozubek, Magdalena; Jarzembska, Katarzyna N.; Janczak, Jan; Videnova-Adrabinska, Veneta","Synthesis, structural characterization and computational studies of catena-poly[chlorido[μ<sub>3</sub>-(pyridin-1-ium-3-yl)phosphonato-κ<sup>3</sup>O:O':O'']zinc(II)].","Acta crystallographica. Section C, Structural chemistry","2017","73","Pt 5","363","368","10.1107/S2053229617004478","","","0.71073","MoKα","","0.0673","0.0348","","","0.0645","0.0713","","","","","","1.002","","","","has coordinates","246148","2020-10-21","18:00:00",""
"2311873","28.73","0.006","7.5129","0.0015","12.476","0.003","90","","111.97","0.03","90","","2497.3","1.1","293","2","293","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","Aquabis[5-(4-methylphenyl)-3-(pyridin-2-yl)-1<i>H</i>-1,2,4-triazolato-\ κ^2^<i>N</i>^1^,<i>N</i>^5^]zinc(II)","","- C28 H24 N8 O Zn -","- C28 H24 N8 O Zn -","- C112 H96 N32 O4 Zn4 -","4","0.5","LF3051","Liu, Feng Yi; Zhou, Dong Mei; Zhao, Xiao Lan; Kou, Jun Feng","Synthesis, crystal structures and luminescence properties of seven mononuclear zinc(II), cadmium(II), cobalt(II) and nickel(II) complexes with 5-(4-methylphenyl)-3-(pyridin-2-yl)-1H-1,2,4-triazole.","Acta crystallographica. Section C, Structural chemistry","2017","73","Pt 5","382","392","10.1107/S2053229617004697","","","0.71073","MoKα","","0.1026","0.0615","","","0.1276","0.1451","","","","","","1.004","","","","has coordinates","246149","2020-10-21","18:00:00",""
"2311874","16.869","0.003","12.488","0.003","14.626","0.003","90","","114.98","0.03","90","","2792.9","1.2","293","2","293","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","Bis[5-(4-methylphenyl)-3-(pyridin-2-yl)-1<i>H</i>-1,2,4-\ triazole-κ^2^<i>N</i>^3^,<i>N</i>^4^]bis(nitrato-κO)zinc(II)","","- C28 H24 N10 O6 Zn -","- C28 H24 N10 O6 Zn -","- C112 H96 N40 O24 Zn4 -","4","0.5","LF3051","Liu, Feng Yi; Zhou, Dong Mei; Zhao, Xiao Lan; Kou, Jun Feng","Synthesis, crystal structures and luminescence properties of seven mononuclear zinc(II), cadmium(II), cobalt(II) and nickel(II) complexes with 5-(4-methylphenyl)-3-(pyridin-2-yl)-1H-1,2,4-triazole.","Acta crystallographica. Section C, Structural chemistry","2017","73","Pt 5","382","392","10.1107/S2053229617004697","","","0.71073","MoKα","","0.0313","0.028","","","0.0724","0.074","","","","","","1.041","","","","has coordinates","246149","2020-10-21","18:00:00",""
"2311875","12.297","0.003","12.663","0.003","9.99","0.002","90","","111.58","0.03","90","","1446.6","0.6","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","Bis(methanol-κO)bis[5-(4-methylphenyl)-3-(pyridin-2-yl)-1<i>H</i>-1,2,4-\ triazolato-κ^2^<i>N</i>^1^,<i>N</i>^5^]zinc(II)","","- C30 H30 N8 O2 Zn -","- C30 H30 N8 O2 Zn -","- C60 H60 N16 O4 Zn2 -","2","0.5","LF3051","Liu, Feng Yi; Zhou, Dong Mei; Zhao, Xiao Lan; Kou, Jun Feng","Synthesis, crystal structures and luminescence properties of seven mononuclear zinc(II), cadmium(II), cobalt(II) and nickel(II) complexes with 5-(4-methylphenyl)-3-(pyridin-2-yl)-1H-1,2,4-triazole.","Acta crystallographica. Section C, Structural chemistry","2017","73","Pt 5","382","392","10.1107/S2053229617004697","","","0.71073","MoKα","","0.0829","0.0417","","","0.0911","0.1125","","","","","","0.99","","","","has coordinates,has disorder","246149","2020-10-21","18:00:00",""
"2311876","18.848","0.004","11.254","0.002","15.707","0.003","90","","119.44","0.03","90","","2901.5","1.3","293","2","293","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","Diiodidobis[5-(4-methylphenyl)-3-(pyridin-2-yl)-1H-1,2,4-\ triazole-κ^2^<i>N</i>^3^,<i>N</i>^4^]cadmium(II)","","- C28 H24 Cd I2 N8 -","- C28 H24 Cd I2 N8 -","- C112 H96 Cd4 I8 N32 -","4","0.5","LF3051","Liu, Feng Yi; Zhou, Dong Mei; Zhao, Xiao Lan; Kou, Jun Feng","Synthesis, crystal structures and luminescence properties of seven mononuclear zinc(II), cadmium(II), cobalt(II) and nickel(II) complexes with 5-(4-methylphenyl)-3-(pyridin-2-yl)-1H-1,2,4-triazole.","Acta crystallographica. Section C, Structural chemistry","2017","73","Pt 5","382","392","10.1107/S2053229617004697","","","0.71073","MoKα","","0.0415","0.0402","","","0.1009","0.102","","","","","","1.096","","","","has coordinates","246149","2020-10-21","18:00:00",""
"2311877","17.113","0.003","12.603","0.003","14.708","0.003","90","","115.8","0.03","90","","2855.9","1.3","293","2","293","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","Bis[5-(4-methylphenyl)-3-(pyridin-2-yl)-1<i>H</i>-1,2,4-\ triazole-κ^2^<i>N</i>^3^,<i>N</i>^4^]bis(nitrato-κ<i>O</i>)cadmium(II)","","- C28 H24 Cd N10 O6 -","- C28 H24 Cd N10 O6 -","- C112 H96 Cd4 N40 O24 -","4","0.5","LF3051","Liu, Feng Yi; Zhou, Dong Mei; Zhao, Xiao Lan; Kou, Jun Feng","Synthesis, crystal structures and luminescence properties of seven mononuclear zinc(II), cadmium(II), cobalt(II) and nickel(II) complexes with 5-(4-methylphenyl)-3-(pyridin-2-yl)-1H-1,2,4-triazole.","Acta crystallographica. Section C, Structural chemistry","2017","73","Pt 5","382","392","10.1107/S2053229617004697","","","0.71073","MoKα","","0.0331","0.03","","","0.0672","0.0684","","","","","","1.065","","","","has coordinates","246149","2020-10-21","18:00:00",""
"2311878","28.735","0.006","7.4617","0.0015","12.421","0.003","90","","111.79","0.03","90","","2472.9","1.1","293","2","293","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","Aquabis[5-(4-methylphenyl)-3-(pyridin-2-yl)-1<i>H</i>-1,2,4-triazolato-κ^2^<i>N</i>^1^,<i>N</i>^5^]cobalt(II)","","- C28 H24 Co N8 O -","- C28 H24 Co N8 O -","- C112 H96 Co4 N32 O4 -","4","0.5","LF3051","Liu, Feng Yi; Zhou, Dong Mei; Zhao, Xiao Lan; Kou, Jun Feng","Synthesis, crystal structures and luminescence properties of seven mononuclear zinc(II), cadmium(II), cobalt(II) and nickel(II) complexes with 5-(4-methylphenyl)-3-(pyridin-2-yl)-1H-1,2,4-triazole.","Acta crystallographica. Section C, Structural chemistry","2017","73","Pt 5","382","392","10.1107/S2053229617004697","","","0.71073","MoKα","","0.0355","0.0285","","","0.0676","0.071","","","","","","1.068","","","","has coordinates","246149","2020-10-21","18:00:00",""
"2311879","26.778","0.005","7.4858","0.0015","12.472","0.003","90","","92.91","0.03","90","","2496.8","0.9","293","2","293","2","","","","","","","","5","I 1 2/a 1","-I 2ya","15","","Diaquabis[5-(4-methylphenyl)-3-(pyridin-2-yl)-1<i>H</i>-1,2,4-triazolato-\ κ^2^<i>N</i>^1^,<i>N</i>^5^]nickel(II)","","- C28 H26 N8 Ni O2 -","- C28 H26 N8 Ni O2 -","- C112 H104 N32 Ni4 O8 -","4","0.5","LF3051","Liu, Feng Yi; Zhou, Dong Mei; Zhao, Xiao Lan; Kou, Jun Feng","Synthesis, crystal structures and luminescence properties of seven mononuclear zinc(II), cadmium(II), cobalt(II) and nickel(II) complexes with 5-(4-methylphenyl)-3-(pyridin-2-yl)-1H-1,2,4-triazole.","Acta crystallographica. Section C, Structural chemistry","2017","73","Pt 5","382","392","10.1107/S2053229617004697","","","0.71073","MoKα","","0.0266","0.0241","","","0.0662","0.0673","","","","","","1.071","","","","has coordinates","246149","2020-10-21","18:00:00",""
"2311880","10.6203","0.0012","11.8441","0.0013","12.3126","0.0013","99.255","0.006","100.973","0.005","111.584","0.005","1367.9","0.3","150","2","150","2","","","","","","","","5","P -1","-P 1","2","","(3-Ferrocenylprop-2-en-1-yl)triphenylphosphonium iodide","","- C31 H28 Fe I P -","- C31 H28 Fe I P -","- C62 H56 Fe2 I2 P2 -","2","1","KU3195","Bouchene, Rafika; Daran, Jean Claude; Merazig, Hocine; Manoury, Eric; Bouacida, Sofiane","Selective synthesis of (3-ferrocenylprop-2-en-1-yl)triphenylphosphonium iodide: crystal structure determination of two polymorphs.","Acta crystallographica. Section C, Structural chemistry","2017","73","Pt 5","376","381","10.1107/S2053229617004867","","","0.71073","MoKα","","0.0438","0.0331","","","0.0681","0.0776","","","","","","1.153","","","","has coordinates","246150","2020-10-21","18:00:00",""
"2311881","10.109","0.0016","10.6299","0.0015","25.148","0.004","90","","102.868","0.007","90","","2634.5","0.7","150","2","150","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","(3-Ferrocenylprop-2-en-1-yl)triphenylphosphonium iodide","","- C31 H28 Fe I P -","- C31 H28 Fe I P -","- C124 H112 Fe4 I4 P4 -","4","1","KU3195","Bouchene, Rafika; Daran, Jean Claude; Merazig, Hocine; Manoury, Eric; Bouacida, Sofiane","Selective synthesis of (3-ferrocenylprop-2-en-1-yl)triphenylphosphonium iodide: crystal structure determination of two polymorphs.","Acta crystallographica. Section C, Structural chemistry","2017","73","Pt 5","376","381","10.1107/S2053229617004867","","","0.71073","MoKα","","0.0471","0.0269","","","0.0445","0.0489","","","","","","1.007","","","","has coordinates,has disorder","246150","2020-10-21","18:00:00",""
"2311882","8.9262","0.0009","9.9679","0.001","14.9683","0.0013","90","","101.825","0.01","90","","1303.5","0.2","293","2","293","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","Bis(4-aminopyridine-κ<i>N</i>^1^)dichloridocobalt(II)","","- C10 H12 Cl2 Co N4 -","- C10 H12 Cl1.954 Co0.973 N4 -","- C40 H48 Cl7.816 Co3.892 N16 -","4","0.5","YO3026","Sanchez Montilva, Olga Carolina; Movilla, Federico; Rodriguez, Maricel Gabriela; Di Salvo, Florencia","Synthesis, crystal structure and study of the crystal packing in the complex bis(4-aminopyridine-κN<sup>1</sup>)dichloridocobalt(II).","Acta crystallographica. Section C, Structural chemistry","2017","73","Pt 5","399","406","10.1107/S2053229617004880","","","0.71073","MoKα","","0.1316","0.0616","","","0.1087","0.1432","","","","","","1.009","","","","has coordinates,has disorder","246151","2020-10-21","18:00:00",""
"2311883","10.5788","0.0011","6.2806","0.0005","15.8478","0.0019","90","","105.272","0.012","90","","1015.76","0.19","292","2","292","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","Bis(3-{[(3-hydroxypropyl)imino]methyl}-4-nitrophenolato-κ^3^<i>O</i>,<i>N</i>,<i>O</i>')copper(II)","","- C20 H22 Cu N4 O8 -","- C20 H22 Cu N4 O8 -","- C40 H44 Cu2 N8 O16 -","2","0.5","LF3053","Kocak, Cagdas; Oylumluoglu, Gorkem; Donmez, Adem; Coban, M. Burak; Erkarslan, Ugur; Aygun, Muhittin; Kara, Hulya","Crystal structure and photoluminescence properties of a new monomeric copper(II) complex: bis(3-{[(3-hydroxypropyl)imino]methyl}-4-nitrophenolato-κ<sup>3</sup>O,N,O')copper(II).","Acta crystallographica. Section C, Structural chemistry","2017","73","Pt 5","414","419","10.1107/S2053229617005976","","","0.71073","MoKα","","0.0943","0.0556","","","0.1017","0.1203","","","","","","1.027","","","","has coordinates","246152","2020-10-21","18:00:00",""
"2311884","4.7443","0.0003","39.332","0.002","6.7618","0.0004","90","","100.99","0.003","90","","1238.63","0.13","140","2","140","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","N-benzylnicotinamide","3-Aminocarbonyl-1-benzylpyridinium bromide","","- C13 H13 Br N2 O -","- C13 H13 Br N2 O -","- C52 H52 Br4 N8 O4 -","4","1","SK3659","Moore, John M.; Hall, Jasmine M.; Dilling, Wendell L.; Jensen, Anton W.; Squattrito, Philip J.; Giolando, Patrick; Kirschbaum, Kristin","N-Benzylnicotinamide and N-benzyl-1,4-dihydronicotinamide: useful models for NAD<sup>+</sup> and NADH.","Acta crystallographica. Section C, Structural chemistry","2017","73","Pt 7","531","535","10.1107/S2053229617008877","","","1.54178","CuKα","","0.0386","0.0377","","","0.0868","0.0873","","","","","","1.255","","","","has coordinates","246153","2020-10-21","18:00:00",""
"2311885","12.0186","0.0008","5.7435","0.0004","16.1124","0.0011","90","","94.474","0.001","90","","1108.83","0.13","120","2","120","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","N-benzyl-1,4-dihydronicotinamide","1-Benzyl-1,4-dihydropyridine-3-carboxamide","","- C13 H14 N2 O -","- C13 H14 N2 O -","- C52 H56 N8 O4 -","4","1","SK3659","Moore, John M.; Hall, Jasmine M.; Dilling, Wendell L.; Jensen, Anton W.; Squattrito, Philip J.; Giolando, Patrick; Kirschbaum, Kristin","N-Benzylnicotinamide and N-benzyl-1,4-dihydronicotinamide: useful models for NAD<sup>+</sup> and NADH.","Acta crystallographica. Section C, Structural chemistry","2017","73","Pt 7","531","535","10.1107/S2053229617008877","","","0.71073","MoKα","","0.0505","0.0436","","","0.1117","0.1179","","","","","","1.05","","","","has coordinates","246153","2020-10-21","18:00:00",""
"2311886","4.869","0.001","11.071","0.002","15.807","0.003","90","","90","","90","","852.1","0.3","293","2","293","2","","","","","","","","4","P n m a","-P 2ac 2n","62","aluminium dihydrogen arsenate dihydrogen diarsenate","Aluminium [dihydrogen arsenate(V)] dihydrogen diarsenate(V)","","- Al As3 H4 O11 -","- Al As3 H4 O11 -","- Al4 As12 H16 O44 -","4","0.5","LY3048","Schwendtner, Karolina; Kolitsch, Uwe","M<sup>3+</sup>(H<sub>2</sub>AsO<sub>4</sub>)(H<sub>2</sub>As<sub>2</sub>O<sub>7</sub>) (M<sup>3+</sup> = Al, Ga) and In<sub>2</sub>(H<sub>2</sub>AsO<sub>4</sub>)<sub>2</sub>(H<sub>2</sub>As<sub>2</sub>O<sub>7</sub>)<sub>2</sub>: a new layer structure type and a new framework structure type containing the rare H<sub>2</sub>As<sub>2</sub>O<sub>7</sub><sup>2-</sup> group.","Acta crystallographica. Section C, Structural chemistry","2017","73","Pt 8","600","608","10.1107/S2053229617009676","","","0.71073","MoKα","","0.041","0.0276","","","0.0587","0.0623","","","","","","1.097","","","","has coordinates","246154","2020-10-21","18:00:00",""
"2311887","4.916","0.001","11.213","0.002","15.853","0.003","90","","90","","90","","873.9","0.3","293","2","293","2","","","","","","","","4","P n m a","-P 2ac 2n","62","gallium dihydrogen arsenate dihydrogen diarsenate","Gallium dihydrogen arsenate(V) dihydrogen diarsenate(V)","","- As3 Ga H4 O11 -","- As3 Ga H3 O11 -","- As12 Ga4 H12 O44 -","4","0.5","LY3048","Schwendtner, Karolina; Kolitsch, Uwe","M<sup>3+</sup>(H<sub>2</sub>AsO<sub>4</sub>)(H<sub>2</sub>As<sub>2</sub>O<sub>7</sub>) (M<sup>3+</sup> = Al, Ga) and In<sub>2</sub>(H<sub>2</sub>AsO<sub>4</sub>)<sub>2</sub>(H<sub>2</sub>As<sub>2</sub>O<sub>7</sub>)<sub>2</sub>: a new layer structure type and a new framework structure type containing the rare H<sub>2</sub>As<sub>2</sub>O<sub>7</sub><sup>2-</sup> group.","Acta crystallographica. Section C, Structural chemistry","2017","73","Pt 8","600","608","10.1107/S2053229617009676","","","0.71073","MoKα","","0.0364","0.0309","","","0.0794","0.0818","","","","","","1.14","","","","has coordinates","246154","2020-10-21","18:00:00",""
"2311888","12.487","0.002","11.529","0.002","12.553","0.003","90","","101.4","0.03","90","","1771.5","0.6","293","2","293","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","indum dihydrogen arsenate dihydrogen diarsenate","Diindium bis[dihydrogen arsenate(V)] bis[dihydrogen diarsenate(V)]","","- As6 H8 In2 O22 -","- As6 H5 In2 O22 -","- As24 H20 In8 O88 -","4","1","LY3048","Schwendtner, Karolina; Kolitsch, Uwe","M<sup>3+</sup>(H<sub>2</sub>AsO<sub>4</sub>)(H<sub>2</sub>As<sub>2</sub>O<sub>7</sub>) (M<sup>3+</sup> = Al, Ga) and In<sub>2</sub>(H<sub>2</sub>AsO<sub>4</sub>)<sub>2</sub>(H<sub>2</sub>As<sub>2</sub>O<sub>7</sub>)<sub>2</sub>: a new layer structure type and a new framework structure type containing the rare H<sub>2</sub>As<sub>2</sub>O<sub>7</sub><sup>2-</sup> group.","Acta crystallographica. Section C, Structural chemistry","2017","73","Pt 8","600","608","10.1107/S2053229617009676","","","0.71073","MoKα","","0.0422","0.0338","","","0.0698","0.0718","","","","","","1.222","","","","has coordinates","246154","2020-10-21","18:00:00",""
"2311889","12.363","0.0004","12.6281","0.0005","16.3765","0.0006","89.948","0.003","95.46","0.003","96.455","0.003","2528.86","0.16","295","2","295","2","","","","","","","","5","P -1","-P 1","2","","Bis(tetra-<i>n</i>-butylammonium) diaquabis(2,4-dioxo-1,2,3,4-tetrahydropyrimidin-1-ide-6-carboxylato-κ<i>N</i>^1^)cobalt(II) 1.8-hydrate","","- C42 H83.6 Co N6 O11.8 -","- C42 H80 Co N6 O11.8 -","- C84 H160 Co2 N12 O23.6 -","2","1","SK3662","Castro, Miguel; Falvello, Larry R.; Forcén-Vázquez, Elena; Guerra, Pablo; Al-Kenany, Nuha A; Martínez, Gema; Tomás, Milagros","A phase transition caught in mid-course: independent and concomitant analyses of the monoclinic and triclinic structures of (<sup>n</sup>Bu<sub>4</sub>N)[Co(orotate)<sub>2</sub>(bipy)]·3H<sub>2</sub>O.","Acta crystallographica. Section C, Structural chemistry","2017","73","Pt 9","731","742","10.1107/S2053229617010841","","","0.71073","MoKα","","0.1078","0.0469","","","0.0951","0.1034","","","","","","1.033","","","","has coordinates,has disorder","246155","2020-10-21","18:00:00",""
"2311890","13.1679","0.0012","9.3413","0.0009","16.3388","0.0014","90","","102.669","0.009","90","","1960.8","0.3","277","1","277","1","","","","","","","","5","P 1 2/n 1","-P 2yac","13","","Tetra-<i>n</i>-butylammonium (2,2'-bipyridine-κ^2^<i>N</i>,<i>N</i>')bis(2,4-dioxo-1,2,3,4-\ tetrahydropyrimidin-1-ide-6-carboxylato-κ<i>N</i>^1^)cobalt(III) trihydrate","","- C36 H54 Co N7 O11 -","- C36 H54 Co N7 O11 -","- C72 H108 Co2 N14 O22 -","2","0.5","SK3662","Castro, Miguel; Falvello, Larry R.; Forcén-Vázquez, Elena; Guerra, Pablo; Al-Kenany, Nuha A; Martínez, Gema; Tomás, Milagros","A phase transition caught in mid-course: independent and concomitant analyses of the monoclinic and triclinic structures of (<sup>n</sup>Bu<sub>4</sub>N)[Co(orotate)<sub>2</sub>(bipy)]·3H<sub>2</sub>O.","Acta crystallographica. Section C, Structural chemistry","2017","73","Pt 9","731","742","10.1107/S2053229617010841","","","0.71073","MoKα","","0.1107","0.0549","","","0.1019","0.11","","","","","","1.021","","","","has coordinates","246155","2020-10-21","18:00:00",""
"2311891","12.9054","0.0008","9.3791","0.0008","16.129","0.0012","88.724","0.006","102.898","0.006","88.528","0.006","1901.6","0.2","100","1","100","1","","","","","","","","5","P -1","-P 1","2","","Tetra-<i>n</i>-butylammonium (2,2'-bipyridine-κ^2^<i>N</i>,<i>N</i>')bis(2,4-dioxo-1,2,3,4-\ tetrahydropyrimidin-1-ide-6-carboxylato-κ<i>N</i>^1^)cobalt(III) trihydrate","","- C36 H54 Co N7 O11 -","- C36 H48 Co N7 O11 -","- C72 H96 Co2 N14 O22 -","2","1","SK3662","Castro, Miguel; Falvello, Larry R.; Forcén-Vázquez, Elena; Guerra, Pablo; Al-Kenany, Nuha A; Martínez, Gema; Tomás, Milagros","A phase transition caught in mid-course: independent and concomitant analyses of the monoclinic and triclinic structures of (<sup>n</sup>Bu<sub>4</sub>N)[Co(orotate)<sub>2</sub>(bipy)]·3H<sub>2</sub>O.","Acta crystallographica. Section C, Structural chemistry","2017","73","Pt 9","731","742","10.1107/S2053229617010841","","","0.71073","MoKα","","0.1377","0.0949","","","0.2251","0.2481","","","","","","1.439","","","","has coordinates","246155","2020-10-21","18:00:00",""
"2311892","13.0259","0.0004","9.3504","0.0003","16.3308","0.0005","90","","103.847","0.003","90","","1931.24","0.11","220","1","220","1","","","","","","","","5","P 1 2/n 1","-P 2yac","13","","Tetra-<i>n</i>-butylammonium (2,2'-bipyridine-κ^2^<i>N</i>,<i>N</i>')bis(2,4-dioxo-1,2,3,4-\ tetrahydropyrimidin-1-ide-6-carboxylato-κ<i>N</i>^1^)cobalt(III) trihydrate","","- C36 H54 Co N7 O11 -","- C36 H54 Co N7 O11 -","- C72 H108 Co2 N14 O22 -","2","0.5","SK3662","Castro, Miguel; Falvello, Larry R.; Forcén-Vázquez, Elena; Guerra, Pablo; Al-Kenany, Nuha A; Martínez, Gema; Tomás, Milagros","A phase transition caught in mid-course: independent and concomitant analyses of the monoclinic and triclinic structures of (<sup>n</sup>Bu<sub>4</sub>N)[Co(orotate)<sub>2</sub>(bipy)]·3H<sub>2</sub>O.","Acta crystallographica. Section C, Structural chemistry","2017","73","Pt 9","731","742","10.1107/S2053229617010841","","","0.71073","MoKα","","0.0587","0.048","","","0.1255","0.1294","","","","","","1.07","","","","has coordinates","246155","2020-10-21","18:00:00",""
"2311893","13.008","0.0008","9.332","0.0006","16.3753","0.0012","90","","104.364","0.007","90","","1925.7","0.2","170","1","170","1","","","","","","","","5","P 1 2/n 1","-P 2yac","13","","Tetra-<i>n</i>-butylammonium (2,2'-bipyridine-κ^2^<i>N</i>,<i>N</i>')bis(2,4-dioxo-1,2,3,4-\ tetrahydropyrimidin-1-ide-6-carboxylato-κ<i>N</i>^1^)cobalt(III) trihydrate","","- C36 H54 Co N7 O11 -","- C36 H54 Co N7 O11 -","- C72 H108 Co2 N14 O22 -","2","0.5","SK3662","Castro, Miguel; Falvello, Larry R.; Forcén-Vázquez, Elena; Guerra, Pablo; Al-Kenany, Nuha A; Martínez, Gema; Tomás, Milagros","A phase transition caught in mid-course: independent and concomitant analyses of the monoclinic and triclinic structures of (<sup>n</sup>Bu<sub>4</sub>N)[Co(orotate)<sub>2</sub>(bipy)]·3H<sub>2</sub>O.","Acta crystallographica. Section C, Structural chemistry","2017","73","Pt 9","731","742","10.1107/S2053229617010841","","","0.71073","MoKα","","0.0847","0.0664","","","0.153","0.1646","","","","","","1.075","","","","has coordinates,has disorder","246155","2020-10-21","18:00:00",""
"2311894","13.0155","0.0015","9.4028","0.0014","16.264","0.0017","88.794","0.011","103.054","0.009","88.687","0.011","1937.8","0.4","170","1","170","1","","","","","","","","5","P -1","-P 1","2","","Tetra-<i>n</i>-butylammonium (2,2'-bipyridine-κ^2^<i>N</i>,<i>N</i>')bis(2,4-dioxo-1,2,3,4-\ tetrahydropyrimidin-1-ide-6-carboxylato-κ<i>N</i>^1^)cobalt(III) trihydrate","","- C36 H54 Co N7 O11 -","- C36 H54 Co N7 O11 -","- C72 H108 Co2 N14 O22 -","2","1","SK3662","Castro, Miguel; Falvello, Larry R.; Forcén-Vázquez, Elena; Guerra, Pablo; Al-Kenany, Nuha A; Martínez, Gema; Tomás, Milagros","A phase transition caught in mid-course: independent and concomitant analyses of the monoclinic and triclinic structures of (<sup>n</sup>Bu<sub>4</sub>N)[Co(orotate)<sub>2</sub>(bipy)]·3H<sub>2</sub>O.","Acta crystallographica. Section C, Structural chemistry","2017","73","Pt 9","731","742","10.1107/S2053229617010841","","","0.71073","MoKα","","0.0712","0.0617","","","0.1549","0.1608","","","","","","1.052","","","","has coordinates","246155","2020-10-21","18:00:00",""
"2311895","13.3664","0.0015","13.3664","0.0015","5.964","0.0009","90","","90","","120","","922.8","0.2","296","2","296","2","","","","","","","","2","R -3 :H","-R 3","148","","Triyttrium tetragold","","- Au4 Y3 -","- Au4 Y3 -","- Au24 Y18 -","6","0.333333","WQ3137","Celania, Chris; Smetana, Volodymyr; Mudring, Anja Verena","Crystal structures and new perspectives on Y<sub>3</sub>Au<sub>4</sub> and Y<sub>14</sub>Au<sub>51</sub>.","Acta crystallographica. Section C, Structural chemistry","2017","73","Pt 9","692","696","10.1107/S2053229617011068","","","0.71073","MoKα","","0.0661","0.0471","","","0.0883","0.094","","","","","","1.036","","","","has coordinates","246156","2020-10-21","18:00:00",""
"2311896","12.5433","0.0017","12.5433","0.0017","9.1389","0.0014","90","","90","","120","","1245.2","0.3","293","2","293","2","","","","","","","","2","P 6/m","-P 6","175","","Tetradecayttrium henpentacontagold","","- Au51 Y14 -","- Au51 Y14 -","- Au51 Y14 -","1","0.0833333","WQ3137","Celania, Chris; Smetana, Volodymyr; Mudring, Anja Verena","Crystal structures and new perspectives on Y<sub>3</sub>Au<sub>4</sub> and Y<sub>14</sub>Au<sub>51</sub>.","Acta crystallographica. Section C, Structural chemistry","2017","73","Pt 9","692","696","10.1107/S2053229617011068","","","0.71073","MoKα","","0.027","0.0223","","","0.0418","0.0437","","","","","","1.128","","","","has coordinates","246156","2020-10-21","18:00:00",""
"2311897","4.9221","0.0001","8.4974","0.0002","24.1323","0.0007","90","","91.61","0.001","90","","1008.94","0.04","100","0.2","100","0.2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","4-[(2,2-Difluoroethoxy)methyl]pyridinium iodide","","- C8 H10 F2 I N O -","- C8 H10 F2 I N O -","- C32 H40 F8 I4 N4 O4 -","4","1","KU3200","Lu, Norman; Wei, Rong Jyun; Chiang, Hsing Fang; Thrasher, Joseph S.; Wen, Yuh Sheng; Liu, Ling Kang","Weak hydrogen and halogen bonding in 4-[(2,2-difluoroethoxy)methyl]pyridinium iodide and 4-[(3-chloro-2,2,3,3-tetrafluoropropoxy)methyl]pyridinium iodide.","Acta crystallographica. Section C, Structural chemistry","2017","73","Pt 9","682","687","10.1107/S2053229617011172","","","0.71073","MoKα","","0.0144","0.0141","","","0.0288","0.0289","","","","","","1.284","","","","has coordinates","246157","2020-10-21","18:00:00",""
"2311898","5.3299","0.0002","27.5016","0.0007","8.3227","0.0002","90","","91.813","0.002","90","","1219.34","0.06","100","0.2","100","0.2","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","4-[(3-Chloro-2,2,3,3-tetrafluoropropoxy)methyl]pyridinium iodide","","- C9 H9 Cl F4 I N O -","- C9 H9 Cl F4 I N O -","- C36 H36 Cl4 F16 I4 N4 O4 -","4","1","KU3200","Lu, Norman; Wei, Rong Jyun; Chiang, Hsing Fang; Thrasher, Joseph S.; Wen, Yuh Sheng; Liu, Ling Kang","Weak hydrogen and halogen bonding in 4-[(2,2-difluoroethoxy)methyl]pyridinium iodide and 4-[(3-chloro-2,2,3,3-tetrafluoropropoxy)methyl]pyridinium iodide.","Acta crystallographica. Section C, Structural chemistry","2017","73","Pt 9","682","687","10.1107/S2053229617011172","","","0.71073","MoKα","","0.0184","0.0179","","","0.0368","0.037","","","","","","1.199","","","","has coordinates","246157","2020-10-21","18:00:00",""
"2311899","5.9758","0.0005","36.456","0.003","24.363","0.002","90","","91.997","0.003","90","","5304.3","0.8","150","","150","","","","","","","","","4","C 1 c 1","C -2yc","9","","Ferrocenecarboxylic anhydride","","- C22 H18 Fe2 O3 -","- C22 H18 Fe2 O3 -","- C264 H216 Fe24 O36 -","12","3","YF3122","Tazi, Mehdi; Roisnel, Thierry; Mongin, Florence; Erb, William","Ferrocenecarboxylic anhydride: identification of a new polymorph.","Acta crystallographica. Section C, Structural chemistry","2017","73","Pt 10","760","766","10.1107/S205322961701124X","","","0.71073","MoKα","","0.0509","0.049","","","0.1181","0.1189","","","","","","1.106","","","","has coordinates","246158","2020-10-21","18:00:00",""
"2311900","7.8161","0.0002","11.3126","0.0003","12.2248","0.0003","116.339","0.0012","99.6342","0.0014","98.3722","0.0013","925","0.04","123","","123","","","","","","","","","7","P -1","-P 1","2","","Di-μ-bromido-bis({η^3^-[4-(dimethylamino)pyridinium-1-yl]cycloheptatrienido}palladium(II)) bis(tetrafluoroborate) acetonitrile disolvate","","- C32 H38 B2 Br2 F8 N6 Pd2 -","- C32 H38 B2 Br2 F8 N6 Pd2 -","- C32 H38 B2 Br2 F8 N6 Pd2 -","1","0.5","EG3226","Jandl, C.; Stegbauer, S.; Pöthig, A","A halide-free pyridinium-substituted η<sup>3</sup>-cycloheptatrienide-Pd complex.","Acta crystallographica. Section C, Structural chemistry","2017","73","Pt 9","754","759","10.1107/S2053229617012244","","","0.71073","MoKα","","0.0262","0.0235","","","0.0601","0.0616","","","","","","1.052","","","","has coordinates,has disorder","246160","2020-10-21","18:00:00",""
"2311901","20.361","0.003","8.9068","0.0011","24.876","0.003","90","","95.035","0.005","90","","4493.9","1","123","","123","","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","Diacetonitrile{η^3^-[4-(dimethylamino)pyridinium-1-yl]cycloheptatrienido}\ palladium(II) bis(tetrafluoroborate)","","- C18 H22 Br2 F8 N4 Pd -","- C18 H22 B1.9995 F7.998 N4 Pd -","- C144 H176 B15.996 F63.984 N32 Pd8 -","8","2","EG3226","Jandl, C.; Stegbauer, S.; Pöthig, A","A halide-free pyridinium-substituted η<sup>3</sup>-cycloheptatrienide-Pd complex.","Acta crystallographica. Section C, Structural chemistry","2017","73","Pt 9","754","759","10.1107/S2053229617012244","","","0.71073","MoKα","","0.0236","0.0224","","","0.0582","0.0591","","","","","","1.054","","","","has coordinates,has disorder","246160","2020-10-21","18:00:00",""
"2311902","12.5854","0.001","10.0901","0.0007","19.8568","0.0016","90","","90","","90","","2521.6","0.3","293.15","0.02","293.15","0.02","","","","","","","","4","P b c a","-P 2ac 2ab","61","2,6-Diaminopyridine‒piracetam (1/1)","2,6-Diaminopyridine‒2-(2-oxopyrrolidin-1-yl)acetamide (1/1)","","- C11 H17 N5 O2 -","- C11 H17 N5 O2 -","- C88 H136 N40 O16 -","8","1","FN3239","Durán-Palma, Melissa Hidekel; Mendoza-Barraza, Sonia Sanet; Magaña-Vergara, Nancy Evelyn; Martínez-Martínez, Francisco Javier; González-González, Juan Saulo","Crystal structure of pharmaceutical cocrystals of 2,6-diaminopyridine with piracetam and theophylline.","Acta crystallographica. Section C, Structural chemistry","2017","73","Pt 10","767","772","10.1107/S205322961701230X","","","0.71073","MoKα","","0.0619","0.0561","","","0.13","0.136","","","","","","1.191","","","","has coordinates","246161","2020-10-21","18:00:00",""
"2311903","9.5439","0.0003","15.6588","0.0005","9.4887","0.0003","90","","109.927","0.001","90","","1333.15","0.07","293","2","293","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","2,6-Diaminopyridine‒theophylline (1/1)","2,6-Diaminopyridine‒1,3-dimethyl-7<i>H</i>-purine-2,6-dione (1/1)","","- C12 H15 N7 O2 -","- C12 H15 N7 O2 -","- C48 H60 N28 O8 -","4","1","FN3239","Durán-Palma, Melissa Hidekel; Mendoza-Barraza, Sonia Sanet; Magaña-Vergara, Nancy Evelyn; Martínez-Martínez, Francisco Javier; González-González, Juan Saulo","Crystal structure of pharmaceutical cocrystals of 2,6-diaminopyridine with piracetam and theophylline.","Acta crystallographica. Section C, Structural chemistry","2017","73","Pt 10","767","772","10.1107/S205322961701230X","","","0.71073","MoKα","","0.0396","0.0377","","","0.1059","0.1079","","","","","","1.052","","","","has coordinates","246161","2020-10-21","18:00:00",""
"2311904","15.0609","0.0002","5.0408","0.0001","16.0954","0.0002","90","","112.72","","90","","1127.13","0.03","100","2","100","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C10 H9 N3 O3 S2 -","- C10 H9 N3 O3 S2 -","- C40 H36 N12 O12 S8 -","4","1","FN3245","Szczesio, Małgorzata; Olczak, Andrzej; Gobis, Katarzyna; Główka, Marek L","Planarity of benzoylthiocarbazate tuberculostatics. IV. Polymorphs of N'-(1,3-dithiolan-2-ylidene)-4-nitrobenzohydrazide.","Acta crystallographica. Section C, Structural chemistry","2017","73","Pt 10","797","802","10.1107/S2053229617012566","","","1.54178","CuKα","","0.0235","0.0231","","","0.061","0.0613","","","","","","1.056","","","","has coordinates","246162","2020-10-21","18:00:00",""
"2311905","5.0506","0.0002","8.0441","0.0003","14.1954","0.0005","96.877","0.001","95.134","0.002","96.306","0.001","566.02","0.04","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","","","- C10 H9 N3 O3 S2 -","- C10 H9 N3 O3 S2 -","- C20 H18 N6 O6 S4 -","2","1","FN3245","Szczesio, Małgorzata; Olczak, Andrzej; Gobis, Katarzyna; Główka, Marek L","Planarity of benzoylthiocarbazate tuberculostatics. IV. Polymorphs of N'-(1,3-dithiolan-2-ylidene)-4-nitrobenzohydrazide.","Acta crystallographica. Section C, Structural chemistry","2017","73","Pt 10","797","802","10.1107/S2053229617012566","","","1.54178","CuKα","","0.0265","0.0263","","","0.0717","0.072","","","","","","1.088","","","","has coordinates","246162","2020-10-21","18:00:00",""
"2311906","7.8582","0.0006","6.1279","0.0004","24.4164","0.0017","90","","98.211","0.002","90","","1163.7","0.14","100","2","100","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C10 H9 N3 O3 S2 -","- C10 H9 N3 O3 S2 -","- C40 H36 N12 O12 S8 -","4","1","FN3245","Szczesio, Małgorzata; Olczak, Andrzej; Gobis, Katarzyna; Główka, Marek L","Planarity of benzoylthiocarbazate tuberculostatics. IV. Polymorphs of N'-(1,3-dithiolan-2-ylidene)-4-nitrobenzohydrazide.","Acta crystallographica. Section C, Structural chemistry","2017","73","Pt 10","797","802","10.1107/S2053229617012566","","","1.54178","CuKα","","0.0345","0.0344","","","0.0991","0.0991","","","","","","1.14","","","","has coordinates","246162","2020-10-21","18:00:00",""
"2311907","7.3654","0.0003","6.455","0.0002","25.8911","0.0009","90","","90.808","0.001","90","","1230.84","0.08","100","2","100","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C10 H11 N3 O4 S2 -","- C10 H11 N3 O4 S2 -","- C40 H44 N12 O16 S8 -","4","1","FN3245","Szczesio, Małgorzata; Olczak, Andrzej; Gobis, Katarzyna; Główka, Marek L","Planarity of benzoylthiocarbazate tuberculostatics. IV. Polymorphs of N'-(1,3-dithiolan-2-ylidene)-4-nitrobenzohydrazide.","Acta crystallographica. Section C, Structural chemistry","2017","73","Pt 10","797","802","10.1107/S2053229617012566","","","1.54178","CuKα","","0.0261","0.0259","","","0.0684","0.0686","","","","","","1.08","","","","has coordinates","246162","2020-10-21","18:00:00",""
"2311908","12.014","0.0008","13.8692","0.0009","15.7804","0.001","84.797","0.001","89.778","0.001","74.914","0.001","2527.8","0.3","150","2","150","2","","","","","","","","4","P -1","-P 1","2","","Bis(2,6-di-<i>tert</i>-butyl-4-methylphenolato)-1κ<i>O</i>,2κ<i>O</i>-(1,2-dimethoxyethane-1κ^2^<i>O</i>,<i>O</i>')bis(μ-phenylmethanolato-1:2κ^2^<i>O</i>:<i>O</i>)(tetrahydrofuran-2κ<i>O</i>)dimagnesium(II)","","- C52 H78 Mg2 O7 -","- C52 H78 Mg2 O7 -","- C104 H156 Mg4 O14 -","2","1","KY3130","Minyaev, Mikhail E.; Churakov, Andrei V.; Nifant'ev, Ilya E.","Structural diversity of polynuclear Mg<sub>x</sub>O<sub>y</sub> cores in magnesium phenoxide complexes.","Acta crystallographica. Section C, Structural chemistry","2017","73","Pt 11","854","861","10.1107/S2053229617012657","","","0.71073","MoKα","","0.0641","0.0435","","","0.1049","0.1154","","","","","","1.025","","","","has coordinates,has disorder","246163","2020-10-21","18:00:00",""
"2311909","23.1969","0.0017","11.2068","0.0008","24.388","0.0017","90","","100.344","0.001","90","","6236.9","0.8","150","2","150","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","Bis(2,6-di-<i>tert</i>-butyl-4-methylphenolato)-1κ<i>O</i>,3κ<i>O</i>- tetrakis(μ-2-methylphenolato)-1:2κ^4^<i>O</i>:<i>O</i>;2:3κ^4^<i>O</i>:<i>O</i>-bis(tetrahydrofuran)-1κ<i>O</i>,3κ<i>O</i>-trimagnesium(II)","","- C66 H90 Mg3 O8 -","- C66 H90 Mg3 O8 -","- C264 H360 Mg12 O32 -","4","0.5","","Minyaev, Mikhail E.; Churakov, Andrei V.; Nifant'ev, Ilya E.","Structural diversity of polynuclear Mg<sub>x</sub>O<sub>y</sub> cores in magnesium phenoxide complexes.","Acta crystallographica. Section C, Structural chemistry","2017","73","Pt 11","854","861","10.1107/S2053229617012657","","","0.71073","MoKα","","0.07","0.0489","","","0.1302","0.1439","","","","","","1.024","","","","has coordinates,has disorder","246163","2020-10-21","18:00:00",""
"2311910","8.959","0.0005","20.4643","0.0011","13.5552","0.0007","90","","94.318","0.0008","90","","2478.2","0.2","150","2","150","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","Bis(μ~3~-2-aminoethanolato-κ^4^<i>O</i>:<i>O</i>:<i>O</i>,<i>N</i>)tetrakis(μ~2~-2-aminoethanolato-κ^3^<i>O</i>:<i>O</i>,<i>N</i>)bis(2,6-di-<i>tert</i>-butyl-4-methylphenolatoκ<i>O</i>)tetramagnesium(II)","","- C42 H82 Mg4 N6 O8 -","- C42 H82 Mg4 N6 O8 -","- C84 H164 Mg8 N12 O16 -","2","0.5","","Minyaev, Mikhail E.; Churakov, Andrei V.; Nifant'ev, Ilya E.","Structural diversity of polynuclear Mg<sub>x</sub>O<sub>y</sub> cores in magnesium phenoxide complexes.","Acta crystallographica. Section C, Structural chemistry","2017","73","Pt 11","854","861","10.1107/S2053229617012657","","","0.71073","MoKα","","0.0495","0.0376","","","0.103","0.1109","","","","","","1.035","","","","has coordinates","246163","2020-10-21","18:00:00",""
"2311911","26.6774","0.0016","26.6774","0.0016","10.3451","0.0006","90","","90","","120","","6376.1","0.7","100","2","100","2","","","","","","","","4","R -3 :H","-R 3","148","1-ethynyl-2-nitro-4,5-dipropoxybenzene","","","- C14 H17 N O4 -","- C14 H17 N O4 -","- C252 H306 N18 O72 -","18","1","FN3243","Oburn, Shalisa M.; Bosch, Eric","Unexpected beauty and diversity in the structures of three homologous 4,5-dialkoxy-1-ethynyl-2-nitrobenzenes: the subtle interplay between intermolecular C-H...O hydrogen bonds and alkyl chain length.","Acta crystallographica. Section C, Structural chemistry","2017","73","Pt 10","814","819","10.1107/S2053229617012761","","","0.71073","MoKα","","0.0611","0.0468","","","0.1265","0.1381","","","","","","1.055","","","","has coordinates","246164","2020-10-21","18:00:00",""
"2311912","8.5209","0.0005","18.0914","0.001","9.9579","0.0005","90","","97.967","0.001","90","","1520.24","0.14","100","2","100","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","1,2-dibutoxy-4-ethynyl-5-nitrobenzene","","- C16 H21 N O4 -","- C16 H21 N O4 -","- C64 H84 N4 O16 -","4","1","","Oburn, Shalisa M.; Bosch, Eric","Unexpected beauty and diversity in the structures of three homologous 4,5-dialkoxy-1-ethynyl-2-nitrobenzenes: the subtle interplay between intermolecular C-H...O hydrogen bonds and alkyl chain length.","Acta crystallographica. Section C, Structural chemistry","2017","73","Pt 10","814","819","10.1107/S2053229617012761","","","0.71073","MoKα","","0.0665","0.0413","","","0.0922","0.1029","","","","","","1.022","","","","has coordinates","246164","2020-10-21","18:00:00",""
"2311913","4.57","0.004","9.415","0.008","20.968","0.018","94.003","0.012","90.758","0.012","93.435","0.011","898.2","1.3","100","2","100","2","","","","","","","","4","P -1","-P 1","2","1-ethynyl-2-nitro-4,5-bis-pentoxybenzene","","","- C18 H25 N O4 -","- C18 H25 N O4 -","- C36 H50 N2 O8 -","2","1","","Oburn, Shalisa M.; Bosch, Eric","Unexpected beauty and diversity in the structures of three homologous 4,5-dialkoxy-1-ethynyl-2-nitrobenzenes: the subtle interplay between intermolecular C-H...O hydrogen bonds and alkyl chain length.","Acta crystallographica. Section C, Structural chemistry","2017","73","Pt 10","814","819","10.1107/S2053229617012761","","","0.71073","MoKα","","0.1465","0.0852","","","0.2308","0.2621","","","","","","1.03","","","","has coordinates","246164","2020-10-21","18:00:00",""
"2311914","8.4533","0.0002","10.238","0.0003","10.2552","0.0002","90","","107.881","0.001","90","","844.66","0.04","296","2","296","2","","","","","","","","4","P 1 21 1","P 2yb","4","","ethyl (1R,2R,3S,5S)-3-(benzoyloxy)-8-methyl-8-azabicyclo[3.2.1]octane-2-carboxylate","","- C18 H23 N O4 -","- C18 H23 N O4 -","- C36 H46 N2 O8 -","2","1","CU3117","Maia, Angélica Faleiros da Silva; Martins, Felipe T.; Silva Neto, Leonardo da; Alves, Rosemeire Brondi; De Fátima, Ângelo","Cocaethylene, the in vivo product of cocaine and ethanol, is a narcotic more potent than its precursors.","Acta crystallographica. Section C, Structural chemistry","2017","73","Pt 10","780","783","10.1107/S2053229617012852","","","1.54178","CuKα","","0.0374","0.0358","","","","0.1011","","","","","","1.027","","","","has coordinates","246165","2020-10-21","18:00:00",""
"2311915","16.9491","0.0005","12.3954","0.0004","30.5023","0.0009","90","","105.11","0.0004","90","","6186.7","0.3","100","2","100","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","Bis[bis(2,6-diisopropylphenyl)phosphato-κ<i>O</i>]chloridotetrakis(methanol-κ<i>O</i>)neodymium methanol disolvate","","- C54 H92 Cl Nd O14 P2 -","- C54 H92 Cl Nd O14 P2 -","- C216 H368 Cl4 Nd4 O56 P8 -","4","0.5","UK3140","Minyaev, Mikhail E.; Nifant'ev, Ilya E.; Tavtorkin, Alexander N.; Korchagina, Sof'ya A.; Zeynalova, Shadana Sh; Ananyev, Ivan V.; Churakov, Andrei V.","Isomorphous rare-earth bis[bis(2,6-diisopropylphenyl)phosphate] complexes and their self-assembly into two-dimensional frameworks by intramolecular hydrogen bonds.","Acta crystallographica. Section C, Structural chemistry","2017","73","Pt 10","820","827","10.1107/S2053229617012979","","","0.71073","MoKα","","0.0403","0.0343","","","0.0845","0.0875","","","","","","1.056","","","","has coordinates","246166","2020-10-21","18:00:00",""
"2311916","16.877","0.002","12.443","0.0017","30.404","0.004","90","","104.231","0.002","90","","6188.9","1.4","183","2","183","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","Bis[bis(2,6-diisopropylphenyl)phosphato-κ<i>O</i>]chloridotetrakis(methanol-κ<i>O</i>)lutetium methanol disolvate","","- C54 H92 Cl Lu O14 P2 -","- C54 H92 Cl Lu O14 P2 -","- C216 H368 Cl4 Lu4 O56 P8 -","4","0.5","UK3140","Minyaev, Mikhail E.; Nifant'ev, Ilya E.; Tavtorkin, Alexander N.; Korchagina, Sof'ya A.; Zeynalova, Shadana Sh; Ananyev, Ivan V.; Churakov, Andrei V.","Isomorphous rare-earth bis[bis(2,6-diisopropylphenyl)phosphate] complexes and their self-assembly into two-dimensional frameworks by intramolecular hydrogen bonds.","Acta crystallographica. Section C, Structural chemistry","2017","73","Pt 10","820","827","10.1107/S2053229617012979","","","0.71073","MoKα","","0.0279","0.0249","","","0.0592","0.0604","","","","","","1.048","","","","has coordinates","246166","2020-10-21","18:00:00",""
"2311917","16.9203","0.0005","12.3877","0.0004","30.3676","0.001","90","","104.708","0.001","90","","6156.6","0.3","100","2","100","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","Bis[bis(2,6-diisopropylphenyl)phosphato-κ<i>O</i>]chloridotetrakis(methanol-κ<i>O</i>)yttrium methanol disolvate","","- C54 H92 Cl O14 P2 Y -","- C54 H92 Cl O14 P2 Y -","- C216 H368 Cl4 O56 P8 Y4 -","4","0.5","UK3140","Minyaev, Mikhail E.; Nifant'ev, Ilya E.; Tavtorkin, Alexander N.; Korchagina, Sof'ya A.; Zeynalova, Shadana Sh; Ananyev, Ivan V.; Churakov, Andrei V.","Isomorphous rare-earth bis[bis(2,6-diisopropylphenyl)phosphate] complexes and their self-assembly into two-dimensional frameworks by intramolecular hydrogen bonds.","Acta crystallographica. Section C, Structural chemistry","2017","73","Pt 10","820","827","10.1107/S2053229617012979","","","0.71073","MoKα","","0.0602","0.039","","","0.0883","0.0954","","","","","","1.017","","","","has coordinates","246166","2020-10-21","18:00:00",""
"2311918","16.7581","0.0011","12.5821","0.0009","30.732","0.002","90","","104.876","0.001","90","","6262.7","0.7","100","2","100","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","Bis[bis(2,6-diisopropylphenyl)phosphato-κ<i>O</i>]tetrakis(methanol-κ<i>O</i>)(nitrato-κ<i>O</i>)neodymium methanol disolvate","","- C54 H92 N Nd O17 P2 -","- C54 H92 N Nd O17 P2 -","- C216 H368 N4 Nd4 O68 P8 -","4","0.5","UK3140","Minyaev, Mikhail E.; Nifant'ev, Ilya E.; Tavtorkin, Alexander N.; Korchagina, Sof'ya A.; Zeynalova, Shadana Sh; Ananyev, Ivan V.; Churakov, Andrei V.","Isomorphous rare-earth bis[bis(2,6-diisopropylphenyl)phosphate] complexes and their self-assembly into two-dimensional frameworks by intramolecular hydrogen bonds.","Acta crystallographica. Section C, Structural chemistry","2017","73","Pt 10","820","827","10.1107/S2053229617012979","","","0.71073","MoKα","","0.0611","0.0438","","","0.0953","0.1014","","","","","","1.075","","","","has coordinates,has disorder","246166","2020-10-21","18:00:00",""
"2311919","7.811","0.004","17.951","0.009","11.405","0.006","90","","92.36","0.02","90","","1597.8","1.4","100","2","100","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","5-[Benzyl(methyl)amino]-3-methyl-1-phenyl-1<i>H</i>-pyrazole-4-carbaldehyde","","- C19 H19 N3 O -","- C19 H19 N3 O -","- C76 H76 N12 O4 -","4","1","SK3669","Cuartas, Viviana; Insuasty, Braulio; Cobo, Justo; Glidewell, Christopher","Reduced 3,4'-bipyrazoles from a simple pyrazole precursor: synthetic sequence, molecular structures and supramolecular assembly.","Acta crystallographica. Section C, Structural chemistry","2017","73","Pt 10","784","790","10.1107/S205322961701302X","","","0.71073","MoKα","","0.0462","0.0396","","","0.0975","0.1015","","","","","","1.086","","","","has coordinates","246167","2020-10-21","18:00:00",""
"2311920","31.172","0.016","10.039","0.006","17.861","0.01","90","","123.334","0.014","90","","4670","5","100","2","100","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","(<i>E</i>)-3-{5-[Benzyl(methyl)amino]-3-methyl-1-phenyl-1<i>H</i>-pyrazol-4-yl}-1-(4-bromophenyl)prop-2-en-1-one","","- C27 H24 Br N3 O -","- C27 H24 Br N3 O -","- C216 H192 Br8 N24 O8 -","8","1","SK3669","Cuartas, Viviana; Insuasty, Braulio; Cobo, Justo; Glidewell, Christopher","Reduced 3,4'-bipyrazoles from a simple pyrazole precursor: synthetic sequence, molecular structures and supramolecular assembly.","Acta crystallographica. Section C, Structural chemistry","2017","73","Pt 10","784","790","10.1107/S205322961701302X","","","0.71073","MoKα","","0.0754","0.0455","","","0.0957","0.1113","","","","","","1.013","","","","has coordinates","246167","2020-10-21","18:00:00",""
"2311921","11.321","0.005","21.572","0.013","9.55","0.005","90","","97.711","0.018","90","","2311","2","100","2","100","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","(3<i>RS</i>)-5'-[Benzyl(methyl)amino]-3'-methyl-1',5-diphenyl-3,4-dihydro-1'<i>H</i>,2<i>H</i>-[3,4'-bipyrazole]-2-carbaldehyde","","- C28 H27 N5 O -","- C28 H27 N5 O -","- C112 H108 N20 O4 -","4","1","SK3669","Cuartas, Viviana; Insuasty, Braulio; Cobo, Justo; Glidewell, Christopher","Reduced 3,4'-bipyrazoles from a simple pyrazole precursor: synthetic sequence, molecular structures and supramolecular assembly.","Acta crystallographica. Section C, Structural chemistry","2017","73","Pt 10","784","790","10.1107/S205322961701302X","","","0.71073","MoKα","","0.0482","0.0398","","","0.0941","0.0991","","","","","","1.063","","","","has coordinates","246167","2020-10-21","18:00:00",""
"2311922","9.363","0.006","28.238","0.018","10.775","0.007","90","","97.04","0.02","90","","2827","3","100","2","100","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","(3<i>RS</i>)-2-acetyl-5'-[Benzyl(methyl)amino]- 5-(4-methoxyphenyl)-3'-methyl-1'-phenyl-3,4-dihydro-1'<i>H</i>,2<i>H</i>-[3,4'-bipyrazole] ethanol 0.945-solvate","","- C31.89 H36.67 N5 O2.95 -","- C31.89 H36.67 N5 O2.945 -","- C127.56 H146.68 N20 O11.78 -","4","1","SK3669","Cuartas, Viviana; Insuasty, Braulio; Cobo, Justo; Glidewell, Christopher","Reduced 3,4'-bipyrazoles from a simple pyrazole precursor: synthetic sequence, molecular structures and supramolecular assembly.","Acta crystallographica. Section C, Structural chemistry","2017","73","Pt 10","784","790","10.1107/S205322961701302X","","","0.71073","MoKα","","0.0542","0.0423","","","0.098","0.1041","","","","","","1.078","","","","has coordinates","246167","2020-10-21","18:00:00",""
"2311923","8.6692","0.0017","21.933","0.004","11.12","0.002","90","","110.77","0.03","90","","1977","0.7","293","2","293","2","","","","","","","","5","C 1 c 1","C -2yc","9","","Poly[aqua(μ-benzene-1,2-dicarboxylato-κ^4^<i>O</i>^1^,<i>O</i>^1'^:<i>O</i>^2^,<i>O</i>^2'^)[μ-2-(1<i>H</i>-imidazol-1-ylmethyl)-6-methyl-1<i>H</i>-benzimidazole-κ^2^<i>N</i>^2^:<i>N</i>^3^]cadmium(II)]","","- C20 H18 Cd N4 O5 -","- C20 H18 Cd N4 O5 -","- C80 H72 Cd4 N16 O20 -","4","1","","Yang, Huai Xia; Yang, Yan Qiu; Cheng, Di; Li, Ya Xue; Meng, Xiang Ru","A new two-dimensional Cd<sup>II</sup> coordination polymer based on 2-(1H-imidazol-1-ylmethyl)-6-methyl-1H-benzimidazole and benzene-1,2-dicarboxylate: synthesis, crystal structure and characterization.","Acta crystallographica. Section C, Structural chemistry","2017","73","Pt 10","828","832","10.1107/S2053229617013080","","","0.71073","MoKα","","0.0299","0.028","","","0.0557","0.0568","","","","","","1.097","","","","has coordinates","246168","2020-10-21","18:00:00",""
"2311924","4.8622","0.0003","6.9718","0.0004","10.1539","0.0005","90","","98.727","0.003","90","","340.21","0.03","123","","123","","","","","","","","","4","P 1 c 1","P -2yc","7","","Hydroxytropylium chloride","","- C7 H7 Cl O -","- C7 H7 Cl O -","- C14 H14 Cl2 O2 -","2","1","FP3042","Jandl, Christian; Pöthig, Alexander","Hydroxytropylium chloride: the first crystal structure of an unfunctionalized hydroxytropylium ion.","Acta crystallographica. Section C, Structural chemistry","2017","73","Pt 10","810","813","10.1107/S2053229617013183","","","0.71073","MoKα","","0.0213","0.0212","","","0.0585","0.0587","","","","","","1.036","","","","has coordinates","246169","2020-10-21","18:00:00",""
"2311925","9.7575","0.0003","11.0792","0.0003","15.5286","0.0004","88.733","0.001","83.753","0.001","66.337","0.001","1528.02","0.07","296","2","296","2","","","","","","","","6","P -1","-P 1","2","","<i>N</i>-(2,3-Dichlorophenyl)-2,5-dimethoxybenzenesulfonamide","","- C14 H13 Cl2 N O4 S -","- C14 H13 Cl2 N O4 S -","- C56 H52 Cl8 N4 O16 S4 -","4","2","","Shakuntala, K.; Naveen, S.; Lokanath, N. K.; Suchetan, P. A.; Abdoh, M.","Different supramolecular architectures mediated by different weak interactions in the crystals of three N-aryl-2,5-dimethoxybenzenesulfonamides.","Acta crystallographica. Section C, Structural chemistry","2017","73","Pt 10","833","844","10.1107/S2053229617013195","","","1.54178","CuKα","","0.0333","0.0328","","","0.0903","0.0909","","","","","","1.03","","","","has coordinates","246170","2020-10-21","18:00:00",""
"2311926","7.4855","0.0005","8.1175","0.0006","13.9643","0.001","98.151","0.002","95.566","0.002","114.952","0.002","749.84","0.09","296","2","296","2","","","","","","","","6","P -1","-P 1","2","","<i>N</i>-(2,4-Dichlorophenyl)-2,5-dimethoxybenzenesulfonamide","","- C14 H13 Cl2 N O4 S -","- C14 H13 Cl2 N O4 S -","- C28 H26 Cl4 N2 O8 S2 -","2","1","","Shakuntala, K.; Naveen, S.; Lokanath, N. K.; Suchetan, P. A.; Abdoh, M.","Different supramolecular architectures mediated by different weak interactions in the crystals of three N-aryl-2,5-dimethoxybenzenesulfonamides.","Acta crystallographica. Section C, Structural chemistry","2017","73","Pt 10","833","844","10.1107/S2053229617013195","","","1.54178","CuKα","","0.0348","0.034","","","0.0989","0.1001","","","","","","1.018","","","","has coordinates","246170","2020-10-21","18:00:00",""
"2311927","8.2859","0.0014","8.7197","0.0015","12.232","0.002","70.522","0.005","80.171","0.005","78.856","0.005","812.1","0.2","296","2","296","2","","","","","","","","5","P -1","-P 1","2","","<i>N</i>-(2,4-Dimethylphenyl)-2,5-dimethoxybenzenesulfonamide","","- C16 H19 N O4 S -","- C16 H19 N O4 S -","- C32 H38 N2 O8 S2 -","2","1","","Shakuntala, K.; Naveen, S.; Lokanath, N. K.; Suchetan, P. A.; Abdoh, M.","Different supramolecular architectures mediated by different weak interactions in the crystals of three N-aryl-2,5-dimethoxybenzenesulfonamides.","Acta crystallographica. Section C, Structural chemistry","2017","73","Pt 10","833","844","10.1107/S2053229617013195","","","1.54178","CuKα","","0.0438","0.043","","","0.1346","0.1366","","","","","","0.986","","","","has coordinates","246170","2020-10-21","18:00:00",""
"2311928","8.6181","0.0006","12.8068","0.0009","16.7622","0.0012","85.5267","0.0009","79.0539","0.001","80.1701","0.001","1787.7","0.2","100","2","100","2","","","","","","","","5","P -1","-P 1","2","a","3,5-Dichloropyridinium tetrachloridozincate(II)","","- C10 H8 Cl8 N2 Zn -","- C10 H8 Cl8 N2 Zn -","- C40 H32 Cl32 N8 Zn4 -","4","2","YP3141","Wang, Ai; Englert, Ulli","N-H...X (X = Cl and Br) hydrogen bonds in three isomorphous 3,5-dichloropyridinium salts.","Acta crystallographica. Section C, Structural chemistry","2017","73","Pt 10","803","809","10.1107/S2053229617013201","","","0.71073","MoKα","","0.0341","0.0286","","","0.0719","0.0745","","","","","","1.011","","","","has coordinates","246171","2020-10-21","18:00:00",""
"2311929","8.8739","0.0015","13.469","0.002","17.284","0.003","79.539","0.003","78.468","0.002","76.968","0.002","1951.7","0.6","100","2","100","2","","","","","","","","6","P -1","-P 1","2","b","3,5-Dichloropyridinium tetrabromidozincate(II)","","- C10 H8 Br4 Cl4 N2 Zn -","- C10 H8 Br4 Cl4 N2 Zn -","- C40 H32 Br16 Cl16 N8 Zn4 -","4","2","YP3141","Wang, Ai; Englert, Ulli","N-H...X (X = Cl and Br) hydrogen bonds in three isomorphous 3,5-dichloropyridinium salts.","Acta crystallographica. Section C, Structural chemistry","2017","73","Pt 10","803","809","10.1107/S2053229617013201","","","0.71073","MoKα","","0.0683","0.0464","","","0.1065","0.1161","","","","","","1.015","","","","has coordinates","246171","2020-10-21","18:00:00",""
"2311930","8.8698","0.0009","13.4808","0.0013","17.2853","0.0017","79.5702","0.0015","78.4951","0.0014","76.8616","0.0014","1952.3","0.3","100","2","100","2","","","","","","","","6","P -1","-P 1","2","c","3,5-Dichloropyridinium tetrabromidocobaltate(II)","","- C10 H8 Br4 Cl4 Co N2 -","- C10 H8 Br4 Cl4 Co N2 -","- C40 H32 Br16 Cl16 Co4 N8 -","4","2","YP3141","Wang, Ai; Englert, Ulli","N-H...X (X = Cl and Br) hydrogen bonds in three isomorphous 3,5-dichloropyridinium salts.","Acta crystallographica. Section C, Structural chemistry","2017","73","Pt 10","803","809","10.1107/S2053229617013201","","","0.71073","MoKα","","0.0573","0.0384","","","0.0816","0.088","","","","","","1.01","","","","has coordinates","246171","2020-10-21","18:00:00",""
"2311931","10.419","0.002","13.496","0.002","6.669","0.002","90","","90","","90","","937.8","0.4","298","2","298","2","","","","","","","","6","I m m a","-I 2b 2","74","","Sodium calcium trinickel aluminium triarsenate","","- Al0.46 As3 Ca0.77 Na Ni2.54 O12 -","- Al0.457 As3 Ca0.774 Na Ni2.543 O12 -","- Al1.828 As12 Ca3.096 Na4 Ni10.172 O48 -","4","0.25","SK3667","Ben Smail, Ridha; Zid, Mohamed Faouzi","An arsenate with the α-CrPO<sub>4</sub> structure type, NaCa<sub>1-x</sub>Ni<sub>3-2x</sub>Al<sub>2x</sub>(AsO<sub>4</sub>)<sub>3</sub> (x = 0.23): crystal structure, charge-distribution and bond-valence-sum analyses.","Acta crystallographica. Section C, Structural chemistry","2017","73","Pt 11","896","904","10.1107/S2053229617013213","","","0.71073","MoKα","","0.0227","0.0196","","","0.0565","0.0579","","","","","","1.13","","","","has coordinates","246172","2020-10-21","18:00:00",""
"2311932","26.022","0.009","7.41","0.003","6.531","0.002","90","","94.377","0.011","90","","1255.7","0.8","200","2","200","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","BBO6-Me","4,4'-Bis[5-(methoxycarbonyl)pentyloxy]biphenyl","","- C26 H34 O6 -","- C26 H34 O6 -","- C52 H68 O12 -","2","0.5","OV3098","Geiger, David K.; Geiger, H. Cristina; Moore, Shawn M.; Roberts, William R.","Structural characterization, gelation ability, and energy-framework analysis of two bis(long-chain ester)-substituted 4,4'-biphenyl compounds.","Acta crystallographica. Section C, Structural chemistry","2017","73","Pt 10","791","796","10.1107/S2053229617013237","","","0.71073","MoKa","","0.1227","0.0806","","","0.2295","0.2644","","","","","","1.043","","","","has coordinates,has disorder","246173","2020-10-21","18:00:00",""
"2311933","26.594","0.007","7.5344","0.0017","6.5302","0.0014","90","","95.872","0.008","90","","1301.6","0.5","200","2","200","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","BBO6-Et","4,4'-Bis[5-(ethoxycarbonyl)pentyloxy]biphenyl","","- C28 H38 O6 -","- C28 H38 O6 -","- C56 H76 O12 -","2","0.5","OV3098","Geiger, David K.; Geiger, H. Cristina; Moore, Shawn M.; Roberts, William R.","Structural characterization, gelation ability, and energy-framework analysis of two bis(long-chain ester)-substituted 4,4'-biphenyl compounds.","Acta crystallographica. Section C, Structural chemistry","2017","73","Pt 10","791","796","10.1107/S2053229617013237","","","0.71073","MoKa","","0.1204","0.0725","","","0.1958","0.2322","","","","","","1.055","","","","has coordinates,has disorder","246173","2020-10-21","18:00:00",""
"2311934","11.8775","0.0009","13.3374","0.0009","13.9741","0.0009","66.056","0.003","73.926","0.003","65.297","0.003","1822.6","0.2","100","","100","","","","","","","","","7","P -1","-P 1","2","","Di-μ-chlorido-bis{μ-calix[2]imidazolium[2]imidazolylidene[2]pyrazolate}trinickel(II) tetrakis(hexafluoridophosphate) acetonitrile tetrasolvate","","- C56 H60 Cl2 F24 N28 Ni3 P4 -","- C56 H60 Cl2 F24 N28 Ni3 P4 -","- C56 H60 Cl2 F24 N28 Ni3 P4 -","1","0.5","FP3043","Altmann, Philipp J.; Ehrenreich, Michael; Pöthig, Alexander","A hybrid imidazolylidene/imidazolium nickel NHC complex: an isolated intermediate.","Acta crystallographica. Section C, Structural chemistry","2017","73","Pt 11","880","884","10.1107/S2053229617013250","","","0.71073","MoKα","","0.066","0.0407","","","0.0853","0.0943","","","","","","1.024","","","","has coordinates","246174","2020-10-21","18:00:00",""
"2311935","13.4659","0.0006","11.0854","0.0006","10.7955","0.0006","90","","106.271","0.005","90","","1546.95","0.14","150.01","0.1","150.01","0.1","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","1,4-Dibromoperfluorobutane‒1,4-diazabicyclo[2.2.2]octane (1/1)","","- C10 H12 Br2 F8 N2 -","- C10 H12 Br2 F8 N2 -","- C40 H48 Br8 F32 N8 -","4","1","UK3139","Brisdon, Alan K.; Muneer, Abeer M. T.; Pritchard, Robin G.","Halogen bonding in a series of Br(CF<sub>2</sub>)<sub>n</sub>Br-DABCO adducts (n = 4, 6, 8).","Acta crystallographica. Section C, Structural chemistry","2017","73","Pt 11","874","879","10.1107/S2053229617013663","","","0.71073","MoKα","","0.0652","0.0408","","","0.0554","0.0644","","","","","","0.934","","","","has coordinates","246175","2020-10-21","18:00:00",""
"2311936","6.0096","0.0004","10.4941","0.0008","14.5016","0.0011","92.051","0.006","101.375","0.006","90.507","0.006","895.89","0.11","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","1,6-Dibromoperfluorohexane‒1,4-diazabicyclo[2.2.2]octane (1/1)","","- C12 H12 Br2 F12 N2 -","- C12 H12 Br2 F12 N2 -","- C24 H24 Br4 F24 N4 -","2","1","UK3139","Brisdon, Alan K.; Muneer, Abeer M. T.; Pritchard, Robin G.","Halogen bonding in a series of Br(CF<sub>2</sub>)<sub>n</sub>Br-DABCO adducts (n = 4, 6, 8).","Acta crystallographica. Section C, Structural chemistry","2017","73","Pt 11","874","879","10.1107/S2053229617013663","","","0.71073","MoKα","","0.0694","0.0493","","","0.0961","0.1042","","","","","","1.128","","","","has coordinates","246175","2020-10-21","18:00:00",""
"2311937","6.03367","0.00019","10.4836","0.0005","16.4471","0.0009","88.785","0.004","84.126","0.003","89.724","0.003","1034.66","0.08","150.01","0.1","150.01","0.1","","","","","","","","5","P -1","-P 1","2","","1,8-Dibromoperfluorooctane‒1,4-diazabicyclo[2.2.2]octane (1/1)","","- C14 H12 Br2 F16 N2 -","- C14 H12 Br2 F16 N2 -","- C28 H24 Br4 F32 N4 -","2","1","UK3139","Brisdon, Alan K.; Muneer, Abeer M. T.; Pritchard, Robin G.","Halogen bonding in a series of Br(CF<sub>2</sub>)<sub>n</sub>Br-DABCO adducts (n = 4, 6, 8).","Acta crystallographica. Section C, Structural chemistry","2017","73","Pt 11","874","879","10.1107/S2053229617013663","","","0.71073","MoKα","","0.0679","0.0497","","","0.1133","0.1222","","","","","","1.069","","","","has coordinates","246175","2020-10-21","18:00:00",""
"2311938","12.946","0.003","12.568","0.003","11.044","0.002","90","","115.18","0.03","90","","1626.2","0.7","100","2","100","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","<i>catena</i>-Poly[[[tetrakis(μ-4-azaniumylbutanoato-\ κ^2^<i>O</i>:<i>O</i>')dicopper(II)(<i>Cu</i>—<i>Cu</i>)]-\ μ-chlorido-[diaquadichloridocopper(II)]-μ-chlorido] bis(perchlorate)]","","- C16 H40 Cl6 Cu3 N4 O18 -","- C16 H40 Cl6 Cu3 N4 O18 -","- C32 H80 Cl12 Cu6 N8 O36 -","2","0.5","YF3125","Bouheroum, Sofiane; Cherouana, Aouatef; Beghidja, Adel; Dahaoui, Slimane; Rabu, Pierre","A new copper(II) coordination polymer containing chains of interconnected paddle-wheel antiferromagnetic clusters.","Acta crystallographica. Section C, Structural chemistry","2017","73","Pt 12","1050","1055","10.1107/S2053229617013766","","","0.71073","MoKα","","0.0588","0.0436","","","0.1046","0.1094","","","","","","0.994","","","","has coordinates","246176","2020-10-21","18:00:00",""
"2311939","9.218","0.0009","17.4137","0.0018","12.1884","0.0012","90","","100.992","0.004","90","","1920.6","0.3","200","2","200","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C16 H14 Cl2 F6 N2 O2 Pd -","- C16 H14 Cl2 F6 N2 O2 Pd -","- C64 H56 Cl8 F24 N8 O8 Pd4 -","4","1","","Lu, Norman; Zheng, Jing Hung; Lu, Yi Jing; Chiang, Hsing Fang; Chu, Chun Wei; Thrasher, Joseph S.; Wen, Yuh Sheng; Liu, Ling Kang","Side-chain conformations in the isomorphous polyfluorinated {4,4'-bis[(2,2-difluoroethoxy)methyl]-2,2'-bipyridine-κ<sup>2</sup>N,N'}dichloridopalladium and -platinum complexes.","Acta crystallographica. Section C, Structural chemistry","2017","73","Pt 11","930","936","10.1107/S2053229617013857","","","0.71073","MoKα","","0.0537","0.0483","","","0.1332","0.1359","","","","","","1.85","","","","has coordinates,has disorder","246177","2020-10-21","18:00:00",""
"2311940","9.274","0.003","17.393","0.006","12.319","0.004","90","","100.352","0.014","90","","1954.7","1.1","200","2","200","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C16 H14 Cl2 F6 N2 O2 Pt -","- C16 H14 Cl2 F6 N2 O2 Pt -","- C64 H56 Cl8 F24 N8 O8 Pt4 -","4","1","","Lu, Norman; Zheng, Jing Hung; Lu, Yi Jing; Chiang, Hsing Fang; Chu, Chun Wei; Thrasher, Joseph S.; Wen, Yuh Sheng; Liu, Ling Kang","Side-chain conformations in the isomorphous polyfluorinated {4,4'-bis[(2,2-difluoroethoxy)methyl]-2,2'-bipyridine-κ<sup>2</sup>N,N'}dichloridopalladium and -platinum complexes.","Acta crystallographica. Section C, Structural chemistry","2017","73","Pt 11","930","936","10.1107/S2053229617013857","","","0.71073","MoKα","","0.097","0.0645","","","0.159","0.1861","","","","","","1.091","","","","has coordinates,has disorder","246178","2020-10-21","18:00:00",""
"2311941","7.7401","0.0002","16.5086","0.0004","28.3013","0.0007","90","","90","","90","","3616.29","0.16","295","0.1","295","0.1","","","","","","","","7","P b c a","-P 2ac 2ab","61","","{4,4'-Bis[(2,2-difluoroethoxy)methyl]-2,2'-bipyridine-κ^2^<i>N</i>,<i>N</i>'}dichloridopalladium and -platinum","","- C16 H16 Cl2 F4 N2 O2 Pd -","- C16 H16 Cl2 F4 N2 O2 Pd -","- C128 H128 Cl16 F32 N16 O16 Pd8 -","8","1","KU3207","Lu, Norman; Zheng, Jing Hung; Lu, Yi Jing; Chiang, Hsing Fang; Chu, Chun Wei; Thrasher, Joseph S.; Wen, Yuh Sheng; Liu, Ling Kang","Side-chain conformations in the isomorphous polyfluorinated {4,4'-bis[(2,2-difluoroethoxy)methyl]-2,2'-bipyridine-κ<sup>2</sup>N,N'}dichloridopalladium and -platinum complexes.","Acta crystallographica. Section C, Structural chemistry","2017","73","Pt 11","930","936","10.1107/S2053229617013857","","","0.71073","MoKα","","0.0298","0.022","","","0.0471","0.0507","","","","","","1.079","","","","has coordinates","246179","2020-10-21","18:00:00",""
"2311942","7.7215","0.0002","16.5892","0.0004","28.1692","0.0007","90","","90","","90","","3608.29","0.16","100","0.2","100","0.2","","","","","","","","7","P b c a","-P 2ac 2ab","61","","","","- C16 H16 Cl2 F4 N2 O2 Pt -","- C16 H16 Cl2 F4 N2 O2 Pt -","- C128 H128 Cl16 F32 N16 O16 Pt8 -","8","1","KU3207","Lu, Norman; Zheng, Jing Hung; Lu, Yi Jing; Chiang, Hsing Fang; Chu, Chun Wei; Thrasher, Joseph S.; Wen, Yuh Sheng; Liu, Ling Kang","Side-chain conformations in the isomorphous polyfluorinated {4,4'-bis[(2,2-difluoroethoxy)methyl]-2,2'-bipyridine-κ<sup>2</sup>N,N'}dichloridopalladium and -platinum complexes.","Acta crystallographica. Section C, Structural chemistry","2017","73","Pt 11","930","936","10.1107/S2053229617013857","","","0.71073","MoKα","","0.0245","0.0204","","","0.0416","0.0431","","","","","","1.115","","","","has coordinates","246179","2020-10-21","18:00:00",""
"2311943","24.39","0.003","11.871","0.0015","16.048","0.002","90","","96.325","0.004","90","","4618.2","1","296","2","296","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","Poly[[(3-amino-4-carboxybenzenesulfonato-κ<i>O</i>)aquabis[μ~2~-1,4-bis(triazol-1-ylmethyl)benzene-κ^2^<i>N</i>^4^:<i>N</i>^4'^]copper(II)] 3-amino-4-carboxybenzenesulfonate 3.5-hydrate]","","- C38 H46 Cu N14 O15 S2 -","- C38 H46 Cu N14 O15 S2 -","- C152 H184 Cu4 N56 O60 S8 -","4","1","KY3127","Chu, Xin; Zhang, Kou Lin","Preparation and characterization of two new Cu<sup>II</sup> supramolecular coordination polymers incorporating sulfobenzoate and flexible heterocyclic ligands.","Acta crystallographica. Section C, Structural chemistry","2017","73","Pt 12","1087","1097","10.1107/S2053229617014899","","","0.71073","MoKα","","0.0982","0.0612","","","0.1569","0.1792","","","","","","1.037","","","","has coordinates","246180","2020-10-21","18:00:00",""
"2311944","13.4947","0.0016","10.1948","0.0011","18.8909","0.0016","90","","134.327","0.005","90","","1859.2","0.4","293","2","293","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","Poly[[bis(μ~2~-2-amino-4-sulfonatobenzoato-κ^3^<i>O</i>^4^:<i>N</i>,<i>O</i>^4'^)tetraaqua[μ~2~-1,4-bis(triazol-1-ylmethyl)benzene-κ^2^<i>N</i>^1^:<i>N</i>^1'^]dicopper(II)] tetrahydrate]","","- C28 H40 Cu2 N6 O18 S2 -","- C28 H40 Cu2 N6 O18 S2 -","- C56 H80 Cu4 N12 O36 S4 -","2","0.5","KY3127","Chu, Xin; Zhang, Kou Lin","Preparation and characterization of two new Cu<sup>II</sup> supramolecular coordination polymers incorporating sulfobenzoate and flexible heterocyclic ligands.","Acta crystallographica. Section C, Structural chemistry","2017","73","Pt 12","1087","1097","10.1107/S2053229617014899","","","0.71073","MoKα","","0.0733","0.0424","","","0.0848","0.0939","","","","","","1.019","","","","has coordinates,has disorder","246180","2020-10-21","18:00:00",""
"2311945","4.1043","0.0002","11.0458","0.0004","12.0465","0.0004","90","","93.74","0.003","90","","544.97","0.04","298","2","298","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","2-thiouracil","2-Thiouracil","","- C4 H4 N2 O S -","- C4 H4 N2 O S -","- C16 H16 N8 O4 S4 -","4","1","KU3205","Fabijanić, Ivana; Matković-Čalogović, Dubravka; Pilepić, Viktor; Sanković, Krešimir","Structural and computational analysis of intermolecular interactions in a new 2-thiouracil polymorph.","Acta crystallographica. Section C, Structural chemistry","2017","73","Pt 12","1078","1086","10.1107/S205322961701542X","","","0.71073","MoKα","","0.0364","0.0297","","","0.0755","0.0807","","","","","","1.049","","","","has coordinates","246181","2020-10-21","18:00:00",""
"2311946","12.4912","0.0005","12.4912","0.0005","7.4526","0.0003","90","","90","","120","","1007.04","0.07","296","","296","","","","","","","","","4","P 63 m c","P 6c -2c","186","","Heptapotassium silver tetrakis(tetraoxotungstate)","","- Ag K7 O16 W4 -","- Ag K7 O16 W4 -","- Ag2 K14 O32 W8 -","2","0.166667","LY3055","Spiridonova, Tatyana S.; Solodovnikov, Sergey F.; Savina, Aleksandra A.; Solodovnikova, Zoya A.; Stefanovich, Sergey Yu; Lazoryak, Bogdan I.; Korolkov, Iliya V.; Khaikina, Elena G.","Synthesis, crystal structures and properties of the new compounds K<sub>7-x</sub>Ag<sub>1+x</sub>(XO<sub>4</sub>)<sub>4</sub> (X = Mo, W).","Acta crystallographica. Section C, Structural chemistry","2017","73","Pt 12","1071","1077","10.1107/S2053229617015674","powder diffraction","","1.5418","CuKα","","","","","","","","","","3.64","","","","","","","has coordinates","246182","2020-10-21","18:00:00",""
"2311947","12.4188","0.0002","12.4188","0.0002","7.4338","0.0002","90","","90","","120","","992.89","0.03","296","2","296","2","","","","","","","","4","P 63 m c","P 6c -2c","186","","Heptapotassium silver tetrakis(tetraoxomolybdate)","","- Ag1.32 K6.68 Mo4 O16 -","- Ag1.318 K6.682 Mo4 O16 -","- Ag2.636 K13.364 Mo8 O32 -","2","0.166667","LY3055","Spiridonova, Tatyana S.; Solodovnikov, Sergey F.; Savina, Aleksandra A.; Solodovnikova, Zoya A.; Stefanovich, Sergey Yu; Lazoryak, Bogdan I.; Korolkov, Iliya V.; Khaikina, Elena G.","Synthesis, crystal structures and properties of the new compounds K<sub>7-x</sub>Ag<sub>1+x</sub>(XO<sub>4</sub>)<sub>4</sub> (X = Mo, W).","Acta crystallographica. Section C, Structural chemistry","2017","73","Pt 12","1071","1077","10.1107/S2053229617015674","","","0.71073","MoKα","","0.0181","0.0179","","","0.0402","0.0403","","","","","","1.12","","","","has coordinates","246182","2020-10-21","18:00:00",""
"2311948","6.9085","0.0002","8.4524","0.0002","17.9702","0.0005","101.801","0.0016","92.711","0.0016","109.829","0.0014","958.47","0.05","295","","295","","","","","","","","","4","P -1","-P 1","2","","3-Hydroxy-4,5-bis(hydroxymethyl)-2-methylpyridin-1-ium 4-hydroxy-3,5-dimethoxybenzoate monohydrate","","- C17 H21 N O8 -","- C17 H21 N O8 -","- C34 H42 N2 O16 -","2","1","KU3209","Cvetkovski, Aleksandar; Ferretti, Valeria; Bertolasi, Valerio","New pharmaceutical salts containing pyridoxine.","Acta crystallographica. Section C, Structural chemistry","2017","73","Pt 12","1064","1070","10.1107/S2053229617015765","","","0.71073","MoKα","","0.0729","0.0526","","","0.1536","0.1674","","","","","","1.055","","","","has coordinates","246183","2020-10-21","18:00:00",""
"2311949","7.244","0.0003","17.1615","0.0005","7.2706","0.0002","90","","98.806","0.002","90","","893.21","0.05","295","","295","","","","","","","","","4","P 1 21 1","P 2yb","4","","3-Hydroxy-4,5-bis(hydroxymethyl)-2-methylpyridin-1-ium (<i>E</i>)-3-(4-hydroxy-3-methoxyphenyl)prop-2-enoate monohydrate","","- C18 H23 N O8 -","- C18 H23 N O8 -","- C36 H46 N2 O16 -","2","1","KU3209","Cvetkovski, Aleksandar; Ferretti, Valeria; Bertolasi, Valerio","New pharmaceutical salts containing pyridoxine.","Acta crystallographica. Section C, Structural chemistry","2017","73","Pt 12","1064","1070","10.1107/S2053229617015765","","","0.71073","MoKα","","0.0508","0.04","","","0.1031","0.1081","","","","","","1.065","","","","has coordinates","246183","2020-10-21","18:00:00",""
"2311950","9.188","0.005","9.308","0.005","10.887","0.005","113.56","0.02","90.782","0.018","116.173","0.016","745.3","0.7","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","(<i>E</i>)-3-(2-Bromophenyl)-2-(1-methyl-1<i>H</i>-indole-3-carbonyl)acrylonitrile","","- C19 H13 Br N2 O -","- C19 H13 Br N2 O -","- C38 H26 Br2 N4 O2 -","2","1","YF3130","García, Andrés C; Abonía, Rodrigo; Jaramillo-Gómez, Luz M; Cobo, Justo; Glidewell, Christopher","Design, synthesis and crystallographic study of novel indole-based cyano derivatives as key building blocks for heteropolycyclic compounds of major complexity.","Acta crystallographica. Section C, Structural chemistry","2017","73","Pt 12","1040","1049","10.1107/S2053229617015789","","","0.71073","MoKα","","0.022","0.0199","","","0.0477","0.0486","","","","","","1.066","","","","has coordinates","246184","2020-10-21","18:00:00",""
"2311951","13.728","0.006","14.901","0.006","15.507","0.006","90","","92.165","0.019","90","","3170","2","100","2","100","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","(2<i>RS</i>)-2-(2-Bromobenzyl)-3-(1-methyl-1<i>H</i>-indol-3-yl)-\ 3-oxopropanenitrile","","- C19 H15 Br N2 O -","- C19 H15 Br N2 O -","- C152 H120 Br8 N16 O8 -","8","2","YF3130","García, Andrés C; Abonía, Rodrigo; Jaramillo-Gómez, Luz M; Cobo, Justo; Glidewell, Christopher","Design, synthesis and crystallographic study of novel indole-based cyano derivatives as key building blocks for heteropolycyclic compounds of major complexity.","Acta crystallographica. Section C, Structural chemistry","2017","73","Pt 12","1040","1049","10.1107/S2053229617015789","","","0.71073","MoKα","","0.0612","0.0341","","","0.0633","0.0721","","","","","","1.052","","","","has coordinates","246184","2020-10-21","18:00:00",""
"2311952","10.912","0.004","12.544","0.008","15.583","0.007","89.23","0.04","79.49","0.03","73.2","0.03","2006","1.8","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","(2<i>RS</i>)-3-(1-benzyl-1<i>H</i>-indol-3-yl)-\ 2-(2-bromobenzyl)-3-oxopropanenitrile","","- C25 H19 Br N2 O -","- C25 H19 Br N2 O -","- C100 H76 Br4 N8 O4 -","4","2","YF3130","García, Andrés C; Abonía, Rodrigo; Jaramillo-Gómez, Luz M; Cobo, Justo; Glidewell, Christopher","Design, synthesis and crystallographic study of novel indole-based cyano derivatives as key building blocks for heteropolycyclic compounds of major complexity.","Acta crystallographica. Section C, Structural chemistry","2017","73","Pt 12","1040","1049","10.1107/S2053229617015789","","","0.71073","MoKα","","0.0695","0.0415","","","0.0747","0.0838","","","","","","1.023","","","","has coordinates","246184","2020-10-21","18:00:00",""
"2311953","19.406","0.009","8.773","0.004","23.028","0.009","90","","103.318","0.015","90","","3815","3","173","2","173","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","(<i>E</i>)-1-(1-Acetyl-1<i>H</i>-indol-3-yl)-3-(2-bromophenyl)-2-cyanoprop-1-en-1-yl acetate","","- C22 H17 Br N2 O3 -","- C22 H17 Br N2 O3 -","- C176 H136 Br8 N16 O24 -","8","1","YF3130","García, Andrés C; Abonía, Rodrigo; Jaramillo-Gómez, Luz M; Cobo, Justo; Glidewell, Christopher","Design, synthesis and crystallographic study of novel indole-based cyano derivatives as key building blocks for heteropolycyclic compounds of major complexity.","Acta crystallographica. Section C, Structural chemistry","2017","73","Pt 12","1040","1049","10.1107/S2053229617015789","","","0.71073","MoKα","","0.0756","0.0558","","","0.1216","0.1355","","","","","","1.082","","","","has coordinates","246184","2020-10-21","18:00:00",""
"2311954","14.886","0.004","8.129","0.003","21.432","0.006","90","","104.638","0.012","90","","2509.3","1.4","100","2","100","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","(<i>E</i>)-1-(1-Benzyl-1<i>H</i>-indol-3-yl)-3-(2-bromophenyl)-2-cyanoprop-1-en-1-yl benzoate","","- C32 H23 Br N2 O2 -","- C32 H23 Br N2 O2 -","- C128 H92 Br4 N8 O8 -","4","1","YF3130","García, Andrés C; Abonía, Rodrigo; Jaramillo-Gómez, Luz M; Cobo, Justo; Glidewell, Christopher","Design, synthesis and crystallographic study of novel indole-based cyano derivatives as key building blocks for heteropolycyclic compounds of major complexity.","Acta crystallographica. Section C, Structural chemistry","2017","73","Pt 12","1040","1049","10.1107/S2053229617015789","","","0.71073","MoKα","","0.0494","0.0359","","","0.0798","0.0855","","","","","","1.046","","","","has coordinates","246184","2020-10-21","18:00:00",""
"2311955","10.986","0.004","8.977","0.004","13.209","0.005","90","","97.14","0.017","90","","1292.6","0.9","100","2","100","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","2-Benzoyl-3-(2-bromophenyl)acrylonitrile","","- C16 H10 Br N O -","- C16 H10 Br N O -","- C64 H40 Br4 N4 O4 -","4","1","YF3130","García, Andrés C; Abonía, Rodrigo; Jaramillo-Gómez, Luz M; Cobo, Justo; Glidewell, Christopher","Design, synthesis and crystallographic study of novel indole-based cyano derivatives as key building blocks for heteropolycyclic compounds of major complexity.","Acta crystallographica. Section C, Structural chemistry","2017","73","Pt 12","1040","1049","10.1107/S2053229617015789","","","0.71073","MoKα","","0.0254","0.0217","","","0.0511","0.0528","","","","","","1.108","","","","has coordinates","246184","2020-10-21","18:00:00",""
"2311956","13.5451","0.0018","13.889","0.0019","14.4514","0.0012","94.449","0.003","92.316","0.003","119.009","0.004","2361","0.5","293","2","293","2","","","","","","","","7","P -1","-P 1","2","","Poly[tetra-<i>n</i>-butylammonium [bis(μ~2~-dimethyldithiocarbamato)dodeca-μ~3~-iodido-hexa-μ~2~-iodido-tetracopper(I)copper(II)hexalead(II)]]","","- C38 H84 Cu5 I18 N4 Pb6 S4 -","- C38 H84 Cu5 I18 N4 Pb6 S4 -","- C38 H84 Cu5 I18 N4 Pb6 S4 -","1","0.5","OV3096","Fan, Le Qing; Zhu, Xiao Tong","Syntheses and crystal structures of two heterometallic iodoplumbates containing mixed-valence copper(I/II).","Acta crystallographica. Section C, Structural chemistry","2017","73","Pt 12","1098","1103","10.1107/S2053229617015807","","","0.71073","MoKα","","0.0847","0.0544","","","0.1138","0.1277","","","","","","1.071","","","","has coordinates","246185","2020-10-21","18:00:00",""
"2311957","17.5853","0.0009","18.1041","0.0008","13.0705","0.0006","90","","128.789","0.005","90","","3243.5","0.3","293","2","293","2","","","","","","","","6","C 1 2/m 1","-C 2y","12","","Poly[[μ~3~-iodido-tri-μ~2~-iodido-iodido[bis(1,10-phenanthroline)copper(I)]copper(I)copper(II)lead(II)] hemiiodine]","","- C24 H16 Cu2 I6 N4 Pb -","- C24 H16 Cu2.0002 I6 N4 Pb -","- C96 H64 Cu8.0008 I24 N16 Pb4 -","4","0.5","OV3096","Fan, Le Qing; Zhu, Xiao Tong","Syntheses and crystal structures of two heterometallic iodoplumbates containing mixed-valence copper(I/II).","Acta crystallographica. Section C, Structural chemistry","2017","73","Pt 12","1098","1103","10.1107/S2053229617015807","","","0.71073","MoKα","","0.063","0.0393","","","0.0759","0.0856","","","","","","1.006","","","","has coordinates","246185","2020-10-21","18:00:00",""
"2311958","7.1681","0.00008","9.28821","0.0001","13.42132","0.00015","88.3124","0.0005","85.6481","0.0005","69.7508","0.0005","835.927","0.016","100","2","100","2","","","","","","","","5","P -1","-P 1","2","Oxyclozanide benzene hemisolvate","2,3,5-Trichloro-<i>N</i>-(3,5-dichloro-2-hydroxyphenyl)-6-hydroxybenzamide benzene hemisolvate","","- C16 H9 Cl5 N O3 -","- C16 H9 Cl5 N O3 -","- C32 H18 Cl10 N2 O6 -","2","1","EG3229","Sridhar, Balasubramanian; Ravikumar, Krishnan","Role of halogen-halogen contacts in the crystal structures of three new solvates of the drug oxyclozanide.","Acta crystallographica. Section C, Structural chemistry","2017","73","Pt 12","1056","1063","10.1107/S2053229617015923","","","0.71073","MoKα","","0.0543","0.0473","","","0.121","0.1243","","","","","","1.148","","","","has coordinates","246186","2020-10-21","18:00:00",""
"2311959","7.12429","0.00008","9.40484","0.00011","14.27988","0.00016","83.7014","0.0005","80.0916","0.0005","67.8388","0.0004","871.84","0.017","100","2","100","2","","","","","","","","5","P -1","-P 1","2","Oxyclozanide xylene hemisolvate","2,3,5-Trichloro-<i>N</i>-(3,5-dichloro-2-hydroxyphenyl)-6-hydroxybenzamide xylene hemisolvate","","- C17 H11 Cl5 N O3 -","- C17 H11 Cl5 N O3 -","- C34 H22 Cl10 N2 O6 -","2","1","EG3229","Sridhar, Balasubramanian; Ravikumar, Krishnan","Role of halogen-halogen contacts in the crystal structures of three new solvates of the drug oxyclozanide.","Acta crystallographica. Section C, Structural chemistry","2017","73","Pt 12","1056","1063","10.1107/S2053229617015923","","","0.71073","MoKα","","0.0414","0.0362","","","0.0841","0.0865","","","","","","1.122","","","","has coordinates","246186","2020-10-21","18:00:00",""
"2311960","6.92017","0.00008","9.71946","0.00011","13.98498","0.00017","86.3845","0.0005","85.4687","0.0005","65.8069","0.0005","854.849","0.018","100","2","100","2","","","","","","","","5","P -1","-P 1","2","Oxyclozanide toluene hemisolvate","2,3,5-Trichloro-<i>N</i>-(3,5-dichloro-2-hydroxyphenyl)-6-hydroxybenzamide toluene hemisolvate","","- C16.5 H10 Cl5 N O3 -","- C16.5 H10 Cl5 N O3 -","- C33 H20 Cl10 N2 O6 -","2","1","EG3229","Sridhar, Balasubramanian; Ravikumar, Krishnan","Role of halogen-halogen contacts in the crystal structures of three new solvates of the drug oxyclozanide.","Acta crystallographica. Section C, Structural chemistry","2017","73","Pt 12","1056","1063","10.1107/S2053229617015923","","","0.71073","MoKα","","0.0397","0.0361","","","0.1003","0.1028","","","","","","1.068","","","","has coordinates,has disorder","246186","2020-10-21","18:00:00",""
"2311961","6.90927","0.00008","9.69846","0.0001","13.97198","0.00015","86.5557","0.0005","85.9678","0.0005","65.8305","0.0005","851.561","0.016","100","2","100","2","","","","","","","","5","P -1","-P 1","2","Oxyclozanide chlorobenzene hemisolvate","2,3,5-Trichloro-<i>N</i>-(3,5-dichloro-2-hydroxyphenyl)-6-hydroxybenzamide chlorobenzene hemisolvate","","- C16 H8.5 Cl5.5 N O3 -","- C16 H8.5 Cl5.5 N O3 -","- C32 H17 Cl11 N2 O6 -","2","1","EG3229","Sridhar, Balasubramanian; Ravikumar, Krishnan","Role of halogen-halogen contacts in the crystal structures of three new solvates of the drug oxyclozanide.","Acta crystallographica. Section C, Structural chemistry","2017","73","Pt 12","1056","1063","10.1107/S2053229617015923","","","0.71073","MoKα","","0.036","0.0301","","","0.073","0.0757","","","","","","1.096","","","","has coordinates,has disorder","246186","2020-10-21","18:00:00",""
"2311962","3.72856","0.00013","18.8381","0.0004","9.1981","0.0002","90","","101.337","0.003","90","","633.46","0.03","100","2","100","2","","","","","","","","5","P 1 21 1","P 2yb","4","","Poly[(μ~2~-2,2'-bipyridyl-κ^3^<i>N</i>,<i>N</i>':<i>N</i>)di-μ~3~-cyanido-κ^6^<i>C</i>:<i>N</i>:<i>N</i>-gold(I)potassium(I)]","","- C12 H8 Au K N4 -","- C12 H8 Au K N4 -","- C24 H16 Au2 K2 N8 -","2","1","KU3210","Döring, Cindy; Strey, Mark; Jones, Peter G.","The march of progress: structures of the adducts of potassium dicyanidoaurate(I) with 2,2'-bipyridyl (redetermination) and 1,10-phenanthroline.","Acta crystallographica. Section C, Structural chemistry","2017","73","Pt 12","1104","1108","10.1107/S2053229617016047","","","0.71073","MoKα","","0.0168","0.0153","","","0.029","0.0296","","","","","","1.056","","","","has coordinates","246187","2020-10-21","18:00:00",""
"2311963","41.202","0.003","3.67714","0.00016","19.5967","0.0014","90","","116.232","0.009","90","","2663.2","0.4","105","2","105","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","Poly[di-μ~3~-cyanido-κ^6^<i>C</i>:<i>N</i>:<i>N</i>-(μ~2~-1,10-phenanthroline-κ^3^<i>N</i>,<i>N</i>':<i>N</i>)gold(I)potassium(I)]","","- C14 H8 Au K N4 -","- C14 H8 Au K N4 -","- C112 H64 Au8 K8 N32 -","8","1","KU3210","Döring, Cindy; Strey, Mark; Jones, Peter G.","The march of progress: structures of the adducts of potassium dicyanidoaurate(I) with 2,2'-bipyridyl (redetermination) and 1,10-phenanthroline.","Acta crystallographica. Section C, Structural chemistry","2017","73","Pt 12","1104","1108","10.1107/S2053229617016047","","","0.71073","MoKα","","0.0794","0.0329","","","0.034","0.0367","","","","","","0.74","","","","has coordinates","246187","2020-10-21","18:00:00",""
"2311964","4.6448","0.001","15.632","0.003","14.13","0.003","90","","91.632","0.01","90","","1025.5","0.4","100","","100.01","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","2-Amino-9-{[(1,3-dihydroxypropan-2-yl)oxy]methyl}-6,9-dihydro-1<i>H</i>-purin-6-one","","- C9 H13 N5 O4 -","- C9 H13 N5 O4 -","- C36 H52 N20 O16 -","4","1","QP3002","Roque-Flores, Roxana L; Guzei, Ilia A.; Matos, Jivaldo do Rosario; Yu, Lian","Polymorphs of the antiviral drug ganciclovir.","Acta crystallographica. Section C, Structural chemistry","2017","73","Pt 12","1116","1120","10.1107/S2053229617016059","","","0.71073","MoKα","","0.0621","0.0535","","","0.1455","0.151","","","","","","1.022","","","","has coordinates","246188","2020-10-21","18:00:00",""
"2311965","19.9182","0.0009","19.9182","0.0009","19.9182","0.0009","116.98","0.002","116.98","0.002","116.98","0.002","3496.4","0.7","100","2","100","2","","","","","","","","4","R -3 :R","-P 3*","148","","(1'<i>RS</i>,2'<i>RS</i>,3<i>SR</i>,7a'<i>SR</i>)-2'-Benzoyl-1-hexyl-2-oxo-\ 1',2',5',6',7',7a'-hexahydrospiro[indoline-3,3'-pyrrolizine]-1'-carboxylic acid","","- C28 H32 N2 O4 -","- C28 H32 N2 O4 -","- C168 H192 N12 O24 -","6","1","SK3676","Quiroga, Jairo; Romo, Pablo; Cobo, Justo; Glidewell, Christopher","Synthesis of spiro[indoline-3,3'-pyrrolizines] by 1,3-dipolar reactions between isatins, L-proline and electron-deficient alkenes.","Acta crystallographica. Section C, Structural chemistry","2017","73","Pt 12","1109","1115","10.1107/S2053229617016072","","","0.71073","MoKα","","0.0909","0.0539","","","0.1118","0.1273","","","","","","1.034","","","","has coordinates","246189","2020-10-21","18:00:00",""
"2311966","12.8","0.004","12.511","0.005","18.638","0.005","90","","99.325","0.012","90","","2945.3","1.7","100","2","100","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","(1'<i>RS</i>,2'<i>RS</i>,3<i>SR</i>,7a'<i>SR</i>)-1',2'-Bis(4-chlorobenzoyl)-5,7-dichloro-2-oxo-1',2',5',6',7',7a'-hexahydrospiro[indoline-3,3'-pyrrolizine] dichloromethane 0.981-solvate","","- C28.981 H21.962 Cl5.962 N2 O3 -","- C28.981 H21.962 Cl5.962 N2 O3 -","- C115.924 H87.848 Cl23.848 N8 O12 -","4","1","SK3676","Quiroga, Jairo; Romo, Pablo; Cobo, Justo; Glidewell, Christopher","Synthesis of spiro[indoline-3,3'-pyrrolizines] by 1,3-dipolar reactions between isatins, L-proline and electron-deficient alkenes.","Acta crystallographica. Section C, Structural chemistry","2017","73","Pt 12","1109","1115","10.1107/S2053229617016072","","","0.71073","MoKα","","0.0319","0.0279","","","0.0671","0.0694","","","","","","1.038","","","","has coordinates,has disorder","246189","2020-10-21","18:00:00",""
"2311967","11.0485","0.0006","16.0249","0.0008","16.4318","0.0007","100.824","0.004","103.574","0.004","102.737","0.004","2668.9","0.2","150","2","150","2","","","","","","","","6","P -1","-P 1","2","","Bis[4'-(isoquinolin-2-ium-4-yl)-2,2':6',2'-terpyridine-1,1''-diium] tris[tetrachloridozincate(II)] monohydrate","","- C48 H40 Cl12 N8 O Zn3 -","- C48 H40 Cl12 N8 O Zn3 -","- C96 H80 Cl24 N16 O2 Zn6 -","2","1","JX3001","Granifo, Juan; Suárez, Sebastián; Boubeta, Fernando; Baggio, Ricardo","Crystallographic and computational study of a network composed of [ZnCl<sub>4</sub>]<sup>2-</sup> anions and triply protonated 4'-functionalized terpyridine cations.","Acta crystallographica. Section C, Structural chemistry","2017","73","Pt 12","1121","1130","10.1107/S2053229617016308","","","0.71073","MoKα","","0.0689","0.0427","","","0.0798","0.0924","","","","","","0.926","","","","has coordinates","246190","2020-10-21","18:00:00",""
"2311968","9.1277","0.001","13.5001","0.0016","14.6344","0.0017","113.316","0.003","103.239","0.003","100.711","0.003","1533","0.3","100","","100","","","","","","","","","7","P -1","-P 1","2","","Di-μ-bromido-bis{[1-(cyclohepta-2,4,6-trien-2-yl-1-ylidene-κ<i>C</i>^1^)-3-(2,6-diisopropylphenyl)imidazol-4-in-2-ylidene]palladium(II)} bis(pentaiodide) dichloromethane monosolvate","","- C45 H50 Br2 Cl2 I10 N4 Pd2 -","- C44 H48 Br2 I10 N4 Pd2 -","- C44 H48 Br2 I10 N4 Pd2 -","1","0.5","OV3101","Jandl, Christian; Pöthig, Alexander","Dimerization of a mixed-carbene Pd<sup>II</sup> dibromide complex by elemental iodine.","Acta crystallographica. Section C, Structural chemistry","2017","73","Pt 12","1131","1136","10.1107/S2053229617016412","","","0.71073","MoKα","","0.0285","0.0233","","","0.0491","0.0509","","","","","","1.072","","","","has coordinates","246191","2020-10-21","18:00:00",""
"2311969","22.622","0.0004","7.1937","0.0002","13.5315","0.0007","90","","103.499","0.002","90","","2141.23","0.13","120","2","120","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","4-[(<i>Z</i>)-4-(4-Chlorobenzylidene)-5-oxo-3,4-dihydro-1<i>H</i>-imidazol-2-yl]-1-(2-hydroxyethyl)piperazin-1-ium pyridine-2-carboxylate","","- C22 H24 Cl N5 O4 -","- C22 H24 Cl N5 O4 -","- C88 H96 Cl4 N20 O16 -","4","1","KY3131","Żesławska, Ewa; Nitek, Wojciech; Handzlik, Jadwiga","Conformational study of (Z)-5-(4-chlorobenzylidene)-2-[4-(2-hydroxyethyl)piperazin-1-yl]-3H-imidazol-4(5H)-one in different environments: insight into the structural properties of bacterial efflux pump inhibitors.","Acta crystallographica. Section C, Structural chemistry","2017","73","Pt 12","1151","1157","10.1107/S2053229617016461","","","0.71073","MoKα","","0.064","0.0434","","","0.0935","0.1027","","","","","","1.022","","","","has coordinates","246192","2020-10-21","18:00:00",""
"2311970","7.8667","0.0004","11.9015","0.0007","14.4406","0.0009","66.859","0.006","85.085","0.004","81.332","0.005","1228.51","0.13","298","2","298","2","","","","","","","","5","P -1","-P 1","2","","4-[(<i>Z</i>)-4-(4-Chlorobenzylidene)-5-oxo-3,4-dihydro-1<i>H</i>-imidazol-2-yl]-1-(2-hydroxyethyl)piperazin-1-ium 2-(4-nitrophenyl)acetate","","- C24 H26 Cl N5 O6 -","- C24 H26 Cl N5 O6 -","- C48 H52 Cl2 N10 O12 -","2","1","KY3131","Żesławska, Ewa; Nitek, Wojciech; Handzlik, Jadwiga","Conformational study of (Z)-5-(4-chlorobenzylidene)-2-[4-(2-hydroxyethyl)piperazin-1-yl]-3H-imidazol-4(5H)-one in different environments: insight into the structural properties of bacterial efflux pump inhibitors.","Acta crystallographica. Section C, Structural chemistry","2017","73","Pt 12","1151","1157","10.1107/S2053229617016461","","","1.54184","CuKα","","0.0906","0.0675","","","0.1888","0.2227","","","","","","1.026","","","","has coordinates,has disorder","246192","2020-10-21","18:00:00",""
"2311971","10.0831","0.0001","17.4525","0.0002","7.6133","0.0001","90","","99.48","0.001","90","","1321.46","0.03","100","0.1","100","0.1","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","(Acetone thiosemicarbazone-κ^2^<i>N</i>^1^,<i>S</i>)bis(isothiocyanato-κ<i>N</i>)zinc(II) monohydrate","","- C6 H11 N5 O S3 Zn -","- C6 H11 N5 O S3 Zn -","- C24 H44 N20 O4 S12 Zn4 -","4","1","KU3206","Swiatkowski, Marcin; Kruszynski, Rafal","New fluorescent compounds based on zinc thiocyanate: influence of structure on spectral properties.","Acta crystallographica. Section C, Structural chemistry","2017","73","Pt 12","1144","1150","10.1107/S2053229617016564","","","1.54184","CuKα","","0.0275","0.0252","","","0.0674","0.0688","","","","","","1.055","","","","has coordinates","246193","2020-10-21","18:00:00",""
"2311972","21.8246","0.0008","5.0239","0.0002","21.6451","0.0008","90","","90.074","0.004","90","","2373.27","0.16","100","0.1","100","0.1","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","Diaquatetrakis(urea-κ<i>O</i>)zinc(II) tetrakis(isothiocyanato-κ<i>N</i>)zinc(II)","","- C8 H20 N12 O6 S4 Zn2 -","- C8 H20 N12 O6 S4 Zn2 -","- C32 H80 N48 O24 S16 Zn8 -","4","0.5","KU3206","Swiatkowski, Marcin; Kruszynski, Rafal","New fluorescent compounds based on zinc thiocyanate: influence of structure on spectral properties.","Acta crystallographica. Section C, Structural chemistry","2017","73","Pt 12","1144","1150","10.1107/S2053229617016564","","","0.71073","MoKα","","0.0196","0.018","","","0.0488","0.0494","","","","","","1.063","","","","has coordinates","246193","2020-10-21","18:00:00",""
"2311973","7.9565","0.0003","8.5027","0.0003","11.0842","0.0003","77.857","0.003","76.632","0.003","62.158","0.004","640.51","0.04","100","2","100","2","","","","","","","","3","P -1","-P 1","2","","1-(4-Hexyloxy-3-hydroxyphenyl)ethanone","","- C14 H20 O3 -","- C14 H20 O3 -","- C28 H40 O6 -","2","1","FN3250","Suárez, Sebastián; Manzano, Veronica E.; Fantoni, Adolfo C.; Halac, Emilia; Baggio, Ricardo; Cukiernik, Fabio D.","A combined crystallographic, thermal, Raman and computational study on polymorphism and phase transition in 1-(4-hexyloxy-3-hydroxyphenyl)ethanone.","Acta crystallographica. Section C, Structural chemistry","2017","73","Pt 12","1137","1143","10.1107/S2053229617016795","","","0.71073","MoKα","","0.0518","0.04","","","0.1023","0.1108","","","","","","1.019","","","","has coordinates","246194","2020-10-21","18:00:00",""
"2312016","5.4475","0.0005","22.545","0.002","5.5411","0.0005","90","","95.446","0.002","90","","677.45","0.11","90","","90","","","","","","","","","5","P 1 21 1","P 2yb","4","Silver(I) L-valine","<i>catena</i>-Poly[silver(I)-μ-<i>L</i>-valinato-κ^2^<i>N</i>:<i>O</i>]","","- C5 H10 Ag N O2 -","- C5 H10 Ag N O2 -","- C20 H40 Ag4 N4 O8 -","4","2","IS5463","Takagi, Yoshitaka; Okamoto, Youhei; Inoue, Chisato; Kasuga, Noriko Chikaraishi; Nomiya, Kenji","Crystal structure of <i>catena</i>-poly[silver(I)-μ-l-valinato-κ<sup>2</sup><i>N</i>:<i>O</i>].","Acta crystallographica. Section E, Crystallographic communications","2017","73","Pt 3","354","357","10.1107/S2056989017001815","","","0.71073","MoKα","","0.0222","0.022","","","0.0539","0.054","","","","","","1.154","","","","has coordinates","246243","2020-10-21","18:00:00",""
"2312017","12.9336","0.0004","14.5249","0.0004","19.9141","0.0005","90","","90","","90","","3741.05","0.18","296","2","296","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","Bis{(<i>S</i>)-2-[(2-hydroxybenzyl)amino]-4-methylpentanoato-κ^2^<i>N</i>,<i>O</i>}(1,10-phenanthroline-κ^2^<i>N</i>,<i>N</i>')nickel(II)","","- C38 H44 N4 Ni O6 -","- C38 H44 N4 Ni O6 -","- C152 H176 N16 Ni4 O24 -","4","1","IM2482","Faizi, Md Serajul Haque; Dege, Necmi; Malinkin, Sergey","Crystal structure and DFT study of bis-{(<i>S</i>)-2-[(2-hy-droxy-benzyl)-amino]-4-methyl-penta-noato-κ<sup>2</sup><i>N</i>,<i>O</i>}(1,10-phenanthroline-κ<sup>2</sup><i>N</i>,<i>N</i>')nickel(II).","Acta crystallographica. Section E, Crystallographic communications","2017","73","Pt 9","1393","1397","10.1107/S2056989017012014","","","0.71073","MoKα","","0.0702","0.0432","","","0.1177","0.133","","","","","","0.948","","","","has coordinates,has Fobs","246247","2020-10-21","18:00:00",""
"2312018","9.0998","0.0008","9.3544","0.001","15.508","0.002","84.176","0.001","75.54","0.008","61.067","0.006","1118.4","0.2","98","2","98","2","","","","","","","","6","P -1","-P 1","2","","{μ~2~-<i>N</i>,<i>N</i>'-bis[(pyridin-3-yl)methyl]ethanediamide}tetrakis(dimethylcarbamodithioato)dizinc(II) dimethylformamide disolvate","","- C32 H52 N10 O4 S8 Zn2 -","- C32 H52 N10 O4 S8 Zn2 -","- C32 H52 N10 O4 S8 Zn2 -","1","0.5","HB7704","Arman, Hadi D.; Poplaukhin, Pavel; Tiekink, Edward R. T.","Crystal structures of {μ<sub>2</sub>-<i>N</i>,<i>N</i>'-bis-[(pyridin-3-yl)meth-yl]ethanedi-amide}tetra-kis-(di-methyl-carbamodi-thio-ato)dizinc(II) di-methyl-formamide disolvate and {μ<sub>2</sub>-<i>N</i>,<i>N</i>'-bis-[(pyridin-3-yl)meth-yl]ethanedi-amide}tetra-kis-(di-<i>n</i>-propyl-carbamodi-thio-ato)dizinc(II).","Acta crystallographica. Section E, Crystallographic communications","2017","73","Pt 10","1501","1507","10.1107/S2056989017012956","","","0.71073","MoKα","","0.0323","0.031","","","0.0824","0.0839","","","","","","1.049","","","","has coordinates,has Fobs","246248","2020-10-21","18:00:00",""
"2312019","31.048","0.004","16.923","0.002","10.3453","0.0014","90","","100.361","0.002","90","","5347","1.2","98","2","98","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","{μ~2~-<i>N</i>,<i>N</i>'-Bis[(pyridin-3-yl)methyl]ethanediamide}tetrakis(di-<i>n</i>-propylcarbamodithioato)dizinc(II)","","- C42 H70 N8 O2 S8 Zn2 -","- C42 H70 N8 O2 S8 Zn2 -","- C168 H280 N32 O8 S32 Zn8 -","4","0.5","HB7704","Arman, Hadi D.; Poplaukhin, Pavel; Tiekink, Edward R. T.","Crystal structures of {μ<sub>2</sub>-<i>N</i>,<i>N</i>'-bis-[(pyridin-3-yl)meth-yl]ethanedi-amide}tetra-kis-(di-methyl-carbamodi-thio-ato)dizinc(II) di-methyl-formamide disolvate and {μ<sub>2</sub>-<i>N</i>,<i>N</i>'-bis-[(pyridin-3-yl)meth-yl]ethanedi-amide}tetra-kis-(di-<i>n</i>-propyl-carbamodi-thio-ato)dizinc(II).","Acta crystallographica. Section E, Crystallographic communications","2017","73","Pt 10","1501","1507","10.1107/S2056989017012956","","","0.71073","MoKα","","0.0362","0.0329","","","0.0755","0.0773","","","","","","1.087","","","","has coordinates,has Fobs","246248","2020-10-21","18:00:00",""
"2312020","6.2899","0.0013","15.167","0.003","17.938","0.004","90","","90","","90","","1711.3","0.6","170","2","170","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","5-(Dibenzofuran-4-yl)-2'-deoxyuridine","","- C21 H18 N2 O6 -","- C21 H18 N2 O6 -","- C84 H72 N8 O24 -","4","1","DS2247","Gayakhe, Vijay; Kapdi, Anant Ramakant; Borozdina, Yulia; Schulzke, Carola","Crystal structure of 5-(dibenzo-furan-4-yl)-2'-deoxy-uridine.","Acta crystallographica. Section E, Crystallographic communications","2017","73","Pt 10","1493","1496","10.1107/S2056989017013111","","","0.71073","MoKα","","0.0848","0.057","","","0.1291","0.1434","","","","","","0.962","","","","has coordinates,has Fobs","246249","2020-10-21","18:00:00",""
"2312021","5.95","0.0002","6.765","0.0002","8.4363","0.0003","90","","96.746","0.002","90","","337.225","0.019","173","2","173","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","2,2'-Bipyrrole","","- C8 H8 N2 -","- C8 H8 N2 -","- C16 H16 N4 -","2","0.5","HB7692","Michaels, Christopher A.; Zakharov, Lev N.; Lamm, Ashley N.","Crystal structure of 2,2'-bi-pyrrole.","Acta crystallographica. Section E, Crystallographic communications","2017","73","Pt 10","1517","1519","10.1107/S2056989017013433","","","1.54178","CuKα","","0.0367","0.0337","","","0.0947","0.0981","","","","","","1.078","","","","has coordinates,has Fobs","246250","2020-10-21","18:00:00",""
"2312022","11.0965","0.0011","19.12","0.002","7.5453","0.0008","90","","91.0813","0.0019","90","","1600.6","0.3","90","","90","","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","4-Dimethylaminopyridinium dimethylammonium tetrachloridolead(II)","","- C9 H19 Cl4 N3 Pb -","- C9 H19 Cl4 N3 Pb -","- C36 H76 Cl16 N12 Pb4 -","4","0.5","NR2065","Benson, Cassidy A.; Bateman, Gage; Cox, Jordan M.; Benedict, Jason B.","Hybrid organic-inorganic crystal structure of 4-(di-methyl-amino)-pyridinium di-methyl-ammonium tetra-chlorido-lead(II).","Acta crystallographica. Section E, Crystallographic communications","2017","73","Pt 11","1670","1673","10.1107/S2056989017014062","","","0.71073","MoKα","","0.0136","0.013","","","0.0332","0.0335","","","","","","1.036","","","","has coordinates,has Fobs","246251","2020-10-21","18:00:00",""
"2312023","7.66978","0.00018","8.7286","0.00013","23.7524","0.0004","90","","98.7356","0.0016","90","","1571.69","0.05","100","2","100","2","","","","","","","","5","I 1 2 1","I 2y","5","","4,6-Dimethyl-2-{[3,4,5-trihydroxy-6-(hydroxymethyl)tetrahydro-\ 2<i>H</i>-pyran-2-yl]sulfanyl}nicotinonitrile","","- C14 H18 N2 O5 S -","- C14 H18 N2 O5 S -","- C56 H72 N8 O20 S4 -","4","1","QM2120","Masoud, Doaa M.; Hammad, Sherif F.; Elgemeie, Galal H.; Jones, Peter G.","Crystal structure of 4,6-dimethyl-2-{[3,4,5-trihy-droxy-6-(hy-droxy-meth-yl)tetra-hydro-2<i>H</i>-pyran-2-yl]sulfan-yl}nicotino-nitrile.","Acta crystallographica. Section E, Crystallographic communications","2017","73","Pt 11","1751","1754","10.1107/S2056989017015213","","","0.71073","MoKα","","0.0256","0.0241","","","0.0621","0.0631","","","","","","1.054","","","","has coordinates,has Fobs","246252","2020-10-21","18:00:00",""
"3000098","12.5269","","12.5269","","12.7181","","90","","90","","120","","1728.38","","298","","298","","","","","","","","","3","R 3 c :H","R 3 -2""c","161","","","","- B2 Ba O4 -","- B2 Ba O4 -","- B36 Ba18 O72 -","18","1","","Bubnova, Rimma; Volkov, Sergey; Barbara Albert; Filatov, Stanislav","Borates‒Crystal Structures of Prospective Nonlinear Optical Materials: High Anisotropy of the Thermal Expansion Caused by Anharmonic Atomic Vibrations","Crystals","2017","7","3","93","","10.3390/cryst7030093","","x-ray","0.71073","MoKα","","0.0366","0.0311","","","0.0341","0.0352","","","","1.22","1.22","1.17","","","","has coordinates","265307","2021-05-18","16:36:57",""
"3000099","12.5517","0.0019","12.5517","0.0019","12.985","0.003","90","","90","","120","","1771.6","0.6","693","","693","","","","","","","","","3","R 3 c :H","R 3 -2""c","161","","","","- B2 Ba O4 -","- B0.666667 Ba0.333333 O1.33333 -","- B36 Ba18 O72 -","54","3","","Bubnova, Rimma; Volkov, Sergey; Barbara Albert; Filatov, Stanislav","Borates‒Crystal Structures of Prospective Nonlinear Optical Materials: High Anisotropy of the Thermal Expansion Caused by Anharmonic Atomic Vibrations","Crystals","2017","7","3","93","","10.3390/cryst7030093","","x-ray","0.71069","MoKα","","","","","","","","","","","","","","","","","has coordinates","265307","2021-05-18","16:36:58",""
"3000100","12.5806","0.0014","12.5806","0.0014","12.7947","0.0018","90","","90","","120","","1753.7","0.4","323","","323","","","","","","","","","3","R 3 c :H","R 3 -2""c","161","","","","- B2 Ba O4 -","- B2 Ba O4 -","- B36 Ba18 O72 -","18","1","","Bubnova, Rimma; Volkov, Sergey; Barbara Albert; Filatov, Stanislav","Borates‒Crystal Structures of Prospective Nonlinear Optical Materials: High Anisotropy of the Thermal Expansion Caused by Anharmonic Atomic Vibrations","Crystals","2017","7","3","93","","10.3390/cryst7030093","","x-ray","0.71073","MoKα","","0.0296","0.0293","","","0.0382","0.0383","","","","3.3","3.3","3.28","","","","has coordinates","265307","2021-05-18","16:36:58",""
"3000101","12.5685","0.0014","12.5685","0.0014","12.7714","0.0018","90","","90","","120","","1747.2","0.4","298","","298","","","","","","","","","3","R 3 c :H","R 3 -2""c","161","","","","- B2 Ba O4 -","- B2 Ba O4 -","- B36 Ba18 O72 -","18","1","","Bubnova, Rimma; Volkov, Sergey; Barbara Albert; Filatov, Stanislav","Borates‒Crystal Structures of Prospective Nonlinear Optical Materials: High Anisotropy of the Thermal Expansion Caused by Anharmonic Atomic Vibrations","Crystals","2017","7","3","93","","10.3390/cryst7030093","","x-ray","0.71073","MoKα","","0.0244","0.0242","","","0.0304","0.0305","","","","2.67","2.67","2.66","","","","has coordinates","265307","2021-05-18","16:36:58",""
"3000102","12.582","0.0015","12.582","0.0015","12.7519","0.0019","90","","90","","120","","1748.3","0.4","223","","223","","","","","","","","","3","R 3 c :H","R 3 -2""c","161","","","","- B2 Ba O4 -","- B2 Ba O4 -","- B36 Ba18 O72 -","18","1","","Bubnova, Rimma; Volkov, Sergey; Barbara Albert; Filatov, Stanislav","Borates‒Crystal Structures of Prospective Nonlinear Optical Materials: High Anisotropy of the Thermal Expansion Caused by Anharmonic Atomic Vibrations","Crystals","2017","7","3","93","","10.3390/cryst7030093","","x-ray","0.71073","MoKα","","0.024","0.0237","","","0.0294","0.0295","","","","2.55","2.55","2.54","","","","has coordinates","265307","2021-05-18","16:36:58",""
"3000103","12.5828","0.0015","12.5828","0.0015","12.7291","0.0018","90","","90","","120","","1745.4","0.4","173","","173","","","","","","","","","3","R 3 c :H","R 3 -2""c","161","","","","- B2 Ba O4 -","- B2 Ba O4 -","- B36 Ba18 O72 -","18","1","","Bubnova, Rimma; Volkov, Sergey; Barbara Albert; Filatov, Stanislav","Borates‒Crystal Structures of Prospective Nonlinear Optical Materials: High Anisotropy of the Thermal Expansion Caused by Anharmonic Atomic Vibrations","Crystals","2017","7","3","93","","10.3390/cryst7030093","","x-ray","0.71073","MoKα","","0.0294","0.0293","","","0.0392","0.0392","","","","3.5","3.5","3.49","","","","has coordinates","265307","2021-05-18","16:36:58",""
"3000104","12.5868","0.0018","12.5868","0.0018","12.709","0.002","90","","90","","120","","1743.7","0.4","123","","123","","","","","","","","","3","R 3 c :H","R 3 -2""c","161","","","","- B2 Ba O4 -","- B2 Ba O4 -","- B36 Ba18 O72 -","18","1","","Bubnova, Rimma; Volkov, Sergey; Barbara Albert; Filatov, Stanislav","Borates‒Crystal Structures of Prospective Nonlinear Optical Materials: High Anisotropy of the Thermal Expansion Caused by Anharmonic Atomic Vibrations","Crystals","2017","7","3","93","","10.3390/cryst7030093","","x-ray","0.71073","MoKα","","0.0246","0.0245","","","0.0315","0.0315","","","","2.84","2.84","2.84","","","","has coordinates","265307","2021-05-18","16:36:58",""
"3000105","12.5761","0.0003","12.5761","0.0003","12.6453","0.0009","90","","90","","120","","1732.02","0.14","98","","98","","","","","","","","","3","R 3 c :H","R 3 -2""c","161","","","","- B2 Ba O4 -","- B2 Ba O4 -","- B36 Ba18 O72 -","18","1","","Bubnova, Rimma; Volkov, Sergey; Barbara Albert; Filatov, Stanislav","Borates‒Crystal Structures of Prospective Nonlinear Optical Materials: High Anisotropy of the Thermal Expansion Caused by Anharmonic Atomic Vibrations","Crystals","2017","7","3","93","","10.3390/cryst7030093","","x-ray","0.71073","MoKα","","0.0342","0.0341","","","0.0449","0.0449","","","","4","4","4","","","","has coordinates","265307","2021-05-18","16:36:58",""
"3000106","7.242","0.006","7.242","0.006","39.25","0.002","90","","90","","120","","1783","2","673","","673","","","","","","","","","3","R -3 c :H","-R 3 2""c","167","","","","- B2 Ba O4 -","- B0.666667 Ba0.333333 O1.33333 -","- B36 Ba18 O72 -","54","1.5","","Bubnova, Rimma; Volkov, Sergey; Barbara Albert; Filatov, Stanislav","Borates‒Crystal Structures of Prospective Nonlinear Optical Materials: High Anisotropy of the Thermal Expansion Caused by Anharmonic Atomic Vibrations","Crystals","2017","7","3","93","","10.3390/cryst7030093","","x-ray","0.71069","MoKα","","","","","","","","","","","","","","","","","has coordinates","265307","2021-05-18","16:36:58",""
"3000107","7.227","0.006","7.227","0.006","39.031","0.002","90","","90","","120","","1765","2","298","","298","","","","","","","","","3","R -3 c :H","-R 3 2""c","167","","","","- B2 Ba O4 -","- B0.666667 Ba0.333333 O1.33333 -","- B36 Ba18 O72 -","54","1.5","","Bubnova, Rimma; Volkov, Sergey; Barbara Albert; Filatov, Stanislav","Borates‒Crystal Structures of Prospective Nonlinear Optical Materials: High Anisotropy of the Thermal Expansion Caused by Anharmonic Atomic Vibrations","Crystals","2017","7","3","93","","10.3390/cryst7030093","","x-ray","0.71069","MoKα","","","","","","","","","","","","","","","","","has coordinates","265307","2021-05-18","16:36:58",""
"3000108","8.555","0.0012","8.555","0.0012","8.443","0.0013","90","","90","","120","","535.14","0.13","98","","98","","","","","","","","","4","P 3 2 1","P 3 2""","150","","","","- Al2 B2 K2 O7 -","- Al2 B2 K2 O7 -","- Al6 B6 K6 O21 -","3","0.5","","Bubnova, Rimma; Volkov, Sergey; Barbara Albert; Filatov, Stanislav","Borates‒Crystal Structures of Prospective Nonlinear Optical Materials: High Anisotropy of the Thermal Expansion Caused by Anharmonic Atomic Vibrations","Crystals","2017","7","3","93","","10.3390/cryst7030093","","x-ray","0.71073","MoKα","","0.0261","0.0226","","","0.0255","0.0259","","","","1.56","1.56","1.52","","","","has coordinates","265307","2021-05-18","16:36:58",""
"3000109","8.5592","0.0012","8.5592","0.0012","8.4485","0.0013","90","","90","","120","","536.01","0.13","123","","123","","","","","","","","","4","P 3 2 1","P 3 2""","150","","","","- Al2 B2 K2 O7 -","- Al2 B2 K2 O7 -","- Al6 B6 K6 O21 -","3","0.5","","Bubnova, Rimma; Volkov, Sergey; Barbara Albert; Filatov, Stanislav","Borates‒Crystal Structures of Prospective Nonlinear Optical Materials: High Anisotropy of the Thermal Expansion Caused by Anharmonic Atomic Vibrations","Crystals","2017","7","3","93","","10.3390/cryst7030093","","x-ray","0.71073","MoKα","","0.0282","0.0228","","","0.0234","0.0241","","","","1.37","1.37","1.34","","","","has coordinates","265307","2021-05-18","16:36:58",""
"3000110","8.5852","0.0013","8.5852","0.0013","8.4855","0.0014","90","","90","","120","","541.64","0.15","173","","173","","","","","","","","","4","P 3 2 1","P 3 2""","150","","","","- Al2 B2 K2 O7 -","- Al2 B2 K2 O7 -","- Al6 B6 K6 O21 -","3","0.5","","Bubnova, Rimma; Volkov, Sergey; Barbara Albert; Filatov, Stanislav","Borates‒Crystal Structures of Prospective Nonlinear Optical Materials: High Anisotropy of the Thermal Expansion Caused by Anharmonic Atomic Vibrations","Crystals","2017","7","3","93","","10.3390/cryst7030093","","x-ray","0.71073","MoKα","","0.0251","0.0215","","","0.0224","0.0229","","","","1.34","1.34","1.31","","","","has coordinates","265307","2021-05-18","16:36:58",""
"3000111","8.5683","0.0012","8.5683","0.0012","8.4633","0.0013","90","","90","","120","","538.1","0.13","223","","223","","","","","","","","","4","P 3 2 1","P 3 2""","150","","","","- Al2 B2 K2 O7 -","- Al2 B2 K2 O7 -","- Al6 B6 K6 O21 -","3","0.5","","Bubnova, Rimma; Volkov, Sergey; Barbara Albert; Filatov, Stanislav","Borates‒Crystal Structures of Prospective Nonlinear Optical Materials: High Anisotropy of the Thermal Expansion Caused by Anharmonic Atomic Vibrations","Crystals","2017","7","3","93","","10.3390/cryst7030093","","x-ray","0.71073","MoKα","","0.0253","0.0214","","","0.0215","0.022","","","","1.25","1.25","1.22","","","","has coordinates","265307","2021-05-18","16:36:58",""
"3000112","8.5843","0.0009","8.5843","0.0009","8.486","0.002","90","","90","","120","","541.56","0.15","298","","298","","","","","","","","","4","P 3 2 1","P 3 2""","150","","","","- Al2 B2 K2 O7 -","- Al2 B2 K2 O7 -","- Al6 B6 K6 O21 -","3","0.5","","Bubnova, Rimma; Volkov, Sergey; Barbara Albert; Filatov, Stanislav","Borates‒Crystal Structures of Prospective Nonlinear Optical Materials: High Anisotropy of the Thermal Expansion Caused by Anharmonic Atomic Vibrations","Crystals","2017","7","3","93","","10.3390/cryst7030093","","x-ray","0.71073","MoKα","","0.0269","0.0226","","","0.0231","0.0236","","","","1.32","1.32","1.27","","","","has coordinates","265307","2021-05-18","16:36:58",""
"3000113","8.5987","0.0013","8.5987","0.0013","8.5052","0.0015","90","","90","","120","","544.6","0.15","348","","348","","","","","","","","","4","P 3 2 1","P 3 2""","150","","","","- Al2 B2 K2 O7 -","- Al2 B2 K2 O7 -","- Al6 B6 K6 O21 -","3","0.5","","Bubnova, Rimma; Volkov, Sergey; Barbara Albert; Filatov, Stanislav","Borates‒Crystal Structures of Prospective Nonlinear Optical Materials: High Anisotropy of the Thermal Expansion Caused by Anharmonic Atomic Vibrations","Crystals","2017","7","3","93","","10.3390/cryst7030093","","x-ray","0.71073","MoKα","","0.0313","0.0252","","","0.0229","0.0237","","","","1.23","1.23","1.19","","","","has coordinates","265307","2021-05-18","16:36:58",""
"3000114","8.478","0.005","7.398","0.004","5.22","0.003","90","","90","","90","","327.4","0.3","98","","98","","","","","","","","","3","P n a 21","P 2c -2n","33","","","","- B3 Li O5 -","- B3 Li O5 -","- B12 Li4 O20 -","4","1","","Bubnova, Rimma; Volkov, Sergey; Barbara Albert; Filatov, Stanislav","Borates‒Crystal Structures of Prospective Nonlinear Optical Materials: High Anisotropy of the Thermal Expansion Caused by Anharmonic Atomic Vibrations","Crystals","2017","7","3","93","","10.3390/cryst7030093","","x-ray","0.71073","MoKα","","0.0405","0.0285","","","0.0277","0.029","","","","1.49","1.49","1.39","","","","has coordinates","265307","2021-05-18","16:36:58",""
"3000115","8.4386","0.0011","7.3725","0.0016","5.1954","0.0019","90","","90","","90","","323.22","0.14","123","","123","","","","","","","","","3","P n a 21","P 2c -2n","33","","","","- B3 Li O5 -","- B3 Li O5 -","- B12 Li4 O20 -","4","1","","Bubnova, Rimma; Volkov, Sergey; Barbara Albert; Filatov, Stanislav","Borates‒Crystal Structures of Prospective Nonlinear Optical Materials: High Anisotropy of the Thermal Expansion Caused by Anharmonic Atomic Vibrations","Crystals","2017","7","3","93","","10.3390/cryst7030093","","x-ray","0.71073","MoKα","","0.0323","0.0248","","","0.0235","0.0245","","","","1.33","1.33","1.26","","","","has coordinates","265307","2021-05-18","16:36:58",""
"3000116","8.4524","0.0012","7.3868","0.0018","5.202","0.002","90","","90","","90","","324.79","0.15","148","","148","","","","","","","","","3","P n a 21","P 2c -2n","33","","","","- B3 Li O5 -","- B3 Li O5 -","- B12 Li4 O20 -","4","1","","Bubnova, Rimma; Volkov, Sergey; Barbara Albert; Filatov, Stanislav","Borates‒Crystal Structures of Prospective Nonlinear Optical Materials: High Anisotropy of the Thermal Expansion Caused by Anharmonic Atomic Vibrations","Crystals","2017","7","3","93","","10.3390/cryst7030093","","x-ray","0.71073","MoKα","","0.0394","0.0292","","","0.0289","0.0298","","","","1.53","1.53","1.4","","","","has coordinates","265307","2021-05-18","16:36:58",""
"3000117","8.4437","0.0013","7.377","0.0019","5.189","0.002","90","","90","","90","","323.22","0.16","173","","173","","","","","","","","","3","P n a 21","P 2c -2n","33","","","","- B3 Li O5 -","- B3 Li O5 -","- B12 Li4 O20 -","4","1","","Bubnova, Rimma; Volkov, Sergey; Barbara Albert; Filatov, Stanislav","Borates‒Crystal Structures of Prospective Nonlinear Optical Materials: High Anisotropy of the Thermal Expansion Caused by Anharmonic Atomic Vibrations","Crystals","2017","7","3","93","","10.3390/cryst7030093","","x-ray","0.71073","MoKα","","0.0416","0.0262","","","0.0248","0.0265","","","","1.36","1.36","1.3","","","","has coordinates","265307","2021-05-18","16:36:58",""
"3000118","8.501","0.0012","7.4043","0.0018","5.211","0.002","90","","90","","90","","328","0.16","198","","198","","","","","","","","","3","P n a 21","P 2c -2n","33","","","","- B3 Li O5 -","- B3 Li O5 -","- B12 Li4 O20 -","4","1","","Bubnova, Rimma; Volkov, Sergey; Barbara Albert; Filatov, Stanislav","Borates‒Crystal Structures of Prospective Nonlinear Optical Materials: High Anisotropy of the Thermal Expansion Caused by Anharmonic Atomic Vibrations","Crystals","2017","7","3","93","","10.3390/cryst7030093","","x-ray","0.71073","MoKα","","0.0373","0.0259","","","0.0235","0.0245","","","","1.23","1.23","1.14","","","","has coordinates","265307","2021-05-18","16:36:58",""
"3000119","8.446","0.0011","7.3749","0.0017","5.175","0.002","90","","90","","90","","322.34","0.15","223","","223","","","","","","","","","3","P n a 21","P 2c -2n","33","","","","- B3 Li O5 -","- B3 Li O5 -","- B12 Li4 O20 -","4","1","","Bubnova, Rimma; Volkov, Sergey; Barbara Albert; Filatov, Stanislav","Borates‒Crystal Structures of Prospective Nonlinear Optical Materials: High Anisotropy of the Thermal Expansion Caused by Anharmonic Atomic Vibrations","Crystals","2017","7","3","93","","10.3390/cryst7030093","","x-ray","0.71073","MoKα","","0.0385","0.027","","","0.0255","0.0268","","","","1.34","1.34","1.25","","","","has coordinates","265307","2021-05-18","16:36:58",""
"3000120","8.4605","0.0011","7.3809","0.0016","5.1703","0.0019","90","","90","","90","","322.87","0.14","248","","248","","","","","","","","","3","P n a 21","P 2c -2n","33","","","","- B3 Li O5 -","- B3 Li O5 -","- B12 Li4 O20 -","4","1","","Bubnova, Rimma; Volkov, Sergey; Barbara Albert; Filatov, Stanislav","Borates‒Crystal Structures of Prospective Nonlinear Optical Materials: High Anisotropy of the Thermal Expansion Caused by Anharmonic Atomic Vibrations","Crystals","2017","7","3","93","","10.3390/cryst7030093","","x-ray","0.71073","MoKα","","0.047","0.0348","","","0.0343","0.0352","","","","1.72","1.72","1.54","","","","has coordinates","265307","2021-05-18","16:36:58",""
"3000121","8.4453","0.001","7.3653","0.0015","5.1564","0.0019","90","","90","","90","","320.74","0.14","273","","273","","","","","","","","","3","P n a 21","P 2c -2n","33","","","","- B3 Li O5 -","- B3 Li O5 -","- B12 Li4 O20 -","4","1","","Bubnova, Rimma; Volkov, Sergey; Barbara Albert; Filatov, Stanislav","Borates‒Crystal Structures of Prospective Nonlinear Optical Materials: High Anisotropy of the Thermal Expansion Caused by Anharmonic Atomic Vibrations","Crystals","2017","7","3","93","","10.3390/cryst7030093","","x-ray","0.71073","MoKα","","0.0514","0.0365","","","0.0393","0.0401","","","","1.98","1.98","1.77","","","","has coordinates","265307","2021-05-18","16:36:58",""
"3000122","8.5109","0.0011","7.4112","0.0017","5.173","0.002","90","","90","","90","","326.29","0.15","298","","298","","","","","","","","","3","P n a 21","P 2c -2n","33","","","","- B3 Li O5 -","- B3 Li O5 -","- B12 Li4 O20 -","4","1","","Bubnova, Rimma; Volkov, Sergey; Barbara Albert; Filatov, Stanislav","Borates‒Crystal Structures of Prospective Nonlinear Optical Materials: High Anisotropy of the Thermal Expansion Caused by Anharmonic Atomic Vibrations","Crystals","2017","7","3","93","","10.3390/cryst7030093","","x-ray","0.71073","MoKα","","0.0462","0.0321","","","0.033","0.034","","","","1.63","1.63","1.46","","","","has coordinates","265307","2021-05-18","16:36:58",""
"3000125","9.06956","0.00014","5.51771","0.00015","7.27476","0.00012","90","","90","","90","","364.052","0.013","303","","303","","","","","","","","","4","P n m a","-P 2ac 2n","62","radium-barium sulfate","","","- Ba O16 Ra3 S4 -","- Ba O16 Ra3 S4 -","- Ba O16 Ra3 S4 -","1","0.125","","Matyskin, Artem V.; Ylmen, Rikard; Lagerkvist, Petra; Ramebäck, Henrik; Ekberg, Christian","Crystal structure of radium sulfate: An X-ray powder diffraction and density functional theory study","Journal of Solid State Chemistry","2017","253","","15","20","10.1016/j.jssc.2017.05.024","powder diffraction","","1.5418","CuKα","","","","","","","","","7.2267","1.507","","","","","","","has coordinates","197073","2020-10-21","18:00:00",""
"3500064","3.48379","0.00007","5.2591","0.00008","10.42762","0.00017","90","","93.0959","0.0009","90","","190.772","0.006","295","","295","","","","","","","","Sigma-Aldrich","3","P 1 21/c 1","-P 2ybc","14","","","","- C2 Na2 O4 -","- C2 Na2 O4 -","- C4 Na4 O8 -","2","0.5","","Armel Le Bail","Rietveld refinement of the structure of Na2C2O4","Personal communication to COD","2017","","","","","","powder diffraction","x-ray","1.54184","CuKα","","","","","","","","","3.6282","","","","","","","","has coordinates","283804","2023-05-16","14:26:40",""
"3500065","14.8349","0.00019","11.71072","0.00016","11.61249","0.00016","90","","90.9883","0.0008","90","","2017.11","0.05","295","","295","","","","","","","","Solid state synthesis","3","P 1 21/c 1","-P 2ybc","14","","","","- Cr O8 Pb5 -","- Cr O8 Pb5 -","- Cr8 O64 Pb40 -","8","2","","Armel Le Bail","Rietveld refinement of the crystal structure of Pb5CrO8 from neutron powder diffraction data","Personal communication to COD","2017","","","","","","powder diffraction","neutron","1.5938","ConstantWavelengthNeutronDiffraction","","","","","","","","","3.8622","","","","","","","","has coordinates","189841","2020-10-21","18:00:00",""
"3500066","4.4651","0.0001","13.7593","0.0004","20.7282","0.0007","90","","90.857","0.001","90","","1273.33","0.06","100","","100","","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","Ethanone, 2-bromo-1-(4-pyrenyl)-","","- C18 H11 Br O -","- C18 H11 Br O -","- C72 H44 Br4 O4 -","4","1","","Thierry Maris","","Personal communication to COD","2017","","","","","","","x-ray","1.34139","GaKα","","0.023","0.0216","","","0.0588","0.06","","","","","","1.086","","","","has coordinates,has Fobs","190349","2020-10-21","18:00:00",""
"3500067","11.8359","0.0004","11.8359","0.0004","11.8492","0.0004","90","","90","","120","","1437.55","0.08","150","","150","","","","","","","","","4","R -3 c","-R 3 2""c","167","","","","- Al Cl3 H12 O6 -","- Al Cl3 H12 O6 -","- Al6 Cl18 H72 O36 -","6","","","Maris, Thierry","","Personal communication to COD","2017","","","","","","","x-ray","1.34139","GaKα","","0.0242","0.024","","","0.0562","0.0563","","","","","","1.263","","","","has coordinates,has Fobs","197160","2020-10-21","18:00:00",""
"3500068","15.0049","0.0006","7.5241","0.0003","13.8287","0.0009","90","","117.323","0.001","90","","1387.06","0.12","100","","100","","","","","","","","","3","C 1 2/c 1","-C 2yc","15","1,2-Benzenedimethanol","","","- C8 H10 O2 -","- C8 H10 O2 -","- C64 H80 O16 -","8","1","","Thierry Maris","","Personal communication to COD","2017","","","","","","","x-ray","1.34139","GaKα","","0.0355","0.0344","","","0.0923","0.0935","","","","","","1.049","","","","has coordinates,has disorder,has Fobs","197524","2020-10-21","18:00:00",""
"3500069","15.1054","0.0008","5.0745","0.0003","10.7172","0.0006","90","","91.721","0.002","90","","821.13","0.08","100","","100","","","","","","","","","5","P 1 2/c 1","-P 2yc","13","","","","- C12 H32 Cl2 N2 O -","- C12 H32 Cl2 N2 O -","- C24 H64 Cl4 N4 O2 -","2","0.5","","Thierry Maris","","Personal communication to COD","2017","","","","","","","x-ray","1.34139","GaKα","","0.0321","0.0297","","","0.0771","0.0792","","","","","","1.058","","","","has coordinates,has Fobs","197525","2020-10-21","18:00:00",""
"3500070","13.1602","0.0007","9.0351","0.0005","11.5554","0.0009","90","","121.185","0.001","90","","1175.44","0.13","100","","100","","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","5-Bromo-2(1H)-pyridone","","- C5 H4 Br N O -","- C5 H4 Br N O -","- C40 H32 Br8 N8 O8 -","8","1","","Thierry Maris","","Personal communication to COD","2017","","","","","","","x-ray","1.34139","GaKα","","0.0375","0.0373","","","0.1057","0.1058","","","","","","1.165","","","","has coordinates,has Fobs","197526","2020-10-21","18:00:00",""
"3500071","7.4485","0.0006","6.1845","0.0005","13.4791","0.0013","90","","95.757","0.003","90","","617.79","0.09","150","","150","","","","","","","","","3","I 1 2/a 1","-I 2ya","15","","","","- C7 H3 N3 -","- C7 H3 N3 -","- C28 H12 N12 -","4","0.5","","Thierry Maris","","Personal communication to COD","2017","","","","","","","x-ray","1.34139","GaKα","","0.0527","0.0509","","","0.1375","0.1412","","","","","","1.085","","","","has coordinates,has Fobs","197527","2020-10-21","18:00:00",""
"3500073","13.379","0.003","13.929","0.003","15.311","0.003","80.61","0.02","71.99","0.02","71.82","0.02","2571","1","130","2","130","2","","","","","","","","5","P -1","-P 1","2","'[Mn(H~2~O)~6~]~2~[SiO~4~(MoO~3~)~12~]^.^11H~2~O","","","- H46 Mn2 Mo12 O63 Si -","- Mn2 Mo12 O63.004 Si -","- Mn4 Mo24 O126.008 Si2 -","2","1","","Olmstead, Marilyn","","Personal communication to COD","2017","","","","","","","","0.71073","MoKα","","0.0857","0.063","","","0.1358","0.1533","","","","","","1.04","","","","has coordinates,has disorder","198602","2020-10-21","18:00:00",""
"4002699","6.341","0.0005","6.341","0.0005","22.3947","0.0018","90","","90","","90","","900.45","0.12","300","2","300","2","","","","","","","","3","I -4 2 d","I -4 2bw","122","","","","- Na2 Sn5 Zn -","- Na2 Sn5 Zn -","- Na8 Sn20 Zn4 -","4","0.25","","Kanno, Masahiro; Yamada, Takahiro; Ikeda, Takuji; Nagai, Hideaki; Yamane, Hisanori","Thermoelectric Properties of Na2ZnSn5 Dimorphs with Na Atoms Disordered in Tunnels","Chemistry of Materials","2017","29","2","859","","10.1021/acs.chemmater.6b04896","","","0.71073","MoKα","","0.0149","0.0131","","","0.0216","0.0219","","","","","","1.192","","","","has coordinates","191332","2020-10-21","18:00:00",""
"4002700","6.355","0.006","3.723","0.003","7.749","0.007","90","","96.919","0.018","90","","182","0.3","296","2","296","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- Gd H2 N O5 -","- Gd H2 N O5 -","- Gd2 H4 N2 O10 -","2","1","","Song, Yunxia; Luo, Min; Lin, Chensheng; Ye, Ning","Structural Modulation of Nitrate Group with Cations to Affect SHG Responses in RE(OH)2NO3 (RE = La, Y, and Gd): New Polar Materials with Large NLO Effect after Adjusting pH Values of Reaction Systems","Chemistry of Materials","2017","","","","","10.1021/acs.chemmater.6b05119","","","0.71073","MoKα","","0.0213","0.0205","","","0.0509","0.0511","","","","","","1.077","","","","has coordinates","190414","2020-10-21","18:00:00",""
"4002701","6.495","0.004","3.967","0.002","7.784","0.005","90","","99.913","0.011","90","","197.6","0.2","296","2","296","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- H2 La N O5 -","- H2 La N O5 -","- H4 La2 N2 O10 -","2","1","","Song, Yunxia; Luo, Min; Lin, Chensheng; Ye, Ning","Structural Modulation of Nitrate Group with Cations to Affect SHG Responses in RE(OH)2NO3 (RE = La, Y, and Gd): New Polar Materials with Large NLO Effect after Adjusting pH Values of Reaction Systems","Chemistry of Materials","2017","","","","","10.1021/acs.chemmater.6b05119","","","0.71073","MoKα","","0.0148","0.0137","","","0.0293","0.0296","","","","","","1.069","","","","has coordinates","190415","2020-10-21","18:00:00",""
"4002702","10.4084","0.0003","10.4084","0.0003","7.2791","0.0002","90","","90","","120","","682.93","0.03","298","2","298","2","","","","","","","","6","P 63 m c","P 6c -2c","186","","","","- Cl Ge4 Na O16 Sr2 V3 -","- Cl Ge4 Na0.9999 O16 Sr2.0001 V3 -","- Cl2 Ge8 Na1.9998 O32 Sr4.0002 V6 -","2","0.166667","","Sanjeewa, Liurukara D.; McGuire, Michael A.; McMillen, Colin D.; Garlea, Vasile O.; Kolis, Joseph W.","Polar Materials with Isolated V4+ S = 1/2 Triangles: NaSr2V3O3(Ge4O13)Cl and KSr2V3O3(Ge4O13)Cl","Chemistry of Materials","2017","29","3","1404","","10.1021/acs.chemmater.6b05320","","","0.71073","MoKα","","0.0365","0.0365","","","0.1042","0.1042","","","","","","1.094","","","","has coordinates","193406","2020-10-21","18:00:00",""
"4002703","10.4679","0.0007","10.4679","0.0007","7.2427","0.0005","90","","90","","120","","687.31","0.08","298","2","298","2","","","","","","","","6","P 63 m c","P 6c -2c","186","","","","- Cl Ge4 K O16 Sr2 V3 -","- Cl Ge4 K0.9999 O16 Sr2.0001 V3 -","- Cl2 Ge8 K1.9998 O32 Sr4.0002 V6 -","2","0.166667","","Sanjeewa, Liurukara D.; McGuire, Michael A.; McMillen, Colin D.; Garlea, Vasile O.; Kolis, Joseph W.","Polar Materials with Isolated V4+ S = 1/2 Triangles: NaSr2V3O3(Ge4O13)Cl and KSr2V3O3(Ge4O13)Cl","Chemistry of Materials","2017","29","3","1404","","10.1021/acs.chemmater.6b05320","","","0.71073","MoKα","","0.038","0.0379","","","0.0846","0.0846","","","","","","1.057","","","","has coordinates","193406","2020-10-21","18:00:00",""
"4002704","10.8797","0.0012","10.8797","0.0012","6.9926","0.0015","90","","90","","120","","716.81","0.19","296","2","296","2","","","","","","","","4","P 63 m c","P 6c -2c","186","","","","- Bi3 F3 I4 O13 -","- Bi3 F3 I4 O13 -","- Bi6 F6 I8 O26 -","2","0.166667","","Zhang, Min; Su, Xin; Mutailipu, Miriding; Yang, Zhihua; Pan, Shilie","Bi3OF3(IO3)4: Metal Oxyiodate Fluoride Featuring a Carbon-Nanotube-like Topological Structure with Large Second Harmonic Generation Response","Chemistry of Materials","2017","29","3","945","","10.1021/acs.chemmater.6b05468","","","0.71073","MoKα","","0.0304","0.029","","","0.0657","0.0664","","","","","","1.042","","","","has coordinates","193409","2020-10-21","18:00:00",""
"4002705","5.5744","0.0002","9.8439","0.0003","6.017","0.0002","90","","97.252","0.001","90","","327.535","0.019","293","2","293","2","","","","","","","","6","C 1 2/m 1","-C 2y","12","","","","- Ca1.88 Li2 Mg2 N6 Si2 Sr0.12 -","- Ca1.8738 Li2 Mg2 N6 Si2 Sr0.1262 -","- Ca3.7476 Li4 Mg4 N12 Si4 Sr0.2524 -","2","0.25","","Strobel, Philipp; Weiler, Volker; Hecht, Cora; Schmidt, Peter J.; Schnick, Wolfgang","Luminescence of the Narrow-Band Red Emitting Nitridomagnesosilicate Li2(Ca1‒xSrx)2[Mg2Si2N6]:Eu2+ (x = 0‒0.06)","Chemistry of Materials","2017","29","3","1377","","10.1021/acs.chemmater.6b05196","","","0.71073","MoKα","","0.0211","0.0181","","","0.0449","0.0467","","","","","","1.152","","","","has coordinates","193407","2020-10-21","18:00:00",""
"4002706","10.518","0.0008","10.518","0.0008","9.5385","0.0012","90","","90","","120","","913.85","0.15","293","2","293","2","","","","","","","","4","R 3 :H","R 3","146","","","","- Cs Ga Se6 Sn2 -","- Cs Ga0.99 Se6 Sn2.01 -","- Cs3 Ga2.97 Se18 Sn6.03 -","3","0.333333","","Lin, Hua; Chen, Ling; Yu, Ju-Song; Chen, Hong; Wu, Li-Ming","Infrared SHG Materials CsM3Se6 (M = Ga/Sn, In/Sn): Phase Matchability Controlled by Dipole Moment of the Asymmetric Building Unit","Chemistry of Materials","2017","29","2","499","","10.1021/acs.chemmater.6b05026","","","0.71073","MoKα","","0.016","0.0153","","","0.0297","0.0298","","","","","","0.961","","","","has coordinates,has disorder","191235","2020-10-21","18:00:00",""
"4002707","10.652","0.0005","10.652","0.0005","9.6882","0.0008","90","","90","","120","","952","0.1","293","2","293","2","","","","","","","","4","R 3 :H","R 3","146","","","","- Cs In Se6 Sn2 -","- Cs In0.99 Se6 Sn2.01 -","- Cs3 In2.97 Se18 Sn6.03 -","3","0.333333","","Lin, Hua; Chen, Ling; Yu, Ju-Song; Chen, Hong; Wu, Li-Ming","Infrared SHG Materials CsM3Se6 (M = Ga/Sn, In/Sn): Phase Matchability Controlled by Dipole Moment of the Asymmetric Building Unit","Chemistry of Materials","2017","29","2","499","","10.1021/acs.chemmater.6b05026","","","0.71073","MoKα","","0.0193","0.0184","","","0.0335","0.0336","","","","","","1.013","","","","has coordinates","191235","2020-10-21","18:00:00",""
"4002708","18.24578","0.00012","23.5847","0.0002","23.608","0.00017","90","","99.6853","0.0007","90","","10014.2","0.13","293.53","0.1","293.53","0.1","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C48 H59 Ag B9 N2 O0.5 P2 -","- C48 H59 Ag B9 N2 O0.5 P2 -","- C384 H472 Ag8 B72 N16 O4 P16 -","8","2","","Shafikov, Marsel Z.; Suleymanova, Alfiya F.; Czerwieniec, Rafał; Yersin, Hartmut","Design Strategy for Ag(I)-Based Thermally Activated Delayed Fluorescence Reaching an Efficiency Breakthrough","Chemistry of Materials","2017","29","4","1708","","10.1021/acs.chemmater.6b05175","","x-ray","1.54184","CuKα","","0.033","0.0298","","","0.083","0.0854","","","","","","1.019","","","","has coordinates","251896","2020-10-21","18:00:00",""
"4002709","5.2878","0.0003","21.1901","0.0012","9.6973","0.0005","90","","90","","90","","1086.57","0.1","293","2","293","2","","","","","","","","4","A m m 2","A 2 -2","38","","","","- Mg4 O21 P6 Rb4 -","- Mg4 O21 P6 Rb4 -","- Mg8 O42 P12 Rb8 -","2","0.25","","Yu, Hongwei; Young, Joshua; Wu, Hongping; Zhang, Weiguo; Rondinelli, James M.; Halasyamani, P. Shiv","M4Mg4(P2O7)3 (M = K, Rb): Structural Engineering of Pyrophosphates for Nonlinear Optical Applications","Chemistry of Materials","2017","29","4","1845","","10.1021/acs.chemmater.7b00167","","","0.71073","MoKα","","0.0179","0.0174","","","0.0398","0.04","","","","","","1.101","","","","has coordinates","193404","2020-10-21","18:00:00",""
"4002710","5.0933","0.0007","5.0933","0.0007","30.557","0.006","90","","90","","120","","686.5","0.19","293","2","293","2","","","","","","","","3","R -3 m :H","-R 3 2""","166","","","","- Cu5 Eu In -","- Cu5 Eu In -","- Cu30 Eu6 In6 -","6","0.166667","","Bigun, Inna; Steinberg, Simon; Smetana, Volodymyr; Mudryk, Yaroslav; Kalychak, Yaroslav; Havela, Ladislav; Pecharsky, Vitalij; Mudring, Anja-Verena","Magnetocaloric Behavior in Ternary Europium Indides EuT5In: Probing the Design Capability of First-Principles-Based Methods on the Multifaceted Magnetic Materials","Chemistry of Materials","2017","","","","","10.1021/acs.chemmater.6b04782","","","0.71073","MoKα","","0.0746","0.0504","","","0.0709","0.0756","","","","","","1.215","","","","has coordinates","192244","2020-10-21","18:00:00",""
"4002711","9.12","0.002","5.6453","0.0014","11.437","0.003","90","","90","","90","","588.8","0.2","296","2","296","2","","","","","","","","3","P n m a","-P 2ac 2n","62","","","","- Ag5 Eu In -","- Ag5 Eu In -","- Ag20 Eu4 In4 -","4","0.5","","Bigun, Inna; Steinberg, Simon; Smetana, Volodymyr; Mudryk, Yaroslav; Kalychak, Yaroslav; Havela, Ladislav; Pecharsky, Vitalij; Mudring, Anja-Verena","Magnetocaloric Behavior in Ternary Europium Indides EuT5In: Probing the Design Capability of First-Principles-Based Methods on the Multifaceted Magnetic Materials","Chemistry of Materials","2017","","","","","10.1021/acs.chemmater.6b04782","","","0.71073","MoKα","","0.0511","0.0363","","","0.0773","0.083","","","","","","1.051","","","","has coordinates","192244","2020-10-21","18:00:00",""
"4002712","7.174","0.0003","7.174","0.0003","5.4425","0.0003","90","","90","","90","","280.11","0.02","293","2","293","2","","","","","","","","3","I 4/m m m","-I 4 2","139","","","","- Au5.01 Eu In0.99 -","- Au5.01 Eu In0.99 -","- Au10.02 Eu2 In1.98 -","2","0.0625","","Bigun, Inna; Steinberg, Simon; Smetana, Volodymyr; Mudryk, Yaroslav; Kalychak, Yaroslav; Havela, Ladislav; Pecharsky, Vitalij; Mudring, Anja-Verena","Magnetocaloric Behavior in Ternary Europium Indides EuT5In: Probing the Design Capability of First-Principles-Based Methods on the Multifaceted Magnetic Materials","Chemistry of Materials","2017","","","","","10.1021/acs.chemmater.6b04782","","","0.71073","MoKα","","0.0265","0.0228","","","0.0395","0.0403","","","","","","1.187","","","","has coordinates","192244","2020-10-21","18:00:00",""
"4002713","18.71","0.005","7.807","0.002","10.452","0.003","90","","90","","90","","1526.7","0.7","293","2","293","2","","","","","","","","5","P 21 21 2","P 2 2ab","18","","","","- C26 H36 Cu2 N12 O9 -","- C26 H36 Cu2 N12 O9 -","- C52 H72 Cu4 N24 O18 -","2","0.5","","Li, Rong; Wang, Shuai-Hua; Chen, Xu-Xing; Lu, Jian; Fu, Zhi-Hua; Li, Yan; Xu, Gang; Zheng, Fa-Kun; Guo, Guo-Cong","Highly Anisotropic and Water Molecule-Dependent Proton Conductivity in a 2D Homochiral Copper(II) Metal‒Organic Framework","Chemistry of Materials","2017","29","5","2321","","10.1021/acs.chemmater.6b05497","","","0.71073","MoKα","","0.0376","0.0347","","","0.0927","0.0973","","","","","","1.047","","","","has coordinates","194777","2020-10-21","18:00:00",""
"4002714","18.7672","0.001","7.6504","0.0004","10.1885","0.0005","90","","90","","90","","1462.83","0.13","293","2","293","2","","","","","","","","5","P 21 21 2","P 2 2ab","18","","","","- C26 H30 Cu2 N12 O6 -","- C26 H30 Cu2 N12 O6 -","- C52 H60 Cu4 N24 O12 -","2","0.5","","Li, Rong; Wang, Shuai-Hua; Chen, Xu-Xing; Lu, Jian; Fu, Zhi-Hua; Li, Yan; Xu, Gang; Zheng, Fa-Kun; Guo, Guo-Cong","Highly Anisotropic and Water Molecule-Dependent Proton Conductivity in a 2D Homochiral Copper(II) Metal‒Organic Framework","Chemistry of Materials","2017","29","5","2321","","10.1021/acs.chemmater.6b05497","","","0.71073","MoKα","","0.0608","0.043","","","0.0822","0.0941","","","","","","1.08","","","","has coordinates","194777","2020-10-21","18:00:00",""
"4002715","8.0919","0.0013","8.0919","0.0013","22.4","0.005","90","","90","","120","","1270.2","0.4","350","1","350","1","","","","","","","","5","R -3 c :H","-R 3 2""c","167","","","","- C4 H10 N2 O6 Zn -","- C4.0002 H10.0008 N2.0001 O6 Zn -","- C24.0012 H60.0048 N12.0006 O36 Zn6 -","6","0.166667","","Mączka, Mirosław; Gągor, Anna; Ptak, Maciej; Paraguassu, Waldeci; da Silva, Tercio Almeida; Sieradzki, Adam; Pikul, Adam","Phase Transitions and Coexistence of Magnetic and Electric Orders in the Methylhydrazinium Metal Formate Frameworks","Chemistry of Materials","2017","29","5","2264","","10.1021/acs.chemmater.6b05249","","x-ray","0.71073","MoKα","","0.0163","0.0144","","","0.0379","0.0386","","","","","","1.031","","","","has coordinates,has disorder","194778","2020-10-21","18:00:00",""
"4002716","8.0764","0.0003","8.0764","0.0003","22.3715","0.001","90","","90","","120","","1263.75","0.09","300","1","300","1","","","","","","","","5","R 3 c :H","R 3 -2""c","161","","","","- C4 H10 N2 O6 Zn -","- C3.9999 H9.9993 N1.9998 O6 Zn -","- C23.9994 H59.9958 N11.9988 O36 Zn6 -","6","0.333333","","Mączka, Mirosław; Gągor, Anna; Ptak, Maciej; Paraguassu, Waldeci; da Silva, Tercio Almeida; Sieradzki, Adam; Pikul, Adam","Phase Transitions and Coexistence of Magnetic and Electric Orders in the Methylhydrazinium Metal Formate Frameworks","Chemistry of Materials","2017","29","5","2264","","10.1021/acs.chemmater.6b05249","","x-ray","0.71073","MoKα","","0.0217","0.0189","","","0.0497","0.0514","","","","","","1.027","","","","has coordinates","194778","2020-10-21","18:00:00",""
"4002717","8.0633","0.0003","8.0633","0.0003","22.2638","0.001","90","","90","","120","","1253.59","0.09","180","1","179.91","0.18","","","","","","","","5","R 3 c :H","R 3 -2""c","161","","","","- C4 H10 N2 O6 Zn -","- C3.9999 H9.9993 N1.9998 O6 Zn -","- C23.9994 H59.9958 N11.9988 O36 Zn6 -","6","0.333333","","Mączka, Mirosław; Gągor, Anna; Ptak, Maciej; Paraguassu, Waldeci; da Silva, Tercio Almeida; Sieradzki, Adam; Pikul, Adam","Phase Transitions and Coexistence of Magnetic and Electric Orders in the Methylhydrazinium Metal Formate Frameworks","Chemistry of Materials","2017","29","5","2264","","10.1021/acs.chemmater.6b05249","","x-ray","0.71073","MoKα","","0.0141","0.0133","","","0.0335","0.0338","","","","","","1.073","","","","has coordinates","194778","2020-10-21","18:00:00",""
"4002718","8.0356","0.0004","8.0356","0.0004","22.7207","0.0016","90","","90","","120","","1270.54","0.13","345","1","345","1","","","","","","","","5","R -3 c :H","-R 3 2""c","167","","","","- C4 H10 Mg N2 O6 -","- C4.0002 H10.0008 Mg N2.0001 O6 -","- C24.0012 H60.0048 Mg6 N12.0006 O36 -","6","0.166667","","Mączka, Mirosław; Gągor, Anna; Ptak, Maciej; Paraguassu, Waldeci; da Silva, Tercio Almeida; Sieradzki, Adam; Pikul, Adam","Phase Transitions and Coexistence of Magnetic and Electric Orders in the Methylhydrazinium Metal Formate Frameworks","Chemistry of Materials","2017","29","5","2264","","10.1021/acs.chemmater.6b05249","","x-ray","0.71073","MoKα","","0.0496","0.0339","","","0.0715","0.0776","","","","","","1.113","","","","has coordinates,has disorder","194778","2020-10-21","18:00:00",""
"4002719","8.0379","0.0003","8.0379","0.0003","22.6907","0.0012","90","","90","","120","","1269.59","0.09","280","1","280","1","","","","","","","","5","R 3 c :H","R 3 -2""c","161","","","","- C4 H10 Mg N2 O6 -","- C3.9999 H9.9993 Mg N1.9998 O6 -","- C23.9994 H59.9958 Mg6 N11.9988 O36 -","6","0.333333","","Mączka, Mirosław; Gągor, Anna; Ptak, Maciej; Paraguassu, Waldeci; da Silva, Tercio Almeida; Sieradzki, Adam; Pikul, Adam","Phase Transitions and Coexistence of Magnetic and Electric Orders in the Methylhydrazinium Metal Formate Frameworks","Chemistry of Materials","2017","29","5","2264","","10.1021/acs.chemmater.6b05249","","x-ray","0.71073","MoKα","","0.0373","0.0287","","","0.0591","0.0627","","","","","","0.981","","","","has coordinates","194778","2020-10-21","18:00:00",""
"4002720","8.0249","0.0004","8.0249","0.0004","22.6361","0.0016","90","","90","","120","","1262.44","0.13","240","1","240","1","","","","","","","","5","R 3 c :H","R 3 -2""c","161","","","","- C4 H10 Mg N2 O6 -","- C3.9999 H9.9993 Mg N1.9998 O6 -","- C23.9994 H59.9958 Mg6 N11.9988 O36 -","6","0.333333","","Mączka, Mirosław; Gągor, Anna; Ptak, Maciej; Paraguassu, Waldeci; da Silva, Tercio Almeida; Sieradzki, Adam; Pikul, Adam","Phase Transitions and Coexistence of Magnetic and Electric Orders in the Methylhydrazinium Metal Formate Frameworks","Chemistry of Materials","2017","29","5","2264","","10.1021/acs.chemmater.6b05249","","x-ray","0.71073","MoKα","","0.0363","0.0278","","","0.0595","0.0633","","","","","","1.011","","","","has coordinates","194778","2020-10-21","18:00:00",""
"4002721","8.198","0.002","8.2","0.002","8.933","0.003","63.28","0.03","63.31","0.03","60.06","0.03","444.8","0.3","100","0.4","100","0.4","","","","","","","","5","P 1","P 1","1","","","","- C8 H20 Mn2 N4 O12 -","- C8 H20 Mn2 N4 O12 -","- C8 H20 Mn2 N4 O12 -","1","1","","Mączka, Mirosław; Gągor, Anna; Ptak, Maciej; Paraguassu, Waldeci; da Silva, Tercio Almeida; Sieradzki, Adam; Pikul, Adam","Phase Transitions and Coexistence of Magnetic and Electric Orders in the Methylhydrazinium Metal Formate Frameworks","Chemistry of Materials","2017","29","5","2264","","10.1021/acs.chemmater.6b05249","","x-ray","0.71073","MoKα","","0.1014","0.0892","","","0.2349","0.2484","","","","","","1.052","","","","has coordinates","194778","2020-10-21","18:00:00",""
"4002722","8.216","0.0003","8.216","0.0003","23.0005","0.001","90","","90","","120","","1344.59","0.09","330","1","330","1","","","","","","","","5","R -3 c :H","-R 3 2""c","167","","","","- C4 H10 Mn N2 O6 -","- C4.0002 H10.0008 Mn N2.0001 O6 -","- C24.0012 H60.0048 Mn6 N12.0006 O36 -","6","0.166667","","Mączka, Mirosław; Gągor, Anna; Ptak, Maciej; Paraguassu, Waldeci; da Silva, Tercio Almeida; Sieradzki, Adam; Pikul, Adam","Phase Transitions and Coexistence of Magnetic and Electric Orders in the Methylhydrazinium Metal Formate Frameworks","Chemistry of Materials","2017","29","5","2264","","10.1021/acs.chemmater.6b05249","","x-ray","0.71073","MoKα","","0.0228","0.0198","","","0.05","0.0512","","","","","","1.191","","","","has coordinates,has disorder","194778","2020-10-21","18:00:00",""
"4002723","8.2117","0.0002","8.2117","0.0002","22.9478","0.0007","90","","90","","120","","1340.1","0.06","290","1","290","1","","","","","","","","5","R 3 c :H","R 3 -2""c","161","","","","- C4 H10 Mn N2 O6 -","- C3.9999 H9.9993 Mn N1.9998 O6 -","- C23.9994 H59.9958 Mn6 N11.9988 O36 -","6","0.333333","","Mączka, Mirosław; Gągor, Anna; Ptak, Maciej; Paraguassu, Waldeci; da Silva, Tercio Almeida; Sieradzki, Adam; Pikul, Adam","Phase Transitions and Coexistence of Magnetic and Electric Orders in the Methylhydrazinium Metal Formate Frameworks","Chemistry of Materials","2017","29","5","2264","","10.1021/acs.chemmater.6b05249","","x-ray","0.71073","MoKα","","0.0189","0.0164","","","0.0454","0.0472","","","","","","0.973","","","","has coordinates","194778","2020-10-21","18:00:00",""
"4002724","8.2091","0.0003","8.2091","0.0003","22.8761","0.0008","90","","90","","120","","1335.07","0.08","230","1","230","1","","","","","","","","5","R 3 c :H","R 3 -2""c","161","","","","- C4 H10 Mn N2 O6 -","- C3.9999 H9.9993 Mn N1.9998 O6 -","- C23.9994 H59.9958 Mn6 N11.9988 O36 -","6","0.333333","","Mączka, Mirosław; Gągor, Anna; Ptak, Maciej; Paraguassu, Waldeci; da Silva, Tercio Almeida; Sieradzki, Adam; Pikul, Adam","Phase Transitions and Coexistence of Magnetic and Electric Orders in the Methylhydrazinium Metal Formate Frameworks","Chemistry of Materials","2017","29","5","2264","","10.1021/acs.chemmater.6b05249","","x-ray","0.71073","MoKα","","0.0176","0.0154","","","0.0386","0.0402","","","","","","0.966","","","","has coordinates","194778","2020-10-21","18:00:00",""
"4002725","8.1338","0.0003","8.1338","0.0003","22.6559","0.0008","90","","90","","120","","1298.07","0.08","330","1","330","1","","","","","","","","5","R -3 c :H","-R 3 2""c","167","","","","- C4 H10 Fe N2 O6 -","- C4.0002 H10.0008 Fe N2.0001 O6 -","- C24.0012 H60.0048 Fe6 N12.0006 O36 -","6","0.166667","","Mączka, Mirosław; Gągor, Anna; Ptak, Maciej; Paraguassu, Waldeci; da Silva, Tercio Almeida; Sieradzki, Adam; Pikul, Adam","Phase Transitions and Coexistence of Magnetic and Electric Orders in the Methylhydrazinium Metal Formate Frameworks","Chemistry of Materials","2017","29","5","2264","","10.1021/acs.chemmater.6b05249","","x-ray","0.71073","MoKα","","0.0244","0.0197","","","0.0499","0.0517","","","","","","1.178","","","","has coordinates,has disorder","194778","2020-10-21","18:00:00",""
"4002726","8.1171","0.0002","8.1171","0.0002","22.5999","0.0007","90","","90","","120","","1289.55","0.06","280","1","280","1","","","","","","","","5","R 3 c :H","R 3 -2""c","161","","","","- C4 H10 Fe N2 O6 -","- C3.9999 H9.9993 Fe N1.9998 O6 -","- C23.9994 H59.9958 Fe6 N11.9988 O36 -","6","0.333333","","Mączka, Mirosław; Gągor, Anna; Ptak, Maciej; Paraguassu, Waldeci; da Silva, Tercio Almeida; Sieradzki, Adam; Pikul, Adam","Phase Transitions and Coexistence of Magnetic and Electric Orders in the Methylhydrazinium Metal Formate Frameworks","Chemistry of Materials","2017","29","5","2264","","10.1021/acs.chemmater.6b05249","","x-ray","0.71073","MoKα","","0.0229","0.0189","","","0.0399","0.0416","","","","","","1.048","","","","has coordinates","194778","2020-10-21","18:00:00",""
"4002727","8.112","0.0002","8.112","0.0002","22.5371","0.0006","90","","90","","120","","1284.35","0.06","200","1","200","1","","","","","","","","5","R 3 c :H","R 3 -2""c","161","","","","- C4 H10 Fe N2 O6 -","- C3.9999 H9.9993 Fe N1.9998 O6 -","- C23.9994 H59.9958 Fe6 N11.9988 O36 -","6","0.333333","","Mączka, Mirosław; Gągor, Anna; Ptak, Maciej; Paraguassu, Waldeci; da Silva, Tercio Almeida; Sieradzki, Adam; Pikul, Adam","Phase Transitions and Coexistence of Magnetic and Electric Orders in the Methylhydrazinium Metal Formate Frameworks","Chemistry of Materials","2017","29","5","2264","","10.1021/acs.chemmater.6b05249","","x-ray","0.71073","MoKα","","0.0207","0.018","","","0.039","0.0401","","","","","","1.019","","","","has coordinates","194778","2020-10-21","18:00:00",""
"4002728","15.8349","0.0011","5.962","0.0004","12.2784","0.0008","90","","111.968","0.007","90","","1075.01","0.14","173","2","173","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C2 F2 Fe Na2 O4 -","- C2 F2 Fe Na2 O4 -","- C16 F16 Fe8 Na16 O32 -","8","1","","Yao, Wenjiao; Sougrati, Moulay-Tahar; Hoang, Khang; Hui, Jianing; Lightfoot, Philip; Armstrong, A. Robert","Na2Fe(C2O4)F2: A New Iron-Based Polyoxyanion Cathode for Li/Na Ion Batteries","Chemistry of Materials","2017","29","5","2167","","10.1021/acs.chemmater.6b04859","","","0.71075","MoKα","","0.0298","0.0217","","","0.0692","0.079","","","","","","0.646","","","","has coordinates","194779","2020-10-21","18:00:00",""
"4002729","14.8082","0.0005","15.8608","0.0005","12.5156","0.0004","90","","90","","90","","2939.54","0.17","293","2","293","2","","","","","","","","4","P c a 21","P 2c -2ac","29","Na2In4SSe6","","","- In8 Na4 S2 Se12 -","- In8 Na4 S2 Se12 -","- In32 Na16 S8 Se48 -","4","1","","Li, Shu-Fang; Jiang, Xiao-Ming; Liu, Bin-Wen; Yan, Dong; Lin, Chen-Sheng; Zeng, Hui-Yi; Guo, Guo-Cong","Superpolyhedron-Built Second Harmonic Generation Materials Exhibit Large Mid-Infrared Conversion Efficiencies and High Laser-Induced Damage Thresholds","Chemistry of Materials","2017","29","4","1796","","10.1021/acs.chemmater.6b05405","","","0.71073","MoKα","","0.0328","0.0316","","","0.0742","0.0747","","","","","","1.078","","","","has coordinates","192854","2020-10-21","18:00:00",""
"4002730","14.1","0.007","14.1","0.007","17.01","0.006","90","","90","","120","","2929","2","293","2","293","2","","","","","","","","4","R 3 2 :H","R 3 2""","155","NaGaIn2Se5","","","- Ga2 In4 Na2 Se10 -","- Ga2.01 In3.99 Na2 Se10 -","- Ga12.06 In23.94 Na12 Se60 -","6","0.333333","","Li, Shu-Fang; Jiang, Xiao-Ming; Liu, Bin-Wen; Yan, Dong; Lin, Chen-Sheng; Zeng, Hui-Yi; Guo, Guo-Cong","Superpolyhedron-Built Second Harmonic Generation Materials Exhibit Large Mid-Infrared Conversion Efficiencies and High Laser-Induced Damage Thresholds","Chemistry of Materials","2017","29","4","1796","","10.1021/acs.chemmater.6b05405","","","0.71073","MoKα","","0.0195","0.0161","","","0.0307","0.0313","","","","","","0.961","","","","has coordinates","192854","2020-10-21","18:00:00",""
"4002731","24.5815","0.0006","24.5815","0.0006","17.4269","0.0008","90","","90","","120","","9119.4","0.5","293","2","293","2","","","","","","","","3","P 32","P 32","145","NaIn3Se5","","","- In3 Na Se5 -","- In3 Na Se5 -","- In108 Na36 Se180 -","36","12","","Li, Shu-Fang; Jiang, Xiao-Ming; Liu, Bin-Wen; Yan, Dong; Lin, Chen-Sheng; Zeng, Hui-Yi; Guo, Guo-Cong","Superpolyhedron-Built Second Harmonic Generation Materials Exhibit Large Mid-Infrared Conversion Efficiencies and High Laser-Induced Damage Thresholds","Chemistry of Materials","2017","29","4","1796","","10.1021/acs.chemmater.6b05405","","","0.71075","MoKα","","0.052","0.0466","","","0.0838","0.0864","","","","","","0.988","","","","has coordinates","192854","2020-10-21","18:00:00",""
"4002732","3.9365","0.0005","3.6131","0.0005","7.5421","0.0009","90","","90","","90","","107.27","0.02","293","2","293","2","","","","","","","","3","P m m n :2","-P 2ab 2a","59","","","titannium nitride","- Ca N2 Ti -","- Ca N2 Ti -","- Ca2 N4 Ti2 -","2","0.25","","Li, Xiaohui; Wang, Xiaoming; Han, Yifeng; Jing, Xiping; Huang, Qingzhen; Kuang, Xiaojun; Gao, Qilong; Chen, Jun; Xing, Xianran","High-Dielectric-Permittivity Layered Nitride CaTiN2","Chemistry of Materials","2017","","","","","10.1021/acs.chemmater.6b05226","","","1.5397","","","","","","","","","","","","","","","","","","has coordinates","192856","2020-10-21","18:00:00",""
"4002733","3.9365","0.0006","3.6137","0.0005","7.543","0.001","90","","90","","90","","107.3","0.03","293","2","293","2","","","","","","","","3","P 21 m n","P -2ab 2ab","31","","","titannium nitride","- Ca N2 Ti -","- Ca N2 Ti -","- Ca2 N4 Ti2 -","2","0.5","","Li, Xiaohui; Wang, Xiaoming; Han, Yifeng; Jing, Xiping; Huang, Qingzhen; Kuang, Xiaojun; Gao, Qilong; Chen, Jun; Xing, Xianran","High-Dielectric-Permittivity Layered Nitride CaTiN2","Chemistry of Materials","2017","","","","","10.1021/acs.chemmater.6b05226","","","1.5397","","","","","","","","","","","","","","","","","","has coordinates","192856","2020-10-21","18:00:00",""
"4002734","8.191","0.0009","5.8764","0.0005","32.111","0.003","90","","92.698","0.003","90","","1543.9","0.3","300","","300","","","","","","","","","3","P 1 21/a 1","-P 2yab","14","","","","- C18 H16 S2 -","- C18 H16 S2 -","- C72 H64 S8 -","4","1","","Minemawari, Hiromi; Tanaka, Mutsuo; Tsuzuki, Seiji; Inoue, Satoru; Yamada, Toshikazu; Kumai, Reiji; Shimoi, Yukihiro; Hasegawa, Tatsuo","Enhanced Layered-Herringbone Packing due to Long Alkyl Chain Substitution in Solution-Processable Organic Semiconductors","Chemistry of Materials","2017","29","3","1245","","10.1021/acs.chemmater.6b04628","","","0.71075","MoKα","","0.1698","0.0478","","","0.0879","0.1185","","","","","","0.871","","","","has coordinates","192857","2020-10-21","18:00:00",""
"4002735","4.6426","0.0006","7.6517","0.0009","13.444","0.002","86.187","0.004","82.177","0.005","84.247","0.005","470.08","0.11","300","","300","","","","","","","","","3","P -1","-P 1","2","","","","- C22 H24 S2 -","- C22 H24 S2 -","- C22 H24 S2 -","1","0.5","","Minemawari, Hiromi; Tanaka, Mutsuo; Tsuzuki, Seiji; Inoue, Satoru; Yamada, Toshikazu; Kumai, Reiji; Shimoi, Yukihiro; Hasegawa, Tatsuo","Enhanced Layered-Herringbone Packing due to Long Alkyl Chain Substitution in Solution-Processable Organic Semiconductors","Chemistry of Materials","2017","29","3","1245","","10.1021/acs.chemmater.6b04628","","","0.71069","MoKα","","0.1661","0.0493","","","0.1147","0.1956","","","","","","0.903","","","","has coordinates","192858","2020-10-21","18:00:00",""
"4002736","4.7594","","8.6807","","13.1142","","89.7304","","80.9378","","77.6887","","522.511","","300","","300","","","","","","","","","3","P -1","-P 1","2","","","","- C24 H28 S2 -","- C24 H28 S2 -","- C24 H28 S2 -","1","0.5","","Minemawari, Hiromi; Tanaka, Mutsuo; Tsuzuki, Seiji; Inoue, Satoru; Yamada, Toshikazu; Kumai, Reiji; Shimoi, Yukihiro; Hasegawa, Tatsuo","Enhanced Layered-Herringbone Packing due to Long Alkyl Chain Substitution in Solution-Processable Organic Semiconductors","Chemistry of Materials","2017","29","3","1245","","10.1021/acs.chemmater.6b04628","","","0.71075","MoKα","","0.054","0.0399","","","0.1146","0.1531","","","","","","1.149","","","","has coordinates","192859","2020-10-21","18:00:00",""
"4002737","7.8271","0.0004","8.3402","0.0004","12.3259","0.0007","90","","108.838","0.0015","90","","761.53","0.07","300","","300","","","","","","","","","3","P 1 21/a 1","-P 2yab","14","","","","- C18 H16 S2 -","- C18 H16 S2 -","- C36 H32 S4 -","2","0.5","","Minemawari, Hiromi; Tanaka, Mutsuo; Tsuzuki, Seiji; Inoue, Satoru; Yamada, Toshikazu; Kumai, Reiji; Shimoi, Yukihiro; Hasegawa, Tatsuo","Enhanced Layered-Herringbone Packing due to Long Alkyl Chain Substitution in Solution-Processable Organic Semiconductors","Chemistry of Materials","2017","29","3","1245","","10.1021/acs.chemmater.6b04628","","","0.7093","MoKα","","0.0835","0.0446","","","0.1225","0.1479","","","","","","1.101","","","","has coordinates","192860","2020-10-21","18:00:00",""
"4002738","5.97616","0.00012","7.9219","0.0002","43.227","0.001","88.0866","0.0011","87.4616","0.001","89.8239","0.0011","2043.33","0.08","300","","300","","","","","","","","","3","P -1","-P 1","2","","","","- C46 H52 S4 -","- C46 H52 S4 -","- C92 H104 S8 -","2","1","","Minemawari, Hiromi; Tanaka, Mutsuo; Tsuzuki, Seiji; Inoue, Satoru; Yamada, Toshikazu; Kumai, Reiji; Shimoi, Yukihiro; Hasegawa, Tatsuo","Enhanced Layered-Herringbone Packing due to Long Alkyl Chain Substitution in Solution-Processable Organic Semiconductors","Chemistry of Materials","2017","29","3","1245","","10.1021/acs.chemmater.6b04628","","","1.54187","CuKα","","0.1179","0.0709","","","0.1532","0.1869","","","","","","0.984","","","","has coordinates","192861","2020-10-21","18:00:00",""
"4002739","4.6827","0.0011","7.453","0.002","12.48","0.004","76.954","0.005","85.196","0.006","84.362","0.005","421.4","0.2","300","","300","","","","","","","","","3","P -1","-P 1","2","","","","- C20 H20 S2 -","- C20 H20 S2 -","- C20 H20 S2 -","1","0.5","","Minemawari, Hiromi; Tanaka, Mutsuo; Tsuzuki, Seiji; Inoue, Satoru; Yamada, Toshikazu; Kumai, Reiji; Shimoi, Yukihiro; Hasegawa, Tatsuo","Enhanced Layered-Herringbone Packing due to Long Alkyl Chain Substitution in Solution-Processable Organic Semiconductors","Chemistry of Materials","2017","29","3","1245","","10.1021/acs.chemmater.6b04628","","","0.71069","MoKα","","0.074","0.0539","","","0.1477","0.1774","","","","","","1.108","","","","has coordinates","192862","2020-10-21","18:00:00",""
"4002740","12.7445","0.0016","13.6694","0.0017","7.1892","0.0009","90","","112.459","0.002","90","","1157.4","0.3","296","2","296","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- Mn1.67 Mo3 Na2.67 O12 -","- Mn1.66 Mo3 Na2.67 O12 -","- Mn6.64 Mo12 Na10.68 O48 -","4","0.5","","Gao, Jianhua; Zhao, Pan; Feng, Kai","Na2.67Mn1.67(MoO4)3: A 3.45 V Alluaudite-Type Cathode Candidate for Sodium-Ion Batteries","Chemistry of Materials","2017","29","3","940","","10.1021/acs.chemmater.6b05308","","","0.71073","MoKα","","0.0213","0.0205","","","0.0543","0.0547","","","","","","1.225","","","","has coordinates","192863","2020-10-21","18:00:00",""
"4002741","11.962","0.006","13.929","0.008","4.427","0.002","90","","90","","90","","737.6","0.7","273","2","273","2","","","","","","","","4","P b a m","-P 2 2ab","55","","","","- Al2 Ca3.6 Sb6 Yb1.4 -","- Al2 Ca3.6 Sb6 Yb1.4 -","- Al4 Ca7.2 Sb12 Yb2.8 -","2","0.25","","Nam, Gnu; Choi, Woongjin; Jo, Hongil; Ok, Kang Min; Ahn, Kyunghan; You, Tae-Soo","Influence of Thermally Activated Solid-State Crystal-to-Crystal Structural Transformation on the Thermoelectric Properties of the Ca5‒xYbxAl2Sb6 (1.0 ≤ x ≤ 5.0) System","Chemistry of Materials","2017","29","3","1384","","10.1021/acs.chemmater.6b05281","","","0.71073","MoKα","","0.0454","0.0321","","","0.0753","0.0825","","","","","","1.134","","","","has coordinates","192864","2020-10-21","18:00:00",""
"4002742","12.0006","0.0003","13.9925","0.0004","4.4457","0.0001","90","","90","","90","","746.51","0.03","296","2","296","2","","","","","","","","4","P b a m","-P 2 2ab","55","","","","- Al2 Ca1.55 Sb6 Yb3.45 -","- Al2 Ca1.553 Sb6 Yb3.447 -","- Al4 Ca3.106 Sb12 Yb6.894 -","2","0.25","","Nam, Gnu; Choi, Woongjin; Jo, Hongil; Ok, Kang Min; Ahn, Kyunghan; You, Tae-Soo","Influence of Thermally Activated Solid-State Crystal-to-Crystal Structural Transformation on the Thermoelectric Properties of the Ca5‒xYbxAl2Sb6 (1.0 ≤ x ≤ 5.0) System","Chemistry of Materials","2017","29","3","1384","","10.1021/acs.chemmater.6b05281","","","0.71073","MoKα","","0.0284","0.0217","","","0.0394","0.0408","","","","","","1.127","","","","has coordinates","192865","2020-10-21","18:00:00",""
"4002743","12.0321","0.0002","14.023","0.0003","4.4532","0.0001","90","","90","","90","","751.37","0.03","296","2","296","2","","","","","","","","4","P b a m","-P 2 2ab","55","","","","- Al2 Ca2.79 Sb6 Yb2.22 -","- Al2 Ca2.784 Sb6 Yb2.216 -","- Al4 Ca5.568 Sb12 Yb4.432 -","2","0.25","","Nam, Gnu; Choi, Woongjin; Jo, Hongil; Ok, Kang Min; Ahn, Kyunghan; You, Tae-Soo","Influence of Thermally Activated Solid-State Crystal-to-Crystal Structural Transformation on the Thermoelectric Properties of the Ca5‒xYbxAl2Sb6 (1.0 ≤ x ≤ 5.0) System","Chemistry of Materials","2017","29","3","1384","","10.1021/acs.chemmater.6b05281","","","0.71073","MoKα","","0.0225","0.0214","","","0.0536","0.0541","","","","","","1.219","","","","has coordinates","192866","2020-10-21","18:00:00",""
"4002744","7.3254","0.0006","22.9041","0.0017","4.4094","0.0004","90","","90","","90","","739.82","0.11","273","2","273","2","","","","","","","","4","P b a m","-P 2 2ab","55","","","","- Al2 Ca1.58 Sb6 Yb3.42 -","- Al2 Ca1.586 Sb6 Yb3.414 -","- Al4 Ca3.172 Sb12 Yb6.828 -","2","0.25","","Nam, Gnu; Choi, Woongjin; Jo, Hongil; Ok, Kang Min; Ahn, Kyunghan; You, Tae-Soo","Influence of Thermally Activated Solid-State Crystal-to-Crystal Structural Transformation on the Thermoelectric Properties of the Ca5‒xYbxAl2Sb6 (1.0 ≤ x ≤ 5.0) System","Chemistry of Materials","2017","29","3","1384","","10.1021/acs.chemmater.6b05281","","","0.71073","MoKα","","0.0327","0.03","","","0.0624","0.0643","","","","","","1.212","","","","has coordinates","192867","2020-10-21","18:00:00",""
"4002745","9.9762","0.0009","7.8431","0.0008","28.56","0.003","90","","90.04","0.003","90","","2234.7","0.4","173","2","173","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C31 H19 N O2 S -","- C31 H19 N O2 S -","- C124 H76 N4 O8 S4 -","4","1","","Guo, Jingjing; Li, Xiang-Long; Nie, Han; Luo, Wenwen; Hu, Rongrong; Qin, Anjun; Zhao, Zujin; Su, Shi-Jian; Tang, Ben Zhong","Robust Luminescent Materials with Prominent Aggregation-Induced Emission and Thermally Activated Delayed Fluorescence for High-Performance Organic Light-Emitting Diodes","Chemistry of Materials","2017","","","","","10.1021/acs.chemmater.7b00450","","","0.71073","MoKα","","0.1002","0.0532","","","0.1143","0.1322","","","","","","1.038","","","","has coordinates","195419","2020-10-21","18:00:00",""
"4002746","11.1152","0.0003","11.2048","0.0003","17.5909","0.0005","99.173","0.001","104.525","0.001","90.003","0.001","2091.85","0.1","273","2","273","2","","","","","","","","5","P -1","-P 1","2","","","","- C32 H48 Cl8 N4 Pb2 -","- C32 H48 Cl8 N4 Pb2 -","- C64 H96 Cl16 N8 Pb4 -","2","1","","Thirumal, Krishnamoorthy; Chong, Wee Kiang; Xie, Wei; Ganguly, Rakesh; Muduli, Subas Kumar; Sherburne, Matthew; Asta, Mark; Mhaisalkar, Subodh; Sum, Tze Chien; Soo, Han Sen; Mathews, Nripan","Morphology-Independent Stable White-Light Emission from Self-Assembled Two-Dimensional Perovskites Driven by Strong Exciton‒Phonon Coupling to the Organic Framework","Chemistry of Materials","2017","","","","","10.1021/acs.chemmater.7b00073","","","0.71073","MoKα","","0.0684","0.0625","","","0.1628","0.1705","","","","","","1.081","","","","has coordinates,has disorder","195754","2020-10-21","18:00:00",""
"4002747","16.384","0.003","28.376","0.006","13.079","0.003","90","","95.57","0.03","90","","6052","2","173","2","173","2","","","","","","","","5","C 1 m 1","C -2y","8","","","","- C57 H36 N12 Ni3 O18 -","- C57 H33 N12 Ni3 O18 -","- C114 H66 N24 Ni6 O36 -","2","0.5","","Jeong, Seok; Kim, Dongwook; Park, Jeongin; Shin, Sunyoung; Kim, Hyehyun; Jeong, Gyoung Hwa; Moon, Dohyun; Moon, Hoi Ri; Lah, Myoung Soo","Topology Conversions of Non-Interpenetrated Metal‒Organic Frameworks to Doubly Interpenetrated Metal‒Organic Frameworks","Chemistry of Materials","2017","29","9","3899","","10.1021/acs.chemmater.6b05277","","","0.71073","MoKα","","0.2243","0.1322","","","0.313","0.3923","","","","","","1.016","","","","has coordinates","197392","2020-10-21","18:00:00",""
"4002748","16.657","0.002","16.657","0.002","13.173","0.003","90","","90","","120","","3165.3","0.9","100","2","100","2","","","","","","","","5","P -3","-P 3","147","","","","- C19 H12 N4 Ni O6 -","- C19 H11 N4 Ni O6 -","- C114 H66 N24 Ni6 O36 -","6","1","","Jeong, Seok; Kim, Dongwook; Park, Jeongin; Shin, Sunyoung; Kim, Hyehyun; Jeong, Gyoung Hwa; Moon, Dohyun; Moon, Hoi Ri; Lah, Myoung Soo","Topology Conversions of Non-Interpenetrated Metal‒Organic Frameworks to Doubly Interpenetrated Metal‒Organic Frameworks","Chemistry of Materials","2017","29","9","3899","","10.1021/acs.chemmater.6b05277","","","0.67","synchrotron","","0.1898","0.1364","","","0.3774","0.4123","","","","","","1.422","","","","has coordinates,has disorder","197392","2020-10-21","18:00:00",""
"4002749","14.59","0.003","8.1879","0.0016","20.584","0.004","90","","90.36","0.03","90","","2458.9","0.8","293","","293","","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","","","- I9 Rb3 Sb2 -","- I9 Rb3 Sb2 -","- I36 Rb12 Sb8 -","4","1","","McCall, Kyle M.; Stoumpos, Constantinos C.; Kostina, Svetlana S.; Kanatzidis, Mercouri G.; Wessels, Bruce W.","Strong Electron‒Phonon Coupling and Self-Trapped Excitons in the Defect Halide Perovskites A3M2I9 (A = Cs, Rb; M = Bi, Sb)","Chemistry of Materials","2017","","","","","10.1021/acs.chemmater.7b01184","","","0.71073","MoKα","","0.1206","0.081","","","0.17","0.1889","","","","","","1.172","","","","has coordinates","195808","2020-10-21","18:00:00",""
"4002750","12.104","0.004","8.399","0.002","14.421","0.004","90","","90.288","0.005","90","","1466","0.7","125","2","125","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C48 H16 F8 -","- C48 H16 F8 -","- C96 H32 F16 -","2","0.5","","Hiszpanski, Anna M.; Woll, Arthur R.; Kim, Bumjung; Nuckolls, Colin; Loo, Yueh-Lin","Altering the Polymorphic Accessibility of Polycyclic Aromatic Hydrocarbons with Fluorination","Chemistry of Materials","2017","","","","","10.1021/acs.chemmater.7b00627","","","0.71073","MoKα","","0.0698","0.0491","","","0.1188","0.1367","","","","","","1.053","","","","has coordinates","195926","2020-10-21","18:00:00",""
"4002751","9.602","0.004","10.452","0.004","11.076","0.005","93.925","0.005","109.054","0.005","97.992","0.006","1032.8","0.7","173.15","","173.15","","","","","","","","","2","P -1","-P 1","2","","","","- C32 H22 -","- C32 H22 -","- C64 H44 -","2","1","","Ju, Huajun; Wang, Kang; Zhang, Jing; Geng, Hua; Liu, Zitong; Zhang, Guanxin; Zhao, Yongsheng; Zhang, Deqing","1,6- and 2,7-trans-β-Styryl Substituted Pyrenes Exhibiting Both Emissive and Semiconducting Properties in the Solid State","Chemistry of Materials","2017","29","8","3580","","10.1021/acs.chemmater.7b00056","","","0.71073","MoKα","","0.0665","0.0568","","","0.1366","0.1437","","","","","","1.096","","","","has coordinates","195935","2020-10-21","18:00:00",""
"4002752","8.6082","0.0001","16.554","0.0003","17.9068","0.0003","90","","90","","90","","2551.72","0.07","100","2","100","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","dipropylammonium trichloroacetate","","","- C8 H16 Cl3 N O2 -","- C8 H16 Cl3 N O2 -","- C64 H128 Cl24 N8 O16 -","8","2","","Ji, Chengmin; Wang, Sasa; Liu, Sijie; Sun, Zhihua; Zhang, Jing; Li, Lina; Luo, Junhua","Exceptional Three-Level Switching Behaviors of Quadratic Nonlinear Optical Properties in a Tristable Molecule-Based Dielectric","Chemistry of Materials","2017","29","7","3251","","10.1021/acs.chemmater.7b00524","","","1.54184","CuKα","","0.047","0.0449","","","0.1179","0.1206","","","","","","1.039","","","","has coordinates","195936","2020-10-21","18:00:00",""
"4002753","17.9259","0.0007","8.5845","0.0002","17.7048","0.0006","90","","90","","90","","2724.5","0.15","240","2","240","2","","","","","","","","5","P n m a","-P 2ac 2n","62","dipropylammonium trichloroacetate","","","- C8 H16 Cl3 N O2 -","- C8 H16 Cl3 N O2 -","- C64 H128 Cl24 N8 O16 -","8","1","","Ji, Chengmin; Wang, Sasa; Liu, Sijie; Sun, Zhihua; Zhang, Jing; Li, Lina; Luo, Junhua","Exceptional Three-Level Switching Behaviors of Quadratic Nonlinear Optical Properties in a Tristable Molecule-Based Dielectric","Chemistry of Materials","2017","29","7","3251","","10.1021/acs.chemmater.7b00524","","","0.71073","MoKα","","0.1482","0.1036","","","0.3228","0.367","","","","","","1.081","","","","has coordinates,has disorder","195937","2020-10-21","18:00:00",""
"4002754","5.3533","0.0002","8.4519","0.0003","20.8245","0.0007","99.5419","0.0015","90.1363","0.0015","94.5565","0.0015","926.13","0.06","100","","100","","","","","","","","","5","P -1","-P 1","2","","","","- C38 H56 N2 O6 S2 -","- C38 H56 N2 O6 S2 -","- C38 H56 N2 O6 S2 -","1","0.5","","Fu, Chaoying; Beldon, Patrick J.; Perepichka, Dmitrii F.","H-Bonding Control of Supramolecular Ordering of Diketopyrrolopyrroles","Chemistry of Materials","2017","29","7","2979","","10.1021/acs.chemmater.6b05327","","x-ray","1.34139","GaKα","","0.037","0.0349","","","0.0901","0.0919","","","","","","1.054","","","","has coordinates,has disorder","195938","2020-10-21","18:00:00",""
"4002755","5.2636","0.0002","8.2569","0.0003","18.3521","0.0006","78.975","0.0015","85.35","0.0016","85.965","0.0016","779.08","0.05","100","","100","","","","","","","","","4","P -1","-P 1","2","","","","- C32 H44 N2 O8 -","- C32 H44 N2 O8 -","- C32 H44 N2 O8 -","1","0.5","","Fu, Chaoying; Beldon, Patrick J.; Perepichka, Dmitrii F.","H-Bonding Control of Supramolecular Ordering of Diketopyrrolopyrroles","Chemistry of Materials","2017","29","7","2979","","10.1021/acs.chemmater.6b05327","","x-ray","1.34139","GaKα","","0.1048","0.0799","","","0.2165","0.2435","","","","","","1.055","","","","has coordinates","195939","2020-10-21","18:00:00",""
"4002756","3.23914","0.00007","6.2347","0.00016","9.4884","0.0003","104.736","0.0013","90.6239","0.0013","91.943","0.003","185.172","0.009","300","","300","","","","","","","","","4","P -1","-P 1","2","","Mg2_3Mn4_3B2O5","","- B2 Mg0.66 Mn1.33 O5 -","- B2 Mg0.666 Mn1.334 O5 -","- B4 Mg1.332 Mn2.668 O10 -","2","1","","Glass, Hugh F. J.; Liu, Zigeng; Bayley, Paul M.; Suard, Emmanuelle; Bo, Shou-Hang; Khalifah, Peter G.; Grey, Clare P.; Dutton, Siân E.","MgxMn2‒xB2O5 Pyroborates (2/3 ≤ x ≤ 4/3): High Capacity and High Rate Cathodes for Li-Ion Batteries","Chemistry of Materials","2017","29","7","3118","","10.1021/acs.chemmater.7b00177","powder diffraction","","1.5418","CuKα","","","","","","","","","4.4511","1.337","","","","","","","has coordinates","195940","2020-10-21","18:00:00",""
"4002757","3.18809","0.00007","6.2021","0.00012","9.36747","0.0002","104.556","0.0015","90.5538","0.0015","92.0289","0.0014","179.131","0.007","300","","300","","","","","","","","","4","P -1","-P 1","2","","","","- B2 Mg1.33 Mn0.66 O5 -","- B2.00002 Mg1.333 Mn0.667 O5.00005 -","- B4.00004 Mg2.666 Mn1.334 O10.0001 -","2","1","","Glass, Hugh F. J.; Liu, Zigeng; Bayley, Paul M.; Suard, Emmanuelle; Bo, Shou-Hang; Khalifah, Peter G.; Grey, Clare P.; Dutton, Siân E.","MgxMn2‒xB2O5 Pyroborates (2/3 ≤ x ≤ 4/3): High Capacity and High Rate Cathodes for Li-Ion Batteries","Chemistry of Materials","2017","29","7","3118","","10.1021/acs.chemmater.7b00177","powder diffraction","","1.59669","ConstantWavelengthNeutronDiffraction","","","","","","","","","3.2207","2.75","","","","","","","has coordinates","195940","2020-10-21","18:00:00",""
"4002758","3.20758","0.00009","6.2134","0.0002","9.4127","0.0004","104.623","0.002","90.511","0.002","92.012","0.003","181.376","0.011","300","","300","","","","","","","","","4","P -1","-P 1","2","","","","- B2 Mg Mn O5 -","- B2 Mg Mn O5 -","- B4 Mg2 Mn2 O10 -","2","1","","Glass, Hugh F. J.; Liu, Zigeng; Bayley, Paul M.; Suard, Emmanuelle; Bo, Shou-Hang; Khalifah, Peter G.; Grey, Clare P.; Dutton, Siân E.","MgxMn2‒xB2O5 Pyroborates (2/3 ≤ x ≤ 4/3): High Capacity and High Rate Cathodes for Li-Ion Batteries","Chemistry of Materials","2017","29","7","3118","","10.1021/acs.chemmater.7b00177","powder diffraction","","1.59619","ConstantWavelengthNeutronDiffraction","","","","","","","","","16.6247","1.82","","","","","","","has coordinates","195940","2020-10-21","18:00:00",""
"4002759","5.1503","0.0001","5.1503","0.0001","13.8069","0.0006","90","","90","","120","","317.17","0.016","296","2","296","2","","","","","","","","3","P -3 1 c","-P 3 2c","163","","","","- Ba Fe4 O7 -","- Ba Fe4 O7 -","- Ba2 Fe8 O14 -","2","0.166667","","Ferreira, Timothy; Morrison, Gregory; Chance, W. Michael; Calder, Stuart; Smith, Mark D.; zur Loye, Hans-Conrad","BaFe4O7 and K0.22Ba0.89Fe4O7: Canted Antiferromagnetic Diferrites with Exceptionally High Magnetic Ordering Temperatures","Chemistry of Materials","2017","29","7","2689","","10.1021/acs.chemmater.7b00580","","","0.71073","MoKα","","0.025","0.0189","","","0.045","0.048","","","","","","1.133","","","","has coordinates","195941","2020-10-21","18:00:00",""
"4002760","16.281","0.003","18.231","0.004","20.595","0.004","90","","92.011","0.003","90","","6109","2","80","2","80","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C146 H170 N8 S4 Si2 -","- C146 H170 N8 S4 Si2 -","- C292 H340 N16 S8 Si4 -","2","0.5","","Gu, Pei-Yang; Wang, Zongrui; Liu, Guangfeng; Yao, Huiying; Wang, Zilong; Li, Yang; Zhu, Jia; Li, Shuzhou; Zhang, Qichun","Synthesis, Full Characterization, and Field Effect Transistor Behavior of a Stable Pyrene-Fused N-Heteroacene with Twelve Linearly Annulated Six-Membered Rings","Chemistry of Materials","2017","","","","","10.1021/acs.chemmater.7b01318","","","0.71073","MoKα","","0.1883","0.1381","","","0.3882","0.433","","","","","","1.721","","","","has coordinates,has disorder","196190","2020-10-21","18:00:00",""
"4002761","9.07499","0.00008","12.91082","0.00012","5.48835","0.00004","90","","91.9854","0.0005","90","","642.66","0.009","300","","300","","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","Na2Fe2Si2O7","- Fe2 Na2 O7 Si2 -","- Fe2 Na2 O7 Si2 -","- Fe8 Na8 O28 Si8 -","4","1","","Panigrahi, Abhishek; Nishimura, Shin-ichi; Shimada, Tatau; Watanabe, Eriko; Zhao, Wenwen; Oyama, Gosuke; Yamada, Atsuo","Sodium Iron(II) Pyrosilicate Na2Fe2Si2O7: A Potential Cathode Material in the Na2O-FeO-SiO2 System","Chemistry of Materials","2017","","","","","10.1021/acs.chemmater.7b00764","powder diffraction","","1.19566","synchrotron","","","","","","","","","1.93","1.65","","","","","","","has coordinates","196649","2020-10-21","18:00:00",""
"4002817","5.188995","0.000016","4.230802","0.000012","7.86657","0.00002","90","","90","","90","","172.7","0.0008","100","","100","","","","","","","","","2","P m m a","-P 2a 2a","51","","","CuBi","- Bi Cu -","- Bi Cu -","- Bi4 Cu4 -","4","0.5","","Clarke, Samantha M.; Amsler, Maximilian; Walsh, James P. S.; Yu, Tony; Wang, Yanbin; Meng, Yue; Jacobsen, Steven D.; Wolverton, Chris; Freedman, Danna E.","Creating Binary Cu‒Bi Compounds via High-Pressure Synthesis: A Combined Experimental and Theoretical Study","Chemistry of Materials","2017","29","12","5276","","10.1021/acs.chemmater.7b01418","powder diffraction","","0.414204","","","1.107","","","","","","","","1.15","","","","","","","has coordinates","198416","2020-10-21","18:00:00",""
"4002818","39.1","0.008","16.748","0.003","16.501","0.003","90","","90.01","0.03","90","","10806","4","100","2","100","2","","","","","","","","4","P 21/m 1 1","-P 2xa","11","","","","- C120 H120 N80 O69 -","- C120 H120 N80 O69 -","- C240 H240 N160 O138 -","2","0.5","","Yao, Yu-Qing; Zhang, Ying-Jie; Huang, Chao; Zhu, Qian-Jiang; Tao, Zhu; Ni, Xin-Long; Wei, Gang","Cucurbit[10]uril-Based Smart Supramolecular Organic Frameworks in Selective Isolation of Metal Cations","Chemistry of Materials","2017","29","13","5468","","10.1021/acs.chemmater.7b01751","","","0.7108","silicondoublecrystalmonochromatedsynchrotron","","0.1434","0.1357","","","0.3568","0.3649","","","","","","1.082","","","","has coordinates,has disorder","199569","2020-10-21","18:00:00",""
"4002819","20.918","0.004","21.165","0.004","23.176","0.005","71.16","0.03","67.42","0.03","75.08","0.03","8861","4","100","2","100","2","","","","","","","","6","P -1","-P 1","2","","","","- C90 H98 Ba2 Cl4 N60 O40.5 -","- C90 H98 Ba2 Cl4 N60 O40.5 -","- C180 H196 Ba4 Cl8 N120 O81 -","2","1","","Yao, Yu-Qing; Zhang, Ying-Jie; Huang, Chao; Zhu, Qian-Jiang; Tao, Zhu; Ni, Xin-Long; Wei, Gang","Cucurbit[10]uril-Based Smart Supramolecular Organic Frameworks in Selective Isolation of Metal Cations","Chemistry of Materials","2017","29","13","5468","","10.1021/acs.chemmater.7b01751","","","0.71081","silicondoublecrystalmonochromatedsynchrotron","","0.1981","0.1638","","","0.424","0.4507","","","","","","1.158","","","","has coordinates,has disorder","199569","2020-10-21","18:00:00",""
"4002820","21.596","0.004","22.162","0.004","22.803","0.005","63.31","0.03","85.66","0.03","63.71","0.03","8638","5","100","2","100","2","","","","","","","","6","P -1","-P 1","2","","","","- C90 H110.5 Cl4.05 Gd2 N60 O45.25 -","- C90 H110.5 Cl4.05 Gd2 N60 O45.25 -","- C180 H221 Cl8.1 Gd4 N120 O90.5 -","2","1","","Yao, Yu-Qing; Zhang, Ying-Jie; Huang, Chao; Zhu, Qian-Jiang; Tao, Zhu; Ni, Xin-Long; Wei, Gang","Cucurbit[10]uril-Based Smart Supramolecular Organic Frameworks in Selective Isolation of Metal Cations","Chemistry of Materials","2017","29","13","5468","","10.1021/acs.chemmater.7b01751","","","0.7108","silicondoublecrystalmonochromatedsynchrotron","","0.0935","0.0829","","","0.245","0.2552","","","","","","1.033","","","","has coordinates","199569","2020-10-21","18:00:00",""
"4002821","9.4725","0.0005","9.9447","0.0005","21.4361","0.0011","91.872","0.001","92.148","0.001","95.903","0.001","2005.83","0.18","150","2","150","2","","","","","","","","6","P -1","-P 1","2","BiI5","","","- C16 H40 Bi2 I10 N4 O0 -","- C16 H40 Bi2 I10 N4 -","- C32 H80 Bi4 I20 N8 -","2","1","","Li, Mu-Qing; Hu, Yue-Qiao; Bi, Le-Yu; Zhang, Hao-Lan; Wang, Yanyan; Zheng, Yan-Zhen","Structure Tunable Organic‒Inorganic Bismuth Halides for an Enhanced Two-Dimensional Lead-Free Light-Harvesting Material","Chemistry of Materials","2017","29","13","5463","","10.1021/acs.chemmater.7b01017","","","0.71073","MoKα","","0.0207","0.0192","","","0.0417","0.0424","","","","","","1.056","","","","has coordinates","200653","2020-10-21","18:00:00",""
"4002822","19.724","0.014","11.129","0.008","16.62","0.012","90","","107.465","0.008","90","","3480","4","150","2","150","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","BiBr5","","","- C8 H20 Bi Br5 N2 O0 -","- C8 H20 Bi Br5 N2 -","- C64 H160 Bi8 Br40 N16 -","8","1","","Li, Mu-Qing; Hu, Yue-Qiao; Bi, Le-Yu; Zhang, Hao-Lan; Wang, Yanyan; Zheng, Yan-Zhen","Structure Tunable Organic‒Inorganic Bismuth Halides for an Enhanced Two-Dimensional Lead-Free Light-Harvesting Material","Chemistry of Materials","2017","29","13","5463","","10.1021/acs.chemmater.7b01017","","","0.71073","MoKα","","0.0591","0.0495","","","0.1354","0.1416","","","","","","1.017","","","","has coordinates","200653","2020-10-21","18:00:00",""
"4002823","19.0664","0.0007","10.6827","0.0004","16.0947","0.0005","90","","108.666","0.002","90","","3105.75","0.19","150","2","150","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","BiCl5","","","- C8 H20 Bi Cl5 N2 O0 -","- C8 H20 Bi Cl5 N2 -","- C64 H160 Bi8 Cl40 N16 -","8","1","","Li, Mu-Qing; Hu, Yue-Qiao; Bi, Le-Yu; Zhang, Hao-Lan; Wang, Yanyan; Zheng, Yan-Zhen","Structure Tunable Organic‒Inorganic Bismuth Halides for an Enhanced Two-Dimensional Lead-Free Light-Harvesting Material","Chemistry of Materials","2017","29","13","5463","","10.1021/acs.chemmater.7b01017","","","0.71073","MoKα","","0.02","0.0191","","","0.0445","0.045","","","","","","1.06","","","","has coordinates","200653","2020-10-21","18:00:00",""
"4002824","18.086","0.006","9.287","0.003","20.238","0.007","90","","112.631","0.004","90","","3137.5","1.8","150","2","150","2","","","","","","","","7","P 1 21/n 1","-P 2yn","14","Bi2I7Cl2","","","- C12 H30 Bi2 Cl2 I7 N3 O0 -","- C12 H30 Bi2 Cl2 I7 N3 -","- C48 H120 Bi8 Cl8 I28 N12 -","4","1","","Li, Mu-Qing; Hu, Yue-Qiao; Bi, Le-Yu; Zhang, Hao-Lan; Wang, Yanyan; Zheng, Yan-Zhen","Structure Tunable Organic‒Inorganic Bismuth Halides for an Enhanced Two-Dimensional Lead-Free Light-Harvesting Material","Chemistry of Materials","2017","29","13","5463","","10.1021/acs.chemmater.7b01017","","","0.71073","MoKα","","0.0447","0.0419","","","0.1244","0.1267","","","","","","1.023","","","","has coordinates","200653","2020-10-21","18:00:00",""
"4002825","15.122","0.002","15.122","0.002","74.834","0.015","90","","90","","120","","14820","4","293","2","293","2","","","","","","","","2","R -3 :H","-R 3","148","Zn3Sb2","","","- Sb2 Zn2.91 -","- Sb2 Zn2.91253 -","- Sb252 Zn366.979 -","126","7","","Lo, Chun-Wan Timothy; Ortiz, Brenden R.; Toberer, Eric S.; He, Allan; Svitlyk, Volodymyr; Chernyshov, Dmitry; Kolodiazhnyi, Taras; Lidin, Sven; Mozharivskyj, Yurij","Synthesis, Structure, and Thermoelectric Properties of α-Zn3Sb2 and Comparison to β-Zn13Sb10","Chemistry of Materials","2017","29","12","5249","","10.1021/acs.chemmater.7b01214","","","0.71073","MoKα","","0.1671","0.0891","","","0.1457","0.1812","","","","","","1.134","","","","has coordinates","198354","2020-10-21","18:00:00",""
"4002826","9.7723","0.0004","9.7723","0.0004","27.006","0.002","90","","90","","120","","2233.5","0.2","293","2","293","2","","","","","","","","4","R 3 :H","R 3","146","","","","- Ba6 Ga2 S16 Zn7 -","- Ba6 Ga2 S16 Zn6.99 -","- Ba18 Ga6 S48 Zn20.97 -","3","0.333333","","Li, Yan-Yan; Liu, Peng-Fei; Wu, Li-Ming","Ba6Zn7Ga2S16: A Wide Band Gap Sulfide with Phase-Matchable Infrared NLO Properties","Chemistry of Materials","2017","29","12","5259","","10.1021/acs.chemmater.7b01321","","","0.71073","MoKα","","0.0253","0.0231","","","0.0424","0.0446","","","","","","0.968","","","","has coordinates","198355","2020-10-21","18:00:00",""
"4002828","15.417","0.003","4.0742","0.0008","8.319","0.0017","90","","112.94","0.03","90","","481.2","0.2","293","2","293","2","","","","","","","","3","C 1 2/m 1","-C 2y","12","Potassium_Copper_Selenide","","","- Cu3 K Se2 -","- Cu3 K Se2 -","- Cu12 K4 Se8 -","4","0.5","","Rettie, Alexander J. E.; Sturza, Mihai; Malliakas, Christos D.; Botana, Antia S.; Chung, Duck Young; Kanatzidis, Mercouri G.","Copper Vacancies and Heavy Holes in the Two-Dimensional Semiconductor KCu3‒xSe2","Chemistry of Materials","2017","","","","","10.1021/acs.chemmater.7b02117","","","0.71073","MoKα","","0.0538","0.0382","","","0.0934","0.097","","","","","","0.951","","","","has coordinates","198648","2020-10-21","18:00:00",""
"4002829","5.108967","0.000085","5.108967","0.000085","12.48752","0.00029","90","","90","","120","","282.275","0.009","300","","300","","","","","","","","","4","P 32","P 32","145","","","","- Al3 Na3 O12 Si3 -","- Al3 Na3 O12 Si3 -","- Al3 Na3 O12 Si3 -","1","0.333333","","Zhao, Ming; Xia, Zhiguo; Molokeev, Maxim S.; Ning, Lixin; Liu, Quanlin","Temperature and Eu2±Doping Induced Phase Selection in NaAlSiO4 Polymorphs and the Controlled Yellow/Blue Emission","Chemistry of Materials","2017","29","15","6552","","10.1021/acs.chemmater.7b02548","powder diffraction","x-ray","1.5406","CuKα~1~~2~","","","","","","","","","1.94","1.548","","","","","","","has coordinates","205493","2020-10-21","18:00:00",""
"4002830","5.1532","0.0002","5.1532","0.0002","13.8134","0.0006","90","","90","","120","","317.68","0.02","300","2","300","2","","","","","","","","4","P -3 1 c","-P 3 2c","163","","","","- Ba0.89 Fe4 K0.21 O7 -","- Ba0.89 Fe4 K0.212 O7 -","- Ba1.78 Fe8 K0.424 O14 -","2","0.166667","","Ferreira, Timothy; Morrison, Gregory; Chance, W. Michael; Calder, Stuart; Smith, Mark D.; zur Loye, Hans-Conrad","BaFe4O7 and K0.22Ba0.89Fe4O7: Canted Antiferromagnetic Diferrites with Exceptionally High Magnetic Ordering Temperatures","Chemistry of Materials","2017","29","7","2689","","10.1021/acs.chemmater.7b00580","","","0.71073","MoKα","","0.0206","0.0174","","","0.0399","0.0409","","","","","","1.393","","","","has coordinates","199570","2020-10-21","18:00:00",""
"4002831","15.612","0.002","15.612","0.002","4.0168","0.0006","90","","90","","120","","847.9","0.2","295","2","295","2","","","","","","","","3","P 3","P 3","143","","","","- Bi13 I2 S18 -","- Bi13 I2 S18 -","- Bi13 I2 S18 -","1","0.333333","","Groom, Ryan; Jacobs, Allison; Cepeda, Marisa; Drummey, Rachel; Latturner, Susan E.","Bi13S18I2: (Re)discovery of a Subvalent Bismuth Compound Featuring [Bi2]4+ Dimers Grown in Sulfur/Iodine Flux Mixtures","Chemistry of Materials","2017","","","","","10.1021/acs.chemmater.7b00702","","","0.71073","MoKα","","0.0217","0.0196","","","0.0427","0.0434","","","","","","1.077","","","","has coordinates","198938","2020-10-21","18:00:00",""
"4002832","15.612","0.002","15.612","0.002","4.0168","0.0006","90","","90","","120","","847.9","0.2","298","2","298","2","","","","","","","","3","P 63","P 6c","173","","","","- Bi12.67 I2 S18 -","- Bi12.9516 I2 S18 -","- Bi12.9516 I2 S18 -","1","0.166667","","Groom, Ryan; Jacobs, Allison; Cepeda, Marisa; Drummey, Rachel; Latturner, Susan E.","Bi13S18I2: (Re)discovery of a Subvalent Bismuth Compound Featuring [Bi2]4+ Dimers Grown in Sulfur/Iodine Flux Mixtures","Chemistry of Materials","2017","","","","","10.1021/acs.chemmater.7b00702","","","0.71073","MoKα","","0.0178","0.0166","","","0.0356","0.0359","","","","","","1.134","","","","has coordinates","198938","2020-10-21","18:00:00",""
"4002833","20.852","0.004","21.303","0.004","22.769","0.005","71.45","0.03","66.73","0.03","74.75","0.03","8699","4","100","2","100","2","","","","","","","","6","P -1","-P 1","2","","","","- C90 H104 Ce2 Cl4 N60 O57.5 -","- C90 H104 Ce2 Cl4 N60 O57.5 -","- C180 H208 Ce4 Cl8 N120 O115 -","2","1","","Yao, Yu-Qing; Zhang, Ying-Jie; Huang, Chao; Zhu, Qian-Jiang; Tao, Zhu; Ni, Xin-Long; Wei, Gang","Cucurbit[10]uril-Based Smart Supramolecular Organic Frameworks in Selective Isolation of Metal Cations","Chemistry of Materials","2017","29","13","5468","","10.1021/acs.chemmater.7b01751","","","0.7108","silicondoublecrystalmonochromatedsynchrotron","","0.0975","0.079","","","0.2363","0.2519","","","","","","1.05","","","","has coordinates","199514","2020-10-21","18:00:00",""
"4002834","7.332028","0.000092","7.332028","0.000092","7.332028","0.000092","90","","90","","90","","394.16","0.009","1073","","1073","","","","","","","","","4","F -4 3 m","F -4 2 3","216","","","","- Al2 Na2.28 O8 Si2 -","- Al2 Na2.282 O8 Si2 -","- Al4 Na4.564 O16 Si4 -","2","0.0208333","","Ming Zhao; Zhiguo Xia; Maxim S. Molokeev; Lixin Ning; Quanlin Liu","Temperature and Eu2+ Doping induced Phase Selection in NaAlSiO4 Polymorphs and the Controlled Yellow/Blue Emission","Chemistry of Materials","2017","29","15","6552","6559","10.1021/acs.chemmater.7b02548","powder diffraction","x-ray","1.5406","CuKα~1~~2~","","","","","","","","","0.46","1.199","","","","","","","has coordinates","205493","2020-10-21","18:00:00",""
"4002835","9.9762","0.00023","9.9762","0.00023","8.34957","0.0002","90","","90","","120","","719.66","0.03","300","","300","","","","","","","","","4","P 63","P 6c","173","","","Nepheline","- Al4 Na3.49 O16 Si4 -","- Al4 Na3.493 O16 Si4 -","- Al8 Na6.986 O32 Si8 -","2","0.333333","","Ming Zhao; Zhiguo Xia; Maxim S. Molokeev; Lixin Ning; Quanlin Liu","Temperature and Eu2+ Doping induced Phase Selection in NaAlSiO4 Polymorphs and the Controlled Yellow/Blue Emission","Chemistry of Materials","2017","29","15","6552","6559","10.1021/acs.chemmater.7b02548","powder diffraction","x-ray","1.5406","CuKα~1~~2~","","","","","","","","","1.8","1.421","","","","","","","has coordinates","199650","2020-10-21","18:00:00",""
"4002836","16.475","0.004","24.378","0.005","29.61","0.006","90","","102.95","0.003","90","","11590","4","296","2","296.15","","","","","","","","","6","P 1 21/m 1","-P 2yb","11","","","","- C180 H150 Au23 Br7 P10 Pd2 -","- C180 H150 Au23 Br7 P10 Pd2 -","- C360 H300 Au46 Br14 P20 Pd4 -","2","0.5","","Kang, Xi; Xiang, Ji; Lv, Ying; Du, Wenjun; Yu, Haizhu; Wang, Shuxin; Zhu, Manzhou","Synthesis and Structure of Self-Assembled Pd2Au23(PPh3)10Br7 Nanocluster: Exploiting Factors That Promote Assembly of Icosahedral Nano-Building-Blocks","Chemistry of Materials","2017","","","","","10.1021/acs.chemmater.7b02015","","","0.71073","MoKα","","0.1665","0.0809","","","0.1441","0.1696","","","","","","0.909","","","","has coordinates","199720","2020-10-21","18:00:00",""
"4002837","10.2959","0.0013","10.2959","0.0013","10.2959","0.0013","90","","90","","90","","1091.4","0.2","40","0.2","40","0.2","","","","","","","","3","I -4 3 m","I -4 2 3","217","","","","- Ag6 Ge10 P12 -","- Ag6 Ge10 P12 -","- Ag12 Ge20 P24 -","2","0.0416667","","Nuss, Jürgen; Wedig, Ulrich; Xie, Wenjie; Yordanov, Petar; Bruin, Jan; Hübner, Ralph; Weidenkaff, Anke; Takagi, Hidenori","Phosphide‒Tetrahedrite Ag6Ge10P12: Thermoelectric Performance of a Long-Forgotten Silver-Cluster Compound","Chemistry of Materials","2017","29","16","6956","","10.1021/acs.chemmater.7b02474","","x-ray","0.71073","MoKα","","0.0147","0.0127","","","0.0254","0.034","","","","","","1.387","","","","has coordinates","200652","2020-10-21","18:00:00",""
"4002838","10.32","0.002","10.32","0.002","10.32","0.002","90","","90","","90","","1099.1","0.4","500","0.2","500","0.2","","","","","","","","3","I -4 3 m","I -4 2 3","217","","","","- Ag6 Ge10 P12 -","- Ag6 Ge10 P12 -","- Ag12 Ge20 P24 -","2","0.0416667","","Nuss, Jürgen; Wedig, Ulrich; Xie, Wenjie; Yordanov, Petar; Bruin, Jan; Hübner, Ralph; Weidenkaff, Anke; Takagi, Hidenori","Phosphide‒Tetrahedrite Ag6Ge10P12: Thermoelectric Performance of a Long-Forgotten Silver-Cluster Compound","Chemistry of Materials","2017","29","16","6956","","10.1021/acs.chemmater.7b02474","","x-ray","0.71073","MoKα","","0.0238","0.0213","","","0.0433","0.0452","","","","","","1.053","","","","has coordinates","200148","2020-10-21","18:00:00",""
"4002839","10.3111","0.0007","10.3111","0.0007","10.3111","0.0007","90","","90","","90","","1096.26","0.13","298","0.2","298","0.2","","","","","","","","3","I -4 3 m","I -4 2 3","217","","","","- Ag6 Ge10 P12 -","- Ag6 Ge10 P12 -","- Ag12 Ge20 P24 -","2","0.0416667","","Nuss, Jürgen; Wedig, Ulrich; Xie, Wenjie; Yordanov, Petar; Bruin, Jan; Hübner, Ralph; Weidenkaff, Anke; Takagi, Hidenori","Phosphide‒Tetrahedrite Ag6Ge10P12: Thermoelectric Performance of a Long-Forgotten Silver-Cluster Compound","Chemistry of Materials","2017","29","16","6956","","10.1021/acs.chemmater.7b02474","","x-ray","0.71073","MoKα","","0.0239","0.0225","","","0.0468","0.048","","","","","","1.203","","","","has coordinates","200149","2020-10-21","18:00:00",""
"4002840","10.3004","0.0015","10.3004","0.0015","10.3004","0.0015","90","","90","","90","","1092.9","0.3","100","0.2","100","0.2","","","","","","","","3","I -4 3 m","I -4 2 3","217","","","","- Ag6 Ge10 P12 -","- Ag6 Ge10 P12 -","- Ag12 Ge20 P24 -","2","0.0416667","","Nuss, Jürgen; Wedig, Ulrich; Xie, Wenjie; Yordanov, Petar; Bruin, Jan; Hübner, Ralph; Weidenkaff, Anke; Takagi, Hidenori","Phosphide‒Tetrahedrite Ag6Ge10P12: Thermoelectric Performance of a Long-Forgotten Silver-Cluster Compound","Chemistry of Materials","2017","29","16","6956","","10.1021/acs.chemmater.7b02474","","x-ray","0.71073","MoKα","","0.0235","0.0217","","","0.0463","0.0493","","","","","","1.213","","","","has coordinates","200150","2020-10-21","18:00:00",""
"4002841","11.449","0.002","11.435","0.002","10.144","0.002","90","","90","","90","","1328","0.4","173","2","173","2","","","","","","","","6","P c a 21","P 2c -2ac","29","","","","- C4 H8 Cl2 Fe2 Li2 O12 -","- C4 H8 Cl2 Fe2 Li2 O12 -","- C16 H32 Cl8 Fe8 Li8 O48 -","4","1","","Yao, Wenjiao; Clark, Lucy; Xia, Mingjun; Li, Teng; Lee, Stephen L.; Lightfoot, Philip","Diverse Family of Layered Frustrated Magnets with Tailorable Interlayer Interactions","Chemistry of Materials","2017","29","16","6616","","10.1021/acs.chemmater.7b02434","","","0.71073","MoKα","","0.068","0.0395","","","0.0738","0.0839","","","","","","1.051","","","","has coordinates","200151","2020-10-21","18:00:00",""
"4002842","6.213","0.002","9.183","0.003","14.383","0.005","94.287","0.005","100.125","0.005","106.893","0.005","766","0.4","273.1","","273.1","","","","","","","","","4","P -1","-P 1","2","","4,8-bis(5-(2-ethylhexyl)thiophen-2-yl)-benzo[1,2-d:4,5-d']bis(thiazole)","","- C16 H20 N S2 -","- C16 H18 N S2 -","- C32 H36 N2 S4 -","2","1","","Zhang, Siyuan; Zhang, Junxiang; Abdelsamie, Maged; Shi, Qinqin; Zhang, Yadong; Parker, Timothy C.; Jucov, Evgheni V.; Timofeeva, Tatiana V.; Amassian, Aram; Bazan, Guillermo C.; Blakey, Simon B.; Barlow, Stephen; Marder, Seth R.","Intermediate-Sized Conjugated Donor Molecules for Organic Solar Cells: Comparison of Benzodithiophene and Benzobisthiazole-Based Cores","Chemistry of Materials","2017","29","18","7880","","10.1021/acs.chemmater.7b02665","","","0.71073","MoKα","","0.0683","0.0603","","","0.1759","0.1847","","","","","","1.003","","","","has coordinates","201746","2020-10-21","18:00:00",""
"4002843","23.7318","0.001","27.7793","0.0013","38.156","0.0017","90","","100.061","0.002","90","","24767.6","1.9","100","2","100","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C144 H157.5 N6 S9 -","- C144 H157.5 N6 S9 -","- C1152 H1260 N48 S72 -","8","1","","Abe, Yuichiro; Savikhin, Victoria; Yin, Jun; Grimsdale, Andrew C.; Soci, Cesare; Toney, Michael F.; Lam, Yeng Ming","Unique Reversible Crystal-to-Crystal Phase Transition—Structural and Functional Properties of Fused Ladder Thienoarenes","Chemistry of Materials","2017","29","18","7686","","10.1021/acs.chemmater.7b01226","","","1.54178","CuKα","","0.1858","0.1678","","","0.4527","0.4741","","","","","","2.079","","","","has coordinates,has disorder","201745","2020-10-21","18:00:00",""
"4002844","14.3203","0.0005","14.3203","0.0005","9.7057","0.0004","90","","90","","120","","1723.7","0.11","293","2","293","2","","","","","","","","4","R 3 :H","R 3","146","","","","- Ga5 Hg4 K Se12 -","- Ga5.001 Hg3.999 K Se12 -","- Ga15.003 Hg11.997 K3 Se36 -","3","0.333333","","Zhou, Molin; Yang, Yi; Guo, Yangwu; Lin, Zheshuai; Yao, Jiyong; Wu, Yicheng; Chen, Chuangtian","Hg-Based Infrared Nonlinear Optical Material KHg4Ga5Se12 Exhibits Good Phase-Matchability and Exceptional Second Harmonic Generation Response","Chemistry of Materials","2017","29","18","7993","","10.1021/acs.chemmater.7b03143","","","0.71073","MoKα","","0.0463","0.0434","","","0.087","0.0905","","","","","","1.026","","","","has coordinates","201748","2020-10-21","18:00:00",""
"4002845","12.0903","0.0014","12.0903","0.0014","7.5333","0.0009","90","","90","","120","","953.65","0.19","90","2","90","2","","","","","","","","5","P 31","P 31","144","Co3(HCOO)5Cl(OH2)","Co3(HCOO)5Cl(OH2)","","- C5 H7 Cl Co3 O11 -","- C5 H7 Cl Co3 O11 -","- C15 H21 Cl3 Co9 O33 -","3","1","","Greenfield, Joshua T.; Unger, Colin D.; Chen, Michael; Izquierdo, Nezhueyotl; Woo, Katherine E.; Garlea, V. Ovidiu; Kamali, Saeed; Kovnir, Kirill","A Series of Chiral, Polar, Homospin Topological Ferrimagnets: M3(OOCH)5Cl(OH2) (M = Fe, Co, Ni)","Chemistry of Materials","2017","29","18","7716","","10.1021/acs.chemmater.7b01755","","","0.71073","MoKα","","0.0298","0.0262","","","0.0542","0.0554","","","","","","1.052","","","","has coordinates","201747","2020-10-21","18:00:00",""
"4002846","11.9286","0.0005","11.9286","0.0005","7.3887","0.0004","90","","90","","120","","910.5","0.07","90","2","90","2","","","","","","","","5","P 31","P 31","144","Ni3(HCOO)5Cl(OH2)","Ni3(HCOO)5Cl(OH2)","","- C5 H7 Cl Ni3 O11 -","- C5 H7 Cl Ni3 O11 -","- C15 H21 Cl3 Ni9 O33 -","3","1","","Greenfield, Joshua T.; Unger, Colin D.; Chen, Michael; Izquierdo, Nezhueyotl; Woo, Katherine E.; Garlea, V. Ovidiu; Kamali, Saeed; Kovnir, Kirill","A Series of Chiral, Polar, Homospin Topological Ferrimagnets: M3(OOCH)5Cl(OH2) (M = Fe, Co, Ni)","Chemistry of Materials","2017","29","18","7716","","10.1021/acs.chemmater.7b01755","","","0.7749","synchrotron","","0.0748","0.0572","","","0.121","0.1283","","","","","","1.064","","","","has coordinates","201747","2020-10-21","18:00:00",""
"4002847","12.2116","0.0003","12.2116","0.0003","7.5739","0.0002","90","","90","","120","","978.13","0.04","100","2","100","2","","","","","","","","5","P 31","P 31","144","Fe3(HCOO)5Cl(OH2)","Fe3(HCOO)5Cl(OH2)","","- C5 H7 Cl Fe3 O11 -","- C5 H7 Cl Fe3 O11 -","- C15 H21 Cl3 Fe9 O33 -","3","1","","Greenfield, Joshua T.; Unger, Colin D.; Chen, Michael; Izquierdo, Nezhueyotl; Woo, Katherine E.; Garlea, V. Ovidiu; Kamali, Saeed; Kovnir, Kirill","A Series of Chiral, Polar, Homospin Topological Ferrimagnets: M3(OOCH)5Cl(OH2) (M = Fe, Co, Ni)","Chemistry of Materials","2017","29","18","7716","","10.1021/acs.chemmater.7b01755","","","0.71073","MoKα","","0.0338","0.028","","","0.0508","0.052","","","","","","1.04","","","","has coordinates","201747","2020-10-21","18:00:00",""
"4002848","9.5089","0.0006","16.5114","0.001","18.4177","0.0011","96.813","0.005","99.765","0.005","93.246","0.005","2820.9","0.3","130","0.1","130","0.1","","","","","","","","4","P -1","-P 1","2","","","","- C144 H106 N2 O4 -","- C144 H106 N2 O4 -","- C144 H106 N2 O4 -","1","0.5","","Zhang, Bolong; Soleimaninejad, Hamid; Jones, David J.; White, Jonathan M.; Ghiggino, Kenneth P.; Smith, Trevor A.; Wong, Wallace W. H.","Highly Fluorescent Molecularly Insulated Perylene Diimides: Effect of Concentration on Photophysical Properties","Chemistry of Materials","2017","29","19","8395","","10.1021/acs.chemmater.7b02968","","x-ray","1.54184","CuKα","","0.0928","0.0708","","","0.1955","0.2168","","","","","","1.04","","","","has coordinates","202664","2020-10-21","18:00:00",""
"4002849","16.945","0.003","17.24","0.003","20.307","0.004","81.27","0.03","73.96","0.03","64.79","0.03","5154","2","100","0.2","100","0.2","","","","","","","","4","P -1","-P 1","2","","","","- C136 H100 N4 O8 -","- C136 H100 N4 O8 -","- C272 H200 N8 O16 -","2","1","","Zhang, Bolong; Soleimaninejad, Hamid; Jones, David J.; White, Jonathan M.; Ghiggino, Kenneth P.; Smith, Trevor A.; Wong, Wallace W. H.","Highly Fluorescent Molecularly Insulated Perylene Diimides: Effect of Concentration on Photophysical Properties","Chemistry of Materials","2017","29","19","8395","","10.1021/acs.chemmater.7b02968","","","0.71073","Synchrotron","","0.0754","0.0694","","","0.2194","0.2277","","","","","","1.067","","","","has coordinates,has disorder","275243","2022-05-09","01:12:31",""
"4002850","13.969","0.007","17.144","0.009","17.97","0.01","104.668","0.016","109.998","0.017","96.169","0.014","3822","4","100","2","100","2","","","","","","","","5","P -1","-P 1","2","4tic","4tic","","- C189 H176 N8 O6 S8 -","- C189 H176 N8 O6 S8 -","- C189 H176 N8 O6 S8 -","1","0.5","","Shi, Xueliang; Zuo, Lijian; Jo, Sae Byeok; Gao, Ke; Lin, Francis; Liu, Feng; Jen, Alex K.-Y.","Design of a Highly Crystalline Low-Band Gap Fused-Ring Electron Acceptor for High-Efficiency Solar Cells with Low Energy Loss","Chemistry of Materials","2017","29","19","8369","","10.1021/acs.chemmater.7b02853","","","0.71073","MoKα","","0.4023","0.1422","","","0.2626","0.3592","","","","","","1.092","","","","has coordinates,has disorder","202661","2020-10-21","18:00:00",""
"4002852","13.679","","4.153","","15.127","","90","","115.51","","90","","775.57","","293","2","293","2","","","","","","","","4","C 1 2/m 1","-C 2y","12","","","","- Bi4 Cd Se8 Sn -","- Bi3.978 Cd1.022 Se8 Sn -","- Bi7.956 Cd2.044 Se16 Sn2 -","2","0.25","","Zhao, Jing; Islam, Saiful M.; Hao, Shiqiang; Tan, Gangjian; Su, Xianli; Chen, Haijie; Lin, Wenwen; Li, Rukang; Wolverton, Chris; Kanatzidis, Mercouri G.","Semiconducting Pavonites CdMBi4Se8 (M = Sn and Pb) and Their Thermoelectric Properties","Chemistry of Materials","2017","29","19","8494","","10.1021/acs.chemmater.7b03328","","","0.71069","MoKα","","0.0433","0.0312","","","0.058","0.0609","","","","","","1.086","","","","has coordinates","202663","2020-10-21","18:00:00",""
"4002853","13.713","0.003","4.1665","0.0008","15.228","0.003","90","","115.56","0.03","90","","784.9","0.3","293","2","293","2","","","","","","","","4","C 1 2/m 1","-C 2y","12","","","","- Bi4.04 Cd0.99 Pb0.96 Se8 -","- Bi4.04 Cd0.986 Pb0.96 Se8 -","- Bi8.08 Cd1.972 Pb1.92 Se16 -","2","0.25","","Zhao, Jing; Islam, Saiful M.; Hao, Shiqiang; Tan, Gangjian; Su, Xianli; Chen, Haijie; Lin, Wenwen; Li, Rukang; Wolverton, Chris; Kanatzidis, Mercouri G.","Semiconducting Pavonites CdMBi4Se8 (M = Sn and Pb) and Their Thermoelectric Properties","Chemistry of Materials","2017","29","19","8494","","10.1021/acs.chemmater.7b03328","","","0.71073","MoKα","","0.0484","0.0399","","","0.0904","0.0936","","","","","","1.066","","","","has coordinates","202663","2020-10-21","18:00:00",""
"4002854","10.5009","0.0005","11.9576","0.0005","17.2362","0.0007","80.684","0.002","76.252","0.002","88.259","0.002","2074.47","0.16","100","","100","","","","","","","","","7","P -1","-P 1","2","","'tetrakis(butane-1,4-bis(dimethylsulfonium)) octadecabromopentaplumbate dimethylformamide dimethylsulfoxide solvate'","","- C36.71 H92.71 Br18 N0.71 O2 Pb5 S9.29 -","- C36.71 H92.71 Br18 N0.71 O2 Pb5 S9.29 -","- C36.71 H92.71 Br18 N0.71 O2 Pb5 S9.29 -","1","0.5","","Smith, Matthew D.; Watson, Brian L.; Dauskardt, Reinhold H.; Karunadasa, Hemamala I.","Broadband Emission with a Massive Stokes Shift from Sulfonium Pb‒Br Hybrids","Chemistry of Materials","2017","29","17","7083","","10.1021/acs.chemmater.7b02594","","","0.6888","synchrotron","","0.0437","0.0315","","","0.0703","0.0754","","","","","","1.038","","","","has coordinates,has disorder","201596","2020-10-21","18:00:00",""
"4002855","11.4104","0.0005","9.2728","0.0004","18.5164","0.0008","90","","97.622","0.002","90","","1941.84","0.15","298","","298","","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","tetrakis(trimethylsulfonium) decabromotriplumbate","","- C12 H36 Br10 Pb3 S4 -","- C12 H36 Br10 Pb3 S4 -","- C24 H72 Br20 Pb6 S8 -","2","0.5","","Smith, Matthew D.; Watson, Brian L.; Dauskardt, Reinhold H.; Karunadasa, Hemamala I.","Broadband Emission with a Massive Stokes Shift from Sulfonium Pb‒Br Hybrids","Chemistry of Materials","2017","29","17","7083","","10.1021/acs.chemmater.7b02594","","","0.7749","synchrotron","","0.0483","0.034","","","0.0788","0.0877","","","","","","1.044","","","","has coordinates,has disorder","201597","2020-10-21","18:00:00",""
"4002856","22.1968","0.0011","11.207","0.0006","21.0031","0.0011","90","","90","","90","","5224.7","0.5","100","","100","","","","","","","","","5","P c a 21","P 2c -2ac","29","","tris(butane-1,4-bis(dimethylsulfonium)) dodecabromotriplumbate","","- C24 H60 Br12 Pb3 S6 -","- C24 H60 Br12 Pb3 S6 -","- C96 H240 Br48 Pb12 S24 -","4","1","","Smith, Matthew D.; Watson, Brian L.; Dauskardt, Reinhold H.; Karunadasa, Hemamala I.","Broadband Emission with a Massive Stokes Shift from Sulfonium Pb‒Br Hybrids","Chemistry of Materials","2017","29","17","7083","","10.1021/acs.chemmater.7b02594","","","0.7749","synchrotron","","0.0323","0.0304","","","0.0744","0.0757","","","","","","1.033","","","","has coordinates","201598","2020-10-21","18:00:00",""
"4002857","13.7222","0.0003","13.7222","0.0003","17.299","0.0004","90","","90","","120","","2820.97","0.11","293","2","293","2","","","","","","","","3","R -3 c :H","-R 3 2""c","167","","","","- Br6 Cs4 Pb -","- Br6 Cs4 Pb -","- Br36 Cs24 Pb6 -","6","0.166667","","De Bastiani, Michele; Dursun, Ibrahim; Zhang, Yuhai; Alshankiti, Buthainah A.; Miao, Xiao-He; Yin, Jun; Yengel, Emre; Alarousu, Erkki; Turedi, Bekir; Almutlaq, Jawaher M.; Saidaminov, Makhsud I.; Mitra, Somak; Gereige, Issam; AlSaggaf, Ahmed; Zhu, Yihan; Han, Yu; Roqan, Iman S.; Bredas, Jean-Luc; Mohammed, Omar F.; Bakr, Osman M.","Inside Perovskites: Quantum Luminescence from Bulk Cs4PbBr6 Single Crystals","Chemistry of Materials","2017","29","17","7108","","10.1021/acs.chemmater.7b02415","","x-ray","0.71073","MoKα","","0.0473","0.043","","","0.1309","0.1376","","","","","","1.071","","","","has coordinates","273129","2022-02-23","10:11:32",""
"4002858","6.193","0.005","17.569","0.014","19.605","0.015","107.797","0.005","90.469","0.011","100.043","0.01","1996","3","273","2","273","2","","","","","","","","5","P -1","-P 1","2","","'1,2-Bis(2-methyl-5-(4-octyloxyphenyl)-3-thienyl)perfluorocyclopentene'","","- C43 H50 F6 O2 S2 -","- C43 H50 F6 O2 S2 -","- C86 H100 F12 O4 S4 -","2","1","","Kitagawa, Daichi; Kawasaki, Kaito; Tanaka, Rika; Kobatake, Seiya","Mechanical Behavior of Molecular Crystals Induced by Combination of Photochromic Reaction and Reversible Single-Crystal-to-Single-Crystal Phase Transition","Chemistry of Materials","2017","29","17","7524","","10.1021/acs.chemmater.7b02558","","","0.71075","MoKα","","0.1192","0.0763","","","0.1859","0.2223","","","","","","1.064","","","","has coordinates,has disorder","201600","2020-10-21","18:00:00",""
"4002859","6.389","0.005","17.125","0.016","20.105","0.018","108.813","0.004","90.502","0.014","102.091","0.012","2029","3","313.15","","313","2","","","","","","","","5","P -1","-P 1","2","","1,2-Bis(2-methyl-5-(4-octyloxyphenyl)-3-thienyl)perfluorocyclopentene","","- C43 H50 F6 O2 S2 -","- C43 H50 F6 O2 S2 -","- C86 H100 F12 O4 S4 -","2","1","","Kitagawa, Daichi; Kawasaki, Kaito; Tanaka, Rika; Kobatake, Seiya","Mechanical Behavior of Molecular Crystals Induced by Combination of Photochromic Reaction and Reversible Single-Crystal-to-Single-Crystal Phase Transition","Chemistry of Materials","2017","29","17","7524","","10.1021/acs.chemmater.7b02558","","","0.71075","MoKα","","0.1636","0.0898","","","0.2038","0.2453","","","","","","1.13","","","","has coordinates,has disorder","201601","2020-10-21","18:00:00",""
"4002860","9.0437","0.0006","10.8072","0.0006","10.8381","0.0007","116.35","0.006","102.549","0.006","96.607","0.005","899.05","0.12","100","0.11","100","0.11","","","","","","","","7","P -1","-P 1","2","","","","- C15 H15 Cu I N6 O P -","- C15 H15 Cu I N6 O P -","- C30 H30 Cu2 I2 N12 O2 P2 -","2","1","","Yu, Muxin; Chen, Lian; Jiang, Feilong; Zhou, Kang; Liu, Caiping; Sun, Cai; Li, Xingjun; Yang, Yan; Hong, Maochun","Cation-Induced Strategy toward an Hourglass-Shaped Cu6I7‒ Cluster and Its Color-Tunable Luminescence","Chemistry of Materials","2017","29","19","8093","","10.1021/acs.chemmater.7b01790","","","1.54184","CuKα","","0.0345","0.0315","","","0.0793","0.0819","","","","","","1.055","","","","has coordinates","202662","2020-10-21","18:00:00",""
"4002861","14.4114","0.0005","14.4114","0.0005","46.858","0.002","90","","90","","120","","8428","0.5","100","2","100","2","","","","","","","","8","R -3 c :H","-R 3 2""c","167","","","","- C30 H30 Cu6 I7 Li N12 O8 P2 -","- C30 H30 Cu6 I7 Li0.9999 N12 O8 P2 -","- C180 H180 Cu36 I42 Li5.9994 N72 O48 P12 -","6","0.166667","","Yu, Muxin; Chen, Lian; Jiang, Feilong; Zhou, Kang; Liu, Caiping; Sun, Cai; Li, Xingjun; Yang, Yan; Hong, Maochun","Cation-Induced Strategy toward an Hourglass-Shaped Cu6I7‒ Cluster and Its Color-Tunable Luminescence","Chemistry of Materials","2017","29","19","8093","","10.1021/acs.chemmater.7b01790","","","1.54184","CuKα","","0.0509","0.0442","","","0.1157","0.1226","","","","","","1.05","","","","has coordinates","202662","2020-10-21","18:00:00",""
"4002862","14.364","0.0002","14.364","0.0002","47.9353","0.0008","90","","90","","120","","8565.2","0.2","100","0.3","100","0.3","","","","","","","","8","R -3 c :H","-R 3 2""c","167","","","","- C30 H30 Cu6 I7 N12 Na O5 P2 -","- C30 H30 Cu6 I7 N12 Na O5 P2 -","- C180 H180 Cu36 I42 N72 Na6 O30 P12 -","6","0.166667","","Yu, Muxin; Chen, Lian; Jiang, Feilong; Zhou, Kang; Liu, Caiping; Sun, Cai; Li, Xingjun; Yang, Yan; Hong, Maochun","Cation-Induced Strategy toward an Hourglass-Shaped Cu6I7‒ Cluster and Its Color-Tunable Luminescence","Chemistry of Materials","2017","29","19","8093","","10.1021/acs.chemmater.7b01790","","","1.54184","CuKα","","0.0363","0.0341","","","0.0965","0.0984","","","","","","1.09","","","","has coordinates","202662","2020-10-21","18:00:00",""
"4002863","14.343","0.0002","14.343","0.0002","48.4451","0.0009","90","","90","","120","","8631","0.2","100","2","100","2","","","","","","","","7","R -3 c :H","-R 3 2""c","167","","","","- C30 H30 Cu6 I7 N12 O2 P2 -","- C30 H30 Cu6 I7 N12 O2 P2 -","- C180 H180 Cu36 I42 N72 O12 P12 -","6","0.166667","","Yu, Muxin; Chen, Lian; Jiang, Feilong; Zhou, Kang; Liu, Caiping; Sun, Cai; Li, Xingjun; Yang, Yan; Hong, Maochun","Cation-Induced Strategy toward an Hourglass-Shaped Cu6I7‒ Cluster and Its Color-Tunable Luminescence","Chemistry of Materials","2017","29","19","8093","","10.1021/acs.chemmater.7b01790","","","1.54184","CuKα","","0.0366","0.0355","","","0.1116","0.1128","","","","","","1.125","","","","has coordinates","202662","2020-10-21","18:00:00",""
"4002864","14.3646","0.0008","14.3646","0.0008","49.201","0.003","90","","90","","120","","8792.1","0.9","100.01","0.17","100.01","0.17","","","","","","","","8","R -3 c :H","-R 3 2""c","167","","","","- C30 H30 Cu6 I7 K N12 O2 P2 -","- C30 H30 Cu6 I7 K N12 O2 P2 -","- C180 H180 Cu36 I42 K6 N72 O12 P12 -","6","0.166667","","Yu, Muxin; Chen, Lian; Jiang, Feilong; Zhou, Kang; Liu, Caiping; Sun, Cai; Li, Xingjun; Yang, Yan; Hong, Maochun","Cation-Induced Strategy toward an Hourglass-Shaped Cu6I7‒ Cluster and Its Color-Tunable Luminescence","Chemistry of Materials","2017","29","19","8093","","10.1021/acs.chemmater.7b01790","","","1.54184","CuKα","","0.056","0.0471","","","0.1344","0.1413","","","","","","1.104","","","","has coordinates","202662","2020-10-21","18:00:00",""
"4002865","14.2783","0.0004","14.2783","0.0004","49.8573","0.0014","90","","90","","120","","8802.6","0.4","100","0.4","100","2","","","","","","","","7","R -3 c :H","-R 3 2""c","167","","","","- C38 H30 Cu6 I7 N13 O2 P2 -","- C37.9995 H30 Cu6 I7 N12.9999 O2 P2 -","- C227.997 H180 Cu36 I42 N77.9994 O12 P12 -","6","0.166667","","Yu, Muxin; Chen, Lian; Jiang, Feilong; Zhou, Kang; Liu, Caiping; Sun, Cai; Li, Xingjun; Yang, Yan; Hong, Maochun","Cation-Induced Strategy toward an Hourglass-Shaped Cu6I7‒ Cluster and Its Color-Tunable Luminescence","Chemistry of Materials","2017","29","19","8093","","10.1021/acs.chemmater.7b01790","","","1.54184","CuKα","","0.041","0.0358","","","0.1035","0.1055","","","","","","1.241","","","","has coordinates","202662","2020-10-21","18:00:00",""
"4002866","15.4067","0.0003","14.6428","0.0003","10.625","0.0002","90","","93.991","0.0017","90","","2391.16","0.08","293","","293","","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- Al Mo6 Na9 O24 -","- Al Mo6 Na9 O24 -","- Al4 Mo24 Na36 O96 -","4","0.5","","Savina, Aleksandra A.; Morozov, Vladimir A.; Buzlukov, Anton L.; Arapova, Irina Yu.; Stefanovich, Sergey Yu.; Baklanova, Yana V.; Denisova, Tatiana A.; Medvedeva, Nadezhda I.; Bardet, Michel; Hadermann, Joke; Lazoryak, Bogdan I.; Khaikina, Elena G.","New Solid Electrolyte Na9Al(MoO4)6: Structure and Na+ Ion Conductivity","Chemistry of Materials","2017","29","20","8901","","10.1021/acs.chemmater.7b03989","powder diffraction","x-ray","1.5418","CuKα","","0.0349","0.0348","","0.0421","0.042","","","","2.87","","","","","","","has coordinates","202665","2020-10-21","18:00:00",""
"4002867","14.87","0.008","13.8","0.008","12.445","0.006","90","","90","","90","","2554","2","293","2","293","2","","","","","","","","3","P n a 21","P 2c -2n","33","Rb4Ge4Se12","","","- Ge4 Rb4 Se12 -","- Ge4 Rb4 Se12 -","- Ge16 Rb16 Se48 -","4","1","","Liu, Bin-Wen; Zhang, Min-Yi; Jiang, Xiao-Ming; Li, Shu-Fang; Zeng, Hui-Yi; Wang, Guo-Qiang; Fan, Yu-Hang; Su, Yong-Fei; Li, Chunsen; Guo, Guo-Cong; Huang, Jin-Shun","Large Second-Harmonic Generation Responses Achieved by the Dimeric [Ge2Se4(μ-Se2)]4‒ Functional Motif in Polar Polyselenides A4Ge4Se12 (A = Rb, Cs)","Chemistry of Materials","2017","29","21","9200","","10.1021/acs.chemmater.7b03046","","","0.71073","MoKα","","0.068","0.0473","","","0.0938","0.1038","","","","","","1.054","","","","has coordinates","203984","2020-10-21","18:00:00",""
"4002868","15.193","0.006","13.944","0.005","12.845","0.005","90","","90","","90","","2721.2","1.8","293","2","293","2","","","","","","","","3","P n a 21","P 2c -2n","33","Cs4Ge4Se12","","","- Cs4 Ge4 Se12 -","- Cs4 Ge4 Se12 -","- Cs16 Ge16 Se48 -","4","1","","Liu, Bin-Wen; Zhang, Min-Yi; Jiang, Xiao-Ming; Li, Shu-Fang; Zeng, Hui-Yi; Wang, Guo-Qiang; Fan, Yu-Hang; Su, Yong-Fei; Li, Chunsen; Guo, Guo-Cong; Huang, Jin-Shun","Large Second-Harmonic Generation Responses Achieved by the Dimeric [Ge2Se4(μ-Se2)]4‒ Functional Motif in Polar Polyselenides A4Ge4Se12 (A = Rb, Cs)","Chemistry of Materials","2017","29","21","9200","","10.1021/acs.chemmater.7b03046","","","0.71073","MoKα","","0.055","0.0388","","","0.0767","0.0831","","","","","","1.002","","","","has coordinates","203984","2020-10-21","18:00:00",""
"4002869","18.9153","0.0018","18.9153","0.0018","4.3783","0.0004","90","","90","","120","","1356.6","0.2","296","2","296","2","","","","","","","","3","P -3","-P 3","147","","","","- Ag11.86 Se7 Tl2 -","- Ag11.864 Se7 Tl2 -","- Ag35.592 Se21 Tl6 -","3","0.5","","Shi, Yixuan; Assoud, Abdeljalil; Sankar, Cheriyedath Raj; Kleinke, Holger","Tl2Ag12Se7: A New pnp Conduction Switching Material with Extraordinarily Low Thermal Conductivity","Chemistry of Materials","2017","29","21","9565","","10.1021/acs.chemmater.7b04015","","","0.71073","MoKα","","0.0859","0.0492","","","0.0938","0.1078","","","","","","1.163","","","","has coordinates","203983","2020-10-21","18:00:00",""
"4002870","18.7055","0.0003","39.8841","0.0005","27.8207","0.0005","90","","90","","90","","20755.7","0.6","293","2","293","2","","","","","","","","5","I m m m","-I 2 2","71","","","","- C36 H23 Cu3 N3 O18 -","- C36 H23 Cu3 N3 O18 -","- C288 H184 Cu24 N24 O144 -","8","0.5","","Li, Pei-Zhou; Wang, Xiao-Jun; Liu, Jia; Phang, Hui Shi; Li, Yongxin; Zhao, Yanli","Highly Effective Carbon Fixation via Catalytic Conversion of CO2 by an Acylamide-Containing Metal‒Organic Framework","Chemistry of Materials","2017","29","21","9256","","10.1021/acs.chemmater.7b03183","","","1.54184","CuKα","","0.0544","0.0468","","","0.1405","0.1474","","","","","","0.997","","","","has coordinates,has disorder","203985","2020-10-21","18:00:00",""
"4002871","5.3664","0.0012","6.2313","0.0014","8.7401","0.0018","70.5","0.018","73.152","0.018","79.38","0.02","262.43","0.11","293","2","293","2","","","","","","","","4","P -1","-P 1","2","[Cd(N3)2(atrz)]n","","","- C4 H4 Cd N14 -","- C4 H4 Cd N14 -","- C4 H4 Cd N14 -","1","0.5","","Xu, Jian-Gang; Sun, Cai; Zhang, Ming-Jian; Liu, Bin-Wen; Li, Xiao-Zhen; Lu, Jian; Wang, Shuai-Hua; Zheng, Fa-Kun; Guo, Guo-Cong","Coordination Polymerization of Metal Azides and Powerful Nitrogen-Rich Ligand toward Primary Explosives with Excellent Energetic Performances","Chemistry of Materials","2017","29","22","9725","","10.1021/acs.chemmater.7b03453","","","0.71073","MoKα","","0.0214","0.0213","","","0.0509","0.051","","","","","","1.049","","","","has coordinates","203982","2020-10-21","18:00:00",""
"4002872","5.2315","0.0016","6.0448","0.0019","8.497","0.003","71.411","0.018","74.31","0.02","79.01","0.02","243.58","0.14","293","2","293","2","","","","","","","","4","P -1","-P 1","2","[Co(N3)2(atrz)]n","","","- C4 H4 Co N14 -","- C4 H4 Co N14 -","- C4 H4 Co N14 -","1","0.5","","Xu, Jian-Gang; Sun, Cai; Zhang, Ming-Jian; Liu, Bin-Wen; Li, Xiao-Zhen; Lu, Jian; Wang, Shuai-Hua; Zheng, Fa-Kun; Guo, Guo-Cong","Coordination Polymerization of Metal Azides and Powerful Nitrogen-Rich Ligand toward Primary Explosives with Excellent Energetic Performances","Chemistry of Materials","2017","29","22","9725","","10.1021/acs.chemmater.7b03453","","","0.71073","MoKα","","0.0517","0.0432","","","0.1071","0.1102","","","","","","1.027","","","","has coordinates","203982","2020-10-21","18:00:00",""
"4002873","9.9491","0.0004","10.5856","0.0004","10.6882","0.0004","90","","102.604","0.002","90","","1098.52","0.07","150","2","150","2","","","","","","","","5","C 1 2/m 1","-C 2y","12","","","","- C2 H12 Br4 N2 Pd -","- C2 H12 Br4 N2 Pd -","- C8 H48 Br16 N8 Pd4 -","4","0.5","","Wong, Man Kwong; Liu, Fangzhou; Kam, Chun Sing; Leung, Tik Lun; Tam, Ho Won; Djurišić, Aleksandra B.; Popović, Jasminka; Li, Hangkong; Shih, Kaimin; Low, Kam-Hung; Chan, Wai Kin; Chen, Wei; He, Zhubing; Ng, Annie; Surya, Charles","Synthesis of Lead-Free Perovskite Films by Combinatorial Evaporation: Fast Processes for Screening Different Precursor Combinations","Chemistry of Materials","2017","29","23","9946","","10.1021/acs.chemmater.7b03293","","","0.71073","MoKα","","0.0673","0.0401","","","0.0836","0.0928","","","","","","1.027","","","","has coordinates","204785","2020-10-21","18:00:00",""
"4002874","8.4218","0.0012","8.9253","0.0013","26.11","0.004","90","","90","","90","","1962.6","0.5","150","2","150","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C8 H24 I4 N2 Sn -","- C8 H24 I4 N2 Sn -","- C32 H96 I16 N8 Sn4 -","4","0.5","","Wong, Man Kwong; Liu, Fangzhou; Kam, Chun Sing; Leung, Tik Lun; Tam, Ho Won; Djurišić, Aleksandra B.; Popović, Jasminka; Li, Hangkong; Shih, Kaimin; Low, Kam-Hung; Chan, Wai Kin; Chen, Wei; He, Zhubing; Ng, Annie; Surya, Charles","Synthesis of Lead-Free Perovskite Films by Combinatorial Evaporation: Fast Processes for Screening Different Precursor Combinations","Chemistry of Materials","2017","29","23","9946","","10.1021/acs.chemmater.7b03293","","","0.71073","MoKα","","0.0722","0.0652","","","0.1372","0.1393","","","","","","1.392","","","","has coordinates","204785","2020-10-21","18:00:00",""
"4002875","11.7344","0.0015","8.5264","0.0011","7.5155","0.0009","90","","102.089","0.004","90","","735.27","0.16","150","2","150","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C6 H20 Br4 N2 Pd -","- C6 H20 Br4 N2 Pd -","- C12 H40 Br8 N4 Pd2 -","2","0.5","","Wong, Man Kwong; Liu, Fangzhou; Kam, Chun Sing; Leung, Tik Lun; Tam, Ho Won; Djurišić, Aleksandra B.; Popović, Jasminka; Li, Hangkong; Shih, Kaimin; Low, Kam-Hung; Chan, Wai Kin; Chen, Wei; He, Zhubing; Ng, Annie; Surya, Charles","Synthesis of Lead-Free Perovskite Films by Combinatorial Evaporation: Fast Processes for Screening Different Precursor Combinations","Chemistry of Materials","2017","29","23","9946","","10.1021/acs.chemmater.7b03293","","","0.71073","MoKα","","0.0582","0.0407","","","0.0873","0.0921","","","","","","1.107","","","","has coordinates","204785","2020-10-21","18:00:00",""
"4002876","5.5848","0.0008","5.5848","0.0008","8.94","0.0018","90","","90","","90","","278.84","0.08","100","2","100","2","","","","","","","","2","P -4 c 2","P -4 -2c","116","","","","- Fe2 Ge3 -","- Fe2 Ge3 -","- Fe8 Ge12 -","4","0.5","","Verchenko, Valeriy Yu.; Wei, Zheng; Tsirlin, Alexander A.; Callaert, Carolien; Jesche, Anton; Hadermann, Joke; Dikarev, Evgeny V.; Shevelkov, Andrei V.","Crystal Growth of the Nowotny Chimney Ladder Phase Fe2Ge3: Exploring New Fe-Based Narrow-Gap Semiconductor with Promising Thermoelectric Performance","Chemistry of Materials","2017","29","23","9954","","10.1021/acs.chemmater.7b03300","","","0.71073","MoKα","","0.0284","0.0276","","","0.0691","0.0695","","","","","","1.357","","","","has coordinates","204784","2020-10-21","18:00:00",""
"4002877","14.29","0.002","14.29","0.002","31.3","0.006","90","","90","","120","","5535.3","1.5","100","2","100","2","","","","","","","","4","P 63/m m c","-P 6c 2c","194","","","","- C54 H18 Al12 O73.5 -","- C54 H18 Al12 O73.5 -","- C108 H36 Al24 O147 -","2","0.0833333","","Benzaqui, Marvin; Pillai, Renjith S.; Sabetghadam, Anahid; Benoit, Virginie; Normand, Perine; Marrot, Jérôme; Menguy, Nicolas; Montero, David; Shepard, William; Tissot, Antoine; Martineau-Corcos, Charlotte; Sicard, Clémence; Mihaylov, Mihail; Carn, Florent; Beurroies, Isabelle; Llewellyn, Philip L.; De Weireld, Guy; Hadjiivanov, Konstantin; Gascon, Jorge; Kapteijn, Freek; Maurin, Guillaume; Steunou, Nathalie; Serre, Christian","Revisiting the Aluminum Trimesate-Based MOF (MIL-96): From Structure Determination to the Processing of Mixed Matrix Membranes for CO2 Capture","Chemistry of Materials","2017","29","24","10326","","10.1021/acs.chemmater.7b03203","","","0.8266","synchrotron","","0.1279","0.1044","","","0.2564","0.2917","","","","","","1.072","","","","has coordinates","204782","2020-10-21","18:00:00",""
"4002878","5.0813","0.0001","15.1585","0.0003","29.3246","0.0007","83.882","0.001","85.728","0.001","82.705","0.002","2223.42","0.08","173","2","173","2","","","","","","","","5","P -1","-P 1","2","","","","- C56 H52 Cu3 O18 P6 -","- C56 H52 Cu3 O18 P6 -","- C56 H52 Cu3 O18 P6 -","1","0.5","","Gelfand, Benjamin S.; Huynh, Racheal P. S.; Collins, Sean P.; Woo, Tom K.; Shimizu, George K. H.","Computational and Experimental Assessment of CO2 Uptake in Phosphonate Monoester Metal‒Organic Frameworks","Chemistry of Materials","2017","29","24","10469","","10.1021/acs.chemmater.7b04108","","","0.71073","MoKα","","0.1283","0.0699","","","0.1307","0.1415","","","","","","0.966","","","","has coordinates","204783","2020-10-21","18:00:00",""
"4002879","5.039","0.001","27.642","0.006","23.662","0.005","90","","94.95","0.03","90","","3283.5","1.2","173.15","","173.15","","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C60 H60 Cu3 O18 P6 -","- C60 H60 Cu3 O18 P6 -","- C120 H120 Cu6 O36 P12 -","2","0.5","","Gelfand, Benjamin S.; Huynh, Racheal P. S.; Collins, Sean P.; Woo, Tom K.; Shimizu, George K. H.","Computational and Experimental Assessment of CO2 Uptake in Phosphonate Monoester Metal‒Organic Frameworks","Chemistry of Materials","2017","29","24","10469","","10.1021/acs.chemmater.7b04108","","","0.71073","MoKα","","0.1131","0.0788","","","0.1468","0.1624","","","","","","1.094","","","","has coordinates,has disorder","204783","2020-10-21","18:00:00",""
"4002880","9.5073","0.0005","35.1644","0.0018","21.6818","0.0011","90","","92.515","0.004","90","","7241.6","0.6","150","2","149.99","","","","","","","","","9","P 1 21/c 1","-P 2ybc","14","","","","- C76 H70 B2 F8 N6 O P2 Pd S2 -","- C76 H70 B2 F8 N6 O P2 Pd S2 -","- C304 H280 B8 F32 N24 O4 P8 Pd4 S8 -","4","1","","d’Aquino, Andrea I.; Kean, Zachary S.; Mirkin, Chad A.","Infinite Coordination Polymer Particles Composed of Stimuli-Responsive Coordination Complex Subunits","Chemistry of Materials","2017","29","24","10284","","10.1021/acs.chemmater.7b03638","","","1.54178","CuKα","","0.0803","0.0605","","","0.1515","0.1607","","","","","","1.05","","","","has coordinates,has disorder","204781","2020-10-21","18:00:00",""
"4002881","19.181","0.0018","18.443","0.0017","22.97","0.002","90","","94.759","0.002","90","","8097.7","1.3","293","2","293","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","Gd@C82(C4H8NO)7","","","- C110 H56 Gd N7 O7 -","- C110 H56 Gd N7 O7 -","- C440 H224 Gd4 N28 O28 -","4","1","","Huang, Huan; Zhang, Lele; Gao, Xuejiao J.; Guo, Xihong; Cui, Rongli; Xu, Binggang; Dong, Jinquan; Li, Yanbang; Gan, Liangbing; Chang, Fei; Gao, Xingfa; Sun, Baoyun","Regioselective Polyamination of Gd@C2v(9)-C82 and Non-High Performance Liquid Chromatography Rapid Separation of Gd@C82(morpholine)7","Chemistry of Materials","2017","30","1","64","","10.1021/acs.chemmater.7b03787","","","0.71073","MoKα","","0.0899","0.0762","","","0.2293","0.2395","","","","","","1.063","","","","has coordinates,has disorder","206139","2020-10-21","18:00:00",""
"4003331","13.17398","0.00011","13.17398","","30.0925","0.0009","90","","90","","120","","4522.96","0.14","295","","295","","","","","","","","","7","P -3 1 c","-P 3 2c","163","SAPO-STA-20 as-prepared dehydrated","","","- C1.29 H3.01 Al N0.33 O4.09 P0.95 Si0.05 -","- C1.294 H3.01974 Al N0.323734 O4.08933 P0.95 Si0.05 -","- C46.5841 H108.711 Al36 N11.6544 O147.216 P34.2 Si1.8 -","36","3","","Turrina, Alessandro; Garcia, Raquel; Watts, Abigail E.; Greer, Heather F.; Bradley, Jonathan; Zhou, Wuzong; Cox, Paul A.; Shannon, Mervyn D.; Mayoral, Alvaro; Casci, John L.; Wright, Paul A.","STA-20: An ABC-6 Zeotype Structure Prepared by Co-Templating and Solved via a Hypothetical Structure Database and STEM-ADF Imaging","Chemistry of Materials","2017","29","5","2180","","10.1021/acs.chemmater.6b04892","powder diffraction","x-ray","0.826163","","","","","","","","","0.12644","","5.44","","","","","","","has coordinates","231524","2020-10-21","18:00:00",""
"4003332","13.15497","0.00018","13.15497","","30.5833","0.0004","90","","90","","120","","4583.47","0.09","295","","295","","","","","","","","","4","P -3 1 c","-P 3 2c","163","SAPO-STA-20 calcined dehydrated","","","- Al O4 P0.95 Si0.05 -","- Al O4 P0.95 Si0.05 -","- Al36 O144 P34.2 Si1.8 -","36","3","","Turrina, Alessandro; Garcia, Raquel; Watts, Abigail E.; Greer, Heather F.; Bradley, Jonathan; Zhou, Wuzong; Cox, Paul A.; Shannon, Mervyn D.; Mayoral, Alvaro; Casci, John L.; Wright, Paul A.","STA-20: An ABC-6 Zeotype Structure Prepared by Co-Templating and Solved via a Hypothetical Structure Database and STEM-ADF Imaging","Chemistry of Materials","2017","29","5","2180","","10.1021/acs.chemmater.6b04892","powder diffraction","x-ray","0.826163","","","","","","","","","0.12103","","4.21","","","","","","","has coordinates","231524","2020-10-21","18:00:00",""
"4003333","14.739","0.0009","20.9507","0.001","23.2253","0.0013","90","","90","","90","","7171.8","0.7","293","2","293","2","","","","","","","","6","P b c a","-P 2ac 2ab","61","","","","- C54 H44 N2 O24 P2 Ti6 -","- C54 H86 N2 O24 P2 Ti6 -","- C216 H344 N8 O96 P8 Ti24 -","4","0.5","","Fang, Wei-Hui; Wang, Jian-Fang; Zhang, Lei; Zhang, Jian","Titanium‒Oxo Cluster Based Precise Assembly for Multidimensional Materials","Chemistry of Materials","2017","29","7","2681","","10.1021/acs.chemmater.7b00324","","","0.71073","MoKα","","0.0745","0.0599","","","0.1583","0.1706","","","","","","1.044","","","","has coordinates","231525","2020-10-21","18:00:00",""
"4003334","14.4746","0.0004","14.8614","0.0004","20.4638","0.0006","90","","124.016","0.002","90","","3648.8","0.2","293","2","293","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C52 H88 N2 O26 P2 S2 Ti6 -","- C52 H88 N2 O26 P2 S2 Ti6 -","- C104 H176 N4 O52 P4 S4 Ti12 -","2","0.5","","Fang, Wei-Hui; Wang, Jian-Fang; Zhang, Lei; Zhang, Jian","Titanium‒Oxo Cluster Based Precise Assembly for Multidimensional Materials","Chemistry of Materials","2017","29","7","2681","","10.1021/acs.chemmater.7b00324","","","1.54178","CuKα","","0.0591","0.0483","","","0.1346","0.1494","","","","","","1.033","","","","has coordinates","264242","2021-04-16","08:49:05",""
"4003335","12.414","0.002","15.182","0.003","19.227","0.004","90","","93.528","0.004","90","","3616.8","1.2","293.15","","293.15","","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C52 H86 N4 O24 P2 Ti6 -","- C52 H86 N4 O24 P2 Ti6 -","- C104 H172 N8 O48 P4 Ti12 -","2","0.5","","Fang, Wei-Hui; Wang, Jian-Fang; Zhang, Lei; Zhang, Jian","Titanium‒Oxo Cluster Based Precise Assembly for Multidimensional Materials","Chemistry of Materials","2017","29","7","2681","","10.1021/acs.chemmater.7b00324","","","0.71073","MoKα","","0.057","0.049","","","0.1366","0.1432","","","","","","1.095","","","","has coordinates","231525","2020-10-21","18:00:00",""
"4003336","12.751","0.01","14.762","0.012","21.641","0.016","96.651","0.006","94.063","0.009","110.713","0.007","3757","5","293","2","293","2","","","","","","","","8","P -1","-P 1","2","","","","- C54 H88 Cl2 Cu N2 O24 P2 Ti6 -","- C54 H84 Cl2 Cu N2 O24 P2 Ti6 -","- C108 H168 Cl4 Cu2 N4 O48 P4 Ti12 -","2","1","","Fang, Wei-Hui; Wang, Jian-Fang; Zhang, Lei; Zhang, Jian","Titanium‒Oxo Cluster Based Precise Assembly for Multidimensional Materials","Chemistry of Materials","2017","29","7","2681","","10.1021/acs.chemmater.7b00324","","","0.71073","MoKα","","0.1617","0.1201","","","0.2827","0.3004","","","","","","1.328","","","","has coordinates","231525","2020-10-21","18:00:00",""
"4003337","12.8145","0.0004","14.7882","0.0005","21.93","0.0008","97.346","0.003","94.755","0.003","109.668","0.003","3845.8","0.2","293","2","293","2","","","","","","","","8","P -1","-P 1","2","","","","- C54 H88 Br2 Cu N2 O24 P2 Ti6 -","- C54 H88 Br2 Cu N2 O24 P2 Ti6 -","- C108 H176 Br4 Cu2 N4 O48 P4 Ti12 -","2","1","","Fang, Wei-Hui; Wang, Jian-Fang; Zhang, Lei; Zhang, Jian","Titanium‒Oxo Cluster Based Precise Assembly for Multidimensional Materials","Chemistry of Materials","2017","29","7","2681","","10.1021/acs.chemmater.7b00324","","","1.54178","CuKα","","0.0859","0.0678","","","0.188","0.219","","","","","","1.034","","","","has coordinates","231525","2020-10-21","18:00:00",""
"4003338","12.349","0.003","12.877","0.003","18.344","0.005","91.107","0.003","107.211","0.002","105.799","0.002","2665.3","1.2","173","2","173","2","","","","","","","","8","P -1","-P 1","2","","","","- C45 H59 Cl Cu N O12 P2 Ti3 -","- C45 H59 Cl Cu N O12 P2 Ti3 -","- C90 H118 Cl2 Cu2 N2 O24 P4 Ti6 -","2","1","","Fang, Wei-Hui; Wang, Jian-Fang; Zhang, Lei; Zhang, Jian","Titanium‒Oxo Cluster Based Precise Assembly for Multidimensional Materials","Chemistry of Materials","2017","29","7","2681","","10.1021/acs.chemmater.7b00324","","","0.71073","MoKα","","0.0632","0.0464","","","0.1239","0.1552","","","","","","1.035","","","","has coordinates","231525","2020-10-21","18:00:00",""
"4003339","12.1894","0.001","12.9651","0.0011","18.4828","0.0015","91.798","0.001","106.513","0.003","106.143","0.003","2670.7","0.4","173","2","173","2","","","","","","","","8","P -1","-P 1","2","","","","- C45 H59 Br Cu N O12 P2 Ti3 -","- C45 H59 Br Cu N O12 P2 Ti3 -","- C90 H118 Br2 Cu2 N2 O24 P4 Ti6 -","2","1","","Fang, Wei-Hui; Wang, Jian-Fang; Zhang, Lei; Zhang, Jian","Titanium‒Oxo Cluster Based Precise Assembly for Multidimensional Materials","Chemistry of Materials","2017","29","7","2681","","10.1021/acs.chemmater.7b00324","","","0.71073","MoKα","","0.0604","0.0526","","","0.16","0.1661","","","","","","1.089","","","","has coordinates","231525","2020-10-21","18:00:00",""
"4003340","11.9007","0.0005","13.1334","0.0006","18.7685","0.0007","93.366","0.003","105.25","0.004","106.592","0.004","2683.8","0.2","298","2","298","2","","","","","","","","8","P -1","-P 1","2","","","","- C45 H56 Cu I N O12 P2 Ti3 -","- C45 H56 Cu I N O12 P2 Ti3 -","- C90 H112 Cu2 I2 N2 O24 P4 Ti6 -","2","1","","Fang, Wei-Hui; Wang, Jian-Fang; Zhang, Lei; Zhang, Jian","Titanium‒Oxo Cluster Based Precise Assembly for Multidimensional Materials","Chemistry of Materials","2017","29","7","2681","","10.1021/acs.chemmater.7b00324","","","0.71073","MoKα","","0.0908","0.0542","","","0.1341","0.151","","","","","","1.067","","","","has coordinates","231525","2020-10-21","18:00:00",""
"4003341","14.756","0.0005","14.8185","0.0006","20.8524","0.0008","72.098","0.004","79.337","0.003","78.319","0.003","4212","0.3","293","2","293","2","","","","","","","","8","P -1","-P 1","2","","","","- C53 H88 Cl Cu N2 O24 P2 Ti6 -","- C54 H81 Cl Cu N2 O24 P2 Ti6 -","- C108 H162 Cl2 Cu2 N4 O48 P4 Ti12 -","2","1","","Fang, Wei-Hui; Wang, Jian-Fang; Zhang, Lei; Zhang, Jian","Titanium‒Oxo Cluster Based Precise Assembly for Multidimensional Materials","Chemistry of Materials","2017","29","7","2681","","10.1021/acs.chemmater.7b00324","","","1.54178","CuKα","","0.0929","0.0647","","","0.1878","0.2084","","","","","","1.06","","","","has coordinates,has disorder","231525","2020-10-21","18:00:00",""
"4003342","14.802","0.0004","14.9813","0.0005","20.8176","0.0007","72.442","0.003","80.29","0.003","79.364","0.003","4294.1","0.2","293","2","293","2","","","","","","","","8","P -1","-P 1","2","","","","- C54 H88 Br Cu N2 O24 P2 Ti6 -","- C55 H76 Br Cu N2 O24 P2 Ti6 -","- C110 H152 Br2 Cu2 N4 O48 P4 Ti12 -","2","1","","Fang, Wei-Hui; Wang, Jian-Fang; Zhang, Lei; Zhang, Jian","Titanium‒Oxo Cluster Based Precise Assembly for Multidimensional Materials","Chemistry of Materials","2017","29","7","2681","","10.1021/acs.chemmater.7b00324","","","1.54178","CuKα","","0.0824","0.0595","","","0.165","0.1835","","","","","","1.054","","","","has coordinates,has disorder","231525","2020-10-21","18:00:00",""
"4003343","14.814","0.0004","14.9378","0.0008","20.7492","0.001","71.798","0.005","81.023","0.003","79.495","0.003","4264.5","0.4","293","2","293","2","","","","","","","","8","P -1","-P 1","2","","","","- C53 H79 Cu I N2 O24 P2 Ti6 -","- C53 H73 Cu I N2 O24 P2 Ti6 -","- C106 H146 Cu2 I2 N4 O48 P4 Ti12 -","2","1","","Fang, Wei-Hui; Wang, Jian-Fang; Zhang, Lei; Zhang, Jian","Titanium‒Oxo Cluster Based Precise Assembly for Multidimensional Materials","Chemistry of Materials","2017","29","7","2681","","10.1021/acs.chemmater.7b00324","","","0.71073","MoKα","","0.1151","0.066","","","0.1851","0.2094","","","","","","1.029","","","","has coordinates","231525","2020-10-21","18:00:00",""
"4003344","19.8913","0.0004","21.1284","0.0003","19.7411","0.0003","90","","95.314","0.002","90","","8261","0.2","293","2","293","2","","","","","","","","9","P 1 21/c 1","-P 2ybc","14","","","","- C52 H88 Cl2 Cu N2 O26 P2 S2 Ti6 -","- C52 H83 Cl2 Cu N2 O26 P2 S2 Ti6 -","- C208 H332 Cl8 Cu4 N8 O104 P8 S8 Ti24 -","4","1","","Fang, Wei-Hui; Wang, Jian-Fang; Zhang, Lei; Zhang, Jian","Titanium‒Oxo Cluster Based Precise Assembly for Multidimensional Materials","Chemistry of Materials","2017","29","7","2681","","10.1021/acs.chemmater.7b00324","","","1.54178","CuKα","","0.0827","0.0639","","","0.1888","0.2103","","","","","","1.044","","","","has coordinates","231525","2020-10-21","18:00:00",""
"4003345","24.2854","0.001","26.7805","0.0009","12.2991","0.0006","90","","90","","90","","7999","0.6","293","2","293","2","","","","","","","","9","P 21 21 2","P 2 2ab","18","","","","- C52 H88 Br2 Cu2 N2 O26 P2 S2 Ti6 -","- C52 H74 Br2 Cu2 N2 O26 P2 S2 Ti6 -","- C208 H296 Br8 Cu8 N8 O104 P8 S8 Ti24 -","4","1","","Fang, Wei-Hui; Wang, Jian-Fang; Zhang, Lei; Zhang, Jian","Titanium‒Oxo Cluster Based Precise Assembly for Multidimensional Materials","Chemistry of Materials","2017","29","7","2681","","10.1021/acs.chemmater.7b00324","","","1.54178","CuKα","","0.1321","0.0924","","","0.2448","0.2949","","","","","","1.017","","","","has coordinates","231525","2020-10-21","18:00:00",""
"4003346","13.56","0.002","25.683","0.005","26.59","0.005","99.185","0.008","104.314","0.006","104.895","0.006","8421","3","173","2","173","2","","","","","","","","8","P -1","-P 1","2","","","","- C108 H176 Br4 Cu4 N4 O48 P4 Ti12 -","- C108 H159 Br4 Cu4 N4 O48 P4 Ti12 -","- C216 H318 Br8 Cu8 N8 O96 P8 Ti24 -","2","1","","Fang, Wei-Hui; Wang, Jian-Fang; Zhang, Lei; Zhang, Jian","Titanium‒Oxo Cluster Based Precise Assembly for Multidimensional Materials","Chemistry of Materials","2017","29","7","2681","","10.1021/acs.chemmater.7b00324","","","0.71073","MoKα","","0.0935","0.0618","","","0.1672","0.1907","","","","","","1.055","","","","has coordinates","231525","2020-10-21","18:00:00",""
"4003347","13.543","0.003","25.778","0.006","26.753","0.005","98.786","0.011","103.609","0.008","103.991","0.006","8588","3","173","2","173","2","","","","","","","","8","P -1","-P 1","2","","","","- C108 H176 Cu4 I4 N4 O48 P4 Ti12 -","- C108 H152 Cu4 I4 N4 O48 P4 Ti12 -","- C216 H304 Cu8 I8 N8 O96 P8 Ti24 -","2","1","","Fang, Wei-Hui; Wang, Jian-Fang; Zhang, Lei; Zhang, Jian","Titanium‒Oxo Cluster Based Precise Assembly for Multidimensional Materials","Chemistry of Materials","2017","29","7","2681","","10.1021/acs.chemmater.7b00324","","","0.71073","MoKα","","0.1214","0.075","","","0.2006","0.2374","","","","","","1.207","","","","has coordinates","231525","2020-10-21","18:00:00",""
"4003348","13.527","0.003","25.847","0.006","26.657","0.006","98.87","0.01","103.892","0.008","103.725","0.008","8566","3","173","2","173","2","","","","","","","","8","P -1","-P 1","2","","","","- C104 H172 Cu4 I4 N8 O48 P4 Ti12 -","- C104 H151 Cu4 I4 N8 O48 P4 Ti12 -","- C208 H302 Cu8 I8 N16 O96 P8 Ti24 -","2","1","","Fang, Wei-Hui; Wang, Jian-Fang; Zhang, Lei; Zhang, Jian","Titanium‒Oxo Cluster Based Precise Assembly for Multidimensional Materials","Chemistry of Materials","2017","29","7","2681","","10.1021/acs.chemmater.7b00324","","","0.71073","MoKα","","0.1035","0.0789","","","0.2126","0.2277","","","","","","1.08","","","","has coordinates","231525","2020-10-21","18:00:00",""
"4003349","26.733","0.005","26.733","0.005","65.261","0.013","90","","90","","120","","40391","13","293.15","","293","2","","","","","","","","8","R -3 c :H","-R 3 2""c","167","","","","- C168 H276 Cu8 I8 N8 O72 P6 Ti18 -","- C168 H60 Cu8 I8 N8 O72 P6 Ti18 -","- C1008 H360 Cu48 I48 N48 O432 P36 Ti108 -","6","0.166667","","Fang, Wei-Hui; Wang, Jian-Fang; Zhang, Lei; Zhang, Jian","Titanium‒Oxo Cluster Based Precise Assembly for Multidimensional Materials","Chemistry of Materials","2017","29","7","2681","","10.1021/acs.chemmater.7b00324","","","0.71073","MoKα","","0.099","0.0715","","","0.198","0.2216","","","","","","1.055","","","","has coordinates","231525","2020-10-21","18:00:00",""
"4003350","11.2695","0.0006","13.9591","0.0005","21.6342","0.0011","93.356","0.004","94.042","0.004","101.66","0.004","3315.6","0.3","293","2","293","2","","","","","","","","6","P -1","-P 1","2","","","","- C72 H52 Cu4 I4 O2 P4 -","- C72 H52 Cu4 I4 O2 P4 -","- C144 H104 Cu8 I8 O4 P8 -","2","1","","Xie, Mingchen; Han, Chunmiao; Zhang, Jing; Xie, Guohua; Xu, Hui","White Electroluminescent Phosphine-Chelated Copper Iodide Nanoclusters","Chemistry of Materials","2017","29","16","6606","","10.1021/acs.chemmater.7b01443","","","0.71073","MoKα","","0.0829","0.0514","","","0.1228","0.1431","","","","","","1.028","","","","has coordinates","231526","2020-10-21","18:00:00",""
"4032057","19.0544","0.0013","10.7505","0.0008","19.758","0.0014","90","","90","","90","","4047.3","0.5","100","2","100","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C24 H24 N2 O2 S -","- C24 H24 N2 O2 S -","- C192 H192 N16 O16 S8 -","8","1","","Mal, Abhijit; Sayyad, Masthanvali; Wani, Imtiyaz Ahmad; Ghorai, Manas K.","Domino Ring-Opening Cyclization of Activated Aziridines with Indoles: Synthesis of Chiral Hexahydropyrroloindoles.","The Journal of organic chemistry","2017","82","1","4","11","10.1021/acs.joc.6b01731","","","0.71073","MoKα","","0.0863","0.0553","","","0.1335","0.1637","","","","","","1.05","","","","has coordinates","193547","2020-10-21","18:00:00",""
"4032058","16.913","0.007","8.048","0.003","16.567","0.007","90","","98.358","0.007","90","","2231.1","1.6","100","2","100","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C25 H25 Br N2 O2 S -","- C25 H25 Br N2 O2 S -","- C100 H100 Br4 N8 O8 S4 -","4","1","","Mal, Abhijit; Sayyad, Masthanvali; Wani, Imtiyaz Ahmad; Ghorai, Manas K.","Domino Ring-Opening Cyclization of Activated Aziridines with Indoles: Synthesis of Chiral Hexahydropyrroloindoles.","The Journal of organic chemistry","2017","82","1","4","11","10.1021/acs.joc.6b01731","","","0.71073","MoKα","","0.0754","0.0493","","","0.1278","0.1597","","","","","","0.89","","","","has coordinates","193547","2020-10-21","18:00:00",""
"4032073","7.0004","0.001","21.017","0.003","10.9249","0.0017","90","0.0015","100.084","0.0016","90","0.0015","1582.5","0.4","173","2","173","2","","","","","","","","4","P 1 21/a 1","-P 2yab","14","1,2-bis(2-phenyl-1H-indol-3-yl)ethyne_1a","","","- C19 H18 N O2 -","- C19 H18 N O2 -","- C76 H72 N4 O8 -","4","1","","Ishikawa, Rino; Iwasawa, Ryosuke; Takiyama, Yuichiro; Yamauchi, Tomokazu; Iwanaga, Tetsuo; Takezaki, Makoto; Watanabe, Motonori; Teramoto, Naozumi; Shimasaki, Toshiaki; Shibata, Mitsuhiro","Synthesis of 1,2-Bis(2-aryl-1H-indol-3-yl)ethynes via 5-exo-Digonal Double Cyclization Reactions of 1,4-Bis(2-isocyanophenyl)buta-1,3-diyne with Aryl Grignard Reagents.","The Journal of organic chemistry","2017","82","1","652","663","10.1021/acs.joc.6b02668","","","0.7107","MoKα","","0.0489","0.0392","","","0.0952","0.1034","","","","","","1.052","","","","has coordinates","193531","2020-10-21","18:00:00",""
"4032075","14.9261","0.0002","12.3367","0.0001","18.0148","0.0002","90","","107.369","0.001","90","","3165.97","0.06","108.1","","108.1","","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C40 H37 N O5 -","- C40 H37 N O5 -","- C160 H148 N4 O20 -","4","2","","Wang, Chang; Jia, Hao; Zhang, Cheng; Gao, Zhenzhen; Zhou, Leijie; Yuan, Chunhao; Xiao, Yumei; Guo, Hongchao","Phosphine-Catalyzed Enantioselective [2+4] Cycloaddition to Synthesize Pyrrolidin-2-one Fused Dihydropyrans Using α-Substituted Allenoates as C2 Synthons.","The Journal of organic chemistry","2017","82","1","633","641","10.1021/acs.joc.6b02659","","","1.5418","CuKα","","0.0394","0.0378","","","0.0982","0.0999","","","","","","1.026","","","","has coordinates","193548","2020-10-21","18:00:00",""
"4032076","10.2286","0.0004","7.4574","0.0003","18.7761","0.0007","90","","102.144","0.003","90","","1400.17","0.1","173","","173","","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C16 H18 N2 O -","- C16 H18 N2 O -","- C64 H72 N8 O4 -","4","1","","Okugawa, Naoki; Moriyama, Katsuhiko; Togo, Hideo","Introduction of Quinolines and Isoquinolines onto Nonactivated α-C-H Bond of Tertiary Amides through a Radical Pathway.","The Journal of organic chemistry","2017","82","1","170","178","10.1021/acs.joc.6b02303","","","1.54178","CuKα","","0.0725","0.0585","","","0.1522","0.161","","","","","","1.078","","","","has coordinates,has disorder","193533","2020-10-21","18:00:00",""
"4032077","4.5847","0.0002","11.7037","0.0005","29.754","0.003","90","","90","","90","","1596.54","0.19","150","","150","","","","","","","","local","3","P 21 21 21","P 2ac 2ab","19","","","","- C17 H22 O4 -","- C17 H22 O4 -","- C68 H88 O16 -","4","1","","Taher, Ehab S.; Guest, Prue; Benton, Amanda; Ma, Xinghua; Banwell, Martin G.; Willis, Anthony C.; Seiser, Tobias; Newton, Trevor W.; Hutzler, Johannes","The Synthesis of Certain Phomentrioloxin A Analogues and Their Evaluation as Herbicidal Agents.","The Journal of organic chemistry","2017","82","1","211","233","10.1021/acs.joc.6b02372","","","1.5418","CuKα","","0.0789","0.0653","","0.1509","0.1431","0.1509","","","","","","1.0037","","","","has coordinates","193535","2020-10-21","18:00:00",""
"4032078","4.6659","0.0003","11.9898","0.0009","13.673","0.001","90","","90.47","0.004","90","","764.89","0.09","200","","200","","","","","","","","local","3","P 1 21 1","P 2yb","4","","","","- C17 H20 O4 -","- C17 H20 O4 -","- C34 H40 O8 -","2","1","","Taher, Ehab S.; Guest, Prue; Benton, Amanda; Ma, Xinghua; Banwell, Martin G.; Willis, Anthony C.; Seiser, Tobias; Newton, Trevor W.; Hutzler, Johannes","The Synthesis of Certain Phomentrioloxin A Analogues and Their Evaluation as Herbicidal Agents.","The Journal of organic chemistry","2017","82","1","211","233","10.1021/acs.joc.6b02372","","","0.71073","MoKα","","0.0414","0.0356","","0.0832","0.0804","0.0832","","","","","","1.0336","","","","has coordinates","193535","2020-10-21","18:00:00",""
"4032079","4.7176","0.0002","11.731","0.0004","13.7171","0.0006","90","","90.035","0.004","90","","759.13","0.05","150","","150","","","","","","","","local","3","P 1 21 1","P 2yb","4","","","","- C17 H22 O4 -","- C17 H22 O4 -","- C34 H44 O8 -","2","1","","Taher, Ehab S.; Guest, Prue; Benton, Amanda; Ma, Xinghua; Banwell, Martin G.; Willis, Anthony C.; Seiser, Tobias; Newton, Trevor W.; Hutzler, Johannes","The Synthesis of Certain Phomentrioloxin A Analogues and Their Evaluation as Herbicidal Agents.","The Journal of organic chemistry","2017","82","1","211","233","10.1021/acs.joc.6b02372","","","1.5418","CuKα","","0.0802","0.0801","","0.2203","0.2202","0.2203","","","","","","1.0058","","","","has coordinates","193535","2020-10-21","18:00:00",""
"4032080","8.4129","0.0017","18.533","0.004","9.925","0.002","90","","112.62","0.03","90","","1428.4","0.6","293","2","293","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C18 H18 O2 -","- C18 H18 O2 -","- C72 H72 O8 -","4","1","","Harras, Marina; Milius, Wolfgang; Aitken, R. Alan; Schobert, Rainer","Syntheses of Combretastatins D-1, D-2, and D-4 via Ring Contraction by Flash Vacuum Pyrolysis.","The Journal of organic chemistry","2017","82","1","579","587","10.1021/acs.joc.6b02586","","","0.71073","MoKα","","0.2144","0.054","","","0.099","0.1358","","","","","","0.608","","","","has coordinates","193549","2020-10-21","18:00:00",""
"4032081","15.671","0.0007","9.7549","0.0003","28.7604","0.0016","90","","104.987","0.006","90","","4247","0.4","100","2","100","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C24 H24 N2 O5 -","- C24 H24 N2 O5 -","- C192 H192 N16 O40 -","8","4","","Sun, Gui-Jun; Gong, Jun; Kang, Qiang","Chiral Rhodium(III) Complex-Catalyzed Cascade Michael-Alkylation Reactions: Enantioselective Synthesis of Cyclopropanes.","The Journal of organic chemistry","2017","82","1","796","803","10.1021/acs.joc.6b02583","","","1.54184","CuKα","","0.1219","0.1083","","","0.296","0.3083","","","","","","1.072","","","","has coordinates","255262","2020-10-21","18:00:00",""
"4032083","8.6743","0.0016","10.0778","0.0017","22.329","0.003","90","","90","","90","","1952","0.6","200","2","200","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C23 H25 N O2 S -","- C23 H25 N O2 S -","- C92 H100 N4 O8 S4 -","4","1","","Zhong, Chang-Zhi; Tung, Po-Ting; Chao, Tsung-Han; Yeh, Ming-Chang P","Gold-Catalyzed Stereoselective Synthesis of Bicyclic Lactams and Ketones from N-Tosylynamidomethyl-Tethered Cyclohexenes.","The Journal of organic chemistry","2017","82","1","481","501","10.1021/acs.joc.6b02479","","","0.71073","MoKα","","0.1368","0.0582","","","0.0813","0.0992","","","","","","0.982","","","","has coordinates","193538","2020-10-21","18:00:00",""
"4032084","20.988","0.002","10.9938","0.0012","17.5014","0.0019","90","","111.663","0.001","90","","3753","0.7","200","2","200","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C22 H22 F N O2 S -","- C22 H22 F N O2 S -","- C176 H176 F8 N8 O16 S8 -","8","2","","Zhong, Chang-Zhi; Tung, Po-Ting; Chao, Tsung-Han; Yeh, Ming-Chang P","Gold-Catalyzed Stereoselective Synthesis of Bicyclic Lactams and Ketones from N-Tosylynamidomethyl-Tethered Cyclohexenes.","The Journal of organic chemistry","2017","82","1","481","501","10.1021/acs.joc.6b02479","","","0.71073","MoKα","","0.0555","0.0434","","","0.1173","0.1327","","","","","","1.075","","","","has coordinates","193538","2020-10-21","18:00:00",""
"4032085","26.8944","0.001","6.4389","0.0002","12.7221","0.0005","90","","100.463","0.002","90","","2166.46","0.14","200","2","200","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C24 H25 N O6 S -","- C24 H25 N O6 S -","- C96 H100 N4 O24 S4 -","4","1","","Zhong, Chang-Zhi; Tung, Po-Ting; Chao, Tsung-Han; Yeh, Ming-Chang P","Gold-Catalyzed Stereoselective Synthesis of Bicyclic Lactams and Ketones from N-Tosylynamidomethyl-Tethered Cyclohexenes.","The Journal of organic chemistry","2017","82","1","481","501","10.1021/acs.joc.6b02479","","","0.71073","MoKα","","0.0476","0.0361","","","0.0984","0.1057","","","","","","1.035","","","","has coordinates","193538","2020-10-21","18:00:00",""
"4032086","16.9926","0.0004","6.4698","0.0001","18.8075","0.0005","90","","109.766","0.001","90","","1945.85","0.08","200","2","200","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C22 H23 N O4 S -","- C22 H23 N O4 S -","- C88 H92 N4 O16 S4 -","4","1","","Zhong, Chang-Zhi; Tung, Po-Ting; Chao, Tsung-Han; Yeh, Ming-Chang P","Gold-Catalyzed Stereoselective Synthesis of Bicyclic Lactams and Ketones from N-Tosylynamidomethyl-Tethered Cyclohexenes.","The Journal of organic chemistry","2017","82","1","481","501","10.1021/acs.joc.6b02479","","","0.71073","MoKα","","0.0636","0.0471","","","0.1201","0.1313","","","","","","1.055","","","","has coordinates","193538","2020-10-21","18:00:00",""
"4032087","10.034","0.003","9.082","0.003","20.17","0.007","90","","96.018","0.007","90","","1827.9","1","200","2","200","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C22 H23 N O2 S -","- C22 H23 N O2 S -","- C88 H92 N4 O8 S4 -","4","1","","Zhong, Chang-Zhi; Tung, Po-Ting; Chao, Tsung-Han; Yeh, Ming-Chang P","Gold-Catalyzed Stereoselective Synthesis of Bicyclic Lactams and Ketones from N-Tosylynamidomethyl-Tethered Cyclohexenes.","The Journal of organic chemistry","2017","82","1","481","501","10.1021/acs.joc.6b02479","","","0.71073","MoKα","","0.0681","0.0491","","","0.1299","0.1386","","","","","","1.041","","","","has coordinates","193538","2020-10-21","18:00:00",""
"4032088","9.9926","0.0005","14.1265","0.0006","31.0675","0.0015","90","","90","","90","","4385.5","0.4","296","2","296","2","","","","","","","","5","P n a 21","P 2c -2n","33","","","","- C18 H23 N O4 S -","- C18 H23 N O4 S -","- C144 H184 N8 O32 S8 -","8","2","","Zhong, Chang-Zhi; Tung, Po-Ting; Chao, Tsung-Han; Yeh, Ming-Chang P","Gold-Catalyzed Stereoselective Synthesis of Bicyclic Lactams and Ketones from N-Tosylynamidomethyl-Tethered Cyclohexenes.","The Journal of organic chemistry","2017","82","1","481","501","10.1021/acs.joc.6b02479","","","0.71073","MoKα","","0.2378","0.0932","","","0.1816","0.2224","","","","","","0.895","","","","has coordinates,has disorder","193538","2020-10-21","18:00:00",""
"4032089","8.956","0.0007","14.3354","0.0012","17.8668","0.0014","90","","90","","90","","2293.9","0.3","296","2","296","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C28 H27 N O2 S -","- C28 H27 N O2 S -","- C112 H108 N4 O8 S4 -","4","1","","Zhong, Chang-Zhi; Tung, Po-Ting; Chao, Tsung-Han; Yeh, Ming-Chang P","Gold-Catalyzed Stereoselective Synthesis of Bicyclic Lactams and Ketones from N-Tosylynamidomethyl-Tethered Cyclohexenes.","The Journal of organic chemistry","2017","82","1","481","501","10.1021/acs.joc.6b02479","","","0.71073","MoKα","","0.1857","0.0671","","","0.141","0.1951","","","","","","0.862","","","","has coordinates","193538","2020-10-21","18:00:00",""
"4032090","35.628","0.004","7.7768","0.0009","15.986","0.003","90","","105.13","0.004","90","","4275.7","1.1","200","2","200","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C22 H31 N O4 S -","- C22 H31 N O4 S -","- C176 H248 N8 O32 S8 -","8","1","","Zhong, Chang-Zhi; Tung, Po-Ting; Chao, Tsung-Han; Yeh, Ming-Chang P","Gold-Catalyzed Stereoselective Synthesis of Bicyclic Lactams and Ketones from N-Tosylynamidomethyl-Tethered Cyclohexenes.","The Journal of organic chemistry","2017","82","1","481","501","10.1021/acs.joc.6b02479","","","0.71073","MoKα","","0.0758","0.0658","","","0.1895","0.196","","","","","","1.173","","","","has coordinates","193538","2020-10-21","18:00:00",""
"4032091","7.9999","0.0006","10.3733","0.0008","11.7494","0.0009","86.701","0.002","72.034","0.002","86.782","0.002","925.19","0.12","200","2","200","2","","","","","","","","5","P -1","-P 1","2","","","","- C22 H23 N O2 S -","- C22 H23 N O2 S -","- C44 H46 N2 O4 S2 -","2","1","","Zhong, Chang-Zhi; Tung, Po-Ting; Chao, Tsung-Han; Yeh, Ming-Chang P","Gold-Catalyzed Stereoselective Synthesis of Bicyclic Lactams and Ketones from N-Tosylynamidomethyl-Tethered Cyclohexenes.","The Journal of organic chemistry","2017","82","1","481","501","10.1021/acs.joc.6b02479","","","0.71073","MoKα","","0.0553","0.0455","","","0.1328","0.1542","","","","","","1.131","","","","has coordinates","193538","2020-10-21","18:00:00",""
"4032092","7.6259","0.0015","10.43","0.002","17.696","0.004","90","","90","","90","","1407.5","0.5","173","2","173","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C16 H12 F2 N2 O2 -","- C16 H12 F2 N2 O2 -","- C64 H48 F8 N8 O8 -","4","1","","Cai, Shangjun; Lin, Songyun; Yi, Xiangli; Xi, Chanjuan","Substrate-Controlled Transformation of Azobenzenes to Indazoles and Indoles via Rh(III)-Catalysis.","The Journal of organic chemistry","2017","82","1","512","520","10.1021/acs.joc.6b02548","","","0.71073","MoKα","","0.0374","0.0369","","","0.0883","0.0887","","","","","","1.053","","","","has coordinates","193544","2020-10-21","18:00:00",""
"4032093","5.9753","0.0016","26.495","0.008","29.833","0.009","90","","90","","90","","4723","2","100","2","100","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C48 H41 Br3 N10 O9 -","- C48 H41 Br3 N10 O9 -","- C192 H164 Br12 N40 O36 -","4","1","","Ma, Zhiqiang; You, Lin; Chen, Chuo","Stereocontrolled Formation of a [4.4]Heterospiro Ring System with Unexpected Inversion of Configuration at the Spirocenter.","The Journal of organic chemistry","2017","82","1","731","736","10.1021/acs.joc.6b02266","","","0.71075","MoKα","","0.0992","0.0855","","","0.1433","0.1492","","","","","","1.201","","","","has coordinates","193540","2020-10-21","18:00:00",""
"4032094","8.3581","0.0006","11.1996","0.0008","15.9048","0.001","90","","90","","90","","1488.81","0.18","100","2","100","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C20 H16 O2 -","- C20 H16 O2 -","- C80 H64 O8 -","4","1","","Peraino, Nicholas J.; Kaster, Sven H.; Wheeler, Kraig A.; Kerrigan, Nessan J.","Asymmetric Synthesis of γ-Lactones through Koga Amine-Controlled Addition of Enediolates to α,β-Unsaturated Sulfoxonium Salts.","The Journal of organic chemistry","2017","82","1","606","615","10.1021/acs.joc.6b02622","","","1.54178","CuKα","","0.0298","0.0281","","","0.0681","0.069","","","","","","1.094","","","","has coordinates","193534","2020-10-21","18:00:00",""
"4032095","22.883","0.007","12.0629","0.0012","15.901","0.005","90","","132.43","0.05","90","","3240","3","123","2","123","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C30 H22 Cl6 N4 O2 Se2 -","- C30 H22 Cl6 N4 O2 Se2 -","- C120 H88 Cl24 N16 O8 Se8 -","4","0.5","","Singh, Vijay P.; Poon, Jia-Fei; Yan, Jiajie; Lu, Xi; Ott, Marjam Karlsson; Butcher, Ray J.; Gates, Paul J.; Engman, Lars","Nitro-, Azo-, and Amino Derivatives of Ebselen: Synthesis, Structure, and Cytoprotective Effects.","The Journal of organic chemistry","2017","82","1","313","321","10.1021/acs.joc.6b02418","","","0.71073","MoKα","","0.1291","0.0707","","","0.1422","0.1754","","","","","","1.05","","","","has coordinates","193536","2020-10-21","18:00:00",""
"4032096","8.9772","0.0002","26.5501","0.0005","10.9101","0.0003","90","","96.2","0.002","90","","2585.16","0.1","123","2","123","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C28 H26 N4 O2 Se2 -","- C28 H26 N4 O2 Se2 -","- C112 H104 N16 O8 Se8 -","4","1","","Singh, Vijay P.; Poon, Jia-Fei; Yan, Jiajie; Lu, Xi; Ott, Marjam Karlsson; Butcher, Ray J.; Gates, Paul J.; Engman, Lars","Nitro-, Azo-, and Amino Derivatives of Ebselen: Synthesis, Structure, and Cytoprotective Effects.","The Journal of organic chemistry","2017","82","1","313","321","10.1021/acs.joc.6b02418","","","0.71073","MoKα","","0.0981","0.0543","","","0.0813","0.0921","","","","","","1.069","","","","has coordinates","193536","2020-10-21","18:00:00",""
"4032097","7.7553","0.0006","9.9664","0.0007","12.7439","0.001","96.96","0.009","91.765","0.01","107.208","0.009","931.67","0.13","291","2","291","2","","","","","","","","3","P -1","-P 1","2","","","","- C23 H22 N4 -","- C23 H22 N4 -","- C46 H44 N8 -","2","1","","Gers-Panther, Charlotte F; Fischer, Henry; Nordmann, Jan; Seiler, Theresa; Behnke, Thomas; Würth, Christian; Frank, Walter; Resch-Genger, Ute; Müller, Thomas J J","Four- and Five-Component Syntheses and Photophysical Properties of Emission Solvatochromic 3-Aminovinylquinoxalines.","The Journal of organic chemistry","2017","82","1","567","578","10.1021/acs.joc.6b02581","","","0.71073","MoKα","","0.0606","0.0491","","","0.132","0.139","","","","","","0.956","","","","has coordinates","193543","2020-10-21","18:00:00",""
"4032098","9.2902","0.0009","18.1269","0.0013","9.1449","0.0006","90","","90","","90","","1540","0.2","152.01","0.1","152.01","0.1","","","","","","","","4","P n a 21","P 2c -2n","33","","","","- C21 H17 N O -","- C21 H17 N O -","- C84 H68 N4 O4 -","4","1","","Zhou, Qi; Zhang, Zhikun; Zhou, Yujing; Li, Shichao; Zhang, Yan; Wang, Jianbo","Palladium-Catalyzed Synthesis of Indoles and Isoquinolines with in Situ Generated Phosphinimine.","The Journal of organic chemistry","2017","82","1","48","56","10.1021/acs.joc.6b01864","","","0.71073","MoKα","","0.0948","0.0678","","","0.1467","0.1659","","","","","","1.06","","","","has coordinates","193537","2020-10-21","18:00:00",""
"4032099","25.807","0.003","16.852","0.003","13.031","0.0014","90","","112.568","0.003","90","","5233.2","1.3","293","2","293","2","","","","","","","","4","C 1 2 1","C 2y","5","","","","- C55.5 H81 N2 O8.5 -","- C55.5 H81 N2 O8.5 -","- C222 H324 N8 O34 -","4","1","","Shi, Yong; Jiang, Xiao-Ling; Tian, Wei-Sheng","Synthesis of 12,12'-azo-13,13'-diepi-Ritterazine N.","The Journal of organic chemistry","2017","82","1","269","275","10.1021/acs.joc.6b02391","","","0.71073","MoKα","","0.0817","0.0666","","","0.1738","0.1878","","","","","","1.015","","","","has coordinates","193530","2020-10-21","18:00:00",""
"4032100","11.751","0.007","16.267","0.009","12.438","0.007","90","","99.143","0.008","90","","2347","2","296","2","296.15","","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C25 H25 N O5 S -","- C25 H25 N O5 S -","- C100 H100 N4 O20 S4 -","4","1","","Jiang, Jin; Liu, Hui; Lu, Chong-Dao; Xu, Yan-Jun","P(NMe2)3-Mediated Aziridination of Imines with α-Ketoesters for Synthesis of Aziridine-2-carboxylates.","The Journal of organic chemistry","2017","82","1","811","818","10.1021/acs.joc.6b02669","","","0.71073","MoKα","","0.1215","0.0517","","","0.1159","0.1451","","","","","","0.999","","","","has coordinates","193532","2020-10-21","18:00:00",""
"4032101","8.702","0.003","19.376","0.006","18.853","0.006","90","","97.275","0.004","90","","3153.2","1.8","110.15","","110.15","","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C37 H35 N2 O2 P Pd -","- C37 H35 N2 O2 P Pd -","- C148 H140 N8 O8 P4 Pd4 -","4","1","","Vignesh, Arumugam; Bhuvanesh, Nattamai S. P.; Dharmaraj, Nallasamy","Conversion of Arylboronic Acids to Tetrazoles Catalyzed by ONO Pincer-Type Palladium Complex.","The Journal of organic chemistry","2017","82","2","887","892","10.1021/acs.joc.6b02277","","","0.71073","MoKα","","0.0983","0.0584","","","0.0982","0.1133","","","","","","1.065","","","","has coordinates,has disorder","193581","2020-10-21","18:00:00",""
"4032102","7.3744","0.0009","9.888","0.002","12.55","0.003","92.519","0.017","100.158","0.015","107.744","0.016","853.3","0.3","295","","295","","","","","","","","","3","P -1","-P 1","2","","","","- C20 H22 N4 -","- C20 H22 N4 -","- C40 H44 N8 -","2","1","","Shinde, Anand H.; Arepally, Sagar; Baravkar, Mayur D.; Sharada, Duddu S.","Nickel-Catalyzed Aerobic Oxidative Isocyanide Insertion: Access to Benzimidazoquinazoline Derivatives via a Sequential Double Annulation Cascade (SDAC) Strategy.","The Journal of organic chemistry","2017","82","1","331","342","10.1021/acs.joc.6b02423","","","0.71073","MoKα","","0.112","0.0678","","","0.1565","0.189","","","","","","1.0914","","","","has coordinates","193541","2020-10-21","18:00:00",""
"4032103","10.2941","0.0003","18.8657","0.0005","10.2215","0.0003","90","","90","","90","","1985.07","0.1","296","2","296","2","","","","","","","","4","P n a 21","P 2c -2n","33","S1480","","","- C25 H16 N O3 -","- C25 H16 N O3 -","- C100 H64 N4 O12 -","4","1","","Sharma, Satyasheel; Oh, Yongguk; Mishra, Neeraj Kumar; De, Umasankar; Jo, Hyeim; Sachan, Richa; Kim, Hyung Sik; Jung, Young Hoon; Kim, In Su","Rhodium-Catalyzed [3 + 2] Annulation of Cyclic N-Acyl Ketimines with Activated Olefins: Anticancer Activity of Spiroisoindolinones.","The Journal of organic chemistry","2017","82","7","3359","3367","10.1021/acs.joc.6b02708","","","0.71073","","","0.0723","0.0596","","","0.165","0.1749","","","","","","1.033","","","","has coordinates,has disorder","196148","2020-10-21","18:00:00",""
"4032104","6.56614","0.00012","12.6523","0.0002","16.1928","0.0003","90","","90","","90","","1345.25","0.04","100","2","100","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C12 H15 N5 O6 -","- C12 H15 N5 O6 -","- C48 H60 N20 O24 -","4","1","","Mitsuoka, Yasunori; Yamamoto, Tsuyoshi; Kugimiya, Akira; Waki, Reiko; Wada, Fumito; Tahara, Saori; Sawamura, Motoki; Noda, Mio; Fujimura, Yuko; Kato, Yuki; Hari, Yoshiyuki; Obika, Satoshi","Triazole- and Tetrazole-Bridged Nucleic Acids: Synthesis, Duplex Stability, Nuclease Resistance, and in Vitro and in Vivo Antisense Potency.","The Journal of organic chemistry","2017","82","1","12","24","10.1021/acs.joc.6b02417","","","1.54187","CuKα","","0.028","0.0269","","","0.0667","0.0678","","","","","","1.097","","","","has coordinates","193542","2020-10-21","18:00:00",""
"4032105","6.53502","0.00016","12.7185","0.0003","16.1657","0.0004","90","","90","","90","","1343.62","0.06","100","2","100","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C11 H14 N6 O6 -","- C11 H14 N6 O6 -","- C44 H56 N24 O24 -","4","1","","Mitsuoka, Yasunori; Yamamoto, Tsuyoshi; Kugimiya, Akira; Waki, Reiko; Wada, Fumito; Tahara, Saori; Sawamura, Motoki; Noda, Mio; Fujimura, Yuko; Kato, Yuki; Hari, Yoshiyuki; Obika, Satoshi","Triazole- and Tetrazole-Bridged Nucleic Acids: Synthesis, Duplex Stability, Nuclease Resistance, and in Vitro and in Vivo Antisense Potency.","The Journal of organic chemistry","2017","82","1","12","24","10.1021/acs.joc.6b02417","","","1.54187","CuKα","","0.0735","0.0573","","","0.1303","0.1559","","","","","","1.135","","","","has coordinates","193542","2020-10-21","18:00:00",""
"4032106","20.774","0.005","29.8","0.008","30.233","0.008","90","","108.12","0.004","90","","17788","8","120","2","120","2","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","","","- C60 H54 N4 -","- C60 H54 N4 -","- C840 H756 N56 -","14","3.5","","Saegusa, Yuta; Ishizuka, Tomoya; Shiota, Yoshihito; Yoshizawa, Kazunari; Kojima, Takahiko","Acid-Base Properties of a Freebase Form of a Quadruply Ring-Fused Porphyrin-Stepwise Protonation Induced by Rigid Ring-Fused Structure.","The Journal of organic chemistry","2017","82","1","322","330","10.1021/acs.joc.6b02419","","","0.71073","MoKα","","0.1244","0.0911","","","0.2185","0.2331","","","","","","1.081","","","","has coordinates","275206","2022-05-07","03:38:22",""
"4032107","6.4258","0.001","9.9859","0.0007","10.2112","0.0012","90","","107.515","0.015","90","","624.85","0.14","293","2","293","2","","","","","","","","3","P 1 n 1","P -2yac","7","","","","- C16 H16 O2 -","- C16 H16 O2 -","- C32 H32 O4 -","2","1","","D'yakonov, Vladimir A.; Kadikova, Gulnara N.; Dzhemileva, Lilya U.; Gazizullina, Guzel F.; Ramazanov, Ilfir R.; Dzhemilev, Usein M.","Cobalt-Catalyzed [6 + 2] Cycloaddition of Alkynes with 1,3,5,7-Cyclooctatetraene as a Key Element in the Direct Construction of Substituted Bicyclo[4.3.1]decanes.","The Journal of organic chemistry","2017","82","1","471","480","10.1021/acs.joc.6b02540","","x-ray","0.71073","MoKα","","0.035","0.0328","","","0.0873","0.0902","","","","","","0.924","","","","has coordinates","193545","2020-10-21","18:00:00",""
"4032108","33.509","0.004","13.9343","0.0014","20.097","0.003","90","","126.247","0.006","90","","7567.8","1.7","100","2","100.15","","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C84 H62 Cl4 F10 N4 S4 -","- C84 H62 Cl4 F10 N4 S4 -","- C336 H248 Cl16 F40 N16 S16 -","4","0.5","","Mallick, Abhijit; Oh, Juwon; Majewski, Marcin A.; Stępień, Marcin; Kim, Dongho; Rath, Harapriya","Protonation Dependent Topological Dichotomy of Core Modified Hexaphyrins: Synthesis, Characterization, and Excited State Dynamics.","The Journal of organic chemistry","2017","82","1","556","566","10.1021/acs.joc.6b02576","","","0.71073","MoKα","","0.164","0.0856","","","0.2279","0.2921","","","","","","1.054","","","","has coordinates","193539","2020-10-21","18:00:00",""
"4032109","13.0609","0.0014","14.0494","0.0016","22.454","0.003","77.832","0.003","75.363","0.003","85.051","0.003","3894.6","0.8","100","","100","","","","","","","","","3","P -1","-P 1","2","","","","- C51 H40 Cl2 -","- C51 H40 Cl2 -","- C204 H160 Cl8 -","4","2","","Zhu, Chongwei; Rives, Arnaud; Duhayon, Carine; Maraval, Valérie; Chauvin, Remi","Lipidic Carbo-benzenes: Molecular Probes of Magnetic Anisotropy and Stacking Properties of α-Graphyne.","The Journal of organic chemistry","2017","82","2","925","935","10.1021/acs.joc.6b02397","","","0.71073","MoKα","","0.0907","0.0672","","0.1223","0.0639","0.0603","","","","","","1.09","","","","has coordinates","193584","2020-10-21","18:00:00",""
"4032110","16.195","0.002","19.407","0.003","20.992","0.003","69.639","0.004","68.618","0.004","82.046","0.004","5759.2","1.4","100","","100","","","","","","","","","3","P -1","-P 1","2","","","","- C50.67 H39.33 Cl1.33 -","- C50.6667 H39.3333 Cl1.33333 -","- C304 H236 Cl8 -","6","3","","Zhu, Chongwei; Rives, Arnaud; Duhayon, Carine; Maraval, Valérie; Chauvin, Remi","Lipidic Carbo-benzenes: Molecular Probes of Magnetic Anisotropy and Stacking Properties of α-Graphyne.","The Journal of organic chemistry","2017","82","2","925","935","10.1021/acs.joc.6b02397","","","0.71073","MoKα","","0.1088","0.091","","0.1396","0.0871","0.0836","","","","","","0.9597","","","","has coordinates","193584","2020-10-21","18:00:00",""
"4032111","10.72","0.0005","45.197","0.002","12.0719","0.0005","90","","114.696","0.0014","90","","5314","0.4","100","","100","","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C64 H66 Cl4 -","- C64 H66 Cl4 -","- C256 H264 Cl16 -","4","1","","Zhu, Chongwei; Rives, Arnaud; Duhayon, Carine; Maraval, Valérie; Chauvin, Remi","Lipidic Carbo-benzenes: Molecular Probes of Magnetic Anisotropy and Stacking Properties of α-Graphyne.","The Journal of organic chemistry","2017","82","2","925","935","10.1021/acs.joc.6b02397","","","0.71073","MoKα","","0.0892","0.0542","","0.0896","0.0477","0.0408","","","","","","1.1049","","","","has coordinates","193584","2020-10-21","18:00:00",""
"4032112","16.8971","0.001","6.0972","0.0004","16.0454","0.001","90","","106.609","0.0017","90","","1584.1","0.17","100","","100","","","","","","","","","2","P 1 21/c 1","-P 2ybc","14","","","","- C46 H30 -","- C46 H30 -","- C92 H60 -","2","0.5","","Zhu, Chongwei; Rives, Arnaud; Duhayon, Carine; Maraval, Valérie; Chauvin, Remi","Lipidic Carbo-benzenes: Molecular Probes of Magnetic Anisotropy and Stacking Properties of α-Graphyne.","The Journal of organic chemistry","2017","82","2","925","935","10.1021/acs.joc.6b02397","","","0.71073","MoKα","","0.0838","0.0549","","0.0991","0.0547","0.0508","","","","","","1.0846","","","","has coordinates","193584","2020-10-21","18:00:00",""
"4032113","13.1786","0.0005","13.3182","0.0005","14.4208","0.0006","92.0053","0.0016","110.536","0.0015","91.6484","0.0016","2366.5","0.16","100","","100","","","","","","","","","3","P -1","-P 1","2","","","","- C59 H55 Cl3 -","- C59 H55 Cl3 -","- C118 H110 Cl6 -","2","1","","Zhu, Chongwei; Rives, Arnaud; Duhayon, Carine; Maraval, Valérie; Chauvin, Remi","Lipidic Carbo-benzenes: Molecular Probes of Magnetic Anisotropy and Stacking Properties of α-Graphyne.","The Journal of organic chemistry","2017","82","2","925","935","10.1021/acs.joc.6b02397","","","0.71073","MoKα","","0.0621","0.041","","0.0801","0.0431","0.0408","","","","","","1.0599","","","","has coordinates","193584","2020-10-21","18:00:00",""
"4032114","18.391","0.003","5.5876","0.0009","26.892","0.005","90","","90.19","0.006","90","","2763.4","0.8","193","","193","","","","","","","","","2","P 1 21/n 1","-P 2yn","14","","","","- C70 H78 -","- C70 H78 -","- C140 H156 -","2","0.5","","Zhu, Chongwei; Rives, Arnaud; Duhayon, Carine; Maraval, Valérie; Chauvin, Remi","Lipidic Carbo-benzenes: Molecular Probes of Magnetic Anisotropy and Stacking Properties of α-Graphyne.","The Journal of organic chemistry","2017","82","2","925","935","10.1021/acs.joc.6b02397","","","0.71073","MoKα","","0.1729","0.0564","","0.1638","0.0532","0.0475","","","","","","1.047","","","","has coordinates","193584","2020-10-21","18:00:00",""
"4032115","12.3283","0.0009","17.541","0.0013","18.7671","0.0013","70.412","0.002","89.193","0.002","70.98","0.002","3594.1","0.5","100","","100","","","","","","","","","3","P -1","-P 1","2","","","","- C84 H106 Cl4 -","- C84 H106 Cl4 -","- C168 H212 Cl8 -","2","1","","Zhu, Chongwei; Rives, Arnaud; Duhayon, Carine; Maraval, Valérie; Chauvin, Remi","Lipidic Carbo-benzenes: Molecular Probes of Magnetic Anisotropy and Stacking Properties of α-Graphyne.","The Journal of organic chemistry","2017","82","2","925","935","10.1021/acs.joc.6b02397","","","0.71073","MoKα","","0.2517","0.0978","","0.314","0.085","0.0644","","","","","","1.0472","","","","has coordinates","193584","2020-10-21","18:00:00",""
"4032116","10.5493","0.0007","12.2119","0.0008","16.3716","0.0012","76.044","0.004","78.422","0.004","64.554","0.003","1836.9","0.2","100","","100","","","","","","","","","3","P -1","-P 1","2","","","","- C84 H104 Cl6 -","- C84 H104 Cl6 -","- C84 H104 Cl6 -","1","0.5","","Zhu, Chongwei; Rives, Arnaud; Duhayon, Carine; Maraval, Valérie; Chauvin, Remi","Lipidic Carbo-benzenes: Molecular Probes of Magnetic Anisotropy and Stacking Properties of α-Graphyne.","The Journal of organic chemistry","2017","82","2","925","935","10.1021/acs.joc.6b02397","","","0.71073","MoKα","","0.0775","0.0507","","0.0919","0.046","0.0399","","","","","","1.0871","","","","has coordinates","193584","2020-10-21","18:00:00",""
"4032117","14.7492","0.0005","30.0592","0.001","47.2671","0.0014","90","","94.95","0.003","90","","20877.7","1.2","293","","293","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C49.05 Cl0.42 F21.89 O0.21 -","- C49.0526 Cl0.421053 F21.8947 O0.210526 -","- C932 Cl8 F416 O4 -","19","4.75","","Zhu, Chongwei; Rives, Arnaud; Duhayon, Carine; Maraval, Valérie; Chauvin, Remi","Lipidic Carbo-benzenes: Molecular Probes of Magnetic Anisotropy and Stacking Properties of α-Graphyne.","The Journal of organic chemistry","2017","82","2","925","935","10.1021/acs.joc.6b02397","","","0.71073","MoKα","","0.409","0.3367","","0.5549","0.3513","0.3384","","","","","","2.0267","","","","has coordinates","193584","2020-10-21","18:00:00",""
"4032118","18.7663","0.0013","16.4529","0.0006","9.1","0.0006","90","","123.702","0.01","90","","2337.5","0.4","100","2","100","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C58 H52 N4 O6 -","- C58 H52 N4 O6 -","- C116 H104 N8 O12 -","2","0.5","","Filatov, Alexander S.; Knyazev, Nickolay A.; Molchanov, Alexander P.; Panikorovsky, Taras L.; Kostikov, Rafael R.; Larina, Anna G.; Boitsov, Vitali M.; Stepakov, Alexander V.","Synthesis of Functionalized 3-Spiro[cyclopropa[a]pyrrolizine]- and 3-Spiro[3-azabicyclo[3.1.0]hexane]oxindoles from Cyclopropenes and Azomethine Ylides via [3 + 2]-Cycloaddition.","The Journal of organic chemistry","2017","82","2","959","975","10.1021/acs.joc.6b02505","","","0.71073","MoKα","","0.0633","0.0505","","","0.1256","0.1377","","","","","","1.03","","","","has coordinates","193585","2020-10-21","18:00:00",""
"4032119","11.15402","0.00015","17.9078","0.0003","12.87201","0.0002","90","","95.1831","0.0013","90","","2560.59","0.07","100","2","100","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C34 H32 N2 O -","- C34 H32 N2 O -","- C136 H128 N8 O4 -","4","1","","Filatov, Alexander S.; Knyazev, Nickolay A.; Molchanov, Alexander P.; Panikorovsky, Taras L.; Kostikov, Rafael R.; Larina, Anna G.; Boitsov, Vitali M.; Stepakov, Alexander V.","Synthesis of Functionalized 3-Spiro[cyclopropa[a]pyrrolizine]- and 3-Spiro[3-azabicyclo[3.1.0]hexane]oxindoles from Cyclopropenes and Azomethine Ylides via [3 + 2]-Cycloaddition.","The Journal of organic chemistry","2017","82","2","959","975","10.1021/acs.joc.6b02505","","x-ray","1.54184","CuKα","","0.0447","0.0398","","","0.0989","0.1028","","","","","","1.025","","","","has coordinates","193585","2020-10-21","18:00:00",""
"4032120","8.11","0.0003","21.2864","0.001","17.7101","0.0003","90","","113.8","0.05","90","","2797.3","1.1","100","2","100","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C38 H33 N2 O -","- C38 H33 N2 O -","- C152 H132 N8 O4 -","4","1","","Filatov, Alexander S.; Knyazev, Nickolay A.; Molchanov, Alexander P.; Panikorovsky, Taras L.; Kostikov, Rafael R.; Larina, Anna G.; Boitsov, Vitali M.; Stepakov, Alexander V.","Synthesis of Functionalized 3-Spiro[cyclopropa[a]pyrrolizine]- and 3-Spiro[3-azabicyclo[3.1.0]hexane]oxindoles from Cyclopropenes and Azomethine Ylides via [3 + 2]-Cycloaddition.","The Journal of organic chemistry","2017","82","2","959","975","10.1021/acs.joc.6b02505","","","0.71073","MoKα","","0.0505","0.0426","","","0.1004","0.1056","","","","","","1.032","","","","has coordinates","193585","2020-10-21","18:00:00",""
"4032121","10.5975","0.0003","13.6912","0.0003","20.7918","0.0005","90","","96.98","0.003","90","","2994.38","0.13","100","2","100","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C40 H34 N2 O -","- C40 H34 N2 O -","- C160 H136 N8 O4 -","4","1","","Filatov, Alexander S.; Knyazev, Nickolay A.; Molchanov, Alexander P.; Panikorovsky, Taras L.; Kostikov, Rafael R.; Larina, Anna G.; Boitsov, Vitali M.; Stepakov, Alexander V.","Synthesis of Functionalized 3-Spiro[cyclopropa[a]pyrrolizine]- and 3-Spiro[3-azabicyclo[3.1.0]hexane]oxindoles from Cyclopropenes and Azomethine Ylides via [3 + 2]-Cycloaddition.","The Journal of organic chemistry","2017","82","2","959","975","10.1021/acs.joc.6b02505","","","0.71073","MoKα","","0.05","0.0401","","","0.0935","0.0994","","","","","","1.014","","","","has coordinates","193585","2020-10-21","18:00:00",""
"4032122","10.8401","0.0012","7.0137","0.0008","11.9424","0.0015","90","","90","","90","","907.97","0.18","150","2","150","2","","","","","","","","5","P n m a","-P 2ac 2n","62","","","","- C8 H5 Br I N -","- C8 H5 Br I N -","- C32 H20 Br4 I4 N4 -","4","0.5","","Das, Riki; Kapur, Manmohan","Palladium-Catalyzed, ortho-Selective C-H Halogenation of Benzyl Nitriles, Aryl Weinreb Amides, and Anilides.","The Journal of organic chemistry","2017","82","2","1114","1126","10.1021/acs.joc.6b02731","","","0.71073","MoKα","","0.0393","0.0315","","","0.1127","0.1196","","","","","","0.976","","","","has coordinates","193580","2020-10-21","18:00:00",""
"4032123","13.3403","0.0016","5.1091","0.0006","18.453","0.002","90","","109.944","0.004","90","","1182.3","0.2","293","2","293","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C12 H8 F N3 S2 -","- C12 H8 F N3 S2 -","- C48 H32 F4 N12 S8 -","4","1","","Wang, Chenxi; Cai, Juewang; Zhang, Min; Zhao, Xiaoming","Ag-Assisted Fluorination of Unprotected 4,6-Disubstituted 2-Aminopyrimidines with Selectfluor.","The Journal of organic chemistry","2017","82","2","1260","1265","10.1021/acs.joc.6b02624","","","0.71073","MoKα","","0.0888","0.0511","","","0.1099","0.1242","","","","","","1.052","","","","has coordinates,has disorder","193578","2020-10-21","18:00:00",""
"4032124","14.975","0.006","18.45","0.008","12.193","0.005","90","","121.277","0.005","90","","2879","2","293","2","293","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C17 H14 F N3 -","- C17 H14 F N3 -","- C136 H112 F8 N24 -","8","1","","Wang, Chenxi; Cai, Juewang; Zhang, Min; Zhao, Xiaoming","Ag-Assisted Fluorination of Unprotected 4,6-Disubstituted 2-Aminopyrimidines with Selectfluor.","The Journal of organic chemistry","2017","82","2","1260","1265","10.1021/acs.joc.6b02624","","","0.71073","MoKα","","0.1113","0.0614","","","0.1549","0.1717","","","","","","0.86","","","","has coordinates,has disorder","193578","2020-10-21","18:00:00",""
"4032125","6.3021","0.0006","15.8764","0.0019","9.4266","0.0011","90","","103.133","0.012","90","","918.51","0.18","294.73","0.1","294.73","0.1","","","","","","","","3","P 1 21 1","P 2yb","4","","","","- C21 H22 O5 -","- C21 H22 O5 -","- C42 H44 O10 -","2","1","","Luo, Yong-Chun; Ma, He; Hu, Xiu-Qin; Xu, Peng-Fei","Sc(OTf)3 Catalyzed [4 + 2]-Annulation Reaction between Electron-Rich Phenols and Donor-Acceptor Cyclopropanes: Synthesis of Polysubstituted Dihydronaphthols.","The Journal of organic chemistry","2017","82","2","1013","1023","10.1021/acs.joc.6b02566","","x-ray","1.54184","CuKα","","0.0622","0.0497","","","0.1207","0.1441","","","","","","1.103","","","","has coordinates","193579","2020-10-21","18:00:00",""
"4032126","4.8642","0.0008","21.195","0.003","19.918","0.004","90","","94.449","0.008","90","","2047.3","0.6","200","2","200","2","","","","","","","","5","C 1 c 1","C -2yc","9","","","","- C24 H17 Cl3 N2 O -","- C24 H17 Cl3 N2 O -","- C96 H68 Cl12 N8 O4 -","4","1","","Bongers, Amanda; Clavette, Christian; Gan, Wei; Gorelsky, Serge I.; Betit, Lyanne; Lavergne, Kaitlyn; Markiewicz, Thomas; Moon, Patrick J.; Das Neves, Nicolas; Obhi, Nimrat K.; Toderian, Amy B.; Beauchemin, André M","Intermolecular Aminocarbonylation of Alkenes using Concerted Cycloadditions of Iminoisocyanates.","The Journal of organic chemistry","2017","82","2","1175","1194","10.1021/acs.joc.6b02713","","","0.71073","MoKα","","0.1406","0.0666","","","0.123","0.1463","","","","","","1.073","","","","has coordinates","193576","2020-10-21","18:00:00",""
"4032127","7.8494","0.0002","11.18","0.0003","12.5458","0.0003","106.824","0.001","98.571","0.001","109.145","0.001","958.65","0.04","200","2","200","2","","","","","","","","4","P -1","-P 1","2","","","","- C25 H22 N2 O2 -","- C25 H22 N2 O2 -","- C50 H44 N4 O4 -","2","1","","Bongers, Amanda; Clavette, Christian; Gan, Wei; Gorelsky, Serge I.; Betit, Lyanne; Lavergne, Kaitlyn; Markiewicz, Thomas; Moon, Patrick J.; Das Neves, Nicolas; Obhi, Nimrat K.; Toderian, Amy B.; Beauchemin, André M","Intermolecular Aminocarbonylation of Alkenes using Concerted Cycloadditions of Iminoisocyanates.","The Journal of organic chemistry","2017","82","2","1175","1194","10.1021/acs.joc.6b02713","","","0.71073","MoKα","","0.0471","0.0379","","","0.0987","0.1047","","","","","","1.045","","","","has coordinates","193576","2020-10-21","18:00:00",""
"4032128","4.9314","0.0003","9.9036","0.0007","13.2788","0.001","97.898","0.006","91.398","0.006","102.64","0.006","625.8","0.08","173.15","","173.15","","","","","","","","","4","P -1","-P 1","2","","","","- C12 H20 N2 O2 -","- C12 H20 N2 O2 -","- C24 H40 N4 O4 -","2","1","","Zhu, Qiuhua; Ye, Ziwei; Yang, Weijie; Cai, Xiaotie; Tang, Ben Zhong","One-Pot Synthesis and Structure-Property Relationship of Aminomaleimides: Fluorescence Efficiencies in Monomers and Aggregates Easily Tuned by Switch of Aryl and Alkyl.","The Journal of organic chemistry","2017","82","2","1096","1104","10.1021/acs.joc.6b02706","","","1.54178","CuKα","","0.0508","0.0459","","","0.1284","0.1364","","","","","","1.034","","","","has coordinates","193577","2020-10-21","18:00:00",""
"4032129","18.8598","0.0012","6.0858","0.0005","9.8418","0.0006","90","","95.853","0.006","90","","1123.72","0.14","293","2","293","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C12 H12 N4 O -","- C12 H12 N4 O -","- C48 H48 N16 O4 -","4","1","","Aruri, Hariprasad; Singh, Umed; Kumar, Mukesh; Sharma, Sumit; Aithagani, Sravan Kumar; Gupta, Vivek K.; Mignani, Serge; Vishwakarma, Ram A.; Singh, Parvinder Pal","Metal-free Cross-Dehydrogenative Coupling of HN-azoles with α-C(sp(3))-H Amides via C-H Activation and Its Mechanistic and Application Studies.","The Journal of organic chemistry","2017","82","2","1000","1012","10.1021/acs.joc.6b02448","","","0.71073","MoKα","","0.0668","0.0473","","","0.1166","0.1318","","","","","","1.077","","","","has coordinates","193583","2020-10-21","18:00:00",""
"4032130","9.2268","0.0006","10.1429","0.0005","19.5322","0.0014","90","","100.626","0.006","90","","1796.6","0.2","293","2","293","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C22 H19 N3 O -","- C22 H19 N3 O -","- C88 H76 N12 O4 -","4","1","","Aruri, Hariprasad; Singh, Umed; Kumar, Mukesh; Sharma, Sumit; Aithagani, Sravan Kumar; Gupta, Vivek K.; Mignani, Serge; Vishwakarma, Ram A.; Singh, Parvinder Pal","Metal-free Cross-Dehydrogenative Coupling of HN-azoles with α-C(sp(3))-H Amides via C-H Activation and Its Mechanistic and Application Studies.","The Journal of organic chemistry","2017","82","2","1000","1012","10.1021/acs.joc.6b02448","","","0.71073","MoKα","","0.0627","0.0428","","","0.0899","0.1025","","","","","","1.052","","","","has coordinates","193583","2020-10-21","18:00:00",""
"4032131","8.9705","0.0004","9.4409","0.0007","10.5838","0.0007","96.267","0.006","111.946","0.005","99.63","0.005","805.1","0.1","293","2","293","2","","","","","","","","4","P -1","-P 1","2","","","","- C19 H18 O4 S -","- C19 H18 O4 S -","- C38 H36 O8 S2 -","2","1","","Wu, Wanqing; Yi, Songjian; Yu, Yue; Huang, Wei; Jiang, Huanfeng","Synthesis of Sulfonylated Lactones via Ag-Catalyzed Cascade Sulfonylation/Cyclization of 1,6-Enynes with Sodium Sulfinates.","The Journal of organic chemistry","2017","82","2","1224","1230","10.1021/acs.joc.6b02416","","","1.54178","CuKα","","0.0479","0.0408","","","0.0994","0.105","","","","","","1.05","","","","has coordinates","193582","2020-10-21","18:00:00",""
"4032132","10.2235","0.0003","7.176","0.0002","21.8858","0.0007","90","","102.953","0.001","90","","1564.77","0.08","100","0.2","100","0.2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C18 H29 N O -","- C18 H29 N O -","- C72 H116 N4 O4 -","4","1","","Lin, Shih-Che; Chein, Rong-Jie","Total Synthesis of the Labdane Diterpenes Galanal A and B from Geraniol.","The Journal of organic chemistry","2017","82","3","1575","1583","10.1021/acs.joc.6b02766","","","0.71073","MoKα","","0.0514","0.0449","","","0.1055","0.1093","","","","","","1.054","","","","has coordinates","193590","2020-10-21","18:00:00",""
"4032133","19.3415","0.0003","7.1702","0.0001","11.3568","0.0002","90","","101.412","0.001","90","","1543.85","0.04","100","2","100","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C18 H30 O2 -","- C18 H30 O2 -","- C72 H120 O8 -","4","1","","Lin, Shih-Che; Chein, Rong-Jie","Total Synthesis of the Labdane Diterpenes Galanal A and B from Geraniol.","The Journal of organic chemistry","2017","82","3","1575","1583","10.1021/acs.joc.6b02766","","","0.71073","MoKα","","0.0544","0.0413","","","0.1087","0.1271","","","","","","1.106","","","","has coordinates","193590","2020-10-21","18:00:00",""
"4032134","7.277","0.0001","10.8148","0.0001","19.2366","0.0003","90","","90","","90","","1513.91","0.03","130","","130","","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C17 H24 O3 -","- C17 H24 O3 -","- C68 H96 O12 -","4","1","","Liao, Hai-Bing; Huang, Guang-Hui; Yu, Mei-Hua; Lei, Chun; Hou, Ai-Jun","Five Pairs of Meroterpenoid Enantiomers from Rhododendron capitatum.","The Journal of organic chemistry","2017","82","3","1632","1637","10.1021/acs.joc.6b02800","","","1.54178","CuKα","","0.0347","0.0343","","","0.0931","0.0934","","","","","","1.047","","","","has coordinates","193596","2020-10-21","18:00:00",""
"4032135","16.1787","0.0015","7.8957","0.0007","11.6365","0.001","90","","105.489","0.005","90","","1432.5","0.2","150","2","150","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C12 H14 N O9 -","- C12 H14 N O9 -","- C48 H56 N4 O36 -","4","1","","Huang, Shengdian; Paletta, Joseph T.; Elajaili, Hanan; Huber, Kirby; Pink, Maren; Rajca, Suchada; Eaton, Gareth R.; Eaton, Sandra S.; Rajca, Andrzej","Synthesis and Electron Spin Relaxation of Tetracarboxylate Pyrroline Nitroxides.","The Journal of organic chemistry","2017","82","3","1538","1544","10.1021/acs.joc.6b02737","","","0.71073","MoKα","","0.0395","0.0324","","","0.0819","0.0865","","","","","","1.028","","","","has coordinates","193588","2020-10-21","18:00:00",""
"4032136","10.928","0.002","6.432","0.0013","19.345","0.004","90","","95.38","0.03","90","","1353.7","0.5","298","2","298","2","","","","","","","","3","P 1 21 1","P 2yb","4","","","","- C29 H44 O3 -","- C29 H44 O3 -","- C58 H88 O6 -","2","1","","Hou, Ji-Qin; Guo, Cui; Zhao, Jian-Juan; He, Qi-Wei; Zhang, Bao-Bao; Wang, Hao","Frutescone A-G, Tasmanone-Based Meroterpenoids from the aerial parts of Baeckea frutescens.","The Journal of organic chemistry","2017","82","3","1448","1457","10.1021/acs.joc.6b02643","","","0.71073","MoKα","","0.1663","0.0742","","","0.0789","0.0978","","","","","","1.001","","","","has coordinates","193589","2020-10-21","18:00:00",""
"4032137","8.419","0.0001","17.2192","0.0001","18.2072","0.0001","90","","90","","90","","2639.47","0.04","290","2","290","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C29 H44 O3 -","- C29 H44 O3 -","- C116 H176 O12 -","4","1","","Hou, Ji-Qin; Guo, Cui; Zhao, Jian-Juan; He, Qi-Wei; Zhang, Bao-Bao; Wang, Hao","Frutescone A-G, Tasmanone-Based Meroterpenoids from the aerial parts of Baeckea frutescens.","The Journal of organic chemistry","2017","82","3","1448","1457","10.1021/acs.joc.6b02643","","","1.54184","CuKα","","0.0317","0.0307","","","0.0852","0.0862","","","","","","1.039","","","","has coordinates","193589","2020-10-21","18:00:00",""
"4032138","17.976","0.004","8.7449","0.0017","18.806","0.004","90","","104.96","0.03","90","","2856.1","1.1","293","2","293","2","","","","","","","","3","C 1 2/c 1","-C 2yc","15","","","","- C17 H20 O3 -","- C17 H20 O3 -","- C136 H160 O24 -","8","1","","Wu, Hao; Hsung, Richard P.; Tang, Yu","Total Syntheses of (±)-Rhodonoids A and B and C12-epi-Rhodonoid B.","The Journal of organic chemistry","2017","82","3","1545","1551","10.1021/acs.joc.6b02739","","","0.71073","MoKα","","0.0657","0.0498","","","0.1535","0.1746","","","","","","1.027","","","","has coordinates","193595","2020-10-21","18:00:00",""
"4032139","8.0238","0.0011","20.185","0.003","24.621","0.003","96.566","0.008","92.291","0.007","90.483","0.007","3958","0.9","296","2","296","2","","","","","","","","5","P -1","-P 1","2","","","","- C19 H20 N2 O5 S -","- C19 H20 N2 O5 S -","- C152 H160 N16 O40 S8 -","8","4","","Borah, Madhurjya; Borthakur, Upasana; Saikia, Anil K.","Diastereoselective Synthesis of Substituted Morpholines from N-Tethered Alkenols: Total Synthesis of (±)-Chelonin A.","The Journal of organic chemistry","2017","82","3","1330","1339","10.1021/acs.joc.6b02260","","","0.71073","MoKα","","0.1946","0.1468","","","0.3316","0.3527","","","","","","1.262","","","","has coordinates","193601","2020-10-21","18:00:00",""
"4032140","6.1952","0.0005","10.7715","0.0008","27.987","0.003","90","","90","","90","","1867.6","0.3","296","2","296","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C20 H23 N O3 S -","- C20 H23 N O3 S -","- C80 H92 N4 O12 S4 -","4","1","","Borah, Madhurjya; Borthakur, Upasana; Saikia, Anil K.","Diastereoselective Synthesis of Substituted Morpholines from N-Tethered Alkenols: Total Synthesis of (±)-Chelonin A.","The Journal of organic chemistry","2017","82","3","1330","1339","10.1021/acs.joc.6b02260","","","0.71073","MoKα","","0.1895","0.1235","","","0.2528","0.3338","","","","","","1.108","","","","has coordinates","193601","2020-10-21","18:00:00",""
"4032141","7.476","0.002","11.875","0.003","18.314","0.007","80.19","0.03","86.76","0.03","75.499","0.018","1550.9","0.8","113","2","113","2","","","","","","","","6","P -1","-P 1","2","","","","- C32.5 H27.9 Br Cl0.4 N5 O5 -","- C32.7 H24 Br Cl0.4 N5 O5 -","- C65.4 H48 Br2 Cl0.8 N10 O10 -","2","1","","Feng, Junjun; Li, Xin; Cheng, Jin-Pei","Enantioselective Organocatalyzed Vinylogous Michael Reactions of 3-Alkylidene Oxindoles with Enals.","The Journal of organic chemistry","2017","82","3","1412","1419","10.1021/acs.joc.6b02582","","","0.71073","MoKα","","0.0825","0.0615","","","0.1652","0.179","","","","","","1.067","","","","has coordinates,has disorder","193586","2020-10-21","18:00:00",""
"4032142","9.154","0.0007","9.2199","0.0007","10.1419","0.0007","64.85","0.007","84.832","0.006","67.071","0.007","710.67","0.11","293","","293","","","","","","","","","3","P -1","-P 1","2","","","","- C17 H14 O4 -","- C17 H14 O4 -","- C34 H28 O8 -","2","1","","He, Zhen; Qi, Xiaotian; She, Zhijie; Zhao, Yinsong; Li, Shiqing; Tang, Junbin; Gao, Ge; Lan, Yu; You, Jingsong","Room-Temperature Coupling/Decarboxylation Reaction of α-Oxocarboxylates with α-Bromoketones: Solvent-Controlled Regioselectivity for 1,2- and 1,3-Diketones.","The Journal of organic chemistry","2017","82","3","1403","1411","10.1021/acs.joc.6b02575","","x-ray","1.54184","CuKα","","0.0602","0.0531","","","0.1487","0.1593","","","","","","1.043","","","","has coordinates","193598","2020-10-21","18:00:00",""
"4032143","12.88956","0.00005","18.7538","0.00007","15.37317","0.00005","90","","95.7738","0.0003","90","","3697.28","0.02","169.91","0.1","169.91","0.1","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C37 H52 N2 O6 Si -","- C37 H52 N2 O6 Si -","- C148 H208 N8 O24 Si4 -","4","2","","Suh, Young-Ger; Lim, Changjin; Sim, Jaehoon; Lee, Jae Kyun; Surh, Young-Joon; Paek, Seung-Mann","Construction of the Azacyclic Core of Tabernaemontanine-Related Alkaloids via Tandem Reformatsky-Aza-Claisen Rearrangement.","The Journal of organic chemistry","2017","82","3","1464","1470","10.1021/acs.joc.6b02648","","x-ray","1.54184","CuKα","","0.0479","0.0472","","","0.1245","0.1254","","","","","","1.069","","","","has coordinates,has disorder","193592","2020-10-21","18:00:00",""
"4032144","10.0753","0.0011","10.3677","0.0008","11.4126","0.0013","76.523","0.008","80.432","0.009","64.208","0.009","1041","0.2","293","2","293","2","","","","","","","","4","P -1","-P 1","2","","","","- C22 H25 N O6 -","- C22 H25 N O6 -","- C44 H50 N2 O12 -","2","1","","Liu, Qiang; Wang, Junlei; Li, Dazhi; Yang, Chao; Xia, Wujiong","Photoinduced Intermolecular [4+2] Cycloaddition Reaction for Construction of Benzobicyclo[2.2.2]octane Skeletons.","The Journal of organic chemistry","2017","82","3","1389","1402","10.1021/acs.joc.6b02547","","x-ray","0.71073","MoKα","","0.0904","0.0597","","","0.1468","0.1741","","","","","","1.022","","","","has coordinates,has disorder","193597","2020-10-21","18:00:00",""
"4032145","6.2021","0.0004","9.4154","0.0006","13.871","0.0009","73.687","0.003","84.003","0.003","83.209","0.003","769.78","0.09","123","","123","","","","","","","","","5","P -1","-P 1","2","","","","- C15 H14 F3 N3 O3 -","- C15 H14 F3 N3 O3 -","- C30 H28 F6 N6 O6 -","2","1","","Duret, Guillaume; Quinlan, Robert; Yin, Boyang; Martin, Rainer E.; Bisseret, Philippe; Neuburger, Markus; Gandon, Vincent; Blanchard, Nicolas","Intramolecular Inverse Electron-Demand [4 + 2] Cycloadditions of Ynamides with Pyrimidines: Scope and Density Functional Theory Insights.","The Journal of organic chemistry","2017","82","3","1726","1742","10.1021/acs.joc.6b02986","","","1.54178","CuKα","","0.033","0.0322","","0.0356","0.0334","0.0331","","","","","","1.1198","","","","has coordinates","193602","2020-10-21","18:00:00",""
"4032146","19.8806","0.0004","7.9531","0.0001","24.0117","0.0005","90","","101.629","0.0007","90","","3718.61","0.12","93","","93","","","","","","","","","2","P 1 21/n 1","-P 2yn","14","","","","- C51 H43 -","- C51 H43 -","- C204 H172 -","4","1","","Miyoshi, Hirokazu; Miki, Masahito; Hirano, Shintaro; Shimizu, Akihiro; Kishi, Ryohei; Fukuda, Kotaro; Shiomi, Daisuke; Sato, Kazunobu; Takui, Takeji; Hisaki, Ichiro; Nakano, Masayoshi; Tobe, Yoshito","Fluoreno[2,3-b]fluorene vs Indeno[2,1-b]fluorene: Unusual Relationship between the Number of π Electrons and Excitation Energy in m-Quinodimethane-Type Singlet Diradicaloids.","The Journal of organic chemistry","2017","82","3","1380","1388","10.1021/acs.joc.6b02500","","","0.8","synchrotron","","0.0568","0.0488","","","0.1253","0.1329","","","","","","1.065","","","","has coordinates,has disorder","193599","2020-10-21","18:00:00",""
"4032147","6.1336","0.0017","7.936","0.002","7.765","0.002","90","","94.959","0.004","90","","376.56","0.17","153","2","153","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- H8 N2 O8 S2 -","- H8 N2 O8 S2 -","- H16 N4 O16 S4 -","2","0.5","","Guo, Ya-Fei; Mahmood, Sajid; Xu, Bao-Hua; Yao, Xiao-Qian; He, Hong-Yan; Zhang, Suo-Jiang","Oxidation of Aromatic Aldehydes to Esters: A Sulfate Radical Redox System.","The Journal of organic chemistry","2017","82","3","1591","1599","10.1021/acs.joc.6b02775","","","0.71073","MoKα","","0.0281","0.0256","","","0.0709","0.0729","","","","","","0.999","","","","has coordinates","198632","2020-10-21","18:00:00",""
"4032148","6.8561","0.0017","7.0999","0.0014","7.969","0.002","70.08","0.006","88.026","0.007","79.211","0.008","358.08","0.15","","","","","","","","","","","","5","P -1","-P 1","2","","","","- C10 H12 N2 O8 S2 -","- C10 H12 N2 O8 S2 -","- C10 H12 N2 O8 S2 -","1","0.5","","Guo, Ya-Fei; Mahmood, Sajid; Xu, Bao-Hua; Yao, Xiao-Qian; He, Hong-Yan; Zhang, Suo-Jiang","Oxidation of Aromatic Aldehydes to Esters: A Sulfate Radical Redox System.","The Journal of organic chemistry","2017","82","3","1591","1599","10.1021/acs.joc.6b02775","","","","","","0.034","","","","","","","","","","","","","","","has coordinates","193594","2020-10-21","18:00:00",""
"4032149","8.226","0.002","14.044","0.004","7.005","0.002","90","","94.085","0.004","90","","807.2","0.4","163","2","163","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C6 H9 N O4 S -","- C6 H9 N O4 S -","- C24 H36 N4 O16 S4 -","4","1","","Guo, Ya-Fei; Mahmood, Sajid; Xu, Bao-Hua; Yao, Xiao-Qian; He, Hong-Yan; Zhang, Suo-Jiang","Oxidation of Aromatic Aldehydes to Esters: A Sulfate Radical Redox System.","The Journal of organic chemistry","2017","82","3","1591","1599","10.1021/acs.joc.6b02775","","","0.71073","MoKα","","0.045","0.0386","","","0.0895","0.0933","","","","","","1.002","","","","has coordinates","198632","2020-10-21","18:00:00",""
"4032150","19.1715","0.0009","8.6293","0.0009","9.3029","0.0017","90","","102.648","0.005","90","","1501.7","0.3","173.15","","173.15","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C17 H17 N O2 S -","- C17 H17 N O2 S -","- C68 H68 N4 O8 S4 -","4","1","","Wen, Li-Rong; Dou, Qian; Wang, Yuan-Chao; Zhang, Jin-Wei; Guo, Wei-Si; Li, Ming","Synthesis of 1-Thio-Substituted Isoquinoline Derivatives by Tandem Cyclization of Isothiocyanates.","The Journal of organic chemistry","2017","82","3","1428","1436","10.1021/acs.joc.6b02605","","","0.71073","MoKα","","0.0451","0.0432","","","0.1027","0.104","","","","","","1.158","","","","has coordinates","193603","2020-10-21","18:00:00",""
"4032151","6.12","0.003","13.432","0.006","23.716","0.01","90","","90","","90","","1949.5","1.5","296","2","296","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C23 H17 Br O5 -","- C23 H17 Br O5 -","- C92 H68 Br4 O20 -","4","1","","Wang, Yuanfeng; Pan, Jian; Dong, Jingjiao; Yu, Chenxia; Li, Tuanjie; Wang, Xiang-Shan; Shen, Shide; Yao, Changsheng","N-Heterocyclic Carbene-Catalyzed [4 + 2] Cyclization of Saturated Carboxylic Acid with o-Quinone Methides through in Situ Activation: Enantioselective Synthesis of Dihydrocoumarins.","The Journal of organic chemistry","2017","82","3","1790","1795","10.1021/acs.joc.6b02444","","","0.71073","MoKα","","0.0951","0.0386","","","0.0659","0.078","","","","","","1.028","","","","has coordinates","193587","2020-10-21","18:00:00",""
"4032153","7.8797","0.0011","10.6151","0.0016","19.258","0.003","90","","96.963","0.003","90","","1598.9","0.4","130","2","130","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C19 H15 N3 O3 -","- C19 H15 N3 O3 -","- C76 H60 N12 O12 -","4","1","","Meng, Jiang; Wen, Min; Zhang, Shiwei; Pan, Peiwen; Yu, Xingxin; Deng, Wei-Ping","Unexpected O-H Insertion of Rhodium-Azavinylcarbenes with N-Acylhydrazones: Divergent Synthesis of 3,6-Disubstituted- and 3,5,6-Trisubstituted-1,2,4-Triazines.","The Journal of organic chemistry","2017","82","3","1676","1687","10.1021/acs.joc.6b02846","","","0.71073","MoKα","","0.0784","0.0628","","","0.17","0.1797","","","","","","0.861","","","","has coordinates","193600","2020-10-21","18:00:00",""
"4032154","10.3517","0.0005","10.778","0.0005","21.814","0.0011","90","","94.68","0.004","90","","2425.7","0.2","200","","200","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C27 H30 N2 O6 -","- C27 H30 N2 O6 -","- C108 H120 N8 O24 -","4","1","","Dumoulin, Audrey; Bernadat, Guillaume; Masson, Géraldine","Enantioselective Three-Component Amination of Enecarbamates Enables the Synthesis of Structurally Complex Small Molecules.","The Journal of organic chemistry","2017","82","3","1775","1789","10.1021/acs.joc.6b03093","","x-ray","0.71073","MoKα","","0.0633","0.0432","","","0.1062","0.1123","","","","","","1.108","","","","has coordinates","193593","2020-10-21","18:00:00",""
"4032155","13.9058","0.0009","15.9471","0.0007","14.5652","0.0012","90","","115.575","0.009","90","","2913.5","0.4","297","2","297","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C16 H15 N3 O -","- C16 H15 N3 O -","- C128 H120 N24 O8 -","8","2","","Safin, Damir A.; Mitoraj, Mariusz P.; Babashkina, Maria G.; Kubisiak, Piotr; Robeyns, Koen; Filinchuk, Yaroslav","Alternative Route Toward Nitrones: Experimental and Theoretical Findings.","The Journal of organic chemistry","2017","82","3","1666","1675","10.1021/acs.joc.6b02821","","","0.71073","MoKα","","0.0714","0.0469","","","0.1208","0.1371","","","","","","1.016","","","","has coordinates","193591","2020-10-21","18:00:00",""
"4032156","6.9266","0.0002","14.6572","0.0005","11.4985","0.0003","90","0.002","103.475","0.002","90","0.002","1135.24","0.06","293","2","293","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","Isoindolehydroxylactam","","","- C14 H12 N2 O2 -","- C14 H12 N2 O2 -","- C56 H48 N8 O8 -","4","1","","Dutta, Manali; Mandal, Santi M.; Pegu, Rupa; Pratihar, Sanjay","Pd(II)/Ag(I)-Catalyzed Room-Temperature Reaction of γ-Hydroxy Lactams: Mechanism, Scope, and Antistaphylococcal Activity.","The Journal of organic chemistry","2017","82","4","2193","2198","10.1021/acs.joc.6b02378","","","0.71073","MoKα","","0.0551","0.0466","","","0.1232","0.145","","","","","","1.172","","","","has coordinates","193568","2020-10-21","18:00:00",""
"4032157","9.2359","0.0002","14.0859","0.0004","15.645","0.0004","90","","101.897","0.002","90","","1991.63","0.09","296","2","296","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","Isoindole","","","- C25 H22 N2 O2 -","- C25 H22 N2 O2 -","- C100 H88 N8 O8 -","4","1","","Dutta, Manali; Mandal, Santi M.; Pegu, Rupa; Pratihar, Sanjay","Pd(II)/Ag(I)-Catalyzed Room-Temperature Reaction of γ-Hydroxy Lactams: Mechanism, Scope, and Antistaphylococcal Activity.","The Journal of organic chemistry","2017","82","4","2193","2198","10.1021/acs.joc.6b02378","","","0.71073","MoKα","","0.0831","0.0502","","","0.1308","0.1611","","","","","","1.099","","","","has coordinates","193568","2020-10-21","18:00:00",""
"4032158","9.5902","0.0002","9.9373","0.0003","10.7178","0.0003","90","","95.509","0.001","90","","1016.7","0.05","93","2","93","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C23 H27 N3 O3 -","- C23 H27 N3 O3 -","- C46 H54 N6 O6 -","2","1","","Tong, Thu Minh Thi; Soeta, Takahiro; Suga, Takuya; Kawamoto, Keisuke; Hayashi, Yoshihito; Ukaji, Yutaka","Formal Total Synthesis of Manzacidin C Based on Asymmetric 1,3-Dipolar Cycloaddition of Azomethine Imines.","The Journal of organic chemistry","2017","82","4","1969","1976","10.1021/acs.joc.6b02816","","","1.54178","CuKα","","0.0252","0.025","","","0.066","0.067","","","","","","1.079","","","","has coordinates","193565","2020-10-21","18:00:00",""
"4032159","15.476","0.002","12.9994","0.0017","5.4283","0.0007","90","","90","","90","","1092.1","0.2","293","2","293","2","","","","","","","","4","P n a 21","P 2c -2n","33","","","","- C12 H9 Br O3 -","- C12 H9 Br O3 -","- C48 H36 Br4 O12 -","4","1","","Yang, Cheng; He, Xinwei; Zhang, Lanlan; Han, Guang; Zuo, Youpeng; Shang, Yongjia","Synthesis of Isocoumarins from Cyclic 2-Diazo-1,3-diketones and Benzoic Acids via Rh(III)-Catalyzed C-H Activation and Esterification.","The Journal of organic chemistry","2017","82","4","2081","2088","10.1021/acs.joc.6b02906","","","0.71073","MoKα","","0.0618","0.0516","","","0.1357","0.1435","","","","","","1.073","","","","has coordinates","193575","2020-10-21","18:00:00",""
"4032160","24","0.003","7.048","0.001","19.277","0.003","90","","117.566","0.002","90","","2890.6","0.7","293","2","293","2","","","","","","","","3","C 1 2/c 1","-C 2yc","15","","","","- C19 H16 O3 -","- C19 H16 O3 -","- C152 H128 O24 -","8","1","","Yang, Cheng; He, Xinwei; Zhang, Lanlan; Han, Guang; Zuo, Youpeng; Shang, Yongjia","Synthesis of Isocoumarins from Cyclic 2-Diazo-1,3-diketones and Benzoic Acids via Rh(III)-Catalyzed C-H Activation and Esterification.","The Journal of organic chemistry","2017","82","4","2081","2088","10.1021/acs.joc.6b02906","","","0.71073","MoKα","","0.0902","0.0522","","","0.1434","0.1688","","","","","","1.015","","","","has coordinates","193575","2020-10-21","18:00:00",""
"4032161","7.493","0.0007","23.948","0.002","7.4662","0.0007","90","","91.094","0.001","90","","1339.5","0.2","293","2","293","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C15 H13 Br O3 -","- C15 H13 Br O3 -","- C60 H52 Br4 O12 -","4","1","","Yang, Cheng; He, Xinwei; Zhang, Lanlan; Han, Guang; Zuo, Youpeng; Shang, Yongjia","Synthesis of Isocoumarins from Cyclic 2-Diazo-1,3-diketones and Benzoic Acids via Rh(III)-Catalyzed C-H Activation and Esterification.","The Journal of organic chemistry","2017","82","4","2081","2088","10.1021/acs.joc.6b02906","","","0.71073","MoKα","","0.0651","0.0462","","","0.105","0.1147","","","","","","1.034","","","","has coordinates","193575","2020-10-21","18:00:00",""
"4032162","9.127","0.0018","16.25","0.003","10.496","0.002","90","","102.373","0.005","90","","1520.5","0.5","173","","173","","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C18 H14 F3 N -","- C18 H14 F3 N -","- C72 H56 F12 N4 -","4","1","","Hanakawa, Taisyun; Isa, Kazuki; Isobe, Shin-Ichi; Hoshino, Yuji; Zhou, Biao; Kawatsura, Motoi","Intramolecular Construction of Trifluoromethyl Group by the Palladium-Catalyzed Alkylation of 2,3,3-Trifluoroallylic Carbonates with Indoles.","The Journal of organic chemistry","2017","82","4","2281","2287","10.1021/acs.joc.6b03085","","","0.71075","MoKα","","","0.0554","","","","0.1507","","","","","","1.107","","","","has coordinates","193572","2020-10-21","18:00:00",""
"4032163","9.904","0.004","8.337","0.003","29.035","0.012","90","","94.111","0.009","90","","2391.2","1.6","173","","173","","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C26 H14 F5 I N3 O P -","- C26 H14 F5 I N3 O P -","- C104 H56 F20 I4 N12 O4 P4 -","4","1","","Maugeri, Leonardo; Lébl, Tomáš; Cordes, David B.; Slawin, Alexandra M. Z.; Philp, Douglas","Cooperative Binding in a Phosphine Oxide-Based Halogen Bonded Dimer Drives Supramolecular Oligomerization.","The Journal of organic chemistry","2017","82","4","1986","1995","10.1021/acs.joc.6b02822","","","0.71075","MoKα","","0.2221","0.0753","","","0.0983","0.1365","","","","","","1.036","","","","has coordinates","193574","2020-10-21","18:00:00",""
"4032164","12.546","0.002","8.1344","0.0014","17.974","0.003","90","","99.441","0.004","90","","1809.5","0.5","173","","173","","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C20 H14 I O P -","- C20 H14 I O P -","- C80 H56 I4 O4 P4 -","4","1","","Maugeri, Leonardo; Lébl, Tomáš; Cordes, David B.; Slawin, Alexandra M. Z.; Philp, Douglas","Cooperative Binding in a Phosphine Oxide-Based Halogen Bonded Dimer Drives Supramolecular Oligomerization.","The Journal of organic chemistry","2017","82","4","1986","1995","10.1021/acs.joc.6b02822","","","0.71075","MoKα","","0.0327","0.0266","","","0.0797","0.0831","","","","","","1.238","","","","has coordinates","193574","2020-10-21","18:00:00",""
"4032165","8.4788","0.0012","9.8691","0.0013","20.417","0.003","78.361","0.005","87.341","0.007","83.062","0.006","1660.6","0.4","93","","93","","","","","","","","","7","P -1","-P 1","2","","","","- C35 H31 F4 I N3 O3 P -","- C35 H31 F4 I N3 O3 P -","- C70 H62 F8 I2 N6 O6 P2 -","2","1","","Maugeri, Leonardo; Lébl, Tomáš; Cordes, David B.; Slawin, Alexandra M. Z.; Philp, Douglas","Cooperative Binding in a Phosphine Oxide-Based Halogen Bonded Dimer Drives Supramolecular Oligomerization.","The Journal of organic chemistry","2017","82","4","1986","1995","10.1021/acs.joc.6b02822","","","0.71075","MoKα","","0.0383","0.0357","","","0.1035","0.1055","","","","","","0.801","","","","has coordinates","193574","2020-10-21","18:00:00",""
"4032166","9.8605","0.0016","10.2577","0.0016","15.126","0.002","101.114","0.004","104.653","0.004","97.215","0.004","1427.7","0.4","296.15","","296.15","","","","","","","","","4","P 1","P 1","1","","","","- C38 H32 N2 O2 -","- C38 H32 N2 O2 -","- C76 H64 N4 O4 -","2","2","","Zheng, Yang; Chi, Yongjian; Bao, Ming; Qiu, Lihua; Xu, Xinfang","Gold-Catalyzed Tandem Dual Heterocyclization of Enynones with 1,3,5-Triazines: Bicyclic Furan Synthesis and Mechanistic Insights.","The Journal of organic chemistry","2017","82","4","2129","2135","10.1021/acs.joc.6b02947","","","0.71073","MoKα","","0.1467","0.0602","","","0.107","0.1296","","","","","","1.038","","","","has coordinates","255262","2020-10-21","18:00:00",""
"4032167","9.5426","0.0005","14.1928","0.0006","18.2177","0.0008","90","","90","","90","","2467.3","0.2","150","","150","","","","","","","","synthesis as described","5","P 21 21 21","P 2ac 2ab","19","","","","- C24 H29 F6 N2 P -","- C24 H29 F6 N2 P -","- C96 H116 F24 N8 P4 -","4","1","","Tarrieu, Robert; Dumas, Adrien; Thongpaen, Jompol; Vives, Thomas; Roisnel, Thierry; Dorcet, Vincent; Crévisy, Christophe; Baslé, Olivier; Mauduit, Marc","Readily Accessible Unsymmetrical Unsaturated 2,6-Diisopropylphenyl N-Heterocyclic Carbene Ligands. Applications in Enantioselective Catalysis.","The Journal of organic chemistry","2017","82","4","1880","1887","10.1021/acs.joc.6b02888","","x-ray","0.71073","MoKα","","0.0519","0.0416","","","0.0959","0.1048","","","","","","1.102","","","","has coordinates,has disorder","193566","2020-10-21","18:00:00",""
"4032168","10.0763","0.0004","10.0763","","46.527","0.002","90","","90","","120","","4091.1","0.2","150","2","150","2","","","","","","","synthesis as described","5","P 65","P 65","170","","","","- C27 H31 F6 N2 P -","- C27 H31 F6 N2 P -","- C162 H186 F36 N12 P6 -","6","1","","Tarrieu, Robert; Dumas, Adrien; Thongpaen, Jompol; Vives, Thomas; Roisnel, Thierry; Dorcet, Vincent; Crévisy, Christophe; Baslé, Olivier; Mauduit, Marc","Readily Accessible Unsymmetrical Unsaturated 2,6-Diisopropylphenyl N-Heterocyclic Carbene Ligands. Applications in Enantioselective Catalysis.","The Journal of organic chemistry","2017","82","4","1880","1887","10.1021/acs.joc.6b02888","","x-ray","0.71073","MoKα","","0.066","0.0517","","","0.1318","0.1392","","","","","","1.056","","","","has coordinates","193566","2020-10-21","18:00:00",""
"4032169","15.1197","0.0009","17.6938","0.0011","28.1469","0.0017","90","","90","","90","","7530","0.8","150","2","150","2","","","","","","","synthesis as described","5","P 21 21 21","P 2ac 2ab","19","","","","- C27 H30 Cl Cu N2 -","- C27 H30 Cl Cu N2 -","- C324 H360 Cl12 Cu12 N24 -","12","3","","Tarrieu, Robert; Dumas, Adrien; Thongpaen, Jompol; Vives, Thomas; Roisnel, Thierry; Dorcet, Vincent; Crévisy, Christophe; Baslé, Olivier; Mauduit, Marc","Readily Accessible Unsymmetrical Unsaturated 2,6-Diisopropylphenyl N-Heterocyclic Carbene Ligands. Applications in Enantioselective Catalysis.","The Journal of organic chemistry","2017","82","4","1880","1887","10.1021/acs.joc.6b02888","","x-ray","0.71073","MoKα","","0.1634","0.0679","","","0.0927","0.117","","","","","","0.971","","","","has coordinates","193566","2020-10-21","18:00:00",""
"4032170","9.6418","0.0005","13.0731","0.0007","16.4088","0.001","90","","90","","90","","2068.3","0.2","150","","150","","","","","","","","synthesis as described","5","P 21 21 21","P 2ac 2ab","19","","","","- C19 H27 F6 N2 P -","- C19 H27 F6 N2 P -","- C76 H108 F24 N8 P4 -","4","1","","Tarrieu, Robert; Dumas, Adrien; Thongpaen, Jompol; Vives, Thomas; Roisnel, Thierry; Dorcet, Vincent; Crévisy, Christophe; Baslé, Olivier; Mauduit, Marc","Readily Accessible Unsymmetrical Unsaturated 2,6-Diisopropylphenyl N-Heterocyclic Carbene Ligands. Applications in Enantioselective Catalysis.","The Journal of organic chemistry","2017","82","4","1880","1887","10.1021/acs.joc.6b02888","","x-ray","0.71073","MoKα","","0.0519","0.0439","","","0.1079","0.1132","","","","","","1.019","","","","has coordinates,has disorder","193566","2020-10-21","18:00:00",""
"4032171","7.109","","18.078","","14.867","","90","","95.1","","90","","1903.09","","293","2","293","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C21 H18 O2 S Se -","- C21 H18 O2 S Se -","- C84 H72 O8 S4 Se4 -","4","1","","Liu, Yang; Zheng, Guangfan; Zhang, Qian; Li, Yan; Zhang, Qian","Copper-Catalyzed Three Component Regio- and Stereospecific Selenosulfonation of Alkynes: Synthesis of (E)-β-Selenovinyl Sulfones.","The Journal of organic chemistry","2017","82","4","2269","2275","10.1021/acs.joc.6b03049","","","0.71073","MoKα","","0.0448","0.0323","","","0.0976","0.114","","","","","","0.792","","","","has coordinates","209501","2020-10-21","18:00:00",""
"4032172","7.317","","8.14","","18.413","","86.1","","80.49","","64.64","","977.378","","293","2","293","2","","","","","","","","6","P -1","-P 1","2","","","","- C19 H21 Cl O2 S Se -","- C19 H21 Cl O2 S Se -","- C38 H42 Cl2 O4 S2 Se2 -","2","1","","Liu, Yang; Zheng, Guangfan; Zhang, Qian; Li, Yan; Zhang, Qian","Copper-Catalyzed Three Component Regio- and Stereospecific Selenosulfonation of Alkynes: Synthesis of (E)-β-Selenovinyl Sulfones.","The Journal of organic chemistry","2017","82","4","2269","2275","10.1021/acs.joc.6b03049","","","0.71073","MoKα","","0.0932","0.06","","","0.2012","0.2497","","","","","","0.894","","","","has coordinates","193570","2020-10-21","18:00:00",""
"4032173","44.129","0.012","14.749","0.004","16.465","0.004","90","","108.637","0.003","90","","10154","5","200","2","200","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","49A","22-1 complex","","- C96 H92 N4 O12 S24 -","- C96 H92.91 N4 O12 S24 -","- C384 H371.64 N16 O48 S96 -","4","0.5","","Duedal, Troels; Nielsen, Kent A.; Olsen, Gunnar; Rasmussen, Charlotte B. G.; Kongsted, Jacob; Levillain, Eric; Breton, Tony; Miyazaki, Eigo; Takimiya, Kazuo; Bähring, Steffen; Jeppesen, Jan O.","Very Strong Binding for a Neutral Calix[4]pyrrole Receptor Displaying Positive Allosteric Binding.","The Journal of organic chemistry","2017","82","4","2123","2128","10.1021/acs.joc.6b02944","","","0.71073","MoKα","","0.119","0.0858","","","0.1732","0.19","","","","","","1.14","","","","has coordinates,has disorder","193567","2020-10-21","18:00:00",""
"4032174","17.3587","0.0013","5.2827","0.0004","26.4239","0.0015","90","","93.815","0.006","90","","2417.7","0.3","176","6","176","6","","","","","","","","4","I 1 2/a 1","-I 2ya","15","","","","- C16 H10 N2 O2 -","- C16 H10 N2 O2 -","- C128 H80 N16 O16 -","8","1","","Liu, Xing-Xing; Luo, Xin-Liang; Wu, Zhao-Yang; Cui, Xin-Feng; Zhou, Xiao-Qiang; He, Yong-Qin; Huang, Guo-Sheng","Oxidative Recyclization of 1H-Indoles for Synthesis of 2-Indolylbenzoxazinones via Cleavage of the C2-C3 Bond with AIBN under Air.","The Journal of organic chemistry","2017","82","4","2107","2113","10.1021/acs.joc.6b02893","","x-ray","0.71073","MoKα","","0.0858","0.0543","","","0.1071","0.1309","","","","","","1.072","","","","has coordinates","193569","2020-10-21","18:00:00",""
"4032175","19.969","0.003","12.545","0.002","14.105","0.003","90","","96.313","0.004","90","","3512","1.1","296","2","296","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C23 H14 Cl N O2 -","- C23 H14 Cl N O2 -","- C184 H112 Cl8 N8 O16 -","8","2","","Huang, Chia-Yu; Kavala, Veerababurao; Kuo, Chun-Wei; Konala, Ashok; Yang, Tang-Hao; Yao, Ching-Fa","Synthesis of Biologically Active Indenoisoquinoline Derivatives via a One-Pot Copper(II)-Catalyzed Tandem Reaction.","The Journal of organic chemistry","2017","82","4","1961","1968","10.1021/acs.joc.6b02814","","","0.71073","MoKα","","0.1427","0.0847","","","0.2668","0.3061","","","","","","1.083","","","","has coordinates","193573","2020-10-21","18:00:00",""
"4032176","4.0329","0.0008","12.808","0.002","14.479","0.004","90","","91.794","0.008","90","","747.5","0.3","200","2","200","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C23 H13 N O2 -","- C23 H13 N O2 -","- C46 H26 N2 O4 -","2","1","","Huang, Chia-Yu; Kavala, Veerababurao; Kuo, Chun-Wei; Konala, Ashok; Yang, Tang-Hao; Yao, Ching-Fa","Synthesis of Biologically Active Indenoisoquinoline Derivatives via a One-Pot Copper(II)-Catalyzed Tandem Reaction.","The Journal of organic chemistry","2017","82","4","1961","1968","10.1021/acs.joc.6b02814","","","0.71073","MoKα","","0.0584","0.042","","","0.0945","0.1071","","","","","","1.095","","","","has coordinates","193573","2020-10-21","18:00:00",""
"4032177","9.4357","0.0007","18.8121","0.0014","12.7774","0.0009","90","","99.29","0.001","90","","2238.3","0.3","130","","130","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C29 H21 Br N2 -","- C29 H21 Br N2 -","- C116 H84 Br4 N8 -","4","1","","He, Ying-Ying; Sun, Xiao-Xue; Li, Guo-Hao; Mei, Guang-Jian; Shi, Feng","Substrate-Controlled Regioselective Arylations of 2-Indolylmethanols with Indoles: Synthesis of Bis(indolyl)methane and 3,3'-Bisindole Derivatives.","The Journal of organic chemistry","2017","82","5","2462","2471","10.1021/acs.joc.6b02850","","","0.71073","MoKα","","0.0522","0.0349","","","0.0804","0.0867","","","","","","1.021","","","","has coordinates","193550","2020-10-21","18:00:00",""
"4032178","9.3524","0.0003","9.4185","0.0003","12.0991","0.0004","109.872","0.0017","106.528","0.0017","92.9933","0.0016","947.68","0.06","296","2","296","2","","","","","","","","4","P -1","-P 1","2","","","","- C23 H19 N3 O -","- C23 H19 N3 O -","- C46 H38 N6 O2 -","2","1","","Sahoo, Harekrishna; Mukherjee, Sayan; Grandhi, Gowri Sankar; Selvakumar, Jayaraman; Baidya, Mahiuddin","Copper Catalyzed C-N Cross-Coupling Reaction of Aryl Boronic Acids at Room Temperature through Chelation Assistance.","The Journal of organic chemistry","2017","82","5","2764","2771","10.1021/acs.joc.7b00002","","","0.71073","MoKα","","0.0503","0.0375","","","0.0921","0.1012","","","","","","1.044","","","","has coordinates","193558","2020-10-21","18:00:00",""
"4032179","9.4346","0.0002","13.9909","0.0004","14.0519","0.0004","90","","90","","90","","1854.83","0.08","296","2","296","2","","","","","","","","4","P n a 21","P 2c -2n","33","","","","- C22 H19 N3 O -","- C22 H19 N3 O -","- C88 H76 N12 O4 -","4","1","","Sahoo, Harekrishna; Mukherjee, Sayan; Grandhi, Gowri Sankar; Selvakumar, Jayaraman; Baidya, Mahiuddin","Copper Catalyzed C-N Cross-Coupling Reaction of Aryl Boronic Acids at Room Temperature through Chelation Assistance.","The Journal of organic chemistry","2017","82","5","2764","2771","10.1021/acs.joc.7b00002","","","0.71073","MoKα","","0.0382","0.0294","","","0.0649","0.0691","","","","","","1.047","","","","has coordinates","193558","2020-10-21","18:00:00",""
"4032180","17.3073","0.0007","9.4291","0.0004","17.5336","0.0007","90","","90","","90","","2861.3","0.2","296","2","296","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C18 H14 N2 O -","- C18 H14 N2 O -","- C144 H112 N16 O8 -","8","1","","Sahoo, Harekrishna; Mukherjee, Sayan; Grandhi, Gowri Sankar; Selvakumar, Jayaraman; Baidya, Mahiuddin","Copper Catalyzed C-N Cross-Coupling Reaction of Aryl Boronic Acids at Room Temperature through Chelation Assistance.","The Journal of organic chemistry","2017","82","5","2764","2771","10.1021/acs.joc.7b00002","","","0.71073","MoKα","","0.0632","0.0385","","","0.0875","0.1009","","","","","","1.053","","","","has coordinates","193558","2020-10-21","18:00:00",""
"4032181","9.43","0.007","17.122","0.013","11.039","0.008","90","","102.114","0.008","90","","1743","2","294","2","294","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C19 H18 N2 O5 -","- C19 H18 N2 O5 -","- C76 H72 N8 O20 -","4","1","","Bezanson, Michelle; Tomberg, Anna; Moitessier, Nicolas","Fluoride-Mediated Desulfonylative Intramolecular Cyclization to Fused and Bridged Bicyclic Compounds: A Complex Mechanism.","The Journal of organic chemistry","2017","82","5","2579","2588","10.1021/acs.joc.6b02999","","","0.71073","MoKα","","0.1082","0.0648","","","0.1924","0.237","","","","","","1.018","","","","has coordinates","193561","2020-10-21","18:00:00",""
"4032182","10.6227","0.0002","11.7438","0.0003","18.1448","0.0005","75.979","0.002","86.878","0.002","75.535","0.002","2126.48","0.09","100","0.1","100","0.1","","","","","","","","4","P -1","-P 1","2","","","","- C20 H21 N3 O5 -","- C20 H21 N3 O5 -","- C80 H84 N12 O20 -","4","2","","Guchhait, Sankar K.; Hura, Neha; Shah, Archana P.","Synthesis of Polysubstituted 2-Aminoimidazoles via Alkene-Diamination of Guanidine with Conjugated α-Bromoalkenones.","The Journal of organic chemistry","2017","82","5","2745","2752","10.1021/acs.joc.6b03021","","x-ray","0.71073","MoKα","","0.0718","0.0553","","","0.1545","0.1705","","","","","","1.035","","","","has coordinates","193556","2020-10-21","18:00:00",""
"4032183","16.953","0.002","10.6145","0.0014","22.394","0.003","90","","108.248","0.005","90","","3827.1","0.9","298","2","298","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C21 H20 N2 O5 -","- C21 H20 N2 O5 -","- C168 H160 N16 O40 -","8","1","","Ravi, Manjula; Allu, Srinivasarao; Swamy, K. C. Kumara","Rhodium(III)-Catalyzed ortho-Alkylation of Phenoxy Substrates with Diazo Compounds via C-H Activation: A Case of Decarboxylative Pyrimidine/Pyridine Migratory Cyclization Rather than Removal of Pyrimidine/Pyridine Directing Group.","The Journal of organic chemistry","2017","82","5","2355","2363","10.1021/acs.joc.6b02693","","","0.71073","MoKα","","0.0666","0.0582","","","0.1727","0.1802","","","","","","1.077","","","","has coordinates","193562","2020-10-21","18:00:00",""
"4032184","23.0446","0.0019","6.2463","0.0005","15.0567","0.0012","90","","99.378","0.003","90","","2138.3","0.3","297","2","297","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C13 H10 N2 O2 -","- C13 H10 N2 O2 -","- C104 H80 N16 O16 -","8","1","","Ravi, Manjula; Allu, Srinivasarao; Swamy, K. C. Kumara","Rhodium(III)-Catalyzed ortho-Alkylation of Phenoxy Substrates with Diazo Compounds via C-H Activation: A Case of Decarboxylative Pyrimidine/Pyridine Migratory Cyclization Rather than Removal of Pyrimidine/Pyridine Directing Group.","The Journal of organic chemistry","2017","82","5","2355","2363","10.1021/acs.joc.6b02693","","","0.71073","MoKα","","0.0422","0.0379","","","0.1027","0.1063","","","","","","1.046","","","","has coordinates","193562","2020-10-21","18:00:00",""
"4032185","25.879","0.002","7.4025","0.0006","13.146","0.001","90","","93.35","0.004","90","","2514.1","0.3","298","2","298","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C15 H13 N O2 -","- C15 H13 N O2 -","- C120 H104 N8 O16 -","8","1","","Ravi, Manjula; Allu, Srinivasarao; Swamy, K. C. Kumara","Rhodium(III)-Catalyzed ortho-Alkylation of Phenoxy Substrates with Diazo Compounds via C-H Activation: A Case of Decarboxylative Pyrimidine/Pyridine Migratory Cyclization Rather than Removal of Pyrimidine/Pyridine Directing Group.","The Journal of organic chemistry","2017","82","5","2355","2363","10.1021/acs.joc.6b02693","","","0.71073","MoKα","","0.1014","0.0658","","","0.1662","0.182","","","","","","1.056","","","","has coordinates","193562","2020-10-21","18:00:00",""
"4032186","9.9417","0.0004","10.1104","0.0004","10.6132","0.0005","87.141","0.002","69.537","0.002","75.045","0.002","964.65","0.07","296","2","296","2","","","","","","","","4","P -1","-P 1","2","","","","- C22 H16 N4 O3 -","- C22 H16 N4 O3 -","- C44 H32 N8 O6 -","2","1","","Mukherjee, Prasun; Das, Asish R.","Spirocyclopropanes from Intramolecular Cyclopropanation of Pyranopyrazoles and Pyranopyrimidine-diones and Lewis Acid Mediated (3 + 2) Cycloadditions of Spirocyclopropylpyrazolones.","The Journal of organic chemistry","2017","82","5","2794","2802","10.1021/acs.joc.7b00089","","","0.71073","MoKα","","0.0515","0.0419","","","0.1408","0.1613","","","","","","0.787","","","","has coordinates","193551","2020-10-21","18:00:00",""
"4032187","7.2554","0.0001","15.7659","0.0003","16.4944","0.0003","90","","90","","90","","1886.76","0.06","291","2","291","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C18 H14 I N O5 S -","- C18 H14 I N O5 S -","- C72 H56 I4 N4 O20 S4 -","4","1","","Zhang, Sheng; Li, Lijun; Xin, Lilan; Liu, Wenmin; Xu, Kun","Asymmetric Aziridination of N-Sulphonyl Ketimines with Unfunctionalized Ketones: A One-pot Approach to Multisubstituted Fused Aziridines.","The Journal of organic chemistry","2017","82","5","2399","2406","10.1021/acs.joc.6b02827","","","1.54184","CuKα","","0.0852","0.0842","","","0.2177","0.2203","","","","","","1.047","","","","has coordinates","193555","2020-10-21","18:00:00",""
"4032188","9.083","0.002","10.211","0.002","35.645","0.007","90","","91.08","0.03","90","","3305.4","1.2","99","2","99","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C42 H33 N O4 S2 -","- C42 H33 N O4 S2 -","- C168 H132 N4 O16 S8 -","4","1","","Raji Reddy, Chada; Rani Valleti, Reddi; Sathish, Puppala","[4 + 2] Benzannulation of 3-Alkenylpyrroles/Thiophenes with Propargylic Alcohols: Access to Substituted Indoles, Benzothiophenes, and Aza[5]helicenes.","The Journal of organic chemistry","2017","82","5","2345","2354","10.1021/acs.joc.6b02637","","","0.71073","MoKα","","0.066","0.0565","","","0.1474","0.1545","","","","","","1.034","","","","has coordinates,has disorder","193553","2020-10-21","18:00:00",""
"4032189","9.4036","0.0012","13.463","0.002","14.262","0.002","68.045","0.005","86.331","0.007","72.802","0.007","1597.5","0.4","100","2","100","2","","","","","","","","5","P -1","-P 1","2","BC-Ar","","","- C37 H38 Br N4 O3 -","- C37 H38 Br N4 O3 -","- C74 H76 Br2 N8 O6 -","2","1","","Zhang, Shaofei; Lindsey, Jonathan S.","Construction of the Bacteriochlorin Macrocycle with Concomitant Nazarov Cyclization To Form the Annulated Isocyclic Ring: Analogues of Bacteriochlorophyll a.","The Journal of organic chemistry","2017","82","5","2489","2504","10.1021/acs.joc.6b02878","","","0.71073","MoKα","","0.0663","0.038","","","0.0751","0.0828","","","","","","1.008","","","","has coordinates","193554","2020-10-21","18:00:00",""
"4032190","9.794","0.002","16.232","0.002","17.356","0.003","90","","105.695","0.011","90","","2656.3","0.8","150","2","150","2","","","","","","","","5","C 1 c 1","C -2yc","9","","","","- C31 H31 N O6 S -","- C31 H31 N O6 S -","- C124 H124 N4 O24 S4 -","4","1","","Lv, Leiyang; Li, Zhiping","Cycloalkylation of C(sp(3))-H Bond with Neighboring Carboxylic Acid as Traceless Activating Group.","The Journal of organic chemistry","2017","82","5","2689","2702","10.1021/acs.joc.6b03091","","","0.71073","MoKα","","0.0257","0.0251","","","0.0681","0.0686","","","","","","1.034","","","","has coordinates","193552","2020-10-21","18:00:00",""
"4032191","15.0129","0.0004","10.2314","0.0002","21.1073","0.0006","90","","101.85","0.001","90","","3173.05","0.14","150","2","150","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C40.5 H39 N O5 S -","- C40.5 H39 N O5 S -","- C162 H156 N4 O20 S4 -","4","1","","Lv, Leiyang; Li, Zhiping","Cycloalkylation of C(sp(3))-H Bond with Neighboring Carboxylic Acid as Traceless Activating Group.","The Journal of organic chemistry","2017","82","5","2689","2702","10.1021/acs.joc.6b03091","","","0.71073","MoKα","","0.0879","0.0813","","","0.316","0.3271","","","","","","1.534","","","","has coordinates","268283","2021-08-30","06:31:21",""
"4032192","6.2759","0.0002","9.9429","0.0003","23.3483","0.0006","90","","90","","90","","1456.95","0.07","100","2","100","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C17 H18 N2 O3 -","- C17 H18 N2 O3 -","- C68 H72 N8 O12 -","4","1","","Milbeo, Pierre; Moulat, Laure; Didierjean, Claude; Aubert, Emmanuel; Martinez, Jean; Calmès, Monique","Synthesis of Enantiopure 1,2-Diaminobicyclo[2.2.2]octane Derivatives, C1-Symmetric Chiral 1,2-Diamines with a Rigid Bicyclic Backbone.","The Journal of organic chemistry","2017","","","","","10.1021/acs.joc.7b00122","","","1.54184","CuKα","","0.0434","0.0392","","","0.0983","0.103","","","","","","1.061","","","","has coordinates","192649","2020-10-21","18:00:00",""
"4032193","11.197","0.005","21.811","0.005","11.71","0.005","90","0.005","101.201","0.005","90","0.005","2805.3","1.8","100","2","100","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C31 H31 F N2 O6 S -","- C31 H31 F N2 O6 S -","- C124 H124 F4 N8 O24 S4 -","4","1","","Sayyad, Masthanvali; Wani, Imtiyaz Ahmad; Babu, Raja; Nanaji, Yerramsetti; Ghorai, Manas K.","A Synthetic Route to Chiral 1,4-Disubstituted Tetrahydro-β-Carbolines via Domino Ring-Opening Cyclization of Activated Aziridines with 2-Vinylindoles.","The Journal of organic chemistry","2017","82","5","2364","2374","10.1021/acs.joc.6b02719","","","0.71073","MoKα","","0.1802","0.075","","","0.1484","0.1912","","","","","","1.031","","","","has coordinates","193557","2020-10-21","18:00:00",""
"4032194","15.4759","0.0009","9.5223","0.0005","18.2158","0.0009","90","","110.754","0.002","90","","2510.2","0.2","100","2","100","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C29 H30 N2 O4 S -","- C29 H30 N2 O4 S -","- C116 H120 N8 O16 S4 -","4","1","","Sayyad, Masthanvali; Wani, Imtiyaz Ahmad; Babu, Raja; Nanaji, Yerramsetti; Ghorai, Manas K.","A Synthetic Route to Chiral 1,4-Disubstituted Tetrahydro-β-Carbolines via Domino Ring-Opening Cyclization of Activated Aziridines with 2-Vinylindoles.","The Journal of organic chemistry","2017","82","5","2364","2374","10.1021/acs.joc.6b02719","","","0.71073","MoKα","","0.1394","0.0648","","","0.1226","0.148","","","","","","1.033","","","","has coordinates","193557","2020-10-21","18:00:00",""
"4032195","7.517","0.003","9.801","0.004","11.65","0.005","113.325","0.007","97.507","0.007","97.595","0.007","765.3","0.5","296","2","296","2","","","","","","","","5","P -1","-P 1","2","","","","- C18 H14 Cl N O3 -","- C18 H14 Cl N O3 -","- C36 H28 Cl2 N2 O6 -","2","1","","Wang, Wenhui; Han, Junwen; Sun, Jinwei; Liu, Yun","CuBr-Catalyzed Aerobic Decarboxylative Cycloaddition for the Synthesis of Indolizines under Solvent-Free Conditions.","The Journal of organic chemistry","2017","82","6","2835","2842","10.1021/acs.joc.6b02455","","","0.71073","MoKα","","0.0536","0.0414","","","0.1143","0.1223","","","","","","1.093","","","","has coordinates","194854","2020-10-21","18:00:00",""
"4032196","6.3339","0.0012","12.98","0.003","15.571","0.003","75.326","0.009","86.373","0.006","76.86","0.006","1206","0.4","293","2","293","2","","","","","","","","4","P -1","-P 1","2","","","","- C24 H28 Br2 O4 -","- C24 H28 Br2 O4 -","- C48 H56 Br4 O8 -","2","1","","Guchhait, Sandip; Chatterjee, Shamba; Ampapathi, Ravi Sankar; Goswami, Rajib Kumar","Total Synthesis of Reported Structure of Baulamycin A and Its Congeners.","The Journal of organic chemistry","2017","82","5","2414","2435","10.1021/acs.joc.6b02838","","","0.71073","MoKα","","0.1889","0.0584","","","0.118","0.1574","","","","","","0.974","","","","has coordinates","193559","2020-10-21","18:00:00",""
"4032197","11.1054","0.0003","13.0801","0.0004","14.4592","0.0004","90","","92.462","0.001","90","","2098.4","0.1","100","2","100","2","","","","","","","","3","P 1 21 1","P 2yb","4","","","","- C25 H28 O5 -","- C25 H28 O5 -","- C100 H112 O20 -","4","2","","He, Yan; Hu, Zhengxi; Sun, Weiguang; Li, Qin; Li, Xiao-Nian; Zhu, Hucheng; Huang, Jinfeng; Liu, Junjun; Wang, Jianping; Xue, Yongbo; Zhang, Yonghui","Spiroaspertrione A, a Bridged Spirocyclic Meroterpenoid, as a Potent Potentiator of Oxacillin against Methicillin-Resistant Staphylococcus aureus from Aspergillus sp. TJ23.","The Journal of organic chemistry","2017","82","6","3125","3131","10.1021/acs.joc.7b00056","","","1.54178","CuKα","","0.0265","0.0265","","","0.0674","0.0675","","","","","","1.06","","","","has coordinates","194858","2020-10-21","18:00:00",""
"4032198","7.34","0.0015","15.44","0.003","16.48","0.003","114.57","0.03","97.75","0.03","94.55","0.03","1663.9","0.7","100","2","100","2","","","","","","","","3","P 1","P 1","1","","","","- C25.66667 H34.66667 O5.66667 -","- C25.6667 H34.6667 O5.66667 -","- C77 H104 O17 -","3","3","","He, Yan; Hu, Zhengxi; Sun, Weiguang; Li, Qin; Li, Xiao-Nian; Zhu, Hucheng; Huang, Jinfeng; Liu, Junjun; Wang, Jianping; Xue, Yongbo; Zhang, Yonghui","Spiroaspertrione A, a Bridged Spirocyclic Meroterpenoid, as a Potent Potentiator of Oxacillin against Methicillin-Resistant Staphylococcus aureus from Aspergillus sp. TJ23.","The Journal of organic chemistry","2017","82","6","3125","3131","10.1021/acs.joc.7b00056","","","1.54178","CuKα","","0.0672","0.0648","","","0.1746","0.1779","","","","","","1.047","","","","has coordinates","255262","2020-10-21","18:00:00",""
"4032199","9.1127","0.0007","11.0557","0.0009","12.2422","0.0009","115.584","0.002","100.509","0.002","94.304","0.002","1077.2","0.15","120","2","120","2","","","","","","","","3","P -1","-P 1","2","","","","- C27 H24 O4 -","- C27 H24 O4 -","- C54 H48 O8 -","2","1","","Novikov, Roman A.; Tarasova, Anna V.; Denisov, Dmitry A.; Borisov, Denis D.; Korolev, Victor A.; Timofeev, Vladimir P.; Tomilov, Yury V.","[4 + 2] Annulation of Donor-Acceptor Cyclopropanes with Acetylenes Using 1,2-Zwitterionic Reactivity.","The Journal of organic chemistry","2017","82","5","2724","2738","10.1021/acs.joc.7b00209","","","0.71073","MoKα","","0.0864","0.0589","","","0.1161","0.1318","","","","","","1.09","","","","has coordinates","193560","2020-10-21","18:00:00",""
"4032200","16.9808","0.0005","19.2205","0.0005","9.7931","0.0003","90","","99.3754","0.0017","90","","3153.57","0.16","93","","93","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C30 H36 N6 O8 S -","- C30 H36 N6 O8 S -","- C120 H144 N24 O32 S4 -","4","1","","Inoue, Naoya; Nakano, Shun-Ichi; Harada, Shingo; Hamada, Yasumasa; Nemoto, Tetsuhiro","Synthetic Study of Dragmacidin E: Construction of the Core Structure Using Pd-Catalyzed Cascade Cyclization and Rh-Catalyzed Aminoacetoxylation.","The Journal of organic chemistry","2017","82","5","2787","2793","10.1021/acs.joc.7b00083","","","1.54187","CuKα","","0.0982","0.0714","","","0.1451","0.1556","","","","","","0.99","","","","has coordinates","193563","2020-10-21","18:00:00",""
"4032201","6.2573","0.0008","14.6575","0.0016","18.162","0.002","90","","92.354","0.004","90","","1664.3","0.3","297","2","297","2","","","","","","","","3","P 1 21/n 1","-P 2yn","14","phenyl(1-phenylnaphtalen-2-yl)selane","phenyl(1-phenylnaphtalen-2-yl)selane","","- C22 H16 Se -","- C22 H16 Se -","- C88 H64 Se4 -","4","1","","Recchi, Ana M. S.; Back, Davi F.; Zeni, Gilson","Sequential Carbon-Carbon/Carbon-Selenium Bond Formation Mediated by Iron(III) Chloride and Diorganyl Diselenides: Synthesis and Reactivity of 2-Organoselenyl-Naphthalenes.","The Journal of organic chemistry","2017","82","5","2713","2723","10.1021/acs.joc.7b00050","","","0.71073","MoKα","","0.0621","0.0474","","","0.1262","0.1458","","","","","","1.096","","","","has coordinates","193564","2020-10-21","18:00:00",""
"4032202","9.8413","0.0018","10.0342","0.0018","13.628","0.003","93.941","0.002","107.147","0.002","108.694","0.002","1198.1","0.4","296","2","296.15","","","","","","","","","6","P -1","-P 1","2","","","","- C30 H21 Br F N O2 -","- C30 H21 Br F N O2 -","- C60 H42 Br2 F2 N2 O4 -","2","1","","Yin, Deng; Liu, Hui; Lu, Chong-Dao; Xu, Yan-Jun","Dialkyl Phosphite-Initiated Cyclopropanation of α,β-Unsaturated Ketones Using α-Ketoesters or Isatin Derivatives.","The Journal of organic chemistry","2017","82","6","3252","3261","10.1021/acs.joc.6b03009","","","0.71073","MoKα","","0.0979","0.0508","","","0.1269","0.1729","","","","","","1.043","","","","has coordinates","194853","2020-10-21","18:00:00",""
"4032203","6.927","0.006","11.029","0.01","14.424","0.013","83.271","0.012","82.416","0.011","72.366","0.011","1037.5","1.6","296","2","296.15","","","","","","","","","4","P -1","-P 1","2","","","","- C24 H19 Br O3 -","- C24 H19 Br O3 -","- C48 H38 Br2 O6 -","2","1","","Yin, Deng; Liu, Hui; Lu, Chong-Dao; Xu, Yan-Jun","Dialkyl Phosphite-Initiated Cyclopropanation of α,β-Unsaturated Ketones Using α-Ketoesters or Isatin Derivatives.","The Journal of organic chemistry","2017","82","6","3252","3261","10.1021/acs.joc.6b03009","","","0.71073","MoKα","","0.1126","0.0475","","","0.1126","0.1442","","","","","","0.982","","","","has coordinates","194853","2020-10-21","18:00:00",""
"4032204","8.962","0.005","16.83","0.008","12.534","0.006","90","","93.461","0.007","90","","1887.1","1.7","296","2","296.15","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C24 H19 N O2 -","- C24 H19 N O2 -","- C96 H76 N4 O8 -","4","1","","Yin, Deng; Liu, Hui; Lu, Chong-Dao; Xu, Yan-Jun","Dialkyl Phosphite-Initiated Cyclopropanation of α,β-Unsaturated Ketones Using α-Ketoesters or Isatin Derivatives.","The Journal of organic chemistry","2017","82","6","3252","3261","10.1021/acs.joc.6b03009","","","0.71073","MoKα","","0.1198","0.0634","","","0.1547","0.1944","","","","","","0.985","","","","has coordinates","194853","2020-10-21","18:00:00",""
"4032205","11.8124","0.0005","14.2482","0.0006","12.3794","0.0006","90","","102.181","0.002","90","","2036.61","0.16","273","2","273","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C23 H22 N2 O2 S -","- C23 H22 N2 O2 S -","- C92 H88 N8 O8 S4 -","4","1","","Hu, Zhiyuan; Zhao, Ting; Wang, Manman; Wu, Jie; Yu, Wenquan; Chang, Junbiao","I2-Mediated Intramolecular C-H Amidation for the Synthesis of N-Substituted Benzimidazoles.","The Journal of organic chemistry","2017","82","6","3152","3158","10.1021/acs.joc.7b00142","","","0.71073","MoKα","","0.083","0.0592","","","0.1599","0.1822","","","","","","1.292","","","","has coordinates","194856","2020-10-21","18:00:00",""
"4032206","19.003","0.0011","23.7576","0.0013","10.0893","0.0006","90","","90","","90","","4555","0.5","173","2","173","2","","","","","","","","7","P n a 21","P 2c -2n","33","12246c","","","- C55 H45 Cl N O5 P2 Rh -","- C55 H45 Cl N O5 P2 Rh -","- C220 H180 Cl4 N4 O20 P8 Rh4 -","4","1","","Hoang, Giang T.; Walsh, Dylan J.; McGarry, Kathryn A.; Anderson, Constance B.; Douglas, Christopher J.","Development and Mechanistic Study of Quinoline-Directed Acyl C-O Bond Activation and Alkene Oxyacylation Reactions.","The Journal of organic chemistry","2017","82","6","2972","2983","10.1021/acs.joc.6b03011","","","0.71073","MoKα","","0.0391","0.0311","","","0.0627","0.0658","","","","","","1.034","","","","has coordinates","194859","2020-10-21","18:00:00",""
"4032207","13.2276","0.0004","13.4508","0.0003","13.5559","0.0004","90","","118.298","0.004","90","","2123.65","0.13","150","2","150","2","","","","","","","","7","P 1 21 1","P 2yb","4","","","","- C41 H37.5 B F10 N4.5 O2 Rh -","- C41 H37.5 B F10 N4.5 O2 Rh -","- C82 H75 B2 F20 N9 O4 Rh2 -","2","1","","Sun, Gui-Jun; Gong, Jun; Kang, Qiang","Chiral Rhodium(III) Complex-Catalyzed Cascade Michael-Alkylation Reactions: Enantioselective Synthesis of Cyclopropanes.","The Journal of organic chemistry","2017","82","1","796","803","10.1021/acs.joc.6b02583","","","1.54184","CuKα","","0.0351","0.0334","","","0.0876","0.0897","","","","","","1.058","","","","has coordinates,has disorder","193209","2020-10-21","18:00:00",""
"4032208","8.921","0.003","9.782","0.003","14.502","0.004","105.524","0.004","92.529","0.004","112.732","0.004","1109","0.6","296","2","296","2","","","","","","","","4","P -1","-P 1","2","","","","- C28 H21 N3 O2 -","- C28 H21 N3 O2 -","- C56 H42 N6 O4 -","2","1","","Das, Tuluma; Debnath, Sudipto; Maiti, Rituparna; Maiti, Dilip K.","Multifold C-C Coupling and Unorthodox Cyclization Catalysis for Selective Synthesis of Indolotriarylmethanes, Indolocarbazoles, and Their Analogues: A Control Experiment Study.","The Journal of organic chemistry","2017","82","1","688","700","10.1021/acs.joc.6b02689","","","0.71073","MoKα","","0.1052","0.0707","","","0.0961","0.1029","","","","","","2.094","","","","has coordinates","193210","2020-10-21","18:00:00",""
"4032209","21.8138","0.0007","7.3006","0.0002","21.2458","0.0008","90","","110.154","0.004","90","","3176.3","0.2","293","2","300","","","","","","","","","3","C 1 2/c 1","-C 2yc","15","","Organic Sample","","- C30 H25 O4 -","- C30.4 H28.8 O6.4 -","- C152 H144 O32 -","5","0.625","","Suchand, Basuli; Satyanarayana, Gedu","Palladium-Catalyzed Acylations: One-Pot Synthesis of Indenones.","The Journal of organic chemistry","2017","82","1","372","381","10.1021/acs.joc.6b02453","","","0.7107","MoKα","","0.0888","0.0588","","","0.1762","0.2076","","","","","","1.145","","","","has coordinates","193211","2020-10-21","18:00:00",""
"4032210","16.865","0.007","24.087","0.01","6.115","0.003","90","","90","","90","","2484.1","1.9","173","2","173","2","","","","","","","","5","P 21 21 2","P 2 2ab","18","","","","- C25 H27 N2 O5 S2 -","- C25 H27 N2 O5 S2 -","- C100 H108 N8 O20 S8 -","4","1","","Zhao, Senzhi; Andrade, Rodrigo B.","Development and Scope of the Arene-Fused Domino Michael/Mannich Reaction: Application to the Total Syntheses of Aspidosperma Alkaloids (-)-Aspidospermidine, (-)-Tabersonine, and (-)-Vincadifformine.","The Journal of organic chemistry","2017","82","1","521","531","10.1021/acs.joc.6b02551","","","0.71073","MoKα","","0.0742","0.045","","","0.1004","0.116","","","","","","1.059","","","","has coordinates","193212","2020-10-21","18:00:00",""
"4032211","9.7434","0.0005","3.9162","0.0002","26.2218","0.0012","90","","95.4561","0.0015","90","","996.01","0.09","173","","173","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C11 H7 N3 S -","- C11 H7 N3 S -","- C44 H28 N12 S4 -","4","1","","Arisawa, Mieko; Tazawa, Takeru; Tanii, Saori; Horiuchi, Kiyofumi; Yamaguchi, Masahiko","Rhodium-Catalyzed Synthesis of Unsymmetric Di(heteroaryl) Sulfides Using Heteroaryl Ethers and S-Heteroaryl Thioesters via Heteroarylthio Exchange.","The Journal of organic chemistry","2017","82","1","804","810","10.1021/acs.joc.6b02585","","","0.71075","MoKα","","0.0746","0.065","","","0.1505","0.1666","","","","","","1.178","","","","has coordinates","193213","2020-10-21","18:00:00",""
"4032212","14.1851","0.0005","9.0849","0.0005","8.6746","0.0007","90","","90","","90","","1117.9","0.12","173","2","173","2","","","","","","","","6","P c a 21","P 2c -2ac","29","","","","- C11 H6 Cl N O S2 -","- C11 H6 Cl N O S2 -","- C44 H24 Cl4 N4 O4 S8 -","4","1","","Arisawa, Mieko; Tazawa, Takeru; Tanii, Saori; Horiuchi, Kiyofumi; Yamaguchi, Masahiko","Rhodium-Catalyzed Synthesis of Unsymmetric Di(heteroaryl) Sulfides Using Heteroaryl Ethers and S-Heteroaryl Thioesters via Heteroarylthio Exchange.","The Journal of organic chemistry","2017","82","1","804","810","10.1021/acs.joc.6b02585","","","0.71075","MoKα","","0.1035","0.0586","","","0.1371","0.1993","","","","","","1.135","","","","has coordinates","193214","2020-10-21","18:00:00",""
"4032213","10.4251","0.0002","12.3394","0.0003","14.8471","0.0003","81.0026","0.001","79.8305","0.0012","72.2883","0.0011","1780.04","0.07","150","1","150","1","","","","","","","","4","P -1","-P 1","2","","","","- C37 H51 Fe N7 -","- C37 H51 Fe N7 -","- C74 H102 Fe2 N14 -","2","1","","Spahn, Nathan A.; Nguyen, Minh H.; Renner, Jonas; Lane, Timothy K.; Louie, Janis","Regioselective Iron-Catalyzed [2 + 2 + 2] Cycloaddition Reaction Forming 4,6-Disubstituted 2-Aminopyridines from Terminal Alkynes and Cyanamides.","The Journal of organic chemistry","2017","82","1","234","242","10.1021/acs.joc.6b02374","","","0.71073","MoKα","","0.0586","0.0407","","","0.0973","0.1067","","","","","","1.029","","","","has coordinates","193215","2020-10-21","18:00:00",""
"4032214","6.0519","0.0003","7.661","0.0004","11.9361","0.0006","88.489","0.004","87.47","0.004","86.454","0.004","551.65","0.05","120","2","120","2","","","","","","","","5","P 1","P 1","1","","","","- C20 H21 N5 O8 S -","- C20 H21 N5 O8 S -","- C20 H21 N5 O8 S -","1","1","","Ručil, Tomáš; Trávníček, Zdeněk; Cankař, Petr","Ring-Opening Reactions of the N-4-Nosyl Hough-Richardson Aziridine with Nitrogen Nucleophiles.","The Journal of organic chemistry","2017","82","1","723","730","10.1021/acs.joc.6b01942","","","0.71073","MoKα","","0.0571","0.0462","","","0.0996","0.1047","","","","","","1.053","","","","has coordinates","193216","2020-10-21","18:00:00",""
"4032215","7.2594","0.0003","10.1015","0.0004","26.4392","0.0012","90","","90","","90","","1938.81","0.14","293","2","293","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C20 H21 N O5 S -","- C20 H21 N O5 S -","- C80 H84 N4 O20 S4 -","4","1","","Li, Xiang; Huang, Wei; Liu, Yan-Qing; Kang, Jing-Wen; Xia, Dan; He, Gu; Peng, Cheng; Han, Bo","Control of Activation Mode To Achieve Diastereodivergence in Asymmetric Syntheses of Chiral Spiropiperidinone Derivatives.","The Journal of organic chemistry","2017","82","1","397","406","10.1021/acs.joc.6b02489","","","0.71073","MoKα","","0.055","0.0486","","","0.121","0.1264","","","","","","1.06","","","","has coordinates","193217","2020-10-21","18:00:00",""
"4032216","11.1118","0.0009","21.422","0.0018","10.2188","0.0009","90","","90","","90","","2432.5","0.4","296","2","296","2","","","","","","","","6","P 21 21 2","P 2 2ab","18","","","","- C23 H29 N O6 S Si -","- C23 H29 N O6 S Si -","- C92 H116 N4 O24 S4 Si4 -","4","1","","Li, Xiang; Huang, Wei; Liu, Yan-Qing; Kang, Jing-Wen; Xia, Dan; He, Gu; Peng, Cheng; Han, Bo","Control of Activation Mode To Achieve Diastereodivergence in Asymmetric Syntheses of Chiral Spiropiperidinone Derivatives.","The Journal of organic chemistry","2017","82","1","397","406","10.1021/acs.joc.6b02489","","","0.71073","MoKα","","0.0744","0.0445","","","0.0704","0.0788","","","","","","1.022","","","","has coordinates","193218","2020-10-21","18:00:00",""
"4032217","8.0753","0.0009","24.06","0.003","9.5701","0.001","90","","96.738","0.005","90","","1846.5","0.4","200","2","200","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C21 H15 Br O5 -","- C21 H15 Br O5 -","- C84 H60 Br4 O20 -","4","1","","Yang, Shu-Mei; Madhusudhan Reddy, Ganapuram; Liu, Meng-Hsien; Wang, Tzu-Ping; Yu, Jhen-Kuei; Lin, Wenwei","Diastereoselective Synthesis of Rauhut-Currier-Type Adducts via an Unexpected α-Addition of α,β-Unsaturated γ-Butyrolactams to Coumarin Derivatives.","The Journal of organic chemistry","2017","82","1","781","789","10.1021/acs.joc.6b02526","","","0.71073","MoKα","","0.1365","0.0623","","","0.1501","0.2097","","","","","","1.105","","","","has coordinates,has disorder","193219","2020-10-21","18:00:00",""
"4032218","8.716","0.0008","9.5661","0.0006","27.714","0.002","90","","93.51","0.004","90","","2306.4","0.3","200","2","200","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C25 H22 Br N O6 -","- C25 H22 Br N O6 -","- C100 H88 Br4 N4 O24 -","4","1","","Yang, Shu-Mei; Madhusudhan Reddy, Ganapuram; Liu, Meng-Hsien; Wang, Tzu-Ping; Yu, Jhen-Kuei; Lin, Wenwei","Diastereoselective Synthesis of Rauhut-Currier-Type Adducts via an Unexpected α-Addition of α,β-Unsaturated γ-Butyrolactams to Coumarin Derivatives.","The Journal of organic chemistry","2017","82","1","781","789","10.1021/acs.joc.6b02526","","","0.71073","MoKα","","0.1354","0.0596","","","0.1389","0.2125","","","","","","1.034","","","","has coordinates,has disorder","193220","2020-10-21","18:00:00",""
"4032219","35.968","0.006","13.63","0.003","10.231","0.002","90","","93.174","0.01","90","","5008","1.7","200","2","200","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C24 H24 Br N O5 -","- C24 H24 Br N O5 -","- C192 H192 Br8 N8 O40 -","8","1","","Yang, Shu-Mei; Madhusudhan Reddy, Ganapuram; Liu, Meng-Hsien; Wang, Tzu-Ping; Yu, Jhen-Kuei; Lin, Wenwei","Diastereoselective Synthesis of Rauhut-Currier-Type Adducts via an Unexpected α-Addition of α,β-Unsaturated γ-Butyrolactams to Coumarin Derivatives.","The Journal of organic chemistry","2017","82","1","781","789","10.1021/acs.joc.6b02526","","","0.71073","MoKα","","0.099","0.047","","","0.1006","0.1147","","","","","","0.921","","","","has coordinates","193221","2020-10-21","18:00:00",""
"4032220","7.813","0.0001","11.5034","0.0002","14.4925","0.0002","90","","90","","90","","1302.53","0.03","200","","200","","","","","","","","local","4","P 21 21 21","P 2ac 2ab","19","","","","- C11 H17 I O4 -","- C11 H17 I O4 -","- C44 H68 I4 O16 -","4","1","","Taher, Ehab S.; Guest, Prue; Benton, Amanda; Ma, Xinghua; Banwell, Martin G.; Willis, Anthony C.; Seiser, Tobias; Newton, Trevor W.; Hutzler, Johannes","The Synthesis of Certain Phomentrioloxin A Analogues and Their Evaluation as Herbicidal Agents.","The Journal of organic chemistry","2017","82","1","211","233","10.1021/acs.joc.6b02372","","","0.71073","MoKα","","0.0221","0.021","","0.0511","0.0504","0.0511","","","","","","1.0039","","","","has coordinates","193222","2020-10-21","18:00:00",""
"4032221","16.8154","0.0008","4.5652","0.0002","15.701","0.0008","90","","120.592","0.0019","90","","1037.53","0.09","200","","200","","","","","","","","local","4","C 1 2 1","C 2y","5","","","","- C7 H13 I O5 -","- C7 H13 I O5 -","- C28 H52 I4 O20 -","4","1","","Taher, Ehab S.; Guest, Prue; Benton, Amanda; Ma, Xinghua; Banwell, Martin G.; Willis, Anthony C.; Seiser, Tobias; Newton, Trevor W.; Hutzler, Johannes","The Synthesis of Certain Phomentrioloxin A Analogues and Their Evaluation as Herbicidal Agents.","The Journal of organic chemistry","2017","82","1","211","233","10.1021/acs.joc.6b02372","","","0.71073","MoKα","","0.0339","0.0306","","0.0734","0.0708","0.0734","","","","","","0.9928","","","","has coordinates","193223","2020-10-21","18:00:00",""
"4032222","17.5832","0.0015","4.7115","0.0001","13.4131","0.0008","90","","111.36","0.012","90","","1034.86","0.14","150","","150","","","","","","","","local","4","C 1 2 1","C 2y","5","","","","- C7 H13 I O5 -","- C7 H13 I O5 -","- C28 H52 I4 O20 -","4","1","","Taher, Ehab S.; Guest, Prue; Benton, Amanda; Ma, Xinghua; Banwell, Martin G.; Willis, Anthony C.; Seiser, Tobias; Newton, Trevor W.; Hutzler, Johannes","The Synthesis of Certain Phomentrioloxin A Analogues and Their Evaluation as Herbicidal Agents.","The Journal of organic chemistry","2017","82","1","211","233","10.1021/acs.joc.6b02372","","","1.5418","CuKα","","0.0222","0.0217","","0.0594","0.0587","0.0594","","","","","","1.0009","","","","has coordinates","193224","2020-10-21","18:00:00",""
"4032223","7.445","0.004","12.465","0.005","16.095","0.006","90","","90","","90","","1493.6","1.1","120","2","120","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C17 H16 N2 O3 -","- C17 H16 N2 O3 -","- C68 H64 N8 O12 -","4","1","","Majewski, Mark W.; Miller, Patricia A.; Oliver, Allen G.; Miller, Marvin J.","Alternate ""Drug"" Delivery Utilizing β-Lactam Cores: Syntheses and Biological Evaluation of β-Lactams Bearing Isocyanate Precursors.","The Journal of organic chemistry","2017","82","1","737","744","10.1021/acs.joc.6b02272","","","1.54184","CuKα","","0.041","0.0401","","","0.1058","0.107","","","","","","1.034","","","","has coordinates","193225","2020-10-21","18:00:00",""
"4032224","6.153","0.002","28.21","0.009","9.988","0.003","90","","90.59","0.007","90","","1733.6","0.9","200","2","200","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C18 H25 N O3 S -","- C18 H25 N O3 S -","- C72 H100 N4 O12 S4 -","4","1","","Zhong, Chang-Zhi; Tung, Po-Ting; Chao, Tsung-Han; Yeh, Ming-Chang P","Gold-Catalyzed Stereoselective Synthesis of Bicyclic Lactams and Ketones from N-Tosylynamidomethyl-Tethered Cyclohexenes.","The Journal of organic chemistry","2017","82","1","481","501","10.1021/acs.joc.6b02479","","","0.71073","MoKα","","0.1082","0.1011","","","0.2978","0.3034","","","","","","1.112","","","","has coordinates","193226","2020-10-21","18:00:00",""
"4032225","36.221","0.007","6.0462","0.0011","20.697","0.004","90","","120.45","0.002","90","","3907.5","1.3","200","2","200","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C22 H23 N O4 S -","- C22 H23 N O4 S -","- C176 H184 N8 O32 S8 -","8","1","","Zhong, Chang-Zhi; Tung, Po-Ting; Chao, Tsung-Han; Yeh, Ming-Chang P","Gold-Catalyzed Stereoselective Synthesis of Bicyclic Lactams and Ketones from N-Tosylynamidomethyl-Tethered Cyclohexenes.","The Journal of organic chemistry","2017","82","1","481","501","10.1021/acs.joc.6b02479","","","0.71073","MoKα","","0.0405","0.0343","","","0.0936","0.0988","","","","","","1.073","","","","has coordinates","193227","2020-10-21","18:00:00",""
"4032226","18.318","0.006","5.547","0.002","20.496","0.007","90","","109.811","0.006","90","","1959.3","1.2","200","2","200","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C23 H25 N O3 S -","- C23 H25 N O3 S -","- C92 H100 N4 O12 S4 -","4","1","","Zhong, Chang-Zhi; Tung, Po-Ting; Chao, Tsung-Han; Yeh, Ming-Chang P","Gold-Catalyzed Stereoselective Synthesis of Bicyclic Lactams and Ketones from N-Tosylynamidomethyl-Tethered Cyclohexenes.","The Journal of organic chemistry","2017","82","1","481","501","10.1021/acs.joc.6b02479","","","0.71073","MoKα","","0.0955","0.05","","","0.1086","0.1266","","","","","","1.015","","","","has coordinates","193228","2020-10-21","18:00:00",""
"4032227","10.2479","0.0006","9.0512","0.0004","19.2696","0.0012","90","","94.084","0.004","90","","1782.83","0.17","200","2","200","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C20 H21 N O2 S2 -","- C20 H21 N O2 S2 -","- C80 H84 N4 O8 S8 -","4","1","","Zhong, Chang-Zhi; Tung, Po-Ting; Chao, Tsung-Han; Yeh, Ming-Chang P","Gold-Catalyzed Stereoselective Synthesis of Bicyclic Lactams and Ketones from N-Tosylynamidomethyl-Tethered Cyclohexenes.","The Journal of organic chemistry","2017","82","1","481","501","10.1021/acs.joc.6b02479","","","0.71073","MoKα","","0.1368","0.0853","","","0.2079","0.2312","","","","","","1.138","","","","has coordinates","193229","2020-10-21","18:00:00",""
"4032228","12.3783","0.0009","17.2914","0.0013","18.284","0.0014","90","","90","","90","","3913.5","0.5","200","2","200","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C23 H25 N O2 S -","- C23 H25 N O2 S -","- C184 H200 N8 O16 S8 -","8","1","","Zhong, Chang-Zhi; Tung, Po-Ting; Chao, Tsung-Han; Yeh, Ming-Chang P","Gold-Catalyzed Stereoselective Synthesis of Bicyclic Lactams and Ketones from N-Tosylynamidomethyl-Tethered Cyclohexenes.","The Journal of organic chemistry","2017","82","1","481","501","10.1021/acs.joc.6b02479","","","0.71073","MoKα","","0.0947","0.0445","","","0.1062","0.1311","","","","","","1.009","","","","has coordinates","193230","2020-10-21","18:00:00",""
"4032229","8.0991","0.0003","11.0021","0.0004","12.0817","0.0004","95.876","0.002","96.881","0.002","97.458","0.002","1052.14","0.07","296","2","296","2","","","","","","","","5","P -1","-P 1","2","","","","- C24 H25 N O4 S -","- C24 H25 N O4 S -","- C48 H50 N2 O8 S2 -","2","1","","Zhong, Chang-Zhi; Tung, Po-Ting; Chao, Tsung-Han; Yeh, Ming-Chang P","Gold-Catalyzed Stereoselective Synthesis of Bicyclic Lactams and Ketones from N-Tosylynamidomethyl-Tethered Cyclohexenes.","The Journal of organic chemistry","2017","82","1","481","501","10.1021/acs.joc.6b02479","","","0.71073","MoKα","","0.0974","0.0656","","","0.1692","0.19","","","","","","1.065","","","","has coordinates,has disorder","193231","2020-10-21","18:00:00",""
"4032230","10.759","0.0012","14.439","0.0015","15.4335","0.0015","86.843","0.003","89.521","0.003","80.881","0.003","2363.7","0.4","200","2","200","2","","","","","","","","5","P -1","-P 1","2","","","","- C28 H27 N O4 S -","- C28 H27 N O4 S -","- C112 H108 N4 O16 S4 -","4","2","","Zhong, Chang-Zhi; Tung, Po-Ting; Chao, Tsung-Han; Yeh, Ming-Chang P","Gold-Catalyzed Stereoselective Synthesis of Bicyclic Lactams and Ketones from N-Tosylynamidomethyl-Tethered Cyclohexenes.","The Journal of organic chemistry","2017","82","1","481","501","10.1021/acs.joc.6b02479","","","0.71073","MoKα","","0.1199","0.0594","","","0.1131","0.1454","","","","","","0.99","","","","has coordinates","193232","2020-10-21","18:00:00",""
"4032231","6.0902","0.0006","14.6898","0.0015","23.027","0.003","90","","91.588","0.007","90","","2059.3","0.4","200","2","200","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C23 H25 N O5 S -","- C23 H25 N O5 S -","- C92 H100 N4 O20 S4 -","4","1","","Zhong, Chang-Zhi; Tung, Po-Ting; Chao, Tsung-Han; Yeh, Ming-Chang P","Gold-Catalyzed Stereoselective Synthesis of Bicyclic Lactams and Ketones from N-Tosylynamidomethyl-Tethered Cyclohexenes.","The Journal of organic chemistry","2017","82","1","481","501","10.1021/acs.joc.6b02479","","","0.71073","MoKα","","0.155","0.0558","","","0.1041","0.1376","","","","","","0.998","","","","has coordinates","193233","2020-10-21","18:00:00",""
"4032232","12.0743","0.0016","13.2209","0.0018","17.073","0.002","71.182","0.003","73.445","0.003","83.504","0.003","2472.1","0.6","100","","100","","","","","","","","","6","P -1","-P 1","2","Expanded Porphyrin","Heterocyclic Macrocycle","","- C118 H114 F28 N4 O12 S4 -","- C118 H62 F28 N4 O12 S4 -","- C118 H62 F28 N4 O12 S4 -","1","0.5","","Mallick, Abhijit; Oh, Juwon; Majewski, Marcin A.; Stępień, Marcin; Kim, Dongho; Rath, Harapriya","Protonation Dependent Topological Dichotomy of Core Modified Hexaphyrins: Synthesis, Characterization, and Excited State Dynamics.","The Journal of organic chemistry","2017","82","1","556","566","10.1021/acs.joc.6b02576","","","0.71073","MoKα","","0.1292","0.0737","","","0.1876","0.2249","","","","","","1.038","","","","has coordinates,has disorder","193234","2020-10-21","18:00:00",""
"4032233","12.123","0.006","18.835","0.01","19.026","0.01","113.593","0.005","100.841","0.006","90.554","0.006","3893","3","100","","100","","","","","","","","","6","P -1","-P 1","2","Expanded phorphyrin","Fused Heterocyclic macrocycle","","- C88 H58 F10 N4 O3 S4 -","- C88 H58 F10 N4 O3 S4 -","- C176 H116 F20 N8 O6 S8 -","2","1","","Mallick, Abhijit; Oh, Juwon; Majewski, Marcin A.; Stępień, Marcin; Kim, Dongho; Rath, Harapriya","Protonation Dependent Topological Dichotomy of Core Modified Hexaphyrins: Synthesis, Characterization, and Excited State Dynamics.","The Journal of organic chemistry","2017","82","1","556","566","10.1021/acs.joc.6b02576","","","0.71073","MoKα","","0.0947","0.0677","","","0.1828","0.2107","","","","","","1.023","","","","has coordinates,has disorder","193235","2020-10-21","18:00:00",""
"4032234","35.044","0.002","8.284","0.0006","12.6899","0.0007","90","","98.376","0.005","90","","3644.6","0.4","292.81","0.1","292.81","0.1","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C20 H23 N O3 S -","- C20 H23 N O3 S -","- C160 H184 N8 O24 S8 -","8","1","","Chen, Jian-Qiang; Yu, Wan-Lei; Wei, Yun-Long; Li, Teng-Hui; Xu, Peng-Fei","Photoredox-Induced Functionalization of Alkenes for the Synthesis of Substituted Imidazolines and Oxazolidines.","The Journal of organic chemistry","2017","82","1","243","249","10.1021/acs.joc.6b02377","","","0.71073","MoKα","","0.0885","0.0524","","","0.1134","0.1384","","","","","","1.039","","","","has coordinates","193236","2020-10-21","18:00:00",""
"4032235","14.384","0.005","10.019","0.005","15.264","0.005","90","0.005","102.399","0.005","90","0.005","2148.4","1.5","293","2","293","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C25 H24 F N O -","- C25 H24 F N O -","- C100 H96 F4 N4 O4 -","4","1","","Bera, Sourav Sekhar; Debbarma, Suvankar; Ghosh, Avick Kumar; Chand, Santanu; Maji, Modhu Sudan","Cp*Co(III)-Catalyzed syn-Selective C-H Hydroarylation of Alkynes Using Benzamides: An Approach Toward Highly Conjugated Organic Frameworks.","The Journal of organic chemistry","2017","82","1","420","430","10.1021/acs.joc.6b02516","","","0.71069","MoKα","","0.18","0.0624","","","0.1425","0.19","","","","","","0.801","","","","has coordinates","193237","2020-10-21","18:00:00",""
"4032236","17.566","0.005","16.38","0.005","22.132","0.005","90","0.005","90","0.005","90","0.005","6368","3","293","2","293","2","","","","","","","","4","P c a b","-P 2bc 2ac","61","","","","- C39 H35 N O -","- C39 H35 N O -","- C312 H280 N8 O8 -","8","1","","Bera, Sourav Sekhar; Debbarma, Suvankar; Ghosh, Avick Kumar; Chand, Santanu; Maji, Modhu Sudan","Cp*Co(III)-Catalyzed syn-Selective C-H Hydroarylation of Alkynes Using Benzamides: An Approach Toward Highly Conjugated Organic Frameworks.","The Journal of organic chemistry","2017","82","1","420","430","10.1021/acs.joc.6b02516","","","0.71069","MoKα","","0.1249","0.064","","","0.1648","0.2075","","","","","","0.944","","","","has coordinates","193237","2020-10-21","18:00:00",""
"4032237","7.8315","0.001","17.644","0.002","13.1719","0.0019","90","","96.333","0.011","90","","1809","0.4","295","2","295","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C16 H18 Cl N3 O5 -","- C16 H18 Cl N3 O5 -","- C64 H72 Cl4 N12 O20 -","4","1","","Eliseeva, Alexandra I.; Nesterenko, Olga O.; Slepukhin, Pavel A.; Benassi, Enrico; Belskaya, Nataliya P.","Synthesis and Fluorescent Behaviour of 2-Aryl-4,5-dihydro-1H-1,2,4-triazoles.","The Journal of organic chemistry","2017","82","1","86","100","10.1021/acs.joc.6b02144","","","0.71073","MoKα","","0.1101","0.0396","","","0.0757","0.0829","","","","","","1","","","","has coordinates","193238","2020-10-21","18:00:00",""
"4032238","8.0289","0.0003","10.1511","0.0005","22.4007","0.0012","82.712","0.004","86.457","0.004","86.322","0.004","1804.57","0.15","295","2","295","2","","","","","","","","4","P -1","-P 1","2","","","","- C17 H18 N4 O5 -","- C17 H18 N4 O5 -","- C68 H72 N16 O20 -","4","2","","Eliseeva, Alexandra I.; Nesterenko, Olga O.; Slepukhin, Pavel A.; Benassi, Enrico; Belskaya, Nataliya P.","Synthesis and Fluorescent Behaviour of 2-Aryl-4,5-dihydro-1H-1,2,4-triazoles.","The Journal of organic chemistry","2017","82","1","86","100","10.1021/acs.joc.6b02144","","","0.7107","MoKα","","0.1047","0.0592","","","0.1644","0.2027","","","","","","1.007","","","","has coordinates","193238","2020-10-21","18:00:00",""
"4032239","10.4037","0.0006","8.6319","0.0004","19.9954","0.0014","90","","92.563","0.006","90","","1793.86","0.18","295","2","295","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C16 H18 Cl N3 O5 -","- C16 H18 Cl N3 O5 -","- C64 H72 Cl4 N12 O20 -","4","1","","Eliseeva, Alexandra I.; Nesterenko, Olga O.; Slepukhin, Pavel A.; Benassi, Enrico; Belskaya, Nataliya P.","Synthesis and Fluorescent Behaviour of 2-Aryl-4,5-dihydro-1H-1,2,4-triazoles.","The Journal of organic chemistry","2017","82","1","86","100","10.1021/acs.joc.6b02144","","","0.7107","MoKα","","0.1459","0.0585","","","0.1226","0.1605","","","","","","1.004","","","","has coordinates","193238","2020-10-21","18:00:00",""
"4032240","7.8569","0.0005","18.165","0.002","14.8317","0.0017","90","","98.142","0.008","90","","2095.5","0.4","295","2","295","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C22 H23 N3 O5 -","- C22 H23 N3 O5 -","- C88 H92 N12 O20 -","4","1","","Eliseeva, Alexandra I.; Nesterenko, Olga O.; Slepukhin, Pavel A.; Benassi, Enrico; Belskaya, Nataliya P.","Synthesis and Fluorescent Behaviour of 2-Aryl-4,5-dihydro-1H-1,2,4-triazoles.","The Journal of organic chemistry","2017","82","1","86","100","10.1021/acs.joc.6b02144","","","0.71073","MoKα","","0.0972","0.0386","","","0.077","0.0817","","","","","","1.009","","","","has coordinates","193238","2020-10-21","18:00:00",""
"4032241","13.6688","0.0004","21.5451","0.0007","16.0285","0.0003","90","","90.831","0.002","90","","4719.8","0.2","100","","100","","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","7-benzyl-2,3-diphenyl-7H-imidazo[2,1-a]pyrrolo[3,2-c]isoquinoline","","- C32 H24 N3 O0.5 -","- C32 H24 N3 O0.5 -","- C256 H192 N24 O4 -","8","2","","Tomashenko, Olesya A.; Novikov, Mikhail S.; Khlebnikov, Alexander F.","NHC as the Guiding Factor in a Copper-Catalyzed Intramolecular C Arylation of Pyrrolylimidazolium Salts: Synthesis of Luminescent Heterotetracyclic Frameworks.","The Journal of organic chemistry","2017","82","1","616","623","10.1021/acs.joc.6b02627","","","1.54184","CuKα","","0.0519","0.0437","","","0.1069","0.1129","","","","","","1.02","","","","has coordinates","250444","2020-10-21","18:00:00",""
"4032242","11.9329","0.0019","6.4776","0.0008","14.471","0.004","90","","107.99","0.02","90","","1063.9","0.4","293","2","293","2","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","","","- C13 H15 O2 -","- C13 H15 O2 -","- C52 H60 O8 -","4","1","","D'yakonov, Vladimir A.; Kadikova, Gulnara N.; Dzhemileva, Lilya U.; Gazizullina, Guzel F.; Ramazanov, Ilfir R.; Dzhemilev, Usein M.","Cobalt-Catalyzed [6 + 2] Cycloaddition of Alkynes with 1,3,5,7-Cyclooctatetraene as a Key Element in the Direct Construction of Substituted Bicyclo[4.3.1]decanes.","The Journal of organic chemistry","2017","82","1","471","480","10.1021/acs.joc.6b02540","","","0.7107","MoKα","","0.1183","0.08","","","0.2033","0.2494","","","","","","1.246","","","","has coordinates","193240","2020-10-21","18:00:00",""
"4032243","8.1146","0.0011","19.14","0.003","11.5187","0.0016","90","","110.431","0.003","90","","1676.5","0.4","120","","120","","","","","","","","","5","P 1 21 1","P 2yb","4","","(S)-N-(2-(5-bromo-2-methyl-1H-indol-3-yl)-1-phenylethyl)acetamide","","- C19 H19 Br N2 O -","- C19 H19 Br N2 O -","- C76 H76 Br4 N8 O4 -","4","2","","Salikov, Rinat F.; Trainov, Konstantin P.; Levina, Anastasia A.; Belousova, Irina K.; Medvedev, Michael G.; Tomilov, Yury V.","Synthesis of Branched Tryptamines via the Domino Cloke-Stevens/Grandberg Rearrangement.","The Journal of organic chemistry","2017","82","1","790","795","10.1021/acs.joc.6b02578","","","0.71073","MoKα","","0.0567","0.0382","","","0.0718","0.0772","","","","","","0.898","","","","has coordinates","193241","2020-10-21","18:00:00",""
"4032244","11.2358","0.0006","11.5376","0.0006","12.5681","0.0009","85.28","0.005","89.607","0.005","87.723","0.004","1622.44","0.17","294.44","0.1","294.44","0.1","","","","","","","","3","P -1","-P 1","2","","","","- C38 H46 O7 -","- C38 H46 O7 -","- C76 H92 O14 -","2","1","","Zhang, Yu-Fei; Cao, Xiao-Ping; Chow, Hak-Fun; Kuck, Dietmar","Tribenzotriquinacene-Based Crown Ethers: Synthesis and Selective Complexation with Ammonium Salts.","The Journal of organic chemistry","2017","82","1","179","187","10.1021/acs.joc.6b02326","","","0.71073","MoKα","","0.109","0.0792","","","0.2094","0.2369","","","","","","1.043","","","","has coordinates","193242","2020-10-21","18:00:00",""
"4032245","12.7954","0.0006","10.4","0.0006","16.4115","0.0008","90","","105.687","0.006","90","","2102.6","0.2","293","2","293","2","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","","","- C25 H26 O4 -","- C25 H26 O4 -","- C100 H104 O16 -","4","1","","Zhang, Yu-Fei; Cao, Xiao-Ping; Chow, Hak-Fun; Kuck, Dietmar","Tribenzotriquinacene-Based Crown Ethers: Synthesis and Selective Complexation with Ammonium Salts.","The Journal of organic chemistry","2017","82","1","179","187","10.1021/acs.joc.6b02326","","","0.71073","MoKα","","0.1192","0.0614","","","0.1113","0.1505","","","","","","1.068","","","","has coordinates","193243","2020-10-21","18:00:00",""
"4032246","12.8918","0.0005","11.5509","0.0005","12.5129","0.0005","90","","100.235","0.004","90","","1833.67","0.13","293","2","293","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C25 H22 O2 -","- C25 H22 O2 -","- C100 H88 O8 -","4","1","","Zhang, Yu-Fei; Cao, Xiao-Ping; Chow, Hak-Fun; Kuck, Dietmar","Tribenzotriquinacene-Based Crown Ethers: Synthesis and Selective Complexation with Ammonium Salts.","The Journal of organic chemistry","2017","82","1","179","187","10.1021/acs.joc.6b02326","","","1.54184","CuKα","","0.0488","0.0471","","","0.1226","0.1244","","","","","","1.046","","","","has coordinates","193244","2020-10-21","18:00:00",""
"4032247","12.843","0.012","11.009","0.01","18.175","0.017","90","","103.298","0.012","90","","2501","4","296","2","296","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C29 H21 N5 O3 -","- C29 H21 N5 O3 -","- C116 H84 N20 O12 -","4","1","","Mukherjee, Prasun; Das, Asish R.","Spirocyclopropanes from Intramolecular Cyclopropanation of Pyranopyrazoles and Pyranopyrimidine-diones and Lewis Acid Mediated (3 + 2) Cycloadditions of Spirocyclopropylpyrazolones.","The Journal of organic chemistry","2017","82","5","2794","2802","10.1021/acs.joc.7b00089","","","0.71073","MoKα","","0.1038","0.0611","","","0.1786","0.2123","","","","","","1.005","","","","has coordinates","193245","2020-10-21","18:00:00",""
"4032248","13.565","0.011","11.634","0.009","14.456","0.011","90","","93.247","0.012","90","","2278","3","296","2","296","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C27 H19 N5 O S -","- C27 H19 N5 O S -","- C108 H76 N20 O4 S4 -","4","1","","Mukherjee, Prasun; Das, Asish R.","Spirocyclopropanes from Intramolecular Cyclopropanation of Pyranopyrazoles and Pyranopyrimidine-diones and Lewis Acid Mediated (3 + 2) Cycloadditions of Spirocyclopropylpyrazolones.","The Journal of organic chemistry","2017","82","5","2794","2802","10.1021/acs.joc.7b00089","","","0.71073","MoKα","","0.1012","0.0461","","","0.0998","0.12","","","","","","1.026","","","","has coordinates","193246","2020-10-21","18:00:00",""
"4032249","20.8628","0.0009","21.7014","0.0013","22.9812","0.001","90","","116.1","0.002","90","","9343.8","0.8","113","","113","","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C198 H211 N24 O21.5 S9 -","- C198 H210 N24 O21.5 S9 -","- C396 H420 N48 O43 S18 -","2","1","","Wang, Zhenzhen; Nour, Hany F.; Roch, Loïc M; Guo, Minjie; Li, Wenjiao; Baldridge, Kim K.; Sue, Andrew C. H.; Olson, Mark A.","[3+3] Cyclocondensation of Disubstituted Biphenyl Dialdehydes: Access to Inherently Luminescent and Optically Active Hexa-substituted C3-Symmetric and Asymmetric Trianglimine Macrocycles.","The Journal of organic chemistry","2017","82","5","2472","2480","10.1021/acs.joc.6b02868","","","0.71073","MoKα","","0.0424","0.0391","","","0.1013","0.1036","","","","","","1.037","","","","has coordinates,has disorder","193247","2020-10-21","18:00:00",""
"4032250","12.3866","0.00018","27.0237","0.0004","16.157","0.0003","90","","103.096","0.0015","90","","5267.6","0.15","","","","","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C49 H72 Cl N O11 P -","- C49 Cl N1.5 O10.5 P -","- C196 Cl4 N6 O42 P4 -","4","2","","Liu, Shuang; Li, Yuming; Yin, Zhiyu; Yu, Qiuli; Miao, Zhiwei","Diastereoselective Synthesis of Adjacent P,C-Stereogenic β-N-Glycosidic Linked α-Aminophosphinates.","The Journal of organic chemistry","2017","82","5","2481","2488","10.1021/acs.joc.6b02877","","x-ray","0.71073","MoKα","","0.074","0.0694","","","0.2041","0.208","","","","","","1.622","","","","has coordinates","278046","2022-09-21","15:45:40",""
"4032251","12.6934","0.0011","18.5229","0.0016","14.3034","0.0012","90","","112.18","0.0012","90","","3114.1","0.5","100","2","100.62","","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C35 H46 B N O2 -","- C35 H46 B N O2 -","- C140 H184 B4 N4 O8 -","4","1","","Ibarra-Rodrı Guez, Marisol; Muñoz-Flores, Blanca M; Dias, H. V. Rasika; Sánchez, Mario; Gomez-Treviño, Alberto; Santillan, Rosa; Farfán, Norberto; Jiménez-Pérez, Víctor M","Fluorescent Molecular Rotors of Organoboron Compounds from Schiff Bases: Synthesis, Viscosity, Reversible Thermochromism, Cytotoxicity, and Bioimaging Cells.","The Journal of organic chemistry","2017","82","5","2375","2385","10.1021/acs.joc.6b02802","","","0.71073","MoKα","","0.0596","0.0529","","","0.1298","0.1355","","","","","","1.033","","","","has coordinates,has disorder","193249","2020-10-21","18:00:00",""
"4032252","18.851","0.006","17.727","0.006","18.924","0.006","90","","96.903","0.005","90","","6278","4","101","2","101.2","","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C67 H92 B2 N2 O5 -","- C67 H92 B2 N2 O5 -","- C268 H368 B8 N8 O20 -","4","1","","Ibarra-Rodrı Guez, Marisol; Muñoz-Flores, Blanca M; Dias, H. V. Rasika; Sánchez, Mario; Gomez-Treviño, Alberto; Santillan, Rosa; Farfán, Norberto; Jiménez-Pérez, Víctor M","Fluorescent Molecular Rotors of Organoboron Compounds from Schiff Bases: Synthesis, Viscosity, Reversible Thermochromism, Cytotoxicity, and Bioimaging Cells.","The Journal of organic chemistry","2017","82","5","2375","2385","10.1021/acs.joc.6b02802","","","0.71073","MoKα","","0.1061","0.0719","","","0.1758","0.1971","","","","","","1.014","","","","has coordinates,has disorder","193249","2020-10-21","18:00:00",""
"4032253","6.75819","0.00013","8.55021","0.00016","24.5163","0.0005","90","","97.7995","0.0019","90","","1403.54","0.05","293","","293","","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C19 H16 O -","- C19 H16 O -","- C76 H64 O4 -","4","1","","Huang, Jin; Wang, Wei; He, Hai-Yu; Jian, Lei; Fu, Hai-Yan; Zheng, Xue-Li; Chen, Hua; Li, Rui-Xiang","An Approach to the Synthesis of 1-Propenylnaphthols and 3-Arylnaphtho[2,1-b]furans.","The Journal of organic chemistry","2017","82","5","2523","2534","10.1021/acs.joc.6b02902","","x-ray","1.54184","CuKα","","0.0552","0.0514","","","0.1391","0.1445","","","","","","1.0658","","","","has coordinates","255805","2020-10-21","18:00:00",""
"4032254","8.95","0.001","9.477","0.001","32.179","0.002","83.849","0.002","87.952","0.002","64.773","0.001","2454.7","0.4","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C15 H8 F9 N3 O -","- C15 H8 F9 N3 O -","- C90 H48 F54 N18 O6 -","6","3","","Yang, Kai; Dang, Qun; Cai, Pei-Jun; Gao, Yang; Yu, Zhi-Xiang; Bai, Xu","Reaction of Aldehydes/Ketones with Electron-Deficient 1,3,5-Triazines Leading to Functionalized Pyrimidines as Diels-Alder/Retro-Diels-Alder Reaction Products: Reaction Development and Mechanistic Studies.","The Journal of organic chemistry","2017","82","5","2336","2344","10.1021/acs.joc.6b02570","","","0.71073","MoKα","","0.1039","0.0686","","","0.1757","0.2111","","","","","","1.175","","","","has coordinates,has disorder","193251","2020-10-21","18:00:00",""
"4032255","15.5375","0.001","6.0426","0.0004","23.7983","0.0016","90","","93.08","0.003","90","","2231.1","0.3","90","0.5","90","0.5","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C27 H17 B Cl2 F2 N2 -","- C27 H17 B Cl2 F2 N2 -","- C108 H68 B4 Cl8 F8 N8 -","4","1","","Xuan, Sunting; Zhao, Ning; Ke, Xiangyi; Zhou, Zehua; Fronczek, Frank R.; Kadish, Karl M.; Smith, Kevin M.; Vicente, M Graça H","Synthesis and Spectroscopic Investigation of a Series of Push-Pull Boron Dipyrromethenes (BODIPYs).","The Journal of organic chemistry","2017","82","5","2545","2557","10.1021/acs.joc.6b02941","","","0.71073","MoKα","","0.0626","0.0408","","","0.0985","0.1091","","","","","","1.034","","","","has coordinates","193252","2020-10-21","18:00:00",""
"4032256","27.801","0.003","8.5828","0.0011","25.471","0.004","90","","105.021","0.01","90","","5870","1.4","90","0.5","90","0.5","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C39 H27 B F2 N2 -","- C39 H27 B F2 N2 -","- C312 H216 B8 F16 N16 -","8","1","","Xuan, Sunting; Zhao, Ning; Ke, Xiangyi; Zhou, Zehua; Fronczek, Frank R.; Kadish, Karl M.; Smith, Kevin M.; Vicente, M Graça H","Synthesis and Spectroscopic Investigation of a Series of Push-Pull Boron Dipyrromethenes (BODIPYs).","The Journal of organic chemistry","2017","82","5","2545","2557","10.1021/acs.joc.6b02941","","","0.71073","MoKα","","0.1578","0.0767","","","0.1759","0.218","","","","","","0.981","","","","has coordinates","193252","2020-10-21","18:00:00",""
"4032257","13.7912","0.0004","10.6546","0.0004","15.2354","0.0006","90","","99.863","0.002","90","","2205.6","0.14","90","0.5","90","0.5","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C23 H13 B Cl4 F2 N2 O2 -","- C23 H13 B Cl4 F2 N2 O2 -","- C92 H52 B4 Cl16 F8 N8 O8 -","4","1","","Xuan, Sunting; Zhao, Ning; Ke, Xiangyi; Zhou, Zehua; Fronczek, Frank R.; Kadish, Karl M.; Smith, Kevin M.; Vicente, M Graça H","Synthesis and Spectroscopic Investigation of a Series of Push-Pull Boron Dipyrromethenes (BODIPYs).","The Journal of organic chemistry","2017","82","5","2545","2557","10.1021/acs.joc.6b02941","","","0.71073","MoKα","","0.0614","0.0453","","","0.1209","0.1303","","","","","","1.041","","","","has coordinates,has disorder","193252","2020-10-21","18:00:00",""
"4032258","13.0943","0.0015","13.8006","0.0016","17.659","0.002","83.546","0.007","83.396","0.007","80.198","0.007","3109.6","0.6","90","0.5","90","0.5","","","","","","","","7","P -1","-P 1","2","","","","- C37 H27 B Cl2 F2 N2 O4 -","- C37 H27 B Cl2 F2 N2 O4 -","- C148 H108 B4 Cl8 F8 N8 O16 -","4","2","","Xuan, Sunting; Zhao, Ning; Ke, Xiangyi; Zhou, Zehua; Fronczek, Frank R.; Kadish, Karl M.; Smith, Kevin M.; Vicente, M Graça H","Synthesis and Spectroscopic Investigation of a Series of Push-Pull Boron Dipyrromethenes (BODIPYs).","The Journal of organic chemistry","2017","82","5","2545","2557","10.1021/acs.joc.6b02941","","","0.71073","MoKα","","0.1765","0.0926","","","0.2124","0.2638","","","","","","0.95","","","","has coordinates","193252","2020-10-21","18:00:00",""
"4032259","6.4378","0.0003","13.1056","0.0007","15.3828","0.0008","84.902","0.002","79.56","0.002","84.62","0.002","1267.33","0.11","90","0.5","90","0.5","","","","","","","","7","P -1","-P 1","2","","","","- C30 H20 B Cl2 F2 N3 O2 -","- C30 H20 B Cl2 F2 N3 O2 -","- C60 H40 B2 Cl4 F4 N6 O4 -","2","1","","Xuan, Sunting; Zhao, Ning; Ke, Xiangyi; Zhou, Zehua; Fronczek, Frank R.; Kadish, Karl M.; Smith, Kevin M.; Vicente, M Graça H","Synthesis and Spectroscopic Investigation of a Series of Push-Pull Boron Dipyrromethenes (BODIPYs).","The Journal of organic chemistry","2017","82","5","2545","2557","10.1021/acs.joc.6b02941","","","0.71073","MoKα","","0.0524","0.0377","","","0.0853","0.0921","","","","","","1.023","","","","has coordinates","193252","2020-10-21","18:00:00",""
"4032260","9.8322","0.0008","13.3203","0.0011","15.0587","0.0012","72.208","0.006","74.473","0.006","81.456","0.006","1804.5","0.3","90","0.5","90","0.5","","","","","","","","7","P -1","-P 1","2","","","","- C38 H26 B F2 N3 O2 S2 -","- C38 H26 B F2 N3 O2 S2 -","- C76 H52 B2 F4 N6 O4 S4 -","2","1","","Xuan, Sunting; Zhao, Ning; Ke, Xiangyi; Zhou, Zehua; Fronczek, Frank R.; Kadish, Karl M.; Smith, Kevin M.; Vicente, M Graça H","Synthesis and Spectroscopic Investigation of a Series of Push-Pull Boron Dipyrromethenes (BODIPYs).","The Journal of organic chemistry","2017","82","5","2545","2557","10.1021/acs.joc.6b02941","","","1.54184","CuKα","","0.1056","0.0616","","","0.153","0.17","","","","","","1.009","","","","has coordinates,has disorder","193252","2020-10-21","18:00:00",""
"4032261","10.3829","0.0009","14.3659","0.0014","15.0975","0.0014","75.674","0.007","89.346","0.007","78.359","0.007","2135.3","0.4","90","0.5","90","0.5","","","","","","","","7","P -1","-P 1","2","","","","- C45 H32 B Cl3 F2 N4 O3 -","- C45 H32 B Cl3 F2 N4 O3 -","- C90 H64 B2 Cl6 F4 N8 O6 -","2","1","","Xuan, Sunting; Zhao, Ning; Ke, Xiangyi; Zhou, Zehua; Fronczek, Frank R.; Kadish, Karl M.; Smith, Kevin M.; Vicente, M Graça H","Synthesis and Spectroscopic Investigation of a Series of Push-Pull Boron Dipyrromethenes (BODIPYs).","The Journal of organic chemistry","2017","82","5","2545","2557","10.1021/acs.joc.6b02941","","","1.54184","CuKα","","0.1289","0.1046","","","0.3218","0.3413","","","","","","1.28","","","","has coordinates,has disorder","193252","2020-10-21","18:00:00",""
"4032262","9.5297","0.0018","13.296","0.003","15.643","0.003","90","","90","","90","","1982.1","0.7","100","2","100","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C20 H20 N2 O7 S -","- C20 H20 N2 O7 S -","- C80 H80 N8 O28 S4 -","4","1","","Bezanson, Michelle; Tomberg, Anna; Moitessier, Nicolas","Fluoride-Mediated Desulfonylative Intramolecular Cyclization to Fused and Bridged Bicyclic Compounds: A Complex Mechanism.","The Journal of organic chemistry","2017","82","5","2579","2588","10.1021/acs.joc.6b02999","","","0.71073","MoKα","","0.0449","0.0344","","","0.075","0.0812","","","","","","1.049","","","","has coordinates","193253","2020-10-21","18:00:00",""
"4032263","7.5338","0.0002","15.4969","0.0004","17.657","0.0005","90","","90","","90","","2061.46","0.1","90","2","90","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C21 H31 N3 O3 -","- C21 H31 N3 O3 -","- C84 H124 N12 O12 -","4","1","","Tong, Thu Minh Thi; Soeta, Takahiro; Suga, Takuya; Kawamoto, Keisuke; Hayashi, Yoshihito; Ukaji, Yutaka","Formal Total Synthesis of Manzacidin C Based on Asymmetric 1,3-Dipolar Cycloaddition of Azomethine Imines.","The Journal of organic chemistry","2017","82","4","1969","1976","10.1021/acs.joc.6b02816","","","1.54178","CuKα","","0.0301","0.0301","","","0.0778","0.0778","","","","","","1.103","","","","has coordinates","193254","2020-10-21","18:00:00",""
"4032264","13.1263","0.0009","18.8252","0.0013","13.4559","0.001","90","","112.916","0.009","90","","3062.6","0.4","296","2","296","2","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","","","- C21 H14 N2 -","- C21 H14 N2 -","- C168 H112 N16 -","8","2","","Ali, Wajid; Dahiya, Anjali; Pandey, Ramdhari; Alam, Tipu; Patel, Bhisma K.","Microwave-Assisted Cascade Strategy for the Synthesis of Indolo[2,3-b]quinolines from 2-(Phenylethynyl)anilines and Aryl Isothiocynates.","The Journal of organic chemistry","2017","82","4","2089","2096","10.1021/acs.joc.6b02912","","","0.71073","MoKα","","0.1307","0.0811","","","0.1604","0.19","","","","","","1.089","","","","has coordinates","193255","2020-10-21","18:00:00",""
"4032265","27.6286","0.0014","14.36","0.0006","19.9963","0.0009","90","","109.596","0.008","90","","7474","0.7","200","","200","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","(NEt4)[SC6H3{NHCOC(C6H4-t-Bu)3}2]-1.75CH3CN","","- C81.5 H108.25 N4.75 O2 S -","- C81.492 H108.238 N4.746 O2 S -","- C325.968 H432.952 N18.984 O8 S4 -","4","1","","Okamura, Taka-Aki; Kaga, Toshihisa; Yamashita, Satoshi; Furuya, Ryosuke; Onitsuka, Kiyotaka","Snapshot of Oxidation of Thiolate by Diiodine: Stabilization of Intermediate by NH···S Hydrogen Bonds.","The Journal of organic chemistry","2017","82","4","2187","2192","10.1021/acs.joc.7b00160","","","0.71075","MoKα","","0.1665","0.0808","","","0.1729","0.2085","","","","","","1.017","","","","has coordinates,has disorder","193256","2020-10-21","18:00:00",""
"4032266","16.4123","0.0005","21.6199","0.0007","28.373","0.002","111.727","0.008","92.205","0.007","100.836","0.007","9121","1","200","","200","","","","","","","","","6","P -1","-P 1","2","","(NEt4)[L1I2]-L1I-8toluene","","- C204 H250 I3 N5 O4 S2 -","- C204 H250 I3 N5 O4 S2 -","- C408 H500 I6 N10 O8 S4 -","2","1","","Okamura, Taka-Aki; Kaga, Toshihisa; Yamashita, Satoshi; Furuya, Ryosuke; Onitsuka, Kiyotaka","Snapshot of Oxidation of Thiolate by Diiodine: Stabilization of Intermediate by NH···S Hydrogen Bonds.","The Journal of organic chemistry","2017","82","4","2187","2192","10.1021/acs.joc.7b00160","","","0.71075","MoKα","","0.1274","0.0746","","","0.1668","0.1949","","","","","","1.024","","","","has coordinates,has disorder","193256","2020-10-21","18:00:00",""
"4032267","14.3441","0.0004","40.3816","0.0009","11.4691","0.0003","90","","90","","90","","6643.3","0.3","200","","200","","","","","","","","","6","P n m a","-P 2ac 2n","62","","{(t-BuC6H4)3CCONH}2C6H3SI-DME","","- C74 H93 I N2 O4 S -","- C74 H93 I N2 O4 S -","- C296 H372 I4 N8 O16 S4 -","4","0.5","","Okamura, Taka-Aki; Kaga, Toshihisa; Yamashita, Satoshi; Furuya, Ryosuke; Onitsuka, Kiyotaka","Snapshot of Oxidation of Thiolate by Diiodine: Stabilization of Intermediate by NH···S Hydrogen Bonds.","The Journal of organic chemistry","2017","82","4","2187","2192","10.1021/acs.joc.7b00160","","","0.71075","MoKα","","0.0812","0.0541","","","0.1269","0.1397","","","","","","1.026","","","","has coordinates,has disorder","193256","2020-10-21","18:00:00",""
"4032268","14.9171","0.0004","16.692","0.0005","21.1318","0.0007","96.468","0.007","110.11","0.008","94.888","0.007","4866","0.4","200","","200","","","","","","","","","7","P -1","-P 1","2","","(NEt4)[{(t-BuC6H4)3CCONH}2C6H3SI-I]-5(CHCl3)","","- C83 H108 Cl15 I2 N3 O2 S -","- C83 H108 Cl15 I2 N3 O2 S -","- C166 H216 Cl30 I4 N6 O4 S2 -","2","1","","Okamura, Taka-Aki; Kaga, Toshihisa; Yamashita, Satoshi; Furuya, Ryosuke; Onitsuka, Kiyotaka","Snapshot of Oxidation of Thiolate by Diiodine: Stabilization of Intermediate by NH···S Hydrogen Bonds.","The Journal of organic chemistry","2017","82","4","2187","2192","10.1021/acs.joc.7b00160","","","0.71075","MoKα","","0.0906","0.0695","","","0.1901","0.2024","","","","","","1.091","","","","has coordinates,has disorder","193256","2020-10-21","18:00:00",""
"4032269","27.622","0.008","27.622","0.008","19.122","0.002","90","","90","","120","","12635","5","293","","293","","","","","","","","","5","R -3 :H","-R 3","148","","","","- C27 H26 N4 O3 S -","- C27 H26 N4 O3 S -","- C486 H468 N72 O54 S18 -","18","1","","Hoang, Anita; Popov, Kirill; Somfai, Peter","An Efficient Synthesis of (±)-Dehaloperophoramidine.","The Journal of organic chemistry","2017","82","4","2171","2176","10.1021/acs.joc.6b02969","","x-ray","0.7107","MoKα","","0.2216","0.0905","","","0.152","0.1655","","","","3.36","3.36","1.94","","","","has coordinates","288070","2023-12-06","12:50:38",""
"4032270","6.826","0.008","7.652","0.009","20.88","0.03","90","","92.8","0.02","90","","1089","2","120","","120","","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C22 H29 Br N6 S -","- C22 H29 Br N6 S -","- C44 H58 Br2 N12 S2 -","2","1","","Bugaenko, Dmitry I.; Yurovskaya, Marina A.; Karchava, Alexander V.","Quaternary N-(2-Pyridyl)-DABCO Salts: One-Pot in Situ Formation from Pyridine-N-oxides and Reactions with Nucleophiles: A Mild and Selective Route to Substituted N-(2-Pyridyl)-N'-ethylpiperazines.","The Journal of organic chemistry","2017","82","4","2136","2149","10.1021/acs.joc.6b02952","","x-ray","0.71073","MoKα","","0.2198","0.0994","","","0.197","0.2507","","","","","","0.98","","","","has coordinates","193258","2020-10-21","18:00:00",""
"4032271","11.376","0.0018","7.9619","0.0013","18.978","0.003","90","","100.026","0.004","90","","1692.7","0.5","120","2","120","2","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C15 H19 F3 N4 O2 S -","- C15 H19 F3 N4 O2 S -","- C60 H76 F12 N16 O8 S4 -","4","2","","Bugaenko, Dmitry I.; Yurovskaya, Marina A.; Karchava, Alexander V.","Quaternary N-(2-Pyridyl)-DABCO Salts: One-Pot in Situ Formation from Pyridine-N-oxides and Reactions with Nucleophiles: A Mild and Selective Route to Substituted N-(2-Pyridyl)-N'-ethylpiperazines.","The Journal of organic chemistry","2017","82","4","2136","2149","10.1021/acs.joc.6b02952","","","0.71073","MoKα","","0.1386","0.0713","","","0.1431","0.1756","","","","","","1.013","","","","has coordinates,has disorder","193259","2020-10-21","18:00:00",""
"4032272","11.0651","0.0007","11.7597","0.0007","13.8038","0.0008","65.204","0.002","69.405","0.002","66.42","0.002","1457.44","0.16","100","2","100","2","","","","","","","","6","P -1","-P 1","2","","","","- C24 H22 F12 N6 Ni P2 -","- C24 H22 F12 N6 Ni P2 -","- C48 H44 F24 N12 Ni2 P4 -","2","1","","Paul, Avishek; Smith, Mark D.; Vannucci, Aaron K.","Photoredox-Assisted Reductive Cross-Coupling: Mechanistic Insight into Catalytic Aryl-Alkyl Cross-Couplings.","The Journal of organic chemistry","2017","82","4","1996","2003","10.1021/acs.joc.6b02830","","x-ray","0.71073","MoKα","","0.0499","0.0441","","","0.1131","0.1175","","","","","","1.025","","","","has coordinates,has disorder","193260","2020-10-21","18:00:00",""
"4032273","15.9755","0.0008","20.1371","0.001","14.1329","0.0007","90","","97.688","0.002","90","","4505.7","0.4","100","2","100","2","","","","","","","","7","C 1 2/c 1","-C 2yc","15","","","","- C42 H35 Cl2 F12 N9 Ni2 P2 -","- C42 H35 Cl2 F12 N9 Ni2 P2 -","- C168 H140 Cl8 F48 N36 Ni8 P8 -","4","0.5","","Paul, Avishek; Smith, Mark D.; Vannucci, Aaron K.","Photoredox-Assisted Reductive Cross-Coupling: Mechanistic Insight into Catalytic Aryl-Alkyl Cross-Couplings.","The Journal of organic chemistry","2017","82","4","1996","2003","10.1021/acs.joc.6b02830","","x-ray","0.71073","MoKα","","0.0361","0.0284","","","0.0598","0.0626","","","","","","1.05","","","","has coordinates,has disorder","193260","2020-10-21","18:00:00",""
"4032274","8.3516","0.0003","8.3516","0.0003","23.0965","0.001","90","","90","","120","","1395.13","0.09","100","2","100","2","","","","","","","","5","R 3 c :H","R 3 -2""c","161","","","","- C6 H16 Br N O3 -","- C6 H16 Br N O3 -","- C36 H96 Br6 N6 O18 -","6","0.333333","","Paul, Avishek; Smith, Mark D.; Vannucci, Aaron K.","Photoredox-Assisted Reductive Cross-Coupling: Mechanistic Insight into Catalytic Aryl-Alkyl Cross-Couplings.","The Journal of organic chemistry","2017","82","4","1996","2003","10.1021/acs.joc.6b02830","","x-ray","0.71073","MoKα","","0.0302","0.0256","","","0.0579","0.0599","","","","","","1.076","","","","has coordinates","203907","2020-10-21","18:00:00",""
"4032275","8.5128","0.0002","9.5968","0.0003","11.2892","0.0003","87.5281","0.0011","78.3064","0.0012","67.9774","0.0012","836.69","0.04","296","2","296","2","","","","","","","","4","P -1","-P 1","2","","","","- C22 H16 O S -","- C22 H16 O S -","- C44 H32 O2 S2 -","2","1","","Muthupandi, Pandi; Sundaravelu, Nallappan; Sekar, Govindasamy","Domino Synthesis of Thiochromenes through Cu-Catalyzed Incorporation of Sulfur Using Xanthate Surrogate.","The Journal of organic chemistry","2017","82","4","1936","1942","10.1021/acs.joc.6b02740","","","0.71073","MoKα","","0.036","0.0319","","","0.0771","0.0807","","","","","","1.047","","","","has coordinates","193261","2020-10-21","18:00:00",""
"4032276","7.4752","0.0008","23.748","0.003","8.0038","0.001","90","","91.153","0.003","90","","1420.6","0.3","200","2","200","2","","","","","","","","3","P 1 21 1","P 2yb","4","","","","- C16 H24 O3 -","- C16 H24 O3 -","- C64 H96 O12 -","4","2","","Chuang, Hsiang-Yu; Isobe, Minoru","Synthesis of Rings DEF of Solanoeclepin A.","The Journal of organic chemistry","2017","82","4","2045","2058","10.1021/acs.joc.6b02886","","","0.71073","MoKα","","0.0671","0.0464","","","0.1049","0.1162","","","","","","0.965","","","","has coordinates","193262","2020-10-21","18:00:00",""
"4032277","9.4042","0.0018","11.0208","0.0019","12.718","0.002","90","","90","","90","","1318.1","0.4","200","2","200","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C15 H18 O3 -","- C15 H18 O3 -","- C60 H72 O12 -","4","1","","Chuang, Hsiang-Yu; Isobe, Minoru","Synthesis of Rings DEF of Solanoeclepin A.","The Journal of organic chemistry","2017","82","4","2045","2058","10.1021/acs.joc.6b02886","","","0.71073","MoKα","","0.0974","0.0656","","","0.1677","0.1743","","","","","","1.436","","","","has coordinates","193262","2020-10-21","18:00:00",""
"4032278","7.4955","0.0004","9.7437","0.0006","19.7175","0.0011","90","","90","","90","","1440.05","0.14","200","2","200","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C15 H21 O5 -","- C15 H21 O5 -","- C60 H84 O20 -","4","1","","Chuang, Hsiang-Yu; Isobe, Minoru","Synthesis of Rings DEF of Solanoeclepin A.","The Journal of organic chemistry","2017","82","4","2045","2058","10.1021/acs.joc.6b02886","","","0.71073","MoKα","","0.0417","0.0357","","","0.1009","0.1129","","","","","","1.117","","","","has coordinates","193262","2020-10-21","18:00:00",""
"4032279","11.195","0.002","12.865","0.003","15.664","0.003","102.232","0.004","93.783","0.005","110.067","0.004","2047.2","0.7","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C23 H23 N O5 S -","- C23 H23 N O5 S -","- C92 H92 N4 O20 S4 -","4","2","","Chen, Junjie; Han, Xiuling; Lu, Xiyan","Atom-Economic Synthesis of Pentaleno[2,1-b]indoles via Tandem Cyclization of Alkynones Initiated by Aminopalladation.","The Journal of organic chemistry","2017","82","4","1977","1985","10.1021/acs.joc.6b02817","","","0.71073","MoKα","","0.1259","0.0663","","","0.1587","0.1915","","","","","","0.989","","","","has coordinates","193263","2020-10-21","18:00:00",""
"4032280","8.642","","11.567","","11.642","","101.14","","95.54","","95.45","","1128.78","","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C22 H20 O2 S Se -","- C22 H20 O2 S Se -","- C44 H40 O4 S2 Se2 -","2","1","","Liu, Yang; Zheng, Guangfan; Zhang, Qian; Li, Yan; Zhang, Qian","Copper-Catalyzed Three Component Regio- and Stereospecific Selenosulfonation of Alkynes: Synthesis of (E)-β-Selenovinyl Sulfones.","The Journal of organic chemistry","2017","82","4","2269","2275","10.1021/acs.joc.6b03049","","","0.71073","MoKα","","0.1584","0.0938","","","0.2778","0.3363","","","","","","1.073","","","","has coordinates","193264","2020-10-21","18:00:00",""
"4032281","7.8935","0.0007","10.8422","0.001","17.1058","0.0014","101.808","0.007","95.419","0.007","101.351","0.008","1391","0.2","213.5","0.1","213.5","0.1","","","","","","","","4","P -1","-P 1","2","","","","- C37 H30 N2 O -","- C37 H30 N2 O -","- C74 H60 N4 O2 -","2","1","","Zheng, Yang; Chi, Yongjian; Bao, Ming; Qiu, Lihua; Xu, Xinfang","Gold-Catalyzed Tandem Dual Heterocyclization of Enynones with 1,3,5-Triazines: Bicyclic Furan Synthesis and Mechanistic Insights.","The Journal of organic chemistry","2017","82","4","2129","2135","10.1021/acs.joc.6b02947","","","0.71073","MoKα","","0.082","0.0501","","","0.1018","0.1205","","","","","","1.036","","","","has coordinates","193265","2020-10-21","18:00:00",""
"4032282","11.1928","0.0003","5.2635","0.0001","15.5946","0.0004","90","","109.195","0.001","90","","867.65","0.04","296","2","296","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C19 H16 N2 O4 S -","- C19 H16 N2 O4 S -","- C38 H32 N4 O8 S2 -","2","1","","Ping, Xin-Ni; Wei, Pei-Shun; Zhu, Xiao-Qian; Xie, Jian-Wu","Catalyst-Controlled Switch in Diastereoselectivities: Enantioselective Construction of Functionalized 3,4-Dihydro-2H-thiopyrano[2,3-b]quinolines with Three Contiguous Stereocenters.","The Journal of organic chemistry","2017","82","4","2205","2210","10.1021/acs.joc.6b02688","","","0.71073","MoKα","","0.036","0.0327","","","0.0861","0.0953","","","","","","0.329","","","","has coordinates","193266","2020-10-21","18:00:00",""
"4032283","10.112","0.005","10.996","0.006","15.378","0.008","90","","90","","90","","1709.9","1.5","296","2","296","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C19 H16 N2 O4 S -","- C19 H16 N2 O4 S -","- C76 H64 N8 O16 S4 -","4","1","","Ping, Xin-Ni; Wei, Pei-Shun; Zhu, Xiao-Qian; Xie, Jian-Wu","Catalyst-Controlled Switch in Diastereoselectivities: Enantioselective Construction of Functionalized 3,4-Dihydro-2H-thiopyrano[2,3-b]quinolines with Three Contiguous Stereocenters.","The Journal of organic chemistry","2017","82","4","2205","2210","10.1021/acs.joc.6b02688","","","0.71073","MoKα","","0.103","0.0561","","","0.099","0.1175","","","","","","1.011","","","","has coordinates","258458","2020-10-21","18:00:00",""
"4032284","9.3489","0.0005","15.6494","0.0009","18.4534","0.001","90","","102.884","0.002","90","","2631.8","0.3","153","2","153","2","","","","","","","","4","P 1 21 1","P 2yb","4","16061201","","","- C29 H34 O4 S -","- C29 H34 O4 S -","- C116 H136 O16 S4 -","4","2","","Li, Zhen; Chen, Quan; Mayer, Peter; Mayr, Herbert","Nucleophilicity Parameters of Arylsulfonyl-Substituted Halomethyl Anions.","The Journal of organic chemistry","2017","82","4","2011","2017","10.1021/acs.joc.6b02844","","","0.71073","MoKα","","0.046","0.0419","","","0.1028","0.105","","","","","","1.083","","","","has coordinates","193268","2020-10-21","18:00:00",""
"4032285","9.9103","0.0003","11.3423","0.0003","19.3768","0.0005","90","","95.331","0.001","90","","2168.64","0.1","296","2","296","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C24 H20 Cl I N2 O2 -","- C24 H20 Cl I N2 O2 -","- C96 H80 Cl4 I4 N8 O8 -","4","1","","Borra, Satheesh; Chandrasekhar, D.; Adhikary, Susanta; Rasala, Sandeep; Gokulnath, Sabapathi; Maurya, Ram Awatar","Visible-Light Driven Photocascade Catalysis: Union of N,N-Dimethylanilines and α-Azidochalcones in Flow Microreactors.","The Journal of organic chemistry","2017","82","4","2249","2256","10.1021/acs.joc.6b02932","","","0.71073","MoKα","","0.0428","0.0312","","","0.0817","0.0907","","","","","","1.032","","","","has coordinates","193269","2020-10-21","18:00:00",""
"4032286","9.7532","0.0003","15.3749","0.0003","12.3002","0.0003","90","","96.085","0.001","90","","1834.08","0.08","296","2","296","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C23 H19 Cl N2 O -","- C23 H19 Cl N2 O -","- C92 H76 Cl4 N8 O4 -","4","1","","Borra, Satheesh; Chandrasekhar, D.; Adhikary, Susanta; Rasala, Sandeep; Gokulnath, Sabapathi; Maurya, Ram Awatar","Visible-Light Driven Photocascade Catalysis: Union of N,N-Dimethylanilines and α-Azidochalcones in Flow Microreactors.","The Journal of organic chemistry","2017","82","4","2249","2256","10.1021/acs.joc.6b02932","","","0.71073","MoKα","","0.0799","0.0425","","","0.0899","0.1038","","","","","","1.016","","","","has coordinates","193270","2020-10-21","18:00:00",""
"4032287","7.1333","0.0003","20.0738","0.001","11.9472","0.0006","90","","97.605","0.002","90","","1695.7","0.14","100","","100","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C17 H19 Br O5 -","- C17 H19 Br O5 -","- C68 H76 Br4 O20 -","4","1","","Griswold, Jessica A.; Horwitz, Matthew A.; Leiva, Leslie V.; Johnson, Jeffrey S.","Diastereoselective Organocatalytic Addition of α-Angelica Lactone to β-Halo-α-ketoesters.","The Journal of organic chemistry","2017","82","4","2276","2280","10.1021/acs.joc.6b03059","","","1.54178","CuKα","","0.0392","0.0361","","","0.0886","0.0912","","","","","","1.075","","","","has coordinates","193271","2020-10-21","18:00:00",""
"4032288","6.6795","0.0003","9.4844","0.0004","9.9184","0.0004","67.948","0.002","88.957","0.002","70.779","0.002","545.91","0.04","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","","","- C9 H11 I N2 S -","- C9 H11 I N2 S -","- C18 H22 I2 N4 S2 -","2","1","","Hasty, Scott J.; Bandara, Mithila D.; Rath, Nigam P.; Demchenko, Alexei V.","S-Benzimidazolyl (SBiz) Imidates as a Platform for Oligosaccharide Synthesis via Active-Latent, Armed-Disarmed, Selective, and Orthogonal Activations.","The Journal of organic chemistry","2017","82","4","1904","1911","10.1021/acs.joc.6b02478","","","0.71073","MoKα","","0.0323","0.0237","","","0.0522","0.0541","","","","","","1.019","","","","has coordinates,has disorder","193272","2020-10-21","18:00:00",""
"4032289","9.355","0.003","10.436","0.003","12.314","0.004","90","","102.117","0.017","90","","1175.4","0.6","200","2","200","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C14 H16 N2 O2 -","- C14 H16 N2 O2 -","- C56 H64 N8 O8 -","4","1","","Bongers, Amanda; Clavette, Christian; Gan, Wei; Gorelsky, Serge I.; Betit, Lyanne; Lavergne, Kaitlyn; Markiewicz, Thomas; Moon, Patrick J.; Das Neves, Nicolas; Obhi, Nimrat K.; Toderian, Amy B.; Beauchemin, André M","Intermolecular Aminocarbonylation of Alkenes using Concerted Cycloadditions of Iminoisocyanates.","The Journal of organic chemistry","2017","82","2","1175","1194","10.1021/acs.joc.6b02713","","","0.71073","MoKα","","0.0519","0.0405","","","0.1052","0.1148","","","","","","1.023","","","","has coordinates","193273","2020-10-21","18:00:00",""
"4032290","7.5539","0.0006","9.4012","0.0008","13.3713","0.0011","86.824","0.002","88.522","0.001","85.809","0.002","945.35","0.13","293","2","293","2","","","","","","","","4","P -1","-P 1","2","","","","- C22 H14 Br2 O2 -","- C22 H14 Br2 O2 -","- C44 H28 Br4 O4 -","2","1","","Huang, Changfeng; Li, Shuangjiang; Thakellapalli, Haresh; Farajidizaji, Behzad; Huang, Yiwei; Akhmedov, Novruz G.; Popp, Brian V.; Petersen, Jeffrey L.; Wang, Kung K.","Synthesis of Partially Hydrogenated Cycloparaphenylenes with Bent and Fused Structures Bearing Armchair Carbon Nanotube-like Connections.","The Journal of organic chemistry","2017","82","2","1166","1174","10.1021/acs.joc.6b02789","","","0.71073","MoKα","","0.0673","0.0542","","","0.1521","0.1625","","","","","","1.034","","","","has coordinates","198632","2020-10-21","18:00:00",""
"4032291","9.5245","0.0005","9.7842","0.0005","10.2374","0.0005","113.522","0.0014","102.024","0.0015","94.4772","0.0016","841.62","0.08","296","2","296","2","","","","","","","","4","P -1","-P 1","2","","","","- C40 H30 Br4 O2 -","- C40 H30 Br4 O2 -","- C40 H30 Br4 O2 -","1","0.5","","Huang, Changfeng; Li, Shuangjiang; Thakellapalli, Haresh; Farajidizaji, Behzad; Huang, Yiwei; Akhmedov, Novruz G.; Popp, Brian V.; Petersen, Jeffrey L.; Wang, Kung K.","Synthesis of Partially Hydrogenated Cycloparaphenylenes with Bent and Fused Structures Bearing Armchair Carbon Nanotube-like Connections.","The Journal of organic chemistry","2017","82","2","1166","1174","10.1021/acs.joc.6b02789","","","0.71073","MoKα","","0.0797","0.0471","","","0.0927","0.1073","","","","","","1.021","","","","has coordinates","193274","2020-10-21","18:00:00",""
"4032292","11.2972","0.0006","12.0856","0.0006","15.726","0.0008","105.336","0.0014","94.3058","0.0015","105.11","0.0014","1975.03","0.18","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C41 H32 Cl2 I4 O2 -","- C41 H32 Cl2 I4 O2 -","- C82 H64 Cl4 I8 O4 -","2","1","","Huang, Changfeng; Li, Shuangjiang; Thakellapalli, Haresh; Farajidizaji, Behzad; Huang, Yiwei; Akhmedov, Novruz G.; Popp, Brian V.; Petersen, Jeffrey L.; Wang, Kung K.","Synthesis of Partially Hydrogenated Cycloparaphenylenes with Bent and Fused Structures Bearing Armchair Carbon Nanotube-like Connections.","The Journal of organic chemistry","2017","82","2","1166","1174","10.1021/acs.joc.6b02789","","","0.71073","MoKα","","0.0614","0.0504","","","0.142","0.1513","","","","","","1.035","","","","has coordinates","193274","2020-10-21","18:00:00",""
"4032293","8.4681","0.0006","13.0884","0.0009","14.0333","0.0009","84.5629","0.0019","78.6719","0.0019","77.9988","0.0018","1489.37","0.18","100","2","100","2","","","","","","","","4","P -1","-P 1","2","","","","- C82 H64 Cl4 O4 -","- C80 H60 O4 -","- C80 H60 O4 -","1","0.5","","Huang, Changfeng; Li, Shuangjiang; Thakellapalli, Haresh; Farajidizaji, Behzad; Huang, Yiwei; Akhmedov, Novruz G.; Popp, Brian V.; Petersen, Jeffrey L.; Wang, Kung K.","Synthesis of Partially Hydrogenated Cycloparaphenylenes with Bent and Fused Structures Bearing Armchair Carbon Nanotube-like Connections.","The Journal of organic chemistry","2017","82","2","1166","1174","10.1021/acs.joc.6b02789","","","0.71073","MoKα","","0.1457","0.0981","","","0.2133","0.2421","","","","","","1.058","","","","has coordinates,has disorder","193274","2020-10-21","18:00:00",""
"4032294","5.3006","0.0011","9.2682","0.0019","14.148","0.003","100.2","0.03","100.72","0.03","103.43","0.03","646.4","0.3","293","2","293","2","","","","","","","","4","P -1","-P 1","2","","","","- C28 H32 N4 O4 -","- C28 H32 N4 O4 -","- C28 H32 N4 O4 -","1","0.5","","Zhu, Qiuhua; Ye, Ziwei; Yang, Weijie; Cai, Xiaotie; Tang, Ben Zhong","One-Pot Synthesis and Structure-Property Relationship of Aminomaleimides: Fluorescence Efficiencies in Monomers and Aggregates Easily Tuned by Switch of Aryl and Alkyl.","The Journal of organic chemistry","2017","82","2","1096","1104","10.1021/acs.joc.6b02706","","","0.71073","MoKα","","0.1104","0.0523","","","0.1437","0.1897","","","","","","0.955","","","","has coordinates","193275","2020-10-21","18:00:00",""
"4032295","5.5636","0.0011","19.244","0.004","10.159","0.002","90","","98.33","0.03","90","","1076.2","0.4","298","","298","","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C12 H12 N2 O2 -","- C12 H12 N2 O2 -","- C48 H48 N8 O8 -","4","1","","Zhu, Qiuhua; Ye, Ziwei; Yang, Weijie; Cai, Xiaotie; Tang, Ben Zhong","One-Pot Synthesis and Structure-Property Relationship of Aminomaleimides: Fluorescence Efficiencies in Monomers and Aggregates Easily Tuned by Switch of Aryl and Alkyl.","The Journal of organic chemistry","2017","82","2","1096","1104","10.1021/acs.joc.6b02706","","","0.71073","MoKα","","0.132","0.085","","","0.2114","0.2392","","","","","","1.039","","","","has coordinates,has disorder","193276","2020-10-21","18:00:00",""
"4032296","6.56","0.0013","9.41","0.0019","11.8","0.002","82.35","0.03","89.37","0.03","74.32","0.03","694.8","0.3","293","2","293","2","","","","","","","","4","P -1","-P 1","2","","","","- C16 H18 N2 O2 -","- C16 H18 N2 O2 -","- C32 H36 N4 O4 -","2","1","","Zhu, Qiuhua; Ye, Ziwei; Yang, Weijie; Cai, Xiaotie; Tang, Ben Zhong","One-Pot Synthesis and Structure-Property Relationship of Aminomaleimides: Fluorescence Efficiencies in Monomers and Aggregates Easily Tuned by Switch of Aryl and Alkyl.","The Journal of organic chemistry","2017","82","2","1096","1104","10.1021/acs.joc.6b02706","","","0.71073","MoKα","","0.0634","0.0468","","","0.1556","0.2034","","","","","","1.236","","","","has coordinates","193277","2020-10-21","18:00:00",""
"4032297","6.1414","0.0012","10.463","0.002","12.483","0.003","110.06","0.03","102.97","0.03","92.87","0.03","727.1","0.3","293","2","293","2","","","","","","","","4","P -1","-P 1","2","","","","- C14 H22 N2 O2 -","- C14 H22 N2 O2 -","- C28 H44 N4 O4 -","2","1","","Zhu, Qiuhua; Ye, Ziwei; Yang, Weijie; Cai, Xiaotie; Tang, Ben Zhong","One-Pot Synthesis and Structure-Property Relationship of Aminomaleimides: Fluorescence Efficiencies in Monomers and Aggregates Easily Tuned by Switch of Aryl and Alkyl.","The Journal of organic chemistry","2017","82","2","1096","1104","10.1021/acs.joc.6b02706","","","0.71073","MoKα","","0.1625","0.0822","","","0.2384","0.3025","","","","","","1.041","","","","has coordinates","193278","2020-10-21","18:00:00",""
"4032298","11.0652","0.0006","20.5129","0.001","18.3751","0.0009","90","","95.359","0.002","90","","4152.5","0.4","150","2","150","2","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C88 H82 Ag4 Cl2 N8 O10 P4 -","- C88 H82 Ag4 Cl2 N8 O10 P4 -","- C176 H164 Ag8 Cl4 N16 O20 P8 -","2","0.5","","Wang, Chenxi; Cai, Juewang; Zhang, Min; Zhao, Xiaoming","Ag-Assisted Fluorination of Unprotected 4,6-Disubstituted 2-Aminopyrimidines with Selectfluor.","The Journal of organic chemistry","2017","82","2","1260","1265","10.1021/acs.joc.6b02624","","","0.71073","MoKα","","0.0314","0.0243","","","0.0522","0.0547","","","","","","1.116","","","","has coordinates,has disorder","193279","2020-10-21","18:00:00",""
"4032299","7.4415","0.0004","19.8456","0.001","12.5838","0.0007","90","","106.703","0.006","90","","1779.98","0.17","294.06","0.1","294.06","0.1","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C21 H22 O4 -","- C21 H22 O4 -","- C84 H88 O16 -","4","1","","Luo, Yong-Chun; Ma, He; Hu, Xiu-Qin; Xu, Peng-Fei","Sc(OTf)3 Catalyzed [4 + 2]-Annulation Reaction between Electron-Rich Phenols and Donor-Acceptor Cyclopropanes: Synthesis of Polysubstituted Dihydronaphthols.","The Journal of organic chemistry","2017","82","2","1013","1023","10.1021/acs.joc.6b02566","","x-ray","0.71073","MoKα","","0.0974","0.0669","","","0.1565","0.1796","","","","","","1.064","","","","has coordinates,has disorder","193280","2020-10-21","18:00:00",""
"4032300","9.191","0.005","12.87","0.007","15.671","0.008","90","","97.977","0.006","90","","1835.8","1.7","296","2","296","2","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","","","- C22 H24 O3 -","- C22 H24 O3 -","- C88 H96 O12 -","4","1","","Luo, Yong-Chun; Ma, He; Hu, Xiu-Qin; Xu, Peng-Fei","Sc(OTf)3 Catalyzed [4 + 2]-Annulation Reaction between Electron-Rich Phenols and Donor-Acceptor Cyclopropanes: Synthesis of Polysubstituted Dihydronaphthols.","The Journal of organic chemistry","2017","82","2","1013","1023","10.1021/acs.joc.6b02566","","","0.71073","MoKα","","0.0622","0.0503","","","0.1553","0.167","","","","","","1.015","","","","has coordinates","193282","2020-10-21","18:00:00",""
"4032301","11.779","0.002","8.8723","0.0018","11.827","0.002","90","","109.89","0.004","90","","1162.3","0.4","298","2","298","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C13 H9 N O4 -","- C13 H9 N O4 -","- C52 H36 N4 O16 -","4","1","","Sharma, Poonam; Rohilla, Sandeep; Jain, Nidhi","Palladium Catalyzed Carbonylative Coupling for Synthesis of Arylketones and Arylesters Using Chloroform as the Carbon Monoxide Source.","The Journal of organic chemistry","2017","82","2","1105","1113","10.1021/acs.joc.6b02711","","","0.71073","MoKα","","0.1054","0.0552","","","0.1759","0.229","","","","","","0.752","","","","has coordinates","193283","2020-10-21","18:00:00",""
"4032302","11.7029","0.0006","8.0441","0.0004","20.2235","0.001","90","","93.371","0.003","90","","1900.53","0.17","296","2","296","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C26 H17 N O2 -","- C26 H17 N O2 -","- C104 H68 N4 O8 -","4","1","","Sharma, Nitika; Peddinti, Rama Krishna","BF3·OEt2 Mediated Regioselective Reaction of Electron-Rich Arenes with 3-Ylidene Oxindoles.","The Journal of organic chemistry","2017","82","2","918","924","10.1021/acs.joc.6b02395","","","0.71073","MoKα","","0.1205","0.0447","","","0.0928","0.1166","","","","","","0.968","","","","has coordinates","193284","2020-10-21","18:00:00",""
"4032303","8.5039","0.0001","10.892","0.0002","12.5327","0.0002","74.116","0.001","87.385","0.001","86.061","0.001","1113.44","0.03","296","2","296","2","","","","","","","","5","P -1","-P 1","2","","","","- C25 H21 Cl0 N O5 -","- C25 H22 Cl N O5 -","- C50 H44 Cl2 N2 O10 -","2","1","","Sharma, Nitika; Peddinti, Rama Krishna","BF3·OEt2 Mediated Regioselective Reaction of Electron-Rich Arenes with 3-Ylidene Oxindoles.","The Journal of organic chemistry","2017","82","2","918","924","10.1021/acs.joc.6b02395","","","0.71073","MoKα","","0.1175","0.0941","","","0.2681","0.2912","","","","","","1.075","","","","has coordinates","193285","2020-10-21","18:00:00",""
"4032304","19.5111","0.0009","10.0621","0.0005","20.2837","0.001","90","","90","","90","","3982.1","0.3","296","2","296","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","N-Benzyl-3-(difluoronitromethyl)-2-oxoindolin-3-yl benzoate","","- C23 H16 F2 N2 O5 -","- C23 H16 F2 N2 O5 -","- C184 H128 F16 N16 O40 -","8","1","","Ding, Ransheng; Bakhshi, Pegah R.; Wolf, Christian","Organocatalytic Insertion of Isatins into Aryl Difluoronitromethyl Ketones.","The Journal of organic chemistry","2017","82","2","1273","1278","10.1021/acs.joc.6b02704","","x-ray","0.71073","MoKα","","0.0378","0.0316","","","0.0841","0.0872","","","","","","1.016","","","","has coordinates","193286","2020-10-21","18:00:00",""
"4032305","17.187","0.002","15.4893","0.0019","15.3026","0.0018","90","","109.844","0.002","90","","3831.9","0.8","296","2","296","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","(Z)-N-Benzyl-3-(fluoro(hydroxyimino)methyl)-2-oxoindolin-3-yl benzoate","","- C23 H17 F N2 O4 -","- C23 H17 F N2 O4 -","- C184 H136 F8 N16 O32 -","8","1","","Ding, Ransheng; Bakhshi, Pegah R.; Wolf, Christian","Organocatalytic Insertion of Isatins into Aryl Difluoronitromethyl Ketones.","The Journal of organic chemistry","2017","82","2","1273","1278","10.1021/acs.joc.6b02704","","x-ray","0.71073","MoKα","","0.0565","0.0457","","","0.1136","0.1185","","","","","","1.028","","","","has coordinates","193287","2020-10-21","18:00:00",""
"4032306","14.3865","0.0003","11.7129","0.0002","24.5179","0.0005","90","","97.8354","0.0007","90","","4092.88","0.14","93","2","93","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C61 H44 O -","- C61 H44 O -","- C244 H176 O4 -","4","1","","Murayama, Koichi; Shibata, Yu; Sugiyama, Haruki; Uekusa, Hidehiro; Tanaka, Ken","Synthesis, Structure, and Photophysical/Chiroptical Properties of Benzopicene-Based π-Conjugated Molecules.","The Journal of organic chemistry","2017","82","2","1136","1144","10.1021/acs.joc.6b02757","","","1.54186","CuKα","","0.0516","0.0427","","","0.112","0.1221","","","","","","1.105","","","","has coordinates","193288","2020-10-21","18:00:00",""
"4032307","23.4927","0.0017","23.4927","0.0017","9.703","0.0009","90","","90","","90","","5355.2","0.7","113","2","113","2","","","","","","","","6","P -4 21 c","P -4 2n","114","","","","- C33 H31 F N2 O2 S -","- C33 H31 F N2 O2 S -","- C264 H248 F8 N16 O16 S8 -","8","1","","Liu, Qiangqiang; Wang, Chan; Li, Qiang; Hou, Yajie; Wu, Ye; Liu, Lingyan; Chang, Weixing; Li, Jing","Povarov Reaction of Cycloiminium Formed in Situ via Hydroamination Cycloisomerization of Homopropargylic Amines with Electron-Rich Olefins.","The Journal of organic chemistry","2017","82","2","950","958","10.1021/acs.joc.6b02496","","","0.71073","MoKα","","0.0284","0.0262","","","0.0707","0.072","","","","","","1.037","","","","has coordinates","193289","2020-10-21","18:00:00",""
"4032308","5.6268","0.0011","17.614","0.003","9.1708","0.0017","90","","105.33","0.002","90","","876.6","0.3","100","2","100","2","","","","","","","synthesis as described","4","P 1 21 1","P 2yb","4","cs35pt","","","- C20 H19 N3 O4 -","- C20 H19 N3 O4 -","- C40 H38 N6 O8 -","2","1","","Sousa, Cristina E. A.; Ribeiro, António M P; Gil Fortes, António; Cerqueira, Nuno M. F. S. A.; Alves, Maria J.","Total Facial Discrimination of 1,3-Dipolar Cycloadditions in a d-Erythrose 1,3-Dioxane Template: Computational Studies of a Concerted Mechanism.","The Journal of organic chemistry","2017","82","2","982","991","10.1021/acs.joc.6b02518","","x-ray","0.71073","MoKα","","0.039","0.0324","","","0.0749","0.0785","","","","","","1.064","","","","has coordinates","193290","2020-10-21","18:00:00",""
"4032309","10.6615","0.0008","11.4317","0.0009","17.7583","0.0014","90","","101.559","0.001","90","","2120.5","0.3","298","2","298","2","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","","","- C28 H19 I -","- C28 H19 I -","- C112 H76 I4 -","4","1","","García-García, Patricia; Sanjuán, Ana M; Rashid, Muhammad A.; Martínez-Cuezva, Alberto; Fernández-Rodríguez, Manuel A; Rodríguez, Félix; Sanz, Roberto","Synthesis of Functionalized 1H-Indenes and Benzofulvenes through Iodocyclization of o-(Alkynyl)styrenes.","The Journal of organic chemistry","2017","82","2","1155","1165","10.1021/acs.joc.6b02788","","","0.71073","MoKα","","0.0314","0.0286","","","0.0795","0.0812","","","","","","1.067","","","","has coordinates","193291","2020-10-21","18:00:00",""
"4032310","6.5366","0.0004","9.8897","0.0006","13.2763","0.001","90","","96.641","0.002","90","","852.49","0.1","173","2","173","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C17 H14 F N5 O4 -","- C17 H14 F N5 O4 -","- C34 H28 F2 N10 O8 -","2","1","","Kinens, Artis; Sejejs, Marcis; Kamlet, Adam S.; Piotrowski, David W.; Vedejs, Edwin; Suna, Edgars","Development of a Chiral DMAP Catalyst for the Dynamic Kinetic Resolution of Azole Hemiaminals.","The Journal of organic chemistry","2017","82","2","869","886","10.1021/acs.joc.6b02955","","","0.71073","MoKα","","0.1331","0.0662","","","0.1143","0.1362","","","","","","1.008","","","","has coordinates","193292","2020-10-21","18:00:00",""
"4032311","13.5743","0.0005","7.6627","0.0004","18.0825","0.0011","90","","107.822","0.0017","90","","1790.61","0.16","193","2","193","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C17 H14 Br N5 O4 -","- C17 H14 Br N5 O4 -","- C68 H56 Br4 N20 O16 -","4","2","","Kinens, Artis; Sejejs, Marcis; Kamlet, Adam S.; Piotrowski, David W.; Vedejs, Edwin; Suna, Edgars","Development of a Chiral DMAP Catalyst for the Dynamic Kinetic Resolution of Azole Hemiaminals.","The Journal of organic chemistry","2017","82","2","869","886","10.1021/acs.joc.6b02955","","","0.71073","MoKα","","0.1263","0.0797","","","0.1501","0.1697","","","","","","1.096","","","","has coordinates","193293","2020-10-21","18:00:00",""
"4032312","8.83606","0.00017","16.4052","0.0004","18.6621","0.0004","90","","98.1201","0.0007","90","","2678.09","0.1","103","","103","","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C63 H70 Cl2 N4 Ni2 -","- C63 H70 Cl2 N4 Ni2 -","- C126 H140 Cl4 N8 Ni4 -","2","0.5","","Ando, Shin; Matsunaga, Hirofumi; Ishizuka, Tadao","An N-Heterocyclic Carbene-Nickel Half-Sandwich Complex as a Precatalyst for Suzuki-Miyaura Coupling of Aryl/Heteroaryl Halides with Aryl/Heteroarylboronic Acids.","The Journal of organic chemistry","2017","82","2","1266","1272","10.1021/acs.joc.6b02666","","","0.71075","MoKα","","0.0325","0.0303","","","0.0778","0.0795","","","","","","1.049","","","","has coordinates,has disorder","193294","2020-10-21","18:00:00",""
"4032313","6.0244","0.0004","16.4432","0.001","20.5214","0.0013","90","","90","","90","","2032.9","0.2","100","2","99.99","","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C19 H30 N2 O5 -","- C19 H30 N2 O5 -","- C76 H120 N8 O20 -","4","1","","Kang, Chang Won; Sarnowski, Matthew P.; Elbatrawi, Yassin M.; Del Valle, Juan R.","Access to Enantiopure α-Hydrazino Acids for N-Amino Peptide Synthesis.","The Journal of organic chemistry","2017","82","3","1833","1841","10.1021/acs.joc.6b02718","","","1.54178","CuKα","","0.1085","0.0704","","","0.1644","0.1892","","","","","","1.046","","","","has coordinates","193295","2020-10-21","18:00:00",""
"4032314","10.648","0.003","11.0701","0.0017","11.8977","0.0018","116.548","0.002","101.481","0.003","102.641","0.003","1151.2","0.4","296","2","296.15","","","","","","","","","4","P -1","-P 1","2","","","","- C31 H23 N O2 -","- C31 H23 N O2 -","- C62 H46 N2 O4 -","2","1","","Han, Ya-Ping; Li, Xue-Song; Zhu, Xin-Yu; Li, Ming; Zhou, Li; Song, Xian-Rong; Liang, Yong-Min","Lewis Acid Catalyzed Dehydrogenative Coupling of Tertiary Propargylic Alcohols with Quinoline N-Oxides.","The Journal of organic chemistry","2017","82","3","1697","1704","10.1021/acs.joc.6b02882","","","0.71073","MoKα","","0.0839","0.0482","","","0.1196","0.1534","","","","","","1.038","","","","has coordinates","193296","2020-10-21","18:00:00",""
"4032315","16.3051","0.0007","6.5192","0.0003","15.4278","0.0006","90","","97.909","0.001","90","","1624.32","0.12","100","2","100","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C14 H18 N O9 -","- C14 H18 N O9 -","- C56 H72 N4 O36 -","4","0.5","","Huang, Shengdian; Paletta, Joseph T.; Elajaili, Hanan; Huber, Kirby; Pink, Maren; Rajca, Suchada; Eaton, Gareth R.; Eaton, Sandra S.; Rajca, Andrzej","Synthesis and Electron Spin Relaxation of Tetracarboxylate Pyrroline Nitroxides.","The Journal of organic chemistry","2017","82","3","1538","1544","10.1021/acs.joc.6b02737","","","0.41328","synchrotron","","0.0645","0.0494","","","0.1273","0.1513","","","","","","1.23","","","","has coordinates","193297","2020-10-21","18:00:00",""
"4032316","8.6695","0.0016","10.986","0.002","13.159","0.003","81.424","0.004","76.719","0.004","69.087","0.004","1136.3","0.4","120","2","120","2","","","","","","","","4","P -1","-P 1","2","","","","- C29 H30 N2 S -","- C29 H30 N2 S -","- C58 H60 N4 S2 -","2","1","","Lvov, Andrey G.; Kavun, Alexey M.; Kachala, Vadim V.; Nelyubina, Yulia V.; Metelitsa, Anatoly V.; Shirinian, Valerii Z.","Structural and Spectral Properties of Photochromic Diarylethenes: Size Effect of the Ethene Bridge.","The Journal of organic chemistry","2017","82","3","1477","1486","10.1021/acs.joc.6b02665","","","0.71073","MoKα","","0.0757","0.0597","","","0.136","0.1433","","","","","","1.074","","","","has coordinates,has disorder","193298","2020-10-21","18:00:00",""
"4032317","5.3972","0.0004","9.9775","0.0007","14.1887","0.001","97.739","0.007","93.504","0.007","99.049","0.007","745.04","0.1","293","","293","","","","","","","","","5","P -1","-P 1","2","","","","- C16 H10 Br Cl F4 -","- C32 H20 Br2 Cl2 F8 -","- C32 H20 Br2 Cl2 F8 -","1","0.5","","Sakaguchi, Yukiho; Yamada, Shigeyuki; Konno, Tsutomu; Agou, Tomohiro; Kubota, Toshio","Stereochemically Defined Various Multisubstituted Alkenes Bearing a Tetrafluoroethylene (-CF2CF2-) Fragment.","The Journal of organic chemistry","2017","82","3","1618","1631","10.1021/acs.joc.6b02793","","","0.71075","MoKα","","0.034","0.0292","","","0.0673","0.0697","","","","","","1.06","","","","has coordinates","193299","2020-10-21","18:00:00",""
"4032318","5.744","0.0002","9.868","0.0002","26.1249","0.0006","89.552","0.002","84.71","0.002","76.664","0.002","1434.6","0.07","173","2","173","2","","","","","","","","4","P -1","-P 1","2","","","","- C16 H11 Br F4 -","- C16 H11 Br F4 -","- C64 H44 Br4 F16 -","4","2","","Sakaguchi, Yukiho; Yamada, Shigeyuki; Konno, Tsutomu; Agou, Tomohiro; Kubota, Toshio","Stereochemically Defined Various Multisubstituted Alkenes Bearing a Tetrafluoroethylene (-CF2CF2-) Fragment.","The Journal of organic chemistry","2017","82","3","1618","1631","10.1021/acs.joc.6b02793","","","0.71073","MoKα","","0.0421","0.0302","","","0.0652","0.0711","","","","","","1.011","","","","has coordinates","193300","2020-10-21","18:00:00",""
"4032319","8.7897","0.0001","12.307","0.0002","26.0231","0.0003","90","","93.932","0.001","90","","2808.42","0.06","288","2","288","2","","","","","","","","3","P 1 21 1","P 2yb","4","","","","- C30 H48 O4 -","- C30 H48 O4 -","- C120 H192 O16 -","4","2","","Hou, Ji-Qin; Guo, Cui; Zhao, Jian-Juan; He, Qi-Wei; Zhang, Bao-Bao; Wang, Hao","Frutescone A-G, Tasmanone-Based Meroterpenoids from the aerial parts of Baeckea frutescens.","The Journal of organic chemistry","2017","82","3","1448","1457","10.1021/acs.joc.6b02643","","","1.54184","CuKα","","0.0432","0.0402","","","0.1223","0.1269","","","","","","1.031","","","","has coordinates","193301","2020-10-21","18:00:00",""
"4032320","9.111","0.0001","9.8829","0.0001","14.9752","0.0002","90","","100.127","0.001","90","","1327.41","0.03","291","2","291","2","","","","","","","","3","P 1 21 1","P 2yb","4","","","","- C29 H44 O3 -","- C29 H44 O3 -","- C58 H88 O6 -","2","1","","Hou, Ji-Qin; Guo, Cui; Zhao, Jian-Juan; He, Qi-Wei; Zhang, Bao-Bao; Wang, Hao","Frutescone A-G, Tasmanone-Based Meroterpenoids from the aerial parts of Baeckea frutescens.","The Journal of organic chemistry","2017","82","3","1448","1457","10.1021/acs.joc.6b02643","","","1.54184","CuKα","","0.0358","0.0355","","","0.1036","0.104","","","","","","1.06","","","","has coordinates","193302","2020-10-21","18:00:00",""
"4032321","5.9648","0.0003","34.2029","0.0015","10.1737","0.0006","90","","91.052","0.005","90","","2075.22","0.18","297","2","297","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C11 H13 N3 O -","- C11 H13 N3 O -","- C88 H104 N24 O8 -","8","4","","Safin, Damir A.; Mitoraj, Mariusz P.; Babashkina, Maria G.; Kubisiak, Piotr; Robeyns, Koen; Filinchuk, Yaroslav","Alternative Route Toward Nitrones: Experimental and Theoretical Findings.","The Journal of organic chemistry","2017","82","3","1666","1675","10.1021/acs.joc.6b02821","","","0.71073","MoKα","","0.069","0.06","","","0.1579","0.1676","","","","","","1.087","","","","has coordinates","193303","2020-10-21","18:00:00",""
"4032322","30.257","0.002","6.1188","0.0004","18.0108","0.0013","90","","90","","90","","3334.5","0.4","150","2","150","2","","","","","","","","3","P c a 21","P 2c -2ac","29","","","","- C14 H10 N4 -","- C14 H10 N4 -","- C168 H120 N48 -","12","3","","Safin, Damir A.; Mitoraj, Mariusz P.; Babashkina, Maria G.; Kubisiak, Piotr; Robeyns, Koen; Filinchuk, Yaroslav","Alternative Route Toward Nitrones: Experimental and Theoretical Findings.","The Journal of organic chemistry","2017","82","3","1666","1675","10.1021/acs.joc.6b02821","","","0.71073","MoKα","","0.269","0.2165","","","0.4274","0.4573","","","","","","1.067","","","","has coordinates","193304","2020-10-21","18:00:00",""
"4032323","5.8539","0.0006","27.248","0.002","15.506","0.003","90","","100.049","0.013","90","","2435.4","0.6","150","2","150","2","","","","","","","","4","P 1 n 1","P -2yac","7","","","","- C14 H12 N4 O -","- C14 H12 N4 O -","- C112 H96 N32 O8 -","8","4","","Safin, Damir A.; Mitoraj, Mariusz P.; Babashkina, Maria G.; Kubisiak, Piotr; Robeyns, Koen; Filinchuk, Yaroslav","Alternative Route Toward Nitrones: Experimental and Theoretical Findings.","The Journal of organic chemistry","2017","82","3","1666","1675","10.1021/acs.joc.6b02821","","","0.71073","MoKα","","0.1194","0.0709","","","0.1698","0.1983","","","","","","1.022","","","","has coordinates,has disorder","193305","2020-10-21","18:00:00",""
"4032324","13.9167","0.0003","14.5107","0.0003","6.79621","0.00018","90","","90","","90","","1372.43","0.05","297","2","297","2","","","","","","","","4","P n a 21","P 2c -2n","33","","","","- C15 H13 N3 O2 -","- C15 H13 N3 O2 -","- C60 H52 N12 O8 -","4","1","","Safin, Damir A.; Mitoraj, Mariusz P.; Babashkina, Maria G.; Kubisiak, Piotr; Robeyns, Koen; Filinchuk, Yaroslav","Alternative Route Toward Nitrones: Experimental and Theoretical Findings.","The Journal of organic chemistry","2017","82","3","1666","1675","10.1021/acs.joc.6b02821","","","0.71073","MoKα","","0.0431","0.0402","","","0.1131","0.1161","","","","","","1.039","","","","has coordinates","193306","2020-10-21","18:00:00",""
"4032325","11.9213","0.0006","4.6621","0.0002","15.1386","0.0007","90","","104.387","0.005","90","","814.99","0.07","150","2","150","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C8 H9 N3 O -","- C8 H9 N3 O -","- C32 H36 N12 O4 -","4","1","","Safin, Damir A.; Mitoraj, Mariusz P.; Babashkina, Maria G.; Kubisiak, Piotr; Robeyns, Koen; Filinchuk, Yaroslav","Alternative Route Toward Nitrones: Experimental and Theoretical Findings.","The Journal of organic chemistry","2017","82","3","1666","1675","10.1021/acs.joc.6b02821","","","0.71073","MoKα","","0.0572","0.0492","","","0.1256","0.131","","","","","","1.077","","","","has coordinates","193307","2020-10-21","18:00:00",""
"4032326","6.3297","0.0013","19.665","0.004","22.568","0.005","90","","90","","90","","2809.1","1","293","2","293","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C16 H18 N2 O2 -","- C16 H18 N2 O2 -","- C128 H144 N16 O16 -","8","1","","Chang, Lina; Guo, Tao; Wang, Ziyi; Wang, Shaozhong; Yao, Zhu-Jun","Azepinoindole Synthesis via a N-Bromosuccinimide-Induced Cycloisomerization of Enaminoester/Enaminone.","The Journal of organic chemistry","2017","82","3","1567","1574","10.1021/acs.joc.6b02760","","","0.71073","MoKα","","0.1858","0.0759","","","0.1076","0.1344","","","","","","1","","","","has coordinates","193308","2020-10-21","18:00:00",""
"4032327","9.246","0.003","16.491","0.008","10.257","0.003","90","","110.25","0.03","90","","1467.3","1","80","2","80","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C17 H18 N2 -","- C17 H18 N2 -","- C68 H72 N8 -","4","1","","Pigulski, Bartłomiej; Męcik, Patrycja; Cichos, Jakub; Szafert, Sławomir","Use of Stable Amine-Capped Polyynes in the Regioselective Synthesis of Push-Pull Thiophenes.","The Journal of organic chemistry","2017","82","3","1487","1498","10.1021/acs.joc.6b02685","","","0.71073","MoKα","","0.1464","0.0755","","","0.1492","0.1816","","","","","","1.02","","","","has coordinates","193309","2020-10-21","18:00:00",""
"4032328","11.512","0.004","9.57","0.003","9.098","0.003","90","","112.68","0.03","90","","924.8","0.6","80","2","80","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C10 H11 N O2 -","- C10 H11 N O2 -","- C40 H44 N4 O8 -","4","1","","Pigulski, Bartłomiej; Męcik, Patrycja; Cichos, Jakub; Szafert, Sławomir","Use of Stable Amine-Capped Polyynes in the Regioselective Synthesis of Push-Pull Thiophenes.","The Journal of organic chemistry","2017","82","3","1487","1498","10.1021/acs.joc.6b02685","","","0.71073","MoKα","","0.1162","0.0688","","","0.1635","0.1901","","","","","","1.021","","","","has coordinates","193309","2020-10-21","18:00:00",""
"4032329","5.748","0.002","9.359","0.003","14.383","0.005","83.71","0.03","79.77","0.03","74.56","0.03","732.4","0.4","80","","80","","","","","","","","","4","P -1","-P 1","2","","","","- C18 H14 N2 O2 -","- C18 H14 N2 O2 -","- C36 H28 N4 O4 -","2","1","","Pigulski, Bartłomiej; Męcik, Patrycja; Cichos, Jakub; Szafert, Sławomir","Use of Stable Amine-Capped Polyynes in the Regioselective Synthesis of Push-Pull Thiophenes.","The Journal of organic chemistry","2017","82","3","1487","1498","10.1021/acs.joc.6b02685","","","0.71073","MoKα","","0.1082","0.0557","","","0.0909","0.109","","","","","","1.02","","","","has coordinates,has disorder","193309","2020-10-21","18:00:00",""
"4032330","8.074","0.002","8.623","0.002","22.992","0.006","90","","99.38","0.03","90","","1579.3","0.7","80","2","80","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C18 H18 N2 O2 -","- C18 H18 N2 O2 -","- C72 H72 N8 O8 -","4","1","","Pigulski, Bartłomiej; Męcik, Patrycja; Cichos, Jakub; Szafert, Sławomir","Use of Stable Amine-Capped Polyynes in the Regioselective Synthesis of Push-Pull Thiophenes.","The Journal of organic chemistry","2017","82","3","1487","1498","10.1021/acs.joc.6b02685","","","0.71073","MoKα","","0.0736","0.0483","","","0.0978","0.1136","","","","","","1.015","","","","has coordinates","193309","2020-10-21","18:00:00",""
"4032331","6.0498","0.0017","8.2177","0.0019","16.171","0.005","88.79","0.05","82.33","0.05","81.94","0.05","788.9","0.4","153","2","153","2","","","","","","","","4","P -1","-P 1","2","","","","- C20 H14 N2 O2 -","- C20 H14 N2 O2 -","- C40 H28 N4 O4 -","2","1","","Pigulski, Bartłomiej; Męcik, Patrycja; Cichos, Jakub; Szafert, Sławomir","Use of Stable Amine-Capped Polyynes in the Regioselective Synthesis of Push-Pull Thiophenes.","The Journal of organic chemistry","2017","82","3","1487","1498","10.1021/acs.joc.6b02685","","","0.71073","MoKα","","0.1665","0.0816","","","0.0858","0.1107","","","","","","1.006","","","","has coordinates","193309","2020-10-21","18:00:00",""
"4032332","6.096","0.002","7.633","0.002","27.289","0.008","90","","91.67","0.03","90","","1269.2","0.7","80","2","80","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C15 H14 N2 S -","- C15 H14 N2 S -","- C60 H56 N8 S4 -","4","1","","Pigulski, Bartłomiej; Męcik, Patrycja; Cichos, Jakub; Szafert, Sławomir","Use of Stable Amine-Capped Polyynes in the Regioselective Synthesis of Push-Pull Thiophenes.","The Journal of organic chemistry","2017","82","3","1487","1498","10.1021/acs.joc.6b02685","","","0.71073","MoKα","","0.1017","0.0764","","","0.1261","0.1378","","","","","","1.154","","","","has coordinates","193309","2020-10-21","18:00:00",""
"4032333","9.0314","0.0006","9.1791","0.0007","10.927","0.0006","71.905","0.006","71.569","0.006","61.983","0.007","744.33","0.1","293","2","293","2","","","","","","","","4","P -1","-P 1","2","","","","- C16 H14 N2 O3 -","- C16 H14 N2 O3 -","- C32 H28 N4 O6 -","2","1","","Zhang, Huaiyuan; Huang, Danfeng; Wang, Ke-Hu; Li, Jun; Su, Yingpeng; Hu, Yulai","Synthesis of Benzimidazolones via One-Pot Reaction of Hydroxylamines, Aldehydes, and Trimethylsilyl Cyanide Promoted by Diacetoxyiodobenzene.","The Journal of organic chemistry","2017","82","3","1600","1609","10.1021/acs.joc.6b02781","","x-ray","0.71073","MoKα","","0.0877","0.0562","","","0.1325","0.1546","","","","","","1.104","","","","has coordinates","193310","2020-10-21","18:00:00",""
"4032334","6.2961","0.0001","8.1075","0.0001","10.7109","0.0002","82.602","0.001","83.304","0.001","81.408","0.001","533.459","0.015","140","2","140","2","","","","","","","","3","P 1","P 1","1","","","","- C23 H34 O4 -","- C23 H34 O4 -","- C23 H34 O4 -","1","1","","Liao, Hai-Bing; Huang, Guang-Hui; Yu, Mei-Hua; Lei, Chun; Hou, Ai-Jun","Five Pairs of Meroterpenoid Enantiomers from Rhododendron capitatum.","The Journal of organic chemistry","2017","82","3","1632","1637","10.1021/acs.joc.6b02800","","","1.54178","CuKα","","0.0513","0.0458","","","0.1304","0.1435","","","","","","1.133","","","","has coordinates","193311","2020-10-21","18:00:00",""
"4032335","8.3667","0.0002","5.5161","0.0002","15.6625","0.0004","90","","102.589","0.001","90","","705.47","0.04","140","2","140","2","","","","","","","","3","P 1 21 1","P 2yb","4","","","","- C17 H22 O3 -","- C17 H22 O3 -","- C34 H44 O6 -","2","1","","Liao, Hai-Bing; Huang, Guang-Hui; Yu, Mei-Hua; Lei, Chun; Hou, Ai-Jun","Five Pairs of Meroterpenoid Enantiomers from Rhododendron capitatum.","The Journal of organic chemistry","2017","82","3","1632","1637","10.1021/acs.joc.6b02800","","","1.54178","CuKα","","0.0366","0.0357","","","0.1033","0.1048","","","","","","1.115","","","","has coordinates","193312","2020-10-21","18:00:00",""
"4032336","7.4341","0.0001","14.7479","0.0002","13.3819","0.0001","90","","91.31","","90","","1466.77","0.03","140","2","140","2","","","","","","","","3","P 1 21 1","P 2yb","4","","","","- C17 H22 O3 -","- C17 H22 O3 -","- C68 H88 O12 -","4","2","","Liao, Hai-Bing; Huang, Guang-Hui; Yu, Mei-Hua; Lei, Chun; Hou, Ai-Jun","Five Pairs of Meroterpenoid Enantiomers from Rhododendron capitatum.","The Journal of organic chemistry","2017","82","3","1632","1637","10.1021/acs.joc.6b02800","","","1.54178","CuKα","","0.0338","0.0331","","","0.0847","0.0901","","","","","","1.095","","","","has coordinates","193313","2020-10-21","18:00:00",""
"4032337","5.84776","0.00016","9.0048","0.0002","24.9796","0.0005","90","","92.069","0.002","90","","1314.52","0.05","293.15","","293.15","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C15 H11 Br O2 -","- C15 H11 Br O2 -","- C60 H44 Br4 O8 -","4","1","","He, Zhen; Qi, Xiaotian; She, Zhijie; Zhao, Yinsong; Li, Shiqing; Tang, Junbin; Gao, Ge; Lan, Yu; You, Jingsong","Room-Temperature Coupling/Decarboxylation Reaction of α-Oxocarboxylates with α-Bromoketones: Solvent-Controlled Regioselectivity for 1,2- and 1,3-Diketones.","The Journal of organic chemistry","2017","82","3","1403","1411","10.1021/acs.joc.6b02575","","x-ray","1.54184","CuKα","","0.0585","0.0547","","","0.1513","0.1568","","","","","","1.05","","","","has coordinates","193314","2020-10-21","18:00:00",""
"4032338","10.1471","0.0003","13.2702","0.0003","14.9401","0.0004","90","","106.293","0.003","90","","1930.95","0.09","293","","293","","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C21 H21 N O5 -","- C21 H21 N O5 -","- C84 H84 N4 O20 -","4","1","","He, Zhen; Qi, Xiaotian; She, Zhijie; Zhao, Yinsong; Li, Shiqing; Tang, Junbin; Gao, Ge; Lan, Yu; You, Jingsong","Room-Temperature Coupling/Decarboxylation Reaction of α-Oxocarboxylates with α-Bromoketones: Solvent-Controlled Regioselectivity for 1,2- and 1,3-Diketones.","The Journal of organic chemistry","2017","82","3","1403","1411","10.1021/acs.joc.6b02575","","x-ray","1.54184","CuKα","","0.0651","0.0578","","","0.1641","0.1741","","","","","","1.037","","","","has coordinates","193315","2020-10-21","18:00:00",""
"4032339","5.82677","0.00011","9.95071","0.00018","13.6194","0.0003","90","","101.711","0.0018","90","","773.22","0.03","290","2","290","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C20 H17 N0.5 O3 -","- C19 H17 N O3 -","- C38 H34 N2 O6 -","2","1","","Zhang, Yong; Wang, Qiuyan; Wang, Ting; He, Huan; Yang, Wenqiang; Zhang, Xinhao; Cai, Qian","Enantioselective Synthesis of Chiral Oxygen-Containing Heterocycles Using Copper-Catalyzed Aryl C-O Coupling Reactions via Asymmetric Desymmetrization.","The Journal of organic chemistry","2017","82","3","1458","1463","10.1021/acs.joc.6b02646","","x-ray","1.54184","CuKα","","0.0308","0.0302","","","0.0782","0.0796","","","","","","1.101","","","","has coordinates","193316","2020-10-21","18:00:00",""
"4032340","7.598","0.005","12.832","0.009","13.345","0.009","74.526","0.007","76.45","0.007","82.005","0.007","1215","1.4","170","2","170","2","","","","","","","","4","P -1","-P 1","2","","","","- C14 H12 O2 S -","- C14 H12 O2 S -","- C56 H48 O8 S4 -","4","2","","Kim, Ji Eun; Lee, Jinsub; Yun, Hyunsik; Baek, Yonghyeon; Lee, Phil Ho","Rhodium-Catalyzed Intramolecular Transannulation Reaction of Alkynyl Thiadiazole Enabled 5,n-Fused Thiophenes.","The Journal of organic chemistry","2017","82","3","1437","1447","10.1021/acs.joc.6b02614","","","0.71073","","","0.0757","0.0429","","","0.0906","0.1018","","","","","","1.033","","","","has coordinates","193317","2020-10-21","18:00:00",""
"4032341","9.7527","0.0006","8.3311","0.0006","24.3083","0.0018","90","","100.212","0.006","90","","1943.8","0.2","293","2","293","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C22 H18 Cl N3 O2 S -","- C22 H18 Cl N3 O2 S -","- C88 H72 Cl4 N12 O8 S4 -","4","1","","De, Pinaki Bhusan; Pradhan, Sourav; Punniyamurthy, Tharmalingam","Stereoselective Copper-Catalyzed Cross-Coupling of Aziridines with Benzimidazoles via Nucleophilic Ring Opening and C(sp(2))-H Functionalization.","The Journal of organic chemistry","2017","82","6","3183","3191","10.1021/acs.joc.7b00265","","","0.71073","MoKα","","0.0679","0.0496","","","0.1295","0.138","","","","","","1.081","","","","has coordinates","194851","2020-10-21","18:00:00",""
"4032342","13.4172","0.0013","6.0529","0.0004","28.871","0.002","90","","117.325","0.006","90","","2083.1","0.3","298","2","298","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C22 H27 N3 O2 S -","- C22 H27 N3 O2 S -","- C88 H108 N12 O8 S4 -","4","1","","De, Pinaki Bhusan; Pradhan, Sourav; Punniyamurthy, Tharmalingam","Stereoselective Copper-Catalyzed Cross-Coupling of Aziridines with Benzimidazoles via Nucleophilic Ring Opening and C(sp(2))-H Functionalization.","The Journal of organic chemistry","2017","82","6","3183","3191","10.1021/acs.joc.7b00265","","","0.71073","MoKα","","0.1077","0.0445","","","0.0852","0.0953","","","","","","0.8","","","","has coordinates","194851","2020-10-21","18:00:00",""
"4032343","5.76624","0.00017","11.7165","0.0003","19.6213","0.0006","90","","90","","90","","1325.62","0.07","291","2","291.15","","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C15 H10 Cl N O3 -","- C15 H10 Cl N O3 -","- C60 H40 Cl4 N4 O12 -","4","1","","Liu, Yueyang; Zhang, Zhiguo; Wan, Yameng; Zhang, Guisheng; Li, Zhonglian; Bi, Jingjing; Ma, Nana; Liu, Tong-Xin; Liu, Qingfeng","Oxidation of β-Ketoamides: The Synthesis of Vicinal Tricarbonyl Amides.","The Journal of organic chemistry","2017","","","","","10.1021/acs.joc.6b03062","","","1.54184","CuKα","","0.0492","0.0417","","","0.0908","0.0978","","","","","","1.059","","","","has coordinates","194056","2020-10-21","18:00:00",""
"4032344","11.21961","0.00004","11.09937","0.00005","18.19019","0.00007","90","","104.933","0.0004","90","","2188.73","0.016","150","2","150","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C25 H27 N O4 S -","- C25 H27 N O4 S -","- C100 H108 N4 O16 S4 -","4","1","","Zhao, Yichao; Jin, Jianwen; Boyle, Joshua William; Lee, Bo Ra; Day, David Philip; Susanti, Dewi; Clarkson, Guy James; Chan, Philip Wai Hong","Silver-Catalyzed 1,3-Acyloxy Migration/Diels-Alder Reaction of 1,9-Dien-4-yne Esters to Partially Hydrogenated Isoquinolines.","The Journal of organic chemistry","2017","82","6","2826","2834","10.1021/acs.joc.7b00048","","x-ray","1.54184","CuKα","","0.0405","0.0403","","","0.1104","0.1106","","","","","","1.04","","","","has coordinates","194852","2020-10-21","18:00:00",""
"4032345","21.016","0.004","5.9939","0.0011","30.001","0.006","90","","99.403","0.004","90","","3728.4","1.2","100","2","100","2","","","","","","","","3","C 1 2/c 1","-C 2yc","15","","","","- C25 H22 O3 -","- C25 H22 O3 -","- C200 H176 O24 -","8","1","","Chan, Chieh-Kai; Chen, Yu-Hsin; Tsai, Yu-Lin; Chang, Meng-Yang","Synthesis of Substituted 1,6-Diarylnaphthalenes via a Tandem Claisen Rearrangement and Ene Reaction Protocol.","The Journal of organic chemistry","2017","82","6","3317","3326","10.1021/acs.joc.7b00108","","","0.71073","MoKα","","0.0764","0.0464","","","0.1","0.1131","","","","","","1.023","","","","has coordinates","194857","2020-10-21","18:00:00",""
"4032346","25.5837","0.0007","17.5631","0.0005","18.0778","0.0005","90","","95.177","0.001","90","","8089.7","0.4","100","2","100","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C28 H26 O2 -","- C28 H26 O2 -","- C448 H416 O32 -","16","4","","Chan, Chieh-Kai; Chen, Yu-Hsin; Tsai, Yu-Lin; Chang, Meng-Yang","Synthesis of Substituted 1,6-Diarylnaphthalenes via a Tandem Claisen Rearrangement and Ene Reaction Protocol.","The Journal of organic chemistry","2017","82","6","3317","3326","10.1021/acs.joc.7b00108","","","0.71073","MoKα","","0.08","0.0507","","","0.1437","0.1703","","","","","","1.028","","","","has coordinates","194857","2020-10-21","18:00:00",""
"4032347","7.7664","0.0008","8.1366","0.0009","34.746","0.004","90","","90","","90","","2195.7","0.4","99","2","99","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C30 H24 O2 -","- C30 H24 O2 -","- C120 H96 O8 -","4","1","","Chan, Chieh-Kai; Chen, Yu-Hsin; Tsai, Yu-Lin; Chang, Meng-Yang","Synthesis of Substituted 1,6-Diarylnaphthalenes via a Tandem Claisen Rearrangement and Ene Reaction Protocol.","The Journal of organic chemistry","2017","82","6","3317","3326","10.1021/acs.joc.7b00108","","","0.71073","MoKα","","0.0827","0.0493","","","0.0906","0.1015","","","","","","1.029","","","","has coordinates","194857","2020-10-21","18:00:00",""
"4032348","16.4015","0.0013","10.9309","0.001","25.431","0.002","90","","101.801","0.003","90","","4463","0.6","100","2","100","2","","","","","","","","3","C 1 2/c 1","-C 2yc","15","","","","- C31 H26 O2 -","- C31 H26 O2 -","- C248 H208 O16 -","8","1","","Chan, Chieh-Kai; Chen, Yu-Hsin; Tsai, Yu-Lin; Chang, Meng-Yang","Synthesis of Substituted 1,6-Diarylnaphthalenes via a Tandem Claisen Rearrangement and Ene Reaction Protocol.","The Journal of organic chemistry","2017","82","6","3317","3326","10.1021/acs.joc.7b00108","","","0.71073","MoKα","","0.0445","0.0389","","","0.1009","0.1048","","","","","","1.046","","","","has coordinates","194857","2020-10-21","18:00:00",""
"4032349","17.9825","0.0012","7.8621","0.0005","31.386","0.002","90","","99.609","0.002","90","","4375.1","0.5","100","2","100","2","","","","","","","","3","C 1 c 1","C -2yc","9","","","","- C29 H24 O3 -","- C29 H24 O3 -","- C232 H192 O24 -","8","2","","Chan, Chieh-Kai; Chen, Yu-Hsin; Tsai, Yu-Lin; Chang, Meng-Yang","Synthesis of Substituted 1,6-Diarylnaphthalenes via a Tandem Claisen Rearrangement and Ene Reaction Protocol.","The Journal of organic chemistry","2017","82","6","3317","3326","10.1021/acs.joc.7b00108","","","0.71073","MoKα","","0.0581","0.0457","","","0.0964","0.1038","","","","","","0.999","","","","has coordinates","250444","2020-10-21","18:00:00",""
"4032350","20.392","0.002","10.2856","0.001","9.7344","0.0015","90","","90","","90","","2041.7","0.4","293","2","293","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C20 H21 N O6 S -","- C20 H21 N O6 S -","- C80 H84 N4 O24 S4 -","4","1","","Nath, Utpal; Pan, Subhas Chandra","Organocatalytic Asymmetric Tamura Cycloaddition with α- Branched Nitroolefins: Synthesis of Functionalized 1-Tetralones.","The Journal of organic chemistry","2017","","","","","10.1021/acs.joc.6b03020","","","0.71073","MoKα","","0.1372","0.0921","","","0.1632","0.1863","","","","","","1.093","","","","has coordinates","194063","2020-10-21","18:00:00",""
"4032351","9.7078","0.0005","9.0603","0.0004","24.536","0.003","90","","92.431","0.007","90","","2156.1","0.3","110.5","0.3","110.5","0.3","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C26 H23 Fe2 O4 P -","- C26 H23 Fe2 O4 P -","- C104 H92 Fe8 O16 P4 -","4","1","","Korb, Marcus; Lehrich, Steve W.; Lang, Heinrich","Reactivity of Ferrocenyl Phosphates Bearing (Hetero-)Aromatics and [3]Ferrocenophanes toward Anionic Phospho-Fries Rearrangements","The Journal of Organic Chemistry","2017","","","","","10.1021/acs.joc.7b00030","","","0.71073","MoKα","","0.0436","0.0346","","","0.073","0.0765","","","","","","1.046","","","","has coordinates","194064","2020-10-21","18:00:00",""
"4032352","15.6912","0.0009","10.1639","0.0004","17.1179","0.0009","90","","117.157","0.007","90","","2429.1","0.3","110.6","0.2","110.6","0.2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C30 H25 Fe2 O4 P -","- C30 H25 Fe2 O4 P -","- C120 H100 Fe8 O16 P4 -","4","1","","Korb, Marcus; Lehrich, Steve W.; Lang, Heinrich","Reactivity of Ferrocenyl Phosphates Bearing (Hetero-)Aromatics and [3]Ferrocenophanes toward Anionic Phospho-Fries Rearrangements","The Journal of Organic Chemistry","2017","","","","","10.1021/acs.joc.7b00030","","","0.71073","MoKα","","0.0762","0.0675","","","0.1637","0.1719","","","","","","1.034","","","","has coordinates","194064","2020-10-21","18:00:00",""
"4032353","8.0069","0.0005","11.3428","0.0011","15.2484","0.0014","88.134","0.008","76.822","0.007","78.953","0.006","1323.3","0.2","112.4","0.5","112.4","0.5","","","","","","","","5","P -1","-P 1","2","","","","- C31 H29 Fe3 O4 P -","- C31 H29 Fe3 O4 P -","- C62 H58 Fe6 O8 P2 -","2","1","","Korb, Marcus; Lehrich, Steve W.; Lang, Heinrich","Reactivity of Ferrocenyl Phosphates Bearing (Hetero-)Aromatics and [3]Ferrocenophanes toward Anionic Phospho-Fries Rearrangements","The Journal of Organic Chemistry","2017","","","","","10.1021/acs.joc.7b00030","","","0.71073","MoKα","","0.0653","0.0409","","","0.0772","0.0812","","","","","","0.845","","","","has coordinates","194064","2020-10-21","18:00:00",""
"4032354","13.5139","0.0006","16.1835","0.001","7.1844","0.0004","90","","90","","90","","1571.24","0.15","120","0.1","120","0.1","","","","","","","","4","P n m a","-P 2ac 2n","62","","","","- C18 H15 O4 P -","- C18 H15 O4 P -","- C72 H60 O16 P4 -","4","0.5","","Korb, Marcus; Lehrich, Steve W.; Lang, Heinrich","Reactivity of Ferrocenyl Phosphates Bearing (Hetero-)Aromatics and [3]Ferrocenophanes toward Anionic Phospho-Fries Rearrangements","The Journal of Organic Chemistry","2017","","","","","10.1021/acs.joc.7b00030","","","0.71073","MoKα","","0.0646","0.0465","","","0.1099","0.1206","","","","","","1.054","","","","has coordinates","194064","2020-10-21","18:00:00",""
"4032355","13.4841","0.0007","7.2373","0.0004","23.0311","0.0014","90","","106.7","0.006","90","","2152.8","0.2","110.6","0.2","110.6","0.2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C26 H23 Fe2 O4 P -","- C26 H23 Fe2 O4 P -","- C104 H92 Fe8 O16 P4 -","4","1","","Korb, Marcus; Lehrich, Steve W.; Lang, Heinrich","Reactivity of Ferrocenyl Phosphates Bearing (Hetero-)Aromatics and [3]Ferrocenophanes toward Anionic Phospho-Fries Rearrangements","The Journal of Organic Chemistry","2017","","","","","10.1021/acs.joc.7b00030","","","0.71073","MoKα","","0.0827","0.0516","","","0.1036","0.1137","","","","","","1.015","","","","has coordinates,has disorder","194064","2020-10-21","18:00:00",""
"4032356","9.1403","0.0004","7.669","0.0005","28.9649","0.0016","90","","91.773","0.004","90","","2029.38","0.19","120","0.1","120","0.1","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C24 H23 Fe O4 P -","- C24 H23 Fe O4 P -","- C96 H92 Fe4 O16 P4 -","4","1","","Korb, Marcus; Lehrich, Steve W.; Lang, Heinrich","Reactivity of Ferrocenyl Phosphates Bearing (Hetero-)Aromatics and [3]Ferrocenophanes toward Anionic Phospho-Fries Rearrangements","The Journal of Organic Chemistry","2017","","","","","10.1021/acs.joc.7b00030","","","0.71073","MoKα","","0.0484","0.0373","","","0.0825","0.0887","","","","","","1.022","","","","has coordinates,has disorder","194064","2020-10-21","18:00:00",""
"4032357","7.3299","0.0004","12.7651","0.0008","15.0173","0.0008","111.569","0.005","97.97","0.004","94.641","0.004","1280.77","0.14","114","3","114","3","","","","","","","","5","P -1","-P 1","2","","","","- C31 H27 Fe2 O4 P -","- C31 H27 Fe2 O4 P -","- C62 H54 Fe4 O8 P2 -","2","1","","Korb, Marcus; Lehrich, Steve W.; Lang, Heinrich","Reactivity of Ferrocenyl Phosphates Bearing (Hetero-)Aromatics and [3]Ferrocenophanes toward Anionic Phospho-Fries Rearrangements","The Journal of Organic Chemistry","2017","","","","","10.1021/acs.joc.7b00030","","","0.71073","MoKα","","0.1718","0.1138","","","0.327","0.35","","","","","","1.139","","","","has coordinates,has disorder","194064","2020-10-21","18:00:00",""
"4032358","11.1871","0.0006","11.4582","0.0008","12.6451","0.0009","67.616","0.007","83.493","0.005","62.541","0.006","1326.08","0.18","115","8","115","8","","","","","","","","5","P -1","-P 1","2","","","","- C32 H29 Fe2 O4 P -","- C32 H29 Fe2 O4 P -","- C64 H58 Fe4 O8 P2 -","2","1","","Korb, Marcus; Lehrich, Steve W.; Lang, Heinrich","Reactivity of Ferrocenyl Phosphates Bearing (Hetero-)Aromatics and [3]Ferrocenophanes toward Anionic Phospho-Fries Rearrangements","The Journal of Organic Chemistry","2017","","","","","10.1021/acs.joc.7b00030","","","0.71073","MoKα","","0.0648","0.0461","","","0.1101","0.1169","","","","","","1.032","","","","has coordinates","194064","2020-10-21","18:00:00",""
"4032359","37.5107","0.0016","29.4085","0.0015","6.2109","0.0004","90","","90","","90","","6851.5","0.6","120","0.1","120","0.1","","","","","","","","5","F d d 2","F 2 -2d","43","","","","- C20 H17 Fe2 O4 P -","- C20 H17 Fe2 O4 P -","- C320 H272 Fe32 O64 P16 -","16","1","","Korb, Marcus; Lehrich, Steve W.; Lang, Heinrich","Reactivity of Ferrocenyl Phosphates Bearing (Hetero-)Aromatics and [3]Ferrocenophanes toward Anionic Phospho-Fries Rearrangements","The Journal of Organic Chemistry","2017","","","","","10.1021/acs.joc.7b00030","","","0.71073","MoKα","","0.04","0.0316","","","0.0616","0.064","","","","","","1.039","","","","has coordinates","194064","2020-10-21","18:00:00",""
"4032360","10.4155","0.0003","11.6395","0.0004","23.3299","0.0012","90","","90","","90","","2828.31","0.19","120","0.1","120","0.1","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C32 H24 Cl3 Fe O4 P -","- C32 H24 Cl3 Fe O4 P -","- C128 H96 Cl12 Fe4 O16 P4 -","4","1","","Korb, Marcus; Lehrich, Steve W.; Lang, Heinrich","Reactivity of Ferrocenyl Phosphates Bearing (Hetero-)Aromatics and [3]Ferrocenophanes toward Anionic Phospho-Fries Rearrangements","The Journal of Organic Chemistry","2017","","","","","10.1021/acs.joc.7b00030","","","0.71073","MoKα","","0.0528","0.0433","","","0.092","0.0965","","","","","","1.024","","","","has coordinates","194064","2020-10-21","18:00:00",""
"4032361","11.8102","0.0002","10.9946","0.0002","16.4247","0.0003","90","","108.344","0.002","90","","2024.35","0.07","120","0.1","120","0.1","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C22 H29 Fe O4 P -","- C22 H29 Fe O4 P -","- C88 H116 Fe4 O16 P4 -","4","2","","Korb, Marcus; Lehrich, Steve W.; Lang, Heinrich","Reactivity of Ferrocenyl Phosphates Bearing (Hetero-)Aromatics and [3]Ferrocenophanes toward Anionic Phospho-Fries Rearrangements","The Journal of Organic Chemistry","2017","","","","","10.1021/acs.joc.7b00030","","","0.71073","MoKα","","0.0344","0.0322","","","0.0847","0.0863","","","","","","1.032","","","","has coordinates","194064","2020-10-21","18:00:00",""
"4032362","6.2344","0.0004","7.6337","0.0006","13.7942","0.0009","95.156","0.006","91.298","0.005","97.059","0.006","648.5","0.08","120","0.1","120","0.1","","","","","","","","5","P -1","-P 1","2","","","","- C30 H24 Fe3 O8 P2 -","- C30 H24 Fe3 O8 P2 -","- C30 H24 Fe3 O8 P2 -","1","0.5","","Korb, Marcus; Lehrich, Steve W.; Lang, Heinrich","Reactivity of Ferrocenyl Phosphates Bearing (Hetero-)Aromatics and [3]Ferrocenophanes toward Anionic Phospho-Fries Rearrangements","The Journal of Organic Chemistry","2017","","","","","10.1021/acs.joc.7b00030","","","0.71073","MoKα","","0.038","0.0339","","","0.0873","0.0896","","","","","","1.07","","","","has coordinates","194064","2020-10-21","18:00:00",""
"4032363","11.8453","0.001","11.2052","0.001","21.084","0.0015","90","","90","","90","","2798.5","0.4","107.35","0.1","107.35","0.1","","","","","","","","7","P b c a","-P 2ac 2ab","61","","","","- C13 H19 B Fe N O2 P -","- C13 H19 B Fe N O2 P -","- C104 H152 B8 Fe8 N8 O16 P8 -","8","1","","Korb, Marcus; Lehrich, Steve W.; Lang, Heinrich","Reactivity of Ferrocenyl Phosphates Bearing (Hetero-)Aromatics and [3]Ferrocenophanes toward Anionic Phospho-Fries Rearrangements","The Journal of Organic Chemistry","2017","","","","","10.1021/acs.joc.7b00030","","","0.71073","MoKα","","0.0699","0.0559","","","0.1429","0.1488","","","","","","1.085","","","","has coordinates","194064","2020-10-21","18:00:00",""
"4032364","51.506","0.002","7.4283","0.0003","11.2434","0.0005","90","","90.38","0.004","90","","4301.7","0.3","110","0.1","110","0.1","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C24 H28 Fe2 N O3 P -","- C24 H28 Fe2 N O3 P -","- C192 H224 Fe16 N8 O24 P8 -","8","1","","Korb, Marcus; Lehrich, Steve W.; Lang, Heinrich","Reactivity of Ferrocenyl Phosphates Bearing (Hetero-)Aromatics and [3]Ferrocenophanes toward Anionic Phospho-Fries Rearrangements","The Journal of Organic Chemistry","2017","","","","","10.1021/acs.joc.7b00030","","","0.71073","MoKα","","0.0456","0.042","","","0.1043","0.1063","","","","","","1.096","","","","has coordinates","194064","2020-10-21","18:00:00",""
"4032365","14.7934","0.0009","10.0854","0.0005","16.8952","0.0011","90","","112.527","0.007","90","","2328.4","0.3","115","0.1","115","0.1","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C28 H24 Fe2 N O3 P -","- C28 H24 Fe2 N O3 P -","- C112 H96 Fe8 N4 O12 P4 -","4","1","","Korb, Marcus; Lehrich, Steve W.; Lang, Heinrich","Reactivity of Ferrocenyl Phosphates Bearing (Hetero-)Aromatics and [3]Ferrocenophanes toward Anionic Phospho-Fries Rearrangements","The Journal of Organic Chemistry","2017","","","","","10.1021/acs.joc.7b00030","","","0.71073","MoKα","","0.0773","0.0483","","","0.0967","0.1058","","","","","","1.026","","","","has coordinates","194064","2020-10-21","18:00:00",""
"4032366","10.113","0.005","10.722","0.005","13.199","0.005","106.582","0.005","110.145","0.005","90.019","0.005","1280","1","114","3","114","3","","","","","","","","6","P -1","-P 1","2","","","","- C32 H26 Fe2 N O3 P -","- C32 H26 Fe2 N O3 P -","- C64 H52 Fe4 N2 O6 P2 -","2","1","","Korb, Marcus; Lehrich, Steve W.; Lang, Heinrich","Reactivity of Ferrocenyl Phosphates Bearing (Hetero-)Aromatics and [3]Ferrocenophanes toward Anionic Phospho-Fries Rearrangements","The Journal of Organic Chemistry","2017","","","","","10.1021/acs.joc.7b00030","","","0.71073","MoKα","","0.1001","0.0806","","","0.2336","0.2431","","","","","","1.029","","","","has coordinates,has disorder","194064","2020-10-21","18:00:00",""
"4032367","10.3336","0.0007","12.6046","0.001","13.4915","0.0018","117.494","0.01","95.558","0.008","96.286","0.006","1527.6","0.3","112.8","0.6","112.8","0.6","","","","","","","","7","P -1","-P 1","2","","","","- C33.9 H29.8 Cl1.8 Fe2 N O3 P -","- C33.9 H29.8 Cl1.8 Fe2 N O3 P -","- C67.8 H59.6 Cl3.6 Fe4 N2 O6 P2 -","2","1","","Korb, Marcus; Lehrich, Steve W.; Lang, Heinrich","Reactivity of Ferrocenyl Phosphates Bearing (Hetero-)Aromatics and [3]Ferrocenophanes toward Anionic Phospho-Fries Rearrangements","The Journal of Organic Chemistry","2017","","","","","10.1021/acs.joc.7b00030","","","0.71073","MoKα","","0.0954","0.0777","","","0.2109","0.2253","","","","","","1.053","","","","has coordinates,has disorder","194064","2020-10-21","18:00:00",""
"4032368","51.278","0.008","7.6986","0.0008","10.4339","0.0012","90","","93.689","0.011","90","","4110.4","0.9","115.2","1","115.2","1","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C24 H22 Fe2 N O3 P -","- C24 H22 Fe2 N O3 P -","- C192 H176 Fe16 N8 O24 P8 -","8","1","","Korb, Marcus; Lehrich, Steve W.; Lang, Heinrich","Reactivity of Ferrocenyl Phosphates Bearing (Hetero-)Aromatics and [3]Ferrocenophanes toward Anionic Phospho-Fries Rearrangements","The Journal of Organic Chemistry","2017","","","","","10.1021/acs.joc.7b00030","","","0.71073","MoKα","","0.1382","0.0875","","","0.1851","0.2062","","","","","","1.059","","","","has coordinates","194064","2020-10-21","18:00:00",""
"4032369","14.5249","0.0006","10.2459","0.0005","19.6024","0.0008","90","","107.309","0.004","90","","2785.1","0.2","115","0.1","115","0.1","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C29 H25 Cl3 Fe2 N O3 P -","- C29 H25 Cl3 Fe2 N O3 P -","- C116 H100 Cl12 Fe8 N4 O12 P4 -","4","1","","Korb, Marcus; Lehrich, Steve W.; Lang, Heinrich","Reactivity of Ferrocenyl Phosphates Bearing (Hetero-)Aromatics and [3]Ferrocenophanes toward Anionic Phospho-Fries Rearrangements","The Journal of Organic Chemistry","2017","","","","","10.1021/acs.joc.7b00030","","","0.71073","MoKα","","0.0612","0.0418","","","0.0861","0.0924","","","","","","1.034","","","","has coordinates,has disorder","194064","2020-10-21","18:00:00",""
"4032370","5.9174","0.0014","20.176","0.005","10.449","0.002","90","","104.909","0.003","90","","1205.5","0.5","100","2","100","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C23 H35 N4 O3 P -","- C23 H35 N4 O3 P -","- C46 H70 N8 O6 P2 -","2","1","","Qiao, Shuo; Wilcox, Cody B.; Unruh, Daniel K.; Jiang, Bo; Li, Guigen","Asymmetric [3 + 2] Cycloaddition of Chiral N-Phosphonyl Imines with Methyl Isocyanoacetate for Accessing to 2-Imidazolines with Switchable Stereoselectivity.","The Journal of organic chemistry","2017","","","","","10.1021/acs.joc.6b03068","","","0.71073","MoKα","","0.0589","0.0424","","","0.0897","0.0965","","","","","","1.003","","","","has coordinates","194103","2020-10-21","18:00:00",""
"4032371","7.925","0.0001","16.3937","0.0002","20.889","0.0004","90","","90","","90","","2713.9","0.07","90","2","90","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C30 H46 O7 -","- C30 H46 O7 -","- C120 H184 O28 -","4","1","","Mestre, Jordi; Matheu, M. Isabel; Díaz, Yolanda; Castillón, Sergio; Boutureira, Omar","Chemical Access to d-Sarmentose Units Enables the Total Synthesis of Cardenolide Monoglycoside N-1 from Nerium oleander.","The Journal of organic chemistry","2017","","","","","10.1021/acs.joc.7b00210","","","0.7107","MoKα","","0.0384","0.0341","","","0.0869","0.0888","","","","","","1.043","","","","has coordinates","194104","2020-10-21","18:00:00",""
"4032372","5.1053","0.0003","18.1238","0.0012","12.8535","0.0007","90","","93.383","0.006","90","","1187.23","0.12","292.96","0.15","292.96","0.15","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","2-methoxy-11H-indolo[3,2-c]quinoline","","- C16 H12 N2 O -","- C16 H12 N2 O -","- C64 H48 N8 O4 -","4","1","","Aksenov, Alexander V.; Aksenov, Dmitrii A.; Orazova, Naila A.; Aksenov, Nicolai A.; Griaznov, Georgii D.; De Carvalho, Annelise; Kiss, Robert; Mathieu, Véronique; Kornienko, Alexander; Rubin, Michael","One-Pot, Three-Component Assembly of Indoloquinolines: Total Synthesis of Isocryptolepine.","The Journal of organic chemistry","2017","82","6","3011","3018","10.1021/acs.joc.6b03084","","x-ray","1.54184","CuKα","","0.0527","0.046","","","0.1238","0.1334","","","","","","1.089","","","","has coordinates","194855","2020-10-21","18:00:00",""
"4032373","20.00573","0.00015","20.00573","0.00015","13.20742","0.00018","90","","90","","90","","5286","0.09","100","0.1","100","0.1","","","","","","","","4","I 41 c d","I 4bw -2c","110","","2,3-dimethoxy-11H-indolo[3,2-c]quinoline","","- C17 H14 N2 O2 -","- C17 H14 N2 O2 -","- C272 H224 N32 O32 -","16","1","","Aksenov, Alexander V.; Aksenov, Dmitrii A.; Orazova, Naila A.; Aksenov, Nicolai A.; Griaznov, Georgii D.; De Carvalho, Annelise; Kiss, Robert; Mathieu, Véronique; Kornienko, Alexander; Rubin, Michael","One-Pot, Three-Component Assembly of Indoloquinolines: Total Synthesis of Isocryptolepine.","The Journal of organic chemistry","2017","82","6","3011","3018","10.1021/acs.joc.6b03084","","x-ray","1.54184","CuKα","","0.0369","0.0346","","","0.087","0.0878","","","","","","1.062","","","","has coordinates","194855","2020-10-21","18:00:00",""
"4032374","8.4252","0.0003","9.1913","0.0004","17.9879","0.0006","90","","90","","90","","1392.96","0.09","173","2","173","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C15 H20 N2 O2 -","- C15 H20 N2 O2 -","- C60 H80 N8 O8 -","4","1","","Regenass, Pierre; Bosc, Damien; Riché, Stéphanie; Gizzi, Patrick; Hibert, Marcel; Karmazin, Lydia; Ganesan, A.; Bonnet, Dominique","Comparative Study of the Synthesis and Structural and Physicochemical Properties of Diketopiperazines vs Aza-diketopiperazines.","The Journal of organic chemistry","2017","","","","","10.1021/acs.joc.6b02895","","","0.71073","MoKα","","0.0566","0.041","","","0.0881","0.0946","","","","","","1.043","","","","has coordinates","194132","2020-10-21","18:00:00",""
"4032375","8.1197","0.0002","9.1768","0.0003","18.1454","0.0005","90","","90","","90","","1352.07","0.07","173","2","173","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C14 H19 N3 O2 -","- C14 H19 N3 O2 -","- C56 H76 N12 O8 -","4","1","","Regenass, Pierre; Bosc, Damien; Riché, Stéphanie; Gizzi, Patrick; Hibert, Marcel; Karmazin, Lydia; Ganesan, A.; Bonnet, Dominique","Comparative Study of the Synthesis and Structural and Physicochemical Properties of Diketopiperazines vs Aza-diketopiperazines.","The Journal of organic chemistry","2017","","","","","10.1021/acs.joc.6b02895","","","0.71073","MoKα","","0.0457","0.0363","","","0.0813","0.0851","","","","","","1.097","","","","has coordinates","194133","2020-10-21","18:00:00",""
"4032376","11.1054","0.0005","12.9232","0.0007","14.2178","0.0009","107.242","0.002","100.964","0.001","98.286","0.002","1868.98","0.18","296","2","296","2","","","","","","","","4","P -1","-P 1","2","","","","- C25 H19 N O -","- C25 H19 N O -","- C100 H76 N4 O4 -","4","2","","Xu, Jianfeng; Luo, Yi; Xu, Huaping; Chen, Zhengkai; Miao, Maozhong; Ren, Hongjun","Catalyst-Controlled Chemodivergent Modification of Indoles with 2-Furylcarbinols: Piancatelli Reaction vs Cross-Dehydrative Coupling Reaction.","The Journal of organic chemistry","2017","82","7","3561","3570","10.1021/acs.joc.7b00090","","","0.71073","MoKα","","0.0926","0.0483","","","0.1232","0.1638","","","","","","1.002","","","","has coordinates","196156","2020-10-21","18:00:00",""
"4032377","8.6464","0.0005","5.6834","0.0003","12.7817","0.0007","90","","99.604","0.001","90","","619.3","0.06","150","2","150","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C15 H10 F3 N O2 -","- C15 H10 F3 N O2 -","- C30 H20 F6 N2 O4 -","2","1","","Liang, Dongdong; Yu, Wenbo; Nguyen, Nam; Deschamps, Jeffrey R.; Imler, Gregory H.; Li, Yue; MacKerell, Jr, Alexander D; Jiang, Chao; Xue, Fengtian","Iodobenzene-Catalyzed Synthesis of Phenanthridinones via Oxidative C-H Amidation.","The Journal of organic chemistry","2017","82","7","3589","3596","10.1021/acs.joc.7b00106","","","1.54178","CuKα","","0.0333","0.0333","","","0.0918","0.0919","","","","","","1.073","","","","has coordinates","196146","2020-10-21","18:00:00",""
"4032378","4.2186","0.0009","9.333","0.002","13.852","0.003","90","","93.134","0.004","90","","544.6","0.2","150","2","150","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C14 H10 F N O2 -","- C14 H10 F N O2 -","- C28 H20 F2 N2 O4 -","2","1","","Liang, Dongdong; Yu, Wenbo; Nguyen, Nam; Deschamps, Jeffrey R.; Imler, Gregory H.; Li, Yue; MacKerell, Jr, Alexander D; Jiang, Chao; Xue, Fengtian","Iodobenzene-Catalyzed Synthesis of Phenanthridinones via Oxidative C-H Amidation.","The Journal of organic chemistry","2017","82","7","3589","3596","10.1021/acs.joc.7b00106","","","0.71073","MoKα","","0.0497","0.0346","","","0.0712","0.0769","","","","","","1.059","","","","has coordinates","196146","2020-10-21","18:00:00",""
"4032379","8.0964","0.0011","23.977","0.003","7.0192","0.0008","90","","114.33","0.007","90","","1241.6","0.3","150","2","150","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C15 H10 F3 N O2 -","- C15 H10 F3 N O2 -","- C60 H40 F12 N4 O8 -","4","1","","Liang, Dongdong; Yu, Wenbo; Nguyen, Nam; Deschamps, Jeffrey R.; Imler, Gregory H.; Li, Yue; MacKerell, Jr, Alexander D; Jiang, Chao; Xue, Fengtian","Iodobenzene-Catalyzed Synthesis of Phenanthridinones via Oxidative C-H Amidation.","The Journal of organic chemistry","2017","82","7","3589","3596","10.1021/acs.joc.7b00106","","","1.54178","CuKα","","0.1464","0.0819","","","0.212","0.2546","","","","","","1.033","","","","has coordinates","196146","2020-10-21","18:00:00",""
"4032380","6.0667","0.0005","15.3771","0.0013","13.1958","0.0011","90","","93.36","0.003","90","","1228.9","0.18","150","2","150","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C14 H9.43 Cl1.58 N O2 -","- C14 H9.425 Cl1.575 N O2 -","- C56 H37.7 Cl6.3 N4 O8 -","4","1","","Liang, Dongdong; Yu, Wenbo; Nguyen, Nam; Deschamps, Jeffrey R.; Imler, Gregory H.; Li, Yue; MacKerell, Jr, Alexander D; Jiang, Chao; Xue, Fengtian","Iodobenzene-Catalyzed Synthesis of Phenanthridinones via Oxidative C-H Amidation.","The Journal of organic chemistry","2017","82","7","3589","3596","10.1021/acs.joc.7b00106","","","0.71073","MoKα","","0.0975","0.0622","","","0.1241","0.1343","","","","","","1.189","","","","has coordinates,has disorder","196146","2020-10-21","18:00:00",""
"4032381","14.0387","0.001","5.751","0.0004","16.2336","0.0011","90","","98.473","0.005","90","","1296.34","0.16","90","0.5","90","0.5","","","","","","","","8","P 1 21 1","P 2yb","4","","","","- C27 H15 B Br2 Cl2 F2 N2 O3 -","- C27 H15 B Br2 Cl2 F2 N2 O3 -","- C54 H30 B2 Br4 Cl4 F4 N4 O6 -","2","1","","Zhao, Ning; Xuan, Sunting; Fronczek, Frank R.; Smith, Kevin M.; Vicente, M Graça H","Enhanced Hypsochromic Shifts, Quantum Yield, and π-π Interactions in a meso,β-Heteroaryl-Fused BODIPY.","The Journal of organic chemistry","2017","82","7","3880","3885","10.1021/acs.joc.6b02981","","","1.54184","CuKα","","0.1175","0.1002","","","0.2457","0.2689","","","","","","1.1","","","","has coordinates","196157","2020-10-21","18:00:00",""
"4032382","10.0033","0.0009","10.2945","0.0009","10.8914","0.001","115.154","0.002","111.867","0.002","93.784","0.002","907.97","0.14","90","0.5","90","0.5","","","","","","","","8","P -1","-P 1","2","","","","- C15 H5 B Br2 Cl4 F2 N2 O -","- C15 H5 B Br2 Cl4 F2 N2 O -","- C30 H10 B2 Br4 Cl8 F4 N4 O2 -","2","1","","Zhao, Ning; Xuan, Sunting; Fronczek, Frank R.; Smith, Kevin M.; Vicente, M Graça H","Enhanced Hypsochromic Shifts, Quantum Yield, and π-π Interactions in a meso,β-Heteroaryl-Fused BODIPY.","The Journal of organic chemistry","2017","82","7","3880","3885","10.1021/acs.joc.6b02981","","","0.71073","MoKα","","0.0368","0.0277","","","0.0704","0.0746","","","","","","1.033","","","","has coordinates","196157","2020-10-21","18:00:00",""
"4032383","11.1478","0.0012","15.0675","0.0013","10.0871","0.0011","90","","109.154","0.003","90","","1600.5","0.3","120","2","120","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C22 H18 O -","- C22 H18 O -","- C88 H72 O4 -","4","1","","Rehan, Mohammad; Nallagonda, Rajender; Das, Braja Gopal; Meena, Tannu; Ghorai, Prasanta","Synthesis of Functionalized Benzo[b]furans via Oxidative Cyclization of o-Cinnamyl Phenols.","The Journal of organic chemistry","2017","","","","","10.1021/acs.joc.6b02752","","","0.71073","MoKα","","0.1056","0.0565","","","0.1421","0.168","","","","","","1.029","","","","has coordinates","194236","2020-10-21","18:00:00",""
"4032384","19.5031","0.0003","16.6971","0.0002","20.1118","0.0003","90","","109.923","0.0018","90","","6157.33","0.17","293","","293","","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C36 H32 N2 O6 -","- C36 H32 N2 O6 -","- C288 H256 N16 O48 -","8","1","","Naidu, Gonna Somu; Singh, Rekha; Kumar, Mukesh; Ghosh, Sunil K.","Tuning the Stability and the Reactivity of Substituted [3]Dendralenes for Quick Access to Diverse Copiously Functionalized Fused Polycycles with Step and Atom Economy.","The Journal of organic chemistry","2017","82","7","3648","3658","10.1021/acs.joc.7b00169","","x-ray","1.54184","CuKα","","0.1125","0.0855","","","0.2583","0.2693","","","","","","1.147","","","","has coordinates","196152","2020-10-21","18:00:00",""
"4032385","15.9993","0.0007","10.8867","0.0005","16.1051","0.0009","90","","114.97","0.006","90","","2543","0.2","293","","293","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C26 H27 Br N2 O6 -","- C26 H27 Br N2 O6 -","- C104 H108 Br4 N8 O24 -","4","1","","Naidu, Gonna Somu; Singh, Rekha; Kumar, Mukesh; Ghosh, Sunil K.","Tuning the Stability and the Reactivity of Substituted [3]Dendralenes for Quick Access to Diverse Copiously Functionalized Fused Polycycles with Step and Atom Economy.","The Journal of organic chemistry","2017","82","7","3648","3658","10.1021/acs.joc.7b00169","","x-ray","1.54184","CuKα","","0.0874","0.0598","","","0.1557","0.1828","","","","","","1.033","","","","has coordinates","196152","2020-10-21","18:00:00",""
"4032386","16.7281","0.0004","10.2986","0.00017","16.3055","0.0004","90","","116.342","0.003","90","","2517.36","0.12","293","2","293","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C27 H27 N3 O6 -","- C27 H27 N3 O6 -","- C108 H108 N12 O24 -","4","1","","Naidu, Gonna Somu; Singh, Rekha; Kumar, Mukesh; Ghosh, Sunil K.","Tuning the Stability and the Reactivity of Substituted [3]Dendralenes for Quick Access to Diverse Copiously Functionalized Fused Polycycles with Step and Atom Economy.","The Journal of organic chemistry","2017","82","7","3648","3658","10.1021/acs.joc.7b00169","","x-ray","1.54184","CuKα","","0.0723","0.0552","","","0.1552","0.1729","","","","","","1.069","","","","has coordinates","196152","2020-10-21","18:00:00",""
"4032387","12.5019","0.0014","21.1909","0.0018","10.0757","0.0015","90","","95.255","0.013","90","","2658.1","0.5","293","","293","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C30 H28 N2 O6 -","- C30 H28 N2 O6 -","- C120 H112 N8 O24 -","4","1","","Naidu, Gonna Somu; Singh, Rekha; Kumar, Mukesh; Ghosh, Sunil K.","Tuning the Stability and the Reactivity of Substituted [3]Dendralenes for Quick Access to Diverse Copiously Functionalized Fused Polycycles with Step and Atom Economy.","The Journal of organic chemistry","2017","82","7","3648","3658","10.1021/acs.joc.7b00169","","x-ray","1.54184","CuKα","","0.1563","0.1024","","","0.3016","0.3586","","","","","","1.043","","","","has coordinates","196152","2020-10-21","18:00:00",""
"4032388","11.2044","0.0007","11.5815","0.0006","12.9947","0.0008","75.244","0.005","88.54","0.005","67.453","0.005","1501.06","0.17","293","","293","","","","","","","","","4","P -1","-P 1","2","","","","- C34 H32 N4 O4 -","- C34 H32 N4 O4 -","- C68 H64 N8 O8 -","2","1","","Naidu, Gonna Somu; Singh, Rekha; Kumar, Mukesh; Ghosh, Sunil K.","Tuning the Stability and the Reactivity of Substituted [3]Dendralenes for Quick Access to Diverse Copiously Functionalized Fused Polycycles with Step and Atom Economy.","The Journal of organic chemistry","2017","82","7","3648","3658","10.1021/acs.joc.7b00169","","x-ray","1.54184","CuKα","","0.1073","0.0883","","","0.2712","0.2972","","","","","","1.099","","","","has coordinates,has disorder","196152","2020-10-21","18:00:00",""
"4032389","19.1282","0.0004","12.24","0.0002","25.3264","0.0005","90","","97.9603","0.0018","90","","5872.5","0.2","293","","293","","","","","","","","","4","I 1 2/a 1","-I 2ya","15","","","","- C34 H32 N4 O4 -","- C34 H32 N4 O4 -","- C272 H256 N32 O32 -","8","1","","Naidu, Gonna Somu; Singh, Rekha; Kumar, Mukesh; Ghosh, Sunil K.","Tuning the Stability and the Reactivity of Substituted [3]Dendralenes for Quick Access to Diverse Copiously Functionalized Fused Polycycles with Step and Atom Economy.","The Journal of organic chemistry","2017","82","7","3648","3658","10.1021/acs.joc.7b00169","","x-ray","1.54184","CuKα","","0.0556","0.048","","","0.1302","0.1401","","","","","","1.046","","","","has coordinates","196152","2020-10-21","18:00:00",""
"4032390","10.7283","0.0003","11.4578","0.0004","14.3942","0.0003","97.385","0.002","97.614","0.002","113.028","0.003","1582.16","0.09","293","2","293","2","","","","","","","","4","P -1","-P 1","2","","","","- C35 H35 N3 O6 -","- C35 H35 N3 O6 -","- C70 H70 N6 O12 -","2","1","","Naidu, Gonna Somu; Singh, Rekha; Kumar, Mukesh; Ghosh, Sunil K.","Tuning the Stability and the Reactivity of Substituted [3]Dendralenes for Quick Access to Diverse Copiously Functionalized Fused Polycycles with Step and Atom Economy.","The Journal of organic chemistry","2017","82","7","3648","3658","10.1021/acs.joc.7b00169","","x-ray","1.54184","CuKα","","0.0637","0.0546","","","0.1443","0.1532","","","","","","1.044","","","","has coordinates","196152","2020-10-21","18:00:00",""
"4032391","10.9903","0.0019","17.558","0.003","19.758","0.004","99.562","0.003","105.779","0.003","107.217","0.003","3376.1","1.1","90","2","90","2","","","","","","","","5","P -1","-P 1","2","Sc3N@C80-NHC-2a","","","- C109.5 H36 N3 S5 Sc3 -","- C109.5 H36 N3 S5 Sc3 -","- C219 H72 N6 S10 Sc6 -","2","1","","Chen, Muqing; Shen, Wangqiang; Peng, Ping; Bao, Lipiao; Zhao, Shasha; Xie, Yunpeng; Jin, Peng; Fang, Hongyun; Li, Fang-Fang; Lu, Xing","Evidence of Oxygen Activation in the Reaction between an N-Heterocyclic Carbene and M3N@Ih(7)-C80: An Unexpected Method of Steric Hindrance Release.","The Journal of organic chemistry","2017","82","7","3500","3505","10.1021/acs.joc.6b03004","","","0.71073","MoKα","","0.1272","0.0784","","","0.205","0.2401","","","","","","1.046","","","","has coordinates","259535","2020-12-04","06:05:01",""
"4032392","11.028","0.005","17.708","0.005","19.684","0.005","99.143","0.005","106.102","0.005","106.977","0.005","3410","2","173","2","173","2","","","","","","","","6","P -1","-P 1","2","Lu3N@IhC80 NHC","Lu3N@IhC80 NHC","","- C219 H72 Lu6 N6 O0 S10 -","- C219 H72 Lu5.999 N6 S10 -","- C219 H72 Lu5.999 N6 S10 -","1","0.5","","Chen, Muqing; Shen, Wangqiang; Peng, Ping; Bao, Lipiao; Zhao, Shasha; Xie, Yunpeng; Jin, Peng; Fang, Hongyun; Li, Fang-Fang; Lu, Xing","Evidence of Oxygen Activation in the Reaction between an N-Heterocyclic Carbene and M3N@Ih(7)-C80: An Unexpected Method of Steric Hindrance Release.","The Journal of organic chemistry","2017","82","7","3500","3505","10.1021/acs.joc.6b03004","","","0.71069","MoKα","","0.0681","0.0529","","","0.1301","0.1395","","","","","","1.091","","","","has coordinates,has disorder","196155","2020-10-21","18:00:00",""
"4032393","21.533","0.004","30.738","0.006","11.627","0.002","90","","90","","90","","7696","2","296","2","296","2","","","","","","","","3","F d d 2","F 2 -2d","43","","","","- C21 H24 O7 -","- C21 H24 O7 -","- C336 H384 O112 -","16","1","","Liang, Xuefeng; Zhou, Liyan; Min, Long; Ye, Weijian; Bao, Wenli; Ma, Wenjing; Yang, Qianqian; Qiao, Fangfang; Zhang, Xinhao; Lee, Chi-Sing","Diastereoselective Total Synthesis of (±)-Basiliolide B and (±)-epi-8-Basiliolide B.","The Journal of organic chemistry","2017","","","","","10.1021/acs.joc.6b02921","","","0.71073","MoKα","","0.0487","0.0361","","","0.0798","0.086","","","","","","1.02","","","","has coordinates","194272","2020-10-21","18:00:00",""
"4032394","10.1003","0.0002","22.3395","0.0004","13.9474","0.001","90","","90.142","0.006","90","","3147","0.2","295","2","295","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C17 H22 O4 -","- C17 H22 O4 -","- C136 H176 O32 -","8","2","","Liang, Xuefeng; Zhou, Liyan; Min, Long; Ye, Weijian; Bao, Wenli; Ma, Wenjing; Yang, Qianqian; Qiao, Fangfang; Zhang, Xinhao; Lee, Chi-Sing","Diastereoselective Total Synthesis of (±)-Basiliolide B and (±)-epi-8-Basiliolide B.","The Journal of organic chemistry","2017","","","","","10.1021/acs.joc.6b02921","","","1.54178","CuKα","","0.0851","0.0679","","","0.1871","0.2146","","","","","","1.134","","","","has coordinates","194272","2020-10-21","18:00:00",""
"4032395","8.6678","0.0017","19.551","0.003","9.4202","0.0017","90","","111.01","0.003","90","","1490.3","0.5","100","2","100","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C17 H20 O4 -","- C17 H20 O4 -","- C68 H80 O16 -","4","1","","Cooper, Dennis A.; Robbins, Emma; Tizzard, Graham J.; Coles, Simon J.; O'Brien, Matthew","Furanyl Cyclic Ethers: Single and Double Diastereoselectivity in the Synthesis of 2,4-Di and 2,4,5-Trisubstituted Tetrahydropyrans.","The Journal of organic chemistry","2017","82","7","3441","3455","10.1021/acs.joc.6b02831","","x-ray","0.71075","MoKα","","0.0499","0.0417","","","0.1106","0.1156","","","","","","1.053","","","","has coordinates","196150","2020-10-21","18:00:00",""
"4032396","17.481","0.006","7.27","0.002","14.959","0.004","90","","114.17","0.005","90","","1734.4","0.9","100","2","100","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C19 H24 O6 -","- C19 H24 O6 -","- C76 H96 O24 -","4","1","","Cooper, Dennis A.; Robbins, Emma; Tizzard, Graham J.; Coles, Simon J.; O'Brien, Matthew","Furanyl Cyclic Ethers: Single and Double Diastereoselectivity in the Synthesis of 2,4-Di and 2,4,5-Trisubstituted Tetrahydropyrans.","The Journal of organic chemistry","2017","82","7","3441","3455","10.1021/acs.joc.6b02831","","x-ray","0.71075","MoKα","","0.0565","0.0416","","","0.1036","0.112","","","","","","1.026","","","","has coordinates","196150","2020-10-21","18:00:00",""
"4032397","6.9484","0.0011","9.974","0.0015","11.9674","0.0018","80.017","0.006","86.243","0.008","86.393","0.008","813.9","0.2","100","2","100","2","","","","","","","","3","P -1","-P 1","2","","","","- C18 H22 O5 -","- C18 H22 O5 -","- C36 H44 O10 -","2","1","","Cooper, Dennis A.; Robbins, Emma; Tizzard, Graham J.; Coles, Simon J.; O'Brien, Matthew","Furanyl Cyclic Ethers: Single and Double Diastereoselectivity in the Synthesis of 2,4-Di and 2,4,5-Trisubstituted Tetrahydropyrans.","The Journal of organic chemistry","2017","82","7","3441","3455","10.1021/acs.joc.6b02831","","x-ray","0.71075","MoKα","","0.044","0.0388","","","0.1076","0.1114","","","","","","1.122","","","","has coordinates","196150","2020-10-21","18:00:00",""
"4032398","14.243","0.003","8.5982","0.0019","12.723","0.003","90","","105.996","0.003","90","","1497.8","0.6","100","2","100","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C16 H19 Cl O4 -","- C16 H19 Cl O4 -","- C64 H76 Cl4 O16 -","4","1","","Cooper, Dennis A.; Robbins, Emma; Tizzard, Graham J.; Coles, Simon J.; O'Brien, Matthew","Furanyl Cyclic Ethers: Single and Double Diastereoselectivity in the Synthesis of 2,4-Di and 2,4,5-Trisubstituted Tetrahydropyrans.","The Journal of organic chemistry","2017","82","7","3441","3455","10.1021/acs.joc.6b02831","","x-ray","0.71075","MoKα","","0.0539","0.0438","","","0.1167","0.1238","","","","","","1.041","","","","has coordinates","196150","2020-10-21","18:00:00",""
"4032399","5.212","0.0004","7.438","0.0005","14.3549","0.0009","80.834","0.006","85.227","0.006","74.865","0.006","529.83","0.07","120","2","120","2","","","","","","","","4","P -1","-P 1","2","","","","- C12 H12 F2 O3 -","- C12 H12 F2 O3 -","- C24 H24 F4 O6 -","2","1","","Maier, Lukáš; Khirsariya, Prashant; Hylse, Ondřej; Adla, Santosh Kumar; Černová, Lenka; Poljak, Michal; Krajčovičová, Soňa; Weis, Erik; Drápela, Stanislav; Souček, Karel; Paruch, Kamil","Diastereoselective Flexible Synthesis of Carbocyclic C-Nucleosides.","The Journal of organic chemistry","2017","82","7","3382","3402","10.1021/acs.joc.6b02594","","","0.71073","MoKα","","0.0625","0.0593","","","0.1636","0.1691","","","","","","1.088","","","","has coordinates,has disorder","196154","2020-10-21","18:00:00",""
"4032400","9.8445","0.0004","6.9522","0.0003","30.4659","0.0012","90","","90","","90","","2085.11","0.15","120","2","120","2","","","","","","","","3","P b c a","-P 2ac 2ab","61","","","","- C12 H16 O3 -","- C12 H16 O3 -","- C96 H128 O24 -","8","1","","Maier, Lukáš; Khirsariya, Prashant; Hylse, Ondřej; Adla, Santosh Kumar; Černová, Lenka; Poljak, Michal; Krajčovičová, Soňa; Weis, Erik; Drápela, Stanislav; Souček, Karel; Paruch, Kamil","Diastereoselective Flexible Synthesis of Carbocyclic C-Nucleosides.","The Journal of organic chemistry","2017","82","7","3382","3402","10.1021/acs.joc.6b02594","","","0.71075","MolybdenumKα","","0.0342","0.0331","","","0.0835","0.0844","","","","","","1.065","","","","has coordinates","196154","2020-10-21","18:00:00",""
"4032401","7.2069","0.0004","7.742","0.0003","9.5826","0.0004","80.466","0.004","79.403","0.004","77.127","0.004","507.99","0.04","120","2","120","2","","","","","","","","4","P -1","-P 1","2","","","","- C10 H16 N2 O3 -","- C10 H16 N2 O3 -","- C20 H32 N4 O6 -","2","1","","Maier, Lukáš; Khirsariya, Prashant; Hylse, Ondřej; Adla, Santosh Kumar; Černová, Lenka; Poljak, Michal; Krajčovičová, Soňa; Weis, Erik; Drápela, Stanislav; Souček, Karel; Paruch, Kamil","Diastereoselective Flexible Synthesis of Carbocyclic C-Nucleosides.","The Journal of organic chemistry","2017","82","7","3382","3402","10.1021/acs.joc.6b02594","","","0.71075","MolybdenumKα","","0.0455","0.0409","","","0.0995","0.1027","","","","","","1.035","","","","has coordinates","196154","2020-10-21","18:00:00",""
"4032402","4.5638","0.001","7.0494","0.0016","15.476","0.004","95.825","0.005","95.748","0.005","99.306","0.006","485.3","0.2","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","","","- C10 H8 N2 O2 S -","- C10 H8 N2 O2 S -","- C20 H16 N4 O4 S2 -","2","1","","McCaw, Patrick G.; Buckley, Naomi M.; Eccles, Kevin S.; Lawrence, Simon E.; Maguire, Anita R.; Collins, Stuart G.","Synthesis of Cyclic α-Diazo-β-keto Sulfoxides in Batch and Continuous Flow.","The Journal of organic chemistry","2017","82","7","3666","3679","10.1021/acs.joc.7b00172","","","0.71073","MoKα","","0.046","0.0386","","","0.1063","0.1131","","","","","","1.043","","","","has coordinates","196149","2020-10-21","18:00:00",""
"4032403","6.1447","0.0009","15.0655","0.0019","17.331","0.002","90","","97.341","0.011","90","","1591.2","0.4","293","2","293","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C21 H14 N2 S -","- C21 H14 N2 S -","- C84 H56 N8 S4 -","4","1","","Shen, Guodong; Yang, Bingchuan; Huang, Xianqiang; Hou, Yaxin; Gao, Huan; Cui, Jichun; Cui, Chuansheng; Zhang, Tongxin","Copper- and Palladium-Catalyzed Cross-Coupling Reactions for the Synthesis of N-Fused Benzo[4,5]imidazo[2,1-b]thiazole Derivatives via Substituted trans-1,2-Diiodoalkenes, 1H-Benzo[d]imidazole-2-thiols, and Halobenzenes.","The Journal of organic chemistry","2017","82","7","3798","3805","10.1021/acs.joc.7b00162","","","0.71073","MoKα","","0.1545","0.0642","","","0.1535","0.2217","","","","","","0.955","","","","has coordinates","196151","2020-10-21","18:00:00",""
"4032404","14.0787","0.0013","16.1044","0.0014","14.3694","0.0012","90","","94.455","0.001","90","","3248.1","0.5","298","2","298","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C35 H35 Br N2 O7 -","- C35 H35 Br N2 O7 -","- C140 H140 Br4 N8 O28 -","4","1","","Wang, Lu; Shi, Li-Xia; Liu, Lu; Li, Zhuo-Xuan; Xu, Ting; Hao, Wen-Juan; Li, Guigen; Tu, Shu-Jiang; Jiang, Bo","Synthesis of Diastereoenriched Oxazolo[5,4-b]indoles via Catalyst-Free Multicomponent Bicyclizations.","The Journal of organic chemistry","2017","82","7","3605","3611","10.1021/acs.joc.7b00129","","","0.71073","MoKα","","0.1438","0.0563","","","0.1219","0.1617","","","","","","1.018","","","","has coordinates","196153","2020-10-21","18:00:00",""
"4032405","9.4413","0.0019","11.46","0.002","20.235","0.004","90","","90","","90","","2189.4","0.7","293","2","293","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C24 H29 N3 O2 -","- C24 H29 N3 O2 -","- C96 H116 N12 O8 -","4","1","","Peng, Jianwen; Gao, Yang; Zhu, Chuanle; Liu, Bifu; Gao, Yinglan; Hu, Miao; Wu, Wanqing; Jiang, Huanfeng","Synthesis of Polysubstituted 3-Amino Pyrroles via Palladium-Catalyzed Multicomponent Reaction.","The Journal of organic chemistry","2017","","","","","10.1021/acs.joc.7b00098","","","0.71073","MoKα","","0.0965","0.0605","","","0.1382","0.154","","","","","","1.0226","","","","has coordinates","278046","2022-09-21","15:45:40",""
"4032406","9.1195","0.0006","27.0857","0.0019","8.3832","0.0006","90","","101.196","0.002","90","","2031.3","0.2","100","2","100","2","","","","","","","","5","P 1 21/a 1","-P 2yab","14","","","","- C22 H17 N3 O5 S2 -","- C22 H17 N3 O5 S2 -","- C88 H68 N12 O20 S8 -","4","1","","Das, Debapratim; Poddar, Puja; Maity, Saurabh; Samanta, Rajarshi","Rhodium(III)-Catalyzed C6-Selective Arylation of 2-Pyridones and Related Heterocycles Using Quinone Diazides: Syntheses of Heteroarylated Phenols.","The Journal of organic chemistry","2017","82","7","3612","3621","10.1021/acs.joc.7b00135","","","0.71073","MoKα","","0.0574","0.0415","","","0.1037","0.1125","","","","","","1.046","","","","has coordinates","196158","2020-10-21","18:00:00",""
"4032407","7.03801","0.00006","16.8278","0.0001","25.192","0.0002","90","","92.2063","0.0006","90","","2981.38","0.04","100","2","100","2","","","","","","","","3","P 1 21 1","P 2yb","4","","","","- C18 H18 O4 -","- C18 H18 O4 -","- C144 H144 O32 -","8","4","","Kingston, Cian; Guiry, Patrick J.","Enantiodivergent Synthesis of Tertiary α-Aryl 1-Indanones: Evidence Toward Disparate Mechanisms in the Palladium-Catalyzed Decarboxylative Asymmetric Protonation","The Journal of Organic Chemistry","2017","","","","","10.1021/acs.joc.7b00303","","","1.54184","CuKα","","0.0568","0.0565","","","0.1512","0.1516","","","","","","1.044","","","","has coordinates,has disorder","194551","2020-10-21","18:00:00",""
"4032408","11.8","0.002","12.63","0.003","13.63","0.003","68.074","0.006","70.491","0.006","81.465","0.006","1775.6","0.7","296","2","296","2","","","","","","","","5","P -1","-P 1","2","","","","- C28 H32 Br2 N4 O6 -","- C28 H32 Br2 N4 O6 -","- C56 H64 Br4 N8 O12 -","2","1","","Wang, Chao-Ming; Xia, Peng-Ju; Xiao, Jun-An; Li, Jun; Xiang, Hao-Yue; Chen, Xiao-Qing; Yang, Hua","Photoredox-Catalyzed Reductive Dimerization of Isatins and Isatin-Derived Ketimines: Diastereoselective Construction of 3,3'-Disubstituted Bisoxindoles.","The Journal of organic chemistry","2017","82","7","3895","3900","10.1021/acs.joc.6b03056","","","0.71073","MoKα","","0.0667","0.0487","","","0.1312","0.1378","","","","","","1.08","","","","has coordinates","258458","2020-10-21","18:00:00",""
"4032409","11.313","0.003","11.4","0.003","16.467","0.005","99.471","0.011","95.525","0.012","114.446","0.011","1874.8","0.9","296","2","296","2","","","","","","","","4","P -1","-P 1","2","","","","- C40 H42 N4 O6 -","- C40 H42 N4 O6 -","- C80 H84 N8 O12 -","2","1","","Wang, Chao-Ming; Xia, Peng-Ju; Xiao, Jun-An; Li, Jun; Xiang, Hao-Yue; Chen, Xiao-Qing; Yang, Hua","Photoredox-Catalyzed Reductive Dimerization of Isatins and Isatin-Derived Ketimines: Diastereoselective Construction of 3,3'-Disubstituted Bisoxindoles.","The Journal of organic chemistry","2017","82","7","3895","3900","10.1021/acs.joc.6b03056","","","0.71073","MoKα","","0.0534","0.0431","","","0.1159","0.1245","","","","","","1.078","","","","has coordinates","258458","2020-10-21","18:00:00",""
"4032410","8.5909","0.0006","9.3471","0.0007","16.4167","0.0014","74.516","0.005","85.903","0.005","66.308","0.004","1162.38","0.16","296","2","296","2","","","","","","","","4","P -1","-P 1","2","","","","- C60 H48 N4 O8 -","- C60 H48 N4 O8 -","- C60 H48 N4 O8 -","1","0.5","","Wang, Chao-Ming; Xia, Peng-Ju; Xiao, Jun-An; Li, Jun; Xiang, Hao-Yue; Chen, Xiao-Qing; Yang, Hua","Photoredox-Catalyzed Reductive Dimerization of Isatins and Isatin-Derived Ketimines: Diastereoselective Construction of 3,3'-Disubstituted Bisoxindoles.","The Journal of organic chemistry","2017","82","7","3895","3900","10.1021/acs.joc.6b03056","","","0.71073","MoKα","","0.1125","0.0967","","","0.2435","0.2582","","","","","","1.007","","","","has coordinates","196147","2020-10-21","18:00:00",""
"4032411","12.2622","0.001","16.123","0.0014","10.5218","0.0008","90","","97.12","0.008","90","","2064.2","0.3","293","2","293","2","","","","","","","synthesis","3","P 1 21/c 1","-P 2ybc","14","","unk","","- C23 H22 O6 -","- C23 H22 O6 -","- C92 H88 O24 -","4","1","","Mondal, Keshab; Pan, Subhas Chandra","Synthesis of 2,5-Disubstituted Furans from Sc(OTf)3 Catalyzed Reaction of Aryl Oxiranediesters with γ-Hydroxyenones.","The Journal of organic chemistry","2017","82","8","4415","4421","10.1021/acs.joc.7b00133","","x-ray","0.71073","MoKα","","0.1038","0.0587","","","0.1353","0.1671","","","","","","1.056","","","","has coordinates","196145","2020-10-21","18:00:00",""
"4032412","10.3094","0.0016","14.455","0.002","17.511","0.003","90","","104.905","0.004","90","","2521.7","0.7","296","2","296","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C32 H24 N2 O4 -","- C32 H24 N2 O4 -","- C128 H96 N8 O16 -","4","1","","Cao, Jing; Dong, Shuding; Jiang, Delu; Zhu, Peiyu; Zhang, Han; Li, Rui; Li, Zhanyi; Wang, Xuanyu; Tang, Weifang; Du, Ding","β-Functionalization of Indolin-2-one-Derived Aliphatic Acids for the Divergent Synthesis of Spirooxindole γ-Butyrolactones.","The Journal of organic chemistry","2017","","","","","10.1021/acs.joc.7b00153","","","0.71073","MoKα","","0.107","0.0511","","","0.1296","0.1649","","","","","","0.941","","","","has coordinates","194642","2020-10-21","18:00:00",""
"4032413","8.679","0.006","11.875","0.008","12.649","0.008","106.234","0.01","109.319","0.01","104.799","0.01","1090.6","1.3","296","2","296.15","","","","","","","","","4","P -1","-P 1","2","","","","- C26 H22 N2 O4 -","- C26 H22 N2 O4 -","- C52 H44 N4 O8 -","2","1","","Wu, Fu-Song; Zhao, Hai-Yuan; Xu, Yan-Li; Hu, Kun; Pan, Ying-Ming; Ma, Xian-Li","Catalyst-free Synthesis of Pyrrolo[1,2-a]quinolines via Dehydration/[3+2] Cycloaddition Directly from 2-Methylquinolines, Aldehydes and Alkynoates.","The Journal of organic chemistry","2017","","","","","10.1021/acs.joc.7b00280","","","0.71073","MoKα","","0.0602","0.0431","","","0.1289","0.1426","","","","","","1.033","","","","has coordinates","194664","2020-10-21","18:00:00",""
"4032414","8.2176","0.0016","9.2644","0.0018","13.11","0.003","99.384","0.003","91.951","0.003","93.602","0.003","981.8","0.4","296","2","296.15","","","","","","","","","5","P -1","-P 1","2","","","","- C23 H17 F4 N O2 -","- C23 H17 F4 N O2 -","- C46 H34 F8 N2 O4 -","2","1","","Wu, Fu-Song; Zhao, Hai-Yuan; Xu, Yan-Li; Hu, Kun; Pan, Ying-Ming; Ma, Xian-Li","Catalyst-free Synthesis of Pyrrolo[1,2-a]quinolines via Dehydration/[3+2] Cycloaddition Directly from 2-Methylquinolines, Aldehydes and Alkynoates.","The Journal of organic chemistry","2017","","","","","10.1021/acs.joc.7b00280","","","0.71073","MoKα","","0.0567","0.0459","","","0.1353","0.1494","","","","","","1.038","","","","has coordinates","194665","2020-10-21","18:00:00",""
"4032415","6.442","0.0001","7.5921","0.0001","21.9422","0.0003","90","","90","","90","","1073.16","0.03","150","","150","","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C14 H13 N O -","- C14 H13 N O -","- C56 H52 N4 O4 -","4","1","","Yan, Qiao; Gin, Emma; Wasinska-Kalwa, Malgorzata; Banwell, Martin G.; Carr, Paul D.","A Palladium-Catalyzed Ullmann Cross-Coupling/Reductive Cyclization Route to the Carbazole Natural Products 3-Methyl-9H-carbazole, Glycoborine, Glycozoline, Clauszoline K, Mukonine, and Karapinchamine A.","The Journal of organic chemistry","2017","82","8","4148","4159","10.1021/acs.joc.7b00044","","","1.54184","CuKα","","0.0364","0.0351","","0.0638","0.0629","0.0638","","","","","","1","","","","has coordinates","196142","2020-10-21","18:00:00",""
"4032416","15.7767","0.0002","9.4629","0.0001","16.1402","0.0002","90","","91.7342","0.0013","90","","2408.52","0.05","150","","150","","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C15 H13 N O3 -","- C15 H13 N O3 -","- C120 H104 N8 O24 -","8","1","","Yan, Qiao; Gin, Emma; Wasinska-Kalwa, Malgorzata; Banwell, Martin G.; Carr, Paul D.","A Palladium-Catalyzed Ullmann Cross-Coupling/Reductive Cyclization Route to the Carbazole Natural Products 3-Methyl-9H-carbazole, Glycoborine, Glycozoline, Clauszoline K, Mukonine, and Karapinchamine A.","The Journal of organic chemistry","2017","82","8","4148","4159","10.1021/acs.joc.7b00044","","","0.71073","MoKα","","0.0466","0.0389","","0.0767","0.0687","0.0767","","","","","","1","","","","has coordinates","196142","2020-10-21","18:00:00",""
"4032417","11.4714","0.0017","5.613","0.0006","16.915","0.002","90","","95.648","0.012","90","","1083.9","0.2","150","","150","","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C14 H13 N O -","- C14 H13 N O -","- C56 H52 N4 O4 -","4","1","","Yan, Qiao; Gin, Emma; Wasinska-Kalwa, Malgorzata; Banwell, Martin G.; Carr, Paul D.","A Palladium-Catalyzed Ullmann Cross-Coupling/Reductive Cyclization Route to the Carbazole Natural Products 3-Methyl-9H-carbazole, Glycoborine, Glycozoline, Clauszoline K, Mukonine, and Karapinchamine A.","The Journal of organic chemistry","2017","82","8","4148","4159","10.1021/acs.joc.7b00044","","","1.54184","CuKα","","0.0698","0.0577","","0.1638","0.1506","0.1638","","","","","","0.9998","","","","has coordinates","196142","2020-10-21","18:00:00",""
"4032418","14.6135","0.0002","5.8504","0.0001","14.6942","0.0002","90","","96.2796","0.0015","90","","1248.74","0.03","150","","150","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C14 H17 N O3 -","- C14 H17 N O3 -","- C56 H68 N4 O12 -","4","1","","Yan, Qiao; Gin, Emma; Wasinska-Kalwa, Malgorzata; Banwell, Martin G.; Carr, Paul D.","A Palladium-Catalyzed Ullmann Cross-Coupling/Reductive Cyclization Route to the Carbazole Natural Products 3-Methyl-9H-carbazole, Glycoborine, Glycozoline, Clauszoline K, Mukonine, and Karapinchamine A.","The Journal of organic chemistry","2017","82","8","4148","4159","10.1021/acs.joc.7b00044","","","1.54184","CuKα","","0.037","0.036","","0.0977","0.0964","0.0977","","","","","","1","","","","has coordinates","196142","2020-10-21","18:00:00",""
"4032419","12.3613","0.0002","13.2672","0.0002","17.5612","0.0003","87.226","0.001","80.444","0.001","73.165","0.001","2718.35","0.08","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C64 H56 Cl5 N3 Pd -","- C64 H56 Cl5 N3 Pd -","- C128 H112 Cl10 N6 Pd2 -","2","1","","Lan, Xiao-Bing; Li, Yinwu; Li, Yan-Fang; Shen, Dong-Sheng; Ke, Zhuofeng; Liu, Feng-Shou","Flexible Steric Bulky Bis(Imino)acenaphthene (BIAN)-Supported N-Heterocyclic Carbene Palladium Precatalysts: Catalytic Application in Buchwald-Hartwig Amination in Air.","The Journal of organic chemistry","2017","82","6","2914","2925","10.1021/acs.joc.6b02867","","","0.71073","MoKα","","0.1262","0.0586","","","0.1202","0.1463","","","","","","0.996","","","","has coordinates","194755","2020-10-21","18:00:00",""
"4032420","13.21","0.0011","26.743","0.002","31.09","0.002","90","","96.562","0.005","90","","10911.4","1.4","296","2","296","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C255 H226 Cl14 N12 Pd4 -","- C255 H226 Cl14 N12 Pd4 -","- C510 H452 Cl28 N24 Pd8 -","2","0.5","","Lan, Xiao-Bing; Li, Yinwu; Li, Yan-Fang; Shen, Dong-Sheng; Ke, Zhuofeng; Liu, Feng-Shou","Flexible Steric Bulky Bis(Imino)acenaphthene (BIAN)-Supported N-Heterocyclic Carbene Palladium Precatalysts: Catalytic Application in Buchwald-Hartwig Amination in Air.","The Journal of organic chemistry","2017","82","6","2914","2925","10.1021/acs.joc.6b02867","","","0.71073","MoKα","","0.184","0.0971","","","0.2473","0.311","","","","","","1.028","","","","has coordinates","194755","2020-10-21","18:00:00",""
"4032421","12.3395","0.0002","13.3565","0.0002","17.8538","0.0003","86.124","0.001","80.077","0.001","72.969","0.001","2770.94","0.08","150","0.1","150","0.1","","","","","","","","6","P -1","-P 1","2","","","","- C64 H56 Cl5 N3 O Pd -","- C64 H56 Cl5 N3 O Pd -","- C128 H112 Cl10 N6 O2 Pd2 -","2","1","","Lan, Xiao-Bing; Li, Yinwu; Li, Yan-Fang; Shen, Dong-Sheng; Ke, Zhuofeng; Liu, Feng-Shou","Flexible Steric Bulky Bis(Imino)acenaphthene (BIAN)-Supported N-Heterocyclic Carbene Palladium Precatalysts: Catalytic Application in Buchwald-Hartwig Amination in Air.","The Journal of organic chemistry","2017","82","6","2914","2925","10.1021/acs.joc.6b02867","","","0.71073","MoKα","","0.0497","0.0421","","","0.1123","0.1201","","","","","","1.019","","","","has coordinates,has disorder","194755","2020-10-21","18:00:00",""
"4032422","19.631","0.0015","12.8061","0.001","23.818","0.002","90","","96.512","0.005","90","","5949.1","0.8","296","2","296.15","","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C63.88 H56.76 Cl3.76 N3 O4 Pd -","- C63.882 H56.764 Cl3.764 N3 O4 Pd -","- C255.528 H227.056 Cl15.056 N12 O16 Pd4 -","4","1","","Lan, Xiao-Bing; Li, Yinwu; Li, Yan-Fang; Shen, Dong-Sheng; Ke, Zhuofeng; Liu, Feng-Shou","Flexible Steric Bulky Bis(Imino)acenaphthene (BIAN)-Supported N-Heterocyclic Carbene Palladium Precatalysts: Catalytic Application in Buchwald-Hartwig Amination in Air.","The Journal of organic chemistry","2017","82","6","2914","2925","10.1021/acs.joc.6b02867","","","0.71073","MoKα","","0.1078","0.0584","","","0.1492","0.179","","","","","","1.016","","","","has coordinates,has disorder","194755","2020-10-21","18:00:00",""
"4032423","53.153","0.006","5.7648","0.0006","26.264","0.003","90","","116.484","0.003","90","","7203.2","1.4","100","2","100","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C24 H19 F O2 -","- C24 H19 F O2 -","- C384 H304 F16 O32 -","16","2","","Chan, Chieh-Kai; Chen, Yu-Hsin; Tsai, Yu-Lin; Chang, Meng-Yang","Synthesis of Substituted 1,6-Diarylnaphthalenes via a Tandem Claisen Rearrangement and Ene Reaction Protocol.","The Journal of organic chemistry","2017","82","6","3317","3326","10.1021/acs.joc.7b00108","","","0.71073","MoKα","","0.0659","0.0414","","","0.088","0.0996","","","","","","1.025","","","","has coordinates","194756","2020-10-21","18:00:00",""
"4032424","9.6023","0.0008","11.2451","0.0009","19.0201","0.0015","90","","90","","90","","2053.8","0.3","100","2","100","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C23 H25 N O4 -","- C23 H25 N O4 -","- C92 H100 N4 O16 -","4","1","","Zhu, Meina; Chen, Jingchao; He, Xiaobo; Gu, Cuiping; Xu, Jianbin; Fan, Baomin","Iridium-Catalyzed Anti-Stereoselective Asymmetric Ring-Opening Reactions of Azabenzonorbornadienes with Carboxylic Acids.","The Journal of organic chemistry","2017","82","6","3167","3172","10.1021/acs.joc.7b00178","","","1.54178","CuKα","","0.0459","0.0458","","","0.1287","0.1289","","","","","","1.057","","","","has coordinates","194757","2020-10-21","18:00:00",""
"4032425","4.438","0.004","10.21","0.01","15.7","0.02","100.87","0.06","95.25","0.05","93.71","0.03","693.3","1.3","100","2","100","2","","","","","","","","4","P -1","-P 1","2","","3-METHYL-1-PHENYL-[1,3]DIOXOLO[4,5,6,7]CHROMENO[2,3-c]PYRAZOL-4(1H)-ONE","","- C18 H12 N2 O4 -","- C18 H12 N2 O4 -","- C36 H24 N4 O8 -","2","1","","Obulesu, Owk; Babu, K. Harish; Nanubolu, Jagadeesh Babu; Suresh, Surisetti","Copper-Catalyzed Tandem O-Arylation-Oxidative Cross Coupling: Synthesis of Chromone Fused Pyrazoles.","The Journal of organic chemistry","2017","82","6","2926","2934","10.1021/acs.joc.6b02890","","","0.71073","MoKα","","0.0524","0.0387","","","0.0946","0.1026","","","","","","1.071","","","","has coordinates","194758","2020-10-21","18:00:00",""
"4032426","7.5018","0.0012","12.743","0.002","13.473","0.002","65.335","0.004","79.309","0.004","86.703","0.004","1149.8","0.3","120","2","120","2","","","","","","","","5","P -1","-P 1","2","","","","- C24 H28 N2 O4 S2 -","- C24 H28 N2 O4 S2 -","- C48 H56 N4 O8 S4 -","2","1","","Suleymanov, Abdusalom A.; Vasilyev, Dmitry V.; Novikov, Valentin V.; Nelyubina, Yulia V.; Perekalin, Dmitry S.","Unpredictable cycloisomerization of 1,11-dien-6-ynes by a common cobalt catalyst","Beilstein Journal of Organic Chemistry","2017","13","","639","","10.3762/bjoc.13.62","","","0.71073","MoKα","","0.1401","0.0822","","","0.1841","0.206","","","","","","1.078","","","","has coordinates","195196","2020-10-21","18:00:00",""
"4032427","9.1158","0.0006","9.4944","0.0007","9.9154","0.0007","61.548","0.001","71.971","0.001","72.698","0.001","705.83","0.09","120","2","120","2","","","","","","","","5","P -1","-P 1","2","","","","- C28 H36 N2 O4 S2 -","- C28 H36 N2 O4 S2 -","- C28 H36 N2 O4 S2 -","1","0.5","","Suleymanov, Abdusalom A.; Vasilyev, Dmitry V.; Novikov, Valentin V.; Nelyubina, Yulia V.; Perekalin, Dmitry S.","Unpredictable cycloisomerization of 1,11-dien-6-ynes by a common cobalt catalyst","Beilstein Journal of Organic Chemistry","2017","13","","639","","10.3762/bjoc.13.62","","","0.71073","MoKα","","0.0529","0.0439","","","0.1036","0.1102","","","","","","1.003","","","","has coordinates","195197","2020-10-21","18:00:00",""
"4032428","10.0324","0.0009","17.4049","0.0012","10.1453","0.0006","90","","101.401","0.007","90","","1736.5","0.2","295","2","295","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C15 H19 N5 O2 S2 -","- C15 H19 N5 O2 S2 -","- C60 H76 N20 O8 S8 -","4","1","","Filimonov, Valeriy O.; Dianova, Lidia N.; Galata, Kristina A.; Beryozkina, Tetyana V.; Novikov, Mikhail S.; Berseneva, Vera S.; Eltsov, Oleg S.; Lebedev, Albert T.; Slepukhin, Pavel A.; Bakulev, Vasiliy A.","Switchable Synthesis of 4,5-Functionalized 1,2,3-Thiadiazoles and 1,2,3-Triazoles from 2-Cyanothioacetamides under Diazo Group Transfer Conditions.","The Journal of organic chemistry","2017","82","8","4056","4071","10.1021/acs.joc.6b02736","","","0.71073","MoKα","","0.0796","0.0389","","","0.0875","0.0927","","","","","","1.012","","","","has coordinates","196141","2020-10-21","18:00:00",""
"4032429","11.449","0.003","9.3485","0.0001","17.637","0.003","90","","108.7","0.004","90","","1788.1","0.6","295","2","295","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C7 H8 N4 O S -","- C7 H8 N4 O S -","- C56 H64 N32 O8 S8 -","8","1","","Filimonov, Valeriy O.; Dianova, Lidia N.; Galata, Kristina A.; Beryozkina, Tetyana V.; Novikov, Mikhail S.; Berseneva, Vera S.; Eltsov, Oleg S.; Lebedev, Albert T.; Slepukhin, Pavel A.; Bakulev, Vasiliy A.","Switchable Synthesis of 4,5-Functionalized 1,2,3-Thiadiazoles and 1,2,3-Triazoles from 2-Cyanothioacetamides under Diazo Group Transfer Conditions.","The Journal of organic chemistry","2017","82","8","4056","4071","10.1021/acs.joc.6b02736","","","0.71073","MoKα","","0.0692","0.0366","","","0.0861","0.0901","","","","","","1","","","","has coordinates","196141","2020-10-21","18:00:00",""
"4032430","25.518","0.001","8.0088","0.0003","23.3552","0.0009","90","","93.9449","0.0012","90","","4761.8","0.3","100","2","100","2","","","","","","","","3","C 1 2/c 1","-C 2yc","15","C32H26O4","","","- C32 H26 O4 -","- C32 H26 O4 -","- C256 H208 O32 -","8","1","","Farajidizaji, Behzad; Huang, Changfeng; Thakellapalli, Haresh; Li, Shuangjiang; Akhmedov, Novruz G.; Popp, Brian V.; Petersen, Jeffrey L.; Wang, Kung K.","Synthesis and Characterization of Functionalized [12]Cycloparaphenylenes Containing Four Alternating Biphenyl and Naphthyl Units.","The Journal of organic chemistry","2017","82","8","4458","4464","10.1021/acs.joc.7b00397","","","0.71073","MoKα","","0.0503","0.0425","","","0.1099","0.1187","","","","","","1.028","","","","has coordinates","196139","2020-10-21","18:00:00",""
"4032431","10.4204","0.0004","16.8718","0.0007","30.1306","0.0012","90","","90","","90","","5297.3","0.4","296","2","296","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C35 H26 N2 O2 -","- C35 H26 N2 O2 -","- C280 H208 N16 O16 -","8","1","","Rao, V. U. Bhaskara; Kumar, Krishna; Das, Tamal; Vanka, Kumar; Singh, Ravi P.","DBU-mediated Diastereoselective Aldol-type Cyanomethylation of Isatins.","The Journal of organic chemistry","2017","","","","","10.1021/acs.joc.7b00512","","","0.71073","MoKα","","0.0619","0.0527","","","0.1103","0.1149","","","","","","1.176","","","","has coordinates","195245","2020-10-21","18:00:00",""
"4032432","10.4901","0.0013","10.6393","0.0012","26.13","0.004","90","","90","","90","","2916.3","0.7","296","2","296","2","","","","","","","","5","I b c a","-I 2b 2c","73","","2-(4-Cyano-2,3,5,6-tetrafluorophenyl)-4,4,5,5-tetramethyl- 4,5-dihydro-1H-imidazol-3-oxide-1-oxyle","","- C14 H12 F4 N3 O2 -","- C14 H12 F4 N3 O2 -","- C112 H96 F32 N24 O16 -","8","0.5","","Tretyakov, Evgeny V.; Fedyushin, Pavel A.; Panteleeva, Elena V.; Stass, Dmitri V.; Bagryanskaya, Irina Yu; Beregovaya, Irina V.; Bogomyakov, Artem S.","Substitution of a Fluorine Atom in Perfluorobenzonitrile by a Lithiated Nitronyl Nitroxide.","The Journal of organic chemistry","2017","82","8","4179","4185","10.1021/acs.joc.7b00144","","","0.71073","MoKα","","0.1087","0.0654","","","0.1415","0.1699","","","","","","1.09","","","","has coordinates","196144","2020-10-21","18:00:00",""
"4032433","10.3528","0.0003","10.8047","0.0003","26.1688","0.0006","90","","90","","90","","2927.21","0.14","296","2","296","2","","","","","","","","5","I b c a","-I 2b 2c","73","","4-(4,4,5,5-Tetramethyl-1-oxyl-4,5-dihydro-1H-imidazol-2-yl)- 2,3,5,6-tetrafluorobenzonitrile","","- C14 H12 F4 N3 O -","- C14 H12 F4 N3 O -","- C112 H96 F32 N24 O8 -","8","0.5","","Tretyakov, Evgeny V.; Fedyushin, Pavel A.; Panteleeva, Elena V.; Stass, Dmitri V.; Bagryanskaya, Irina Yu; Beregovaya, Irina V.; Bogomyakov, Artem S.","Substitution of a Fluorine Atom in Perfluorobenzonitrile by a Lithiated Nitronyl Nitroxide.","The Journal of organic chemistry","2017","82","8","4179","4185","10.1021/acs.joc.7b00144","","","0.71073","MoKα","","0.0773","0.0565","","","0.1364","0.1687","","","","","","1.032","","","","has coordinates","196144","2020-10-21","18:00:00",""
"4032434","10.0863","0.0006","12.4846","0.0007","13.1297","0.0007","76.259","0.002","78.474","0.002","87.054","0.002","1573.62","0.15","296","2","296","2","","","","","","","","5","P -1","-P 1","2","","4-((di(4,4,5,5-tetramethyl-4,5-dihydro-1H-imidazol-3-oxide-1-oxyle-yl) (perfluorophenyl)methyl)amino)-2,3,5,6-tetrafluoro-benzonitrile","","- C28 H24 F9 N6 O4 -","- C28 H24 F9 N6 O4 -","- C56 H48 F18 N12 O8 -","2","1","","Tretyakov, Evgeny V.; Fedyushin, Pavel A.; Panteleeva, Elena V.; Stass, Dmitri V.; Bagryanskaya, Irina Yu; Beregovaya, Irina V.; Bogomyakov, Artem S.","Substitution of a Fluorine Atom in Perfluorobenzonitrile by a Lithiated Nitronyl Nitroxide.","The Journal of organic chemistry","2017","82","8","4179","4185","10.1021/acs.joc.7b00144","","","0.71073","MoKα","","0.1234","0.0665","","","0.1749","0.2495","","","","","","1.235","","","","has coordinates","196144","2020-10-21","18:00:00",""
"4032435","11.2235","0.0002","12.7822","0.0003","13.1058","0.0003","62.549","0.001","83.916","0.001","87.437","0.001","1659.06","0.06","296","2","296","2","","","","","","","","5","P -1","-P 1","2","","","","- C40 H34 Br2 N3 O -","- C40 H33 Br2 N3 O -","- C80 H66 Br4 N6 O2 -","2","1","","Zhu, Guodong; Liu, Siyuan; Wu, Shiqi; Peng, Lianghong; Qu, Jingping; Wang, Baomin","Assembly of Indolenines, 3-Amino Oxindoles, and Aldehydes into Indolenine-Substituted Spiro[pyrrolidin-2,3'-oxindoles] via 1,3-Dipolar Cycloaddition with Divergent Diastereoselectivities.","The Journal of organic chemistry","2017","82","8","4317","4327","10.1021/acs.joc.7b00316","","","0.71073","MoKα","","0.0568","0.0391","","","0.1211","0.1311","","","","","","0.93","","","","has coordinates","196140","2020-10-21","18:00:00",""
"4032436","8.4038","0.0005","9.7159","0.0006","22.1773","0.0015","90","","90.719","0.006","90","","1810.6","0.2","323","","323","","","","","","","","","2","P 1 21/n 1","-P 2yn","14","","","","- C25 H22 -","- C25 H22 -","- C100 H88 -","4","1","","Ramesh, Karu; Satyanarayana, Gedu","A Domino Palladium-Catalyzed Cyclization: One-pot Synthesis of 4b-Alkyl-10-phenyl-4b,5-dihydroindeno[2,1-a]indenes via Carbopalladation Followed by C-H Activation.","The Journal of organic chemistry","2017","","","","","10.1021/acs.joc.7b00254","","x-ray","1.54184","CuKα","","0.0879","0.0605","","","0.1511","0.1793","","","","","","1.025","","","","has coordinates","195332","2020-10-21","18:00:00",""
"4032437","14.5573","0.0009","9.7534","0.0006","22.1777","0.0015","90","","90.462","0.002","90","","3148.8","0.3","100","1","100","1","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C32 H41 N9 O6 -","- C32 H41 N9 O6 -","- C128 H164 N36 O24 -","4","1","","Adam, Abdulselam; Haberhauer, Gebhard; Wölper, Christoph","Bio-inspired Herringbone Foldamers: Strategy for Changing the Structure of Helices.","The Journal of organic chemistry","2017","82","8","4203","4215","10.1021/acs.joc.7b00185","","","0.71073","MoKα","","0.0706","0.0494","","","0.1316","0.1473","","","","","","1.024","","","","has coordinates","196143","2020-10-21","18:00:00",""
"4032438","23.3708","0.0009","14.0581","0.0006","16.9479","0.0007","90","","93.186","0.002","90","","5559.6","0.4","100","1","100","1","","","","","","","","4","C 1 2 1","C 2y","5","","","","- C24 H37.66 N9 O4.66 -","- C24 H35 N9 O4.6645 -","- C192 H280 N72 O37.316 -","8","2","","Adam, Abdulselam; Haberhauer, Gebhard; Wölper, Christoph","Bio-inspired Herringbone Foldamers: Strategy for Changing the Structure of Helices.","The Journal of organic chemistry","2017","82","8","4203","4215","10.1021/acs.joc.7b00185","","","0.71073","MoKα","","0.0569","0.0397","","","0.0896","0.0986","","","","","","1.052","","","","has coordinates,has disorder","196143","2020-10-21","18:00:00",""
"4032439","10.6223","0.0005","11.869","0.0006","16.7855","0.0007","90","","104.442","0.002","90","","2049.38","0.17","200","2","200","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C34 H57 N13 O9 -","- C34 H57 N13 O9 -","- C68 H114 N26 O18 -","2","1","","Adam, Abdulselam; Haberhauer, Gebhard; Wölper, Christoph","Bio-inspired Herringbone Foldamers: Strategy for Changing the Structure of Helices.","The Journal of organic chemistry","2017","82","8","4203","4215","10.1021/acs.joc.7b00185","","","0.71073","MoKα","","0.0568","0.0425","","","0.1061","0.1147","","","","","","1.023","","","","has coordinates","196143","2020-10-21","18:00:00",""
"4032440","14.2403","0.0003","14.2403","0.0003","32.6696","0.0009","90","","90","","120","","5737.4","0.2","200","1","200","1","","","","","","","","4","R -3 :H","-R 3","148","","","","- C39 H39 N9 O3 -","- C39 H39 N9 O3 -","- C234 H234 N54 O18 -","6","0.333333","","Adam, Abdulselam; Haberhauer, Gebhard; Wölper, Christoph","Bio-inspired Herringbone Foldamers: Strategy for Changing the Structure of Helices.","The Journal of organic chemistry","2017","82","8","4203","4215","10.1021/acs.joc.7b00185","","","0.71073","MoKα","","0.0672","0.0477","","","0.1245","0.1321","","","","","","1.034","","","","has coordinates","196143","2020-10-21","18:00:00",""
"4032441","10.5904","0.0004","6.8559","0.0003","12.0499","0.0004","90","","109.077","0.002","90","","826.85","0.06","102","2","102","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C20 H23 N O4 -","- C20 H23 N O4 -","- C40 H46 N2 O8 -","2","1","","Hrdina, Radim; Larrosa, Marta; Logemann, Christian","Triflic Acid Promoted Decarboxylation of Adamantane-oxazolidine-2-one: Access to Chiral Amines and Heterocycles.","The Journal of organic chemistry","2017","82","9","4891","4899","10.1021/acs.joc.7b00711","","","0.71073","MoKα","","0.0485","0.0383","","","0.0892","0.0927","","","","","","1.039","","","","has coordinates","197463","2020-10-21","18:00:00",""
"4032442","25.349","0.002","8.7736","0.0007","15.5435","0.0019","90","","106.651","0.004","90","","3311.9","0.6","173","2","173","2","","","","","","","synthesis as described","4","C 1 c 1","C -2yc","9","","","","- C17 H22 N2 O5 -","- C17 H22 N2 O5 -","- C136 H176 N16 O40 -","8","2","","Hauduc, Clémence; Bélanger, Guillaume","General Approach toward Aspidospermatan-Type Alkaloids Using One-Pot Vilsmeier‒Haack Cyclization and Azomethine Ylide Cycloaddition","The Journal of Organic Chemistry","2017","","","","","10.1021/acs.joc.7b00345","","x-ray","1.54178","CuKα","","0.1692","0.1038","","","0.2502","0.3105","","","","","","1.006","","","","has coordinates","195519","2020-10-21","18:00:00",""
"4032443","15.1665","0.0015","20.999","0.002","6.8761","0.0007","90","","93.678","0.002","90","","2185.4","0.4","90","2","90","2","","","","","","","","6","C 1 c 1","C -2yc","9","AM-161206","","","- C23 H20 Br N O3 S2 -","- C23 H20 Br N O3 S2 -","- C92 H80 Br4 N4 O12 S8 -","4","1","","Soeta, Takahiro; Matsumoto, Akihiro; Sakata, Yoko; Ukaji, Yutaka","Development of a One-Pot Synthetic Method for Multifunctional Oxazole Derivatives Using Isocyanide Dichloride.","The Journal of organic chemistry","2017","","","","","10.1021/acs.joc.7b00296","","","1.54178","CuKα","","0.0607","0.0606","","","0.149","0.1491","","","","","","1.17","","","","has coordinates","195594","2020-10-21","18:00:00",""
"4032444","6.9573","0.0007","13.1585","0.0013","13.8579","0.0014","90","","90","","90","","1268.7","0.2","150","2","150","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","3ak","","- C15 H11 N O2 S -","- C15 H11 N O2 S -","- C60 H44 N4 O8 S4 -","4","1","","Simlandy, Amit Kumar; Mukherjee, Santanu","Catalytic Enantioselective Synthesis of 3,4-Unsubstituted Thiochromenes through Sulfa-Michael/Julia-Kocienski Olefination Cascade Reaction.","The Journal of organic chemistry","2017","82","9","4851","4858","10.1021/acs.joc.7b00579","","x-ray","0.71073","MoKα","","0.0554","0.0488","","","0.1274","0.1326","","","","","","1.036","","","","has coordinates","197462","2020-10-21","18:00:00",""
"4032445","10.9331","0.0002","10.9331","0.0002","54.663","0.001","90","","90","","90","","6534","0.2","296","2","296","2","","","","","","","","4","P 43 21 2","P 4nw 2abw","96","","","","- C38 H53 N O4 -","- C38 H53 N O4 -","- C304 H424 N8 O32 -","8","1","","Ortiz, Adrian; Soumeillant, Maxime; Savage, Scott A.; Strotman, Neil A.; Haley, Matthew; Benkovics, Tamas; Nye, Jeffrey; Xu, Zhongmin; Tan, Yichen; Ayers, Sloan; Gao, Qi; Kiau, Susanne","Synthesis of HIV-Maturation Inhibitor BMS-955176 from Betulin by an Enabling Oxidation Strategy.","The Journal of organic chemistry","2017","82","9","4958","4963","10.1021/acs.joc.7b00438","","","1.54178","CuKα","","0.0376","0.0329","","","0.0902","0.0953","","","","","","1.124","","","","has coordinates,has disorder","197464","2020-10-21","18:00:00",""
"4032446","7.2203","0.0002","12.1227","0.0004","37.8288","0.0013","90","","90","","90","","3311.14","0.18","296","2","296","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C38 H51 N O3 -","- C38 H51 N O3 -","- C152 H204 N4 O12 -","4","1","","Ortiz, Adrian; Soumeillant, Maxime; Savage, Scott A.; Strotman, Neil A.; Haley, Matthew; Benkovics, Tamas; Nye, Jeffrey; Xu, Zhongmin; Tan, Yichen; Ayers, Sloan; Gao, Qi; Kiau, Susanne","Synthesis of HIV-Maturation Inhibitor BMS-955176 from Betulin by an Enabling Oxidation Strategy.","The Journal of organic chemistry","2017","82","9","4958","4963","10.1021/acs.joc.7b00438","","","1.54178","CuKα","","0.0399","0.038","","","0.1075","0.1144","","","","","","1.074","","","","has coordinates","197464","2020-10-21","18:00:00",""
"4032448","13.032","0.002","5.5995","0.001","13.2174","0.0017","90","","99.231","0.014","90","","952","0.3","100","2","100.15","","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C22 H19 N O4 S -","- C22 H18.504 N O4 S -","- C44 H37.008 N2 O8 S2 -","2","1","","Chen, Ying-Han; Sun, Xue-Li; Guan, Hua-Shi; Liu, Yan-Kai","The Diversity-Oriented One-Pot Synthesis to Construct Functionalized Chroman-2-one Derivatives and Other Heterocyclic Compounds.","The Journal of organic chemistry","2017","","","","","10.1021/acs.joc.7b00461","","","1.54178","CuKα","","0.137","0.076","","","0.1664","0.218","","","","","","1.018","","","","has coordinates,has disorder","195726","2020-10-21","18:00:00",""
"4032449","14.3911","0.0014","10.3957","0.001","18.5711","0.0014","90","","119.604","0.005","90","","2415.7","0.4","296","2","296","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C29 H24 N2 O3 S -","- C29 H24 N2 O3 S -","- C116 H96 N8 O12 S4 -","4","1","","Liu, Wei; Du, Shan-Tao; Wang, Shu-Yue; Liao, Wei-Wei","Controllable Diastereodivergent Synthesis of Pyrrolo[2,1-a]isoquinolines via Catalytic Intramolecular Acylsulfenylation of Activated Alkenes.","The Journal of organic chemistry","2017","82","9","4829","4839","10.1021/acs.joc.7b00551","","","0.71073","MoKα","","0.0842","0.0485","","","0.1191","0.1439","","","","","","0.954","","","","has coordinates","197465","2020-10-21","18:00:00",""
"4032450","5.7229","0.0001","9.5442","0.0002","32.0798","0.0007","90","","90","","90","","1752.21","0.06","100","2","99.88","","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C19 H19 Br O4 -","- C19 H19 Br O4 -","- C76 H76 Br4 O16 -","4","1","","Wang, Michael H.; Barsoum, David; Schwamb, C. Benjamin; Cohen, Daniel T.; Goess, Brian C.; Riedrich, Matthias; Chan, Audrey; Maki, Brooks E.; Mishra, Rama K.; Scheidt, Karl A.","Catalytic, Enantioselective β-Protonation through a Cooperative Activation Strategy.","The Journal of organic chemistry","2017","","","","","10.1021/acs.joc.7b00334","","","1.54178","CuKα","","0.0281","0.0252","","","0.0563","0.0575","","","","","","1.071","","","","has coordinates","195790","2020-10-21","18:00:00",""
"4032451","8.465","0.002","11.17","0.003","11.577","0.005","108.342","0.007","104.039","0.008","106.454","0.005","928","0.5","295","2","295","2","","","","","","","","4","P -1","-P 1","2","","","","- C18 H19 Br O6 -","- C18 H19 Br O6 -","- C36 H38 Br2 O12 -","2","1","","Min, Junxiang; Xu, Guangyang; Sun, Jiangtao","Synthesis of Six-Membered Carbo-/Heterocycles via Cascade Reaction of Alkynes and Diazo Compounds.","The Journal of organic chemistry","2017","82","10","5492","5498","10.1021/acs.joc.7b00758","","","0.71073","MoKα","","0.0812","0.0562","","","0.1799","0.21","","","","","","1.016","","","","has coordinates","197458","2020-10-21","18:00:00",""
"4032452","27.9369","0.0005","20.0666","0.0004","20.6827","0.0004","90","","90","","90","","11594.7","0.4","295","2","295","2","","","","","","","","4","P b c n","-P 2n 2ab","60","","","","- C50 H28 F6 O2 -","- C50 H28 F6 O2 -","- C600 H336 F72 O24 -","12","1.5","","Tseng, Ting; Lu, Hsiu-Feng; Kao, Chen-Yi; Chiu, Chun-Wei; Chao, Ito; Prabhakar, Chetti; Yang, Jye-Shane","Redox-Gated Tristable Molecular Brakes of Geared Rotation.","The Journal of organic chemistry","2017","82","10","5354","5366","10.1021/acs.joc.7b00729","","","1.54178","CuKα","","0.1026","0.0703","","","0.189","0.2221","","","","","","1.066","","","","has coordinates","197456","2020-10-21","18:00:00",""
"4032453","6.8177","0.0008","17.185","0.002","19.121","0.002","90","","90","","90","","2240.3","0.4","293","2","293","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C27 H20 Cl N O4 -","- C27 H20 Cl N O4 -","- C108 H80 Cl4 N4 O16 -","4","1","","Jin, Jing-Hai; Li, Xiang-Yu; Luo, Xiaoyan; Fossey, John Stephen; Deng, Wei-Ping","Asymmetric Synthesis of cis-3,4-Dihydrocoumarins via [4+2] Cycloadditions Catalyzed by Amidine-Derivatives.","The Journal of organic chemistry","2017","","","","","10.1021/acs.joc.7b00367","","","0.71073","MoKα","","0.0586","0.0435","","","0.1005","0.1093","","","","","","1.026","","","","has coordinates","195884","2020-10-21","18:00:00",""
"4032454","6.2409","0.00005","50.3641","0.0003","8.2566","0.00006","90","","103.276","0.0007","90","","2525.83","0.03","150","0.1","150","0.1","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C23 H31 Cl2 N O5 Si -","- C23 H31 Cl2 N O5 Si -","- C92 H124 Cl8 N4 O20 Si4 -","4","1","","Ma, Xiang; Gao, Nadia; Banwell, Martin G.; Carr, Paul D.; Willis, Anthony C.","A Total Synthesis of (±)-3-O-Demethylmacronine through Rearrangement of a Precursor Embodying the Haemanthidine Alkaloid Framework.","The Journal of organic chemistry","2017","82","8","4336","4341","10.1021/acs.joc.7b00340","","x-ray","1.54184","CuKα","","0.0528","0.0505","","","0.1272","0.1292","","","","","","1.051","","","","has coordinates,has disorder","196015","2020-10-21","18:00:00",""
"4032455","10.6995","0.0004","15.0959","0.0006","34.2987","0.0013","90","","90","","90","","5539.9","0.4","100","2","100","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C36 H28 Br2 O2 -","- C36 H28 Br2 O2 -","- C288 H224 Br16 O16 -","8","1","","Farajidizaji, Behzad; Huang, Changfeng; Thakellapalli, Haresh; Li, Shuangjiang; Akhmedov, Novruz G.; Popp, Brian V.; Petersen, Jeffrey L.; Wang, Kung K.","Synthesis and Characterization of Functionalized [12]Cycloparaphenylenes Containing Four Alternating Biphenyl and Naphthyl Units.","The Journal of organic chemistry","2017","82","8","4458","4464","10.1021/acs.joc.7b00397","","","0.71073","MoKα","","0.0399","0.0327","","","0.0781","0.0813","","","","","","1.068","","","","has coordinates","196016","2020-10-21","18:00:00",""
"4032456","9.9514","0.0002","12.1514","0.0003","16.6468","0.0003","109.612","0.001","93.845","0.001","106.074","0.001","1793.39","0.07","296","2","296","2","","","","","","","","4","P -1","-P 1","2","","","","- C44 H43 N3 O3 -","- C44 H43 N3 O3 -","- C88 H86 N6 O6 -","2","1","","Zhu, Guodong; Liu, Siyuan; Wu, Shiqi; Peng, Lianghong; Qu, Jingping; Wang, Baomin","Assembly of Indolenines, 3-Amino Oxindoles, and Aldehydes into Indolenine-Substituted Spiro[pyrrolidin-2,3'-oxindoles] via 1,3-Dipolar Cycloaddition with Divergent Diastereoselectivities.","The Journal of organic chemistry","2017","82","8","4317","4327","10.1021/acs.joc.7b00316","","","0.71073","MoKα","","0.059","0.0504","","","0.1354","0.1425","","","","","","1.082","","","","has coordinates","258458","2020-10-21","18:00:00",""
"4032457","5.844","0.0001","9.814","0.0001","14.4195","0.0001","90","","90","","90","","827.002","0.017","150","","150","","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C11 H8 N2 -","- C11 H8 N2 -","- C44 H32 N8 -","4","1","","Yan, Qiao; Gin, Emma; Banwell, Martin G.; Willis, Anthony C.; Carr, Paul D.","A Unified Approach to the Isomeric α-, β-, γ-, and δ-Carbolines via their 6,7,8,9-Tetrahydro Counterparts.","The Journal of organic chemistry","2017","82","8","4328","4335","10.1021/acs.joc.7b00323","","","1.54184","CuKα","","0.0267","0.0267","","0.0726","0.0725","0.0726","","","","","","1.0001","","","","has coordinates","196018","2020-10-21","18:00:00",""
"4032458","12.1155","0.0007","3.9036","0.0002","18.1199","0.0013","90","","107.25","0.007","90","","818.42","0.09","150","","150","","","","","","","","local","3","I 1 a 1","I -2ya","9","","","","- C11 H8 N2 -","- C11 H8 N2 -","- C44 H32 N8 -","4","1","","Yan, Qiao; Gin, Emma; Banwell, Martin G.; Willis, Anthony C.; Carr, Paul D.","A Unified Approach to the Isomeric α-, β-, γ-, and δ-Carbolines via their 6,7,8,9-Tetrahydro Counterparts.","The Journal of organic chemistry","2017","82","8","4328","4335","10.1021/acs.joc.7b00323","","x-ray","1.54184","CuKα","","0.0422","0.042","","0.107","0.107","0.107","","","","","","1.0464","","","","has coordinates","196019","2020-10-21","18:00:00",""
"4032459","9.5865","0.0002","13.2423","0.0004","15.168","0.0004","90","","90","","90","","1925.54","0.09","150","","150","","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C24 H20 N4 -","- C24 H20 N4 -","- C96 H80 N16 -","4","1","","Yan, Qiao; Gin, Emma; Banwell, Martin G.; Willis, Anthony C.; Carr, Paul D.","A Unified Approach to the Isomeric α-, β-, γ-, and δ-Carbolines via their 6,7,8,9-Tetrahydro Counterparts.","The Journal of organic chemistry","2017","82","8","4328","4335","10.1021/acs.joc.7b00323","","","0.71073","MoKα","","0.0389","0.0317","","0.0752","0.0614","0.0733","","","","","","1","","","","has coordinates","196020","2020-10-21","18:00:00",""
"4032460","11.1814","0.0002","5.53776","0.00008","13.4546","0.0002","90","","96.2939","0.0015","90","","828.09","0.02","150","","150","","","","","","","","local","3","P 1 21/n 1","-P 2yn","14","","","","- C11 H8 N2 -","- C11 H8 N2 -","- C44 H32 N8 -","4","1","","Yan, Qiao; Gin, Emma; Banwell, Martin G.; Willis, Anthony C.; Carr, Paul D.","A Unified Approach to the Isomeric α-, β-, γ-, and δ-Carbolines via their 6,7,8,9-Tetrahydro Counterparts.","The Journal of organic chemistry","2017","82","8","4328","4335","10.1021/acs.joc.7b00323","","x-ray","1.54184","CuKα","","0.0381","0.0349","","0.0888","0.0857","0.0888","","","","","","0.9968","","","","has coordinates","196021","2020-10-21","18:00:00",""
"4032461","10.971","0.003","9.801","0.002","24.597","0.005","90","","95.854","0.014","90","","2631","1","100","2","100","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","Benzoxazinone","'Pentafluoro benzoxazinone'","","- C15 H8 F5 N O2 -","- C15 H8 F5 N O2 -","- C120 H64 F40 N8 O16 -","8","2","","Patel, Ketan; Deshmukh, Satej S.; Bodkhe, Dnyaneshwar; Mane, Manoj; Vanka, Kumar; Shinde, Dinesh; Rajamohanan, Pattuparambil R.; Nandi, Shyamapada; Vaidhyanathan, Ramanathan; Chikkali, Samir H.","Secondary Interactions Arrest the Hemiaminal Intermediate To Invert the Modus Operandi of Schiff Base Reaction: A Route to Benzoxazinones.","The Journal of organic chemistry","2017","82","8","4342","4351","10.1021/acs.joc.7b00352","","","1.54178","CuKα","","0.1305","0.0802","","","0.1675","0.1936","","","","","","1.052","","","","has coordinates","196022","2020-10-21","18:00:00",""
"4032462","20.399","0.0008","5.7846","0.0002","7.8899","0.0003","90","","98.458","0.004","90","","920.88","0.06","150","","150","","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C13 H11 N -","- C13 H11 N -","- C52 H44 N4 -","4","1","","Yan, Qiao; Gin, Emma; Wasinska-Kalwa, Malgorzata; Banwell, Martin G.; Carr, Paul D.","A Palladium-Catalyzed Ullmann Cross-Coupling/Reductive Cyclization Route to the Carbazole Natural Products 3-Methyl-9H-carbazole, Glycoborine, Glycozoline, Clauszoline K, Mukonine, and Karapinchamine A.","The Journal of organic chemistry","2017","82","8","4148","4159","10.1021/acs.joc.7b00044","","","1.54184","CuKα","","0.0586","0.0565","","0.0962","0.0956","0.0962","","","","","","1","","","","has coordinates","196023","2020-10-21","18:00:00",""
"4032463","21.5986","0.0004","6.8991","0.00011","17.6362","0.0003","90","","104.596","0.002","90","","2543.17","0.08","150.01","0.1","150.01","0.1","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C14 H15 N O4 -","- C14 H15 N O4 -","- C112 H120 N8 O32 -","8","2","","Yan, Qiao; Gin, Emma; Wasinska-Kalwa, Malgorzata; Banwell, Martin G.; Carr, Paul D.","A Palladium-Catalyzed Ullmann Cross-Coupling/Reductive Cyclization Route to the Carbazole Natural Products 3-Methyl-9H-carbazole, Glycoborine, Glycozoline, Clauszoline K, Mukonine, and Karapinchamine A.","The Journal of organic chemistry","2017","82","8","4148","4159","10.1021/acs.joc.7b00044","","x-ray","1.54184","CuKα","","0.0871","0.0842","","","0.2124","0.2142","","","","","","1.122","","","","has coordinates,has disorder","196024","2020-10-21","18:00:00",""
"4032464","7.1367","0.0001","13.239","0.0001","22.5108","0.0002","90","","90","","90","","2126.88","0.04","150","","150","","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C14 H11 N O2 -","- C14 H11 N O2 -","- C112 H88 N8 O16 -","8","1","","Yan, Qiao; Gin, Emma; Wasinska-Kalwa, Malgorzata; Banwell, Martin G.; Carr, Paul D.","A Palladium-Catalyzed Ullmann Cross-Coupling/Reductive Cyclization Route to the Carbazole Natural Products 3-Methyl-9H-carbazole, Glycoborine, Glycozoline, Clauszoline K, Mukonine, and Karapinchamine A.","The Journal of organic chemistry","2017","82","8","4148","4159","10.1021/acs.joc.7b00044","","","1.54184","CuKα","","0.0338","0.0332","","0.0578","0.0576","0.0578","","","","","","1","","","","has coordinates","196025","2020-10-21","18:00:00",""
"4032465","9.654","0.003","10.951","0.003","13.265","0.004","77.526","0.003","70.388","0.004","79.507","0.004","1280.7","0.7","293","2","296.15","","","","","","","","","6","P -1","-P 1","2","","","","- C29 H23 Br F2 N O3 -","- C29 H23 Br F2 N O3 -","- C58 H46 Br2 F4 N2 O6 -","2","1","","Huang, Honggui; Li, Yi","Sustainable Difluoroalkylation Cyclization Cascades of 1,8-Enynes.","The Journal of organic chemistry","2017","82","8","4449","4457","10.1021/acs.joc.7b00350","","","0.71073","MoKα","","0.0962","0.0634","","","0.1604","0.189","","","","","","1.021","","","","has coordinates","196026","2020-10-21","18:00:00",""
"4032466","8.0463","0.0002","11.0031","0.0003","22.3913","0.0005","90","","90","","90","","1982.4","0.09","296","2","296","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","(6R,9R)-9-((triisopropylsilyl)oxy)-6,7,8,9-tetrahydro-5H-cyclohepta[b]pyridin-6-ol","","- C19 H33 N O2 Si -","- C19 H33 N O2 Si -","- C76 H132 N4 O8 Si4 -","4","1","","Luo, Guanglin; Chen, Ling; Conway, Charles M.; Kostich, Walter; Johnson, Benjamin M.; Ng, Alicia; Macor, John E.; Dubowchik, Gene M.","Asymmetric Synthesis of the Major Metabolite of a Calcitonin Gene-Related Peptide Receptor Antagonist and Mechanism of Epoxide Hydrogenolysis.","The Journal of organic chemistry","2017","82","7","3710","3720","10.1021/acs.joc.7b00052","","","1.54178","CuKα","","0.0375","0.0362","","","0.1144","0.1163","","","","","","0.989","","","","has coordinates","196027","2020-10-21","18:00:00",""
"4032467","12.9896","0.0014","4.9301","0.0005","38.715","0.004","90","","96.427","0.006","90","","2463.7","0.4","150","2","150","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C15 H10 F3 N O2 -","- C15 H10 F3 N O2 -","- C120 H80 F24 N8 O16 -","8","2","","Liang, Dongdong; Yu, Wenbo; Nguyen, Nam; Deschamps, Jeffrey R.; Imler, Gregory H.; Li, Yue; MacKerell, Jr, Alexander D; Jiang, Chao; Xue, Fengtian","Iodobenzene-Catalyzed Synthesis of Phenanthridinones via Oxidative C-H Amidation.","The Journal of organic chemistry","2017","82","7","3589","3596","10.1021/acs.joc.7b00106","","","1.54178","CuKα","","0.0612","0.05","","","0.1341","0.1424","","","","","","1.062","","","","has coordinates","196028","2020-10-21","18:00:00",""
"4032468","32.5385","0.0015","9.6703","0.0004","17.3689","0.0007","90","","120.546","0.003","90","","4706.8","0.4","296","2","296","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","S1493","","","- C30 H18 N O3 -","- C30 H18 N O3 -","- C240 H144 N8 O24 -","8","1","","Sharma, Satyasheel; Oh, Yongguk; Mishra, Neeraj Kumar; De, Umasankar; Jo, Hyeim; Sachan, Richa; Kim, Hyung Sik; Jung, Young Hoon; Kim, In Su","Rhodium-Catalyzed [3 + 2] Annulation of Cyclic N-Acyl Ketimines with Activated Olefins: Anticancer Activity of Spiroisoindolinones.","The Journal of organic chemistry","2017","82","7","3359","3367","10.1021/acs.joc.6b02708","","","0.71073","","","0.1135","0.1074","","","0.2811","0.2881","","","","","","1.041","","","","has coordinates","196029","2020-10-21","18:00:00",""
"4032469","11.9977","0.0014","12.188","0.0014","13.648","0.002","90","","93.308","0.002","90","","1992.4","0.4","100","2","100","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","N,N'-di(pyridin-2-yl)-6H,12H-dibenzo[b,f][1,5]dithiocine-6,12-diamine","","- C24 H16 N4 S2 -","- C24 H16 N4 S2 -","- C96 H64 N16 S8 -","4","0.5","","Gangireddy, Pavankumar; Patro, Vidyavathi; Lam, Leighann; Morimoto, Mariko; Liebeskind, Lanny S.","Mechanism of Acylative Oxidation-Reduction-Condensation Reactions Using Benzoisothiazolones as Oxidant and Triethylphosphite as Stoichiometric Reductant.","The Journal of organic chemistry","2017","82","7","3513","3529","10.1021/acs.joc.7b00020","","","0.71073","MoKα","","0.0644","0.0524","","","0.1336","0.141","","","","","","1.056","","","","has coordinates","196030","2020-10-21","18:00:00",""
"4032470","10.454","0.001","11.4769","0.0012","12.4781","0.0015","95.655","0.001","109.758","0.002","94.323","0.001","1392.6","0.3","298","2","298","2","","","","","","","","5","P -1","-P 1","2","","","","- C32 H29 Cl N2 O5 -","- C32 H29 Cl N2 O5 -","- C64 H58 Cl2 N4 O10 -","2","1","","Wang, Lu; Shi, Li-Xia; Liu, Lu; Li, Zhuo-Xuan; Xu, Ting; Hao, Wen-Juan; Li, Guigen; Tu, Shu-Jiang; Jiang, Bo","Synthesis of Diastereoenriched Oxazolo[5,4-b]indoles via Catalyst-Free Multicomponent Bicyclizations.","The Journal of organic chemistry","2017","82","7","3605","3611","10.1021/acs.joc.7b00129","","","0.71073","MoKα","","0.1464","0.069","","","0.1303","0.1515","","","","","","1.049","","","","has coordinates","196031","2020-10-21","18:00:00",""
"4032471","9.6577","0.0002","26.6774","0.0005","10.5938","0.0002","90","","109.914","0.002","90","","2566.21","0.09","120","2","120","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C24 H42 O4 Si2 -","- C24 H42 O4 Si2 -","- C96 H168 O16 Si8 -","4","1","","Maier, Lukáš; Khirsariya, Prashant; Hylse, Ondřej; Adla, Santosh Kumar; Černová, Lenka; Poljak, Michal; Krajčovičová, Soňa; Weis, Erik; Drápela, Stanislav; Souček, Karel; Paruch, Kamil","Diastereoselective Flexible Synthesis of Carbocyclic C-Nucleosides.","The Journal of organic chemistry","2017","82","7","3382","3402","10.1021/acs.joc.6b02594","","","0.71073","MoKα","","0.0501","0.0462","","","0.1212","0.126","","","","","","1.061","","","","has coordinates","196032","2020-10-21","18:00:00",""
"4032472","12.5947","0.0002","6.7483","0.0001","14.1169","0.0003","90","","105.382","0.002","90","","1156.86","0.04","120","2","120","2","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","","","- C13 H18 O3 -","- C13 H18 O3 -","- C52 H72 O12 -","4","1","","Maier, Lukáš; Khirsariya, Prashant; Hylse, Ondřej; Adla, Santosh Kumar; Černová, Lenka; Poljak, Michal; Krajčovičová, Soňa; Weis, Erik; Drápela, Stanislav; Souček, Karel; Paruch, Kamil","Diastereoselective Flexible Synthesis of Carbocyclic C-Nucleosides.","The Journal of organic chemistry","2017","82","7","3382","3402","10.1021/acs.joc.6b02594","","","0.71073","MoKα","","0.0447","0.0425","","","0.1178","0.12","","","","","","1.044","","","","has coordinates","196033","2020-10-21","18:00:00",""
"4032473","7.6762","0.0006","10.2708","0.0009","12.3668","0.001","101.731","0.007","92.064","0.006","107.741","0.007","904.21","0.14","293","2","293.15","","","","","","","","","4","P -1","-P 1","2","","","","- C23 H20 N2 O -","- C23 H20 N2 O -","- C46 H40 N4 O2 -","2","1","","Zhou, Xiaorong; Zhang, Zhiyin; Zhao, Hongyang; Lu, Ping; Wang, Yanguang","Rh-Catalyzed Annulations of N-Methoxybenzamides and Ketenimines: Sterically and Electronically Controlled Synthesis of Isoquinolinones and Isoindolinones.","The Journal of organic chemistry","2017","82","7","3787","3797","10.1021/acs.joc.7b00258","","","0.71073","MoKα","","0.0659","0.047","","","0.109","0.1242","","","","","","1.05","","","","has coordinates","196034","2020-10-21","18:00:00",""
"4032474","11.515","0.002","13.218","0.002","11.683","0.002","90","","93.795","0.005","90","","1774.3","0.5","100","","100","","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C20 H8 N6 S3 -","- C20 H8 N6 S3 -","- C80 H32 N24 S12 -","4","1","","Langis-Barsetti, Sophie; Maris, Thierry; Wuest, James D.","Molecular Organization of 2,1,3-Benzothiadiazoles in the Solid State.","The Journal of organic chemistry","2017","","","","","10.1021/acs.joc.6b02778","","x-ray","1.34139","GaKα","","0.0825","0.0483","","","0.1016","0.1151","","","","","","1.03","","","","has coordinates","196193","2020-10-21","18:00:00",""
"4032475","14.218","0.002","3.651","0.0007","7.7954","0.0013","90","","90","","90","","404.66","0.12","100","","100","","","","","","","","","3","P m n 21","P 2ac -2","31","","","","- C6 N6 S3 -","- C6 N6 S3 -","- C12 N12 S6 -","2","0.5","","Langis-Barsetti, Sophie; Maris, Thierry; Wuest, James D.","Molecular Organization of 2,1,3-Benzothiadiazoles in the Solid State.","The Journal of organic chemistry","2017","","","","","10.1021/acs.joc.6b02778","","x-ray","1.34139","GaKα","","0.0426","0.0387","","","0.0957","0.0979","","","","","","1.124","","","","has coordinates","196194","2020-10-21","18:00:00",""
"4032476","12.812","0.002","7.0885","0.0012","23.719","0.004","90","","90","","90","","2154.1","0.6","294","2","294","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C12 H9 N3 S -","- C12 H9 N3 S -","- C96 H72 N24 S8 -","8","1","","Tumula, Nagaraju; Jatangi, Nagesh; Palakodety, Radha Krishna; Balasubramanian, Sridhar; Nakka, Mangarao","I2-Catalyzed Oxidative N-S Bond Formation: Metal-Free Regiospecific Synthesis of N-Fused and 3,4-Disubstituted 5-Imino-1,2,4-thiadiazoles.","The Journal of organic chemistry","2017","82","10","5310","5316","10.1021/acs.joc.7b00646","","","0.71073","MoKα","","0.1035","0.0849","","","0.1797","0.1874","","","","","","1.349","","","","has coordinates","197459","2020-10-21","18:00:00",""
"4032477","10.3149","0.0012","6.163","0.0007","16.152","0.002","90","","105.452","0.015","90","","989.7","0.2","293","2","293","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C11 H9 N3 O -","- C11 H9 N3 O -","- C44 H36 N12 O4 -","4","1","","Ding, Xiaomei; Huang, Manna; Yi, Zhou; Du, Dongchen; Zhu, Xinhai; Wan, Yiqian","Room-Temperature CuI-Catalyzed Amination of Aryl Iodides and Aryl Bromides.","The Journal of organic chemistry","2017","82","10","5416","5423","10.1021/acs.joc.7b00290","","","1.54178","CuKα","","0.0563","0.0436","","","0.1108","0.1219","","","","","","1.079","","","","has coordinates","197461","2020-10-21","18:00:00",""
"4032478","13.1943","0.0013","8.1217","0.0008","18.6026","0.0018","90","","107.453","0.003","90","","1901.7","0.3","100","2","100","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C24 H21 N O3 -","- C24 H21 N O3 -","- C96 H84 N4 O12 -","4","1","","Chandrasekhar, D. Balaji; Tsay, Shwu-Chen; Pradhan, Tapan K.; Hwu, Jih Ru","Syntheses of Chroman-2-ones and α-Amino Acids through a Diastereoselective Domino Reaction.","The Journal of organic chemistry","2017","82","11","5524","5537","10.1021/acs.joc.7b00260","","","0.71073","MoKα","","0.0519","0.038","","","0.0872","0.0945","","","","","","1.027","","","","has coordinates","197467","2020-10-21","18:00:00",""
"4032479","18.65","0.007","5.121","0.003","14.299","0.005","90","","112.07","0.03","90","","1265.6","1","173","2","173","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","4-methyl-7-(4-pentafluorophenyl)-2H-3H-[1,2,4]triazolo [3,2-c][1,2,4]triazolium chloride","","- C10 H5 Cl F5 N5 -","- C10 H5 Cl F5 N5 -","- C40 H20 Cl4 F20 N20 -","4","1","","Centore, Roberto; Manfredi, Carla; Capobianco, Amedeo; Volino, Sabato; Ferrara, Maria Vittoria; Carella, Antonio; Fusco, Sandra; Peluso, Andrea","Solid State Separation and Isolation of Tautomers of Fused-Ring Triazolotriazoles.","The Journal of organic chemistry","2017","","","","","10.1021/acs.joc.7b00380","","x-ray","0.71073","MoKα","","0.0824","0.0489","","","0.102","0.1167","","","","","","1.082","","","","has coordinates,has disorder","196533","2020-10-21","18:00:00",""
"4032480","7.44","0.004","7.713","0.0008","13.61","0.006","86.48","0.02","74.24","0.05","85.21","0.03","748.4","0.6","173","2","173","2","","","","","","","","7","P -1","-P 1","2","","4-methyl-7-(4-deureroxyphenyl)-2D-3D-[1,2,4]triazolo [3,2-c][1,2,4]triazolium chloride D6-dimethylsulphoxide solvate","","- C12 H7 Cl D9 N5 O2 S -","- C12 H7 Cl D9 N5 O2 S -","- C24 H14 Cl2 D18 N10 O4 S2 -","2","1","","Centore, Roberto; Manfredi, Carla; Capobianco, Amedeo; Volino, Sabato; Ferrara, Maria Vittoria; Carella, Antonio; Fusco, Sandra; Peluso, Andrea","Solid State Separation and Isolation of Tautomers of Fused-Ring Triazolotriazoles.","The Journal of organic chemistry","2017","","","","","10.1021/acs.joc.7b00380","","x-ray","0.71073","MoKα","","0.0367","0.0304","","","0.0787","0.0828","","","","","","1.093","","","","has coordinates","196533","2020-10-21","18:00:00",""
"4032481","10.062","0.005","7.286","0.003","27.054","0.006","90","","105.89","0.02","90","","1907.6","1.3","293","2","293","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","4-methyl-7-(4-hydroxyphenyl)-2H-[1,2,4]triazolo[3,2-c] [1,2,4]triazole","","- C10 H9 N5 O -","- C10 H9 N5 O -","- C80 H72 N40 O8 -","8","2","","Centore, Roberto; Manfredi, Carla; Capobianco, Amedeo; Volino, Sabato; Ferrara, Maria Vittoria; Carella, Antonio; Fusco, Sandra; Peluso, Andrea","Solid State Separation and Isolation of Tautomers of Fused-Ring Triazolotriazoles.","The Journal of organic chemistry","2017","","","","","10.1021/acs.joc.7b00380","","x-ray","0.71073","MoKα","","0.1355","0.0574","","","0.0992","0.121","","","","","","1.061","","","","has coordinates","196533","2020-10-21","18:00:00",""
"4032482","17.903","0.005","6.752","0.002","24.726","0.006","90","","121.55","0.03","90","","2547.1","1.5","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","4-methyl-7-(4-hydroxyphenyl)-2H-3H-[1,2,4]triazolo [3,2-c][1,2,4]triazolium sulphate trihydrate","","- C20 H26 N10 O9 S -","- C20 H26 N10 O9 S -","- C80 H104 N40 O36 S4 -","4","1","","Centore, Roberto; Manfredi, Carla; Capobianco, Amedeo; Volino, Sabato; Ferrara, Maria Vittoria; Carella, Antonio; Fusco, Sandra; Peluso, Andrea","Solid State Separation and Isolation of Tautomers of Fused-Ring Triazolotriazoles.","The Journal of organic chemistry","2017","","","","","10.1021/acs.joc.7b00380","","x-ray","0.71073","MoKα","","0.1537","0.0661","","","0.1338","0.1689","","","","","","1.04","","","","has coordinates,has disorder","196533","2020-10-21","18:00:00",""
"4032483","11.593","0.004","18.283","0.006","7.6","0.003","90","","97.58","0.02","90","","1596.8","1","293","2","293","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","4-methyl-7-(4-hydroxyphenyl)-2H-[1,2,4]triazolo[3,2-c] [1,2,4]triazole acetic acid disolvate","","- C14 H17 N5 O5 -","- C14 H17 N5 O5 -","- C56 H68 N20 O20 -","4","1","","Centore, Roberto; Manfredi, Carla; Capobianco, Amedeo; Volino, Sabato; Ferrara, Maria Vittoria; Carella, Antonio; Fusco, Sandra; Peluso, Andrea","Solid State Separation and Isolation of Tautomers of Fused-Ring Triazolotriazoles.","The Journal of organic chemistry","2017","","","","","10.1021/acs.joc.7b00380","","x-ray","0.71073","MoKα","","0.1983","0.0731","","","0.1279","0.1679","","","","","","0.995","","","","has coordinates","196533","2020-10-21","18:00:00",""
"4032484","6.147","0.0008","13.509","0.004","13.966","0.004","90","","105.541","0.019","90","","1117.3","0.5","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","4-methyl-7-(4-hydroxyphenyl)-1H-3H-[1,2,4]triazolo [3,2-c][1,2,4]triazolium chloride","","- C10 H10 Cl N5 O -","- C10 H10 Cl N5 O -","- C40 H40 Cl4 N20 O4 -","4","1","","Centore, Roberto; Manfredi, Carla; Capobianco, Amedeo; Volino, Sabato; Ferrara, Maria Vittoria; Carella, Antonio; Fusco, Sandra; Peluso, Andrea","Solid State Separation and Isolation of Tautomers of Fused-Ring Triazolotriazoles.","The Journal of organic chemistry","2017","","","","","10.1021/acs.joc.7b00380","","x-ray","0.71073","MoKα","","0.1022","0.0513","","","0.1076","0.1301","","","","","","1.069","","","","has coordinates","196533","2020-10-21","18:00:00",""
"4032485","14.789","0.004","10.621","0.003","23.418","0.006","90","","95.206","0.004","90","","3663.2","1.7","143","","143","","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C48 H44 B N O2 -","- C48 H44 B N O2 -","- C192 H176 B4 N4 O8 -","4","1","","Kurata, Ryohei; Ito, Akihiro; Gon, Masayuki; Tanaka, Kazuo; Chujo, Yoshiki","Diarylamino- and Diarylboryl-Substituted Donor‒Acceptor Pyrene Derivatives: Influence of Substitution Pattern on Their Photophysical Properties","The Journal of Organic Chemistry","2017","","","","","10.1021/acs.joc.7b00315","","","0.7107","MoKα","","","0.0735","","","","0.2194","","","","","","1.143","","","","has coordinates","196560","2020-10-21","18:00:00",""
"4032486","10.4971","0.0002","7.6333","0.0001","16.6642","0.0003","90","","93.33","0.001","90","","1333.01","0.04","100","","100","","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C16 H14 N2 O3 -","- C16 H14 N2 O3 -","- C64 H56 N8 O12 -","4","1","","Lévesque, Éric; Bechara, William S.; Constantineau-Forget, Léa; Pelletier, Guillaume; Rachel, Natalie M.; Pelletier, Joelle N.; Charette, André B","General C-H Arylation Strategy for the Synthesis of Tunable Visible Light-Emitting Benzo[a]imidazo[2,1,5-c,d]indolizine Fluorophores.","The Journal of organic chemistry","2017","82","10","5046","5067","10.1021/acs.joc.6b02928","","x-ray","1.54178","CuKα","","0.0348","0.0325","","","0.0886","0.0916","","","","","","1.051","","","","has coordinates","197455","2020-10-21","18:00:00",""
"4032487","12.6062","0.0008","15.8957","0.001","6.5668","0.0004","90","","99.593","0.003","90","","1297.48","0.14","150","","150","","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C19 H12 N2 -","- C19 H12 N2 -","- C76 H48 N8 -","4","1","","Lévesque, Éric; Bechara, William S.; Constantineau-Forget, Léa; Pelletier, Guillaume; Rachel, Natalie M.; Pelletier, Joelle N.; Charette, André B","General C-H Arylation Strategy for the Synthesis of Tunable Visible Light-Emitting Benzo[a]imidazo[2,1,5-c,d]indolizine Fluorophores.","The Journal of organic chemistry","2017","82","10","5046","5067","10.1021/acs.joc.6b02928","","x-ray","1.54178","CuKα","","0.0638","0.0505","","","0.13","0.1414","","","","","","1.067","","","","has coordinates","197455","2020-10-21","18:00:00",""
"4032488","10.0199","0.0017","11.491","0.002","8.1689","0.0014","90","","100.574","0.002","90","","924.6","0.3","100","2","100","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C9 H7 Br N2 O -","- C9 H7 Br N2 O -","- C36 H28 Br4 N8 O4 -","4","1","","Wang, Fang; Zhang, Tao; Tu, Hai-Yong; Zhang, Xing-Guo","Transition-Metal-Free Conversion of Trifluoropropanamides into Cyanoformamides through C-CF3 Bond Cleavage and Nitrogenation.","The Journal of organic chemistry","2017","","","","","10.1021/acs.joc.7b00626","","","0.71073","MoKα","","0.0274","0.0266","","","0.0886","0.0893","","","","","","1.016","","","","has coordinates","196563","2020-10-21","18:00:00",""
"4032489","9.036","0.018","12.31","0.03","12.72","0.03","104.25","0.03","93.336","0.019","90.5","0.04","1369","5","293","","293","","","","","","","","","4","P -1","-P 1","2","","","","- C17 H16 N2 O -","- C17 H16 N2 O -","- C68 H64 N8 O4 -","4","2","","Miura, Wataru; Hirano, Koji; Miura, Masahiro","Nickel-Catalyzed Directed C6-Selective C-H Alkylation of 2-Pyridones with Dienes and Activated Alkenes.","The Journal of organic chemistry","2017","","","","","10.1021/acs.joc.7b00682","","","0.71075","MoKα","","0.2225","0.1011","","","0.2282","0.3059","","","","","","1.067","","","","has coordinates","196564","2020-10-21","18:00:00",""
"4032490","8.624","0.0009","9.7739","0.0006","10.9703","0.0013","94.825","0.007","97.934","0.009","92.335","0.007","911.31","0.16","100","0.3","100","0.3","","","","","","","","6","P -1","-P 1","2","","","","- C14 H16 Cl0.3 I2.62 N2 O -","- C14 H16 Cl0.3 I2.62 N2 O -","- C28 H32 Cl0.6 I5.24 N4 O2 -","2","1","","Beyeh, Ngong Kodiah; Jo, Hyun Hwa; Kolesnichenko, Igor; Pan, Fangfang; Kalenius, Elina; Anslyn, Eric V.; Ras, Robin H. A.; Rissanen, Kari","Recognition of Viologen Derivatives in Water by N-Alkyl Ammonium Resorcinarene Chlorides.","The Journal of organic chemistry","2017","82","10","5198","5203","10.1021/acs.joc.7b00449","","x-ray","0.71073","MoKα","","0.0577","0.0492","","","0.1246","0.1322","","","","","","1.089","","","","has coordinates,has disorder","197454","2020-10-21","18:00:00",""
"4032491","9.8611","0.0003","21.0117","0.0008","22.6116","0.001","68.296","0.004","78.859","0.003","84.254","0.003","4268.8","0.3","123.01","0.1","123.01","0.1","","","","","","","","4","P -1","-P 1","2","","","","- C22 H23 I5 N4 -","- C22 H23 I5 N4 -","- C132 H138 I30 N24 -","6","3","","Beyeh, Ngong Kodiah; Jo, Hyun Hwa; Kolesnichenko, Igor; Pan, Fangfang; Kalenius, Elina; Anslyn, Eric V.; Ras, Robin H. A.; Rissanen, Kari","Recognition of Viologen Derivatives in Water by N-Alkyl Ammonium Resorcinarene Chlorides.","The Journal of organic chemistry","2017","82","10","5198","5203","10.1021/acs.joc.7b00449","","x-ray","1.54184","CuKα","","0.0878","0.0562","","","0.1108","0.1271","","","","","","1.026","","","","has coordinates","254431","2020-10-21","18:00:00",""
"4032492","15.1173","0.0003","14.2656","0.0003","16.7613","0.0003","90","","90","","90","","3614.7","0.12","123","","123","","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C18 H11 Cl N6 O5 -","- C18 H11 Cl N6 O5 -","- C144 H88 Cl8 N48 O40 -","8","1","","Iwai, Kento; Asahara, Haruyasu; Nishiwaki, Nagatoshi","Synthesis of Functionalized 3-Cyanoisoxazoles Using a Dianionic Reagent.","The Journal of organic chemistry","2017","","","","","10.1021/acs.joc.7b00811","","","1.54187","CuKα","","0.0363","0.0344","","","0.0863","0.0875","","","","","","1.082","","","","has coordinates","196593","2020-10-21","18:00:00",""
"4032493","19.0974","0.0009","19.0974","0.0009","8.3204","0.0004","90","","90","","90","","3034.5","0.2","100.02","","100.02","","","","","","","","","5","P -4 21 c","P -4 2n","114","","5,10,15,20-tetrakis((4-bromophenyl)thio)-2,3,7,8,12,13,17,18-octaethylporphyrin","","- C60 H58 Br4 N4 S4 -","- C60 H58 Br4 N4 S4 -","- C120 H116 Br8 N8 S8 -","2","0.25","","Kielmann, Marc; Flanagan, Keith J.; Norvaiša, Karolis; Intrieri, Daniela; Senge, Mathias O.","Synthesis of a Family of Highly Substituted Porphyrin Thioethers via Nitro Displacement in 2,3,7,8,12,13,17,18-Octaethyl-5,10,15,20-tetranitroporphyrin.","The Journal of organic chemistry","2017","82","10","5122","5134","10.1021/acs.joc.7b00328","","x-ray","0.71073","MoKα","","0.0361","0.0318","","","0.07","0.0713","","","","","","1.048","","","","has coordinates","197460","2020-10-21","18:00:00",""
"4032494","8.947","0.0005","55.603","0.003","20.6784","0.001","90","","91.7016","0.0015","90","","10282.6","0.9","100","","100.02","","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","2,3,7,8,12,13,17,18-octaethyl-5,10,15,20-tetrakis(phenylthio)porphyrin","","- C60 H62 N4 S4 -","- C60 H62 N4 S4 -","- C480 H496 N32 S32 -","8","2","","Kielmann, Marc; Flanagan, Keith J.; Norvaiša, Karolis; Intrieri, Daniela; Senge, Mathias O.","Synthesis of a Family of Highly Substituted Porphyrin Thioethers via Nitro Displacement in 2,3,7,8,12,13,17,18-Octaethyl-5,10,15,20-tetranitroporphyrin.","The Journal of organic chemistry","2017","82","10","5122","5134","10.1021/acs.joc.7b00328","","x-ray","0.71073","MoKα","","0.0631","0.0488","","","0.0999","0.105","","","","","","1.108","","","","has coordinates","197460","2020-10-21","18:00:00",""
"4032495","8.7585","0.0005","23.2617","0.0014","24.6838","0.0014","90","","90","","90","","5029","0.5","100.01","","100.01","","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","2,3,7,8,12,13,17,18-octaethyl-5,10,15,20-tetrakis(pyridin-2-ylthio)porphyrin","","- C56 H58 N8 S4 -","- C56 H58 N8 S4 -","- C224 H232 N32 S16 -","4","1","","Kielmann, Marc; Flanagan, Keith J.; Norvaiša, Karolis; Intrieri, Daniela; Senge, Mathias O.","Synthesis of a Family of Highly Substituted Porphyrin Thioethers via Nitro Displacement in 2,3,7,8,12,13,17,18-Octaethyl-5,10,15,20-tetranitroporphyrin.","The Journal of organic chemistry","2017","82","10","5122","5134","10.1021/acs.joc.7b00328","","x-ray","1.54178","CuKα","","0.0736","0.0656","","","0.1695","0.1773","","","","","","1.035","","","","has coordinates","197460","2020-10-21","18:00:00",""
"4032496","14.405","0.0005","29.2714","0.0009","15.847","0.0005","90","","97.683","0.002","90","","6622","0.4","100","2","100","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","2,3,7,8,12,13,17,18-octaethyl-5,10,15,20-tetrakis(naphthyl-2-ylthio)porphyrin and 2,3,7,8,12,13,17,18-octaethyl-10,15,20-tri(naphthyl-2-ylthio)- 5-thiolporphyrin","","- C74 H68.8 N4 S4 -","- C74 H68.8 N4 S4 -","- C296 H275.2 N16 S16 -","4","1","","Kielmann, Marc; Flanagan, Keith J.; Norvaiša, Karolis; Intrieri, Daniela; Senge, Mathias O.","Synthesis of a Family of Highly Substituted Porphyrin Thioethers via Nitro Displacement in 2,3,7,8,12,13,17,18-Octaethyl-5,10,15,20-tetranitroporphyrin.","The Journal of organic chemistry","2017","82","10","5122","5134","10.1021/acs.joc.7b00328","","x-ray","1.54178","CuKα","","0.0944","0.0678","","","0.1843","0.2054","","","","","","1.026","","","","has coordinates,has disorder","197460","2020-10-21","18:00:00",""
"4032497","9.5646","0.0004","23.0982","0.0009","14.9997","0.0006","90","","93.453","0.002","90","","3307.8","0.2","100","","100.01","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","[2,3,7,8,12,13,17,18-octaethyl-5,10-dinitroporphyrinato] nickel(II)","","- C36 H42 N6 Ni O4 -","- C36 H42 N6 Ni O4 -","- C144 H168 N24 Ni4 O16 -","4","1","","Kielmann, Marc; Flanagan, Keith J.; Norvaiša, Karolis; Intrieri, Daniela; Senge, Mathias O.","Synthesis of a Family of Highly Substituted Porphyrin Thioethers via Nitro Displacement in 2,3,7,8,12,13,17,18-Octaethyl-5,10,15,20-tetranitroporphyrin.","The Journal of organic chemistry","2017","82","10","5122","5134","10.1021/acs.joc.7b00328","","x-ray","1.54178","CuKα","","0.0533","0.0451","","","0.1176","0.124","","","","","","1.041","","","","has coordinates,has disorder","197460","2020-10-21","18:00:00",""
"4032498","12.7085","0.0006","10.9353","0.0005","23.2462","0.0011","90","","92.6748","0.0015","90","","3227","0.3","100","","99.99","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","2,3,7,8,12,13,17,18-octaethyl-5,20-dinitroporphyrin","","- C36 H44 N6 O4 -","- C36 H44 N6 O4 -","- C144 H176 N24 O16 -","4","1","","Kielmann, Marc; Flanagan, Keith J.; Norvaiša, Karolis; Intrieri, Daniela; Senge, Mathias O.","Synthesis of a Family of Highly Substituted Porphyrin Thioethers via Nitro Displacement in 2,3,7,8,12,13,17,18-Octaethyl-5,10,15,20-tetranitroporphyrin.","The Journal of organic chemistry","2017","82","10","5122","5134","10.1021/acs.joc.7b00328","","x-ray","0.71073","MoKα","","0.0761","0.0471","","","0.103","0.1159","","","","","","1.033","","","","has coordinates","197460","2020-10-21","18:00:00",""
"4032499","9.6015","0.0005","13.6688","0.0008","13.7637","0.0008","101.568","0.003","106.044","0.002","104.705","0.002","1606.37","0.16","100","","99.99","","","","","","","","","4","P -1","-P 1","2","","2,3,7,8,12,13,17,18-octaethyl-5,15-dinitroporphyrin","","- C36 H44 N6 O4 -","- C36 H44 N6 O4 -","- C72 H88 N12 O8 -","2","1","","Kielmann, Marc; Flanagan, Keith J.; Norvaiša, Karolis; Intrieri, Daniela; Senge, Mathias O.","Synthesis of a Family of Highly Substituted Porphyrin Thioethers via Nitro Displacement in 2,3,7,8,12,13,17,18-Octaethyl-5,10,15,20-tetranitroporphyrin.","The Journal of organic chemistry","2017","82","10","5122","5134","10.1021/acs.joc.7b00328","","x-ray","0.71073","MoKα","","0.0992","0.048","","","0.0995","0.1167","","","","","","1.001","","","","has coordinates","197460","2020-10-21","18:00:00",""
"4032500","8.6656","0.0011","13.9561","0.0017","27.365","0.003","90","","90","","90","","3309.5","0.7","100","","100","","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","2,3,7,8,12,13,17,18-octaethyl-5,10,15-trinitroporphyrin","","- C36 H43 N7 O6 -","- C36 H43 N7 O6 -","- C144 H172 N28 O24 -","4","1","","Kielmann, Marc; Flanagan, Keith J.; Norvaiša, Karolis; Intrieri, Daniela; Senge, Mathias O.","Synthesis of a Family of Highly Substituted Porphyrin Thioethers via Nitro Displacement in 2,3,7,8,12,13,17,18-Octaethyl-5,10,15,20-tetranitroporphyrin.","The Journal of organic chemistry","2017","82","10","5122","5134","10.1021/acs.joc.7b00328","","x-ray","0.71073","MoKα","","0.0482","0.0411","","","0.0966","0.1","","","","","","1.058","","","","has coordinates","197460","2020-10-21","18:00:00",""
"4032501","9.8115","0.0005","13.4789","0.0006","22.6671","0.0015","90","","99.671","0.005","90","","2955.1","0.3","180.01","0.1","180.01","0.1","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","","","- C17 H16 O6 -","- C17 H16 O6 -","- C136 H128 O48 -","8","2","","Lv, Leiyang; Snider, Barry B.; Li, Zhiping","Total Synthesis and Structure Revision of (±)-Clavilactone D Through Selective Cyclization of an α,β-Dicarbonyl Peroxide.","The Journal of organic chemistry","2017","82","10","5487","5491","10.1021/acs.joc.7b00693","","","0.7107","MoKα","","0.1074","0.0603","","","0.128","0.1583","","","","","","1.056","","","","has coordinates","197453","2020-10-21","18:00:00",""
"4032502","13.8582","0.0014","8.4793","0.0008","17.1636","0.0017","90","","94.026","0.002","90","","2011.9","0.3","120","2","120","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C10 H10 F N O4 -","- C10 H10 F N O4 -","- C80 H80 F8 N8 O32 -","8","2","","Motornov, Vladimir A.; Muzalevskiy, Vasiliy M.; Tabolin, Andrey A.; Novikov, Roman A.; Nelyubina, Yulia V.; Nenajdenko, Valentine G.; Ioffe, Sema L.","Radical Nitration-Debromination of α-Bromo-α-fluoroalkenes as a Stereoselective Route to Aromatic α-Fluoronitroalkenes-Functionalized Fluorinated Building Blocks for Organic Synthesis.","The Journal of organic chemistry","2017","","","","","10.1021/acs.joc.7b00578","","","0.71073","MoKα","","0.0775","0.057","","","0.1617","0.181","","","","","","1.045","","","","has coordinates,has disorder","196639","2020-10-21","18:00:00",""
"4032503","9.7574","0.0007","9.8733","0.0008","10.1948","0.0009","74.937","0.003","61.753","0.002","76.281","0.002","827.9","0.12","296","2","296","2","","","","","","","","3","P -1","-P 1","2","","","","- C21 H17 N3 -","- C21 H17 N3 -","- C42 H34 N6 -","2","1","","Huang, Kai; Sheng, Guorong; Lu, Ping; Wang, Yanguang","From 1-Sulfonyl-4-aryl-1,2,3-triazoles to 1-Allenyl-5-aryl-1,2,3-triazoles.","The Journal of organic chemistry","2017","82","10","5294","5300","10.1021/acs.joc.7b00627","","","0.71073","MoKα","","0.1122","0.0545","","","0.1155","0.1624","","","","","","1.004","","","","has coordinates","197457","2020-10-21","18:00:00",""
"4032504","9.6673","0.0007","10.8096","0.0008","11.3855","0.0009","99.155","0.006","97.058","0.006","106.058","0.006","1111.19","0.15","170","","170","","","","","","","","","4","P -1","-P 1","2","","","","- C29 H20 F N3 -","- C29 H20 F N3 -","- C58 H40 F2 N6 -","2","1","","Huang, Kai; Sheng, Guorong; Lu, Ping; Wang, Yanguang","From 1-Sulfonyl-4-aryl-1,2,3-triazoles to 1-Allenyl-5-aryl-1,2,3-triazoles.","The Journal of organic chemistry","2017","82","10","5294","5300","10.1021/acs.joc.7b00627","","","0.71073","MoKα","","0.0603","0.0429","","","0.0955","0.1085","","","","","","1.039","","","","has coordinates","197457","2020-10-21","18:00:00",""
"4032505","6.1641","0.0003","17.7996","0.0009","21.8234","0.0012","90","","90","","90","","2394.4","0.2","296","2","296","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C28 H25 N O4 -","- C28 H25 N O4 -","- C112 H100 N4 O16 -","4","1","","El Bouakher, Abderrahman; Tasserie, Jordan; Le Goff, Ronan; Lhoste, Jérôme; Martel, Arnaud; Comesse, Sébastien","Chemo-, Regio-, and Stereoselective Synthesis of Polysusbtituted Oxazolo[3,2-d][1,4]oxazepin-5(3H)ones via a Domino oxa-Michael/aza-Michael/Williamson Cycloetherification Sequence.","The Journal of organic chemistry","2017","82","11","5798","5809","10.1021/acs.joc.7b00629","","","0.71073","MoKα","","0.0994","0.0472","","","0.1109","0.1324","","","","","","1.011","","","","has coordinates","197470","2020-10-21","18:00:00",""
"4032506","6.1649","0.0002","11.6215","0.0005","15.8461","0.0006","108.224","0.002","94.768","0.002","100.713","0.002","1047.35","0.07","296","2","296","2","","","","","","","","4","P -1","-P 1","2","","","","- C24 H25 N O4 -","- C24 H25 N O4 -","- C48 H50 N2 O8 -","2","1","","El Bouakher, Abderrahman; Tasserie, Jordan; Le Goff, Ronan; Lhoste, Jérôme; Martel, Arnaud; Comesse, Sébastien","Chemo-, Regio-, and Stereoselective Synthesis of Polysusbtituted Oxazolo[3,2-d][1,4]oxazepin-5(3H)ones via a Domino oxa-Michael/aza-Michael/Williamson Cycloetherification Sequence.","The Journal of organic chemistry","2017","82","11","5798","5809","10.1021/acs.joc.7b00629","","","0.71073","MoKα","","0.0844","0.0454","","","0.1033","0.121","","","","","","1.027","","","","has coordinates","197470","2020-10-21","18:00:00",""
"4032507","5.793","0.002","23.033","0.009","7.148","0.003","90","","102.186","0.012","90","","932.3","0.6","110","2","110","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C10 H10 N2 O2 -","- C10 H10 N2 O2 -","- C40 H40 N8 O8 -","4","1","","Yedage, Subhash Laxman; Bhanage, Bhalchandra M.","tert-Butyl Nitrite Mediated Synthesis of N-nitrosoamides, Carboxylic Acids, Benzocoumarins and Isocoumarins from Amides.","The Journal of organic chemistry","2017","","","","","10.1021/acs.joc.7b00570","","","0.71073","MoKα","","0.1319","0.1089","","","0.3017","0.3161","","","","","","1.061","","","","has coordinates","196658","2020-10-21","18:00:00",""
"4032508","9.4847","0.0019","13.027","0.003","13.207","0.003","89.49","0.03","88.15","0.03","84.53","0.03","1623.5","0.6","293","2","293","2","","","","","","","","4","P -1","-P 1","2","","","","- C17 H18 N4 S -","- C17 H18 N4 S -","- C68 H72 N16 S4 -","4","2","","Wang, Bingnan; Meng, Yinggao; Zhou, Yiming; Ren, Linning; Wu, Jie; Yu, Wenquan; Chang, Junbiao","Synthesis of 5-Amino and 3,5-Diamino Substituted 1,2,4-Thiadiazoles by I2-Mediated Oxidative N-S Bond Formation.","The Journal of organic chemistry","2017","","","","","10.1021/acs.joc.7b00814","","","0.71073","MoKα","","0.0703","0.0555","","","0.1667","0.1832","","","","","","1.153","","","","has coordinates","196695","2020-10-21","18:00:00",""
"4032509","9.426","0.0019","11.425","0.002","13.494","0.003","83.39","0.03","72.61","0.03","71.28","0.03","1313.1","0.6","100","2","100","2","","","","","","","","6","P -1","-P 1","2","","","","- C25 H24 Br Cl2 N3 O6 -","- C25 H24 Br Cl2 N3 O6 -","- C50 H48 Br2 Cl4 N6 O12 -","2","1","","Auria-Luna, Fernando; Marqués-López, Eugenia; Gimeno, M Concepción; Heiran, Roghayeh; Mohammadi, Somayeh; Herrera, Raquel P.","Asymmetric Organocatalytic Synthesis of Substituted Chiral 1,4-Dihydropyridine Derivatives.","The Journal of organic chemistry","2017","82","11","5516","5523","10.1021/acs.joc.7b00176","","","0.71073","MoKα","","0.0259","0.0228","","","0.0546","0.056","","","","","","1.031","","","","has coordinates","197468","2020-10-21","18:00:00",""
"4032510","11.9417","0.0007","19.9855","0.0012","13.5","0.0011","90","","114.978","0.001","90","","2920.6","0.3","100","2","100","2","","","","","","","","3","P 1 21/n 1","-P 2yn","14","triple[5]helicene","benzo[c]naphtho[2,1-l]phenanthro[3,4-g]chrysene","","- C43 H26 Cl2 -","- C43 H26 Cl2 -","- C172 H104 Cl8 -","4","1","","Saito, Hiromu; Uchida, Akira; Watanabe, Soichiro","Synthesis of a Three-Bladed Propeller-Shaped Triple [5]Helicene.","The Journal of organic chemistry","2017","82","11","5663","5668","10.1021/acs.joc.7b00486","","","0.71073","MoKα","","0.0835","0.0485","","","0.1075","0.1227","","","","","","1.019","","","","has coordinates","197469","2020-10-21","18:00:00",""
"4032511","28.8531","0.0006","28.8531","0.0006","10.2856","0.0002","90","","90","","90","","8562.8","0.3","200","2","200","2","","","","","","","","7","I 4","I 4","79","","","","- C38 H40 Cl N2 O2 Rh S -","- C38 H40 Cl N2 O2 Rh S -","- C304 H320 Cl8 N16 O16 Rh8 S8 -","8","1","","Zheng, Long-Sheng; Llopis, Quentin; Echeverria, Pierre-Georges; Férard, Charlène; Guillamot, Gérard; Phansavath, Phannarath; Ratovelomanana-Vidal, Virginie","Asymmetric Transfer Hydrogenation of (Hetero)arylketones with Tethered Rh(III)-N-(p-Tolylsulfonyl)-1,2-diphenylethylene-1,2-diamine Complexes: Scope and Limitations.","The Journal of organic chemistry","2017","82","11","5607","5615","10.1021/acs.joc.7b00436","","","0.71073","MoKα","","0.0724","0.0522","","","0.111","0.1212","","","","","","1.06","","","","has coordinates","197471","2020-10-21","18:00:00",""
"4032512","13.23","0.003","18.199","0.004","21.746","0.007","112.842","0.007","105.02","0.007","95.223","0.006","4551","2","100","2","100","2","","","","","","","","6","P -1","-P 1","2","","","","- C150.5 H146.5 Cl19.5 N34 O8 Zn2 -","- C150.5 H146.5 Cl19.5 N34 O8 Zn2 -","- C150.5 H146.5 Cl19.5 N34 O8 Zn2 -","1","0.5","","Schoepff, Laetitia; Kocher, Lucas; Durot, Stéphanie; Heitz, Valérie","Chemically Induced Breathing of Flexible Porphyrinic Covalent Cages.","The Journal of organic chemistry","2017","82","11","5845","5851","10.1021/acs.joc.7b00698","","","0.71073","MoKα","","0.1431","0.1146","","","0.3334","0.3505","","","","","","2.389","","","","has coordinates,has disorder","197466","2020-10-21","18:00:00",""
"4032513","7.85","0.002","9.9","0.003","18.766","0.005","90","","90","","90","","1458.4","0.7","113","","113","","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C16 H20 O Si -","- C16 H20 O Si -","- C64 H80 O4 Si4 -","4","1","","Koga, Shinya; Ueki, Shuhei; Shimada, Masaki; Ishii, Ryoma; Kurihara, Yu; Yamanoi, Yoshinori; Yuasa, Junpei; Kawai, Tsuyoshi; Uchida, Taka-Aki; Iwamura, Munetaka; Nozaki, Koichi; Nishihara, Hiroshi","Access to Chiral Silicon Centers for Application to Circularly Polarized Luminescence Materials.","The Journal of organic chemistry","2017","82","12","6108","6117","10.1021/acs.joc.7b00583","","","0.7107","MoKα","","","0.0487","","","","0.1108","","","","","","1.055","","","","has coordinates","199587","2020-10-21","18:00:00",""
"4032514","13.1588","0.0018","13.1443","0.0018","19.143","0.003","90","","94.542","0.004","90","","3300.6","0.8","296","2","296","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C19 H12 Br N O4 -","- C19 H12 Br N O4 -","- C152 H96 Br8 N8 O32 -","8","1","","Zhou, Rong-Rong; Cai, Qun; Li, Deng-Kui; Zhuang, Shi-Yi; Wu, Yan-Dong; Wu, An-Xin","Acid-Promoted Multicomponent Tandem Cyclization to Synthesize Fully Substituted Oxazoles via Robinson-Gabriel-Type Reaction.","The Journal of organic chemistry","2017","82","12","6450","6456","10.1021/acs.joc.7b00763","","","0.71073","MoKα","","0.0748","0.0414","","","0.0973","0.1103","","","","","","1.017","","","","has coordinates","200708","2020-10-21","18:00:00",""
"4032515","7.8331","0.0019","11.78","0.003","12.011","0.003","82.353","0.004","82.268","0.004","73.792","0.004","1049.2","0.5","296","2","296","2","","","","","","","","6","P -1","-P 1","2","","","","- C20 H15 Br Cl3 N O5 -","- C20 H15 Br Cl3 N O5 -","- C40 H30 Br2 Cl6 N2 O10 -","2","1","","Zhou, Rong-Rong; Cai, Qun; Li, Deng-Kui; Zhuang, Shi-Yi; Wu, Yan-Dong; Wu, An-Xin","Acid-Promoted Multicomponent Tandem Cyclization to Synthesize Fully Substituted Oxazoles via Robinson-Gabriel-Type Reaction.","The Journal of organic chemistry","2017","82","12","6450","6456","10.1021/acs.joc.7b00763","","","0.71073","MoKα","","0.0736","0.0438","","","0.1313","0.1494","","","","","","0.979","","","","has coordinates","200708","2020-10-21","18:00:00",""
"4032516","8.6175","0.0002","12.9014","0.0004","19.941","0.0007","90","","90","","90","","2217","0.12","298","2","298","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C23 H22 N2 O3 S2 -","- C23 H22 N2 O3 S2 -","- C92 H88 N8 O12 S8 -","4","1","","Kennington, Stuart C. D.; Ferré, Mònica; Romo, Juan M.; Romea, Pedro; Urpí, Fèlix; Font-Bardia, Mercè","Diastereoselective and Catalytic α-Alkylation of Chiral N-Acyl Thiazolidinethiones with Stable Carbocationic Salts.","The Journal of organic chemistry","2017","","","","","10.1021/acs.joc.7b00657","","","0.71073","MoKα","","0.0705","0.0474","","","0.106","0.1202","","","","","","1.069","","","","has coordinates","197005","2020-10-21","18:00:00",""
"4032517","8.7462","0.0002","12.0379","0.0003","17.0407","0.0005","90","","90","","90","","1794.15","0.08","293","2","293","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C18 H25 N O S2 -","- C18 H25 N O S2 -","- C72 H100 N4 O4 S8 -","4","1","","Kennington, Stuart C. D.; Ferré, Mònica; Romo, Juan M.; Romea, Pedro; Urpí, Fèlix; Font-Bardia, Mercè","Diastereoselective and Catalytic α-Alkylation of Chiral N-Acyl Thiazolidinethiones with Stable Carbocationic Salts.","The Journal of organic chemistry","2017","","","","","10.1021/acs.joc.7b00657","","","0.71073","MoKα","","0.0677","0.0638","","","0.1529","0.157","","","","","","1.039","","","","has coordinates","197006","2020-10-21","18:00:00",""
"4032518","5.65117","0.00009","11.07138","0.00012","29.0073","0.0004","90","","90","","90","","1814.88","0.04","293","2","293","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C17 H29 N O4 -","- C17 H29 N O4 -","- C68 H116 N4 O16 -","4","1","","Ruysbergh, Ewout; Van Hecke, Kristof; Stevens, Christian V.; De Kimpe, Norbert; Mangelinckx, Sven","Synthesis of 1,4-Oxazepane-2,5-diones via Cyclization of Rotationally Restricted Amino Acid Precursors and Structural Reassignment of Serratin.","The Journal of organic chemistry","2017","82","12","6210","6222","10.1021/acs.joc.7b00790","","x-ray","1.54184","CuKα","","0.0617","0.0531","","","0.1487","0.1624","","","","","","1.044","","","","has coordinates,has disorder","200714","2020-10-21","18:00:00",""
"4032519","16.0893","0.0015","13.5964","0.0011","7.3456","0.0008","90","","90.462","0.006","90","","1606.8","0.3","100","2","100","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C14 H11 Cl F N2 O7 -","- C14 H11 Cl F N2 O7 -","- C56 H44 Cl4 F4 N8 O28 -","4","1","","Moloney, Harold; Magnus, Nicholas A.; Buser, Jonas Y.; Embry, Matthew C.","Cyclization of Methyl-Coumalate-Derived Methyl 1-Benzamido-6-oxo-1,6-dihydropyridine-3-carboxylates: Assembly of the [1,2,4]Triazolo[1,5-a]pyridine Ring System.","The Journal of organic chemistry","2017","82","12","6279","6288","10.1021/acs.joc.7b00873","","","1.54178","CuKα","","0.1973","0.1824","","","0.4812","0.4891","","","","","","1.082","","","","has coordinates","200715","2020-10-21","18:00:00",""
"4032520","8.5498","0.0009","4.0298","0.0006","30.129","0.003","90","","96.739","0.004","90","","1030.9","0.2","302","2","302","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C9 H8 Br N O5 S0 -","- C9 H8 Br N O5 -","- C36 H32 Br4 N4 O20 -","4","1","","Lv, Leiyang; Snider, Barry B.; Li, Zhiping","Total Synthesis and Structure Revision of (±)-Clavilactone D Through Selective Cyclization of an α,β-Dicarbonyl Peroxide.","The Journal of organic chemistry","2017","82","10","5487","5491","10.1021/acs.joc.7b00693","","","0.71073","MoKα","","","0.0791","","","0.2192","0.2303","","","","","","1.041","","","","has coordinates","197319","2020-10-21","18:00:00",""
"4032521","5.8996","0.0005","8.2125","0.0007","14.9493","0.0014","90","","92.622","0.003","90","","723.54","0.11","103","2","103","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C19 H14 N2 O -","- C19 H14 N2 O -","- C38 H28 N4 O2 -","2","0.5","","Zhang, Jian; Lu, Xiunan; Li, Tingyan; Wang, Shanlu; Zhong, Guofu","Copper-Catalyzed Oxidative Cyclization of 2-Amino-azaarenes with Lignin Models: Synthesis of 3-Phenoxy Imidazo Heterocycles.","The Journal of organic chemistry","2017","82","10","5222","5229","10.1021/acs.joc.7b00480","","","0.71073","MoKα","","0.0988","0.0762","","","0.1748","0.1927","","","","","","1.045","","","","has coordinates,has disorder","197320","2020-10-21","18:00:00",""
"4032522","16.3855","0.0002","7.3631","0.00009","18.7465","0.0003","90","","90","","90","","2261.73","0.05","99.9","0.2","99.9","0.2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C11 H11 I N2 -","- C11 H11 I N2 -","- C88 H88 I8 N16 -","8","1","","Beyeh, Ngong Kodiah; Jo, Hyun Hwa; Kolesnichenko, Igor; Pan, Fangfang; Kalenius, Elina; Anslyn, Eric V.; Ras, Robin H. A.; Rissanen, Kari","Recognition of Viologen Derivatives in Water by N-Alkyl Ammonium Resorcinarene Chlorides.","The Journal of organic chemistry","2017","82","10","5198","5203","10.1021/acs.joc.7b00449","","x-ray","0.71073","MoKα","","0.0369","0.0306","","","0.0647","0.0667","","","","","","1.183","","","","has coordinates","197321","2020-10-21","18:00:00",""
"4032523","10.8211","0.0002","7.3341","0.0002","18.3161","0.0004","90","","101.919","0.002","90","","1422.28","0.06","100","1","100","1","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","","","- C19 H16 O3 -","- C19 H16 O3 -","- C76 H64 O12 -","4","1","","Smith, Robert J.; Nhu, Duong; Clark, Mitchell R.; Gai, Sinan; Lucas, Nigel T.; Hawkins, Bill C.","Synthesis of Chromones from 1,1-Diacylcyclopropanes: Toward the Synthesis of Bromophycoic Acid E.","The Journal of organic chemistry","2017","82","10","5317","5327","10.1021/acs.joc.7b00648","","","1.54184","CuKα","","0.0419","0.0401","","","0.1097","0.1117","","","","","","1.045","","","","has coordinates","197322","2020-10-21","18:00:00",""
"4032524","13.3138","0.0014","18.7196","0.0019","4.0464","0.0005","90","","90","","90","","1008.48","0.19","100","","100","","","","","","","","","4","P n a 21","P 2c -2n","33","","","","- C14 H10 N2 O -","- C14 H10 N2 O -","- C56 H40 N8 O4 -","4","1","","Lévesque, Éric; Bechara, William S.; Constantineau-Forget, Léa; Pelletier, Guillaume; Rachel, Natalie M.; Pelletier, Joelle N.; Charette, André B","General C-H Arylation Strategy for the Synthesis of Tunable Visible Light-Emitting Benzo[a]imidazo[2,1,5-c,d]indolizine Fluorophores.","The Journal of organic chemistry","2017","82","10","5046","5067","10.1021/acs.joc.6b02928","","x-ray","1.34139","GaKα","","0.059","0.0542","","","0.1391","0.1461","","","","","","1.094","","","","has coordinates","197323","2020-10-21","18:00:00",""
"4032525","11.1487","0.0005","13.6771","0.0007","15.266","0.0007","71.218","0.002","75.407","0.002","73.308","0.002","2078.07","0.17","298","2","298","2","","","","","","","","4","P -1","-P 1","2","","","","- C27 H23 N O3 -","- C27 H23 N O3 -","- C108 H92 N4 O12 -","4","2","","Tulichala, R. N. Prasad; Shankar, Mallepalli; Swamy, K. C. Kumara","Ruthenium-Catalyzed Oxidative Annulation and Hydroarylation of Chromene-3-carboxamides with Alkynes via Double C-H Functionalization.","The Journal of organic chemistry","2017","82","10","5068","5079","10.1021/acs.joc.7b00008","","","0.71073","MoKα","","0.1112","0.0528","","","0.1119","0.1345","","","","","","1.016","","","","has coordinates","197324","2020-10-21","18:00:00",""
"4032526","10.93","0.004","14.661","0.005","14.878","0.005","90","","98.11","0.007","90","","2360.3","1.4","298","2","298","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C31 H23 N O2 -","- C31 H23 N O2 -","- C124 H92 N4 O8 -","4","1","","Tulichala, R. N. Prasad; Shankar, Mallepalli; Swamy, K. C. Kumara","Ruthenium-Catalyzed Oxidative Annulation and Hydroarylation of Chromene-3-carboxamides with Alkynes via Double C-H Functionalization.","The Journal of organic chemistry","2017","82","10","5068","5079","10.1021/acs.joc.7b00008","","","0.71073","MoKα","","0.1164","0.0763","","","0.1458","0.1623","","","","","","1.151","","","","has coordinates","197324","2020-10-21","18:00:00",""
"4032527","11.3","0.002","23.294","0.006","16.578","0.004","90","","94.778","0.008","90","","4348.5","1.7","298","2","298","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C53 H49 N O3 -","- C53 H49 N O3 -","- C212 H196 N4 O12 -","4","1","","Tulichala, R. N. Prasad; Shankar, Mallepalli; Swamy, K. C. Kumara","Ruthenium-Catalyzed Oxidative Annulation and Hydroarylation of Chromene-3-carboxamides with Alkynes via Double C-H Functionalization.","The Journal of organic chemistry","2017","82","10","5068","5079","10.1021/acs.joc.7b00008","","","0.71073","MoKα","","0.1145","0.0668","","","0.1354","0.1527","","","","","","1.072","","","","has coordinates","197324","2020-10-21","18:00:00",""
"4032528","10.3589","0.0005","17.6488","0.0006","36.7182","0.0015","90","","91.708","0.002","90","","6709.9","0.5","298","2","298","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C45 H33 N O2 -","- C45 H33 N O2 -","- C360 H264 N8 O16 -","8","2","","Tulichala, R. N. Prasad; Shankar, Mallepalli; Swamy, K. C. Kumara","Ruthenium-Catalyzed Oxidative Annulation and Hydroarylation of Chromene-3-carboxamides with Alkynes via Double C-H Functionalization.","The Journal of organic chemistry","2017","82","10","5068","5079","10.1021/acs.joc.7b00008","","","0.71073","MoKα","","0.1308","0.0758","","","0.1354","0.1575","","","","","","1.168","","","","has coordinates","197324","2020-10-21","18:00:00",""
"4032529","10.847","0.0007","7.3231","0.0005","13.5873","0.0009","90","","95.06","0.002","90","","1075.08","0.12","296","2","296","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C24 H25 Br O3 -","- C24 H25 Br O3 -","- C48 H50 Br2 O6 -","2","1","","Li, Mingfeng; Guo, Xin; Zheng, Qing; Hu, Wenhao; Liu, Shunying","Enantioselective Multicomponent Reaction for Rapid Construction of 1,2,5-Triol Derivatives with Vicinal Chiral Centers.","The Journal of organic chemistry","2017","82","10","5212","5221","10.1021/acs.joc.7b00473","","","0.71073","MoKα","","0.0657","0.0424","","","0.083","0.0926","","","","","","1.04","","","","has coordinates","197325","2020-10-21","18:00:00",""
"4032530","12.0769","0.0016","6.0438","0.0008","14.3621","0.0018","90","","112.912","0.004","90","","965.6","0.2","296","2","296","2","","","","","","","","3","P 1 21 1","P 2yb","4","","","","- C24 H26 O3 -","- C24 H26 O3 -","- C48 H52 O6 -","2","1","","Li, Mingfeng; Guo, Xin; Zheng, Qing; Hu, Wenhao; Liu, Shunying","Enantioselective Multicomponent Reaction for Rapid Construction of 1,2,5-Triol Derivatives with Vicinal Chiral Centers.","The Journal of organic chemistry","2017","82","10","5212","5221","10.1021/acs.joc.7b00473","","","0.71073","MoKα","","0.0957","0.0523","","","0.0992","0.121","","","","","","1.037","","","","has coordinates","197326","2020-10-21","18:00:00",""
"4032531","8.2642","0.0002","8.2642","0.0002","59.668","0.004","90","","90","","90","","4075.1","0.3","294.3","0.1","294.3","0.1","","","","","","","","4","P 43 21 2","P 4nw 2abw","96","","","","- C24 H19 Cl O4 -","- C24 H19 Cl O4 -","- C192 H152 Cl8 O32 -","8","1","","Deng, Yu-Hua; Chu, Wen-Dao; Zhang, Xiang-Zhi; Yan, Xu; Yu, Ke-Yin; Yang, Liang-Liang; Huang, Hanmin; Fan, Chun-An","Cinchona Alkaloid Catalyzed Enantioselective [4 + 2] Annulation of Allenic Esters and in Situ Generated ortho-Quinone Methides: Asymmetric Synthesis of Functionalized Chromans.","The Journal of organic chemistry","2017","82","10","5433","5440","10.1021/acs.joc.7b00370","","","0.71073","MoKα","","0.0729","0.0565","","","0.1252","0.1365","","","","","","1.149","","","","has coordinates","197327","2020-10-21","18:00:00",""
"4032532","5.882","0.016","9","0.019","15.23","0.03","92.86","0.04","95.13","0.07","96.63","0.05","796","3","100","2","100","2","","","","","","","","4","P -1","-P 1","2","","","","- C18 H19 N3 S -","- C18 H19 N3 S -","- C36 H38 N6 S2 -","2","1","","Tumula, Nagaraju; Jatangi, Nagesh; Palakodety, Radha Krishna; Balasubramanian, Sridhar; Nakka, Mangarao","I2-Catalyzed Oxidative N-S Bond Formation: Metal-Free Regiospecific Synthesis of N-Fused and 3,4-Disubstituted 5-Imino-1,2,4-thiadiazoles.","The Journal of organic chemistry","2017","82","10","5310","5316","10.1021/acs.joc.7b00646","","","0.71073","MoKα","","0.0441","0.0401","","","0.0965","0.099","","","","","","1.069","","","","has coordinates","197328","2020-10-21","18:00:00",""
"4032533","7.5226","0.0013","8.7242","0.0015","10.8567","0.0019","70.464","0.003","74.325","0.003","73.849","0.003","632.52","0.19","294","2","294","2","","","","","","","","5","P -1","-P 1","2","","","","- C13 H13 N3 O S -","- C13 H13 N3 O S -","- C26 H26 N6 O2 S2 -","2","1","","Tumula, Nagaraju; Jatangi, Nagesh; Palakodety, Radha Krishna; Balasubramanian, Sridhar; Nakka, Mangarao","I2-Catalyzed Oxidative N-S Bond Formation: Metal-Free Regiospecific Synthesis of N-Fused and 3,4-Disubstituted 5-Imino-1,2,4-thiadiazoles.","The Journal of organic chemistry","2017","82","10","5310","5316","10.1021/acs.joc.7b00646","","","0.71073","MoKα","","0.0619","0.0487","","","0.1146","0.1223","","","","","","1.038","","","","has coordinates","197329","2020-10-21","18:00:00",""
"4032534","10.1059","0.0005","17.653","0.0007","9.9226","0.0004","90","","112.424","0.005","90","","1636.34","0.14","293","2","293","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C19 H19 N3 O -","- C19 H19 N3 O -","- C76 H76 N12 O4 -","4","1","","Ding, Xiaomei; Huang, Manna; Yi, Zhou; Du, Dongchen; Zhu, Xinhai; Wan, Yiqian","Room-Temperature CuI-Catalyzed Amination of Aryl Iodides and Aryl Bromides.","The Journal of organic chemistry","2017","82","10","5416","5423","10.1021/acs.joc.7b00290","","","1.54178","CuKα","","0.0501","0.0402","","","0.1035","0.1119","","","","","","1.041","","","","has coordinates","197330","2020-10-21","18:00:00",""
"4032535","9.8883","0.0007","16.9433","0.0011","17.7267","0.0012","89.88","0.004","76.345","0.004","89.937","0.004","2886","0.3","296","2","296","2","","","","","","","","4","P 1","P 1","1","","","","- C17 H17 N3 O -","- C17 H17 N3 O -","- C136 H136 N24 O8 -","8","8","","Mondal, Susmita; Samanta, Sadhanendu; Jana, Sourav; Hajra, Alakananda","(Diacetoxy)iodobenzene-Mediated Oxidative C-H Amination of Imidazopyridines at Ambient Temperature.","The Journal of organic chemistry","2017","82","8","4504","4510","10.1021/acs.joc.7b00564","","","0.71073","MoKα","","0.1948","0.091","","","0.2099","0.2778","","","","","","1.068","","","","has coordinates","197331","2020-10-21","18:00:00",""
"4032536","10.9429","0.0018","6.4395","0.0012","13.07","0.003","90","","102.48","0.006","90","","899.2","0.3","133","2","133","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C18 H30 O2 Si -","- C18 H30 O2 Si -","- C36 H60 O4 Si2 -","2","1","","Johnson, Trevor C.; Chin, Matthew R.; Siegel, Dionicio","Synthetic Route Development for the Laboratory Preparation of Eupalinilide E.","The Journal of organic chemistry","2017","82","9","4640","4653","10.1021/acs.joc.7b00266","","","0.71073","MoKα","","0.0926","0.0606","","","0.1078","0.1184","","","","","","1.062","","","","has coordinates","197332","2020-10-21","18:00:00",""
"4032537","8.9751","0.0004","17.186","0.0007","21.3036","0.0008","90","","90","","90","","3286","0.2","173","2","173","2","","","","","","","","7","P 21 21 21","P 2ac 2ab","19","","","","- C27 H34 Br Cl3 F6 N2 O3 -","- C27 H34 Br Cl3 F6 N2 O3 -","- C108 H136 Br4 Cl12 F24 N8 O12 -","4","1","","Jin, Qiaowen; Zheng, Changwu; Zhao, Gang; Zou, Gang","Bifunctional Quaternary Ammonium Salts Catalyzed Stereoselective Conjugate Addition of Oxindoles to Electron-Deficient β-Haloalkenes.","The Journal of organic chemistry","2017","82","9","4840","4850","10.1021/acs.joc.7b00571","","","1.54178","CuKα","","0.0583","0.0514","","","0.1324","0.1387","","","","","","1.041","","","","has coordinates","197333","2020-10-21","18:00:00",""
"4032538","10.9526","0.0007","11.6626","0.001","29.56","0.002","90","","90","","90","","3775.9","0.5","102","3","102","3","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","AKSIII_099","","- C15 H11 Br S -","- C15 H11 Br S -","- C180 H132 Br12 S12 -","12","3","","Simlandy, Amit Kumar; Mukherjee, Santanu","Catalytic Enantioselective Synthesis of 3,4-Unsubstituted Thiochromenes through Sulfa-Michael/Julia-Kocienski Olefination Cascade Reaction.","The Journal of organic chemistry","2017","82","9","4851","4858","10.1021/acs.joc.7b00579","","x-ray","0.71073","MoKα","","0.0842","0.0557","","","0.0797","0.0892","","","","","","0.998","","","","has coordinates","197334","2020-10-21","18:00:00",""
"4032539","5.3002","0.0002","15.1222","0.0007","10.5712","0.0005","90","","93.512","0.001","90","","845.7","0.06","100","1","100","1","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C18 H25 N O4 -","- C18 H25 N O4 -","- C36 H50 N2 O8 -","2","1","","Awada, Hawraà; Grison, Claire M.; Charnay-Pouget, Florence; Baltaze, Jean-Pierre; Brisset, François; Guillot, Régis; Robin, Sylvie; Hachem, Ali; Jaber, Nada; Naoufal, Daoud; Yazbeck, Ogaritte; Aitken, David J.","Conformational Effects through Hydrogen Bonding in a Constrained γ-Peptide Template: From Intraresidue Seven-Membered Rings to a Gel-Forming Sheet Structure.","The Journal of organic chemistry","2017","82","9","4819","4828","10.1021/acs.joc.7b00494","","x-ray","0.71073","MoKα","","0.033","0.0298","","","0.0676","0.0695","","","","","","1.037","","","","has coordinates","197335","2020-10-21","18:00:00",""
"4032540","9.7004","0.0006","10.2894","0.0005","21.5422","0.0011","84.863","0.004","88.794","0.005","65.035","0.006","1941.1","0.2","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","","","- C41 H70 Ni O2 P2 -","- C41 H70 Ni O2 P2 -","- C82 H140 Ni2 O4 P4 -","2","1","","Ding, Keying; Xu, Shi; Alotaibi, Rajeh; Paudel, Keshav; Reinheimer, Eric W.; Weatherly, Jessie","Nickel-Catalyzed Decarbonylation of Aromatic Aldehydes.","The Journal of organic chemistry","2017","82","9","4924","4929","10.1021/acs.joc.7b00284","","x-ray","0.71073","MoKα","","0.0747","0.0661","","","0.1847","0.1926","","","","","","1.025","","","","has coordinates,has disorder","197336","2020-10-21","18:00:00",""
"4032541","13.748","0.003","12.1123","0.0006","18.9","0.004","90","","142.47","0.04","90","","1917.2","1.8","293","2","293","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C18 H15 N3 O7 S -","- C18 H15 N3 O7 S -","- C72 H60 N12 O28 S4 -","4","1","","Venkateswarulu, Mangili; Kumar, Sunil; Ghosh, Subrata","Modified Atomic Orbital Overlap: Molecular Level Proof of the Nucleophilic Cleavage Propensity of Dinitrophenol-Based Probes.","The Journal of organic chemistry","2017","82","9","4713","4720","10.1021/acs.joc.7b00317","","x-ray","0.71073","MoKα","","0.0808","0.0632","","","0.1568","0.1676","","","","","","1.07","","","","has coordinates","197337","2020-10-21","18:00:00",""
"4032542","7.57183","0.0001","14.7939","0.0002","16.2756","0.0003","90","","90","","90","","1823.14","0.05","293","2","293","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C18 H15 N3 O7 S -","- C18 H15 N3 O7 S -","- C72 H60 N12 O28 S4 -","4","1","","Venkateswarulu, Mangili; Kumar, Sunil; Ghosh, Subrata","Modified Atomic Orbital Overlap: Molecular Level Proof of the Nucleophilic Cleavage Propensity of Dinitrophenol-Based Probes.","The Journal of organic chemistry","2017","82","9","4713","4720","10.1021/acs.joc.7b00317","","x-ray","0.71073","MoKα","","0.0468","0.0381","","","0.094","0.1002","","","","","","1.029","","","","has coordinates","197337","2020-10-21","18:00:00",""
"4032543","13.0527","0.0006","11.2475","0.0005","13.2498","0.0006","90","","108.361","0.005","90","","1846.18","0.15","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C18 H15 N3 O7 S -","- C18 H15 N3 O7 S -","- C72 H60 N12 O28 S4 -","4","1","","Venkateswarulu, Mangili; Kumar, Sunil; Ghosh, Subrata","Modified Atomic Orbital Overlap: Molecular Level Proof of the Nucleophilic Cleavage Propensity of Dinitrophenol-Based Probes.","The Journal of organic chemistry","2017","82","9","4713","4720","10.1021/acs.joc.7b00317","","x-ray","0.71073","MoKα","","0.0653","0.0488","","","0.137","0.1501","","","","","","1.121","","","","has coordinates","197337","2020-10-21","18:00:00",""
"4032544","9.6002","0.0003","13.5064","0.0006","14.3807","0.0007","91.541","0.004","90.982","0.003","93.835","0.003","1859.48","0.14","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C18 H15 N3 O7 S -","- C18 H15 N3 O7 S -","- C72 H60 N12 O28 S4 -","4","2","","Venkateswarulu, Mangili; Kumar, Sunil; Ghosh, Subrata","Modified Atomic Orbital Overlap: Molecular Level Proof of the Nucleophilic Cleavage Propensity of Dinitrophenol-Based Probes.","The Journal of organic chemistry","2017","82","9","4713","4720","10.1021/acs.joc.7b00317","","x-ray","1.54184","CuKα","","0.0452","0.0374","","","0.0966","0.1041","","","","","","1.049","","","","has coordinates","197337","2020-10-21","18:00:00",""
"4032545","8.1841","0.0003","31.9088","0.0012","7.3248","0.0004","90","","90.232","0.004","90","","1912.82","0.14","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C18 H15 N3 O7 S -","- C18 H15 N3 O7 S -","- C72 H60 N12 O28 S4 -","4","1","","Venkateswarulu, Mangili; Kumar, Sunil; Ghosh, Subrata","Modified Atomic Orbital Overlap: Molecular Level Proof of the Nucleophilic Cleavage Propensity of Dinitrophenol-Based Probes.","The Journal of organic chemistry","2017","82","9","4713","4720","10.1021/acs.joc.7b00317","","x-ray","1.54184","CuKα","","0.0712","0.0589","","","0.1616","0.1759","","","","","","1.039","","","","has coordinates","197337","2020-10-21","18:00:00",""
"4032546","7.5464","0.0007","9.5617","0.001","25.693","0.002","90","","90","","90","","1853.9","0.3","293","2","293","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C18 H15 N3 O7 S -","- C18 H15 N3 O7 S -","- C72 H60 N12 O28 S4 -","4","1","","Venkateswarulu, Mangili; Kumar, Sunil; Ghosh, Subrata","Modified Atomic Orbital Overlap: Molecular Level Proof of the Nucleophilic Cleavage Propensity of Dinitrophenol-Based Probes.","The Journal of organic chemistry","2017","82","9","4713","4720","10.1021/acs.joc.7b00317","","x-ray","0.71073","MoKα","","0.0676","0.0558","","","0.1415","0.1527","","","","","","1.062","","","","has coordinates","197337","2020-10-21","18:00:00",""
"4032547","8.7575","0.0012","10.7101","0.0014","10.7153","0.0014","77.067","0.002","72.812","0.002","87.327","0.002","935.6","0.2","296","2","296","2","","","","","","","","5","P -1","-P 1","2","","","","- C18 H20 Br N O4 -","- C18 H20 Br N O4 -","- C36 H40 Br2 N2 O8 -","2","1","","Li, Pan; Zhao, Jingjing; Li, Xinjian; Li, Fuwei","Alkali-Induced Ring-Opening of 2-Amidodihydrofuran and Manganese-Catalyzed Aerobic Dehydrogenation Annulation: Access to Functionalized Oxazole.","The Journal of organic chemistry","2017","82","9","4569","4577","10.1021/acs.joc.7b00112","","","0.71073","MoKα","","0.0632","0.045","","","0.0902","0.1143","","","","","","1.041","","","","has coordinates","197338","2020-10-21","18:00:00",""
"4032548","13.7908","0.0019","13.2366","0.0018","7.7897","0.0011","90","","100.818","0.002","90","","1396.7","0.3","296","2","296","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C14 H15 N O3 -","- C14 H15 N O3 -","- C56 H60 N4 O12 -","4","1","","Li, Pan; Zhao, Jingjing; Li, Xinjian; Li, Fuwei","Alkali-Induced Ring-Opening of 2-Amidodihydrofuran and Manganese-Catalyzed Aerobic Dehydrogenation Annulation: Access to Functionalized Oxazole.","The Journal of organic chemistry","2017","82","9","4569","4577","10.1021/acs.joc.7b00112","","","0.71073","MoKα","","0.0728","0.0555","","","0.1168","0.127","","","","","","1.011","","","","has coordinates","197339","2020-10-21","18:00:00",""
"4032549","21.3227","0.0007","31.9115","0.0012","32.7689","0.0013","90","","90","","90","","22297.2","1.4","173","2","173","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C148 H144 N34 O14 Zn2 -","- C148 H144 N34 O14 Zn2 -","- C592 H576 N136 O56 Zn8 -","4","0.5","","Schoepff, Laetitia; Kocher, Lucas; Durot, Stéphanie; Heitz, Valérie","Chemically Induced Breathing of Flexible Porphyrinic Covalent Cages.","The Journal of organic chemistry","2017","82","11","5845","5851","10.1021/acs.joc.7b00698","","","1.54178","CuKα","","0.0733","0.0556","","","0.1649","0.1737","","","","","","1.093","","","","has coordinates","197340","2020-10-21","18:00:00",""
"4032550","10.859","0.003","12.13","0.003","18.229","0.005","90","","90","","90","","2401.1","1.1","173.15","","173.15","","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C28 H24 N2 O4 S -","- C28 H24 N2 O4 S -","- C112 H96 N8 O16 S4 -","4","1","","Man, Ning-Ning; Wang, Jia-Qi; Zhang, Li-Ming; Wen, Li-Rong; Li, Ming","Chemo-, Regio-, and Stereoselective Construction of Core Skeleton of Furo[2,3-b]pyrrole via Multicomponent Bicyclization Reaction.","The Journal of organic chemistry","2017","82","11","5566","5573","10.1021/acs.joc.7b00371","","","0.71073","MoKα","","0.0457","0.0424","","","0.0822","0.0838","","","","","","1.103","","","","has coordinates","197341","2020-10-21","18:00:00",""
"4032551","10.377","0.001","14.517","0.001","18.313","0.002","85.74","0.01","72.95","0.01","68.68","0.01","2455.4","0.5","100","","100","","","","","","","","","8","P -1","-P 1","2","","","","- C79.63 H13.86 Cl0.77 F6 Li N O4 S2 -","- C79.626 H13.855 Cl0.771 F6 Li N O4 S2 -","- C159.252 H27.71 Cl1.542 F12 Li2 N2 O8 S4 -","2","1","","Okada, Hiroshi; Kawakami, Hiroki; Aoyagi, Shinobu; Matsuo, Yutaka","Crystallographic Structure Determination of Both [5,6]- and [6,6]-Isomers of Lithium-Ion-Containing Diphenylmethano[60]fullerene.","The Journal of organic chemistry","2017","82","11","5868","5872","10.1021/acs.joc.7b00730","","","0.41289","synchrotron","","0.066","0.0653","","","0.1823","0.1833","","","","","","1.077","","","","has coordinates,has disorder","197342","2020-10-21","18:00:00",""
"4032552","8.4064","0.0004","9.1017","0.0004","12.6039","0.0006","92.23","0.001","106.615","0.001","114.127","0.001","829.88","0.07","296","2","296","2","","","","","","","","4","P -1","-P 1","2","","","","- C19 H17 N3 O3 -","- C19 H17 N3 O3 -","- C38 H34 N6 O6 -","2","1","","Zhang, Dan; Kang, Zhenghui; Hu, Wenhao","Trapping of Transient Zwitterionic Intermediates by N-Acylpyridinium Salts: A Palladium-Catalyzed Diastereoselective Three-Component Reaction.","The Journal of organic chemistry","2017","82","11","5952","5958","10.1021/acs.joc.7b00560","","","0.71073","MoKα","","0.0945","0.0875","","","0.2346","0.2555","","","","","","1.152","","","","has coordinates","197343","2020-10-21","18:00:00",""
"4032553","9.8783","0.0011","19.628","0.002","20.062","0.002","90","","100.649","0.002","90","","3822.9","0.7","296","2","296","2","","","","","","","","3","C 1 2/c 1","-C 2yc","15","","","","- C25 H18 N2 -","- C25 H18 N2 -","- C200 H144 N16 -","8","1","","Zhu, Yan-Shuo; Yuan, Bei-Bei; Guo, Jiao-Mei; Jin, Shao-Jing; Dong, Hua-Hui; Wang, Qi-Lin; Bu, Zhan-Wei","A Copper-Catalyzed Friedel-Crafts Alkylation/Cyclization Sequence: an Approach to Functionalized Pyrrolo[1,2-a]indole Spirooxindoles and 9H-Pyrrolo[1,2-a]indoles.","The Journal of organic chemistry","2017","82","11","5669","5677","10.1021/acs.joc.7b00488","","","0.71073","MoKα","","0.0746","0.0426","","","0.1035","0.1207","","","","","","1.017","","","","has coordinates","197344","2020-10-21","18:00:00",""
"4032554","10.9997","0.0005","25.0507","0.0012","13.0048","0.0006","90","","112.42","0.003","90","","3312.6","0.3","120","2","120","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C84 H80 N6 O8 -","- C84 H80 N6 O8 -","- C168 H160 N12 O16 -","2","0.5","","Jarvis, Tia S.; Collins, Carleton G.; Dempsey, Janel M.; Oliver, Allen G.; Smith, Bradley D.","Synthesis and Structure of 3,3-Dimethylindoline Squaraine Rotaxanes.","The Journal of organic chemistry","2017","82","11","5819","5825","10.1021/acs.joc.7b00655","","","1.54184","CuKα","","0.0896","0.0779","","","0.2227","0.2358","","","","","","1.028","","","","has coordinates,has disorder","197345","2020-10-21","18:00:00",""
"4032555","19.7868","0.0003","19.7868","0.0003","10.0428","0.0003","90","","90","","90","","3931.93","0.14","130","","130","","","","","","","","","4","I -4","I -4","82","","","","- C25 H22 N2 O -","- C25 H22 N2 O -","- C200 H176 N16 O8 -","8","1","","Schlegel, Marcel; Schneider, Christoph","Lewis Acid-Catalyzed Nucleophilic Addition of Indoles to in Situ-Generated 2-Amidoallyl Cations.","The Journal of organic chemistry","2017","82","11","5986","5992","10.1021/acs.joc.7b00791","","","0.71073","MoKα","","0.0638","0.0475","","","0.0794","0.0841","","","","","","1.081","","","","has coordinates","197346","2020-10-21","18:00:00",""
"4032556","14.2252","0.0008","17.5063","0.0011","19.1686","0.0011","90","","90","","90","","4773.6","0.5","200","2","200","2","","","","","","","","8","P 21 21 21","P 2ac 2ab","19","","","","- C40 H40 Cl10 F N2 O2 Rh S -","- C40 H40 Cl10 F N2 O2 Rh S -","- C160 H160 Cl40 F4 N8 O8 Rh4 S4 -","4","1","","Zheng, Long-Sheng; Llopis, Quentin; Echeverria, Pierre-Georges; Férard, Charlène; Guillamot, Gérard; Phansavath, Phannarath; Ratovelomanana-Vidal, Virginie","Asymmetric Transfer Hydrogenation of (Hetero)arylketones with Tethered Rh(III)-N-(p-Tolylsulfonyl)-1,2-diphenylethylene-1,2-diamine Complexes: Scope and Limitations.","The Journal of organic chemistry","2017","82","11","5607","5615","10.1021/acs.joc.7b00436","","","0.71073","MoKα","","0.0604","0.049","","","0.1332","0.1417","","","","","","1.03","","","","has coordinates,has disorder","197347","2020-10-21","18:00:00",""
"4032557","8.325","0.003","11.876","0.004","14.568","0.005","82.969","0.012","82.6","0.011","77.932","0.011","1390","0.8","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","","","- C27 H37 Cl2 N5 O4 -","- C27 H37 Cl2 N5 O4 -","- C54 H74 Cl4 N10 O8 -","2","1","","Kheria, Sanjeev; Rayavarapu, Suresh; Kotmale, Amol S.; Shinde, Dinesh R.; Gonnade, Rajesh G.; Sanjayan, Gangadhar J.","Coumarin-Appended Stable Fluorescent Self-Complementary Quadruple-Hydrogen-Bonded Molecular Duplexes.","The Journal of organic chemistry","2017","","","","","10.1021/acs.joc.7b01249","","","0.71073","MoKα","","0.2252","0.1561","","","0.3956","0.4386","","","","","","1.406","","","","has coordinates,has disorder","197583","2020-10-21","18:00:00",""
"4032558","8.032","0.002","6.421","0.002","19.345","0.004","90","0.03","96.34","0.03","90","0.03","991.6","0.4","173","2","173","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C11 H11 N3 -","- C11 H11 N3 -","- C44 H44 N12 -","4","1","","Peterson, Joshua P.; Geraskina, Margarita R.; Zhang, Rui; Winter, Arthur H.","Effect of Substituents on the Bond Strength of Air-Stable Dicyanomethyl Radical Thermochromes.","The Journal of organic chemistry","2017","82","12","6497","6501","10.1021/acs.joc.7b01188","","","1.54184","","","0.0328","0.0317","","","0.0865","0.0876","","","","","","1.045","","","","has coordinates","200710","2020-10-21","18:00:00",""
"4032559","15.3912","0.0006","5.576","0.003","18.214","","90","0.012","92.26","","90","","1561.9","0.8","298","2","298","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C19 H14 N4 O -","- C19 H14 N4 O -","- C76 H56 N16 O4 -","4","1","","Kumar, Pradeep; Aggarwal, Trapti; Verma, Akhilesh K.","Chemoselective Azidation of o-Alkynylaldehydes over [3 + 2] Cycloaddition and Subsequent Staudinger Reaction: Access to Benzonaphthyridines/Naphthyridines.","The Journal of organic chemistry","2017","82","12","6388","6397","10.1021/acs.joc.7b01016","","","0.71073","MoKα","","0.2081","0.0774","","","0.1377","0.1911","","","","","","0.916","","","","has coordinates","200713","2020-10-21","18:00:00",""
"4032560","17.3","0.004","7.8692","0.001","16.258","0.003","90","","117.18","0.03","90","","1968.9","0.8","150","","150","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C20 H24 N4 O4 -","- C20 H24 N4 O4 -","- C80 H96 N16 O16 -","4","1","","Sahu, Raghaba; Singh, Vishwakarma","Cycloaddition of Spiroepoxycyclohexa-2,4-dienones, Radical Cyclization and 1,3-Acyl Shift in Excited State: Aromatics to Sterpuren-4-one.","The Journal of organic chemistry","2017","82","12","6268","6278","10.1021/acs.joc.7b00867","","x-ray","0.71073","MoKα","","0.1646","0.0743","","","0.1715","0.259","","","","","","1.079","","","","has coordinates","200709","2020-10-21","18:00:00",""
"4032561","9.9156","0.0016","12.085","0.002","12.04","0.002","90","","112.791","0.003","90","","1330.1","0.4","298","2","298","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C11 H10 Br2 N4 O -","- C11 H10 Br2 N4 O -","- C44 H40 Br8 N16 O4 -","4","1","","Deng, Xiaocong; Lei, Xue; Nie, Gang; Jia, Lihui; Li, Yuanxiang; Chen, Yunfeng","Copper-Catalyzed Cross-Dehydrogenative N(2)-Coupling of NH-1,2,3-Triazoles with N,N -Dialkylamides: N-Amidoalkylation of NH-1,2,3-Triazoles.","The Journal of organic chemistry","2017","82","12","6163","6171","10.1021/acs.joc.7b00752","","","0.71073","MoKα","","0.0733","0.0528","","","0.1356","0.1438","","","","","","0.953","","","","has coordinates","200711","2020-10-21","18:00:00",""
"4032562","14.851","0.003","6.8378","0.0012","13.732","0.002","90","","109.703","0.003","90","","1312.8","0.4","298","2","298","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C11 H10 Br2 N4 O -","- C11 H10 Br2 N4 O -","- C44 H40 Br8 N16 O4 -","4","1","","Deng, Xiaocong; Lei, Xue; Nie, Gang; Jia, Lihui; Li, Yuanxiang; Chen, Yunfeng","Copper-Catalyzed Cross-Dehydrogenative N(2)-Coupling of NH-1,2,3-Triazoles with N,N -Dialkylamides: N-Amidoalkylation of NH-1,2,3-Triazoles.","The Journal of organic chemistry","2017","82","12","6163","6171","10.1021/acs.joc.7b00752","","","0.71073","MoKα","","0.0633","0.0503","","","0.1531","0.1694","","","","","","1.049","","","","has coordinates","200711","2020-10-21","18:00:00",""
"4032563","6.3659","0.0005","8.72","0.0007","10.5934","0.0008","89.053","0.006","73.759","0.005","73.554","0.005","540.23","0.08","100","2","100","2","","","","","","","","4","P -1","-P 1","2","","","","- C12 H19 N O2 -","- C12 H19 N O2 -","- C24 H38 N2 O4 -","2","1","","Saruengkhanphasit, Rungroj; Collier, Darren; Coldham, Iain","Synthesis of Spirocyclic Amines by Using Dipolar Cycloadditions of Nitrones.","The Journal of organic chemistry","2017","82","12","6489","6496","10.1021/acs.joc.7b00959","","","0.71073","MoKα","","0.0836","0.0569","","","0.1469","0.1632","","","","","","1.02","","","","has coordinates","200712","2020-10-21","18:00:00",""
"4032564","14.847","0.019","5.161","0.007","51.87","0.07","90","","91.829","0.013","90","","3973","9","100","","100","","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C13 H6 F9 N O -","- C13 H6 F9 N O -","- C156 H72 F108 N12 O12 -","12","3","","Yin, Hongfei; Skrydstrup, Troels","Access to Perfluoroalkyl-Substituted Enones and Indolin-2-ones via Multicomponent Pd-Catalyzed Carbonylative Reactions.","The Journal of organic chemistry","2017","82","12","6474","6481","10.1021/acs.joc.7b00942","","","0.56086","AgKα","","0.1596","0.0911","","","0.2177","0.2684","","","","","","1.005","","","","has coordinates","200707","2020-10-21","18:00:00",""
"4032565","8.649","0.002","11.121","0.003","14.546","0.004","90","","94.976","0.007","90","","1393.8","0.6","298","1","298","1","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C32 H29 N3 O6 -","- C32 H29 N3 O6 -","- C64 H58 N6 O12 -","2","1","","Selva, Verónica; Larrañaga, Olatz; Castelló, Luis M; Nájera, Carmen; Sansano, José M; de Cózar, Abel","Diastereoselective [3 + 2] vs [4 + 2] Cycloadditions of Nitroprolinates with α,β-Unsaturated Aldehydes and Electrophilic Alkenes: An Example of Total Periselectivity.","The Journal of organic chemistry","2017","","","","","10.1021/acs.joc.7b00903","","","0.71073","MoKα","","0.2005","0.0662","","","0.1009","0.1389","","","","","","0.919","","","","has coordinates","197653","2020-10-21","18:00:00",""
"4032566","11.2228","0.0008","12.8435","0.0008","12.8455","0.0009","83.167","0.005","66.229","0.007","64.19","0.007","1521.8","0.2","143","2","143","2","","","","","","","","4","P -1","-P 1","2","","","","- C34 H32 N2 O6 -","- C34 H32 N2 O6 -","- C68 H64 N4 O12 -","2","1","","Chong, Kam-Weng; Hong, Fong-Jiao; Thomas, Noel F.; Low, Yun-Yee; Kam, Toh-Seok","Electrochemically Mediated Oxidative Transformations of Substituted 4-Methoxystilbenes: Effect of Ortho-Substituted Nucleophilic Groups.","The Journal of organic chemistry","2017","82","12","6172","6191","10.1021/acs.joc.7b00753","","","1.54178","CuKα","","0.0702","0.0534","","","0.1257","0.1343","","","","","","1.049","","","","has coordinates","199586","2020-10-21","18:00:00",""
"4032567","9.2055","0.0003","8.1914","0.0002","20.5255","0.0005","90","","100.576","0.003","90","","1521.45","0.07","144","1","144","1","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C36 H36 N2 O8 -","- C36 H36 N2 O8 -","- C72 H72 N4 O16 -","2","0.5","","Chong, Kam-Weng; Hong, Fong-Jiao; Thomas, Noel F.; Low, Yun-Yee; Kam, Toh-Seok","Electrochemically Mediated Oxidative Transformations of Substituted 4-Methoxystilbenes: Effect of Ortho-Substituted Nucleophilic Groups.","The Journal of organic chemistry","2017","82","12","6172","6191","10.1021/acs.joc.7b00753","","","1.54184","CuKα","","0.0489","0.0439","","","0.1161","0.1227","","","","","","1.043","","","","has coordinates","199586","2020-10-21","18:00:00",""
"4032568","8.9497","0.0003","42.7991","0.0018","11.4651","0.0004","90","","107.31","0.004","90","","4192.7","0.3","147","1","147","1","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C47 H48 N2 O9 S2 -","- C47 H48 N2 O9 S2 -","- C188 H192 N8 O36 S8 -","4","2","","Chong, Kam-Weng; Hong, Fong-Jiao; Thomas, Noel F.; Low, Yun-Yee; Kam, Toh-Seok","Electrochemically Mediated Oxidative Transformations of Substituted 4-Methoxystilbenes: Effect of Ortho-Substituted Nucleophilic Groups.","The Journal of organic chemistry","2017","82","12","6172","6191","10.1021/acs.joc.7b00753","","","1.54184","CuKα","","0.0769","0.0728","","","0.181","0.184","","","","","","1.084","","","","has coordinates","255262","2020-10-21","18:00:00",""
"4032569","9.2344","0.0006","12.8639","0.0008","12.9355","0.0009","98.362","0.005","105.308","0.006","103.305","0.006","1407.09","0.18","161","1","161","1","","","","","","","","3","P -1","-P 1","2","","","","- C32 H30 O6 -","- C32 H30 O6 -","- C64 H60 O12 -","2","1","","Chong, Kam-Weng; Hong, Fong-Jiao; Thomas, Noel F.; Low, Yun-Yee; Kam, Toh-Seok","Electrochemically Mediated Oxidative Transformations of Substituted 4-Methoxystilbenes: Effect of Ortho-Substituted Nucleophilic Groups.","The Journal of organic chemistry","2017","82","12","6172","6191","10.1021/acs.joc.7b00753","","","1.54184","CuKα","","0.0588","0.0455","","","0.1209","0.1323","","","","","","1.034","","","","has coordinates","199586","2020-10-21","18:00:00",""
"4032570","9.4911","0.0002","13.2075","0.0002","15.3206","0.0003","90","","94.468","0.001","90","","1914.66","0.06","296","2","296","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C42 H34 N4 O10 S2 -","- C42 H34 N4 O10 S2 -","- C84 H68 N8 O20 S4 -","2","0.5","","Chong, Kam-Weng; Hong, Fong-Jiao; Thomas, Noel F.; Low, Yun-Yee; Kam, Toh-Seok","Electrochemically Mediated Oxidative Transformations of Substituted 4-Methoxystilbenes: Effect of Ortho-Substituted Nucleophilic Groups.","The Journal of organic chemistry","2017","82","12","6172","6191","10.1021/acs.joc.7b00753","","","0.71073","MoKα","","0.0727","0.0436","","","0.0942","0.1084","","","","","","1.014","","","","has coordinates","199586","2020-10-21","18:00:00",""
"4032571","18.9139","0.0002","14.1757","0.0002","17.3955","0.0002","90","","93.736","0.001","90","","4654.13","0.1","100","2","100","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C30 H26 O4 -","- C30 H26 O4 -","- C240 H208 O32 -","8","2","","Chong, Kam-Weng; Hong, Fong-Jiao; Thomas, Noel F.; Low, Yun-Yee; Kam, Toh-Seok","Electrochemically Mediated Oxidative Transformations of Substituted 4-Methoxystilbenes: Effect of Ortho-Substituted Nucleophilic Groups.","The Journal of organic chemistry","2017","82","12","6172","6191","10.1021/acs.joc.7b00753","","","0.71073","MoKα","","0.0848","0.0466","","","0.0995","0.1237","","","","","","0.929","","","","has coordinates","199586","2020-10-21","18:00:00",""
"4032572","12.3737","0.0004","23.7481","0.0006","14.264","0.0004","90","","91.626","0.002","90","","4189.8","0.2","100.1","0.6","100.1","0.6","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C45 H42 Cl2 N2 O6 S2 -","- C45 H42 Cl2 N2 O6 S2 -","- C180 H168 Cl8 N8 O24 S8 -","4","1","","Chong, Kam-Weng; Hong, Fong-Jiao; Thomas, Noel F.; Low, Yun-Yee; Kam, Toh-Seok","Electrochemically Mediated Oxidative Transformations of Substituted 4-Methoxystilbenes: Effect of Ortho-Substituted Nucleophilic Groups.","The Journal of organic chemistry","2017","82","12","6172","6191","10.1021/acs.joc.7b00753","","","0.71073","MoKα","","0.0655","0.0543","","","0.1553","0.1649","","","","","","1.07","","","","has coordinates","199586","2020-10-21","18:00:00",""
"4032573","8.6815","0.0003","31.3302","0.0011","11.5111","0.0004","90","","105.121","0.003","90","","3022.54","0.19","144","3","144","3","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C36 H36 N2 O8 -","- C36 H36 N2 O8 -","- C144 H144 N8 O32 -","4","1","","Chong, Kam-Weng; Hong, Fong-Jiao; Thomas, Noel F.; Low, Yun-Yee; Kam, Toh-Seok","Electrochemically Mediated Oxidative Transformations of Substituted 4-Methoxystilbenes: Effect of Ortho-Substituted Nucleophilic Groups.","The Journal of organic chemistry","2017","82","12","6172","6191","10.1021/acs.joc.7b00753","","","1.54178","CuKα","","0.0503","0.0393","","","0.0929","0.0977","","","","","","1.098","","","","has coordinates","199586","2020-10-21","18:00:00",""
"4032574","9.2754","0.0005","20.029","0.001","17.8817","0.0009","90","","99.343","0.002","90","","3277.9","0.3","173.2","","173.2","","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C22 H56 Li2 N2 O2 Si4 -","- C22 H56 Li2 N2 O2 Si4 -","- C88 H224 Li8 N8 O8 Si16 -","4","1","","Tai, Onkei; Hopson, Russell; Williard, Paul G.","Ligand Binding Constants to Lithium Hexamethyldisilazide (LiHMDS) Determined by Diffusion-ordered NMR Spectroscopy (DOSY).","The Journal of organic chemistry","2017","","","","","10.1021/acs.joc.7b00800","","","0.71073","MoKα","","0.0794","0.0473","","","0.0963","0.1091","","","","","","1.0602","","","","has coordinates","258458","2020-10-21","18:00:00",""
"4032575","8.1568","0.0001","10.0681","0.0006","11.0261","0.0004","63.31","0.03","68.71","0.03","66.74","0.03","724","0.2","120","2","120","2","","","","","","","","4","P -1","-P 1","2","","","","- C38 H32 N2 O4 -","- C38 H32 N2 O4 -","- C38 H32 N2 O4 -","1","0.5","","Anguera, Gonzalo; Kauffmann, Brice; Borrell, José I; Borrós, Salvador; Sánchez-García, David","Stable 5,5'-Substituted 2,2'-Bipyrroles: Building Blocks for Macrocyclic and Materials Chemistry.","The Journal of organic chemistry","2017","82","13","6904","6912","10.1021/acs.joc.7b00961","","","1.54178","CuKα","","0.0601","0.0566","","","0.1531","0.1545","","","","","","1.172","","","","has coordinates","200682","2020-10-21","18:00:00",""
"4032576","8.1443","0.0016","18.723","0.004","14.403","0.003","90","","98.79","0.03","90","","2170.5","0.8","120","2","120","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C52 H48 N4 O8 -","- C52 H48 N4 O8 -","- C104 H96 N8 O16 -","2","0.5","","Anguera, Gonzalo; Kauffmann, Brice; Borrell, José I; Borrós, Salvador; Sánchez-García, David","Stable 5,5'-Substituted 2,2'-Bipyrroles: Building Blocks for Macrocyclic and Materials Chemistry.","The Journal of organic chemistry","2017","82","13","6904","6912","10.1021/acs.joc.7b00961","","","1.54178","CuKα","","0.035","0.0334","","","0.0855","0.0866","","","","","","1.04","","","","has coordinates","200682","2020-10-21","18:00:00",""
"4032577","10.48005","0.00013","24.7093","0.0003","12.42655","0.00018","90","","112.802","0.0016","90","","2966.42","0.08","120.01","0.1","120.01","0.1","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C33 H31 N5 O4 -","- C33 H31 N5 O4 -","- C132 H124 N20 O16 -","4","2","","Chauhan, Pankaj; Mahajan, Suruchi; Kaya, Ugur; Peuronen, Anssi; Rissanen, Kari; Enders, Dieter","Asymmetric Synthesis of Amino-Bis-Pyrazolone Derivatives via an Organocatalytic Mannich Reaction.","The Journal of organic chemistry","2017","","","","","10.1021/acs.joc.7b01113","","x-ray","1.54184","CuKα","","0.0356","0.0325","","","0.0831","0.0856","","","","","","1.023","","","","has coordinates,has disorder","197742","2020-10-21","18:00:00",""
"4032578","6.5282","0.0004","14.5999","0.0011","14.9551","0.001","111.076","0.007","99.361","0.005","92.468","0.005","1304.31","0.17","120.01","0.1","120.01","0.1","","","","","","","","4","P 1","P 1","1","","","","- C27 H29 N5 O5 -","- C27 H29 N5 O5 -","- C54 H58 N10 O10 -","2","2","","Chauhan, Pankaj; Mahajan, Suruchi; Kaya, Ugur; Peuronen, Anssi; Rissanen, Kari; Enders, Dieter","Asymmetric Synthesis of Amino-Bis-Pyrazolone Derivatives via an Organocatalytic Mannich Reaction.","The Journal of organic chemistry","2017","","","","","10.1021/acs.joc.7b01113","","x-ray","1.54184","CuKα","","0.0528","0.0403","","","0.0898","0.0963","","","","","","1.031","","","","has coordinates","197743","2020-10-21","18:00:00",""
"4032579","10.119","0.002","11.447","0.002","16.905","0.003","76.716","0.004","84.104","0.004","75.228","0.004","1840.7","0.6","296","","296.15","","","","","","","","","5","P -1","-P 1","2","","","","- C23 H16 Cl N O2 -","- C23 H16 Cl N O2 -","- C92 H64 Cl4 N4 O8 -","4","2","","Mao, Xiao-Feng; Zhu, Xiao-Ping; Li, Deng-Yuan; Liu, Pei-Nian","Cu-Catalyzed Cascade Annulation of Alkynols with 2-Azidobenzaldehydes: Access to 6H-Isochromeno[4,3-c]quinoline.","The Journal of organic chemistry","2017","82","13","7032","7039","10.1021/acs.joc.7b00937","","","0.71073","MoKα","","0.099","0.0633","","","0.1818","0.2121","","","","","","1.039","","","","has coordinates","200687","2020-10-21","18:00:00",""
"4032580","8.5801","0.0007","10.7907","0.0009","27.2","0.003","90","","93.515","0.001","90","","2513.6","0.4","298","2","298","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C30 H22 Cl N O4 S -","- C30 H22 Cl N O4 S -","- C120 H88 Cl4 N4 O16 S4 -","4","1","","Li, Jie; Zhang, Wen-Wen; Wei, Xiao-Jing; Liu, Feng; Hao, Wen-Juan; Wang, Shu-Liang; Li, Guigen; Tu, Shu-Jiang; Jiang, Bo","Radical Deaminative ipso-Cyclization of 4-Methoxyanilines with 1,7-Enynes for Accessing Spirocyclohexadienone-Containing Cyclopenta[c]quinolin-4-ones.","The Journal of organic chemistry","2017","82","13","6621","6628","10.1021/acs.joc.7b00704","","","0.71073","MoKα","","0.26","0.0851","","","0.1098","0.1364","","","","","","0.91","","","","has coordinates","200680","2020-10-21","18:00:00",""
"4032581","10.7534","0.0005","10.9377","0.0005","10.9416","0.0005","89.154","0.003","62.158","0.002","85.36","0.002","1133.83","0.09","150","1","150","1","","","","","","","","4","P -1","-P 1","2","rl022","","","- C26 H25 N3 O3 -","- C26 H25 N3 O3 -","- C52 H50 N6 O6 -","2","1","","Salvant, Justin Michael; Edwards, Anne Victoria; Kurek, Daniel Zachary; Looper, Ryan E.","Regioselective base-mediated cyclizations of mono-N-acylpropargylguanadines.","The Journal of organic chemistry","2017","","","","","10.1021/acs.joc.7b00639","","","0.71073","MoKα","","0.0453","0.0375","","","0.0913","0.0977","","","","","","1.028","","","","has coordinates","197861","2020-10-21","18:00:00",""
"4032582","10.3646","0.0006","18.3605","0.001","25.0181","0.0015","90","","90","","90","","4760.9","0.5","147","2","147","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C24 H32 N2 O4 -","- C24 H32 N2 O4 -","- C192 H256 N16 O32 -","8","2","","Seo, Min-Seob; Sun, Daeyoung; Kim, Hyunwoo","Stereoselective Chiral Recognition of Amino Alcohols with 2,2'-Dihydroxybenzil.","The Journal of organic chemistry","2017","","","","","10.1021/acs.joc.7b00600","","","1.54178","CuKα","","0.0294","0.029","","","0.0755","0.076","","","","","","1.046","","","","has coordinates","197862","2020-10-21","18:00:00",""
"4032583","9.9808","0.0006","19.662","0.0008","11.5438","0.0007","90","","90.534","0.006","90","","2265.3","0.2","293.6","0.4","293.6","0.4","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C24 H28 O7 -","- C24 H28 O7 -","- C96 H112 O28 -","4","1","","Zheng, Lan; Liang, Yong-Min","Copper-Catalyzed [2 + 2 + 3] Annulation of 1,6-Enynes with α-Bromo-1,3-Dicarbonyl Compounds: Synthesis of Dihydrooxepines.","The Journal of organic chemistry","2017","82","13","7000","7007","10.1021/acs.joc.7b00879","","x-ray","0.71073","MoKα","","0.1043","0.058","","","0.1309","0.161","","","","","","1.051","","","","has coordinates","200683","2020-10-21","18:00:00",""
"4032584","11.325","0.002","11.6605","0.0019","11.833","0.002","67.547","0.016","63.377","0.019","67.27","0.019","1246.5","0.4","289.69","0.1","289.69","0.1","","","","","","","","6","P -1","-P 1","2","","","","- C26 H28 Br N O5 S -","- C26 H28 Br N O5 S -","- C52 H56 Br2 N2 O10 S2 -","2","1","","Zheng, Lan; Liang, Yong-Min","Copper-Catalyzed [2 + 2 + 3] Annulation of 1,6-Enynes with α-Bromo-1,3-Dicarbonyl Compounds: Synthesis of Dihydrooxepines.","The Journal of organic chemistry","2017","82","13","7000","7007","10.1021/acs.joc.7b00879","","x-ray","0.71073","MoKα","","0.0931","0.0534","","","0.0995","0.1176","","","","","","1.057","","","","has coordinates","200683","2020-10-21","18:00:00",""
"4032585","6.6306","0.0009","40.05","0.006","7.2452","0.001","90","","114.048","0.002","90","","1757","0.4","294","2","294","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C18 H21 N O5 S -","- C18 H21 N O5 S -","- C72 H84 N4 O20 S4 -","4","1","","Anugu, Raghunath Reddy; Chegondi, Rambabu","Tunable Diastereoselective Desymmetrization of Cyclohexadienones Triggered by Copper-Catalyzed Three-Component Coupling Reaction.","The Journal of organic chemistry","2017","82","13","6786","6794","10.1021/acs.joc.7b00936","","","0.71073","MoKα","","0.0854","0.0791","","","0.1655","0.1688","","","","","","1.285","","","","has coordinates","200686","2020-10-21","18:00:00",""
"4032586","13.157","0.003","8.3944","0.0017","17.171","0.003","90","","90.06","0.03","90","","1896.5","0.7","173.15","","173.15","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C25 H18 N O P -","- C25 H18 N O P -","- C100 H72 N4 O4 P4 -","4","1","","Guo, Wei-Si; Dou, Qian; Hou, Jian; Wen, Li-Rong; Li, Ming","Synthesis of 6-Phosphorylated Phenanthridines by Mn(II)-Promoted Tandem Reactions of 2-Biaryl Isothiocyanates with Phosphine Oxides.","The Journal of organic chemistry","2017","82","13","7015","7022","10.1021/acs.joc.7b00907","","","0.71073","MoKα","","0.0723","0.0635","","","0.1444","0.1495","","","","","","1.134","","","","has coordinates","200685","2020-10-21","18:00:00",""
"4032587","20.772","0.002","7.4286","0.0008","18.5851","0.0017","90","","90","","90","","2867.8","0.5","296","2","296","2","","","","","","","","3","P b c n","-P 2n 2ab","60","","","","- C18 H18 O2 -","- C18 H18 O2 -","- C144 H144 O16 -","8","1","","Chan, Chieh-Kai; Hsueh, Nai-Chen; Tsai, Yu-Lin; Chang, Meng-Yang","Bi(OTf)3-Mediated Intramolecular Olefinic Cyclization: Synthesis of Substituted Aryl-Dihydronaphthalenes and Indenes.","The Journal of organic chemistry","2017","82","13","7077","7084","10.1021/acs.joc.7b01278","","","0.71073","MoKα","","0.1256","0.0908","","","0.2756","0.3111","","","","","","1.049","","","","has coordinates","199583","2020-10-21","18:00:00",""
"4032588","11.399","0.002","11.51","0.002","19.44","0.004","74.294","0.004","85.627","0.005","65.942","0.004","2240.4","0.7","99","2","99","2","","","","","","","","4","P -1","-P 1","2","","","","- C30 H25 F O2 -","- C30 H25 F O2 -","- C120 H100 F4 O8 -","4","2","","Chan, Chieh-Kai; Hsueh, Nai-Chen; Tsai, Yu-Lin; Chang, Meng-Yang","Bi(OTf)3-Mediated Intramolecular Olefinic Cyclization: Synthesis of Substituted Aryl-Dihydronaphthalenes and Indenes.","The Journal of organic chemistry","2017","82","13","7077","7084","10.1021/acs.joc.7b01278","","","0.71073","MoKα","","0.0781","0.0469","","","0.0968","0.1123","","","","","","1.017","","","","has coordinates","254835","2020-10-21","18:00:00",""
"4032589","7.0295","0.0006","9.8296","0.0008","11.707","0.0009","101.647","0.005","105.413","0.005","103.993","0.005","725.41","0.11","296","2","296","2","","","","","","","","3","P -1","-P 1","2","","","","- C18 H18 O2 -","- C18 H18 O2 -","- C36 H36 O4 -","2","1","","Chan, Chieh-Kai; Hsueh, Nai-Chen; Tsai, Yu-Lin; Chang, Meng-Yang","Bi(OTf)3-Mediated Intramolecular Olefinic Cyclization: Synthesis of Substituted Aryl-Dihydronaphthalenes and Indenes.","The Journal of organic chemistry","2017","82","13","7077","7084","10.1021/acs.joc.7b01278","","","0.71073","MoKα","","0.0935","0.0596","","","0.1507","0.1873","","","","","","1.131","","","","has coordinates","199583","2020-10-21","18:00:00",""
"4032590","7.624","0.0007","23.566","0.002","8.4581","0.0007","90","","93.5","0.005","90","","1516.8","0.2","100","2","100","2","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","","","- C19 H20 O3 -","- C19 H20 O3 -","- C76 H80 O12 -","4","1","","Chan, Chieh-Kai; Hsueh, Nai-Chen; Tsai, Yu-Lin; Chang, Meng-Yang","Bi(OTf)3-Mediated Intramolecular Olefinic Cyclization: Synthesis of Substituted Aryl-Dihydronaphthalenes and Indenes.","The Journal of organic chemistry","2017","82","13","7077","7084","10.1021/acs.joc.7b01278","","","0.71073","MoKα","","0.0531","0.0399","","","0.1131","0.1345","","","","","","1.108","","","","has coordinates","199583","2020-10-21","18:00:00",""
"4032591","8.1071","0.0006","9.3064","0.0007","22.2481","0.0017","90","","90","","90","","1678.6","0.2","100","2","100","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C20 H21 F O2 -","- C20 H21 F O2 -","- C80 H84 F4 O8 -","4","1","","Chan, Chieh-Kai; Hsueh, Nai-Chen; Tsai, Yu-Lin; Chang, Meng-Yang","Bi(OTf)3-Mediated Intramolecular Olefinic Cyclization: Synthesis of Substituted Aryl-Dihydronaphthalenes and Indenes.","The Journal of organic chemistry","2017","82","13","7077","7084","10.1021/acs.joc.7b01278","","","0.71073","MoKα","","0.0483","0.0402","","","0.1101","0.1287","","","","","","1.104","","","","has coordinates","199583","2020-10-21","18:00:00",""
"4032592","5.4384","0.0009","7.1721","0.0012","22.371","0.003","90","","94.674","0.009","90","","869.7","0.2","100","2","100","2","","","","","","","","3","P 1 21 1","P 2yb","4","","","","- C21 H24 O3 -","- C21 H24 O3 -","- C42 H48 O6 -","2","1","","Chan, Chieh-Kai; Hsueh, Nai-Chen; Tsai, Yu-Lin; Chang, Meng-Yang","Bi(OTf)3-Mediated Intramolecular Olefinic Cyclization: Synthesis of Substituted Aryl-Dihydronaphthalenes and Indenes.","The Journal of organic chemistry","2017","82","13","7077","7084","10.1021/acs.joc.7b01278","","","0.71073","MoKα","","0.0554","0.0469","","","0.1252","0.1431","","","","","","1.13","","","","has coordinates,has disorder","199583","2020-10-21","18:00:00",""
"4032593","8.748","0.0006","24.241","0.0013","9.1766","0.0006","90","","118.248","0.002","90","","1714.24","0.19","297.1","","297","1","","","","","","","","4","P 1 21/a 1","-P 2yab","14","","","","- C17 H25 Br N2 -","- C17 H25 Br N2 -","- C68 H100 Br4 N8 -","4","1","","Figliola, Carlotta; Robertson, Katherine N.; Greening, Sarah; Thompson, Alison","Asymmetric Dipyrrin and F-BODIPYs Conjugated to Terminal Alkynes and Alkenes.","The Journal of organic chemistry","2017","82","13","7059","7064","10.1021/acs.joc.7b01129","","","0.7107","MoKα","","","0.0492","","","","0.06","","","","","","1.063","","","","has coordinates","200684","2020-10-21","18:00:00",""
"4032594","7.727","0.004","10.325","0.005","12.026","0.005","103.002","0.005","102.154","0.005","102.174","0.005","879.7","0.7","125","2","125","2","","","","","","","","5","P -1","-P 1","2","","","","- C35 H44 Br2 Cl2 N4 -","- C35 H44 Br2 Cl2 N4 -","- C35 H44 Br2 Cl2 N4 -","1","0.5","","Figliola, Carlotta; Robertson, Katherine N.; Greening, Sarah; Thompson, Alison","Asymmetric Dipyrrin and F-BODIPYs Conjugated to Terminal Alkynes and Alkenes.","The Journal of organic chemistry","2017","82","13","7059","7064","10.1021/acs.joc.7b01129","","","0.71073","MoKα","","0.1236","0.0883","","","0.2218","0.2454","","","","","","1.081","","","","has coordinates","200684","2020-10-21","18:00:00",""
"4032595","8.51","0.0008","11.4993","0.001","12.8103","0.0011","86.11","0.003","72.9","0.003","79.733","0.003","1178.84","0.18","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","","","- C26 H28 F2 O3 Si2 -","- C26 H28 F2 O3 Si2 -","- C52 H56 F4 O6 Si4 -","2","1","","Diemoz, Kayla M.; Hein, Jason E.; Wilson, Sean O.; Fettinger, James C.; Franz, Annaliese K.","Reaction Progress Kinetics Analysis of 1,3-Disiloxanediols as Hydrogen-Bonding Catalysts.","The Journal of organic chemistry","2017","82","13","6738","6747","10.1021/acs.joc.7b00875","","","0.71073","MoKα","","0.03","0.0287","","","0.0812","0.082","","","","","","1.059","","","","has coordinates","200681","2020-10-21","18:00:00",""
"4032596","8.843","0.004","16.849","0.008","14.023","0.004","90","","104.22","0.011","90","","2025.3","1.5","294","2","294","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C20 H18 I N O5 S -","- C20 H18 I N O5 S -","- C80 H72 I4 N4 O20 S4 -","4","1","","Raji Reddy, Chada; Ranjan, Ravi; Prajapti, Santosh Kumar; Warudikar, Kamalkishor","One-Pot Consecutive Sulfonamidation/ipso-Cyclization Strategy for the Construction of Azaspirocyclohexadienones.","The Journal of organic chemistry","2017","82","13","6932","6939","10.1021/acs.joc.7b01285","","","0.71073","MoKα","","0.0356","0.0313","","","0.0794","0.0825","","","","","","1.095","","","","has coordinates","200688","2020-10-21","18:00:00",""
"4032597","10.0406","0.0005","11.206","0.0005","17.3743","0.0009","90","","101.078","0.003","90","","1918.44","0.16","296","2","296.15","","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C23 H17 N3 O S -","- C23 H17 N3 O S -","- C92 H68 N12 O4 S4 -","4","1","","Parella, Ramarao; Babu, Srinivasarao Arulananda","Pd(II)-Catalyzed Arylation and Intramolecular Amidation of γ-C(sp(3))-H Bonds: En Route to Arylheteroarylmethane and Pyrrolidone Ring Annulated Furan/Thiophene Scaffolds.","The Journal of organic chemistry","2017","82","14","7123","7150","10.1021/acs.joc.7b00582","","","0.71073","MoKα","","0.048","0.0399","","","0.1172","0.1225","","","","","","1.31","","","","has coordinates","200692","2020-10-21","18:00:00",""
"4032598","8.417","0.002","8.741","0.002","11.876","0.003","101.49","0.004","100.828","0.004","94.569","0.003","834.8","0.3","296.15","","296.15","","","","","","","","","5","P -1","-P 1","2","","","","- C21 H14 N2 O S -","- C21 H14 N2 O S -","- C42 H28 N4 O2 S2 -","2","1","","Parella, Ramarao; Babu, Srinivasarao Arulananda","Pd(II)-Catalyzed Arylation and Intramolecular Amidation of γ-C(sp(3))-H Bonds: En Route to Arylheteroarylmethane and Pyrrolidone Ring Annulated Furan/Thiophene Scaffolds.","The Journal of organic chemistry","2017","82","14","7123","7150","10.1021/acs.joc.7b00582","","","0.71073","MoKα","","0.1046","0.0519","","","0.1137","0.1348","","","","","","0.927","","","","has coordinates","200692","2020-10-21","18:00:00",""
"4032599","16.978","0.005","11.307","0.003","18.072","0.005","90","","100.741","0.015","90","","3408.5","1.7","293","","293","","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C20 H19 N O2 S -","- C20 H19 N O2 S -","- C160 H152 N8 O16 S8 -","8","1","","Mishra, Uttam K.; Yadav, Sonu; Ramasastry, S. S. V.","One-Pot Multicatalytic Approaches for the Synthesis of Cyclohepta[b]indoles, Indolotropones, and Tetrahydrocarbazoles.","The Journal of organic chemistry","2017","82","13","6729","6737","10.1021/acs.joc.7b00865","","","0.71073","MoKα","","0.0987","0.0708","","","0.1921","0.227","","","","","","1.2877","","","","has coordinates","199584","2020-10-21","18:00:00",""
"4032600","9.618","0.0008","9.7192","0.0008","16.7262","0.0013","90","","98.072","0.007","90","","1548.1","0.2","123","","123","","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","","","- C20 H20 N2 -","- C20 H20 N2 -","- C80 H80 N8 -","4","1","","Sasaki, Shunsuke; Suzuki, Satoshi; Igawa, Kazunobu; Morokuma, Keiji; Konishi, Gen-Ichi","The K-Region in Pyrenes as a Key Position to Activate Aggregation-Induced Emission: Effects of Introducing Highly Twisted N,N-Dimethylamines.","The Journal of organic chemistry","2017","82","13","6865","6873","10.1021/acs.joc.7b00996","","","1.54187","CuKα","","0.1056","0.0912","","","0.3098","0.3294","","","","","","1.06","","","","has coordinates","200689","2020-10-21","18:00:00",""
"4032601","7.369","0.005","7.894","0.005","10.285","0.005","80.949","0.005","79.134","0.005","78.079","0.005","570.5","0.6","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","","","- C13 H5 F5 N2 O -","- C13 H5 F5 N2 O -","- C26 H10 F10 N4 O2 -","2","1","","Savva, Anastasia C.; Mirallai, Styliana I.; Zissimou, Georgia A.; Berezin, Andrey A.; Demetriades, Marina; Kourtellaris, Andreas; Constantinides, Christos P.; Nicolaides, Constantinos; Trypiniotis, Theodossis; Koutentis, Panayiotis A.","Preparation of Blatter Radicals via Aza-Wittig Chemistry: The Reaction of N Aryliminophosphoranes with 1-(Het)aroyl-2-aryldiazenes.","The Journal of organic chemistry","2017","","","","","10.1021/acs.joc.7b01297","","","0.71069","MoKα","","0.0666","0.0484","","","0.1076","0.1242","","","","","","1.042","","","","has coordinates","198264","2020-10-21","18:00:00",""
"4032602","8.0176","0.0009","10.8219","0.0013","15.3565","0.0018","90","","90","","90","","1332.4","0.3","293","2","293","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","Diol","Bislactone","","- C14 H20 O4 -","- C14 H20 O4 -","- C56 H80 O16 -","4","1","","Datta, Ritabrata; Ghosh, Subrata","Total synthesis of the marine polyketide (-)-gracilioether F.","The Journal of organic chemistry","2017","","","","","10.1021/acs.joc.7b01179","","","0.71073","MoKα","","0.0388","0.0314","","","0.0686","0.0725","","","","","","1.046","","","","has coordinates","198265","2020-10-21","18:00:00",""
"4032603","8.293","0.001","11.225","0.002","14.319","0.002","90","","102.805","0.002","90","","1299.8","0.3","103","1","103","1","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C16 H19 N O -","- C16 H19 N O -","- C64 H76 N4 O4 -","4","1","","Lankri, David; Albarghouti, Ghassan; Mahameed, Mohamed; Tsvelikhovsky, Dmitry","Multifaceted α-Enaminone: Adaptable Building Block for Synthesis of Heterocyclic Scaffolds Through Conceptually Distinct 1,2-, 1,3-, 1,4-, and C-O Bond Forming Annulations.","The Journal of organic chemistry","2017","82","14","7101","7113","10.1021/acs.joc.7b00516","","","0.71073","MoKα","","0.0526","0.0507","","","0.1193","0.1207","","","","","","1.111","","","","has coordinates","200695","2020-10-21","18:00:00",""
"4032604","8.082","0.001","12.55","0.002","13.607","0.002","90","","90","","90","","1380.1","0.3","173","1","173","1","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C17 H19 N O -","- C17 H19 N O -","- C68 H76 N4 O4 -","4","1","","Lankri, David; Albarghouti, Ghassan; Mahameed, Mohamed; Tsvelikhovsky, Dmitry","Multifaceted α-Enaminone: Adaptable Building Block for Synthesis of Heterocyclic Scaffolds Through Conceptually Distinct 1,2-, 1,3-, 1,4-, and C-O Bond Forming Annulations.","The Journal of organic chemistry","2017","82","14","7101","7113","10.1021/acs.joc.7b00516","","","0.71073","MoKα","","0.042","0.0404","","","0.1006","0.1025","","","","","","1.051","","","","has coordinates","200695","2020-10-21","18:00:00",""
"4032605","9.0377","0.0007","13.8122","0.001","14.1416","0.0009","65.188","0.002","77.413","0.002","86.05","0.003","1563.3","0.2","150","2","150","2","","","","","","","","5","P -1","-P 1","2","","","","- C32 H33 N O10 S2 -","- C32 H33 N O10 S2 -","- C64 H66 N2 O20 S4 -","2","1","","B. Manjappa, Kiran; Lin, Jhih-Min; Yang, Ding-Yah","Construction of Pentacyclic Lamellarin Skeleton via Grob Reaction: Application to Total Synthesis of Lamellarins H and D","The Journal of Organic Chemistry","2017","","","","","10.1021/acs.joc.7b01061","","x-ray","0.71073","MoKα","","0.0936","0.0642","","","0.1659","0.1822","","","","","","1.071","","","","has coordinates,has disorder","198290","2020-10-21","18:00:00",""
"4032606","9.7304","0.0004","23.2942","0.0009","11.4896","0.0004","90","","105.681","0.0017","90","","2507.32","0.17","150","2","150","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C33 H25 N O6 -","- C33 H25 N O6 -","- C132 H100 N4 O24 -","4","1","","B. Manjappa, Kiran; Lin, Jhih-Min; Yang, Ding-Yah","Construction of Pentacyclic Lamellarin Skeleton via Grob Reaction: Application to Total Synthesis of Lamellarins H and D","The Journal of Organic Chemistry","2017","","","","","10.1021/acs.joc.7b01061","","x-ray","0.71073","MoKα","","0.0681","0.0515","","","0.1207","0.1307","","","","","","1.052","","","","has coordinates","198291","2020-10-21","18:00:00",""
"4032607","6.4306","0.0007","16.7199","0.0014","7.1732","0.0008","90","","108.253","0.004","90","","732.45","0.13","150","2","150","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","Catena-diaquabarbiturate lithium(I)","","- C4 H7 Li N2 O5 -","- C4 H7 Li N2 O5 -","- C16 H28 Li4 N8 O20 -","4","1","","N.N. Golovnev; M.S. Molokeev; M.K. Lesnikov; S.N. Vereshchagin","Polymeric Lithium(I) Diaquabarbiturate: Crystal Structure","Russian Journal of Inorganic Chemistry","2017","62","6","746","750","10.1134/S0036023617060092","","","0.71073","MoKα","","0.0417","0.0363","","","0.0935","0.0974","","","","","","1.027","","","","has coordinates","198310","2020-10-21","18:00:00",""
"4032608","24.9098","0.0006","14.0779","0.0004","14.5291","0.0003","90","","103.643","0.002","90","","4951.3","0.2","298","2","298","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C25 H23 Br2 N3 O4 -","- C25 H23 Br2 N3 O4 -","- C200 H184 Br16 N24 O32 -","8","1","","González, Juan F; Rocchi, Damiano; Tejero, Tomás; Merino, Pedro; Menéndez, J Carlos","One-Pot Synthesis of Functionalized Carbazoles via a CAN-Catalyzed Multicomponent Process Comprising a C-H Activation Step.","The Journal of organic chemistry","2017","82","14","7492","7502","10.1021/acs.joc.7b01199","","","1.54178","CuKα","","0.0751","0.0469","","","0.1147","0.1306","","","","","","1.031","","","","has coordinates","200693","2020-10-21","18:00:00",""
"4032609","14.2417","0.0007","10.5901","0.0005","25.0529","0.0013","90","","92.0537","0.0008","90","","3776.1","0.3","150","2","150","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C48 H44 N2 O4 -","- C48 H44 N2 O4 -","- C192 H176 N8 O16 -","4","1","","Wang, Chuan-Zeng; Ichiyanagi, Hisashi; Sakaguchi, Koya; Feng, Xing; Elsegood, Mark R. J.; Redshaw, Carl; Yamato, Takehiko","Pyrene-Based Approach to Tune Emission Color from Blue to Yellow.","The Journal of organic chemistry","2017","82","14","7176","7182","10.1021/acs.joc.7b00685","","","0.71073","MoKα","","0.0708","0.0546","","","0.149","0.1648","","","","","","1.035","","","","has coordinates,has disorder","200694","2020-10-21","18:00:00",""
"4032610","25.7192","0.0016","9.835","0.0007","21.2755","0.0015","90","","120.041","0.002","90","","4658.7","0.6","150","2","150","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C23 H32 Cl N2 O1.5 -","- C23 H29 Cl N2 O1.5 -","- C184 H232 Cl8 N16 O12 -","8","1","","Dunn, Michelle H.; Konstandaras, Nicholas; Cole, Marcus L.; Harper, Jason B.","Targeted and Systematic Approach to the Study of pKa Values of Imidazolium Salts in Dimethyl Sulfoxide.","The Journal of organic chemistry","2017","82","14","7324","7331","10.1021/acs.joc.7b00716","","x-ray","0.71073","MoKα","","0.0965","0.0636","","","0.1721","0.1925","","","","","","1.025","","","","has coordinates","200697","2020-10-21","18:00:00",""
"4032611","9.2129","0.0007","16.459","0.0013","19.8551","0.0016","107.842","0.0014","98.547","0.0014","98.6723","0.0013","2771.8","0.4","100","2","100","2","","","","","","","","4","P -1","-P 1","2","","","","- C38.5 H25 Cl O4 -","- C38.5 H25 Cl O4 -","- C154 H100 Cl4 O16 -","4","2","","Dengiz, Cagatay; Luppino, Sarah P.; Gutierrez, Gregory D.; Swager, Timothy M.","Naphthazarin-Polycyclic Conjugated Hydrocarbons and Iptycenes.","The Journal of organic chemistry","2017","82","14","7470","7480","10.1021/acs.joc.7b01170","","","0.71073","MoKα","","0.0786","0.0497","","","0.1169","0.1319","","","","","","1.023","","","","has coordinates,has disorder","200699","2020-10-21","18:00:00",""
"4032612","10.6484","0.0004","33.8001","0.0013","7.8681","0.0003","90","","109.035","0.0014","90","","2677.01","0.18","100","2","100","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C36 H24 O5 -","- C36 H24 O5 -","- C144 H96 O20 -","4","1","","Dengiz, Cagatay; Luppino, Sarah P.; Gutierrez, Gregory D.; Swager, Timothy M.","Naphthazarin-Polycyclic Conjugated Hydrocarbons and Iptycenes.","The Journal of organic chemistry","2017","82","14","7470","7480","10.1021/acs.joc.7b01170","","","0.71073","MoKα","","0.0626","0.0458","","","0.1188","0.1299","","","","","","1.042","","","","has coordinates","200699","2020-10-21","18:00:00",""
"4032613","8.1248","0.0008","21.0141","0.0018","11.2657","0.0011","90","","99.032","0.003","90","","1899.6","0.3","100","2","100","2","","","","","","","","2","P 1 21/c 1","-P 2ybc","14","","","","- C26 H28 -","- C26 H28 -","- C104 H112 -","4","1","","Álvarez-Pérez, Mónica; Frutos, María; Viso, Alma; Fernández de la Pradilla, Roberto; de la Torre, María C; Sierra, Miguel A.; Gornitzka, Heinz; Hemmert, Catherine","Gold(I)-Catalyzed Cycloisomerization-Dimerization Cascade of Benzene-Tethered 1,6-Enynes.","The Journal of organic chemistry","2017","82","14","7546","7554","10.1021/acs.joc.7b01273","","","0.71073","MoKα","","0.0961","0.0496","","","0.1002","0.1174","","","","","","1.018","","","","has coordinates","199585","2020-10-21","18:00:00",""
"4032614","7.5298","0.0018","9.348","0.002","21.33","0.005","90","","97.807","0.005","90","","1487.5","0.6","205","","205","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C16 H16 F2 O4 -","- C16 H16 F2 O4 -","- C64 H64 F8 O16 -","4","1","","Li, Jie; Xue, Yu; Fan, Zhoulong; Ding, Chunyong; Zhang, Ao","Difluorination of Furonaphthoquinones.","The Journal of organic chemistry","2017","82","14","7388","7393","10.1021/acs.joc.7b01064","","","0.71073","MoKα","","0.0769","0.0507","","","0.1366","0.156","","","","","","1.037","","","","has coordinates","200696","2020-10-21","18:00:00",""
"4032615","8.2959","0.0002","8.2959","0.0002","45.7622","0.0011","90","","90","","90","","3149.44","0.13","173","","173","","","","","","","","","4","P 43 21 2","P 4nw 2abw","96","","","","- C19 H18 F2 O2 -","- C19 H18 F2 O2 -","- C152 H144 F16 O16 -","8","1","","Li, Jie; Xue, Yu; Fan, Zhoulong; Ding, Chunyong; Zhang, Ao","Difluorination of Furonaphthoquinones.","The Journal of organic chemistry","2017","82","14","7388","7393","10.1021/acs.joc.7b01064","","","1.54178","CuKα","","0.0343","0.0318","","","0.076","0.0774","","","","","","1.073","","","","has coordinates","200696","2020-10-21","18:00:00",""
"4032616","8.2655","0.0002","8.2655","0.0002","45.8542","0.0013","90","","90","","90","","3132.69","0.14","173","","173","","","","","","","","","4","P 43 21 2","P 4nw 2abw","96","","","","- C19 H18 F2 O2 -","- C19 H18 F2 O2 -","- C152 H144 F16 O16 -","8","1","","Li, Jie; Xue, Yu; Fan, Zhoulong; Ding, Chunyong; Zhang, Ao","Difluorination of Furonaphthoquinones.","The Journal of organic chemistry","2017","82","14","7388","7393","10.1021/acs.joc.7b01064","","","1.54178","CuKα","","0.0458","0.0438","","","0.118","0.1201","","","","","","1.069","","","","has coordinates,has disorder","200696","2020-10-21","18:00:00",""
"4032617","12.3744","0.0002","17.1213","0.0004","7.8002","0.0002","90","","98.987","0.001","90","","1632.31","0.06","173.1","","173.01","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C19 H16 F3 O3 -","- C19 H16 F3 O3 -","- C76 H64 F12 O12 -","4","1","","Li, Jie; Xue, Yu; Fan, Zhoulong; Ding, Chunyong; Zhang, Ao","Difluorination of Furonaphthoquinones.","The Journal of organic chemistry","2017","82","14","7388","7393","10.1021/acs.joc.7b01064","","","1.54178","CuKα","","0.0516","0.0489","","","0.1452","0.1492","","","","","","1.045","","","","has coordinates,has disorder","200696","2020-10-21","18:00:00",""
"4032618","10.233","0.002","11.859","0.002","12.572","0.003","103.61","0.03","95.99","0.03","96.67","0.03","1459","0.6","173.15","","173.15","","","","","","","","","4","P -1","-P 1","2","","","","- C39 H30 Cl2 O2 -","- C39 H30 Cl2 O2 -","- C78 H60 Cl4 O4 -","2","1","","Fang, Lei; Li, Meng; Lin, Wei-Bin; Shen, Yun; Chen, Chuan-Feng","Synthesis, Structures, and Photophysical Properties of Optically Stable 1,16-Diphenyl-3,14-diaryl-Substituted Tetrahydrobenzo[5]helicenediol Derivatives: Enantioselective Recognition toward Tryptophan Methyl Esters.","The Journal of organic chemistry","2017","82","14","7402","7409","10.1021/acs.joc.7b01087","","","0.71073","MoKα","","0.1445","0.1211","","","0.3053","0.3223","","","","","","1.152","","","","has coordinates,has disorder","200691","2020-10-21","18:00:00",""
"4032619","15.8256","0.0002","16.314","0.0002","29.6844","0.0003","90","","90","","90","","7663.88","0.16","150","","150","","","","","","","","","6","P c a 21","P 2c -2ac","29","","","","- C46 H37 N5 O2 S2 Zn -","- C46 H37 N5 O2 S2 Zn -","- C368 H296 N40 O16 S16 Zn8 -","8","2","","Roche, Cécile; Luo, Qianfu; Gil-Ramírez, Guzmán; Jiang, Hua-Wei; Kohn, Daniel R.; Xiong, Yaoyao; Thompson, Amber L.; Anderson, Harry L.","Unexpected Interactions between Alkyl Straps and Pyridine Ligands in Sulfur-Strapped Porphyrin Nanorings.","The Journal of organic chemistry","2017","","","","","10.1021/acs.joc.7b01128","","","0.71073","MoKα","","0.0407","0.0336","","0.0757","0.0706","0.0757","","","","","","1","","","","has coordinates","198584","2020-10-21","18:00:00",""
"4032620","20.7707","0.0001","12.2277","0.0001","15.6407","0.0001","90","","90","","90","","3972.39","0.05","150","","150","","","","","","","","","6","P n a 21","P 2c -2n","33","","","","- C47 H39 N5 O2 S2 Zn -","- C47 H39 N5 O2 S2 Zn -","- C188 H156 N20 O8 S8 Zn4 -","4","1","","Roche, Cécile; Luo, Qianfu; Gil-Ramírez, Guzmán; Jiang, Hua-Wei; Kohn, Daniel R.; Xiong, Yaoyao; Thompson, Amber L.; Anderson, Harry L.","Unexpected Interactions between Alkyl Straps and Pyridine Ligands in Sulfur-Strapped Porphyrin Nanorings.","The Journal of organic chemistry","2017","","","","","10.1021/acs.joc.7b01128","","","1.5418","CuKα","","0.0269","0.0254","","0.0678","0.0652","0.0678","","","","","","1.0008","","","","has coordinates,has disorder","198584","2020-10-21","18:00:00",""
"4032621","9.1845","0.0006","49.152","0.006","9.3517","0.0006","90","","92.324","0.005","90","","4218.2","0.6","300","","300","","","","","","","","","6","P 1 21/a 1","-P 2yab","14","","","","- C49 H43 N5 O2 S2 Zn -","- C49 H43 N5 O2 S2 Zn -","- C196 H172 N20 O8 S8 Zn4 -","4","1","","Roche, Cécile; Luo, Qianfu; Gil-Ramírez, Guzmán; Jiang, Hua-Wei; Kohn, Daniel R.; Xiong, Yaoyao; Thompson, Amber L.; Anderson, Harry L.","Unexpected Interactions between Alkyl Straps and Pyridine Ligands in Sulfur-Strapped Porphyrin Nanorings.","The Journal of organic chemistry","2017","","","","","10.1021/acs.joc.7b01128","","","1.54184","CuKα","","0.119","0.1028","","0.2579","0.2467","0.2579","","","","","","0.9997","","","","has coordinates","198584","2020-10-21","18:00:00",""
"4032622","12.1123","0.0002","25.4859","0.0005","31.6032","0.0007","90","","90","","90","","9755.7","0.3","150","","150","","","","","","","","","6","P c c n","-P 2ab 2ac","56","","","","- C49 H43 N5 O2 S2 Zn -","- C49 H43 N5 O2 S2 Zn -","- C392 H344 N40 O16 S16 Zn8 -","8","1","","Roche, Cécile; Luo, Qianfu; Gil-Ramírez, Guzmán; Jiang, Hua-Wei; Kohn, Daniel R.; Xiong, Yaoyao; Thompson, Amber L.; Anderson, Harry L.","Unexpected Interactions between Alkyl Straps and Pyridine Ligands in Sulfur-Strapped Porphyrin Nanorings.","The Journal of organic chemistry","2017","","","","","10.1021/acs.joc.7b01128","","","1.54184","CuKα","","0.0671","0.0488","","0.1302","0.1157","0.1297","","","","","","1.0486","","","","has coordinates","198584","2020-10-21","18:00:00",""
"4032623","8.6098","0.0002","14.9172","0.0003","16.4216","0.0004","84.6169","0.0018","83.504","0.0018","81.8061","0.0018","2067.68","0.08","150","","150","","","","","","","","","7","P -1","-P 1","2","","","","- C46 H35 Br2 N5 O2 S2 Zn -","- C46 H35 Br2 N5 O2 S2 Zn -","- C92 H70 Br4 N10 O4 S4 Zn2 -","2","1","","Roche, Cécile; Luo, Qianfu; Gil-Ramírez, Guzmán; Jiang, Hua-Wei; Kohn, Daniel R.; Xiong, Yaoyao; Thompson, Amber L.; Anderson, Harry L.","Unexpected Interactions between Alkyl Straps and Pyridine Ligands in Sulfur-Strapped Porphyrin Nanorings.","The Journal of organic chemistry","2017","","","","","10.1021/acs.joc.7b01128","","","1.5418","CuKα","","0.0295","0.0269","","0.0713","0.0693","0.0713","","","","","","0.9997","","","","has coordinates","198584","2020-10-21","18:00:00",""
"4032624","8.4714","0.0001","12.5943","0.0003","21.8373","0.0004","92.5573","0.0017","96.0799","0.0015","98.6538","0.0015","2286.02","0.07","150","","150","","","","","","","","","8","P -1","-P 1","2","","","","- C48 H38 Br2 Cl3 N5 O2 S2 Zn -","- C48 H38 Br2 Cl3 N5 O2 S2 Zn -","- C96 H76 Br4 Cl6 N10 O4 S4 Zn2 -","2","1","","Roche, Cécile; Luo, Qianfu; Gil-Ramírez, Guzmán; Jiang, Hua-Wei; Kohn, Daniel R.; Xiong, Yaoyao; Thompson, Amber L.; Anderson, Harry L.","Unexpected Interactions between Alkyl Straps and Pyridine Ligands in Sulfur-Strapped Porphyrin Nanorings.","The Journal of organic chemistry","2017","","","","","10.1021/acs.joc.7b01128","","","1.5418","CuKα","","0.0377","0.0362","","0.0992","0.0976","0.0992","","","","","","1.0045","","","","has coordinates,has disorder","198584","2020-10-21","18:00:00",""
"4032625","29.0785","0.0001","15.1984","0.0001","24.2182","0.0002","90","","123.5","0.0003","90","","8925.18","0.1","150","","150","","","","0","","","","","7","C 1 2/c 1","-C 2yc","15","","","","- C49 H41 Br2 N5 O2 S2 Zn -","- C49 H41 Br2 N5 O2 S2 Zn -","- C392 H328 Br16 N40 O16 S16 Zn8 -","8","1","","Roche, Cécile; Luo, Qianfu; Gil-Ramírez, Guzmán; Jiang, Hua-Wei; Kohn, Daniel R.; Xiong, Yaoyao; Thompson, Amber L.; Anderson, Harry L.","Unexpected Interactions between Alkyl Straps and Pyridine Ligands in Sulfur-Strapped Porphyrin Nanorings.","The Journal of organic chemistry","2017","","","","","10.1021/acs.joc.7b01128","","","0.71073","MoKα","","0.0464","0.0347","","0.0802","0.0718","0.0802","","","","","","1","","","","has coordinates,has disorder","198584","2020-10-21","18:00:00",""
"4032626","6.716","0.0005","12.7198","0.0009","15.1029","0.0011","90","","93.274","0.004","90","","1288.08","0.16","100","2","100","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C15 H20 O3 -","- C15 H20 O3 -","- C60 H80 O12 -","4","1","","Kalmode, Hanuman P.; Handore, Kishor L.; Reddy, D. Srinivasa","Access to Fused Tricyclic γ-Butyrolactones, A Natural Product-like Scaffold.","The Journal of organic chemistry","2017","82","14","7614","7620","10.1021/acs.joc.7b00794","","","0.71073","MoKα","","0.0748","0.0556","","","0.1318","0.1419","","","","","","1.031","","","","has coordinates","200690","2020-10-21","18:00:00",""
"4032627","13.8806","0.0007","8.3368","0.0004","10.7495","0.0005","90","","106.976","0.002","90","","1189.73","0.1","100","2","100","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C14 H18 O3 -","- C14 H18 O3 -","- C56 H72 O12 -","4","1","","Kalmode, Hanuman P.; Handore, Kishor L.; Reddy, D. Srinivasa","Access to Fused Tricyclic γ-Butyrolactones, A Natural Product-like Scaffold.","The Journal of organic chemistry","2017","82","14","7614","7620","10.1021/acs.joc.7b00794","","","0.71073","MoKα","","0.047","0.0385","","","0.0953","0.1004","","","","","","1.089","","","","has coordinates","200690","2020-10-21","18:00:00",""
"4032628","7.047","0.003","13.916","0.005","14.573","0.005","90","","92.186","0.006","90","","1428.1","0.9","100","2","100","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C19 H13 B F2 N2 -","- C19 H13 B F2 N2 -","- C76 H52 B4 F8 N8 -","4","1","","Golden, Jessica H.; Facendola, John W.; Sylvinson, Daniel; Baez, Cecilia Quintana; Djurovich, Peter I.; Thompson, Mark E.","Boron dipyridylmethene (DIPYR) dyes: shedding light on pyridine-based chromophores.","The Journal of organic chemistry","2017","","","","","10.1021/acs.joc.7b00786","","","0.71073","MoKα","","0.0836","0.0499","","","0.1214","0.1391","","","","","","1.011","","","","has coordinates","198650","2020-10-21","18:00:00",""
"4032629","5.8786","0.0008","15.347","0.002","17.938","0.002","90","","90","","90","","1618.3","0.4","294","1","294","1","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C14 H20 Br N O2 S -","- C14 H20 Br N O2 S -","- C56 H80 Br4 N4 O8 S4 -","4","1","","Lahosa, Alejandro; Soler, Tatiana; Arrieta, Ana; Cossio, Fernando P.; Foubelo, Francisco; Yus, Miguel","Stereoselective Coupling of N-tert-Butanesulfinyl Aldimines and β-Keto Acids: Access to β-Amino Ketones.","The Journal of organic chemistry","2017","","","","","10.1021/acs.joc.7b01178","","","0.71073","MoKα","","0.0407","0.0284","","","0.0583","0.0611","","","","","","0.915","","","","has coordinates","198651","2020-10-21","18:00:00",""
"4032630","11.538","0.0004","7.1373","0.0003","13.3704","0.0005","90","","105.677","0.004","90","","1060.1","0.07","110","2","110","2","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C18 H25 Cu F6 N3 P -","- C18 H25 Cu F6 N3 P -","- C36 H50 Cu2 F12 N6 P2 -","2","1","","Trammell, Rachel; See, Yi Yang; Herrmann, Aaron T.; Xie, Nan; Díaz, Daniel E; Siegler, Maxime A.; Baran, Phil S.; Garcia-Bosch, Isaac","Decoding the Mechanism of Intramolecular Cu-Directed Hydroxylation of sp(3) C-H Bonds.","The Journal of organic chemistry","2017","82","15","7887","7904","10.1021/acs.joc.7b01069","","","1.54178","CuKα","","0.0381","0.0347","","","0.0937","0.0971","","","","","","1.067","","","","has coordinates","200701","2020-10-21","18:00:00",""
"4032631","7.7369","0.0004","12.5096","0.0006","13.5497","0.0005","100.056","0.003","95.648","0.004","100.226","0.004","1259.37","0.1","110","2","110","2","","","","","","","","7","P -1","-P 1","2","","","","- C18 H26 Cu F6 N2 O8 S2 -","- C18 H26 Cu F6 N2 O8 S2 -","- C36 H52 Cu2 F12 N4 O16 S4 -","2","1","","Trammell, Rachel; See, Yi Yang; Herrmann, Aaron T.; Xie, Nan; Díaz, Daniel E; Siegler, Maxime A.; Baran, Phil S.; Garcia-Bosch, Isaac","Decoding the Mechanism of Intramolecular Cu-Directed Hydroxylation of sp(3) C-H Bonds.","The Journal of organic chemistry","2017","82","15","7887","7904","10.1021/acs.joc.7b01069","","","1.54178","CuKα","","0.0748","0.0528","","","0.1231","0.1291","","","","","","0.99","","","","has coordinates,has disorder","200701","2020-10-21","18:00:00",""
"4032632","6.82057","0.00013","11.84181","0.00017","43.3692","0.0007","90","","90","","90","","3502.84","0.1","110","2","110","2","","","","","","","","7","P 21 21 21","P 2ac 2ab","19","","","","- C32 H51 Cu F6 N3 O2 P -","- C32 H51 Cu F6 N3 O2 P -","- C128 H204 Cu4 F24 N12 O8 P4 -","4","1","","Trammell, Rachel; See, Yi Yang; Herrmann, Aaron T.; Xie, Nan; Díaz, Daniel E; Siegler, Maxime A.; Baran, Phil S.; Garcia-Bosch, Isaac","Decoding the Mechanism of Intramolecular Cu-Directed Hydroxylation of sp(3) C-H Bonds.","The Journal of organic chemistry","2017","82","15","7887","7904","10.1021/acs.joc.7b01069","","","1.54178","CuKα","","0.0414","0.0386","","","0.104","0.1063","","","","","","1.04","","","","has coordinates","200701","2020-10-21","18:00:00",""
"4032633","12.91725","0.0001","17.87891","0.00015","22.3041","0.0002","90","","102.634","0.0008","90","","5026.33","0.07","110","2","110","2","","","","","","","","7","P 1 21 1","P 2yb","4","","","","- C52.56 H73.11 Cu F6 N4 O2.85 P -","- C52.556 H73.112 Cu F6 N4 O2.852 P -","- C210.224 H292.448 Cu4 F24 N16 O11.408 P4 -","4","2","","Trammell, Rachel; See, Yi Yang; Herrmann, Aaron T.; Xie, Nan; Díaz, Daniel E; Siegler, Maxime A.; Baran, Phil S.; Garcia-Bosch, Isaac","Decoding the Mechanism of Intramolecular Cu-Directed Hydroxylation of sp(3) C-H Bonds.","The Journal of organic chemistry","2017","82","15","7887","7904","10.1021/acs.joc.7b01069","","","1.54178","CuKα","","0.0379","0.036","","","0.096","0.0979","","","","","","1.031","","","","has coordinates,has disorder","200701","2020-10-21","18:00:00",""
"4032634","12.5445","0.0012","11.1792","0.0007","20.415","0.002","90","","107.466","0.008","90","","2731","0.4","173","2","173","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C26 H30 N4 O4 S3 -","- C26 H30 N4 O4 S3 -","- C104 H120 N16 O16 S12 -","4","1","","Kolanji, Kubandiran; Ravat, Prince; Bogomyakov, Artem S.; Ovcharenko, Victor I.; Schollmeyer, Dieter; Baumgarten, Martin","Mixed Phenyl and Thiophene Oligomers for Bridging Nitronyl Nitroxides.","The Journal of organic chemistry","2017","","","","","10.1021/acs.joc.7b00435","","","0.71073","MoKα","","0.1643","0.0709","","","0.159","0.2159","","","","","","1.013","","","","has coordinates","198729","2020-10-21","18:00:00",""
"4032635","10.9341","0.0019","11.8693","0.0018","11.054","0.002","90","","104.497","0.007","90","","1388.9","0.4","296","2","296","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C28 H32 N4 O4 S2 -","- C28 H32 N4 O4 S2 -","- C56 H64 N8 O8 S4 -","2","0.5","","Kolanji, Kubandiran; Ravat, Prince; Bogomyakov, Artem S.; Ovcharenko, Victor I.; Schollmeyer, Dieter; Baumgarten, Martin","Mixed Phenyl and Thiophene Oligomers for Bridging Nitronyl Nitroxides.","The Journal of organic chemistry","2017","","","","","10.1021/acs.joc.7b00435","","","0.71073","MoKα","","0.2103","0.0776","","","0.0888","0.11","","","","","","1.14","","","","has coordinates","198729","2020-10-21","18:00:00",""
"4032636","11.5064","0.0009","9.9143","0.001","12.9226","0.0012","90","","112.061","0.007","90","","1366.3","0.2","120","2","120","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C32 H36 N4 O4 -","- C32 H36 N4 O4 -","- C64 H72 N8 O8 -","2","0.5","","Kolanji, Kubandiran; Ravat, Prince; Bogomyakov, Artem S.; Ovcharenko, Victor I.; Schollmeyer, Dieter; Baumgarten, Martin","Mixed Phenyl and Thiophene Oligomers for Bridging Nitronyl Nitroxides.","The Journal of organic chemistry","2017","","","","","10.1021/acs.joc.7b00435","","","1.54178","CuKα","","0.1587","0.0963","","","0.2321","0.2959","","","","","","0.961","","","","has coordinates","198729","2020-10-21","18:00:00",""
"4032637","19.907","0.002","11.6503","0.0009","12.8343","0.0012","90","","99.37","0.004","90","","2936.8","0.5","193","2","193","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","2-(5-bromothiophen-2-yl)-1,3-bis((tert-butyldimethylsilyl)oxy)- 4,4,5,5-tetramethylimidazolidine","","- C23 H45 Br N2 O2 S Si2 -","- C23 H45 Br N2 O2 S Si2 -","- C92 H180 Br4 N8 O8 S4 Si8 -","4","1","","Kolanji, Kubandiran; Ravat, Prince; Bogomyakov, Artem S.; Ovcharenko, Victor I.; Schollmeyer, Dieter; Baumgarten, Martin","Mixed Phenyl and Thiophene Oligomers for Bridging Nitronyl Nitroxides.","The Journal of organic chemistry","2017","","","","","10.1021/acs.joc.7b00435","","","0.71073","MoKα","","0.085","0.0465","","","0.0996","0.1151","","","","","","0.943","","","","has coordinates","198729","2020-10-21","18:00:00",""
"4032638","7.1928","0.0003","11.276","0.0005","19.2222","0.0009","92.856","0.004","94.94","0.004","103.966","0.004","1503.3","0.12","120","2","120","2","","","","","","","","6","P -1","-P 1","2","","2-(4-bromophenyl)-1,3-bis((tert-butyldimethylsilyl)oxy)-4,4,5,5- tetramethylimidazolidine","","- C25 H47 Br N2 O2 Si2 -","- C25 H47 Br N2 O2 Si2 -","- C50 H94 Br2 N4 O4 Si4 -","2","1","","Kolanji, Kubandiran; Ravat, Prince; Bogomyakov, Artem S.; Ovcharenko, Victor I.; Schollmeyer, Dieter; Baumgarten, Martin","Mixed Phenyl and Thiophene Oligomers for Bridging Nitronyl Nitroxides.","The Journal of organic chemistry","2017","","","","","10.1021/acs.joc.7b00435","","","0.71073","MoKα","","0.0475","0.0329","","","0.0711","0.078","","","","","","1.039","","","","has coordinates","198729","2020-10-21","18:00:00",""
"4032639","14.8434","0.0004","20.1222","0.0007","12.9937","0.0004","90","","111.258","0.002","90","","3616.9","0.2","193","2","193","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","1,3-bis((tert-butyldimethylsilyl)oxy)-4,4,5,5-tetramethyl-2-(4-(4,4,5,5- tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl)imidazolidine","","- C31 H59 B N2 O4 Si2 -","- C31 H59 B N2 O4 Si2 -","- C124 H236 B4 N8 O16 Si8 -","4","1","","Kolanji, Kubandiran; Ravat, Prince; Bogomyakov, Artem S.; Ovcharenko, Victor I.; Schollmeyer, Dieter; Baumgarten, Martin","Mixed Phenyl and Thiophene Oligomers for Bridging Nitronyl Nitroxides.","The Journal of organic chemistry","2017","","","","","10.1021/acs.joc.7b00435","","","0.71073","MoKα","","0.0535","0.0406","","","0.1037","0.1143","","","","","","1.034","","","","has coordinates,has disorder","198729","2020-10-21","18:00:00",""
"4032640","7.3684","0.0008","10.964","0.0011","40.733","0.004","84.629","0.002","88.353","0.003","73.129","0.003","3135.2","0.6","173","2","173","2","","","","","","","","6","P -1","-P 1","2","","","","- C54 H96 N4 O4 S Si4 -","- C54 H96 N4 O4 S Si4 -","- C108 H192 N8 O8 S2 Si8 -","2","1","","Kolanji, Kubandiran; Ravat, Prince; Bogomyakov, Artem S.; Ovcharenko, Victor I.; Schollmeyer, Dieter; Baumgarten, Martin","Mixed Phenyl and Thiophene Oligomers for Bridging Nitronyl Nitroxides.","The Journal of organic chemistry","2017","","","","","10.1021/acs.joc.7b00435","","","0.71073","MoKα","","0.13","0.0753","","","0.1642","0.1891","","","","","","1.043","","","","has coordinates","198729","2020-10-21","18:00:00",""
"4032641","7.1802","0.0005","11.4369","0.0008","19.3529","0.0016","98.727","0.006","90.143","0.006","104.044","0.006","1522.6","0.2","120","2","120","2","","","","","","","","5","P -1","-P 1","2","","","","- C56 H98 N4 O4 Si4 -","- C56 H98 N4 O4 Si4 -","- C56 H98 N4 O4 Si4 -","1","0.5","","Kolanji, Kubandiran; Ravat, Prince; Bogomyakov, Artem S.; Ovcharenko, Victor I.; Schollmeyer, Dieter; Baumgarten, Martin","Mixed Phenyl and Thiophene Oligomers for Bridging Nitronyl Nitroxides.","The Journal of organic chemistry","2017","","","","","10.1021/acs.joc.7b00435","","","0.71073","MoKα","","0.088","0.045","","","0.1014","0.1173","","","","","","0.922","","","","has coordinates","198729","2020-10-21","18:00:00",""
"4032642","8.7997","0.0004","10.3121","0.0005","15.5615","0.0009","90","","90","","90","","1412.1","0.12","293","2","293","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C16 H20 N2 O -","- C16 H20 N2 O -","- C64 H80 N8 O4 -","4","1","","Lu, Jia-Tian; Shi, Zi-Fa; Cao, Xiao-Ping","Total Synthesis of (-)-Chanoclavine I and an Oxygen-Substituted Ergoline Derivative.","The Journal of organic chemistry","2017","82","15","7774","7782","10.1021/acs.joc.7b00573","","","0.71073","MoKα","","0.095","0.0593","","","0.1082","0.1324","","","","","","1.099","","","","has coordinates","200702","2020-10-21","18:00:00",""
"4032643","16.635","0.002","11.1334","0.0014","19.245","0.003","90","","90.581","0.003","90","","3564.1","0.8","173","","173","","","","","","","","","2","P 1 21/n 1","-P 2yn","14","","","","- C42 F28 -","- C42 F28 -","- C168 F112 -","4","1","","Sakamoto, Youichi; Suzuki, Toshiyasu","Perfluorinated and Half-Fluorinated Rubrenes: Synthesis and Crystal Packing Arrangements.","The Journal of organic chemistry","2017","82","15","8111","8116","10.1021/acs.joc.7b01383","","","0.7107","MoKα","","","0.0734","","","","0.1222","","","","","","1.29","","","","has coordinates","200704","2020-10-21","18:00:00",""
"4032644","15.5207","0.0019","28.081","0.004","7.3931","0.0009","90","","90","","90","","3222.2","0.7","173","","173","","","","","","","","","3","P n n a","-P 2a 2bc","52","","","","- C42 H14 F14 -","- C42 H14 F14 -","- C168 H56 F56 -","4","0.5","","Sakamoto, Youichi; Suzuki, Toshiyasu","Perfluorinated and Half-Fluorinated Rubrenes: Synthesis and Crystal Packing Arrangements.","The Journal of organic chemistry","2017","82","15","8111","8116","10.1021/acs.joc.7b01383","","","0.7107","MoKα","","","0.0748","","","","0.1008","","","","","","1.243","","","","has coordinates","200704","2020-10-21","18:00:00",""
"4032645","16.0412","0.0006","9.7859","0.0003","12.6241","0.0005","90","","98.193","0.001","90","","1961.47","0.12","100","","100","","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C21 H22 B2 F3 N O2 -","- C21 H22 B2 F3 N O2 -","- C84 H88 B8 F12 N4 O8 -","4","1","","Davies, Geraint H. M.; Jouffroy, Matthieu; Sherafat, Fatemeh; Saeednia, Borna; Howshall, Casey; Molander, Gary A.","Regioselective Diversification of 2,1-Borazaronaphthalenes: Unlocking Isosteric Space via C‒H Activation","The Journal of Organic Chemistry","2017","","","","","10.1021/acs.joc.7b01331","","","0.71073","MoKα","","0.043","0.0398","","","0.1062","0.1092","","","","","","1.036","","","","has coordinates","198764","2020-10-21","18:00:00",""
"4032646","8.624","0.003","10.522","0.003","10.648","0.003","65.64","0.03","71.71","0.03","85.02","0.02","834.7","0.5","298.84","0.1","298.84","0.1","","","","","","","","4","P -1","-P 1","2","","","","- C21 H15 N3 O -","- C21 H15 N3 O -","- C42 H30 N6 O2 -","2","1","","Cheng, Bin; Zu, Bing; Bao, Bian; Li, Yun; Wang, Renqi; Zhai, Hongbin","Synthesis of Spiro[indazole-3,3'-indolin]-2'-ones via [3 + 2] Dipolar Cycloaddition of Arynes with 3-Diazoindolin-2-ones and Indazolo[2,3-c]quinazolin-6(5H)-ones by Subsequent Thermal Isomerization.","The Journal of organic chemistry","2017","82","15","8228","8233","10.1021/acs.joc.7b00990","","x-ray","0.71073","MoKα","","0.0973","0.0614","","","0.1507","0.1898","","","","","","1.016","","","","has coordinates","200706","2020-10-21","18:00:00",""
"4032647","13.8956","0.0011","15.1725","0.001","18.2472","0.0009","90","","102.099","0.007","90","","3761.6","0.4","293.26","0.1","293.26","0.1","","","","","","","","4","I 1 2/a 1","-I 2ya","15","","","","- C21 H15 N3 O -","- C21 H15 N3 O -","- C168 H120 N24 O8 -","8","1","","Cheng, Bin; Zu, Bing; Bao, Bian; Li, Yun; Wang, Renqi; Zhai, Hongbin","Synthesis of Spiro[indazole-3,3'-indolin]-2'-ones via [3 + 2] Dipolar Cycloaddition of Arynes with 3-Diazoindolin-2-ones and Indazolo[2,3-c]quinazolin-6(5H)-ones by Subsequent Thermal Isomerization.","The Journal of organic chemistry","2017","82","15","8228","8233","10.1021/acs.joc.7b00990","","x-ray","0.71073","MoKα","","0.1237","0.0714","","","0.1884","0.2182","","","","","","0.98","","","","has coordinates","200706","2020-10-21","18:00:00",""
"4032648","7.3877","0.0001","7.8178","0.0001","19.8494","0.0002","90","","90","","90","","1146.41","0.02","150","","150","","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C13 H16 O3 -","- C13 H16 O3 -","- C52 H64 O12 -","4","1","","Yan, Qiao; Bolte, Benoit; Bai, Yuhua; Banwell, Martin G.; Willis, Anthony C.; Carr, Paul D.","Studies on the Photochemical Rearrangements of Enantiomerically Pure, Polysubstituted, and Variously Annulated Bicyclo[2.2.2]octenones.","The Journal of organic chemistry","2017","82","15","8008","8022","10.1021/acs.joc.7b01243","","","1.54184","CuKα","","0.0303","0.0299","","0.0555","0.0553","0.0555","","","","","","0.999","","","","has coordinates","200700","2020-10-21","18:00:00",""
"4032649","7.4666","0.0002","12.0831","0.0005","10.8645","0.0004","90","","90","","90","","980.19","0.06","150","","150","","","","","","","","locsl","3","P 21 21 21","P 2ac 2ab","19","","","","- C11 H12 O3 -","- C11 H12 O3 -","- C44 H48 O12 -","4","1","","Yan, Qiao; Bolte, Benoit; Bai, Yuhua; Banwell, Martin G.; Willis, Anthony C.; Carr, Paul D.","Studies on the Photochemical Rearrangements of Enantiomerically Pure, Polysubstituted, and Variously Annulated Bicyclo[2.2.2]octenones.","The Journal of organic chemistry","2017","82","15","8008","8022","10.1021/acs.joc.7b01243","","","0.71073","MoKα","","0.055","0.0471","","0.1082","0.1041","0.1082","","","","","","0.9946","","","","has coordinates","200700","2020-10-21","18:00:00",""
"4032650","14.7787","0.0004","14.7787","0.0004","7.6213","0.0002","90","","90","","120","","1441.56","0.07","150","","150","","","","","","","","local","3","P 65","P 65","170","","","","- C10 H12 O2 -","- C10 H12 O2 -","- C60 H72 O12 -","6","1","","Yan, Qiao; Bolte, Benoit; Bai, Yuhua; Banwell, Martin G.; Willis, Anthony C.; Carr, Paul D.","Studies on the Photochemical Rearrangements of Enantiomerically Pure, Polysubstituted, and Variously Annulated Bicyclo[2.2.2]octenones.","The Journal of organic chemistry","2017","82","15","8008","8022","10.1021/acs.joc.7b01243","","","0.71073","MoKα","","0.048","0.045","","0.111","0.1099","0.111","","","","","","1.0274","","","","has coordinates","200700","2020-10-21","18:00:00",""
"4032651","6.26451","0.00004","12.09608","0.00009","20.26568","0.00014","90","","90","","90","","1535.65","0.018","150","","150","","","","","","","","local","3","P 21 21 21","P 2ac 2ab","19","","","","- C17 H26 O3 -","- C17 H26 O3 -","- C68 H104 O12 -","4","1","","Yan, Qiao; Bolte, Benoit; Bai, Yuhua; Banwell, Martin G.; Willis, Anthony C.; Carr, Paul D.","Studies on the Photochemical Rearrangements of Enantiomerically Pure, Polysubstituted, and Variously Annulated Bicyclo[2.2.2]octenones.","The Journal of organic chemistry","2017","82","15","8008","8022","10.1021/acs.joc.7b01243","","","1.54184","CuKα","","0.0249","0.0244","","0.0623","0.0618","0.0623","","","","","","1.0035","","","","has coordinates","200700","2020-10-21","18:00:00",""
"4032652","6.4307","0.0001","8.7685","0.0001","26.1929","0.0002","90","","90","","90","","1476.95","0.03","150","","150","","","","","","","","local","3","P 21 21 21","P 2ac 2ab","19","","","","- C16 H22 O4 -","- C16 H22 O4 -","- C64 H88 O16 -","4","1","","Yan, Qiao; Bolte, Benoit; Bai, Yuhua; Banwell, Martin G.; Willis, Anthony C.; Carr, Paul D.","Studies on the Photochemical Rearrangements of Enantiomerically Pure, Polysubstituted, and Variously Annulated Bicyclo[2.2.2]octenones.","The Journal of organic chemistry","2017","82","15","8008","8022","10.1021/acs.joc.7b01243","","","1.54184","CuKα","","0.0249","0.0243","","0.0626","0.0621","0.0626","","","","","","1.004","","","","has coordinates","200700","2020-10-21","18:00:00",""
"4032653","7.43","0.0003","9.7667","0.0003","12.1277","0.0003","90","","92.279","0.003","90","","879.37","0.05","150","","150","","","","","","","","local","3","P 1 21 1","P 2yb","4","","","","- C18 H24 O5 -","- C18 H24 O5 -","- C36 H48 O10 -","2","1","","Yan, Qiao; Bolte, Benoit; Bai, Yuhua; Banwell, Martin G.; Willis, Anthony C.; Carr, Paul D.","Studies on the Photochemical Rearrangements of Enantiomerically Pure, Polysubstituted, and Variously Annulated Bicyclo[2.2.2]octenones.","The Journal of organic chemistry","2017","82","15","8008","8022","10.1021/acs.joc.7b01243","","","0.71073","MoKα","","0.0409","0.0378","","0.0926","0.091","0.0926","","","","","","1.0179","","","","has coordinates","200700","2020-10-21","18:00:00",""
"4032654","25.6494","0.0007","14.1949","0.0004","6.2343","0.0002","90","","90","","90","","2269.85","0.12","150","","150","","","","","","","","local","4","P 21 21 21","P 2ac 2ab","19","","","","- C22 H36 O4 Si -","- C22 H36 O4 Si -","- C88 H144 O16 Si4 -","4","1","","Yan, Qiao; Bolte, Benoit; Bai, Yuhua; Banwell, Martin G.; Willis, Anthony C.; Carr, Paul D.","Studies on the Photochemical Rearrangements of Enantiomerically Pure, Polysubstituted, and Variously Annulated Bicyclo[2.2.2]octenones.","The Journal of organic chemistry","2017","82","15","8008","8022","10.1021/acs.joc.7b01243","","","0.71073","MoKα","","0.0506","0.0448","","0.1019","0.0997","0.1019","","","","","","1.039","","","","has coordinates","200700","2020-10-21","18:00:00",""
"4032655","19.9195","0.0006","11.6626","0.0003","8.7386","0.0002","90","","90","","90","","2030.09","0.09","150","","150","","","","","","","","local","3","P 21 21 21","P 2ac 2ab","19","","","","- C23 H26 O5 -","- C23 H26 O5 -","- C92 H104 O20 -","4","1","","Yan, Qiao; Bolte, Benoit; Bai, Yuhua; Banwell, Martin G.; Willis, Anthony C.; Carr, Paul D.","Studies on the Photochemical Rearrangements of Enantiomerically Pure, Polysubstituted, and Variously Annulated Bicyclo[2.2.2]octenones.","The Journal of organic chemistry","2017","82","15","8008","8022","10.1021/acs.joc.7b01243","","","0.71073","MoKα","","0.0451","0.0407","","0.1007","0.0984","0.1007","","","","","","1.0325","","","","has coordinates","200700","2020-10-21","18:00:00",""
"4032656","8.9344","0.0002","15.4099","0.0003","14.9268","0.0003","90","","90","","90","","2055.1","0.07","150","","150","","","","","","","","local","3","P 21 21 21","P 2ac 2ab","19","","","","- C23 H26 O5 -","- C23 H26 O5 -","- C92 H104 O20 -","4","1","","Yan, Qiao; Bolte, Benoit; Bai, Yuhua; Banwell, Martin G.; Willis, Anthony C.; Carr, Paul D.","Studies on the Photochemical Rearrangements of Enantiomerically Pure, Polysubstituted, and Variously Annulated Bicyclo[2.2.2]octenones.","The Journal of organic chemistry","2017","82","15","8008","8022","10.1021/acs.joc.7b01243","","","0.71073","MoKα","","0.0461","0.0423","","0.1117","0.1097","0.1117","","","","","","1.0364","","","","has coordinates","200700","2020-10-21","18:00:00",""
"4032657","7.3238","0.0001","7.5553","0.0001","14.5389","0.0002","90","","90","","90","","804.488","0.019","150","","150","","","","","","","","local","3","P 21 21 21","P 2ac 2ab","19","","","","- C9 H12 O3 -","- C9 H12 O3 -","- C36 H48 O12 -","4","1","","Yan, Qiao; Bolte, Benoit; Bai, Yuhua; Banwell, Martin G.; Willis, Anthony C.; Carr, Paul D.","Studies on the Photochemical Rearrangements of Enantiomerically Pure, Polysubstituted, and Variously Annulated Bicyclo[2.2.2]octenones.","The Journal of organic chemistry","2017","82","15","8008","8022","10.1021/acs.joc.7b01243","","","1.54184","CuKα","","0.0229","0.0226","","0.0568","0.0565","0.0568","","","","","","0.9982","","","","has coordinates","200700","2020-10-21","18:00:00",""
"4032658","18.9377","0.0005","6.2442","0.0001","14.6275","0.0005","90","","105.95","0.003","90","","1663.12","0.08","150","","150","","","","","","","","local","4","C 1 2 1","C 2y","5","","","","- C15 H26 O3 Si -","- C15 H26 O3 Si -","- C60 H104 O12 Si4 -","4","1","","Yan, Qiao; Bolte, Benoit; Bai, Yuhua; Banwell, Martin G.; Willis, Anthony C.; Carr, Paul D.","Studies on the Photochemical Rearrangements of Enantiomerically Pure, Polysubstituted, and Variously Annulated Bicyclo[2.2.2]octenones.","The Journal of organic chemistry","2017","82","15","8008","8022","10.1021/acs.joc.7b01243","","","1.54184","CuKα","","0.0344","0.0319","","0.0802","0.0787","0.0802","","","","","","0.9905","","","","has coordinates","200700","2020-10-21","18:00:00",""
"4032659","8.2335","0.00007","8.68949","0.00008","23.6396","0.0002","90","","90","","90","","1691.29","0.03","150","","150","","","","","","","","local","3","P 21 21 21","P 2ac 2ab","19","","","","- C9 H12 O3 -","- C9 H12 O3 -","- C72 H96 O24 -","8","2","","Yan, Qiao; Bolte, Benoit; Bai, Yuhua; Banwell, Martin G.; Willis, Anthony C.; Carr, Paul D.","Studies on the Photochemical Rearrangements of Enantiomerically Pure, Polysubstituted, and Variously Annulated Bicyclo[2.2.2]octenones.","The Journal of organic chemistry","2017","82","15","8008","8022","10.1021/acs.joc.7b01243","","","1.54184","CuKα","","0.0405","0.0395","","0.1123","0.1113","0.1123","","","","","","1.0111","","","","has coordinates","200700","2020-10-21","18:00:00",""
"4032660","18.3637","0.0001","14.1093","0.0001","12.0122","0.0001","90","","90","","90","","3112.35","0.04","150","","150","","","","","","","","local","4","P 21 21 2","P 2 2ab","18","","","","- C14 H26 O2 Si -","- C14 H26 O2 Si -","- C112 H208 O16 Si8 -","8","2","","Yan, Qiao; Bolte, Benoit; Bai, Yuhua; Banwell, Martin G.; Willis, Anthony C.; Carr, Paul D.","Studies on the Photochemical Rearrangements of Enantiomerically Pure, Polysubstituted, and Variously Annulated Bicyclo[2.2.2]octenones.","The Journal of organic chemistry","2017","82","15","8008","8022","10.1021/acs.joc.7b01243","","","1.54184","CuKα","","0.025","0.0248","","0.0668","0.0666","0.0668","","","","","","1.01","","","","has coordinates","200700","2020-10-21","18:00:00",""
"4032661","7.27015","0.00005","11.05109","0.00008","13.78627","0.00009","90","","90","","90","","1107.63","0.013","150","","150","","","","","","","","local","3","P 21 21 21","P 2ac 2ab","19","","","","- C13 H16 O3 -","- C13 H16 O3 -","- C52 H64 O12 -","4","1","","Yan, Qiao; Bolte, Benoit; Bai, Yuhua; Banwell, Martin G.; Willis, Anthony C.; Carr, Paul D.","Studies on the Photochemical Rearrangements of Enantiomerically Pure, Polysubstituted, and Variously Annulated Bicyclo[2.2.2]octenones.","The Journal of organic chemistry","2017","82","15","8008","8022","10.1021/acs.joc.7b01243","","","1.54184","CuKα","","0.0224","0.0221","","0.0572","0.057","0.0572","","","","","","1.006","","","","has coordinates","200700","2020-10-21","18:00:00",""
"4032662","7.2003","0.0002","8.4682","0.0002","9.4258","0.0003","90","","91.1279","0.0017","90","","574.61","0.03","200","","200","","","","","","","","local","3","P 1 21 1","P 2yb","4","","","","- C13 H16 O3 -","- C13 H16 O3 -","- C26 H32 O6 -","2","1","","Yan, Qiao; Bolte, Benoit; Bai, Yuhua; Banwell, Martin G.; Willis, Anthony C.; Carr, Paul D.","Studies on the Photochemical Rearrangements of Enantiomerically Pure, Polysubstituted, and Variously Annulated Bicyclo[2.2.2]octenones.","The Journal of organic chemistry","2017","82","15","8008","8022","10.1021/acs.joc.7b01243","","","0.71073","MoKα","","0.0509","0.0478","","0.1564","0.1524","0.1564","","","","","","1.0289","","","","has coordinates","200700","2020-10-21","18:00:00",""
"4032663","8.4949","0.0004","5.9702","0.0002","9.384","0.0004","90","","95.383","0.004","90","","473.82","0.03","150","","150","","","","","","","","","3","P 1 21 1","P 2yb","4","","","","- C11 H12 O3 -","- C11 H12 O3 -","- C22 H24 O6 -","2","1","","Yan, Qiao; Bolte, Benoit; Bai, Yuhua; Banwell, Martin G.; Willis, Anthony C.; Carr, Paul D.","Studies on the Photochemical Rearrangements of Enantiomerically Pure, Polysubstituted, and Variously Annulated Bicyclo[2.2.2]octenones.","The Journal of organic chemistry","2017","82","15","8008","8022","10.1021/acs.joc.7b01243","","","1.54184","CuKα","","0.0465","0.0454","","0.1297","0.1288","0.1297","","","","","","1.0281","","","","has coordinates","200700","2020-10-21","18:00:00",""
"4032664","7.8054","0.0001","9.792","0.0001","11.058","0.0001","90","","90","","90","","845.168","0.016","150","","150","","","","","","","","local","3","P 21 21 21","P 2ac 2ab","19","","","","- C10 H12 O2 -","- C10 H12 O2 -","- C40 H48 O8 -","4","1","","Yan, Qiao; Bolte, Benoit; Bai, Yuhua; Banwell, Martin G.; Willis, Anthony C.; Carr, Paul D.","Studies on the Photochemical Rearrangements of Enantiomerically Pure, Polysubstituted, and Variously Annulated Bicyclo[2.2.2]octenones.","The Journal of organic chemistry","2017","82","15","8008","8022","10.1021/acs.joc.7b01243","","","1.54184","CuKα","","0.0228","0.0223","","0.0566","0.0562","0.0566","","","","","","1.0076","","","","has coordinates","200700","2020-10-21","18:00:00",""
"4032665","6.9303","0.0002","7.7696","0.0002","8.6272","0.0002","90","","92.403","0.002","90","","464.13","0.02","150","","150","","","","","","","","local","3","P 1 21 1","P 2yb","4","","","","- C11 H12 O3 -","- C11 H12 O3 -","- C22 H24 O6 -","2","1","","Yan, Qiao; Bolte, Benoit; Bai, Yuhua; Banwell, Martin G.; Willis, Anthony C.; Carr, Paul D.","Studies on the Photochemical Rearrangements of Enantiomerically Pure, Polysubstituted, and Variously Annulated Bicyclo[2.2.2]octenones.","The Journal of organic chemistry","2017","82","15","8008","8022","10.1021/acs.joc.7b01243","","","1.54184","CuKα","","0.0375","0.0373","","0.1167","0.1161","0.1167","","","","","","1.0436","","","","has coordinates","200700","2020-10-21","18:00:00",""
"4032666","11.1137","0.0002","36.5155","0.0008","19.991","0.0005","90","","96.49","0.001","90","","8060.8","0.3","103","2","103","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C104 H70 Cl4 O9 -","- C104 H70 Cl4 O9 -","- C416 H280 Cl16 O36 -","4","1","","Shouda, Takaaki; Nakanishi, Kentaro; Sasamori, Takahiro; Tokitoh, Norihiro; Kuramochi, Kouji; Tsubaki, Kazunori","Synthesis and Structures of Zigzag Shaped [12]Cyclo-p-phenylene Composed of Dinaphthofuran Units and Biphenyl Units.","The Journal of organic chemistry","2017","","","","","10.1021/acs.joc.7b01053","","","0.71075","MoKα","","0.1049","0.0885","","","0.2571","0.2717","","","","","","1.051","","","","has coordinates,has disorder","198900","2020-10-21","18:00:00",""
"4032667","13.9873","0.0003","18.0922","0.0005","20.9655","0.0005","79.205","0.002","72.753","0.002","76.769","0.002","4891.6","0.2","100","","100","2","","","","","","","","6","P -1","-P 1","2","Expanded porphyrin","Ethynylene linked [40] Figure-eight Octaphyrin","","- C98 H62 F16 N4 O5 S4 -","- C97.5 H62 F16 N4 O5 S4 -","- C195 H124 F32 N8 O10 S8 -","2","1","","Sahoo, Krushna Chandra; Majewski, Marcin A.; Stępień, Marcin; Rath, Harapriya","Ethynylene-linked Figure-Eight Octaphyrin(1.2.1.1.1.2.1.1): Synthesis and Characterization of Its Two Oxidation States.","The Journal of organic chemistry","2017","82","15","8317","8322","10.1021/acs.joc.7b01592","","","0.71073","MoKα","","0.1106","0.0888","","","0.2321","0.2519","","","","","","1.022","","","","has coordinates","200703","2020-10-21","18:00:00",""
"4032668","34.451","0.0004","27.1978","0.0004","9.5573","0.0001","90","","90","","90","","8955.11","0.19","150","","150","","","","","","","","local","5","F d d 2","F 2 -2d","43","","","","- C24 H31 N O4 Si -","- C24 H31 N O4 Si -","- C384 H496 N16 O64 Si16 -","16","1","","Ma, Xiang; Gao, Nadia; Banwell, Martin G.; Carr, Paul D.; Willis, Anthony C.","A Total Synthesis of (±)-3-O-Demethylmacronine through Rearrangement of a Precursor Embodying the Haemanthidine Alkaloid Framework.","The Journal of organic chemistry","2017","82","8","4336","4341","10.1021/acs.joc.7b00340","","","1.54184","CuKα","","0.0347","0.0338","","0.0891","0.0884","0.0891","","","","","","1.0021","","","","has coordinates","199581","2020-10-21","18:00:00",""
"4032669","10.5559","0.0004","10.8496","0.0005","21.9254","0.0008","90","","90","","90","","2511.06","0.18","295.8","0.4","295.8","0.4","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C22 H25 Br F3 N O6 -","- C22 H25 Br F3 N O6 -","- C88 H100 Br4 F12 N4 O24 -","4","1","","Dong, Zhenghao; Zhu, Yuanyuan; Li, Boyu; Wang, Cui; Yan, Wenjin; Wang, Kairong; Wang, Rui","Asymmetric Synthesis of α-Trifluoromethyl Pyrrolidines through Organocatalyzed 1,3-Dipolar Cycloaddition Reaction.","The Journal of organic chemistry","2017","","","","","10.1021/acs.joc.6b02949","","","0.7107","MoKα","","0.0899","0.05","","","0.0892","0.1067","","","","","","1.055","","","","has coordinates","198978","2020-10-21","18:00:00",""
"4032670","17.1576","0.0006","12.2955","0.0006","3.8213","0.0002","90","","90","","90","","806.15","0.06","150","","150","","","","","","","","","3","P n a 21","P 2c -2n","33","","","","- C11 H8 N2 -","- C11 H8 N2 -","- C44 H32 N8 -","4","1","","Yan, Qiao; Gin, Emma; Banwell, Martin G.; Willis, Anthony C.; Carr, Paul D.","A Unified Approach to the Isomeric α-, β-, γ-, and δ-Carbolines via their 6,7,8,9-Tetrahydro Counterparts.","The Journal of organic chemistry","2017","82","8","4328","4335","10.1021/acs.joc.7b00323","","","1.54184","CuKα","","0.0338","0.0323","","0.0619","0.0605","0.0619","","","","","","1","","","","has coordinates","199582","2020-10-21","18:00:00",""
"4032671","10.6363","0.0003","10.9748","0.0002","17.3845","0.0004","98.518","0.001","99.199","0.001","114.478","0.001","1770.51","0.07","173","2","173","2","","","","","","","synthesis as described","5","P -1","-P 1","2","","","","- C31 H30 Br2 N4 O3 -","- C31 H30 Br2 N4 O3 -","- C62 H60 Br4 N8 O6 -","2","1","","Hernández-Melo, Denhy; Cervantes, Ruy; Tiburcio, Jorge","Shuttling Motion in a Host-Guest Complex Triggered by Spiropyran to Merocyanine Reversible Chemical Transformation.","The Journal of organic chemistry","2017","","","","","10.1021/acs.joc.7b00509","","x-ray","0.71073","MoKα","","0.0906","0.0787","","","0.2218","0.2387","","","","","","1.1","","","","has coordinates","198980","2020-10-21","18:00:00",""
"4032672","13.5637","0.0005","6.4493","0.0003","13.7872","0.0006","90","","95.412","0.001","90","","1200.68","0.09","100","2","100","2","","","","","","","","3","P 1 21 1","P 2yb","4","","","","- C27 H32 O8 -","- C27 H32 O8 -","- C54 H64 O16 -","2","1","","Huang, Zhongping; Williams, Russell B.; O'Neil-Johnson, Mark; Eldridge, Gary R.; Mangette, John E.; Starks, Courtney M.","A Total Synthesis of Bifidenone.","The Journal of organic chemistry","2017","","","","","10.1021/acs.joc.7b00202","","","1.54178","CuKα","","0.0242","0.0239","","","0.0626","0.0629","","","","","","1.044","","","","has coordinates","198981","2020-10-21","18:00:00",""
"4032673","8.567","0.004","26.834","0.012","9.676","0.005","90","","100.176","0.009","90","","2189.4","1.8","296","2","296","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C26 H25 N O2 S -","- C26 H25 N O2 S -","- C104 H100 N4 O8 S4 -","4","1","","Wu, Lisha; Meng, Yinfeng; Ferguson, Jamie; Wang, Lijie; Zeng, Fanlong","Palladium-Catalyzed Oxidative Annulation of ortho-Alkenylanilines and Allenes: an Access to Benzo[b]azepines.","The Journal of organic chemistry","2017","","","","","10.1021/acs.joc.7b00012","","","0.71073","MoKα","","0.0839","0.0541","","","0.1272","0.143","","","","","","1.07","","","","has coordinates","198982","2020-10-21","18:00:00",""
"4032674","9.747","0.005","9.84","0.005","26.389","0.014","90","","98.144","0.01","90","","2505","2","296","2","296","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C31 H27 N O2 S -","- C31 H27 N O2 S -","- C124 H108 N4 O8 S4 -","4","1","","Wu, Lisha; Meng, Yinfeng; Ferguson, Jamie; Wang, Lijie; Zeng, Fanlong","Palladium-Catalyzed Oxidative Annulation of ortho-Alkenylanilines and Allenes: an Access to Benzo[b]azepines.","The Journal of organic chemistry","2017","","","","","10.1021/acs.joc.7b00012","","","0.71073","MoKα","","0.0839","0.0492","","","0.1166","0.1305","","","","","","1.001","","","","has coordinates","198982","2020-10-21","18:00:00",""
"4032675","10.213","0.003","10.955","0.004","11.821","0.004","97.369","0.005","108.277","0.005","92.549","0.006","1240.4","0.7","296","2","296","2","","","","","","","","5","P -1","-P 1","2","","","","- C31 H27 N O2 S -","- C31 H27 N O2 S -","- C62 H54 N2 O4 S2 -","2","1","","Wu, Lisha; Meng, Yinfeng; Ferguson, Jamie; Wang, Lijie; Zeng, Fanlong","Palladium-Catalyzed Oxidative Annulation of ortho-Alkenylanilines and Allenes: an Access to Benzo[b]azepines.","The Journal of organic chemistry","2017","","","","","10.1021/acs.joc.7b00012","","","0.71073","MoKα","","0.0555","0.0424","","","0.1175","0.1277","","","","","","1.034","","","","has coordinates","198982","2020-10-21","18:00:00",""
"4032676","10.14845","0.00009","10.61199","0.00007","10.80864","0.0001","90","","106.88","0.0009","90","","1113.89","0.017","150","","150","","","","","","","","local","4","P 1 21 1","P 2yb","4","","","","- C23 H31 N O7 -","- C23 H31 N O7 -","- C46 H62 N2 O14 -","2","1","","Buckler, Joshua N.; Taher, Ehab S.; Fraser, Nicolas J.; Willis, Anthony C.; Carr, Paul D.; Jackson, Colin J.; Banwell, Martin G.","The Synthesis of Certain Derivatives and Analogues of (-)- and (+)-Galanthamine and an Assessment of their Capacities to Inhibit Acetylcholine Esterase.","The Journal of organic chemistry","2017","82","15","7869","7886","10.1021/acs.joc.7b01062","","","1.54184","CuKα","","0.0263","0.0258","","0.0669","0.0663","0.0669","","","","","","1.0262","","","","has coordinates","200705","2020-10-21","18:00:00",""
"4032677","11.4848","0.0005","11.4848","0.0005","28.4095","0.0015","90","","90","","120","","3245.2","0.3","223","2","223","2","","","","","","","","6","P 65","P 65","170","","","","- C22 H20 Br N O6 S -","- C22 H20 Br N O6 S -","- C132 H120 Br6 N6 O36 S6 -","6","1","","Kim, Hanna; Kim, Yerin; Kim, Sung-Gon","Organocatalytic Asymmetric Mannich/Aza-Michael Cascade Reaction of δ-Formyl-α,β-unsaturated Ketones with Cyclic N-Sulfimines: Enantioselective Synthesis of Benzosulfamidate-Fused Pyrrolidines.","The Journal of organic chemistry","2017","","","","","10.1021/acs.joc.7b01533","","","0.71073","MoKα","","0.0542","0.0303","","","0.0554","0.0616","","","","","","1.034","","","","has coordinates","199347","2020-10-21","18:00:00",""
"4032678","10.333","0.003","10.854","0.003","11.479","0.003","94.95","0.004","111.217","0.007","106.268","0.01","1126.5","0.5","298","","298","","","","","","","","","6","P -1","-P 1","2","","","","- C26 H24 Cl N O2 S -","- C26 H24 Cl N O2 S -","- C52 H48 Cl2 N2 O4 S2 -","2","1","","Mishra, Uttam K.; Yadav, Sonu; Ramasastry, S. S. V.","One-Pot Multicatalytic Approaches for the Synthesis of Cyclohepta[b]indoles, Indolotropones, and Tetrahydrocarbazoles.","The Journal of organic chemistry","2017","82","13","6729","6737","10.1021/acs.joc.7b00865","","","0.71073","MoKα","","0.087","0.0706","","","0.1964","0.2174","","","","","","1.016","","","","has coordinates","199542","2020-10-21","18:00:00",""
"4032679","9.6557","0.0003","7.6318","0.0003","12.9108","0.0004","90","","95.301","0.002","90","","947.33","0.06","100","1","100","1","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C15 H16 Cl3 N O7 S -","- C15 H16 Cl3 N O7 S -","- C30 H32 Cl6 N2 O14 S2 -","2","1","","Achary, Raghavendra; Jung, In-A; Son, Se-Mi; Lee, Hyeon-Kyu","Stereoselective Synthesis of Functionalized 1,3-Disubstituted Isoindolines via Rh(III)-Catalyzed Tandem Oxidative Olefination-Cyclization of 4-Aryl-cyclic Sulfamidate-5-Carboxylates.","The Journal of organic chemistry","2017","82","14","7223","7233","10.1021/acs.joc.7b00799","","","0.71073","MoKα","","0.0379","0.0354","","","0.0949","0.0965","","","","","","1.08","","","","has coordinates","199543","2020-10-21","18:00:00",""
"4032680","9.1818","0.0009","11.7411","0.0012","16.5296","0.0014","90","","91.51","0.008","90","","1781.3","0.3","290.38","0.1","290.38","0.1","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C22 H15 Cl N2 O -","- C22 H15 Cl N2 O -","- C88 H60 Cl4 N8 O4 -","4","1","","Tian, Miaomiao; Shi, Xiaonan; Zhang, Xinying; Fan, Xuesen","Synthesis of 4-Acylpyrazoles from Saturated Ketones and Hydrazones Featured with Multiple C(sp(3))-H Bond Functionalization and C-C Bond Cleavage and Reorganization.","The Journal of organic chemistry","2017","82","14","7363","7372","10.1021/acs.joc.7b01013","","x-ray","0.71073","MoKα","","0.069","0.0515","","","0.1179","0.1262","","","","","","1.02","","","","has coordinates","200698","2020-10-21","18:00:00",""
"4032681","12.607","0.008","5.662","0.004","18.667","0.014","90","","102.68","0.02","90","","1300","1.6","296","2","296","2","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","","","- C15 H16 O3 -","- C15 H16 O3 -","- C60 H64 O12 -","4","1","","Liu, Qiang; Wang, Junlei; Li, Dazhi; Gao, Guo-Lin; Yang, Chao; Gao, Yuan; Xia, Wujiong","Synthesis of Oxatricyclooctanes via Photoinduced Intramolecular Oxa-[4+2] Cycloaddition of Substituted o-Divinylbenzenes.","The Journal of organic chemistry","2017","82","15","7856","7868","10.1021/acs.joc.7b01055","","","0.71073","MoKα","","0.0961","0.0608","","","0.141","0.1672","","","","","","0.94","","","","has coordinates,has disorder","199545","2020-10-21","18:00:00",""
"4032682","15.9534","0.0006","11.7721","0.0004","25.1112","0.001","90","","106.034","0.004","90","","4532.5","0.3","149","0.8","149","0.8","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C46 H44 N2 O8 S2 -","- C46 H44 N2 O8 S2 -","- C184 H176 N8 O32 S8 -","4","1","","Chong, Kam-Weng; Hong, Fong-Jiao; Thomas, Noel F.; Low, Yun-Yee; Kam, Toh-Seok","Electrochemically Mediated Oxidative Transformations of Substituted 4-Methoxystilbenes: Effect of Ortho-Substituted Nucleophilic Groups.","The Journal of organic chemistry","2017","82","12","6172","6191","10.1021/acs.joc.7b00753","","","0.71073","MoKα","","0.0697","0.049","","","0.1216","0.1343","","","","","","1.025","","","","has coordinates","199546","2020-10-21","18:00:00",""
"4032683","11.6518","0.0012","10.0242","0.001","24.692","0.003","90","","103.209","0.002","90","","2807.7","0.5","293","2","293","2","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C35 H22 Cl2 N4 O Pd -","- C35 H22 Cl2 N4 O Pd -","- C140 H88 Cl8 N16 O4 Pd4 -","4","2","","Li, Guijie; Zhao, Xiangdong; Fang, Kun; Li, Jian; She, Yuanbin","CuCl-Catalyzed Hydroxylation of N-Heteroarylcarbazole Bromide: Approach for the Preparation of N-Heteroarylcarbazolyl Phenols and Its Application in the Synthesis of Phosphorescent Emitters.","The Journal of organic chemistry","2017","82","16","8634","8644","10.1021/acs.joc.7b01568","","","0.71073","MoKα","","0.0481","0.0426","","","0.1034","0.1075","","","","","","1.007","","","","has coordinates","200679","2020-10-21","18:00:00",""
"4032684","16.81","0.004","10.863","0.002","15.317","0.003","90","","90","","90","","2797","1","170","","170","","","","","","","","","4","P b c n","-P 2n 2ab","60","","","","- C17 H15 N O3 -","- C17 H15 N O3 -","- C136 H120 N8 O24 -","8","1","","Li, Yazhou; Li, Jian; Wu, Xiaowei; Zhou, Yu; Liu, Hong","Rh(III)-Catalyzed C-H Cyclization of Arylnitrones with Diazo Compounds: Access to 3-Carboxylate Substituted N-Hydroxyindoles.","The Journal of organic chemistry","2017","82","17","8984","8994","10.1021/acs.joc.7b01393","","","0.71073","MoKα","","0.0719","0.0461","","","0.1066","0.12","","","","","","1.036","","","","has coordinates","200678","2020-10-21","18:00:00",""
"4032685","11.058","0.003","16.922","0.005","14.89","0.003","90","","100.669","0.007","90","","2738.1","1.2","296","2","296","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C36 H24 F2 N2 -","- C36 H24 F2 N2 -","- C144 H96 F8 N8 -","4","1","","Maddala, Sudhakar; Mallick, Sudesh; Venkatakrishnan, Parthasarathy","Metal-Free Oxidative C-C Coupling of Arylamines Using a Quinone-Based Organic Oxidant.","The Journal of organic chemistry","2017","82","17","8958","8972","10.1021/acs.joc.7b01377","","","0.71073","MoKα","","0.1413","0.0838","","","0.2772","0.3135","","","","","","1.105","","","","has coordinates","200677","2020-10-21","18:00:00",""
"4032686","7.5489","0.0003","8.9993","0.0004","9.2731","0.0004","80.686","0.002","81.816","0.002","72.884","0.002","591.12","0.04","100","2","100","2","","","","","","","","4","P -1","-P 1","2","","","","- C15 H13 N O2 -","- C15 H13 N O2 -","- C30 H26 N2 O4 -","2","1","","Sigalov, Mark V.; Shainyan, Bagrat A.; Sterkhova, Irina V.","Photoinduced Intramolecular Bifurcate Hydrogen Bond: Unusual Mutual Influence of the Components.","The Journal of organic chemistry","2017","82","17","9075","9086","10.1021/acs.joc.7b01589","","","0.71073","MoKα","","0.1075","0.0553","","","0.116","0.1351","","","","","","1.015","","","","has coordinates","200676","2020-10-21","18:00:00",""
"4032687","7.1505","0.0017","7.8314","0.0019","15.265","0.004","101.116","0.004","90.923","0.004","96.993","0.004","831.9","0.4","150","2","150","2","","","","","","","","4","P -1","-P 1","2","","Methyl 3-(4-methoxyphenethyl)-6-methyl-2-oxopiperidine-3-carboxylate","","- C17 H23 N O4 -","- C17 H23 N O4 -","- C34 H46 N2 O8 -","2","1","","Ivanov, Konstantin L.; Villemson, Elena V.; Latyshev, Gennadij V.; Bezzubov, Stanislav I.; Majouga, Alexander G.; Melnikov, Mikhail Ya; Budynina, Ekaterina M.","Regioselective Hydrogenolysis of Donor-Acceptor Cyclopropanes with Zn-AcOH Reductive System.","The Journal of organic chemistry","2017","82","18","9537","9549","10.1021/acs.joc.7b01549","","","0.71073","MoKα","","0.0524","0.0386","","","0.0878","0.095","","","","","","1.028","","","","has coordinates","202739","2020-10-21","18:00:00",""
"4032688","23.4252","0.0019","12.5805","0.0009","24.392","0.002","90","","118.202","0.003","90","","6335","0.9","150.02","","150.02","","","","","","","","","5","P 1 2/n 1","-P 2yac","13","","","","- C74 H72 B2 N12 Ni -","- C74 H72 B2 N12 Ni -","- C296 H288 B8 N48 Ni4 -","4","1","","Ashwin G. Nair; Roy T. McBurney; Mark R.D. Gatus; D.Barney Walker; Mohan Bhadbhade; Barbara A. Messerle","Synthesis and catalytic activity of nickel(II) complexes containing NCN pincer ligands","Journal of Organometallic Chemistry","2017","845","","63","70","10.1016/j.jorganchem.2017.02.025","","","0.71073","MoKα","","0.3076","0.138","","","0.3634","0.4603","","","","","","1.162","","","","has coordinates,has disorder","200070","2020-10-21","18:00:00",""
"4032689","16.0883","0.0012","12.3222","0.0008","18.5299","0.0015","90","","109.158","0.003","90","","3470","0.4","150","2","150","","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C38 H38 B Cl N6 Ni O -","- C38 H38 B Cl N6 Ni O -","- C152 H152 B4 Cl4 N24 Ni4 O4 -","4","1","","Ashwin G. Nair; Roy T. McBurney; Mark R.D. Gatus; D.Barney Walker; Mohan Bhadbhade; Barbara A. Messerle","Synthesis and catalytic activity of nickel(II) complexes containing NCN pincer ligands","Journal of Organometallic Chemistry","2017","845","","63","70","10.1016/j.jorganchem.2017.02.025","","","0.71073","MoKα","","0.1104","0.0548","","","0.1054","0.1313","","","","","","1.009","","","","has coordinates,has disorder","200071","2020-10-21","18:00:00",""
"4032690","7.977","0.0016","8.717","0.0017","12.2","0.002","91.69","0.03","104.13","0.03","104.66","0.03","792.1","0.3","100","2","100","","","","","","","","","7","P -1","-P 1","2","","","","- C11 H12 Cl F6 N6 Ni P -","- C11 H12 Cl F6 N6 Ni P -","- C22 H24 Cl2 F12 N12 Ni2 P2 -","2","1","","Ashwin G. Nair; Roy T. McBurney; Mark R.D. Gatus; D.Barney Walker; Mohan Bhadbhade; Barbara A. Messerle","Synthesis and catalytic activity of nickel(II) complexes containing NCN pincer ligands","Journal of Organometallic Chemistry","2017","845","","63","70","10.1016/j.jorganchem.2017.02.025","","","0.71073","Synchrotron","","0.0395","0.038","","","0.0994","0.1003","","","","","","1.093","","","","has coordinates","200072","2020-10-21","18:00:00",""
"4032691","9.7933","0.0005","9.9953","0.0005","15.9261","0.0008","99.293","0.002","91.403","0.002","109.66","0.002","1443.59","0.13","150","2","150","2","","","","","","","","6","P -1","-P 1","2","","","","- C36.5 H24 Cl N O2 S2 -","- C36.5 H24 Cl N O2 S2 -","- C73 H48 Cl2 N2 O4 S4 -","2","1","","Klikar, Milan; le Poul, Pascal; Růžička, Aleš; Pytela, Oldřich; Barsella, Alberto; Dorkenoo, Kokou D.; Robin-le Guen, Françoise; Bureš, Filip; Achelle, Sylvain","Dipolar NLO Chromophores Bearing Diazine Rings as π-Conjugated Linkers.","The Journal of organic chemistry","2017","82","18","9435","9451","10.1021/acs.joc.7b01442","","","0.71073","MoKα","","0.0841","0.0538","","","0.1112","0.1244","","","","","","1.051","","","","has coordinates","202736","2020-10-21","18:00:00",""
"4032692","7.715","0.002","9.543","0.002","10.884","0.003","109.664","0.004","96.7","0.004","106.526","0.004","703.1","0.3","273.15","","273.15","","","","","","","","","4","P -1","-P 1","2","","","","- C15 H17 N3 O4 -","- C15 H17 N3 O4 -","- C30 H34 N6 O8 -","2","1","","Zheng, Jian-Feng; Hu, Xiu-Ning; Xu, Zhen; Cai, Dong-Cheng; Shen, Tai-Long; Huang, Pei-Qiang","Substrate-Controlled Chemoselective Reactions of Isocyanoacetates with Amides and Lactams.","The Journal of organic chemistry","2017","82","18","9693","9703","10.1021/acs.joc.7b01768","","","0.71073","MoKα","","0.0534","0.048","","","0.1297","0.1339","","","","","","1.05","","","","has coordinates","202737","2020-10-21","18:00:00",""
"4032693","9.1014","0.0005","5.8581","0.0004","23.9958","0.0012","90","","95.595","0.005","90","","1273.29","0.13","296.15","","296.15","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C16 H13 N O2 -","- C16 H13 N O2 -","- C64 H52 N4 O8 -","4","1","","Li, Jiu-Ling; Hu, Da-Chao; Liang, Xin-Ping; Wang, Ying-Chun; Wang, Heng-Shan; Pan, Ying-Ming","Praseodymium(III)-Catalyzed Regioselective Synthesis of C3-N-Substituted Coumarins with Coumarins and Azides.","The Journal of organic chemistry","2017","82","17","9006","9011","10.1021/acs.joc.7b01410","","","0.71073","MoKα","","0.0946","0.0558","","","0.1188","0.1427","","","","","","1.069","","","","has coordinates","200276","2020-10-21","18:00:00",""
"4032694","25.2712","0.001","5.6984","0.0002","18.5928","0.0007","90","","129.237","0.0018","90","","2073.8","0.14","100","2","100","2","","","","","","","","4","C 1 2 1","C 2y","5","","","","- C20 H24 N2 O10 -","- C20 H24 N2 O10 -","- C80 H96 N8 O40 -","4","1","","Yahata, Kenzo; Ye, Ning; Iso, Kentaro; Ai, Yanran; Lee, Jihoon; Kishi, Yoshito","Stereocontrolled Synthesis of Left Halves of Halichondrins.","The Journal of organic chemistry","2017","82","17","8808","8830","10.1021/acs.joc.7b01284","","","1.54178","CuKα","","0.0308","0.0293","","","0.0759","0.0773","","","","","","1.046","","","","has coordinates","200277","2020-10-21","18:00:00",""
"4032695","14.3345","0.0008","21.1548","0.0012","34.813","0.002","90","","90","","90","","10556.8","1","100","2","100","2","","","","","","","","8","P 21 21 21","P 2ac 2ab","19","","","","- C50.5 H51 Cl F6 N4 P Rh S2 -","- C50.5 H51 Cl F6 N4 P Rh S2 -","- C404 H408 Cl8 F48 N32 P8 Rh8 S16 -","8","2","","Luo, Shipeng; Zhang, Xiao; Zheng, Yu; Harms, Klaus; Zhang, Lilu; Meggers, Eric","Enantioselective Alkynylation of Aromatic Aldehydes Catalyzed by a Sterically Highly Demanding Chiral-at-Rhodium Lewis Acid.","The Journal of organic chemistry","2017","82","17","8995","9005","10.1021/acs.joc.7b01394","","","0.71073","MoKα","","0.1014","0.0652","","","0.126","0.1376","","","","","","1.026","","","","has coordinates,has disorder","200278","2020-10-21","18:00:00",""
"4032696","11.0301","0.0001","17.6976","0.0003","19.2949","0.0003","90","","90","","90","","3766.49","0.09","100","2","100","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C41 H58 O13 -","- C41 H58 O13 -","- C164 H232 O52 -","4","1","","Yahata, Kenzo; Ye, Ning; Iso, Kentaro; Naini, Santhosh Reddy; Yamashita, Shuji; Ai, Yanran; Kishi, Yoshito","Unified Synthesis of Right Halves of Halichondrins A-C.","The Journal of organic chemistry","2017","82","17","8792","8807","10.1021/acs.joc.7b01283","","","1.54178","CuKα","","0.0396","0.0384","","","0.1012","0.1018","","","","","","1.038","","","","has coordinates,has disorder","200279","2020-10-21","18:00:00",""
"4032697","7.4257","0.0008","7.4764","0.0008","23.433","0.002","90","","90","","90","","1300.9","0.2","123","","123","","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C14 H18 O4 -","- C14 H18 O4 -","- C56 H72 O16 -","4","1","","Nakazaki, Atsuo; Hashimoto, Keiko; Ikeda, Ai; Shibata, Takahiro; Nishikawa, Toshio","De Novo Synthesis of Possible Candidates for the Inagami-Tamura Endogenous Digitalis-like Factor.","The Journal of organic chemistry","2017","82","17","9097","9111","10.1021/acs.joc.7b01640","","","1.54187","CuKα","","0.0558","0.0528","","","0.1371","0.1404","","","","","","1.082","","","","has coordinates","200280","2020-10-21","18:00:00",""
"4032698","5.8858","0.0004","13.567","0.001","15.5282","0.0011","90","","90","","90","","1239.97","0.15","296","2","296","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C15 H11 Cl O -","- C15 H11 Cl O -","- C60 H44 Cl4 O4 -","4","1","","Xiang, Jia-Chen; Wang, Zi-Xuan; Cheng, Yan; Xia, Shi-Qing; Wang, Miao; Tang, Bo-Cheng; Wu, Yan-Dong; Wu, An-Xin","Divergent Synthesis of Functionalized Quinolines from Aniline and Two Distinct Amino Acids.","The Journal of organic chemistry","2017","82","17","9210","9216","10.1021/acs.joc.7b01501","","","0.71073","MoKα","","0.0449","0.0348","","","0.0855","0.0923","","","","","","0.988","","","","has coordinates","200281","2020-10-21","18:00:00",""
"4032699","7.26","0.003","9.935","0.004","14.865","0.006","94.186","0.012","102.936","0.011","99.694","0.012","1023.2","0.7","296","2","296","2","","","","","","","","3","P -1","-P 1","2","","","","- C31 H19 N -","- C31 H19 N -","- C62 H38 N2 -","2","1","","Xiang, Jia-Chen; Wang, Zi-Xuan; Cheng, Yan; Xia, Shi-Qing; Wang, Miao; Tang, Bo-Cheng; Wu, Yan-Dong; Wu, An-Xin","Divergent Synthesis of Functionalized Quinolines from Aniline and Two Distinct Amino Acids.","The Journal of organic chemistry","2017","82","17","9210","9216","10.1021/acs.joc.7b01501","","","0.71073","MoKα","","0.1363","0.076","","","0.1853","0.2348","","","","","","0.942","","","","has coordinates","200282","2020-10-21","18:00:00",""
"4032700","9.1218","0.0014","16.221","0.003","11.9435","0.0018","90","","100.444","0.003","90","","1737.9","0.5","296","2","296","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C22 H16 Cl N -","- C22 H16 Cl N -","- C88 H64 Cl4 N4 -","4","1","","Xiang, Jia-Chen; Wang, Zi-Xuan; Cheng, Yan; Xia, Shi-Qing; Wang, Miao; Tang, Bo-Cheng; Wu, Yan-Dong; Wu, An-Xin","Divergent Synthesis of Functionalized Quinolines from Aniline and Two Distinct Amino Acids.","The Journal of organic chemistry","2017","82","17","9210","9216","10.1021/acs.joc.7b01501","","","0.71073","MoKα","","0.0966","0.0704","","","0.1999","0.2197","","","","","","1.085","","","","has coordinates,has disorder","200284","2020-10-21","18:00:00",""
"4032701","16.373","0.003","17.935","0.002","18.38","0.003","90","","114.773","0.003","90","","4900.6","1.3","100","2","100","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C44 H56 Cl6 N6 O6 -","- C44 H56 Cl6 N6 O6 -","- C176 H224 Cl24 N24 O24 -","4","1","","D'Amato, Assunta; Volpe, Raffaele; Vaccaro, Maria Carmela; Terracciano, Stefania; Bruno, Ines; Tosolini, Massimo; Tedesco, Consiglia; Pierri, Giovanni; Tecilla, Paolo; Costabile, Chiara; Della Sala, Giorgio; Izzo, Irene; De Riccardis, Francesco","Cyclic Peptoids as Mycotoxin Mimics: An Exploration of Their Structural and Biological Properties.","The Journal of organic chemistry","2017","82","17","8848","8863","10.1021/acs.joc.7b00965","","","0.71073","MoKα","","0.1733","0.0888","","","0.2278","0.3026","","","","","","0.906","","","","has coordinates","200285","2020-10-21","18:00:00",""
"4032702","8.059","0.0001","9.22611","0.00012","13.21005","0.00017","90","","90","","90","","982.21","0.02","150","2","150","0.1","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C9 H15 N O3 -","- C9 H15 N O3 -","- C36 H60 N4 O12 -","4","1","","Mykhailiuk, Pavel K.; Kubyshkin, Vladimir; Bach, Thorsten; Budisa, Nediljko","Peptidyl-Prolyl Model Study: How Does the Electronic Effect Influence the Amide Bond Conformation?","The Journal of organic chemistry","2017","82","17","8831","8841","10.1021/acs.joc.7b00803","","x-ray","1.54184","CuKα","","0.0272","0.0261","","","0.0678","0.0685","","","","","","1.076","","","","has coordinates","200286","2020-10-21","18:00:00",""
"4032703","7.4091","0.0005","7.9981","0.0005","15.5815","0.0009","90","","90","","90","","923.34","0.1","150","2","150","0.1","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C9 H13 N O3 -","- C9 H13 N O3 -","- C36 H52 N4 O12 -","4","1","","Mykhailiuk, Pavel K.; Kubyshkin, Vladimir; Bach, Thorsten; Budisa, Nediljko","Peptidyl-Prolyl Model Study: How Does the Electronic Effect Influence the Amide Bond Conformation?","The Journal of organic chemistry","2017","82","17","8831","8841","10.1021/acs.joc.7b00803","","x-ray","1.54184","CuKα","","0.041","0.0374","","","0.0981","0.1018","","","","","","1.06","","","","has coordinates","200286","2020-10-21","18:00:00",""
"4032704","7.54257","0.00009","12.11651","0.00015","10.64996","0.00013","90","","95.459","0.0012","90","","968.88","0.02","150","2","150","0.1","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C9 H12 F N O3 -","- C9 H12 F N O3 -","- C36 H48 F4 N4 O12 -","4","1","","Mykhailiuk, Pavel K.; Kubyshkin, Vladimir; Bach, Thorsten; Budisa, Nediljko","Peptidyl-Prolyl Model Study: How Does the Electronic Effect Influence the Amide Bond Conformation?","The Journal of organic chemistry","2017","82","17","8831","8841","10.1021/acs.joc.7b00803","","x-ray","1.54184","CuKα","","0.0352","0.0341","","","0.0865","0.0872","","","","","","1.046","","","","has coordinates","200286","2020-10-21","18:00:00",""
"4032705","6.3961","0.0004","8.4683","0.0007","21.9193","0.0013","90","","90","","90","","1187.24","0.14","293","2","293","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C13 H12 F N O3 -","- C13 H12 F N O3 -","- C52 H48 F4 N4 O12 -","4","1","","Mykhailiuk, Pavel K.; Kubyshkin, Vladimir; Bach, Thorsten; Budisa, Nediljko","Peptidyl-Prolyl Model Study: How Does the Electronic Effect Influence the Amide Bond Conformation?","The Journal of organic chemistry","2017","82","17","8831","8841","10.1021/acs.joc.7b00803","","","0.71073","MoKα","","0.1557","0.0523","","","0.0983","0.1255","","","","","","0.826","","","","has coordinates","200286","2020-10-21","18:00:00",""
"4032706","11.0025","0.0008","6.3472","0.0005","20.4018","0.0016","90","","105.422","0.007","90","","1373.46","0.19","293","2","293","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C15 H17 N O3 -","- C15 H17 N O3 -","- C60 H68 N4 O12 -","4","1","","Mykhailiuk, Pavel K.; Kubyshkin, Vladimir; Bach, Thorsten; Budisa, Nediljko","Peptidyl-Prolyl Model Study: How Does the Electronic Effect Influence the Amide Bond Conformation?","The Journal of organic chemistry","2017","82","17","8831","8841","10.1021/acs.joc.7b00803","","","0.71073","MoKα","","0.0744","0.0471","","","0.1137","0.1287","","","","","","0.956","","","","has coordinates","200286","2020-10-21","18:00:00",""
"4032707","24.3119","0.0007","24.3119","0.0007","13.9782","0.0008","90","","90","","90","","8262.1","0.6","187","2","187.65","","","","","","","","","3","I 4/m","-I 4","87","","","","- C79 H8 S2 -","- C79 H8 S2 -","- C632 H64 S16 -","8","0.5","","Yang, Wei-Wei; Li, Zong-Jun; Li, Shu-Hui; Wu, Sheng-Li; Shi, Zujin; Gao, Xiang","Reductive Activation of C70 Equatorial Carbons and Structurally Characterized C70 δ-Adduct with Closed [5,6]-Ring Fusion.","The Journal of organic chemistry","2017","82","17","9253","9257","10.1021/acs.joc.7b01756","","","0.71073","MoKα","","0.1036","0.0685","","","0.1555","0.1707","","","","","","1.1","","","","has coordinates,has disorder","200287","2020-10-21","18:00:00",""
"4032708","9.19","0.003","9.284","0.003","15.827","0.005","85.938","0.008","76.094","0.007","63.729","0.007","1174.4","0.7","200","2","200","2","","","","","","","","3","P -1","-P 1","2","","","","- C30 H26 O5 -","- C30 H26 O5 -","- C60 H52 O10 -","2","1","","Yang, Shu-Mei; Tsai, Yi-Ling; Reddy, Ganapuram Madhusudhan; Möhlmann, Lennart; Lin, Wenwei","Chemo- and Diastereoselective Michael-Michael-Acetalization Cascade for the Synthesis of 1,3-Indandione-Fused Spiro[4.5]decan Scaffolds.","The Journal of organic chemistry","2017","82","17","9182","9190","10.1021/acs.joc.7b01415","","","0.71073","MoKα","","0.081","0.0488","","","0.1152","0.1329","","","","","","1.037","","","","has coordinates","200288","2020-10-21","18:00:00",""
"4032709","6.0771","0.0002","8.0868","0.0003","21.8099","0.0009","90","","94.06","0.007","90","","1069.14","0.07","173","","173","","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C26 H27 Fe N O3 -","- C26 H27 Fe N O3 -","- C52 H54 Fe2 N2 O6 -","2","1","","Koizumi, Akihiro; Harada, Masato; Haraguchi, Ryosuke; Fukuzawa, Shin-Ichi","Chiral Silver Complex-Catalyzed Diastereoselective and Enantioselective Michael Addition of 1-Pyrroline-5-carboxylates to α-Enones.","The Journal of organic chemistry","2017","82","17","8927","8932","10.1021/acs.joc.7b01335","","","0.71075","MoKα","","0.0456","0.0421","","","0.1095","0.111","","","","","","1","","","","has coordinates","200289","2020-10-21","18:00:00",""
"4032710","13.8556","0.0015","10.2243","0.0011","21.102","0.002","90","","97","0.002","90","","2967.1","0.5","190","","190","","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C35 H22 Cl2 N4 O Pt -","- C35 H22 Cl2 N4 O Pt -","- C140 H88 Cl8 N16 O4 Pt4 -","4","1","","Li, Guijie; Zhao, Xiangdong; Fang, Kun; Li, Jian; She, Yuanbin","CuCl-Catalyzed Hydroxylation of N-Heteroarylcarbazole Bromide: Approach for the Preparation of N-Heteroarylcarbazolyl Phenols and Its Application in the Synthesis of Phosphorescent Emitters.","The Journal of organic chemistry","2017","82","16","8634","8644","10.1021/acs.joc.7b01568","","","0.71073","MoKα","","0.0904","0.0444","","","0.0843","0.0982","","","","","","1.017","","","","has coordinates","200290","2020-10-21","18:00:00",""
"4032711","15.8397","0.0012","12.254","0.0009","8.6865","0.0005","90","","99.967","0.006","90","","1660.6","0.2","170","","170","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C22 H15 N O -","- C22 H15 N O -","- C88 H60 N4 O4 -","4","1","","Sun, Lang; Liu, Peng; Wang, Jing; Lu, Ping; Wang, Yanguang","Preparation of Spiro[indene-1,1'-isoindolin]-3'-ones via Sulfuric Acid-Promoted Cascade Cyclization.","The Journal of organic chemistry","2017","82","16","8407","8418","10.1021/acs.joc.7b00958","","","0.71073","MoKα","","0.0616","0.0411","","","0.087","0.1017","","","","","","1.071","","","","has coordinates","200291","2020-10-21","18:00:00",""
"4032712","17.5747","0.0007","9.0437","0.0004","22.3355","0.0011","90","","90","","90","","3550","0.3","293","2","293.15","","","","","","","","","5","P n a 21","P 2c -2n","33","","","","- C22 H14 I N O -","- C22 H14 I N O -","- C176 H112 I8 N8 O8 -","8","2","","Sun, Lang; Liu, Peng; Wang, Jing; Lu, Ping; Wang, Yanguang","Preparation of Spiro[indene-1,1'-isoindolin]-3'-ones via Sulfuric Acid-Promoted Cascade Cyclization.","The Journal of organic chemistry","2017","82","16","8407","8418","10.1021/acs.joc.7b00958","","","0.71073","MoKα","","0.0488","0.0331","","","0.0753","0.0857","","","","","","1.085","","","","has coordinates","200292","2020-10-21","18:00:00",""
"4032713","8.8756","0.0007","19.3954","0.0011","10.7433","0.0007","90","","94.89","0.007","90","","1842.7","0.2","171.4","","171.4","","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C22 H15 N O -","- C22 H15 N O -","- C88 H60 N4 O4 -","4","1","","Sun, Lang; Liu, Peng; Wang, Jing; Lu, Ping; Wang, Yanguang","Preparation of Spiro[indene-1,1'-isoindolin]-3'-ones via Sulfuric Acid-Promoted Cascade Cyclization.","The Journal of organic chemistry","2017","82","16","8407","8418","10.1021/acs.joc.7b00958","","","0.71073","MoKα","","0.0744","0.0551","","","0.1623","0.1789","","","","","","1.055","","","","has coordinates","200293","2020-10-21","18:00:00",""
"4032714","11.9098","0.0005","11.9888","0.0005","19.7512","0.0009","78.161","0.002","79.589","0.002","85.415","0.002","2712","0.2","100","2","100","2","","","","","","","","3","P -1","-P 1","2","","","","- C56 H42 N20 -","- C56 H42 N20 -","- C56 H42 N20 -","1","0.5","","Beaudoin, Daniel; Blair-Pereira, Joao-Nicolas; Langis-Barsetti, Sophie; Maris, Thierry; Wuest, James D.","Predictably Ordered Open Hydrogen-Bonded Networks Built from Indeno[1,2-b]fluorenes.","The Journal of organic chemistry","2017","82","16","8536","8547","10.1021/acs.joc.7b01333","","","1.34139","GaKα","","0.1154","0.1044","","","0.3243","0.3368","","","","","","1.452","","","","has coordinates","200294","2020-10-21","18:00:00",""
"4032715","11.6172","0.0005","14.6794","0.0006","17.7544","0.0008","77.537","0.002","72.168","0.002","81.93","0.002","2805.3","0.2","100","","100","","","","","","","","Synthesized by the authors. See text","5","P -1","-P 1","2","","","","- C98 H128 N20 O21 S3 -","- C98 H128 N20 O21 S3 -","- C98 H128 N20 O21 S3 -","1","0.5","","Beaudoin, Daniel; Blair-Pereira, Joao-Nicolas; Langis-Barsetti, Sophie; Maris, Thierry; Wuest, James D.","Predictably Ordered Open Hydrogen-Bonded Networks Built from Indeno[1,2-b]fluorenes.","The Journal of organic chemistry","2017","82","16","8536","8547","10.1021/acs.joc.7b01333","","","1.54178","CuKα","","0.0966","0.0945","","","0.2211","0.2222","","","","","","1.021","","","","has coordinates,has disorder","200295","2020-10-21","18:00:00",""
"4032716","11.7748","0.0015","14.6484","0.0019","16.718","0.0022","80.848","0.006","88.264","0.006","79.23","0.006","2796.7","0.6","150","","150","","","","","","","","Synthesized by the authors. See text","5","P -1","-P 1","2","","","","- C76 H98 N20 O10 S10 -","- C76 H98 N20 O10 S10 -","- C76 H98 N20 O10 S10 -","1","0.5","","Beaudoin, Daniel; Blair-Pereira, Joao-Nicolas; Langis-Barsetti, Sophie; Maris, Thierry; Wuest, James D.","Predictably Ordered Open Hydrogen-Bonded Networks Built from Indeno[1,2-b]fluorenes.","The Journal of organic chemistry","2017","82","16","8536","8547","10.1021/acs.joc.7b01333","","","1.54178","CuKα","","0.0645","0.0614","","","0.2141","0.2208","","","","","","1.023","","","","has coordinates,has disorder","200296","2020-10-21","18:00:00",""
"4032717","11.9255","0.0004","11.9827","0.0004","19.5388","0.0007","80.272","0.002","77.044","0.002","85.171","0.002","2678.77","0.16","100","","100","","","","","","","","Synthesized by the authors. See text","3","P -1","-P 1","2","","","","- C28 H21 N10 -","- C28 H21 N10 -","- C56 H42 N20 -","2","1","","Beaudoin, Daniel; Blair-Pereira, Joao-Nicolas; Langis-Barsetti, Sophie; Maris, Thierry; Wuest, James D.","Predictably Ordered Open Hydrogen-Bonded Networks Built from Indeno[1,2-b]fluorenes.","The Journal of organic chemistry","2017","82","16","8536","8547","10.1021/acs.joc.7b01333","","","1.54178","CuKα","","0.0957","0.0864","","","0.2446","0.2523","","","","","","1.048","","","","has coordinates","200297","2020-10-21","18:00:00",""
"4032718","8.1916","0.0005","14.7394","0.001","22.3861","0.0013","98.184","0.004","90.73","0.002","101.655","0.002","2617.8","0.3","100","","100","","","","","","","","Synthesized by the authors. See text","6","P -1","-P 1","2","","","","- C74 H88 Cl6 N20 O8 S8 -","- C74 H88 Cl6 N20 O8 S8 -","- C74 H88 Cl6 N20 O8 S8 -","1","0.5","","Beaudoin, Daniel; Blair-Pereira, Joao-Nicolas; Langis-Barsetti, Sophie; Maris, Thierry; Wuest, James D.","Predictably Ordered Open Hydrogen-Bonded Networks Built from Indeno[1,2-b]fluorenes.","The Journal of organic chemistry","2017","82","16","8536","8547","10.1021/acs.joc.7b01333","","","1.54178","CuKα","","0.0827","0.0815","","","0.1984","0.1992","","","","","","1.011","","","","has coordinates,has disorder","200298","2020-10-21","18:00:00",""
"4032719","7.9578","0.0003","14.6936","0.0005","24.4705","0.001","90","","97.184","0.003","90","","2838.84","0.19","293","2","293","2","","","","","","","","4","I 1 2/a 1","-I 2ya","15","","","","- C13 H14 N O4 -","- C13 H14 N O4 -","- C104 H112 N8 O32 -","8","1","","Yu, Yunliang; Kuai, Changsheng; Chauvin, Remi; Tian, Nian; Ma, Shuangshuang; Cui, Xiuling","Rh-Catalyzed Regioselective ortho-C-H Carbenoid Insertion of Diarylazines.","The Journal of organic chemistry","2017","82","16","8611","8616","10.1021/acs.joc.7b01472","","x-ray","0.71073","MoKα","","0.087","0.0711","","","0.2092","0.2257","","","","","","1.074","","","","has coordinates,has disorder","200299","2020-10-21","18:00:00",""
"4032720","12.353","0.002","17.154","0.003","16.604","0.003","90","","102.32","0.002","90","","3437.4","1","173.15","","173.15","","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C28 H56 Cl N3 O4 S2 -","- C28 H56 Cl N3 O4 S2 -","- C112 H224 Cl4 N12 O16 S8 -","4","2","","Li, Yao; Yang, Guo-Hui; Shen, Ye-Ye; Xue, Xiao-Song; Li, Xin; Cheng, Jin-Pei","N-tert-Butyl Sulfinyl Squaramide Receptors for Anion Recognition through Assisted tert-Butyl C-H Hydrogen Bonding.","The Journal of organic chemistry","2017","82","16","8662","8667","10.1021/acs.joc.7b01634","","","0.71073","MoKα","","0.0631","0.0591","","","0.1346","0.1375","","","","","","1.101","","","","has coordinates","200300","2020-10-21","18:00:00",""
"4032721","8.9174","0.0004","11.0306","0.0005","13.5851","0.0006","83.681","0.004","82.834","0.004","86.455","0.004","1316.23","0.1","150","2","150","2","","","","","","","","4","P -1","-P 1","2","","","","- C17 H17 N O -","- C17 H17 N O -","- C68 H68 N4 O4 -","4","2","","Kotha, Sambasivarao; Gunta, Rama","Synthesis of Intricate Fused N-Heterocycles via Ring-Rearrangement Metathesis.","The Journal of organic chemistry","2017","82","16","8527","8535","10.1021/acs.joc.7b01299","","","0.71073","MoKα","","0.0781","0.0546","","","0.1226","0.1409","","","","","","1.05","","","","has coordinates","200301","2020-10-21","18:00:00",""
"4032722","20.989","0.0005","21.5927","0.0006","23.4837","0.0005","90","","90","","90","","10643","0.5","100.05","0.1","100.05","0.1","","","","","","","","6","P b c a","-P 2ac 2ab","61","","","","- C50 H59 F12 N3 O14 P2 -","- C47 H53 F12 N3 O13 P2 -","- C376 H424 F96 N24 O104 P16 -","8","1","","Pederson, Adam M.-P.; Price, Jr, Terry L; Slebodnick, Carla; Schoonover, Daniel V.; Gibson, Harry W.","The Long and the Short of It: Regiospecific Syntheses of Isomers of Dicarbomethoxydibenzo-27-crown-9 and Binding Abilities of Their Pyridyl Cryptands.","The Journal of organic chemistry","2017","82","16","8489","8496","10.1021/acs.joc.7b01242","","x-ray","0.71073","MoKα","","0.1744","0.1245","","","0.3188","0.3567","","","","","","1.212","","","","has coordinates,has disorder","200302","2020-10-21","18:00:00",""
"4032723","18.0919","0.001","7.0413","0.0003","13.4921","0.0009","90","","111.573","0.007","90","","1598.37","0.17","100.01","0.1","100.01","0.1","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","Methyl 2-(4-bromophenyl)-5-(4-nitrophenyl)-1H-pyrrole-3-carboxylate","","- C18 H13 Br N2 O4 -","- C18 H13 Br N2 O4 -","- C72 H52 Br4 N8 O16 -","4","1","","Galenko, Ekaterina E.; Bodunov, Vladimir A.; Galenko, Alexey V.; Novikov, Mikhail S.; Khlebnikov, Alexander F.","Fe(II)-Catalyzed Isomerization of 4-Vinylisoxazoles into Pyrroles.","The Journal of organic chemistry","2017","82","16","8568","8579","10.1021/acs.joc.7b01351","","","0.71073","MoKα","","0.0389","0.03","","","0.0655","0.0693","","","","","","1.044","","","","has coordinates","200303","2020-10-21","18:00:00",""
"4032724","10.5193","0.0007","14.9054","0.001","17.3335","0.0011","72.95","0.005","89.888","0.006","80.191","0.006","2557","0.3","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","","","- C55 H29 F12 N5 Ni -","- C55 H29 F12 N5 Ni -","- C110 H58 F24 N10 Ni2 -","2","1","","Sakashita, Ryuichi; Oka, Yasutaka; Akimaru, Hisanori; Kesavan, Praseetha E.; Ishida, Masatoshi; Toganoh, Motoki; Ishizuka, Tomoya; Mori, Shigeki; Furuta, Hiroyuki","Tautomerism-Induced Cis-Trans Isomerization of Pyridylethenyl N-Confused Porphyrin.","The Journal of organic chemistry","2017","82","16","8686","8696","10.1021/acs.joc.7b01770","","","1.54187","CuKα","","0.1384","0.0904","","","0.218","0.2412","","","","","","1.036","","","","has coordinates,has disorder","200304","2020-10-21","18:00:00",""
"4032725","29.698","0.019","16.005","0.01","22.173","0.014","90","","107.336","0.007","90","","10060","11","123","2","123","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C55 H28 Ag F12 N5 -","- C55 H28 Ag F12 N5 -","- C440 H224 Ag8 F96 N40 -","8","1","","Sakashita, Ryuichi; Oka, Yasutaka; Akimaru, Hisanori; Kesavan, Praseetha E.; Ishida, Masatoshi; Toganoh, Motoki; Ishizuka, Tomoya; Mori, Shigeki; Furuta, Hiroyuki","Tautomerism-Induced Cis-Trans Isomerization of Pyridylethenyl N-Confused Porphyrin.","The Journal of organic chemistry","2017","82","16","8686","8696","10.1021/acs.joc.7b01770","","","0.71075","MoKα","","0.1276","0.0863","","","0.1852","0.2131","","","","","","1.074","","","","has coordinates,has disorder","200305","2020-10-21","18:00:00",""
"4032726","16.9866","0.0013","7.995","0.0006","11.8016","0.0009","90","","90","","90","","1602.8","0.2","120","2","120","2","","","","","","","","4","P b c n","-P 2n 2ab","60","","","","- C8 H9 N2 O2 -","- C8 H9 N2 O2 -","- C64 H72 N16 O16 -","8","1","","Otevrel, Jan; Bobal, Pavel","Diamine-Tethered Bis(thiourea) Organocatalyst for Asymmetric Henry Reaction.","The Journal of organic chemistry","2017","82","16","8342","8358","10.1021/acs.joc.7b00079","","","0.71073","MoKα","","0.0346","0.0326","","","0.0894","0.091","","","","","","1.058","","","","has coordinates","200306","2020-10-21","18:00:00",""
"4032727","8.6855","0.0006","9.5744","0.0007","11.5557","0.0008","72.188","0.002","79.727","0.002","77.247","0.002","885.94","0.11","120","2","120","2","","","","","","","","4","P -1","-P 1","2","","","","- C18 H18 N4 O6 -","- C18 H18 N4 O6 -","- C36 H36 N8 O12 -","2","1","","Otevrel, Jan; Bobal, Pavel","Diamine-Tethered Bis(thiourea) Organocatalyst for Asymmetric Henry Reaction.","The Journal of organic chemistry","2017","82","16","8342","8358","10.1021/acs.joc.7b00079","","","0.71073","MoKα","","0.0351","0.0331","","","0.0939","0.0959","","","","","","1.081","","","","has coordinates","200307","2020-10-21","18:00:00",""
"4032728","8.0603","0.0011","18.448","0.003","10.7581","0.0015","90","","95.777","0.002","90","","1591.6","0.4","296","2","296","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C20 H18 N2 O -","- C20 H18 N2 O -","- C80 H72 N8 O4 -","4","1","","Kinthada, Lakshmana K.; Medisetty, Sai Raghavendra; Parida, Amarchand; Babu, K. Naresh; Bisai, Alakesh","FeCl3-Catalyzed Allylation Reactions onto 3-Hydroxy-2-oxindoles: Formal Total Syntheses of Bis-cyclotryptamine Alkaloids, (±)-Chimonanthine, and (±)-Folicanthine.","The Journal of organic chemistry","2017","82","16","8548","8567","10.1021/acs.joc.7b01232","","","0.71073","MoKα","","0.0776","0.0531","","","0.1485","0.1661","","","","","","1.028","","","","has coordinates","200308","2020-10-21","18:00:00",""
"4032729","7.2895","0.0006","9.234","0.0008","11.6572","0.001","100.23","0.0011","102.319","0.0011","96.3662","0.0012","745.32","0.11","90","2","90","2","","","","","","","","4","P 1","P 1","1","","","","- C40 H30 O3 Si2 -","- C40 H30 O3 Si2 -","- C40 H30 O3 Si2 -","1","1","","Diemoz, Kayla M.; Hein, Jason E.; Wilson, Sean O.; Fettinger, James C.; Franz, Annaliese K.","Reaction Progress Kinetics Analysis of 1,3-Disiloxanediols as Hydrogen-Bonding Catalysts.","The Journal of organic chemistry","2017","82","13","6738","6747","10.1021/acs.joc.7b00875","","","0.71073","MoKα","","0.0379","0.0374","","","0.1012","0.1018","","","","","","1.08","","","","has coordinates","200309","2020-10-21","18:00:00",""
"4032730","8.282","0.006","9.706","0.009","10.928","0.007","113.515","0.011","93.064","0.001","114.23","0.03","709.3","1","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","","","- C34 H28 N2 O4 S2 -","- C34 H28 N2 O4 S2 -","- C34 H28 N2 O4 S2 -","1","0.5","","Anguera, Gonzalo; Kauffmann, Brice; Borrell, José I; Borrós, Salvador; Sánchez-García, David","Stable 5,5'-Substituted 2,2'-Bipyrroles: Building Blocks for Macrocyclic and Materials Chemistry.","The Journal of organic chemistry","2017","82","13","6904","6912","10.1021/acs.joc.7b00961","","","1.54178","CuKα","","0.0491","0.0451","","","0.1225","0.1264","","","","","","1.118","","","","has coordinates","200310","2020-10-21","18:00:00",""
"4032731","13.109","0.003","10.35","0.002","16.408","0.003","90","","94.59","0.03","90","","2219.1","0.8","120","2","120","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C52 H60 N2 O6 -","- C52 H60 N2 O6 -","- C104 H120 N4 O12 -","2","0.5","","Anguera, Gonzalo; Kauffmann, Brice; Borrell, José I; Borrós, Salvador; Sánchez-García, David","Stable 5,5'-Substituted 2,2'-Bipyrroles: Building Blocks for Macrocyclic and Materials Chemistry.","The Journal of organic chemistry","2017","82","13","6904","6912","10.1021/acs.joc.7b00961","","","1.54178","CuKα","","0.056","0.0505","","","0.1374","0.1412","","","","","","1.044","","","","has coordinates","200311","2020-10-21","18:00:00",""
"4032732","9.538","0.004","10.565","0.004","11.508","0.005","106.644","0.005","98.183","0.004","103.348","0.005","1053.7","0.8","173.15","","173.15","","","","","","","","","6","P -1","-P 1","2","","","","- C25 H20 N O P S -","- C25 H20 N O P S -","- C50 H40 N2 O2 P2 S2 -","2","1","","Guo, Wei-Si; Dou, Qian; Hou, Jian; Wen, Li-Rong; Li, Ming","Synthesis of 6-Phosphorylated Phenanthridines by Mn(II)-Promoted Tandem Reactions of 2-Biaryl Isothiocyanates with Phosphine Oxides.","The Journal of organic chemistry","2017","82","13","7015","7022","10.1021/acs.joc.7b00907","","","0.71073","MoKα","","0.0558","0.0507","","","0.1121","0.1152","","","","","","1.164","","","","has coordinates","200312","2020-10-21","18:00:00",""
"4032733","16.045","0.0019","14.1739","0.0016","8.0985","0.0009","90","","96.802","0.009","90","","1828.8","0.4","296","2","296","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C21 H16 F2 O4 -","- C21 H16 F2 O4 -","- C84 H64 F8 O16 -","4","1","","Zhang, Yan; Ye, Shangyi; Ji, Mingming; Li, Lisha; Guo, Dongmei; Zhu, Gangguo","Copper-Catalyzed Radical Cascade Difluoromethylation/Cyclization of 2-(3-Arylpropioloyl)benzaldehydes: A Route to Difluoromethylated Naphthoquinones.","The Journal of organic chemistry","2017","82","13","6811","6818","10.1021/acs.joc.7b00964","","","0.71073","MoKα","","0.1897","0.0754","","","0.1748","0.2371","","","","","","1.068","","","","has coordinates","200313","2020-10-21","18:00:00",""
"4032734","8.0848","0.0001","13.4851","0.0001","14.869","0.0002","90","","103.63","0.001","90","","1575.43","0.03","90","2","90","2","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C11 H31 B N O P -","- C11 H31 B N O P -","- C44 H124 B4 N4 O4 P4 -","4","2","","Salomó, Ernest; Prades, Amparo; Riera, Antoni; Verdaguer, Xavier","Dialkylammonium tert-Butylmethylphosphinites: Stable Intermediates for the Synthesis of P-Stereogenic Ligands.","The Journal of organic chemistry","2017","82","13","7065","7069","10.1021/acs.joc.7b01180","","","0.7107","MoKα","","0.0381","0.0298","","","0.088","0.0927","","","","","","1.023","","","","has coordinates","252331","2020-10-21","18:00:00",""
"4032735","19.8444","0.0009","8.1601","0.0004","15.9017","0.0008","90","","109.063","0.003","90","","2433.8","0.2","296","","296.15","","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","7-azainzole zinc acetate dimer","","- C22 H24 N4 O8 Zn2 -","- C22 H24 N4 O8 Zn2 -","- C88 H96 N16 O32 Zn8 -","4","0.5","","Ayothiraman, Rajaram; Rangaswamy, Sundaramurthy; Maity, Prantik; Simmons, Eric M.; Beutner, Gregory L.; Janey, Jacob; Treitler, Daniel S.; Eastgate, Martin D.; Vaidyanathan, Rajappa","Zinc Acetate-Promoted Buchwald-Hartwig Couplings of Heteroaromatic Amines.","The Journal of organic chemistry","2017","82","14","7420","7427","10.1021/acs.joc.7b01101","","","0.71073","MoKα","","0.0472","0.0369","","","0.0969","0.1018","","","","","","1.112","","","","has coordinates","200315","2020-10-21","18:00:00",""
"4032736","11.2475","0.0008","11.963","0.0009","23.4408","0.0017","90","","90","","90","","3154","0.4","113","2","113","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C34 H33 Cl N2 O8 -","- C34 H33 Cl N2 O8 -","- C136 H132 Cl4 N8 O32 -","4","1","","Feng, Junjun; Li, Xin","Enantioselective Vinylogous Michael-Michael Cascade Reactions of 3-Alkylidene Oxindoles and Nitroolefin Enoates.","The Journal of organic chemistry","2017","82","14","7317","7323","10.1021/acs.joc.7b00938","","","0.71073","MoKα","","0.0286","0.0257","","","0.0661","0.0673","","","","","","1.048","","","","has coordinates","200316","2020-10-21","18:00:00",""
"4032737","32.034","0.0017","12.9944","0.0008","20.1345","0.0011","90","","124.023","0.001","90","","6946.5","0.7","200","2","200","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C89 H66 Cl2 N8 O4 -","- C89 H66 Cl2 N8 O4 -","- C356 H264 Cl8 N32 O16 -","4","0.5","","Kavala, Veerababurao; Yang, Zonghan; Konala, Ashok; Huang, Chia-Yu; Kuo, Chun-Wei; Yao, Ching-Fa","Synthesis of Benzopyridoindolone Derivatives via a One-Pot Copper Catalyzed Tandem Reaction of 2-Iodobenzamide Derivatives and 2-Iodobenzylcyanides.","The Journal of organic chemistry","2017","82","14","7280","7286","10.1021/acs.joc.7b00862","","","0.71073","MoKα","","0.0681","0.0526","","","0.1482","0.1639","","","","","","1.04","","","","has coordinates","200317","2020-10-21","18:00:00",""
"4032738","8.3866","0.001","11.7585","0.0013","13.8846","0.0016","65.243","0.004","78.191","0.005","74.835","0.005","1193","0.2","150","2","150","2","","","","","","","","4","P -1","-P 1","2","","","","- C23 H29 Cl3 N2 -","- C23 H29 Cl3 N2 -","- C46 H58 Cl6 N4 -","2","1","","Dunn, Michelle H.; Konstandaras, Nicholas; Cole, Marcus L.; Harper, Jason B.","Targeted and Systematic Approach to the Study of pKa Values of Imidazolium Salts in Dimethyl Sulfoxide.","The Journal of organic chemistry","2017","82","14","7324","7331","10.1021/acs.joc.7b00716","","x-ray","0.71073","MoKα","","0.09","0.053","","","0.1245","0.1413","","","","","","1.055","","","","has coordinates","200318","2020-10-21","18:00:00",""
"4032739","10.7863","0.0003","11.9749","0.0003","15.8854","0.0004","90","","90","","90","","2051.84","0.09","103.2","","103.2","","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C20 H21 Br N2 O5 -","- C20 H21 Br N2 O5 -","- C80 H84 Br4 N8 O20 -","4","1","","Ma, Hongli; Xie, Lei; Zhang, Zhenhua; Wu, Lin-Gang; Fu, Bin; Qin, Zhaohai","Enantioselective Conjugate Addition of 2-Acetyl Azaarenes to β,β-Disubstituted Nitroalkene for the Construction of All-Carbon Quaternary Stereocenters.","The Journal of organic chemistry","2017","82","14","7353","7362","10.1021/acs.joc.7b01014","","","1.5418","CuKα","","0.0323","0.0317","","","0.0809","0.0813","","","","","","1.119","","","","has coordinates","200319","2020-10-21","18:00:00",""
"4032740","11.851","0.002","6.5036","0.0013","17.863","0.004","90","","108.35","0.03","90","","1306.8","0.5","296","2","296","2","","","","","","","","3","P 1 21 1","P 2yb","4","","","","- C29 H44 O4 -","- C29 H44 O4 -","- C58 H88 O8 -","2","1","","Hou, Ling-Li; Shi, Yong; Zhang, Zhi-Dan; Wu, Jing-Jing; Yang, Qing-Xiong; Tian, Wei-Sheng","Divergent Synthesis of Solanidine and 22-epi-Solanidine.","The Journal of organic chemistry","2017","82","14","7463","7469","10.1021/acs.joc.7b01133","","","1.54178","CuKα","","0.0424","0.0421","","","0.1137","0.1143","","","","","","1.025","","","","has coordinates","200320","2020-10-21","18:00:00",""
"4032741","7.9933","0.0007","8.6795","0.0007","13.2531","0.0011","78.2587","0.0013","78.0645","0.0013","67.9603","0.0012","825.78","0.12","100","2","100","2","","","","","","","","3","P -1","-P 1","2","","","","- C24 H14 O4 -","- C24 H14 O4 -","- C48 H28 O8 -","2","1","","Dengiz, Cagatay; Luppino, Sarah P.; Gutierrez, Gregory D.; Swager, Timothy M.","Naphthazarin-Polycyclic Conjugated Hydrocarbons and Iptycenes.","The Journal of organic chemistry","2017","82","14","7470","7480","10.1021/acs.joc.7b01170","","","0.71073","MoKα","","0.0506","0.0428","","","0.113","0.1186","","","","","","1.045","","","","has coordinates","200321","2020-10-21","18:00:00",""
"4032742","16.2777","0.0009","8.0337","0.0005","19.5542","0.0011","90","","92.8884","0.0011","90","","2553.9","0.3","100","2","100","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C36 H22 O5 -","- C36 H22 O5 -","- C144 H88 O20 -","4","1","","Dengiz, Cagatay; Luppino, Sarah P.; Gutierrez, Gregory D.; Swager, Timothy M.","Naphthazarin-Polycyclic Conjugated Hydrocarbons and Iptycenes.","The Journal of organic chemistry","2017","82","14","7470","7480","10.1021/acs.joc.7b01170","","","0.71073","MoKα","","0.0682","0.045","","","0.1056","0.1188","","","","","","1.026","","","","has coordinates","200322","2020-10-21","18:00:00",""
"4032743","10.5106","0.0002","4.968","0.0001","44.4015","0.0009","90","","91.325","0.001","90","","2317.88","0.08","100","2","100","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","1571","","","- C29 H29 N O5 -","- C29 H29 N O5 -","- C116 H116 N4 O20 -","4","1","","Huber, Tatjana; Preuhs, Teresa A.; Gerlinger, Christa K. G.; Magauer, Thomas","Development of a β-C-H Bromination Approach toward the Synthesis of Jerantinine E.","The Journal of organic chemistry","2017","82","14","7410","7419","10.1021/acs.joc.7b01095","","","0.71073","MoKα","","0.0482","0.0395","","","0.0902","0.0946","","","","","","1.038","","","","has coordinates","200323","2020-10-21","18:00:00",""
"4032744","6.6887","0.0005","9.605","0.0007","10.7854","0.0008","99.406","0.003","90.418","0.003","93.521","0.003","682.2","0.09","290","2","290","2","","","","","","","","4","P -1","-P 1","2","","","","- C15 H17 N O4 -","- C15 H17 N O4 -","- C30 H34 N2 O8 -","2","1","","Chiou, Wen-Hua; Chen, Po-Chou","Synthesis of (±)-Aphanorphine Using Rh-Catalyzed Cyclohydrocarbonylation.","The Journal of organic chemistry","2017","82","15","8213","8219","10.1021/acs.joc.7b00923","","x-ray","0.71073","MoKα","","0.0639","0.0496","","","0.1407","0.1582","","","","","","1.001","","","","has coordinates","200324","2020-10-21","18:00:00",""
"4032745","16.6953","0.0002","9.71833","0.00014","24.2042","0.0004","90","","107.522","0.0015","90","","3744.93","0.1","110","2","110","2","","","","","","","","7","P 1 21 1","P 2yb","4","","","","- C68 H98 Cu2 F12 N8 O P2 -","- C68 H98 Cu2 F12 N8 O P2 -","- C136 H196 Cu4 F24 N16 O2 P4 -","2","1","","Trammell, Rachel; See, Yi Yang; Herrmann, Aaron T.; Xie, Nan; Díaz, Daniel E; Siegler, Maxime A.; Baran, Phil S.; Garcia-Bosch, Isaac","Decoding the Mechanism of Intramolecular Cu-Directed Hydroxylation of sp(3) C-H Bonds.","The Journal of organic chemistry","2017","82","15","7887","7904","10.1021/acs.joc.7b01069","","","1.54178","CuKα","","0.0463","0.0404","","","0.1024","0.1084","","","","","","1.028","","","","has coordinates,has disorder","200325","2020-10-21","18:00:00",""
"4032746","7.571","0.002","18.848","0.006","12.151","0.004","90","","108.266","0.006","90","","1646.6","0.9","296","2","296","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C20 H16 F N3 O -","- C20 H16 F N3 O -","- C80 H64 F4 N12 O4 -","4","1","","Yu, Yulan; Cai, Zhiqiang; Yuan, Weiwen; Liu, Ping; Sun, Peipei","Radical Addition/Insertion/Cyclization Cascade Reaction To Assemble Phenanthridines from N-Arylacrylamide Using Cyano as a Bridge under Photoredox Catalysis.","The Journal of organic chemistry","2017","82","15","8148","8156","10.1021/acs.joc.7b01447","","","0.71073","MoKα","","0.1156","0.0585","","","0.1414","0.1719","","","","","","1.037","","","","has coordinates","200326","2020-10-21","18:00:00",""
"4032747","20.918","0.002","6.0208","0.0006","25.025","0.002","90","","111.139","0.01","90","","2939.6","0.5","290","0.4","290","0.4","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C31 H32 N2 O6 S2 -","- C31 H32 N2 O6 S2 -","- C124 H128 N8 O24 S8 -","4","1","","Lu, Jia-Tian; Shi, Zi-Fa; Cao, Xiao-Ping","Total Synthesis of (-)-Chanoclavine I and an Oxygen-Substituted Ergoline Derivative.","The Journal of organic chemistry","2017","82","15","7774","7782","10.1021/acs.joc.7b00573","","","0.7107","MoKα","","0.1187","0.0598","","","0.1127","0.1476","","","","","","1.056","","","","has coordinates","200327","2020-10-21","18:00:00",""
"4032748","10.8586","0.00017","22.1145","0.0004","22.6189","0.0003","93.071","0.0011","90.2646","0.0011","93.6436","0.0013","5412.59","0.15","100.1","0.4","100.1","0.4","","","","","","","","7","P -1","-P 1","2","","","","- C45 H54 Cl3 F6 N3 O19 S2 -","- C45 H54 Cl3 F6 N3 O19 S2 -","- C180 H216 Cl12 F24 N12 O76 S8 -","4","2","","Price, Jr, Terry L; Wessels, Hanlie R.; Slebodnick, Carla; Gibson, Harry W.","High-Yielding Syntheses of Crown Ether-Based Pyridyl Cryptands.","The Journal of organic chemistry","2017","82","15","8117","8122","10.1021/acs.joc.7b01389","","x-ray","1.54184","CuKα","","0.0587","0.0488","","","0.129","0.1395","","","","","","1.043","","","","has coordinates","200328","2020-10-21","18:00:00",""
"4032749","16.89","0.003","8.0184","0.0016","11.924","0.002","90","","94.97","0.03","90","","1608.8","0.5","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C18 H17 N O3 S -","- C18 H17 N O3 S -","- C72 H68 N4 O12 S4 -","4","1","","Huang, Jiuzhong; Zheng, Jia; Wu, Wanqing; Li, Jianxiao; Ma, Zhiqiang; Ren, Yanwei; Jiang, Huanfeng","Palladium-Catalyzed Intermolecular Oxidative Cyclization of Allyltosylamides with AcOH: Assembly of 3-Pyrrolin-2-ones.","The Journal of organic chemistry","2017","82","15","8191","8198","10.1021/acs.joc.7b00804","","","0.71073","MoKα","","0.1192","0.0586","","","0.1247","0.1507","","","","","","1.006","","","","has coordinates","200329","2020-10-21","18:00:00",""
"4032750","8.9017","0.0017","10.527","0.002","17.992","0.004","90","","90.408","0.008","90","","1686","0.6","173","","173","","","","","","","","","2","P 1 21/c 1","-P 2ybc","14","","","","- C42 F28 -","- C42 F28 -","- C84 F56 -","2","0.5","","Sakamoto, Youichi; Suzuki, Toshiyasu","Perfluorinated and Half-Fluorinated Rubrenes: Synthesis and Crystal Packing Arrangements.","The Journal of organic chemistry","2017","82","15","8111","8116","10.1021/acs.joc.7b01383","","","0.7107","MoKα","","","0.045","","","","0.0979","","","","","","0.847","","","","has coordinates","200330","2020-10-21","18:00:00",""
"4032751","8.2318","0.0004","10.7603","0.0009","13.738","0.0007","90","","90.712","0.005","90","","1216.77","0.13","293","2","293","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C15 H8 N4 -","- C15 H8 N4 -","- C60 H32 N16 -","4","1","","Zhu, Xinju; Shen, Xiao-Jing; Tian, Zi-Yao; Lu, Shuai; Tian, Lu-Lu; Liu, Wen-Bo; Song, Bing; Hao, Xin-Qi","Rhodium-Catalyzed Direct Bis-cyanation of Arylimidazo[1,2-α]pyridine via Double C-H Activation.","The Journal of organic chemistry","2017","82","12","6022","6031","10.1021/acs.joc.6b03036","","x-ray","1.54184","CuKα","","0.07","0.0552","","","0.1701","0.1919","","","","","","1.069","","","","has coordinates","200331","2020-10-21","18:00:00",""
"4032752","8.6541","0.0002","10.3345","0.0002","14.6137","0.0004","90","","96.5887","0.0018","90","","1298.36","0.05","296","2","296","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C56 H46 Br2 N4 O6 -","- C56 H46 Br2 N4 O6 -","- C56 H46 Br2 N4 O6 -","1","0.5","","Ren, Ji-Wei; Wang, Jing; Xiao, Jun-An; Li, Jun; Xiang, Hao-Yue; Chen, Xiao-Qing; Yang, Hua","L-Pyroglutamic Sulphonamide as Hydrogen-Bonding Organocatalyst: Enantioselective Diels-Alder Cyclization to Construct Carbazolespirooxindoles.","The Journal of organic chemistry","2017","82","12","6441","6449","10.1021/acs.joc.7b00733","","","0.71073","MoKα","","0.0415","0.0368","","","0.0982","0.1004","","","","","","1.056","","","","has coordinates","200332","2020-10-21","18:00:00",""
"4032753","13.0387","0.0006","5.8212","0.0003","22.0905","0.0012","90","","92.372","0.002","90","","1675.25","0.15","100","","100","","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C17 H9 F9 O S -","- C17 H9 F9 O S -","- C68 H36 F36 O4 S4 -","4","1","","Yin, Hongfei; Skrydstrup, Troels","Access to Perfluoroalkyl-Substituted Enones and Indolin-2-ones via Multicomponent Pd-Catalyzed Carbonylative Reactions.","The Journal of organic chemistry","2017","82","12","6474","6481","10.1021/acs.joc.7b00942","","","0.56086","AgKα","","0.0521","0.0382","","","0.0881","0.096","","","","","","1.029","","","","has coordinates","200333","2020-10-21","18:00:00",""
"4032754","20.0478","0.0004","7.17097","0.00013","21.1937","0.0004","90","","90","","90","","3046.85","0.1","150","","150","","","","","","","","","3","P c a 21","P 2c -2ac","29","","","","- C17 H22 O4 -","- C17 H22 O4 -","- C136 H176 O32 -","8","2","","Sahu, Raghaba; Singh, Vishwakarma","Cycloaddition of Spiroepoxycyclohexa-2,4-dienones, Radical Cyclization and 1,3-Acyl Shift in Excited State: Aromatics to Sterpuren-4-one.","The Journal of organic chemistry","2017","82","12","6268","6278","10.1021/acs.joc.7b00867","","x-ray","1.54184","CuKα","","0.0563","0.0452","","","0.1167","0.1411","","","","","","1.176","","","","has coordinates","200334","2020-10-21","18:00:00",""
"4032755","5.158","0.004","9.565","0.007","16.058","0.011","87.872","0.011","87.558","0.011","83.708","0.012","786.3","1","296.15","","296.15","","","","","","","","","5","P -1","-P 1","2","","","","- C14.88 H14.76 F3 N2 O3 -","- C14.879 H14.748 F3 N2 O3 -","- C29.758 H29.496 F6 N4 O6 -","2","1","","Chen, Chun-Hua; Liu, Qing-Qing; Ma, Xiao-Pan; Feng, Yu; Liang, Cui; Pan, Cheng-Xue; Su, Gui-Fa; Mo, Dong-Liang","Copper-Catalyzed Selective N-Vinylation of 3-(Hydroxyimino)indolin-2-ones with Alkenyl Boronic Acids: Synthesis of N-Vinyl Nitrones and Spirooxindoles.","The Journal of organic chemistry","2017","82","12","6417","6425","10.1021/acs.joc.7b00620","","","0.71073","MoKα","","0.0976","0.086","","","0.2952","0.3103","","","","","","1.358","","","","has coordinates","200335","2020-10-21","18:00:00",""
"4032756","14.7624","0.0014","7.2144","0.0008","20.8003","0.0019","90","","109.48","0.006","90","","2088.5","0.4","100","2","100","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C11 H21 N O -","- C11 H21 N O -","- C88 H168 N8 O8 -","8","2","","Saruengkhanphasit, Rungroj; Collier, Darren; Coldham, Iain","Synthesis of Spirocyclic Amines by Using Dipolar Cycloadditions of Nitrones.","The Journal of organic chemistry","2017","82","12","6489","6496","10.1021/acs.joc.7b00959","","","0.71073","MoKα","","0.0926","0.0514","","","0.1051","0.1256","","","","","","1.019","","","","has coordinates","200336","2020-10-21","18:00:00",""
"4032757","12.0615","0.0005","13.9829","0.0005","11.3318","0.0005","90","","111.927","0.005","90","","1772.91","0.14","150","0.1","150","0.1","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C24 H14 N2 S -","- C24 H14 N2 S -","- C96 H56 N8 S4 -","4","1","","Hua, Ying-Xi; Shao, Yongliang; Wang, Ya-Wen; Peng, Yu","A Series of Fluorescent and Colorimetric Chemodosimeters for Selective Recognition of Cyanide Based on the FRET Mechanism.","The Journal of organic chemistry","2017","82","12","6259","6267","10.1021/acs.joc.7b00850","","","0.71073","MoKα","","0.065","0.0451","","","0.0943","0.1058","","","","","","1.051","","","","has coordinates","200337","2020-10-21","18:00:00",""
"4032758","12.5496","0.0018","13.4577","0.0015","16.944","0.002","105.216","0.011","95.918","0.012","106.899","0.012","2591.7","0.6","150.01","0.1","150.01","0.1","","","","","","","synthesis as described","5","P -1","-P 1","2","","","","- C22 H15 F3 N2 O -","- C22 H15 F3 N2 O -","- C132 H90 F18 N12 O6 -","6","3","","Alonso, Concepción; González, María; Palacios, Francisco; Rubiales, Gloria","Study of the Hetero-[4+2]-Cycloaddition Reaction of Aldimines and Alkynes. Synthesis of 1,5-Naphthyridine and Isoindolone Derivatives.","The Journal of organic chemistry","2017","82","12","6379","6387","10.1021/acs.joc.7b00977","","x-ray","1.54184","CuKα","","0.1563","0.0987","","","0.2681","0.3081","","","","","","0.991","","","","has coordinates,has disorder","200338","2020-10-21","18:00:00",""
"4032759","5.7218","0.0008","5.9498","0.0008","42.706","0.006","90","","90","","90","","1453.9","0.3","296","2","296","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C17 H13 Br O3 -","- C17 H13 Br O3 -","- C68 H52 Br4 O12 -","4","1","","Balha, Megha; Mondal, Buddhadeb; Sahoo, Subas Chandra; Pan, Subhas Chandra","Organocatalytic Asymmetric Michael-Hemiacetalization Reaction Between 2-Hydroxyacetophenones and Enals: A Route to Chiral β,γ-Disubstituted γ-Butyrolactones.","The Journal of organic chemistry","2017","82","12","6409","6416","10.1021/acs.joc.7b00363","","","0.71073","MoKα","","0.0494","0.0316","","","0.0762","0.0973","","","","","","1.067","","","","has coordinates","200339","2020-10-21","18:00:00",""
"4032760","5.943","0.0002","14.5054","0.0006","25.4785","0.0011","90","","90","","90","","2196.39","0.15","133","2","133","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C26 H30 N6 -","- C26 H30 N6 -","- C104 H120 N24 -","4","1","","Gampe, Dominique Mario; Schramm, Stefan; Ziemann, Steffen; Westerhausen, Matthias; Görls, Helmar; Naumov, Panče; Beckert, Rainer","From Highly Fluorescent Donors to Strongly Absorbing Acceptors: The Tunable Properties of Fluorubines.","The Journal of organic chemistry","2017","82","12","6153","6162","10.1021/acs.joc.7b00676","","","0.71073","MoKα","","0.1382","0.0836","","","0.1263","0.1445","","","","","","1.13","","","","has coordinates","200340","2020-10-21","18:00:00",""
"4032761","18.3256","0.0002","10.8929","0.0001","21.4142","0.0003","90","","90","","90","","4274.68","0.09","133","2","133","2","","","","","","","","3","P b c a","-P 2ac 2ab","61","","","","- C22 H26 N6 -","- C22 H26 N6 -","- C176 H208 N48 -","8","1","","Gampe, Dominique Mario; Schramm, Stefan; Ziemann, Steffen; Westerhausen, Matthias; Görls, Helmar; Naumov, Panče; Beckert, Rainer","From Highly Fluorescent Donors to Strongly Absorbing Acceptors: The Tunable Properties of Fluorubines.","The Journal of organic chemistry","2017","82","12","6153","6162","10.1021/acs.joc.7b00676","","","0.71073","MoKα","","0.0596","0.047","","","0.1071","0.1139","","","","","","1.101","","","","has coordinates","200340","2020-10-21","18:00:00",""
"4032762","15.9473","0.0015","33.829","0.004","6.8715","0.0009","90","","90","","90","","3707","0.7","133","2","133","2","","","","","","","","4","P n m a","-P 2ac 2n","62","","","","- C42 H46 N6 O2 -","- C42 H46 N6 O2 -","- C168 H184 N24 O8 -","4","0.5","","Gampe, Dominique Mario; Schramm, Stefan; Ziemann, Steffen; Westerhausen, Matthias; Görls, Helmar; Naumov, Panče; Beckert, Rainer","From Highly Fluorescent Donors to Strongly Absorbing Acceptors: The Tunable Properties of Fluorubines.","The Journal of organic chemistry","2017","82","12","6153","6162","10.1021/acs.joc.7b00676","","","0.71073","MoKα","","0.2107","0.1051","","","0.1767","0.2152","","","","","","1.134","","","","has coordinates","200340","2020-10-21","18:00:00",""
"4032763","7.4869","0.0006","5.5397","0.0005","22.6003","0.0018","90","","90.853","0.001","90","","937.25","0.14","193","2","193","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C12 H9 N O -","- C12 H9 N O -","- C48 H36 N4 O4 -","4","1","","Al-Huniti, Mohammed H; Sullivan, Zachary B.; Stanley, Jarrod L.; Carson, James A.; Hyatt, I. F. Dempsey; Hairston, A. Christina; Croatt, Mitchell P.","Hypervalent Iodonium Alkynyl Triflate Generated Phenylcyanocarbene and Its Reactivity with Aromatic Systems.","The Journal of organic chemistry","2017","82","22","11772","11780","10.1021/acs.joc.7b01608","","","0.71073","MoKα","","0.0499","0.0465","","","0.1263","0.1302","","","","","","1.058","","","","has coordinates,has disorder","204821","2020-10-21","18:00:00",""
"4032764","13.22","0.012","14.636","0.012","14.987","0.014","90","","91.27","0.03","90","","2899","4","100","2","100","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","8,12,13,17-tetraethyl-2,3-di(methoxycarbonyl)-7,18-dimethyl- 21-carbaporphyrin","","- C35 H39 N3 O4 -","- C35 H39 N3 O4 -","- C140 H156 N12 O16 -","4","1","","Sahota, Navneet; Ferrence, Gregory M.; Lash, Timothy D.","Synthesis and Properties of Carbaporphyrin and Carbachlorin Dimethyl Esters Derived from Cyclopentanedialdehydes.","The Journal of organic chemistry","2017","82","18","9715","9730","10.1021/acs.joc.7b01831","","","0.71073","MoKα","","0.0925","0.0624","","","0.1506","0.1633","","","","","","1.137","","","","has coordinates","202740","2020-10-21","18:00:00",""
"4032765","9.289","0.0011","11.9696","0.0013","14.6981","0.0014","98.622","0.004","98.649","0.005","98.902","0.007","1570.9","0.3","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","(8,12,13,17-tetraethyl-2,3-di(methoxycarbonyl)-7,18,21-trimethyl- 21-carbaporphyrinato)palladium(II)","","- C36 H39 N3 O4 Pd -","- C36 H39 N3 O4 Pd -","- C72 H78 N6 O8 Pd2 -","2","1","","Sahota, Navneet; Ferrence, Gregory M.; Lash, Timothy D.","Synthesis and Properties of Carbaporphyrin and Carbachlorin Dimethyl Esters Derived from Cyclopentanedialdehydes.","The Journal of organic chemistry","2017","82","18","9715","9730","10.1021/acs.joc.7b01831","","","0.71073","MoKα","","0.0497","0.0323","","","0.0603","0.0651","","","","","","1.031","","","","has coordinates","202740","2020-10-21","18:00:00",""
"4032766","9.3067","0.0004","14.4582","0.0006","23.3519","0.0009","91.141","0.003","90.468","0.003","94.066","0.003","3133.5","0.2","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","(8,12,13,17-tetraethyl-2,3-di(methoxycarbonyl)-7,18,21-trimethyl- 21-carbaporphyrinato)nickel(II)","","- C36 H39 N3 Ni O4 -","- C36 H39 N3 Ni O4 -","- C144 H156 N12 Ni4 O16 -","4","2","","Sahota, Navneet; Ferrence, Gregory M.; Lash, Timothy D.","Synthesis and Properties of Carbaporphyrin and Carbachlorin Dimethyl Esters Derived from Cyclopentanedialdehydes.","The Journal of organic chemistry","2017","82","18","9715","9730","10.1021/acs.joc.7b01831","","","0.71073","MoKα","","0.0804","0.0382","","","0.0828","0.0925","","","","","","0.883","","","","has coordinates","202740","2020-10-21","18:00:00",""
"4032767","12.093","0.002","12.1052","0.0019","12.739","0.002","66.264","0.007","71.517","0.008","61.662","0.007","1484","0.4","100","2","100","2","","","","","","","","4","P -1","-P 1","2","","8,12,13,17-tetraethyl-2,2-di(methoxycarbonyl)-7,18-dimethyl- 2,3-dihydro-21-carbaporphyrin","","- C35 H41 N3 O4 -","- C35 H41 N3 O4 -","- C70 H82 N6 O8 -","2","1","","Sahota, Navneet; Ferrence, Gregory M.; Lash, Timothy D.","Synthesis and Properties of Carbaporphyrin and Carbachlorin Dimethyl Esters Derived from Cyclopentanedialdehydes.","The Journal of organic chemistry","2017","82","18","9715","9730","10.1021/acs.joc.7b01831","","","0.71073","MoKα","","0.1258","0.0715","","","0.1872","0.2245","","","","","","1.017","","","","has coordinates,has disorder","202740","2020-10-21","18:00:00",""
"4032768","18.2454","0.0008","7.4219","0.0003","18.7073","0.0007","90","","114.262","0.002","90","","2309.51","0.17","150","","150","","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","","","- C56 H72 O6 -","- C56 H72 O6 -","- C112 H144 O12 -","2","0.5","","Pan, San-Jiang; Ye, Gang; Jia, Fei; He, Zhenfeng; Ke, Hua; Yao, Huan; Fan, Zhi; Jiang, Wei","Regioselective Synthesis of Methylene-Bridged Naphthalene Oligomers and Their Host-Guest Chemistry.","The Journal of organic chemistry","2017","82","18","9570","9575","10.1021/acs.joc.7b01579","","x-ray","1.54178","CuKα","","0.087","0.0545","","","0.1305","0.1478","","","","","","1.025","","","","has coordinates","202741","2020-10-21","18:00:00",""
"4032769","9.2936","0.0004","10.1589","0.0004","17.9869","0.0007","85.729","0.001","79.759","0.002","70.5","0.002","1575.07","0.11","150","","150","","","","","","","","","3","P -1","-P 1","2","","","","- C37 H48 O4 -","- C37 H48 O4 -","- C74 H96 O8 -","2","1","","Pan, San-Jiang; Ye, Gang; Jia, Fei; He, Zhenfeng; Ke, Hua; Yao, Huan; Fan, Zhi; Jiang, Wei","Regioselective Synthesis of Methylene-Bridged Naphthalene Oligomers and Their Host-Guest Chemistry.","The Journal of organic chemistry","2017","82","18","9570","9575","10.1021/acs.joc.7b01579","","","1.54178","CuKα","","0.0428","0.0366","","","0.0945","0.0992","","","","","","1.032","","","","has coordinates","202741","2020-10-21","18:00:00",""
"4032770","16.1982","0.0005","8.0127","0.0003","19.7384","0.0007","90","","96.427","0.003","90","","2545.77","0.15","150","","150","","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C35 H30 O3 -","- C35 H30 O3 -","- C140 H120 O12 -","4","1","","Pan, San-Jiang; Ye, Gang; Jia, Fei; He, Zhenfeng; Ke, Hua; Yao, Huan; Fan, Zhi; Jiang, Wei","Regioselective Synthesis of Methylene-Bridged Naphthalene Oligomers and Their Host-Guest Chemistry.","The Journal of organic chemistry","2017","82","18","9570","9575","10.1021/acs.joc.7b01579","","x-ray","1.54178","CuKα","","0.0855","0.0589","","","0.133","0.1471","","","","","","1.016","","","","has coordinates","202741","2020-10-21","18:00:00",""
"4032771","13.1127","0.0002","21.3124","0.0003","8.87124","0.0001","90","","101.344","","90","","2430.75","0.06","173","","173","","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C19 H15 F6 I N O5 S2 -","- C19 H18 F6 I N O5 S2 -","- C76 H72 F24 I4 N4 O20 S8 -","4","1","","Das, Prajwalita; Shibata, Norio","Electrophilic Triflyl-arylation and Triflyl-pyridylation by Unsymmetrical Aryl/Pyridyl-λ3-iodonium Salts: Synthesis of Aryl and Pyridyl Triflones.","The Journal of organic chemistry","2017","82","22","11915","11924","10.1021/acs.joc.7b01690","","","0.71075","MoKα","","","0.0358","","","","0.1385","","","","","","1.243","","","","has coordinates","204824","2020-10-21","18:00:00",""
"4032772","28.2486","0.0005","9.3345","0.0002","35.1839","0.0009","90","","103.793","0.0009","90","","9010","0.3","100","0.5","100","0.5","","","","","","","","6","I 1 2/a 1","-I 2ya","15","","","","- C53 H33 B Cl6 F2 N2 -","- C53 H33 B Cl6 F2 N2 -","- C424 H264 B8 Cl48 F16 N16 -","8","1","","Zhao, Ning; Xuan, Sunting; Zhou, Zehua; Fronczek, Frank R.; Smith, Kevin M.; Vicente, M Graça H","Synthesis and Spectroscopic and Cellular Properties of Near-IR [a]Phenanthrene-Fused 4,4-Difluoro-4-bora-3a,4a-diaza-s-indacenes.","The Journal of organic chemistry","2017","82","18","9744","9750","10.1021/acs.joc.7b01940","","","0.71073","MoKα","","0.1056","0.0549","","","0.1227","0.1435","","","","","","1.018","","","","has coordinates","202738","2020-10-21","18:00:00",""
"4032773","6.61954","0.00008","13.75433","0.00017","16.9835","0.0002","90","","90","","90","","1546.3","0.03","150","","150","","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C19 H23 N O2 -","- C19 H23 N O2 -","- C76 H92 N4 O8 -","4","1","","Davies, Stephen G.; Fletcher, Ai M.; Houlsby, Ian T. T.; Roberts, Paul M.; Thomson, James E.","Structural Revision of the Hancock Alkaloid (-)-Galipeine.","The Journal of organic chemistry","2017","82","19","10673","10679","10.1021/acs.joc.7b01720","","","1.54184","CuKα","","0.0308","0.0305","","0.0781","0.0777","0.0781","","","","","","1.0246","","","","has coordinates","202699","2020-10-21","18:00:00",""
"4032774","13.946","0.002","9.9498","0.0009","14.897","0.002","90","","97.21","0.02","90","","2050.8","0.5","295.15","0.1","295.15","0.1","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C22 H18 I2 O4 -","- C22 H18 I2 O4 -","- C88 H72 I8 O16 -","4","1","","Wang, Jia; Zhu, Hai-Tao; Chen, Si; Luan, Cheng; Xia, Yu; Shen, Yi; Li, Ying-Xiu; Hua, Yingxi; Liang, Yong-Min","Electrophilic Cyclization and Intermolecular Acetalation of 2-(4-Hydroxybut-1-yn-1-yl)benzaldehydes: Synthesis of Diiodinated Diepoxydibenzo[c,k][1,9]dioxacyclohexadecines.","The Journal of organic chemistry","2017","82","19","10641","10649","10.1021/acs.joc.7b01646","","","0.7107","MoKα","","0.0705","0.0504","","","0.1115","0.1323","","","","","","1.041","","","","has coordinates","202685","2020-10-21","18:00:00",""
"4032775","14.4274","0.0007","13.887","0.0006","16.6402","0.0009","90","","109.066","0.006","90","","3151","0.3","296","0.3","296","0.3","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C34 H24 Br2 I2 O4 -","- C34 H24 Br2 I2 O4 -","- C136 H96 Br8 I8 O16 -","4","1","","Wang, Jia; Zhu, Hai-Tao; Chen, Si; Luan, Cheng; Xia, Yu; Shen, Yi; Li, Ying-Xiu; Hua, Yingxi; Liang, Yong-Min","Electrophilic Cyclization and Intermolecular Acetalation of 2-(4-Hydroxybut-1-yn-1-yl)benzaldehydes: Synthesis of Diiodinated Diepoxydibenzo[c,k][1,9]dioxacyclohexadecines.","The Journal of organic chemistry","2017","82","19","10641","10649","10.1021/acs.joc.7b01646","","","0.71073","MoKα","","0.1234","0.0631","","","0.1342","0.1743","","","","","","1.028","","","","has coordinates","202685","2020-10-21","18:00:00",""
"4032776","13.6316","0.0005","11.6665","0.0005","14.3791","0.0007","90","","104.063","0.004","90","","2218.22","0.17","290.58","0.1","290.58","0.1","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C24 H22 I2 O4 -","- C24 H22 I2 O4 -","- C96 H88 I8 O16 -","4","1","","Wang, Jia; Zhu, Hai-Tao; Chen, Si; Luan, Cheng; Xia, Yu; Shen, Yi; Li, Ying-Xiu; Hua, Yingxi; Liang, Yong-Min","Electrophilic Cyclization and Intermolecular Acetalation of 2-(4-Hydroxybut-1-yn-1-yl)benzaldehydes: Synthesis of Diiodinated Diepoxydibenzo[c,k][1,9]dioxacyclohexadecines.","The Journal of organic chemistry","2017","82","19","10641","10649","10.1021/acs.joc.7b01646","","","0.7107","MoKα","","0.0614","0.0471","","","0.1103","0.1227","","","","","","1.065","","","","has coordinates","202685","2020-10-21","18:00:00",""
"4032777","15.8653","0.0004","9.9024","0.0003","16.176","0.0006","90","","105.381","0.003","90","","2450.3","0.14","239","4","239","4","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C26 H26 I2 O4 -","- C26 H26 I2 O4 -","- C104 H104 I8 O16 -","4","1","","Wang, Jia; Zhu, Hai-Tao; Chen, Si; Luan, Cheng; Xia, Yu; Shen, Yi; Li, Ying-Xiu; Hua, Yingxi; Liang, Yong-Min","Electrophilic Cyclization and Intermolecular Acetalation of 2-(4-Hydroxybut-1-yn-1-yl)benzaldehydes: Synthesis of Diiodinated Diepoxydibenzo[c,k][1,9]dioxacyclohexadecines.","The Journal of organic chemistry","2017","82","19","10641","10649","10.1021/acs.joc.7b01646","","","0.7107","MoKα","","0.058","0.0424","","","0.0898","0.1026","","","","","","1.043","","","","has coordinates","202685","2020-10-21","18:00:00",""
"4032778","10.2367","0.0004","10.4404","0.0004","21.1129","0.0007","90","","90","","90","","2256.45","0.14","100","2","100","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C26 H24 F3 N O4 -","- C26 H24 F3 N O4 -","- C104 H96 F12 N4 O16 -","4","1","","Ben Jamaa, Abdelkhalek; Grellepois, Fabienne","Diastereoselective Ritter-like Reaction on Cyclic Trifluoromethylated N,O-Acetals Derived from l-Tartaric Acid.","The Journal of organic chemistry","2017","82","19","10360","10375","10.1021/acs.joc.7b01814","","","1.54178","CuKα","","0.0259","0.0249","","","0.0612","0.0618","","","","","","1.067","","","","has coordinates","202688","2020-10-21","18:00:00",""
"4032779","8.9326","0.0002","13.1164","0.0003","14.6638","0.0004","90","0","93.0302","0.0012","90","0","1715.66","0.07","100","2","100","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C16 H19 F3 N2 O4 -","- C16 H19 F3 N2 O4 -","- C64 H76 F12 N8 O16 -","4","2","","Ben Jamaa, Abdelkhalek; Grellepois, Fabienne","Diastereoselective Ritter-like Reaction on Cyclic Trifluoromethylated N,O-Acetals Derived from l-Tartaric Acid.","The Journal of organic chemistry","2017","82","19","10360","10375","10.1021/acs.joc.7b01814","","","1.54178","CuKα","","0.0342","0.0308","","","0.0699","0.0724","","","","","","1.1","","","","has coordinates","255262","2020-10-21","18:00:00",""
"4032780","9.0437","0.0002","13.1451","0.0003","15.6669","0.0004","90","","90","","90","","1862.49","0.08","100","2","100","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C18 H19 F3 N2 O6 -","- C18 H19 F3 N2 O6 -","- C72 H76 F12 N8 O24 -","4","1","","Ben Jamaa, Abdelkhalek; Grellepois, Fabienne","Diastereoselective Ritter-like Reaction on Cyclic Trifluoromethylated N,O-Acetals Derived from l-Tartaric Acid.","The Journal of organic chemistry","2017","82","19","10360","10375","10.1021/acs.joc.7b01814","","","1.54178","CuKα","","0.0299","0.0278","","","0.064","0.0656","","","","","","0.958","","","","has coordinates,has disorder","202688","2020-10-21","18:00:00",""
"4032781","7.5159","0.0002","8.9376","0.0003","12.5585","0.0004","97.164","0.001","94.788","0.001","92.485","0.002","832.87","0.04","120","","120","","","","","","","","","4","P -1","-P 1","2","","Ethyl (±)-2-(((2R*,6R*)-4,4-dimethyl-2-oxido-6-phenyl -1,3,2-dioxaphosphinan-2-yl)oxy)-acrylate","","- C16 H21 O6 P -","- C16 H21 O6 P -","- C32 H42 O12 P2 -","2","1","","Malová Križková, Petra; Prechelmacher, Susanne; Roller, Alexander; Hammerschmidt, Friedrich","Chemical Synthesis of (RP)- and (SP)-[(16)O,(17)O,(18)O]Phosphoenol Pyruvate.","The Journal of organic chemistry","2017","82","19","10310","10318","10.1021/acs.joc.7b01783","","","0.71073","MoKα","","0.0407","0.0345","","","0.0852","0.0893","","","","","","1.04","","","","has coordinates","202690","2020-10-21","18:00:00",""
"4032782","9.2074","0.0017","11.5642","0.0005","9.5785","0.0018","90","","118.017","0.011","90","","900.4","0.3","100","2","100","2","","","","","","","","3","P 1 21 1","P 2yb","4","","","","- C17 H26 O6 -","- C17 H26 O6 -","- C34 H52 O12 -","2","1","","Mondal, Santigopal; Mukherjee, Subrata; Das, Tamal Kanti; Gonnade, Rajesh G.; Biju, Akkattu T.","Enantioselective Synthesis of Functionalized β-Lactones by NHC-Catalyzed Aldol Lactonization of Ketoacids.","The Journal of organic chemistry","2017","82","17","9223","9228","10.1021/acs.joc.7b01526","","","1.54184","CuKα","","0.0226","0.0226","","","0.0652","0.0653","","","","","","1.019","","","","has coordinates","200453","2020-10-21","18:00:00",""
"4032783","6.8762","0.0004","14.6452","0.0008","15.4808","0.0009","90","","101.713","0.004","90","","1526.51","0.15","100","2","100","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C18 H20 N2 O -","- C18 H20 N2 O -","- C72 H80 N8 O4 -","4","1","","Sarkar, Debayan; Rout, Nilendri; Ghosh, Manoj Kumar; Giri, Santanab; Neue, Kornelius; Reuter, Hans","Atom-Economical Palladium Carbon-Catalyzed de Novo Synthesis of Trisubstituted Nicotinonitriles.","The Journal of organic chemistry","2017","82","17","9012","9022","10.1021/acs.joc.7b01332","","","0.71073","MoKα","","0.0786","0.0502","","","0.1199","0.1361","","","","","","1.04","","","","has coordinates","200454","2020-10-21","18:00:00",""
"4032784","21.142","0.002","4.242","0.0004","10.6198","0.001","90","","90","","90","","952.43","0.16","100","2","100","2","","","","","","","","4","P n a 21","P 2c -2n","33","","","","- C10 H9 N3 O2 -","- C10 H9 N3 O2 -","- C40 H36 N12 O8 -","4","1","","Huang, Adrian; Wo, Kellie; Lee, So Yeun Christine; Kneitschel, Nika; Chang, Jennifer; Zhu, Kathleen; Mello, Tatsiana; Bancroft, Laura; Norman, Natalie J.; Zheng, Shao-Liang","Regioselective Synthesis, NMR, and Crystallographic Analysis of N1-Substituted Pyrazoles.","The Journal of organic chemistry","2017","82","17","8864","8872","10.1021/acs.joc.7b01006","","","1.54178","CuKα","","0.0333","0.0324","","","0.0788","0.0793","","","","","","1.171","","","","has coordinates","200456","2020-10-21","18:00:00",""
"4032785","9.1992","0.0008","4.6213","0.0003","25.2188","0.0018","90","","93.384","0.004","90","","1070.24","0.14","100","2","100","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C11 H9 N3 O3 -","- C11 H9 N3 O3 -","- C44 H36 N12 O12 -","4","1","","Huang, Adrian; Wo, Kellie; Lee, So Yeun Christine; Kneitschel, Nika; Chang, Jennifer; Zhu, Kathleen; Mello, Tatsiana; Bancroft, Laura; Norman, Natalie J.; Zheng, Shao-Liang","Regioselective Synthesis, NMR, and Crystallographic Analysis of N1-Substituted Pyrazoles.","The Journal of organic chemistry","2017","82","17","8864","8872","10.1021/acs.joc.7b01006","","","1.54178","CuKα","","0.0694","0.0646","","","0.1787","0.1831","","","","","","1.083","","","","has coordinates","200456","2020-10-21","18:00:00",""
"4032786","8.9557","0.0003","26.4849","0.001","4.792","0.0002","90","","90","","90","","1136.62","0.07","100","2","100","2","","","","","","","","4","P n a 21","P 2c -2n","33","","","","- C12 H11 N3 O3 -","- C12 H11 N3 O3 -","- C48 H44 N12 O12 -","4","1","","Huang, Adrian; Wo, Kellie; Lee, So Yeun Christine; Kneitschel, Nika; Chang, Jennifer; Zhu, Kathleen; Mello, Tatsiana; Bancroft, Laura; Norman, Natalie J.; Zheng, Shao-Liang","Regioselective Synthesis, NMR, and Crystallographic Analysis of N1-Substituted Pyrazoles.","The Journal of organic chemistry","2017","82","17","8864","8872","10.1021/acs.joc.7b01006","","","1.54178","CuKα","","0.0496","0.0445","","","0.109","0.1114","","","","","","1.073","","","","has coordinates","200456","2020-10-21","18:00:00",""
"4032787","4.8424","0.0002","9.2176","0.0004","27.531","0.0011","90","","90","","90","","1228.85","0.09","100","2","100","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C12 H8 F3 N3 O3 -","- C12 H8 F3 N3 O3 -","- C48 H32 F12 N12 O12 -","4","1","","Huang, Adrian; Wo, Kellie; Lee, So Yeun Christine; Kneitschel, Nika; Chang, Jennifer; Zhu, Kathleen; Mello, Tatsiana; Bancroft, Laura; Norman, Natalie J.; Zheng, Shao-Liang","Regioselective Synthesis, NMR, and Crystallographic Analysis of N1-Substituted Pyrazoles.","The Journal of organic chemistry","2017","82","17","8864","8872","10.1021/acs.joc.7b01006","","","1.54178","CuKα","","0.0396","0.0333","","","0.0739","0.0767","","","","","","1.069","","","","has coordinates","200456","2020-10-21","18:00:00",""
"4032788","6.9102","0.0002","7.5569","0.0003","21.8746","0.0007","95.895","0.002","96.939","0.002","94.396","0.002","1123.32","0.07","100","2","100","2","","","","","","","","4","P -1","-P 1","2","","","","- C12 H11 N3 O2 -","- C12 H11 N3 O2 -","- C48 H44 N12 O8 -","4","2","","Huang, Adrian; Wo, Kellie; Lee, So Yeun Christine; Kneitschel, Nika; Chang, Jennifer; Zhu, Kathleen; Mello, Tatsiana; Bancroft, Laura; Norman, Natalie J.; Zheng, Shao-Liang","Regioselective Synthesis, NMR, and Crystallographic Analysis of N1-Substituted Pyrazoles.","The Journal of organic chemistry","2017","82","17","8864","8872","10.1021/acs.joc.7b01006","","","1.54178","CuKα","","0.0732","0.0573","","","0.1511","0.1612","","","","","","1.078","","","","has coordinates","200456","2020-10-21","18:00:00",""
"4032789","7.693","0.0002","6.6662","0.0002","7.3655","0.0002","90","","101.9","0.0012","90","","369.608","0.018","100","2","100","2","","","","","","","","4","C 1 m 1","C -2y","8","","","","- C6 H9 N3 O2 -","- C6 H9 N3 O2 -","- C12 H18 N6 O4 -","2","0.5","","Huang, Adrian; Wo, Kellie; Lee, So Yeun Christine; Kneitschel, Nika; Chang, Jennifer; Zhu, Kathleen; Mello, Tatsiana; Bancroft, Laura; Norman, Natalie J.; Zheng, Shao-Liang","Regioselective Synthesis, NMR, and Crystallographic Analysis of N1-Substituted Pyrazoles.","The Journal of organic chemistry","2017","82","17","8864","8872","10.1021/acs.joc.7b01006","","","1.54178","CuKα","","0.0232","0.0232","","","0.0606","0.0606","","","","","","1.129","","","","has coordinates","200456","2020-10-21","18:00:00",""
"4032790","11.0134","0.0006","9.5835","0.0005","19.539","0.001","90","","90","","90","","2062.28","0.19","100","2","100","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C11 H11 N3 O2 -","- C11 H11 N3 O2 -","- C88 H88 N24 O16 -","8","1","","Huang, Adrian; Wo, Kellie; Lee, So Yeun Christine; Kneitschel, Nika; Chang, Jennifer; Zhu, Kathleen; Mello, Tatsiana; Bancroft, Laura; Norman, Natalie J.; Zheng, Shao-Liang","Regioselective Synthesis, NMR, and Crystallographic Analysis of N1-Substituted Pyrazoles.","The Journal of organic chemistry","2017","82","17","8864","8872","10.1021/acs.joc.7b01006","","","0.71073","MoKα","","0.0446","0.0346","","","0.0827","0.0891","","","","","","1.045","","","","has coordinates","200456","2020-10-21","18:00:00",""
"4032791","17.164","0.0007","4.9032","0.0002","11.0678","0.0004","90","","90","","90","","931.45","0.06","100","2","100","2","","","","","","","","4","P c a 21","P 2c -2ac","29","","","","- C9 H6 N4 O4 -","- C9 H6 N4 O4 -","- C36 H24 N16 O16 -","4","1","","Huang, Adrian; Wo, Kellie; Lee, So Yeun Christine; Kneitschel, Nika; Chang, Jennifer; Zhu, Kathleen; Mello, Tatsiana; Bancroft, Laura; Norman, Natalie J.; Zheng, Shao-Liang","Regioselective Synthesis, NMR, and Crystallographic Analysis of N1-Substituted Pyrazoles.","The Journal of organic chemistry","2017","82","17","8864","8872","10.1021/acs.joc.7b01006","","","1.54178","CuKα","","0.0346","0.0335","","","0.0868","0.0879","","","","","","1.059","","","","has coordinates","200456","2020-10-21","18:00:00",""
"4032792","10.0313","0.001","3.8374","0.0004","25.196","0.002","90","","96.953","0.006","90","","962.76","0.16","100","2","100","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C9 H6 N4 O4 -","- C9 H6 N4 O4 -","- C36 H24 N16 O16 -","4","1","","Huang, Adrian; Wo, Kellie; Lee, So Yeun Christine; Kneitschel, Nika; Chang, Jennifer; Zhu, Kathleen; Mello, Tatsiana; Bancroft, Laura; Norman, Natalie J.; Zheng, Shao-Liang","Regioselective Synthesis, NMR, and Crystallographic Analysis of N1-Substituted Pyrazoles.","The Journal of organic chemistry","2017","82","17","8864","8872","10.1021/acs.joc.7b01006","","","1.54178","CuKα","","0.0491","0.0436","","","0.118","0.1222","","","","","","1.074","","","","has coordinates","200456","2020-10-21","18:00:00",""
"4032793","3.7941","0.0002","13.5676","0.001","18.5776","0.0013","90","","90.69","0.004","90","","956.25","0.11","100","2","100","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C10 H6 N4 O2 -","- C10 H6 N4 O2 -","- C40 H24 N16 O8 -","4","1","","Huang, Adrian; Wo, Kellie; Lee, So Yeun Christine; Kneitschel, Nika; Chang, Jennifer; Zhu, Kathleen; Mello, Tatsiana; Bancroft, Laura; Norman, Natalie J.; Zheng, Shao-Liang","Regioselective Synthesis, NMR, and Crystallographic Analysis of N1-Substituted Pyrazoles.","The Journal of organic chemistry","2017","82","17","8864","8872","10.1021/acs.joc.7b01006","","","1.54178","CuKα","","0.0417","0.0352","","","0.0907","0.094","","","","","","1.061","","","","has coordinates,has disorder","200456","2020-10-21","18:00:00",""
"4032794","11.9915","0.0003","14.3694","0.0004","11.2447","0.0003","90","","102.04","0.0011","90","","1894.96","0.09","100","2","100","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C10 H6 N4 O2 -","- C10 H6 N4 O2 -","- C80 H48 N32 O16 -","8","2","","Huang, Adrian; Wo, Kellie; Lee, So Yeun Christine; Kneitschel, Nika; Chang, Jennifer; Zhu, Kathleen; Mello, Tatsiana; Bancroft, Laura; Norman, Natalie J.; Zheng, Shao-Liang","Regioselective Synthesis, NMR, and Crystallographic Analysis of N1-Substituted Pyrazoles.","The Journal of organic chemistry","2017","82","17","8864","8872","10.1021/acs.joc.7b01006","","","1.54178","CuKα","","0.0464","0.0354","","","0.0769","0.0828","","","","","","1.089","","","","has coordinates","200456","2020-10-21","18:00:00",""
"4032795","3.79733","0.00006","11.3573","0.0002","26.8872","0.0004","90","","91.2826","0.001","90","","1159.28","0.03","100","2","100","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C12 H11 N3 O4 -","- C12 H11 N3 O4 -","- C48 H44 N12 O16 -","4","1","","Huang, Adrian; Wo, Kellie; Lee, So Yeun Christine; Kneitschel, Nika; Chang, Jennifer; Zhu, Kathleen; Mello, Tatsiana; Bancroft, Laura; Norman, Natalie J.; Zheng, Shao-Liang","Regioselective Synthesis, NMR, and Crystallographic Analysis of N1-Substituted Pyrazoles.","The Journal of organic chemistry","2017","82","17","8864","8872","10.1021/acs.joc.7b01006","","","1.54178","CuKα","","0.0396","0.0329","","","0.0796","0.084","","","","","","1.06","","","","has coordinates","200456","2020-10-21","18:00:00",""
"4032796","13.7446","0.0009","10.6979","0.0007","16.3339","0.0011","90","","110.418","0.001","90","","2250.8","0.3","100","2","100","2","","","","","","","","5","P 1 2/c 1","-P 2yc","13","","","","- C10 H9 N3 O4 S -","- C10 H9 N3 O4 S -","- C80 H72 N24 O32 S8 -","8","2","","Huang, Adrian; Wo, Kellie; Lee, So Yeun Christine; Kneitschel, Nika; Chang, Jennifer; Zhu, Kathleen; Mello, Tatsiana; Bancroft, Laura; Norman, Natalie J.; Zheng, Shao-Liang","Regioselective Synthesis, NMR, and Crystallographic Analysis of N1-Substituted Pyrazoles.","The Journal of organic chemistry","2017","82","17","8864","8872","10.1021/acs.joc.7b01006","","","0.71073","MoKα","","0.0741","0.049","","","0.1272","0.1458","","","","","","1.047","","","","has coordinates","200456","2020-10-21","18:00:00",""
"4032797","17.4187","0.0005","4.9357","0.0001","20.9705","0.0006","90","","90","","90","","1802.91","0.08","100","2","100","2","","","","","","","","4","P c a 21","P 2c -2ac","29","","","","- C8 H5 N5 O4 -","- C8 H5 N5 O4 -","- C64 H40 N40 O32 -","8","2","","Huang, Adrian; Wo, Kellie; Lee, So Yeun Christine; Kneitschel, Nika; Chang, Jennifer; Zhu, Kathleen; Mello, Tatsiana; Bancroft, Laura; Norman, Natalie J.; Zheng, Shao-Liang","Regioselective Synthesis, NMR, and Crystallographic Analysis of N1-Substituted Pyrazoles.","The Journal of organic chemistry","2017","82","17","8864","8872","10.1021/acs.joc.7b01006","","","1.54178","CuKα","","0.0324","0.028","","","0.069","0.0742","","","","","","1.074","","","","has coordinates","200456","2020-10-21","18:00:00",""
"4032798","18.6126","0.0008","26.1321","0.0012","8.1858","0.0004","90","","90","","90","","3981.5","0.3","100","2","100","2","","","","","","","","4","F d d 2","F 2 -2d","43","","","","- C8 H5 N5 O4 -","- C8 H5 N5 O4 -","- C128 H80 N80 O64 -","16","1","","Huang, Adrian; Wo, Kellie; Lee, So Yeun Christine; Kneitschel, Nika; Chang, Jennifer; Zhu, Kathleen; Mello, Tatsiana; Bancroft, Laura; Norman, Natalie J.; Zheng, Shao-Liang","Regioselective Synthesis, NMR, and Crystallographic Analysis of N1-Substituted Pyrazoles.","The Journal of organic chemistry","2017","82","17","8864","8872","10.1021/acs.joc.7b01006","","","1.54178","CuKα","","0.0388","0.0373","","","0.0983","0.1002","","","","","","1.06","","","","has coordinates","200456","2020-10-21","18:00:00",""
"4032799","3.82","0.0003","13.4306","0.0011","17.8756","0.0014","90","","91.917","0.003","90","","916.59","0.13","100","2","100","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C9 H5 N5 O2 -","- C9 H5 N5 O2 -","- C36 H20 N20 O8 -","4","1","","Huang, Adrian; Wo, Kellie; Lee, So Yeun Christine; Kneitschel, Nika; Chang, Jennifer; Zhu, Kathleen; Mello, Tatsiana; Bancroft, Laura; Norman, Natalie J.; Zheng, Shao-Liang","Regioselective Synthesis, NMR, and Crystallographic Analysis of N1-Substituted Pyrazoles.","The Journal of organic chemistry","2017","82","17","8864","8872","10.1021/acs.joc.7b01006","","","0.71073","MoKα","","0.0687","0.0522","","","0.1265","0.1441","","","","","","1.192","","","","has coordinates","200456","2020-10-21","18:00:00",""
"4032800","6.9695","0.0002","11.9143","0.0003","22.1069","0.0006","90","","90","","90","","1835.68","0.09","100","2","100","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C9 H5 N5 O2 -","- C9 H5 N5 O2 -","- C72 H40 N40 O16 -","8","1","","Huang, Adrian; Wo, Kellie; Lee, So Yeun Christine; Kneitschel, Nika; Chang, Jennifer; Zhu, Kathleen; Mello, Tatsiana; Bancroft, Laura; Norman, Natalie J.; Zheng, Shao-Liang","Regioselective Synthesis, NMR, and Crystallographic Analysis of N1-Substituted Pyrazoles.","The Journal of organic chemistry","2017","82","17","8864","8872","10.1021/acs.joc.7b01006","","","1.54178","CuKα","","0.0398","0.0323","","","0.0774","0.0817","","","","","","1.048","","","","has coordinates","200456","2020-10-21","18:00:00",""
"4032801","3.7784","0.0001","24.5524","0.0006","9.8852","0.0003","90","","97.1767","0.0016","90","","909.85","0.04","100","2","100","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C8 H5 Br N4 O2 -","- C8 H5 Br N4 O2 -","- C32 H20 Br4 N16 O8 -","4","1","","Huang, Adrian; Wo, Kellie; Lee, So Yeun Christine; Kneitschel, Nika; Chang, Jennifer; Zhu, Kathleen; Mello, Tatsiana; Bancroft, Laura; Norman, Natalie J.; Zheng, Shao-Liang","Regioselective Synthesis, NMR, and Crystallographic Analysis of N1-Substituted Pyrazoles.","The Journal of organic chemistry","2017","82","17","8864","8872","10.1021/acs.joc.7b01006","","","0.71073","MoKα","","0.0245","0.0213","","","0.0451","0.0461","","","","","","1.152","","","","has coordinates","200456","2020-10-21","18:00:00",""
"4032802","16.8784","0.0002","6.79041","0.0001","17.2448","0.0003","90","","105.835","0.0008","90","","1901.45","0.05","100","2","100","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C8 H5 I N4 O2 -","- C8 H5 I N4 O2 -","- C64 H40 I8 N32 O16 -","8","2","","Huang, Adrian; Wo, Kellie; Lee, So Yeun Christine; Kneitschel, Nika; Chang, Jennifer; Zhu, Kathleen; Mello, Tatsiana; Bancroft, Laura; Norman, Natalie J.; Zheng, Shao-Liang","Regioselective Synthesis, NMR, and Crystallographic Analysis of N1-Substituted Pyrazoles.","The Journal of organic chemistry","2017","82","17","8864","8872","10.1021/acs.joc.7b01006","","","0.71073","MoKα","","0.037","0.03","","","0.0597","0.0621","","","","","","1.072","","","","has coordinates","200456","2020-10-21","18:00:00",""
"4032803","5.9065","0.0002","23.8475","0.0007","6.561","0.0002","90","","106.476","0.0009","90","","886.2","0.05","100","2","100","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C7 H4 Br N5 O2 -","- C7 H4 Br N5 O2 -","- C28 H16 Br4 N20 O8 -","4","1","","Huang, Adrian; Wo, Kellie; Lee, So Yeun Christine; Kneitschel, Nika; Chang, Jennifer; Zhu, Kathleen; Mello, Tatsiana; Bancroft, Laura; Norman, Natalie J.; Zheng, Shao-Liang","Regioselective Synthesis, NMR, and Crystallographic Analysis of N1-Substituted Pyrazoles.","The Journal of organic chemistry","2017","82","17","8864","8872","10.1021/acs.joc.7b01006","","","0.71073","MoKα","","0.0247","0.0207","","","0.0459","0.0472","","","","","","1.16","","","","has coordinates","200456","2020-10-21","18:00:00",""
"4032804","3.9074","0.0001","12.9574","0.0005","18.5066","0.0007","90","","90","","90","","936.98","0.06","100","2","100","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C10 H9 N3 O2 -","- C10 H9 N3 O2 -","- C40 H36 N12 O8 -","4","1","","Huang, Adrian; Wo, Kellie; Lee, So Yeun Christine; Kneitschel, Nika; Chang, Jennifer; Zhu, Kathleen; Mello, Tatsiana; Bancroft, Laura; Norman, Natalie J.; Zheng, Shao-Liang","Regioselective Synthesis, NMR, and Crystallographic Analysis of N1-Substituted Pyrazoles.","The Journal of organic chemistry","2017","82","17","8864","8872","10.1021/acs.joc.7b01006","","","1.54178","CuKα","","0.0397","0.0384","","","0.1072","0.1082","","","","","","1.084","","","","has coordinates","200456","2020-10-21","18:00:00",""
"4032805","7.8683","0.0005","11.5556","0.0008","11.5585","0.0008","90","","96.3412","0.0011","90","","1044.5","0.12","100","2","100","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C10 H6 F3 N3 O2 -","- C10 H6 F3 N3 O2 -","- C40 H24 F12 N12 O8 -","4","1","","Huang, Adrian; Wo, Kellie; Lee, So Yeun Christine; Kneitschel, Nika; Chang, Jennifer; Zhu, Kathleen; Mello, Tatsiana; Bancroft, Laura; Norman, Natalie J.; Zheng, Shao-Liang","Regioselective Synthesis, NMR, and Crystallographic Analysis of N1-Substituted Pyrazoles.","The Journal of organic chemistry","2017","82","17","8864","8872","10.1021/acs.joc.7b01006","","","0.71073","MoKα","","0.0441","0.038","","","0.0965","0.1021","","","","","","1.042","","","","has coordinates,has disorder","200456","2020-10-21","18:00:00",""
"4032806","3.81","0.0002","26.9866","0.0017","11.1734","0.0007","90","","94.412","0.004","90","","1145.43","0.12","100","2","100","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C12 H11 N3 O4 -","- C12 H11 N3 O4 -","- C48 H44 N12 O16 -","4","1","","Huang, Adrian; Wo, Kellie; Lee, So Yeun Christine; Kneitschel, Nika; Chang, Jennifer; Zhu, Kathleen; Mello, Tatsiana; Bancroft, Laura; Norman, Natalie J.; Zheng, Shao-Liang","Regioselective Synthesis, NMR, and Crystallographic Analysis of N1-Substituted Pyrazoles.","The Journal of organic chemistry","2017","82","17","8864","8872","10.1021/acs.joc.7b01006","","","1.54178","CuKα","","0.0372","0.0355","","","0.09","0.0911","","","","","","1.061","","","","has coordinates","200456","2020-10-21","18:00:00",""
"4032807","11.9252","0.001","11.1719","0.0009","14.2655","0.0012","90","","100.883","0.0014","90","","1866.4","0.3","100","2","100","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C9 H6 Br N3 O2 -","- C9 H6 Br N3 O2 -","- C72 H48 Br8 N24 O16 -","8","1","","Huang, Adrian; Wo, Kellie; Lee, So Yeun Christine; Kneitschel, Nika; Chang, Jennifer; Zhu, Kathleen; Mello, Tatsiana; Bancroft, Laura; Norman, Natalie J.; Zheng, Shao-Liang","Regioselective Synthesis, NMR, and Crystallographic Analysis of N1-Substituted Pyrazoles.","The Journal of organic chemistry","2017","82","17","8864","8872","10.1021/acs.joc.7b01006","","","0.71073","MoKα","","0.0248","0.021","","","0.0573","0.0585","","","","","","1.112","","","","has coordinates","200456","2020-10-21","18:00:00",""
"4032808","7.2479","0.0008","16.0198","0.0018","10.5934","0.0012","90","","99.1343","0.0018","90","","1214.4","0.2","100","2","100","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C15 H11 N3 O2 -","- C15 H11 N3 O2 -","- C60 H44 N12 O8 -","4","1","","Huang, Adrian; Wo, Kellie; Lee, So Yeun Christine; Kneitschel, Nika; Chang, Jennifer; Zhu, Kathleen; Mello, Tatsiana; Bancroft, Laura; Norman, Natalie J.; Zheng, Shao-Liang","Regioselective Synthesis, NMR, and Crystallographic Analysis of N1-Substituted Pyrazoles.","The Journal of organic chemistry","2017","82","17","8864","8872","10.1021/acs.joc.7b01006","","","0.71073","MoKα","","0.046","0.0358","","","0.0911","0.0978","","","","","","1.032","","","","has coordinates","200456","2020-10-21","18:00:00",""
"4032809","10.951","0.0007","11.4414","0.0007","11.9203","0.0007","86.741","0.005","63.415","0.006","86.611","0.005","1332.53","0.16","293","2","293","2","","","","","","","","4","P -1","-P 1","2","","","","- C16 H13 N3 O -","- C16 H13 N3 O -","- C64 H52 N12 O4 -","4","2","","Liu, Yi; Nie, Gang; Zhou, Zhongzhen; Jia, Lihui; Chen, Yunfeng","Copper-Catalyzed Oxidative Cross-Dehydrogenative Coupling/Oxidative Cycloaddition: Synthesis of 4-Acyl-1,2,3-Triazoles.","The Journal of organic chemistry","2017","82","17","9198","9203","10.1021/acs.joc.7b01429","","","0.71073","MoKα","","0.0763","0.0477","","","0.1104","0.1308","","","","","","1.053","","","","has coordinates","250444","2020-10-21","18:00:00",""
"4032810","7.531","0.002","8.12","0.003","23.756","0.008","90","","94.41","0.007","90","","1448.4","0.8","100","2","100","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C20 H14 N2 O2 -","- C20 H14 N2 O2 -","- C80 H56 N8 O8 -","4","1","","Biswas, Aniruddha; Karmakar, Ujjwal; Nandi, Shiny; Samanta, Rajarshi","Copper-Catalyzed Direct, Regioselective Arylamination of N-Oxides: Studies To Access Conjugated π-Systems.","The Journal of organic chemistry","2017","82","17","8933","8942","10.1021/acs.joc.7b01343","","","0.71073","MoKα","","0.1534","0.0745","","","0.1995","0.2842","","","","","","0.953","","","","has coordinates","200458","2020-10-21","18:00:00",""
"4032811","10.181","0.002","11.283","0.002","18.953","0.004","90","","99.67","0.03","90","","2146.2","0.8","295","2","295","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C27 H23 N O2 -","- C27 H23 N O2 -","- C108 H92 N4 O8 -","4","1","","Liu, Yunyun; Zhang, Yi; Wan, Jie-Ping","Multicomponent Synthesis of Diverse o-Arylated Benzamides via o-Aminophenol (OAP) Directed C(sp(2))-H Arylation.","The Journal of organic chemistry","2017","82","17","8950","8957","10.1021/acs.joc.7b01375","","","0.71073","MoKα","","0.073","0.0432","","","0.1121","0.1331","","","","","","1.093","","","","has coordinates","200459","2020-10-21","18:00:00",""
"4032812","13.3569","0.0002","8.15707","0.00012","17.6178","0.0003","90","","107.156","0.0009","90","","1834.1","0.05","100","2","100","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C20 H20 Br N O4 -","- C20 H20 Br N O4 -","- C80 H80 Br4 N4 O16 -","4","1","","Garve, Lennart K. B.; Kreft, Alexander; Jones, Peter G.; Werz, Daniel B.","Synthesis of 2-Unsubstituted Pyrrolidines and Piperidines from Donor-Acceptor Cyclopropanes and Cyclobutanes: 1,3,5-Triazinanes as Surrogates for Formylimines.","The Journal of organic chemistry","2017","82","17","9235","9242","10.1021/acs.joc.7b01631","","","1.54184","CuKα","","0.0333","0.0286","","","0.0709","0.0746","","","","","","1.046","","","","has coordinates","200460","2020-10-21","18:00:00",""
"4032813","10.5537","0.0016","8.9576","0.0013","11.7956","0.0019","90","","113.549","0.003","90","","1022.2","0.3","130","","130","","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C12 H15 N O -","- C12 H15 N O -","- C48 H60 N4 O4 -","4","1","","Tang, Mi; Sun, Rengwei; Li, Hao; Yu, Xinhong; Wang, Wei","An Unconventional Redox Cross Claisen Condensation-Aromatization of 4-Hydroxyprolines with Ketones.","The Journal of organic chemistry","2017","82","16","8419","8425","10.1021/acs.joc.7b01033","","","0.71073","MoKα","","0.0734","0.0506","","","0.1206","0.133","","","","","","1.031","","","","has coordinates","200461","2020-10-21","18:00:00",""
"4032814","17.0424","0.0008","5.8162","0.0003","21.1265","0.0012","90","","91.919","0.005","90","","2092.93","0.19","289.86","0.1","289.86","0.1","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C25 H19 N O4 S -","- C25 H19 N O4 S -","- C100 H76 N4 O16 S4 -","4","1","","Zhu, Xin-Yu; Li, Ming; Han, Ya-Ping; Chen, Si; Li, Xue-Song; Liang, Yong-Min","Copper-Catalyzed Oxidative Cyclization of Alkynes with Sulfonylhydrazides Leading to 2-Sulfonated 9H-pyrrolo[1,2-a]indol-9-ones.","The Journal of organic chemistry","2017","82","16","8761","8768","10.1021/acs.joc.7b01497","","","0.71073","MoKα","","0.114","0.0633","","","0.1368","0.1746","","","","","","1.044","","","","has coordinates,has disorder","200462","2020-10-21","18:00:00",""
"4032815","12.2306","0.0004","9.0943","0.0003","13.4271","0.0005","90","","114.092","0.0008","90","","1363.38","0.08","100","2","100","2","","","","","","","","6","P 1 21 1","P 2yb","4","","(1S,2R,4S,5R)-2-((S)-hydroxy(1-methylquinolin-1-ium-4-yl) methyl)-1-(4-nitrobenzyl)-5-vinylquinuclidin-1-ium Iodide Bromide Monohydrate","","- C27 H33 Br I N3 O4 -","- C27 H33 Br I N3 O4 -","- C54 H66 Br2 I2 N6 O8 -","2","1","","He, Cyndi Qixin; Simon, Adam; Lam, Yu-Hong; Brunskill, Andrew P. J.; Yasuda, Nobuyoshi; Tan, Jiajing; Hyde, Alan M.; Sherer, Edward C.; Houk, K. N.","Model for the Enantioselectivity of Asymmetric Intramolecular Alkylations by Bis-Quaternized Cinchona Alkaloid-Derived Catalysts.","The Journal of organic chemistry","2017","82","16","8645","8650","10.1021/acs.joc.7b01577","","","1.54178","CuKα","","0.0474","0.0474","","","0.1256","0.1256","","","","","","1.064","","","","has coordinates","200463","2020-10-21","18:00:00",""
"4032816","11.377","0.005","30.75","0.014","15.411","0.007","90","","91.92","0.006","90","","5388","4","296","2","296","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C29 H36 O5 -","- C29 H36 O5 -","- C232 H288 O40 -","8","2","","Yuan, Zhenbo; Liu, Lina; Pan, Rui; Yao, Hequan; Lin, Aijun","Silver-Catalyzed Cascade 1,6-Addition/Cyclization of para-Quinone Methides with Propargyl Malonates: An Approach to Spiro[4.5]deca-6,9-dien-8-ones.","The Journal of organic chemistry","2017","82","16","8743","8751","10.1021/acs.joc.7b01400","","","0.71073","MoKα","","0.1193","0.0664","","","0.1675","0.1898","","","","","","0.978","","","","has coordinates","200464","2020-10-21","18:00:00",""
"4032817","16.13","0.003","10.2406","0.0018","23.601","0.004","90","","102.039","0.003","90","","3812.7","1.2","188","2","188","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C70 H8 S4 -","- C70 H8 S4 -","- C280 H32 S16 -","4","1","","Li, Zong-Jun; Wang, Sisi; Li, Shu-Hui; Sun, Tao; Yang, Wei-Wei; Shoyama, Kazutaka; Nakagawa, Takafumi; Jeon, Il; Yang, Xiaoniu; Matsuo, Yutaka; Gao, Xiang","Regiocontrolled Electrosynthesis of [60]Fullerene Bisadducts: Photovoltaic Performance and Crystal Structures of C60 o-Quinodimethane Bisadducts.","The Journal of organic chemistry","2017","82","16","8676","8685","10.1021/acs.joc.7b01732","","","0.71073","MoKα","","0.1097","0.083","","","0.2133","0.2273","","","","","","1.114","","","","has coordinates","200466","2020-10-21","18:00:00",""
"4032818","10.158","0.0012","19.515","0.002","23.955","0.003","90","","94.195","0.002","90","","4736","0.9","188","2","188","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C79 H16 S6 -","- C79 H16 S6 -","- C316 H64 S24 -","4","1","","Li, Zong-Jun; Wang, Sisi; Li, Shu-Hui; Sun, Tao; Yang, Wei-Wei; Shoyama, Kazutaka; Nakagawa, Takafumi; Jeon, Il; Yang, Xiaoniu; Matsuo, Yutaka; Gao, Xiang","Regiocontrolled Electrosynthesis of [60]Fullerene Bisadducts: Photovoltaic Performance and Crystal Structures of C60 o-Quinodimethane Bisadducts.","The Journal of organic chemistry","2017","82","16","8676","8685","10.1021/acs.joc.7b01732","","","0.71073","MoKα","","0.1171","0.0689","","","0.1627","0.1934","","","","","","1.019","","","","has coordinates","200466","2020-10-21","18:00:00",""
"4032819","22.3397","0.0019","10.2812","0.0009","20.0732","0.0017","90","","100.056","0.001","90","","4539.6","0.7","188","2","188","2","","","","","","","","3","C 1 2/c 1","-C 2yc","15","","","","- C39 H9 Cl3 -","- C39 H9 Cl3 -","- C312 H72 Cl24 -","8","1","","Li, Zong-Jun; Wang, Sisi; Li, Shu-Hui; Sun, Tao; Yang, Wei-Wei; Shoyama, Kazutaka; Nakagawa, Takafumi; Jeon, Il; Yang, Xiaoniu; Matsuo, Yutaka; Gao, Xiang","Regiocontrolled Electrosynthesis of [60]Fullerene Bisadducts: Photovoltaic Performance and Crystal Structures of C60 o-Quinodimethane Bisadducts.","The Journal of organic chemistry","2017","82","16","8676","8685","10.1021/acs.joc.7b01732","","","0.71073","MoKα","","0.0791","0.0562","","","0.1321","0.1469","","","","","","1.028","","","","has coordinates","200466","2020-10-21","18:00:00",""
"4032820","22.5926","0.0006","17.1813","0.0004","24.2882","0.0006","90","","116.291","0.001","90","","8452.7","0.4","190","2","190","2","","","","","","","","2","P 1 21/c 1","-P 2ybc","14","","","","- C82 H22 -","- C82 H22 -","- C656 H176 -","8","2","","Li, Zong-Jun; Wang, Sisi; Li, Shu-Hui; Sun, Tao; Yang, Wei-Wei; Shoyama, Kazutaka; Nakagawa, Takafumi; Jeon, Il; Yang, Xiaoniu; Matsuo, Yutaka; Gao, Xiang","Regiocontrolled Electrosynthesis of [60]Fullerene Bisadducts: Photovoltaic Performance and Crystal Structures of C60 o-Quinodimethane Bisadducts.","The Journal of organic chemistry","2017","82","16","8676","8685","10.1021/acs.joc.7b01732","","","1.54184","CuKα","","0.0672","0.0431","","","0.0994","0.1108","","","","","","1.045","","","","has coordinates","200466","2020-10-21","18:00:00",""
"4032821","12.785","0.006","20.503","0.009","7.913","0.003","90","","96.022","0.013","90","","2062.8","1.5","297","2","297","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C25 H18 Br N O3 -","- C25 H18 Br N O3 -","- C100 H72 Br4 N4 O12 -","4","1","","Xia, Xiao-Feng; Zhang, Guo-Wei; Wang, Dawei; Zhu, Su-Li","Visible-Light Induced and Oxygen-Promoted Oxidative Cyclization of Aromatic Enamines for the Synthesis of Quinolines Derivatives.","The Journal of organic chemistry","2017","82","16","8455","8463","10.1021/acs.joc.7b01206","","","0.71073","MoKα","","0.066","0.0447","","","0.1057","0.1222","","","","","","1.05","","","","has coordinates","200467","2020-10-21","18:00:00",""
"4032822","9.2638","0.0008","10.2009","0.0009","14.8127","0.0012","72.639","0.002","83.77","0.002","65.418","0.002","1214.73","0.18","296","2","296","2","","","","","","","","5","P -1","-P 1","2","","","","- C27 H27 O3 P S -","- C27 H27 O3 P S -","- C54 H54 O6 P2 S2 -","2","1","","Luo, Kai; Zhang, Ling; Ma, Jing; Sha, Qiang; Wu, Lei","Acetic Acid Mediated Sulfonylation of Allenylphosphine Oxides: Divergent Synthesis of Bifunctionalized 1,3-Butadienes and Allenes.","The Journal of organic chemistry","2017","82","13","6978","6985","10.1021/acs.joc.7b00813","","","0.71073","MoKα","","0.1004","0.065","","","0.1592","0.1726","","","","","","1.06","","","","has coordinates","200468","2020-10-21","18:00:00",""
"4032823","8.57829","0.00016","18.2622","0.0003","15.8812","0.0003","90","","95.524","0.007","90","","2476.37","0.08","93","","93","","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C24 H29 F3 N2 O3 Si -","- C24 H29 F3 N2 O3 Si -","- C96 H116 F12 N8 O12 Si4 -","4","2","","Matsuzawa, Akinobu; Noda, Hidetoshi; Kumagai, Naoya; Shibasaki, Masakatsu","Direct Catalytic Asymmetric Aldol Addition of an α-CF3 Amide to Arylglyoxal Hydrates.","The Journal of organic chemistry","2017","82","15","8304","8308","10.1021/acs.joc.7b01381","","","1.54187","CuKα","","0.0394","0.036","","","0.0949","0.0998","","","","","","1.123","","","","has coordinates","200469","2020-10-21","18:00:00",""
"4032824","10.415","0.002","12.716","0.003","10.387","0.002","90","","110.369","0.005","90","","1289.6","0.5","296","2","296.15","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C15 H14 N2 O -","- C15 H14 N2 O -","- C60 H56 N8 O4 -","4","1","","Chu, Haoke; Dai, Qiang; Jiang, Yan; Cheng, Jiang","Synthesis of 2-Amino-3-hydroxy-3H-indoles via Palladium-Catalyzed One-Pot Reaction of Isonitriles, Oxygen, and N-Tosylhydrazones Derived from 2-Acylanilines.","The Journal of organic chemistry","2017","82","15","8267","8272","10.1021/acs.joc.7b01195","","","0.71073","MoKα","","0.089","0.058","","","0.1484","0.1724","","","","","","1.042","","","","has coordinates","200470","2020-10-21","18:00:00",""
"4032825","7.3153","0.0001","31.4358","0.0003","7.8245","0.0001","90","","94.8743","0.0008","90","","1792.83","0.04","150","","150","","","","","","","","","3","P 1 21 1","P 2yb","4","","","","- C18 H23 O7.5 -","- C18 H23 O7.5 -","- C72 H92 O30 -","4","2","","Buckler, Joshua N.; Taher, Ehab S.; Fraser, Nicolas J.; Willis, Anthony C.; Carr, Paul D.; Jackson, Colin J.; Banwell, Martin G.","The Synthesis of Certain Derivatives and Analogues of (-)- and (+)-Galanthamine and an Assessment of their Capacities to Inhibit Acetylcholine Esterase.","The Journal of organic chemistry","2017","82","15","7869","7886","10.1021/acs.joc.7b01062","","","1.54184","CuKα","","0.0309","0.0306","","0.0788","0.0786","0.0788","","","","","","1","","","","has coordinates","200471","2020-10-21","18:00:00",""
"4032826","8.1119","0.0008","9.8266","0.0011","11.556","0.0012","76.289","0.009","86.458","0.008","78.125","0.009","875.67","0.17","291","2","291.15","","","","","","","","","4","P -1","-P 1","2","","","","- C20 H19 N3 O3 -","- C20 H19 N3 O3 -","- C40 H38 N6 O6 -","2","1","","Zhao, Xuna; Liu, Tong-Xin; Ma, Nana; Zhang, Guisheng","In Situ Generated TEMPO Oxoammonium Salt Mediated Tandem Cyclization of β-Oxoamides with Amine Hydrochlorides for the Synthesis of Pyrrolin-4-ones.","The Journal of organic chemistry","2017","82","12","6125","6132","10.1021/acs.joc.7b00686","","","1.54184","CuKα","","0.0509","0.039","","","0.0971","0.109","","","","","","1.032","","","","has coordinates","200472","2020-10-21","18:00:00",""
"4032827","14.7063","0.0004","10.0708","0.0003","14.2801","0.0004","90","","101.103","0.001","90","","2075.36","0.1","110","2","110","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C24 H28 N2 S2 -","- C24 H28 N2 S2 -","- C96 H112 N8 S8 -","4","1","","Shokri, Siamak; Li, Jingbai; Manna, Manoj K.; Wiederrecht, Gary P.; Gosztola, David J.; Ugrinov, Angel; Jockusch, Steffen; Rogachev, Andrey Yu; Ayitou, A Jean-Luc","A Naphtho-p-quinodimethane Exhibiting Baird's (Anti)Aromaticity, Broken Symmetry, and Attractive Photoluminescence.","The Journal of organic chemistry","2017","82","19","10167","10173","10.1021/acs.joc.7b01647","","","1.54178","CuKα","","0.0361","0.0331","","","0.0864","0.0888","","","","","","1.067","","","","has coordinates","202684","2020-10-21","18:00:00",""
"4032828","9.136","0.007","8.483","0.007","13.462","0.009","90","","100.47","0.02","90","","1025.9","1.3","199","2","199","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C24 H26 N2 O4 -","- C24 H26 N2 O4 -","- C48 H52 N4 O8 -","2","0.5","","Shokri, Siamak; Li, Jingbai; Manna, Manoj K.; Wiederrecht, Gary P.; Gosztola, David J.; Ugrinov, Angel; Jockusch, Steffen; Rogachev, Andrey Yu; Ayitou, A Jean-Luc","A Naphtho-p-quinodimethane Exhibiting Baird's (Anti)Aromaticity, Broken Symmetry, and Attractive Photoluminescence.","The Journal of organic chemistry","2017","82","19","10167","10173","10.1021/acs.joc.7b01647","","","0.71073","MoKα","","0.1173","0.0716","","","0.1739","0.2009","","","","","","1.053","","","","has coordinates","202684","2020-10-21","18:00:00",""
"4032829","10.0344","0.0002","10.3739","0.0002","11.6159","0.0002","87.53","0.001","67.052","0.001","61.903","0.001","967.44","0.03","100","2","100","2","","","","","","","","6","P -1","-P 1","2","","","","- C19 H16 F3 I O4 S -","- C19 H16 F3 I O4 S -","- C38 H32 F6 I2 O8 S2 -","2","1","","Hinkle, Robert J.; Bredenkamp, Sarah E.; Pike, Robert D.; Cheon, Seong Ik","Electrophilic Cyclization of Phenylalkynediols to Naphthyl(aryl)iodonium Triflates with Chelating Hydroxyls: Preparation and X-ray Analyses.","The Journal of organic chemistry","2017","82","22","11781","11786","10.1021/acs.joc.7b01619","","","1.54178","CuKα","","0.0206","0.0205","","","0.0532","0.0533","","","","","","1.035","","","","has coordinates","204823","2020-10-21","18:00:00",""
"4032830","9.633","0.0008","9.8645","0.0008","10.6804","0.0009","109.007","0.001","106.612","0.001","93.966","0.001","904.65","0.13","100","2","100","2","","","","","","","","6","P -1","-P 1","2","","","","- C18 H14 F3 I O4 S -","- C18 H14 F3 I O4 S -","- C36 H28 F6 I2 O8 S2 -","2","1","","Hinkle, Robert J.; Bredenkamp, Sarah E.; Pike, Robert D.; Cheon, Seong Ik","Electrophilic Cyclization of Phenylalkynediols to Naphthyl(aryl)iodonium Triflates with Chelating Hydroxyls: Preparation and X-ray Analyses.","The Journal of organic chemistry","2017","82","22","11781","11786","10.1021/acs.joc.7b01619","","","0.71073","MoKα","","0.0147","0.0142","","","0.038","0.0384","","","","","","0.974","","","","has coordinates","204823","2020-10-21","18:00:00",""
"4032831","9.9635","0.0004","10.1328","0.0004","11.7246","0.0004","91.875","0.001","111.958","0.001","112.635","0.001","991.46","0.07","100","2","100","2","","","","","","","","6","P -1","-P 1","2","","","","- C19 H16 F3 I O4 S -","- C19 H16 F3 I O4 S -","- C38 H32 F6 I2 O8 S2 -","2","1","","Hinkle, Robert J.; Bredenkamp, Sarah E.; Pike, Robert D.; Cheon, Seong Ik","Electrophilic Cyclization of Phenylalkynediols to Naphthyl(aryl)iodonium Triflates with Chelating Hydroxyls: Preparation and X-ray Analyses.","The Journal of organic chemistry","2017","82","22","11781","11786","10.1021/acs.joc.7b01619","","","0.71073","MoKα","","0.0149","0.0147","","","0.0427","0.0429","","","","","","1.039","","","","has coordinates","204823","2020-10-21","18:00:00",""
"4032832","9.9729","0.0005","10.6715","0.0005","12.206","0.0006","102.541","0.001","111.255","0.001","108.094","0.001","1068.12","0.09","100","2","100","2","","","","","","","","6","P -1","-P 1","2","","","","- C21 H20 F3 I O4 S -","- C21 H20 F3 I O4 S -","- C42 H40 F6 I2 O8 S2 -","2","1","","Hinkle, Robert J.; Bredenkamp, Sarah E.; Pike, Robert D.; Cheon, Seong Ik","Electrophilic Cyclization of Phenylalkynediols to Naphthyl(aryl)iodonium Triflates with Chelating Hydroxyls: Preparation and X-ray Analyses.","The Journal of organic chemistry","2017","82","22","11781","11786","10.1021/acs.joc.7b01619","","","0.71073","MoKα","","0.0189","0.0178","","","0.0441","0.0447","","","","","","1.08","","","","has coordinates","204823","2020-10-21","18:00:00",""
"4032833","14.6631","0.0015","6.8524","0.0007","23.29","0.002","90","","99.566","0.005","90","","2307.6","0.4","100","2","100","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C21 H14 F9 I O4 S -","- C21 H14 F9 I O4 S -","- C84 H56 F36 I4 O16 S4 -","4","1","","Hinkle, Robert J.; Bredenkamp, Sarah E.; Pike, Robert D.; Cheon, Seong Ik","Electrophilic Cyclization of Phenylalkynediols to Naphthyl(aryl)iodonium Triflates with Chelating Hydroxyls: Preparation and X-ray Analyses.","The Journal of organic chemistry","2017","82","22","11781","11786","10.1021/acs.joc.7b01619","","","1.54178","CuKα","","0.0524","0.0495","","","0.145","0.1477","","","","","","1.133","","","","has coordinates","204823","2020-10-21","18:00:00",""
"4032834","7.1678","0.0009","10.6157","0.0014","14.7091","0.0019","84.423","0.011","85.186","0.011","77.35","0.011","1084.6","0.2","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C24 H16 N4 O4 S2 -","- C24 H16 N4 O4 S2 -","- C48 H32 N8 O8 S4 -","2","1","","Patra, Sumit Kumar; Sheet, Sanjoy Kumar; Sen, Bhaskar; Aguan, Kripamoy; Roy, Debesh Ranjan; Khatua, Snehadrinarayan","Highly Sensitive Bifunctional Probe for Colorimetric Cyanide and Fluorometric H2S Detection and Bioimaging: Spontaneous Resolution, Aggregation, and Multicolor Fluorescence of Bisulfide Adduct.","The Journal of organic chemistry","2017","82","19","10234","10246","10.1021/acs.joc.7b01743","","","0.71073","MoKα","","0.141","0.1072","","","0.2896","0.3227","","","","","","1.093","","","","has coordinates,has disorder","202689","2020-10-21","18:00:00",""
"4032835","10.81","0.0008","14.1314","0.0016","8.1358","0.0006","90","","90","","90","","1242.83","0.19","293","2","293","2","","","","","","","","5","P c a 21","P 2c -2ac","29","","","","- C12 H10 N2 O2 S2 -","- C12 H10 N2 O2 S2 -","- C48 H40 N8 O8 S8 -","4","1","","Patra, Sumit Kumar; Sheet, Sanjoy Kumar; Sen, Bhaskar; Aguan, Kripamoy; Roy, Debesh Ranjan; Khatua, Snehadrinarayan","Highly Sensitive Bifunctional Probe for Colorimetric Cyanide and Fluorometric H2S Detection and Bioimaging: Spontaneous Resolution, Aggregation, and Multicolor Fluorescence of Bisulfide Adduct.","The Journal of organic chemistry","2017","82","19","10234","10246","10.1021/acs.joc.7b01743","","","0.71073","MoKα","","0.0375","0.0325","","","0.0865","0.0909","","","","","","1.067","","","","has coordinates","202689","2020-10-21","18:00:00",""
"4032836","30.731","0.002","29.5041","0.0019","11.0727","0.0007","90","","95.596","0.002","90","","9991.7","1.1","273","2","273.15","","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C52 N4 O4 -","- C52 N4 O4 -","- C416 N32 O32 -","8","2","","Vlasceanu, Alexandru; Frandsen, Benjamin N.; Skov, Anders B.; Hansen, Anne Schou; Rasmussen, Mads Georg; Kjaergaard, Henrik G.; Mikkelsen, Kurt V.; Nielsen, Mogens Brøndsted","Photoswitchable Dihydroazulene Macrocycles for Solar Energy Storage: The Effects of Ring Strain.","The Journal of organic chemistry","2017","82","19","10398","10407","10.1021/acs.joc.7b01760","","","0.71073","MoKα","","0.1633","0.1141","","","0.3001","0.3345","","","","","","1.0989","","","","has coordinates","253039","2020-10-21","18:00:00",""
"4032837","10.9966","0.0016","11.7042","0.0016","17.918","0.003","74.512","0.004","86.687","0.004","86.239","0.004","2215.7","0.6","273","2","273.15","","","","","","","","","3","P -1","-P 1","2","","","","- C56 N4 O4 -","- C56 N4 O4 -","- C112 N8 O8 -","2","1","","Vlasceanu, Alexandru; Frandsen, Benjamin N.; Skov, Anders B.; Hansen, Anne Schou; Rasmussen, Mads Georg; Kjaergaard, Henrik G.; Mikkelsen, Kurt V.; Nielsen, Mogens Brøndsted","Photoswitchable Dihydroazulene Macrocycles for Solar Energy Storage: The Effects of Ring Strain.","The Journal of organic chemistry","2017","82","19","10398","10407","10.1021/acs.joc.7b01760","","","0.71073","MoKα","","0.1358","0.0982","","","0.2689","0.3129","","","","","","1.0882","","","","has coordinates,has disorder","202692","2020-10-21","18:00:00",""
"4032838","9.3519","0.0019","9.4398","0.0019","11.185","0.002","95.51","0.004","114.285","0.004","101.901","0.004","862.4","0.3","293","2","293","2","","","","","","","","4","P -1","-P 1","2","","","","- C24 H13 Br F2 -","- C24 H13 Br F2 -","- C48 H26 Br2 F4 -","2","1","","Sun, Ning; Chen, Haoyi; Li, Xiangdong; Xu, Murong; Gan, Yi; Zhang, Liangwei; Liu, Yuanhong","PBr3-Mediated Cyclization of 1,7-Diyn-3,6-bis(propargyl carbonate)s: Synthesis of 5-Bromotetracenes.","The Journal of organic chemistry","2017","82","19","10051","10061","10.1021/acs.joc.7b01519","","","0.71073","MoKα","","0.0447","0.0347","","","0.0891","0.0942","","","","","","1.032","","","","has coordinates","202695","2020-10-21","18:00:00",""
"4032839","11.5087","0.0018","12.063","0.0018","13.724","0.002","94.057","0.003","96.328","0.003","118.373","0.003","1649.6","0.4","293","2","293","2","","","","","","","","4","P -1","-P 1","2","","","","- C22 H13 Br S -","- C22 H13 Br S -","- C88 H52 Br4 S4 -","4","2","","Sun, Ning; Chen, Haoyi; Li, Xiangdong; Xu, Murong; Gan, Yi; Zhang, Liangwei; Liu, Yuanhong","PBr3-Mediated Cyclization of 1,7-Diyn-3,6-bis(propargyl carbonate)s: Synthesis of 5-Bromotetracenes.","The Journal of organic chemistry","2017","82","19","10051","10061","10.1021/acs.joc.7b01519","","","0.71073","MoKα","","0.0688","0.0455","","","0.1103","0.1216","","","","","","0.99","","","","has coordinates","202695","2020-10-21","18:00:00",""
"4032840","7.0234","0.0003","26.33","0.0009","7.4708","0.0003","90","","90.907","0.004","90","","1381.37","0.09","173","2","173.15","","","","","","","","","3","P 1 21 1","P 2yb","4","","","","- C18 H16 O2 -","- C18 H16 O2 -","- C72 H64 O8 -","4","2","","Zhou, Bo; Li, Long; Liu, Xin; Tan, Tong-De; Liu, Jinxian; Ye, Long-Wu","Yttrium-Catalyzed Tandem Intermolecular Hydroalkoxylation/Claisen Rearrangement.","The Journal of organic chemistry","2017","82","19","10149","10157","10.1021/acs.joc.7b01612","","x-ray","1.54184","CuKα","","0.0514","0.0435","","","0.0931","0.1007","","","","","","1.016","","","","has coordinates","202710","2020-10-21","18:00:00",""
"4032841","4.5484","0.0004","12.7871","0.0012","13.9287","0.0014","115.468","0.009","91.873","0.007","97.603","0.007","721.31","0.13","173","2","173","2","","","","","","","","4","P -1","-P 1","2","","","","- C19 H14 N2 O2 -","- C19 H14 N2 O2 -","- C38 H28 N4 O4 -","2","1","","Li, Ting; Fu, Chen; Ma, Qinge; Sang, Zhipei; Yang, Yuhan; Yang, Hao; Lv, Rongrong; Li, Bo","Cobalt/Copper-Cocatalyzed Synthesis of Imidazo[1,2-a:3,4-a']dipyridiniums from 2H-[1,2'-Bipyridin]-2-ones and 2-Bromoacetophenones.","The Journal of organic chemistry","2017","82","19","10263","10270","10.1021/acs.joc.7b01742","","","0.71073","MoKα","","0.1193","0.0639","","","0.1533","0.1965","","","","","","0.922","","","","has coordinates","202686","2020-10-21","18:00:00",""
"4032842","11.8025","0.0007","20.7261","0.0013","24.3022","0.0015","90","","99.226","0.002","90","","5867.9","0.6","150","2","150","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C55 H68 N7 O24 -","- C55 H68 N7 O24 -","- C220 H272 N28 O96 -","4","1","","Chakraborty, Sourav; Saha, Subrata; Lima, Luís M P; Warzok, Ulrike; Sarkar, Sayan; Akhuli, Bidyut; Nandi, Mandira; Bej, Somnath; Adarsh, Nayarassery N.; Schalley, Christoph A.; Delgado, Rita; Ghosh, Pradyut","Polyamide-Polyamine Cryptand as Dicarboxylate Receptor: Dianion Binding Studies in the Solid State, in Solution, and in the Gas Phase.","The Journal of organic chemistry","2017","82","19","10007","10014","10.1021/acs.joc.7b01431","","","0.71073","MoKα","","0.0981","0.0587","","","0.1646","0.21","","","","","","1.029","","","","has coordinates","202704","2020-10-21","18:00:00",""
"4032843","38.167","0.005","16.311","0.002","20.656","0.003","90","","109.581","0.004","90","","12116","3","150","2","150","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C55 H69 N7 O24 -","- C55 H69 N7 O24 -","- C440 H552 N56 O192 -","8","1","","Chakraborty, Sourav; Saha, Subrata; Lima, Luís M P; Warzok, Ulrike; Sarkar, Sayan; Akhuli, Bidyut; Nandi, Mandira; Bej, Somnath; Adarsh, Nayarassery N.; Schalley, Christoph A.; Delgado, Rita; Ghosh, Pradyut","Polyamide-Polyamine Cryptand as Dicarboxylate Receptor: Dianion Binding Studies in the Solid State, in Solution, and in the Gas Phase.","The Journal of organic chemistry","2017","82","19","10007","10014","10.1021/acs.joc.7b01431","","","0.71073","MoKα","","0.1299","0.0753","","","0.1969","0.2219","","","","","","1.024","","","","has coordinates,has disorder","202704","2020-10-21","18:00:00",""
"4032844","19.851","0.003","14.2576","0.0019","23.979","0.003","90","","101.033","0.003","90","","6661.3","1.6","150","2","150","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C54 H72 N7 O29 -","- C54 H72 N7 O29 -","- C216 H288 N28 O116 -","4","1","","Chakraborty, Sourav; Saha, Subrata; Lima, Luís M P; Warzok, Ulrike; Sarkar, Sayan; Akhuli, Bidyut; Nandi, Mandira; Bej, Somnath; Adarsh, Nayarassery N.; Schalley, Christoph A.; Delgado, Rita; Ghosh, Pradyut","Polyamide-Polyamine Cryptand as Dicarboxylate Receptor: Dianion Binding Studies in the Solid State, in Solution, and in the Gas Phase.","The Journal of organic chemistry","2017","82","19","10007","10014","10.1021/acs.joc.7b01431","","","0.71073","MoKα","","0.1357","0.09","","","0.2396","0.2672","","","","","","1.088","","","","has coordinates","202704","2020-10-21","18:00:00",""
"4032845","12.0232","0.0016","14.837","0.002","21.708","0.003","100.853","0.004","94.193","0.004","107.65","0.004","3588.9","0.8","150","2","150","2","","","","","","","","4","P -1","-P 1","2","PIM","PIM","","- C60 H85 N7 O24 -","- C60 H84 N7 O24 -","- C120 H168 N14 O48 -","2","1","","Chakraborty, Sourav; Saha, Subrata; Lima, Luís M P; Warzok, Ulrike; Sarkar, Sayan; Akhuli, Bidyut; Nandi, Mandira; Bej, Somnath; Adarsh, Nayarassery N.; Schalley, Christoph A.; Delgado, Rita; Ghosh, Pradyut","Polyamide-Polyamine Cryptand as Dicarboxylate Receptor: Dianion Binding Studies in the Solid State, in Solution, and in the Gas Phase.","The Journal of organic chemistry","2017","82","19","10007","10014","10.1021/acs.joc.7b01431","","","0.71073","MoKα","","0.142","0.1178","","","0.3399","0.3754","","","","","","1.661","","","","has coordinates","202704","2020-10-21","18:00:00",""
"4032846","12.685","0.002","17.544","0.003","29.713","0.005","90","","104.402","0.007","90","","6404.7","1.8","150","2","150","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C62 H88 N7 O16 -","- C62 H88 N7 O16 -","- C248 H352 N28 O64 -","4","1","","Chakraborty, Sourav; Saha, Subrata; Lima, Luís M P; Warzok, Ulrike; Sarkar, Sayan; Akhuli, Bidyut; Nandi, Mandira; Bej, Somnath; Adarsh, Nayarassery N.; Schalley, Christoph A.; Delgado, Rita; Ghosh, Pradyut","Polyamide-Polyamine Cryptand as Dicarboxylate Receptor: Dianion Binding Studies in the Solid State, in Solution, and in the Gas Phase.","The Journal of organic chemistry","2017","82","19","10007","10014","10.1021/acs.joc.7b01431","","","0.71073","MoKα","","0.0901","0.062","","","0.1498","0.1664","","","","","","1.072","","","","has coordinates","202704","2020-10-21","18:00:00",""
"4032847","12.2639","0.0008","12.7251","0.0008","22.7496","0.0015","87.293","0.002","87.843","0.002","79.827","0.002","3489","0.4","150","2","150","2","","","","","","","","4","P -1","-P 1","2","","","","- C117 H126 N14 O52 -","- C117 H126 N14 O52 -","- C117 H126 N14 O52 -","1","0.5","","Chakraborty, Sourav; Saha, Subrata; Lima, Luís M P; Warzok, Ulrike; Sarkar, Sayan; Akhuli, Bidyut; Nandi, Mandira; Bej, Somnath; Adarsh, Nayarassery N.; Schalley, Christoph A.; Delgado, Rita; Ghosh, Pradyut","Polyamide-Polyamine Cryptand as Dicarboxylate Receptor: Dianion Binding Studies in the Solid State, in Solution, and in the Gas Phase.","The Journal of organic chemistry","2017","82","19","10007","10014","10.1021/acs.joc.7b01431","","","0.71073","MoKα","","0.1367","0.1078","","","0.3369","0.3703","","","","","","1.463","","","","has coordinates,has disorder","202704","2020-10-21","18:00:00",""
"4032848","16.957","0.003","7.7224","0.0015","18.204","0.004","90","","90","","90","","2383.8","0.8","153.15","","153.15","","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C16 H12 N2 O -","- C16 H12 N2 O -","- C128 H96 N16 O8 -","8","1","","Wang, Xiaoxia; Li, Na; Li, Zhongfeng; Rao, Honghua","Copper-Catalyzed Dehydrogenative C(sp(2))-N Bond Formation via Direct Oxidative Activation of an Anilidic N-H Bond: Synthesis of Benzoimidazo[1,2-a]indoles.","The Journal of organic chemistry","2017","82","19","10158","10166","10.1021/acs.joc.7b01617","","","0.71073","MoKα","","0.0966","0.0801","","","0.1663","0.1864","","","","","","1.209","","","","has coordinates","202677","2020-10-21","18:00:00",""
"4032849","7.3223","0.0013","5.9112","0.0009","16.224","0.005","90","","93.79","0.02","90","","700.7","0.3","291.13","0.1","291.13","0.1","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C15 H16 O3 S -","- C15 H16 O3 S -","- C30 H32 O6 S2 -","2","1","","Wang, Yajun; Jiang, Wei; Huo, Congde","One-Pot Synthesis of β-Hydroxysulfones and Its Application in the Preparation of Anticancer Drug Bicalutamide.","The Journal of organic chemistry","2017","82","19","10628","10634","10.1021/acs.joc.7b01371","","x-ray","0.71073","MoKα","","0.315","0.1057","","","0.13","0.216","","","","","","0.979","","","","has coordinates","202673","2020-10-21","18:00:00",""
"4032850","9.4351","0.0007","5.8009","0.0003","13.4209","0.0014","90","","103.224","0.01","90","","715.08","0.1","289.6","0.2","289.6","0.2","","","","","","","","4","P 1 n 1","P -2yac","7","","","","- C15 H16 O4 S -","- C15 H16 O4 S -","- C30 H32 O8 S2 -","2","1","","Wang, Yajun; Jiang, Wei; Huo, Congde","One-Pot Synthesis of β-Hydroxysulfones and Its Application in the Preparation of Anticancer Drug Bicalutamide.","The Journal of organic chemistry","2017","82","19","10628","10634","10.1021/acs.joc.7b01371","","","0.71073","MoKα","","0.0873","0.0557","","","0.0817","0.0985","","","","","","1.045","","","","has coordinates","202673","2020-10-21","18:00:00",""
"4032851","5.9265","0.0003","11.8003","0.0006","10.0928","0.0006","90","","98.24","0.006","90","","698.55","0.07","100","0.1","100","0.1","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C14 H16 F3 N O3 -","- C14 H16 F3 N O3 -","- C28 H32 F6 N2 O6 -","2","1","","Dolfen, Jeroen; Boydas, Esma Birsen; Van Speybroeck, Veronique; Catak, Saron; Van Hecke, Kristof; D'hooghe, Matthias","Asymmetric Synthesis of 3,4-Disubstituted 2-(Trifluoromethyl)pyrrolidines through Rearrangement of Chiral 2-(2,2,2-Trifluoro-1-hydroxyethyl)azetidines.","The Journal of organic chemistry","2017","82","19","10092","10109","10.1021/acs.joc.7b01241","","x-ray","1.54184","CuKα","","0.0497","0.0436","","","0.1134","0.1192","","","","","","1.062","","","","has coordinates","202703","2020-10-21","18:00:00",""
"4032852","5.7347","0.00007","12.45975","0.00015","20.4676","0.0003","90","","90","","90","","1462.47","0.03","100","0.1","100","0.1","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C15 H18 F3 N O3 -","- C15 H18 F3 N O3 -","- C60 H72 F12 N4 O12 -","4","1","","Dolfen, Jeroen; Boydas, Esma Birsen; Van Speybroeck, Veronique; Catak, Saron; Van Hecke, Kristof; D'hooghe, Matthias","Asymmetric Synthesis of 3,4-Disubstituted 2-(Trifluoromethyl)pyrrolidines through Rearrangement of Chiral 2-(2,2,2-Trifluoro-1-hydroxyethyl)azetidines.","The Journal of organic chemistry","2017","82","19","10092","10109","10.1021/acs.joc.7b01241","","x-ray","1.54184","CuKα","","0.0376","0.0369","","","0.0979","0.0989","","","","","","1.063","","","","has coordinates","202703","2020-10-21","18:00:00",""
"4032853","27.2782","0.0005","27.2782","0.0005","10.61163","0.00018","90","","90","","120","","6838.2","0.2","100","0.1","100","0.1","","","","","","","","5","R 3","R 3","146","","","","- C14 H18 F3 N O2 -","- C14 H18 F3 N O2 -","- C252 H324 F54 N18 O36 -","18","","","Dolfen, Jeroen; Boydas, Esma Birsen; Van Speybroeck, Veronique; Catak, Saron; Van Hecke, Kristof; D'hooghe, Matthias","Asymmetric Synthesis of 3,4-Disubstituted 2-(Trifluoromethyl)pyrrolidines through Rearrangement of Chiral 2-(2,2,2-Trifluoro-1-hydroxyethyl)azetidines.","The Journal of organic chemistry","2017","82","19","10092","10109","10.1021/acs.joc.7b01241","","x-ray","1.54184","CuKα","","0.0911","0.0826","","","0.2245","0.2364","","","","","","1.064","","","","has coordinates,has disorder","202703","2020-10-21","18:00:00",""
"4032854","9.9857","0.0006","14.0575","0.0007","11.098","0.0006","90","","109.932","0.007","90","","1464.55","0.15","100","0.1","100","0.1","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C14 H18 F3 N O2 -","- C14 H18 F3 N O2 -","- C56 H72 F12 N4 O8 -","4","2","","Dolfen, Jeroen; Boydas, Esma Birsen; Van Speybroeck, Veronique; Catak, Saron; Van Hecke, Kristof; D'hooghe, Matthias","Asymmetric Synthesis of 3,4-Disubstituted 2-(Trifluoromethyl)pyrrolidines through Rearrangement of Chiral 2-(2,2,2-Trifluoro-1-hydroxyethyl)azetidines.","The Journal of organic chemistry","2017","82","19","10092","10109","10.1021/acs.joc.7b01241","","x-ray","1.54184","CuKα","","0.0619","0.0524","","","0.1372","0.1522","","","","","","1.05","","","","has coordinates","202703","2020-10-21","18:00:00",""
"4032855","9.5853","0.00014","10.83863","0.00013","20.3107","0.0002","90","","90","","90","","2110.11","0.04","100","0.1","100","0.1","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C25 H25 F3 N2 O -","- C25 H25 F3 N2 O -","- C100 H100 F12 N8 O4 -","4","1","","Dolfen, Jeroen; Boydas, Esma Birsen; Van Speybroeck, Veronique; Catak, Saron; Van Hecke, Kristof; D'hooghe, Matthias","Asymmetric Synthesis of 3,4-Disubstituted 2-(Trifluoromethyl)pyrrolidines through Rearrangement of Chiral 2-(2,2,2-Trifluoro-1-hydroxyethyl)azetidines.","The Journal of organic chemistry","2017","82","19","10092","10109","10.1021/acs.joc.7b01241","","x-ray","1.54184","CuKα","","0.0523","0.0449","","","0.1081","0.1155","","","","","","1.047","","","","has coordinates","202703","2020-10-21","18:00:00",""
"4032856","11.2751","0.0003","9.9229","0.0003","20.6082","0.0007","90","","101.993","0.0016","90","","2255.36","0.12","150","","150","","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C26 H24 N2 O5 -","- C26 H24 N2 O5 -","- C104 H96 N8 O20 -","4","1","","Brambilla, Marta; Brennan, Méabh B; Csatayová, Kristína; Davies, Stephen G.; Fletcher, Ai M.; Kennett, Alice M. R.; Lee, James A.; Roberts, Paul M.; Russell, Angela J.; Thomson, James E.","Probing Competitive and Co-operative Hydroxyl and Ammonium Hydrogen-Bonding Directed Epoxidations.","The Journal of organic chemistry","2017","82","19","10297","10309","10.1021/acs.joc.7b01774","","","0.71073","MoKα","","0.1321","0.0561","","0.1053","0.0668","0.0711","","","","","","1.1","","","","has coordinates","202698","2020-10-21","18:00:00",""
"4032857","5.13742","0.00016","9.0247","0.0003","13.0607","0.0005","90","","94.461","0.003","90","","603.71","0.04","150","","150","","","","","","","","","4","P 1 n 1","P -2yac","7","","","","- C14 H19 N O -","- C14 H19 N O -","- C28 H38 N2 O2 -","2","1","","Brambilla, Marta; Brennan, Méabh B; Csatayová, Kristína; Davies, Stephen G.; Fletcher, Ai M.; Kennett, Alice M. R.; Lee, James A.; Roberts, Paul M.; Russell, Angela J.; Thomson, James E.","Probing Competitive and Co-operative Hydroxyl and Ammonium Hydrogen-Bonding Directed Epoxidations.","The Journal of organic chemistry","2017","82","19","10297","10309","10.1021/acs.joc.7b01774","","","1.54184","CuKα","","0.0278","0.0273","","0.0691","0.0686","0.0691","","","","","","1.0091","","","","has coordinates","202698","2020-10-21","18:00:00",""
"4032858","6.738","0.0002","9.4072","0.0003","19.3817","0.0008","99.2201","0.0014","98.4462","0.0014","95.3839","0.0018","1190.8","0.07","150","","150","","","","","","","","","4","P -1","-P 1","2","","","","- C28 H28 N2 O5 -","- C28 H28 N2 O5 -","- C56 H56 N4 O10 -","2","1","","Brambilla, Marta; Brennan, Méabh B; Csatayová, Kristína; Davies, Stephen G.; Fletcher, Ai M.; Kennett, Alice M. R.; Lee, James A.; Roberts, Paul M.; Russell, Angela J.; Thomson, James E.","Probing Competitive and Co-operative Hydroxyl and Ammonium Hydrogen-Bonding Directed Epoxidations.","The Journal of organic chemistry","2017","82","19","10297","10309","10.1021/acs.joc.7b01774","","","0.71073","MoKα","","0.0815","0.0656","","0.0871","0.0729","0.0707","","","","","","1.1205","","","","has coordinates","202698","2020-10-21","18:00:00",""
"4032859","14.5382","0.0002","10.7629","0.0002","22.8787","0.0004","90","","103.72","0.0008","90","","3477.76","0.1","150","","150","","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C21 H25 N O2 -","- C21 H25 N O2 -","- C168 H200 N8 O16 -","8","1","","Brambilla, Marta; Brennan, Méabh B; Csatayová, Kristína; Davies, Stephen G.; Fletcher, Ai M.; Kennett, Alice M. R.; Lee, James A.; Roberts, Paul M.; Russell, Angela J.; Thomson, James E.","Probing Competitive and Co-operative Hydroxyl and Ammonium Hydrogen-Bonding Directed Epoxidations.","The Journal of organic chemistry","2017","82","19","10297","10309","10.1021/acs.joc.7b01774","","","0.71073","MoKα","","0.0604","0.0396","","0.0903","0.0825","0.0903","","","","","","0.9674","","","","has coordinates","202698","2020-10-21","18:00:00",""
"4032860","6.85883","0.00014","8.78905","0.00014","13.309","0.0002","98.1952","0.0012","100.839","0.001","92.0569","0.0007","778.32","0.02","296","2","296","2","","","","","","","","4","P -1","-P 1","2","YWS-267-2","","","- C17 H18 N2 O3 -","- C17 H18 N2 O3 -","- C34 H36 N4 O6 -","2","1","","Park, Sangjune; Kim, Hyunseok; Son, Jeong-Yu; Um, Kyusik; Lee, Sooho; Baek, Yonghyeon; Seo, Boram; Lee, Phil Ho","Synthesis of Imidazopyridines via Copper-Catalyzed, Formal Aza-[3 + 2] Cycloaddition Reaction of Pyridine Derivatives with α-Diazo Oxime Ethers.","The Journal of organic chemistry","2017","82","19","10209","10218","10.1021/acs.joc.7b01714","","","0.71073","","","0.1088","0.0601","","","0.1498","0.178","","","","","","1.041","","","","has coordinates","202700","2020-10-21","18:00:00",""
"4032861","10.4633","0.0002","52.1683","0.0012","9.0153","0.0002","90","","105.651","0.0012","90","","4738.57","0.18","296","2","296","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","PSJ-2510-up","","","- C17 H13 F3 N2 O2 -","- C17 H13 F3 N2 O2 -","- C204 H156 F36 N24 O24 -","12","3","","Park, Sangjune; Kim, Hyunseok; Son, Jeong-Yu; Um, Kyusik; Lee, Sooho; Baek, Yonghyeon; Seo, Boram; Lee, Phil Ho","Synthesis of Imidazopyridines via Copper-Catalyzed, Formal Aza-[3 + 2] Cycloaddition Reaction of Pyridine Derivatives with α-Diazo Oxime Ethers.","The Journal of organic chemistry","2017","82","19","10209","10218","10.1021/acs.joc.7b01714","","","0.71073","","","0.1725","0.0963","","","0.1424","0.1668","","","","","","1.085","","","","has coordinates","202700","2020-10-21","18:00:00",""
"4032862","8.981","0.0006","9.1535","0.0005","20.8614","0.0014","90","","90","","90","","1714.97","0.19","294","2","294","2","","","","","","","","7","P 21 21 21","P 2ac 2ab","19","","","","- C17 H15 Br F N O3 S -","- C17 H15 Br F N O3 S -","- C68 H60 Br4 F4 N4 O12 S4 -","4","1","","Chen, Jiteng; Zhao, Xiaoming; Dan, Wenyan","Diasteroselective and Enantioselective Ir-Catalyzed Allylic Substitutions of 1-Substituted 1-Fluoro-1-(arenesulfonyl)methylene Derivatives.","The Journal of organic chemistry","2017","82","19","10693","10698","10.1021/acs.joc.7b01782","","","0.71073","MoKα","","0.0435","0.0344","","","0.0878","0.0939","","","","","","1.035","","","","has coordinates","202701","2020-10-21","18:00:00",""
"4032863","8.5286","0.0004","10.1752","0.0004","21.0585","0.0007","90","","90","","90","","1827.46","0.13","296","2","296","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C18 H16 Br F O4 S -","- C18 H16 Br F O4 S -","- C72 H64 Br4 F4 O16 S4 -","4","1","","Chen, Jiteng; Zhao, Xiaoming; Dan, Wenyan","Diasteroselective and Enantioselective Ir-Catalyzed Allylic Substitutions of 1-Substituted 1-Fluoro-1-(arenesulfonyl)methylene Derivatives.","The Journal of organic chemistry","2017","82","19","10693","10698","10.1021/acs.joc.7b01782","","","0.71073","MoKα","","0.037","0.0289","","","0.0616","0.064","","","","","","1.061","","","","has coordinates","202701","2020-10-21","18:00:00",""
"4032864","11.8453","0.0011","12.0707","0.0012","12.4256","0.0012","88.758","0.002","71.129","0.001","73.239","0.001","1604.7","0.3","298","2","298","2","","","","","","","","3","P -1","-P 1","2","","","","- C40 H40 N2 -","- C40 H40 N2 -","- C80 H80 N4 -","2","1","","Feng, Ruokun; Ning, Hanqi; Su, Han; Gao, Yuan; Yin, Haotian; Wang, Yudan; Yang, Zhen; Qi, Chenze","Selective Synthesis of Alkynylated Isoquinolines and Biisoquinolines via Rh(III) Catalyzed C-H Activation/1,3-Diyne Strategy.","The Journal of organic chemistry","2017","82","19","10408","10417","10.1021/acs.joc.7b01867","","","0.71073","MoKα","","0.1279","0.0558","","","0.1281","0.1554","","","","","","0.84","","","","has coordinates,has disorder","202711","2020-10-21","18:00:00",""
"4032865","8.4609","0.0007","12.4431","0.0011","8.234","0.0008","90","","99.375","0.002","90","","855.3","0.13","298","2","298","2","","","","","","","","3","P 1 c 1","P -2yc","7","","","","- C24 H17 N -","- C24 H17 N -","- C48 H34 N2 -","2","1","","Feng, Ruokun; Ning, Hanqi; Su, Han; Gao, Yuan; Yin, Haotian; Wang, Yudan; Yang, Zhen; Qi, Chenze","Selective Synthesis of Alkynylated Isoquinolines and Biisoquinolines via Rh(III) Catalyzed C-H Activation/1,3-Diyne Strategy.","The Journal of organic chemistry","2017","82","19","10408","10417","10.1021/acs.joc.7b01867","","","0.71073","MoKα","","0.0831","0.0486","","","0.1286","0.1518","","","","","","1.008","","","","has coordinates","202711","2020-10-21","18:00:00",""
"4032866","9.1169","0.0019","10.066","0.002","13.129","0.003","90","","90","","90","","1204.9","0.4","173","2","173","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","(1'S,2'R,3'S,4'R)-3'-bromo-2',4'-dihydroxy-3',4'-dihydro-2'H,3H-spiro[furan-2,1'-naphthalen]-5(4H)-one","","","- C13 H13 Br O4 -","- C13 H13 Br O4 -","- C52 H52 Br4 O16 -","4","1","","Uyanik, Muhammet; Yasui, Takeshi; Ishihara, Kazuaki","Chiral Hypervalent Organoiodine-Catalyzed Enantioselective Oxidative Spirolactonization of Naphthol Derivatives.","The Journal of organic chemistry","2017","82","22","11946","11953","10.1021/acs.joc.7b01941","","","0.71073","MoKα","","0.0199","0.019","","","0.0456","0.0458","","","","","","1.02","","","","has coordinates","204822","2020-10-21","18:00:00",""
"4032867","9.1853","0.0012","18.882","0.002","13.3012","0.0017","89.973","0.002","92.232","0.002","90.086","0.002","2305.2","0.5","173","2","173","2","","","","","","","","4","P 1","P 1","1","(S)-3'-bromo-2'H,3H-spiro[furan-2,1'-naphthalene]-2',5(4H)-dione","","","- C13 H9 Br O3 -","- C13 H9 Br O3 -","- C104 H72 Br8 O24 -","8","8","","Uyanik, Muhammet; Yasui, Takeshi; Ishihara, Kazuaki","Chiral Hypervalent Organoiodine-Catalyzed Enantioselective Oxidative Spirolactonization of Naphthol Derivatives.","The Journal of organic chemistry","2017","82","22","11946","11953","10.1021/acs.joc.7b01941","","","0.71073","MoKα","","0.0365","0.0285","","","0.0622","0.0645","","","","","","0.912","","","","has coordinates","255262","2020-10-21","18:00:00",""
"4032868","21.23","0.03","4.782","0.007","16.45","0.03","90","","96.883","0.019","90","","1658","5","293","2","293","2","","","","","","","","4","C 1 2 1","C 2y","5","","","","- C19 H17 N O4 -","- C19 H17 N O4 -","- C76 H68 N4 O16 -","4","1","","Yang, Xing; Pang, Shuai; Cheng, Feng; Zhang, Yue; Lin, Ya-Wei; Yuan, Quan; Zhang, Fang-Lin; Huang, Yi-Yong","Enantioselective Synthesis of 1,3-Disubstituted 1,3-Dihydroisobenzofurans via a Cascade Allylboration/Oxo-Michael Reaction of o-Formyl Chalcones Catalyzed by a Chiral Phosphoric Acid.","The Journal of organic chemistry","2017","82","19","10388","10397","10.1021/acs.joc.7b01856","","","0.71073","MoKα","","0.175","0.0628","","","0.1323","0.1821","","","","","","0.952","","","","has coordinates","202694","2020-10-21","18:00:00",""
"4032869","6.01068","0.00012","50.8074","0.0009","10.7946","0.00019","90","","106.165","0.0004","90","","3166.19","0.1","223","","223","","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C35 H47 Br O5 -","- C35 H47 Br O5 -","- C140 H188 Br4 O20 -","4","2","","Kikuchi, Takashi; Horii, Yui; Maekawa, Yukina; Masumoto, Yuki; In, Yasuko; Tomoo, Koji; Sato, Hiroyasu; Yamano, Akihito; Yamada, Takeshi; Tanaka, Reiko","Pleurocins A and B: Unusual 11(9 →7)-abeo-Ergostanes and Eringiacetal B: A 13,14-seco-13,14-Epoxyergostane from Fruiting Bodies of Pleurotus eryngii and Their Inhibitory Effects on Nitric Oxide Production.","The Journal of organic chemistry","2017","82","19","10611","10616","10.1021/acs.joc.7b01259","","","1.54187","CuKα","","0.0895","0.0879","","","0.2491","0.2524","","","","","","1.049","","","","has coordinates","202708","2020-10-21","18:00:00",""
"4032870","4.714","0.0001","9.5506","0.0003","12.6537","0.0003","80.792","0.002","86.831","0.002","76.742","0.002","547.26","0.03","297","2","297","2","","","","","","","","3","P -1","-P 1","2","","","","- C10 H12 N8 -","- C10 H12 N8 -","- C20 H24 N16 -","2","1","","Ahmed, Basil M.; Rudell, Nicholas A.; Soto, Ixtlazihuatl; Mezei, Gellert","Reaction of Amines with Aldehydes and Ketones Revisited: Access To a Class of Non-Scorpionate Tris(pyrazolyl)methane and Related Ligands.","The Journal of organic chemistry","2017","82","19","10549","10562","10.1021/acs.joc.7b02070","","","0.71073","MoKα","","0.055","0.0395","","","0.1025","0.1228","","","","","","1.074","","","","has coordinates","202672","2020-10-21","18:00:00",""
"4032871","11.37","0.004","9.159","0.003","21.98","0.007","90","","102.338","0.011","90","","2236.1","1.3","173","2","173","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C26 H27 N O5 -","- C26 H27 N O5 -","- C104 H108 N4 O20 -","4","1","","Zhang, Jiayong; Cheng, Cheng; Wang, Dian; Miao, Zhiwei","Regio- and Diastereoselective Construction of Spirocyclopenteneoxindoles through Phosphine-Catalyzed [3 + 2] Annulation of Methyleneindolinone with Alkynoate Derivatives.","The Journal of organic chemistry","2017","82","19","10121","10128","10.1021/acs.joc.7b01582","","","1.54187","CuKα","","0.0415","0.0405","","","0.1147","0.1156","","","","","","1.078","","","","has coordinates","202682","2020-10-21","18:00:00",""
"4032872","5.14336","0.00016","16.7956","0.0005","18.7002","0.0006","90","","90","","90","","1615.43","0.09","110","2","110","","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C15 H23 N3 O3 -","- C15 H23 N3 O3 -","- C60 H92 N12 O12 -","4","1","","Moussodia, Ralph-Olivier; Romero, Eugénie; Wenger, Emmanuel; Jamart-Grégoire, Brigitte; Acherar, Samir","Self-Organization Ability of Chiral N(α)-Substituted, N(β)-Boc Protected α-Hydrazinoacetamides in the Crystal and Solution States.","The Journal of organic chemistry","2017","82","19","9937","9945","10.1021/acs.joc.7b01004","","","1.5418","CuKα","","0.0393","0.0352","","","0.0871","0.0905","","","","","","1.039","","","","has coordinates","202697","2020-10-21","18:00:00",""
"4032873","10.5287","0.0004","9.9246","0.0004","14.8794","0.0006","90","","104.141","0.002","90","","1507.68","0.1","100","2","100","","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C12 H25 N3 O3 -","- C12 H25 N3 O3 -","- C48 H100 N12 O12 -","4","2","","Moussodia, Ralph-Olivier; Romero, Eugénie; Wenger, Emmanuel; Jamart-Grégoire, Brigitte; Acherar, Samir","Self-Organization Ability of Chiral N(α)-Substituted, N(β)-Boc Protected α-Hydrazinoacetamides in the Crystal and Solution States.","The Journal of organic chemistry","2017","82","19","9937","9945","10.1021/acs.joc.7b01004","","x-ray","0.71073","MoKα","","0.0413","0.0355","","","0.0832","0.0869","","","","","","1.0526","","","","has coordinates","278046","2022-09-21","15:45:40",""
"4032874","9.787","0.005","12.007","0.005","27.226","0.005","90","","90","","90","","3199","2","100","","100","","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C12 H25 N3 O3 -","- C12 H25 N3 O3 -","- C96 H200 N24 O24 -","8","2","","Moussodia, Ralph-Olivier; Romero, Eugénie; Wenger, Emmanuel; Jamart-Grégoire, Brigitte; Acherar, Samir","Self-Organization Ability of Chiral N(α)-Substituted, N(β)-Boc Protected α-Hydrazinoacetamides in the Crystal and Solution States.","The Journal of organic chemistry","2017","82","19","9937","9945","10.1021/acs.joc.7b01004","","","1.5418","CuKα","","0.0402","0.0383","","","0.0965","0.0986","","","","","","1.0606","","","","has coordinates,has disorder","278046","2022-09-21","15:45:40",""
"4032875","13.1619","0.0008","13.8635","0.0004","8.2762","0.0003","90","","101.23","0.005","90","","1481.24","0.12","163","2","163","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C36 H29 Br N4 Ni -","- C36 H29 Br N4 Ni -","- C72 H58 Br2 N8 Ni2 -","2","0.5","","Kawashima, Hiroyuki; Hiroto, Satoru; Shinokubo, Hiroshi","Acid-Mediated Migration of Bromide in an Antiaromatic Porphyrinoid: Preparation of Two Regioisomeric Ni(II) Bromonorcorroles.","The Journal of organic chemistry","2017","82","19","10425","10432","10.1021/acs.joc.7b01899","","","0.71075","MoKα","","0.0727","0.0608","","","0.16","0.1702","","","","","","1.087","","","","has coordinates,has disorder","202706","2020-10-21","18:00:00",""
"4032876","12.6966","0.0003","27.8406","0.0007","8.1912","0.0002","90","","98.977","0.002","90","","2859.97","0.12","93","2","93","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C36 H29 Br N4 Ni -","- C36 H29 Br N4 Ni -","- C144 H116 Br4 N16 Ni4 -","4","1","","Kawashima, Hiroyuki; Hiroto, Satoru; Shinokubo, Hiroshi","Acid-Mediated Migration of Bromide in an Antiaromatic Porphyrinoid: Preparation of Two Regioisomeric Ni(II) Bromonorcorroles.","The Journal of organic chemistry","2017","82","19","10425","10432","10.1021/acs.joc.7b01899","","","0.71075","MoKα","","0.0491","0.0445","","","0.1288","0.1403","","","","","","1.272","","","","has coordinates,has disorder","202706","2020-10-21","18:00:00",""
"4032877","9.723","0.0004","25.4861","0.0011","15.9516","0.0005","90","","106.565","0.004","90","","3788.8","0.3","93","2","93","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C45 H41 Cl2 N5 Ni -","- C45 H41 Cl2 N5 Ni -","- C180 H164 Cl8 N20 Ni4 -","4","1","","Kawashima, Hiroyuki; Hiroto, Satoru; Shinokubo, Hiroshi","Acid-Mediated Migration of Bromide in an Antiaromatic Porphyrinoid: Preparation of Two Regioisomeric Ni(II) Bromonorcorroles.","The Journal of organic chemistry","2017","82","19","10425","10432","10.1021/acs.joc.7b01899","","","0.71073","MoKα","","0.0651","0.0531","","","0.1257","0.1347","","","","","","1.054","","","","has coordinates","202706","2020-10-21","18:00:00",""
"4032878","8.631","0.0004","6.1744","0.0003","20.4789","0.001","90","","101.241","0.001","90","","1070.41","0.09","293","","293","","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C28 H25 N O3 -","- C28 H25 N O3 -","- C56 H50 N2 O6 -","2","1","","Liu, Chao; Liu, Yan-Kai","Asymmetric Organocatalytic One-Pot, Two-Step Sequential Process to Synthesize Chiral Acetal-Containing Polycyclic Derivatives from Cyclic Hemiacetals and Enones.","The Journal of organic chemistry","2017","82","19","10450","10460","10.1021/acs.joc.7b01915","","","1.54184","CuKα","","0.0278","0.0277","","","0.0738","0.0739","","","","","","1.06","","","","has coordinates","202687","2020-10-21","18:00:00",""
"4032879","12.6744","0.0007","5.1327","0.0003","16.2796","0.0009","90","","110.498","0.002","90","","992","0.1","296.15","","296.15","","","","","","","","","3","P 1 21 1","P 2yb","4","","","","- C26 H26 O2 -","- C26 H26 O2 -","- C52 H52 O4 -","2","1","","Liu, Chao; Liu, Yan-Kai","Asymmetric Organocatalytic One-Pot, Two-Step Sequential Process to Synthesize Chiral Acetal-Containing Polycyclic Derivatives from Cyclic Hemiacetals and Enones.","The Journal of organic chemistry","2017","82","19","10450","10460","10.1021/acs.joc.7b01915","","","1.54184","CuKα","","0.0274","0.0271","","","0.0711","0.0714","","","","","","1.034","","","","has coordinates","202687","2020-10-21","18:00:00",""
"4032880","5.7218","0.0005","14.0188","0.0012","24.109","0.002","90","","90","","90","","1933.8","0.3","273.15","","273.15","","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C26 H20 O3 -","- C26 H20 O3 -","- C104 H80 O12 -","4","1","","Liu, Chao; Liu, Yan-Kai","Asymmetric Organocatalytic One-Pot, Two-Step Sequential Process to Synthesize Chiral Acetal-Containing Polycyclic Derivatives from Cyclic Hemiacetals and Enones.","The Journal of organic chemistry","2017","82","19","10450","10460","10.1021/acs.joc.7b01915","","","1.54178","CuKα","","0.0297","0.0294","","","0.0778","0.078","","","","","","1.103","","","","has coordinates","202687","2020-10-21","18:00:00",""
"4032881","21.309","0.003","23.961","0.003","13.3093","0.0019","90","","121.45","0.002","90","","5797.2","1.4","298","2","298","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C60 H62 B F2 N3 O8 -","- C60 H62 B F2 N3 O8 -","- C240 H248 B4 F8 N12 O32 -","4","0.5","","Sheng, Wanle; Cui, Jiuen; Ruan, Zheng; Yan, Lifeng; Wu, Qinghua; Yu, Changjiang; Wei, Yun; Hao, Erhong; Jiao, Lijuan","[a]-Phenanthrene-Fused BF2 Azadipyrromethene (AzaBODIPY) Dyes as Bright Near-Infrared Fluorophores.","The Journal of organic chemistry","2017","82","19","10341","10349","10.1021/acs.joc.7b01803","","","0.71073","MoKα","","0.0853","0.0591","","","0.173","0.1908","","","","","","1.08","","","","has coordinates,has disorder","202702","2020-10-21","18:00:00",""
"4032882","21.3351","0.0017","25.306","0.002","13.0491","0.001","90","","116.512","0.001","90","","6304.4","0.9","293","2","293","2","","","","","","","","7","C 1 2/c 1","-C 2yc","15","","","","- C60 H60 B Br2 F2 N3 O8 -","- C60 H60 B Br2 F2 N3 O8 -","- C240 H240 B4 Br8 F8 N12 O32 -","4","0.5","","Sheng, Wanle; Cui, Jiuen; Ruan, Zheng; Yan, Lifeng; Wu, Qinghua; Yu, Changjiang; Wei, Yun; Hao, Erhong; Jiao, Lijuan","[a]-Phenanthrene-Fused BF2 Azadipyrromethene (AzaBODIPY) Dyes as Bright Near-Infrared Fluorophores.","The Journal of organic chemistry","2017","82","19","10341","10349","10.1021/acs.joc.7b01803","","","0.71073","MoKα","","0.078","0.0478","","","0.1271","0.1366","","","","","","1.076","","","","has coordinates","202702","2020-10-21","18:00:00",""
"4032883","12.386","0.002","14.229","0.003","16.434","0.003","104.736","0.002","98.092","0.003","97.797","0.003","2728.3","0.9","293","2","293","2","","","","","","","","6","P -1","-P 1","2","","","","- C60 H58 B F2 N3 O8 -","- C60 H58 B F2 N3 O8 -","- C120 H116 B2 F4 N6 O16 -","2","1","","Sheng, Wanle; Cui, Jiuen; Ruan, Zheng; Yan, Lifeng; Wu, Qinghua; Yu, Changjiang; Wei, Yun; Hao, Erhong; Jiao, Lijuan","[a]-Phenanthrene-Fused BF2 Azadipyrromethene (AzaBODIPY) Dyes as Bright Near-Infrared Fluorophores.","The Journal of organic chemistry","2017","82","19","10341","10349","10.1021/acs.joc.7b01803","","","0.71073","MoKα","","0.1179","0.0743","","","0.2325","0.2555","","","","","","0.986","","","","has coordinates,has disorder","202702","2020-10-21","18:00:00",""
"4032884","11.7012","0.0015","11.9793","0.0015","20.493","0.003","90.244","0.002","90.127","0.002","116.904","0.002","2561.6","0.6","293","2","293","2","","","","","","","","6","P -1","-P 1","2","","","","- C54 H48 B F2 N3 O2 -","- C54 H48 B F2 N3 O2 -","- C108 H96 B2 F4 N6 O4 -","2","1","","Sheng, Wanle; Cui, Jiuen; Ruan, Zheng; Yan, Lifeng; Wu, Qinghua; Yu, Changjiang; Wei, Yun; Hao, Erhong; Jiao, Lijuan","[a]-Phenanthrene-Fused BF2 Azadipyrromethene (AzaBODIPY) Dyes as Bright Near-Infrared Fluorophores.","The Journal of organic chemistry","2017","82","19","10341","10349","10.1021/acs.joc.7b01803","","","0.71073","MoKα","","0.1421","0.078","","","0.2205","0.2435","","","","","","1.083","","","","has coordinates","202702","2020-10-21","18:00:00",""
"4032885","21.2312","0.0006","7.2323","0.0002","22.3298","0.0007","90","","90","","90","","3428.75","0.17","150","2","150","2","","","","","","","","3","P b c a","-P 2ac 2ab","61","","","","- C24 H19 N -","- C24 H19 N -","- C192 H152 N8 -","8","1","","Stivanin, Mateus L.; Duarte, Marcelo; Sartori, Camila; Capreti, Naylil M. R.; Angolini, Celio F. F.; Jurberg, Igor D.","An Aminocatalyzed Michael Addition/Iron-Mediated Decarboxylative Cyclization Sequence for the Preparation of 2,3,4,6-Tetrasubstituted Pyridines: Scope and Mechanistic Insights.","The Journal of organic chemistry","2017","82","19","10319","10330","10.1021/acs.joc.7b01789","","","1.54178","CuKα","","0.0558","0.0474","","","0.1315","0.139","","","","","","1.03","","","","has coordinates","202705","2020-10-21","18:00:00",""
"4032886","11.812","0.006","6.112","0.003","14.148","0.008","90","","105.405","0.006","90","","984.7","0.9","296","2","296","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C19 H24 N2 O5 S -","- C19 H24 N2 O5 S -","- C38 H48 N4 O10 S2 -","2","1","","Huang, Wei; Liu, Hui; Xu, Yan-Jun; Lu, Chong-Dao","Reaction of Silyllithium, α-Keto N-tert-Butanesulfinyl Imidates and Aldehydes for Asymmetric Synthesis of α-Substituted β-(Silyloxy)-α-hydroxy Acid Derivatives.","The Journal of organic chemistry","2017","82","19","10748","10755","10.1021/acs.joc.7b02214","","","0.71073","MoKα","","0.0486","0.0396","","","0.095","0.1017","","","","","","1.033","","","","has coordinates","202707","2020-10-21","18:00:00",""
"4032887","6.734","0.007","18.45","0.019","12.022","0.012","90","","98.661","0.015","90","","1477","3","296","2","296","2","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C29 H37 N O5 S Si -","- C29 H37 N O5 S Si -","- C58 H74 N2 O10 S2 Si2 -","2","1","","Huang, Wei; Liu, Hui; Xu, Yan-Jun; Lu, Chong-Dao","Reaction of Silyllithium, α-Keto N-tert-Butanesulfinyl Imidates and Aldehydes for Asymmetric Synthesis of α-Substituted β-(Silyloxy)-α-hydroxy Acid Derivatives.","The Journal of organic chemistry","2017","82","19","10748","10755","10.1021/acs.joc.7b02214","","","0.71073","MoKα","","0.1014","0.0524","","","0.0906","0.1109","","","","","","1.025","","","","has coordinates","202707","2020-10-21","18:00:00",""
"4032888","10.969","0.006","14.515","0.006","15.54","0.007","90","","109.929","0.008","90","","2326","1.9","301","2","301","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C29 H24 N2 O3 S -","- C29 H24 N2 O3 S -","- C116 H96 N8 O12 S4 -","4","1","","Santhini, P. V.; Krishnan R, Akhil; Babu, Sheba Ann; Simethy, Betna Shamlin; Das, Gourab; Praveen, Vakayil K.; Varughese, Sunil; John, Jubi","One-Pot MCR-Oxidation Approach toward Indole-Fused Heteroacenes.","The Journal of organic chemistry","2017","82","19","10537","10548","10.1021/acs.joc.7b02039","","","0.71073","MoKα","","0.1157","0.0604","","","0.1638","0.1943","","","","","","0.869","","","","has coordinates","202676","2020-10-21","18:00:00",""
"4032889","7.40246","0.00019","7.5881","0.0002","21.4216","0.0005","90","","90","","90","","1203.26","0.05","293","","293","","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C12 H10 Cl N S2 -","- C12 H10 Cl N S2 -","- C48 H40 Cl4 N4 S8 -","4","1","","Belot, Vincent; Farran, Daniel; Jean, Marion; Albalat, Muriel; Vanthuyne, Nicolas; Roussel, Christian","Steric Scale of Common Substituents from Rotational Barriers of N-(o-Substituted aryl)thiazoline-2-thione Atropisomers.","The Journal of organic chemistry","2017","82","19","10188","10200","10.1021/acs.joc.7b01698","","x-ray","1.54184","CuKα","","0.0237","0.0234","","","0.0644","0.0647","","","","","","1.078","","","","has coordinates","204142","2020-10-21","18:00:00",""
"4032890","20.188","0.002","9.8499","0.0008","10.9975","0.001","90","","102.392","0.003","90","","2135.9","0.3","298","2","298","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C24 H22 N2 O3 S -","- C24 H22 N2 O3 S -","- C96 H88 N8 O12 S4 -","4","1","","Mallick, Rajendra K.; Prabagar, B.; Sahoo, Akhila K.","Regioselective Synthesis of 2,4,5-Trisubstituted Oxazoles and Ketene Aminals via Hydroamidation and Iodo-Imidation of Ynamides.","The Journal of organic chemistry","2017","82","19","10583","10594","10.1021/acs.joc.7b02124","","","0.71073","MoKα","","0.0623","0.0448","","","0.1133","0.1218","","","","","","1.055","","","","has coordinates","202683","2020-10-21","18:00:00",""
"4032891","9.235","0.0004","10.6767","0.0004","44.894","0.002","90","","92.065","0.001","90","","4423.6","0.3","295","2","295","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C24 H24 N2 O3 S -","- C24 H24 N2 O3 S -","- C192 H192 N16 O24 S8 -","8","2","","Mallick, Rajendra K.; Prabagar, B.; Sahoo, Akhila K.","Regioselective Synthesis of 2,4,5-Trisubstituted Oxazoles and Ketene Aminals via Hydroamidation and Iodo-Imidation of Ynamides.","The Journal of organic chemistry","2017","82","19","10583","10594","10.1021/acs.joc.7b02124","","","0.71073","MoKα","","0.1022","0.0625","","","0.1201","0.1397","","","","","","1.156","","","","has coordinates","202683","2020-10-21","18:00:00",""
"4032892","32.959","0.004","8.5274","0.0008","18.548","0.002","90","","109.063","0.004","90","","4927.1","0.9","296","2","296","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C26 H21 I N2 O4 S -","- C26 H21 I N2 O4 S -","- C208 H168 I8 N16 O32 S8 -","8","1","","Mallick, Rajendra K.; Prabagar, B.; Sahoo, Akhila K.","Regioselective Synthesis of 2,4,5-Trisubstituted Oxazoles and Ketene Aminals via Hydroamidation and Iodo-Imidation of Ynamides.","The Journal of organic chemistry","2017","82","19","10583","10594","10.1021/acs.joc.7b02124","","","0.71073","MoKα","","0.0622","0.037","","","0.0855","0.0942","","","","","","1.097","","","","has coordinates","202683","2020-10-21","18:00:00",""
"4032893","7.0936","0.0003","9.3673","0.0004","10.8449","0.0004","103.189","0.0014","97.273","0.0016","90.9588","0.0016","695.19","0.05","296","2","296","2","","","","","","","","5","P -1","-P 1","2","ye617","","","- C16 H15 N O2 S -","- C16 H15 N O2 S -","- C32 H30 N2 O4 S2 -","2","1","","Seo, Boram; Kim, Hyunseok; Kim, Ya Gob; Baek, Yonghyeon; Um, Kyusik; Lee, Phil Ho","Synthesis of Bicyclic Isothiazoles through an Intramolecular Rhodium-Catalyzed Transannulation of Cyanothiadiazoles.","The Journal of organic chemistry","2017","82","19","10574","10582","10.1021/acs.joc.7b02077","","","0.71073","","","0.0788","0.0732","","","0.2082","0.2182","","","","","","1.096","","","","has coordinates","202696","2020-10-21","18:00:00",""
"4032894","12.274","0.0004","11.8466","0.0004","7.7264","0.0002","90","","105.465","0.0013","90","","1082.78","0.06","296","2","296","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","JBK-477","","","- C12 H9 N O2 S -","- C12 H9 N O2 S -","- C48 H36 N4 O8 S4 -","4","1","","Seo, Boram; Kim, Hyunseok; Kim, Ya Gob; Baek, Yonghyeon; Um, Kyusik; Lee, Phil Ho","Synthesis of Bicyclic Isothiazoles through an Intramolecular Rhodium-Catalyzed Transannulation of Cyanothiadiazoles.","The Journal of organic chemistry","2017","82","19","10574","10582","10.1021/acs.joc.7b02077","","","0.71073","","","0.0762","0.069","","","0.1822","0.1914","","","","","","1.04","","","","has coordinates","202696","2020-10-21","18:00:00",""
"4032895","5.5974","0.0004","19.0054","0.001","17.2544","0.001","90","","90","","90","","1835.54","0.19","295","2","295","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C21 H23 N O4 -","- C21 H23 N O4 -","- C84 H92 N4 O16 -","4","1","","Shao, Pan-Lin; Li, Zi-Rui; Wang, Zhi-Peng; Zhou, Ming-Hui; Wu, Qi; Hu, Ping; He, Yun","[3 + 2] Cycloaddition of Azaoxyallyl Cations with Cyclic Ketones: Access to Spiro-4-oxazolidinones.","The Journal of organic chemistry","2017","82","19","10680","10686","10.1021/acs.joc.7b01728","","","0.71073","MoKα","","0.0703","0.0514","","","0.1076","0.1192","","","","","","1.037","","","","has coordinates","202680","2020-10-21","18:00:00",""
"4032896","11.0525","0.0008","11.1109","0.0008","11.4881","0.0008","115.323","0.007","99.995","0.006","110.986","0.007","1097.8","0.2","295","2","295","2","","","","","","","","4","P -1","-P 1","2","","","","- C26 H23 N O4 -","- C26 H23 N O4 -","- C52 H46 N2 O8 -","2","1","","Shao, Pan-Lin; Li, Zi-Rui; Wang, Zhi-Peng; Zhou, Ming-Hui; Wu, Qi; Hu, Ping; He, Yun","[3 + 2] Cycloaddition of Azaoxyallyl Cations with Cyclic Ketones: Access to Spiro-4-oxazolidinones.","The Journal of organic chemistry","2017","82","19","10680","10686","10.1021/acs.joc.7b01728","","x-ray","0.71073","MoKα","","0.0717","0.0452","","","0.0998","0.1154","","","","","","1.042","","","","has coordinates","202680","2020-10-21","18:00:00",""
"4032897","11.6822","0.0007","11.7363","0.0011","17.1486","0.0012","87.187","0.006","89.117","0.005","81.697","0.006","2323.6","0.3","293","2","293","2","","","","","","","","4","P -1","-P 1","2","","","","- C26 H23 N O5 -","- C26 H23 N O5 -","- C104 H92 N4 O20 -","4","2","","Shao, Pan-Lin; Li, Zi-Rui; Wang, Zhi-Peng; Zhou, Ming-Hui; Wu, Qi; Hu, Ping; He, Yun","[3 + 2] Cycloaddition of Azaoxyallyl Cations with Cyclic Ketones: Access to Spiro-4-oxazolidinones.","The Journal of organic chemistry","2017","82","19","10680","10686","10.1021/acs.joc.7b01728","","","0.71073","MoKα","","0.1146","0.0581","","","0.1342","0.1803","","","","","","1.038","","","","has coordinates","202680","2020-10-21","18:00:00",""
"4032898","35.153","0.002","35.153","0.002","8.9968","0.0005","90","","90","","120","","9628.2","0.9","200","2","200","2","","","","","","","","4","R -3","-R 3","148","","","","- C19 H19 N O4 -","- C19 H19 N O4 -","- C342 H342 N18 O72 -","18","","","Shao, Pan-Lin; Li, Zi-Rui; Wang, Zhi-Peng; Zhou, Ming-Hui; Wu, Qi; Hu, Ping; He, Yun","[3 + 2] Cycloaddition of Azaoxyallyl Cations with Cyclic Ketones: Access to Spiro-4-oxazolidinones.","The Journal of organic chemistry","2017","82","19","10680","10686","10.1021/acs.joc.7b01728","","","0.71073","MoKα","","0.0758","0.0533","","","0.1405","0.1538","","","","","","1.047","","","","has coordinates","202680","2020-10-21","18:00:00",""
"4032899","5.608","0.002","8.703","0.003","20.091","0.007","90","","90","","90","","980.6","0.6","296","2","296","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C11 H10 N2 O -","- C11 H10 N2 O -","- C44 H40 N8 O4 -","4","1","","Meng, Fei; Zhang, Honglin; Guo, Kang; Dong, Jiayue; Lu, Ai-Min; Zhu, Yingguang","Access to Cyano-Containing Isoxazolines via Copper-Catalyzed Domino Cyclization/Cyanation of Alkenyl Oximes.","The Journal of organic chemistry","2017","82","19","10742","10747","10.1021/acs.joc.7b02133","","","0.71073","MoKα","","0.0893","0.0481","","","0.099","0.1129","","","","","","1.043","","","","has coordinates","202693","2020-10-21","18:00:00",""
"4032900","9.018","0.002","12.803","0.003","13.586","0.003","92.859","0.004","106.099","0.003","90.084","0.004","1505","0.6","123","","123","","","","","","","","","5","P -1","-P 1","2","","","","- C35 H42 B N O5 -","- C35 H42 B N O5 -","- C70 H84 B2 N2 O10 -","2","1","","Iwamoto, Hiroaki; Ozawa, Yu; Kubota, Koji; Ito, Hajime","Copper(I)-Catalyzed Regio- and Stereoselective Intramolecular Alkylboration of Propargyl Ethers and Amines.","The Journal of organic chemistry","2017","82","19","10563","10573","10.1021/acs.joc.7b02071","","","0.71075","MoKα","","0.1278","0.0529","","","0.1085","0.1629","","","","","","1.078","","","","has coordinates","202709","2020-10-21","18:00:00",""
"4032901","8.8147","0.0015","8.1358","0.0014","20.421","0.004","90","","91.788","0.007","90","","1463.8","0.5","100","2","100","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C16 H15 N O4 S -","- C16 H15 N O4 S -","- C64 H60 N4 O16 S4 -","4","1","","Chang, Meng-Yang; Chen, Han-Yu; Wang, Heui-Sin","Regiocontrolled Synthesis of α-Sulfonylmethyl o-Nitrostyrenes via ZnI2-Mediated Sulfonylation and AgNO2/Pd(PPh3)4-Promoted o-Nitration.","The Journal of organic chemistry","2017","82","19","10601","10610","10.1021/acs.joc.7b02311","","","0.71073","MoKα","","0.0915","0.074","","","0.2208","0.2397","","","","","","1.085","","","","has coordinates","202675","2020-10-21","18:00:00",""
"4032902","7.1934","0.0007","7.9479","0.0007","9.7888","0.0009","80.149","0.002","78.645","0.002","89.534","0.002","540.42","0.09","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","","","- C10 H11 N O4 S -","- C10 H11 N O4 S -","- C20 H22 N2 O8 S2 -","2","1","","Chang, Meng-Yang; Chen, Han-Yu; Wang, Heui-Sin","Regiocontrolled Synthesis of α-Sulfonylmethyl o-Nitrostyrenes via ZnI2-Mediated Sulfonylation and AgNO2/Pd(PPh3)4-Promoted o-Nitration.","The Journal of organic chemistry","2017","82","19","10601","10610","10.1021/acs.joc.7b02311","","","0.71073","MoKα","","0.0287","0.0273","","","0.0665","0.0674","","","","","","1.043","","","","has coordinates","202675","2020-10-21","18:00:00",""
"4032903","10.958","0.003","7.579","0.002","18.911","0.005","90","","106.133","0.005","90","","1508.7","0.7","100","2","100","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C16 H15 N O5 S -","- C16 H15 N O5 S -","- C64 H60 N4 O20 S4 -","4","1","","Chang, Meng-Yang; Chen, Han-Yu; Wang, Heui-Sin","Regiocontrolled Synthesis of α-Sulfonylmethyl o-Nitrostyrenes via ZnI2-Mediated Sulfonylation and AgNO2/Pd(PPh3)4-Promoted o-Nitration.","The Journal of organic chemistry","2017","82","19","10601","10610","10.1021/acs.joc.7b02311","","","0.71073","MoKα","","0.1205","0.0964","","","0.2638","0.2805","","","","","","1.1","","","","has coordinates","202675","2020-10-21","18:00:00",""
"4032904","5.676","0.002","9.256","0.004","27.339","0.012","90","","90.107","0.01","90","","1436.3","1","296","2","296","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C15 H13 Cl O3 S -","- C15 H13 Cl O3 S -","- C60 H52 Cl4 O12 S4 -","4","1","","Chang, Meng-Yang; Chen, Han-Yu; Wang, Heui-Sin","Regiocontrolled Synthesis of α-Sulfonylmethyl o-Nitrostyrenes via ZnI2-Mediated Sulfonylation and AgNO2/Pd(PPh3)4-Promoted o-Nitration.","The Journal of organic chemistry","2017","82","19","10601","10610","10.1021/acs.joc.7b02311","","","0.71073","MoKα","","0.133","0.0676","","","0.1411","0.164","","","","","","1.08","","","","has coordinates","202675","2020-10-21","18:00:00",""
"4032905","11.1208","0.0009","11.5061","0.001","11.8471","0.001","90","","102.556","0.002","90","","1479.7","0.2","100","2","100","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C18 H19 N O2 -","- C18 H19 N O2 -","- C72 H76 N4 O8 -","4","1","","Chang, Meng-Yang; Chen, Han-Yu; Wang, Heui-Sin","Regiocontrolled Synthesis of α-Sulfonylmethyl o-Nitrostyrenes via ZnI2-Mediated Sulfonylation and AgNO2/Pd(PPh3)4-Promoted o-Nitration.","The Journal of organic chemistry","2017","82","19","10601","10610","10.1021/acs.joc.7b02311","","","0.71073","MoKα","","0.0535","0.0426","","","0.1079","0.1143","","","","","","1.052","","","","has coordinates","202675","2020-10-21","18:00:00",""
"4032906","6.7402","0.0002","11.5964","0.0002","24.9844","0.0006","90","","90","","90","","1952.83","0.08","150","","150","","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C19 H25 F3 N2 O3 -","- C19 H25 F3 N2 O3 -","- C76 H100 F12 N8 O12 -","4","1","","Li, Yifei; Jackson, Kelvin E.; Charlton, Andrew; Le Neve-Foster, Ben; Khurshid, Asma; Rudy, Heinrich-K A; Thompson, Amber L.; Paton, Robert S.; Hodgson, David M.","Asymmetric Induction in C-Alkylation of Tropane-Derived Enamines: Congruence Between Computation and Experiment.","The Journal of organic chemistry","2017","82","19","10479","10488","10.1021/acs.joc.7b01954","","","1.5418","CuKα","","0.0488","0.0465","","0.1275","0.1244","0.1275","","","","","","0.9953","","","","has coordinates,has disorder","202691","2020-10-21","18:00:00",""
"4032907","22.5153","0.0009","8.3136","0.0003","32.1163","0.0013","90","","101.002","0.0018","90","","5901.2","0.4","93","2","93","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C64 H38 F20 N8 O4 -","- C64 H38 F20 N8 O4 -","- C256 H152 F80 N32 O16 -","4","1","","Yoneda, Tomoki; Hoshino, Tyuji; Neya, Saburo","[24]Pentaphyrin(2.1.1.1.1): A Strongly Antiaromatic Pentaphyrin.","The Journal of organic chemistry","2017","82","19","10737","10741","10.1021/acs.joc.7b01998","","","1.54187","CuKα","","0.1314","0.0736","","","0.1722","0.2176","","","","","","1.005","","","","has coordinates","202674","2020-10-21","18:00:00",""
"4032908","15.9571","0.0009","18.4976","0.0011","21.6413","0.0011","80.425","0.005","84.18","0.004","83.638","0.005","6237.6","0.6","93","2","93","2","","","","","","","","5","P -1","-P 1","2","","","","- C134 H94 F40 N10 O9 -","- C134 H94 F40 N10 O9 -","- C268 H188 F80 N20 O18 -","2","1","","Yoneda, Tomoki; Hoshino, Tyuji; Neya, Saburo","[24]Pentaphyrin(2.1.1.1.1): A Strongly Antiaromatic Pentaphyrin.","The Journal of organic chemistry","2017","82","19","10737","10741","10.1021/acs.joc.7b01998","","","1.54184","CuKα","","0.2358","0.1109","","","0.2628","0.3419","","","","","","1.066","","","","has coordinates,has disorder","202674","2020-10-21","18:00:00",""
"4032909","13.431","0.002","8.9297","0.0015","21.363","0.004","90","","106.011","0.002","90","","2462.8","0.7","296","2","296","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C31 H23 N3 O3 -","- C31 H23 N3 O3 -","- C124 H92 N12 O12 -","4","1","","Jiang, Shan; Guo, Hong-Mei; Yao, Sheng; Shi, De-Qing; Xiao, Wen-Jing","Synthesis of Spiro[pyrazolin-3,3'-oxindoles] and 3-Arylcarbonylmethyl Substituted Ylideneoxindoles by 1,3-Dipolar Cycloadditions of 3-Ylideneoxindoles and In-Situ-Generated α-Diazoketones.","The Journal of organic chemistry","2017","82","19","10433","10443","10.1021/acs.joc.7b01907","","","0.71073","MoKα","","0.0868","0.0549","","","0.1545","0.1791","","","","","","0.988","","","","has coordinates","202678","2020-10-21","18:00:00",""
"4032910","8.481","0.002","8.527","0.002","13.607","0.003","102.268","0.003","99.165","0.004","107.023","0.004","893.2","0.4","324","2","324","2","","","","","","","","4","P -1","-P 1","2","","","","- C21 H19 N O4 -","- C21 H19 N O4 -","- C42 H38 N2 O8 -","2","1","","Jiang, Shan; Guo, Hong-Mei; Yao, Sheng; Shi, De-Qing; Xiao, Wen-Jing","Synthesis of Spiro[pyrazolin-3,3'-oxindoles] and 3-Arylcarbonylmethyl Substituted Ylideneoxindoles by 1,3-Dipolar Cycloadditions of 3-Ylideneoxindoles and In-Situ-Generated α-Diazoketones.","The Journal of organic chemistry","2017","82","19","10433","10443","10.1021/acs.joc.7b01907","","","0.71073","MoKα","","0.1013","0.0557","","","0.1651","0.2035","","","","","","0.92","","","","has coordinates","202678","2020-10-21","18:00:00",""
"4032911","11.3053","0.0002","13.6069","0.0003","16.3832","0.0004","105.526","0.002","92.8266","0.0019","109.973","0.002","2254.48","0.1","150","2","150","2","","","","","","","","4","P -1","-P 1","2","","","","- C26 H22 Fe O6 -","- C26 H22 Fe O6 -","- C104 H88 Fe4 O24 -","4","2","","Brown, Thomas J.; Cumbes, Madeleine; Diorazio, Louis J.; Clarkson, Guy J.; Wills, Martin","Use of (Cyclopentadienone)iron Tricarbonyl Complexes for C-N Bond Formation Reactions between Amines and Alcohols.","The Journal of organic chemistry","2017","82","19","10489","10503","10.1021/acs.joc.7b01990","","x-ray","1.54184","CuKα","","0.0381","0.0359","","","0.0973","0.0994","","","","","","1.032","","","","has coordinates","202681","2020-10-21","18:00:00",""
"4032912","36.553","0.005","10.5914","0.0015","15.847","0.002","90","","90","","90","","6135.1","1.4","93","2","93","2","","","","","","","","4","F d d 2","F 2 -2d","43","","","","- C16 H15 N3 O4 -","- C16 H15 N3 O4 -","- C256 H240 N48 O64 -","16","1","","Zhu, Jie S.; Son, Jung-Ho; Teuthorn, Andrew P.; Haddadin, Makhluf J.; Kurth, Mark J.; Tantillo, Dean J.","Diverting Reactive Intermediates Toward Unusual Chemistry: Unexpected Anthranil Products from Davis-Beirut Reaction.","The Journal of organic chemistry","2017","82","20","10875","10882","10.1021/acs.joc.7b01521","","","0.71073","MoKα","","0.0404","0.0395","","","0.1059","0.1064","","","","","","1.068","","","","has coordinates","202727","2020-10-21","18:00:00",""
"4032913","28.443","0.009","5.5707","0.0014","15.837","0.008","90","","121.19","0.02","90","","2146.6","1.5","88","2","88","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C14 H9 N3 O -","- C14 H9 N3 O -","- C112 H72 N24 O8 -","8","1","","Zhu, Jie S.; Son, Jung-Ho; Teuthorn, Andrew P.; Haddadin, Makhluf J.; Kurth, Mark J.; Tantillo, Dean J.","Diverting Reactive Intermediates Toward Unusual Chemistry: Unexpected Anthranil Products from Davis-Beirut Reaction.","The Journal of organic chemistry","2017","82","20","10875","10882","10.1021/acs.joc.7b01521","","","0.71073","MoKα","","0.0597","0.0407","","","0.101","0.1119","","","","","","1.036","","","","has coordinates","202727","2020-10-21","18:00:00",""
"4032914","19.7261","0.0006","14.1348","0.0004","20.9034","0.0007","90","","112.341","0.0012","90","","5390.9","0.3","90","2","90","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C58 H40 Cl4 N12 O6 -","- C58 H40 Cl4 N12 O6 -","- C232 H160 Cl16 N48 O24 -","4","1","","Zhu, Jie S.; Son, Jung-Ho; Teuthorn, Andrew P.; Haddadin, Makhluf J.; Kurth, Mark J.; Tantillo, Dean J.","Diverting Reactive Intermediates Toward Unusual Chemistry: Unexpected Anthranil Products from Davis-Beirut Reaction.","The Journal of organic chemistry","2017","82","20","10875","10882","10.1021/acs.joc.7b01521","","","1.54178","CuKα","","0.0712","0.0667","","","0.1876","0.1934","","","","","","1.039","","","","has coordinates,has disorder","202727","2020-10-21","18:00:00",""
"4032915","11.227","0.0005","11.7648","0.0005","19.8563","0.0009","103.634","0.004","90.221","0.004","110.067","0.004","2383.7","0.2","100","0.1","100","0.1","","","","","","","","5","P -1","-P 1","2","","","","- C50 H60 Cl3 N3 Pd -","- C50 H60 Cl3 N3 Pd -","- C100 H120 Cl6 N6 Pd2 -","2","1","","Lu, Dong-Dong; He, Xu-Xian; Liu, Feng-Shou","Bulky Yet Flexible Pd-PEPPSI-IPent(An) for the Synthesis of Sterically Hindered Biaryls in Air.","The Journal of organic chemistry","2017","82","20","10898","10911","10.1021/acs.joc.7b01711","","x-ray","0.71073","MoKα","","0.0495","0.0383","","","0.0779","0.0835","","","","","","1.026","","","","has coordinates","202730","2020-10-21","18:00:00",""
"4032916","10.935","0.003","15.723","0.004","12.065","0.003","90","","109.012","0.003","90","","1961.2","0.9","296","2","296","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C19 H29 N O3 S -","- C19 H29 N O3 S -","- C76 H116 N4 O12 S4 -","4","2","","Li, Chun-Tian; Liu, Hui; Xu, Yan-Jun; Lu, Chong-Dao","Aldol Reaction of N-tert-Butanesulfinyl Imidates under Basic Conditions for Diastereoselective Synthesis of anti-Aldols.","The Journal of organic chemistry","2017","82","20","11253","11261","10.1021/acs.joc.7b01982","","","0.71073","MoKα","","0.1237","0.0555","","","0.1045","0.1382","","","","","","1.038","","","","has coordinates","202732","2020-10-21","18:00:00",""
"4032917","8.696","0.014","9.78","0.015","20.51","0.03","90","","90","","90","","1744","5","296","2","296.15","","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C16 H25 N O3 S -","- C16 H25 N O3 S -","- C64 H100 N4 O12 S4 -","4","1","","Li, Chun-Tian; Liu, Hui; Xu, Yan-Jun; Lu, Chong-Dao","Aldol Reaction of N-tert-Butanesulfinyl Imidates under Basic Conditions for Diastereoselective Synthesis of anti-Aldols.","The Journal of organic chemistry","2017","82","20","11253","11261","10.1021/acs.joc.7b01982","","","0.71073","MoKα","","0.1142","0.0507","","","0.0919","0.1109","","","","","","0.923","","","","has coordinates","202732","2020-10-21","18:00:00",""
"4032918","10.136","0.01","6.549","0.007","17.967","0.018","90","","92.66","0.06","90","","1191","2","293","2","293","2","","","","","","","","4","P 1 21 1","P 2yb","4","amcterbutilo","","","- C27 H30 N2 O4 -","- C27 H30 N2 O4 -","- C54 H60 N4 O8 -","2","1","","Molina, Alba; Pascual-Escudero, Ana; Adrio, Javier; Carretero, Juan C.","Catalytic Asymmetric 1,3-Dipolar Cycloaddition/Hydroamination Sequence: Expeditious Access to Enantioenriched Pyrroloisoquinoline Derivatives.","The Journal of organic chemistry","2017","82","20","11238","11246","10.1021/acs.joc.7b01927","","","0.71073","MoKα","","0.1633","0.0697","","","0.1536","0.1957","","","","","","1.006","","","","has coordinates","202722","2020-10-21","18:00:00",""
"4032919","23.815","0.014","5.267","0.003","16.247","0.009","90","","100.81","0.008","90","","2002","2","173.15","","173.15","","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C14 H8 O S -","- C14 H8 O S -","- C112 H64 O8 S8 -","8","1","","Chen, Daoliang; Yuan, Dafei; Zhang, Cheng; Wu, Hao; Zhang, Jianyun; Li, Baolin; Zhu, Xiaozhang","Ullmann-Type Intramolecular C-O Reaction Toward Thieno[3,2-b]furan Derivatives with up to Six Fused Rings.","The Journal of organic chemistry","2017","82","20","10920","10927","10.1021/acs.joc.7b01745","","","0.71073","MoKα","","0.0455","0.044","","","0.105","0.1065","","","","","","1.114","","","","has coordinates","202735","2020-10-21","18:00:00",""
"4032920","11.939","0.005","5.977","0.003","19.793","0.009","90","","101.211","0.006","90","","1385.5","1.1","173.15","","173.15","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C18 H16 O S -","- C18 H16 O S -","- C72 H64 O4 S4 -","4","1","","Chen, Daoliang; Yuan, Dafei; Zhang, Cheng; Wu, Hao; Zhang, Jianyun; Li, Baolin; Zhu, Xiaozhang","Ullmann-Type Intramolecular C-O Reaction Toward Thieno[3,2-b]furan Derivatives with up to Six Fused Rings.","The Journal of organic chemistry","2017","82","20","10920","10927","10.1021/acs.joc.7b01745","","","0.71073","MoKα","","0.0506","0.0459","","","0.0949","0.097","","","","","","1.136","","","","has coordinates","202735","2020-10-21","18:00:00",""
"4032921","11.504","0.008","3.842","0.002","13.114","0.01","90","","112.364","0.014","90","","536","0.6","173","","173","","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C14 H7 Cl O S -","- C14 H7 Cl O S -","- C28 H14 Cl2 O2 S2 -","2","1","","Chen, Daoliang; Yuan, Dafei; Zhang, Cheng; Wu, Hao; Zhang, Jianyun; Li, Baolin; Zhu, Xiaozhang","Ullmann-Type Intramolecular C-O Reaction Toward Thieno[3,2-b]furan Derivatives with up to Six Fused Rings.","The Journal of organic chemistry","2017","82","20","10920","10927","10.1021/acs.joc.7b01745","","","0.71073","MoKα","","0.0607","0.0518","","","0.0866","0.0891","","","","","","1.156","","","","has coordinates","202735","2020-10-21","18:00:00",""
"4032922","6.657","0.003","8.177","0.004","12.851","0.005","94.123","0.007","92.155","0.004","108.359","0.008","660.9","0.5","173.15","","173.15","","","","","","","","","4","P -1","-P 1","2","","","","- C30 H38 O2 S2 -","- C30 H38 O2 S2 -","- C30 H38 O2 S2 -","1","0.5","","Chen, Daoliang; Yuan, Dafei; Zhang, Cheng; Wu, Hao; Zhang, Jianyun; Li, Baolin; Zhu, Xiaozhang","Ullmann-Type Intramolecular C-O Reaction Toward Thieno[3,2-b]furan Derivatives with up to Six Fused Rings.","The Journal of organic chemistry","2017","82","20","10920","10927","10.1021/acs.joc.7b01745","","","0.71073","MoKα","","0.0496","0.0451","","","0.1","0.1034","","","","","","1.104","","","","has coordinates","202735","2020-10-21","18:00:00",""
"4032923","7.7884","0.0007","11.6933","0.0011","12.7018","0.0011","76.661","0.002","80.261","0.002","87.702","0.002","1109.35","0.17","100","2","100","2","","","","","","","","4","P -1","-P 1","2","","","","- C28 H26 O3 S -","- C28 H26 O3 S -","- C56 H52 O6 S2 -","2","1","","Chang, Meng-Yang; Hsiao, Yu-Ting","H2SO4-Mediated Stereocontrolled Annulation of Oxygenated Naphthalenes and 4-Alkenols: One-Pot Synthesis of Tetanthrenes.","The Journal of organic chemistry","2017","82","21","11594","11602","10.1021/acs.joc.7b02291","","","0.71073","MoKα","","0.0403","0.0344","","","0.0858","0.0895","","","","","","1.023","","","","has coordinates","202760","2020-10-21","18:00:00",""
"4032924","7.7512","0.0006","11.678","0.0009","13.0912","0.001","74.837","0.002","79.922","0.002","86.822","0.002","1126.04","0.15","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","","","- C28 H25 F O3 S -","- C28 H25 F O3 S -","- C56 H50 F2 O6 S2 -","2","1","","Chang, Meng-Yang; Hsiao, Yu-Ting","H2SO4-Mediated Stereocontrolled Annulation of Oxygenated Naphthalenes and 4-Alkenols: One-Pot Synthesis of Tetanthrenes.","The Journal of organic chemistry","2017","82","21","11594","11602","10.1021/acs.joc.7b02291","","","0.71073","MoKα","","0.0363","0.0318","","","0.081","0.0841","","","","","","1.048","","","","has coordinates","202760","2020-10-21","18:00:00",""
"4032925","11.4491","0.0005","17.7989","0.0006","26.917","0.0011","90","","90","","90","","5485.2","0.4","296","2","296","2","","","","","","","","4","P c a 21","P 2c -2ac","29","","","","- C34 H30 O3 S -","- C34 H30 O3 S -","- C272 H240 O24 S8 -","8","2","","Chang, Meng-Yang; Hsiao, Yu-Ting","H2SO4-Mediated Stereocontrolled Annulation of Oxygenated Naphthalenes and 4-Alkenols: One-Pot Synthesis of Tetanthrenes.","The Journal of organic chemistry","2017","82","21","11594","11602","10.1021/acs.joc.7b02291","","","0.71073","MoKα","","0.1093","0.0637","","","0.151","0.1854","","","","","","1.032","","","","has coordinates","202760","2020-10-21","18:00:00",""
"4032926","7.629","0.0004","11.9937","0.0007","13.0614","0.0006","74.603","0.002","83.167","0.002","87.823","0.002","1144.01","0.1","100","2","100","2","","","","","","","","4","P -1","-P 1","2","","","","- C29 H28 O3 S -","- C29 H28 O3 S -","- C58 H56 O6 S2 -","2","1","","Chang, Meng-Yang; Hsiao, Yu-Ting","H2SO4-Mediated Stereocontrolled Annulation of Oxygenated Naphthalenes and 4-Alkenols: One-Pot Synthesis of Tetanthrenes.","The Journal of organic chemistry","2017","82","21","11594","11602","10.1021/acs.joc.7b02291","","","0.71073","MoKα","","0.0348","0.0325","","","0.09","0.0922","","","","","","1.056","","","","has coordinates","202760","2020-10-21","18:00:00",""
"4032927","8.365","0.0003","14.5526","0.0005","15.0103","0.0004","90","","90","","90","","1827.24","0.1","100","2","100","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C22 H22 O3 S -","- C22 H22 O3 S -","- C88 H88 O12 S4 -","4","1","","Chang, Meng-Yang; Hsiao, Yu-Ting","H2SO4-Mediated Stereocontrolled Annulation of Oxygenated Naphthalenes and 4-Alkenols: One-Pot Synthesis of Tetanthrenes.","The Journal of organic chemistry","2017","82","21","11594","11602","10.1021/acs.joc.7b02291","","","0.71073","MoKα","","0.0327","0.0309","","","0.073","0.0742","","","","","","1.037","","","","has coordinates","202760","2020-10-21","18:00:00",""
"4032928","8.1348","0.0005","13.0188","0.0007","15.4944","0.0009","110.348","0.003","95.56","0.003","107.969","0.003","1424.64","0.15","100","2","100","2","","","","","","","","4","P -1","-P 1","2","","","","- C30 H30 O4 S -","- C30 H30 O4 S -","- C60 H60 O8 S2 -","2","1","","Chang, Meng-Yang; Hsiao, Yu-Ting","H2SO4-Mediated Stereocontrolled Annulation of Oxygenated Naphthalenes and 4-Alkenols: One-Pot Synthesis of Tetanthrenes.","The Journal of organic chemistry","2017","82","21","11594","11602","10.1021/acs.joc.7b02291","","","0.71073","MoKα","","0.062","0.0522","","","0.1615","0.1752","","","","","","1.077","","","","has coordinates","202760","2020-10-21","18:00:00",""
"4032929","9.3547","0.0004","15.8152","0.0007","16.7422","0.0008","90","","93.334","0.002","90","","2472.76","0.19","100","2","100","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C30 H30 O4 S -","- C30 H30 O4 S -","- C120 H120 O16 S4 -","4","1","","Chang, Meng-Yang; Hsiao, Yu-Ting","H2SO4-Mediated Stereocontrolled Annulation of Oxygenated Naphthalenes and 4-Alkenols: One-Pot Synthesis of Tetanthrenes.","The Journal of organic chemistry","2017","82","21","11594","11602","10.1021/acs.joc.7b02291","","","0.71073","MoKα","","0.0606","0.0455","","","0.1067","0.1156","","","","","","1.039","","","","has coordinates","202760","2020-10-21","18:00:00",""
"4032930","8.1394","0.0006","9.4166","0.0007","19.4343","0.0015","95.957","0.002","97.141","0.002","109.052","0.002","1380.39","0.18","100","2","100","2","","","","","","","","4","P -1","-P 1","2","","","","- C31 H34 O5 S2 -","- C31 H34 O5 S2 -","- C62 H68 O10 S4 -","2","1","","Chang, Meng-Yang; Hsiao, Yu-Ting","H2SO4-Mediated Stereocontrolled Annulation of Oxygenated Naphthalenes and 4-Alkenols: One-Pot Synthesis of Tetanthrenes.","The Journal of organic chemistry","2017","82","21","11594","11602","10.1021/acs.joc.7b02291","","","0.71073","MoKα","","0.0417","0.0345","","","0.0848","0.0893","","","","","","1.04","","","","has coordinates","202760","2020-10-21","18:00:00",""
"4032931","12.4191","0.0008","13.6805","0.001","15.3386","0.0011","90","","103.4","0.002","90","","2535.1","0.3","100","2","100","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C29 H27 O3 S -","- C29 H27 O3 S -","- C116 H108 O12 S4 -","4","1","","Chang, Meng-Yang; Hsiao, Yu-Ting","H2SO4-Mediated Stereocontrolled Annulation of Oxygenated Naphthalenes and 4-Alkenols: One-Pot Synthesis of Tetanthrenes.","The Journal of organic chemistry","2017","82","21","11594","11602","10.1021/acs.joc.7b02291","","","0.71073","MoKα","","0.0479","0.038","","","0.097","0.1032","","","","","","1.023","","","","has coordinates","202760","2020-10-21","18:00:00",""
"4032932","14.0786","0.0004","13.1662","0.0004","12.1197","0.0004","90","","102.656","0.003","90","","2191.94","0.12","200","2","200","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C24 H23 O8.5 -","- C24 H23 O8.5 -","- C96 H92 O34 -","4","1","","Lin, Yu-Feng; Fong, Chi; Peng, Wan-Ling; Tang, Kuei-Chien; Liang, Yi-En; Li, Wen-Tai","Synthesis of 3-(2-Olefinbenzyl)-4H-chromen-4-one through Cyclobenzylation and Catalytic C-H Bond Functionalization Using Palladium(II).","The Journal of organic chemistry","2017","82","20","10855","10865","10.1021/acs.joc.7b01626","","","1.54178","CuKα","","0.0746","0.0584","","","0.1652","0.1831","","","","","","1.031","","","","has coordinates,has disorder","202719","2020-10-21","18:00:00",""
"4032933","7.787","0.0009","9.1541","0.001","21.398","0.002","90","","90","","90","","1525.3","0.3","100","2","100","2","","","","","","","","3","P n a 21","P 2c -2n","33","","","","- C19 H18 O4 -","- C19 H18 O4 -","- C76 H72 O16 -","4","1","","Sandridge, Matthew J.; McLarney, Brett D.; Williams, Corey W.; France, Stefan","α-Alkylidene-γ-butyrolactone Formation via Bi(OTf)3-Catalyzed, Dehydrative, Ring-Opening Cyclizations of Cyclopropyl Carbinols: Understanding Substituent Effects and Predicting E/Z Selectivity.","The Journal of organic chemistry","2017","82","20","10883","10897","10.1021/acs.joc.7b01706","","","0.71073","MoKα","","0.0386","0.0366","","","0.0912","0.0935","","","","","","1.059","","","","has coordinates","202718","2020-10-21","18:00:00",""
"4032934","13.865","0.004","10.825","0.002","9.0227","0.0014","90","","90.53","0.02","90","","1354.1","0.5","287.51","0.1","287.51","0.1","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C17 H15 N O2 -","- C17 H15 N O2 -","- C68 H60 N4 O8 -","4","1","","Guo, Xin; Han, Jianwei; Liu, Yafeng; Qin, Mingda; Zhang, Xueguo; Chen, Baohua","Synthesis of 2,3-Disubstituted NH Indoles via Rhodium(III)-Catalyzed C-H Activation of Arylnitrones and Coupling with Diazo Compounds.","The Journal of organic chemistry","2017","82","21","11505","11511","10.1021/acs.joc.7b02105","","x-ray","0.71","MoKα","","0.0502","0.0409","","","0.1013","0.1071","","","","","","1.073","","","","has coordinates","202749","2020-10-21","18:00:00",""
"4032935","10.7119","0.0007","12.3681","0.0007","15.6167","0.001","88.64","0.004","76.819","0.004","85.895","0.004","2009.3","0.2","296","2","296","2","","","","","","","","5","P -1","-P 1","2","","","","- C22 H23 N O3 S -","- C22 H22.5 N O3 S -","- C88 H90 N4 O12 S4 -","4","2","","Zhang, Jian; Wu, Mingchang; Lu, Wei; Wang, Shuaifeng; Zhang, Yan; Cheng, Cungui; Zhu, Gangguo","Preparation of 2-Amino-5-homoallylfurans via Palladium-Catalyzed Tandem Cycloisomerization/Heck-Type Coupling of Homoallenyl Amides with Allyltrialkylsilanes.","The Journal of organic chemistry","2017","82","20","11134","11140","10.1021/acs.joc.7b02131","","","0.71073","MoKα","","0.1621","0.1264","","","0.2489","0.2606","","","","","","1.63","","","","has coordinates","253039","2020-10-21","18:00:00",""
"4032936","9.947","0.007","12.46","0.009","17.683","0.012","90","","94.163","0.012","90","","2186","3","296","2","296","2","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","","","- C26 H24 S2 -","- C26 H24 S2 -","- C104 H96 S8 -","4","1","","Luo, Qianfu; Cao, Fei; Xiong, Chaochao; Dou, Qingyu; Qu, Da-Hui","Hybrid cis/trans Tetra-arylethenes with Switchable Aggregation-Induced Emission (AIE) and Reversible Photochromism in the Solution, PMMA Film, Solid Powder, and Single Crystal.","The Journal of organic chemistry","2017","82","20","10960","10967","10.1021/acs.joc.7b01877","","","0.71073","MoKα","","0.0802","0.0474","","","0.1365","0.1577","","","","","","1.053","","","","has coordinates","202714","2020-10-21","18:00:00",""
"4032937","5.7562","0.0007","11.7478","0.0014","27.37","0.003","90","","90","","90","","1850.8","0.4","293","2","293","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C19 H18 Cl F N2 O4 -","- C19 H18 Cl F N2 O4 -","- C76 H72 Cl4 F4 N8 O16 -","4","1","","Liu, Yang-Zi; Shang, Shao-Jing; Yang, Wu-Lin; Luo, Xiaoyan; Deng, Wei-Ping","Stereoselective Synthesis of Pyrrolidines Containing a 3-Fluoro Quaternary Stereocenter via Copper(I)-Catalyzed Asymmetric 1,3-Dipolar Cycloaddition.","The Journal of organic chemistry","2017","82","20","11141","11149","10.1021/acs.joc.7b02142","","","0.71073","MoKα","","0.0623","0.0566","","","0.1335","0.1367","","","","","","1.177","","","","has coordinates","202733","2020-10-21","18:00:00",""
"4032938","10.373","0.005","8.148","0.004","11.635","0.006","90","","104.787","0.011","90","","950.8","0.8","296","2","296","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C22 H26 N2 O3 -","- C22 H26 N2 O3 -","- C44 H52 N4 O6 -","2","1","","Kalshetti, Manojkumar G.; Argade, Narshinha P.","Total Synthesis of (±)/(+)-Subincanadine E and Determination of Absolute Configuration.","The Journal of organic chemistry","2017","82","20","11126","11133","10.1021/acs.joc.7b02122","","","0.71073","MoKα","","0.1331","0.068","","","0.1302","0.159","","","","","","0.974","","","","has coordinates","202734","2020-10-21","18:00:00",""
"4032939","11.883","0.007","12.219","0.008","14.081","0.008","80.601","0.014","72.761","0.013","62.091","0.013","1724.8","1.8","296","2","296","2","","","","","","","","5","P -1","-P 1","2","","","","- C17.5 H20.5 Cl1.5 N2 O3 -","- C17.5 H20.5 Cl1.5 N2 O3 -","- C70 H82 Cl6 N8 O12 -","4","2","","Kalshetti, Manojkumar G.; Argade, Narshinha P.","Total Synthesis of (±)/(+)-Subincanadine E and Determination of Absolute Configuration.","The Journal of organic chemistry","2017","82","20","11126","11133","10.1021/acs.joc.7b02122","","","0.71073","MoKα","","0.1577","0.0863","","","0.2226","0.2507","","","","","","1.311","","","","has coordinates","254431","2020-10-21","18:00:00",""
"4032940","13.2066","0.0004","13.9646","0.0004","10.3491","0.0003","90","","114.308","0.0011","90","","1739.42","0.09","296","","296","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C18 H26 N2 O3 S -","- C18 H26 N2 O3 S -","- C72 H104 N8 O12 S4 -","4","1","","Sugiura, Masaharu; Kashiwagi, Takeru; Ito, Mai; Kotani, Shunsuke; Nakajima, Makoto","Stereoselective Synthesis of Nitrogen-Containing Compounds from Enamines.","The Journal of organic chemistry","2017","82","20","10968","10979","10.1021/acs.joc.7b01923","","","0.71075","MoKα","","","0.0629","","","","0.2437","","","","","","1.01","","","","has coordinates","202712","2020-10-21","18:00:00",""
"4032941","9.8135","0.0005","14.7645","0.0008","16.0748","0.0009","90","","99.5803","0.0016","90","","2296.6","0.2","103","","103","","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C25 H34 N2 O2 S -","- C25 H34 N2 O2 S -","- C100 H136 N8 O8 S4 -","4","1","","Sugiura, Masaharu; Kashiwagi, Takeru; Ito, Mai; Kotani, Shunsuke; Nakajima, Makoto","Stereoselective Synthesis of Nitrogen-Containing Compounds from Enamines.","The Journal of organic chemistry","2017","82","20","10968","10979","10.1021/acs.joc.7b01923","","","0.71075","MoKα","","","0.0479","","","","0.1419","","","","","","1.007","","","","has coordinates","202712","2020-10-21","18:00:00",""
"4032942","10.5322","0.0005","17.1636","0.0008","12.8157","0.0007","90","","90.7235","0.0017","90","","2316.5","0.2","296","","296","","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C25 H34 N2 O2 S -","- C25 H34 N2 O2 S -","- C100 H136 N8 O8 S4 -","4","1","","Sugiura, Masaharu; Kashiwagi, Takeru; Ito, Mai; Kotani, Shunsuke; Nakajima, Makoto","Stereoselective Synthesis of Nitrogen-Containing Compounds from Enamines.","The Journal of organic chemistry","2017","82","20","10968","10979","10.1021/acs.joc.7b01923","","","0.71075","MoKα","","","0.0413","","","","0.1388","","","","","","1.001","","","","has coordinates","202712","2020-10-21","18:00:00",""
"4032943","13.986","0.005","4.9867","0.0017","18.623","0.008","90","","111.799","0.005","90","","1206","0.8","100","2","100","2","","","","","","","","7","P 1 2/c 1","-P 2yc","13","","","","- C11 H8 B Cl F2 N2 O2 -","- C11 H8 B Cl F2 N2 O2 -","- C44 H32 B4 Cl4 F8 N8 O8 -","4","1","","Sasano, Yoshifumi; Sato, Ryuma; Shigeta, Yasuteru; Yasuda, Nobuhiro; Maeda, Hiromitsu","H-Aggregated π-Systems Based on Disulfide-Linked Dimers of Dipyrrolyldiketone Boron Complexes.","The Journal of organic chemistry","2017","82","20","11166","11172","10.1021/acs.joc.7b02185","","","0.7824","Synchrotron","","0.1208","0.0872","","","0.2246","0.2622","","","","","","1.058","","","","has coordinates,has disorder","202716","2020-10-21","18:00:00",""
"4032944","8.544","0.003","15.711","0.005","10.064","0.003","90","","97.355","0.005","90","","1339.8","0.8","93","2","93","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C13 H11 B F2 N2 O3 S -","- C13 H11 B F2 N2 O3 S -","- C52 H44 B4 F8 N8 O12 S4 -","4","1","","Sasano, Yoshifumi; Sato, Ryuma; Shigeta, Yasuteru; Yasuda, Nobuhiro; Maeda, Hiromitsu","H-Aggregated π-Systems Based on Disulfide-Linked Dimers of Dipyrrolyldiketone Boron Complexes.","The Journal of organic chemistry","2017","82","20","11166","11172","10.1021/acs.joc.7b02185","","","1.54187","CuKα","","0.0375","0.036","","","0.1013","0.1021","","","","","","1.076","","","","has coordinates","202716","2020-10-21","18:00:00",""
"4032945","8.6359","0.0017","10.684","0.002","23.378","0.005","90","","90.516","0.009","90","","2156.9","0.7","93","2","93","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C25 H19 B F2 N2 O3 S -","- C25 H19 B F2 N2 O3 S -","- C100 H76 B4 F8 N8 O12 S4 -","4","1","","Sasano, Yoshifumi; Sato, Ryuma; Shigeta, Yasuteru; Yasuda, Nobuhiro; Maeda, Hiromitsu","H-Aggregated π-Systems Based on Disulfide-Linked Dimers of Dipyrrolyldiketone Boron Complexes.","The Journal of organic chemistry","2017","82","20","11166","11172","10.1021/acs.joc.7b02185","","","1.54187","CuKα","","0.0357","0.034","","","0.0913","0.0923","","","","","","1.025","","","","has coordinates","202716","2020-10-21","18:00:00",""
"4032946","30.4109","0.0014","4.9043","0.0003","18.0383","0.0009","90","","122.921","0.003","90","","2258.3","0.2","90","2","90","2","","","","","","","","7","C 1 2/c 1","-C 2yc","15","","","","- C11 H9 B F2 N2 O2 S -","- C11 H9 B F2 N2 O2 S -","- C88 H72 B8 F16 N16 O16 S8 -","8","1","","Sasano, Yoshifumi; Sato, Ryuma; Shigeta, Yasuteru; Yasuda, Nobuhiro; Maeda, Hiromitsu","H-Aggregated π-Systems Based on Disulfide-Linked Dimers of Dipyrrolyldiketone Boron Complexes.","The Journal of organic chemistry","2017","82","20","11166","11172","10.1021/acs.joc.7b02185","","","0.7813","Synchrotron","","0.0865","0.0433","","","0.0853","0.129","","","","","","1.178","","","","has coordinates","202716","2020-10-21","18:00:00",""
"4032947","9.624","0.004","11.522","0.005","12.61","0.006","109.022","0.005","112.19","0.005","98.651","0.007","1162.7","0.9","100","2","100","2","","","","","","","","7","P -1","-P 1","2","","","","- C22 H16 B2 F4 N4 O4 S2 -","- C22 H16 B2 F4 N4 O4 S2 -","- C44 H32 B4 F8 N8 O8 S4 -","2","1","","Sasano, Yoshifumi; Sato, Ryuma; Shigeta, Yasuteru; Yasuda, Nobuhiro; Maeda, Hiromitsu","H-Aggregated π-Systems Based on Disulfide-Linked Dimers of Dipyrrolyldiketone Boron Complexes.","The Journal of organic chemistry","2017","82","20","11166","11172","10.1021/acs.joc.7b02185","","","0.78291","Synchrotron","","0.2033","0.0555","","","0.1084","0.1761","","","","","","0.712","","","","has coordinates","202716","2020-10-21","18:00:00",""
"4032948","8.896","0.003","31.258","0.01","16.54","0.006","90","","95.79","0.005","90","","4576","3","100","2","100","2","","","","","","","","8","C 1 2/c 1","-C 2yc","15","","","","- C47 H34 B2 Cl2 F4 N4 O5 S2 -","- C47 H38 B2 Cl2 F4 N4 O6 S2 -","- C188 H152 B8 Cl8 F16 N16 O24 S8 -","4","0.5","","Sasano, Yoshifumi; Sato, Ryuma; Shigeta, Yasuteru; Yasuda, Nobuhiro; Maeda, Hiromitsu","H-Aggregated π-Systems Based on Disulfide-Linked Dimers of Dipyrrolyldiketone Boron Complexes.","The Journal of organic chemistry","2017","82","20","11166","11172","10.1021/acs.joc.7b02185","","","0.78291","Synchrotron","","0.2755","0.0983","","","0.2227","0.3156","","","","","","0.891","","","","has coordinates,has disorder","202716","2020-10-21","18:00:00",""
"4032949","12.0568","0.0008","12.3448","0.001","15.0292","0.0008","76.37","0.011","76.907","0.011","80.343","0.016","2101.9","0.3","93","2","93","2","","","","","","","","9","P -1","-P 1","2","","","","- C47 H34 B2 Br0 Cl2 F4 N4 O4 S2 -","- C47 H34 B2 Cl2 F4 N4 O4 S2 -","- C94 H68 B4 Cl4 F8 N8 O8 S4 -","2","1","","Sasano, Yoshifumi; Sato, Ryuma; Shigeta, Yasuteru; Yasuda, Nobuhiro; Maeda, Hiromitsu","H-Aggregated π-Systems Based on Disulfide-Linked Dimers of Dipyrrolyldiketone Boron Complexes.","The Journal of organic chemistry","2017","82","20","11166","11172","10.1021/acs.joc.7b02185","","","1.54187","CuKα","","0.0362","0.0315","","","0.0881","0.09","","","","","","1.073","","","","has coordinates","202716","2020-10-21","18:00:00",""
"4032950","10.3699","0.0003","17.3809","0.0005","12.7667","0.0003","90","","96.43","0.002","90","","2286.57","0.11","294","2","294.15","","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C23 H23 Cl N2 O6 -","- C23 H23 Cl N2 O6 -","- C92 H92 Cl4 N8 O24 -","4","1","","Liu, Yiyi; Li, Hengyu; Zhou, Xun; He, Zhengjie","P(NMe2)3-Mediated Reductive (1 + 4) Annulation Reaction of Isatins with Nitroalkenes: An Access to Spirooxindolyl Isoxazoline N-Oxides and Their Corresponding Isoxazolines.","The Journal of organic chemistry","2017","82","20","10997","11007","10.1021/acs.joc.7b01962","","x-ray","0.71073","MoKα","","0.0657","0.0533","","","0.1544","0.1643","","","","","","1.091","","","","has coordinates","202721","2020-10-21","18:00:00",""
"4032951","9.196","0.003","10.447","0.003","11.724","0.004","91.395","0.001","110.283","0.005","112.925","0.006","956.3","0.5","113","2","113","2","","","","","","","","4","P -1","-P 1","2","","","","- C21 H21 N2 O6 -","- C21 H20 N2 O6 -","- C42 H40 N4 O12 -","2","1","","Liu, Yiyi; Li, Hengyu; Zhou, Xun; He, Zhengjie","P(NMe2)3-Mediated Reductive (1 + 4) Annulation Reaction of Isatins with Nitroalkenes: An Access to Spirooxindolyl Isoxazoline N-Oxides and Their Corresponding Isoxazolines.","The Journal of organic chemistry","2017","82","20","10997","11007","10.1021/acs.joc.7b01962","","","0.71073","MoKα","","0.0355","0.0335","","","0.0919","0.0933","","","","","","0.933","","","","has coordinates","202721","2020-10-21","18:00:00",""
"4032952","39.587","0.005","39.587","0.005","9.49","0.003","90","","90","","120","","12880","5","296","2","296","2","","","","","","","","5","R -3 :H","-R 3","148","","","","- C24 H22 S2 Se4 Si2 -","- C24 H22 S2 Se4 Si2 -","- C432 H396 S36 Se72 Si36 -","18","1","","Xu, Wan; Wu, Longlong; Fang, Maohong; Ma, Zhiying; Shan, Zhen; Li, Chunli; Wang, Hua","Diseleno[2,3-b:3',2'-d]selenophene and Diseleno[2,3-b:3',2'-d] thiophene: Building Blocks for the Construction of [7]Helicenes.","The Journal of organic chemistry","2017","82","20","11192","11197","10.1021/acs.joc.7b01362","","","0.71073","MoKα","","0.0697","0.0366","","","0.077","0.0843","","","","","","1","","","","has coordinates","202725","2020-10-21","18:00:00",""
"4032953","6.4642","0.0019","20.855","0.006","27.927","0.008","90","","90.498","0.005","90","","3764.7","1.9","296","2","296","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C14 H20 Se3 Si2 -","- C14 H20 Se3 Si2 -","- C112 H160 Se24 Si16 -","8","2","","Xu, Wan; Wu, Longlong; Fang, Maohong; Ma, Zhiying; Shan, Zhen; Li, Chunli; Wang, Hua","Diseleno[2,3-b:3',2'-d]selenophene and Diseleno[2,3-b:3',2'-d] thiophene: Building Blocks for the Construction of [7]Helicenes.","The Journal of organic chemistry","2017","82","20","11192","11197","10.1021/acs.joc.7b01362","","","0.71073","MoKα","","0.1338","0.0577","","","0.1149","0.1307","","","","","","0.923","","","","has coordinates","202725","2020-10-21","18:00:00",""
"4032954","16.4144","0.0011","10.1288","0.0007","18.9016","0.0013","90","","114.719","0.001","90","","2854.6","0.3","296","2","296","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C24 H22 Se6 Si2 -","- C24 H22 Se6 Si2 -","- C96 H88 Se24 Si8 -","4","1","","Xu, Wan; Wu, Longlong; Fang, Maohong; Ma, Zhiying; Shan, Zhen; Li, Chunli; Wang, Hua","Diseleno[2,3-b:3',2'-d]selenophene and Diseleno[2,3-b:3',2'-d] thiophene: Building Blocks for the Construction of [7]Helicenes.","The Journal of organic chemistry","2017","82","20","11192","11197","10.1021/acs.joc.7b01362","","","0.71073","MoKα","","0.0611","0.0392","","","0.098","0.1035","","","","","","1.176","","","","has coordinates","202725","2020-10-21","18:00:00",""
"4032955","8.5868","0.0003","9.9563","0.0005","14.1824","0.0006","87.05","0.004","88.435","0.003","89.106","0.004","1210.31","0.09","293","2","293.15","","","","","","","","","6","P -1","-P 1","2","","","","- C25 H23 Cl2 N O3 S -","- C25 H23 Cl2 N O3 S -","- C50 H46 Cl4 N2 O6 S2 -","2","1","","Ren, Anni; Lang, Bo; Lin, Jialun; Lu, Ping; Wang, Yanguang","4-Diazoisochroman-3-imines: A Class of Metal Carbene Precursors for the Synthesis of Isochromene Derivatives.","The Journal of organic chemistry","2017","82","20","10953","10959","10.1021/acs.joc.7b01860","","","1.54184","CuKα","","0.08","0.0711","","","0.2006","0.2114","","","","","","1.059","","","","has coordinates","202723","2020-10-21","18:00:00",""
"4032956","8.3061","0.0005","15.8","0.001","16.4284","0.0011","96.424","0.006","101.261","0.006","103.543","0.006","2027.4","0.2","170","","170","","","","","","","","","5","P -1","-P 1","2","","","","- C25 H21 N O3 S -","- C25 H21 N O3 S -","- C100 H84 N4 O12 S4 -","4","2","","Ren, Anni; Lang, Bo; Lin, Jialun; Lu, Ping; Wang, Yanguang","4-Diazoisochroman-3-imines: A Class of Metal Carbene Precursors for the Synthesis of Isochromene Derivatives.","The Journal of organic chemistry","2017","82","20","10953","10959","10.1021/acs.joc.7b01860","","","0.71073","MoKα","","0.1123","0.0855","","","0.2199","0.2492","","","","","","1.057","","","","has coordinates","202723","2020-10-21","18:00:00",""
"4032957","8.5361","0.0008","9.5425","0.0009","12.0411","0.0009","81.946","0.007","83.715","0.007","69.347","0.009","906.82","0.15","293","2","293.15","","","","","","","","","5","P -1","-P 1","2","","","","- C20 H18 N2 O5 S -","- C20 H18 N2 O5 S -","- C40 H36 N4 O10 S2 -","2","1","","Ren, Anni; Lang, Bo; Lin, Jialun; Lu, Ping; Wang, Yanguang","4-Diazoisochroman-3-imines: A Class of Metal Carbene Precursors for the Synthesis of Isochromene Derivatives.","The Journal of organic chemistry","2017","82","20","10953","10959","10.1021/acs.joc.7b01860","","","0.71073","MoKα","","0.074","0.0513","","","0.1182","0.1401","","","","","","1.052","","","","has coordinates","202723","2020-10-21","18:00:00",""
"4032958","12.0438","0.0011","14.5042","0.0014","22.049","0.003","72.623","0.005","76.291","0.005","77.888","0.005","3530.8","0.7","150","2","150","2","","","","","","","","3","P -1","-P 1","2","Benzoxymethoxy Pillerene","","","- C81 H82 O10 -","- C81 H82 O10 -","- C162 H164 O20 -","2","1","","Al-Azemi, Talal F; Vinodh, Mickey; Alipour, Fatemeh H.; Mohamod, Abdirahman A.","Constitutional Isomers of Pentahydroxy-Functionalized Pillar[5]arenes: Synthesis, Characterization, and Crystal Structures.","The Journal of organic chemistry","2017","82","20","10945","10952","10.1021/acs.joc.7b01837","","","0.71075","MoKα","","0.2028","0.1038","","","0.2834","0.3483","","","","","","1.001","","","","has coordinates,has disorder","202715","2020-10-21","18:00:00",""
"4032959","12.791","0.004","20.978","0.007","14.779","0.004","90","","98.582","0.007","90","","3921","2","150","","150","","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","","","- C44 H48 O12 -","- C44 H48 O12 -","- C176 H192 O48 -","4","1","","Al-Azemi, Talal F; Vinodh, Mickey; Alipour, Fatemeh H.; Mohamod, Abdirahman A.","Constitutional Isomers of Pentahydroxy-Functionalized Pillar[5]arenes: Synthesis, Characterization, and Crystal Structures.","The Journal of organic chemistry","2017","82","20","10945","10952","10.1021/acs.joc.7b01837","","","0.71075","MoKα","","","0.0801","","","","0.232","","","","","","0.967","","","","has coordinates","202715","2020-10-21","18:00:00",""
"4032960","43.045","0.01","21.347","0.005","23.043","0.005","90","","104.773","0.007","90","","20474","8","150","2","150","","","","","","","","","3","C 1 2/c 1","-C 2yc","15","","","","- C110 H140 O10 -","- C110 H140 O10 -","- C880 H1120 O80 -","8","1","","Al-Azemi, Talal F; Vinodh, Mickey; Alipour, Fatemeh H.; Mohamod, Abdirahman A.","Constitutional Isomers of Pentahydroxy-Functionalized Pillar[5]arenes: Synthesis, Characterization, and Crystal Structures.","The Journal of organic chemistry","2017","82","20","10945","10952","10.1021/acs.joc.7b01837","","","0.71075","MoKα","","0.2489","0.148","","","0.3802","0.4289","","","","","","1.094","","","","has coordinates","202715","2020-10-21","18:00:00",""
"4032961","16.62","0.003","16.686","0.003","16.858","0.003","95.191","0.007","117.822","0.008","114.325","0.008","3528.1","1.2","150","2","150","2","","","","","","","","3","P -1","-P 1","2","","","","- C75 H110 O10 -","- C75 H110 O10 -","- C150 H220 O20 -","2","1","","Al-Azemi, Talal F; Vinodh, Mickey; Alipour, Fatemeh H.; Mohamod, Abdirahman A.","Constitutional Isomers of Pentahydroxy-Functionalized Pillar[5]arenes: Synthesis, Characterization, and Crystal Structures.","The Journal of organic chemistry","2017","82","20","10945","10952","10.1021/acs.joc.7b01837","","","0.71075","MoKα","","0.4213","0.1323","","","0.2936","0.4465","","","","","","0.888","","","","has coordinates,has disorder","202715","2020-10-21","18:00:00",""
"4032962","12.31","0.03","16.48","0.04","18.98","0.04","83.427","0.016","80.887","0.014","69.254","0.017","3548","14","150","","150","","","","","","","","","3","P -1","-P 1","2","","","","- C81 H84 O10 -","- C81 H84 O10 -","- C162 H168 O20 -","2","1","","Al-Azemi, Talal F; Vinodh, Mickey; Alipour, Fatemeh H.; Mohamod, Abdirahman A.","Constitutional Isomers of Pentahydroxy-Functionalized Pillar[5]arenes: Synthesis, Characterization, and Crystal Structures.","The Journal of organic chemistry","2017","82","20","10945","10952","10.1021/acs.joc.7b01837","","","0.71075","MoKα","","","0.0892","","","","0.3047","","","","","","1.018","","","","has coordinates","202715","2020-10-21","18:00:00",""
"4032963","14.289","0.003","23.102","0.006","20.977","0.006","90","","108.428","0.008","90","","6570","3","150","2","150","2","","","","","","","","3","P 1 21 1","P 2yb","4","","","","- C42 H46 O11 -","- C42 H46 O11 -","- C252 H276 O66 -","6","3","","Al-Azemi, Talal F; Vinodh, Mickey; Alipour, Fatemeh H.; Mohamod, Abdirahman A.","Constitutional Isomers of Pentahydroxy-Functionalized Pillar[5]arenes: Synthesis, Characterization, and Crystal Structures.","The Journal of organic chemistry","2017","82","20","10945","10952","10.1021/acs.joc.7b01837","","","0.71075","MoKα","","0.158","0.0925","","","0.2471","0.2924","","","","","","0.855","","","","has coordinates","202715","2020-10-21","18:00:00",""
"4032964","16.77","0.04","21.69","0.05","18.89","0.04","90","","93.48","0.04","90","","6858","3","150","","150","","","","","","","","","3","P 1 21 1","P 2yb","4","","","","- C164 H170 O24 -","- C164 H170 O24 -","- C328 H340 O48 -","2","1","","Al-Azemi, Talal F; Vinodh, Mickey; Alipour, Fatemeh H.; Mohamod, Abdirahman A.","Constitutional Isomers of Pentahydroxy-Functionalized Pillar[5]arenes: Synthesis, Characterization, and Crystal Structures.","The Journal of organic chemistry","2017","82","20","10945","10952","10.1021/acs.joc.7b01837","","","0.71075","MoKα","","","0.0751","","","","0.2118","","","","","","1.013","","","","has coordinates","202715","2020-10-21","18:00:00",""
"4032965","12.2178","0.001","15.0675","0.0014","20.9593","0.0017","78.186","0.006","85.869","0.006","67.284","0.005","3483.6","0.5","150","","150","","","","","","","","","4","P -1","-P 1","2","","","","- C82 H86 Cl2 O10 -","- C82 H86 Cl2 O10 -","- C164 H172 Cl4 O20 -","2","1","","Al-Azemi, Talal F; Vinodh, Mickey; Alipour, Fatemeh H.; Mohamod, Abdirahman A.","Constitutional Isomers of Pentahydroxy-Functionalized Pillar[5]arenes: Synthesis, Characterization, and Crystal Structures.","The Journal of organic chemistry","2017","82","20","10945","10952","10.1021/acs.joc.7b01837","","","0.71075","MoKα","","","0.1051","","","","0.3493","","","","","","1.293","","","","has coordinates","202715","2020-10-21","18:00:00",""
"4032966","14.89","0.008","18.123","0.008","21.671","0.01","81.371","0.006","82.134","0.009","87.707","0.013","5726","5","150","2","150","2","","","","","","","","4","P -1","-P 1","2","OctoxyBenzoxyPillerene_3","","","- C119 H158 Cl9 O10 -","- C119 H158 Cl9 O10 -","- C238 H316 Cl18 O20 -","2","1","","Al-Azemi, Talal F; Vinodh, Mickey; Alipour, Fatemeh H.; Mohamod, Abdirahman A.","Constitutional Isomers of Pentahydroxy-Functionalized Pillar[5]arenes: Synthesis, Characterization, and Crystal Structures.","The Journal of organic chemistry","2017","82","20","10945","10952","10.1021/acs.joc.7b01837","","","0.71075","MoKα","","0.1761","0.111","","","0.3038","0.3479","","","","","","1.042","","","","has coordinates","202715","2020-10-21","18:00:00",""
"4032967","15.204","0.005","11.261","0.004","11.977","0.004","90","","99.928","0.008","90","","2019.9","1.2","293","2","293","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C29 H21 N -","- C29 H21 N -","- C116 H84 N4 -","4","1","","Zhao, Yulei; Yuan, Yang; Wang, Xiaoyu; Li, Yanzhong","Synthesis of Polycyclic Benzo[b]indolo[3,2,1-de]acridines via Sequential Allenylation, Diels-Alder Cyclization, and Hydrogen Migration Reaction.","The Journal of organic chemistry","2017","82","20","11198","11205","10.1021/acs.joc.7b01614","","","0.71073","MoKα","","0.0593","0.0444","","","0.1108","0.1193","","","","","","1.032","","","","has coordinates","202726","2020-10-21","18:00:00",""
"4032968","9.15","0.003","13.424","0.004","15.319","0.004","90","","104.868","0.006","90","","1818.6","0.9","296","2","296","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C23 H20 F N O -","- C23 H20 F N O -","- C92 H80 F4 N4 O4 -","4","1","","Liu, Li; Bai, Shu-Hua; Li, Yang; Wang, Li-Xun; Hu, Yang; Sung, Hui-Ling; Li, Jian","Synthesis of 2,3-Diarylisoindolin-1-one by Copper-Catalyzed Cascade Annulation of 2-Formylbenzonitriles, Arenes, and Diaryliodonium Salts.","The Journal of organic chemistry","2017","82","20","11084","11090","10.1021/acs.joc.7b02035","","","0.71073","MoKα","","0.0632","0.0494","","","0.1443","0.1626","","","","","","1.029","","","","has coordinates","202713","2020-10-21","18:00:00",""
"4032969","8.439","0.002","22.732","0.006","12.15","0.003","90","","115.339","0.013","90","","2106.6","0.9","173","2","173","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C27 H26 N0 O3 -","- C27 H26 O3 -","- C108 H104 O12 -","4","1","","Liu, Li; Bai, Shu-Hua; Li, Yang; Wang, Li-Xun; Hu, Yang; Sung, Hui-Ling; Li, Jian","Synthesis of 2,3-Diarylisoindolin-1-one by Copper-Catalyzed Cascade Annulation of 2-Formylbenzonitriles, Arenes, and Diaryliodonium Salts.","The Journal of organic chemistry","2017","82","20","11084","11090","10.1021/acs.joc.7b02035","","","0.71073","MoKα","","0.1194","0.0794","","","0.2165","0.2501","","","","","","1.038","","","","has coordinates","202713","2020-10-21","18:00:00",""
"4032970","8.136","0.011","22.01","0.03","11.172","0.014","90","","106.04","0.02","90","","1923","4","296","2","296","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C22 H18 Br N O3 -","- C22 H18 Br N O3 -","- C88 H72 Br4 N4 O12 -","4","1","","Liu, Li; Bai, Shu-Hua; Li, Yang; Wang, Li-Xun; Hu, Yang; Sung, Hui-Ling; Li, Jian","Synthesis of 2,3-Diarylisoindolin-1-one by Copper-Catalyzed Cascade Annulation of 2-Formylbenzonitriles, Arenes, and Diaryliodonium Salts.","The Journal of organic chemistry","2017","82","20","11084","11090","10.1021/acs.joc.7b02035","","","0.71073","MoKα","","0.093","0.0456","","","0.1079","0.1302","","","","","","0.997","","","","has coordinates","202713","2020-10-21","18:00:00",""
"4032971","6.7473","0.0014","11.771","0.003","12.597","0.003","62.242","0.005","77.949","0.006","84.286","0.006","865.8","0.4","296","2","296","2","","","","","","","","5","P -1","-P 1","2","","","","- C21 H14 Br N O3 -","- C21 H14 Br N O3 -","- C42 H28 Br2 N2 O6 -","2","1","","Liu, Li; Bai, Shu-Hua; Li, Yang; Wang, Li-Xun; Hu, Yang; Sung, Hui-Ling; Li, Jian","Synthesis of 2,3-Diarylisoindolin-1-one by Copper-Catalyzed Cascade Annulation of 2-Formylbenzonitriles, Arenes, and Diaryliodonium Salts.","The Journal of organic chemistry","2017","82","20","11084","11090","10.1021/acs.joc.7b02035","","","0.71073","MoKα","","0.0766","0.0477","","","0.1414","0.1943","","","","","","1.019","","","","has coordinates","202713","2020-10-21","18:00:00",""
"4032972","8.8342","0.0015","10.3235","0.0018","11.2424","0.0019","90.781","0.004","107.441","0.004","101.41","0.004","955.9","0.3","296","2","296","2","","","","","","","","5","P -1","-P 1","2","","","","- C25 H18 Br N O -","- C25 H18 Br N O -","- C50 H36 Br2 N2 O2 -","2","1","","Liu, Li; Bai, Shu-Hua; Li, Yang; Wang, Li-Xun; Hu, Yang; Sung, Hui-Ling; Li, Jian","Synthesis of 2,3-Diarylisoindolin-1-one by Copper-Catalyzed Cascade Annulation of 2-Formylbenzonitriles, Arenes, and Diaryliodonium Salts.","The Journal of organic chemistry","2017","82","20","11084","11090","10.1021/acs.joc.7b02035","","","0.71073","MoKα","","0.0577","0.0435","","","0.129","0.1723","","","","","","1.013","","","","has coordinates","202713","2020-10-21","18:00:00",""
"4032973","6.3872","0.0005","13.6568","0.0009","18.5349","0.0012","90","","90","","90","","1616.8","0.2","100","2","100","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C16 H26 O2 Si -","- C16 H26 O2 Si -","- C64 H104 O8 Si4 -","4","1","","Pantin, Mathilde; Hubert, Jonathan G.; Söhnel, Tilo; Brimble, Margaret A.; Furkert, Daniel P.","Stereochemical Characterization of Polyketide Stereotriads Synthesized via Hydrogen-Mediated Asymmetric syn-Crotylation.","The Journal of organic chemistry","2017","82","20","11225","11229","10.1021/acs.joc.7b01820","","x-ray","0.71073","MoKα","","0.0821","0.0462","","","0.0819","0.0916","","","","","","0.982","","","","has coordinates","202717","2020-10-21","18:00:00",""
"4032974","6.923","0.0012","9.2252","0.0016","13.527","0.002","85.237","0.007","84.232","0.007","76.806","0.007","835.2","0.2","100","2","100","2","","","","","","","","4","P 1","P 1","1","","","","- C16 H26 O2 Si -","- C16 H26 O2 Si -","- C32 H52 O4 Si2 -","2","2","","Pantin, Mathilde; Hubert, Jonathan G.; Söhnel, Tilo; Brimble, Margaret A.; Furkert, Daniel P.","Stereochemical Characterization of Polyketide Stereotriads Synthesized via Hydrogen-Mediated Asymmetric syn-Crotylation.","The Journal of organic chemistry","2017","82","20","11225","11229","10.1021/acs.joc.7b01820","","x-ray","0.71073","MoKα","","0.0593","0.0472","","","0.1167","0.1254","","","","","","0.998","","","","has coordinates","202717","2020-10-21","18:00:00",""
"4032975","16.5149","0.0011","14.6947","0.001","9.2256","0.0006","90","","97.975","0.002","90","","2217.2","0.3","293","2","293","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C24 H32 O4 Si -","- C24 H32 O4 Si -","- C96 H128 O16 Si4 -","4","1","","Basak, Shyam; Mal, Dipakranjan","Applications of [4+2] Anionic Annulation and Carbonyl-Ene Reaction in the Synthesis of Anthraquinones, Tetrahydroanthraquinones, and Pyranonaphthoquinones.","The Journal of organic chemistry","2017","82","20","11035","11051","10.1021/acs.joc.7b01987","","","0.71073","MoKα","","0.0757","0.0597","","","0.1648","0.1822","","","","","","1.086","","","","has coordinates","202731","2020-10-21","18:00:00",""
"4032976","11.5351","0.0005","16.0352","0.0007","11.5477","0.0005","90","","116.978","0.003","90","","1903.52","0.15","296","2","296","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C16 H22 F2 N2 O5 S -","- C16 H22 F2 N2 O5 S -","- C64 H88 F8 N8 O20 S4 -","4","1","","Soley, Jacob; Chiu, Edmond; Chung, Ryan; Green, Jeremy; Hein, Jason E.; Taylor, Scott D.","Synthesis of β-Ketosulfonamides Derived from Amino Acids and Their Conversion to β-Keto-α,α-difluorosulfonamides via Electrophilic Fluorination.","The Journal of organic chemistry","2017","82","20","11157","11165","10.1021/acs.joc.7b02179","","","0.71073","MoKα","","0.1869","0.0605","","","0.0771","0.094","","","","","","0.992","","","","has coordinates","202729","2020-10-21","18:00:00",""
"4032977","17.635","0.004","13.489","0.003","18.963","0.004","90","0.03","115.43","0.03","90","0.03","4073.8","1.9","200","2","200","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C24 H18 F5 N S -","- C24 H18 F5 N S -","- C192 H144 F40 N8 S8 -","8","1","","Gautam, Prabhat; Yu, Craig P.; Zhang, Guoxian; Hillier, Victoria E.; Chan, Julian M. W.","Pulling with the Pentafluorosulfanyl Acceptor in Push-Pull Dyes.","The Journal of organic chemistry","2017","82","20","11008","11020","10.1021/acs.joc.7b01972","","","0.71073","MoKα","","0.1152","0.0554","","","0.132","0.1758","","","","","","1.042","","","","has coordinates","202720","2020-10-21","18:00:00",""
"4032978","26.646","0.002","8.0632","0.0007","22.2653","0.0018","90","","113.291","0.002","90","","4393.9","0.6","200","2","200","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C26 H20 F5 N S -","- C26 H20 F5 N S -","- C208 H160 F40 N8 S8 -","8","1","","Gautam, Prabhat; Yu, Craig P.; Zhang, Guoxian; Hillier, Victoria E.; Chan, Julian M. W.","Pulling with the Pentafluorosulfanyl Acceptor in Push-Pull Dyes.","The Journal of organic chemistry","2017","82","20","11008","11020","10.1021/acs.joc.7b01972","","","0.71073","MoKα","","0.101","0.049","","","0.1218","0.1622","","","","","","1.051","","","","has coordinates,has disorder","202720","2020-10-21","18:00:00",""
"4032979","25.9225","0.0019","8.1786","0.0006","22.3161","0.0017","90","","112.605","0.001","90","","4367.8","0.6","200","2","200","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C26 H18 F5 N S -","- C26 H18 F5 N S -","- C208 H144 F40 N8 S8 -","8","1","","Gautam, Prabhat; Yu, Craig P.; Zhang, Guoxian; Hillier, Victoria E.; Chan, Julian M. W.","Pulling with the Pentafluorosulfanyl Acceptor in Push-Pull Dyes.","The Journal of organic chemistry","2017","82","20","11008","11020","10.1021/acs.joc.7b01972","","","0.71073","MoKα","","0.0806","0.0474","","","0.1074","0.1254","","","","","","1.016","","","","has coordinates","202720","2020-10-21","18:00:00",""
"4032980","53.283","0.019","10.846","0.004","9.606","0.004","90","","91.686","0.005","90","","5549","4","200","2","200","2","","","","","","","","5","C 1 c 1","C -2yc","9","","","","- C34 H22 F5 N S -","- C34 H22 F5 N S -","- C272 H176 F40 N8 S8 -","8","2","","Gautam, Prabhat; Yu, Craig P.; Zhang, Guoxian; Hillier, Victoria E.; Chan, Julian M. W.","Pulling with the Pentafluorosulfanyl Acceptor in Push-Pull Dyes.","The Journal of organic chemistry","2017","82","20","11008","11020","10.1021/acs.joc.7b01972","","","0.71073","MoKα","","0.1922","0.0816","","","0.1684","0.2232","","","","","","1.016","","","","has coordinates","202720","2020-10-21","18:00:00",""
"4032981","51.849","0.009","10.9446","0.0018","9.8186","0.0015","90","","91.817","0.012","90","","5568.9","1.6","200","2","200","2","","","","","","","","5","C 1 c 1","C -2yc","9","","","","- C34 H26 F5 N S -","- C34 H26 F5 N S -","- C272 H208 F40 N8 S8 -","8","2","","Gautam, Prabhat; Yu, Craig P.; Zhang, Guoxian; Hillier, Victoria E.; Chan, Julian M. W.","Pulling with the Pentafluorosulfanyl Acceptor in Push-Pull Dyes.","The Journal of organic chemistry","2017","82","20","11008","11020","10.1021/acs.joc.7b01972","","","0.71073","MoKα","","0.1762","0.1","","","0.263","0.3137","","","","","","1.041","","","","has coordinates,has disorder","202720","2020-10-21","18:00:00",""
"4032982","9.7623","0.0016","12.653","0.002","13.845","0.002","69.164","0.002","78.669","0.002","84.175","0.002","1566.2","0.4","200","2","200","2","","","","","","","","5","P -1","-P 1","2","","","","- C32 H20 F5 N S2 -","- C32 H20 F5 N S2 -","- C64 H40 F10 N2 S4 -","2","1","","Gautam, Prabhat; Yu, Craig P.; Zhang, Guoxian; Hillier, Victoria E.; Chan, Julian M. W.","Pulling with the Pentafluorosulfanyl Acceptor in Push-Pull Dyes.","The Journal of organic chemistry","2017","82","20","11008","11020","10.1021/acs.joc.7b01972","","","0.71073","MoKα","","0.1114","0.0532","","","0.1177","0.1437","","","","","","1.009","","","","has coordinates","202720","2020-10-21","18:00:00",""
"4032983","17.456","0.002","9.1464","0.0009","7.771","0.0011","90","","97.656","0.012","90","","1229.7","0.3","293","2","293","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C16 H12 N2 -","- C16 H12 N2 -","- C64 H48 N8 -","4","1","","Wu, Ting; Chen, Min; Yang, Yuzhu","Synthesis of Indolizines via Palladium Catalyzed Annulation of Propargyl Carbonates and 2-(Pyridin-2-yl)acetonitrile Derivatives.","The Journal of organic chemistry","2017","82","20","11304","11309","10.1021/acs.joc.7b02278","","","0.71073","MoKα","","0.0906","0.0533","","","0.1098","0.1284","","","","","","1.038","","","","has coordinates","255805","2020-10-21","18:00:00",""
"4032984","9.919","0.0009","10.0507","0.0009","16.6196","0.0018","90","","97.173","0.008","90","","1643.9","0.3","295","","295","","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C22 H16 N2 -","- C22 H16 N2 -","- C88 H64 N8 -","4","1","","Wu, Ting; Chen, Min; Yang, Yuzhu","Synthesis of Indolizines via Palladium Catalyzed Annulation of Propargyl Carbonates and 2-(Pyridin-2-yl)acetonitrile Derivatives.","The Journal of organic chemistry","2017","82","20","11304","11309","10.1021/acs.joc.7b02278","","x-ray","0.71073","MoKα","","0.0861","0.0512","","","0.1088","0.1278","","","","","","1.044","","","","has coordinates","255805","2020-10-21","18:00:00",""
"4032985","11.1863","0.0005","11.1863","0.0005","6.106","0.0003","90","","90","","120","","661.7","0.05","100","","100","","","","","","","","","3","P 32","P 32","145","","","","- C10 H12 O2 -","- C10 H12 O2 -","- C30 H36 O6 -","3","1","","Faggyas, Réka J; Calder, Ewen D. D.; Wilson, Claire; Sutherland, Andrew","One-Pot Asymmetric Synthesis of Alkylidene 1-Alkylindan-1-ols Using Brønsted Acid and Palladium Catalysis.","The Journal of organic chemistry","2017","82","21","11585","11593","10.1021/acs.joc.7b02287","","","1.54178","CuKα","","0.028","0.0276","","","0.0698","0.07","","","","","","1.031","","","","has coordinates","202751","2020-10-21","18:00:00",""
"4032986","7.7296","0.0003","7.7296","0.0003","18.3472","0.0009","90","","90","","120","","949.32","0.07","290","","290","","","","","","","","","4","P 32","P 32","145","","","","- C14 H19 N O2 -","- C14 H19 N O2 -","- C42 H57 N3 O6 -","3","1","","Faggyas, Réka J; Calder, Ewen D. D.; Wilson, Claire; Sutherland, Andrew","One-Pot Asymmetric Synthesis of Alkylidene 1-Alkylindan-1-ols Using Brønsted Acid and Palladium Catalysis.","The Journal of organic chemistry","2017","82","21","11585","11593","10.1021/acs.joc.7b02287","","","1.54178","CuKα","","0.0309","0.0307","","","0.08","0.0801","","","","","","0.986","","","","has coordinates","202751","2020-10-21","18:00:00",""
"4032987","9.3182","0.0004","9.6671","0.0005","13.948","0.0007","71.774","0.003","71.026","0.003","61.633","0.003","1026.41","0.09","200","2","200","2","","","","","","","","5","P -1","-P 1","2","","","","- C23 H27 N O3 S -","- C23 H27 N O3 S -","- C46 H54 N2 O6 S2 -","2","1","","Tung, Po-Ting; Zhong, Chang-Zhi; Chien, Tzu-Chiang; Yeh, Ming-Chang P","Synthesis of Spirolactams and Fused Bicyclic Lactams via Acid-Promoted Cyclolactamization of (Ethynyl(tosyl)amino)methyl-Tethered Cyclohex-2-enols.","The Journal of organic chemistry","2017","82","21","11543","11557","10.1021/acs.joc.7b02158","","","0.71073","MoKα","","0.0439","0.0392","","","0.1048","0.1105","","","","","","0.887","","","","has coordinates","202756","2020-10-21","18:00:00",""
"4032988","11.726","0.006","25.881","0.012","6.436","0.003","90","","90","","90","","1953.2","1.6","200","2","200","2","","","","","","","","6","P n a 21","P 2c -2n","33","","","","- C22 H24 F N O3 S -","- C22 H24 F N O3 S -","- C88 H96 F4 N4 O12 S4 -","4","1","","Tung, Po-Ting; Zhong, Chang-Zhi; Chien, Tzu-Chiang; Yeh, Ming-Chang P","Synthesis of Spirolactams and Fused Bicyclic Lactams via Acid-Promoted Cyclolactamization of (Ethynyl(tosyl)amino)methyl-Tethered Cyclohex-2-enols.","The Journal of organic chemistry","2017","82","21","11543","11557","10.1021/acs.joc.7b02158","","","0.71073","MoKα","","0.0681","0.0467","","","0.1125","0.1282","","","","","","0.873","","","","has coordinates","202756","2020-10-21","18:00:00",""
"4032989","10.3792","0.0008","21.1918","0.0016","10.5653","0.0008","90","","116.235","0.002","90","","2084.5","0.3","200","2","200","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C22 H24 Cl N O3 S -","- C22 H24 Cl N O3 S -","- C88 H96 Cl4 N4 O12 S4 -","4","1","","Tung, Po-Ting; Zhong, Chang-Zhi; Chien, Tzu-Chiang; Yeh, Ming-Chang P","Synthesis of Spirolactams and Fused Bicyclic Lactams via Acid-Promoted Cyclolactamization of (Ethynyl(tosyl)amino)methyl-Tethered Cyclohex-2-enols.","The Journal of organic chemistry","2017","82","21","11543","11557","10.1021/acs.joc.7b02158","","","0.71073","MoKα","","0.0591","0.0437","","","0.1109","0.1194","","","","","","1.037","","","","has coordinates","202756","2020-10-21","18:00:00",""
"4032990","8.1794","0.0007","33.379","0.003","7.782","0.0007","90","","104.036","0.004","90","","2061.2","0.3","200","2","200","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C23 H25 N O4 S -","- C23 H25 N O4 S -","- C92 H100 N4 O16 S4 -","4","1","","Tung, Po-Ting; Zhong, Chang-Zhi; Chien, Tzu-Chiang; Yeh, Ming-Chang P","Synthesis of Spirolactams and Fused Bicyclic Lactams via Acid-Promoted Cyclolactamization of (Ethynyl(tosyl)amino)methyl-Tethered Cyclohex-2-enols.","The Journal of organic chemistry","2017","82","21","11543","11557","10.1021/acs.joc.7b02158","","","0.71073","MoKα","","0.0666","0.0481","","","0.1215","0.1325","","","","","","1.01","","","","has coordinates","202756","2020-10-21","18:00:00",""
"4032991","13.4105","0.0008","8.0327","0.0004","18.4137","0.0011","90","","102.93","0.002","90","","1933.28","0.19","200","2","200","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C22 H23 N O3 S -","- C22 H23 N O3 S -","- C88 H92 N4 O12 S4 -","4","1","","Tung, Po-Ting; Zhong, Chang-Zhi; Chien, Tzu-Chiang; Yeh, Ming-Chang P","Synthesis of Spirolactams and Fused Bicyclic Lactams via Acid-Promoted Cyclolactamization of (Ethynyl(tosyl)amino)methyl-Tethered Cyclohex-2-enols.","The Journal of organic chemistry","2017","82","21","11543","11557","10.1021/acs.joc.7b02158","","","0.71073","MoKα","","0.0818","0.0568","","","0.1171","0.1294","","","","","","1.035","","","","has coordinates","202756","2020-10-21","18:00:00",""
"4032992","13.0445","0.0006","7.8561","0.0004","20.2474","0.0012","90","","107.757","0.002","90","","1976.08","0.18","200","2","200","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C22 H22 Cl N O3 S -","- C22 H22 Cl N O3 S -","- C88 H88 Cl4 N4 O12 S4 -","4","1","","Tung, Po-Ting; Zhong, Chang-Zhi; Chien, Tzu-Chiang; Yeh, Ming-Chang P","Synthesis of Spirolactams and Fused Bicyclic Lactams via Acid-Promoted Cyclolactamization of (Ethynyl(tosyl)amino)methyl-Tethered Cyclohex-2-enols.","The Journal of organic chemistry","2017","82","21","11543","11557","10.1021/acs.joc.7b02158","","","0.71073","MoKα","","0.0387","0.0341","","","0.0921","0.0966","","","","","","1.048","","","","has coordinates","202756","2020-10-21","18:00:00",""
"4032993","10.413","0.0007","10.5191","0.0007","12.1153","0.0006","96.996","0.005","115.161","0.006","109.448","0.006","1077.34","0.15","293","","293","","","","","","","","","4","P -1","-P 1","2","","","","- C27 H22 N2 O3 -","- C27 H22 N2 O3 -","- C54 H44 N4 O6 -","2","1","","Zhang, Bing; Wang, Tao; Zhang, Zunting","Gold-Catalyzed Synthesis of 1-(Furan-3-yl)-1,2-diones.","The Journal of organic chemistry","2017","82","21","11644","11654","10.1021/acs.joc.7b01997","","","1.54178","CuKα","","0.0474","0.0412","","","0.1159","0.122","","","","","","1.059","","","","has coordinates","204142","2020-10-21","18:00:00",""
"4032994","20.693","0.003","36.935","0.001","23.506","0.002","90","","107.018","0.003","90","","17179","3","100","2","100","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C163 H245.65 N16 O19.5 -","- C163 H245.65 N16 O19.5 -","- C652 H982.6 N64 O78 -","4","1","","Teixeira, Filipa A.; Marcos, Paula M.; Ascenso, José R; Brancatelli, Giovanna; Hickey, Neal; Geremia, Silvano","Selective Binding of Spherical and Linear Anions by Tetraphenyl(thio)urea-Based Dihomooxacalix[4]arene Receptors.","The Journal of organic chemistry","2017","82","21","11383","11390","10.1021/acs.joc.7b01801","","","0.85","","","0.1481","0.1389","","","0.3624","0.3705","","","","","","1.062","","","","has coordinates,has disorder","202744","2020-10-21","18:00:00",""
"4032995","8.0101","0.0002","19.8721","0.0005","7.4121","0.0002","90","","111.141","0.001","90","","1100.43","0.05","173","","173","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C10 H5 Cl3 N2 O -","- C10 H5 Cl3 N2 O -","- C40 H20 Cl12 N8 O4 -","4","1","","Takahashi, Yuka; Ikeda, Hirotaka; Kanase, Yuki; Makino, Kosho; Tabata, Hidetsugu; Oshitari, Tetsuta; Inagaki, Satoshi; Otani, Yuko; Natsugari, Hideaki; Takahashi, Hideyo; Ohwada, Tomohiko","Elucidation of the E-Amide Preference of N-Acyl Azoles.","The Journal of organic chemistry","2017","82","21","11370","11382","10.1021/acs.joc.7b01759","","","1.54187","CuKα","","0.0529","0.0383","","","0.0928","0.1091","","","","","","1.074","","","","has coordinates","202755","2020-10-21","18:00:00",""
"4032996","7.4103","0.0003","8.3251","0.0003","9.0266","0.0003","86.17","0.002","83.778","0.002","80.605","0.003","545.47","0.04","173","","173","","","","","","","","","5","P -1","-P 1","2","","","","- C9 H4 Cl3 N3 O -","- C9 H4 Cl3 N3 O -","- C18 H8 Cl6 N6 O2 -","2","1","","Takahashi, Yuka; Ikeda, Hirotaka; Kanase, Yuki; Makino, Kosho; Tabata, Hidetsugu; Oshitari, Tetsuta; Inagaki, Satoshi; Otani, Yuko; Natsugari, Hideaki; Takahashi, Hideyo; Ohwada, Tomohiko","Elucidation of the E-Amide Preference of N-Acyl Azoles.","The Journal of organic chemistry","2017","82","21","11370","11382","10.1021/acs.joc.7b01759","","","1.54187","CuKα","","0.0689","0.0498","","","0.0991","0.115","","","","","","1.012","","","","has coordinates","202755","2020-10-21","18:00:00",""
"4032997","41.9318","0.0018","10.6612","0.0005","9.9175","0.0004","90","","90","","90","","4433.6","0.3","173","","173","","","","","","","","","5","F d d 2","F 2 -2d","43","","","","- C9 H4 Cl3 N3 O -","- C9 H4 Cl3 N3 O -","- C144 H64 Cl48 N48 O16 -","16","1","","Takahashi, Yuka; Ikeda, Hirotaka; Kanase, Yuki; Makino, Kosho; Tabata, Hidetsugu; Oshitari, Tetsuta; Inagaki, Satoshi; Otani, Yuko; Natsugari, Hideaki; Takahashi, Hideyo; Ohwada, Tomohiko","Elucidation of the E-Amide Preference of N-Acyl Azoles.","The Journal of organic chemistry","2017","82","21","11370","11382","10.1021/acs.joc.7b01759","","","1.54187","CuKα","","0.0555","0.0412","","","0.0865","0.0989","","","","","","1.01","","","","has coordinates","202755","2020-10-21","18:00:00",""
"4032998","7.42034","0.00013","21.1494","0.0004","7.77399","0.00015","90","","90.237","0.0012","90","","1220.01","0.04","173","","173","","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C11 H7 Cl3 N2 O -","- C11 H7 Cl3 N2 O -","- C44 H28 Cl12 N8 O4 -","4","1","","Takahashi, Yuka; Ikeda, Hirotaka; Kanase, Yuki; Makino, Kosho; Tabata, Hidetsugu; Oshitari, Tetsuta; Inagaki, Satoshi; Otani, Yuko; Natsugari, Hideaki; Takahashi, Hideyo; Ohwada, Tomohiko","Elucidation of the E-Amide Preference of N-Acyl Azoles.","The Journal of organic chemistry","2017","82","21","11370","11382","10.1021/acs.joc.7b01759","","","1.54187","CuKα","","0.0427","0.0346","","","0.0863","0.1","","","","","","1.056","","","","has coordinates","202755","2020-10-21","18:00:00",""
"4032999","8.1387","0.0003","9.4496","0.0003","20.2855","0.0008","90","","101.92","0.002","90","","1526.47","0.1","173","","173","","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C16 H9 Cl3 N2 O -","- C16 H9 Cl3 N2 O -","- C64 H36 Cl12 N8 O4 -","4","1","","Takahashi, Yuka; Ikeda, Hirotaka; Kanase, Yuki; Makino, Kosho; Tabata, Hidetsugu; Oshitari, Tetsuta; Inagaki, Satoshi; Otani, Yuko; Natsugari, Hideaki; Takahashi, Hideyo; Ohwada, Tomohiko","Elucidation of the E-Amide Preference of N-Acyl Azoles.","The Journal of organic chemistry","2017","82","21","11370","11382","10.1021/acs.joc.7b01759","","","1.54187","CuKα","","0.1377","0.0737","","","0.1379","0.1931","","","","","","1.073","","","","has coordinates","202755","2020-10-21","18:00:00",""
"4033000","6.79356","0.00016","8.7199","0.0002","11.4031","0.0003","83.3108","0.0015","77.0843","0.0015","85.4068","0.0014","652.92","0.03","173","","173","","","","","","","","","5","P -1","-P 1","2","","","","- C12 H9 Cl3 N2 O -","- C12 H9 Cl3 N2 O -","- C24 H18 Cl6 N4 O2 -","2","1","","Takahashi, Yuka; Ikeda, Hirotaka; Kanase, Yuki; Makino, Kosho; Tabata, Hidetsugu; Oshitari, Tetsuta; Inagaki, Satoshi; Otani, Yuko; Natsugari, Hideaki; Takahashi, Hideyo; Ohwada, Tomohiko","Elucidation of the E-Amide Preference of N-Acyl Azoles.","The Journal of organic chemistry","2017","82","21","11370","11382","10.1021/acs.joc.7b01759","","","1.54187","CuKα","","0.1638","0.0836","","","0.1459","0.209","","","","","","1.352","","","","has coordinates","202755","2020-10-21","18:00:00",""
"4033001","11.8833","0.0002","13.2072","0.0002","14.4036","0.0003","65.5529","0.001","74.6958","0.0009","85.3427","0.0011","1983.91","0.06","173","","173","","","","","","","","","5","P -1","-P 1","2","","","","- C22 H13 Cl3 N2 O -","- C22 H13 Cl3 N2 O -","- C88 H52 Cl12 N8 O4 -","4","2","","Takahashi, Yuka; Ikeda, Hirotaka; Kanase, Yuki; Makino, Kosho; Tabata, Hidetsugu; Oshitari, Tetsuta; Inagaki, Satoshi; Otani, Yuko; Natsugari, Hideaki; Takahashi, Hideyo; Ohwada, Tomohiko","Elucidation of the E-Amide Preference of N-Acyl Azoles.","The Journal of organic chemistry","2017","82","21","11370","11382","10.1021/acs.joc.7b01759","","","1.54187","CuKα","","","0.0694","","","","0.2375","","","","","","1.845","","","","has coordinates","202755","2020-10-21","18:00:00",""
"4033002","10.261","0.005","10.261","0.005","18.417","0.005","90","0.005","90","0.005","90","0.005","1939.1","1.4","293","2","293","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","rk","","","- C25 H18 N2 S -","- C25 H18 N2 S -","- C100 H72 N8 S4 -","4","1","","Kumar, Ritush; Asthana, Mrityunjaya; Singh, Radhey M.","Pd-Catalyzed One-Pot Stepwise Synthesis of Benzo[b][1,6]naphthyridines from 2-Chloroquinoline-3-carbonitriles Using Sulfur and Amines As Nucleophiles.","The Journal of organic chemistry","2017","82","21","11531","11542","10.1021/acs.joc.7b02147","","","0.71073","MoKα","","0.0887","0.0529","","","0.1265","0.152","","","","","","0.915","","","","has coordinates","202758","2020-10-21","18:00:00",""
"4033003","19.569","0.005","7.808","0.005","24.645","0.005","90","0.005","95.082","0.005","90","0.005","3751","3","293","2","293","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C23 H21 N3 O2 -","- C23 H21 N3 O2 -","- C184 H168 N24 O16 -","8","2","","Kumar, Ritush; Asthana, Mrityunjaya; Singh, Radhey M.","Pd-Catalyzed One-Pot Stepwise Synthesis of Benzo[b][1,6]naphthyridines from 2-Chloroquinoline-3-carbonitriles Using Sulfur and Amines As Nucleophiles.","The Journal of organic chemistry","2017","82","21","11531","11542","10.1021/acs.joc.7b02147","","","0.71073","MoKα","","0.1331","0.0816","","","0.2041","0.2416","","","","","","1.053","","","","has coordinates","250444","2020-10-21","18:00:00",""
"4033004","9.405","0.015","9.59","0.02","9.93","0.013","76.25","0.16","85.06","0.12","86.46","0.16","866","3","293","2","293","2","","","","","","","","3","P 1","P 1","1","","","","- C21 H19 N3 -","- C21 H19 N3 -","- C42 H38 N6 -","2","2","","Kumar, Ritush; Asthana, Mrityunjaya; Singh, Radhey M.","Pd-Catalyzed One-Pot Stepwise Synthesis of Benzo[b][1,6]naphthyridines from 2-Chloroquinoline-3-carbonitriles Using Sulfur and Amines As Nucleophiles.","The Journal of organic chemistry","2017","82","21","11531","11542","10.1021/acs.joc.7b02147","","","0.71073","MoKα","","0.0845","0.0514","","","0.0545","0.1773","","","","","","0.983","","","","has coordinates","202758","2020-10-21","18:00:00",""
"4033005","14.2174","0.0005","5.7053","0.0002","31.5369","0.0011","90","","90","","90","","2558.1","0.16","296","2","296","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C14 H11 Br N2 O2 -","- C14 H11 Br N2 O2 -","- C112 H88 Br8 N16 O16 -","8","1","","Chen, Yu-Feng; Chen, Jing; Lin, Li-Jen; Chuang, Gary Jing","Synthesis of Azoxybenzenes by Reductive Dimerization of Nitrosobenzene.","The Journal of organic chemistry","2017","82","21","11626","11630","10.1021/acs.joc.7b01887","","","0.71073","MoKα","","0.0383","0.0267","","","0.067","0.0952","","","","","","1.176","","","","has coordinates","202762","2020-10-21","18:00:00",""
"4033006","11.9896","0.0014","8.0336","0.0009","14.0539","0.0016","90","","98.25","0.002","90","","1339.7","0.3","296","2","296","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C15 H11 F2 N O4 -","- C15 H11 F2 N O4 -","- C60 H44 F8 N4 O16 -","4","1","","Li, Jiaheng; Xu, Cong; Wei, Na; Wang, Mang","Synthesis of 2,2-Difluorinated 4-Isoflavanols/4-Thioisoflavanols via a Base-Catalyzed [4 + 2] Annulation Reaction of gem-Difluoroolefins.","The Journal of organic chemistry","2017","82","21","11348","11357","10.1021/acs.joc.7b01635","","","0.71073","MoKα","","0.055","0.044","","","0.1129","0.1207","","","","","","1.037","","","","has coordinates","202746","2020-10-21","18:00:00",""
"4033007","15.5352","0.0011","7.2602","0.0005","23.4507","0.0017","90","","90","","90","","2645","0.3","296","2","296","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C14 H10 Br N3 O -","- C14 H10 Br N3 O -","- C112 H80 Br8 N24 O8 -","8","1","","Chandrasekhar, Attoor; Sankararaman, Sethuraman","Selective Synthesis of 3-Arylbenzo-1,2,3-triazin-4(3H)-ones and 1-Aryl-(1H)-benzo-1,2,3-triazoles from 1,3-Diaryltriazenes through Pd(0) Catalyzed Annulation Reactions.","The Journal of organic chemistry","2017","82","21","11487","11493","10.1021/acs.joc.7b02023","","","0.71073","MoKα","","0.0855","0.0447","","","0.0953","0.1077","","","","","","1.045","","","","has coordinates","202750","2020-10-21","18:00:00",""
"4033008","6.8573","0.0006","11.8742","0.001","19.7672","0.0019","90","","90","","90","","1609.5","0.2","296","2","296","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C18 H19 N3 O -","- C18 H19 N3 O -","- C72 H76 N12 O4 -","4","1","","Chandrasekhar, Attoor; Sankararaman, Sethuraman","Selective Synthesis of 3-Arylbenzo-1,2,3-triazin-4(3H)-ones and 1-Aryl-(1H)-benzo-1,2,3-triazoles from 1,3-Diaryltriazenes through Pd(0) Catalyzed Annulation Reactions.","The Journal of organic chemistry","2017","82","21","11487","11493","10.1021/acs.joc.7b02023","","","0.71073","MoKα","","0.0657","0.0415","","","0.0867","0.0995","","","","","","1.043","","","","has coordinates,has disorder","202750","2020-10-21","18:00:00",""
"4033009","12.141","0.006","16.578","0.008","15.645","0.008","90","","111.516","0.007","90","","2929","3","298","2","298","2","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","","","- C74 H72 O4 -","- C74 H72 O4 -","- C148 H144 O8 -","2","0.5","","Chen, Ke; Liu, Shuai; Wang, Dan; Hao, Wen-Juan; Zhou, Peng; Tu, Shu-Jiang; Jiang, Bo","Silver/Scandium-Cocatalyzed Bicyclization of β-Alkynyl Ketones Leading to Benzo[c]xanthenes and Naphtho[1,2-b]benzofurans.","The Journal of organic chemistry","2017","82","21","11524","11530","10.1021/acs.joc.7b02134","","","0.71073","MoKα","","0.1523","0.0505","","","0.0684","0.0786","","","","","","0.941","","","","has coordinates","202752","2020-10-21","18:00:00",""
"4033010","5.5783","0.0006","25.05","0.003","25.622","0.003","90","","90","","90","","3580.3","0.7","99","2","99","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C40 H31 N3 O10 -","- C40 H31 N3 O10 -","- C160 H124 N12 O40 -","4","1","","Neralkar, Mahesh; Mishra, Bijoyananda; Hotha, Srinivas","Nucleofuge Generating Glycosidations by the Remote Activation of Hydroxybenzotriazolyl Glycosides.","The Journal of organic chemistry","2017","82","21","11494","11504","10.1021/acs.joc.7b02027","","","0.71073","MoKα","","0.1757","0.0782","","","0.1851","0.2318","","","","","","1.122","","","","has coordinates","202742","2020-10-21","18:00:00",""
"4033011","18.6401","0.0012","14.9843","0.001","12.6094","0.0009","90","","112.356","0.003","90","","3257.2","0.4","296","2","296","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C17 H17 Br N2 S -","- C17 H17 Br N2 S -","- C136 H136 Br8 N16 S8 -","8","1","","Pathak, Ambika; Justin Thomas, K. R.; Singh, Meenu; Jou, Jwo-Huei","Fine-Tuning of Photophysical and Electroluminescence Properties of Benzothiadiazole-Based Emitters by Methyl Substitution.","The Journal of organic chemistry","2017","82","21","11512","11523","10.1021/acs.joc.7b02127","","","0.71073","MoKα","","0.1207","0.0434","","","0.1067","0.1435","","","","","","0.987","","","","has coordinates","202747","2020-10-21","18:00:00",""
"4033012","7.341","","10.055","","21.981","","90","","90","","90","","1622.5","","100","0.1","100","0.1","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C17 H18 O9 -","- C17 H18 O9 -","- C68 H72 O36 -","4","1","","Padiyar, Laxmansingh T.; Zulueta, Medel Manuel L.; Sabbavarapu, Narayana Murthy; Hung, Shang-Cheng","Yb(OTf)3-Catalyzed Desymmetrization of myo-Inositol 1,3,5-Orthoformate and Its Application in the Synthesis of Chiral Inositol Phosphates.","The Journal of organic chemistry","2017","82","21","11418","11430","10.1021/acs.joc.7b01919","","","0.71073","MoKα","","0.0458","0.0362","","","0.0714","0.0766","","","","","","1.04","","","","has coordinates","202754","2020-10-21","18:00:00",""
"4033013","11.5153","0.0008","14.7212","0.001","17.6408","0.0012","90","","102.172","0.001","90","","2923.2","0.3","93","2","93","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C34 H35 N3 O5 -","- C34 H35 N3 O5 -","- C136 H140 N12 O20 -","4","1","","Hurtley, Anna E.; Stone, Elizabeth A.; Metrano, Anthony J.; Miller, Scott J.","Desymmetrization of Diarylmethylamido Bis(phenols) through Peptide-Catalyzed Bromination: Enantiodivergence as a Consequence of a 2 amu Alteration at an Achiral Residue within the Catalyst.","The Journal of organic chemistry","2017","82","21","11326","11336","10.1021/acs.joc.7b02339","","","1.54178","CuKα","","0.0345","0.0302","","","0.0783","0.0801","","","","","","1.07","","","","has coordinates","202761","2020-10-21","18:00:00",""
"4033014","11.4675","0.0003","17.311","0.0004","23.6038","0.0006","82.207","0.0018","89.031","0.002","82.4628","0.0019","4602.3","0.2","93","2","93","2","","","","","","","","5","P 1","P 1","1","","","","- C34 H34 Br N3 O5 -","- C34 H34 Br N3 O5 -","- C204 H204 Br6 N18 O30 -","6","6","","Hurtley, Anna E.; Stone, Elizabeth A.; Metrano, Anthony J.; Miller, Scott J.","Desymmetrization of Diarylmethylamido Bis(phenols) through Peptide-Catalyzed Bromination: Enantiodivergence as a Consequence of a 2 amu Alteration at an Achiral Residue within the Catalyst.","The Journal of organic chemistry","2017","82","21","11326","11336","10.1021/acs.joc.7b02339","","","1.54184","CuKα","","0.0688","0.0654","","","0.1671","0.1719","","","","","","1.026","","","","has coordinates","202761","2020-10-21","18:00:00",""
"4033015","14.0424","0.0008","17.427","0.0008","20.7378","0.0009","90","","90","","90","","5074.9","0.4","293","0.2","293","0.2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C33 H25 O2 P -","- C33 H25 O2 P -","- C264 H200 O16 P8 -","8","1","","Li, Xue-Song; Han, Ya-Ping; Zhu, Xin-Yu; Li, Ming; Wei, Wan-Xu; Liang, Yong-Min","Synthesis of Organophosphorus Compounds through Copper-Catalyzed Annulation Involving C-O and C-P Bond Formations.","The Journal of organic chemistry","2017","82","21","11636","11643","10.1021/acs.joc.7b01947","","","0.71073","MoKα","","0.0975","0.057","","","0.1211","0.1499","","","","","","1.058","","","","has coordinates","202759","2020-10-21","18:00:00",""
"4033016","18.1366","0.001","13.9563","0.0006","19.6941","0.0009","90","","90","","90","","4985","0.4","288.78","0.1","288.78","0.1","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C33 H25 O3 P -","- C33 H25 O3 P -","- C264 H200 O24 P8 -","8","1","","Li, Xue-Song; Han, Ya-Ping; Zhu, Xin-Yu; Li, Ming; Wei, Wan-Xu; Liang, Yong-Min","Synthesis of Organophosphorus Compounds through Copper-Catalyzed Annulation Involving C-O and C-P Bond Formations.","The Journal of organic chemistry","2017","82","21","11636","11643","10.1021/acs.joc.7b01947","","","0.71073","MoKα","","0.1169","0.0634","","","0.1245","0.1585","","","","","","1.046","","","","has coordinates","202759","2020-10-21","18:00:00",""
"4033017","6.823","0.0004","26.0046","0.0016","7.2754","0.0005","90","","107.175","0.0013","90","","1233.31","0.14","100","2","100","2","","","","","","","","6","P 1 21 1","P 2yb","4","PP0661","","","- C11 H13 Br Cl N S -","- C11 H13 Br Cl N S -","- C44 H52 Br4 Cl4 N4 S4 -","4","2","","Parker, Patrick D.; Lemercier, Bérénice C.; Pierce, Joshua G.","Synthesis of Quaternary-Substituted Thiazolines via Halocyclization of S-Allyl Thioimidate Salts","The Journal of Organic Chemistry","2017","","","","","10.1021/acs.joc.7b02299","","","0.71073","MoKα","","0.0714","0.0588","","","0.1433","0.1509","","","","","","1.016","","","","has coordinates","202281","2020-10-21","18:00:00",""
"4033018","13.409","0.003","22.975","0.005","14.825","0.003","90","","90.869","0.003","90","","4566.6","1.7","93","","93","","","","","","","","","8","P 1 21/n 1","-P 2yn","14","","","","- C76 H10 Cl2 F6 Li N O4 S2 -","- C75.9963 H9.9926 Cl1.9926 F6 Li N O4 S2 -","- C303.985 H39.9704 Cl7.9704 F24 Li4 N4 O16 S8 -","4","1","","Ueno, Hiroshi; Okada, Hiroshi; Aoyagi, Shinobu; Matsuo, Yutaka","Synthesis and Crystal Structure of Li(+)@Fluoreno[60]fullerene: Effect of Encapsulated Lithium Ion on Electrochemistry of Spiroannelated Fullerene.","The Journal of organic chemistry","2017","82","21","11631","11635","10.1021/acs.joc.7b01893","","","0.71075","MoKα","","0.0601","0.0482","","","0.1374","0.1506","","","","","","1.069","","","","has coordinates,has disorder","202753","2020-10-21","18:00:00",""
"4033019","26.35","0.005","12.971","0.003","26.783","0.005","90","","117.97","0.03","90","","8085","4","293","2","293","2","","","","","","","","5","P 1 2/n 1","-P 2yac","13","","","","- C21 H28 Br N O -","- C21 H28 Br N O -","- C336 H448 Br16 N16 O16 -","16","4","","Liu, Yu; Yi, Xiangli; Luo, Xuewei; Xi, Chanjuan","MeOTf-Mediated Annulation of Alkylnitriles and Arylalkynes Leading to Polysubstituted NH-Pyrroles.","The Journal of organic chemistry","2017","82","21","11391","11398","10.1021/acs.joc.7b01845","","","0.71073","MoKα","","0.149","0.1055","","","0.1851","0.2035","","","","","","1.207","","","","has coordinates","254431","2020-10-21","18:00:00",""
"4033020","7.6298","0.0015","8.2139","0.0016","13.786","0.003","85.2","0.03","78.12","0.03","89.03","0.03","842.5","0.3","173.15","","173.15","","","","","","","","","5","P -1","-P 1","2","","","","- C20 H18 Cl N O -","- C20 H18 Cl N O -","- C40 H36 Cl2 N2 O2 -","2","1","","Liu, Yu; Yi, Xiangli; Luo, Xuewei; Xi, Chanjuan","MeOTf-Mediated Annulation of Alkylnitriles and Arylalkynes Leading to Polysubstituted NH-Pyrroles.","The Journal of organic chemistry","2017","82","21","11391","11398","10.1021/acs.joc.7b01845","","","0.71073","MoKα","","0.0552","0.0519","","","0.1474","0.1505","","","","","","1.105","","","","has coordinates","202757","2020-10-21","18:00:00",""
"4033021","14.3407","0.0004","12.2598","0.0004","25.881","0.0008","90","","90","","90","","4550.2","0.2","103.4","","103.4","","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C25 H31 N O5 -","- C25 H31 N O5 -","- C200 H248 N8 O40 -","8","1","","Han, Junjie; Liu, Congcong; Li, Li; Zhou, Hui; Liu, Li; Bao, Li; Chen, Qian; Song, Fuhang; Zhang, Lixin; Li, Erwei; Liu, Ling; Pei, Yunfei; Jin, Cheng; Xue, Yanfen; Yin, Wenbing; Ma, Yanhe; Liu, Hongwei","Decalin-Containing Tetramic Acids and 4-Hydroxy-2-pyridones with Antimicrobial and Cytotoxic Activity from the Fungus Coniochaeta cephalothecoides Collected in Tibetan Plateau (Medog).","The Journal of organic chemistry","2017","82","21","11474","11486","10.1021/acs.joc.7b02010","","","1.5418","CuKα","","0.0438","0.0389","","","0.0957","0.0995","","","","","","1.038","","","","has coordinates","202745","2020-10-21","18:00:00",""
"4033022","10.838","0.0002","10.16461","0.00019","19.4057","0.0004","90","","105.682","0.002","90","","2058.23","0.07","102.8","","102.8","","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C24 H27 N O4 -","- C24 H27 N O4 -","- C96 H108 N4 O16 -","4","1","","Han, Junjie; Liu, Congcong; Li, Li; Zhou, Hui; Liu, Li; Bao, Li; Chen, Qian; Song, Fuhang; Zhang, Lixin; Li, Erwei; Liu, Ling; Pei, Yunfei; Jin, Cheng; Xue, Yanfen; Yin, Wenbing; Ma, Yanhe; Liu, Hongwei","Decalin-Containing Tetramic Acids and 4-Hydroxy-2-pyridones with Antimicrobial and Cytotoxic Activity from the Fungus Coniochaeta cephalothecoides Collected in Tibetan Plateau (Medog).","The Journal of organic chemistry","2017","82","21","11474","11486","10.1021/acs.joc.7b02010","","","1.5418","CuKα","","0.0426","0.0393","","","0.0982","0.1009","","","","","","1.054","","","","has coordinates","202745","2020-10-21","18:00:00",""
"4033023","5.71","0.002","9.405","0.003","20.359","0.007","88.572","0.006","88.944","0.006","76.822","0.006","1064.1","0.6","273","2","273.15","","","","","","","","","5","P -1","-P 1","2","","","","- C27 H22 Cl O2 P -","- C27 H22 Cl O2 P -","- C54 H44 Cl2 O4 P2 -","2","1","","Shan, Changkai; Chen, Fushan; Pan, Jiaoting; Gao, Yuxing; Xu, Pengxiang; Zhao, Yufen","Zn(OTf)2-Catalyzed Phosphinylation of Propargylic Alcohols: Access to γ-Ketophosphine Oxides.","The Journal of organic chemistry","2017","82","21","11659","11666","10.1021/acs.joc.7b02164","","","0.71073","MoKα","","0.0676","0.0554","","","0.1344","0.1426","","","","","","1.081","","","","has coordinates","202748","2020-10-21","18:00:00",""
"4033024","14.49","0.003","11.438","0.003","20.816","0.004","90","","90","","90","","3450","1.3","113","2","113","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C20 H17 N O5 -","- C20 H17 N O5 -","- C160 H136 N8 O40 -","8","1","","Zhao, Xiaoyuan; Zhang, Yong; Deng, Jun; Zhang-Negrerie, Daisy; Du, Yunfei","TBHP/TBAI-Mediated Oxidative Cascade Reaction Consisting of Dimerization, Cyclization, and 1,2-Aryl Migration: Metal-Free Synthesis of Pyrrolin-4-ones and Highly Substituted Pyrroles.","The Journal of organic chemistry","2017","82","23","12682","12690","10.1021/acs.joc.7b02491","","","0.71073","MoKα","","0.0686","0.0541","","","0.1291","0.1381","","","","","","1.062","","","","has coordinates","204862","2020-10-21","18:00:00",""
"4033025","18.3954","0.0006","10.8878","0.0004","19.5641","0.0007","90","","94.55","0.003","90","","3906.1","0.2","100.01","0.1","100.01","0.1","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C17 H24 F3 N O4.5 P -","- C17 H24 F3 N O4.5 P -","- C136 H192 F24 N8 O36 P8 -","8","2","","Wu, Wanqing; Lin, Zhiming; Zhu, Chuanle; Chen, Pengquan; Li, Jiawei; Jiang, Huanfeng","Transition-Metal-Free [3+2] Cycloaddition of Dehydroaminophosphonates and N-Tosylhydrazones: Access to Aminocyclopropanephosphonates with Adjacent Quaternary-Tetrasubstituted Carbon Centers.","The Journal of organic chemistry","2017","82","23","12746","12756","10.1021/acs.joc.7b01862","","x-ray","1.54184","CuKα","","0.0635","0.056","","","0.1429","0.15","","","","","","1.036","","","","has coordinates","204863","2020-10-21","18:00:00",""
"4033026","10.2112","0.0002","17.8559","0.0005","21.0675","0.0004","90","","90","","90","","3841.24","0.15","100","0.1","100","0.1","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C17 H23 F3 N O4 P -","- C17 H23 F3 N O4 P -","- C136 H184 F24 N8 O32 P8 -","8","2","","Wu, Wanqing; Lin, Zhiming; Zhu, Chuanle; Chen, Pengquan; Li, Jiawei; Jiang, Huanfeng","Transition-Metal-Free [3+2] Cycloaddition of Dehydroaminophosphonates and N-Tosylhydrazones: Access to Aminocyclopropanephosphonates with Adjacent Quaternary-Tetrasubstituted Carbon Centers.","The Journal of organic chemistry","2017","82","23","12746","12756","10.1021/acs.joc.7b01862","","x-ray","1.54184","CuKα","","0.041","0.0394","","","0.1051","0.1071","","","","","","1.006","","","","has coordinates","204863","2020-10-21","18:00:00",""
"4033027","13.433","0.001","8.4143","0.0006","20.157","0.0014","90","","90.985","0.007","90","","2278","0.3","293","2","293","2","","","","","","","Synthesis","5","P 1 21/n 1","-P 2yn","14","","Unknown","","- C28 H23 N O3 S -","- C28 H23 N O3 S -","- C112 H92 N4 O12 S4 -","4","1","","Chandra Sahoo, Subas; Joshi, Mayank; Chandra Pan, Subhas","Diastereoselective Desymmetrization of Prochiral Cyclopentenediones via Cycloaddition Reaction with N-Phenacylbenzothiazolium Bromides.","The Journal of organic chemistry","2017","82","23","12763","12770","10.1021/acs.joc.7b01964","","x-ray","0.71073","MoKα","","0.0708","0.0483","","","0.1185","0.1335","","","","","","1.094","","","","has coordinates","204868","2020-10-21","18:00:00",""
"4033028","12.2788","0.0005","13.5044","0.0005","15.3335","0.0004","105.77","0.003","110.274","0.003","90.739","0.003","2279.07","0.15","100","0.2","100","0.2","","","","","","","","5","P -1","-P 1","2","","","","- C29 H25 N O4 S -","- C29 H25 N O4 S -","- C116 H100 N4 O16 S4 -","4","2","","Chandra Sahoo, Subas; Joshi, Mayank; Chandra Pan, Subhas","Diastereoselective Desymmetrization of Prochiral Cyclopentenediones via Cycloaddition Reaction with N-Phenacylbenzothiazolium Bromides.","The Journal of organic chemistry","2017","82","23","12763","12770","10.1021/acs.joc.7b01964","","x-ray","0.71073","MoKα","","0.0806","0.0542","","","0.148","0.1576","","","","","","0.97","","","","has coordinates","204868","2020-10-21","18:00:00",""
"4033029","5.0386","0.0003","24.2827","0.0013","12.1901","0.0006","90","","94.863","0.004","90","","1486.1","0.14","100","","100","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C16 H19 N O5 -","- C16 H19 N O5 -","- C64 H76 N4 O20 -","4","1","","Lepitre, Thomas; Denhez, Clement; Moncol, Jan; Othman, Mohamed; Lawson, Ata Martin; Daïch, Adam","Structure-Based Kinetic Control in a Domino Process: A Powerful Tool Toward Molecular Diversity in Chromone Series.","The Journal of organic chemistry","2017","82","23","12188","12201","10.1021/acs.joc.7b01996","","","1.54186","CuKα","","0.0532","0.0456","","","0.1187","0.1224","","","","","","1.035","","","","has coordinates,has disorder","204857","2020-10-21","18:00:00",""
"4033030","4.9377","0.0008","11.3507","0.0019","18.673","0.003","72.387","0.003","88.787","0.003","85.279","0.004","994.1","0.3","296","2","296","","","","","","","","","5","P 1","P 1","1","","","","- C23 H17 I N2 O3 -","- C23 H17 I N2 O3 -","- C46 H34 I2 N4 O6 -","2","2","","Chai, Guo-Li; Han, Jian-Wei; Wong, Henry N. C.","Asymmetric Darzens Reaction of Isatins with Diazoacetamides Catalyzed by Chiral BINOL-Titanium Complex.","The Journal of organic chemistry","2017","82","23","12647","12654","10.1021/acs.joc.7b02439","","","0.71073","MoKα","","0.0982","0.0407","","","0.0456","0.0569","","","","","","0.922","","","","has coordinates","204870","2020-10-21","18:00:00",""
"4033031","5.0548","0.0007","8.0834","0.001","37.866","0.005","90","","90","","90","","1547.2","0.4","293","2","293","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C17 H13 I N2 O3 -","- C17 H13 I N2 O3 -","- C68 H52 I4 N8 O12 -","4","1","","Chai, Guo-Li; Han, Jian-Wei; Wong, Henry N. C.","Asymmetric Darzens Reaction of Isatins with Diazoacetamides Catalyzed by Chiral BINOL-Titanium Complex.","The Journal of organic chemistry","2017","82","23","12647","12654","10.1021/acs.joc.7b02439","","","0.71073","MoKα","","0.0392","0.0363","","","0.0828","0.0841","","","","","","1.121","","","","has coordinates","204870","2020-10-21","18:00:00",""
"4033032","31.771","0.002","7.3683","0.0006","16.5063","0.0011","90","","100.174","0.006","90","","3803.3","0.5","100","2","100","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C26 H23 N O -","- C26 H23 N O -","- C208 H184 N8 O8 -","8","1","","Wojcik, Laurianne; Michaud, François; Gauthier, Sébastien; Cabon, Nolwenn; Le Poul, Pascal; Gloaguen, Frederic; Le Poul, Nicolas","Reversible Redox Switching of Chromophoric Phenylmethylenepyrans by Carbon-Carbon Bond Making/Breaking.","The Journal of organic chemistry","2017","82","23","12395","12405","10.1021/acs.joc.7b02199","","x-ray","0.71073","MoKα","","0.0938","0.0551","","","0.1075","0.1257","","","","","","1.058","","","","has coordinates,has disorder","288505","2023-12-22","15:12:01",""
"4033033","10.2518","0.0003","11.019","0.0003","11.4871","0.0003","84.87","0.001","86.994","0.001","86.549","0.001","1288.65","0.06","100","2","100","2","","","","","","","","4","P -1","-P 1","2","","2-(4-(benzylamino)furo[2,3-c]pyridazin-6-yl)ethan-1-ol","","- C15 H15 N3 O2 -","- C15 H15 N3 O2 -","- C60 H60 N12 O8 -","4","2","","Ganley, Jacob M.; Waller, David L.","Synthesis of Furo[2,3-c]pyridazines via Tandem Transition-Metal Catalysis.","The Journal of organic chemistry","2017","82","23","12740","12745","10.1021/acs.joc.7b01819","","","1.54178","CuKα","","0.0414","0.0367","","","0.0886","0.092","","","","","","1.04","","","","has coordinates","204836","2020-10-21","18:00:00",""
"4033034","7.59159","0.00019","20.3087","0.0003","21.5684","0.0004","90","","90","","90","","3325.32","0.11","150","","150","","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C35 H46 N2 O5 -","- C35 H46 N2 O5 -","- C140 H184 N8 O20 -","4","1","","Csatayová, Kristína; Davies, Stephen G.; Fletcher, Ai M.; Fowler, Thomas R.; Kennedy, Matthew S.; Roberts, Paul M.; Thomson, James E.","Asymmetric Syntheses of 3-Deoxy-3-aminosphingoid Bases: Approaches Based on Parallel Kinetic Resolution and Double Asymmetric Induction.","The Journal of organic chemistry","2017","82","23","12447","12466","10.1021/acs.joc.7b02233","","","1.5418","CuKα","","0.0657","0.0631","","0.1824","0.1771","0.1822","","","","","","0.9538","","","","has coordinates","204841","2020-10-21","18:00:00",""
"4033035","7.10434","0.00019","10.684","0.0003","11.6324","0.0004","82.814","0.003","75.572","0.002","76.583","0.002","829.62","0.04","150","","150","","","","","","","","","4","P 1","P 1","1","","","","- C38 H46 N2 O3 -","- C38 H46 N2 O3 -","- C38 H46 N2 O3 -","1","1","","Csatayová, Kristína; Davies, Stephen G.; Fletcher, Ai M.; Fowler, Thomas R.; Kennedy, Matthew S.; Roberts, Paul M.; Thomson, James E.","Asymmetric Syntheses of 3-Deoxy-3-aminosphingoid Bases: Approaches Based on Parallel Kinetic Resolution and Double Asymmetric Induction.","The Journal of organic chemistry","2017","82","23","12447","12466","10.1021/acs.joc.7b02233","","","1.54184","CuKα","","0.037","0.0356","","0.0959","0.094","0.0956","","","","","","0.9992","","","","has coordinates","204841","2020-10-21","18:00:00",""
"4033036","7.2555","0.0004","6.3055","0.0004","19.0027","0.001","90","","96.908","0.005","90","","863.05","0.09","293","2","293","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C18 H22 N2 O3 -","- C18 H22 N2 O3 -","- C36 H44 N4 O6 -","2","1","","Zhi, Wubin; Li, Jingya; Zou, Dapeng; Wu, Yusheng; Wu, Yangjie","Palladium-Catalyzed Diastereoselective Synthesis of 3-Arylbutanoic Acid Derivatives.","The Journal of organic chemistry","2017","82","23","12286","12293","10.1021/acs.joc.7b02104","","x-ray","1.54184","CuKα","","0.0382","0.035","","","0.0904","0.0942","","","","","","1.029","","","","has coordinates","204845","2020-10-21","18:00:00",""
"4033037","16.35","0.003","5.9252","0.0012","17.079","0.003","90","","115.06","0.03","90","","1498.8","0.6","292","2","292","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C15 H26 B N -","- C15 H26 B N -","- C60 H104 B4 N4 -","4","1","","Mateo, Pierre; Cinqualbre, Joséphine E; Meyer Mojzes, Melinda; Schenk, Kurt; Renaud, Philippe","Reductive Alkylation of Tertiary Lactams via Addition of Organocopper (RCu) Reagents to Thioiminium Ions.","The Journal of organic chemistry","2017","82","23","12318","12327","10.1021/acs.joc.7b02150","","x-ray","0.71073","MoKα","","0.1305","0.0705","","","0.1799","0.2107","","","","","","1.027","","","","has coordinates","204848","2020-10-21","18:00:00",""
"4033038","5.7278","0.0006","17.5633","0.0019","21.791","0.002","90","","90","","90","","2192.2","0.4","298","2","298","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C23 H31 N0 O2 P -","- C23 H31 O2 P -","- C92 H124 O8 P4 -","4","1","","Liu, Li-Juan; Wang, Wei-Min; Yao, Lan; Meng, Fan-Jie; Sun, Yong-Ming; Xu, Hao; Xu, Zhong-Yuan; Li, Qiang; Zhao, Chang-Qiu; Han, Li-Biao","Reinvestigation of the Substitutions Reaction of Stereogenic Phosphoryl Compounds: Stereochemistry, Mechanism, and Applications.","The Journal of organic chemistry","2017","82","23","11990","12002","10.1021/acs.joc.7b01326","","","0.71073","MoKα","","0.1436","0.0522","","","0.1184","0.1655","","","","","","0.669","","","","has coordinates","204849","2020-10-21","18:00:00",""
"4033039","12.4777","0.0011","5.797","0.0007","15.419","0.0019","90","","100.727","0.001","90","","1095.8","0.2","298","2","298","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C23 H31 N0 O2 P -","- C23 H31 O2 P -","- C46 H62 O4 P2 -","2","1","","Liu, Li-Juan; Wang, Wei-Min; Yao, Lan; Meng, Fan-Jie; Sun, Yong-Ming; Xu, Hao; Xu, Zhong-Yuan; Li, Qiang; Zhao, Chang-Qiu; Han, Li-Biao","Reinvestigation of the Substitutions Reaction of Stereogenic Phosphoryl Compounds: Stereochemistry, Mechanism, and Applications.","The Journal of organic chemistry","2017","82","23","11990","12002","10.1021/acs.joc.7b01326","","","0.71073","MoKα","","0.0877","0.0658","","","0.1567","0.1697","","","","","","0.89","","","","has coordinates","211179","2020-10-21","18:00:00",""
"4033040","5.5617","0.0002","9.7074","0.0004","10.4167","0.0003","88.569","0.002","85.582","0.002","77.614","0.002","547.65","0.03","100","2","100","2","","","","","","","","4","P -1","-P 1","2","","","","- C10 H15 N O4 -","- C10 H15 N O4 -","- C20 H30 N2 O8 -","2","1","","Feskov, Illia O.; Chernykh, Anton V.; Kondratov, Ivan S.; Klyachina, Mariya; Daniliuc, Constantin G.; Haufe, Günter","Cyclobutyl-Containing Rigid Analogues of Threonine: Synthesis and Physical Chemical Properties.","The Journal of organic chemistry","2017","82","23","12863","12868","10.1021/acs.joc.7b02259","","","1.54178","CuKα","","0.0441","0.0401","","","0.1005","0.1031","","","","","","1.091","","","","has coordinates","204864","2020-10-21","18:00:00",""
"4033041","9.5142","0.0002","9.6019","0.0003","10.1754","0.0002","63.556","0.001","71.826","0.002","68.914","0.001","763.67","0.03","173","2","173","2","","","","","","","","5","P -1","-P 1","2","","","","- C12 H23 Cl N2 O6 -","- C12 H23 Cl N2 O6 -","- C24 H46 Cl2 N4 O12 -","2","1","","Feskov, Illia O.; Chernykh, Anton V.; Kondratov, Ivan S.; Klyachina, Mariya; Daniliuc, Constantin G.; Haufe, Günter","Cyclobutyl-Containing Rigid Analogues of Threonine: Synthesis and Physical Chemical Properties.","The Journal of organic chemistry","2017","82","23","12863","12868","10.1021/acs.joc.7b02259","","","0.71073","MoKα","","0.0324","0.0314","","","0.0783","0.0792","","","","","","1.035","","","","has coordinates","204864","2020-10-21","18:00:00",""
"4033042","10.2719","0.0003","10.6899","0.0003","16.9891","0.0005","90","","90","","90","","1865.5","0.09","102","2","102","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C6 H14 Cl N O4 -","- C6 H14 Cl N O4 -","- C48 H112 Cl8 N8 O32 -","8","1","","Feskov, Illia O.; Chernykh, Anton V.; Kondratov, Ivan S.; Klyachina, Mariya; Daniliuc, Constantin G.; Haufe, Günter","Cyclobutyl-Containing Rigid Analogues of Threonine: Synthesis and Physical Chemical Properties.","The Journal of organic chemistry","2017","82","23","12863","12868","10.1021/acs.joc.7b02259","","","1.54178","CuKα","","0.0329","0.0324","","","0.0793","0.0799","","","","","","1.103","","","","has coordinates","204864","2020-10-21","18:00:00",""
"4033043","9.0352","0.0003","10.3936","0.0003","19.7212","0.0006","90","","100.661","0.003","90","","1820.02","0.1","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C22 H16 N2 O3 S -","- C22 H16 N2 O3 S -","- C88 H64 N8 O12 S4 -","4","1","","Bai, Peirong; Sun, Suyan; Li, Zexian; Qiao, Huijie; Su, Xiaoxue; Yang, Fan; Wu, Yusheng; Wu, Yangjie","Ru/Cu Photoredox or Cu/Ag Catalyzed C4-H Sulfonylation of 1-Naphthylamides at Room Temperature.","The Journal of organic chemistry","2017","82","23","12119","12127","10.1021/acs.joc.7b01917","","x-ray","1.54184","CuKα","","0.0491","0.0413","","","0.1047","0.1127","","","","","","1.051","","","","has coordinates","204866","2020-10-21","18:00:00",""
"4033044","18.263","0.003","18.263","0.003","61.044","0.009","90","","90","","90","","20360","6","173.15","","173.15","","","","","","","","","3","I 41/a","-I 4ad","88","","","","- C65 H41 N5 -","- C65 H41 N5 -","- C1040 H656 N80 -","16","","","Huang, Fu; Wang, Guangxia; Ma, Lishuang; Wang, Ying; Chen, Xuebo; Che, Yanke; Jiang, Hua","Molecular Spur Gears Based on a Switchable Quinquepyridine Foldamer Acting as a Stator.","The Journal of organic chemistry","2017","82","23","12106","12111","10.1021/acs.joc.7b01864","","","0.71073","MoKα","","0.1372","0.1042","","","0.2564","0.2727","","","","","","1.449","","","","has coordinates","204835","2020-10-21","18:00:00",""
"4033045","12.3456","0.0009","8.7625","0.0005","19.7466","0.0014","90","","101.307","0.003","90","","2094.7","0.2","296","2","296","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C17 H12 N O3 -","- C17 H12 N O3 -","- C102 H72 N6 O18 -","6","3","","Sivamuthuraman, Koilpitchai; Kumarswamyreddy, Nandarapu; Kesavan, Venkitasamy","Diastereo- and Enantioselective Synthesis of 2,2-Disubstituted Benzofuran-3-one Bearing Adjacent Quaternary and Tertiary Stereocenters.","The Journal of organic chemistry","2017","82","20","10812","10822","10.1021/acs.joc.7b01105","","","0.71073","MoKα","","0.1142","0.0548","","","0.1262","0.1493","","","","","","1.028","","","","has coordinates","202602","2020-10-21","18:00:00",""
"4033046","9.0459","0.0006","15.6351","0.0012","24.8362","0.0014","90","","90","","90","","3512.7","0.4","296","2","296","2","","","","","","","","5","C 2 2 21","C 2c 2","20","","","","- C18 H14 Br N O6 -","- C18 H14 Br N O6 -","- C144 H112 Br8 N8 O48 -","8","1","","Sivamuthuraman, Koilpitchai; Kumarswamyreddy, Nandarapu; Kesavan, Venkitasamy","Diastereo- and Enantioselective Synthesis of 2,2-Disubstituted Benzofuran-3-one Bearing Adjacent Quaternary and Tertiary Stereocenters.","The Journal of organic chemistry","2017","82","20","10812","10822","10.1021/acs.joc.7b01105","","","0.71073","MoKα","","0.0752","0.0376","","","0.0671","0.076","","","","","","0.974","","","","has coordinates","202603","2020-10-21","18:00:00",""
"4033047","8.3051","0.0004","10.1444","0.0005","12.8453","0.0005","90","","91.577","0.003","90","","1081.81","0.09","296","2","296","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C44 H44 F8 N4 O8 -","- C44 H44 F8 N4 O8 -","- C44 H44 F8 N4 O8 -","1","0.25","","Zhao, Qinglan; Xiang, Haoyue; Xiao, Jun-An; Xia, Peng-Ju; Wang, Jun-Jie; Chen, Xiaoqing; Yang, Hua","Selectfluor-Triggered Tandem Cyclization of o-Hydroxyarylenaminones To Access Difluorinated 2-Amino-Substituted Chromanones.","The Journal of organic chemistry","2017","82","18","9837","9843","10.1021/acs.joc.7b01339","","","0.71073","MoKα","","0.0479","0.0363","","","0.0953","0.104","","","","","","1.041","","","","has coordinates","202604","2020-10-21","18:00:00",""
"4033048","4.2219","0.0002","16.5496","0.0008","20.8964","0.0009","90","","91.288","0.004","90","","1459.68","0.12","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","6-bromo-1(5-chloro-2-hydroxy-4-methoxy-phenyl)napthalene-2-ol","6-bromo-1(5-chloro-2-hydroxy-4-methoxy-phenyl)napthalene-2-ol","","- C17 H12 Br Cl O3 -","- C17 H12 Br Cl O3 -","- C68 H48 Br4 Cl4 O12 -","4","1","","Sharma, Shivangi; Parumala, Santosh Kumar Reddy; Peddinti, Rama Krishna","Lewis Acid-Mediated Site-Selective Synthesis of Oxygenated Biaryls from Methoxyphenols and Electron-Rich Arenes.","The Journal of organic chemistry","2017","82","18","9367","9383","10.1021/acs.joc.7b00684","","","0.71073","MoKα","","0.0699","0.0443","","","0.0921","0.1047","","","","","","1.023","","","","has coordinates","202605","2020-10-21","18:00:00",""
"4033049","8.7526","0.0004","9.017","0.0004","19.8984","0.0007","90.101","0.002","90.003","0.002","102.3","0.002","1534.37","0.11","296","2","296","2","","","","","","","","5","P -1","-P 1","2","","","","- C15 H14 Br Cl O4 -","- C15 H14 Br Cl O4 -","- C60 H56 Br4 Cl4 O16 -","4","2","","Sharma, Shivangi; Parumala, Santosh Kumar Reddy; Peddinti, Rama Krishna","Lewis Acid-Mediated Site-Selective Synthesis of Oxygenated Biaryls from Methoxyphenols and Electron-Rich Arenes.","The Journal of organic chemistry","2017","82","18","9367","9383","10.1021/acs.joc.7b00684","","","0.71073","MoKα","","0.1185","0.0433","","","0.0819","0.1004","","","","","","0.973","","","","has coordinates","202606","2020-10-21","18:00:00",""
"4033050","7.704","0.005","9.207","0.005","16.462","0.005","92.799","0.005","102.322","0.005","90.028","0.005","1139.3","1","296","2","293","2","","","","","","","","3","P -1","-P 1","2","","","","- C25 H28 O8 -","- C25 H28 O8 -","- C50 H56 O16 -","2","1","","Sharma, Shivangi; Parumala, Santosh Kumar Reddy; Peddinti, Rama Krishna","Lewis Acid-Mediated Site-Selective Synthesis of Oxygenated Biaryls from Methoxyphenols and Electron-Rich Arenes.","The Journal of organic chemistry","2017","82","18","9367","9383","10.1021/acs.joc.7b00684","","","0.71073","MoKα","","0.0696","0.0452","","","0.1133","0.1292","","","","","","1.035","","","","has coordinates","202607","2020-10-21","18:00:00",""
"4033051","8.366","0.003","10.586","0.004","18.446","0.006","90","","90","","90","","1633.6","1","293","2","293","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C20 H21 N O -","- C20 H21 N O -","- C80 H84 N4 O4 -","4","1","","Denisenko, Aleksandr V.; Druzhenko, Tetiana; Skalenko, Yevhen; Samoilenko, Maryna; Grygorenko, Oleksandr O.; Zozulya, Sergey; Mykhailiuk, Pavel K.","Photochemical Synthesis of 3-Azabicyclo[3.2.0]heptanes: Advanced Building Blocks for Drug Discovery.","The Journal of organic chemistry","2017","82","18","9627","9636","10.1021/acs.joc.7b01678","","","0.71073","MoKα","","0.2447","0.0667","","","0.1175","0.1674","","","","","","0.809","","","","has coordinates","202608","2020-10-21","18:00:00",""
"4033052","12.846","0.002","7.3513","0.0009","13.544","0.002","90","","116.45","0.02","90","","1145.1","0.3","293","2","293","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C12 H16 Cl N -","- C12 H16 Cl N -","- C48 H64 Cl4 N4 -","4","1","","Denisenko, Aleksandr V.; Druzhenko, Tetiana; Skalenko, Yevhen; Samoilenko, Maryna; Grygorenko, Oleksandr O.; Zozulya, Sergey; Mykhailiuk, Pavel K.","Photochemical Synthesis of 3-Azabicyclo[3.2.0]heptanes: Advanced Building Blocks for Drug Discovery.","The Journal of organic chemistry","2017","82","18","9627","9636","10.1021/acs.joc.7b01678","","","0.71073","MoKα","","0.1542","0.0743","","","0.1912","0.2366","","","","","","0.879","","","","has coordinates","202608","2020-10-21","18:00:00",""
"4033053","9.5079","0.0003","9.5079","0.0003","32.2672","0.0019","90","","90","","120","","2526.16","0.19","293","2","293","2","","","","","","","","5","P 32","P 32","145","","","","- C20 H20 F N O -","- C20 H20 F N O -","- C120 H120 F6 N6 O6 -","6","2","","Denisenko, Aleksandr V.; Druzhenko, Tetiana; Skalenko, Yevhen; Samoilenko, Maryna; Grygorenko, Oleksandr O.; Zozulya, Sergey; Mykhailiuk, Pavel K.","Photochemical Synthesis of 3-Azabicyclo[3.2.0]heptanes: Advanced Building Blocks for Drug Discovery.","The Journal of organic chemistry","2017","82","18","9627","9636","10.1021/acs.joc.7b01678","","","0.71073","MoKα","","0.2139","0.0553","","","0.0842","0.1142","","","","","","0.811","","","","has coordinates","202608","2020-10-21","18:00:00",""
"4033054","6.143","0.003","9.618","0.003","55.166","0.013","90","","90","","90","","3259","2","293","2","293","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C20 H20 F N O -","- C20 H20 F N O -","- C160 H160 F8 N8 O8 -","8","2","","Denisenko, Aleksandr V.; Druzhenko, Tetiana; Skalenko, Yevhen; Samoilenko, Maryna; Grygorenko, Oleksandr O.; Zozulya, Sergey; Mykhailiuk, Pavel K.","Photochemical Synthesis of 3-Azabicyclo[3.2.0]heptanes: Advanced Building Blocks for Drug Discovery.","The Journal of organic chemistry","2017","82","18","9627","9636","10.1021/acs.joc.7b01678","","","0.71073","MoKα","","0.1855","0.0755","","","0.1376","0.1854","","","","","","0.796","","","","has coordinates","202608","2020-10-21","18:00:00",""
"4033055","13.9502","0.0016","7.9101","0.0009","11.5513","0.0015","90","","104.996","0.004","90","","1231.2","0.3","296","2","296","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C13 H12 F2 O4 -","- C13 H12 F2 O4 -","- C52 H48 F8 O16 -","4","1","","Sha, Wanxing; Zhang, Wenzhong; Ni, Shengyang; Mei, Haibo; Han, Jianlin; Pan, Yi","Photoredox-Catalyzed Cascade Difluoroalkylation and Intramolecular Cyclization for Construction of Fluorinated γ-Butyrolactones.","The Journal of organic chemistry","2017","82","18","9824","9831","10.1021/acs.joc.7b01279","","","0.71073","MoKα","","0.0448","0.0376","","","0.0948","0.0994","","","","","","1.034","","","","has coordinates","202609","2020-10-21","18:00:00",""
"4033056","8.8364","0.0004","9.5204","0.0004","13.5931","0.0005","81.065","0.002","87.232","0.002","78.031","0.002","1104.95","0.08","296","2","296","2","","","","","","","","4","P -1","-P 1","2","","","","- C27 H18 N2 O5 -","- C27 H18 N2 O5 -","- C54 H36 N4 O10 -","2","1","","Sharma, Nitika; Peddinti, Rama Krishna","Iodine-Catalyzed Regioselective Synthesis of Multisubstiuted Pyrrole Polyheterocycles Free from Rotamers and Keto-Enol Tautomers.","The Journal of organic chemistry","2017","82","18","9360","9366","10.1021/acs.joc.7b01538","","","0.71073","MoKα","","0.0673","0.0427","","","0.1104","0.1256","","","","","","0.977","","","","has coordinates","202610","2020-10-21","18:00:00",""
"4033057","6.269","0.0003","27.3913","0.0011","7.1608","0.0004","90","","113.19","0.006","90","","1130.28","0.11","200","2","200","2","","","","","","","","3","P 1 21 1","P 2yb","4","","","","- C25 H34 O6 -","- C25 H34 O6 -","- C50 H68 O12 -","2","1","","Huang, Sheng-Han; Liang, Kai-Hsiang; Lu, Jia-Syun; Chang, Wei-Sheng; Su, Ming-Der; Yang, Te-Fang","Total Synthesis of (+)-Antrocin and Its Diastereomer and Clarification of the Absolute Stereochemistry of (-)-Antrocin.","The Journal of organic chemistry","2017","82","18","9576","9584","10.1021/acs.joc.7b01600","","","1.54178","CuKα","","0.0647","0.0491","","","0.1119","0.1245","","","","","","0.995","","","","has coordinates","202611","2020-10-21","18:00:00",""
"4033058","6.1751","0.0006","13.4968","0.0011","13.5761","0.0007","90","","90.834","0.007","90","","1131.37","0.15","200","2","200","2","","","","","","","","3","P 1 21 1","P 2yb","4","","","","- C25 H36 O6 -","- C25 H36 O6 -","- C50 H72 O12 -","2","1","","Huang, Sheng-Han; Liang, Kai-Hsiang; Lu, Jia-Syun; Chang, Wei-Sheng; Su, Ming-Der; Yang, Te-Fang","Total Synthesis of (+)-Antrocin and Its Diastereomer and Clarification of the Absolute Stereochemistry of (-)-Antrocin.","The Journal of organic chemistry","2017","82","18","9576","9584","10.1021/acs.joc.7b01600","","","1.54178","CuKα","","0.0937","0.0611","","","0.1511","0.1695","","","","","","1.115","","","","has coordinates","202611","2020-10-21","18:00:00",""
"4033059","6.7453","0.0005","11.8927","0.001","14.4914","0.0013","90","","101.28","0.009","90","","1140.04","0.17","295","2","295","2","","","","","","","","3","P 1 21 1","P 2yb","4","","","","- C25 H34 O6 -","- C25 H34 O6 -","- C50 H68 O12 -","2","1","","Huang, Sheng-Han; Liang, Kai-Hsiang; Lu, Jia-Syun; Chang, Wei-Sheng; Su, Ming-Der; Yang, Te-Fang","Total Synthesis of (+)-Antrocin and Its Diastereomer and Clarification of the Absolute Stereochemistry of (-)-Antrocin.","The Journal of organic chemistry","2017","82","18","9576","9584","10.1021/acs.joc.7b01600","","","1.54178","CuKα","","0.099","0.0642","","","0.1514","0.1774","","","","","","0.895","","","","has coordinates","202611","2020-10-21","18:00:00",""
"4033060","6.1762","0.0004","15.9914","0.0007","7.1677","0.0004","90","","114.107","0.007","90","","646.18","0.07","200","2","200","2","","","","","","","","3","P 1 21 1","P 2yb","4","","","","- C15 H22 O2 -","- C15 H22 O2 -","- C30 H44 O4 -","2","1","","Huang, Sheng-Han; Liang, Kai-Hsiang; Lu, Jia-Syun; Chang, Wei-Sheng; Su, Ming-Der; Yang, Te-Fang","Total Synthesis of (+)-Antrocin and Its Diastereomer and Clarification of the Absolute Stereochemistry of (-)-Antrocin.","The Journal of organic chemistry","2017","82","18","9576","9584","10.1021/acs.joc.7b01600","","","1.54178","CuKα","","0.0591","0.0483","","","0.1314","0.1418","","","","","","0.894","","","","has coordinates","202611","2020-10-21","18:00:00",""
"4033061","8.2539","0.0006","9.3035","0.0006","15.4181","0.001","94.023","0.003","94.343","0.003","95.709","0.003","1171.1","0.14","296","2","296","2","","","","","","","","6","P -1","-P 1","2","KSH-2733","","","- C26 H23 Br N2 O2 S -","- C26 H23 Br N2 O2 S -","- C52 H46 Br2 N4 O4 S2 -","2","1","","Kim, Sanghyuck; Kim, Hyunseok; Um, Kyusik; Lee, Phil Ho","Synthesis of Azepinoindoles via Rhodium-Catalyzed Formal Aza-[4 + 3] Cycloaddition Reaction of 3-Diazoindolin-2-imines with 1,3-Dienes in One-Pot.","The Journal of organic chemistry","2017","82","18","9808","9815","10.1021/acs.joc.7b01150","","","0.71073","","","0.1653","0.1524","","","0.3515","0.3597","","","","","","0.861","","","","has coordinates","202612","2020-10-21","18:00:00",""
"4033062","7.937","0.003","9.671","0.004","11.189","0.004","82.485","0.009","77.888","0.008","74.91","0.017","808.1","0.5","173","2","173","2","","","","","","","","3","P -1","-P 1","2","","","","- C19 H22 O6 -","- C19 H22 O6 -","- C38 H44 O12 -","2","1","","Mehl, Lea-Marina; Maier, Martin E.","A Radical-Based Synthesis of Lingzhiol.","The Journal of organic chemistry","2017","82","18","9844","9850","10.1021/acs.joc.7b01416","","","0.71073","MoKα","","0.0434","0.0385","","","0.1026","0.1068","","","","","","1.041","","","","has coordinates","202613","2020-10-21","18:00:00",""
"4033063","8.8975","0.0006","9.7369","0.0005","10.996","0.0009","96.23","0.006","112.79","0.007","112.251","0.006","775.65","0.12","291","2","291.15","","","","","","","","","4","P -1","-P 1","2","","","","- C19 H19 N O2 -","- C19 H19 N O2 -","- C38 H38 N2 O4 -","2","1","","Cheng, Guolin; Xue, Lulu; Weng, Yunxiang; Cui, Xiuling","Transition-Metal-Free Cascade Approach toward 2-Alkoxy/2-Sulfenylpyridines and Dihydrofuro[2,3-b]pyridines by Trapping In Situ Generated 1,4-Oxazepine.","The Journal of organic chemistry","2017","82","18","9515","9524","10.1021/acs.joc.7b01541","","","1.54184","CuKα","","0.0485","0.0409","","","0.11","0.1164","","","","","","1.05","","","","has coordinates","202614","2020-10-21","18:00:00",""
"4033064","14.4488","0.0013","7.0914","0.0006","12.1819","0.0011","90","","96.893","0.001","90","","1239.16","0.19","150","2","150","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","Dimethyl 2-(2-hydroxyphenyl)cyclopropane-1,1-dicarboxylate","","- C13 H14 O5 -","- C13 H14 O5 -","- C52 H56 O20 -","4","1","","Ivanov, Konstantin L.; Villemson, Elena V.; Latyshev, Gennadij V.; Bezzubov, Stanislav I.; Majouga, Alexander G.; Melnikov, Mikhail Ya; Budynina, Ekaterina M.","Regioselective Hydrogenolysis of Donor-Acceptor Cyclopropanes with Zn-AcOH Reductive System.","The Journal of organic chemistry","2017","82","18","9537","9549","10.1021/acs.joc.7b01549","","","0.71073","MoKα","","0.0456","0.0365","","","0.089","0.0951","","","","","","1.039","","","","has coordinates","202615","2020-10-21","18:00:00",""
"4033065","8.1826","0.0003","11.3714","0.0006","12.6284","0.0007","73.609","0.005","85.465","0.004","89.729","0.004","1123.57","0.1","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","(Z)-ethyl 3-((methoxycarbonyl)amino)-4-methyl-2-(3-(4-nitrophenyl)- 5-oxoisoxazol-4(5H)-ylidene)-2,3-dihydrothiazole-5-carboxylate compound with methanol (1:1)","","- C19 H20 N4 O9 S -","- C19 H20 N4 O9 S -","- C38 H40 N8 O18 S2 -","2","1","","Santeusanio, Stefania; Majer, Roberta; Perrulli, Francesca Romana; De Crescentini, Lucia; Favi, Gianfranco; Giorgi, Gianluca; Mantellini, Fabio","Divergent Approach to Thiazolylidene Derivatives: A Perspective on the Synthesis of a Heterocyclic Skeleton from β-Amidothioamides Reactivity.","The Journal of organic chemistry","2017","82","18","9773","9778","10.1021/acs.joc.7b02135","","","0.71073","MoKα","","0.0708","0.043","","","0.1074","0.1146","","","","","","0.957","","","","has coordinates,has disorder","202616","2020-10-21","18:00:00",""
"4033066","5.575","0.006","10.617","0.012","10.854","0.012","88.562","0.019","89.239","0.019","77.545","0.018","627.1","1.2","298","1","298","1","","","","","","","","3","P -1","-P 1","2","","","","- C14 H20 O3 -","- C14 H20 O3 -","- C28 H40 O6 -","2","1","","Lankri, David; Mostinski, Yelena; Tsvelikhovsky, Dmitry","Palladium-Catalyzed Cascade Assembly of Tricyclic Spiroethers from Diene-Alcohol Precursors.","The Journal of organic chemistry","2017","82","18","9452","9463","10.1021/acs.joc.7b01481","","","0.71073","MoKα","","0.0921","0.0718","","","0.2009","0.2288","","","","","","0.961","","","","has coordinates","202617","2020-10-21","18:00:00",""
"4033067","5.631","0.001","7.857","0.002","41.046","0.008","90","","90","","90","","1816","0.7","296","1","296","1","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C24 H26 O -","- C24 H26 O -","- C96 H104 O4 -","4","1","","Lankri, David; Mostinski, Yelena; Tsvelikhovsky, Dmitry","Palladium-Catalyzed Cascade Assembly of Tricyclic Spiroethers from Diene-Alcohol Precursors.","The Journal of organic chemistry","2017","82","18","9452","9463","10.1021/acs.joc.7b01481","","","0.71073","MoKα","","0.0718","0.0654","","","0.1488","0.1528","","","","","","1.167","","","","has coordinates","202617","2020-10-21","18:00:00",""
"4033068","23.131","0.004","8.671","0.002","13.663","0.002","90","","104.576","0.003","90","","2652.2","0.9","150","1","150","1","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C17 H20 O -","- C17 H20 O -","- C136 H160 O8 -","8","2","","Lankri, David; Mostinski, Yelena; Tsvelikhovsky, Dmitry","Palladium-Catalyzed Cascade Assembly of Tricyclic Spiroethers from Diene-Alcohol Precursors.","The Journal of organic chemistry","2017","82","18","9452","9463","10.1021/acs.joc.7b01481","","","0.71073","MoKα","","0.079","0.0679","","","0.1404","0.1459","","","","","","1.168","","","","has coordinates","202617","2020-10-21","18:00:00",""
"4033069","11.742","0.002","5.365","0.002","29.118","0.006","90","","93.44","0.03","90","","1831","0.8","208","2","208","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","2,6-Di(4'-methoxyphenyl)anilinium chloride","","- C20 H22 Cl N O3 -","- C20 H22 Cl N O3 -","- C80 H88 Cl4 N4 O12 -","4","1","","Simó Padial, Joan; Poater, Jordi; Nguyen, D. Thao; Tinnemans, Paul; Bickelhaupt, F. Matthias; Mecinović, Jasmin","Stabilization of 2,6-Diarylanilinum Cation by Through-Space Cation-π Interactions.","The Journal of organic chemistry","2017","82","18","9418","9424","10.1021/acs.joc.7b01406","","","0.71073","MoKα","","0.0616","0.0518","","","0.1283","0.1325","","","","","","1.212","","","","has coordinates","202618","2020-10-21","18:00:00",""
"4033070","7.4384","0.0008","11.371","0.0008","22.6158","0.0019","90","","90","","90","","1912.9","0.3","208","2","208","2","","","","","","","","5","P c a 21","P 2c -2ac","29","","2,6-Di(4'-methoxyphenyl)anilinium perchlorate","","- C20 H20 Cl N O6 -","- C20 H20 Cl N O6 -","- C80 H80 Cl4 N4 O24 -","4","1","","Simó Padial, Joan; Poater, Jordi; Nguyen, D. Thao; Tinnemans, Paul; Bickelhaupt, F. Matthias; Mecinović, Jasmin","Stabilization of 2,6-Diarylanilinum Cation by Through-Space Cation-π Interactions.","The Journal of organic chemistry","2017","82","18","9418","9424","10.1021/acs.joc.7b01406","","","0.71073","MoKα","","0.044","0.0374","","","0.0904","0.0939","","","","","","1.054","","","","has coordinates","202619","2020-10-21","18:00:00",""
"4033071","9.8054","0.0019","10.1259","0.0019","10.558","0.002","89.345","0.003","88.968","0.004","70.63","0.003","988.8","0.3","296","2","296.15","","","","","","","","","4","P -1","-P 1","2","","","","- C21 H23 N3 O4 -","- C21 H23 N3 O4 -","- C42 H46 N6 O8 -","2","1","","Cheng, Bin; Wei, Jian; Zu, Bing; Zhao, Jianfei; Wang, Taimin; Duan, Xiaoguang; Wang, Renqi; Li, Yun; Zhai, Hongbin","A Chemoselective N-Arylation Reaction of 2-Aminopyridine Derivatives with Arynes.","The Journal of organic chemistry","2017","82","18","9410","9417","10.1021/acs.joc.7b01405","","","0.71073","MoKα","","0.126","0.0638","","","0.1621","0.1957","","","","","","1.046","","","","has coordinates,has disorder","202620","2020-10-21","18:00:00",""
"4033072","27.4647","0.0017","9.7877","0.0006","17.8406","0.0011","90","","98.419","0.003","90","","4744.2","0.5","100","2","100","2","","","","","","","","3","C 1 2 1","C 2y","5","","","","- C25 H35 O5.5 -","- C25 H35 O5.5 -","- C200 H280 O44 -","8","2","","Jiménez, Fermín; Fernández, Antonio; Boulifa, Ettahir; Mansour, Ahmed Ibn; Alvarez-Manzaneda, Ramón; Chahboun, Rachid; Alvarez-Manzaneda, Enrique","Diastereoselective Intramolecular Heck Reaction Assisted by an Acetate Group: Synthesis of the Decahydrobenzofluorene Derivative Dasyscyphin E.","The Journal of organic chemistry","2017","82","18","9550","9559","10.1021/acs.joc.7b01551","","","0.71069","MoKα","","0.0373","0.0322","","","0.0721","0.0751","","","","","","1.07","","","","has coordinates","255262","2020-10-21","18:00:00",""
"4033073","9.4863","0.0002","11.1115","0.0003","38.056","0.0011","90","","90","","90","","4011.37","0.18","293","2","293","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C45 H45 N3 O6 S -","- C45 H45 N3 O6 S -","- C180 H180 N12 O24 S4 -","4","1","","Vishwanatha, Thimmalapura M.; Kurpiewska, Katarzyna; Kalinowska-Tłuścik, Justyna; Dömling, Alexander","Cysteine Isocyanide in Multicomponent Reaction: Synthesis of Peptido-Mimetic 1,3-Azoles.","The Journal of organic chemistry","2017","82","18","9585","9594","10.1021/acs.joc.7b01615","","","1.54184","CuKα","","0.0639","0.0575","","","0.1524","0.1596","","","","","","1.055","","","","has coordinates","202622","2020-10-21","18:00:00",""
"4033074","8.6788","0.0006","9.5182","0.0006","21.2735","0.0015","79.873","0.006","88.99","0.006","70.685","0.006","1631","0.2","129.95","0.1","129.95","0.1","","","","","","","","5","P 1","P 1","1","","","","- C36 H37 N3 O6 S -","- C36 H37 N3 O6 S -","- C72 H74 N6 O12 S2 -","2","2","","Vishwanatha, Thimmalapura M.; Kurpiewska, Katarzyna; Kalinowska-Tłuścik, Justyna; Dömling, Alexander","Cysteine Isocyanide in Multicomponent Reaction: Synthesis of Peptido-Mimetic 1,3-Azoles.","The Journal of organic chemistry","2017","82","18","9585","9594","10.1021/acs.joc.7b01615","","x-ray","1.54184","CuKα","","0.083","0.0641","","","0.1667","0.204","","","","","","1.012","","","","has coordinates","204142","2020-10-21","18:00:00",""
"4033075","8.512","0.002","12.733","0.004","16.119","0.004","85.958","0.006","81.538","0.006","76.058","0.006","1676","0.8","100","2","100","2","","","","","","","","6","P -1","-P 1","2","","","","- C19 H15 Cl N2 O2 S -","- C19 H15 Cl N2 O2 S -","- C76 H60 Cl4 N8 O8 S4 -","4","2","","Rassokhina, Irina V.; Tikhonova, Tatyana A.; Kobylskoy, Sergey G.; Babkin, Igor Yu; Shirinian, Valerii Z.; Gevorgyan, Vladimir; Zavarzin, Igor V.; Volkova, Yulia A.","Synthesis of Imidazo[2,1-b]thiazoles via Copper-Catalyzed A(3)-Coupling in Batch and Continuous Flow.","The Journal of organic chemistry","2017","82","18","9682","9692","10.1021/acs.joc.7b01762","","","0.71073","MoKα","","0.089","0.0496","","","0.1075","0.1276","","","","","","0.941","","","","has coordinates","202624","2020-10-21","18:00:00",""
"4033076","6.7758","0.0008","9.5853","0.0011","11.3689","0.0013","69.107","0.011","76.089","0.01","74.028","0.011","654.83","0.14","294","","294","","","","","","","","","4","P -1","-P 1","2","","(E)-Ethyl 3-(4,6-dimethyl-3-oxoisoxazolo[3,4-b]pyridin-1(3H)-yl)acrylate","","- C13 H14 N2 O4 -","- C13 H14 N2 O4 -","- C26 H28 N4 O8 -","2","1","","Sączewski, Jarosław; Fedorowicz, Joanna; Gdaniec, Maria; Wiśniewska, Paulina; Sieniawska, Emilia; Drażba, Zuzanna; Rzewnicka, Justyna; Balewski, Łukasz","The Elusive Paal-Knorr Intermediates in the Trofimov Synthesis of Pyrroles: Experimental and Theoretical Studies.","The Journal of organic chemistry","2017","82","18","9737","9743","10.1021/acs.joc.7b01851","","x-ray","0.71073","MoKα","","0.0763","0.0496","","","0.1449","0.1678","","","","","","1.044","","","","has coordinates","202625","2020-10-21","18:00:00",""
"4033077","4.0791","0.0001","8.7997","0.0002","19.3763","0.0004","90","","92.115","0.002","90","","695.04","0.03","297.4","0.14","297.4","0.14","","","","","","","","4","P 1 21 1","P 2yb","4","","(E)-Ethyl 3-(4,6-dimethyl-3- oxoisoxazolo[3,4-b]pyridin-1(3H)-yl)but-2-enoate (2b)","","- C14 H16 N2 O4 -","- C14 H16 N2 O4 -","- C28 H32 N4 O8 -","2","1","","Sączewski, Jarosław; Fedorowicz, Joanna; Gdaniec, Maria; Wiśniewska, Paulina; Sieniawska, Emilia; Drażba, Zuzanna; Rzewnicka, Justyna; Balewski, Łukasz","The Elusive Paal-Knorr Intermediates in the Trofimov Synthesis of Pyrroles: Experimental and Theoretical Studies.","The Journal of organic chemistry","2017","82","18","9737","9743","10.1021/acs.joc.7b01851","","x-ray","1.54184","CuKα","","0.0327","0.0315","","","0.0819","0.0834","","","","","","1.059","","","","has coordinates","202625","2020-10-21","18:00:00",""
"4033078","4.98625","0.00015","15.4076","0.0005","14.7032","0.0005","90","","97.361","0.003","90","","1120.28","0.06","130.15","","130.15","","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","(E)-4,6-Dimethyl-1-(3-oxobut-1-enyl)isoxazolo[3,4-b]pyridin-3(1H)-one","","- C12 H12 N2 O3 -","- C12 H12 N2 O3 -","- C48 H48 N8 O12 -","4","1","","Sączewski, Jarosław; Fedorowicz, Joanna; Gdaniec, Maria; Wiśniewska, Paulina; Sieniawska, Emilia; Drażba, Zuzanna; Rzewnicka, Justyna; Balewski, Łukasz","The Elusive Paal-Knorr Intermediates in the Trofimov Synthesis of Pyrroles: Experimental and Theoretical Studies.","The Journal of organic chemistry","2017","82","18","9737","9743","10.1021/acs.joc.7b01851","","","1.54184","CuKα","","0.0416","0.0372","","","0.1005","0.1042","","","","","","1.06","","","","has coordinates","202625","2020-10-21","18:00:00",""
"4033079","12.5735","0.0006","6.9794","0.0003","15.562","0.0008","90","","107.943","0.005","90","","1299.23","0.11","294.67","0.1","294.67","0.1","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","(Z)-Ethyl 3-(4,6-dimethyl-3-oxoisoxazolo[3,4-b]pyridin-1(3H)-yl)acrylate","","- C13 H14 N2 O4 -","- C13 H14 N2 O4 -","- C52 H56 N8 O16 -","4","1","","Sączewski, Jarosław; Fedorowicz, Joanna; Gdaniec, Maria; Wiśniewska, Paulina; Sieniawska, Emilia; Drażba, Zuzanna; Rzewnicka, Justyna; Balewski, Łukasz","The Elusive Paal-Knorr Intermediates in the Trofimov Synthesis of Pyrroles: Experimental and Theoretical Studies.","The Journal of organic chemistry","2017","82","18","9737","9743","10.1021/acs.joc.7b01851","","x-ray","0.71073","MoKα","","0.0903","0.0527","","","0.1346","0.157","","","","","","1.058","","","","has coordinates","202625","2020-10-21","18:00:00",""
"4033080","3.83581","0.00005","9.67555","0.0001","31.0045","0.0004","90","","90.1572","0.0011","90","","1150.68","0.02","293","","293","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","(E)-1-(3-Oxobut-1-enyl)isoxazolo[3,4-b]quinolin-3(1H)-one","","- C14 H10 N2 O3 -","- C14 H10 N2 O3 -","- C56 H40 N8 O12 -","4","1","","Sączewski, Jarosław; Fedorowicz, Joanna; Gdaniec, Maria; Wiśniewska, Paulina; Sieniawska, Emilia; Drażba, Zuzanna; Rzewnicka, Justyna; Balewski, Łukasz","The Elusive Paal-Knorr Intermediates in the Trofimov Synthesis of Pyrroles: Experimental and Theoretical Studies.","The Journal of organic chemistry","2017","82","18","9737","9743","10.1021/acs.joc.7b01851","","x-ray","1.54184","CuKα","","0.0415","0.0388","","","0.0999","0.1027","","","","","","1.041","","","","has coordinates","202625","2020-10-21","18:00:00",""
"4033081","8.2258","0.0004","11.9963","0.0006","14.8642","0.0008","79.378","0.004","77.597","0.004","76.203","0.004","1377.45","0.13","294.74","0.1","294.74","0.1","","","","","","","","4","P -1","-P 1","2","","(2E,3E)-Diethyl 2-(((E)-3-ethoxy-3-oxoprop-1-enyloxy)methylene)-3-((3-(ethoxycarbonyl)-4,6-dimethylpyridin-2-ylamino)methylene)succinate","","- C25 H32 N2 O9 -","- C25 H32 N2 O9 -","- C50 H64 N4 O18 -","2","1","","Sączewski, Jarosław; Fedorowicz, Joanna; Gdaniec, Maria; Wiśniewska, Paulina; Sieniawska, Emilia; Drażba, Zuzanna; Rzewnicka, Justyna; Balewski, Łukasz","The Elusive Paal-Knorr Intermediates in the Trofimov Synthesis of Pyrroles: Experimental and Theoretical Studies.","The Journal of organic chemistry","2017","82","18","9737","9743","10.1021/acs.joc.7b01851","","x-ray","0.71073","MoKα","","0.0973","0.0641","","","0.1604","0.1825","","","","","","1.035","","","","has coordinates","202625","2020-10-21","18:00:00",""
"4033082","8.8727","0.0006","11.1374","0.0007","15.4529","0.0009","100.611","0.005","95.091","0.005","112.613","0.006","1363.95","0.17","294.74","0.1","294.74","0.1","","","","","","","","4","P -1","-P 1","2","","(2E,3E)-Diethyl 2-(((E)-3-ethoxy-3-oxoprop-1-enyloxy)methylene)-3-((3-(ethoxycarbonyl)quinolin-2-ylamino)methylene)succinate","","- C27 H30 N2 O9 -","- C27 H30 N2 O9 -","- C54 H60 N4 O18 -","2","1","","Sączewski, Jarosław; Fedorowicz, Joanna; Gdaniec, Maria; Wiśniewska, Paulina; Sieniawska, Emilia; Drażba, Zuzanna; Rzewnicka, Justyna; Balewski, Łukasz","The Elusive Paal-Knorr Intermediates in the Trofimov Synthesis of Pyrroles: Experimental and Theoretical Studies.","The Journal of organic chemistry","2017","82","18","9737","9743","10.1021/acs.joc.7b01851","","x-ray","0.71073","MoKα","","0.0659","0.0453","","","0.1138","0.128","","","","","","1.038","","","","has coordinates,has disorder","202625","2020-10-21","18:00:00",""
"4033083","10.9426","0.0006","17.63","0.0011","8.9922","0.0005","90","","112.155","0.005","90","","1606.68","0.17","294","","294","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","Ethyl 2-(3-ethoxy-3-oxopropanamido)-4,6-dimethylnicotinate","","- C15 H20 N2 O5 -","- C15 H20 N2 O5 -","- C60 H80 N8 O20 -","4","1","","Sączewski, Jarosław; Fedorowicz, Joanna; Gdaniec, Maria; Wiśniewska, Paulina; Sieniawska, Emilia; Drażba, Zuzanna; Rzewnicka, Justyna; Balewski, Łukasz","The Elusive Paal-Knorr Intermediates in the Trofimov Synthesis of Pyrroles: Experimental and Theoretical Studies.","The Journal of organic chemistry","2017","82","18","9737","9743","10.1021/acs.joc.7b01851","","x-ray","0.71073","MoKα","","0.0787","0.05","","","0.123","0.1396","","","","","","1.033","","","","has coordinates,has disorder","202625","2020-10-21","18:00:00",""
"4033084","11.124","0.002","9.3717","0.0019","19.35","0.004","90","","92.32","0.03","90","","2015.6","0.7","113","2","113","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C26 H19 O P S -","- C26 H19 O P S -","- C104 H76 O4 P4 S4 -","4","1","","Wang, Huanan; Wang, Baiquan; Li, Bin","Synthesis of 3-Arylbenzofuran-2-ylphosphines via Rhodium-Catalyzed Redox-Neutral C-H Activation and Their Applications in Palladium-Catalyzed Cross-Coupling of Aryl Chlorides.","The Journal of organic chemistry","2017","82","18","9560","9569","10.1021/acs.joc.7b01566","","","0.71073","MoKα","","0.0482","0.0392","","","0.1062","0.1115","","","","","","1.062","","","","has coordinates","202626","2020-10-21","18:00:00",""
"4033085","9.7031","0.0008","10.2466","0.0005","12.6418","0.001","112.471","0.005","90.022","0.007","107.012","0.006","1101.65","0.15","113","2","113.15","","","","","","","","","5","P -1","-P 1","2","","","","- C26 H31 O P S -","- C26 H31 O P S -","- C52 H62 O2 P2 S2 -","2","1","","Wang, Huanan; Wang, Baiquan; Li, Bin","Synthesis of 3-Arylbenzofuran-2-ylphosphines via Rhodium-Catalyzed Redox-Neutral C-H Activation and Their Applications in Palladium-Catalyzed Cross-Coupling of Aryl Chlorides.","The Journal of organic chemistry","2017","82","18","9560","9569","10.1021/acs.joc.7b01566","","","0.71073","MoKα","","0.0303","0.0285","","","0.0793","0.0803","","","","","","1.053","","","","has coordinates","202626","2020-10-21","18:00:00",""
"4033086","9.728","0.003","15.946","0.004","13.081","0.003","90","","105.066","0.007","90","","1959.4","0.9","113","2","113","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C26 H19 O2 P -","- C26 H19 O2 P -","- C104 H76 O8 P4 -","4","1","","Wang, Huanan; Wang, Baiquan; Li, Bin","Synthesis of 3-Arylbenzofuran-2-ylphosphines via Rhodium-Catalyzed Redox-Neutral C-H Activation and Their Applications in Palladium-Catalyzed Cross-Coupling of Aryl Chlorides.","The Journal of organic chemistry","2017","82","18","9560","9569","10.1021/acs.joc.7b01566","","","0.71073","MoKα","","0.0408","0.0344","","","0.0882","0.0928","","","","","","1.026","","","","has coordinates","202626","2020-10-21","18:00:00",""
"4033087","16.654","0.005","16.844","0.004","16.96","0.005","90","","113.798","0.006","90","","4353","2","113","2","113","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C27 H21 O2 P S -","- C27 H21 O2 P S -","- C216 H168 O16 P8 S8 -","8","2","","Wang, Huanan; Wang, Baiquan; Li, Bin","Synthesis of 3-Arylbenzofuran-2-ylphosphines via Rhodium-Catalyzed Redox-Neutral C-H Activation and Their Applications in Palladium-Catalyzed Cross-Coupling of Aryl Chlorides.","The Journal of organic chemistry","2017","82","18","9560","9569","10.1021/acs.joc.7b01566","","","0.71073","MoKα","","0.0345","0.0304","","","0.0811","0.083","","","","","","1.037","","","","has coordinates","202626","2020-10-21","18:00:00",""
"4033088","16.615","0.002","16.577","0.002","16.859","0.003","90","","113.608","0.003","90","","4254.8","1.1","113","2","113","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C26 H18 Cl O P S -","- C26 H18 Cl O P S -","- C208 H144 Cl8 O8 P8 S8 -","8","2","","Wang, Huanan; Wang, Baiquan; Li, Bin","Synthesis of 3-Arylbenzofuran-2-ylphosphines via Rhodium-Catalyzed Redox-Neutral C-H Activation and Their Applications in Palladium-Catalyzed Cross-Coupling of Aryl Chlorides.","The Journal of organic chemistry","2017","82","18","9560","9569","10.1021/acs.joc.7b01566","","","0.71073","MoKα","","0.0302","0.0271","","","0.0755","0.0766","","","","","","1.062","","","","has coordinates","202626","2020-10-21","18:00:00",""
"4033089","12.193","0.002","12.336","0.002","14.229","0.002","90","","99.021","0.005","90","","2113.8","0.6","113","2","113","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C26 H31 O P -","- C26 H31 O P -","- C104 H124 O4 P4 -","4","1","","Wang, Huanan; Wang, Baiquan; Li, Bin","Synthesis of 3-Arylbenzofuran-2-ylphosphines via Rhodium-Catalyzed Redox-Neutral C-H Activation and Their Applications in Palladium-Catalyzed Cross-Coupling of Aryl Chlorides.","The Journal of organic chemistry","2017","82","18","9560","9569","10.1021/acs.joc.7b01566","","","0.71073","MoKα","","0.0345","0.0305","","","0.0829","0.0854","","","","","","1.059","","","","has coordinates","202626","2020-10-21","18:00:00",""
"4033090","8.8777","0.0002","10.5133","0.0003","10.7419","0.0003","92.713","0.001","109.356","0.001","114.653","0.001","839.32","0.04","100","2","100","2","","","","","","","","4","P -1","-P 1","2","","","","- C22 H19 N O3 -","- C22 H19 N O3 -","- C44 H38 N2 O6 -","2","1","","Srinivas, Kolluru; Sharma, Rashmi; Ramana, Chepuri V.","Interrupting Base-Mediated Benzofuran Ring Transformation with Michael Acceptors.","The Journal of organic chemistry","2017","82","18","9816","9823","10.1021/acs.joc.7b01267","","","0.71073","MoKα","","0.0491","0.0463","","","0.116","0.118","","","","","","1.049","","","","has coordinates","202627","2020-10-21","18:00:00",""
"4033091","12.2869","0.0011","6.2004","0.0005","15.4191","0.0011","90","","90","","90","","1174.68","0.16","293","2","293","2","","","","","","","","4","P c a 21","P 2c -2ac","29","","","","- C15 H11 N O2 -","- C15 H11 N O2 -","- C60 H44 N4 O8 -","4","1","","Bai, Dachang; Jia, Qingqian; Xu, Teng; Zhang, Qiuqiu; Wu, Fen; Ma, Chaorui; Liu, Bingxian; Chang, Junbiao; Li, Xingwei","Rhodium(III)-Catalyzed C-H Activation of Nitrones and Annulative Coupling with Nitroalkenes.","The Journal of organic chemistry","2017","82","18","9877","9884","10.1021/acs.joc.7b01574","","","0.71073","MoKα","","0.0433","0.0379","","","0.1007","0.107","","","","","","1.041","","","","has coordinates","202628","2020-10-21","18:00:00",""
"4033092","5.58762","0.00007","8.03454","0.00008","25.9706","0.0003","90","","90","","90","","1165.92","0.02","150","0.1","150","0.1","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C14 H16 N2 -","- C14 H16 N2 -","- C56 H64 N8 -","4","1","","Yu, Yue; Chen, Yang; Huang, Wei; Wu, Wanqing; Jiang, Huanfeng","One-Pot Synthesis of Spirocyclic or Fused Pyrazoles from Cyclic Ketones: Calcium Carbide as the Carbon Source in Ring Expansion.","The Journal of organic chemistry","2017","82","18","9479","9486","10.1021/acs.joc.7b01496","","x-ray","1.54184","CuKα","","0.0305","0.0293","","","0.0741","0.075","","","","","","1.084","","","","has coordinates","202629","2020-10-21","18:00:00",""
"4033093","5.751","0.0002","8.5852","0.0004","41.6195","0.0017","90","","90","","90","","2054.9","0.15","293","2","293","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C23 H31 O P -","- C23 H31 O P -","- C92 H124 O4 P4 -","4","1","","Nie, Shao-Zhen; Zhou, Zhong-Yang; Wang, Ji-Ping; Yan, Hui; Wen, Jing-Hong; Ye, Jing-Jing; Cui, Yun-Yao; Zhao, Chang-Qiu","Nonepimerizing Alkylation of H-P Species to Stereospecifically Generate P-Stereogenic Phosphine Oxides: A Shortcut to Bidentate Tertiary Phosphine Ligands.","The Journal of organic chemistry","2017","82","18","9425","9434","10.1021/acs.joc.7b01413","","","1.54184","CuKα","","0.0466","0.0434","","","0.1019","0.1036","","","","","","1.138","","","","has coordinates","202630","2020-10-21","18:00:00",""
"4033094","10.2211","0.0007","18.2509","0.0011","10.5603","0.0006","90","","107.925","0.002","90","","1874.3","0.2","296","2","296","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C20 H20 N2 O5 -","- C20 H20 N2 O5 -","- C80 H80 N8 O20 -","4","1","","Jiang, Shengsheng; Li, Kai; Yan, Jun; Shi, Kuangxi; Zhao, Chengtao; Yang, Limin; Zhong, Guofu","Synthetic Access to Oxazolidin-4-ones via Elimination/[3+2] Cycloaddition Reaction.","The Journal of organic chemistry","2017","82","18","9779","9785","10.1021/acs.joc.7b00547","","","0.71073","MoKα","","0.1112","0.0522","","","0.0871","0.1165","","","","","","1.004","","","","has coordinates","202631","2020-10-21","18:00:00",""
"4033095","9.9297","0.0006","20.0787","0.0015","8.6718","0.0007","90","","102.943","0.002","90","","1685","0.2","296","2","296","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C17 H21 N O3 -","- C17 H21 N O3 -","- C68 H84 N4 O12 -","4","1","","Jiang, Shengsheng; Li, Kai; Yan, Jun; Shi, Kuangxi; Zhao, Chengtao; Yang, Limin; Zhong, Guofu","Synthetic Access to Oxazolidin-4-ones via Elimination/[3+2] Cycloaddition Reaction.","The Journal of organic chemistry","2017","82","18","9779","9785","10.1021/acs.joc.7b00547","","","0.71073","MoKα","","0.1391","0.0787","","","0.1264","0.1497","","","","","","1.001","","","","has coordinates","202632","2020-10-21","18:00:00",""
"4033096","18.2219","0.0007","8.5559","0.0003","21.5811","0.0008","90","","90.875","0.002","90","","3364.2","0.2","296","2","296","2","","","","","","","","6","C 1 2 1","C 2y","5","","","","- C32 H33 Br N2 O8 S -","- C32 H33 Br N2 O8 S -","- C128 H132 Br4 N8 O32 S4 -","4","1","","Zheng, Yu; Wang, Jing; Xia, Peng-Ju; Zhao, Qing-Lan; Xiao, Jun-An; Xiang, Hao-Yue; Chen, Xiao-Qing; Yang, Hua","Organocatalytic Asymmetric Allylic Alkylation of Morita-Baylis-Hillman Carbonates with Diethyl 2-Aminomalonate Assisted by In Situ Protection.","The Journal of organic chemistry","2017","82","23","12202","12208","10.1021/acs.joc.7b02064","","","0.71073","MoKα","","0.0623","0.0499","","","0.1305","0.1355","","","","","","1.124","","","","has coordinates","258458","2020-10-21","18:00:00",""
"4033097","9.9789","0.0007","7.0934","0.0005","11.0379","0.0007","90","","115.725","0.0012","90","","703.87","0.08","150","2","150","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C14 H14 Br N O5 -","- C14 H14 Br N O5 -","- C28 H28 Br2 N2 O10 -","2","1","","Hsieh, Yu-You; Raja, Arun; Hong, Bor-Cherng; Kotame, Prakash; Chang, Wan-Chen; Lee, Gene-Hsiang","Organocatalytic Enantioselective Michael-Acetalization-Henry Reaction Cascade of 2-Hydroxynitrostyrene and 5-Oxohexanal for the Entry to the Hexahydro-6H-benzo[c]chromenones with Four Consecutive Stereogenic Centers and an Approach to Aflatoxin Analogues.","The Journal of organic chemistry","2017","82","23","12840","12848","10.1021/acs.joc.7b02178","","","0.71073","MoKα","","0.0424","0.0397","","","0.0978","0.0993","","","","","","1.049","","","","has coordinates","204840","2020-10-21","18:00:00",""
"4033098","9.9791","0.0006","7.0599","0.0004","10.8562","0.0007","90","","115.146","0.001","90","","692.35","0.07","150","2","150","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C14 H14 Cl N O5 -","- C14 H14 Cl N O5 -","- C28 H28 Cl2 N2 O10 -","2","1","","Hsieh, Yu-You; Raja, Arun; Hong, Bor-Cherng; Kotame, Prakash; Chang, Wan-Chen; Lee, Gene-Hsiang","Organocatalytic Enantioselective Michael-Acetalization-Henry Reaction Cascade of 2-Hydroxynitrostyrene and 5-Oxohexanal for the Entry to the Hexahydro-6H-benzo[c]chromenones with Four Consecutive Stereogenic Centers and an Approach to Aflatoxin Analogues.","The Journal of organic chemistry","2017","82","23","12840","12848","10.1021/acs.joc.7b02178","","","0.71073","MoKα","","0.0355","0.0335","","","0.0818","0.0832","","","","","","1.024","","","","has coordinates","204840","2020-10-21","18:00:00",""
"4033099","28.295","0.004","4.8587","0.0006","13.2","0.0017","90","","97.994","0.002","90","","1797.1","0.4","200","2","200","2","","","","","","","","3","C 1 2 1","C 2y","5","","","","- C18 H26 O7 -","- C18 H26 O7 -","- C72 H104 O28 -","4","1","","Hsieh, Yu-You; Raja, Arun; Hong, Bor-Cherng; Kotame, Prakash; Chang, Wan-Chen; Lee, Gene-Hsiang","Organocatalytic Enantioselective Michael-Acetalization-Henry Reaction Cascade of 2-Hydroxynitrostyrene and 5-Oxohexanal for the Entry to the Hexahydro-6H-benzo[c]chromenones with Four Consecutive Stereogenic Centers and an Approach to Aflatoxin Analogues.","The Journal of organic chemistry","2017","82","23","12840","12848","10.1021/acs.joc.7b02178","","","0.71073","MoKα","","0.1156","0.0716","","","0.1599","0.1924","","","","","","1.019","","","","has coordinates,has disorder","204840","2020-10-21","18:00:00",""
"4033100","8.8038","0.0014","17.766","0.003","13.229","0.002","90","","105.812","0.005","90","","1990.8","0.6","120","2","120","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C23 H23 Cl N2 O2 -","- C23 H23 Cl N2 O2 -","- C92 H92 Cl4 N8 O8 -","4","1","","Balalaie, Saeed; Ramezani Kejani, Reihaneh; Ghabraie, Elmira; Darvish, Fatemeh; Rominger, Frank; Hamdan, Fatima; Bijanzadeh, Hamid Reza","Diastereoselective Synthesis of Functionalized Diketopiperazines through Post-transformational Reactions.","The Journal of organic chemistry","2017","82","23","12141","12152","10.1021/acs.joc.7b01855","","","0.71073","MoKα","","0.077","0.0515","","","0.0971","0.1111","","","","","","1.06","","","","has coordinates","204846","2020-10-21","18:00:00",""
"4033101","9.0717","0.0011","11.0319","0.0012","13.525","0.0018","89.234","0.003","71.16","0.003","75.601","0.003","1237.5","0.3","110","2","110","2","","","","","","","","4","P -1","-P 1","2","","","","- C30 H30 N2 O2 -","- C30 H30 N2 O2 -","- C60 H60 N4 O4 -","2","1","","Balalaie, Saeed; Ramezani Kejani, Reihaneh; Ghabraie, Elmira; Darvish, Fatemeh; Rominger, Frank; Hamdan, Fatima; Bijanzadeh, Hamid Reza","Diastereoselective Synthesis of Functionalized Diketopiperazines through Post-transformational Reactions.","The Journal of organic chemistry","2017","82","23","12141","12152","10.1021/acs.joc.7b01855","","","0.71073","MoKα","","0.0846","0.0557","","","0.1107","0.131","","","","","","1.111","","","","has coordinates","204846","2020-10-21","18:00:00",""
"4033102","6.2831","0.0007","12.7652","0.0014","13.3011","0.0014","83.604","0.008","84.3","0.009","89.56","0.009","1054.9","0.2","296","2","296","2","","","","","","","","4","P -1","-P 1","2","","","","- C25 H29 N O -","- C25 H29 N O -","- C50 H58 N2 O2 -","2","1","","Gattu, Radhakrishna; Bagdi, Prasanta Ray; Basha, R. Sidick; Khan, Abu T.","Camphorsulfonic Acid Catalyzed One-Pot Three-Component Reaction for the Synthesis of Fused Quinoline and Benzoquinoline Derivatives.","The Journal of organic chemistry","2017","82","23","12416","12429","10.1021/acs.joc.7b02159","","","0.71073","MoKα","","0.1829","0.0932","","","0.1957","0.2463","","","","","","0.975","","","","has coordinates","204853","2020-10-21","18:00:00",""
"4033103","10.3709","0.0013","16.766","0.002","10.7394","0.0013","90","","114.581","0.006","90","","1698.1","0.4","296","2","296","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C22 H19 N S -","- C22 H19 N S -","- C88 H76 N4 S4 -","4","1","","Gattu, Radhakrishna; Bagdi, Prasanta Ray; Basha, R. Sidick; Khan, Abu T.","Camphorsulfonic Acid Catalyzed One-Pot Three-Component Reaction for the Synthesis of Fused Quinoline and Benzoquinoline Derivatives.","The Journal of organic chemistry","2017","82","23","12416","12429","10.1021/acs.joc.7b02159","","","0.71073","MoKα","","0.0925","0.0566","","","0.2041","0.2349","","","","","","0.906","","","","has coordinates","204853","2020-10-21","18:00:00",""
"4033104","8.4733","0.001","8.8139","0.001","32.111","0.003","90","","92.043","0.011","90","","2396.6","0.5","293","2","293","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C31 H27 N O4 -","- C31 H27 N O4 -","- C124 H108 N4 O16 -","4","1","","Gattu, Radhakrishna; Bagdi, Prasanta Ray; Basha, R. Sidick; Khan, Abu T.","Camphorsulfonic Acid Catalyzed One-Pot Three-Component Reaction for the Synthesis of Fused Quinoline and Benzoquinoline Derivatives.","The Journal of organic chemistry","2017","82","23","12416","12429","10.1021/acs.joc.7b02159","","","0.71073","MoKα","","0.1216","0.0642","","","0.1657","0.2271","","","","","","0.918","","","","has coordinates","204853","2020-10-21","18:00:00",""
"4033105","9.1124","0.0009","9.1345","0.001","10.9267","0.0012","113.534","0.007","97.413","0.007","108.934","0.007","752.86","0.16","293","2","293","2","","","","","","","","4","P -1","-P 1","2","","","","- C21 H17 N O -","- C21 H17 N O -","- C42 H34 N2 O2 -","2","1","","Gattu, Radhakrishna; Bagdi, Prasanta Ray; Basha, R. Sidick; Khan, Abu T.","Camphorsulfonic Acid Catalyzed One-Pot Three-Component Reaction for the Synthesis of Fused Quinoline and Benzoquinoline Derivatives.","The Journal of organic chemistry","2017","82","23","12416","12429","10.1021/acs.joc.7b02159","","","0.71073","MoKα","","0.089","0.0463","","","0.1006","0.1168","","","","","","0.976","","","","has coordinates","204853","2020-10-21","18:00:00",""
"4033106","7.3419","0.0007","15.3072","0.0012","14.5765","0.0014","90","","90.222","0.01","90","","1638.2","0.3","296","2","296","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C40 H40 Cl N O2 -","- C40 H40 Cl N O2 -","- C80 H80 Cl2 N2 O4 -","2","1","","Gattu, Radhakrishna; Bagdi, Prasanta Ray; Basha, R. Sidick; Khan, Abu T.","Camphorsulfonic Acid Catalyzed One-Pot Three-Component Reaction for the Synthesis of Fused Quinoline and Benzoquinoline Derivatives.","The Journal of organic chemistry","2017","82","23","12416","12429","10.1021/acs.joc.7b02159","","","0.71073","MoKα","","0.0664","0.0448","","","0.101","0.1185","","","","","","1.014","","","","has coordinates","204853","2020-10-21","18:00:00",""
"4033107","10.2452","0.0008","10.4468","0.0008","10.9779","0.0009","77.834","0.007","86.634","0.007","71.187","0.007","1087.16","0.16","293","2","293","2","","","","","","","","3","P -1","-P 1","2","","","","- C28 H31 N -","- C28 H31 N -","- C56 H62 N2 -","2","1","","Gattu, Radhakrishna; Bagdi, Prasanta Ray; Basha, R. Sidick; Khan, Abu T.","Camphorsulfonic Acid Catalyzed One-Pot Three-Component Reaction for the Synthesis of Fused Quinoline and Benzoquinoline Derivatives.","The Journal of organic chemistry","2017","82","23","12416","12429","10.1021/acs.joc.7b02159","","","0.71073","MoKα","","0.1074","0.064","","","0.1483","0.1841","","","","","","1.039","","","","has coordinates","204853","2020-10-21","18:00:00",""
"4033108","13.167","0.003","3.8642","0.0006","25.147","0.004","90","","99.037","0.008","90","","1263.6","0.4","296","2","296.15","","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C16 H11 N3 O2 -","- C16 H11 N3 O2 -","- C64 H44 N12 O8 -","4","1","","Mishra, Aniket; Vats, Tripta Kumari; Nair, Mahesh P.; Das, Arindam; Deb, Indubhusan","Rhodium-Catalyzed sp2 C-H Acetoxylation of N-Aryl Azaindoles/N-Heteroaryl Indolines.","The Journal of organic chemistry","2017","82","23","12406","12415","10.1021/acs.joc.7b02203","","","0.71073","MoKα","","0.0577","0.0389","","","0.1039","0.1106","","","","","","1.05","","","","has coordinates","204871","2020-10-21","18:00:00",""
"4033109","10.9695","0.0003","14.7196","0.0003","15.6452","0.0004","90","","90","","90","","2526.18","0.11","296","2","296.15","","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C14 H13 N3 O2 -","- C14 H13 N3 O2 -","- C112 H104 N24 O16 -","8","1","","Mishra, Aniket; Vats, Tripta Kumari; Nair, Mahesh P.; Das, Arindam; Deb, Indubhusan","Rhodium-Catalyzed sp2 C-H Acetoxylation of N-Aryl Azaindoles/N-Heteroaryl Indolines.","The Journal of organic chemistry","2017","82","23","12406","12415","10.1021/acs.joc.7b02203","","","0.71073","MoKα","","0.0425","0.0379","","","0.0964","0.1009","","","","","","1.069","","","","has coordinates","204871","2020-10-21","18:00:00",""
"4033110","5.774","","14.657","","12.222","","90","","101.02","","90","","1015.27","","293","2","293","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C22 H20 N4 O2 S -","- C22 H19 N4 O2 S -","- C44 H38 N8 O4 S2 -","2","1","","Zheng, Guangfan; Sun, Jiaqiong; Liu, Yang; Yang, Shengbiao; Li, Yan; Sun, Haizhu; Zhang, Qian","Copper-Catalyzed Azidative Multifunctionalization of Alkynes.","The Journal of organic chemistry","2017","82","23","12813","12820","10.1021/acs.joc.7b02148","","","0.71073","MoKα","","0.0865","0.0509","","","0.1267","0.1517","","","","","","0.859","","","","has coordinates","204828","2020-10-21","18:00:00",""
"4033111","17.066","0.003","12.178","0.002","16.125","0.003","90","","90","","90","","3351.3","1","293","2","293","2","","","","","","","","5","P c c n","-P 2ab 2ac","56","","","","- C12 H12 B N O2 -","- C12 H12 B N O2 -","- C144 H144 B12 N12 O24 -","12","1.5","","Zhang, Ying; Sun, Feiye; Dan, Wenyan; Fang, Xiangdong","Friedel-Crafts Acylation Reactions of BN-Substituted Arenes.","The Journal of organic chemistry","2017","82","23","12877","12887","10.1021/acs.joc.7b02343","","","0.71073","MoKα","","0.0809","0.0686","","","0.1909","0.2038","","","","","","1.065","","","","has coordinates","204834","2020-10-21","18:00:00",""
"4033112","7.6993","0.0011","16.097","0.002","13.712","0.002","90","","94.426","0.008","90","","1694.3","0.4","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C18 H24 B N O -","- C18 H24 B N O -","- C72 H96 B4 N4 O4 -","4","1","","Zhang, Ying; Sun, Feiye; Dan, Wenyan; Fang, Xiangdong","Friedel-Crafts Acylation Reactions of BN-Substituted Arenes.","The Journal of organic chemistry","2017","82","23","12877","12887","10.1021/acs.joc.7b02343","","","0.71073","MoKα","","0.0996","0.0597","","","0.159","0.1841","","","","","","1.039","","","","has coordinates","204834","2020-10-21","18:00:00",""
"4033113","7.6038","0.0005","16.0985","0.001","13.4899","0.0009","90","","93.173","0.002","90","","1648.76","0.19","123","2","123","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C17 H23 B N2 O -","- C17 H23 B N2 O -","- C68 H92 B4 N8 O4 -","4","1","","Zhang, Ying; Sun, Feiye; Dan, Wenyan; Fang, Xiangdong","Friedel-Crafts Acylation Reactions of BN-Substituted Arenes.","The Journal of organic chemistry","2017","82","23","12877","12887","10.1021/acs.joc.7b02343","","","0.71073","MoKα","","0.1194","0.0776","","","0.1893","0.2094","","","","","","1.04","","","","has coordinates","204834","2020-10-21","18:00:00",""
"4033114","13.233","0.006","7.758","0.003","16.663","0.007","90","","105.564","0.011","90","","1647.9","1.2","293","2","293","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C16 H19 B I N O -","- C16 H19 B I N O -","- C64 H76 B4 I4 N4 O4 -","4","1","","Zhang, Ying; Sun, Feiye; Dan, Wenyan; Fang, Xiangdong","Friedel-Crafts Acylation Reactions of BN-Substituted Arenes.","The Journal of organic chemistry","2017","82","23","12877","12887","10.1021/acs.joc.7b02343","","","0.71073","MoKα","","0.0448","0.0367","","","0.0901","0.0944","","","","","","1.079","","","","has coordinates","204834","2020-10-21","18:00:00",""
"4033115","6.201","0.003","14.303","0.005","15.463","0.007","90","","90","","90","","1371.5","1","296","2","296","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C16 H14 B N O2 -","- C16 H14 B N O2 -","- C64 H56 B4 N4 O8 -","4","1","","Zhang, Ying; Sun, Feiye; Dan, Wenyan; Fang, Xiangdong","Friedel-Crafts Acylation Reactions of BN-Substituted Arenes.","The Journal of organic chemistry","2017","82","23","12877","12887","10.1021/acs.joc.7b02343","","","0.71073","MoKα","","0.1119","0.0603","","","0.1448","0.1708","","","","","","0.948","","","","has coordinates","204834","2020-10-21","18:00:00",""
"4033116","7.764","0.003","21.061","0.008","8.476","0.003","90","","111.392","0.011","90","","1290.5","0.8","293","2","293","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C16 H14 B N O -","- C16 H14 B N O -","- C64 H56 B4 N4 O4 -","4","1","","Zhang, Ying; Sun, Feiye; Dan, Wenyan; Fang, Xiangdong","Friedel-Crafts Acylation Reactions of BN-Substituted Arenes.","The Journal of organic chemistry","2017","82","23","12877","12887","10.1021/acs.joc.7b02343","","","0.71073","MoKα","","0.0434","0.0399","","","0.1078","0.1112","","","","","","1.043","","","","has coordinates","204834","2020-10-21","18:00:00",""
"4033117","8.1911","0.0005","9.4733","0.0006","12.3973","0.0007","111.95","0.002","97.068","0.002","93.448","0.003","879.57","0.09","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C22 H18 B N O2 -","- C22 H18 B N O2 -","- C44 H36 B2 N2 O4 -","2","1","","Zhang, Ying; Sun, Feiye; Dan, Wenyan; Fang, Xiangdong","Friedel-Crafts Acylation Reactions of BN-Substituted Arenes.","The Journal of organic chemistry","2017","82","23","12877","12887","10.1021/acs.joc.7b02343","","","0.71073","MoKα","","0.0639","0.043","","","0.1064","0.1195","","","","","","1.021","","","","has coordinates,has disorder","204834","2020-10-21","18:00:00",""
"4033118","7.5743","0.0003","9.7671","0.0003","11.9956","0.0004","74.985","0.001","82.007","0.001","70.923","0.001","808.61","0.05","170","2","170","2","","","","","","","","5","P -1","-P 1","2","","","","- C18 H22 B N O -","- C18 H22 B N O -","- C36 H44 B2 N2 O2 -","2","1","","Zhang, Ying; Sun, Feiye; Dan, Wenyan; Fang, Xiangdong","Friedel-Crafts Acylation Reactions of BN-Substituted Arenes.","The Journal of organic chemistry","2017","82","23","12877","12887","10.1021/acs.joc.7b02343","","","0.71073","MoKα","","0.0564","0.0484","","","0.1331","0.1404","","","","","","1.047","","","","has coordinates","204834","2020-10-21","18:00:00",""
"4033119","13.9639","0.0018","9.1183","0.0011","16.431","0.002","90","","90","","90","","2092.1","0.4","293","2","293","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C12 H12 B N O -","- C12 H12 B N O -","- C96 H96 B8 N8 O8 -","8","1","","Zhang, Ying; Sun, Feiye; Dan, Wenyan; Fang, Xiangdong","Friedel-Crafts Acylation Reactions of BN-Substituted Arenes.","The Journal of organic chemistry","2017","82","23","12877","12887","10.1021/acs.joc.7b02343","","","1.54178","CuKα","","0.0806","0.0655","","","0.1815","0.1941","","","","","","1.065","","","","has coordinates","204834","2020-10-21","18:00:00",""
"4033120","23.2457","0.001","9.0807","0.0004","18.6858","0.0009","90","","96.79","0.004","90","","3916.7","0.3","293","2","293","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C25 H21 N O2 -","- C25 H21 N O2 -","- C200 H168 N8 O16 -","8","2","","Xia, Yu; Wang, Li-Jing; Wang, Jia; Chen, Si; Shen, Yi; Guo, Chun-Huan; Liang, Yong-Min","Palladium-Catalyzed Construction of Tetracyclic Scaffolds via the 1,7-Enyne Carbocyclization/Iodophenol Dearomatization Cascade.","The Journal of organic chemistry","2017","82","23","12386","12394","10.1021/acs.joc.7b02196","","","0.71073","MoKα","","0.1279","0.0678","","","0.1329","0.1689","","","","","","1.044","","","","has coordinates","254835","2020-10-21","18:00:00",""
"4033121","7.8728","0.0009","6.9222","0.0008","13.1511","0.0015","90","","96.888","0.002","90","","711.52","0.14","90","","90","","","","","","","","","3","P 1 21 1","P 2yb","4","","","","- C15 H26 O2 -","- C15 H26 O2 -","- C30 H52 O4 -","2","1","","Ota, Koichiro; Yamazaki, Ikuma; Saigoku, Takahiro; Fukui, Mei; Miyata, Tomoki; Kamaike, Kazuo; Shirahata, Tatsuya; Mizuno, Fumi; Asada, Yoshihisa; Hirotani, Masao; Ino, Chieko; Yoshikawa, Takafumi; Kobayashi, Yoshinori; Miyaoka, Hiroaki","Phellilane L, Sesquiterpene Metabolite of Phellinus linteus: Isolation, Structure Elucidation, and Asymmetric Total Synthesis.","The Journal of organic chemistry","2017","82","23","12377","12385","10.1021/acs.joc.7b02141","","","0.71073","MoKα","","0.0375","0.0349","","","0.0799","0.0817","","","","","","1.061","","","","has coordinates","204858","2020-10-21","18:00:00",""
"4033122","7.7181","0.0004","7.1084","0.0004","26.189","0.0015","90","","98.083","0.001","90","","1422.54","0.14","90","","90","","","","","","","","","3","P 1 21 1","P 2yb","4","","","","- C15 H26 O2 -","- C15 H26 O2 -","- C60 H104 O8 -","4","2","","Ota, Koichiro; Yamazaki, Ikuma; Saigoku, Takahiro; Fukui, Mei; Miyata, Tomoki; Kamaike, Kazuo; Shirahata, Tatsuya; Mizuno, Fumi; Asada, Yoshihisa; Hirotani, Masao; Ino, Chieko; Yoshikawa, Takafumi; Kobayashi, Yoshinori; Miyaoka, Hiroaki","Phellilane L, Sesquiterpene Metabolite of Phellinus linteus: Isolation, Structure Elucidation, and Asymmetric Total Synthesis.","The Journal of organic chemistry","2017","82","23","12377","12385","10.1021/acs.joc.7b02141","","","0.71073","MoKα","","0.0421","0.0348","","","0.0829","0.087","","","","","","1.036","","","","has coordinates","204858","2020-10-21","18:00:00",""
"4033123","8.8336","0.0001","17.8733","0.0002","9.143","0.0001","90","","111.478","0.001","90","","1343.31","0.03","173","","173","","","","","","","","","4","P 1 21/n 1","-P 2yn","14","K1250","","","- C17 H14 N2 O3 -","- C17 H14 N2 O3 -","- C68 H56 N8 O12 -","4","1","","Takagi, Koji; Ito, Kaede; Yamada, Yoshihiro; Nakashima, Takuya; Fukuda, Ryoichi; Ehara, Masahiro; Masu, Hyuma","Synthesis and Optical Properties of Excited-State Intramolecular Proton Transfer Active π-Conjugated Benzimidazole Compounds: Influence of Structural Rigidification by Ring Fusion.","The Journal of organic chemistry","2017","82","23","12173","12180","10.1021/acs.joc.7b01967","","","1.54178","CuKα","","0.0352","0.0335","","","0.0917","0.0932","","","","","","1.068","","","","has coordinates","204860","2020-10-21","18:00:00",""
"4033124","4.9539","0.00008","21.3695","0.0003","11.9647","0.0002","90","","98.6035","0.001","90","","1252.36","0.03","173","","173","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","C-dash","","","- C15 H14 N2 O3 -","- C15 H14 N2 O3 -","- C60 H56 N8 O12 -","4","1","","Takagi, Koji; Ito, Kaede; Yamada, Yoshihiro; Nakashima, Takuya; Fukuda, Ryoichi; Ehara, Masahiro; Masu, Hyuma","Synthesis and Optical Properties of Excited-State Intramolecular Proton Transfer Active π-Conjugated Benzimidazole Compounds: Influence of Structural Rigidification by Ring Fusion.","The Journal of organic chemistry","2017","82","23","12173","12180","10.1021/acs.joc.7b01967","","","1.54178","CuKα","","0.0353","0.0336","","","0.0905","0.0923","","","","","","1.047","","","","has coordinates","204860","2020-10-21","18:00:00",""
"4033125","11.4742","0.001","13.6344","0.0014","14.6597","0.0015","76.458","0.004","72.862","0.004","75.076","0.004","2086.3","0.4","305.3","","305.3","","","","","","","","","4","P -1","-P 1","2","","","","- C39 H44 N6 O5 -","- C39 H44 N6 O5 -","- C78 H88 N12 O10 -","2","1","","Park, Jisook; Jean, Alexandre; Chen, David Y.-K.","Organocatalytic and Late-Stage CH-Functionalization Enabled Asymmetric Synthesis of Communesin F and Putative Communesins.","The Journal of organic chemistry","2017","","","","","10.1021/acs.joc.7b02426","","","0.71073","MoKα","","0.0943","0.0627","","","0.2004","0.217","","","","","","1.098","","","","has coordinates","203019","2020-10-21","18:00:00",""
"4033126","9.4609","0.0005","9.552","0.0004","12.1087","0.0005","90","","89.67","0.004","90","","1094.25","0.09","293","2","293.15","","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C18 H24 N2 O8 S2 -","- C18 H24 N2 O8 S2 -","- C36 H48 N4 O16 S4 -","2","1","","Wang, Zhi-Peng; Li, Zi-Rui; Wu, Qi; Peng, Xiao-Jiao; Shao, Pan-Lin; He, Yun","Enantioselective Synthesis of Alkylthioetherpyrrolidine Derivatives via [3+2] Cycloaddition of α-Thioacrylates with Isocyanoacetates.","The Journal of organic chemistry","2017","82","23","12869","12876","10.1021/acs.joc.7b02266","","x-ray","0.71073","MoKα","","0.0513","0.0438","","","0.1019","0.109","","","","","","1.037","","","","has coordinates","204829","2020-10-21","18:00:00",""
"4033127","7.2342","0.0002","7.6993","0.0002","34.2572","0.0007","90","","90","","90","","1908.07","0.08","298","2","298","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C21 H15 Cl N2 O6 -","- C21 H15 Cl N2 O6 -","- C84 H60 Cl4 N8 O24 -","4","1","","Wang, Zhi-Peng; Li, Zi-Rui; Wu, Qi; Peng, Xiao-Jiao; Shao, Pan-Lin; He, Yun","Enantioselective Synthesis of Alkylthioetherpyrrolidine Derivatives via [3+2] Cycloaddition of α-Thioacrylates with Isocyanoacetates.","The Journal of organic chemistry","2017","82","23","12869","12876","10.1021/acs.joc.7b02266","","","0.71073","MoKα","","0.0614","0.0457","","","0.091","0.0965","","","","","","1.091","","","","has coordinates","204829","2020-10-21","18:00:00",""
"4033128","12.1792","0.0012","12.9193","0.0013","20.73","0.002","78.567","0.002","85.489","0.002","69.326","0.002","2991.1","0.5","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","","","- C22 H17.33 Br O4 S -","- C22 H17.3333 Br O4 S -","- C132 H104 Br6 O24 S6 -","6","3","","Chang, Meng-Yang; Chen, Han-Yu; Chen, Yu-Hsin","Synthesis of 2-Aryl-3-sulfonylchromans via Knoevenagel Condensation and Reduction Protocol.","The Journal of organic chemistry","2017","82","23","12631","12639","10.1021/acs.joc.7b02392","","","0.71073","MoKα","","0.096","0.051","","","0.1196","0.1389","","","","","","1.024","","","","has coordinates","204843","2020-10-21","18:00:00",""
"4033129","9.3081","0.0005","10.4852","0.0005","11.7136","0.0006","73.869","0.002","81.276","0.002","68.067","0.002","1017.25","0.09","100","2","100","2","","","","","","","","4","P 1","P 1","1","","","","- C24 H22 O4 S -","- C24 H22 O4 S -","- C48 H44 O8 S2 -","2","2","","Chang, Meng-Yang; Chen, Han-Yu; Chen, Yu-Hsin","Synthesis of 2-Aryl-3-sulfonylchromans via Knoevenagel Condensation and Reduction Protocol.","The Journal of organic chemistry","2017","82","23","12631","12639","10.1021/acs.joc.7b02392","","","0.71073","MoKα","","0.0442","0.0434","","","0.1219","0.1229","","","","","","1.025","","","","has coordinates","204843","2020-10-21","18:00:00",""
"4033130","13.5515","0.001","7.0685","0.0006","20.9049","0.0016","90","","103.256","0.004","90","","1949.1","0.3","100","2","100","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C22 H21 N O6 S -","- C22 H21 N O6 S -","- C88 H84 N4 O24 S4 -","4","1","","Chang, Meng-Yang; Chen, Han-Yu; Chen, Yu-Hsin","Synthesis of 2-Aryl-3-sulfonylchromans via Knoevenagel Condensation and Reduction Protocol.","The Journal of organic chemistry","2017","82","23","12631","12639","10.1021/acs.joc.7b02392","","","0.71073","MoKα","","0.0412","0.0344","","","0.0824","0.0862","","","","","","1.044","","","","has coordinates","204843","2020-10-21","18:00:00",""
"4033131","17.0858","0.0017","7.1245","0.0008","16.5916","0.0017","90","","96.18","0.002","90","","2007.9","0.4","100","2","100","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C23 H24 O5 S -","- C23 H24 O5 S -","- C92 H96 O20 S4 -","4","1","","Chang, Meng-Yang; Chen, Han-Yu; Chen, Yu-Hsin","Synthesis of 2-Aryl-3-sulfonylchromans via Knoevenagel Condensation and Reduction Protocol.","The Journal of organic chemistry","2017","82","23","12631","12639","10.1021/acs.joc.7b02392","","","0.71073","MoKα","","0.0443","0.0354","","","0.0867","0.0922","","","","","","1.034","","","","has coordinates","204843","2020-10-21","18:00:00",""
"4033132","8.2965","0.0006","10.5328","0.0008","10.7598","0.0008","97.171","0.002","100.4","0.002","104.731","0.002","879.88","0.11","100","2","100","2","","","","","","","","4","P -1","-P 1","2","","","","- C21 H16 O5 S -","- C21 H16 O5 S -","- C42 H32 O10 S2 -","2","1","","Chang, Meng-Yang; Chen, Han-Yu; Chen, Yu-Hsin","Synthesis of 2-Aryl-3-sulfonylchromans via Knoevenagel Condensation and Reduction Protocol.","The Journal of organic chemistry","2017","82","23","12631","12639","10.1021/acs.joc.7b02392","","","0.71073","MoKα","","0.04","0.0341","","","0.0798","0.0831","","","","","","1.054","","","","has coordinates","204843","2020-10-21","18:00:00",""
"4033133","11.495","0.002","17.271","0.004","12.383","0.003","90","","101.31","0.03","90","","2410.7","0.9","293","2","293","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C25 H27 N O7 -","- C25 H27 N O7 -","- C100 H108 N4 O28 -","4","1","","Huang, Zhusheng; Bao, Yishu; Zhang, Yu; Yang, Fulai; Lu, Tao; Zhou, Qingfa","Hydroxy-Assisted Regio- and Stereoselective Synthesis of Functionalized 4-Methylenepyrrolidine Derivatives via Phosphine-Catalyzed [3 + 2] Cycloaddition of Allenoates with o-Hydroxyaryl Azomethine Ylides.","The Journal of organic chemistry","2017","82","23","12726","12734","10.1021/acs.joc.7b02560","","","0.71073","MoKα","","0.422","0.1642","","","0.2729","0.3796","","","","","","1.191","","","","has coordinates","204854","2020-10-21","18:00:00",""
"4033134","11.1968","0.0009","11.258","0.001","12.7572","0.0011","93.18","0.004","100.48","0.004","98.749","0.004","1557.1","0.2","150","2","150","2","","","","","","","","4","P -1","-P 1","2","","","","- C15 H19 N O6 -","- C15 H19 N O6 -","- C60 H76 N4 O24 -","4","2","","Farren-Dai, Marco; Thompson, John R.; Bernardi, Anna; Colombo, Cinzia; Bennet, Andrew J.","Observation of a Tricyclic[4.1.0.02,4]heptane During a Michael Addition-Ring Closure Reaction and a Computational Study on Its Mechanism of Formation.","The Journal of organic chemistry","2017","82","23","12511","12519","10.1021/acs.joc.7b02218","","","0.71073","MoKα","","0.0617","0.0527","","","0.1492","0.1576","","","","","","1.061","","","","has coordinates,has disorder","204852","2020-10-21","18:00:00",""
"4033135","5.3586","0.0011","17.181","0.003","24.086","0.005","90","","90","","90","","2217.5","0.8","100","2","100","2","","","","","","","","3","P b c a","-P 2ac 2ab","61","","","","- C12 H18 O3 -","- C12 H18 O3 -","- C96 H144 O24 -","8","1","","Riedel, Sibylle; Maichle-Mössmer, Cäcilia; Maier, Martin E.","Intramolecular Diels-Alder Reactions of Tethered Enoate Substituted Furans Induced by Dialkylaluminum Chloride.","The Journal of organic chemistry","2017","82","23","12798","12805","10.1021/acs.joc.7b02117","","","0.71073","MoKα","","0.0897","0.0516","","","0.1166","0.138","","","","","","1.023","","","","has coordinates","204825","2020-10-21","18:00:00",""
"4033136","5.2724","0.0003","12.5941","0.0006","19.4644","0.001","76.207","0.001","85.49","0.002","85.984","0.002","1249.54","0.11","100","2","100","2","","","","","","","","3","P -1","-P 1","2","","","","- C13 H20 O3 -","- C13 H20 O3 -","- C52 H80 O12 -","4","2","","Riedel, Sibylle; Maichle-Mössmer, Cäcilia; Maier, Martin E.","Intramolecular Diels-Alder Reactions of Tethered Enoate Substituted Furans Induced by Dialkylaluminum Chloride.","The Journal of organic chemistry","2017","82","23","12798","12805","10.1021/acs.joc.7b02117","","","0.71073","MoKα","","0.0572","0.0459","","","0.1152","0.1227","","","","","","1.04","","","","has coordinates","204825","2020-10-21","18:00:00",""
"4033137","5.1885","0.0012","8.975","0.002","25.944","0.006","90","","90","","90","","1208.1","0.5","150","2","150","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C13 H20 O3 -","- C13 H20 O3 -","- C52 H80 O12 -","4","1","","Riedel, Sibylle; Maichle-Mössmer, Cäcilia; Maier, Martin E.","Intramolecular Diels-Alder Reactions of Tethered Enoate Substituted Furans Induced by Dialkylaluminum Chloride.","The Journal of organic chemistry","2017","82","23","12798","12805","10.1021/acs.joc.7b02117","","","0.71073","MoKα","","0.0484","0.0405","","","0.0901","0.0952","","","","","","1.025","","","","has coordinates","204825","2020-10-21","18:00:00",""
"4033138","5.222","0.003","15.414","0.009","16.654","0.009","90","","90","","90","","1340.5","1.3","100","2","100","2","","","","","","","","3","P n a 21","P 2c -2n","33","","","","- C14 H22 O3 -","- C14 H22 O3 -","- C56 H88 O12 -","4","1","","Riedel, Sibylle; Maichle-Mössmer, Cäcilia; Maier, Martin E.","Intramolecular Diels-Alder Reactions of Tethered Enoate Substituted Furans Induced by Dialkylaluminum Chloride.","The Journal of organic chemistry","2017","82","23","12798","12805","10.1021/acs.joc.7b02117","","","0.71073","MoKα","","0.039","0.0365","","","0.0958","0.0985","","","","","","1.067","","","","has coordinates","204825","2020-10-21","18:00:00",""
"4033139","7.142","0.002","11.87","0.004","16.292","0.006","107.677","0.008","90.937","0.005","100.663","0.007","1289.3","0.7","173","2","173","2","","","","","","","","3","P -1","-P 1","2","","","","- C14 H22 O3 -","- C14 H22 O3 -","- C56 H88 O12 -","4","2","","Riedel, Sibylle; Maichle-Mössmer, Cäcilia; Maier, Martin E.","Intramolecular Diels-Alder Reactions of Tethered Enoate Substituted Furans Induced by Dialkylaluminum Chloride.","The Journal of organic chemistry","2017","82","23","12798","12805","10.1021/acs.joc.7b02117","","","0.71073","MoKα","","0.0509","0.0378","","","0.0879","0.0957","","","","","","1.034","","","","has coordinates","204825","2020-10-21","18:00:00",""
"4033140","7.1832","0.0018","8.55","0.002","9.308","0.002","104.927","0.003","105.219","0.003","98.265","0.004","519.1","0.2","101","2","101","2","","","","","","","","3","P -1","-P 1","2","","","","- C12 H16 O3 -","- C12 H16 O3 -","- C24 H32 O6 -","2","1","","Riedel, Sibylle; Maichle-Mössmer, Cäcilia; Maier, Martin E.","Intramolecular Diels-Alder Reactions of Tethered Enoate Substituted Furans Induced by Dialkylaluminum Chloride.","The Journal of organic chemistry","2017","82","23","12798","12805","10.1021/acs.joc.7b02117","","","0.71073","MoKα","","0.048","0.0409","","","0.1107","0.1178","","","","","","1.059","","","","has coordinates","204825","2020-10-21","18:00:00",""
"4033141","11.6324","0.0006","26.0858","0.0014","6.4645","0.0004","90","","90","","90","","1961.59","0.19","298","2","298","2","","","","","","","","5","P 21 21 2","P 2 2ab","18","","","","- C15 H23 Cl3 N2 O3 -","- C15 H23 Cl3 N2 O3 -","- C60 H92 Cl12 N8 O12 -","4","1","","Martinez-Alsina, Luis A; Murray, John C.; Buzon, Leanne M.; Bundesmann, Mark W.; Young, Joseph M.; O'Neill, Brian T","Spiropiperidine Sultam and Lactam Templates: Diastereoselective Overman Rearrangement and Metathesis followed by NH Arylation.","The Journal of organic chemistry","2017","82","23","12246","12256","10.1021/acs.joc.7b02096","","","1.54178","CuKα","","0.0858","0.0812","","","0.2214","0.2256","","","","","","1.133","","","","has coordinates","204838","2020-10-21","18:00:00",""
"4033142","24.862","0.001","8.9677","0.0004","19.6735","0.0005","90","","97.685","0.002","90","","4346.9","0.3","200","","200","","","","","","","","local","6","C 1 2/c 1","-C 2yc","15","","","","- C21 H31 N O2 S Si -","- C21 H31 N O2 S Si -","- C168 H248 N8 O16 S8 Si8 -","8","1","","Nugent, Jeremy; Matoušová, Eliška; Banwell, Martin G.; Willis, Anthony C.","The Palladium-Catalyzed Intramolecular Alder-Ene Reactions of O- and N-Linked 1,6-Enynes Incorporating Triethylsilyl Capping Groups.","The Journal of organic chemistry","2017","82","23","12569","12589","10.1021/acs.joc.7b02355","","","0.71073","MoKα","","0.0675","0.048","","0.1235","0.1128","0.1235","","","","","","0.9878","","","","has coordinates","204839","2020-10-21","18:00:00",""
"4033143","6.5878","0.0008","12.8623","0.0015","16.408","0.002","90","","90","","90","","1390.3","0.3","133","2","133","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C14 H21 Cl O3 -","- C14 H21 Cl O3 -","- C56 H84 Cl4 O12 -","4","1","","Garnsey, Michelle R.; Slutskyy, Yuriy; Jamison, Christopher R.; Zhao, Peng; Lee, Juyeol; Rhee, Young Ho; Overman, Larry E.","Short Enantioselective Total Syntheses of Cheloviolenes A and B and Dendrillolide C via Convergent Fragment Coupling Using a Tertiary Carbon Radical.","The Journal of organic chemistry","2017","","","","","10.1021/acs.joc.7b02458","","","0.71073","MoKα","","0.0271","0.0252","","","0.0607","0.0618","","","","","","1.042","","","","has coordinates","203193","2020-10-21","18:00:00",""
"4033144","8.5769","0.0012","13.3823","0.0018","15.729","0.002","90","","90","","90","","1805.4","0.4","88","2","88","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C20 H30 O4 -","- C20 H30 O4 -","- C80 H120 O16 -","4","1","","Garnsey, Michelle R.; Slutskyy, Yuriy; Jamison, Christopher R.; Zhao, Peng; Lee, Juyeol; Rhee, Young Ho; Overman, Larry E.","Short Enantioselective Total Syntheses of Cheloviolenes A and B and Dendrillolide C via Convergent Fragment Coupling Using a Tertiary Carbon Radical.","The Journal of organic chemistry","2017","","","","","10.1021/acs.joc.7b02458","","","0.71073","MoKα","","0.036","0.0326","","","0.0773","0.0797","","","","","","1.034","","","","has coordinates","203194","2020-10-21","18:00:00",""
"4033145","15.0629","0.0016","17.1594","0.0018","18.0137","0.0019","90","","90","","90","","4656","0.9","88","2","88","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C23 H33 N2 O3 S -","- C23 H33 N2 O3 S -","- C184 H264 N16 O24 S8 -","8","2","","Garnsey, Michelle R.; Slutskyy, Yuriy; Jamison, Christopher R.; Zhao, Peng; Lee, Juyeol; Rhee, Young Ho; Overman, Larry E.","Short Enantioselective Total Syntheses of Cheloviolenes A and B and Dendrillolide C via Convergent Fragment Coupling Using a Tertiary Carbon Radical.","The Journal of organic chemistry","2017","","","","","10.1021/acs.joc.7b02458","","","0.71073","MoKα","","0.0608","0.0525","","","0.1412","0.1478","","","","","","1.033","","","","has coordinates","203195","2020-10-21","18:00:00",""
"4033146","7.9748","0.0009","14.1924","0.0017","17.903","0.002","89.1869","0.0016","83.5067","0.0016","74.6777","0.0016","1941.5","0.4","88","2","88","2","","","","","","","","4","P 1","P 1","1","","","","- C21 H25 N O6 -","- C21 H25 N O6 -","- C84 H100 N4 O24 -","4","4","","Garnsey, Michelle R.; Slutskyy, Yuriy; Jamison, Christopher R.; Zhao, Peng; Lee, Juyeol; Rhee, Young Ho; Overman, Larry E.","Short Enantioselective Total Syntheses of Cheloviolenes A and B and Dendrillolide C via Convergent Fragment Coupling Using a Tertiary Carbon Radical.","The Journal of organic chemistry","2017","","","","","10.1021/acs.joc.7b02458","","","0.71073","MoKα","","0.1227","0.0741","","","0.1758","0.2089","","","","","","1.018","","","","has coordinates,has disorder","203196","2020-10-21","18:00:00",""
"4033147","16.4621","0.0008","5.519","0.0003","24.511","0.0013","90","","90","","90","","2226.9","0.2","93","","93","","","","","","","","","5","P c a 21","P 2c -2ac","29","","","","- C25 H23 N O5 S2 -","- C25 H23 N O5 S2 -","- C100 H92 N4 O20 S8 -","4","1","","Fukata, Yukihiro; Yao, Koichi; Miyaji, Ryota; Asano, Keisuke; Matsubara, Seijiro","Asymmetric Net Cycloaddition for Access to Diverse Substituted 1,5-Benzothiazepines.","The Journal of organic chemistry","2017","82","23","12655","12668","10.1021/acs.joc.7b02451","","","1.54187","CuKα","","0.0705","0.0496","","","0.111","0.1386","","","","","","1.196","","","","has coordinates","204832","2020-10-21","18:00:00",""
"4033148","7.9922","0.0008","11.5964","0.0012","21.983","0.002","90","","90","","90","","2037.4","0.3","293","","293","","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C22 H19 N O3 S2 -","- C22 H19 N O3 S2 -","- C88 H76 N4 O12 S8 -","4","1","","Fukata, Yukihiro; Yao, Koichi; Miyaji, Ryota; Asano, Keisuke; Matsubara, Seijiro","Asymmetric Net Cycloaddition for Access to Diverse Substituted 1,5-Benzothiazepines.","The Journal of organic chemistry","2017","82","23","12655","12668","10.1021/acs.joc.7b02451","","","0.71075","MoKα","","","0.0439","","","","0.1008","","","","","","1.058","","","","has coordinates","204832","2020-10-21","18:00:00",""
"4033149","8.7104","0.0003","10.2793","0.0003","13.7385","0.0004","106.769","0.003","108.072","0.003","93.497","0.003","1104.28","0.07","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C27 H20 Br N O5 -","- C27 H20 Br N O5 -","- C54 H40 Br2 N2 O10 -","2","1","","Sivasankara, Chenikkayala; Satham, Lakshminarayana; Namboothiri, Irishi N. N.","One-Pot Construction of Functionalized Spiro-dihydronaphthoquinone-oxindoles via Hauser-Kraus Annulation of Sulfonylphthalide with 3-Alkylideneoxindoles.","The Journal of organic chemistry","2017","82","23","12939","12944","10.1021/acs.joc.7b02656","","","0.71073","MoKα","","0.0342","0.0309","","","0.077","0.0787","","","","","","1.062","","","","has coordinates","204833","2020-10-21","18:00:00",""
"4033150","9.1293","0.0011","11.8856","0.0016","13.6282","0.0018","90","","97.693","0.004","90","","1465.4","0.3","100","2","100","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","methylamino nitrobenzoyl oxobut enoic acid ethyl ester","(Z)-4(methylamino)-3-(4-nitrobenzoyl)2-oxobut-3-enoic acid ethyl ester","","- C14 H14 N2 O6 -","- C14 H14 N2 O6 -","- C56 H56 N8 O24 -","4","1","","da Silva, Michael J. V.; Poletto, Julia; Jacomini, Andrey P.; Pianoski, Karlos E.; Gonçalves, Davana S; Ribeiro, Gessica M.; de S Melo, Samara M; Back, Davi F.; Moura, Sidnei; Rosa, Fernanda A.","Unconventional Method for Synthesis of 3-Carboxyethyl-4-formyl(hydroxy)-5-aryl-N-arylpyrazoles.","The Journal of organic chemistry","2017","82","23","12590","12602","10.1021/acs.joc.7b02361","","","0.71073","MoKα","","0.1246","0.0766","","","0.1313","0.165","","","","","","0.997","","","","has coordinates","204837","2020-10-21","18:00:00",""
"4033151","12.1528","0.0008","16.0299","0.001","8.9727","0.0005","90","","97.678","0.002","90","","1732.28","0.18","100","2","100","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","butylamino nitrobenzoyl oxobut enoic acid ethyl ester","(Z)-4-(butylamino)-3-(4-nitrobenzoyl)-2-oxobut-3-enoic acid ethyl ester","","- C17 H20 N2 O6 -","- C17 H20 N2 O6 -","- C68 H80 N8 O24 -","4","1","","da Silva, Michael J. V.; Poletto, Julia; Jacomini, Andrey P.; Pianoski, Karlos E.; Gonçalves, Davana S; Ribeiro, Gessica M.; de S Melo, Samara M; Back, Davi F.; Moura, Sidnei; Rosa, Fernanda A.","Unconventional Method for Synthesis of 3-Carboxyethyl-4-formyl(hydroxy)-5-aryl-N-arylpyrazoles.","The Journal of organic chemistry","2017","82","23","12590","12602","10.1021/acs.joc.7b02361","","","0.71073","MoKα","","0.1331","0.0667","","","0.115","0.1372","","","","","","1.021","","","","has coordinates","204837","2020-10-21","18:00:00",""
"4033152","11.0033","0.001","11.9445","0.001","14.1463","0.0011","90","","91.849","0.003","90","","1858.3","0.3","100","2","100","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","benzylamino nitrobenzoyl oxobut enoic acid ethyl ester","(Z)-4-(benzylamino)-3-(4-nitrobenzoyl)-2-oxobut-3-enoic acid ethyl ester","","- C20 H18 N2 O6 -","- C20 H18 N2 O6 -","- C80 H72 N8 O24 -","4","1","","da Silva, Michael J. V.; Poletto, Julia; Jacomini, Andrey P.; Pianoski, Karlos E.; Gonçalves, Davana S; Ribeiro, Gessica M.; de S Melo, Samara M; Back, Davi F.; Moura, Sidnei; Rosa, Fernanda A.","Unconventional Method for Synthesis of 3-Carboxyethyl-4-formyl(hydroxy)-5-aryl-N-arylpyrazoles.","The Journal of organic chemistry","2017","82","23","12590","12602","10.1021/acs.joc.7b02361","","","0.71073","MoKα","","0.1423","0.0592","","","0.1353","0.1909","","","","","","0.985","","","","has coordinates","204837","2020-10-21","18:00:00",""
"4033153","14.1028","0.0003","11.5412","0.0003","10.4124","0.0002","90","","98.178","0.001","90","","1677.52","0.07","296","2","296","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","isopropylamino nitrobenzoyl oxobut enoic acid ethyl ester","(Z)-4-(isopropylamino)-3-(4-nitrobenzoyl)-2-oxobut-3-enoic acid ethyl ester","","- C16 H18 N2 O6 -","- C16 H18 N2 O6 -","- C64 H72 N8 O24 -","4","1","","da Silva, Michael J. V.; Poletto, Julia; Jacomini, Andrey P.; Pianoski, Karlos E.; Gonçalves, Davana S; Ribeiro, Gessica M.; de S Melo, Samara M; Back, Davi F.; Moura, Sidnei; Rosa, Fernanda A.","Unconventional Method for Synthesis of 3-Carboxyethyl-4-formyl(hydroxy)-5-aryl-N-arylpyrazoles.","The Journal of organic chemistry","2017","82","23","12590","12602","10.1021/acs.joc.7b02361","","","1.54178","CuKα","","0.0591","0.0547","","","0.1511","0.1557","","","","","","1.039","","","","has coordinates","204837","2020-10-21","18:00:00",""
"4033154","8.7087","0.0013","11.9143","0.0018","17.31","0.003","90","","97.997","0.013","90","","1778.6","0.5","296","2","296","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","(z)-4-(tert-butylamino)-3-(4-nitrobenzoyl)-2-oxobut-3-enoic acid ethyl ester","","","- C17 H20 N2 O6 -","- C17 H20 N2 O6 -","- C68 H80 N8 O24 -","4","1","","da Silva, Michael J. V.; Poletto, Julia; Jacomini, Andrey P.; Pianoski, Karlos E.; Gonçalves, Davana S; Ribeiro, Gessica M.; de S Melo, Samara M; Back, Davi F.; Moura, Sidnei; Rosa, Fernanda A.","Unconventional Method for Synthesis of 3-Carboxyethyl-4-formyl(hydroxy)-5-aryl-N-arylpyrazoles.","The Journal of organic chemistry","2017","82","23","12590","12602","10.1021/acs.joc.7b02361","","","1.54178","CuKα","","0.0592","0.0493","","","0.1314","0.1416","","","","","","1.056","","","","has coordinates","204837","2020-10-21","18:00:00",""
"4033155","11.951","0.005","7.561","0.003","20.015","0.008","90","","99.777","0.01","90","","1782.3","1.3","303","2","303","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","(4-nitrobenzoyl)-2-oxo-4-(phenylamino)but-3-enoic acid e","","","- C19 H16 N2 O6 -","- C19 H16 N2 O6 -","- C76 H64 N8 O24 -","4","1","","da Silva, Michael J. V.; Poletto, Julia; Jacomini, Andrey P.; Pianoski, Karlos E.; Gonçalves, Davana S; Ribeiro, Gessica M.; de S Melo, Samara M; Back, Davi F.; Moura, Sidnei; Rosa, Fernanda A.","Unconventional Method for Synthesis of 3-Carboxyethyl-4-formyl(hydroxy)-5-aryl-N-arylpyrazoles.","The Journal of organic chemistry","2017","82","23","12590","12602","10.1021/acs.joc.7b02361","","","0.71073","MoKα","","0.0927","0.0686","","","0.173","0.1891","","","","","","1.029","","","","has coordinates,has disorder","204837","2020-10-21","18:00:00",""
"4033156","30.378","0.006","6.892","0.002","17.711","0.004","90","0.03","102.59","0.03","90","0.03","3618.9","1.6","100","2","100","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","methoxypehnyl amino nitrobenzoyl oxobut enoic acid ethyl","","","- C20 H18 N2 O7 -","- C20 H18 N2 O7 -","- C160 H144 N16 O56 -","8","1","","da Silva, Michael J. V.; Poletto, Julia; Jacomini, Andrey P.; Pianoski, Karlos E.; Gonçalves, Davana S; Ribeiro, Gessica M.; de S Melo, Samara M; Back, Davi F.; Moura, Sidnei; Rosa, Fernanda A.","Unconventional Method for Synthesis of 3-Carboxyethyl-4-formyl(hydroxy)-5-aryl-N-arylpyrazoles.","The Journal of organic chemistry","2017","82","23","12590","12602","10.1021/acs.joc.7b02361","","","0.71073","MoKα","","0.103","0.0594","","","0.1674","0.2425","","","","","","1.067","","","","has coordinates","204837","2020-10-21","18:00:00",""
"4033157","10.8332","0.0007","10.336","0.0007","15.4805","0.001","90","","99.872","0.002","90","","1707.72","0.19","100","2","100","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","ter-butylamino methoxybenzoyl oxobut enoic acid ethyl est","(Z)-4-(ter-butylamino)-3-(4-methoxybenzoyl)-2-oxobut-3-enoic acid ethyl ester","","- C18 H23 N O5 -","- C18 H23 N O5 -","- C72 H92 N4 O20 -","4","1","","da Silva, Michael J. V.; Poletto, Julia; Jacomini, Andrey P.; Pianoski, Karlos E.; Gonçalves, Davana S; Ribeiro, Gessica M.; de S Melo, Samara M; Back, Davi F.; Moura, Sidnei; Rosa, Fernanda A.","Unconventional Method for Synthesis of 3-Carboxyethyl-4-formyl(hydroxy)-5-aryl-N-arylpyrazoles.","The Journal of organic chemistry","2017","82","23","12590","12602","10.1021/acs.joc.7b02361","","","0.71073","MoKα","","0.0928","0.0506","","","0.0972","0.1105","","","","","","1.033","","","","has coordinates","204837","2020-10-21","18:00:00",""
"4033158","27.51","0.02","7.656","0.008","18.984","0.015","90","","119.4","0.02","90","","3483","5","299","2","299","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","3-carboxyehyl-4-formyl-5-(4-nitrophenyl)1-phenyl-1H-pyrazol","3-carboxyehyl-4-formyl-5-(4-nitrophenyl)1-phenyl-1H-pyrazol","","- C19 H15 N3 O5 -","- C19 H15 N3 O5 -","- C152 H120 N24 O40 -","8","1","","da Silva, Michael J. V.; Poletto, Julia; Jacomini, Andrey P.; Pianoski, Karlos E.; Gonçalves, Davana S; Ribeiro, Gessica M.; de S Melo, Samara M; Back, Davi F.; Moura, Sidnei; Rosa, Fernanda A.","Unconventional Method for Synthesis of 3-Carboxyethyl-4-formyl(hydroxy)-5-aryl-N-arylpyrazoles.","The Journal of organic chemistry","2017","82","23","12590","12602","10.1021/acs.joc.7b02361","","","0.71073","MoKα","","0.1367","0.0631","","","0.1331","0.1599","","","","","","1.008","","","","has coordinates","204837","2020-10-21","18:00:00",""
"4033159","7.0436","0.0008","16.3407","0.0015","9.9285","0.0011","90","","93.145","0.008","90","","1141","0.2","296","2","296","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C32 H22 N4 -","- C32 H22 N4 -","- C64 H44 N8 -","2","0.5","","Bornhof, Anna-Bea; Xiong, Ruisheng; Borbas, K. Eszter","Rational Synthesis of 2-Bromoporphyrins and 2,12-Dibromoporphyrins.","The Journal of organic chemistry","2017","82","23","12908","12913","10.1021/acs.joc.7b02404","","","0.71073","MoKα","","0.1603","0.0526","","","0.1009","0.1426","","","","","","1.011","","","","has coordinates","204842","2020-10-21","18:00:00",""
"4033160","9.558","0.003","12.696","0.004","12.822","0.004","118.63","0.004","92.463","0.004","93.918","0.005","1357.4","0.7","200","2","200","2","","","","","","","","5","P -1","-P 1","2","","","","- C32 H29 Br N2 O5 -","- C32 H29 Br N2 O5 -","- C64 H58 Br2 N4 O10 -","2","1","","Mori-Quiroz, Luis M; Dekarske, Madeline M.; Prinkki, Austin B.; Clift, Michael D.","Exploiting Alkylquinone Tautomerization for the Total Synthesis of Calothrixin A and B.","The Journal of organic chemistry","2017","82","23","12257","12266","10.1021/acs.joc.7b02101","","","0.71073","MoKα","","0.0637","0.0413","","","0.1128","0.1215","","","","","","1.063","","","","has coordinates","204847","2020-10-21","18:00:00",""
"4033161","12.7122","0.0002","13.1087","0.0002","21.4412","0.0003","73.575","0.001","88.091","0.001","61.492","0.001","2989.64","0.09","200","2","200","2","","","","","","","","7","P -1","-P 1","2","","","","- C70 H62 Br N3 O5 P2 Pd -","- C70 H62 Br N3 O5 P2 Pd -","- C140 H124 Br2 N6 O10 P4 Pd2 -","2","1","","Mori-Quiroz, Luis M; Dekarske, Madeline M.; Prinkki, Austin B.; Clift, Michael D.","Exploiting Alkylquinone Tautomerization for the Total Synthesis of Calothrixin A and B.","The Journal of organic chemistry","2017","82","23","12257","12266","10.1021/acs.joc.7b02101","","","1.54178","CuKα","","0.0338","0.0324","","","0.0854","0.0865","","","","","","1.032","","","","has coordinates","204847","2020-10-21","18:00:00",""
"4033162","4.9054","0.0004","30.944","0.002","11.0135","0.0008","90","","94.3203","0.0013","90","","1667","0.2","100","2","100","2","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","","","- C23 H20 O2 -","- C23 H20 O2 -","- C92 H80 O8 -","4","1","","Hamal, Khagendra B.; Chalifoux, Wesley A.","One-Pot Synthesis of α-Carbonyl Bicyclic Furans via a Sequential Diels-Alder/5-Exo-Dig Cyclization/Oxidation Reaction.","The Journal of organic chemistry","2017","82","23","12920","12927","10.1021/acs.joc.7b02479","","","0.71073","MoKα","","0.0716","0.0581","","","0.1505","0.1627","","","","","","0.856","","","","has coordinates","204850","2020-10-21","18:00:00",""
"4033163","8.1156","0.0007","11.1455","0.001","11.5815","0.0009","90.642","0.007","105.03","0.007","107.641","0.008","959.56","0.15","293","2","293.15","","","","","","","","","6","P -1","-P 1","2","","","","- C20 H17 Cl N2 O2 S2 -","- C20 H17 Cl N2 O2 S2 -","- C40 H34 Cl2 N4 O4 S4 -","2","1","","Qi, Jie; Wang, Zaibin; Lang, Bo; Lu, Ping; Wang, Yanguang","TfOH-Catalyzed Reaction between 3-Diazoindolin-2-imines and Electron-Rich Arenes: Access to 3-Aryl-2-aminoindoles.","The Journal of organic chemistry","2017","82","23","12640","12646","10.1021/acs.joc.7b02423","","","0.71073","MoKα","","0.0666","0.0503","","","0.124","0.1386","","","","","","1.044","","","","has coordinates","204851","2020-10-21","18:00:00",""
"4033164","16.652","0.0008","19.7591","0.0006","20.6578","0.0011","90","","112.774","0.006","90","","6267.1","0.6","120","1","120","1","","","","","","","","5","P 1 21/c 1","-P 2yn","14","","","","- C48 H24 F14 N4 S4 -","- C48 H24 F14 N4 S4 -","- C288 H144 F84 N24 S24 -","6","1.5","","Hahn, Lena; Hermannsdorfer, André; Günther, Benjamin; Wesp, Tobias; Bühler, Bastian; Zschieschang, Ute; Wadepohl, Hubert; Klauk, Hagen; Gade, Lutz H.","(Oligo-)Thiophene Functionalized Tetraazaperopyrenes: Donor-Acceptor Dyes and Ambipolar Organic Semiconductors.","The Journal of organic chemistry","2017","82","23","12492","12502","10.1021/acs.joc.7b02286","","x-ray","1.54184","CuKα","","0.1595","0.0758","","","0.1728","0.2277","","","","","","0.966","","","","has coordinates,has disorder","204855","2020-10-21","18:00:00",""
"4033165","15.3304","0.0003","17.3728","0.0004","21.0398","0.0004","107.553","0.0018","100.575","0.0016","111.083","0.0018","4708.9","0.2","120","1","120","1","","","","","","","","5","P -1","-P 1","2","","","","- C68 H64 F14 N4 S4 -","- C68 H64 F14 N4 S4 -","- C204 H192 F42 N12 S12 -","3","1.5","","Hahn, Lena; Hermannsdorfer, André; Günther, Benjamin; Wesp, Tobias; Bühler, Bastian; Zschieschang, Ute; Wadepohl, Hubert; Klauk, Hagen; Gade, Lutz H.","(Oligo-)Thiophene Functionalized Tetraazaperopyrenes: Donor-Acceptor Dyes and Ambipolar Organic Semiconductors.","The Journal of organic chemistry","2017","82","23","12492","12502","10.1021/acs.joc.7b02286","","x-ray","1.54184","CuKα","","0.0751","0.0533","","","0.1368","0.1507","","","","","","1.024","","","","has coordinates","204855","2020-10-21","18:00:00",""
"4033166","16.1364","0.0003","5.19816","0.00007","26.6969","0.0005","90","","98.5684","0.0017","90","","2214.33","0.07","120","1","120","1","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C52 H32 F14 N4 O2 S4 -","- C52 H32 F14 N4 O2 S4 -","- C104 H64 F28 N8 O4 S8 -","2","0.5","","Hahn, Lena; Hermannsdorfer, André; Günther, Benjamin; Wesp, Tobias; Bühler, Bastian; Zschieschang, Ute; Wadepohl, Hubert; Klauk, Hagen; Gade, Lutz H.","(Oligo-)Thiophene Functionalized Tetraazaperopyrenes: Donor-Acceptor Dyes and Ambipolar Organic Semiconductors.","The Journal of organic chemistry","2017","82","23","12492","12502","10.1021/acs.joc.7b02286","","x-ray","1.54184","CuKα","","0.0416","0.0403","","","0.0939","0.0946","","","","","","1.123","","","","has coordinates,has disorder","204855","2020-10-21","18:00:00",""
"4033167","15.2196","0.0007","15.3694","0.0005","24.0731","0.0006","101.545","0.002","102.351","0.003","105.027","0.003","5114","0.3","120","1","120","1","","","","","","","","7","P -1","-P 1","2","","","","- C44.5 H8.75 Br8 Cl2.25 F14 N4 S4 -","- C44.5 H8.75 Br8 Cl2.25 F14 N4 S4 -","- C178 H35 Br32 Cl9 F56 N16 S16 -","4","2","","Hahn, Lena; Hermannsdorfer, André; Günther, Benjamin; Wesp, Tobias; Bühler, Bastian; Zschieschang, Ute; Wadepohl, Hubert; Klauk, Hagen; Gade, Lutz H.","(Oligo-)Thiophene Functionalized Tetraazaperopyrenes: Donor-Acceptor Dyes and Ambipolar Organic Semiconductors.","The Journal of organic chemistry","2017","82","23","12492","12502","10.1021/acs.joc.7b02286","","x-ray","1.54184","CuKα","","0.1579","0.0783","","","0.1761","0.2191","","","","","","1.019","","","","has coordinates","204855","2020-10-21","18:00:00",""
"4033168","15.36041","0.00017","25.7224","0.0002","20.8946","0.0002","90","","110.872","0.0013","90","","7713.84","0.14","120","1","120","1","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C47.33 H16 Br8 F14 N4 S4 -","- C47.3333 H16 Br8 F14 N4 S4 -","- C284 H96 Br48 F84 N24 S24 -","6","1.5","","Hahn, Lena; Hermannsdorfer, André; Günther, Benjamin; Wesp, Tobias; Bühler, Bastian; Zschieschang, Ute; Wadepohl, Hubert; Klauk, Hagen; Gade, Lutz H.","(Oligo-)Thiophene Functionalized Tetraazaperopyrenes: Donor-Acceptor Dyes and Ambipolar Organic Semiconductors.","The Journal of organic chemistry","2017","82","23","12492","12502","10.1021/acs.joc.7b02286","","x-ray","0.71073","MoKα","","0.05","0.0369","","","0.084","0.0894","","","","","","1.022","","","","has coordinates","204855","2020-10-21","18:00:00",""
"4033169","8.954","0.006","30.616","0.017","10.213","0.007","90","","109.783","0.016","90","","2635","3","173","","173","","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C25.25 H28.5 Cl0.5 N2 O7 -","- C25.25 H28.5 Cl0.5 N2 O7 -","- C101 H114 Cl2 N8 O28 -","4","2","","Bulman Page, Philip C.; Goodyear, Ross L.; Horton, Alexandra E.; Chan, Yohan; Karim, Rehana; O'Connell, Maria A; Hamilton, Christopher; Slawin, Alexandra M. Z.; Buckley, Benjamin R.; Allin, Steven M.","Formal Total Synthesis of (+)-C9-Deoxyomuralide from l-Leucine Using a Double Sacrificial Chirality Transfer Approach.","The Journal of organic chemistry","2017","82","23","12209","12223","10.1021/acs.joc.7b02078","","","1.54187","CuKα","","0.2097","0.1909","","","0.4314","0.4524","","","","","","1.628","","","","has coordinates","204856","2020-10-21","18:00:00",""
"4033170","7.23","0.006","14.007","0.012","24.193","0.018","90","","97.842","0.012","90","","2427","3","173","","173","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C25 H28 N2 O7 -","- C25 H28 N2 O7 -","- C100 H112 N8 O28 -","4","1","","Bulman Page, Philip C.; Goodyear, Ross L.; Horton, Alexandra E.; Chan, Yohan; Karim, Rehana; O'Connell, Maria A; Hamilton, Christopher; Slawin, Alexandra M. Z.; Buckley, Benjamin R.; Allin, Steven M.","Formal Total Synthesis of (+)-C9-Deoxyomuralide from l-Leucine Using a Double Sacrificial Chirality Transfer Approach.","The Journal of organic chemistry","2017","82","23","12209","12223","10.1021/acs.joc.7b02078","","","1.54187","CuKα","","0.0605","0.0457","","","0.1132","0.1247","","","","","","0.952","","","","has coordinates","204856","2020-10-21","18:00:00",""
"4033171","18.721","0.012","18.189","0.008","30.942","0.016","90","","99.292","0.012","90","","10398","10","93","","93","","","","","","","","","4","C 1 c 1","C -2yc","9","","","","- C27 H30 N2 O9 -","- C27 H30 N2 O9 -","- C432 H480 N32 O144 -","16","4","","Bulman Page, Philip C.; Goodyear, Ross L.; Horton, Alexandra E.; Chan, Yohan; Karim, Rehana; O'Connell, Maria A; Hamilton, Christopher; Slawin, Alexandra M. Z.; Buckley, Benjamin R.; Allin, Steven M.","Formal Total Synthesis of (+)-C9-Deoxyomuralide from l-Leucine Using a Double Sacrificial Chirality Transfer Approach.","The Journal of organic chemistry","2017","82","23","12209","12223","10.1021/acs.joc.7b02078","","","0.71075","MoKα","","0.202","0.1548","","","0.3752","0.4401","","","","","","1.176","","","","has coordinates","204856","2020-10-21","18:00:00",""
"4033172","14.061","0.003","12.857","0.002","14.52","0.003","90","","109.008","0.005","90","","2481.8","0.8","93","","93","","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C27 H33 N O7 -","- C27 H33 N O7 -","- C108 H132 N4 O28 -","4","1","","Bulman Page, Philip C.; Goodyear, Ross L.; Horton, Alexandra E.; Chan, Yohan; Karim, Rehana; O'Connell, Maria A; Hamilton, Christopher; Slawin, Alexandra M. Z.; Buckley, Benjamin R.; Allin, Steven M.","Formal Total Synthesis of (+)-C9-Deoxyomuralide from l-Leucine Using a Double Sacrificial Chirality Transfer Approach.","The Journal of organic chemistry","2017","82","23","12209","12223","10.1021/acs.joc.7b02078","","","0.71075","MoKα","","0.0508","0.0434","","","0.1137","0.1199","","","","","","1.032","","","","has coordinates","204856","2020-10-21","18:00:00",""
"4033173","10.3698","0.0015","11.4667","0.0012","12.0264","0.0011","65.754","0.008","80.975","0.012","85.855","0.012","1287.7","0.3","93","","93","","","","","","","","","5","P -1","-P 1","2","","","","- C11.25 H19.5 Cl0.5 N O4 -","- C11.25 H19.5 Cl0.5 N O4 -","- C45 H78 Cl2 N4 O16 -","4","2","","Bulman Page, Philip C.; Goodyear, Ross L.; Horton, Alexandra E.; Chan, Yohan; Karim, Rehana; O'Connell, Maria A; Hamilton, Christopher; Slawin, Alexandra M. Z.; Buckley, Benjamin R.; Allin, Steven M.","Formal Total Synthesis of (+)-C9-Deoxyomuralide from l-Leucine Using a Double Sacrificial Chirality Transfer Approach.","The Journal of organic chemistry","2017","82","23","12209","12223","10.1021/acs.joc.7b02078","","","0.71075","MoKα","","0.0695","0.0616","","","0.1936","0.2001","","","","","","1.09","","","","has coordinates","204856","2020-10-21","18:00:00",""
"4033174","12.1335","0.0007","9.0731","0.0004","13.4839","0.0007","90","","109.111","0.006","90","","1402.61","0.14","293","2","293","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C19 H13 N O -","- C19 H13 N O -","- C76 H52 N4 O4 -","4","1","","Dhiman, Ankit Kumar; Kumar, Rakesh; Kumar, Rakesh; Sharma, Upendra","Metal-Free Synthesis of 2-Substituted 3-(2-Hydroxyaryl)quinolines and 4-(2-Hydroxyaryl)acridines via Benzyne Chemistry.","The Journal of organic chemistry","2017","82","23","12307","12317","10.1021/acs.joc.7b02149","","x-ray","1.54184","CuKα","","0.0562","0.0497","","","0.1334","0.1436","","","","","","1.053","","","","has coordinates","204859","2020-10-21","18:00:00",""
"4033175","10.0379","0.0013","10.2812","0.0013","10.6299","0.0013","73.378","0.011","83.687","0.01","80.048","0.011","1033.2","0.2","298","2","298","2","","","","","","","","4","P -1","-P 1","2","","","","- C23 H21 N3 O4 -","- C23 H21 N3 O4 -","- C46 H42 N6 O8 -","2","1","","Charris-Molina, Andrés; Castillo, Juan-Carlos; Macías, Mario; Portilla, Jaime","One-Step Synthesis of Fully Functionalized Pyrazolo[3,4-b]pyridines via Isobenzofuranone Ring Opening.","The Journal of organic chemistry","2017","82","23","12674","12681","10.1021/acs.joc.7b02471","","","0.71073","MoKα","","0.0947","0.0626","","","0.1581","0.1809","","","","","","1.072","","","","has coordinates","204861","2020-10-21","18:00:00",""
"4033176","7.1294","0.0007","32.835","0.003","10.2161","0.0009","90","","96.947","0.009","90","","2374","0.4","298","2","298","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C26 H25 N4 O4 -","- C26 H25 N4 O4 -","- C104 H100 N16 O16 -","4","1","","Charris-Molina, Andrés; Castillo, Juan-Carlos; Macías, Mario; Portilla, Jaime","One-Step Synthesis of Fully Functionalized Pyrazolo[3,4-b]pyridines via Isobenzofuranone Ring Opening.","The Journal of organic chemistry","2017","82","23","12674","12681","10.1021/acs.joc.7b02471","","","0.71073","MoKα","","0.07","0.0602","","","0.1563","0.1635","","","","","","0.997","","","","has coordinates","204861","2020-10-21","18:00:00",""
"4033177","7.092","0.0015","34.99","0.008","9.922","0.003","90","","98.12","0.03","90","","2437.5","1.1","298","2","298","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C26 H25 Cl N4 O4 -","- C26 H25 Cl N4 O4 -","- C104 H100 Cl4 N16 O16 -","4","1","","Charris-Molina, Andrés; Castillo, Juan-Carlos; Macías, Mario; Portilla, Jaime","One-Step Synthesis of Fully Functionalized Pyrazolo[3,4-b]pyridines via Isobenzofuranone Ring Opening.","The Journal of organic chemistry","2017","82","23","12674","12681","10.1021/acs.joc.7b02471","","","0.71073","MoKα","","0.118","0.0906","","","0.233","0.2541","","","","","","1.027","","","","has coordinates","204861","2020-10-21","18:00:00",""
"4033178","16.13","0.002","17.057","0.003","15.338","0.002","90","","106.066","0.014","90","","4055.1","1.1","298","2","298","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C23 H18 Cl N3 O3 -","- C23 H18 Cl N3 O3 -","- C184 H144 Cl8 N24 O24 -","8","1","","Charris-Molina, Andrés; Castillo, Juan-Carlos; Macías, Mario; Portilla, Jaime","One-Step Synthesis of Fully Functionalized Pyrazolo[3,4-b]pyridines via Isobenzofuranone Ring Opening.","The Journal of organic chemistry","2017","82","23","12674","12681","10.1021/acs.joc.7b02471","","","0.71073","MoKα","","0.0696","0.0558","","","0.146","0.1586","","","","","","1.093","","","","has coordinates,has disorder","204861","2020-10-21","18:00:00",""
"4033179","10.853","0.0015","12.0931","0.0016","12.7462","0.0012","111.386","0.01","93.203","0.01","111.842","0.013","1409.9","0.4","298","2","298","2","","","","","","","","5","P -1","-P 1","2","","","","- C31 H27 F N4 O4 -","- C31 H27 F N4 O4 -","- C62 H54 F2 N8 O8 -","2","1","","Charris-Molina, Andrés; Castillo, Juan-Carlos; Macías, Mario; Portilla, Jaime","One-Step Synthesis of Fully Functionalized Pyrazolo[3,4-b]pyridines via Isobenzofuranone Ring Opening.","The Journal of organic chemistry","2017","82","23","12674","12681","10.1021/acs.joc.7b02471","","","0.71073","MoKα","","0.104","0.0736","","","0.2065","0.2348","","","","","","1.018","","","","has coordinates,has disorder","204861","2020-10-21","18:00:00",""
"4033180","10.8079","0.0006","15.5573","0.0009","14.4369","0.0009","90","","94.828","0.001","90","","2418.8","0.2","85","2","85","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C24 H38 B N3 O2 S -","- C24 H38 B N3 O2 S -","- C96 H152 B4 N12 O8 S4 -","4","1","","Rarig, Robert-André F; Nelson, John M.; Vedejs, Edwin","Synthesis of a Nonracemic C2-Symmetric Tetrahydro-1,4-azaborine and Evaluation of Hydroboration Enantioselectivity.","The Journal of organic chemistry","2017","82","23","12757","12762","10.1021/acs.joc.7b01904","","","0.71073","MoKα","","0.0681","0.0608","","","0.1589","0.1652","","","","","","1.025","","","","has coordinates","204865","2020-10-21","18:00:00",""
"4033181","11.3384","0.0004","11.3384","0.0004","17.9222","0.0011","90","","90","","90","","2304.07","0.18","85","2","85","2","","","","","","","","6","P 41","P 4w","76","","","","- C20 H33 B N2 O4 S -","- C20 H33 B N2 O4 S -","- C80 H132 B4 N8 O16 S4 -","4","1","","Rarig, Robert-André F; Nelson, John M.; Vedejs, Edwin","Synthesis of a Nonracemic C2-Symmetric Tetrahydro-1,4-azaborine and Evaluation of Hydroboration Enantioselectivity.","The Journal of organic chemistry","2017","82","23","12757","12762","10.1021/acs.joc.7b01904","","","0.71073","MoKα","","0.037","0.0356","","","0.096","0.0975","","","","","","1.046","","","","has coordinates","204865","2020-10-21","18:00:00",""
"4033182","7.6936","0.0013","7.8268","0.0014","13.667","0.002","93.177","0.005","94.183","0.004","119.259","0.004","712.1","0.2","296","2","296","2","","","","","","","","4","P -1","-P 1","2","","","","- C17 H18 O2 S -","- C17 H18 O2 S -","- C34 H36 O4 S2 -","2","1","","Zou, Liang-Hua; Zhao, Cong; Li, Ping-Gui; Wang, Ying; Li, Jie","Transition-Metal-Free C-S Bond Formation: Synthesis of Polysubstituted Diaryl Sulfides and α-Thioarylcarbonyl Compounds.","The Journal of organic chemistry","2017","82","23","12892","12898","10.1021/acs.joc.7b02384","","","0.71073","MoKα","","0.0494","0.0427","","","0.1155","0.1199","","","","","","1.079","","","","has coordinates","204867","2020-10-21","18:00:00",""
"4033183","10.094","0.0003","10.1679","0.0003","12.6813","0.0003","81.8483","0.0013","72.4104","0.0012","71.5178","0.0011","1175.17","0.06","296","2","296","2","","","","","","","","5","P -1","-P 1","2","","","","- C28 H25 F3 N2 O2 -","- C28 H25 F3 N2 O2 -","- C56 H50 F6 N4 O4 -","2","1","","Pandey, Vinay Kumar; Anbarasan, Pazhamalai","One-Pot Trifluoromethylative Functionalization of Amides: Synthesis of Trifluoromethylated Bis(indolyl)arylmethanes and Triarylmethanes.","The Journal of organic chemistry","2017","82","23","12328","12336","10.1021/acs.joc.7b02161","","x-ray","0.71073","MoKα","","0.0751","0.0566","","","0.1669","0.1846","","","","","","1.042","","","","has coordinates","204869","2020-10-21","18:00:00",""
"4033184","12.0569","0.0008","4.7415","0.0003","13.0804","0.0009","90","","111.418","0.005","90","","696.14","0.08","130","2","130","2","","","","","","","","2","C 1 2 1","C 2y","5","","'Compound 2a'","","- C20 H18 -","- C20 H18 -","- C40 H36 -","2","0.5","","Mühlhäuser, Tina; Savin, Alex; Frey, Wolfgang; Baro, Angelika; Schneider, Andreas J.; Döteberg, Heinz-Günter; Bauer, Florian; Köhn, Andreas; Laschat, Sabine","Role of Regioisomeric Bicyclo[3.3.0]octa-2,5-diene Ligands in Rh Catalysis: Synthesis, Structural Analysis, Theoretical Study, and Application in Asymmetric 1,2- and 1,4-Additions.","The Journal of organic chemistry","2017","82","24","13468","13480","10.1021/acs.joc.7b02601","","","1.54178","CuKα","","0.0298","0.0279","","","0.0721","0.0732","","","","","","1.024","","","","has coordinates","204805","2020-10-21","18:00:00",""
"4033185","36.346","0.0015","36.346","0.0015","5.8926","0.0003","90","","90","","120","","6741.4","0.5","130","2","130","2","","","","","","","","2","R -3 :H","-R 3","148","","compound 7a","","- C20 H18 -","- C20 H18 -","- C360 H324 -","18","1","","Mühlhäuser, Tina; Savin, Alex; Frey, Wolfgang; Baro, Angelika; Schneider, Andreas J.; Döteberg, Heinz-Günter; Bauer, Florian; Köhn, Andreas; Laschat, Sabine","Role of Regioisomeric Bicyclo[3.3.0]octa-2,5-diene Ligands in Rh Catalysis: Synthesis, Structural Analysis, Theoretical Study, and Application in Asymmetric 1,2- and 1,4-Additions.","The Journal of organic chemistry","2017","82","24","13468","13480","10.1021/acs.joc.7b02601","","","1.54178","CuKα","","0.0548","0.0415","","","0.108","0.1153","","","","","","1.044","","","","has coordinates","204805","2020-10-21","18:00:00",""
"4033186","21.865","0.0013","11.0751","0.0008","14.5182","0.001","90","","91.754","0.002","90","","3514","0.4","130","2","130","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","'compound [RhCl(7a)]2'","","- C41 H38 Cl4 Rh2 -","- C41 H38 Cl4 Rh2 -","- C164 H152 Cl16 Rh8 -","4","0.5","","Mühlhäuser, Tina; Savin, Alex; Frey, Wolfgang; Baro, Angelika; Schneider, Andreas J.; Döteberg, Heinz-Günter; Bauer, Florian; Köhn, Andreas; Laschat, Sabine","Role of Regioisomeric Bicyclo[3.3.0]octa-2,5-diene Ligands in Rh Catalysis: Synthesis, Structural Analysis, Theoretical Study, and Application in Asymmetric 1,2- and 1,4-Additions.","The Journal of organic chemistry","2017","82","24","13468","13480","10.1021/acs.joc.7b02601","","","0.71073","MoKα","","0.0369","0.0253","","","0.0585","0.0618","","","","","","1.028","","","","has coordinates","204805","2020-10-21","18:00:00",""
"4033187","12.2875","0.0006","17.5098","0.0008","33.0426","0.0018","90","","90","","90","","7109.2","0.6","130","2","130","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","'compound [RhCl(2a)]2'","","- C41 H38 Cl4 Rh2 -","- C41 H38 Cl4 Rh2 -","- C328 H304 Cl32 Rh16 -","8","2","","Mühlhäuser, Tina; Savin, Alex; Frey, Wolfgang; Baro, Angelika; Schneider, Andreas J.; Döteberg, Heinz-Günter; Bauer, Florian; Köhn, Andreas; Laschat, Sabine","Role of Regioisomeric Bicyclo[3.3.0]octa-2,5-diene Ligands in Rh Catalysis: Synthesis, Structural Analysis, Theoretical Study, and Application in Asymmetric 1,2- and 1,4-Additions.","The Journal of organic chemistry","2017","82","24","13468","13480","10.1021/acs.joc.7b02601","","","0.71073","MoKα","","0.0638","0.0411","","","0.0754","0.0804","","","","","","1.008","","","","has coordinates","204805","2020-10-21","18:00:00",""
"4033188","13.4732","0.0005","14.8888","0.0006","9.621","0.0004","90","","90","","90","","1929.97","0.13","298","2","298","2","","","","","","","","5","P n a 21","P 2c -2n","33","","","","- C25 H21 N O S -","- C25 H21 N O S -","- C100 H84 N4 O4 S4 -","4","1","","Gao, Wen-Chao; Liu, Tao; Cheng, Yu-Fei; Chang, Hong-Hong; Li, Xing; Zhou, Rong; Wei, Wen-Long; Qiao, Yan","AlCl3-Catalyzed Intramolecular Cyclization of N-Arylpropynamides with N-Sulfanylsuccinimides: Divergent Synthesis of 3-Sulfenyl Quinolin-2-ones and Azaspiro[4,5]trienones.","The Journal of organic chemistry","2017","82","24","13459","13467","10.1021/acs.joc.7b02498","","","0.71073","MoKα","","0.0664","0.0422","","","0.0832","0.0926","","","","","","1.031","","","","has coordinates","204811","2020-10-21","18:00:00",""
"4033189","14.829","0.002","7.658","0.001","16.225","0.002","90","","114.477","0.009","90","","1676.9","0.4","230","2","230","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C19 H23 B N2 -","- C19 H23 B N2 -","- C76 H92 B4 N8 -","4","1","","Watanabe, Takashi; Geib, Steven J.; Curran, Dennis P.; Taniguchi, Tsuyoshi","N-Heterocyclic Carbene Boranes are Hydrogen Donors in Masamune-Bergman Reactions of Benzo[3,4]cyclodec-3-ene-1,5-diynes.","The Journal of organic chemistry","2017","82","24","13034","13042","10.1021/acs.joc.7b01981","","","1.54178","CuKα","","0.2706","0.0916","","","0.219","0.288","","","","","","1.059","","","","has coordinates","204794","2020-10-21","18:00:00",""
"4033190","21.63","0.005","10.13","0.005","7.429","0.002","90","","90","","90","","1627.8","1","230","2","230","2","","","","","","","","4","P c a 21","P 2c -2ac","29","","","","- C18 H22 B N3 -","- C18 H22 B N3 -","- C72 H88 B4 N12 -","4","1","","Watanabe, Takashi; Geib, Steven J.; Curran, Dennis P.; Taniguchi, Tsuyoshi","N-Heterocyclic Carbene Boranes are Hydrogen Donors in Masamune-Bergman Reactions of Benzo[3,4]cyclodec-3-ene-1,5-diynes.","The Journal of organic chemistry","2017","82","24","13034","13042","10.1021/acs.joc.7b01981","","","1.54178","CuKα","","0.1766","0.0791","","","0.1621","0.2118","","","","","","1.099","","","","has coordinates","204794","2020-10-21","18:00:00",""
"4033191","8.1392","0.0005","12.5325","0.0008","17.0339","0.0012","90","","90","","90","","1737.5","0.2","230","2","230","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C20 H22 B N3 -","- C20 H22 B N3 -","- C80 H88 B4 N12 -","4","1","","Watanabe, Takashi; Geib, Steven J.; Curran, Dennis P.; Taniguchi, Tsuyoshi","N-Heterocyclic Carbene Boranes are Hydrogen Donors in Masamune-Bergman Reactions of Benzo[3,4]cyclodec-3-ene-1,5-diynes.","The Journal of organic chemistry","2017","82","24","13034","13042","10.1021/acs.joc.7b01981","","","1.54178","CuKα","","0.1102","0.0553","","","0.132","0.155","","","","","","1.091","","","","has coordinates","204794","2020-10-21","18:00:00",""
"4033192","6.97","0.002","7.005","0.002","34.186","0.011","90","","90","","90","","1669.1","0.9","100","2","100","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C18 H22 N2 O5 -","- C18 H22 N2 O5 -","- C72 H88 N8 O20 -","4","1","","Roizen, Jennifer L.; Jones, Amanda C.; Smith, Russell C.; Virgil, Scott C.; Stoltz, Brian M.","Model Studies To Access the [6,7,5,5]-Core of Ineleganolide Using Tandem Translactonization-Cope or Cyclopropanation-Cope Rearrangements as Key Steps.","The Journal of organic chemistry","2017","82","24","13051","13067","10.1021/acs.joc.7b02030","","","0.71073","MoKα","","0.1046","0.0694","","","0.1073","0.1141","","","","","","1.298","","","","has coordinates","204795","2020-10-21","18:00:00",""
"4033193","6.3211","0.0002","8.5298","0.0002","20.3965","0.0008","90","","90.395","0.001","90","","1099.71","0.06","180","2","180","2","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C25 H24 Cl N O2 S -","- C25 H24 Cl N O2 S -","- C50 H48 Cl2 N2 O4 S2 -","2","1","","Crespin, Lorène N S; Greb, Andreas; Blakemore, David C.; Ley, Steven V.","Visible-Light-Mediated Annulation of Electron-Rich Alkenes and Nitrogen-Centered Radicals from N-Sulfonylallylamines: Construction of Chloromethylated Pyrrolidine Derivatives.","The Journal of organic chemistry","2017","82","24","13093","13108","10.1021/acs.joc.7b02146","","","0.71073","MoKα","","0.0492","0.0391","","","0.0841","0.0891","","","","","","1.047","","","","has coordinates","204796","2020-10-21","18:00:00",""
"4033194","14.1684","0.0003","9.609","0.0002","14.3695","0.0003","90","","90","","90","","1956.32","0.07","180","2","180","2","","","","","","","","6","P c a 21","P 2c -2ac","29","","","","- C20 H24 Cl N O3 S -","- C20 H24 Cl N O3 S -","- C80 H96 Cl4 N4 O12 S4 -","4","1","","Crespin, Lorène N S; Greb, Andreas; Blakemore, David C.; Ley, Steven V.","Visible-Light-Mediated Annulation of Electron-Rich Alkenes and Nitrogen-Centered Radicals from N-Sulfonylallylamines: Construction of Chloromethylated Pyrrolidine Derivatives.","The Journal of organic chemistry","2017","82","24","13093","13108","10.1021/acs.joc.7b02146","","","1.54178","CuKα","","0.0278","0.0259","","","0.0632","0.0645","","","","","","1.049","","","","has coordinates","204796","2020-10-21","18:00:00",""
"4033195","18.844","0.003","5.5118","0.0009","12.7313","0.0016","90","","107.388","0.006","90","","1261.9","0.3","296","2","296","2","","","","","","","","3","P 1 2/c 1","-P 2yc","13","","","","- C30 H30 O6 -","- C30 H30 O6 -","- C60 H60 O12 -","2","0.5","","Jha, Vishwajeet; Goyal, Navneet; Stevens, Cheryl K.; Stevens, Edwin; Sridhar, Jayalakshmi","Synthetic Method to Form 2,2'-Bis(naphthoquinone) Compounds.","The Journal of organic chemistry","2017","82","24","13686","13692","10.1021/acs.joc.7b02501","","","0.71073","MoKα","","0.0858","0.0717","","","0.1719","0.1771","","","","","","1.064","","","","has coordinates","204798","2020-10-21","18:00:00",""
"4033196","8.1655","0.0013","10.6003","0.0018","12.896","0.002","76.273","0.006","87.655","0.007","78.31","0.006","1061.8","0.3","295","2","295","2","","","","","","","","4","P -1","-P 1","2","","","","- C24 H19 N O8 -","- C24 H19 N O8 -","- C48 H38 N2 O16 -","2","1","","Bisht, Shweta; Peddinti, Rama Krishna","FeCl3-Mediated Domino Reaction of Benzoxazinones with Aroylmethylidene Malonates: Synthesis to Functionalized Pyrrolobenzoxazines.","The Journal of organic chemistry","2017","82","24","13617","13625","10.1021/acs.joc.7b02207","","","0.71073","MoKα","","0.049","0.0428","","","0.1187","0.124","","","","","","1.052","","","","has coordinates","204806","2020-10-21","18:00:00",""
"4033197","10.7578","0.0012","8.1502","0.0009","16.2547","0.0016","90","","103.833","0.005","90","","1383.8","0.3","100","2","100","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C16 H10 Br N O3 -","- C16 H10 Br N O3 -","- C64 H40 Br4 N4 O12 -","4","1","","Wurm, Thomas; Turnbull, Ben W. H.; Ambler, Brett R.; Krische, Michael J.","Thermal Hetero-Diels-Alder Reaction of Benzocyclobutenones with Isatins To Form 2-Oxindole Spirolactones.","The Journal of organic chemistry","2017","82","24","13751","13755","10.1021/acs.joc.7b02769","","","0.71073","MoKα","","0.0626","0.044","","","0.1051","0.1145","","","","","","1.029","","","","has coordinates","204814","2020-10-21","18:00:00",""
"4033198","14.1234","0.0008","10.611","0.0012","15.8504","0.0012","90","","105.486","0.006","90","","2289.2","0.3","100.3","","100.3","","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C26 H26 F3 N O4 -","- C26 H26 F3 N O4 -","- C104 H104 F12 N4 O16 -","4","1","","Cheng, Jian; Sun, Jun; Yan, Jiekuan; Yang, Song; Zheng, Pengcheng; Jin, Zhichao; Chi, Yonggui Robin","Carbene-Catalyzed Indole 3-Methyl C(sp3)-H Bond Functionalization.","The Journal of organic chemistry","2017","82","24","13342","13347","10.1021/acs.joc.7b02436","","","0.7107","MoKα","","0.0605","0.0489","","","0.1131","0.122","","","","","","1.025","","","","has coordinates","204817","2020-10-21","18:00:00",""
"4033199","10.691","","21.5103","","14.9915","","90","","98.822","","90","","3406.76","","143","","143","","","","","","","","","7","P 1 21/m 1","-P 2yb","11","","","","- C59 H56 Cl2 F12 N4 O8 Sb2 -","- C59 H56 Cl2 F12 N4 O8 Sb2 -","- C118 H112 Cl4 F24 N8 O16 Sb4 -","2","0.5","","Sakamaki, Daisuke; Ito, Akihiro; Tsutsui, Yusuke; Seki, Shu","Tetraaza[14]- and Octaaza[18]paracyclophane: Synthesis and Characterization of Their Neutral and Cationic States.","The Journal of organic chemistry","2017","82","24","13348","13358","10.1021/acs.joc.7b02437","","","0.71075","MoKα","","0.1254","0.085","","","0.2052","0.2367","","","","","","1.004","","","","has coordinates","204818","2020-10-21","18:00:00",""
"4033200","25.919","0.012","25.919","0.012","11.739","0.006","90","","90","","90","","7886","7","143","","143","","","","","","","","","6","I -4","I -4","82","","","","- C120 H124 Cl44 N8 O8 Sb6 -","- C120 H96 Cl44 N8 O8 Sb6 -","- C240 H192 Cl88 N16 O16 Sb12 -","2","0.25","","Sakamaki, Daisuke; Ito, Akihiro; Tsutsui, Yusuke; Seki, Shu","Tetraaza[14]- and Octaaza[18]paracyclophane: Synthesis and Characterization of Their Neutral and Cationic States.","The Journal of organic chemistry","2017","82","24","13348","13358","10.1021/acs.joc.7b02437","","","0.71075","MoKα","","0.0786","0.0587","","","0.1237","0.1371","","","","","","0.909","","","","has coordinates","204818","2020-10-21","18:00:00",""
"4033201","12.216","0.002","15.614","0.003","23.054","0.004","90","","92.341","0.003","90","","4393.7","1.3","143","","143","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C53 H46 Cl2 N4 O4 -","- C53 H46 Cl2 N4 O4 -","- C212 H184 Cl8 N16 O16 -","4","1","","Sakamaki, Daisuke; Ito, Akihiro; Tsutsui, Yusuke; Seki, Shu","Tetraaza[14]- and Octaaza[18]paracyclophane: Synthesis and Characterization of Their Neutral and Cationic States.","The Journal of organic chemistry","2017","82","24","13348","13358","10.1021/acs.joc.7b02437","","","0.71075","MoKα","","0.1455","0.0778","","","0.1886","0.2234","","","","","","0.85","","","","has coordinates","204818","2020-10-21","18:00:00",""
"4033202","15.3053","0.0004","14.8181","0.0005","8.1391","0.0004","90","","96.118","0.003","90","","1835.4","0.12","100","2","100","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C20 H18 Cl N2 O4 -","- C20 H17 Cl N2 O4 -","- C80 H68 Cl4 N8 O16 -","4","1","","Novikov, Mikhail S.; Rostovskii, Nikolai V.; Koronatov, Alexander N.; Zavyalov, Kirill V.; Zubakin, Grigory V.; Khlebnikov, Alexander F.; Starova, Galina L.","Synthesis of 1,2-Dihydropyrimidine-2-carboxylates via Regioselective Addition of Rhodium(II) Carbenoids to 2H-Azirine-2-carbaldimines.","The Journal of organic chemistry","2017","82","24","13396","13404","10.1021/acs.joc.7b02484","","","0.71073","MoKα","","0.0723","0.0558","","","0.1223","0.1323","","","","","","1.024","","","","has coordinates,has disorder","204819","2020-10-21","18:00:00",""
"4033203","11.4731","0.0004","20.694","0.0004","11.6733","0.0004","90","","116.529","0.004","90","","2479.71","0.16","100","2","100","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C25 H21 Cl F6 N2 O4 -","- C25 H21 Cl F6 N2 O4 -","- C100 H84 Cl4 F24 N8 O16 -","4","1","","Novikov, Mikhail S.; Rostovskii, Nikolai V.; Koronatov, Alexander N.; Zavyalov, Kirill V.; Zubakin, Grigory V.; Khlebnikov, Alexander F.; Starova, Galina L.","Synthesis of 1,2-Dihydropyrimidine-2-carboxylates via Regioselective Addition of Rhodium(II) Carbenoids to 2H-Azirine-2-carbaldimines.","The Journal of organic chemistry","2017","82","24","13396","13404","10.1021/acs.joc.7b02484","","","0.71073","MoKα","","0.0505","0.038","","","0.0793","0.0848","","","","","","1.055","","","","has coordinates","204819","2020-10-21","18:00:00",""
"4033204","7.5654","0.0004","11.1449","0.0009","14.5379","0.0011","79.542","0.007","81.945","0.006","88.919","0.006","1193.49","0.15","100","2","100","2","","","","","","","","6","P -1","-P 1","2","","","","- C25 H21 Cl F6 N2 O4 -","- C25 H21 Cl F6 N2 O4 -","- C50 H42 Cl2 F12 N4 O8 -","2","1","","Novikov, Mikhail S.; Rostovskii, Nikolai V.; Koronatov, Alexander N.; Zavyalov, Kirill V.; Zubakin, Grigory V.; Khlebnikov, Alexander F.; Starova, Galina L.","Synthesis of 1,2-Dihydropyrimidine-2-carboxylates via Regioselective Addition of Rhodium(II) Carbenoids to 2H-Azirine-2-carbaldimines.","The Journal of organic chemistry","2017","82","24","13396","13404","10.1021/acs.joc.7b02484","","","0.7107","MoKα","","0.0607","0.041","","","0.0798","0.091","","","","","","1.014","","","","has coordinates","204819","2020-10-21","18:00:00",""
"4033205","9.2367","0.0003","9.8868","0.0003","14.3883","0.0004","96.813","0.003","93.134","0.003","107.521","0.003","1238.47","0.07","100","2","100","2","","","","","","","","6","P -1","-P 1","2","","","","- C25 H21 Cl F6 N2 O4 -","- C25 H21 Cl F6 N2 O4 -","- C50 H42 Cl2 F12 N4 O8 -","2","1","","Novikov, Mikhail S.; Rostovskii, Nikolai V.; Koronatov, Alexander N.; Zavyalov, Kirill V.; Zubakin, Grigory V.; Khlebnikov, Alexander F.; Starova, Galina L.","Synthesis of 1,2-Dihydropyrimidine-2-carboxylates via Regioselective Addition of Rhodium(II) Carbenoids to 2H-Azirine-2-carbaldimines.","The Journal of organic chemistry","2017","82","24","13396","13404","10.1021/acs.joc.7b02484","","","0.71073","MoKα","","0.0649","0.0528","","","0.1385","0.1464","","","","","","1.045","","","","has coordinates","204819","2020-10-21","18:00:00",""
"4033206","8.959","0.002","10.712","0.003","11.971","0.003","98.262","0.004","97.066","0.004","100.438","0.004","1104.9","0.5","298","2","298","2","","","","","","","","5","P -1","-P 1","2","","","","- C26 H22 Br N O3 -","- C26 H22 Br N O3 -","- C52 H44 Br2 N2 O6 -","2","1","","Kroc, Michelle A.; Prajapati, Ami; Wink, Donald J.; Anderson, Laura L.","Cascade Synthesis of 3-Functionalized Indoles from Nitrones and their Conversion to Cycloheptanone-Fused Indoles.","The Journal of organic chemistry","2017","","","","","10.1021/acs.joc.7b02638","","","0.71073","MoKα","","0.0643","0.0412","","","0.115","0.1325","","","","","","0.843","","","","has coordinates","203646","2020-10-21","18:00:00",""
"4033207","6.9803","0.0008","14.8048","0.0016","14.8173","0.0017","90","","90","","90","","1531.2","0.3","128","2","128","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C18 H12 Cl N O5 -","- C18 H12 Cl N O5 -","- C72 H48 Cl4 N4 O20 -","4","1","","Zhang, Jing; Yin, Guohui; Du, Yuchao; Yang, Ziqi; Li, Yang; Chen, Ligong","Michael-Michael Addition Reactions Promoted by Secondary Amine-Thiourea: Stereocontrolled Construction of Barbiturate-Fused Tetrahydropyrano Scaffolds and Pyranocoumarins.","The Journal of organic chemistry","2017","82","24","13594","13601","10.1021/acs.joc.7b01902","","","0.71073","MoKα","","0.0232","0.0227","","","0.0618","0.062","","","","","","1.043","","","","has coordinates","204803","2020-10-21","18:00:00",""
"4033208","10.132","0.002","20.982","0.005","7.485","0.002","90","","91.647","0.007","90","","1590.6","0.7","128","2","128","2","","","","","","","","5","C 1 c 1","C -2yc","9","","","","- C15 H13 Cl2 N3 O5 -","- C15 H13 Cl2 N3 O5 -","- C60 H52 Cl8 N12 O20 -","4","1","","Zhang, Jing; Yin, Guohui; Du, Yuchao; Yang, Ziqi; Li, Yang; Chen, Ligong","Michael-Michael Addition Reactions Promoted by Secondary Amine-Thiourea: Stereocontrolled Construction of Barbiturate-Fused Tetrahydropyrano Scaffolds and Pyranocoumarins.","The Journal of organic chemistry","2017","82","24","13594","13601","10.1021/acs.joc.7b01902","","","0.71073","MoKα","","0.0254","0.0248","","","0.0678","0.0683","","","","","","1.046","","","","has coordinates","204803","2020-10-21","18:00:00",""
"4033209","10.3202","0.0013","15.352","0.0019","20.375","0.003","69.201","0.004","81.721","0.004","89.922","0.004","2982","0.7","296","2","296","2","","","","","","","","5","P -1","-P 1","2","","","","- C36 H31 Cl N2 O3 -","- C36 H31 Cl N2 O3 -","- C144 H124 Cl4 N8 O12 -","4","2","","Yang, Ren-Yin; Sun, Jing; Tao, Yao; Sun, Qiu; Yan, Chao-Guo","TfOH-Catalyzed One-Pot Domino Reaction for Diastereoselective Synthesis of Polysubstituted Tetrahydrospiro[carbazole-1,3'-indoline]s.","The Journal of organic chemistry","2017","82","24","13277","13287","10.1021/acs.joc.7b02397","","","0.71073","MoKα","","0.2269","0.0832","","","0.1627","0.2106","","","","","","1.005","","","","has coordinates","204807","2020-10-21","18:00:00",""
"4033210","12.755","0.004","17.504","0.005","12.366","0.004","90","","104.956","0.011","90","","2667.4","1.4","296","2","296","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C30 H28 N2 O3 -","- C30 H28 N2 O3 -","- C120 H112 N8 O12 -","4","1","","Yang, Ren-Yin; Sun, Jing; Tao, Yao; Sun, Qiu; Yan, Chao-Guo","TfOH-Catalyzed One-Pot Domino Reaction for Diastereoselective Synthesis of Polysubstituted Tetrahydrospiro[carbazole-1,3'-indoline]s.","The Journal of organic chemistry","2017","82","24","13277","13287","10.1021/acs.joc.7b02397","","","0.71073","MoKα","","0.2485","0.1434","","","0.3515","0.3997","","","","","","1.085","","","","has coordinates","204807","2020-10-21","18:00:00",""
"4033211","10.145","0.005","12.381","0.006","13.498","0.007","75.693","0.014","83.221","0.016","85.987","0.016","1629.9","1.4","296","2","296","2","","","","","","","","5","P -1","-P 1","2","","","","- C33 H33 Cl N2 O3 -","- C33 H33 Cl N2 O3 -","- C66 H66 Cl2 N4 O6 -","2","1","","Yang, Ren-Yin; Sun, Jing; Tao, Yao; Sun, Qiu; Yan, Chao-Guo","TfOH-Catalyzed One-Pot Domino Reaction for Diastereoselective Synthesis of Polysubstituted Tetrahydrospiro[carbazole-1,3'-indoline]s.","The Journal of organic chemistry","2017","82","24","13277","13287","10.1021/acs.joc.7b02397","","","0.71073","MoKα","","0.2276","0.1388","","","0.3446","0.3919","","","","","","1.096","","","","has coordinates","204807","2020-10-21","18:00:00",""
"4033212","10.947","0.006","11.922","0.006","13.843","0.007","98.659","0.016","110.407","0.016","99.101","0.015","1630.1","1.5","296","2","296","2","","","","","","","","5","P -1","-P 1","2","","","","- C35 H29 Cl N2 O3 -","- C35 H29 Cl N2 O3 -","- C70 H58 Cl2 N4 O6 -","2","1","","Yang, Ren-Yin; Sun, Jing; Tao, Yao; Sun, Qiu; Yan, Chao-Guo","TfOH-Catalyzed One-Pot Domino Reaction for Diastereoselective Synthesis of Polysubstituted Tetrahydrospiro[carbazole-1,3'-indoline]s.","The Journal of organic chemistry","2017","82","24","13277","13287","10.1021/acs.joc.7b02397","","","0.71073","MoKα","","0.2957","0.1096","","","0.2835","0.3591","","","","","","1.016","","","","has coordinates","204807","2020-10-21","18:00:00",""
"4033213","21.8784","0.0019","16.5957","0.0014","9.1581","0.0007","90","","90","","90","","3325.2","0.5","296","2","296","2","","","","","","","","4","P n a 21","P 2c -2n","33","","","","- C41 H33 N3 O4 -","- C41 H33 N3 O4 -","- C164 H132 N12 O16 -","4","1","","Yang, Ren-Yin; Sun, Jing; Tao, Yao; Sun, Qiu; Yan, Chao-Guo","TfOH-Catalyzed One-Pot Domino Reaction for Diastereoselective Synthesis of Polysubstituted Tetrahydrospiro[carbazole-1,3'-indoline]s.","The Journal of organic chemistry","2017","82","24","13277","13287","10.1021/acs.joc.7b02397","","","0.71073","MoKα","","0.136","0.0537","","","0.0915","0.1112","","","","","","1.01","","","","has coordinates","204807","2020-10-21","18:00:00",""
"4033214","12.0103","0.0008","12.0103","0.0008","43.759","0.003","90","","90","","90","","6312.1","0.7","296","2","296","2","","","","","","","","5","P 43","P 4cw","78","","","","- C40 H31 Cl N2 O2 -","- C40 H31 Cl N2 O2 -","- C320 H248 Cl8 N16 O16 -","8","2","","Yang, Ren-Yin; Sun, Jing; Tao, Yao; Sun, Qiu; Yan, Chao-Guo","TfOH-Catalyzed One-Pot Domino Reaction for Diastereoselective Synthesis of Polysubstituted Tetrahydrospiro[carbazole-1,3'-indoline]s.","The Journal of organic chemistry","2017","82","24","13277","13287","10.1021/acs.joc.7b02397","","","0.71073","MoKα","","0.2475","0.168","","","0.4082","0.4526","","","","","","1.092","","","","has coordinates","204807","2020-10-21","18:00:00",""
"4033215","8.4622","0.0007","18.6062","0.0015","22.0126","0.0017","90","","94.106","0.002","90","","3457","0.5","296","2","296","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C39 H39 Cl N2 O4 -","- C39 H39 Cl N2 O4 -","- C156 H156 Cl4 N8 O16 -","4","1","","Yang, Ren-Yin; Sun, Jing; Tao, Yao; Sun, Qiu; Yan, Chao-Guo","TfOH-Catalyzed One-Pot Domino Reaction for Diastereoselective Synthesis of Polysubstituted Tetrahydrospiro[carbazole-1,3'-indoline]s.","The Journal of organic chemistry","2017","82","24","13277","13287","10.1021/acs.joc.7b02397","","","0.71073","MoKα","","0.1302","0.0733","","","0.1993","0.2231","","","","","","1.06","","","","has coordinates,has disorder","204807","2020-10-21","18:00:00",""
"4033216","12.5051","0.0019","9.5333","0.0015","26.477","0.004","90","","100.969","0.005","90","","3098.8","0.8","296","2","296","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C39 H35 Cl N2 O2 -","- C39 H35 Cl N2 O2 -","- C156 H140 Cl4 N8 O8 -","4","1","","Yang, Ren-Yin; Sun, Jing; Tao, Yao; Sun, Qiu; Yan, Chao-Guo","TfOH-Catalyzed One-Pot Domino Reaction for Diastereoselective Synthesis of Polysubstituted Tetrahydrospiro[carbazole-1,3'-indoline]s.","The Journal of organic chemistry","2017","82","24","13277","13287","10.1021/acs.joc.7b02397","","","0.71073","MoKα","","0.268","0.0772","","","0.1265","0.1536","","","","","","0.944","","","","has coordinates","204807","2020-10-21","18:00:00",""
"4033217","11.181","0.003","10.487","0.003","24.288","0.007","90","","99.83","0.01","90","","2806.1","1.4","296","2","296","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C33 H31 Cl N2 O3 -","- C33 H31 Cl N2 O3 -","- C132 H124 Cl4 N8 O12 -","4","1","","Yang, Ren-Yin; Sun, Jing; Tao, Yao; Sun, Qiu; Yan, Chao-Guo","TfOH-Catalyzed One-Pot Domino Reaction for Diastereoselective Synthesis of Polysubstituted Tetrahydrospiro[carbazole-1,3'-indoline]s.","The Journal of organic chemistry","2017","82","24","13277","13287","10.1021/acs.joc.7b02397","","","0.71073","MoKα","","0.1457","0.0652","","","0.1338","0.1616","","","","","","1.013","","","","has coordinates","204807","2020-10-21","18:00:00",""
"4033218","15.6205","0.0014","11.6653","0.0009","16.5056","0.0014","90","","90","","90","","3007.6","0.4","296","2","296","2","","","","","","","","5","P n a 21","P 2c -2n","33","","","","- C36 H37 Cl N2 O3 -","- C36 H37 Cl N2 O3 -","- C144 H148 Cl4 N8 O12 -","4","1","","Yang, Ren-Yin; Sun, Jing; Tao, Yao; Sun, Qiu; Yan, Chao-Guo","TfOH-Catalyzed One-Pot Domino Reaction for Diastereoselective Synthesis of Polysubstituted Tetrahydrospiro[carbazole-1,3'-indoline]s.","The Journal of organic chemistry","2017","82","24","13277","13287","10.1021/acs.joc.7b02397","","","0.71073","MoKα","","0.1029","0.0573","","","0.1326","0.1499","","","","","","1.019","","","","has coordinates","204807","2020-10-21","18:00:00",""
"4033219","8.472","0.0004","13.9354","0.0007","14.9305","0.0007","62.4022","0.0014","77.6344","0.0015","88.9009","0.0016","1519.37","0.13","296","2","296","2","","","","","","","","5","P -1","-P 1","2","","","","- C35 H29 Cl N2 O3 -","- C35 H29 Cl N2 O3 -","- C70 H58 Cl2 N4 O6 -","2","1","","Yang, Ren-Yin; Sun, Jing; Tao, Yao; Sun, Qiu; Yan, Chao-Guo","TfOH-Catalyzed One-Pot Domino Reaction for Diastereoselective Synthesis of Polysubstituted Tetrahydrospiro[carbazole-1,3'-indoline]s.","The Journal of organic chemistry","2017","82","24","13277","13287","10.1021/acs.joc.7b02397","","","0.71073","MoKα","","0.0943","0.0584","","","0.1529","0.1704","","","","","","1.027","","","","has coordinates","204807","2020-10-21","18:00:00",""
"4033220","28.176","0.015","10.794","0.004","23.96","0.009","90","","102.371","0.019","90","","7118","5","296","2","296","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C40 H31 Cl N2 O2 -","- C40 H31 Cl N2 O2 -","- C320 H248 Cl8 N16 O16 -","8","1","","Yang, Ren-Yin; Sun, Jing; Tao, Yao; Sun, Qiu; Yan, Chao-Guo","TfOH-Catalyzed One-Pot Domino Reaction for Diastereoselective Synthesis of Polysubstituted Tetrahydrospiro[carbazole-1,3'-indoline]s.","The Journal of organic chemistry","2017","82","24","13277","13287","10.1021/acs.joc.7b02397","","","0.71073","MoKα","","0.1808","0.0798","","","0.2267","0.2543","","","","","","1.039","","","","has coordinates","204807","2020-10-21","18:00:00",""
"4033221","35.6802","0.0016","8.9154","0.0004","25.3738","0.0013","90","","125.393","0.0012","90","","6579.9","0.5","296","2","296","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C35 H29 Cl N2 O3 -","- C35 H29 Cl N2 O3 -","- C280 H232 Cl8 N16 O24 -","8","1","","Yang, Ren-Yin; Sun, Jing; Tao, Yao; Sun, Qiu; Yan, Chao-Guo","TfOH-Catalyzed One-Pot Domino Reaction for Diastereoselective Synthesis of Polysubstituted Tetrahydrospiro[carbazole-1,3'-indoline]s.","The Journal of organic chemistry","2017","82","24","13277","13287","10.1021/acs.joc.7b02397","","","0.71073","MoKα","","0.1122","0.0643","","","0.1649","0.1883","","","","","","1.037","","","","has coordinates,has disorder","204807","2020-10-21","18:00:00",""
"4033222","7.8293","0.0016","12.489","0.003","12.762","0.003","101.18","0.03","94.22","0.03","97.69","0.03","1206.8","0.5","180","2","180","2","","","","","","","","6","P -1","-P 1","2","","","","- C28 H29 B N2 O S -","- C28 H29 B N2 O S -","- C56 H58 B2 N4 O2 S2 -","2","1","","Yuan, Kang; Wang, Xiang; Mellerup, Soren K.; Kozin, Igor; Wang, Suning","Spiro-BODIPYs with a Diaryl Chelate: Impact on Aggregation and Luminescence.","The Journal of organic chemistry","2017","82","24","13481","13487","10.1021/acs.joc.7b02602","","","0.71073","MoKα","","0.0785","0.048","","","0.1155","0.1316","","","","","","1.074","","","","has coordinates","256620","2020-10-21","18:00:00",""
"4033223","7.7972","0.0004","11.7876","0.0006","12.3016","0.0007","66.098","0.003","82.745","0.004","77.286","0.004","1007.46","0.1","180","2","180","2","","","","","","","","5","P -1","-P 1","2","","","","- C25 H23 B N2 O -","- C25 H23 B N2 O -","- C50 H46 B2 N4 O2 -","2","1","","Yuan, Kang; Wang, Xiang; Mellerup, Soren K.; Kozin, Igor; Wang, Suning","Spiro-BODIPYs with a Diaryl Chelate: Impact on Aggregation and Luminescence.","The Journal of organic chemistry","2017","82","24","13481","13487","10.1021/acs.joc.7b02602","","","0.71073","MoKα","","0.1037","0.0739","","","0.2274","0.245","","","","","","1.107","","","","has coordinates","204809","2020-10-21","18:00:00",""
"4033224","8.9083","0.0003","14.5182","0.0005","21.1754","0.0007","90","","100.057","0.002","90","","2696.59","0.16","180","2","180","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C32 H29 B Cl2 N2 O -","- C32 H29 B Cl2 N2 O -","- C128 H116 B4 Cl8 N8 O4 -","4","1","","Yuan, Kang; Wang, Xiang; Mellerup, Soren K.; Kozin, Igor; Wang, Suning","Spiro-BODIPYs with a Diaryl Chelate: Impact on Aggregation and Luminescence.","The Journal of organic chemistry","2017","82","24","13481","13487","10.1021/acs.joc.7b02602","","","0.71073","MoKα","","0.0785","0.0449","","","0.0952","0.1096","","","","","","1.077","","","","has coordinates","204809","2020-10-21","18:00:00",""
"4033225","8.6859","0.0002","15.3055","0.0003","15.4712","0.0003","90.457","0.001","96.07","0.001","99.711","0.001","2015.24","0.07","180","2","180","2","","","","","","","","4","P -1","-P 1","2","","","","- C25 H23 B N2 -","- C25 H23 B N2 -","- C100 H92 B4 N8 -","4","2","","Yuan, Kang; Wang, Xiang; Mellerup, Soren K.; Kozin, Igor; Wang, Suning","Spiro-BODIPYs with a Diaryl Chelate: Impact on Aggregation and Luminescence.","The Journal of organic chemistry","2017","82","24","13481","13487","10.1021/acs.joc.7b02602","","","0.71073","MoKα","","0.0573","0.0459","","","0.1164","0.1254","","","","","","1.047","","","","has coordinates","252331","2020-10-21","18:00:00",""
"4033226","10.4394","0.0005","11.3922","0.0005","19.9876","0.001","90","","96.249","0.001","90","","2362.96","0.19","180","2","180","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C31 H27 B N2 -","- C31 H27 B N2 -","- C124 H108 B4 N8 -","4","1","","Yuan, Kang; Wang, Xiang; Mellerup, Soren K.; Kozin, Igor; Wang, Suning","Spiro-BODIPYs with a Diaryl Chelate: Impact on Aggregation and Luminescence.","The Journal of organic chemistry","2017","82","24","13481","13487","10.1021/acs.joc.7b02602","","","0.71073","MoKα","","0.0569","0.0414","","","0.0919","0.1003","","","","","","1.048","","","","has coordinates","204809","2020-10-21","18:00:00",""
"4033227","11.4375","0.0003","13.0457","0.0003","21.164","0.0005","90","","102.68","0.001","90","","3080.87","0.13","100","2","100","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C31 H39 N3 O10 -","- C31 H39 N3 O10 -","- C124 H156 N12 O40 -","4","1","","Perkins, Jonathan C.; Wang, Xiye; Pike, Robert D.; Scheerer, Jonathan R.","Further Investigation of the Intermolecular Diels-Alder Cycloaddition for the Synthesis of Bicyclo[2.2.2]diazaoctane Alkaloids.","The Journal of organic chemistry","2017","82","24","13656","13662","10.1021/acs.joc.7b02403","","","1.54178","CuKα","","0.0537","0.05","","","0.1384","0.1425","","","","","","1.044","","","","has coordinates","204810","2020-10-21","18:00:00",""
"4033228","7.722","0.003","12.395","0.005","15.776","0.006","90","","89.933","0.006","90","","1510","1","100","2","100","2","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","","","- C19 H18 O6 -","- C19 H18 O6 -","- C76 H72 O24 -","4","1","","Liu, Lu; Xu, Guan-Ling; Ma, Xiao-Xia; Khan, Afsar; Tan, Wen-Hong; Yang, Zhu-Ya; Zhou, Zhi-Hong","Sweritranslactones A-C: Unusual Skeleton Secoiridoid Dimers via [4 + 2] Cycloaddition from Swertiamarin.","The Journal of organic chemistry","2017","82","24","13263","13267","10.1021/acs.joc.7b02383","","","0.71073","MoKα","","0.318","0.2296","","","0.558","0.5955","","","","","","2.114","","","","has coordinates","204800","2020-10-21","18:00:00",""
"4033229","7.8903","0.0001","15.974","0.0003","11.8637","0.0002","90","","100.05","0.001","90","","1472.35","0.04","100","2","100","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C19 H18 O6 -","- C19 H18 O6 -","- C76 H72 O24 -","4","1","","Liu, Lu; Xu, Guan-Ling; Ma, Xiao-Xia; Khan, Afsar; Tan, Wen-Hong; Yang, Zhu-Ya; Zhou, Zhi-Hong","Sweritranslactones A-C: Unusual Skeleton Secoiridoid Dimers via [4 + 2] Cycloaddition from Swertiamarin.","The Journal of organic chemistry","2017","82","24","13263","13267","10.1021/acs.joc.7b02383","","","1.54178","CuKα","","0.0373","0.0372","","","0.0935","0.0935","","","","","","1.098","","","","has coordinates","204800","2020-10-21","18:00:00",""
"4033230","7.2447","0.001","13.8888","0.0018","8.0725","0.0011","90","","101.937","0.002","90","","794.69","0.19","100","2","100","2","","","","","","","","3","P 1 n 1","P -2yac","7","","","","- C19 H20 O7 -","- C19 H20 O7 -","- C38 H40 O14 -","2","1","","Liu, Lu; Xu, Guan-Ling; Ma, Xiao-Xia; Khan, Afsar; Tan, Wen-Hong; Yang, Zhu-Ya; Zhou, Zhi-Hong","Sweritranslactones A-C: Unusual Skeleton Secoiridoid Dimers via [4 + 2] Cycloaddition from Swertiamarin.","The Journal of organic chemistry","2017","82","24","13263","13267","10.1021/acs.joc.7b02383","","","0.71073","MoKα","","0.0304","0.0293","","","0.0783","0.0794","","","","","","1.076","","","","has coordinates","204800","2020-10-21","18:00:00",""
"4033231","17.8938","0.0004","15.0422","0.0004","8.53393","0.00018","90","","90","","90","","2297.01","0.09","110","2","110","2","","","","","","","","4","P c c a","-P 2a 2ac","54","","","","- C27 H21 B S2 -","- C27 H21 B S2 -","- C108 H84 B4 S8 -","4","0.5","","Messersmith, Reid E.; Yadav, Sangeeta; Siegler, Maxime A.; Ottosson, Henrik; Tovar, John D.","Benzo[b]thiophene Fusion Enhances Local Borepin Aromaticity in Polycyclic Heteroaromatic Compounds.","The Journal of organic chemistry","2017","82","24","13440","13448","10.1021/acs.joc.7b02512","","","1.54178","CuKα","","0.0391","0.0337","","","0.09","0.0942","","","","","","1.048","","","","has coordinates","204802","2020-10-21","18:00:00",""
"4033232","22.1776","0.0007","22.1776","0.0007","7.4995","0.0003","90","","90","","120","","3194.42","0.19","110","2","110","2","","","","","","","","4","P -3","-P 3","147","","","","- C27 H21 B S2 -","- C27 H21 B S2 -","- C162 H126 B6 S12 -","6","1","","Messersmith, Reid E.; Yadav, Sangeeta; Siegler, Maxime A.; Ottosson, Henrik; Tovar, John D.","Benzo[b]thiophene Fusion Enhances Local Borepin Aromaticity in Polycyclic Heteroaromatic Compounds.","The Journal of organic chemistry","2017","82","24","13440","13448","10.1021/acs.joc.7b02512","","","0.71073","MoKα","","0.0559","0.0436","","","0.1085","0.1169","","","","","","1.045","","","","has coordinates","204802","2020-10-21","18:00:00",""
"4033233","8.4415","0.0003","15.246","0.0006","15.871","0.0006","95.385","0.002","95.271","0.002","96.377","0.002","2010.16","0.13","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C48 H34 N4 O5 S3 -","- C52 H34 N2 O4 S2 -","- C104 H68 N4 O8 S4 -","2","1","","Sankar, Elumalai; Raju, Potharaju; Karunakaran, Jayachandran; Mohanakrishnan, Arasambattu K.","Synthetic Utility of Arylmethylsulfones: Annulative π-Extension of Aromatics and Hetero-aromatics Involving Pd(0)-Catalyzed Heck Coupling Reactions.","The Journal of organic chemistry","2017","82","24","13583","13593","10.1021/acs.joc.7b01813","","","0.71073","MoKα","","0.1091","0.0554","","","0.1503","0.2201","","","","","","0.787","","","","has coordinates","204820","2020-10-21","18:00:00",""
"4033234","14.6299","0.0004","14.6404","0.0004","15.5052","0.0004","66.918","0.001","68.253","0.001","71.672","0.002","2781.53","0.13","296","2","296","2","","","","","","","","6","P -1","-P 1","2","","","","- C24 H19 Br N2 O9 S3 -","- C30 H25 Br N O4 S3 -","- C120 H100 Br4 N4 O16 S12 -","4","2","","Sankar, Elumalai; Raju, Potharaju; Karunakaran, Jayachandran; Mohanakrishnan, Arasambattu K.","Synthetic Utility of Arylmethylsulfones: Annulative π-Extension of Aromatics and Hetero-aromatics Involving Pd(0)-Catalyzed Heck Coupling Reactions.","The Journal of organic chemistry","2017","82","24","13583","13593","10.1021/acs.joc.7b01813","","","0.71073","MoKα","","0.1671","0.0491","","","0.124","0.1911","","","","","","0.983","","","","has coordinates","253039","2020-10-21","18:00:00",""
"4033235","21.191","0.015","32.62","0.02","19.973","0.014","90","","113.248","0.007","90","","12685","15","123","2","123","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C92 H111 N3 O19 -","- C92 H111 N3 O19 -","- C368 H444 N12 O76 -","4","1","","Shimoyama, Daisuke; Ikeda, Toshiaki; Sekiya, Ryo; Haino, Takeharu","Synthesis and Structure of Feet-to-Feet Connected Bisresorcinarenes.","The Journal of organic chemistry","2017","82","24","13220","13230","10.1021/acs.joc.7b02301","","x-ray","0.71073","MoKα","","0.1691","0.1341","","","0.3574","0.3784","","","","","","1.045","","","","has coordinates,has disorder","204797","2020-10-21","18:00:00",""
"4033236","16.813","0.004","21.414","0.005","22.481","0.005","65.245","0.003","75.329","0.003","88.64","0.003","7079","3","123","2","123","2","","","","","","","","4","P -1","-P 1","2","","","","- C120 H175 N7 O25 -","- C120.004 H175.009 N7.001 O25.001 -","- C240.008 H350.018 N14.002 O50.002 -","2","1","","Shimoyama, Daisuke; Ikeda, Toshiaki; Sekiya, Ryo; Haino, Takeharu","Synthesis and Structure of Feet-to-Feet Connected Bisresorcinarenes.","The Journal of organic chemistry","2017","82","24","13220","13230","10.1021/acs.joc.7b02301","","x-ray","0.71073","MoKα","","0.1976","0.1136","","","0.2829","0.3171","","","","","","1.07","","","","has coordinates,has disorder","204797","2020-10-21","18:00:00",""
"4033237","12.148","0.003","38.603","0.008","15.251","0.003","90","","108.773","0.003","90","","6771","3","123","2","123","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C138 H202 N10 O26 -","- C138 H202 N10 O26 -","- C276 H404 N20 O52 -","2","0.5","","Shimoyama, Daisuke; Ikeda, Toshiaki; Sekiya, Ryo; Haino, Takeharu","Synthesis and Structure of Feet-to-Feet Connected Bisresorcinarenes.","The Journal of organic chemistry","2017","82","24","13220","13230","10.1021/acs.joc.7b02301","","x-ray","0.71073","MoKα","","0.112","0.0823","","","0.2175","0.237","","","","","","1.069","","","","has coordinates","204797","2020-10-21","18:00:00",""
"4033238","16.597","0.003","42.559","0.007","19.786","0.003","90","","102.717","0.002","90","","13633","4","123","2","123","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C137 H213 N11 O27 -","- C137 H213 N11 O27 -","- C548 H852 N44 O108 -","4","1","","Shimoyama, Daisuke; Ikeda, Toshiaki; Sekiya, Ryo; Haino, Takeharu","Synthesis and Structure of Feet-to-Feet Connected Bisresorcinarenes.","The Journal of organic chemistry","2017","82","24","13220","13230","10.1021/acs.joc.7b02301","","x-ray","0.71073","MoKα","","0.1163","0.078","","","0.19","0.2101","","","","","","1.032","","","","has coordinates","259535","2020-12-04","06:05:01",""
"4033239","11.388","0.002","14.825","0.003","20.643","0.004","89.102","0.002","76.622","0.002","71.446","0.002","3208","1.1","123","2","123","2","","","","","","","","4","P -1","-P 1","2","","","","- C120 H136 O26 S8 -","- C120 H136 O26 S8 -","- C120 H136 O26 S8 -","1","0.5","","Shimoyama, Daisuke; Ikeda, Toshiaki; Sekiya, Ryo; Haino, Takeharu","Synthesis and Structure of Feet-to-Feet Connected Bisresorcinarenes.","The Journal of organic chemistry","2017","82","24","13220","13230","10.1021/acs.joc.7b02301","","x-ray","0.71073","MoKα","","0.1362","0.0996","","","0.2893","0.3194","","","","","","1.192","","","","has coordinates,has disorder","204797","2020-10-21","18:00:00",""
"4033240","9.4154","0.0008","12.766","0.0012","13.1363","0.0012","90","","90","","90","","1578.9","0.2","296","2","296","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C14 H21 N O2 S -","- C14 H21 N O2 S -","- C56 H84 N4 O8 S4 -","4","1","","Reddy, Arava Amaranadha; Prasad, Kavirayani R.","Synthesis of β-Amino Ketones by Addition of Aryl Methyl Ketones to Sulfinimines: Application to the Total Synthesis of HPA-12, Norsedamine, and Sedamine.","The Journal of organic chemistry","2017","82","24","13488","13499","10.1021/acs.joc.7b02611","","","0.71073","MoKα","","0.0475","0.0355","","","0.0818","0.087","","","","","","1.07","","","","has coordinates","204813","2020-10-21","18:00:00",""
"4033241","18.9318","0.0007","9.1249","0.0003","11.0844","0.0004","90","","93.622","0.003","90","","1911.01","0.12","150","0.1","150","0.1","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C24 H20 N2 O2 -","- C24 H20 N2 O2 -","- C96 H80 N8 O8 -","4","1","","Wang, Changcheng; Lai, Jialin; Chen, Cantao; Li, Xuechen; Cao, Hua","Ag-Catalyzed Tandem Three-Component Reaction toward the Synthesis of Multisubstituted Imidazoles.","The Journal of organic chemistry","2017","82","24","13740","13745","10.1021/acs.joc.7b02612","","x-ray","1.54184","CuKα","","0.1225","0.1189","","","0.3425","0.3437","","","","","","1.095","","","","has coordinates","204804","2020-10-21","18:00:00",""
"4033242","6.5977","0.0007","6.954","0.0007","13.0578","0.0013","82.254","0.008","84.013","0.008","63.46","0.01","530.42","0.1","100","2","100","2","","","","","","","","7","P 1","P 1","1","","","","- C18 H23 Cl F N O7 Si -","- C18 H23 Cl F N O7 Si -","- C18 H23 Cl F N O7 Si -","1","1","","De Schutter, Coralie; Sari, Ozkan; Coats, Steven J.; Amblard, Franck; Schinazi, Raymond F.","Synthesis of (2S)-2-Chloro-2-fluororibolactone via Stereoselective Electrophilic Fluorination.","The Journal of organic chemistry","2017","82","24","13171","13178","10.1021/acs.joc.7b02245","","x-ray","0.71073","MoKα","","0.0474","0.0429","","","0.1","0.1022","","","","","","1.075","","","","has coordinates","204799","2020-10-21","18:00:00",""
"4033243","6.097","0.0003","25.7082","0.0011","7.423","0.0003","90","","110.555","0.005","90","","1089.43","0.09","100","2","100","0.1","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C17 H35 Cl O4 Si2 -","- C17 H35 Cl O4 Si2 -","- C34 H70 Cl2 O8 Si4 -","2","1","","De Schutter, Coralie; Sari, Ozkan; Coats, Steven J.; Amblard, Franck; Schinazi, Raymond F.","Synthesis of (2S)-2-Chloro-2-fluororibolactone via Stereoselective Electrophilic Fluorination.","The Journal of organic chemistry","2017","82","24","13171","13178","10.1021/acs.joc.7b02245","","x-ray","0.71073","MoKα","","0.0436","0.0391","","","0.0953","0.0969","","","","","","1.016","","","","has coordinates","204799","2020-10-21","18:00:00",""
"4033244","10.3098","0.0006","19.1132","0.0009","19.3897","0.001","90","","99.389","0.002","90","","3769.6","0.3","100","2","100","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C20 H20 O5 S -","- C20 H20 O5 S -","- C160 H160 O40 S8 -","8","1","","Hsueh, Nai-Chen; Chen, Hsing-Yin; Chang, Meng-Yang","Construction of Sulfonyl Oxabenzo[3.3.1]bicyclic Core via Cyclocondensation of β-Ketosulfones and o-Formyl Allylbenzenes.","The Journal of organic chemistry","2017","82","24","13324","13332","10.1021/acs.joc.7b02425","","","0.71073","MoKα","","0.0446","0.0366","","","0.0833","0.0885","","","","","","1.052","","","","has coordinates","204801","2020-10-21","18:00:00",""
"4033245","10.3973","0.0005","11.4451","0.0005","18.3533","0.0009","90","","98.29","0.001","90","","2161.19","0.18","100","2","100","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C26 H24 O5 S -","- C26 H24 O5 S -","- C104 H96 O20 S4 -","4","1","","Hsueh, Nai-Chen; Chen, Hsing-Yin; Chang, Meng-Yang","Construction of Sulfonyl Oxabenzo[3.3.1]bicyclic Core via Cyclocondensation of β-Ketosulfones and o-Formyl Allylbenzenes.","The Journal of organic chemistry","2017","82","24","13324","13332","10.1021/acs.joc.7b02425","","","0.71073","MoKα","","0.0382","0.0335","","","0.0844","0.0879","","","","","","1.036","","","","has coordinates","204801","2020-10-21","18:00:00",""
"4033246","24.9437","0.0014","8.7955","0.0005","11.5489","0.0006","90","","94.461","0.002","90","","2526.1","0.2","100","2","100","2","","","","","","","","6","P 1 2/c 1","-P 2yc","13","","","","- C53 H48 Cl2 F2 O10 S2 -","- C53 H48 Cl2 F2 O10 S2 -","- C106 H96 Cl4 F4 O20 S4 -","2","0.5","","Hsueh, Nai-Chen; Chen, Hsing-Yin; Chang, Meng-Yang","Construction of Sulfonyl Oxabenzo[3.3.1]bicyclic Core via Cyclocondensation of β-Ketosulfones and o-Formyl Allylbenzenes.","The Journal of organic chemistry","2017","82","24","13324","13332","10.1021/acs.joc.7b02425","","","0.71073","MoKα","","0.0444","0.0382","","","0.1098","0.1185","","","","","","1.057","","","","has coordinates","204801","2020-10-21","18:00:00",""
"4033247","11.0102","0.0003","9.1251","0.0002","11.497","0.0003","90","","91.296","0.002","90","","1154.8","0.05","100","2","100","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C28 H28 O5 S -","- C28 H28 O5 S -","- C56 H56 O10 S2 -","2","1","","Hsueh, Nai-Chen; Chen, Hsing-Yin; Chang, Meng-Yang","Construction of Sulfonyl Oxabenzo[3.3.1]bicyclic Core via Cyclocondensation of β-Ketosulfones and o-Formyl Allylbenzenes.","The Journal of organic chemistry","2017","82","24","13324","13332","10.1021/acs.joc.7b02425","","","0.71073","MoKα","","0.0359","0.033","","","0.0717","0.076","","","","","","1.052","","","","has coordinates","204801","2020-10-21","18:00:00",""
"4033248","12.0995","0.0007","11.0442","0.0006","18.1654","0.001","90","","100.641","0.002","90","","2385.7","0.2","100","2","100","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C28 H28 O5 S -","- C28 H28 O5 S -","- C112 H112 O20 S4 -","4","1","","Hsueh, Nai-Chen; Chen, Hsing-Yin; Chang, Meng-Yang","Construction of Sulfonyl Oxabenzo[3.3.1]bicyclic Core via Cyclocondensation of β-Ketosulfones and o-Formyl Allylbenzenes.","The Journal of organic chemistry","2017","82","24","13324","13332","10.1021/acs.joc.7b02425","","","0.71073","MoKα","","0.0503","0.0396","","","0.0987","0.1051","","","","","","1.047","","","","has coordinates","204801","2020-10-21","18:00:00",""
"4033249","9.262","0.0005","29.1519","0.0015","10.0839","0.0005","90","","92.582","0.001","90","","2719.9","0.2","100","2","100","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C29 H30 Cl2 O5 S -","- C29 H30 Cl2 O5 S -","- C116 H120 Cl8 O20 S4 -","4","1","","Hsueh, Nai-Chen; Chen, Hsing-Yin; Chang, Meng-Yang","Construction of Sulfonyl Oxabenzo[3.3.1]bicyclic Core via Cyclocondensation of β-Ketosulfones and o-Formyl Allylbenzenes.","The Journal of organic chemistry","2017","82","24","13324","13332","10.1021/acs.joc.7b02425","","","0.71073","MoKα","","0.0446","0.0359","","","0.0845","0.0895","","","","","","1.028","","","","has coordinates","204801","2020-10-21","18:00:00",""
"4033250","21.8205","0.0014","11.6934","0.0006","22.0291","0.0015","90","","95.383","0.002","90","","5596.1","0.6","100","2","100","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C33 H30 O5 S -","- C33 H30 O5 S -","- C264 H240 O40 S8 -","8","1","","Hsueh, Nai-Chen; Chen, Hsing-Yin; Chang, Meng-Yang","Construction of Sulfonyl Oxabenzo[3.3.1]bicyclic Core via Cyclocondensation of β-Ketosulfones and o-Formyl Allylbenzenes.","The Journal of organic chemistry","2017","82","24","13324","13332","10.1021/acs.joc.7b02425","","","0.71073","MoKα","","0.0455","0.0382","","","0.1026","0.1083","","","","","","1.051","","","","has coordinates","204801","2020-10-21","18:00:00",""
"4033251","8.5498","0.0019","9.5122","0.0013","16.619","0.002","95.944","0.01","100.27","0.012","107.515","0.014","1250.3","0.4","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","","","- C25 H24 N2 O10 S -","- C25 H24 N2 O10 S -","- C50 H48 N4 O20 S2 -","2","1","","Gee, Yi Sing; Rivinoja, Daniel J.; Wales, Steven M.; Gardiner, Michael G.; Ryan, John H.; Hyland, Christopher J. T.","Pd-Catalyzed Dearomative [3 + 2] Cycloaddition of 3-Nitroindoles with 2-Vinylcyclopropane-1,1-dicarboxylates.","The Journal of organic chemistry","2017","82","24","13517","13529","10.1021/acs.joc.7b02624","","x-ray","1.54184","CuKα","","0.0635","0.0571","","","0.1576","0.1637","","","","","","1.0466","","","","has coordinates","204808","2020-10-21","18:00:00",""
"4033252","10.893","0.002","19.835","0.004","12.801","0.003","90","","96.8","0.03","90","","2746.4","1","100","2","100","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C26 H22 F6 N2 O8 S -","- C26 H22 F6 N2 O8 S -","- C104 H88 F24 N8 O32 S4 -","4","1","","Gee, Yi Sing; Rivinoja, Daniel J.; Wales, Steven M.; Gardiner, Michael G.; Ryan, John H.; Hyland, Christopher J. T.","Pd-Catalyzed Dearomative [3 + 2] Cycloaddition of 3-Nitroindoles with 2-Vinylcyclopropane-1,1-dicarboxylates.","The Journal of organic chemistry","2017","82","24","13517","13529","10.1021/acs.joc.7b02624","","x-ray","1.54178","CuKα","","0.0424","0.0351","","","0.0828","0.087","","","","","","1.0521","","","","has coordinates","204808","2020-10-21","18:00:00",""
"4033253","11.29659","0.00018","28.0997","0.0004","7.63435","0.0001","90","","96.334","0.0013","90","","2408.58","0.06","100","2","100","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C13 H12 N4 O2 -","- C13 H12 N4 O2 -","- C104 H96 N32 O16 -","8","2","","Orrego-Hernández, Jessica; Portilla, Jaime","Synthesis of Dicyanovinyl-Substituted 1-(2-Pyridyl)pyrazoles: Design of a Fluorescent Chemosensor for Selective Recognition of Cyanide.","The Journal of organic chemistry","2017","82","24","13376","13385","10.1021/acs.joc.7b02460","","","0.71073","MoKα","","0.049","0.0335","","","0.1128","0.1195","","","","","","0.947","","","","has coordinates","204816","2020-10-21","18:00:00",""
"4033254","13.7712","0.0014","7.5501","0.0008","17.8422","0.0019","90","","103.906","0.002","90","","1800.8","0.3","296","2","296","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C20 H17 Br F N O3 -","- C20 H17 Br F N O3 -","- C80 H68 Br4 F4 N4 O12 -","4","1","","Zhu, Yi; Mei, Haibo; Han, Jianlin; Soloshonok, Vadim A.; Zhou, Jie; Pan, Yi","Chemoselective SN2' Allylations of Detrifluoroacetylatively In Situ Generated 3-Fluoroindolin-2-one-Derived Tertiary Enolates with Morita-Baylis-Hillman Carbonates.","The Journal of organic chemistry","2017","82","24","13663","13670","10.1021/acs.joc.7b02409","","","0.71073","MoKα","","0.0483","0.0403","","","0.1092","0.1264","","","","","","1.096","","","","has coordinates","204793","2020-10-21","18:00:00",""
"4033255","13.0141","0.0008","13.0141","0.0008","40.507","0.003","90","","90","","90","","6860.5","0.8","200","2","200","2","","","","","","","","5","I 4 2 2","I 4 2","97","","","","- C60 H80 N4 O17 Rh2 -","- C60 H80 N4 O17 Rh2 -","- C240 H320 N16 O68 Rh8 -","4","0.25","","O'Brien, Jessica G K; Chintala, Srinivasa R.; Fox, Joseph M.","Stereoselective Synthesis of Bicyclo[6.1.0]nonene Precursors of the Bioorthogonal Reagents s-TCO and BCN.","The Journal of organic chemistry","2017","","","","","10.1021/acs.joc.7b02329","","","0.71073","MoKα","","0.0375","0.0364","","","0.1035","0.1055","","","","","","1.063","","","","has coordinates,has disorder","204025","2020-10-21","18:00:00",""
"4033256","6.8905","0.0004","22.4857","0.0012","16.6825","0.0008","90","","93.375","0.002","90","","2580.3","0.2","296","","296.15","","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C27 H25 Br N2 O4 S -","- C27 H25 Br N2 O4 S -","- C108 H100 Br4 N8 O16 S4 -","4","1","","Bao, Ming; Lu, Wei; Cai, Yanping; Qiu, Lihua; Xu, Xinfang","Gold(I)-Catalyzed Cyclization/Carbonylation Cascade Reaction of 1,6-Diynes: An Access to β,γ-Unsaturated Ketones.","The Journal of organic chemistry","2017","82","24","13386","13395","10.1021/acs.joc.7b02461","","","0.71073","MoKα","","0.1067","0.0761","","","0.1309","0.1411","","","","","","1.206","","","","has coordinates","204812","2020-10-21","18:00:00",""
"4033257","7.2655","0.0004","8.5522","0.0004","27.6699","0.0019","90","","96.753","0.006","90","","1707.37","0.17","273.15","","273.15","","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C18 H19 Br N O2 S -","- C18 H19 Br N O2 S -","- C72 H76 Br4 N4 O8 S4 -","4","1","","Bao, Ming; Lu, Wei; Cai, Yanping; Qiu, Lihua; Xu, Xinfang","Gold(I)-Catalyzed Cyclization/Carbonylation Cascade Reaction of 1,6-Diynes: An Access to β,γ-Unsaturated Ketones.","The Journal of organic chemistry","2017","82","24","13386","13395","10.1021/acs.joc.7b02461","","","0.71073","MoKα","","0.1126","0.0928","","","0.2483","0.2578","","","","","","1.135","","","","has coordinates","204812","2020-10-21","18:00:00",""
"4033258","11.307","0.003","18.799","0.005","10.72","0.003","90","","115.779","0.007","90","","2051.9","1","296","2","296","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C27 H21 N3 O -","- C27 H21 N3 O -","- C108 H84 N12 O4 -","4","1","","Xiang, Jia-Chen; Wang, Zi-Xuan; Cheng, Yan; Ma, Jin-Tian; Wang, Miao; Tang, Bo-Cheng; Wu, Yan-Dong; Wu, An-Xin","A C-H Oxidation/Two-Fold Cyclization Approach to Imidazopyridoindole Scaffold under Mild Oxidizing Conditions.","The Journal of organic chemistry","2017","82","24","13671","13677","10.1021/acs.joc.7b02448","","","0.71073","MoKα","","0.0972","0.054","","","0.1284","0.1546","","","","","","0.968","","","","has coordinates","204815","2020-10-21","18:00:00",""
"4033259","17.7803","0.0006","25.6504","0.0008","20.8183","0.0006","90","","92.2807","0.0011","90","","9487.1","0.5","131","2","130.99","","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C114 H120 I N2 O2 Yb -","- C114 H120 I N2 O2 Yb -","- C456 H480 I4 N8 O8 Yb4 -","4","1","","Wang, Weifan; Shen, Xingchao; Zhao, Fengyi; Jiang, Huan; Yao, Weiwei; Pullarkat, Sumod A.; Xu, Li; Ma, Mengtao","Ytterbium-Catalyzed Hydroboration of Aldehydes and Ketones.","The Journal of organic chemistry","2017","","","","","10.1021/acs.joc.7b02076","","","0.71073","MoKα","","0.0637","0.0378","","","0.0846","0.0946","","","","","","1.03","","","","has coordinates","204053","2020-10-21","18:00:00",""
"4033260","7.9922","0.0005","8.6781","0.0005","12.2571","0.0007","91.753","0.001","97.967","0.001","98.996","0.001","830.37","0.09","100","2","100","2","","","","","","","","4","P -1","-P 1","2","G02951040","gene334","","- C22 H22 N2 O -","- C22 H22 N2 O -","- C44 H44 N4 O2 -","2","1","","Chen, Anthony Y.; Lu, Qianqian; Fu, Yao; Sarpong, Richmond; Stoltz, Brian M.; Zhang, Haiming","Isocanthine Synthesis via Rh(III)-Catalyzed Intramolecular C─H Functionalization.","The Journal of organic chemistry","2017","","","","","10.1021/acs.joc.7b02731","","","0.71073","MoKα","","0.0542","0.0399","","","0.0969","0.1094","","","","","","1.053","","","","has coordinates","204086","2020-10-21","18:00:00",""
"4033261","7.7348","0.0017","11.031","0.002","18.97","0.004","90","","99.071","0.007","90","","1598.3","0.6","293","2","296.15","","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C17 H16 O7 -","- C17 H16 O7 -","- C68 H64 O28 -","4","1","","Bisht, Shweta; Rani, Rashmi; Peddinti, Rama Krishna","Regioselective Synthesis of Bicyclic and Polycyclic Systems by Cycloaddition Reactions of Alkenyl p-Benzoquinones","The Journal of Organic Chemistry","2017","","","","","10.1021/acs.joc.7b02377","","","0.71073","MoKα","","0.2126","0.1334","","","0.375","0.4194","","","","","","1.316","","","","has coordinates","211196","2020-10-21","18:00:00",""
"4033262","8.756","0.002","8.879","0.002","9.397","0.002","84.18","0.004","73.556","0.004","74.346","0.004","674.4","0.3","293","2","293","2","","","","","","","","3","P -1","-P 1","2","","","","- C16 H14 O6 -","- C16 H14 O6 -","- C32 H28 O12 -","2","1","","Bisht, Shweta; Rani, Rashmi; Peddinti, Rama Krishna","Regioselective Synthesis of Bicyclic and Polycyclic Systems by Cycloaddition Reactions of Alkenyl p-Benzoquinones","The Journal of Organic Chemistry","2017","","","","","10.1021/acs.joc.7b02377","","","0.71073","MoKα","","0.0674","0.0547","","","0.1347","0.144","","","","","","1.037","","","","has coordinates","204088","2020-10-21","18:00:00",""
"4033263","10.377","0.005","22.737","0.005","8.394","0.005","90","0.005","103.551","0.005","90","0.005","1925.4","1.5","293","2","293","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C20 H26 O8 -","- C20 H26 O8 -","- C80 H104 O32 -","4","1","","Bisht, Shweta; Rani, Rashmi; Peddinti, Rama Krishna","Regioselective Synthesis of Bicyclic and Polycyclic Systems by Cycloaddition Reactions of Alkenyl p-Benzoquinones","The Journal of Organic Chemistry","2017","","","","","10.1021/acs.joc.7b02377","","","0.71073","MoKα","","0.1162","0.0588","","","0.166","0.2172","","","","","","1.263","","","","has coordinates","211196","2020-10-21","18:00:00",""
"4033264","33.7382","0.0008","26.6877","0.0008","4.17233","0.00011","90","","90","","90","","3756.74","0.17","117","","117","","","","","","","","","4","F d d 2","F 2 -2d","43","","","","- C8 H7 I O4 -","- C8 H7 I O4 -","- C128 H112 I16 O64 -","16","1","","Dieckmann, Michael Christian; Dakas, Pierre-Yves; De Mesmaeker, Alain","Synthetic access to non-canonical strigolactones - Syntheses of carlactonic acid and methyl carlactonoate.","The Journal of organic chemistry","2017","","","","","10.1021/acs.joc.7b02465","","","1.54184","CuKα","","0.0685","0.068","","0.1608","0.1599","0.1608","","","","","","0.9423","","","","has coordinates","204090","2020-10-21","18:00:00",""
"4033265","4.2649","0.0018","27.927","0.007","9.166","0.002","90","","100.79","0.03","90","","1072.4","0.6","117","","117","","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C9 H9 I O5 -","- C9 H9 I O5 -","- C36 H36 I4 O20 -","4","1","","Dieckmann, Michael Christian; Dakas, Pierre-Yves; De Mesmaeker, Alain","Synthetic access to non-canonical strigolactones - Syntheses of carlactonic acid and methyl carlactonoate.","The Journal of organic chemistry","2017","","","","","10.1021/acs.joc.7b02465","","","1.54184","CuKα","","0.0881","0.0742","","0.1463","0.1409","0.1463","","","","","","1.0978","","","","has coordinates","204091","2020-10-21","18:00:00",""
"4033266","11.1961","0.0006","6.5619","0.0003","12.9957","0.0008","90","","100.474","0.002","90","","938.86","0.09","100","2","100","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C22 H25 N O3 -","- C22 H25 N O3 -","- C44 H50 N2 O6 -","2","1","","Periasamy, Mariappan; Mohan, Lakavathu; Satyanarayana, Iddum; Reddy, Polimera Obula","Enantioselective Synthesis of β-Allenoates via Phosphine Catalysed and ZnI2 Promoted Preparation of Oxozolidines and Propargylamines using Chiral Amines, 1-Alkynes and Propiolates.","The Journal of organic chemistry","2017","","","","","10.1021/acs.joc.7b02632","","","0.71073","MoKα","","0.0469","0.0377","","","0.0804","0.0838","","","","","","1.108","","","","has coordinates","204092","2020-10-21","18:00:00",""
"4033267","27.273","0.011","8.882","0.004","23.383","0.015","90","","124.068","0.007","90","","4692","4","296","2","296","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C56 H50 N2 O6 S2 -","- C56 H50 N2 O6 S2 -","- C224 H200 N8 O24 S8 -","4","0.5","","Yu, Ruixia; Li, Dejun; Zeng, Fanlong","Palladium-Catalyzed Sequential Vinylic C-H Arylation/Amination of 2-Vinylanilines with Aryl boronic Acids: Access to 2-Arylindoles.","The Journal of organic chemistry","2017","","","","","10.1021/acs.joc.7b02728","","","0.71073","MoKα","","0.0835","0.0503","","","0.123","0.1411","","","","","","1","","","","has coordinates","204093","2020-10-21","18:00:00",""
"4033268","18.4527","0.0008","14.5187","0.0008","7.1119","0.0003","90","","90","","90","","1905.34","0.16","100","2","100","2","","","","","","","","4","P c a 21","P 2c -2ac","29","","","","- C17 H18 N6 O4 -","- C17 H18 N6 O4 -","- C68 H72 N24 O16 -","4","1","","Pancholi, Alpa K.; Iacobini, Gregory P.; Clarkson, Guy J.; Porter, David W.; Shipman, Michael","Synthesis of 4,5-diazaspiro[2.3]hexanes and 1,2-diazaspiro[3.3]heptanes as hexahydropyridazine analogues.","The Journal of organic chemistry","2017","","","","","10.1021/acs.joc.7b02622","","","1.54178","CuKα","","0.043","0.0405","","","0.0955","0.0977","","","","","","1.063","","","","has coordinates,has disorder","204163","2020-10-21","18:00:00",""
"4033269","27.8891","0.0004","11.56007","0.00017","11.29536","0.00018","90","","96.1043","0.0013","90","","3620.98","0.09","150","2","150","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C14 H22 Cl2 N2 O4 -","- C14 H22 Cl2 N2 O4 -","- C112 H176 Cl16 N16 O32 -","8","1","","Pancholi, Alpa K.; Iacobini, Gregory P.; Clarkson, Guy J.; Porter, David W.; Shipman, Michael","Synthesis of 4,5-diazaspiro[2.3]hexanes and 1,2-diazaspiro[3.3]heptanes as hexahydropyridazine analogues.","The Journal of organic chemistry","2017","","","","","10.1021/acs.joc.7b02622","","x-ray","1.54184","CuKα","","0.0432","0.0414","","","0.1178","0.12","","","","","","1.073","","","","has coordinates","204164","2020-10-21","18:00:00",""
"4033270","12.60521","0.00006","10.85069","0.00004","13.53848","0.00007","90","","102.191","0.0005","90","","1809.97","0.015","150","2","150","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C15 H22 Cl2 N2 O5 -","- C15 H22 Cl2 N2 O5 -","- C60 H88 Cl8 N8 O20 -","4","1","","Pancholi, Alpa K.; Iacobini, Gregory P.; Clarkson, Guy J.; Porter, David W.; Shipman, Michael","Synthesis of 4,5-diazaspiro[2.3]hexanes and 1,2-diazaspiro[3.3]heptanes as hexahydropyridazine analogues.","The Journal of organic chemistry","2017","","","","","10.1021/acs.joc.7b02622","","x-ray","1.54184","CuKα","","0.0298","0.0296","","","0.0823","0.0824","","","","","","1.063","","","","has coordinates","204165","2020-10-21","18:00:00",""
"4033271","14.02756","0.0001","5.73781","0.00004","21.00103","0.00012","90","","102.12","0.0007","90","","1652.64","0.019","150","2","150","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C14 H22 F2 N2 O4 -","- C14 H22 F2 N2 O4 -","- C56 H88 F8 N8 O16 -","4","1","","Pancholi, Alpa K.; Iacobini, Gregory P.; Clarkson, Guy J.; Porter, David W.; Shipman, Michael","Synthesis of 4,5-diazaspiro[2.3]hexanes and 1,2-diazaspiro[3.3]heptanes as hexahydropyridazine analogues.","The Journal of organic chemistry","2017","","","","","10.1021/acs.joc.7b02622","","x-ray","1.54184","CuKα","","0.038","0.0378","","","0.0967","0.0968","","","","","","1.135","","","","has coordinates","204166","2020-10-21","18:00:00",""
"4033272","14.315","0.005","14.891","0.005","11.713","0.003","90","","101.631","0.007","90","","2445.5","1.3","296","2","296","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C28 H25 N3 O3 -","- C28 H25 N3 O3 -","- C112 H100 N12 O12 -","4","1","","Singh, Karandeep; Malviya, Bhanwar Kumar; Roy, Tapta Kanchan; Mithu, Venus Singh; Bhardwaj, Vimal K.; Verma, Ved Prakash; Chimni, Swapandeep Singh; Sharma, Siddharth","Catalyst-Controlled Structural Divergence: Selective Intramolecular 7-endo-dig and 6-exo-dig Post-Ugi Cyclization for the Synthesis of Benzoxazepinones and Benzoxazinones.","The Journal of organic chemistry","2017","","","","","10.1021/acs.joc.7b02123","","","0.71073","MoKα","","0.0701","0.0479","","","0.1333","0.1516","","","","","","0.953","","","","has coordinates","276351","2022-06-28","16:38:26",""
"4033273","22.0109","0.0008","9.054","0.0003","26.4648","0.001","90","","97.775","0.002","90","","5225.6","0.3","296","","296","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C29 H30 N2 O5 -","- C29 H30 N2 O5 -","- C232 H240 N16 O40 -","8","2","","Singh, Karandeep; Malviya, Bhanwar Kumar; Roy, Tapta Kanchan; Mithu, Venus Singh; Bhardwaj, Vimal K.; Verma, Ved Prakash; Chimni, Swapandeep Singh; Sharma, Siddharth","Catalyst-Controlled Structural Divergence: Selective Intramolecular 7-endo-dig and 6-exo-dig Post-Ugi Cyclization for the Synthesis of Benzoxazepinones and Benzoxazinones.","The Journal of organic chemistry","2017","","","","","10.1021/acs.joc.7b02123","","","0.71073","MoKα","","0.2507","0.0899","","","0.1968","0.2581","","","","","","1.015","","","","has coordinates","254835","2020-10-21","18:00:00",""
"4033274","7.6666","0.00001","11.5376","0.00011","14.24527","0.00016","90","","90","","90","","1260.05","0.019","293","2","293","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","(R) N-methyl-3-(4-cyanophenoxy)piperidine","4-((1-methylpiperidin-3-yl)oxy)benzonitrile","","- C13 H16 N2 O -","- C13 H16 N2 O -","- C52 H64 N8 O4 -","4","1","","Aricò, Fabio; Aldoshin, Alexander S.; Musolino, Manuele; Crisma, Marco; Tundo, Pietro","β-Aminocarbonates in regioselective and ring expansion reactions.","The Journal of organic chemistry","2017","","","","","10.1021/acs.joc.7b02609","","","1.54178","CuKα","","0.0369","0.0362","","","0.1047","0.1061","","","","","","1.001","","","","has coordinates","204197","2020-10-21","18:00:00",""
"4033277","8.2569","0.0003","9.8339","0.00016","37.9262","0.0011","90","","90","","90","","3079.51","0.15","109.2","","109.2","","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C32 H44 O9 -","- C32 H44 O9 -","- C128 H176 O36 -","4","1","","Mai, Zhen-Peng; Ni, Gang; Liu, Yan-Fei; Li, Yu-Huan; Li, Li; Li, Jia-Yuan; Yu, De-Quan","Secoheliosphanes A and B and secoheliospholane A, three diterpenoids with unusual seco-jatrophane and seco-jatropholane skeletons from Euphorbia helioscopia.","The Journal of organic chemistry","2017","","","","","10.1021/acs.joc.7b02558","","","1.5418","CuKα","","0.0478","0.045","","","0.1213","0.1244","","","","","","1.056","","","","has coordinates","204223","2020-10-21","18:00:00",""
"4033278","8.37266","0.00019","12.3721","0.0003","28.5539","0.0007","90","","90","","90","","2957.82","0.12","103.5","","103.5","","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C31 H40 O10 -","- C31 H40 O10 -","- C124 H160 O40 -","4","1","","Mai, Zhen-Peng; Ni, Gang; Liu, Yan-Fei; Li, Yu-Huan; Li, Li; Li, Jia-Yuan; Yu, De-Quan","Secoheliosphanes A and B and secoheliospholane A, three diterpenoids with unusual seco-jatrophane and seco-jatropholane skeletons from Euphorbia helioscopia.","The Journal of organic chemistry","2017","","","","","10.1021/acs.joc.7b02558","","","1.5418","CuKα","","0.0405","0.0378","","","0.0918","0.0944","","","","","","1.027","","","","has coordinates","204224","2020-10-21","18:00:00",""
"4033279","19.8182","0.0011","5.9878","0.0003","36.1268","0.0017","90","","96.953","0.004","90","","4255.5","0.4","100","","100","","","","","","","","","3","C 1 2/c 1","-C 2yc","15","","","","- C27 H32 O -","- C27 H32 O -","- C216 H256 O8 -","8","1","","Fraser, Craig; Young, Rowan D.","A stable carbocation generated via 2,5-cyclohexadien-1-one protonation.","The Journal of organic chemistry","2017","","","","","10.1021/acs.joc.7b02668","","","1.54178","CuKα","","0.0905","0.0557","","0.1333","0.12","0.1333","","","","","","1.0052","","","","has coordinates","204265","2020-10-21","18:00:00",""
"4033280","13.181","0.003","13.877","0.003","16.365","0.004","101.985","0.007","96.122","0.007","90.289","0.008","2910.3","1.2","100","","100","","","","","","","","","6","P -1","-P 1","2","","","","- C60 H45 B Cl2 F24 O -","- C60 H45 B Cl2 F24 O -","- C120 H90 B2 Cl4 F48 O2 -","2","1","","Fraser, Craig; Young, Rowan D.","A stable carbocation generated via 2,5-cyclohexadien-1-one protonation.","The Journal of organic chemistry","2017","","","","","10.1021/acs.joc.7b02668","","","0.71073","MoKα","","0.098","0.0543","","0.1388","0.1175","0.1388","","","","","","0.9414","","","","has coordinates","204265","2020-10-21","18:00:00",""
"4033281","9.7072","0.0015","9.9398","0.0016","18.474","0.003","79.874","0.005","83.488","0.005","61.399","0.004","1539.7","0.4","293","","293","","","","","","","","","5","P -1","-P 1","2","","","","- C29 H32 F6 O7 S2 -","- C29 H32 F6 O7 S2 -","- C58 H64 F12 O14 S4 -","2","1","","Fraser, Craig; Young, Rowan D.","A stable carbocation generated via 2,5-cyclohexadien-1-one protonation.","The Journal of organic chemistry","2017","","","","","10.1021/acs.joc.7b02668","","","0.71073","MoKα","","0.1399","0.0663","","0.13","0.1086","0.1299","","","","","","0.9972","","","","has coordinates","204265","2020-10-21","18:00:00",""
"4033282","15.6496","0.0001","15.6496","0.0001","28.7595","0.0003","90","","90","","120","","6099.84","0.08","294","2","294.15","","","","","","","","","4","P 65","P 65","170","","","","- C39 H43 N O4 -","- C39 H43 N O4 -","- C234 H258 N6 O24 -","6","1","","Zhang, Zhi-Pei; Xie, Kai-Xue; Yang, Chen; Li, Man; Li, Xin","Asymmetric Synthesis of Dihydrocoumarins through Chiral Phosphoric Acid Catalyzed Cycloannulation of para-Quinone Methides and Azlactones.","The Journal of organic chemistry","2017","","","","","10.1021/acs.joc.7b02750","","x-ray","1.54184","CuKα","","0.0572","0.0542","","","0.1594","0.1636","","","","","","1.083","","","","has coordinates,has disorder","204297","2020-10-21","18:00:00",""
"4033283","6.4362","0.0002","10.8331","0.0004","11.9492","0.0004","99.468","0.003","94.704","0.003","92.002","0.003","818.03","0.05","150","1","150","1","","","","","","","","4","P -1","-P 1","2","","","","- C20 H22 N2 O2 -","- C20 H22 N2 O2 -","- C40 H44 N4 O4 -","2","1","","Coomber, Charlotte E.; Benhamou, Laure; Bučar, Dejan-Krešimir; Smith, Peter D.; Porter, Michael J.; Sheppard, Tom David","Silver-Free Palladium Catalyzed C(sp3)-H Arylation of Saturated Bicyclic Amine Scaffolds.","The Journal of organic chemistry","2017","","","","","10.1021/acs.joc.7b02665","","x-ray","1.54184","CuKα","","0.0379","0.0366","","","0.0975","0.0986","","","","","","1.056","","","","has coordinates","204367","2020-10-21","18:00:00",""
"4033284","11.4358","0.0001","13.4434","0.0002","14.1728","0.0001","92.76","0.001","105.302","0.001","112.175","0.001","1919.36","0.04","150","1","150","1","","","","","","","","7","P 1","P 1","1","","","","- C36 H37 Cl6 N2 O P Pd -","- C36 H37 Cl6 N2 O P Pd -","- C72 H74 Cl12 N4 O2 P2 Pd2 -","2","2","","Coomber, Charlotte E.; Benhamou, Laure; Bučar, Dejan-Krešimir; Smith, Peter D.; Porter, Michael J.; Sheppard, Tom David","Silver-Free Palladium Catalyzed C(sp3)-H Arylation of Saturated Bicyclic Amine Scaffolds.","The Journal of organic chemistry","2017","","","","","10.1021/acs.joc.7b02665","","x-ray","1.54184","CuKα","","0.052","0.0513","","","0.138","0.1394","","","","","","1.037","","","","has coordinates,has disorder","204368","2020-10-21","18:00:00",""
"4033285","11.3094","0.0001","10.5306","0.0001","17.0804","0.0002","90","","104.561","0.001","90","","1968.85","0.04","150","1","150","1","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C23 H28 N2 O2 -","- C23 H28 N2 O2 -","- C92 H112 N8 O8 -","4","2","","Coomber, Charlotte E.; Benhamou, Laure; Bučar, Dejan-Krešimir; Smith, Peter D.; Porter, Michael J.; Sheppard, Tom David","Silver-Free Palladium Catalyzed C(sp3)-H Arylation of Saturated Bicyclic Amine Scaffolds.","The Journal of organic chemistry","2017","","","","","10.1021/acs.joc.7b02665","","x-ray","1.54184","CuKα","","0.0453","0.0411","","","0.1109","0.1141","","","","","","0.989","","","","has coordinates","204369","2020-10-21","18:00:00",""
"4033286","9.9842","0.0003","12.356","0.0004","28.8578","0.0009","90","","90","","90","","3560.04","0.19","273","2","273","2","","","","","","","","3","P b c a","-P 2ac 2ab","61","","","","- C21 H20 O5 -","- C21 H20 O5 -","- C168 H160 O40 -","8","1","","Feng, Manli; Yang, Pengfei; Yang, Gaosheng; Chen, Wenlong; Chai, Zhuo","FeCl3-Promoted [3 + 2] Annulations of γ-Butyrolactone Fused Cyclopropanes with Heterocumulenes.","The Journal of organic chemistry","2017","","","","","10.1021/acs.joc.7b02561","","","1.54178","CuKα","","0.0777","0.0697","","","0.1513","0.1572","","","","","","1.202","","","","has coordinates","204370","2020-10-21","18:00:00",""
"4033287","13.8774","0.0016","14.2945","0.0017","14.3692","0.0017","103.262","0.001","111.374","0.001","97.458","0.001","2511","0.5","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C27 H22 N2 O6 S -","- C27 H22 N2 O6 S -","- C108 H88 N8 O24 S4 -","4","2","","Feng, Manli; Yang, Pengfei; Yang, Gaosheng; Chen, Wenlong; Chai, Zhuo","FeCl3-Promoted [3 + 2] Annulations of γ-Butyrolactone Fused Cyclopropanes with Heterocumulenes.","The Journal of organic chemistry","2017","","","","","10.1021/acs.joc.7b02561","","","0.71073","MoKα","","0.0556","0.0444","","","0.1235","0.1355","","","","","","0.969","","","","has coordinates","204370","2020-10-21","18:00:00",""
"4033288","9.486","0.009","10.99","0.01","23.98","0.02","90","","96.153","0.011","90","","2486","4","293","2","293","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C27 H32 N2 O4 -","- C27 H32 N2 O4 -","- C108 H128 N8 O16 -","4","1","","Feng, Manli; Yang, Pengfei; Yang, Gaosheng; Chen, Wenlong; Chai, Zhuo","FeCl3-Promoted [3 + 2] Annulations of γ-Butyrolactone Fused Cyclopropanes with Heterocumulenes.","The Journal of organic chemistry","2017","","","","","10.1021/acs.joc.7b02561","","","0.71073","MoKα","","0.0923","0.0676","","","0.2131","0.2381","","","","","","0.938","","","","has coordinates","204370","2020-10-21","18:00:00",""
"4033289","9.1273","0.0004","9.0984","0.0003","13.1203","0.0005","90","","109.613","0.002","90","","1026.35","0.07","100","1","100","1","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C10 H15 N O3 -","- C10 H15 N O3 -","- C40 H60 N4 O12 -","4","1","","Chang, Zong; Boyaud, France; Guillot, Régis; Boddaert, Thomas; Aitken, David J.","A Photochemical Route to 3- and 4-Hydroxy Derivatives of 2-Aminocyclobutane-1-carboxylic Acid with an all-cis Geometry.","The Journal of organic chemistry","2017","","","","","10.1021/acs.joc.7b02559","","","0.71073","MoKα","","0.0497","0.0396","","","0.1065","0.1147","","","","","","1.072","","","","has coordinates","204424","2020-10-21","18:00:00",""
"4033290","36.124","0.012","9.409","0.003","14.68","0.004","90","","93.39","0.008","90","","4981","3","100","1","100","1","","","","","","","","4","C 1 2 1","C 2y","5","","","","- C88 H134 N12 O25 -","- C88 H134 N12 O25 -","- C176 H268 N24 O50 -","2","0.5","","Chang, Zong; Boyaud, France; Guillot, Régis; Boddaert, Thomas; Aitken, David J.","A Photochemical Route to 3- and 4-Hydroxy Derivatives of 2-Aminocyclobutane-1-carboxylic Acid with an all-cis Geometry.","The Journal of organic chemistry","2017","","","","","10.1021/acs.joc.7b02559","","x-ray","0.71073","MoKα","","0.2605","0.0727","","","0.118","0.164","","","","","","0.929","","","","has coordinates","204424","2020-10-21","18:00:00",""
"4033291","10.2216","0.0005","19.0596","0.0008","14.1017","0.0006","90","","111.156","0.002","90","","2562.1","0.2","100","1","100","1","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C47 H64 Cl3 N4 O12 -","- C47 H64 Cl3 N4 O12 -","- C94 H128 Cl6 N8 O24 -","2","1","","Chang, Zong; Boyaud, France; Guillot, Régis; Boddaert, Thomas; Aitken, David J.","A Photochemical Route to 3- and 4-Hydroxy Derivatives of 2-Aminocyclobutane-1-carboxylic Acid with an all-cis Geometry.","The Journal of organic chemistry","2017","","","","","10.1021/acs.joc.7b02559","","","1.54178","CuKα","","0.0918","0.0832","","","0.2164","0.2247","","","","","","1.025","","","","has coordinates,has disorder","204424","2020-10-21","18:00:00",""
"4033292","8.5396","0.0003","22.9076","0.0009","10.1423","0.0004","90","","110.364","0.001","90","","1860.05","0.12","100","","100","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C20.5 H26 F3.85 O2 -","- C21 H26 F4 O2 -","- C84 H104 F16 O8 -","4","1","","Thaharn, Watcharaporn; Soorukram, Darunee; Kuhakarn, Chutima; Reutrakul, Vichai; Pohmakotr, Manat","Synthesis of C2-Symmetric gem-Difluoromethylenated Angular Triquinanes.","The Journal of organic chemistry","2017","","","","","10.1021/acs.joc.7b02777","","x-ray","1.54178","CuKα","K-L~3~","0.0404","0.0398","","","0.0958","0.0962","","","","","","1.062","","","","has coordinates,has disorder","204495","2020-10-21","18:00:00",""
"4033293","5.04","0.004","15.346","0.012","20.856","0.016","90","","90","","90","","1613","2","296","2","296","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C19 H19 N O5 -","- C19 H19 N O5 -","- C76 H76 N4 O20 -","4","1","","Markad, Shivaji B.; Argade, Narshinha P.","Solid State Auto Inversion of C-Centrochirality: Enantioselective Total Synthesis of Furocarbazolones (-)-epi-Claulansine D and (-)-Claulansine D and, Pyranocarbazolone (+)-epi-Claulansine C.","The Journal of organic chemistry","2017","","","","","10.1021/acs.joc.7b02773","","","0.71073","MoKα","","0.3228","0.1026","","","0.1577","0.2271","","","","","","0.932","","","","has coordinates","204496","2020-10-21","18:00:00",""
"4033294","8.026","0.002","15.032","0.004","15.483","0.004","118.732","0.006","95.617","0.007","91.557","0.006","1624.2","0.7","100","2","100","2","","","","","","","","4","P -1","-P 1","2","","","","- C20 H19 N O5 -","- C19 H19 N O5 -","- C76 H76 N4 O20 -","4","2","","Markad, Shivaji B.; Argade, Narshinha P.","Solid State Auto Inversion of C-Centrochirality: Enantioselective Total Synthesis of Furocarbazolones (-)-epi-Claulansine D and (-)-Claulansine D and, Pyranocarbazolone (+)-epi-Claulansine C.","The Journal of organic chemistry","2017","","","","","10.1021/acs.joc.7b02773","","","0.71073","MoKα","","0.129","0.1151","","","0.3309","0.3411","","","","","","1.158","","","","has coordinates","258458","2020-10-21","18:00:00",""
"4033295","14.4718","0.0007","10.0431","0.0002","23.5998","0.0012","90","","104.043","0.005","90","","3327.5","0.3","293","2","293","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C19 H14 N2 O2 S -","- C19 H14 N2 O2 S -","- C152 H112 N16 O16 S8 -","8","2","","Guo, Yu-Jing; Lu, Shuai; Tian, Lu-Lu; Huang, En-Ling; Hao, Xin-Qi; Zhu, Xinju; Shao, Tian; Song, Mao-Ping","Iodine-Mediated Difunctionalization of Imidazopyridines with Sodium Sulfinates: Synthesis of Sulfones and Sulfides.","The Journal of organic chemistry","2017","","","","","10.1021/acs.joc.7b02734","","x-ray","1.54184","CuKα","","0.0654","0.051","","","0.1367","0.1519","","","","","","1.021","","","","has coordinates","204548","2020-10-21","18:00:00",""
"4033296","8.2076","0.0009","21.487","0.002","11.6395","0.0013","90","","90.207","0.004","90","","2052.7","0.4","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C22 H21 Cl O5 S -","- C22 H21 Cl O5 S -","- C88 H84 Cl4 O20 S4 -","4","1","","Thangamani, Murugesan; Kannupal, Srinivasan","Lewis Acid-Mediated Ring-Opening Reactions of trans-2-Aroyl-3-styryl-cyclopropane-1,1-dicarboxylates: Access to Cyclopentenes and E,E-1,3-Dienes.","The Journal of organic chemistry","2017","","","","","10.1021/acs.joc.7b02335","","","0.71073","MoKα","","0.1117","0.0786","","","0.2347","0.2584","","","","","","1.052","","","","has coordinates,has disorder","204572","2020-10-21","18:00:00",""
"4033297","17.832","0.002","11.4226","0.0013","22.574","0.003","90","","100.618","0.004","90","","4519.3","0.9","297","2","297.21","","","","","","","","","4","C 1 c 1","C -2yc","9","","","","- C47 H43 N2 O14 -","- C47 H43 N2 O14 -","- C188 H172 N8 O56 -","4","1","","Thangamani, Murugesan; Kannupal, Srinivasan","Lewis Acid-Mediated Ring-Opening Reactions of trans-2-Aroyl-3-styryl-cyclopropane-1,1-dicarboxylates: Access to Cyclopentenes and E,E-1,3-Dienes.","The Journal of organic chemistry","2017","","","","","10.1021/acs.joc.7b02335","","","0.71073","MoKα","","0.1508","0.0888","","","0.2426","0.2842","","","","","","1.018","","","","has coordinates,has disorder","204573","2020-10-21","18:00:00",""
"4033298","35.3009","0.0009","6.1173","0.0001","17.1933","0.0004","90","","118.139","0.001","90","","3273.99","0.13","296","2","296","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C15 H16 N2 O3 S2 -","- C15 H16 N2 O3 S2 -","- C120 H128 N16 O24 S16 -","8","1","","Chen, Yongtao; Wang, Shuaifeng; Jiang, Qianwen; Cheng, Cungui; Xiao, Xiaohui; Zhu, Gangguo","Palladium-Catalyzed Site-Selective sp3 C-H Bond Thiocyanation of 2-Aminofurans.","The Journal of organic chemistry","2017","","","","","10.1021/acs.joc.7b02700","","","0.71073","MoKα","","","0.0594","","","0.1387","0.1695","","","","","","1.093","","","","has coordinates","204607","2020-10-21","18:00:00",""
"4033299","12.3768","0.0002","8.25551","0.00015","30.2129","0.0006","90","","98.416","0.007","90","","3053.81","0.11","123","","123","","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C41 H40 N2 -","- C41 H40 N2 -","- C164 H160 N8 -","4","1","","Tateno, Kotaro; Ogawa, Rie; Sakamoto, Ryota; Tsuchiya, Mizuho; Kutsumura, Noriki; Otani, Takashi; Ono, Kosuke; Kawai, Hidetoshi; Saito, Takao","Dibenzopyrrolo[1,2-a][1,8]naphthyridines: Synthesis and Structural Modification of Fluorescent L-Shaped Heteroarenes.","The Journal of organic chemistry","2017","","","","","10.1021/acs.joc.7b02674","","","1.54187","CuKα","","0.1035","0.0647","","","0.1554","0.1735","","","","","","1.054","","","","has coordinates","204608","2020-10-21","18:00:00",""
"4033300","17.8601","0.0017","24.785","0.003","9.4639","0.0009","90","","90","","90","","4189.3","0.8","296","2","296","2","","","","","","","","6","I b a 2","I 2 -2c","45","","","","- C20 H27 N O3 S Si -","- C20 H27 N O3 S Si -","- C160 H216 N8 O24 S8 Si8 -","8","1","","Wu, Weiming; Chen, Tianyu; Chen, Junjie; Han, Xiuling","Cationic Palladium(II)-Catalyzed Reductive Cyclization of Alkynyl Cyclohexadienones.","The Journal of organic chemistry","2017","","","","","10.1021/acs.joc.7b02641","","","0.71073","MoKα","","0.035","0.03","","","0.0791","0.084","","","","","","1.047","","","","has coordinates","204610","2020-10-21","18:00:00",""
"4033301","10.4345","0.0009","17.0184","0.0014","17.4029","0.0015","90","","90","","90","","3090.4","0.5","298","2","298","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C28 H39 Cl2 N4 O4 P -","- C28 H39 Cl2 N4 O4 P -","- C112 H156 Cl8 N16 O16 P4 -","4","1","","Zhang, Haowei; Yang, Zhen; Zhao, Brian Nlong; Li, Guigen","Group-Assisted Purification (GAP) chemistry for Asymmetric Mannich-type reaction of chiral N-phosphonyl imines with azlactones leading to syntheses of α-quaternary α, β-diamino acid derivatives.","The Journal of organic chemistry","2017","","","","","10.1021/acs.joc.7b02556","","","0.71073","MoKα","","0.1203","0.0531","","","0.0654","0.0739","","","","","","1.017","","","","has coordinates","204611","2020-10-21","18:00:00",""
"4033309","13.1837","0.0014","7.2636","0.0008","10.4068","0.0011","90","","90","","90","","996.57","0.19","193","2","193","2","","","","","","","","3","P n m a","-P 2ac 2n","62","","","","- C14 H11 N -","- C14 H11 N -","- C56 H44 N4 -","4","0.5","","Al-Huniti, Mohammed H; Sullivan, Zachary B.; Stanley, Jarrod L.; Carson, James A.; Hyatt, I. F. Dempsey; Hairston, A. Christina; Croatt, Mitchell P.","Hypervalent Iodonium Alkynyl Triflate Generated Phenylcyanocarbene and Its Reactivity with Aromatic Systems.","The Journal of organic chemistry","2017","82","22","11772","11780","10.1021/acs.joc.7b01608","","","0.71073","MoKα","","0.0505","0.0452","","","0.1219","0.128","","","","","","1.058","","","","has coordinates","204740","2020-10-21","18:00:00",""
"4033310","17.9542","0.0008","11.5049","0.0005","7.3428","0.0003","90","","90","","90","","1516.74","0.11","100","2","100","2","","","","","","","","4","P c a 21","P 2c -2ac","29","","","","- C7 H7 F2 I -","- C7 H7 F2 I -","- C56 H56 F16 I8 -","8","2","","Sarie, Jérôme C; Thiehoff, Christian; Mudd, Richard J.; Daniliuc, Constantin G.; Kehr, Gerald; Gilmour, Ryan","Deconstructing the Catalytic, Vicinal Difluorination of Alkenes: HF-Free Synthesis and Structural Study of p-TolIF2.","The Journal of organic chemistry","2017","82","22","11792","11798","10.1021/acs.joc.7b01671","","","0.71073","MoKα","","0.0241","0.0197","","","0.0386","0.0399","","","","","","1.044","","","","has coordinates","204741","2020-10-21","18:00:00",""
"4033311","7.8333","0.0001","11.4999","0.0002","11.9889","0.0002","74.5871","0.0008","79.3292","0.0007","84.4982","0.0006","1021.9","0.03","296","2","296","2","","","","","","","","4","P -1","-P 1","2","","","","- C22 H23 N O6 -","- C22 H23 N O6 -","- C44 H46 N2 O12 -","2","1","","Laevens, Benjamin A.; Tao, Jason; Murphy, Graham K.","Iodide-Mediated Synthesis of Spirooxindolo Dihydrofurans from Iodonium Ylides and 3-Alkylidene-2-oxindoles.","The Journal of organic chemistry","2017","82","22","11903","11908","10.1021/acs.joc.7b01639","","","0.71073","MoKα","","0.0541","0.0411","","","0.0792","0.0849","","","","","","1.158","","","","has coordinates","204742","2020-10-21","18:00:00",""
"4033312","8.0597","0.0007","8.0602","0.0007","12.276","0.001","85.354","0.007","76.767","0.007","64.817","0.009","702.4","0.12","291.9","0.3","291.9","0.3","","","","","","","","6","P -1","-P 1","2","","","","- C13 H10 Br F3 N2 O2 -","- C13 H10 Br F3 N2 O2 -","- C26 H20 Br2 F6 N4 O4 -","2","1","","Ma, Haichao; Zhang, Xiaoyan; Chen, Liangliang; Yu, Wei","A Domino Azidation/C-H Amination Approach toward Trifluoromethyl Substituted Imidazoles.","The Journal of organic chemistry","2017","82","22","11841","11847","10.1021/acs.joc.7b01361","","","0.71073","MoKα","","0.1011","0.0647","","","0.1434","0.1777","","","","","","1.029","","","","has coordinates","204743","2020-10-21","18:00:00",""
"4033313","12.9089","0.0008","24.6306","0.0018","9.2995","0.0008","90","","104.03","0.007","90","","2868.6","0.4","289.53","0.1","289.53","0.1","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C14 H13 F3 N2 O2 -","- C14 H13 F3 N2 O2 -","- C112 H104 F24 N16 O16 -","8","2","","Ma, Haichao; Zhang, Xiaoyan; Chen, Liangliang; Yu, Wei","A Domino Azidation/C-H Amination Approach toward Trifluoromethyl Substituted Imidazoles.","The Journal of organic chemistry","2017","82","22","11841","11847","10.1021/acs.joc.7b01361","","","0.71073","MoKα","","0.1125","0.0655","","","0.1571","0.1925","","","","","","1.028","","","","has coordinates","204744","2020-10-21","18:00:00",""
"4033314","6.5955","0.0003","10.6686","0.0005","17.0119","0.0012","90","","90.016","0.006","90","","1197.04","0.12","123","2","123","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C11 H11 N O4 S2 -","- C11 H11 N O4 S2 -","- C44 H44 N4 O16 S8 -","4","2","","Yoshimura, Akira; Nguyen, Khiem C.; Rohde, Gregory T.; Postnikov, Pavel S.; Yusubov, Mekhman S.; Zhdankin, Viktor V.","Hypervalent Iodine Reagent Mediated Oxidative Heterocyclization of Aldoximes with Heterocyclic Alkenes.","The Journal of organic chemistry","2017","82","22","11742","11751","10.1021/acs.joc.7b01462","","","1.54187","CuKα","","0.1501","0.0851","","","0.1846","0.2634","","","","","","1.226","","","","has coordinates","204745","2020-10-21","18:00:00",""
"4033315","13.4331","0.0004","5.37","0.0002","28.625","0.002","90","","97.81","0.007","90","","2045.73","0.18","123","2","123","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C10 H9 N O5 S -","- C10 H9 N O5 S -","- C80 H72 N8 O40 S8 -","8","2","","Yoshimura, Akira; Nguyen, Khiem C.; Rohde, Gregory T.; Postnikov, Pavel S.; Yusubov, Mekhman S.; Zhdankin, Viktor V.","Hypervalent Iodine Reagent Mediated Oxidative Heterocyclization of Aldoximes with Heterocyclic Alkenes.","The Journal of organic chemistry","2017","82","22","11742","11751","10.1021/acs.joc.7b01462","","","1.54187","CuKα","","0.1351","0.0801","","","0.1347","0.1609","","","","","","1.038","","","","has coordinates,has disorder","204745","2020-10-21","18:00:00",""
"4033316","5.5612","0.0001","14.2627","0.0003","19.1433","0.0013","90","","90","","90","","1518.4","0.11","123","","123","","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C18 H18 N O2 P -","- C18 H18 N O2 P -","- C72 H72 N4 O8 P4 -","4","1","","Yoshimura, Akira; Nguyen, Khiem C.; Rohde, Gregory T.; Postnikov, Pavel S.; Yusubov, Mekhman S.; Zhdankin, Viktor V.","Hypervalent Iodine Reagent Mediated Oxidative Heterocyclization of Aldoximes with Heterocyclic Alkenes.","The Journal of organic chemistry","2017","82","22","11742","11751","10.1021/acs.joc.7b01462","","","1.54187","CuKα","","0.0402","0.0374","","","0.0912","0.0986","","","","","","1.082","","","","has coordinates","204745","2020-10-21","18:00:00",""
"4033317","7.6895","0.0004","12.8374","0.0005","17.1516","0.0006","90","","90","","90","","1693.09","0.12","293","2","293","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C16 H16 Cl I O S -","- C16 H16 Cl I O S -","- C64 H64 Cl4 I4 O4 S4 -","4","1","","Levitre, Guillaume; Dumoulin, Audrey; Retailleau, Pascal; Panossian, Armen; Leroux, Frédéric R; Masson, Géraldine","Asymmetric α-Sulfonyl- and α-Phosphoryl-Oxylation of Ketones by a Chiral Hypervalent Iodine(III).","The Journal of organic chemistry","2017","82","22","11877","11883","10.1021/acs.joc.7b01597","","x-ray","0.71073","MoKα","","0.0337","0.0265","","","0.0549","0.0571","","","","","","1.068","","","","has coordinates","204746","2020-10-21","18:00:00",""
"4033318","8.5473","0.0002","10.2561","0.0002","12.8964","0.0003","71.289","0.002","71.171","0.002","75.331","0.002","999.24","0.04","293","2","293","2","","","","","","","","6","P -1","-P 1","2","","","","- C16 H19 Cl3 N2 O6 S -","- C16 H19 Cl3 N2 O6 S -","- C32 H38 Cl6 N4 O12 S2 -","2","1","","Rey-Rodriguez, Romain; Grelier, Gwendal; Habert, Loïc; Retailleau, Pascal; Darses, Benjamin; Gillaizeau, Isabelle; Dauban, Philippe","Reaction of Ynamides with Iminoiodinane-Derived Nitrenes: Formation of Oxazolones and Polyfunctionalized Oxazolidinones.","The Journal of organic chemistry","2017","82","22","11897","11902","10.1021/acs.joc.7b01623","","x-ray","0.71073","MoKα","","0.0469","0.0348","","","0.0897","0.0961","","","","","","1.053","","","","has coordinates","204747","2020-10-21","18:00:00",""
"4033319","14.2906","0.0007","5.9928","0.0004","22.8149","0.0012","90","","93.389","0.007","90","","1950.47","0.19","150","","150","","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","","","- C25 H22 O4 -","- C25 H22 O4 -","- C100 H88 O16 -","4","1","","Shimogaki, Mio; Fujita, Morifumi; Sugimura, Takashi","Enantioselective C-C Bond Formation during the Oxidation of 5-Phenylpent-2-enyl Carboxylates with Hypervalent Iodine(III).","The Journal of organic chemistry","2017","82","22","11836","11840","10.1021/acs.joc.7b01141","","","0.71075","MoKα","","0.0874","0.0572","","","0.1348","0.1455","","","","","","1.092","","","","has coordinates","204748","2020-10-21","18:00:00",""
"4033320","13.1542","0.0017","5.9354","0.0008","21.289","0.003","90","","99.3213","0.0016","90","","1640.2","0.4","173","","173","","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C21 H14 I N -","- C21 H14 I N -","- C84 H56 I4 N4 -","4","1","","Sasaki, Teppei; Moriyama, Katsuhiko; Togo, Hideo","Preparation of 3-Iodoquinolines from N-Tosyl-2-propynylamines with Diaryliodonium Triflate and N-Iodosuccinimide.","The Journal of organic chemistry","2017","82","22","11727","11734","10.1021/acs.joc.7b01433","","","0.71073","MoKα","","0.0482","0.0322","","","0.0837","0.1133","","","","","","1.139","","","","has coordinates,has disorder","204749","2020-10-21","18:00:00",""
"4033345","10.286","0.002","13.899","0.005","33.15","0.02","90","","90","","90","","4739","3","80","2","80","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","MFA-MA-148_80K","","- C48 H57 Cl2 N3 O10 -","- C48 H57 Cl2 N3 O10 -","- C192 H228 Cl8 N12 O40 -","4","1","","Meng, Zhanchao; Souillart, Laetitia; Monks, Brendan; Huwyler, Nikolas; Herrmann, Jennifer; Müller, Rolf; Fürstner, Alois","A ""Motif-Oriented"" Total Synthesis of Nannocystin Ax. Preparation and Biological Assessment of Analogues.","The Journal of organic chemistry","2017","","","","","10.1021/acs.joc.7b02871","","","0.5636","synchrotron","","0.0587","0.0462","","","0.1183","0.1261","","","","","","1.091","","","","has coordinates","205050","2020-10-21","18:00:00",""
"4036788","12.3295","0.0011","13.0067","0.0012","18.5167","0.0016","82.403","0.002","75.715","0.001","70.487","0.001","2708.3","0.4","298","2","298","2","","","","","","","","6","P -1","-P 1","2","","","","- C63 H49 Br2 N5 O7 S2 -","- C63 H49 Br2 N5 O7 S2 -","- C126 H98 Br4 N10 O14 S4 -","2","1","","Fan, Wei; Yang, Zhen; Jiang, Bo; Li, Guigen","I<sub>2</sub>-Catalyzed sulfenylation of indoles and pyrroles using triethylammonium thiolates as sulfenylating agents.","Organic chemistry frontiers : an international journal of organic chemistry","2017","4","6","1091","1102","10.1039/C6QO00851H","","","0.71073","MoKα","","0.2123","0.0947","","","0.2052","0.2263","","","","","","1.103","","","","has coordinates,has disorder","235232","2020-10-21","18:00:00",""
"4037467","10.539","0.0012","19.502","0.002","14.1053","0.0017","90","","111.24","0.004","90","","2702.2","0.5","296","2","296","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C27 H21 Cl2 F3 N2 O4 -","- C27 H21 Cl2 F3 N2 O4 -","- C108 H84 Cl8 F12 N8 O16 -","4","1","","Lei, Ruirui; Wu, Yong; Dong, Suzhen; Jia, Kaili; Liu, Shunying; Hu, Wenhao","A Diastereoselective Multicomponent Reaction for Construction of Alkynylamide-Substituted α,β-Diamino Acid Derivatives To Hunt Hits.","The Journal of organic chemistry","2017","82","6","2862","2869","10.1021/acs.joc.6b02761","","","0.71073","MoKα","","0.1039","0.072","","","0.1991","0.23","","","","","","1.04","","","","has coordinates,has disorder","236198","2020-10-21","18:00:00",""
"4037468","23.6277","0.0009","24.7861","0.001","39.6556","0.0019","90","","90","","90","","23223.8","1.7","203","2","203","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C154 H170 I3 K2 N86 O67 -","- C154 H170 I3 K2 N86 O67 -","- C616 H680 I12 K8 N344 O268 -","4","1","","Gong, Wanjun; Ma, Jun; Zhao, Zhiyong; Gao, Fang; Liang, Feng; Zhang, Haijun; Liu, Simin","Inhibition and Stabilization: Cucurbituril Induced Distinct Effects on the Schiff Base Reaction.","The Journal of organic chemistry","2017","82","6","3298","3301","10.1021/acs.joc.6b02971","","","1.54178","CuKα","","0.1812","0.1375","","","0.3117","0.3548","","","","","","0.973","","","","has coordinates","236201","2020-10-21","18:00:00",""
"4037469","20.8688","0.0006","20.8688","0.0006","12.2249","0.0004","90","","90","","120","","4610.7","0.2","290","2","290","2","","","","","","","","5","R 3 :H","R 3","146","","","","- C19 H15 Br N2 O3 -","- C19 H15 Br N2 O3 -","- C171 H135 Br9 N18 O27 -","9","1","","Yang, Peng; Wang, Xiao; Chen, Feng; Zhang, Zheng-Bing; Chen, Chao; Peng, Lin; Wang, Li-Xin","Organocatalytic Enantioselective Michael/Cyclization Domino Reaction between 3-Amideoxindoles and α,β-Unsaturated Aldehydes: One-Pot Preparation of Chiral Spirocyclic Oxindole-γ-lactams.","The Journal of organic chemistry","2017","82","7","3908","3916","10.1021/acs.joc.6b03090","","","1.54184","CuKα","","0.0266","0.0264","","","0.071","0.0713","","","","","","1.048","","","","has coordinates","236203","2020-10-21","18:00:00",""
"4037470","12.177","0.003","8.5411","0.0014","14.152","0.004","90","","117.632","0.019","90","","1304","0.6","293","2","293","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C16 H14 N2 O2 -","- C16 H14 N2 O2 -","- C64 H56 N8 O8 -","4","1","","Jiao, Yan-Xiao; Wu, Ling-Ling; Zhu, Hai-Miao; Qin, Jiang-Ke; Pan, Cheng-Xue; Mo, Dong-Liang; Su, Gui-Fa","Tandem C-N Bond Formation through Condensation and Metal-Free N-Arylation: Protocol for Synthesizing Diverse Functionalized Quinoxalines.","The Journal of organic chemistry","2017","82","8","4407","4414","10.1021/acs.joc.7b00011","","","0.7107","MoKα","","0.1195","0.0697","","","0.1171","0.1453","","","","","","1.775","","","","has coordinates","236205","2020-10-21","18:00:00",""
"4037471","10.1206","0.0002","10.1349","0.0002","21.0311","0.0005","90","","90","","90","","2157.19","0.08","130","0.2","130","0.2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C25 H27 N O3 -","- C25 H27 N O3 -","- C100 H108 N4 O12 -","4","1","","Manchala, Narasimhulu; Law, Hanson Y. L.; Kerr, Daniel J.; Volpe, Rohan; Lepage, Romain J.; White, Jonathan M.; Krenske, Elizabeth H.; Flynn, Bernard L.","Multistereocenter-Containing Cyclopentanoids from Ynamides via Oxazolidinone-Controlled Nazarov Cyclization.","The Journal of organic chemistry","2017","82","13","6511","6527","10.1021/acs.joc.7b00082","","","1.5418","CuKα","","0.0438","0.0418","","","0.1044","0.1059","","","","","","0.989","","","","has coordinates","236207","2020-10-21","18:00:00",""
"4037472","11.6875","0.0017","12.1777","0.0018","12.2214","0.0017","94.92","0.003","111.382","0.002","116.846","0.002","1377.9","0.3","296","2","296","2","","","","","","","","4","P -1","-P 1","2","","","","- C31 H37 N O4 -","- C31 H37 N O4 -","- C62 H74 N2 O8 -","2","1","","Lin, Chen; Shen, Yangyong; Huang, Bo; Liu, Yu; Cui, Sunliang","Synthesis of Amides and Nitriles from Vinyl Azides and p-Quinone Methides.","The Journal of organic chemistry","2017","82","7","3950","3956","10.1021/acs.joc.7b00145","","","0.71073","MoKα","","0.1587","0.0548","","","0.0573","0.0706","","","","","","1.164","","","","has coordinates","236209","2020-10-21","18:00:00",""
"4037473","14.837","0.002","10.7069","0.0016","16.375","0.003","90","","110.019","0.003","90","","2444.1","0.7","296","2","296.15","","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C26 H35 N O4 -","- C26 H35 N O4 -","- C104 H140 N4 O16 -","4","1","","Lin, Chen; Shen, Yangyong; Huang, Bo; Liu, Yu; Cui, Sunliang","Synthesis of Amides and Nitriles from Vinyl Azides and p-Quinone Methides.","The Journal of organic chemistry","2017","82","7","3950","3956","10.1021/acs.joc.7b00145","","","0.71073","MoKα","","0.0955","0.0465","","","0.1123","0.138","","","","","","1.023","","","","has coordinates","236211","2020-10-21","18:00:00",""
"4037474","11.6882","0.0001","7.9358","0.0001","20.2157","0.0002","90","","105.231","0.001","90","","1809.25","0.03","291","2","291","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C21 H21 N O3 -","- C21 H21 N O3 -","- C84 H84 N4 O12 -","4","2","","Sun, Jianan; Hu, Yanbin; Li, Yanan; Zhang, Sheng; Zha, Zhenggen; Wang, Zhiyong","Copper-Catalyzed Chemoselective and Enantioselective Friedel-Crafts 1,2-Addition of Pyrrole with β,γ-Unsaturated α-Ketoesters.","The Journal of organic chemistry","2017","82","10","5102","5110","10.1021/acs.joc.7b00159","","","1.54184","CuKα","","0.0347","0.0326","","","0.0892","0.0918","","","","","","1.025","","","","has coordinates","236213","2020-10-21","18:00:00",""
"4037475","9.6731","0.0003","8.3989","0.0002","12.0183","0.0003","90","","92.185","0.001","90","","975.7","0.05","147","2","147","2","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C19 H27 Cl N O2 P -","- C19 H27 Cl N O2 P -","- C38 H54 Cl2 N2 O4 P2 -","2","1","","Su, Hsin Y.; Taylor, Mark S.","P-Stereogenic β-Aminophosphines: Preparation and Applications in Enantioselective Organocatalysis.","The Journal of organic chemistry","2017","82","6","3173","3182","10.1021/acs.joc.7b00199","","","1.54178","CuKα","","0.0219","0.0217","","","0.0561","0.0562","","","","","","1.068","","","","has coordinates","236216","2020-10-21","18:00:00",""
"4037476","13.8893","0.0005","6.8939","0.0003","15.5331","0.0006","90","","108.119","0.002","90","","1413.56","0.1","147","2","147","2","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C27 H37 B N3 O5 P -","- C27 H37 B N3 O5 P -","- C54 H74 B2 N6 O10 P2 -","2","1","","Su, Hsin Y.; Taylor, Mark S.","P-Stereogenic β-Aminophosphines: Preparation and Applications in Enantioselective Organocatalysis.","The Journal of organic chemistry","2017","82","6","3173","3182","10.1021/acs.joc.7b00199","","","1.54178","CuKα","","0.0354","0.034","","","0.088","0.0888","","","","","","1.052","","","","has coordinates","236217","2020-10-21","18:00:00",""
"4037477","4.0508","0.0005","12.2873","0.0015","15.1864","0.0019","103.756","0.002","94.792","0.002","109.637","0.002","680.37","0.15","137","2","137","","","","","","","","","4","P -1","-P 1","2","","","","- C38 H24 Br2 N2 -","- C38 H24 Br2 N2 -","- C38 H24 Br2 N2 -","1","0.5","","Evoniuk, Christopher J.; Gomes, Gabriel Dos Passos; Ly, Michelle; White, Frankie D.; Alabugin, Igor V.","Coupling Radical Homoallylic Expansions with C-C Fragmentations for the Synthesis of Heteroaromatics: Quinolines from Reactions of o-Alkenylarylisonitriles with Aryl, Alkyl, and Perfluoroalkyl Radicals.","The Journal of organic chemistry","2017","82","8","4265","4278","10.1021/acs.joc.7b00262","","","0.71073","MoKα","","0.0301","0.0263","","","0.062","0.0631","","","","","","1.154","","","","has coordinates","236219","2020-10-21","18:00:00",""
"4037478","6.62124","0.00007","13.29651","0.00013","34.1798","0.0004","90","","90","","90","","3009.17","0.06","110","2","110","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C30 H42 Cl3 F O6 -","- C30 H42 Cl3 F O6 -","- C120 H168 Cl12 F4 O24 -","4","1","","Pitts, Cody Ross; Siegler, Maxime A.; Lectka, Thomas","Intermolecular Aliphatic C-F···H-C Interaction in the Presence of ""Stronger"" Hydrogen Bond Acceptors: Crystallographic, Computational, and IR Studies.","The Journal of organic chemistry","2017","82","7","3996","4000","10.1021/acs.joc.7b00268","","","1.54178","CuKα","","0.0359","0.0353","","","0.1003","0.1009","","","","","","1.092","","","","has coordinates","236221","2020-10-21","18:00:00",""
"4037479","10.2837","0.0007","14.9709","0.0009","9.7616","0.0006","90","","112.694","0.002","90","","1386.51","0.15","293","2","293","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C17 H16 O3 -","- C17 H16 O3 -","- C68 H64 O12 -","4","1","","Liu, Yongjun; Tian, Guang; Li, Jingjing; Qi, Yan; Wen, Yonghong; Du, Feng","Reductive Bis-addition of Aromatic Aldehydes to α,β-Unsaturated Esters via the Use of Sm/Cu(I) in Air: A Route to the Construction of Furofuran Lignans.","The Journal of organic chemistry","2017","82","11","5932","5939","10.1021/acs.joc.7b00278","","","0.71073","MoKα","","0.0446","0.0389","","","0.1027","0.1075","","","","","","1.085","","","","has coordinates","236223","2020-10-21","18:00:00",""
"4037480","5.71443","0.00018","28.523","0.0008","10.7016","0.0004","90","","90.151","0.003","90","","1744.28","0.1","173","0.1","173","0.1","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","","","- C20 H22 O5 -","- C20 H22 O5 -","- C80 H88 O20 -","4","1","","Liu, Yongjun; Tian, Guang; Li, Jingjing; Qi, Yan; Wen, Yonghong; Du, Feng","Reductive Bis-addition of Aromatic Aldehydes to α,β-Unsaturated Esters via the Use of Sm/Cu(I) in Air: A Route to the Construction of Furofuran Lignans.","The Journal of organic chemistry","2017","82","11","5932","5939","10.1021/acs.joc.7b00278","","","0.71073","MoKα","","0.0701","0.051","","","0.106","0.1177","","","","","","1.078","","","","has coordinates","236223","2020-10-21","18:00:00",""
"4037481","24.5382","0.0013","5.9207","0.0003","25.8385","0.0013","90","","104.266","0.006","90","","3638.1","0.3","173","0.1","173","0.1","","","","","","","","3","I 1 2/a 1","-I 2ya","15","","","","- C22 H22 O4 -","- C22 H22 O4 -","- C176 H176 O32 -","8","1","","Liu, Yongjun; Tian, Guang; Li, Jingjing; Qi, Yan; Wen, Yonghong; Du, Feng","Reductive Bis-addition of Aromatic Aldehydes to α,β-Unsaturated Esters via the Use of Sm/Cu(I) in Air: A Route to the Construction of Furofuran Lignans.","The Journal of organic chemistry","2017","82","11","5932","5939","10.1021/acs.joc.7b00278","","","0.71073","MoKα","","0.0718","0.0508","","","0.1077","0.1234","","","","","","1.066","","","","has coordinates","236223","2020-10-21","18:00:00",""
"4037482","54.96","0.02","9.068","0.003","12.209","0.004","90","","101.194","0.009","90","","5969","4","153","2","153","2","","","","","","","","5","C 1 2 1","C 2y","5","","","","- C62 H52 Cl2 N2 O3 -","- C62 H46 Cl2 N2 O3 -","- C248 H184 Cl8 N8 O12 -","4","1","","Yu, Yang; Li, Yawen; Wang, Xiaoqing; Nian, Hao; Wang, Le; Li, Jie; Zhao, Yanxia; Yang, Xiran; Liu, Simin; Cao, Liping","Cucurbit[10]uril-Based [2]Rotaxane: Preparation and Supramolecular Assembly-Induced Fluorescence Enhancement.","The Journal of organic chemistry","2017","82","11","5590","5596","10.1021/acs.joc.7b00400","","","0.71073","MoKα","","0.1345","0.1022","","","0.2185","0.2298","","","","","","1.117","","","","has coordinates","236226","2020-10-21","18:00:00",""
"4037483","8.55","0.003","10.09","0.003","21.776","0.007","90","","93.816","0.008","90","","1874.4","1.1","293","2","293","2","","","","","","","see text","5","P 1 21/c 1","-P 2ybc","14","","","","- C23 H17 Cl N2 O -","- C23 H17 Cl N2 O -","- C92 H68 Cl4 N8 O4 -","4","1","","Rajesh, Manda; Puri, Surendra; Kant, Ruchir; Sridhar Reddy, Maddi","Ag-Catalyzed Intramolecular Sequential Vicinal Diamination of Alkynes with Isocyanates: Synthesis of Fused Indole-Cyclic Urea Derivatives.","The Journal of organic chemistry","2017","82","10","5169","5177","10.1021/acs.joc.7b00417","","","0.71075","MoKα","","0.1004","0.0525","","","0.1341","0.1508","","","","","","1.011","","","","has coordinates","236228","2020-10-21","18:00:00",""
"4037484","6.017","0.002","9.564","0.003","30.731","0.011","90.012","0.011","90.214","0.011","90.193","0.012","1768.4","1","296","2","296","2","","","","","","","","3","P 1","P 1","1","","","","- C24 H21 O -","- C24 H20 O -","- C96 H80 O4 -","4","4","","Dey, Amrita; Ali, Md Ashif; Jana, Sourav; Hajra, Alakananda","Copper-Catalyzed Regioselective Synthesis of Multisubstituted Furans by Coupling between Ketones and Aromatic Olefins.","The Journal of organic chemistry","2017","82","9","4812","4818","10.1021/acs.joc.7b00476","","","0.71073","MoKα","","0.1239","0.0758","","","0.1897","0.2324","","","","","","0.969","","","","has coordinates","236230","2020-10-21","18:00:00",""
"4037485","5.9655","0.0005","8.3443","0.0004","29.031","0.002","90","","93.06","0.008","90","","1443.04","0.17","298","10","298","10","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C15 H15 N O4 S -","- C15 H15 N O4 S -","- C60 H60 N4 O16 S4 -","4","1","","Mu, Delong; Wang, Xinmou; Chen, Gong; He, Gang","Iridium-Catalyzed ortho-C(sp<sup>2</sup>)-H Amidation of Benzaldehydes with Organic Azides.","The Journal of organic chemistry","2017","82","8","4497","4503","10.1021/acs.joc.7b00531","","x-ray","0.71073","MoKα","","0.0902","0.0526","","","0.1102","0.1351","","","","","","1.062","","","","has coordinates","236232","2020-10-21","18:00:00",""
"4037486","7.7523","0.0006","9.9375","0.0008","10.9445","0.0008","83.039","0.007","79.544","0.006","72.21","0.007","787.55","0.11","298","10","298","10","","","","","","","","5","P -1","-P 1","2","","","","- C18 H15 N O3 S -","- C18 H15 N O3 S -","- C36 H30 N2 O6 S2 -","2","1","","Mu, Delong; Wang, Xinmou; Chen, Gong; He, Gang","Iridium-Catalyzed ortho-C(sp<sup>2</sup>)-H Amidation of Benzaldehydes with Organic Azides.","The Journal of organic chemistry","2017","82","8","4497","4503","10.1021/acs.joc.7b00531","","x-ray","0.71073","MoKα","","0.1011","0.0533","","","0.1007","0.1307","","","","","","1.059","","","","has coordinates","236234","2020-10-21","18:00:00",""
"4037487","8.78","0.0009","8.8815","0.0007","11.5174","0.0008","77.869","0.006","87.177","0.007","64.169","0.009","789.42","0.13","297.4","0.3","297.4","0.3","","","","","","","","5","P -1","-P 1","2","","","","- C16 H15 N O5 S -","- C16 H15 N O5 S -","- C32 H30 N2 O10 S2 -","2","1","","Mu, Delong; Wang, Xinmou; Chen, Gong; He, Gang","Iridium-Catalyzed ortho-C(sp<sup>2</sup>)-H Amidation of Benzaldehydes with Organic Azides.","The Journal of organic chemistry","2017","82","8","4497","4503","10.1021/acs.joc.7b00531","","x-ray","0.71073","MoKα","","0.0561","0.0432","","","0.1067","0.1169","","","","","","1.052","","","","has coordinates","236236","2020-10-21","18:00:00",""
"4037488","9.8868","0.0011","15.861","0.002","18.957","0.0019","90","","90","","90","","2972.7","0.6","293","","293","","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C16 H16 N2 O4 -","- C16 H16 N2 O4 -","- C128 H128 N16 O32 -","8","1","","Parella, Ramarao; Babu, Srinivasarao Arulananda","Pd(II)-Catalyzed, Picolinamide-Assisted, Z-Selective γ-Arylation of Allylamines To Construct Z-Cinnamylamines.","The Journal of organic chemistry","2017","82","13","6550","6567","10.1021/acs.joc.7b00535","","","0.71075","MoKα","","0.1122","0.0786","","","0.1664","0.1878","","","","","","1.174","","","","has coordinates,has disorder","236237","2020-10-21","18:00:00",""
"4037489","21.6776","0.001","25.114","0.011","9.141","0.004","90","","99.182","0.006","90","","4913","3","100","2","100.15","","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C52 H36 B3 F6 N7 -","- C52 H36 B3 F6 N7 -","- C208 H144 B12 F24 N28 -","4","0.5","","Kumar, Sunit; Thorat, Kishor G.; Ravikanth, Mangalampalli","Synthesis and Properties of Covalently Linked AzaBODIPY-BODIPY Dyads and AzaBODIPY-(BODIPY)<sub>2</sub> Triads.","The Journal of organic chemistry","2017","82","13","6568","6577","10.1021/acs.joc.7b00542","","","0.71075","MoKα","","0.1067","0.0644","","","0.1258","0.1424","","","","","","0.878","","","","has coordinates","236239","2020-10-21","18:00:00",""
"4037490","13.456","0.004","7.52","0.002","15.678","0.004","90","","105.424","0.006","90","","1529.3","0.7","170","","170","","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C19 H14 N2 O4 -","- C19 H14 N2 O4 -","- C76 H56 N8 O16 -","4","1","","Xie, Yanan; Wu, Xiaowei; Li, Chunpu; Wang, Jiang; Li, Jian; Liu, Hong","Ruthenium(II)-Catalyzed Redox-Neutral [3+2] Annulation of Indoles with Internal Alkynes via C-H Bond Activation: Accessing a Pyrroloindolone Scaffold.","The Journal of organic chemistry","2017","82","10","5263","5273","10.1021/acs.joc.7b00575","","","0.71073","MoKα","","0.0854","0.0482","","","0.1189","0.1377","","","","","","1.016","","","","has coordinates","236241","2020-10-21","18:00:00",""
"4037491","8.2464","0.0005","16.2806","0.001","21.1267","0.0011","90","","97.119","0.006","90","","2814.5","0.3","293","2","293","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C30 H22 Br N3 O5 S -","- C30 H22 Br N3 O5 S -","- C120 H88 Br4 N12 O20 S4 -","4","1","","Zhang, Lei; Lu, Hong; Xu, Guo-Qiang; Wang, Zhu-Yin; Xu, Peng-Fei","PPh<sub>3</sub> Mediated Reductive Annulation Reaction between Isatins and Electron Deficient Dienes to Construct Spirooxindole Compounds.","The Journal of organic chemistry","2017","82","11","5782","5789","10.1021/acs.joc.7b00595","","x-ray","1.54184","CuKα","","0.1222","0.0946","","","0.2594","0.2736","","","","","","1.178","","","","has coordinates","236243","2020-10-21","18:00:00",""
"4037492","12.5227","0.0005","13.8588","0.0004","15.9556","0.0006","90","","101.452","0.004","90","","2713.96","0.17","292.78","0.1","292.78","0.1","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C30 H23 N3 O5 S -","- C30 H23 N3 O5 S -","- C120 H92 N12 O20 S4 -","4","1","","Zhang, Lei; Lu, Hong; Xu, Guo-Qiang; Wang, Zhu-Yin; Xu, Peng-Fei","PPh<sub>3</sub> Mediated Reductive Annulation Reaction between Isatins and Electron Deficient Dienes to Construct Spirooxindole Compounds.","The Journal of organic chemistry","2017","82","11","5782","5789","10.1021/acs.joc.7b00595","","x-ray","0.71073","MoKα","","0.117","0.0619","","","0.1289","0.1636","","","","","","1.037","","","","has coordinates","236245","2020-10-21","18:00:00",""
"4037493","7.461","0.006","9.376","0.008","23.221","0.018","90","","105.93","0.02","90","","1562","2","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C15 H14 F7 N O -","- C15 H14 F7 N O -","- C60 H56 F28 N4 O4 -","4","1","","Zheng, Jinhua; Chen, Pan; Yuan, Yaofeng; Cheng, Jiajia","Pd-Catalyzed Arylperfluoroalkylation of Unactivated Olefins for the Synthesis of Heterocycles.","The Journal of organic chemistry","2017","82","11","5790","5797","10.1021/acs.joc.7b00598","","","0.71073","MoKα","","0.0764","0.0609","","","0.1886","0.2051","","","","","","1.041","","","","has coordinates","236247","2020-10-21","18:00:00",""
"4037494","8.8838","0.0006","8.9296","0.0011","13.3506","0.0008","97.838","0.007","98.644","0.005","91.067","0.008","1036.45","0.16","293","2","293","2","","","","","","","","4","P -1","-P 1","2","","","","- C26 H19 N3 O3 -","- C26 H19 N3 O3 -","- C52 H38 N6 O6 -","2","1","","Pradhan, Sourav; De, Pinaki Bhusan; Punniyamurthy, Tharmalingam","Copper(II)-Mediated Chelation-Assisted Regioselective N-Naphthylation of Indoles, Pyrazoles and Pyrrole through Dehydrogenative Cross-Coupling.","The Journal of organic chemistry","2017","82","9","4883","4890","10.1021/acs.joc.7b00615","","","0.71073","MoKα","","0.063","0.0491","","","0.1001","0.1076","","","","","","1.048","","","","has coordinates","236248","2020-10-21","18:00:00",""
"4037495","7.305","0.0009","16.254","0.003","16.7183","0.0019","90","","90","","90","","1985.1","0.5","293","2","293","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C40 H38 Cl2 O16 -","- C40 H37.8 Cl2 O15.9 -","- C80 H75.6 Cl4 O31.8 -","2","0.5","","Moro, Artur J.; Parola, A. Jorge; Pina, Fernando; Pana, Ana-Maria; Badea, Valentin; Pausescu, Iulia; Shova, Sergiu; Cseh, Liliana","2,2'-Spirobis[chromene] Derivatives Chemistry and Their Relation with the Multistate System of Anthocyanins.","The Journal of organic chemistry","2017","82","10","5301","5309","10.1021/acs.joc.7b00634","","x-ray","1.54184","CuKα","","0.172","0.096","","","0.2311","0.3041","","","","","","1.003","","","","has coordinates,has disorder","236250","2020-10-21","18:00:00",""
"4037496","10.2517","0.0003","14.6838","0.0004","17.6105","0.0005","90","","90","","90","","2650.98","0.13","173","2","173","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C26 H30 N4 O4 S -","- C26 H30 N4 O4 S -","- C104 H120 N16 O16 S4 -","4","1","","Lin, Huihua; Zhou, Zijun; Cai, Jun; Han, Bowen; Gong, Lei; Meggers, Eric","Asymmetric Construction of 3,3-Disubstituted Oxindoles Bearing Vicinal Quaternary-Tertiary Carbon Stereocenters Catalyzed by a Chiral-at-Rhodium Complex.","The Journal of organic chemistry","2017","82","12","6457","6467","10.1021/acs.joc.7b00793","","","1.54184","CuKα","","0.0331","0.032","","","0.0877","0.0889","","","","","","1","","","","has coordinates","236251","2020-10-21","18:00:00",""
"4037497","7.2152","0.0003","14.0726","0.0007","20.7911","0.001","90","","90","","90","","2111.06","0.17","100","2","100","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C28 H20 Br2 -","- C28 H20 Br2 -","- C112 H80 Br8 -","4","1","","van Leeuwen, Thomas; Danowski, Wojciech; Otten, Edwin; Wezenberg, Sander J.; Feringa, Ben L.","Asymmetric Synthesis of Second-Generation Light-Driven Molecular Motors.","The Journal of organic chemistry","2017","82","10","5027","5033","10.1021/acs.joc.7b00852","","","0.71073","MoKα","","0.017","0.0157","","","0.0392","0.0395","","","","","","1.084","","","","has coordinates","236252","2020-10-21","18:00:00",""
"4037498","10.7705","0.0007","10.1713","0.0006","15.4078","0.0009","90","","97.569","0.006","90","","1673.22","0.18","150","2","150","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C16 H18 Br N3 O4 -","- C16 H18 Br N3 O4 -","- C64 H72 Br4 N12 O16 -","4","1","","Satham, Lakshminarayana; Namboothiri, Irishi N. N.","Regio- and Diastereoselective Synthesis of Dihydropyridopyrimidines via Cascade Reactions of 2-Aminopyridines with Morita-Baylis-Hillman Bromides of Nitroalkenes.","The Journal of organic chemistry","2017","82","12","6482","6488","10.1021/acs.joc.7b00947","","","0.71073","MoKα","","0.0606","0.0497","","","0.1412","0.1499","","","","","","1.075","","","","has coordinates","236253","2020-10-21","18:00:00",""
"4037499","11.031","0.002","7.7855","0.0015","29.329","0.006","90","","90","","90","","2518.8","0.8","296","2","296","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C15 H12 N2 O3 -","- C15 H12 N2 O3 -","- C120 H96 N16 O24 -","8","1","","Guo, Chun-Xiao; Zhang, Wen-Zhen; Zhang, Ning; Lu, Xiao-Bing","1,3-Dipolar Cycloaddition of Nitrile Imine with Carbon Dioxide: Access to 1,3,4-Oxadiazole-2(3H)-ones.","The Journal of organic chemistry","2017","82","14","7637","7642","10.1021/acs.joc.7b00963","","","0.71073","MoKα","","0.0576","0.0428","","","0.0992","0.108","","","","","","1.047","","","","has coordinates","236254","2020-10-21","18:00:00",""
"4037500","14.8183","0.0013","11.2475","0.0002","15.815","0.003","90","","105.57","0.02","90","","2539.1","0.6","100","2","100","2","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C50 H18 B2 Cl6 F20 N2 O2 -","- C50 H18 B2 Cl6 F20 N2 O2 -","- C100 H36 B4 Cl12 F40 N4 O4 -","2","0.5","","Urban, Mateusz; Durka, Krzysztof; Jankowski, Piotr; Serwatowski, Janusz; Luliński, Sergiusz","Highly Fluorescent Red-Light Emitting Bis(boranils) Based on Naphthalene Backbone.","The Journal of organic chemistry","2017","82","15","8234","8241","10.1021/acs.joc.7b01001","","","1.5418","CuKα","","0.0454","0.0424","","","0.1099","0.113","","","","","","1.061","","","","has coordinates,has disorder","236256","2020-10-21","18:00:00",""
"4037501","10.8339","0.001","11.6677","0.001","12.8335","0.0007","68.481","0.007","87.828","0.006","76.034","0.008","1462.2","0.2","100","2","100","2","","","","","","","","7","P -1","-P 1","2","","","","- C58 H36 B2 Cl6 F20 N4 O2 -","- C58 H36 B2 Cl6 F20 N4 O2 -","- C58 H36 B2 Cl6 F20 N4 O2 -","1","0.5","","Urban, Mateusz; Durka, Krzysztof; Jankowski, Piotr; Serwatowski, Janusz; Luliński, Sergiusz","Highly Fluorescent Red-Light Emitting Bis(boranils) Based on Naphthalene Backbone.","The Journal of organic chemistry","2017","82","15","8234","8241","10.1021/acs.joc.7b01001","","x-ray","1.54184","CuKα","","0.1076","0.0657","","","0.1761","0.2142","","","","","","1.023","","","","has coordinates","236256","2020-10-21","18:00:00",""
"4037502","12.846","0.0014","5.5579","0.0006","22.666","0.002","90","","99.6153","0.0017","90","","1595.5","0.3","100","2","100","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C16 H21 N O4 S -","- C16 H21 N O4 S -","- C64 H84 N4 O16 S4 -","4","1","","Diccianni, Justin B.; Heitmann, Tyler; Diao, Tianning","Nickel-Catalyzed Reductive Cycloisomerization of Enynes with CO<sub>2</sub>.","The Journal of organic chemistry","2017","82","13","6895","6903","10.1021/acs.joc.7b01034","","","0.71073","MoKα","","0.0575","0.0468","","","0.12","0.1273","","","","","","1.044","","","","has coordinates,has disorder","236257","2020-10-21","18:00:00",""
"4037503","11.711","0.003","9.334","0.002","25.458","0.006","90","","99.53","0.006","90","","2744.4","1.1","103","","103","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","(2R*,12S*)-2-Butyl-14,14-bis(methoxycarbonyl)-9,9-dimethyl-12- phenylsulfonyltricyclo[9.4.0.03,8]tetradeca-1(15),3,5,7,10-tetraene","","- C31 H36 O6 S -","- C31 H36 O6 S -","- C124 H144 O24 S4 -","4","1","","Kawaguchi, Yasuaki; Yasuda, Shigeo; Mukai, Chisato","Mechanistic Investigation of Rh<sup>I</sup>-Catalyzed Cycloisomerization of Benzylallene-Internal Alkynes via C-H Activation.","The Journal of organic chemistry","2017","82","14","7666","7674","10.1021/acs.joc.7b01048","","","0.71075","MoKα","","","0.0972","","","","0.3107","","","","","","1.079","","","","has coordinates","236258","2020-10-21","18:00:00",""
"4037504","8.0414","0.0005","10.3635","0.0008","15.97","0.0013","90","","100.769","0.003","90","","1307.45","0.17","296","2","296","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C16 H11 Br N2 O -","- C16 H11 Br N2 O -","- C64 H44 Br4 N8 O4 -","4","1","","Badigenchala, Sindhura; Sekar, Govindasamy","NIS Mediated Cross-Coupling of C(sp<sup>2</sup>)-H and N-H Bonds: A Transition-Metal-Free Approach toward Indolo[1,2-a]quinazolinones.","The Journal of organic chemistry","2017","82","14","7657","7665","10.1021/acs.joc.7b01080","","","0.71073","MoKα","","0.0544","0.0335","","","0.0653","0.0717","","","","","","1.03","","","","has coordinates","236259","2020-10-21","18:00:00",""
"4037505","12.529","","7.898","","12.87","","90","","103.96","","90","","1235.92","","293","2","293","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C60 H48 F4 N12 -","- C60 H48 F4 N12 -","- C60 H48 F4 N12 -","1","0.25","","Zhang, Qiao; Zheng, Guangfan; Zhang, Qian; Li, Yan; Zhang, Qian","Metal-Free Three-Component Regioselective Aminofluorination of Styrene Derivatives.","The Journal of organic chemistry","2017","82","15","8258","8266","10.1021/acs.joc.7b01089","","","0.71073","MoKα","","0.0651","0.0447","","","0.1372","0.1553","","","","","","1.023","","","","has coordinates","236260","2020-10-21","18:00:00",""
"4037506","8.765","","13.009","","13.962","","90","","103.9","","90","","1545.38","","293","2","293","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C18 H13 F2 N3 S -","- C18 H13 F2 N3 S -","- C72 H52 F8 N12 S4 -","4","1","","Zhang, Qiao; Zheng, Guangfan; Zhang, Qian; Li, Yan; Zhang, Qian","Metal-Free Three-Component Regioselective Aminofluorination of Styrene Derivatives.","The Journal of organic chemistry","2017","82","15","8258","8266","10.1021/acs.joc.7b01089","","","0.71073","MoKα","","0.0744","0.0635","","","0.214","0.222","","","","","","1.645","","","","has coordinates","236262","2020-10-21","18:00:00",""
"4037507","11.425","","14.928","","15.76","","107.82","","111.14","","90.04","","2367.99","","293","2","293","2","","","","","","","","4","P 1","P 1","1","","","","- C20 H16 F N3 -","- C20 H16 F N3 -","- C120 H96 F6 N18 -","6","6","","Zhang, Qiao; Zheng, Guangfan; Zhang, Qian; Li, Yan; Zhang, Qian","Metal-Free Three-Component Regioselective Aminofluorination of Styrene Derivatives.","The Journal of organic chemistry","2017","82","15","8258","8266","10.1021/acs.joc.7b01089","","","0.71073","MoKα","","0.0801","0.0344","","","0.1062","0.1322","","","","","","0.634","","","","has coordinates","250444","2020-10-21","18:00:00",""
"4037508","8.0727","0.0003","8.1831","0.0003","11.4988","0.0004","76.276","0.002","76.546","0.002","63.917","0.001","655.56","0.04","100","0.2","100","0.2","","","","","","","","4","P -1","-P 1","2","","","","- C15 H16 N4 O -","- C15 H16 N4 O -","- C30 H32 N8 O2 -","2","1","","Tsai, Meng-Shiue; Ou, Chun-Lin; Tsai, Chi-Jui; Huang, Yen-Chin; Cheng, Yuan-Chung; Sun, Shih-Sheng; Yang, Jye-Shane","Fluorescence Enhancement of Unconstrained GFP Chromophore Analogues Based on the Push-Pull Substituent Effect.","The Journal of organic chemistry","2017","82","15","8031","8039","10.1021/acs.joc.7b01260","","","0.71073","MoKα","","0.0428","0.0367","","","0.0964","0.102","","","","","","1.038","","","","has coordinates","236265","2020-10-21","18:00:00",""
"4037509","10.3427","0.0006","11.3011","0.0008","13.1434","0.0011","111.232","0.007","92.812","0.006","101.965","0.006","1387.82","0.19","200","2","200","2","","","","","","","","4","P -1","-P 1","2","","","","- C15 H16 N4 O -","- C15 H16 N4 O -","- C60 H64 N16 O4 -","4","2","","Tsai, Meng-Shiue; Ou, Chun-Lin; Tsai, Chi-Jui; Huang, Yen-Chin; Cheng, Yuan-Chung; Sun, Shih-Sheng; Yang, Jye-Shane","Fluorescence Enhancement of Unconstrained GFP Chromophore Analogues Based on the Push-Pull Substituent Effect.","The Journal of organic chemistry","2017","82","15","8031","8039","10.1021/acs.joc.7b01260","","","1.54178","CuKα","","0.0766","0.0587","","","0.1586","0.1807","","","","","","1.034","","","","has coordinates","236266","2020-10-21","18:00:00",""
"4037510","6.0926","0.0007","12.1228","0.0014","15.3871","0.0016","73.037","0.002","86.996","0.003","81.089","0.002","1073.9","0.2","293","2","293","2","","","","","","","","6","P -1","-P 1","2","","","","- C18 H15 F3 N2 O4 S -","- C18 H15 F3 N2 O4 S -","- C36 H30 F6 N4 O8 S2 -","2","1","","Huang, Qiu-Xia; Zheng, Qu-Tong; Duan, Yaya; Lin, Jin-Hong; Xiao, Ji-Chang; Zheng, Xing","Diastereoselective Synthesis of CF<sub>3</sub>-Containing Vicinal Diamines.","The Journal of organic chemistry","2017","82","15","8273","8281","10.1021/acs.joc.7b01261","","","0.71073","MoKα","","0.0815","0.0597","","","0.1662","0.1791","","","","","","1.05","","","","has coordinates","236267","2020-10-21","18:00:00",""
"4037511","11.873","0.002","13.795","0.003","14.934","0.003","74.128","0.004","74.345","0.004","88.89","0.004","2261.6","0.8","293","2","293","2","","","","","","","","6","P -1","-P 1","2","","","","- C24 H23 F3 N2 O2 S -","- C24 H23 F3 N2 O2 S -","- C96 H92 F12 N8 O8 S4 -","4","2","","Huang, Qiu-Xia; Zheng, Qu-Tong; Duan, Yaya; Lin, Jin-Hong; Xiao, Ji-Chang; Zheng, Xing","Diastereoselective Synthesis of CF<sub>3</sub>-Containing Vicinal Diamines.","The Journal of organic chemistry","2017","82","15","8273","8281","10.1021/acs.joc.7b01261","","","0.71073","MoKα","","0.0973","0.0643","","","0.1538","0.1915","","","","","","1.065","","","","has coordinates","236267","2020-10-21","18:00:00",""
"4037512","8.9029","0.0013","10.2491","0.0015","10.8402","0.0016","97.645","0.003","97.068","0.003","96.897","0.003","963.5","0.2","293","2","293","2","","","","","","","","6","P -1","-P 1","2","","","","- C19 H20 F3 N O3 S -","- C19 H20 F3 N O3 S -","- C38 H40 F6 N2 O6 S2 -","2","1","","Huang, Qiu-Xia; Zheng, Qu-Tong; Duan, Yaya; Lin, Jin-Hong; Xiao, Ji-Chang; Zheng, Xing","Diastereoselective Synthesis of CF<sub>3</sub>-Containing Vicinal Diamines.","The Journal of organic chemistry","2017","82","15","8273","8281","10.1021/acs.joc.7b01261","","","0.71073","MoKα","","0.076","0.0654","","","0.179","0.1909","","","","","","1.051","","","","has coordinates","236267","2020-10-21","18:00:00",""
"4037513","10.1421","0.0006","8.1506","0.0004","12.8445","0.0008","90","","112.215","0.007","90","","982.97","0.11","293","2","293","2","","","","","","","","5","P 1 21 1","P 2yb","4","","(1R,5S,7S)-7-[(benzyloxy)methyl]-2-tosyl-6-oxa-2-azabicyclo[3.2.1]octane","","- C21 H25 N O4 S -","- C21 H25 N O4 S -","- C42 H50 N2 O8 S2 -","2","1","","Mahía, Alejandro; Badorrey, Ramón; Gálvez, José A; Díaz-de-Villegas, María D","Diastereoselective Construction of the 6-Oxa-2-azabicyclo[3.2.1]octane Scaffold from Chiral α-Hydroxyaldehyde Derivatives by the Aza-Prins Reaction.","The Journal of organic chemistry","2017","82","15","8048","8057","10.1021/acs.joc.7b01291","","","0.71073","MoKα","","0.0585","0.0428","","","0.0858","0.0952","","","","","","1.053","","","","has coordinates","236269","2020-10-21","18:00:00",""
"4037514","17.6246","0.0004","7.4786","0.0002","38.5418","0.0008","90","","90","","90","","5080.1","0.2","100","0.1","100","0.1","","","","","","","","2","P b c a","-P 2ac 2ab","61","","","","- C44 H22 -","- C44 H22 -","- C352 H176 -","8","1","","Tao, Yu-Tai; Pola, Someshwar; Kumar, Sushil; Islam, M. Minarul","Synthesis and Characterization of Contorted Pentabenzo-Fused Coronenes as Semiconducting Materials.","The Journal of organic chemistry","2017","82","15","8067","8071","10.1021/acs.joc.7b01328","","","0.71073","MoKα","","0.0489","0.0377","","","0.0963","0.1042","","","","","","1.034","","","","has coordinates","236271","2020-10-21","18:00:00",""
"4037515","21.76262","0.00016","21.76262","0.00016","7.96088","0.00012","90","","90","","90","","3770.37","0.07","100","2","100","2","","","","","","","","3","P -4 21 c","P -4 2n","114","","","","- C25 H18 N4 -","- C25 H18 N4 -","- C200 H144 N32 -","8","1","","Funt, Liya D.; Tomashenko, Olesya A.; Mosiagin, Ivan P.; Novikov, Mikhail S.; Khlebnikov, Alexander F.","Synthesis of Pyrrolotriazoloisoquinoline Frameworks by Intramolecular Cu-Mediated or Free Radical Arylation of Triazoles.","The Journal of organic chemistry","2017","82","14","7583","7594","10.1021/acs.joc.7b01341","","x-ray","1.54184","CuKα","","0.0302","0.0287","","","0.0725","0.0741","","","","","","1.055","","","","has coordinates","236273","2020-10-21","18:00:00",""
"4037516","14.6934","0.0009","12.412","0.0009","35.719","0.003","90","","90","","90","","6514.2","0.8","100","2","100","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C19 H16 N3 O2.5 -","- C19 H16 N3 O2.5 -","- C304 H256 N48 O40 -","16","2","","Fesenko, Anastasia A.; Grigoriev, Mikhail S.; Shutalev, Anatoly D.","Nucleophile-Mediated Ring Expansion of 5-Acyl-substituted 4-Mesyloxymethyl-1,2,3,4-tetrahydropyrimidin-2-ones in the Synthesis of 7-Membered Analogues of Biginelli Compounds and Related Heterocycles.","The Journal of organic chemistry","2017","82","15","8085","8110","10.1021/acs.joc.7b01348","","","0.71073","MoKα","","0.0708","0.0411","","","0.084","0.0975","","","","","","1.01","","","","has coordinates","236276","2020-10-21","18:00:00",""
"4037517","12.094","0.003","7.0075","0.0017","21.832","0.005","90","","94.77","0.03","90","","1843.8","0.8","293","2","293","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C19 H21 N3 O5 -","- C19 H21 N3 O5 -","- C76 H84 N12 O20 -","4","1","","Fesenko, Anastasia A.; Grigoriev, Mikhail S.; Shutalev, Anatoly D.","Nucleophile-Mediated Ring Expansion of 5-Acyl-substituted 4-Mesyloxymethyl-1,2,3,4-tetrahydropyrimidin-2-ones in the Synthesis of 7-Membered Analogues of Biginelli Compounds and Related Heterocycles.","The Journal of organic chemistry","2017","82","15","8085","8110","10.1021/acs.joc.7b01348","","","0.56087","AgKα","","0.1109","0.0496","","","0.1004","0.1202","","","","","","0.906","","","","has coordinates","236276","2020-10-21","18:00:00",""
"4037518","9.5731","0.0005","14.4963","0.0009","18.9287","0.0011","90","","90","","90","","2626.8","0.3","100","2","100","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C14 H16 N2 O4 -","- C14 H16 N2 O4 -","- C112 H128 N16 O32 -","8","1","","Fesenko, Anastasia A.; Grigoriev, Mikhail S.; Shutalev, Anatoly D.","Nucleophile-Mediated Ring Expansion of 5-Acyl-substituted 4-Mesyloxymethyl-1,2,3,4-tetrahydropyrimidin-2-ones in the Synthesis of 7-Membered Analogues of Biginelli Compounds and Related Heterocycles.","The Journal of organic chemistry","2017","82","15","8085","8110","10.1021/acs.joc.7b01348","","","0.71073","MoKα","","0.0681","0.0467","","","0.1197","0.133","","","","","","1.05","","","","has coordinates","236276","2020-10-21","18:00:00",""
"4037519","8.3266","0.0002","20.7583","0.0005","7.9994","0.0002","90","","108.102","0.001","90","","1314.23","0.06","100","2","100","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C12 H20 N2 O4 -","- C12 H20 N2 O4 -","- C48 H80 N8 O16 -","4","1","","Fesenko, Anastasia A.; Grigoriev, Mikhail S.; Shutalev, Anatoly D.","Nucleophile-Mediated Ring Expansion of 5-Acyl-substituted 4-Mesyloxymethyl-1,2,3,4-tetrahydropyrimidin-2-ones in the Synthesis of 7-Membered Analogues of Biginelli Compounds and Related Heterocycles.","The Journal of organic chemistry","2017","82","15","8085","8110","10.1021/acs.joc.7b01348","","","0.71073","MoKα","","0.0442","0.0364","","","0.0917","0.0962","","","","","","1.032","","","","has coordinates","236276","2020-10-21","18:00:00",""
"4037520","9.0834","0.0002","9.2348","0.0002","14.267","0.0003","90","","100.316","0.001","90","","1177.42","0.04","100","2","100","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C13 H12 N2 O3 -","- C13 H12 N2 O3 -","- C52 H48 N8 O12 -","4","1","","Fesenko, Anastasia A.; Grigoriev, Mikhail S.; Shutalev, Anatoly D.","Nucleophile-Mediated Ring Expansion of 5-Acyl-substituted 4-Mesyloxymethyl-1,2,3,4-tetrahydropyrimidin-2-ones in the Synthesis of 7-Membered Analogues of Biginelli Compounds and Related Heterocycles.","The Journal of organic chemistry","2017","82","15","8085","8110","10.1021/acs.joc.7b01348","","","0.71073","MoKα","","0.05","0.039","","","0.0964","0.1038","","","","","","1.032","","","","has coordinates","236276","2020-10-21","18:00:00",""
"4037521","18.0896","0.0009","6.6427","0.0004","15.8147","0.0008","90","","123.025","0.003","90","","1593.32","0.16","100","2","100","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C8 H10 N2 O2 -","- C8 H10 N2 O2 -","- C64 H80 N16 O16 -","8","1","","Fesenko, Anastasia A.; Grigoriev, Mikhail S.; Shutalev, Anatoly D.","Nucleophile-Mediated Ring Expansion of 5-Acyl-substituted 4-Mesyloxymethyl-1,2,3,4-tetrahydropyrimidin-2-ones in the Synthesis of 7-Membered Analogues of Biginelli Compounds and Related Heterocycles.","The Journal of organic chemistry","2017","82","15","8085","8110","10.1021/acs.joc.7b01348","","","0.71073","MoKα","","0.1058","0.0579","","","0.1402","0.1645","","","","","","0.992","","","","has coordinates","236276","2020-10-21","18:00:00",""
"4037522","11.7967","0.0003","15.6496","0.0004","17.021","0.0004","90","","98.243","0.001","90","","3109.85","0.13","100","2","100","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","871","","","- C33 H21 B F15 N S -","- C33 H21 B F15 N S -","- C132 H84 B4 F60 N4 S4 -","4","1","","Issaian, Adena; Faizi, Darius J.; Bailey, Johnathan O.; Mayer, Peter; Berionni, Guillaume; Singleton, Daniel A.; Blum, Suzanne A.","Mechanistic Studies of Formal Thioboration Reactions of Alkynes.","The Journal of organic chemistry","2017","82","15","8165","8178","10.1021/acs.joc.7b01500","","","0.71073","MoKα","","0.0505","0.0381","","","0.0848","0.0906","","","","","","1.051","","","","has coordinates","236278","2020-10-21","18:00:00",""
"4037523","9.8635","0.0002","18.7943","0.0005","14.1422","0.0003","90","","92.769","0.001","90","","2618.59","0.1","100","2","100","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","843","","","- C30 H12 B F15 S -","- C30 H12 B F15 S -","- C120 H48 B4 F60 S4 -","4","1","","Issaian, Adena; Faizi, Darius J.; Bailey, Johnathan O.; Mayer, Peter; Berionni, Guillaume; Singleton, Daniel A.; Blum, Suzanne A.","Mechanistic Studies of Formal Thioboration Reactions of Alkynes.","The Journal of organic chemistry","2017","82","15","8165","8178","10.1021/acs.joc.7b01500","","","0.71073","MoKα","","0.0424","0.0333","","","0.0838","0.0901","","","","","","1.061","","","","has coordinates","236278","2020-10-21","18:00:00",""
"4037524","10.053","0.007","17.077","0.014","18.207","0.014","113.715","0.013","98.367","0.003","99.656","0.013","2742","4","103","","103","","","","","","","","","4","P -1","-P 1","2","","","","- C67 H47 Cl7 S4 -","- C67 H47 Cl7 S4 -","- C134 H94 Cl14 S8 -","2","1","","Fujikawa, Takao; Segawa, Yasutomo; Itami, Kenichiro","Laterally π-Extended Dithia[6]helicenes with Heptagons: Saddle-Helix Hybrid Molecules.","The Journal of organic chemistry","2017","82","15","7745","7749","10.1021/acs.joc.7b01540","","","0.71075","MoKα","","0.0997","0.0635","","","0.1759","0.1922","","","","","","1.025","","","","has coordinates,has disorder","236280","2020-10-21","18:00:00",""
"4037525","20.5308","0.001","18.073","0.007","15.785","0.007","90","","127.463","0.008","90","","4649","3","123","","123","","","","","","","","","3","C 1 2/c 1","-C 2yc","15","","","","- C66 H50 S4 -","- C66 H50 S4 -","- C264 H200 S16 -","4","0.5","","Fujikawa, Takao; Segawa, Yasutomo; Itami, Kenichiro","Laterally π-Extended Dithia[6]helicenes with Heptagons: Saddle-Helix Hybrid Molecules.","The Journal of organic chemistry","2017","82","15","7745","7749","10.1021/acs.joc.7b01540","","","0.71075","MoKα","","0.0613","0.0458","","","0.1191","0.1263","","","","","","0.954","","","","has coordinates","236280","2020-10-21","18:00:00",""
"4037526","10.1911","0.0007","10.8544","0.0009","16.4245","0.0013","78.465","0.007","87.134","0.006","75.928","0.006","1726.7","0.2","293","2","293.15","","","","","","","","","5","P -1","-P 1","2","","","","- C18 H15 F N2 O5 -","- C18 H15 F N2 O5 -","- C72 H60 F4 N8 O20 -","4","2","","Miao, Maozhong; Luo, Yi; Xu, Huaping; Jin, Mengchao; Chen, Zhengkai; Xu, Jianfeng; Ren, Hongjun","Strain-Promoted Nitration of 3-Cyclopropylideneprop-2-en-1-ones and the Application for the Synthesis of Pyrroles.","The Journal of organic chemistry","2017","82","23","12224","12237","10.1021/acs.joc.7b02087","","","0.71073","MoKα","","0.0869","0.0501","","","0.1086","0.1324","","","","","","1.013","","","","has coordinates","236282","2020-10-21","18:00:00",""
"4037527","11.2067","0.001","9.8995","0.0007","12.7175","0.0008","90","","92.537","0.007","90","","1409.51","0.18","293","2","293.15","","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C16 H13 N O4 -","- C16 H13 N O4 -","- C64 H52 N4 O16 -","4","1","","Miao, Maozhong; Luo, Yi; Xu, Huaping; Jin, Mengchao; Chen, Zhengkai; Xu, Jianfeng; Ren, Hongjun","Strain-Promoted Nitration of 3-Cyclopropylideneprop-2-en-1-ones and the Application for the Synthesis of Pyrroles.","The Journal of organic chemistry","2017","82","23","12224","12237","10.1021/acs.joc.7b02087","","","0.71073","MoKα","","0.0708","0.0456","","","0.0986","0.1162","","","","","","1.029","","","","has coordinates","236282","2020-10-21","18:00:00",""
"4037528","8.1086","0.0008","9.7037","0.001","11.3963","0.0012","108.463","0.01","90.621","0.008","108.39","0.009","800.98","0.16","293","2","293.15","","","","","","","","","5","P -1","-P 1","2","","","","- C18 H18 N O2 S -","- C18 H18 N O2 S -","- C36 H36 N2 O4 S2 -","2","1","","Miao, Maozhong; Luo, Yi; Xu, Huaping; Jin, Mengchao; Chen, Zhengkai; Xu, Jianfeng; Ren, Hongjun","Strain-Promoted Nitration of 3-Cyclopropylideneprop-2-en-1-ones and the Application for the Synthesis of Pyrroles.","The Journal of organic chemistry","2017","82","23","12224","12237","10.1021/acs.joc.7b02087","","","0.71073","MoKα","","0.113","0.0817","","","0.2263","0.2667","","","","","","1.036","","","","has coordinates","236282","2020-10-21","18:00:00",""
"4037529","13.5394","0.0007","5.6134","0.0002","19.1987","0.001","90","","107.79","0.006","90","","1389.37","0.12","293","2","","","","","","","","","","3","I 1 2 1","I 2y","5","","","","- C18 H16 O2 -","- C18 H16 O2 -","- C72 H64 O8 -","4","1","","Miao, Maozhong; Luo, Yi; Xu, Huaping; Jin, Mengchao; Chen, Zhengkai; Xu, Jianfeng; Ren, Hongjun","Strain-Promoted Nitration of 3-Cyclopropylideneprop-2-en-1-ones and the Application for the Synthesis of Pyrroles.","The Journal of organic chemistry","2017","82","23","12224","12237","10.1021/acs.joc.7b02087","","x-ray","1.54184","CuKα","","0.0392","0.0371","","","0.1011","0.104","","","","","","1.0305","","","","has coordinates","236282","2020-10-21","18:00:00",""
"4038946","11.154","0.0005","14.2902","0.0006","19.7538","0.0009","100.214","0.002","90.119","0.002","95.774","0.002","3082.4","0.2","150","","150","","","","","","","","Synthesized by the authors. See text","5","P -1","-P 1","2","","6,6',6'',6'''-[6,12-dihydroindeno[1,2-b]fluorene -6,6,12,12-tetrayltetrakis(4,1-phenylene)] tetrakis(1,3,5-triazine-2,4-diamine) 1,4-dioxane solvate dimethyl sulfoxide solvate","","- C108 H162 N20 O26 S8 -","- C108 H162 N20 O26 S8 -","- C108 H162 N20 O26 S8 -","1","0.5","","Beaudoin, Daniel; Blair-Pereira, Joao-Nicolas; Langis-Barsetti, Sophie; Maris, Thierry; Wuest, James D.","Predictably Ordered Open Hydrogen-Bonded Networks Built from Indeno[1,2-b]fluorenes.","The Journal of organic chemistry","2017","82","16","8536","8547","10.1021/acs.joc.7b01333","","","1.54178","CuKα","","0.1664","0.1488","","","0.4111","0.4329","","","","","","1.796","","","","has coordinates,has disorder","260363","2021-01-02","04:07:30",""
"4038947","7.8092","0.0003","17.4192","0.0007","6.8514","0.0003","90","","95.335","0.002","90","","927.96","0.07","100","","100","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","[1,2,5]thiadiazolo[3',4':5,6]naphtho[1,2-c][1,2,5]thiadiazole","","- C10 H4 N4 S2 -","- C10 H4 N4 S2 -","- C40 H16 N16 S8 -","4","1","","Langis-Barsetti, Sophie; Maris, Thierry; Wuest, James D.","Molecular Organization of 2,1,3-Benzothiadiazoles in the Solid State.","The Journal of organic chemistry","2017","82","","5034","5045","10.1021/acs.joc.6b02778","","x-ray","1.54178","CuKα","","0.0501","0.0492","","","0.1643","0.1653","","","","","","1.142","","","","has coordinates","260366","2021-01-02","15:12:25",""
"4038948","3.8045","0.0001","9.6098","0.0003","16.4052","0.0004","90","","92.4211","0.0014","90","","599.25","0.03","150","","150","","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","[1,2,5]thiadiazolo[3',4':5,6]anthra[1,2-c][1,2,5]thiadiazole-6,12-dione","","- C14 H4 N4 O2 S2 -","- C14 H4 N4 O2 S2 -","- C28 H8 N8 O4 S4 -","2","0.5","","Langis-Barsetti, Sophie; Maris, Thierry; Wuest, James D.","Molecular Organization of 2,1,3-Benzothiadiazoles in the Solid State.","The Journal of organic chemistry","2017","82","","5034","5045","10.1021/acs.joc.6b02778","","x-ray","1.34139","GaKα","","0.049","0.0458","","","0.1244","0.128","","","","","","1.127","","","","has coordinates","260367","2021-01-02","15:12:37",""
"4038949","13.1602","0.0007","12.283","0.0006","14.3308","0.0007","90","","111.651","0.002","90","","2153.09","0.19","100","","100","","","","","","","","","4","P 1 2/c 1","-P 2yc","13","","10,10'-spirobi[[1,2,5]thiadiazolo[3',4':6,7] fluoreno[2,3-c][1,2,5]thiadiazole]","","- C25 H8 N8 S4 -","- C25 H8 N8 S4 -","- C100 H32 N32 S16 -","4","1","","Langis-Barsetti, Sophie; Maris, Thierry; Wuest, James D.","Molecular Organization of 2,1,3-Benzothiadiazoles in the Solid State.","The Journal of organic chemistry","2017","82","","5034","5045","10.1021/acs.joc.6b02778","","x-ray","1.34139","GaKα","","0.0565","0.054","","","0.1294","0.1308","","","","","","1.06","","","","has coordinates","260368","2021-01-02","15:12:52",""
"4038950","16.3407","0.0003","16.3407","0.0003","19.0557","0.0004","90","","90","","90","","5088.22","0.17","100","","100","","","","","","","","","4","I -4 2 d","I -4 2bw","122","","6,16,25-trithia-5,7,15,17,24,26-hexaazaoctacyclo [9.9.9.02,10.04,8.012,20.014,18.021,29.023,27]nonacosa -2,4,7,9,12,14,17,19,21,23,26,28-dodecaene dimethyl sulfoxide solvate","","- C20 H8 N6 S3 -","- C20 H8 N6 S3 -","- C160 H64 N48 S24 -","8","0.5","","Langis-Barsetti, Sophie; Maris, Thierry; Wuest, James D.","Molecular Organization of 2,1,3-Benzothiadiazoles in the Solid State.","The Journal of organic chemistry","2017","82","","5034","5045","10.1021/acs.joc.6b02778","","x-ray","1.34139","GaKα","","0.0377","0.036","","","0.1051","0.1066","","","","","","1.106","","","","has coordinates","260369","2021-01-02","15:13:02",""
"4038951","18.9035","0.0009","18.9035","0.0009","18.9035","0.0009","90","","90","","90","","6755","0.6","100","","100","","","","","","","","","4","P a -3","-P 2ac 2ab 3","205","","bis(6,16,25-trithia-5,7,15,17,24,26-hexaazaoctacyclo [9.9.9.02,10.04,8.012,20.014,18.021,29.023,27] nonacosa-2(10),3,8,12(20),13,18,21(29),22,27-nonaene) C60 fullerene mesitylene solvate","","- C109 H28 N12 S6 -","- C109.014 H28.0016 N12 S6 -","- C436.055 H112.006 N48 S24 -","4","0.166667","","Langis-Barsetti, Sophie; Maris, Thierry; Wuest, James D.","Molecular Organization of 2,1,3-Benzothiadiazoles in the Solid State.","The Journal of organic chemistry","2017","82","","5034","5045","10.1021/acs.joc.6b02778","","x-ray","1.34139","GaKα","","0.1284","0.1142","","","0.2762","0.2868","","","","","","1.083","","","","has coordinates,has disorder","260370","2021-01-02","15:13:46",""
"4038952","19.504","0.0003","19.504","0.0003","19.504","0.0003","90","","90","","90","","7419.4","0.2","100","","100","","","","","","","","","4","P a -3","-P 2ac 2ab 3","205","","bis(6,16,25-trithia-5,7,15,17,24,26-hexaazaoctacyclo [9.9.9.02,10.04,8.012,20.014,18.021,29.023,27]nonacosa -2(10),3,8,12(20),13,18,21(29),22,27-nonaene) C70 fullerene carbon disulfide solvate","","- C113 H16 N12 S12 -","- C112.976 H16 N12 S12 -","- C451.905 H64 N48 S48 -","4","0.166667","","Langis-Barsetti, Sophie; Maris, Thierry; Wuest, James D.","Molecular Organization of 2,1,3-Benzothiadiazoles in the Solid State.","The Journal of organic chemistry","2017","82","","5034","5045","10.1021/acs.joc.6b02778","","x-ray","1.34139","GaKα","","0.0686","0.0641","","","0.1724","0.1774","","","","","","1.208","","","","has coordinates,has disorder","260371","2021-01-02","15:14:12",""
"4038956","9.8661","0.0002","10.2913","0.0003","10.9629","0.0003","74.475","0.002","67.802","0.002","67.57","0.002","942.68","0.05","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C16 H36 N14 O26 Sm2 -","- C16 H36 N14 O26 Sm2 -","- C16 H36 N14 O26 Sm2 -","1","0.5","","Netreba, E.E.; Sarnit, E.A.; Shabanov, S.V.; Velikozhon, A.A.","New binuclear bis(2,4,6,8-tetramethyl-2,4,6,8-tetraazobicyclo(3.3.0)octane-3,7-dione-O,O')-tetraaqua-hexakis(nitrato-O,O')-disamarium(III) complex: Synthesis and crystal structure","Russian Journal of Inorganic Chemistry","2017","62","5","654","658","10.1134/S0036023617050175","","x-ray","0.71073","MoKα","","0.0155","0.0146","","","0.0378","0.0381","","","","","","1.135","","","","has coordinates","282194","2023-04-02","09:49:38",""
"4038958","55.6158","0.0017","15.6656","0.0005","8.4689","0.0004","90","","90","","90","","7378.6","0.5","298","2","298","2","","","","","","","","5","F d d 2","F 2 -2d","43","","","","- C43 H28 Cl3 N4 O2 -","- C43 H28 Cl3 N4 O2 -","- C344 H224 Cl24 N32 O16 -","8","0.5","","Vasin, V.A.; Popkova, Yu.A.; Bezrukova, E.V.; Razin, V.V.; Somov, N.V.","Cycloadducts of Phenylethynyl Trifluoromethyl Sulfone with Diphenyldiazomethane and 9-Diazofluorene and Their Transformations under Conditions of Van AlphenHttel Rearrangement","Russian Journal of Organic Chemistry","2017","53","3","393","397","10.1134/S1070428017030137","","x-ray","0.71073","MoKα","","0.0937","0.072","","","0.1641","0.1759","","","","","","1.08","","","","has coordinates","269574","2021-10-05","10:03:09",""
"4038974","11.686","0.005","12.634","0.005","24.0993","0.001","90","","93.38","0.007","90","","3552","2","100","2","100","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C35 H30 Br N4 O6 Re -","- C35 H30 Br N4 O6 Re -","- C140 H120 Br4 N16 O24 Re4 -","4","1","","Bonello, R. Owen; Pitak, Mateusz B.; Coles, Simon J.; Hallett, Andrew J.; Fallis, Ian A.; Pope, Simon J.A.","Synthesis and characterisation of phosphorescent rhenium(I) complexes of hydroxy- and methoxy-substituted imidazo[4,5- f ]-1,10-phenanthroline ligands","Journal of Organometallic Chemistry","2017","841","","39","47","10.1016/j.jorganchem.2017.04.021","","","0.71075","MoKα","","0.0825","0.0742","","","0.162","0.166","","","","","","1.318","","","","has coordinates,has disorder","272282","2022-01-27","10:03:39",""
"4038975","11.1587","0.0008","13.0479","0.001","13.1431","0.001","111.784","0.008","110.74","0.008","97.685","0.007","1582.4","0.3","100","2","100","2","","","","","","","","6","P -1","-P 1","2","","","","- C34 H28 Br N4 O5 Re -","- C34 H28 Br N4 O5 Re -","- C68 H56 Br2 N8 O10 Re2 -","2","1","","Bonello, R. Owen; Pitak, Mateusz B.; Coles, Simon J.; Hallett, Andrew J.; Fallis, Ian A.; Pope, Simon J.A.","Synthesis and characterisation of phosphorescent rhenium(I) complexes of hydroxy- and methoxy-substituted imidazo[4,5- f ]-1,10-phenanthroline ligands","Journal of Organometallic Chemistry","2017","841","","39","47","10.1016/j.jorganchem.2017.04.021","","","0.71075","MoKα","","0.0412","0.0333","","","0.0797","0.0828","","","","","","1.01","","","","has coordinates","272283","2022-01-27","10:03:51",""
"4086756","7.7823","0.0004","12.9312","0.0007","14.5972","0.0007","107.693","0.002","90.109","0.002","98.8","0.002","1381.19","0.12","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","","","- C27 H31 Co N4 Si -","- C27 H31 Co N4 Si -","- C54 H62 Co2 N8 Si2 -","2","1","","Léonard, Nadia G.; Bezdek, Máté J.; Chirik, Paul J.","Cobalt-Catalyzed C(sp2)‒H Borylation with an Air-Stable, Readily Prepared Terpyridine Cobalt(II) Bis(acetate) Precatalyst","Organometallics","2017","36","1","142","","10.1021/acs.organomet.6b00630","","","1.54178","CuKα","","0.0352","0.0348","","","0.0861","0.0864","","","","","","1.069","","","","has coordinates","191373","2020-10-21","18:00:00",""
"4086757","30.55","0.0014","30.55","0.0014","8.2057","0.0004","90","","90","","120","","6632.4","0.5","100","2","100","2","","","","","","","","5","R -3 :H","-R 3","148","","","","- C20 H36 B2 Co O12 -","- C20 H36 B2 Co O12 -","- C180 H324 B18 Co9 O108 -","9","0.5","","Léonard, Nadia G.; Bezdek, Máté J.; Chirik, Paul J.","Cobalt-Catalyzed C(sp2)‒H Borylation with an Air-Stable, Readily Prepared Terpyridine Cobalt(II) Bis(acetate) Precatalyst","Organometallics","2017","36","1","142","","10.1021/acs.organomet.6b00630","","","0.71073","MoKα","","0.0386","0.0369","","","0.1165","0.1178","","","","","","1.112","","","","has coordinates","191373","2020-10-21","18:00:00",""
"4086811","11.475","0.002","16.524","0.003","19.999","0.004","90","","105.14","0.03","90","","3660.4","1.3","140.15","","140.15","","","","","","","","","8","P 1 21/n 1","-P 2yn","14","","","","- C31 H40 Cl3 D F6 O6 P2 Pd -","- C31 H40 Cl3 D F6 O6 P2 Pd -","- C124 H160 Cl12 D4 F24 O24 P8 Pd4 -","4","1","","Nobbs, James D.; Low, Choon Heng; Stubbs, Ludger P.; Wang, Cun; Drent, Eite; van Meurs, Martin","Isomerizing Methoxycarbonylation of Alkenes to Esters Using a Bis(phosphorinone)xylene Palladium Catalyst","Organometallics","2017","36","2","391","","10.1021/acs.organomet.6b00813","","","0.71073","MoKα","","0.0514","0.0485","","","0.1259","0.1311","","","","","","1.068","","","","has coordinates","193615","2020-10-21","18:00:00",""
"4086812","12.164","0.002","20.755","0.004","12.422","0.003","90","","104.83","0.03","90","","3031.6","1.1","140.15","","140.15","","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C27 H42 Cl4 O2 P2 Pd -","- C27 H42 Cl4 O2 P2 Pd -","- C108 H168 Cl16 O8 P8 Pd4 -","4","1","","Nobbs, James D.; Low, Choon Heng; Stubbs, Ludger P.; Wang, Cun; Drent, Eite; van Meurs, Martin","Isomerizing Methoxycarbonylation of Alkenes to Esters Using a Bis(phosphorinone)xylene Palladium Catalyst","Organometallics","2017","36","2","391","","10.1021/acs.organomet.6b00813","","","0.71073","MoKα","","0.0651","0.0569","","","0.1369","0.1469","","","","","","1.163","","","","has coordinates","193615","2020-10-21","18:00:00",""
"4086816","25.996","0.002","21.874","0.002","25.178","0.002","90","","116.311","0.0013","90","","12833.9","1.8","100","","100","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C142 H174.61 Mn2 N4 O9 -","- C142 H174.607 Mn2 N4 O9 -","- C568 H698.428 Mn8 N16 O36 -","4","1","","Agnew, Douglas W.; Moore, Curtis E.; Rheingold, Arnold L.; Figueroa, Joshua S.","Controlled cis Labilization of CO from Manganese(I) Mixed Carbonyl/Isocyanide Complexes: An Entry Point to Coordinatively Unsaturated Metallo-Lewis Acids","Organometallics","2017","36","2","363","","10.1021/acs.organomet.6b00792","","","0.71073","MoKα","","0.0811","0.0614","","","0.1594","0.1739","","","","","","1.024","","","","has coordinates,has disorder","191363","2020-10-21","18:00:00",""
"4086817","15.7361","0.0003","17.6996","0.0003","26.0679","0.0005","90","","102.639","0.001","90","","7084.6","0.2","100","2","100","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C78 H100 Mn N3 O6 -","- C78 H100 Mn N3 O6 -","- C312 H400 Mn4 N12 O24 -","4","1","","Agnew, Douglas W.; Moore, Curtis E.; Rheingold, Arnold L.; Figueroa, Joshua S.","Controlled cis Labilization of CO from Manganese(I) Mixed Carbonyl/Isocyanide Complexes: An Entry Point to Coordinatively Unsaturated Metallo-Lewis Acids","Organometallics","2017","36","2","363","","10.1021/acs.organomet.6b00792","","x-ray","0.71073","MoKα","","0.1061","0.0892","","","0.2284","0.2413","","","","","","1.083","","","","has coordinates,has disorder","191363","2020-10-21","18:00:00",""
"4086818","25.384","0.003","16.256","0.002","49.409","0.006","90","","101.988","0.006","90","","19944","4","100","","100","","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C104 H106 B F24 Mn N2 O4 -","- C104 H106 B F24 Mn N2 O4 -","- C832 H848 B8 F192 Mn8 N16 O32 -","8","2","","Agnew, Douglas W.; Moore, Curtis E.; Rheingold, Arnold L.; Figueroa, Joshua S.","Controlled cis Labilization of CO from Manganese(I) Mixed Carbonyl/Isocyanide Complexes: An Entry Point to Coordinatively Unsaturated Metallo-Lewis Acids","Organometallics","2017","36","2","363","","10.1021/acs.organomet.6b00792","","x-ray","0.71073","MoKα","","0.1591","0.1376","","","0.3216","0.3348","","","","","","1.19","","","","has coordinates,has disorder","191363","2020-10-21","18:00:00",""
"4086819","20.545","0.0004","16.6493","0.0003","20.6945","0.0004","90","","117.225","0.001","90","","6294.6","0.2","100","2","100","","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C69 H79 F3 Mn N2 O5.5 -","- C69 H79 F3 Mn N2 O5.5 -","- C276 H316 F12 Mn4 N8 O22 -","4","1","","Agnew, Douglas W.; Moore, Curtis E.; Rheingold, Arnold L.; Figueroa, Joshua S.","Controlled cis Labilization of CO from Manganese(I) Mixed Carbonyl/Isocyanide Complexes: An Entry Point to Coordinatively Unsaturated Metallo-Lewis Acids","Organometallics","2017","36","2","363","","10.1021/acs.organomet.6b00792","","","0.71073","MoKα","","0.0533","0.044","","","0.1127","0.1191","","","","","","1.023","","","","has coordinates,has disorder","191363","2020-10-21","18:00:00",""
"4086820","13.1452","0.0007","15.6184","0.0009","15.2093","0.0007","90","","93.025","0.002","90","","3118.2","0.3","100","2","100","","","","","","","","","8","P 1 21 1","P 2yb","4","(k2-F3CSO3BH3)-Mn(CO)2(CNArDipp2)2","","","- C65 H77 B F3 Mn N2 O5 S -","- C65 H77 B F3 Mn N2 O5 S -","- C130 H154 B2 F6 Mn2 N4 O10 S2 -","2","1","","Agnew, Douglas W.; Moore, Curtis E.; Rheingold, Arnold L.; Figueroa, Joshua S.","Controlled cis Labilization of CO from Manganese(I) Mixed Carbonyl/Isocyanide Complexes: An Entry Point to Coordinatively Unsaturated Metallo-Lewis Acids","Organometallics","2017","36","2","363","","10.1021/acs.organomet.6b00792","","x-ray","0.71073","MoKα","","0.0587","0.0447","","","0.0794","0.0841","","","","","","1.022","","","","has coordinates,has disorder","191363","2020-10-21","18:00:00",""
"4086821","12.8109","0.0016","22.635","0.003","15.62","0.002","90","","106.705","0.007","90","","4338.3","1","100","2","100","","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C49 H37 B F15 N -","- C49 H37 B F15 N -","- C196 H148 B4 F60 N4 -","4","1","","Agnew, Douglas W.; Moore, Curtis E.; Rheingold, Arnold L.; Figueroa, Joshua S.","Controlled cis Labilization of CO from Manganese(I) Mixed Carbonyl/Isocyanide Complexes: An Entry Point to Coordinatively Unsaturated Metallo-Lewis Acids","Organometallics","2017","36","2","363","","10.1021/acs.organomet.6b00792","","","1.54178","CuKα","","0.0558","0.0422","","","0.0999","0.1084","","","","","","1.047","","","","has coordinates","191363","2020-10-21","18:00:00",""
"4086822","16.862","0.002","16.736","0.002","41.454","0.005","90","","100.02","0.002","90","","11520","2","273","2","273.15","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C66 H77 Mn N2 O4 -","- C66 H77 Mn N2 O4 -","- C528 H616 Mn8 N16 O32 -","8","2","","Agnew, Douglas W.; Moore, Curtis E.; Rheingold, Arnold L.; Figueroa, Joshua S.","Controlled cis Labilization of CO from Manganese(I) Mixed Carbonyl/Isocyanide Complexes: An Entry Point to Coordinatively Unsaturated Metallo-Lewis Acids","Organometallics","2017","36","2","363","","10.1021/acs.organomet.6b00792","","","0.71073","MoKα","","0.1216","0.0927","","","0.197","0.2109","","","","","","1.119","","","","has coordinates,has disorder","191363","2020-10-21","18:00:00",""
"4086823","12.2792","0.0015","16.609","0.002","19.63","0.003","97.684","0.004","91.435","0.004","96.967","0.004","3934.7","0.9","100","","100","","","","","","","","","5","P -1","-P 1","2","","","","- C80 H99 Mn N2 O7 -","- C80 H99 Mn N2 O7 -","- C160 H198 Mn2 N4 O14 -","2","1","","Agnew, Douglas W.; Moore, Curtis E.; Rheingold, Arnold L.; Figueroa, Joshua S.","Controlled cis Labilization of CO from Manganese(I) Mixed Carbonyl/Isocyanide Complexes: An Entry Point to Coordinatively Unsaturated Metallo-Lewis Acids","Organometallics","2017","36","2","363","","10.1021/acs.organomet.6b00792","","x-ray","0.71073","MoKα","","0.1034","0.057","","","0.1253","0.1436","","","","","","1.019","","","","has coordinates,has disorder","191363","2020-10-21","18:00:00",""
"4086824","19.5867","0.0017","15.1995","0.0013","23.5502","0.0017","90","","96.737","0.0012","90","","6962.7","1","100","","100","","","","","","","","","7","C 1 c 1","C -2yc","9","","","","- C73 H92.47 F3 Mn N2 O7 S -","- C73 H92.468 F3 Mn N2 O7 S -","- C292 H369.872 F12 Mn4 N8 O28 S4 -","4","1","","Agnew, Douglas W.; Moore, Curtis E.; Rheingold, Arnold L.; Figueroa, Joshua S.","Controlled cis Labilization of CO from Manganese(I) Mixed Carbonyl/Isocyanide Complexes: An Entry Point to Coordinatively Unsaturated Metallo-Lewis Acids","Organometallics","2017","36","2","363","","10.1021/acs.organomet.6b00792","","x-ray","0.71073","MoKα","","0.038","0.0353","","","0.0877","0.0897","","","","","","1.025","","","","has coordinates,has disorder","191363","2020-10-21","18:00:00",""
"4086825","14.7941","0.0008","24.7433","0.0013","26.507","0.0014","97.846","0.001","98.642","0.001","90.602","0.001","9498.3","0.9","100","","100","","","","","","","","","7","P -1","-P 1","2","","","","- C89 H88 B F15 Mn N2 O4.5 -","- C89 H88 B F15 Mn N2 O4.5 -","- C356 H352 B4 F60 Mn4 N8 O18 -","4","2","","Agnew, Douglas W.; Moore, Curtis E.; Rheingold, Arnold L.; Figueroa, Joshua S.","Controlled cis Labilization of CO from Manganese(I) Mixed Carbonyl/Isocyanide Complexes: An Entry Point to Coordinatively Unsaturated Metallo-Lewis Acids","Organometallics","2017","36","2","363","","10.1021/acs.organomet.6b00792","","x-ray","0.71073","MoKα","","0.0661","0.0452","","","0.112","0.1224","","","","","","1.027","","","","has coordinates,has disorder","191363","2020-10-21","18:00:00",""
"4086826","19.142","0.005","27.61","0.008","27.492","0.008","90","","104.977","0.004","90","","14036","7","100","","100","","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C68 H84 K Mn N2 O3 -","- C68 H84 K Mn N2 O3 -","- C544 H672 K8 Mn8 N16 O24 -","8","2","","Agnew, Douglas W.; Moore, Curtis E.; Rheingold, Arnold L.; Figueroa, Joshua S.","Controlled cis Labilization of CO from Manganese(I) Mixed Carbonyl/Isocyanide Complexes: An Entry Point to Coordinatively Unsaturated Metallo-Lewis Acids","Organometallics","2017","36","2","363","","10.1021/acs.organomet.6b00792","","x-ray","0.71073","MoKα","","0.1258","0.0862","","","0.1982","0.2178","","","","","","1.065","","","","has coordinates,has disorder","191363","2020-10-21","18:00:00",""
"4086827","46.2914","0.001","16.5737","0.0004","16.9876","0.0004","90","","104.91","0.001","90","","12594.4","0.5","100","","100","","","","","","","","","5","C 1 2/c 1","-C 2yc","15","Mn(k2-benzoate)CO2(CNArDipp2)2","","","- C74 H82 Mn N2 O4 -","- C74 H82 Mn N2 O4 -","- C592 H656 Mn8 N16 O32 -","8","1","","Agnew, Douglas W.; Moore, Curtis E.; Rheingold, Arnold L.; Figueroa, Joshua S.","Controlled cis Labilization of CO from Manganese(I) Mixed Carbonyl/Isocyanide Complexes: An Entry Point to Coordinatively Unsaturated Metallo-Lewis Acids","Organometallics","2017","36","2","363","","10.1021/acs.organomet.6b00792","","","0.71073","MoKα","","0.0703","0.0439","","","0.091","0.1002","","","","","","1.015","","","","has coordinates","191363","2020-10-21","18:00:00",""
"4086838","15.7139","0.0006","10.2274","0.0004","17.83","0.0006","90","","114.011","0.001","90","","2617.54","0.17","100","2","100","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","YNp3(thf)2","","","- C23 H49 O2 Y -","- C23 H49 O2 Y -","- C92 H196 O8 Y4 -","4","1","","Levine, Daniel S.; Tilley, T. Don; Andersen, Richard A.","Evidence for the Existence of Group 3 Terminal Methylidene Complexes","Organometallics","2017","36","1","80","","10.1021/acs.organomet.6b00394","","","0.71073","MoKα","","0.0734","0.0611","","","0.1216","0.1247","","","","","","1.32","","","","has coordinates","191374","2020-10-21","18:00:00",""
"4086839","11.2268","0.0004","18.2514","0.0007","18.4495","0.0007","95.262","0.002","107.167","0.002","96.588","0.002","3556.6","0.2","173","2","173","2","","","","","","","","5","P -1","-P 1","2","(PNP-tBu)YNp2","","","- C32 H64 N P2 Y -","- C32 H64 N P2 Y -","- C128 H256 N4 P8 Y4 -","4","2","","Levine, Daniel S.; Tilley, T. Don; Andersen, Richard A.","Evidence for the Existence of Group 3 Terminal Methylidene Complexes","Organometallics","2017","36","1","80","","10.1021/acs.organomet.6b00394","","","0.71073","MoKα","","0.0744","0.0429","","","0.0719","0.0804","","","","","","1.026","","","","has coordinates","191374","2020-10-21","18:00:00",""
"4086845","13.3411","0.0002","17.9771","0.0003","19.2094","0.0003","90","","90","","90","","4607.07","0.13","85","2","85","2","","","","","","","","7","P b c a","-P 2ac 2ab","61","","","","- C23 H18 B F3 N6 Ni O2 -","- C23 H18 B F3 N6 Ni O2 -","- C184 H144 B8 F24 N48 Ni8 O16 -","8","1","","Meucci, Elizabeth A.; Camasso, Nicole M.; Sanford, Melanie S.","An Organometalllic NiIV Complex That Participates in Competing Transmetalation and C(sp2)‒O Bond-Forming Reductive Elimination Reactions","Organometallics","2017","36","2","247","","10.1021/acs.organomet.6b00810","","","1.54184","CuKα","","0.0948","0.0885","","","0.2591","0.2707","","","","","","1.104","","","","has coordinates,has disorder","191365","2020-10-21","18:00:00",""
"4086846","10.3964","0.0002","10.9403","0.0002","12.4107","0.0003","97.449","0.001","92.634","0.001","97.785","0.001","1383.88","0.05","85","2","85","2","","","","","","","","5","P -1","-P 1","2","","","","- C30 H24 F10 N2 Pd -","- C30 H24 F10 N2 Pd -","- C60 H48 F20 N4 Pd2 -","2","1","","Lotz, Monica D.; Camasso, Nicole M.; Canty, Allan J.; Sanford, Melanie S.","Role of Silver Salts in Palladium-Catalyzed Arene and Heteroarene C‒H Functionalization Reactions","Organometallics","2017","36","1","165","","10.1021/acs.organomet.6b00437","","","0.71073","MoKα","","0.029","0.0262","","","0.0668","0.0689","","","","","","1.057","","","","has coordinates","191375","2020-10-21","18:00:00",""
"4086847","25.163","0.004","7.4436","0.0012","15.304","0.003","90","","106.544","0.002","90","","2747.8","0.8","100","2","100","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","dichloropyridinyl(quinolin-8-yl)gallium(III); 2","","","- C14 H11 Cl2 Ga N2 -","- C14 H11 Cl2 Ga N2 -","- C112 H88 Cl16 Ga8 N16 -","8","1","","Son, Jung-Ho; Tamang, Sem Raj; Fostvedt, Jade I.; Hoefelmeyer, James D.","Dehydrodechlorination of Methylene Chloride, Chloroform, and Chlorodiphenylmethane in the Presence of Ga/N Lewis Pairs","Organometallics","2017","36","2","474","","10.1021/acs.organomet.6b00867","","","0.71073","MoKα","","0.0709","0.0636","","","0.1874","0.1923","","","","","","1.132","","","","has coordinates","191367","2020-10-21","18:00:00",""
"4086848","9.146","0.002","10.708","0.003","16.445","0.004","104.094","0.002","98.179","0.002","110.072","0.002","1421.4","0.6","100","2","100","2","","","","","","","","5","P -1","-P 1","2","bis-µ-(quinolin-8-yl)-µ-chloro-dichlorodigallium(III) tetra-chlorogallate chloroform solvate ; 4","","","- C19 H13 Cl10 Ga3 N2 -","- C19 H13 Cl10 Ga3 N2 -","- C38 H26 Cl20 Ga6 N4 -","2","1","","Son, Jung-Ho; Tamang, Sem Raj; Fostvedt, Jade I.; Hoefelmeyer, James D.","Dehydrodechlorination of Methylene Chloride, Chloroform, and Chlorodiphenylmethane in the Presence of Ga/N Lewis Pairs","Organometallics","2017","36","2","474","","10.1021/acs.organomet.6b00867","","","0.71073","MoKα","","0.059","0.0552","","","0.146","0.149","","","","","","1.044","","","","has coordinates","191367","2020-10-21","18:00:00",""
"4086849","6.9531","0.0012","9.447","0.0016","9.6421","0.0016","71.449","0.002","73.839","0.002","69.285","0.001","551.72","0.16","100","2","100","2","","","","","","","","5","P -1","-P 1","2","trichloro(quinolinium-8-yl)gallate(III) zwitterion; 5","","","- C9 H7 Cl3 Ga N -","- C9 H7 Cl3 Ga N -","- C18 H14 Cl6 Ga2 N2 -","2","1","","Son, Jung-Ho; Tamang, Sem Raj; Fostvedt, Jade I.; Hoefelmeyer, James D.","Dehydrodechlorination of Methylene Chloride, Chloroform, and Chlorodiphenylmethane in the Presence of Ga/N Lewis Pairs","Organometallics","2017","36","2","474","","10.1021/acs.organomet.6b00867","","","0.71073","MoKα","","0.0379","0.0252","","","0.0478","0.0537","","","","","","1.074","","","","has coordinates","191367","2020-10-21","18:00:00",""
"4086850","7.955","0.008","16.333","0.015","11.686","0.011","90","","92.669","0.015","90","","1517","3","100","2","100","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","dichloro(2-methylpiridinyl)(quinolin-8-yl)gallium(III); 3","","","- C15 H13 Cl2 Ga N2 -","- C15 H13 Cl2 Ga N2 -","- C60 H52 Cl8 Ga4 N8 -","4","1","","Son, Jung-Ho; Tamang, Sem Raj; Fostvedt, Jade I.; Hoefelmeyer, James D.","Dehydrodechlorination of Methylene Chloride, Chloroform, and Chlorodiphenylmethane in the Presence of Ga/N Lewis Pairs","Organometallics","2017","36","2","474","","10.1021/acs.organomet.6b00867","","","0.71073","MoKα","","0.0343","0.0304","","","0.0629","0.064","","","","","","1.252","","","","has coordinates","191367","2020-10-21","18:00:00",""
"4086851","14.744","0.011","13.879","0.011","12.485","0.01","90","","98.629","0.011","90","","2526","3","100","2","100","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","8-quinolinium tetrachlorogallate(III); 7","","","- C9 H8 Cl4 Ga N -","- C9 H8 Cl4 Ga N -","- C72 H64 Cl32 Ga8 N8 -","8","2","","Son, Jung-Ho; Tamang, Sem Raj; Fostvedt, Jade I.; Hoefelmeyer, James D.","Dehydrodechlorination of Methylene Chloride, Chloroform, and Chlorodiphenylmethane in the Presence of Ga/N Lewis Pairs","Organometallics","2017","36","2","474","","10.1021/acs.organomet.6b00867","","","0.71073","MoKα","","0.032","0.0241","","","0.0545","0.0604","","","","","","1.088","","","","has coordinates","191367","2020-10-21","18:00:00",""
"4086852","7.5788","0.0009","9.4807","0.0012","15.0912","0.0019","75.331","0.001","79.329","0.001","69.002","0.001","974","0.2","100","2","100","2","","","","","","","","5","P -1","-P 1","2","[(py)2H+][trichloro(quinolin-8-yl)gallate(III)]; 6","","","- C19 H17 Cl3 Ga N3 -","- C19 H17 Cl3 Ga N3 -","- C38 H34 Cl6 Ga2 N6 -","2","1","","Son, Jung-Ho; Tamang, Sem Raj; Fostvedt, Jade I.; Hoefelmeyer, James D.","Dehydrodechlorination of Methylene Chloride, Chloroform, and Chlorodiphenylmethane in the Presence of Ga/N Lewis Pairs","Organometallics","2017","36","2","474","","10.1021/acs.organomet.6b00867","","","0.71073","MoKα","","0.0279","0.0232","","","0.0587","0.0608","","","","","","1.047","","","","has coordinates","191367","2020-10-21","18:00:00",""
"4086864","13.7378","0.0005","10.5966","0.0003","20.1933","0.0006","90","","93.803","0.003","90","","2933.15","0.16","180","2","180","","","","","","","","synthesis as described","6","P 1 21/n 1","-P 2yn","14","","","","- C29 H39 B N6 Nb O -","- C29 H39 B N6 Nb O -","- C116 H156 B4 N24 Nb4 O4 -","4","1","","Oulié, Pascal; Dinoi, Chiara; Li, Chen; Sournia-Saquet, Alix; Jacob, Kane; Vendier, Laure; Etienne, Michel","CH Bond Activation of Unsaturated Hydrocarbons by a Niobium Methyl Cyclopropyl Precursor. Cyclopropyl Ring Opening and Alkyne Coupling Reaction","Organometallics","2017","36","1","53","","10.1021/acs.organomet.6b00506","","","0.71073","MoKα","","0.0973","0.0484","","","0.1014","0.1096","","","","","","1.003","","","","has coordinates","191376","2020-10-21","18:00:00",""
"4086865","12.0657","0.0002","16.5205","0.0002","14.9268","0.0002","90","","109.051","0.002","90","","2812.41","0.08","180","2","180","2","","","","","","","synthesis as described","5","P 1 21/n 1","-P 2yn","14","","","","- C27 H40 B N6 Nb -","- C27 H40 B N6 Nb -","- C108 H160 B4 N24 Nb4 -","4","1","","Oulié, Pascal; Dinoi, Chiara; Li, Chen; Sournia-Saquet, Alix; Jacob, Kane; Vendier, Laure; Etienne, Michel","CH Bond Activation of Unsaturated Hydrocarbons by a Niobium Methyl Cyclopropyl Precursor. Cyclopropyl Ring Opening and Alkyne Coupling Reaction","Organometallics","2017","36","1","53","","10.1021/acs.organomet.6b00506","","x-ray","0.71073","MoKα","","0.0326","0.0266","","","0.0699","0.0721","","","","","","1.046","","","","has coordinates,has disorder","191376","2020-10-21","18:00:00",""
"4086866","11.0651","0.0005","14.9952","0.0007","17.7145","0.0009","90","","93.684","0.002","90","","2933.2","0.2","180","2","180","","","","","","","","synthesis as described","5","P 1 21/n 1","-P 2yn","14","","","","- C30 H38 B N6 Nb -","- C30 H38 B N6 Nb -","- C120 H152 B4 N24 Nb4 -","4","1","","Oulié, Pascal; Dinoi, Chiara; Li, Chen; Sournia-Saquet, Alix; Jacob, Kane; Vendier, Laure; Etienne, Michel","CH Bond Activation of Unsaturated Hydrocarbons by a Niobium Methyl Cyclopropyl Precursor. Cyclopropyl Ring Opening and Alkyne Coupling Reaction","Organometallics","2017","36","1","53","","10.1021/acs.organomet.6b00506","","","0.71073","MoKα","","0.0701","0.0457","","","0.1065","0.1186","","","","","","1.071","","","","has coordinates","191376","2020-10-21","18:00:00",""
"4086867","11.4037","0.001","15.838","0.0013","19.2775","0.0016","90","","105.849","0.004","90","","3349.4","0.5","173","2","173","2","","","","","","","synthesis as described","6","P 1 21/c 1","-P 2ybc","14","","","","- C32 H42 B Fe N6 Nb -","- C32 H42 B Fe N6 Nb -","- C128 H168 B4 Fe4 N24 Nb4 -","4","1","","Oulié, Pascal; Dinoi, Chiara; Li, Chen; Sournia-Saquet, Alix; Jacob, Kane; Vendier, Laure; Etienne, Michel","CH Bond Activation of Unsaturated Hydrocarbons by a Niobium Methyl Cyclopropyl Precursor. Cyclopropyl Ring Opening and Alkyne Coupling Reaction","Organometallics","2017","36","1","53","","10.1021/acs.organomet.6b00506","","","0.71073","MoKα","","0.0809","0.0494","","","0.1131","0.124","","","","","","1.002","","","","has coordinates","191376","2020-10-21","18:00:00",""
"4086868","8.278","0.0006","13.7905","0.0009","15.8037","0.0011","76.156","0.003","81.396","0.002","85.43","0.003","1730.2","0.2","180","2","180","2","","","","","","","synthesis as described","6","P -1","-P 1","2","","","","- C28 H33 B F5 N6 Nb -","- C28 H33 B F5 N6 Nb -","- C56 H66 B2 F10 N12 Nb2 -","2","1","","Oulié, Pascal; Dinoi, Chiara; Li, Chen; Sournia-Saquet, Alix; Jacob, Kane; Vendier, Laure; Etienne, Michel","CH Bond Activation of Unsaturated Hydrocarbons by a Niobium Methyl Cyclopropyl Precursor. Cyclopropyl Ring Opening and Alkyne Coupling Reaction","Organometallics","2017","36","1","53","","10.1021/acs.organomet.6b00506","","","0.71073","MoKα","","0.0839","0.0531","","","0.1199","0.1289","","","","","","1.012","","","","has coordinates,has disorder","191376","2020-10-21","18:00:00",""
"4086879","43.406","0.002","13.9274","0.0006","20.4289","0.0008","90","","109.573","0.0013","90","","11636.3","0.9","103","2","103","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C65 H68 O1.5 P3 Ru -","- C65 H68 O1.5 P3 Ru -","- C520 H544 O12 P24 Ru8 -","8","1","","Ogiwara, Yohei; Miyake, Masashi; Kochi, Takuya; Kakiuchi, Fumitoshi","Syntheses of RuHCl(CO)(PAr3)3 and RuH2(CO)(PAr3)3 Containing Various Triarylphosphines and Their Use for Arylation of Sterically Congested Aromatic C‒H Bonds","Organometallics","2017","36","1","159","","10.1021/acs.organomet.6b00540","","","0.71075","MoKα","","0.0856","0.0553","","","0.1153","0.1393","","","","","","1.076","","","","has coordinates,has disorder","191377","2020-10-21","18:00:00",""
"4086880","12.5915","0.0016","14.542","0.002","16.172","0.002","86.893","0.004","73.638","0.004","84.811","0.003","2828.3","0.6","103","2","103","2","","","","","","","","5","P -1","-P 1","2","","","","- C64 H65 O10 P3 Ru -","- C64 H65 O10 P3 Ru -","- C128 H130 O20 P6 Ru2 -","2","1","","Ogiwara, Yohei; Miyake, Masashi; Kochi, Takuya; Kakiuchi, Fumitoshi","Syntheses of RuHCl(CO)(PAr3)3 and RuH2(CO)(PAr3)3 Containing Various Triarylphosphines and Their Use for Arylation of Sterically Congested Aromatic C‒H Bonds","Organometallics","2017","36","1","159","","10.1021/acs.organomet.6b00540","","","0.71075","MoKα","","0.1161","0.068","","","0.1365","0.1703","","","","","","1.004","","","","has coordinates","191377","2020-10-21","18:00:00",""
"4086881","18.3564","0.0015","10.4578","0.0008","25.427","0.002","90","","110.869","0.0017","90","","4560.9","0.6","103","2","103","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C55 H38 F9 O P3 Ru -","- C55 H38 F9 O P3 Ru -","- C220 H152 F36 O4 P12 Ru4 -","4","1","","Ogiwara, Yohei; Miyake, Masashi; Kochi, Takuya; Kakiuchi, Fumitoshi","Syntheses of RuHCl(CO)(PAr3)3 and RuH2(CO)(PAr3)3 Containing Various Triarylphosphines and Their Use for Arylation of Sterically Congested Aromatic C‒H Bonds","Organometallics","2017","36","1","159","","10.1021/acs.organomet.6b00540","","","0.71075","MoKα","","0.1116","0.0604","","","0.1062","0.1232","","","","","","1.005","","","","has coordinates","191377","2020-10-21","18:00:00",""
"4086882","11.9431","0.0003","7.5386","0.0002","13.3145","0.0004","90","","95.759","0.003","90","","1192.71","0.06","100","2","100","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C10 H13 Cl2 N Pt -","- C10 H13 Cl2 N Pt -","- C40 H52 Cl8 N4 Pt4 -","4","1","","Quirós, M. Teresa; Muñoz, María Paz; Christensen, Jeppe; Coles, Simon J.","Twists and Turns of Platinum-Allene Complexes: NMR Techniques for the Study of the Dynamic Behavior in Solution","Organometallics","2017","36","2","318","","10.1021/acs.organomet.6b00778","","x-ray","0.71073","MoKα","K-L~3~","0.0375","0.0361","","","0.0953","0.0962","","","","","","1.09","","","","has coordinates","191369","2020-10-21","18:00:00",""
"4086883","7.7902","0.0002","7.8501","0.0002","11.5978","0.0003","101.272","0.002","104.328","0.002","91.438","0.002","671.92","0.03","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","","","- C12 H17 Cl2 N Pt -","- C12 H17 Cl2 N Pt -","- C24 H34 Cl4 N2 Pt2 -","2","1","","Quirós, M. Teresa; Muñoz, María Paz; Christensen, Jeppe; Coles, Simon J.","Twists and Turns of Platinum-Allene Complexes: NMR Techniques for the Study of the Dynamic Behavior in Solution","Organometallics","2017","36","2","318","","10.1021/acs.organomet.6b00778","","x-ray","0.71073","MoKα","K-L~3~","0.0192","0.0189","","","0.0491","0.0493","","","","","","1.064","","","","has coordinates","191369","2020-10-21","18:00:00",""
"4086885","8.9593","0.0009","10.9676","0.0011","13.2131","0.0013","88.334","0.002","75.903","0.002","84.385","0.002","1253.2","0.2","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","","","- C26.5 H32 Cl2 N2 Pd -","- C26.5 H32 Cl2 N2 Pd -","- C53 H64 Cl4 N4 Pd2 -","2","1","","García-López, José Antonio; Frutos-Pedreño, Roberto; Bautista, Delia; Saura-Llamas, Isabel; Vicente, José","Norbornadiene as a Building Block for the Synthesis of Linked Benzazocinones and Benzazocinium Salts through Tetranuclear Carbopalladated Intermediates","Organometallics","2017","36","2","372","","10.1021/acs.organomet.6b00795","","","0.71073","MoKα","","0.0328","0.0316","","","0.073","0.0736","","","","","","1.118","","","","has coordinates,has disorder","191370","2020-10-21","18:00:00",""
"4086886","13.9021","0.0007","21.0322","0.001","25.4325","0.0013","68.0191","0.0015","74.2299","0.0017","87.0352","0.0017","6625.7","0.6","100","2","100","2","","","","","","","","6","P -1","-P 1","2","","","","- C57 H78 Cl4 N4 O Pd4 -","- C57 H78 Cl4 N4 O Pd4 -","- C228 H312 Cl16 N16 O4 Pd16 -","4","2","","García-López, José Antonio; Frutos-Pedreño, Roberto; Bautista, Delia; Saura-Llamas, Isabel; Vicente, José","Norbornadiene as a Building Block for the Synthesis of Linked Benzazocinones and Benzazocinium Salts through Tetranuclear Carbopalladated Intermediates","Organometallics","2017","36","2","372","","10.1021/acs.organomet.6b00795","","","0.71073","MoKα","","0.1037","0.0564","","","0.1158","0.1318","","","","","","1.018","","","","has coordinates,has disorder","191370","2020-10-21","18:00:00",""
"4086887","19.9213","0.0011","12.9178","0.0006","22.6699","0.0012","90","","96.9047","0.0017","90","","5791.5","0.5","100","2","100","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C65 H78 Cl2 N6 O Pd2 -","- C65 H78 Cl2 N6 O Pd2 -","- C260 H312 Cl8 N24 O4 Pd8 -","4","1","","García-López, José Antonio; Frutos-Pedreño, Roberto; Bautista, Delia; Saura-Llamas, Isabel; Vicente, José","Norbornadiene as a Building Block for the Synthesis of Linked Benzazocinones and Benzazocinium Salts through Tetranuclear Carbopalladated Intermediates","Organometallics","2017","36","2","372","","10.1021/acs.organomet.6b00795","","","0.71073","MoKα","","0.0395","0.0304","","","0.0701","0.0739","","","","","","1.051","","","","has coordinates","191370","2020-10-21","18:00:00",""
"4086888","9.5722","0.0008","14.7572","0.0012","15.5993","0.0013","70.643","0.002","81.038","0.002","82.093","0.002","2044.8","0.3","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","","","- C38 H61 Cl5 N4 O3 -","- C38 H61 Cl5 N4 O3 -","- C76 H122 Cl10 N8 O6 -","2","1","","García-López, José Antonio; Frutos-Pedreño, Roberto; Bautista, Delia; Saura-Llamas, Isabel; Vicente, José","Norbornadiene as a Building Block for the Synthesis of Linked Benzazocinones and Benzazocinium Salts through Tetranuclear Carbopalladated Intermediates","Organometallics","2017","36","2","372","","10.1021/acs.organomet.6b00795","","","0.71073","MoKα","","0.1467","0.0793","","","0.168","0.1928","","","","","","1.036","","","","has coordinates","191370","2020-10-21","18:00:00",""
"4086889","25.4325","0.0019","25.4325","0.0019","22.69","0.002","90","","90","","120","","12709.9","1.7","100","2","100","2","","","","","","","","5","P -3 1 c","-P 3 2c","163","","","","- C37 H53 Cl N4 Pd -","- C37 H53 Cl N4 Pd -","- C444 H636 Cl12 N48 Pd12 -","12","1","","García-López, José Antonio; Frutos-Pedreño, Roberto; Bautista, Delia; Saura-Llamas, Isabel; Vicente, José","Norbornadiene as a Building Block for the Synthesis of Linked Benzazocinones and Benzazocinium Salts through Tetranuclear Carbopalladated Intermediates","Organometallics","2017","36","2","372","","10.1021/acs.organomet.6b00795","","","0.71073","MoKα","","0.0909","0.0529","","","0.1225","0.1543","","","","","","1.079","","","","has coordinates,has disorder","191370","2020-10-21","18:00:00",""
"4086890","12.8442","0.0014","18.297","0.002","23.998","0.003","90","","93.051","0.002","90","","5631.8","1.1","100","2","100","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C30 H35 Cl3 N2 O2 -","- C30 H35 Cl3 N2 O2 -","- C240 H280 Cl24 N16 O16 -","8","2","","García-López, José Antonio; Frutos-Pedreño, Roberto; Bautista, Delia; Saura-Llamas, Isabel; Vicente, José","Norbornadiene as a Building Block for the Synthesis of Linked Benzazocinones and Benzazocinium Salts through Tetranuclear Carbopalladated Intermediates","Organometallics","2017","36","2","372","","10.1021/acs.organomet.6b00795","","","0.71073","MoKα","","0.0866","0.0705","","","0.1517","0.1598","","","","","","1.146","","","","has coordinates,has disorder","191370","2020-10-21","18:00:00",""
"4086891","8.4313","0.0006","12.8023","0.0008","15.1161","0.0009","113.8","0.006","90.996","0.005","101.075","0.006","1456.87","0.18","180.01","0.1","180.01","0.1","","","","","","","","6","P -1","-P 1","2","","","","- C31 H37 F3 N2 O Si -","- C31 H37 F3 N2 O Si -","- C62 H74 F6 N4 O2 Si2 -","2","1","","Luo, Fei-Xian; Cao, Zhi-Chao; Zhao, Hong-Wei; Wang, Ding; Zhang, Yun-Fei; Xu, Xing; Shi, Zhang-Jie","Nickel-Catalyzed Oxidative Coupling of Unactivated C(sp3)‒H Bonds in Aliphatic Amides with Terminal Alkynes","Organometallics","2017","36","1","18","","10.1021/acs.organomet.6b00529","","","0.71073","MoKα","","0.097","0.0569","","","0.1107","0.1341","","","","","","1.038","","","","has coordinates,has disorder","191378","2020-10-21","18:00:00",""
"4086899","13.0991","0.0013","14.6391","0.0003","15.606","0.005","116.309","0.012","101.83","0.05","104.59","0.04","2417","1.6","123","2","123","2","","","","","","","","7","P -1","-P 1","2","PhTh-HG2","","","- C56 H55 Cl2 N2 O Ru S2 -","- C56 H55 Cl2 N2 O Ru S2 -","- C112 H110 Cl4 N4 O2 Ru2 S4 -","2","1","","Teator, Aaron J.; Shao, Huiling; Lu, Gang; Liu, Peng; Bielawski, Christopher W.","A Photoswitchable Olefin Metathesis Catalyst","Organometallics","2017","36","2","490","","10.1021/acs.organomet.6b00913","","","1.54187","CuKα","","0.0856","0.0503","","","0.1033","0.119","","","","","","1.006","","","","has coordinates","191366","2020-10-21","18:00:00",""
"4086900","9.1804","0.0004","9.3731","0.0003","15.6427","0.0008","99.009","0.002","97.803","0.002","108.922","0.002","1232.27","0.09","100","1","100","1","","","","","","","","4","P -1","-P 1","2","","","","- C27 H38 Be N2 -","- C27 H38 Be N2 -","- C54 H76 Be2 N4 -","2","1","","Bayram, Melike; Naglav, Dominik; Wölper, Christoph; Schulz, Stephan","Syntheses and Structures of Homo- and Heteroleptic Beryllium Complexes Containing N,N′-Chelating Ligands","Organometallics","2017","","","","","10.1021/acs.organomet.6b00865","","","0.71073","MoKα","","0.0483","0.0425","","","0.1206","0.127","","","","","","1.016","","","","has coordinates","189915","2020-10-21","18:00:00",""
"4086901","20.0458","0.0016","9.0862","0.0007","17.6799","0.0014","90","","116.523","0.003","90","","2881.3","0.4","100","1","100","1","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C16 H46 Be N4 S2 Si4 -","- C16 H46 Be N4 S2 Si4 -","- C64 H184 Be4 N16 S8 Si16 -","4","0.5","","Bayram, Melike; Naglav, Dominik; Wölper, Christoph; Schulz, Stephan","Syntheses and Structures of Homo- and Heteroleptic Beryllium Complexes Containing N,N′-Chelating Ligands","Organometallics","2017","","","","","10.1021/acs.organomet.6b00865","","","0.71073","MoKα","","0.0291","0.0239","","","0.0648","0.0696","","","","","","1.123","","","","has coordinates","211332","2020-10-21","18:00:00",""
"4086902","23.05","0.0014","16.8166","0.0011","13.8919","0.0009","90","","90","","90","","5384.8","0.6","100","1","100","1","","","","","","","","4","P n a 21","P 2c -2n","33","","","","- C59 H90 Be N4 -","- C59 H90 Be N4 -","- C236 H360 Be4 N16 -","4","1","","Bayram, Melike; Naglav, Dominik; Wölper, Christoph; Schulz, Stephan","Syntheses and Structures of Homo- and Heteroleptic Beryllium Complexes Containing N,N′-Chelating Ligands","Organometallics","2017","","","","","10.1021/acs.organomet.6b00865","","","0.71073","MoKα","","0.0932","0.0598","","","0.1426","0.1634","","","","","","1.019","","","","has coordinates,has disorder","211332","2020-10-21","18:00:00",""
"4086903","14.2771","0.0004","19.1875","0.0005","20.5221","0.0006","90","","90","","90","","5621.9","0.3","100","1","100","1","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C62 H96 Be2 N4 O2 -","- C62 H96 Be2 N4 O2 -","- C248 H384 Be8 N16 O8 -","4","0.5","","Bayram, Melike; Naglav, Dominik; Wölper, Christoph; Schulz, Stephan","Syntheses and Structures of Homo- and Heteroleptic Beryllium Complexes Containing N,N′-Chelating Ligands","Organometallics","2017","","","","","10.1021/acs.organomet.6b00865","","","0.71073","MoKα","","0.0996","0.0571","","","0.1321","0.1607","","","","","","1.027","","","","has coordinates","189915","2020-10-21","18:00:00",""
"4086904","9.1586","0.0006","21.4825","0.0012","24.7691","0.0015","66.739","0.003","82.812","0.004","77.701","0.003","4369.9","0.5","100","2","100","2","","","","","","","","4","P -1","-P 1","2","","","","- C31 H48 Be N2 -","- C31 H48 Be N2 -","- C186 H288 Be6 N12 -","6","3","","Bayram, Melike; Naglav, Dominik; Wölper, Christoph; Schulz, Stephan","Syntheses and Structures of Homo- and Heteroleptic Beryllium Complexes Containing N,N′-Chelating Ligands","Organometallics","2017","","","","","10.1021/acs.organomet.6b00865","","","0.71073","MoKα","","0.1287","0.078","","","0.2104","0.2392","","","","","","1.43","","","","has coordinates,has disorder","211332","2020-10-21","18:00:00",""
"4086905","17.5157","0.0009","10.2844","0.0005","15.8238","0.0008","90","","108.9","0.001","90","","2696.8","0.2","100","2","100","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C96 H176 Fe4 N8 O8 P8 -","- C96 H176 Fe4 N8 O8 P8 -","- C96 H176 Fe4 N8 O8 P8 -","1","0.25","","Jayarathne, Upul; Zhang, Yuanyuan; Hazari, Nilay; Bernskoetter, Wesley H.","Selective Iron-Catalyzed Deaminative Hydrogenation of Amides","Organometallics","2017","36","2","409","","10.1021/acs.organomet.6b00816","","","0.71073","MoKα","","0.0253","0.0225","","","0.0558","0.057","","","","","","1.054","","","","has coordinates","191364","2020-10-21","18:00:00",""
"4086906","14.695","0.001","20.92","0.003","14.748","0.001","90","","113.27","0.02","90","","4165","1","173","2","173","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","no","","- C46 H58 N4 Pt2 -","- C46 H58 N4 Pt2 -","- C184 H232 N16 Pt8 -","4","1","","Esposito, Roberto; Calvanese, Luisa; Cucciolito, Maria Elena; D’Auria, Gabriella; Falcigno, Lucia; Fiorini, Valentina; Pezzella, Prisco; Roviello, Giuseppina; Stagni, Stefano; Talarico, Giovanni; Ruffo, Francesco","Oxidative Coupling of Imino, Amide Platinum(II) Complexes Yields Highly Conjugated Blue Dimers","Organometallics","2017","36","2","384","","10.1021/acs.organomet.6b00798","","","0.71073","MoKα","","0.0733","0.035","","","0.0526","0.0599","","","","","","0.978","","","","has coordinates","191368","2020-10-21","18:00:00",""
"4086907","26.862","0.003","22.2816","0.0019","27.235","0.003","90","","116.826","0.002","90","","14547","3","113","2","113","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C69 H90 Cu3 N6 P3 -","- C69 H90 Cu3 N6 P3 -","- C552 H720 Cu24 N48 P24 -","8","2","","Yuan, Jia; Zhu, Lizhao; Zhang, Jianying; Li, Jianfeng; Cui, Chunming","Sequential Addition of Phosphine to Alkynes for the Selective Synthesis of 1,2-Diphosphinoethanes under Catalysis. Well-Defined NHC-Copper Phosphides vs in Situ CuCl2/NHC Catalyst","Organometallics","2017","36","2","455","","10.1021/acs.organomet.6b00854","","","0.71073","MoKα","","0.0716","0.0597","","","0.164","0.1817","","","","","","0.681","","","","has coordinates,has disorder","191372","2020-10-21","18:00:00",""
"4086908","9.8792","0.0002","16.8405","0.0004","14.5041","0.0003","90","","103.473","0.003","90","","2346.65","0.09","223","2","223","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C29 H27 P Zr -","- C29 H27 P Zr -","- C116 H108 P4 Zr4 -","4","1","","Jian, Zhongbao; Daniliuc, Constantin G.; Kehr, Gerald; Erker, Gerhard","Frustrated Lewis Pair vs Metal‒Carbon σ-Bond Insertion Chemistry at an o-Phenylene-Bridged Cp2Zr+/PPh2 System","Organometallics","2017","36","2","424","","10.1021/acs.organomet.6b00828","","","0.71073","MoKα","","0.0593","0.0442","","","0.0846","0.0922","","","","","","1.064","","","","has coordinates,has disorder","191371","2020-10-21","18:00:00",""
"4086909","8.2924","0.0002","18.2221","0.0004","33.1878","0.0008","90","","92.805","0.001","90","","5008.8","0.2","223","2","223","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C56 H32 B F20 O P Zr -","- C56 H32 B F20 O P Zr -","- C224 H128 B4 F80 O4 P4 Zr4 -","4","1","","Jian, Zhongbao; Daniliuc, Constantin G.; Kehr, Gerald; Erker, Gerhard","Frustrated Lewis Pair vs Metal‒Carbon σ-Bond Insertion Chemistry at an o-Phenylene-Bridged Cp2Zr+/PPh2 System","Organometallics","2017","36","2","424","","10.1021/acs.organomet.6b00828","","","0.71073","MoKα","","0.0924","0.0581","","","0.1066","0.1227","","","","","","1.065","","","","has coordinates","191371","2020-10-21","18:00:00",""
"4086910","11.6551","0.0003","13.5587","0.0003","18.1762","0.0005","68.265","0.001","80.039","0.001","75.408","0.001","2571.92","0.11","100","2","100","2","","","","","","","","8","P -1","-P 1","2","","","","- C56 H32 B Cl2 F20 O P Zr -","- C56 H32 B Cl2 F20 O P Zr -","- C112 H64 B2 Cl4 F40 O2 P2 Zr2 -","2","1","","Jian, Zhongbao; Daniliuc, Constantin G.; Kehr, Gerald; Erker, Gerhard","Frustrated Lewis Pair vs Metal‒Carbon σ-Bond Insertion Chemistry at an o-Phenylene-Bridged Cp2Zr+/PPh2 System","Organometallics","2017","36","2","424","","10.1021/acs.organomet.6b00828","","","1.54178","CuKα","","0.0532","0.0395","","","0.0875","0.0929","","","","","","1.046","","","","has coordinates","191371","2020-10-21","18:00:00",""
"4086911","35.9058","0.0012","15.4285","0.0005","25.4582","0.0008","90","","132.665","0.001","90","","10370.4","0.6","100","2","100","2","","","","","","","","7","C 1 2/c 1","-C 2yc","15","","","","- C62 H32 B F20 O P Zr -","- C62 H32 B F20 O P Zr -","- C496 H256 B8 F160 O8 P8 Zr8 -","8","1","","Jian, Zhongbao; Daniliuc, Constantin G.; Kehr, Gerald; Erker, Gerhard","Frustrated Lewis Pair vs Metal‒Carbon σ-Bond Insertion Chemistry at an o-Phenylene-Bridged Cp2Zr+/PPh2 System","Organometallics","2017","36","2","424","","10.1021/acs.organomet.6b00828","","","0.71073","MoKα","","0.0321","0.0264","","","0.0629","0.0661","","","","","","1.042","","","","has coordinates","191371","2020-10-21","18:00:00",""
"4086912","13.1659","0.0002","15.0274","0.0003","15.4047","0.0003","79.974","0.001","67.015","0.001","70.741","0.002","2645.21","0.09","223","2","223","2","","","","","","","","7","P -1","-P 1","2","","","","- C61 H32 B F20 O P Zr -","- C61 H32 B F20 O P Zr -","- C122 H64 B2 F40 O2 P2 Zr2 -","2","1","","Jian, Zhongbao; Daniliuc, Constantin G.; Kehr, Gerald; Erker, Gerhard","Frustrated Lewis Pair vs Metal‒Carbon σ-Bond Insertion Chemistry at an o-Phenylene-Bridged Cp2Zr+/PPh2 System","Organometallics","2017","36","2","424","","10.1021/acs.organomet.6b00828","","","0.71073","MoKα","","0.0976","0.0713","","","0.1311","0.1499","","","","","","1.108","","","","has coordinates","191371","2020-10-21","18:00:00",""
"4086913","13.1323","0.0003","18.3346","0.0004","27.1714","0.0006","85.029","0.001","81.176","0.001","76.639","0.001","6280.9","0.2","223","2","223","2","","","","","","","","8","P -1","-P 1","2","","","","- C67 H35 B Cl F20 O P Zr -","- C67 H35 B Cl F20 O P Zr -","- C268 H140 B4 Cl4 F80 O4 P4 Zr4 -","4","2","","Jian, Zhongbao; Daniliuc, Constantin G.; Kehr, Gerald; Erker, Gerhard","Frustrated Lewis Pair vs Metal‒Carbon σ-Bond Insertion Chemistry at an o-Phenylene-Bridged Cp2Zr+/PPh2 System","Organometallics","2017","36","2","424","","10.1021/acs.organomet.6b00828","","","0.71073","MoKα","","0.1029","0.0666","","","0.1414","0.1576","","","","","","1.051","","","","has coordinates,has disorder","191371","2020-10-21","18:00:00",""
"4086914","19.7855","0.001","16.5114","0.0007","16.8379","0.0009","90","","114.612","0.002","90","","5001","0.4","105","2","105","2","","","","","","","","8","P 1 21/c 1","-P 2ybc","14","","","","- C55 H27.5 B Br0.5 Cl F20 P Zr -","- C55 H27.5 B Br0.5 Cl F20 P Zr -","- C220 H110 B4 Br2 Cl4 F80 P4 Zr4 -","4","1","","Jian, Zhongbao; Daniliuc, Constantin G.; Kehr, Gerald; Erker, Gerhard","Frustrated Lewis Pair vs Metal‒Carbon σ-Bond Insertion Chemistry at an o-Phenylene-Bridged Cp2Zr+/PPh2 System","Organometallics","2017","36","2","424","","10.1021/acs.organomet.6b00828","","","0.71073","MoKα","","0.0637","0.0451","","","0.089","0.0963","","","","","","1.124","","","","has coordinates,has disorder","191371","2020-10-21","18:00:00",""
"4086915","31.642","0.002","10.2351","0.0007","33.722","0.002","90","","109.339","0.002","90","","10305","1.1","100","2","100","2","","","","","","","","8","C 1 2/c 1","-C 2yc","15","","","","- C59 H29 B F20 N O P Zr -","- C59 H29 B F20 N O P Zr -","- C472 H232 B8 F160 N8 O8 P8 Zr8 -","8","1","","Jian, Zhongbao; Daniliuc, Constantin G.; Kehr, Gerald; Erker, Gerhard","Frustrated Lewis Pair vs Metal‒Carbon σ-Bond Insertion Chemistry at an o-Phenylene-Bridged Cp2Zr+/PPh2 System","Organometallics","2017","36","2","424","","10.1021/acs.organomet.6b00828","","","0.71073","MoKα","","0.0492","0.0375","","","0.0746","0.0785","","","","","","1.119","","","","has coordinates","191371","2020-10-21","18:00:00",""
"4086916","31.8669","0.0005","10.3393","0.0002","33.7492","0.0005","90","","107.608","0.001","90","","10598.8","0.3","223","2","223","2","","","","","","","","8","C 1 2/c 1","-C 2yc","15","","","","- C59 H29 B F20 N P S Zr -","- C59 H29 B F20 N P S Zr -","- C472 H232 B8 F160 N8 P8 S8 Zr8 -","8","1","","Jian, Zhongbao; Daniliuc, Constantin G.; Kehr, Gerald; Erker, Gerhard","Frustrated Lewis Pair vs Metal‒Carbon σ-Bond Insertion Chemistry at an o-Phenylene-Bridged Cp2Zr+/PPh2 System","Organometallics","2017","36","2","424","","10.1021/acs.organomet.6b00828","","","0.71073","MoKα","","0.085","0.0592","","","0.1089","0.1231","","","","","","1.062","","","","has coordinates","191371","2020-10-21","18:00:00",""
"4086917","11.3724","0.0011","16.2046","0.0014","19.6938","0.0019","76.795","0.002","76.52","0.003","86.72","0.003","3435.9","0.6","100","2","100","2","","","","","","","","7","P -1","-P 1","2","","","","- C65 H46 B F20 N2 P Zr -","- C65 H46 B F20 N2 P Zr -","- C130 H92 B2 F40 N4 P2 Zr2 -","2","1","","Jian, Zhongbao; Daniliuc, Constantin G.; Kehr, Gerald; Erker, Gerhard","Frustrated Lewis Pair vs Metal‒Carbon σ-Bond Insertion Chemistry at an o-Phenylene-Bridged Cp2Zr+/PPh2 System","Organometallics","2017","36","2","424","","10.1021/acs.organomet.6b00828","","","0.71073","MoKα","","0.0989","0.0757","","","0.1994","0.2122","","","","","","1.056","","","","has coordinates,has disorder","191371","2020-10-21","18:00:00",""
"4086918","17.8392","0.0003","15.5912","0.0002","22.7766","0.0004","90","","108.677","0.001","90","","6001.35","0.17","223","2","223","2","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C61 H30 B F20 O P Zr -","- C61 H30 B F20 O P Zr -","- C244 H120 B4 F80 O4 P4 Zr4 -","4","1","","Jian, Zhongbao; Daniliuc, Constantin G.; Kehr, Gerald; Erker, Gerhard","Frustrated Lewis Pair vs Metal‒Carbon σ-Bond Insertion Chemistry at an o-Phenylene-Bridged Cp2Zr+/PPh2 System","Organometallics","2017","36","2","424","","10.1021/acs.organomet.6b00828","","","0.71073","MoKα","","0.0908","0.0629","","","0.1274","0.138","","","","","","1.05","","","","has coordinates,has disorder","191371","2020-10-21","18:00:00",""
"4086919","16.1107","0.0011","15.4368","0.0011","13.7704","0.0012","90","","96.637","0.004","90","","3401.7","0.4","298","2","298","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C36 H47 N5 Ni O2 -","- C36 H47 N5 Ni O2 -","- C144 H188 N20 Ni4 O8 -","4","1","","Lee, Ting-Yu; Lin, Yi-Jen; Chang, Yuan-Zhen; Huang, Li-Shin; Ko, Bao-Tsan; Huang, Jui-Hsien","Nickel-Catalyzed Coupling of Carbon Dioxide with Cyclohexene Oxide by Well-Characterized Bis(N-Heterocyclic Carbene) Carbazolide Complexes","Organometallics","2017","","","","","10.1021/acs.organomet.6b00756","","","0.71073","MoKα","","0.1421","0.0647","","","0.1775","0.2089","","","","","","1.021","","","","has coordinates","190450","2020-10-21","18:00:00",""
"4086920","12.0427","0.0009","15.2385","0.0011","19.0981","0.0013","83.749","0.002","86.121","0.003","82.469","0.002","3448.8","0.4","150","2","150","2","","","","","","","","8","P -1","-P 1","2","","","","- C65 H82 Br0 Cl2 I N10 Ni2 O7 -","- C65 H82 Cl2 I N10 Ni2 O7 -","- C130 H164 Cl4 I2 N20 Ni4 O14 -","2","1","","Lee, Ting-Yu; Lin, Yi-Jen; Chang, Yuan-Zhen; Huang, Li-Shin; Ko, Bao-Tsan; Huang, Jui-Hsien","Nickel-Catalyzed Coupling of Carbon Dioxide with Cyclohexene Oxide by Well-Characterized Bis(N-Heterocyclic Carbene) Carbazolide Complexes","Organometallics","2017","","","","","10.1021/acs.organomet.6b00756","","","0.71073","MoKα","","0.0962","0.0765","","","0.205","0.2252","","","","","","1.025","","","","has coordinates,has disorder","190450","2020-10-21","18:00:00",""
"4086921","15.59","0.002","10.2595","0.0014","7.3952","0.001","90","","99.78","0.006","90","","1165.6","0.3","173","2","173","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","dimethylsila[1]ferrocenophane","","- C12 H14 Fe Si -","- C12 H14 Fe Si -","- C48 H56 Fe4 Si4 -","4","1","","Khozeimeh Sarbisheh, Elaheh; Bhattacharjee, Hridaynath; Cao, My Phan Thuy; Zhu, Jianfeng; Müller, Jens","How Strained are [1]Ferrocenophanes?","Organometallics","2017","36","3","614","","10.1021/acs.organomet.6b00808","","","0.71073","MoKα","","0.0686","0.0459","","","0.1139","0.1281","","","","","","1.039","","","","has coordinates","193623","2020-10-21","18:00:00",""
"4086922","6.573","0.003","20.212","0.008","15.576","0.006","90","","99.436","0.006","90","","2041.3","1.5","100","0.5","100","0.5","","","","","","","","6","P 1 21/n 1","-P 2yn","14","sjfbk31","","","- C17 H14 Cl4 N2 O4 Si -","- C17 H14 Cl4 N2 O4 Si -","- C68 H56 Cl16 N8 O16 Si4 -","4","1","","Koch, James G.; Brennessel, William W.; Kraft, Bradley M.","Neutral and Cationic Bis-Chelate Monoorganosilicon(IV) Complexes of 1-Hydroxy-2-pyridinone","Organometallics","2017","36","3","594","","10.1021/acs.organomet.6b00796","","","0.71073","MoKα","","0.0583","0.046","","","0.0846","0.0891","","","","","","1.071","","","","has coordinates,has disorder","193616","2020-10-21","18:00:00",""
"4086923","6.4942","0.0011","20.662","0.003","15.587","0.003","90","","97.834","0.004","90","","2072","0.6","100","0.5","100","0.5","","","","","","","","6","P 1 21/n 1","-P 2yn","14","sjfbk29","","","- C18 H16 Cl4 N2 O4 Si -","- C18 H16 Cl4 N2 O4 Si -","- C72 H64 Cl16 N8 O16 Si4 -","4","1","","Koch, James G.; Brennessel, William W.; Kraft, Bradley M.","Neutral and Cationic Bis-Chelate Monoorganosilicon(IV) Complexes of 1-Hydroxy-2-pyridinone","Organometallics","2017","36","3","594","","10.1021/acs.organomet.6b00796","","","0.71073","MoKα","","0.1005","0.0561","","","0.1123","0.1287","","","","","","1.013","","","","has coordinates,has disorder","193616","2020-10-21","18:00:00",""
"4086924","17.7","0.0008","7.4015","0.0003","13.3768","0.0006","90","","108.848","0.0009","90","","1658.48","0.13","100","0.5","100","0.5","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","sjfbk33","","","- C17 H15 Cl N2 O4 Si -","- C17 H15 Cl N2 O4 Si -","- C68 H60 Cl4 N8 O16 Si4 -","4","1","","Koch, James G.; Brennessel, William W.; Kraft, Bradley M.","Neutral and Cationic Bis-Chelate Monoorganosilicon(IV) Complexes of 1-Hydroxy-2-pyridinone","Organometallics","2017","36","3","594","","10.1021/acs.organomet.6b00796","","","0.71073","MoKα","","0.0659","0.0421","","","0.0953","0.1062","","","","","","1.032","","","","has coordinates,has disorder","193616","2020-10-21","18:00:00",""
"4086925","11.6172","0.0007","12.1492","0.0007","12.8307","0.0007","90","","116.729","0.001","90","","1617.42","0.16","100","0.5","100","0.5","","","","","","","","6","P 1 21/n 1","-P 2yn","14","sjfbk34","","","- C12 H13 Cl3 N2 O4 Si -","- C12 H13 Cl3 N2 O4 Si -","- C48 H52 Cl12 N8 O16 Si4 -","4","1","","Koch, James G.; Brennessel, William W.; Kraft, Bradley M.","Neutral and Cationic Bis-Chelate Monoorganosilicon(IV) Complexes of 1-Hydroxy-2-pyridinone","Organometallics","2017","36","3","594","","10.1021/acs.organomet.6b00796","","","0.71073","MoKα","","0.0783","0.0461","","","0.0996","0.1135","","","","","","1.02","","","","has coordinates,has disorder","193616","2020-10-21","18:00:00",""
"4086926","25.893","0.009","12.562","0.005","13.006","0.005","90","","91.035","0.006","90","","4230","3","100","0.5","100","0.5","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","sjfbk28","","","- C13 H11 Cl7 D2 N2 O4 Si -","- C13 H11 Cl7 D2 N2 O4 Si -","- C104 H88 Cl56 D16 N16 O32 Si8 -","8","2","","Koch, James G.; Brennessel, William W.; Kraft, Bradley M.","Neutral and Cationic Bis-Chelate Monoorganosilicon(IV) Complexes of 1-Hydroxy-2-pyridinone","Organometallics","2017","36","3","594","","10.1021/acs.organomet.6b00796","","","0.71073","MoKα","","0.1033","0.08","","","0.1746","0.1857","","","","","","1.131","","","","has coordinates,has disorder","193616","2020-10-21","18:00:00",""
"4086927","21.883","0.0015","12.662","0.0008","12.8534","0.0009","90","","115.935","0.0012","90","","3202.8","0.4","100","0.5","100","0.5","","","","","","","","6","C 1 2/c 1","-C 2yc","15","sjfbk30","","","- C14 H17 Cl N2 O4 Si -","- C14 H17 Cl N2 O4 Si -","- C112 H136 Cl8 N16 O32 Si8 -","8","1","","Koch, James G.; Brennessel, William W.; Kraft, Bradley M.","Neutral and Cationic Bis-Chelate Monoorganosilicon(IV) Complexes of 1-Hydroxy-2-pyridinone","Organometallics","2017","36","3","594","","10.1021/acs.organomet.6b00796","","","0.71073","MoKα","","0.0892","0.0493","","","0.1055","0.1212","","","","","","1.019","","","","has coordinates,has disorder","193616","2020-10-21","18:00:00",""
"4086928","12.3387","0.0011","12.6566","0.0011","22.518","0.002","90","","90","","90","","3516.5","0.5","100","0.5","100","0.5","","","","","","","","6","P b c a","-P 2ac 2ab","61","sjfbk56","","","- C16 H21 Cl N2 O4 Si -","- C16 H21 Cl N2 O4 Si -","- C128 H168 Cl8 N16 O32 Si8 -","8","1","","Koch, James G.; Brennessel, William W.; Kraft, Bradley M.","Neutral and Cationic Bis-Chelate Monoorganosilicon(IV) Complexes of 1-Hydroxy-2-pyridinone","Organometallics","2017","36","3","594","","10.1021/acs.organomet.6b00796","","","0.71073","MoKα","","0.0839","0.0522","","","0.1257","0.1426","","","","","","1.031","","","","has coordinates,has disorder","193616","2020-10-21","18:00:00",""
"4086929","26.663","0.004","9.2503","0.0015","10.0619","0.0017","90","","90","","90","","2481.7","0.7","100","0.5","100","0.5","","","","","","","","7","P n n m","-P 2 2n","58","sjfbk53","","","- C22 H23 F3 N2 O8 S Si -","- C21.9998 H23 F2.9994 N2 O7.9994 S0.9998 Si -","- C87.9992 H92 F11.9976 N8 O31.9976 S3.9992 Si4 -","4","0.5","","Koch, James G.; Brennessel, William W.; Kraft, Bradley M.","Neutral and Cationic Bis-Chelate Monoorganosilicon(IV) Complexes of 1-Hydroxy-2-pyridinone","Organometallics","2017","36","3","594","","10.1021/acs.organomet.6b00796","","","0.71073","MoKα","","0.068","0.0469","","","0.1252","0.1395","","","","","","1.072","","","","has coordinates,has disorder","193616","2020-10-21","18:00:00",""
"4086930","6.8726","0.0015","12.061","0.003","19.864","0.004","90","","99.91","0.004","90","","1622","0.6","100","0.5","100","0.5","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","sjfbk58","","","- C17 H15 F N2 O4 Si -","- C17 H15 F N2 O4 Si -","- C68 H60 F4 N8 O16 Si4 -","4","1","","Koch, James G.; Brennessel, William W.; Kraft, Bradley M.","Neutral and Cationic Bis-Chelate Monoorganosilicon(IV) Complexes of 1-Hydroxy-2-pyridinone","Organometallics","2017","36","3","594","","10.1021/acs.organomet.6b00796","","","0.71073","MoKα","","0.0775","0.0542","","","0.1355","0.1482","","","","","","1.064","","","","has coordinates,has disorder","193616","2020-10-21","18:00:00",""
"4086931","24.91","0.009","25.153","0.009","7.516","0.003","90","","90","","90","","4709","3","100","0.5","100","0.5","","","","","","","","6","F d d 2","F 2 -2d","43","sjfbk54","","","- C11 H11 F N2 O4 Si -","- C11 H11 F N2 O4 Si -","- C176 H176 F16 N32 O64 Si16 -","16","1","","Koch, James G.; Brennessel, William W.; Kraft, Bradley M.","Neutral and Cationic Bis-Chelate Monoorganosilicon(IV) Complexes of 1-Hydroxy-2-pyridinone","Organometallics","2017","36","3","594","","10.1021/acs.organomet.6b00796","","","0.71073","MoKα","","0.0667","0.045","","","0.1006","0.1104","","","","","","1.042","","","","has coordinates,has disorder","193616","2020-10-21","18:00:00",""
"4086932","10.222","0.002","13.282","0.003","14.59","0.003","100.56","0.03","97.75","0.03","93.54","0.03","1921.9","0.7","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","","","- C45 H55 N3 O U -","- C45 H55 N3 O U -","- C90 H110 N6 O2 U2 -","2","1","","Kiernicki, John J.; Staun, Selena L.; Zeller, Matthias; Bart, Suzanne C.","A Uranium(IV) Triamide Species with Brønsted Basic Ligand Character: Metal‒Ligand Cooperativity in the f Block","Organometallics","2017","36","3","665","","10.1021/acs.organomet.6b00861","","","1.54178","CuKα","","0.0622","0.0593","","","0.1632","0.1664","","","","","","1.198","","","","has coordinates","193621","2020-10-21","18:00:00",""
"4086933","24.786","0.0004","16.8294","0.0003","16.5887","0.0003","90","","94.927","0.001","90","","6894.1","0.2","100","2","100","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C65 H106 Cl4 N6 O4 U2 -","- C65 H106 Cl4 N6 O4 U2 -","- C260 H424 Cl16 N24 O16 U8 -","4","0.5","","Kiernicki, John J.; Staun, Selena L.; Zeller, Matthias; Bart, Suzanne C.","A Uranium(IV) Triamide Species with Brønsted Basic Ligand Character: Metal‒Ligand Cooperativity in the f Block","Organometallics","2017","36","3","665","","10.1021/acs.organomet.6b00861","","","0.71073","MoKα","","0.0451","0.0279","","","0.055","0.0588","","","","","","1.019","","","","has coordinates,has disorder","193621","2020-10-21","18:00:00",""
"4086934","10.1409","0.0007","20.7383","0.0014","14.9554","0.0012","90","","102.04","0.005","90","","3076","0.4","150","2","150","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C32 H46 Cl N3 U -","- C32 H46 Cl N3 U -","- C128 H184 Cl4 N12 U4 -","4","1","","Kiernicki, John J.; Staun, Selena L.; Zeller, Matthias; Bart, Suzanne C.","A Uranium(IV) Triamide Species with Brønsted Basic Ligand Character: Metal‒Ligand Cooperativity in the f Block","Organometallics","2017","36","3","665","","10.1021/acs.organomet.6b00861","","","1.54178","CuKα","","0.0833","0.0624","","","0.158","0.1723","","","","","","1.143","","","","has coordinates","193621","2020-10-21","18:00:00",""
"4086935","9.3331","0.0002","16.9164","0.0003","22.2563","0.0003","90","","90","","90","","3513.88","0.11","100","2","100","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C38 H51 N3 S U -","- C38 H51 N3 S U -","- C152 H204 N12 S4 U4 -","4","1","","Kiernicki, John J.; Staun, Selena L.; Zeller, Matthias; Bart, Suzanne C.","A Uranium(IV) Triamide Species with Brønsted Basic Ligand Character: Metal‒Ligand Cooperativity in the f Block","Organometallics","2017","36","3","665","","10.1021/acs.organomet.6b00861","","","1.54178","CuKα","","0.0258","0.0258","","","0.0639","0.064","","","","","","1.043","","","","has coordinates","193621","2020-10-21","18:00:00",""
"4086936","15.895","0.003","25.898","0.005","19.461","0.004","90","","90.05","0.03","90","","8011","3","100","2","100","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C43 H63 N3 O U -","- C43 H63 N3 O U -","- C344 H504 N24 O8 U8 -","8","2","","Kiernicki, John J.; Staun, Selena L.; Zeller, Matthias; Bart, Suzanne C.","A Uranium(IV) Triamide Species with Brønsted Basic Ligand Character: Metal‒Ligand Cooperativity in the f Block","Organometallics","2017","36","3","665","","10.1021/acs.organomet.6b00861","","","1.54178","CuKα","","0.0889","0.0702","","","0.1813","0.2014","","","","","","1.175","","","","has coordinates","193621","2020-10-21","18:00:00",""
"4086937","10.241","0.006","11.957","0.007","13.912","0.008","82.53","0.02","81.92","0.02","87.58","0.03","1671.8","1.7","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","","","- C36 H55 N3 O U -","- C36 H55 N3 O U -","- C72 H110 N6 O2 U2 -","2","1","","Kiernicki, John J.; Staun, Selena L.; Zeller, Matthias; Bart, Suzanne C.","A Uranium(IV) Triamide Species with Brønsted Basic Ligand Character: Metal‒Ligand Cooperativity in the f Block","Organometallics","2017","36","3","665","","10.1021/acs.organomet.6b00861","","","0.71073","MoKα","","0.0652","0.047","","","0.1045","0.1161","","","","","","1.08","","","","has coordinates","193621","2020-10-21","18:00:00",""
"4086938","19.3202","0.0003","8.0126","0.0001","19.7901","0.0003","90","","108.013","0.0005","90","","2913.44","0.07","173","2","173","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C29 H43 Cl Fe Ni P2 -","- C29 H43 Cl Fe Ni P2 -","- C116 H172 Cl4 Fe4 Ni4 P8 -","4","1","","Clark, Jillian S. K.; Voth, Christopher N.; Ferguson, Michael J.; Stradiotto, Mark","Evaluating 1,1′-Bis(phosphino)ferrocene Ancillary Ligand Variants in the Nickel-Catalyzed C‒N Cross-Coupling of (Hetero)aryl Chlorides","Organometallics","2017","36","3","679","","10.1021/acs.organomet.6b00885","","","1.54178","CuKα","","0.0226","0.0218","","","0.0582","0.0586","","","","","","1.061","","","","has coordinates","193618","2020-10-21","18:00:00",""
"4086939","9.8517","0.0002","10.3571","0.0002","29.9335","0.0007","90","","98.04","0.002","90","","3024.24","0.11","100.01","0.1","100.01","0.1","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C33 H28 Br3 O Os P -","- C33 H28 Br3 O Os P -","- C132 H112 Br12 O4 Os4 P4 -","4","1","","Bai, Wei; Lee, Ka-Ho; Hung, Wai Yiu; Sung, Herman H. Y.; Williams, Ian D.; Lin, Zhenyang; Jia, Guochen","Reactions of Osmium Carbyne Complexes OsCl3(≡CR)(PPh3)2 (R = CH═CPh2, CH2Ar) with Bromine and Hydrogen Peroxide","Organometallics","2017","36","3","657","","10.1021/acs.organomet.6b00860","","x-ray","1.54184","CuKα","","0.0266","0.0226","","","0.0489","0.0506","","","","","","1.002","","","","has coordinates","193627","2020-10-21","18:00:00",""
"4086940","12.91509","0.00014","17.98521","0.00019","20.77311","0.00019","90","","91.5799","0.0008","90","","4823.36","0.09","100","0.1","100","0.1","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C56.25 H51.25 Cl4 O0.75 Os P2 -","- C56.25 H40 Cl4 O0.75 Os P2 -","- C225 H160 Cl16 O3 Os4 P8 -","4","1","","Bai, Wei; Lee, Ka-Ho; Hung, Wai Yiu; Sung, Herman H. Y.; Williams, Ian D.; Lin, Zhenyang; Jia, Guochen","Reactions of Osmium Carbyne Complexes OsCl3(≡CR)(PPh3)2 (R = CH═CPh2, CH2Ar) with Bromine and Hydrogen Peroxide","Organometallics","2017","36","3","657","","10.1021/acs.organomet.6b00860","","x-ray","0.71073","MoKα","","0.0208","0.0181","","","0.0403","0.0412","","","","","","1","","","","has coordinates,has disorder","193627","2020-10-21","18:00:00",""
"4086941","10.3625","0.0001","18.2899","0.0002","22.6189","0.0003","90","","94.752","0.001","90","","4272.2","0.08","173","","173","","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C48 H45 Cl3 O2 Os P2 -","- C48 H35 Cl3 O2 Os P2 -","- C192 H140 Cl12 O8 Os4 P8 -","4","1","","Bai, Wei; Lee, Ka-Ho; Hung, Wai Yiu; Sung, Herman H. Y.; Williams, Ian D.; Lin, Zhenyang; Jia, Guochen","Reactions of Osmium Carbyne Complexes OsCl3(≡CR)(PPh3)2 (R = CH═CPh2, CH2Ar) with Bromine and Hydrogen Peroxide","Organometallics","2017","36","3","657","","10.1021/acs.organomet.6b00860","","x-ray","1.54178","CuKα","","0.0405","0.0371","","","0.0966","0.0989","","","","","","1.003","","","","has coordinates,has disorder","193627","2020-10-21","18:00:00",""
"4086942","18.883","0.019","14.196","0.013","20","0.02","90","","116.714","0.014","90","","4789","8","273","","273","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C26 H36 N3 V -","- C26 H36 N3 V -","- C208 H288 N24 V8 -","8","2","","Nomura, Kotohiro; Mitsudome, Takato; Igarashi, Atsushi; Nagai, Go; Tsutsumi, Ken; Ina, Toshiaki; Omiya, Takuya; Takaya, Hikaru; Yamazoe, Seiji","Synthesis of (Adamantylimido)vanadium(V) Dimethyl Complex Containing (2-Anilidomethyl)pyridine Ligand and Selected Reactions: Exploring the Oxidation State of the Catalytically Active Species in Ethylene Dimerization","Organometallics","2017","36","3","530","","10.1021/acs.organomet.6b00727","","","0.71075","MoKα","","","0.0575","","","","0.138","","","","","","1.114","","","","has coordinates","193628","2020-10-21","18:00:00",""
"4086943","9.0936","0.0007","11.9514","0.0006","14.1528","0.0012","82.667","0.01","86.963","0.012","75.467","0.01","1476.4","0.2","273","","273","","","","","","","","","6","P -1","-P 1","2","","","","- C29 H33 F9 N3 O V -","- C29 H33 F9 N3 O V -","- C58 H66 F18 N6 O2 V2 -","2","1","","Nomura, Kotohiro; Mitsudome, Takato; Igarashi, Atsushi; Nagai, Go; Tsutsumi, Ken; Ina, Toshiaki; Omiya, Takuya; Takaya, Hikaru; Yamazoe, Seiji","Synthesis of (Adamantylimido)vanadium(V) Dimethyl Complex Containing (2-Anilidomethyl)pyridine Ligand and Selected Reactions: Exploring the Oxidation State of the Catalytically Active Species in Ethylene Dimerization","Organometallics","2017","36","3","530","","10.1021/acs.organomet.6b00727","","","0.71075","MoKα","","","0.0474","","","","0.1364","","","","","","1.089","","","","has coordinates","193628","2020-10-21","18:00:00",""
"4086944","9.709","0.006","9.814","0.006","16.63","0.01","73.62","0.017","73.712","0.019","78.33","0.03","1446.1","1.5","273","","273","","","","","","","","","6","P -1","-P 1","2","","","","- C29 H36 F6 N3 O V -","- C29 H36 F6 N3 O V -","- C58 H72 F12 N6 O2 V2 -","2","1","","Nomura, Kotohiro; Mitsudome, Takato; Igarashi, Atsushi; Nagai, Go; Tsutsumi, Ken; Ina, Toshiaki; Omiya, Takuya; Takaya, Hikaru; Yamazoe, Seiji","Synthesis of (Adamantylimido)vanadium(V) Dimethyl Complex Containing (2-Anilidomethyl)pyridine Ligand and Selected Reactions: Exploring the Oxidation State of the Catalytically Active Species in Ethylene Dimerization","Organometallics","2017","36","3","530","","10.1021/acs.organomet.6b00727","","","0.71075","MoKα","","","0.0487","","","","0.1425","","","","","","1.162","","","","has coordinates","193628","2020-10-21","18:00:00",""
"4086945","10.439","0.007","15.275","0.01","17.444","0.011","90","","97.308","0.007","90","","2759","3","273","","273","","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C29 H42 N3 O V -","- C29 H42 N3 O V -","- C116 H168 N12 O4 V4 -","4","1","","Nomura, Kotohiro; Mitsudome, Takato; Igarashi, Atsushi; Nagai, Go; Tsutsumi, Ken; Ina, Toshiaki; Omiya, Takuya; Takaya, Hikaru; Yamazoe, Seiji","Synthesis of (Adamantylimido)vanadium(V) Dimethyl Complex Containing (2-Anilidomethyl)pyridine Ligand and Selected Reactions: Exploring the Oxidation State of the Catalytically Active Species in Ethylene Dimerization","Organometallics","2017","36","3","530","","10.1021/acs.organomet.6b00727","","","0.71075","MoKα","","","0.0453","","","","0.1615","","","","","","1.074","","","","has coordinates","193628","2020-10-21","18:00:00",""
"4086946","15.3788","0.0003","14.9492","0.0011","9.2127","0.0002","90","","90","","90","","2118.01","0.17","85","2","85","2","","","","","","","","6","P n m a","-P 2ac 2n","62","","","","- C22 H18 B F3 N6 Ni -","- C22 H18 B F3 N6 Ni -","- C88 H72 B4 F12 N24 Ni4 -","4","0.5","","Meucci, Elizabeth A.; Camasso, Nicole M.; Sanford, Melanie S.","An Organometalllic NiIV Complex That Participates in Competing Transmetalation and C(sp2)‒O Bond-Forming Reductive Elimination Reactions","Organometallics","2017","36","2","247","","10.1021/acs.organomet.6b00810","","","1.54178","CuKα","","0.0479","0.0437","","","0.117","0.1197","","","","","","1.097","","","","has coordinates","190887","2020-10-21","18:00:00",""
"4086947","9.30266","0.00015","12.21955","0.00019","11.0832","0.0002","90","","102.641","0.0018","90","","1229.34","0.04","100","0.1","100","0.1","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C13 H26 B N -","- C13 H26 B N -","- C52 H104 B4 N4 -","4","1","","Körte, Leif A.; Blomeyer, Sebastian; Peters, Jan-Hendrik; Mix, Andreas; Neumann, Beate; Stammler, Hans-Georg; Mitzel, Norbert W.","Dynamic Exchange in Intramolecular Lewis Pairs with Multiple Lewis-Acidic Functions","Organometallics","2017","36","3","742","","10.1021/acs.organomet.6b00935","","x-ray","1.54184","CuKα","","0.0355","0.0323","","","0.0866","0.0893","","","","","","1.059","","","","has coordinates","193625","2020-10-21","18:00:00",""
"4086948","15.1625","0.0005","11.1717","0.0002","13.8554","0.0004","90","","116.224","0.004","90","","2105.41","0.12","100","0.1","100","0.1","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C23 H43 B2 N -","- C23 H43 B2 N -","- C92 H172 B8 N4 -","4","1","","Körte, Leif A.; Blomeyer, Sebastian; Peters, Jan-Hendrik; Mix, Andreas; Neumann, Beate; Stammler, Hans-Georg; Mitzel, Norbert W.","Dynamic Exchange in Intramolecular Lewis Pairs with Multiple Lewis-Acidic Functions","Organometallics","2017","36","3","742","","10.1021/acs.organomet.6b00935","","x-ray","1.54184","CuKα","","0.0553","0.0406","","","0.098","0.1076","","","","","","1.026","","","","has coordinates,has disorder","193625","2020-10-21","18:00:00",""
"4086949","8.4657","0.0007","13.0744","0.0018","14.2825","0.0015","75.75","0.01","80.154","0.008","82.275","0.009","1502.6","0.3","100","0.1","100","0.1","","","","","","","","4","P -1","-P 1","2","","","","- C33 H60 B3 N -","- C33 H60 B3 N -","- C66 H120 B6 N2 -","2","1","","Körte, Leif A.; Blomeyer, Sebastian; Peters, Jan-Hendrik; Mix, Andreas; Neumann, Beate; Stammler, Hans-Georg; Mitzel, Norbert W.","Dynamic Exchange in Intramolecular Lewis Pairs with Multiple Lewis-Acidic Functions","Organometallics","2017","36","3","742","","10.1021/acs.organomet.6b00935","","x-ray","1.54184","CuKα","","0.0613","0.0476","","","0.1266","0.1323","","","","","","1.057","","","","has coordinates,has disorder","193625","2020-10-21","18:00:00",""
"4086950","8.193","0.0016","20.507","0.004","14.174","0.003","90","","94.523","0.002","90","","2374","0.8","93","","93","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","complex7sme2","","- C22 H33 O3 P Pt S2 -","- C22 H33 O3 P Pt S2 -","- C88 H132 O12 P4 Pt4 S8 -","4","1","","Pal, Shrinwantu; Kusumoto, Shuhei; Nozaki, Kyoko","Facile Styrene Formation from Ethylene and a Phenylplatinum(II) Complex Leading to an Observable Platinum(II) Hydride","Organometallics","2017","36","3","502","","10.1021/acs.organomet.6b00892","","","0.71075","MoKα","","0.0334","0.0291","","","0.0731","0.0758","","","","","","1.113","","","","has coordinates","193620","2020-10-21","18:00:00",""
"4086951","13.738","0.004","8.982","0.002","19.759","0.005","90","","95.361","0.004","90","","2427.5","1.1","93","","93","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","complex7-thf","","- C24 H35 O4 P Pt S -","- C24 H35 O4 P Pt S -","- C96 H140 O16 P4 Pt4 S4 -","4","1","","Pal, Shrinwantu; Kusumoto, Shuhei; Nozaki, Kyoko","Facile Styrene Formation from Ethylene and a Phenylplatinum(II) Complex Leading to an Observable Platinum(II) Hydride","Organometallics","2017","36","3","502","","10.1021/acs.organomet.6b00892","","","0.71075","MoKα","","0.0416","0.0346","","","0.0667","0.071","","","","","","1.097","","","","has coordinates","193620","2020-10-21","18:00:00",""
"4086952","11.049","0.004","13.388","0.005","23.336","0.008","90","","93.252","0.005","90","","3446","2","93","","93","","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C34 H48 K O5 P Pt S -","- C34 H48 K O5 P Pt S -","- C136 H192 K4 O20 P4 Pt4 S4 -","4","1","","Pal, Shrinwantu; Kusumoto, Shuhei; Nozaki, Kyoko","Facile Styrene Formation from Ethylene and a Phenylplatinum(II) Complex Leading to an Observable Platinum(II) Hydride","Organometallics","2017","36","3","502","","10.1021/acs.organomet.6b00892","","","0.71075","MoKα","","0.0731","0.0614","","","0.122","0.1301","","","","","","1.123","","","","has coordinates","193620","2020-10-21","18:00:00",""
"4086953","14.6","0.003","8.0423","0.0018","16.644","0.004","90","","101.966","0.003","90","","1911.8","0.7","93","","93","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","complex8-sme2","","- C16 H29 O3 P Pt S2 -","- C16 H29 O3 P Pt S2 -","- C64 H116 O12 P4 Pt4 S8 -","4","1","","Pal, Shrinwantu; Kusumoto, Shuhei; Nozaki, Kyoko","Facile Styrene Formation from Ethylene and a Phenylplatinum(II) Complex Leading to an Observable Platinum(II) Hydride","Organometallics","2017","36","3","502","","10.1021/acs.organomet.6b00892","","","0.71075","MoKα","","0.0305","0.0297","","","0.0782","0.0788","","","","","","1.108","","","","has coordinates","193620","2020-10-21","18:00:00",""
"4086954","12.671","0.002","13.823","0.002","19.54","0.005","107.101","0.003","94.717","0.003","113.622","0.002","2917.8","1","150","2","150","2","","","","","","","","5","P -1","-P 1","2","","","","- C53.5 H104 Ir2 N4 P4 -","- C53.5 H104 Ir2 N4 P4 -","- C107 H208 Ir4 N8 P8 -","2","1","","Esteruelas, Miguel A.; López, Ana M.; Oñate, Enrique; San-Torcuato, Ainhoa; Tsai, Jui-Yi; Xia, Chuanjun","Formation of Dinuclear Iridium Complexes by NHC-Supported C‒H Bond Activation","Organometallics","2017","36","3","699","","10.1021/acs.organomet.6b00891","","","0.71073","MoKα","","0.0571","0.0366","","","0.0725","0.0804","","","","","","0.98","","","","has coordinates,has disorder","193619","2020-10-21","18:00:00",""
"4086955","10.226","0.004","15.478","0.005","19.63","0.007","90","","98.77","0.005","90","","3070.7","1.9","100","2","100","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C56 H104 Ir2 N4 P4 -","- C56 H104 Ir2 N4 P4 -","- C112 H208 Ir4 N8 P8 -","2","0.5","","Esteruelas, Miguel A.; López, Ana M.; Oñate, Enrique; San-Torcuato, Ainhoa; Tsai, Jui-Yi; Xia, Chuanjun","Formation of Dinuclear Iridium Complexes by NHC-Supported C‒H Bond Activation","Organometallics","2017","36","3","699","","10.1021/acs.organomet.6b00891","","","0.71073","MoKα","","0.0422","0.0289","","","0.062","0.067","","","","","","0.987","","","","has coordinates,has disorder","193619","2020-10-21","18:00:00",""
"4086956","13.222","0.004","15.518","0.005","17.539","0.005","90","","99.522","0.005","90","","3549.1","1.9","173","2","173","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C31.5 H56 Br Ir N2 O0.5 P2 -","- C31.5 H56 Br Ir N2 O0.5 P2 -","- C126 H224 Br4 Ir4 N8 O2 P8 -","4","1","","Esteruelas, Miguel A.; López, Ana M.; Oñate, Enrique; San-Torcuato, Ainhoa; Tsai, Jui-Yi; Xia, Chuanjun","Formation of Dinuclear Iridium Complexes by NHC-Supported C‒H Bond Activation","Organometallics","2017","36","3","699","","10.1021/acs.organomet.6b00891","","","0.71073","MoKα","","0.0472","0.0317","","","0.0746","0.0805","","","","","","1.015","","","","has coordinates,has disorder","193619","2020-10-21","18:00:00",""
"4086957","9.2313","0.0011","10.1833","0.0012","18.029","0.002","99.495","0.002","93.844","0.002","100.595","0.002","1634.8","0.3","173","2","173","2","","","","","","","","5","P -1","-P 1","2","","","","- C32 H55 Ir N2 P2 -","- C32 H55 Ir N2 P2 -","- C64 H110 Ir2 N4 P4 -","2","1","","Esteruelas, Miguel A.; López, Ana M.; Oñate, Enrique; San-Torcuato, Ainhoa; Tsai, Jui-Yi; Xia, Chuanjun","Formation of Dinuclear Iridium Complexes by NHC-Supported C‒H Bond Activation","Organometallics","2017","36","3","699","","10.1021/acs.organomet.6b00891","","","0.71073","MoKα","","0.036","0.0285","","","0.0645","0.0673","","","","","","1.024","","","","has coordinates","193619","2020-10-21","18:00:00",""
"4086958","8.5042","0.0006","22.0689","0.0016","17.5355","0.0012","90","","97.848","0.004","90","","3260.2","0.4","100","2","100","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C29 H25 Br2 F6 N7 Ni -","- C29 H25 Br2 F6 N7 Ni -","- C116 H100 Br8 F24 N28 Ni4 -","4","1","","Reed, Blake R.; Yousif, Maryam; Lord, Richard L.; McKinnon, Meaghan; Rochford, Jonathan; Groysman, Stanislav","Coordination Chemistry and Reactivity of Bis(aldimino)pyridine Nickel Complexes in Four Different Oxidation States","Organometallics","2017","36","3","582","","10.1021/acs.organomet.6b00793","","","0.71073","MoKα","","0.0645","0.0342","","","0.0641","0.0688","","","","","","0.915","","","","has coordinates","193624","2020-10-21","18:00:00",""
"4086959","15.8492","0.0006","16.5968","0.0007","18.1661","0.0007","109.771","0.002","107.782","0.002","96.691","0.002","4151.2","0.3","100","2","100","2","","","","","","","","6","P -1","-P 1","2","","","","- C82 H97 Br3 N11 Ni3 O2 -","- C84.425 H91 Br3 N9 Ni3 O2.5 -","- C168.85 H182 Br6 N18 Ni6 O5 -","2","1","","Reed, Blake R.; Yousif, Maryam; Lord, Richard L.; McKinnon, Meaghan; Rochford, Jonathan; Groysman, Stanislav","Coordination Chemistry and Reactivity of Bis(aldimino)pyridine Nickel Complexes in Four Different Oxidation States","Organometallics","2017","36","3","582","","10.1021/acs.organomet.6b00793","","","0.71073","MoKα","","0.0693","0.0437","","","0.1165","0.1283","","","","","","1.037","","","","has coordinates,has disorder","193624","2020-10-21","18:00:00",""
"4086960","15.1338","0.0014","15.5824","0.0018","15.638","0.0017","111.886","0.004","95.128","0.004","114.62","0.003","2977.2","0.6","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","","","- C66 H88 N6 Ni O -","- C66 H88 N6 Ni O -","- C132 H176 N12 Ni2 O2 -","2","1","","Reed, Blake R.; Yousif, Maryam; Lord, Richard L.; McKinnon, Meaghan; Rochford, Jonathan; Groysman, Stanislav","Coordination Chemistry and Reactivity of Bis(aldimino)pyridine Nickel Complexes in Four Different Oxidation States","Organometallics","2017","36","3","582","","10.1021/acs.organomet.6b00793","","","0.71073","MoKα","","0.0643","0.0438","","","0.099","0.1082","","","","","","1.011","","","","has coordinates","193624","2020-10-21","18:00:00",""
"4086961","10.1477","0.0018","13.953","0.002","30.344","0.005","88.662","0.013","80.457","0.009","84.862","0.009","4219.8","1.2","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","","","- C98 H109 N6 Ni2 O2 -","- C98 H108 N6 Ni2 O2 -","- C196 H216 N12 Ni4 O4 -","2","1","","Reed, Blake R.; Yousif, Maryam; Lord, Richard L.; McKinnon, Meaghan; Rochford, Jonathan; Groysman, Stanislav","Coordination Chemistry and Reactivity of Bis(aldimino)pyridine Nickel Complexes in Four Different Oxidation States","Organometallics","2017","36","3","582","","10.1021/acs.organomet.6b00793","","","0.71073","MoKα","","0.0681","0.0469","","","0.1103","0.121","","","","","","1.041","","","","has coordinates,has disorder","193624","2020-10-21","18:00:00",""
"4086962","17.2771","0.0013","12.8993","0.0013","22.334","0.002","90","","93.523","0.007","90","","4968","0.8","100","2","100","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C28 H34 N3 Ni0.5 -","- C28 H34 N3 Ni0.5 -","- C224 H272 N24 Ni4 -","8","1","","Reed, Blake R.; Yousif, Maryam; Lord, Richard L.; McKinnon, Meaghan; Rochford, Jonathan; Groysman, Stanislav","Coordination Chemistry and Reactivity of Bis(aldimino)pyridine Nickel Complexes in Four Different Oxidation States","Organometallics","2017","36","3","582","","10.1021/acs.organomet.6b00793","","","0.71073","MoKα","","0.0931","0.051","","","0.1195","0.1307","","","","","","0.988","","","","has coordinates","193624","2020-10-21","18:00:00",""
"4086963","19.615","0.003","27.998","0.004","11.7119","0.0017","90","","90","","90","","6432","1.6","100","2","100","2","","","","","","","","4","P 21 21 2","P 2 2ab","18","","","","- C70.5 H78 N6 Ni2 -","- C70.5 H75 N6 Ni2 -","- C282 H300 N24 Ni8 -","4","1","","Reed, Blake R.; Yousif, Maryam; Lord, Richard L.; McKinnon, Meaghan; Rochford, Jonathan; Groysman, Stanislav","Coordination Chemistry and Reactivity of Bis(aldimino)pyridine Nickel Complexes in Four Different Oxidation States","Organometallics","2017","36","3","582","","10.1021/acs.organomet.6b00793","","","0.71073","MoKα","","0.1628","0.0977","","","0.2272","0.2586","","","","","","1.057","","","","has coordinates,has disorder","193624","2020-10-21","18:00:00",""
"4086964","8.7274","0.0011","13.7311","0.0016","15.2359","0.0017","71.069","0.005","79.57","0.006","72.234","0.006","1637.9","0.3","100","2","100","2","","","","","","","","4","P -1","-P 1","2","","","","- C39 H51 N3 Ni -","- C39 H51 N3 Ni -","- C78 H102 N6 Ni2 -","2","1","","Reed, Blake R.; Yousif, Maryam; Lord, Richard L.; McKinnon, Meaghan; Rochford, Jonathan; Groysman, Stanislav","Coordination Chemistry and Reactivity of Bis(aldimino)pyridine Nickel Complexes in Four Different Oxidation States","Organometallics","2017","36","3","582","","10.1021/acs.organomet.6b00793","","","0.71073","MoKα","","0.0686","0.0426","","","0.0834","0.0935","","","","","","1.001","","","","has coordinates","193624","2020-10-21","18:00:00",""
"4086965","13.9485","0.0009","16.9908","0.0011","25.0551","0.0016","84.846","0.005","80.844","0.005","84.82","0.005","5821.1","0.7","173","2","173","2","","","","","","","synthesis as described","6","P -1","-P 1","2","","","","- C122 H74 B2 Ca2 F24 N12 -","- C122 H74 B2 Ca2 F24 N12 -","- C244 H148 B4 Ca4 F48 N24 -","2","1","","Romero, Nuria; Dufrois, Quentin; Vendier, Laure; Dinoi, Chiara; Etienne, Michel","Highly Fluorinated Tris(indazolyl)borate Hydrocarbyl Complexes of Calcium and Magnesium: Synthesis and Structural Studies","Organometallics","2017","36","3","564","","10.1021/acs.organomet.6b00783","","x-ray","0.71073","MoKα","","0.2619","0.0949","","","0.1967","0.268","","","","","","0.818","","","","has coordinates","193622","2020-10-21","18:00:00",""
"4086966","18.077","0.002","23.259","0.003","20.616","0.003","90","","99.717","0.004","90","","8543.7","1.9","100","2","100","2","","","","","","","synthesis as described","7","P 1 21/c 1","-P 2ybc","14","","","","- C43 H30 B F12 Mg N7 Si2 -","- C43 H30 B F12 Mg N7 Si2 -","- C344 H240 B8 F96 Mg8 N56 Si16 -","8","2","","Romero, Nuria; Dufrois, Quentin; Vendier, Laure; Dinoi, Chiara; Etienne, Michel","Highly Fluorinated Tris(indazolyl)borate Hydrocarbyl Complexes of Calcium and Magnesium: Synthesis and Structural Studies","Organometallics","2017","36","3","564","","10.1021/acs.organomet.6b00783","","","0.71073","MoKα","","0.0374","0.031","","","0.0851","0.0914","","","","","","1.055","","","","has coordinates","193622","2020-10-21","18:00:00",""
"4086967","14.6512","0.0007","21.1879","0.001","24.7501","0.0011","110.899","0.001","104.544","0.002","94.182","0.002","6834.5","0.6","100","2","100","2","","","","","","","synthesis as described","6","P -1","-P 1","2","","","","- C47 H21 B F12 Mg N6 -","- C47 H21 B F12 Mg N6 -","- C282 H126 B6 F72 Mg6 N36 -","6","3","","Romero, Nuria; Dufrois, Quentin; Vendier, Laure; Dinoi, Chiara; Etienne, Michel","Highly Fluorinated Tris(indazolyl)borate Hydrocarbyl Complexes of Calcium and Magnesium: Synthesis and Structural Studies","Organometallics","2017","36","3","564","","10.1021/acs.organomet.6b00783","","","0.71073","MoKα","","0.0729","0.0522","","","0.1488","0.1588","","","","","","1.06","","","","has coordinates","193622","2020-10-21","18:00:00",""
"4086968","9.0934","0.0013","9.9794","0.0015","14.098","0.002","81.042","0.005","78.122","0.004","81.507","0.005","1227.8","0.3","99","2","99","2","","","","","","","","7","P -1","-P 1","2","","","","- C21 H25 Br2 Cl2 N3 O Pd -","- C21 H25 Br2 Cl2 N3 O Pd -","- C42 H50 Br4 Cl4 N6 O2 Pd2 -","2","1","","Meier, Martin; Tan, Tristan Tsai Yuan; Hahn, F. Ekkehardt; Huynh, Han Vinh","Donor Strength Determination of Benzoxazolin-2-ylidene, Benzobisoxazolin-2-ylidene, and Their Isocyanide Precursors by 13C NMR Spectroscopy of Their PdII and AuI Complexes","Organometallics","2017","36","2","275","","10.1021/acs.organomet.6b00736","","","0.71073","MoKα","","0.0272","0.0223","","","0.0561","0.058","","","","","","1.018","","","","has coordinates","191283","2020-10-21","18:00:00",""
"4086969","9.3977","0.0013","11.5074","0.0016","12.2369","0.0016","108.238","0.004","106.89","0.005","107.292","0.004","1087.4","0.3","100","2","100","2","","","","","","","","7","P -1","-P 1","2","","","","- C20 H23 Au F6 N3 O P -","- C20 H23 Au F6 N3 O P -","- C40 H46 Au2 F12 N6 O2 P2 -","2","1","","Meier, Martin; Tan, Tristan Tsai Yuan; Hahn, F. Ekkehardt; Huynh, Han Vinh","Donor Strength Determination of Benzoxazolin-2-ylidene, Benzobisoxazolin-2-ylidene, and Their Isocyanide Precursors by 13C NMR Spectroscopy of Their PdII and AuI Complexes","Organometallics","2017","36","2","275","","10.1021/acs.organomet.6b00736","","","0.71073","MoKα","","0.0285","0.0255","","","0.0542","0.0559","","","","","","1.229","","","","has coordinates,has disorder","191283","2020-10-21","18:00:00",""
"4086970","11.0405","0.0002","19.4798","0.0004","14.9316","0.0003","90","","98.329","0.001","90","","3177.42","0.11","100","2","100","2","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C29 H43 Br2 N3 O Pd Si -","- C29 H43 Br2 N3 O Pd Si -","- C116 H172 Br8 N12 O4 Pd4 Si4 -","4","1","","Meier, Martin; Tan, Tristan Tsai Yuan; Hahn, F. Ekkehardt; Huynh, Han Vinh","Donor Strength Determination of Benzoxazolin-2-ylidene, Benzobisoxazolin-2-ylidene, and Their Isocyanide Precursors by 13C NMR Spectroscopy of Their PdII and AuI Complexes","Organometallics","2017","36","2","275","","10.1021/acs.organomet.6b00736","","","0.71073","MoKα","","0.0565","0.0341","","","0.07","0.0771","","","","","","1.034","","","","has coordinates","191283","2020-10-21","18:00:00",""
"4086971","10.56","0.0002","10.6675","0.0002","12.886","0.0003","69.634","0.001","88.103","0.001","77.301","0.001","1326.07","0.05","153","2","153","2","","","","","","","","7","P -1","-P 1","2","","","","- C44 H62 Au2 F12 N6 O5 P2 -","- C44 H56 Au2 F12 N6 O5 P2 -","- C44 H56 Au2 F12 N6 O5 P2 -","1","0.5","","Meier, Martin; Tan, Tristan Tsai Yuan; Hahn, F. Ekkehardt; Huynh, Han Vinh","Donor Strength Determination of Benzoxazolin-2-ylidene, Benzobisoxazolin-2-ylidene, and Their Isocyanide Precursors by 13C NMR Spectroscopy of Their PdII and AuI Complexes","Organometallics","2017","36","2","275","","10.1021/acs.organomet.6b00736","","","0.71073","MoKα","","0.0377","0.0359","","","0.0919","0.0934","","","","","","1.167","","","","has coordinates,has disorder","191283","2020-10-21","18:00:00",""
"4086972","9.2192","0.0005","11.089","0.0006","19.7174","0.0011","88.1345","0.0006","81.6658","0.0006","66.137","0.0006","1823.2","0.17","173","2","173.15","","","","","","","","","4","P -1","-P 1","2","","","","- C43 H43 P3 Pt -","- C43 H43 P3 Pt -","- C86 H86 P6 Pt2 -","2","1","","Kubo, Kazuyuki; Okitsu, Hiroyuki; Miwa, Hiroto; Kume, Shoko; Cavell, Ronald G.; Mizuta, Tsutomu","Carbon(0)-Bridged Pt/Ag Dinuclear and Tetranuclear Complexes Based on a Cyclometalated Pincer Carbodiphosphorane Platform","Organometallics","2017","36","2","266","","10.1021/acs.organomet.6b00700","","","0.71073","MoKα","","0.0232","0.0217","","","0.0551","0.0561","","","","","","1.063","","","","has coordinates,has disorder","191284","2020-10-21","18:00:00",""
"4086973","12.5033","0.0014","14.6582","0.0016","15.264","0.003","112.81","0.002","106.21","0.002","102.58","0.001","2302.1","0.6","173.15","","173.15","","","","","","","","","8","P -1","-P 1","2","","","","- C48 H53 Ag F3 O4 P3 Pt S -","- C48 H53 Ag F3 O4 P3 Pt S -","- C96 H106 Ag2 F6 O8 P6 Pt2 S2 -","2","1","","Kubo, Kazuyuki; Okitsu, Hiroyuki; Miwa, Hiroto; Kume, Shoko; Cavell, Ronald G.; Mizuta, Tsutomu","Carbon(0)-Bridged Pt/Ag Dinuclear and Tetranuclear Complexes Based on a Cyclometalated Pincer Carbodiphosphorane Platform","Organometallics","2017","36","2","266","","10.1021/acs.organomet.6b00700","","","0.71073","MoKα","","0.0298","0.0266","","","0.0657","0.0676","","","","","","1.034","","","","has coordinates,has disorder","191284","2020-10-21","18:00:00",""
"4086974","11.079","0.002","14.147","0.003","38.938","0.007","90","","95.011","0.002","90","","6080","2","173.15","","173.15","","","","","","","","","9","P 1 21/c 1","-P 2ybc","14","","","","- C63 H60 Ag Cl2 F3 O3 P4 Pt S -","- C63 H60 Ag Cl2 F3 O3 P4 Pt S -","- C252 H240 Ag4 Cl8 F12 O12 P16 Pt4 S4 -","4","1","","Kubo, Kazuyuki; Okitsu, Hiroyuki; Miwa, Hiroto; Kume, Shoko; Cavell, Ronald G.; Mizuta, Tsutomu","Carbon(0)-Bridged Pt/Ag Dinuclear and Tetranuclear Complexes Based on a Cyclometalated Pincer Carbodiphosphorane Platform","Organometallics","2017","36","2","266","","10.1021/acs.organomet.6b00700","","","0.71073","MoKα","","0.0415","0.0369","","","0.0867","0.0887","","","","","","1.1","","","","has coordinates,has disorder","191284","2020-10-21","18:00:00",""
"4086975","13.6883","0.0008","17.7602","0.0011","25.7558","0.0015","89.4128","0.0008","78.9409","0.0008","81.5996","0.0008","6078.2","0.6","173.15","","173.15","","","","","","","","","9","P -1","-P 1","2","","","","- C63 H60 Ag Cl2 F3 O6 P4 Pt S -","- C63 H60 Ag Cl2 F3 O6 P4 Pt S -","- C252 H240 Ag4 Cl8 F12 O24 P16 Pt4 S4 -","4","2","","Kubo, Kazuyuki; Okitsu, Hiroyuki; Miwa, Hiroto; Kume, Shoko; Cavell, Ronald G.; Mizuta, Tsutomu","Carbon(0)-Bridged Pt/Ag Dinuclear and Tetranuclear Complexes Based on a Cyclometalated Pincer Carbodiphosphorane Platform","Organometallics","2017","36","2","266","","10.1021/acs.organomet.6b00700","","","0.71073","MoKα","","0.0496","0.0354","","","0.0775","0.0849","","","","","","1.021","","","","has coordinates,has disorder","191284","2020-10-21","18:00:00",""
"4086976","11.109","0.002","19.38","0.004","23.085","0.005","90","","93.32","0.03","90","","4961.7","1.7","173","2","173","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C25 H12 B F3 N6 O3 S -","- C25 H12 B F3 N6 O3 S -","- C200 H96 B8 F24 N48 O24 S8 -","8","2","","Wang, Zikuan; Fu, Xuefeng","Synthesis, Characterization, and Reactivity Studies of Subphthalocyanine Boron Triflate","Organometallics","2017","36","2","285","","10.1021/acs.organomet.6b00754","","","0.71073","MoKα","","0.091","0.0828","","","0.2446","0.2562","","","","","","1.087","","","","has coordinates,has disorder","191285","2020-10-21","18:00:00",""
"4086977","25.711","0.006","8.4523","0.0016","20.757","0.005","90","","124.615","0.002","90","","3712.4","1.4","173","2","173","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C48 H25.12 B2 N12 O1.56 -","- C48 H25.124 B2 N12 O1.562 -","- C192 H100.496 B8 N48 O6.248 -","4","0.5","","Wang, Zikuan; Fu, Xuefeng","Synthesis, Characterization, and Reactivity Studies of Subphthalocyanine Boron Triflate","Organometallics","2017","36","2","285","","10.1021/acs.organomet.6b00754","","","0.71073","MoKα","","0.0564","0.0523","","","0.1147","0.1178","","","","","","1.136","","","","has coordinates","191285","2020-10-21","18:00:00",""
"4086978","10.537","0.002","15.918","0.003","11.484","0.002","90","","90","","90","","1926.2","0.6","173.15","","173.15","","","","","","","","","4","P n m a","-P 2ac 2n","62","","","","- C25 H15 B N6 -","- C25 H15 B N6 -","- C100 H60 B4 N24 -","4","0.5","","Wang, Zikuan; Fu, Xuefeng","Synthesis, Characterization, and Reactivity Studies of Subphthalocyanine Boron Triflate","Organometallics","2017","36","2","285","","10.1021/acs.organomet.6b00754","","","0.71073","MoKα","","0.0583","0.0575","","","0.1403","0.1409","","","","","","1.164","","","","has coordinates,has disorder","191285","2020-10-21","18:00:00",""
"4086979","14.187","0.002","17.603","0.003","18.327","0.003","90","","90","","90","","4576.9","1.3","173.15","","173.15","","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C28 H21.65 B N6 O1.32 -","- C28 H21.648 B N6 O1.324 -","- C224 H173.184 B8 N48 O10.592 -","8","1","","Wang, Zikuan; Fu, Xuefeng","Synthesis, Characterization, and Reactivity Studies of Subphthalocyanine Boron Triflate","Organometallics","2017","36","2","285","","10.1021/acs.organomet.6b00754","","","0.71073","MoKα","","0.0637","0.0593","","","0.1431","0.1463","","","","","","1.153","","","","has coordinates","191285","2020-10-21","18:00:00",""
"4086980","14.656","0.003","9.9791","0.0015","15.223","0.003","90","","109.024","0.002","90","","2104.8","0.7","173","2","173","2","","","","","","","","7","P 1 21 1","P 2yb","4","","","","- C46 H37 B F3 N7 O4 S -","- C46 H37 B F3 N7 O4 S -","- C92 H74 B2 F6 N14 O8 S2 -","2","1","","Wang, Zikuan; Fu, Xuefeng","Synthesis, Characterization, and Reactivity Studies of Subphthalocyanine Boron Triflate","Organometallics","2017","36","2","285","","10.1021/acs.organomet.6b00754","","","0.71073","MoKα","","0.049","0.0461","","","0.1074","0.11","","","","","","1.048","","","","has coordinates","191285","2020-10-21","18:00:00",""
"4086981","11.329","0.003","12.492","0.003","19.268","0.005","80.125","0.008","73.867","0.006","88.177","0.01","2580.3","1.1","173.15","","173.15","","","","","","","","","6","P -1","-P 1","2","","","","- C28 H25 B N6 O2 Si -","- C28 H24.5 B N6 O2 Si -","- C112 H98 B4 N24 O8 Si4 -","4","2","","Wang, Zikuan; Fu, Xuefeng","Synthesis, Characterization, and Reactivity Studies of Subphthalocyanine Boron Triflate","Organometallics","2017","36","2","285","","10.1021/acs.organomet.6b00754","","","0.71073","MoKα","","0.0782","0.0695","","","0.1604","0.1659","","","","","","1.159","","","","has coordinates","252331","2020-10-21","18:00:00",""
"4086982","16.8626","0.0007","17.546","0.0008","22.2763","0.0009","98.669","0.002","91.245","0.002","93.451","0.002","6500.6","0.5","120","2","120","2","","","","","","","","8","P -1","-P 1","2","","","","- C255 H252 Ag14 F18 N8 O24 P12 S6 -","- C255 H252 Ag14 F18 N8 O24 P12 S6 -","- C255 H252 Ag14 F18 N8 O24 P12 S6 -","1","0.5","","Chen, Yi-Ting; Krytchankou, Ilya S.; Karttunen, Antti J.; Grachova, Elena V.; Tunik, Sergey P.; Chou, Pi-Tai; Koshevoy, Igor O.","Silver Alkynyl-Phosphine Clusters: An Electronic Effect of the Alkynes Defines Structural Diversity","Organometallics","2017","36","2","480","","10.1021/acs.organomet.6b00866","","","0.71073","MoKα","","0.0613","0.0462","","","0.1274","0.1415","","","","","","1.035","","","","has coordinates,has disorder","191286","2020-10-21","18:00:00",""
"4086983","13.8948","0.0009","14.7416","0.001","15.8355","0.0011","112.562","0.002","99.276","0.002","94.822","0.002","2918.1","0.3","120","2","120","2","","","","","","","","7","P -1","-P 1","2","","","","- C108 H110 Ag8 F12 O14 P6 S4 -","- C108 H110 Ag8 F12 O14 P6 S4 -","- C108 H110 Ag8 F12 O14 P6 S4 -","1","0.5","","Chen, Yi-Ting; Krytchankou, Ilya S.; Karttunen, Antti J.; Grachova, Elena V.; Tunik, Sergey P.; Chou, Pi-Tai; Koshevoy, Igor O.","Silver Alkynyl-Phosphine Clusters: An Electronic Effect of the Alkynes Defines Structural Diversity","Organometallics","2017","36","2","480","","10.1021/acs.organomet.6b00866","","","0.71073","MoKα","","0.054","0.039","","","0.1008","0.1068","","","","","","1.042","","","","has coordinates,has disorder","191286","2020-10-21","18:00:00",""
"4086984","22.423","0.001","15.8745","0.0007","34.3444","0.0015","90","","108.536","0.001","90","","11590.8","0.9","120","2","120","2","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C104 H83 Ag6 F9 O12 P6 S3 -","- C104 H83 Ag6 F9 O12 P6 S3 -","- C416 H332 Ag24 F36 O48 P24 S12 -","4","1","","Chen, Yi-Ting; Krytchankou, Ilya S.; Karttunen, Antti J.; Grachova, Elena V.; Tunik, Sergey P.; Chou, Pi-Tai; Koshevoy, Igor O.","Silver Alkynyl-Phosphine Clusters: An Electronic Effect of the Alkynes Defines Structural Diversity","Organometallics","2017","36","2","480","","10.1021/acs.organomet.6b00866","","","0.71073","MoKα","","0.0877","0.0715","","","0.1687","0.1795","","","","","","1.085","","","","has coordinates,has disorder","191287","2020-10-21","18:00:00",""
"4086985","25.4","0.004","30.627","0.005","30.131","0.005","90","","96.935","0.005","90","","23268","7","120","2","120","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C235 H208 Ag12 F18 O25 P12 -","- C235 H208 Ag12 F18 O25 P12 -","- C940 H832 Ag48 F72 O100 P48 -","4","1","","Chen, Yi-Ting; Krytchankou, Ilya S.; Karttunen, Antti J.; Grachova, Elena V.; Tunik, Sergey P.; Chou, Pi-Tai; Koshevoy, Igor O.","Silver Alkynyl-Phosphine Clusters: An Electronic Effect of the Alkynes Defines Structural Diversity","Organometallics","2017","36","2","480","","10.1021/acs.organomet.6b00866","","","0.71073","MoKα","","0.1041","0.0847","","","0.181","0.1922","","","","","","1.184","","","","has coordinates,has disorder","191287","2020-10-21","18:00:00",""
"4086986","19.547","0.004","21.52","0.004","24.334","0.005","90","","96.446","0.004","90","","10171","4","150","2","150","2","","","","","","","","8","P 1 21/n 1","-P 2yn","14","","","","- C212 H169 Ag12 F18 N5 O18 P12 S6 -","- C212 H169 Ag12 F18 N5 O18 P12 S6 -","- C424 H338 Ag24 F36 N10 O36 P24 S12 -","2","0.5","","Chen, Yi-Ting; Krytchankou, Ilya S.; Karttunen, Antti J.; Grachova, Elena V.; Tunik, Sergey P.; Chou, Pi-Tai; Koshevoy, Igor O.","Silver Alkynyl-Phosphine Clusters: An Electronic Effect of the Alkynes Defines Structural Diversity","Organometallics","2017","36","2","480","","10.1021/acs.organomet.6b00866","","","0.71073","MoKα","","0.0377","0.0286","","","0.064","0.0691","","","","","","1.048","","","","has coordinates,has disorder","191288","2020-10-21","18:00:00",""
"4086987","18.4199","0.001","18.4199","0.001","21.9233","0.0011","90","","90","","120","","6441.9","0.6","120","2","120","2","","","","","","","","7","P -3","-P 3","147","","","","- C104 H74 Ag6 F18 O9 P6 S3 -","- C104 H74 Ag6 F18 O9 P6 S3 -","- C208 H148 Ag12 F36 O18 P12 S6 -","2","0.333333","","Chen, Yi-Ting; Krytchankou, Ilya S.; Karttunen, Antti J.; Grachova, Elena V.; Tunik, Sergey P.; Chou, Pi-Tai; Koshevoy, Igor O.","Silver Alkynyl-Phosphine Clusters: An Electronic Effect of the Alkynes Defines Structural Diversity","Organometallics","2017","36","2","480","","10.1021/acs.organomet.6b00866","","","0.71073","MoKα","","0.0536","0.0483","","","0.1113","0.1139","","","","","","1.068","","","","has coordinates,has disorder","191288","2020-10-21","18:00:00",""
"4086988","14.618","0.0004","20.217","0.0005","22.3293","0.0006","81.432","0.001","76.26","0.001","73.098","0.001","6110.6","0.3","120","2","120","2","","","","","","","","7","P -1","-P 1","2","","","","- C118 H117 Ag7 F12 O21 P6 S4 -","- C118 H117 Ag7 F12 O21 P6 S4 -","- C236 H234 Ag14 F24 O42 P12 S8 -","2","1","","Chen, Yi-Ting; Krytchankou, Ilya S.; Karttunen, Antti J.; Grachova, Elena V.; Tunik, Sergey P.; Chou, Pi-Tai; Koshevoy, Igor O.","Silver Alkynyl-Phosphine Clusters: An Electronic Effect of the Alkynes Defines Structural Diversity","Organometallics","2017","36","2","480","","10.1021/acs.organomet.6b00866","","","0.71073","MoKα","","0.0605","0.0376","","","0.0866","0.0976","","","","","","1.012","","","","has coordinates","191289","2020-10-21","18:00:00",""
"4086989","23.0625","0.0006","23.0625","0.0006","39.8602","0.0011","90","","90","","120","","18360.4","0.8","120","2","120","2","","","","","","","","8","R 3 c :H","R 3 -2""c","161","","","","- C225 H202 Ag14 F24 N6 O27 P12 S8 -","- C225 H202 Ag14 F23.9994 N6 O26.9998 P12 S7.9998 -","- C674.999 H606 Ag42 F71.9982 N18 O80.9994 P36 S23.9994 -","3","0.166667","","Chen, Yi-Ting; Krytchankou, Ilya S.; Karttunen, Antti J.; Grachova, Elena V.; Tunik, Sergey P.; Chou, Pi-Tai; Koshevoy, Igor O.","Silver Alkynyl-Phosphine Clusters: An Electronic Effect of the Alkynes Defines Structural Diversity","Organometallics","2017","36","2","480","","10.1021/acs.organomet.6b00866","","","0.71073","MoKα","","0.0307","0.0271","","","0.0766","0.0791","","","","","","1.037","","","","has coordinates","191289","2020-10-21","18:00:00",""
"4086990","12.2467","0.0016","6.2204","0.0008","28.948","0.004","90","","94.182","0.002","90","","2199.4","0.5","296","2","296","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C26 H16 F3 N3 O2 Pt -","- C26 H16 F3 N3 O2 Pt -","- C104 H64 F12 N12 O8 Pt4 -","4","1","","Lu, Guang-Zhao; Jing, Yi-Ming; Han, Hua-Bo; Fang, Yu-Liang; Zheng, You-Xuan","Efficient Electroluminescence of Two Heteroleptic Platinum Complexes with a 2-(5-Phenyl-1,3,4-oxadiazol-2-yl)phenol Ancillary Ligand","Organometallics","2017","36","2","448","","10.1021/acs.organomet.6b00851","","","0.71073","MoKα","","0.047","0.0395","","","0.0961","0.1001","","","","","","1.031","","","","has coordinates","191290","2020-10-21","18:00:00",""
"4086991","34.862","0.002","13.2682","0.0004","18.4917","0.0009","90","","120.374","0.006","90","","7379.4","0.8","120","","120","","","","","","","","","7","C 1 2/c 1","-C 2yc","15","","","","- C74 H92 Br2 F12 N2 P2 Pd2 -","- C74 H92 Br2 F12.0012 N2 P2 Pd2 -","- C296 H368 Br8 F48.0048 N8 P8 Pd8 -","4","0.5","","Goutierre, Anne-Sophie; Trinh, Huu Vinh; Larini, Paolo; Jazzar, Rodolphe; Baudoin, Olivier","Comparative Structural Analysis of Biarylphosphine Ligands in Arylpalladium Bromide and Malonate Complexes","Organometallics","2017","36","1","129","","10.1021/acs.organomet.6b00535","","","0.7107","MoKα","","0.0779","0.0611","","0.1666","0.155","0.1666","","","","","","0.9802","","","","has coordinates,has disorder","191291","2020-10-21","18:00:00",""
"4086992","10.1885","0.0003","23.9972","0.0007","15.4185","0.0005","90","","105.223","0.003","90","","3637.5","0.2","150","","150","","","","","","","","","8","P 1 21/n 1","-P 2yn","14","","","","- C64 H76 Br2 Cl6 F12 N6 P2 Pd2 -","- C64 H76 Br2 Cl6 F12 N6 P2 Pd2 -","- C128 H152 Br4 Cl12 F24 N12 P4 Pd4 -","2","0.5","","Goutierre, Anne-Sophie; Trinh, Huu Vinh; Larini, Paolo; Jazzar, Rodolphe; Baudoin, Olivier","Comparative Structural Analysis of Biarylphosphine Ligands in Arylpalladium Bromide and Malonate Complexes","Organometallics","2017","36","1","129","","10.1021/acs.organomet.6b00535","","","0.7107","MoKα","","0.0536","0.0376","","0.0756","0.0669","0.0756","","","","","","0.934","","","","has coordinates,has disorder","191291","2020-10-21","18:00:00",""
"4086993","10.253","0.001","12.664","0.001","15.385","0.001","75.285","0.007","85.433","0.008","88.94","0.009","1926","0.3","150","","150","","","","","","","","","7","P -1","-P 1","2","","","","- C72 H82 Br2 Cl6 F12 P2 Pd2 -","- C72 H82 Br2 Cl6 F12 P2 Pd2 -","- C72 H82 Br2 Cl6 F12 P2 Pd2 -","1","0.5","","Goutierre, Anne-Sophie; Trinh, Huu Vinh; Larini, Paolo; Jazzar, Rodolphe; Baudoin, Olivier","Comparative Structural Analysis of Biarylphosphine Ligands in Arylpalladium Bromide and Malonate Complexes","Organometallics","2017","36","1","129","","10.1021/acs.organomet.6b00535","","","0.7107","MoKα","","0.2033","0.0956","","0.2114","0.1446","0.2114","","","","","","0.9727","","","","has coordinates","191291","2020-10-21","18:00:00",""
"4086994","24.7599","0.0008","17.799","0.0005","9.2601","0.0003","90","","112.788","0.004","90","","3762.4","0.2","150","","150","","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C39 H47 Br F6 N2 P Pd -","- C39 H47 Br F6 N2 P Pd -","- C156 H188 Br4 F24 N8 P4 Pd4 -","4","1","","Goutierre, Anne-Sophie; Trinh, Huu Vinh; Larini, Paolo; Jazzar, Rodolphe; Baudoin, Olivier","Comparative Structural Analysis of Biarylphosphine Ligands in Arylpalladium Bromide and Malonate Complexes","Organometallics","2017","36","1","129","","10.1021/acs.organomet.6b00535","","","0.7107","MoKα","","0.0464","0.0357","","0.0655","0.0582","0.0655","","","","","","0.9403","","","","has coordinates","191291","2020-10-21","18:00:00",""
"4086995","10.78","0.0008","13.6203","0.0009","14.897","0.001","91.076","0.005","98.051","0.006","101.012","0.006","2123.5","0.3","100","","100","","","","","","","","","7","P -1","-P 1","2","","","","- C45 H52 F6 N O4 P Pd -","- C45 H52 F6 N O4 P Pd -","- C90 H104 F12 N2 O8 P2 Pd2 -","2","1","","Goutierre, Anne-Sophie; Trinh, Huu Vinh; Larini, Paolo; Jazzar, Rodolphe; Baudoin, Olivier","Comparative Structural Analysis of Biarylphosphine Ligands in Arylpalladium Bromide and Malonate Complexes","Organometallics","2017","36","1","129","","10.1021/acs.organomet.6b00535","","","0.7107","MoKα","","0.0798","0.0603","","0.1608","0.125","0.1608","","","","","","0.9578","","","","has coordinates,has disorder","191291","2020-10-21","18:00:00",""
"4086996","15.2576","0.0001","11.6647","0.00009","20.1707","0.0002","90","","91.4013","0.0008","90","","3588.81","0.05","150","","150","","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C36 H44 F6 N3 O4 P Pd -","- C36 H44 F6 N3 O4 P Pd -","- C144 H176 F24 N12 O16 P4 Pd4 -","4","1","","Goutierre, Anne-Sophie; Trinh, Huu Vinh; Larini, Paolo; Jazzar, Rodolphe; Baudoin, Olivier","Comparative Structural Analysis of Biarylphosphine Ligands in Arylpalladium Bromide and Malonate Complexes","Organometallics","2017","36","1","129","","10.1021/acs.organomet.6b00535","","","0.7107","MoKα","","0.0341","0.0274","","0.0464","0.0417","0.0464","","","","","","0.9674","","","","has coordinates","191291","2020-10-21","18:00:00",""
"4086997","10.1653","0.0004","11.2879","0.0005","17.6123","0.0005","79.148","0.003","85.503","0.003","72.106","0.004","1888.31","0.13","150","","150","","","","","","","","","6","P -1","-P 1","2","","","","- C40 H47 F6 O4 P Pd -","- C40 H47 F6 O4 P Pd -","- C80 H94 F12 O8 P2 Pd2 -","2","1","","Goutierre, Anne-Sophie; Trinh, Huu Vinh; Larini, Paolo; Jazzar, Rodolphe; Baudoin, Olivier","Comparative Structural Analysis of Biarylphosphine Ligands in Arylpalladium Bromide and Malonate Complexes","Organometallics","2017","36","1","129","","10.1021/acs.organomet.6b00535","","","1.5418","CuKα","","0.027","0.0257","","0.0698","0.0681","0.0698","","","","","","0.9689","","","","has coordinates,has disorder","191291","2020-10-21","18:00:00",""
"4086998","9.4972","0.0005","22.771","0.001","22.735","0.001","90","","100.095","0.005","90","","4840.6","0.4","150","","150","","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C49 H53 F12 N2 O4 P Pd -","- C49 H53 F12 N2 O4 P Pd -","- C196 H212 F48 N8 O16 P4 Pd4 -","4","1","","Goutierre, Anne-Sophie; Trinh, Huu Vinh; Larini, Paolo; Jazzar, Rodolphe; Baudoin, Olivier","Comparative Structural Analysis of Biarylphosphine Ligands in Arylpalladium Bromide and Malonate Complexes","Organometallics","2017","36","1","129","","10.1021/acs.organomet.6b00535","","","0.7107","MoKα","","0.0912","0.0608","","0.1386","0.1143","0.1386","","","","","","0.9765","","","","has coordinates,has disorder","191291","2020-10-21","18:00:00",""
"4086999","11.534","0.003","13.143","0.003","20.525","0.005","71.835","0.002","87.753","0.002","79.358","0.002","2904.9","1.2","100","2","100","2","","","","","","","","8","P -1","-P 1","2","","","","- C101 H180 F4 Fe4 N8 O2 Sc4 Si8 -","- C101 H180 F4 Fe4 N8 O2 Sc4 Si8 -","- C101 H180 F4 Fe4 N8 O2 Sc4 Si8 -","1","0.5","","Huang, Wenliang; Diaconescu, Paula L.","Aromatic C‒F Bond Activation by Rare-Earth-Metal Complexes","Organometallics","2017","36","1","89","","10.1021/acs.organomet.6b00661","","","0.71073","MoKα","","0.0606","0.0459","","","0.1078","0.1133","","","","","","1.047","","","","has coordinates,has disorder","191292","2020-10-21","18:00:00",""
"4087000","10.3102","0.0012","22.263","0.003","16.831","0.002","90","","90.324","0.0015","90","","3863.3","0.8","100","2","100","2","","","","","","","","8","P 1 21/n 1","-P 2yn","14","","","","- C35 H53 F5 Fe N2 O Sc Si2 -","- C35 H53 F5 Fe N2 O Sc Si2 -","- C140 H212 F20 Fe4 N8 O4 Sc4 Si8 -","4","1","","Huang, Wenliang; Diaconescu, Paula L.","Aromatic C‒F Bond Activation by Rare-Earth-Metal Complexes","Organometallics","2017","36","1","89","","10.1021/acs.organomet.6b00661","","","0.71073","mokα","","0.0431","0.0324","","","0.0776","0.0833","","","","","","0.981","","","","has coordinates","191292","2020-10-21","18:00:00",""
"4087001","15.647","0.002","11.5537","0.0016","16.847","0.002","90","","102.994","0.0018","90","","2967.6","0.7","100","2","100","2","","","","","","","","8","P 1 21/n 1","-P 2yn","14","","","","- C52 H92 F2 Fe2 N4 O2 Si4 Y2 -","- C52 H92 F2 Fe2 N4 O2 Si4 Y2 -","- C104 H184 F4 Fe4 N8 O4 Si8 Y4 -","2","0.5","","Huang, Wenliang; Diaconescu, Paula L.","Aromatic C‒F Bond Activation by Rare-Earth-Metal Complexes","Organometallics","2017","36","1","89","","10.1021/acs.organomet.6b00661","","","0.71073","MoKα","","0.0579","0.0416","","","0.1033","0.1095","","","","","","1.058","","","","has coordinates,has disorder","191292","2020-10-21","18:00:00",""
"4087002","15.494","0.003","11.624","0.003","16.746","0.004","90","","102.539","0.002","90","","2944.1","1.2","100","2","100","2","","","","","","","","8","P 1 21/n 1","-P 2yn","14","","","","- C52 H92 F2 Fe2 Lu2 N4 O2 Si4 -","- C52 H92 F2 Fe2 Lu2 N4 O2 Si4 -","- C104 H184 F4 Fe4 Lu4 N8 O4 Si8 -","2","0.5","","Huang, Wenliang; Diaconescu, Paula L.","Aromatic C‒F Bond Activation by Rare-Earth-Metal Complexes","Organometallics","2017","36","1","89","","10.1021/acs.organomet.6b00661","","","0.71073","MoKα","","0.0673","0.0548","","","0.1266","0.1297","","","","","","1.242","","","","has coordinates,has disorder","191292","2020-10-21","18:00:00",""
"4087003","9.481","0.002","19.524","0.005","17.101","0.004","90","","91.465","0.004","90","","3164.5","1.3","100","2","100","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C33 H46 Cl O P2 Rh -","- C33 H46 Cl O P2 Rh -","- C132 H184 Cl4 O4 P8 Rh4 -","4","1","","Curto, Sheila G.; Esteruelas, Miguel A.; Oliván, Montserrat; Oñate, Enrique; Vélez, Andrea","Selective C‒Cl Bond Oxidative Addition of Chloroarenes to a POP‒Rhodium Complex","Organometallics","2017","36","1","114","","10.1021/acs.organomet.6b00615","","","0.71073","MoKα","","0.0921","0.0503","","","0.1058","0.1208","","","","","","0.998","","","","has coordinates,has disorder","191293","2020-10-21","18:00:00",""
"4087004","14.6602","0.0004","20.0564","0.0007","21.1865","0.0008","90","","90","","90","","6229.5","0.4","150.05","0.1","150","2","","","","","","","","6","P b c a","-P 2ac 2ab","61","","","","- C33 H44 F O P2 Rh -","- C33 H44 F O P2 Rh -","- C264 H352 F8 O8 P16 Rh8 -","8","1","","Curto, Sheila G.; Esteruelas, Miguel A.; Oliván, Montserrat; Oñate, Enrique; Vélez, Andrea","Selective C‒Cl Bond Oxidative Addition of Chloroarenes to a POP‒Rhodium Complex","Organometallics","2017","36","1","114","","10.1021/acs.organomet.6b00615","","x-ray","0.71073","MoKα","","0.1199","0.0532","","","0.0841","0.1084","","","","","","1.027","","","","has coordinates","191293","2020-10-21","18:00:00",""
"4087005","14.7544","0.0011","19.8932","0.0016","21.5065","0.0017","90","","90","","90","","6312.4","0.9","100","2","100","2","","","","","","","","6","P b c a","-P 2ac 2ab","61","","","","- C33 H44 Cl O P2 Rh -","- C33 H44 Cl O P2 Rh -","- C264 H352 Cl8 O8 P16 Rh8 -","8","1","","Curto, Sheila G.; Esteruelas, Miguel A.; Oliván, Montserrat; Oñate, Enrique; Vélez, Andrea","Selective C‒Cl Bond Oxidative Addition of Chloroarenes to a POP‒Rhodium Complex","Organometallics","2017","36","1","114","","10.1021/acs.organomet.6b00615","","","0.71073","MoKα","","0.0885","0.0479","","","0.081","0.0948","","","","","","1.037","","","","has coordinates","191293","2020-10-21","18:00:00",""
"4087006","11.854","0.003","23.722","0.006","12.685","0.003","90","","112.216","0.004","90","","3302.2","1.4","100","2","100","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C33 H44 Cl3 O P2 Rh -","- C33 H44 Cl3 O P2 Rh -","- C132 H176 Cl12 O4 P8 Rh4 -","4","1","","Curto, Sheila G.; Esteruelas, Miguel A.; Oliván, Montserrat; Oñate, Enrique; Vélez, Andrea","Selective C‒Cl Bond Oxidative Addition of Chloroarenes to a POP‒Rhodium Complex","Organometallics","2017","36","1","114","","10.1021/acs.organomet.6b00615","","","0.71073","MoKα","","0.1309","0.0579","","","0.1222","0.152","","","","","","1.029","","","","has coordinates,has disorder","191293","2020-10-21","18:00:00",""
"4087007","47.708","0.008","12.228","0.002","33.505","0.005","90","","133.874","0.002","90","","14090","4","173","2","173","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C34.5 H47 Cl3 O1.5 P2 Rh -","- C34.5 H47 Cl3 O1.5 P2 Rh -","- C552 H752 Cl48 O24 P32 Rh16 -","16","2","","Curto, Sheila G.; Esteruelas, Miguel A.; Oliván, Montserrat; Oñate, Enrique; Vélez, Andrea","Selective C‒Cl Bond Oxidative Addition of Chloroarenes to a POP‒Rhodium Complex","Organometallics","2017","36","1","114","","10.1021/acs.organomet.6b00615","","","0.71073","MoKα","","0.0815","0.0622","","","0.1527","0.1613","","","","","","1.113","","","","has coordinates,has disorder","191293","2020-10-21","18:00:00",""
"4087008","14.9955","0.001","10.3337","0.0006","18.7133","0.0012","90","","91.386","0.003","90","","2898.9","0.3","100","0.2","100","0.2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C30 H47 B F3 P Pd -","- C30 H47 B F3 P Pd -","- C120 H188 B4 F12 P4 Pd4 -","4","1","","Tchawou, Augustin A. S. W.; Raducan, Mihai; Chen, Peter","Mechanism-Based Design and Optimization of a Catalytic Electrophilic Cyclopropanation without Diazomethane","Organometallics","2017","36","1","180","","10.1021/acs.organomet.6b00531","","x-ray","0.71073","MoKα","","0.0712","0.0409","","","0.0714","0.08","","","","","","1.033","","","","has coordinates","191294","2020-10-21","18:00:00",""
"4087009","8.281","0.0012","11.426","0.0019","14.823","0.002","67.454","0.008","77.603","0.009","78.785","0.009","1255.3","0.3","250","2","250","2","","","","","","","","4","P -1","-P 1","2","","","","- C22 H38 Mg N6 -","- C22 H38 Mg N6 -","- C44 H76 Mg2 N12 -","2","1","","Garcés, Andrés; Sánchez-Barba, Luis F.; Fernández-Baeza, Juan; Otero, Antonio; Lara-Sánchez, Agustín; Rodríguez, Ana M.","Studies on Multinuclear Magnesium tert-Butyl Heteroscorpionates: Synthesis, Coordination Ability, and Heteroselective Ring-Opening Polymerization of rac-Lactide","Organometallics","2017","36","4","884","","10.1021/acs.organomet.6b00934","","","0.71073","MoKα","","0.1176","0.0655","","","0.161","0.1956","","","","","","0.943","","","","has coordinates","193614","2020-10-21","18:00:00",""
"4087010","29.4357","0.001","17.3456","0.0005","14.5806","0.0004","90","","117.559","0.002","90","","6599.9","0.4","180","2","180","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C32 H41 Li N6 O1.5 -","- C32 H41 Li N6 O1.5 -","- C256 H328 Li8 N48 O12 -","8","1","","Garcés, Andrés; Sánchez-Barba, Luis F.; Fernández-Baeza, Juan; Otero, Antonio; Lara-Sánchez, Agustín; Rodríguez, Ana M.","Studies on Multinuclear Magnesium tert-Butyl Heteroscorpionates: Synthesis, Coordination Ability, and Heteroselective Ring-Opening Polymerization of rac-Lactide","Organometallics","2017","36","4","884","","10.1021/acs.organomet.6b00934","","","0.71073","MoKα","","0.1242","0.0641","","","0.1788","0.2144","","","","","","1.006","","","","has coordinates,has disorder","193614","2020-10-21","18:00:00",""
"4087011","12.3315","0.0006","13.9898","0.0007","15.2758","0.0007","90","","91.561","0.002","90","","2634.3","0.2","100","2","100","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C24 H42 Mg N6 -","- C24 H42 Mg N6 -","- C96 H168 Mg4 N24 -","4","1","","Garcés, Andrés; Sánchez-Barba, Luis F.; Fernández-Baeza, Juan; Otero, Antonio; Lara-Sánchez, Agustín; Rodríguez, Ana M.","Studies on Multinuclear Magnesium tert-Butyl Heteroscorpionates: Synthesis, Coordination Ability, and Heteroselective Ring-Opening Polymerization of rac-Lactide","Organometallics","2017","36","4","884","","10.1021/acs.organomet.6b00934","","","0.71073","MoKα","","0.0468","0.0367","","","0.0989","0.1031","","","","","","1.077","","","","has coordinates","193614","2020-10-21","18:00:00",""
"4087012","12.6982","0.0016","13.5024","0.0016","14.0702","0.0016","67.473","0.005","85.167","0.006","80.586","0.006","2197.7","0.5","250","2","250","2","","","","","","","","4","P -1","-P 1","2","","","","- C45 H69 Mg N6 -","- C45 H69 Mg N6 -","- C90 H138 Mg2 N12 -","2","1","","Garcés, Andrés; Sánchez-Barba, Luis F.; Fernández-Baeza, Juan; Otero, Antonio; Lara-Sánchez, Agustín; Rodríguez, Ana M.","Studies on Multinuclear Magnesium tert-Butyl Heteroscorpionates: Synthesis, Coordination Ability, and Heteroselective Ring-Opening Polymerization of rac-Lactide","Organometallics","2017","36","4","884","","10.1021/acs.organomet.6b00934","","","0.71073","MoKα","","0.0745","0.046","","","0.1051","0.1208","","","","","","1.012","","","","has coordinates,has disorder","193614","2020-10-21","18:00:00",""
"4087013","12.359","0.005","13.722","0.006","14.25","0.006","80.692","0.008","71.671","0.009","72.856","0.008","2185.8","1.6","180","2","180","2","","","","","","","","5","P -1","-P 1","2","","","","- C81 H132 Mg4 N12 O4 -","- C81 H132 Mg4 N12 O4 -","- C81 H132 Mg4 N12 O4 -","1","0.5","","Garcés, Andrés; Sánchez-Barba, Luis F.; Fernández-Baeza, Juan; Otero, Antonio; Lara-Sánchez, Agustín; Rodríguez, Ana M.","Studies on Multinuclear Magnesium tert-Butyl Heteroscorpionates: Synthesis, Coordination Ability, and Heteroselective Ring-Opening Polymerization of rac-Lactide","Organometallics","2017","36","4","884","","10.1021/acs.organomet.6b00934","","","0.71073","MoKα","","0.2094","0.1141","","","0.2646","0.3149","","","","","","1.046","","","","has coordinates,has disorder","193614","2020-10-21","18:00:00",""
"4087014","13.935","0.004","17.911","0.006","18.857","0.005","90","","110.35","0.006","90","","4413","2","250","2","250","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C42 H62 Mg2 N6 O2 -","- C42 H62 Mg2 N6 O2 -","- C168 H248 Mg8 N24 O8 -","4","0.5","","Garcés, Andrés; Sánchez-Barba, Luis F.; Fernández-Baeza, Juan; Otero, Antonio; Lara-Sánchez, Agustín; Rodríguez, Ana M.","Studies on Multinuclear Magnesium tert-Butyl Heteroscorpionates: Synthesis, Coordination Ability, and Heteroselective Ring-Opening Polymerization of rac-Lactide","Organometallics","2017","36","4","884","","10.1021/acs.organomet.6b00934","","","0.71073","MoKα","","0.2581","0.0731","","","0.18","0.2784","","","","","","0.871","","","","has coordinates,has disorder","193614","2020-10-21","18:00:00",""
"4087015","13.1941","0.0007","20.713","0.0012","20.9225","0.0013","90","","106.251","0.002","90","","5489.4","0.6","250","2","250","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C50 H79 Mg2 N6 -","- C50 H79 Mg2 N6 -","- C200 H316 Mg8 N24 -","4","1","","Garcés, Andrés; Sánchez-Barba, Luis F.; Fernández-Baeza, Juan; Otero, Antonio; Lara-Sánchez, Agustín; Rodríguez, Ana M.","Studies on Multinuclear Magnesium tert-Butyl Heteroscorpionates: Synthesis, Coordination Ability, and Heteroselective Ring-Opening Polymerization of rac-Lactide","Organometallics","2017","36","4","884","","10.1021/acs.organomet.6b00934","","","0.71073","MoKα","","0.1176","0.0668","","","0.1742","0.2042","","","","","","1.024","","","","has coordinates,has disorder","193614","2020-10-21","18:00:00",""
"4087016","12.7971","0.0006","30.4929","0.0016","13.3628","0.0007","90","","110.375","0.002","90","","4888.2","0.4","180","2","180","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C42 H80 Mg3 N6 O3 -","- C42 H80 Mg3 N6 O3 -","- C168 H320 Mg12 N24 O12 -","4","1","","Garcés, Andrés; Sánchez-Barba, Luis F.; Fernández-Baeza, Juan; Otero, Antonio; Lara-Sánchez, Agustín; Rodríguez, Ana M.","Studies on Multinuclear Magnesium tert-Butyl Heteroscorpionates: Synthesis, Coordination Ability, and Heteroselective Ring-Opening Polymerization of rac-Lactide","Organometallics","2017","36","4","884","","10.1021/acs.organomet.6b00934","","","0.71073","MoKα","","0.1047","0.0613","","","0.1554","0.1832","","","","","","1.024","","","","has coordinates,has disorder","193614","2020-10-21","18:00:00",""
"4087017","11.4524","0.0006","21.4998","0.0012","11.8603","0.0007","90","","112.366","0.002","90","","2700.6","0.3","150","2","150","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C48 H100 Mg2 N8 O4 -","- C48 H100 Mg2 N8 O4 -","- C96 H200 Mg4 N16 O8 -","2","1","","Hua, Yupeng; Guo, Zhiqiang; Han, Hongfei; Wei, Xuehong","N,N,O-Tridentate Mixed Lithium‒Magnesium and Lithium‒Aluminum Complexes: Synthesis, Characterization, and Catalytic Activities","Organometallics","2017","36","4","877","","10.1021/acs.organomet.6b00921","","","0.71073","MoKα","","0.0815","0.0549","","","0.1149","0.1272","","","","","","1.02","","","","has coordinates","193610","2020-10-21","18:00:00",""
"4087018","10.8063","0.0003","20.6506","0.0006","20.8643","0.0007","90","","98.575","0.001","90","","4604","0.2","150","2","150","2","","","","","","","","6","P 1 c 1","P -2yc","7","","","","- C40 H85 Li2 Mg2 N4 O2 -","- C40 H85 Li2 Mg2 N4 O2 -","- C160 H340 Li8 Mg8 N16 O8 -","4","2","","Hua, Yupeng; Guo, Zhiqiang; Han, Hongfei; Wei, Xuehong","N,N,O-Tridentate Mixed Lithium‒Magnesium and Lithium‒Aluminum Complexes: Synthesis, Characterization, and Catalytic Activities","Organometallics","2017","36","4","877","","10.1021/acs.organomet.6b00921","","","0.71073","MoKα","","0.1053","0.077","","","0.198","0.2214","","","","","","1.02","","","","has coordinates","193610","2020-10-21","18:00:00",""
"4087019","12.3602","0.0004","18.6577","0.0006","14.28","0.0004","90","","98.398","0.001","90","","3257.84","0.17","73","2","73","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C56 H118 Li6 Mg2 N8 O6 -","- C56 H118 Li6 Mg2 N8 O6 -","- C112 H236 Li12 Mg4 N16 O12 -","2","0.5","","Hua, Yupeng; Guo, Zhiqiang; Han, Hongfei; Wei, Xuehong","N,N,O-Tridentate Mixed Lithium‒Magnesium and Lithium‒Aluminum Complexes: Synthesis, Characterization, and Catalytic Activities","Organometallics","2017","36","4","877","","10.1021/acs.organomet.6b00921","","","0.71073","MoKα","","0.0912","0.0645","","","0.1666","0.1862","","","","","","1.04","","","","has coordinates","193610","2020-10-21","18:00:00",""
"4087020","10.726","0.003","10.944","0.003","19.524","0.005","90","","103.864","0.008","90","","2225.1","1","200","2","200","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C18 H40 Al Li N2 O -","- C18 H40 Al Li N2 O -","- C72 H160 Al4 Li4 N8 O4 -","4","1","","Hua, Yupeng; Guo, Zhiqiang; Han, Hongfei; Wei, Xuehong","N,N,O-Tridentate Mixed Lithium‒Magnesium and Lithium‒Aluminum Complexes: Synthesis, Characterization, and Catalytic Activities","Organometallics","2017","36","4","877","","10.1021/acs.organomet.6b00921","","","0.71073","MoKα","","0.1172","0.072","","","0.1785","0.2054","","","","","","1.044","","","","has coordinates","193610","2020-10-21","18:00:00",""
"4087021","11.6445","0.0011","10.8813","0.0011","20.288","0.002","90","","105.151","0.003","90","","2481.3","0.4","200","2","200","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C21 H46 Al Li N2 O -","- C21 H46 Al Li N2 O -","- C84 H184 Al4 Li4 N8 O4 -","4","1","","Hua, Yupeng; Guo, Zhiqiang; Han, Hongfei; Wei, Xuehong","N,N,O-Tridentate Mixed Lithium‒Magnesium and Lithium‒Aluminum Complexes: Synthesis, Characterization, and Catalytic Activities","Organometallics","2017","36","4","877","","10.1021/acs.organomet.6b00921","","","0.71073","MoKα","","0.1248","0.0681","","","0.1343","0.1617","","","","","","1.001","","","","has coordinates","193610","2020-10-21","18:00:00",""
"4087022","11.0781","0.0001","17.6947","0.0002","25.0413","0.0003","90","","90","","90","","4908.69","0.09","100","2","100","2","","","","","","","","7","P 21 21 21","P 2ac 2ab","19","","","","- C56 H72 B Cl2 F4 Ir N2 -","- C56 H72 B Cl2 F4 Ir N2 -","- C224 H288 B4 Cl8 F16 Ir4 N8 -","4","1","","Sipos, Gellért; Gao, Pengchao; Foster, Daven; Skelton, Brian W.; Sobolev, Alexandre N.; Dorta, Reto","In-Depth Study on Chloride Abstractions from (NHC)Ir(COD)Cl Complexes","Organometallics","2017","36","4","801","","10.1021/acs.organomet.6b00864","","x-ray","0.71073","MoKα","","0.0393","0.0341","","","0.0642","0.0667","","","","","","1.034","","","","has coordinates","193612","2020-10-21","18:00:00",""
"4087023","11.0054","0.0003","14.5748","0.0003","18.979","0.0004","95.964","0.002","106.586","0.002","110.697","0.002","2657.14","0.12","100","2","100","2","","","","","","","","7","P -1","-P 1","2","","","","- C57 H70 F6 Ir N3 O4 S2 -","- C57 H70 F6 Ir N3 O4 S2 -","- C114 H140 F12 Ir2 N6 O8 S4 -","2","1","","Sipos, Gellért; Gao, Pengchao; Foster, Daven; Skelton, Brian W.; Sobolev, Alexandre N.; Dorta, Reto","In-Depth Study on Chloride Abstractions from (NHC)Ir(COD)Cl Complexes","Organometallics","2017","36","4","801","","10.1021/acs.organomet.6b00864","","x-ray","0.71073","MoKα","","0.0312","0.0272","","","0.0604","0.0623","","","","","","1.031","","","","has coordinates","193612","2020-10-21","18:00:00",""
"4087024","18.7433","0.0004","16.2961","0.0002","20.917","0.0004","90","","114.668","0.002","90","","5805.9","0.2","100","2","100","2","","","","","","","","9","P 1 21/c 1","-P 2ybc","14","","","","- C58 H74 Ag Cl5 F3 Ir N2 O3 S -","- C58 H74 Ag Cl5 F3 Ir N2 O3 S -","- C232 H296 Ag4 Cl20 F12 Ir4 N8 O12 S4 -","4","1","","Sipos, Gellért; Gao, Pengchao; Foster, Daven; Skelton, Brian W.; Sobolev, Alexandre N.; Dorta, Reto","In-Depth Study on Chloride Abstractions from (NHC)Ir(COD)Cl Complexes","Organometallics","2017","36","4","801","","10.1021/acs.organomet.6b00864","","x-ray","0.71073","MoKα","","0.0415","0.0303","","","0.0684","0.0733","","","","","","1.051","","","","has coordinates,has disorder","193612","2020-10-21","18:00:00",""
"4087025","16.1808","0.0002","20.6128","0.0002","18.5105","0.0002","90","","114.452","0.002","90","","5620.1","0.14","100","2","100","2","","","","","","","","9","P 1 21/n 1","-P 2yn","14","","","","- C61 H82 Ag Cl F3 Ir N2 O3 S -","- C61 H82 Ag Cl F3 Ir N2 O3 S -","- C244 H328 Ag4 Cl4 F12 Ir4 N8 O12 S4 -","4","1","","Sipos, Gellért; Gao, Pengchao; Foster, Daven; Skelton, Brian W.; Sobolev, Alexandre N.; Dorta, Reto","In-Depth Study on Chloride Abstractions from (NHC)Ir(COD)Cl Complexes","Organometallics","2017","36","4","801","","10.1021/acs.organomet.6b00864","","x-ray","0.71073","MoKα","","0.0507","0.0383","","","0.0827","0.0863","","","","","","1.102","","","","has coordinates","193612","2020-10-21","18:00:00",""
"4087026","16.7464","0.0003","18.2332","0.0005","20.9597","0.0004","89.514","0.002","89.168","0.002","65.3","0.002","5813.7","0.2","100","2","100","2","","","","","","","","10","P -1","-P 1","2","","","","- C65 H70 Ag Cl D9 F3 Ir N2 O3 S -","- C65 H70 Ag Cl D9 F3 Ir N2 O3 S -","- C260 H280 Ag4 Cl4 D36 F12 Ir4 N8 O12 S4 -","4","2","","Sipos, Gellért; Gao, Pengchao; Foster, Daven; Skelton, Brian W.; Sobolev, Alexandre N.; Dorta, Reto","In-Depth Study on Chloride Abstractions from (NHC)Ir(COD)Cl Complexes","Organometallics","2017","36","4","801","","10.1021/acs.organomet.6b00864","","x-ray","0.71073","MoKα","","0.0545","0.0449","","","0.1068","0.1109","","","","","","1.071","","","","has coordinates,has disorder","193612","2020-10-21","18:00:00",""
"4087027","16.8311","0.0002","21.1376","0.0002","18.4273","0.0002","90","","115.288","0.002","90","","5927.63","0.15","200","2","200","2","","","","","","","","10","P 1 21/n 1","-P 2yn","14","","","","- C65 H70 Ag Cl D9 F3 Ir N2 O3 S -","- C65 H70 Ag Cl D9 F3 Ir N2 O3 S -","- C260 H280 Ag4 Cl4 D36 F12 Ir4 N8 O12 S4 -","4","1","","Sipos, Gellért; Gao, Pengchao; Foster, Daven; Skelton, Brian W.; Sobolev, Alexandre N.; Dorta, Reto","In-Depth Study on Chloride Abstractions from (NHC)Ir(COD)Cl Complexes","Organometallics","2017","36","4","801","","10.1021/acs.organomet.6b00864","","x-ray","0.71073","MoKα","","0.0497","0.0342","","","0.0737","0.0806","","","","","","1.059","","","","has coordinates,has disorder","193612","2020-10-21","18:00:00",""
"4087028","10.8668","0.0002","16.5355","0.0003","29.5188","0.0005","90","","94.212","0.002","90","","5289.85","0.16","200","2","200","2","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C58 H72 Cl2 F3 Ir N2 O2 -","- C58 H72 Cl2 F3 Ir N2 O2 -","- C232 H288 Cl8 F12 Ir4 N8 O8 -","4","1","","Sipos, Gellért; Gao, Pengchao; Foster, Daven; Skelton, Brian W.; Sobolev, Alexandre N.; Dorta, Reto","In-Depth Study on Chloride Abstractions from (NHC)Ir(COD)Cl Complexes","Organometallics","2017","36","4","801","","10.1021/acs.organomet.6b00864","","x-ray","0.71073","MoKα","","0.0642","0.042","","","0.0916","0.0992","","","","","","1.041","","","","has coordinates,has disorder","193612","2020-10-21","18:00:00",""
"4087029","18.0827","0.0002","17.8237","0.0002","20.6495","0.0002","90","","114.936","0.002","90","","6034.93","0.15","100","2","100","2","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C59.75 H78.51 Cl5.51 F6 Ir N3 P -","- C59.753 H78.506 Cl5.506 F6 Ir N3 P -","- C239.012 H314.024 Cl22.024 F24 Ir4 N12 P4 -","4","1","","Sipos, Gellért; Gao, Pengchao; Foster, Daven; Skelton, Brian W.; Sobolev, Alexandre N.; Dorta, Reto","In-Depth Study on Chloride Abstractions from (NHC)Ir(COD)Cl Complexes","Organometallics","2017","36","4","801","","10.1021/acs.organomet.6b00864","","x-ray","0.71073","MoKα","","0.0503","0.0369","","","0.0815","0.0889","","","","","","1.041","","","","has coordinates,has disorder","193612","2020-10-21","18:00:00",""
"4087030","14.3668","0.0002","13.4725","0.0001","29.5799","0.0003","90","","102.444","0.001","90","","5590.88","0.11","200","2","200","2","","","","","","","","8","P 1 21/n 1","-P 2yn","14","","","","- C59 H75 Cl2 F3 Ir N3 O3 S -","- C59 H75 Cl2 F3 Ir N3 O3 S -","- C236 H300 Cl8 F12 Ir4 N12 O12 S4 -","4","1","","Sipos, Gellért; Gao, Pengchao; Foster, Daven; Skelton, Brian W.; Sobolev, Alexandre N.; Dorta, Reto","In-Depth Study on Chloride Abstractions from (NHC)Ir(COD)Cl Complexes","Organometallics","2017","36","4","801","","10.1021/acs.organomet.6b00864","","x-ray","0.71073","MoKα","","0.0512","0.04","","","0.0919","0.0982","","","","","","1.053","","","","has coordinates,has disorder","193612","2020-10-21","18:00:00",""
"4087031","17.9388","0.0004","13.4058","0.0002","22.2496","0.0006","90","","99.62","0.002","90","","5275.4","0.2","100","2","100","2","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C58 H76 F6 Ir N2 O P -","- C58 H76 F6 Ir N2 O P -","- C232 H304 F24 Ir4 N8 O4 P4 -","4","1","","Sipos, Gellért; Gao, Pengchao; Foster, Daven; Skelton, Brian W.; Sobolev, Alexandre N.; Dorta, Reto","In-Depth Study on Chloride Abstractions from (NHC)Ir(COD)Cl Complexes","Organometallics","2017","36","4","801","","10.1021/acs.organomet.6b00864","","","0.71073","MoKα","","0.0692","0.0478","","","0.1137","0.1303","","","","","","1.005","","","","has coordinates","193612","2020-10-21","18:00:00",""
"4087032","21.6624","0.0002","23.31","0.0002","27.8114","0.0004","90","","102.856","0.001","90","","13691.3","0.3","100","2","100","2","","","","","","","","8","P 1 21/c 1","-P 2ybc","14","","","","- C76 H94 Ag Cl F6 Ir N2 P -","- C76 H94 Ag Cl F6 Ir N2 P -","- C608 H752 Ag8 Cl8 F48 Ir8 N16 P8 -","8","2","","Sipos, Gellért; Gao, Pengchao; Foster, Daven; Skelton, Brian W.; Sobolev, Alexandre N.; Dorta, Reto","In-Depth Study on Chloride Abstractions from (NHC)Ir(COD)Cl Complexes","Organometallics","2017","36","4","801","","10.1021/acs.organomet.6b00864","","x-ray","1.54178","CuKα","","0.1006","0.0801","","","0.1873","0.1996","","","","","","1.122","","","","has coordinates,has disorder","193612","2020-10-21","18:00:00",""
"4087033","17.1884","0.0009","15.332","0.0008","30.0582","0.0017","90","","101.763","0.006","90","","7755","0.7","100","2","100","2","","","","","","","","8","P 1 21/n 1","-P 2yn","14","","","","- C79.5 H98 Ag Cl F6 Ir N2 P -","- C79.5 H98 Ag Cl F6 Ir N2 P -","- C318 H392 Ag4 Cl4 F24 Ir4 N8 P4 -","4","1","","Sipos, Gellért; Gao, Pengchao; Foster, Daven; Skelton, Brian W.; Sobolev, Alexandre N.; Dorta, Reto","In-Depth Study on Chloride Abstractions from (NHC)Ir(COD)Cl Complexes","Organometallics","2017","36","4","801","","10.1021/acs.organomet.6b00864","","x-ray","1.54178","CuKα","","0.1671","0.0972","","","0.2348","0.276","","","","","","0.977","","","","has coordinates,has disorder","193612","2020-10-21","18:00:00",""
"4087034","20.0596","0.0003","15.4526","0.0001","20.0168","0.0002","90","","103.447","0.001","90","","6034.57","0.12","100","2","100","2","","","","","","","","9","P 1 21/c 1","-P 2ybc","14","","","","- C64 H78 Ag Cl F6 Ir N3 O4 S2 -","- C64 H78 Ag Cl F6 Ir N3 O4 S2 -","- C256 H312 Ag4 Cl4 F24 Ir4 N12 O16 S8 -","4","1","","Sipos, Gellért; Gao, Pengchao; Foster, Daven; Skelton, Brian W.; Sobolev, Alexandre N.; Dorta, Reto","In-Depth Study on Chloride Abstractions from (NHC)Ir(COD)Cl Complexes","Organometallics","2017","36","4","801","","10.1021/acs.organomet.6b00864","","x-ray","1.54178","CuKα","","0.0528","0.0399","","","0.1005","0.11","","","","","","1.035","","","","has coordinates,has disorder","193612","2020-10-21","18:00:00",""
"4087035","9.2693","0.0007","15.9085","0.0012","18.2694","0.0014","90","","90","","90","","2694","0.4","123","","123","","","","","","","","Viktor Hoffmann","3","P 21 21 21","P 2ac 2ab","19","","","","- C40 H24 Fe2 -","- C40 H24 Fe2 -","- C160 H96 Fe8 -","4","1","","Hoffmann, Viktor; le Pleux, Loïc; Häussinger, Daniel; Unke, Oliver T.; Prescimone, Alessandro; Mayor, Marcel","Deltoid versus Rhomboid: Controlling the Shape of Bis-ferrocene Macrocycles by the Bulkiness of the Substituents","Organometallics","2017","36","4","858","","10.1021/acs.organomet.6b00909","","","1.54178","CuKα","","0.0392","0.0328","","0.0812","0.0747","0.0812","","","","","","0.8648","","","","has coordinates","193608","2020-10-21","18:00:00",""
"4087036","9.073","0.005","26.65","0.005","6.921","0.005","90","0.005","109.955","0.005","90","0.005","1573","1.5","100","","100","","","","","","","","synthetic","6","P 1 21/c 1","-P 2ybc","14","[Re(impy)(CO)3Br]","[Re(impy)(CO)3Br]","","- C16 H12 Br N2 O3 Re -","- C16 H12 Br N2 O3 Re -","- C64 H48 Br4 N8 O12 Re4 -","4","1","","Stichauer, Rasmus; Helmers, Arne; Bremer, Jennifer; Rohdenburg, Markus; Wark, André; Lork, Enno; Vogt, Matthias","Rhenium(I) Triscarbonyl Complexes with Redox-Active Amino- and Iminopyridine Ligands: Metal‒Ligand Cooperation as Trigger for the Reversible Binding of CO2 via a Dearmomatization/Rearomatization Reaction Sequence","Organometallics","2017","36","4","839","","10.1021/acs.organomet.6b00897","","x-ray","0.71073","MoKα","","0.0183","0.016","","","0.0322","0.0326","","","","","","1.108","","","","has coordinates","193609","2020-10-21","18:00:00",""
"4087037","18.099","0.005","12.674","0.005","7.424","0.005","90","0.005","101.784","0.005","90","0.005","1667.1","1.4","100","","100","","","","","","","","synthetic","6","P 1 21/c 1","-P 2ybc","14","[Re(ampy)(CO)3Br]","[Re(ampy)(CO)3Br]","","- C16 H14 Br N2 O3 Re -","- C16 H14 Br N2 O3 Re -","- C64 H56 Br4 N8 O12 Re4 -","4","1","","Stichauer, Rasmus; Helmers, Arne; Bremer, Jennifer; Rohdenburg, Markus; Wark, André; Lork, Enno; Vogt, Matthias","Rhenium(I) Triscarbonyl Complexes with Redox-Active Amino- and Iminopyridine Ligands: Metal‒Ligand Cooperation as Trigger for the Reversible Binding of CO2 via a Dearmomatization/Rearomatization Reaction Sequence","Organometallics","2017","36","4","839","","10.1021/acs.organomet.6b00897","","x-ray","0.71073","MoKα","","0.0807","0.042","","","0.0619","0.07","","","","","","1.039","","","","has coordinates","193609","2020-10-21","18:00:00",""
"4087038","9.0036","0.0002","15.8691","0.0004","22.8729","0.0006","90","","94.665","0.001","90","","3257.23","0.14","100","","100","","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C29 H36 K N2 O11 Re -","- C29 H36 K N2 O11 Re -","- C116 H144 K4 N8 O44 Re4 -","4","1","","Stichauer, Rasmus; Helmers, Arne; Bremer, Jennifer; Rohdenburg, Markus; Wark, André; Lork, Enno; Vogt, Matthias","Rhenium(I) Triscarbonyl Complexes with Redox-Active Amino- and Iminopyridine Ligands: Metal‒Ligand Cooperation as Trigger for the Reversible Binding of CO2 via a Dearmomatization/Rearomatization Reaction Sequence","Organometallics","2017","36","4","839","","10.1021/acs.organomet.6b00897","","x-ray","0.71073","MoKα","","0.0478","0.0393","","","0.0776","0.0804","","","","","","1.167","","","","has coordinates,has disorder","193609","2020-10-21","18:00:00",""
"4087039","13.1228","0.0009","9.5992","0.0007","16.39","0.0011","90","","102.419","0.001","90","","2016.3","0.2","120","2","120","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C14 H32 B9 Ir S -","- C14 H32 B9 Ir S -","- C56 H128 B36 Ir4 S4 -","4","1","","Vinogradov, Mikhail M.; Nelyubina, Yulia V.; Pavlov, Alexander A.; Novikov, Valentin V.; Shvydkiy, Nikita V.; Kudinov, Alexander R.","Polyhedral Rearrangements in the Complexes of Rhodium and Iridium with Isomeric Carborane Anions [7,8-Me2-X-SMe2-7,8-nido-C2B9H8]− (X = 9 and 10)","Organometallics","2017","36","4","791","","10.1021/acs.organomet.6b00858","","","0.71073","MoKα","","0.0309","0.0219","","","0.0424","0.0457","","","","","","1.026","","","","has coordinates","193607","2020-10-21","18:00:00",""
"4087040","10.174","0.002","10.385","0.002","11.252","0.003","91.834","0.004","94.852","0.004","100.624","0.004","1162.9","0.4","120","2","120","2","","","","","","","","7","P -1","-P 1","2","","","","- C16 H35 B9 Ir N O3 S -","- C16 H35 B9 Ir N O3 S -","- C32 H70 B18 Ir2 N2 O6 S2 -","2","1","","Vinogradov, Mikhail M.; Nelyubina, Yulia V.; Pavlov, Alexander A.; Novikov, Valentin V.; Shvydkiy, Nikita V.; Kudinov, Alexander R.","Polyhedral Rearrangements in the Complexes of Rhodium and Iridium with Isomeric Carborane Anions [7,8-Me2-X-SMe2-7,8-nido-C2B9H8]− (X = 9 and 10)","Organometallics","2017","36","4","791","","10.1021/acs.organomet.6b00858","","","0.71073","MoKα","","0.086","0.0546","","","0.1047","0.1162","","","","","","0.996","","","","has coordinates,has disorder","193607","2020-10-21","18:00:00",""
"4087041","7.2579","0.0005","10.0699","0.0007","14.6193","0.001","79.285","0.001","76.621","0.001","71.41","0.001","977.92","0.12","120","2","120","2","","","","","","","","5","P -1","-P 1","2","","","","- C14 H32 B9 Ir S -","- C14 H32 B9 Ir S -","- C28 H64 B18 Ir2 S2 -","2","1","","Vinogradov, Mikhail M.; Nelyubina, Yulia V.; Pavlov, Alexander A.; Novikov, Valentin V.; Shvydkiy, Nikita V.; Kudinov, Alexander R.","Polyhedral Rearrangements in the Complexes of Rhodium and Iridium with Isomeric Carborane Anions [7,8-Me2-X-SMe2-7,8-nido-C2B9H8]− (X = 9 and 10)","Organometallics","2017","36","4","791","","10.1021/acs.organomet.6b00858","","","0.71073","MoKα","","0.0405","0.0354","","","0.085","0.0883","","","","","","1.076","","","","has coordinates","193607","2020-10-21","18:00:00",""
"4087042","15.0257","0.0007","10.0797","0.0005","14.1728","0.0007","90","","90","","90","","2146.54","0.18","120","2","120","2","","","","","","","","5","P c a 21","P 2c -2ac","29","","","","- C16 H35 B9 Ru S -","- C16 H35 B9 Ru S -","- C64 H140 B36 Ru4 S4 -","4","1","","Vinogradov, Mikhail M.; Nelyubina, Yulia V.; Pavlov, Alexander A.; Novikov, Valentin V.; Shvydkiy, Nikita V.; Kudinov, Alexander R.","Polyhedral Rearrangements in the Complexes of Rhodium and Iridium with Isomeric Carborane Anions [7,8-Me2-X-SMe2-7,8-nido-C2B9H8]− (X = 9 and 10)","Organometallics","2017","36","4","791","","10.1021/acs.organomet.6b00858","","","0.71073","MoKα","","0.0283","0.0255","","","0.0589","0.0606","","","","","","1.021","","","","has coordinates","193607","2020-10-21","18:00:00",""
"4087043","8.3766","0.0006","9.7911","0.0007","13.793","0.001","99.404","0.001","94.814","0.001","111.858","0.001","1022.79","0.13","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","","","- C15 H32 B9 Ir S -","- C15 H32 B9 Ir S -","- C30 H64 B18 Ir2 S2 -","2","1","","Vinogradov, Mikhail M.; Nelyubina, Yulia V.; Pavlov, Alexander A.; Novikov, Valentin V.; Shvydkiy, Nikita V.; Kudinov, Alexander R.","Polyhedral Rearrangements in the Complexes of Rhodium and Iridium with Isomeric Carborane Anions [7,8-Me2-X-SMe2-7,8-nido-C2B9H8]− (X = 9 and 10)","Organometallics","2017","36","4","791","","10.1021/acs.organomet.6b00858","","","0.71073","MoKα","","0.0254","0.0249","","","0.0635","0.0639","","","","","","1.099","","","","has coordinates","193607","2020-10-21","18:00:00",""
"4087044","16.63401","0.00006","17.02047","0.00006","18.94559","0.00007","90","","90","","90","","5363.85","0.03","150","2","150","0.1","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C64 H70 Cl P Ru S -","- C64 H70 Cl P Ru S -","- C256 H280 Cl4 P4 Ru4 S4 -","4","1","","Bähr, Susanne; Oestreich, Martin","Hidden Enantioselective Hydrogenation of N-Silyl Enamines and Silyl Enol Ethers in Net C═N and C═O Hydrosilylations Catalyzed by Ru‒S Complexes with One Monodentate Chiral Phosphine Ligand","Organometallics","2017","36","4","935","","10.1021/acs.organomet.7b00030","","x-ray","1.54184","CuKα","","0.0187","0.0183","","","0.0482","0.0485","","","","","","1.036","","","","has coordinates,has disorder","193611","2020-10-21","18:00:00",""
"4087056","8.8092","0.0007","22.8273","0.0019","15.6744","0.0013","90","","105.69","0.003","90","","3034.5","0.4","123","2","123","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","(((N-methyl)phenylimidoyl)diphenylphosphanyl) (pentamethyl- cyclopentadienyl) Rhodium(III) dichloride","","- C31 H35 Cl4 N P Rh -","- C31 H35 Cl4 N P Rh -","- C124 H140 Cl16 N4 P4 Rh4 -","4","1","","Rong, Mark K.; van Duin, Koen; van Dijk, Tom; de Pater, Jeroen J. M.; Deelman, Berth-Jan; Nieger, Martin; Ehlers, A. W.; Slootweg, J. Chris; Lammertsma, Koop","Iminophosphanes: Synthesis, Rhodium Complexes, and Ruthenium(II)-Catalyzed Hydration of Nitriles.","Organometallics","2017","36","5","1079","1090","10.1021/acs.organomet.7b00057","","","0.71073","MoKα","","0.0264","0.022","","","0.049","0.0508","","","","","","1.083","","","","has coordinates","194866","2020-10-21","18:00:00",""
"4087057","8.9362","0.0001","23.6047","0.0003","16.091","0.0002","90","","104.98","0.001","90","","3278.83","0.07","120","2","120","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","((N-methyl)phenylimidoyl)di(3-methylphenyl)phosphanyl)- (pentamethylcyclopentadienyl) Rhodium(III) dichloride","","- C33 H39 Cl4 N P Rh -","- C33 H39 Cl4 N P Rh -","- C132 H156 Cl16 N4 P4 Rh4 -","4","1","","Rong, Mark K.; van Duin, Koen; van Dijk, Tom; de Pater, Jeroen J. M.; Deelman, Berth-Jan; Nieger, Martin; Ehlers, A. W.; Slootweg, J. Chris; Lammertsma, Koop","Iminophosphanes: Synthesis, Rhodium Complexes, and Ruthenium(II)-Catalyzed Hydration of Nitriles.","Organometallics","2017","36","5","1079","1090","10.1021/acs.organomet.7b00057","","","1.54178","CuKα","","0.037","0.0337","","","0.0818","0.0839","","","","","","1.022","","","","has coordinates","194866","2020-10-21","18:00:00",""
"4087058","14.4195","0.0003","14.5992","0.0003","15.1828","0.0003","90","","90","","90","","3196.18","0.11","120","2","120","2","","","","","","","","9","P n a 21","P 2c -2n","33","","Chloro (((N-methyl)phenylimidoyl)diphenylphosphanyl)(pentamethyl- cyclopentadienyl) Rhodium(III) trifluoromethylsulfonate","","- C31 H33 Cl F3 N O3 P Rh S -","- C31 H33 Cl F3 N O3 P Rh S -","- C124 H132 Cl4 F12 N4 O12 P4 Rh4 S4 -","4","1","","Rong, Mark K.; van Duin, Koen; van Dijk, Tom; de Pater, Jeroen J. M.; Deelman, Berth-Jan; Nieger, Martin; Ehlers, A. W.; Slootweg, J. Chris; Lammertsma, Koop","Iminophosphanes: Synthesis, Rhodium Complexes, and Ruthenium(II)-Catalyzed Hydration of Nitriles.","Organometallics","2017","36","5","1079","1090","10.1021/acs.organomet.7b00057","","","0.71073","MoKα","","0.039","0.036","","","0.0939","0.0966","","","","","","1.029","","","","has coordinates,has disorder","194866","2020-10-21","18:00:00",""
"4087059","11.734","0.0002","41.0647","0.0006","9.959","0.0001","90","","91.496","0.001","90","","4797.14","0.12","120","2","120","2","","","","","","","","10","P 1 21/c 1","-P 2ybc","14","","(((N-methyl)phenylimidoyl)diphenylphospanyl)(pentamethylcyclopentadienyl) Rhodium(III) trifluorosulfonate tris(trifluorosulfonate) di-silver(I) dichloromethane solvate","","- C35 H35 Ag2 Cl2 F12 N O12 P Rh S4 -","- C35 H35 Ag2 Cl2 F12 N O12 P Rh S4 -","- C140 H140 Ag8 Cl8 F48 N4 O48 P4 Rh4 S16 -","4","1","","Rong, Mark K.; van Duin, Koen; van Dijk, Tom; de Pater, Jeroen J. M.; Deelman, Berth-Jan; Nieger, Martin; Ehlers, A. W.; Slootweg, J. Chris; Lammertsma, Koop","Iminophosphanes: Synthesis, Rhodium Complexes, and Ruthenium(II)-Catalyzed Hydration of Nitriles.","Organometallics","2017","36","5","1079","1090","10.1021/acs.organomet.7b00057","","","0.71073","MoKα","","0.0344","0.0302","","","0.064","0.0652","","","","","","1.171","","","","has coordinates,has disorder","194866","2020-10-21","18:00:00",""
"4087060","9.665","0.005","9.665","0.005","23.059","0.005","90","0.005","90","0.005","90","0.005","2154","1.6","291","2","291","2","","","","","","","","3","P 43 21 2","P 4nw 2abw","96","","","","- C31 H22 N2 -","- C31 H22 N2 -","- C124 H88 N8 -","4","0.5","","He, Congfa; Wang, Bin; Gao, Mingli; Gu, Zhenhua","Synthesis of Chiral Cleft C,N-Palladium and Iridium Complexes from 2,3:6,7-Dibenzobicyclo[3.3.1]nona-2,6-diene-4,8-dione and Their Synthetic Applications","Organometallics","2017","","","","","10.1021/acs.organomet.7b00024","","","1.54184","CuKα","","0.0352","0.0345","","","0.0949","0.0959","","","","","","1.1","","","","has coordinates","192256","2020-10-21","18:00:00",""
"4087061","8.6697","0.0001","9.9822","0.0001","27.1306","0.0004","90","","90","","90","","2347.95","0.05","291","2","291","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C31 H18 F6 N2 O -","- C31 H18 F6 N2 O -","- C124 H72 F24 N8 O4 -","4","1","","He, Congfa; Wang, Bin; Gao, Mingli; Gu, Zhenhua","Synthesis of Chiral Cleft C,N-Palladium and Iridium Complexes from 2,3:6,7-Dibenzobicyclo[3.3.1]nona-2,6-diene-4,8-dione and Their Synthetic Applications","Organometallics","2017","","","","","10.1021/acs.organomet.7b00024","","","1.54184","CuKα","","0.0663","0.0646","","","0.1801","0.1824","","","","","","1.061","","","","has coordinates,has disorder","192256","2020-10-21","18:00:00",""
"4087062","15.0428","0.0003","19.654","0.0004","15.1897","0.0003","90","","90","","90","","4490.85","0.16","291","2","291","2","","","","","","","","6","C 2 2 21","C 2c 2","20","","","","- C48 H36 Cl2 N2 O4 Pd2 -","- C48 H36 Cl2 N2 O4 Pd2 -","- C192 H144 Cl8 N8 O16 Pd8 -","4","0.5","","He, Congfa; Wang, Bin; Gao, Mingli; Gu, Zhenhua","Synthesis of Chiral Cleft C,N-Palladium and Iridium Complexes from 2,3:6,7-Dibenzobicyclo[3.3.1]nona-2,6-diene-4,8-dione and Their Synthetic Applications","Organometallics","2017","","","","","10.1021/acs.organomet.7b00024","","","1.54184","CuKα","","0.0426","0.0416","","","0.1106","0.1123","","","","","","1.056","","","","has coordinates","192256","2020-10-21","18:00:00",""
"4087063","20.0491","0.0004","17.2073","0.0004","8.4156","0.0002","90","","90","","90","","2903.31","0.11","291","2","291","2","","","","","","","","6","P 21 21 2","P 2 2ab","18","","","","- C68 H68 Cl2 Ir2 N2 O5 -","- C68 H68 Cl2 Ir2 N2 O5 -","- C136 H136 Cl4 Ir4 N4 O10 -","2","0.5","","He, Congfa; Wang, Bin; Gao, Mingli; Gu, Zhenhua","Synthesis of Chiral Cleft C,N-Palladium and Iridium Complexes from 2,3:6,7-Dibenzobicyclo[3.3.1]nona-2,6-diene-4,8-dione and Their Synthetic Applications","Organometallics","2017","","","","","10.1021/acs.organomet.7b00024","","","0.71073","MoKα","","0.0323","0.0276","","","0.0543","0.0559","","","","","","1.003","","","","has coordinates","192256","2020-10-21","18:00:00",""
"4087064","8.2116","0.0001","12.233","0.0002","48.3221","0.0006","90","","94.308","0.001","90","","4840.36","0.12","153","2","153","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C25 H32 Cl Ge N3 O0.5 -","- C25 H32 Cl Ge N3 O0.5 -","- C200 H256 Cl8 Ge8 N24 O4 -","8","2","","Paul, Daniel; Heins, Frederik; Krupski, Sergei; Hepp, Alexander; Daniliuc, Constantin G.; Klahr, Kevin; Neugebauer, Johannes; Glorius, Frank; Hahn, F. Ekkehardt","Synthesis and Reactivity of Intramolecularly NHC-Stabilized Germylenes and Stannylenes","Organometallics","2017","","","","","10.1021/acs.organomet.6b00925","","","0.71073","MoKα","","0.0616","0.0481","","","0.1134","0.1193","","","","","","1.087","","","","has coordinates","254431","2020-10-21","18:00:00",""
"4087065","8.274","0.0004","12.232","0.0006","49.393","0.002","90","","94.804","0.001","90","","4981.4","0.4","153","2","153","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C50 H64 Cl2 N6 O Sn2 -","- C50 H56 Cl2 N6 O Sn2 -","- C200 H224 Cl8 N24 O4 Sn8 -","4","1","","Paul, Daniel; Heins, Frederik; Krupski, Sergei; Hepp, Alexander; Daniliuc, Constantin G.; Klahr, Kevin; Neugebauer, Johannes; Glorius, Frank; Hahn, F. Ekkehardt","Synthesis and Reactivity of Intramolecularly NHC-Stabilized Germylenes and Stannylenes","Organometallics","2017","","","","","10.1021/acs.organomet.6b00925","","","0.71073","MoKα","","0.0771","0.0485","","","0.1022","0.1113","","","","","","1.105","","","","has coordinates,has disorder","192426","2020-10-21","18:00:00",""
"4087066","13.0226","0.0004","15.0573","0.0005","14.4071","0.0005","90","","96.067","0.001","90","","2809.2","0.16","100","2","100","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C30 H40 Ge N3 O -","- C30 H40 Ge N3 O -","- C120 H160 Ge4 N12 O4 -","4","1","","Paul, Daniel; Heins, Frederik; Krupski, Sergei; Hepp, Alexander; Daniliuc, Constantin G.; Klahr, Kevin; Neugebauer, Johannes; Glorius, Frank; Hahn, F. Ekkehardt","Synthesis and Reactivity of Intramolecularly NHC-Stabilized Germylenes and Stannylenes","Organometallics","2017","","","","","10.1021/acs.organomet.6b00925","","","0.71073","MoKα","","0.0311","0.0247","","","0.0563","0.0592","","","","","","1.04","","","","has coordinates","192426","2020-10-21","18:00:00",""
"4087067","11.1891","0.0008","15.6168","0.0011","14.386","0.001","90","","109.252","0.002","90","","2373.2","0.3","120","2","120","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C22 H24 Cl3 F4 Ir N2 -","- C22 H24 Cl3 F4 Ir N2 -","- C88 H96 Cl12 F16 Ir4 N8 -","4","1","","Thomas, Hayden P.; Wang, Yue-Ming; Lorenzini, Fabio; Coles, Simon J.; Horton, Peter N.; Marr, Andrew C.; Saunders, Graham C.","Cyclometalation via Carbon‒Fluorine Bond Activation Induced by Silver Particles","Organometallics","2017","","","","","10.1021/acs.organomet.6b00872","","","0.71075","MoKα","K-L~2,3~","0.0773","0.0503","","","0.1001","0.1059","","","","","","0.857","","","","has coordinates,has disorder","192664","2020-10-21","18:00:00",""
"4087068","8.0115","0.0016","15.292","0.003","17.322","0.004","90","","102.42","0.03","90","","2072.5","0.8","113","2","113","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C24 H17 N O5 Ru2 -","- C24 H17 N O5 Ru2 -","- C96 H68 N4 O20 Ru8 -","4","1","","Gong, Dawei; Hu, Bowen; Shi, Jing; Ma, Peipei; Wang, Baiquan; Chen, Dafa","Synthesis of Diruthenium Complexes Derived from Pyridyl-Substituted Indenes","Organometallics","2017","","","","","10.1021/acs.organomet.7b00021","","","0.71073","MoKα","","0.0446","0.0321","","","0.0671","0.0727","","","","","","1.018","","","","has coordinates","192665","2020-10-21","18:00:00",""
"4087069","13.9658","0.0003","9.8578","0.0002","17.6649","0.0003","90","","106.671","0.002","90","","2329.74","0.08","293","2","293","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C24 H19 N O4 Ru2 S -","- C24 H19 N O4 Ru2 S -","- C96 H76 N4 O16 Ru8 S4 -","4","1","","Gong, Dawei; Hu, Bowen; Shi, Jing; Ma, Peipei; Wang, Baiquan; Chen, Dafa","Synthesis of Diruthenium Complexes Derived from Pyridyl-Substituted Indenes","Organometallics","2017","","","","","10.1021/acs.organomet.7b00021","","","0.71073","MoKα","","0.0347","0.0263","","","0.0554","0.0603","","","","","","1.103","","","","has coordinates","192665","2020-10-21","18:00:00",""
"4087070","8.587","0.0004","10.6283","0.0005","13.9652","0.0007","109.174","0.004","101.89","0.004","91.156","0.004","1172.67","0.1","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C25 H19 N O5 Ru2 -","- C25 H19 N O5 Ru2 -","- C50 H38 N2 O10 Ru4 -","2","1","","Gong, Dawei; Hu, Bowen; Shi, Jing; Ma, Peipei; Wang, Baiquan; Chen, Dafa","Synthesis of Diruthenium Complexes Derived from Pyridyl-Substituted Indenes","Organometallics","2017","","","","","10.1021/acs.organomet.7b00021","","","0.71073","MoKα","","0.0431","0.0307","","","0.0625","0.0702","","","","","","1.039","","","","has coordinates","192665","2020-10-21","18:00:00",""
"4087071","15.946","0.003","16.474","0.003","15.387","0.003","90","","90","","90","","4042.1","1.3","296","2","296","2","","","","","","","","5","P b c n","-P 2n 2ab","60","","","","- C21 H13 N O5 Ru2 -","- C21 H13 N O5 Ru2 -","- C168 H104 N8 O40 Ru16 -","8","1","","Gong, Dawei; Hu, Bowen; Shi, Jing; Ma, Peipei; Wang, Baiquan; Chen, Dafa","Synthesis of Diruthenium Complexes Derived from Pyridyl-Substituted Indenes","Organometallics","2017","","","","","10.1021/acs.organomet.7b00021","","","0.71073","MoKα","","0.033","0.0282","","","0.0694","0.073","","","","","","1.088","","","","has coordinates","192665","2020-10-21","18:00:00",""
"4087072","11.6212","0.0004","13.6394","0.0005","20.6096","0.0007","90","","98.398","0.001","90","","3231.7","0.2","100","2","100","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C28 H36 F6 N4 O6 S2 -","- C28 H36 F6 N4 O6 S2 -","- C112 H144 F24 N16 O24 S8 -","4","1","","Ruamps, Mirko; Lugan, Noël; César, Vincent","A Cationic N-Heterocyclic Carbene Containing an Ammonium Moiety","Organometallics","2017","36","5","1049","","10.1021/acs.organomet.7b00017","","x-ray","0.71073","MoKα","","0.0376","0.036","","","0.0993","0.1011","","","","","","1.007","","","","has coordinates","194864","2020-10-21","18:00:00",""
"4087073","14.0247","0.0005","16.3921","0.0008","18.344","0.0009","93.329","0.002","97.609","0.001","113.877","0.001","3793.2","0.3","100","2","100","2","","","","","","","","8","P -1","-P 1","2","","","","- C33 H44 Cl F3 N3 O3 Rh S -","- C33 H44 Cl F3 N3 O3 Rh S -","- C132 H176 Cl4 F12 N12 O12 Rh4 S4 -","4","2","","Ruamps, Mirko; Lugan, Noël; César, Vincent","A Cationic N-Heterocyclic Carbene Containing an Ammonium Moiety","Organometallics","2017","36","5","1049","","10.1021/acs.organomet.7b00017","","x-ray","0.71073","MoKα","","0.0508","0.0434","","","0.0996","0.1037","","","","","","1.128","","","","has coordinates","194864","2020-10-21","18:00:00",""
"4087074","8.5328","0.0006","38.791","0.003","20.4057","0.0014","90","","97.938","0.002","90","","6689.5","0.8","100","2","100","2","","","","","","","","8","P 1 21/c 1","-P 2ybc","14","","","","- C29 H38 Cl2 F3 N5 O3 Pd S -","- C29 H38 Cl2 F3 N5 O3 Pd S -","- C232 H304 Cl16 F24 N40 O24 Pd8 S8 -","8","2","","Ruamps, Mirko; Lugan, Noël; César, Vincent","A Cationic N-Heterocyclic Carbene Containing an Ammonium Moiety","Organometallics","2017","36","5","1049","","10.1021/acs.organomet.7b00017","","x-ray","0.71073","MoKα","","0.0541","0.0365","","","0.0825","0.0919","","","","","","1.404","","","","has coordinates","194864","2020-10-21","18:00:00",""
"4087075","16.9155","0.0002","20.1515","0.0002","37.476","0.0004","90","","93.699","0.001","90","","12747.9","0.2","100","2","100","2","","","","","","","","7","C 1 2/c 1","-C 2yc","15","","","","- C55 H70 Ag F9 N8 O9 S3 -","- C55 H70 Ag F9 N8 O9 S3 -","- C440 H560 Ag8 F72 N64 O72 S24 -","8","1","","Ruamps, Mirko; Lugan, Noël; César, Vincent","A Cationic N-Heterocyclic Carbene Containing an Ammonium Moiety","Organometallics","2017","36","5","1049","","10.1021/acs.organomet.7b00017","","x-ray","0.71073","MoKα","","0.0498","0.049","","","0.1149","0.1153","","","","","","1.16","","","","has coordinates","194864","2020-10-21","18:00:00",""
"4087076","17.1204","0.0003","10.6306","0.0002","30.004","0.0006","90","","90","","90","","5460.73","0.18","133","2","133","2","","","","","","","","3","P c a 21","P 2c -2ac","29","","","","- C32.5 H33 N5 -","- C32.5 H33 N5 -","- C260 H264 N40 -","8","2","","Koch, Alexander; Krieck, Sven; Görls, Helmar; Westerhausen, Matthias","Alkaline Earth Metal‒Carbene Complexes with the Versatile Tridentate 2,6-Bis(3-mesitylimidazol-2-ylidene)pyridine Ligand","Organometallics","2017","36","5","994","","10.1021/acs.organomet.6b00914","","","0.71073","MoKα","","0.0618","0.0508","","","0.1046","0.1106","","","","","","1.105","","","","has coordinates","194865","2020-10-21","18:00:00",""
"4087077","20.3225","0.0006","15.7849","0.0005","24.0166","0.0007","90","","110.368","0.001","90","","7222.6","0.4","133","2","133","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C76 H94 Ca I2 N10 O4.5 -","- C76 H94 Ca I2 N10 O4.5 -","- C304 H376 Ca4 I8 N40 O18 -","4","1","","Koch, Alexander; Krieck, Sven; Görls, Helmar; Westerhausen, Matthias","Alkaline Earth Metal‒Carbene Complexes with the Versatile Tridentate 2,6-Bis(3-mesitylimidazol-2-ylidene)pyridine Ligand","Organometallics","2017","36","5","994","","10.1021/acs.organomet.6b00914","","","0.71073","MoKα","","0.0671","0.052","","","0.1086","0.1162","","","","","","1.143","","","","has coordinates","194865","2020-10-21","18:00:00",""
"4087078","10.9346","0.0002","15.5692","0.0003","20.4237","0.0004","90","","101.671","0.001","90","","3405.11","0.11","133","2","133","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C33 H37 Ca I2 N5 O -","- C33 H37 Ca I2 N5 O -","- C132 H148 Ca4 I8 N20 O4 -","4","1","","Koch, Alexander; Krieck, Sven; Görls, Helmar; Westerhausen, Matthias","Alkaline Earth Metal‒Carbene Complexes with the Versatile Tridentate 2,6-Bis(3-mesitylimidazol-2-ylidene)pyridine Ligand","Organometallics","2017","36","5","994","","10.1021/acs.organomet.6b00914","","","0.71073","MoKα","","0.0473","0.0359","","","0.0719","0.0759","","","","","","1.153","","","","has coordinates","194865","2020-10-21","18:00:00",""
"4087079","17.0402","0.0003","17.9185","0.0003","23.3967","0.0005","90","","105.668","0.001","90","","6878.4","0.2","133","2","133","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C33 H37 Ca I2 N5 O -","- C33 H37 Ca I2 N5 O -","- C264 H296 Ca8 I16 N40 O8 -","8","2","","Koch, Alexander; Krieck, Sven; Görls, Helmar; Westerhausen, Matthias","Alkaline Earth Metal‒Carbene Complexes with the Versatile Tridentate 2,6-Bis(3-mesitylimidazol-2-ylidene)pyridine Ligand","Organometallics","2017","36","5","994","","10.1021/acs.organomet.6b00914","","","0.71073","MoKα","","0.0815","0.0701","","","0.1561","0.1624","","","","","","1.188","","","","has coordinates","194865","2020-10-21","18:00:00",""
"4087080","16.3156","0.0002","15.5855","0.0002","25.9692","0.0004","90","","105.676","0.001","90","","6358","0.15","133","2","133","2","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C69 H81 Al Ca I N5 O4 -","- C69 H81 Al Ca I N5 O4 -","- C276 H324 Al4 Ca4 I4 N20 O16 -","4","1","","Koch, Alexander; Krieck, Sven; Görls, Helmar; Westerhausen, Matthias","Alkaline Earth Metal‒Carbene Complexes with the Versatile Tridentate 2,6-Bis(3-mesitylimidazol-2-ylidene)pyridine Ligand","Organometallics","2017","36","5","994","","10.1021/acs.organomet.6b00914","","","0.71073","MoKα","","0.0563","0.0444","","","0.084","0.0889","","","","","","1.12","","","","has coordinates,has disorder","194865","2020-10-21","18:00:00",""
"4087081","13.7801","0.0004","9.4247","0.0003","33.0995","0.0009","90","","101.391","0.001","90","","4214.1","0.2","133","2","133","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C41 H53 I2 N5 O3 Sr -","- C41 H53 I2 N5 O3 Sr -","- C164 H212 I8 N20 O12 Sr4 -","4","1","","Koch, Alexander; Krieck, Sven; Görls, Helmar; Westerhausen, Matthias","Alkaline Earth Metal‒Carbene Complexes with the Versatile Tridentate 2,6-Bis(3-mesitylimidazol-2-ylidene)pyridine Ligand","Organometallics","2017","36","5","994","","10.1021/acs.organomet.6b00914","","","0.71073","MoKα","","0.0383","0.0319","","","0.0685","0.0714","","","","","","1.111","","","","has coordinates","194865","2020-10-21","18:00:00",""
"4087082","13.785","0.0002","9.523","0.0002","33.311","0.0005","90","","101.374","0.001","90","","4287.01","0.13","133","2","133","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C41 H53 Ba I2 N5 O3 -","- C41 H53 Ba I2 N5 O3 -","- C164 H212 Ba4 I8 N20 O12 -","4","1","","Koch, Alexander; Krieck, Sven; Görls, Helmar; Westerhausen, Matthias","Alkaline Earth Metal‒Carbene Complexes with the Versatile Tridentate 2,6-Bis(3-mesitylimidazol-2-ylidene)pyridine Ligand","Organometallics","2017","36","5","994","","10.1021/acs.organomet.6b00914","","","0.71073","MoKα","","0.0447","0.0389","","","0.104","0.1089","","","","","","1.085","","","","has coordinates","194865","2020-10-21","18:00:00",""
"4087083","9.3127","0.0003","17.8101","0.0007","18.574","0.0006","90","","90","","90","","3080.69","0.19","100","2","100","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C30 H34 Co2 N2 O4 P2 -","- C30 H34 Co2 N2 O4 P2 -","- C120 H136 Co8 N8 O16 P8 -","4","1","","Garçon, Martí; Cabré, Albert; Verdaguer, Xavier; Riera, Antoni","Synthesis, Coordination Study, and Catalytic Pauson‒Khand Reactions of QuinoxP*(CO)4-μ-Alkyne Dicobalt Complexes","Organometallics","2017","","","","","10.1021/acs.organomet.7b00018","","","0.71073","MoKα","","0.045","0.035","","","0.0652","0.0688","","","","","","1.021","","","","has coordinates","192808","2020-10-21","18:00:00",""
"4087084","8.5383","0.0002","12.31","0.0003","13.804","0.0004","100.745","0.001","101.927","0.001","93.806","0.001","1386.35","0.06","173","2","173","2","","","","","","","","8","P -1","-P 1","2","1 [Cp(star)IrCl(NHC(Me)-py(OtBu))]OTf","","","- C24 H32 Cl F3 Ir N3 O4 S -","- C24 H32 Cl F3 Ir N3 O4 S -","- C48 H64 Cl2 F6 Ir2 N6 O8 S2 -","2","1","","Siek, Sopheavy; Burks, Dalton B.; Gerlach, Deidra L.; Liang, Guangchao; Tesh, Jamie M.; Thompson, Courtney R.; Qu, Fengrui; Shankwitz, Jennifer E.; Vasquez, Robert M.; Chambers, Nicole; Szulczewski, Gregory J.; Grotjahn, Douglas B.; Webster, Charles Edwin; Papish, Elizabeth T.","Iridium and Ruthenium Complexes of N-Heterocyclic Carbene- and Pyridinol-Derived Chelates as Catalysts for Aqueous Carbon Dioxide Hydrogenation and Formic Acid Dehydrogenation: The Role of the Alkali Metal","Organometallics","2017","36","6","1091","","10.1021/acs.organomet.6b00806","","","0.71073","MoKα","","0.0224","0.0191","","","0.0431","0.044","","","","","","1.038","","","","has coordinates","194870","2020-10-21","18:00:00",""
"4087085","7.1356","0.0002","15.6052","0.0004","21.4625","0.0005","90","","93.488","0.001","90","","2385.48","0.11","173","2","173","2","","","","","","","","8","P 1 21/c 1","-P 2ybc","14","2 [Cp(star)IrCl(NHC(Me)-py(OH))]OTf","","","- C20 H24 Cl F3 Ir N3 O4 S -","- C20 H24 Cl F3 Ir N3 O4 S -","- C80 H96 Cl4 F12 Ir4 N12 O16 S4 -","4","1","","Siek, Sopheavy; Burks, Dalton B.; Gerlach, Deidra L.; Liang, Guangchao; Tesh, Jamie M.; Thompson, Courtney R.; Qu, Fengrui; Shankwitz, Jennifer E.; Vasquez, Robert M.; Chambers, Nicole; Szulczewski, Gregory J.; Grotjahn, Douglas B.; Webster, Charles Edwin; Papish, Elizabeth T.","Iridium and Ruthenium Complexes of N-Heterocyclic Carbene- and Pyridinol-Derived Chelates as Catalysts for Aqueous Carbon Dioxide Hydrogenation and Formic Acid Dehydrogenation: The Role of the Alkali Metal","Organometallics","2017","36","6","1091","","10.1021/acs.organomet.6b00806","","","0.71073","MoKα","","0.0368","0.0305","","","0.0573","0.0587","","","","","","1.24","","","","has coordinates","194870","2020-10-21","18:00:00",""
"4087086","7.3609","0.0003","15.3328","0.0006","22.355","0.0009","90","","97.709","0.002","90","","2500.25","0.17","173","2","173","2","","","","","","","","8","P 1 21/c 1","-P 2ybc","14","3 [Cp(star)IrCl(NHC(Me)-py(OMe))]OTf","","","- C21 H26 Cl F3 Ir N3 O4 S -","- C21 H26 Cl F3 Ir N3 O4 S -","- C84 H104 Cl4 F12 Ir4 N12 O16 S4 -","4","1","","Siek, Sopheavy; Burks, Dalton B.; Gerlach, Deidra L.; Liang, Guangchao; Tesh, Jamie M.; Thompson, Courtney R.; Qu, Fengrui; Shankwitz, Jennifer E.; Vasquez, Robert M.; Chambers, Nicole; Szulczewski, Gregory J.; Grotjahn, Douglas B.; Webster, Charles Edwin; Papish, Elizabeth T.","Iridium and Ruthenium Complexes of N-Heterocyclic Carbene- and Pyridinol-Derived Chelates as Catalysts for Aqueous Carbon Dioxide Hydrogenation and Formic Acid Dehydrogenation: The Role of the Alkali Metal","Organometallics","2017","36","6","1091","","10.1021/acs.organomet.6b00806","","","0.71073","MoKα","","0.0564","0.0464","","","0.087","0.0894","","","","","","1.28","","","","has coordinates,has disorder","194870","2020-10-21","18:00:00",""
"4087087","7.9111","0.0005","8.4077","0.0004","17.5316","0.001","94.062","0.003","93.152","0.003","95.603","0.003","1155.36","0.11","223","2","223","2","","","","","","","","6","P -1","-P 1","2","3sp [Cp(star)IrCl(C11H11N3O)]Cl","","","- C21 H30 Cl2 Ir N3 O3 -","- C21 H26 Cl2 Ir N3 O3 -","- C42 H52 Cl4 Ir2 N6 O6 -","2","1","","Siek, Sopheavy; Burks, Dalton B.; Gerlach, Deidra L.; Liang, Guangchao; Tesh, Jamie M.; Thompson, Courtney R.; Qu, Fengrui; Shankwitz, Jennifer E.; Vasquez, Robert M.; Chambers, Nicole; Szulczewski, Gregory J.; Grotjahn, Douglas B.; Webster, Charles Edwin; Papish, Elizabeth T.","Iridium and Ruthenium Complexes of N-Heterocyclic Carbene- and Pyridinol-Derived Chelates as Catalysts for Aqueous Carbon Dioxide Hydrogenation and Formic Acid Dehydrogenation: The Role of the Alkali Metal","Organometallics","2017","36","6","1091","","10.1021/acs.organomet.6b00806","","","0.71073","MoKα","","0.0503","0.0476","","","0.1108","0.1117","","","","","","1.316","","","","has coordinates","194870","2020-10-21","18:00:00",""
"4087088","7.3686","0.0003","15.6037","0.0006","23.0349","0.0008","90","","98.661","0.002","90","","2618.29","0.17","173","2","173","2","","","","","","","","8","P 1 21/c 1","-P 2ybc","14","5Ir [Cp(star)IrCl(66dmbp)]OTf","","","- C23 H27 Cl F3 Ir N2 O5 S -","- C23 H27 Cl F3 Ir N2 O5 S -","- C92 H108 Cl4 F12 Ir4 N8 O20 S4 -","4","1","","Siek, Sopheavy; Burks, Dalton B.; Gerlach, Deidra L.; Liang, Guangchao; Tesh, Jamie M.; Thompson, Courtney R.; Qu, Fengrui; Shankwitz, Jennifer E.; Vasquez, Robert M.; Chambers, Nicole; Szulczewski, Gregory J.; Grotjahn, Douglas B.; Webster, Charles Edwin; Papish, Elizabeth T.","Iridium and Ruthenium Complexes of N-Heterocyclic Carbene- and Pyridinol-Derived Chelates as Catalysts for Aqueous Carbon Dioxide Hydrogenation and Formic Acid Dehydrogenation: The Role of the Alkali Metal","Organometallics","2017","36","6","1091","","10.1021/acs.organomet.6b00806","","","0.71073","MoKα","","0.0284","0.0226","","","0.0486","0.0501","","","","","","1.027","","","","has coordinates","194870","2020-10-21","18:00:00",""
"4087089","14.182","0.0003","14.0104","0.0003","14.2635","0.0003","90","","109.272","0.001","90","","2675.28","0.1","173","2","173","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","5Ru [(p-cym)RuCl(6,6'-dmbp)]Cl","","","- C23.77 H34 Cl2 N2 O4.23 Ru -","- C23.773 H34 Cl2 N2 O4.227 Ru -","- C95.092 H136 Cl8 N8 O16.908 Ru4 -","4","1","","Siek, Sopheavy; Burks, Dalton B.; Gerlach, Deidra L.; Liang, Guangchao; Tesh, Jamie M.; Thompson, Courtney R.; Qu, Fengrui; Shankwitz, Jennifer E.; Vasquez, Robert M.; Chambers, Nicole; Szulczewski, Gregory J.; Grotjahn, Douglas B.; Webster, Charles Edwin; Papish, Elizabeth T.","Iridium and Ruthenium Complexes of N-Heterocyclic Carbene- and Pyridinol-Derived Chelates as Catalysts for Aqueous Carbon Dioxide Hydrogenation and Formic Acid Dehydrogenation: The Role of the Alkali Metal","Organometallics","2017","36","6","1091","","10.1021/acs.organomet.6b00806","","","0.71073","MoKα","","0.0469","0.0349","","","0.0688","0.0727","","","","","","1.073","","","","has coordinates,has disorder","194870","2020-10-21","18:00:00",""
"4087090","11.8359","0.0003","11.9882","0.0003","12.8751","0.0004","70.365","0.001","81.733","0.001","63.219","0.001","1536.01","0.07","173","2","173","2","","","","","","","","7","P -1","-P 1","2","6 [Ag(NHC(Me)-py(OtBu))2]OTf","","","- C27 H34 Ag F3 N6 O5 S -","- C27 H34 Ag F3 N6 O5 S -","- C54 H68 Ag2 F6 N12 O10 S2 -","2","1","","Siek, Sopheavy; Burks, Dalton B.; Gerlach, Deidra L.; Liang, Guangchao; Tesh, Jamie M.; Thompson, Courtney R.; Qu, Fengrui; Shankwitz, Jennifer E.; Vasquez, Robert M.; Chambers, Nicole; Szulczewski, Gregory J.; Grotjahn, Douglas B.; Webster, Charles Edwin; Papish, Elizabeth T.","Iridium and Ruthenium Complexes of N-Heterocyclic Carbene- and Pyridinol-Derived Chelates as Catalysts for Aqueous Carbon Dioxide Hydrogenation and Formic Acid Dehydrogenation: The Role of the Alkali Metal","Organometallics","2017","36","6","1091","","10.1021/acs.organomet.6b00806","","","0.71073","MoKα","","0.0347","0.0275","","","0.0671","0.0705","","","","","","1.025","","","","has coordinates","194870","2020-10-21","18:00:00",""
"4087091","7.2377","0.0002","12.3949","0.0004","14.7323","0.0005","72.946","0.001","77.672","0.001","77.664","0.001","1218.15","0.07","173","2","173","2","","","","","","","","7","P -1","-P 1","2","7 [Ag(NHC(Me)-py(OMe))2]OTf","","","- C21 H22 Ag F3 N6 O5 S -","- C21 H22 Ag F3 N6 O5 S -","- C42 H44 Ag2 F6 N12 O10 S2 -","2","1","","Siek, Sopheavy; Burks, Dalton B.; Gerlach, Deidra L.; Liang, Guangchao; Tesh, Jamie M.; Thompson, Courtney R.; Qu, Fengrui; Shankwitz, Jennifer E.; Vasquez, Robert M.; Chambers, Nicole; Szulczewski, Gregory J.; Grotjahn, Douglas B.; Webster, Charles Edwin; Papish, Elizabeth T.","Iridium and Ruthenium Complexes of N-Heterocyclic Carbene- and Pyridinol-Derived Chelates as Catalysts for Aqueous Carbon Dioxide Hydrogenation and Formic Acid Dehydrogenation: The Role of the Alkali Metal","Organometallics","2017","36","6","1091","","10.1021/acs.organomet.6b00806","","","0.71073","MoKα","","0.0232","0.0216","","","0.0623","0.0636","","","","","","1.108","","","","has coordinates","194870","2020-10-21","18:00:00",""
"4087092","8.6572","0.0002","18.3541","0.0004","23.1244","0.0005","90","","90","","90","","3674.35","0.14","153","2","153","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C47 H45 N Ti -","- C47 H45 N Ti -","- C188 H180 N4 Ti4 -","4","1","","Manßen, Manfred; Lauterbach, Nicolai; Woriescheck, Tim; Schmidtmann, Marc; Beckhaus, Rüdiger","Reactions of Secondary Amines with Bis(η5:η1-pentafulvene)titanium Complexes: Formation of Titanium Amides and Titanaaziridines","Organometallics","2017","36","4","867","","10.1021/acs.organomet.6b00915","","","0.71073","MoKα","","0.1057","0.0465","","","0.081","0.098","","","","","","1.001","","","","has coordinates","193330","2020-10-21","18:00:00",""
"4087093","12.96","0.003","17.433","0.004","16.575","0.004","90","","91.599","0.014","90","","3743.4","1.5","296","2","296","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C48 H47 N Ti -","- C48 H47 N Ti -","- C192 H188 N4 Ti4 -","4","1","","Manßen, Manfred; Lauterbach, Nicolai; Woriescheck, Tim; Schmidtmann, Marc; Beckhaus, Rüdiger","Reactions of Secondary Amines with Bis(η5:η1-pentafulvene)titanium Complexes: Formation of Titanium Amides and Titanaaziridines","Organometallics","2017","36","4","867","","10.1021/acs.organomet.6b00915","","","0.71073","MoKα","","0.1022","0.0447","","","0.1047","0.135","","","","","","1.003","","","","has coordinates","193330","2020-10-21","18:00:00",""
"4087094","13.342","0.0004","17.3146","0.0005","16.3202","0.0005","90","","90.3","0.001","90","","3770.1","0.19","120","2","120","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C49 H49 N Ti -","- C49 H49 N Ti -","- C196 H196 N4 Ti4 -","4","1","","Manßen, Manfred; Lauterbach, Nicolai; Woriescheck, Tim; Schmidtmann, Marc; Beckhaus, Rüdiger","Reactions of Secondary Amines with Bis(η5:η1-pentafulvene)titanium Complexes: Formation of Titanium Amides and Titanaaziridines","Organometallics","2017","36","4","867","","10.1021/acs.organomet.6b00915","","","0.71073","MoKα","","0.0611","0.0415","","","0.1111","0.1244","","","","","","1.053","","","","has coordinates","193330","2020-10-21","18:00:00",""
"4087095","10.9353","0.0005","15.3142","0.0007","20.2543","0.0008","90","","101.848","0.0013","90","","3319.6","0.3","120","2","120","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C43 H49 N Ti -","- C43 H49 N Ti -","- C172 H196 N4 Ti4 -","4","1","","Manßen, Manfred; Lauterbach, Nicolai; Woriescheck, Tim; Schmidtmann, Marc; Beckhaus, Rüdiger","Reactions of Secondary Amines with Bis(η5:η1-pentafulvene)titanium Complexes: Formation of Titanium Amides and Titanaaziridines","Organometallics","2017","36","4","867","","10.1021/acs.organomet.6b00915","","","0.71073","MoKα","","0.0674","0.0451","","","0.1042","0.1153","","","","","","1.033","","","","has coordinates","193330","2020-10-21","18:00:00",""
"4087096","17.3357","0.0008","9.7814","0.0004","22.3677","0.001","90","","101.158","0.0014","90","","3721.1","0.3","120","2","120","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C49 H59 N Ti -","- C49 H59 N Ti -","- C196 H236 N4 Ti4 -","4","1","","Manßen, Manfred; Lauterbach, Nicolai; Woriescheck, Tim; Schmidtmann, Marc; Beckhaus, Rüdiger","Reactions of Secondary Amines with Bis(η5:η1-pentafulvene)titanium Complexes: Formation of Titanium Amides and Titanaaziridines","Organometallics","2017","36","4","867","","10.1021/acs.organomet.6b00915","","","0.71073","MoKα","","0.0723","0.0435","","","0.0918","0.1033","","","","","","1.042","","","","has coordinates,has disorder","193330","2020-10-21","18:00:00",""
"4087097","12.7939","0.0007","16.5637","0.0009","13.3367","0.0007","90","","102.783","0.0016","90","","2756.2","0.3","120","2","120","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C76 H86 Ti2 -","- C76 H86 Ti2 -","- C152 H172 Ti4 -","2","0.5","","Manßen, Manfred; Lauterbach, Nicolai; Woriescheck, Tim; Schmidtmann, Marc; Beckhaus, Rüdiger","Reactions of Secondary Amines with Bis(η5:η1-pentafulvene)titanium Complexes: Formation of Titanium Amides and Titanaaziridines","Organometallics","2017","36","4","867","","10.1021/acs.organomet.6b00915","","","0.71073","MoKα","","0.0513","0.0378","","","0.0937","0.1013","","","","","","1.082","","","","has coordinates,has disorder","193330","2020-10-21","18:00:00",""
"4087098","11.8512","0.001","20.3693","0.0018","12.3394","0.0011","90","","101.05","0.0018","90","","2923.5","0.4","100","2","100","2","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C66 H103 N O2 Si Ti -","- C66 H103 N O2 Si Ti -","- C132 H206 N2 O4 Si2 Ti2 -","2","1","","Manßen, Manfred; Lauterbach, Nicolai; Woriescheck, Tim; Schmidtmann, Marc; Beckhaus, Rüdiger","Reactions of Secondary Amines with Bis(η5:η1-pentafulvene)titanium Complexes: Formation of Titanium Amides and Titanaaziridines","Organometallics","2017","36","4","867","","10.1021/acs.organomet.6b00915","","","0.71073","MoKα","","0.0395","0.0347","","","0.0875","0.0899","","","","","","1.084","","","","has coordinates","193330","2020-10-21","18:00:00",""
"4087099","10.9266","0.0013","14.4884","0.0018","22.065","0.003","72.626","0.002","78.681","0.002","85.724","0.002","3268.4","0.7","293","2","293.15","","","","","","","","","6","P -1","-P 1","2","PdBr(m-Xyl)(CNArDipp2)2","","","- C72 H88 Br N2 O0.5 Pd -","- C70 H83 Br N2 Pd -","- C140 H166 Br2 N4 Pd2 -","2","1","","Barnett, Brandon R.; Labios, Liezel A.; Stauber, Julia M.; Moore, Curtis E.; Rheingold, Arnold L.; Figueroa, Joshua S.","Synthetic and Mechanistic Interrogation of Pd/Isocyanide-Catalyzed Cross-Coupling: π-Acidic Ligands Enable Self-Aggregating Monoligated Pd(0) Intermediates","Organometallics","2017","36","4","944","","10.1021/acs.organomet.7b00035","","","0.71073","MoKα","","0.0627","0.0423","","","0.1082","0.1466","","","","","","1.027","","","","has coordinates","193331","2020-10-21","18:00:00",""
"4087100","22.184","0.006","18.952","0.005","16.253","0.005","90","","105.03","0.003","90","","6600","3","100","2","100","","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","PdCl(allyl)(CNArDipp2)","","","- C36 H46 Cl N O0.5 Pd -","- C36 H46 Cl N O0.5 Pd -","- C288 H368 Cl8 N8 O4 Pd8 -","8","2","","Barnett, Brandon R.; Labios, Liezel A.; Stauber, Julia M.; Moore, Curtis E.; Rheingold, Arnold L.; Figueroa, Joshua S.","Synthetic and Mechanistic Interrogation of Pd/Isocyanide-Catalyzed Cross-Coupling: π-Acidic Ligands Enable Self-Aggregating Monoligated Pd(0) Intermediates","Organometallics","2017","36","4","944","","10.1021/acs.organomet.7b00035","","","0.71073","MoKα","","0.0553","0.0378","","","0.0834","0.0972","","","","","","1.046","","","","has coordinates,has disorder","193331","2020-10-21","18:00:00",""
"4087101","19.5686","0.0013","16.9767","0.0011","19.6154","0.0013","90","","92.885","0.001","90","","6508.2","0.7","100","","100","","","","","","","","","4","P 1 21/n 1","-P 2yn","14","[(CNArDipp2)Pd]2(u-allyl)(u-LDA)","","","- C71 H93 N3 Pd2 -","- C71 H93 N3 Pd2 -","- C284 H372 N12 Pd8 -","4","1","","Barnett, Brandon R.; Labios, Liezel A.; Stauber, Julia M.; Moore, Curtis E.; Rheingold, Arnold L.; Figueroa, Joshua S.","Synthetic and Mechanistic Interrogation of Pd/Isocyanide-Catalyzed Cross-Coupling: π-Acidic Ligands Enable Self-Aggregating Monoligated Pd(0) Intermediates","Organometallics","2017","36","4","944","","10.1021/acs.organomet.7b00035","","","0.71073","MoKα","","0.0872","0.0469","","","0.0873","0.1022","","","","","","1.013","","","","has coordinates,has disorder","193331","2020-10-21","18:00:00",""
"4087102","8.534","0.003","11.03","0.004","16.148","0.005","75.637","0.004","84.351","0.005","85.307","0.004","1462.8","0.9","100","2","100","2","","","","","","","","5","P -1","-P 1","2","[(CNArDipp2)Pd]2(u-Cl)(u-C3H5)","","","- C65 H79 Cl N2 Pd2 -","- C65 H79 Cl N2 Pd2 -","- C65 H79 Cl N2 Pd2 -","1","0.5","","Barnett, Brandon R.; Labios, Liezel A.; Stauber, Julia M.; Moore, Curtis E.; Rheingold, Arnold L.; Figueroa, Joshua S.","Synthetic and Mechanistic Interrogation of Pd/Isocyanide-Catalyzed Cross-Coupling: π-Acidic Ligands Enable Self-Aggregating Monoligated Pd(0) Intermediates","Organometallics","2017","36","4","944","","10.1021/acs.organomet.7b00035","","","0.71073","MoKα","","0.0399","0.0334","","","0.0762","0.0809","","","","","","1.033","","","","has coordinates,has disorder","193331","2020-10-21","18:00:00",""
"4087103","9.3164","0.001","12.2291","0.0013","16.0753","0.0017","107.346","0.003","92.444","0.003","105.882","0.003","1666","0.3","100","2","100","2","","","","","","","","6","P -1","-P 1","2","[(CNArDipp2)Pd]2(u-allyl)(u-OtBu)","","","- C75 H93 F N2 O Pd2 -","- C75 H93 F N2 O Pd2 -","- C75 H93 F N2 O Pd2 -","1","0.5","","Barnett, Brandon R.; Labios, Liezel A.; Stauber, Julia M.; Moore, Curtis E.; Rheingold, Arnold L.; Figueroa, Joshua S.","Synthetic and Mechanistic Interrogation of Pd/Isocyanide-Catalyzed Cross-Coupling: π-Acidic Ligands Enable Self-Aggregating Monoligated Pd(0) Intermediates","Organometallics","2017","36","4","944","","10.1021/acs.organomet.7b00035","","","0.71073","MoKα","","0.0684","0.0604","","","0.1886","0.195","","","","","","1.023","","","","has coordinates,has disorder","193331","2020-10-21","18:00:00",""
"4087104","18.1967","0.0005","18.1967","0.0005","45.5371","0.0016","90","","90","","120","","13058.1","0.7","120","2","120","","","","","","","","","5","P -3 c 1","-P 3 2""c","165","Pd3(eta2-Dipp-u-CNArDipp2)3","","","- C145 H215 N3 O13 Pd3 -","- C93 H111 N3 Pd3 -","- C372 H444 N12 Pd12 -","4","0.333333","","Barnett, Brandon R.; Labios, Liezel A.; Stauber, Julia M.; Moore, Curtis E.; Rheingold, Arnold L.; Figueroa, Joshua S.","Synthetic and Mechanistic Interrogation of Pd/Isocyanide-Catalyzed Cross-Coupling: π-Acidic Ligands Enable Self-Aggregating Monoligated Pd(0) Intermediates","Organometallics","2017","36","4","944","","10.1021/acs.organomet.7b00035","","x-ray","1.54184","CuKα","","0.0636","0.0574","","","0.137","0.1413","","","","","","1.219","","","","has coordinates","193331","2020-10-21","18:00:00",""
"4087105","15.618","0.008","16.161","0.008","20.549","0.01","80.016","0.007","84.921","0.007","65.649","0.006","4653","4","100","2","100.15","","","","","","","","","5","P -1","-P 1","2","Pd3(u-CO)3(CNArDipp2)3","","","- C100 H121 N3 O4 Pd3 -","- C100 H121 N3 O4 Pd3 -","- C200 H242 N6 O8 Pd6 -","2","1","","Barnett, Brandon R.; Labios, Liezel A.; Stauber, Julia M.; Moore, Curtis E.; Rheingold, Arnold L.; Figueroa, Joshua S.","Synthetic and Mechanistic Interrogation of Pd/Isocyanide-Catalyzed Cross-Coupling: π-Acidic Ligands Enable Self-Aggregating Monoligated Pd(0) Intermediates","Organometallics","2017","36","4","944","","10.1021/acs.organomet.7b00035","","","0.71073","MoKα","","0.1227","0.0496","","","0.07","0.0881","","","","","","0.754","","","","has coordinates","193331","2020-10-21","18:00:00",""
"4087106","14.7874","0.0007","8.9216","0.0004","31.0087","0.0014","90","","102.604","0.001","90","","3992.3","0.3","120","2","120","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C14 H32 B9 Ir S -","- C14 H32 B9 Ir S -","- C112 H256 B72 Ir8 S8 -","8","2","","Vinogradov, Mikhail M.; Nelyubina, Yulia V.; Pavlov, Alexander A.; Novikov, Valentin V.; Shvydkiy, Nikita V.; Kudinov, Alexander R.","Polyhedral Rearrangements in the Complexes of Rhodium and Iridium with Isomeric Carborane Anions [7,8-Me2-X-SMe2-7,8-nido-C2B9H8]− (X = 9 and 10)","Organometallics","2017","36","4","791","","10.1021/acs.organomet.6b00858","","","0.71073","MoKα","","0.0749","0.0548","","","0.1077","0.1156","","","","","","1.236","","","","has coordinates","193332","2020-10-21","18:00:00",""
"4087107","9.3844","0.0014","10.7779","0.0017","14.414","0.002","90","","108.81","0.003","90","","1380","0.4","120","2","120","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C6 H20 B9 S Tl -","- C6 H20 B9 S Tl -","- C24 H80 B36 S4 Tl4 -","4","1","","Vinogradov, Mikhail M.; Nelyubina, Yulia V.; Pavlov, Alexander A.; Novikov, Valentin V.; Shvydkiy, Nikita V.; Kudinov, Alexander R.","Polyhedral Rearrangements in the Complexes of Rhodium and Iridium with Isomeric Carborane Anions [7,8-Me2-X-SMe2-7,8-nido-C2B9H8]− (X = 9 and 10)","Organometallics","2017","36","4","791","","10.1021/acs.organomet.6b00858","","","0.71073","MoKα","","0.0416","0.0308","","","0.0663","0.0706","","","","","","1.03","","","","has coordinates","193333","2020-10-21","18:00:00",""
"4087108","12.293","0.008","21.76","0.015","14.789","0.01","90","","106.141","0.012","90","","3800","4","100","2","100","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C37 H53 N S Si2 U -","- C37 H53 N S Si2 U -","- C148 H212 N4 S4 Si8 U4 -","4","1","","Zhang, Lei; Fang, Bo; Hou, Guohua; Zi, Guofu; Ding, Wanjian; Walter, Marc D.","Experimental and Computational Studies of a Uranium Metallacyclocumulene","Organometallics","2017","36","4","898","","10.1021/acs.organomet.6b00936","","","0.71073","MoKα","","0.0727","0.052","","","0.122","0.134","","","","","","0.988","","","","has coordinates","193334","2020-10-21","18:00:00",""
"4087109","14.921","0.013","15.613","0.014","19.435","0.018","90","","106.68","0.016","90","","4337","7","100","2","100","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C43 H70 N2 Si2 U -","- C43 H70 N2 Si2 U -","- C172 H280 N8 Si8 U4 -","4","1","","Zhang, Lei; Fang, Bo; Hou, Guohua; Zi, Guofu; Ding, Wanjian; Walter, Marc D.","Experimental and Computational Studies of a Uranium Metallacyclocumulene","Organometallics","2017","36","4","898","","10.1021/acs.organomet.6b00936","","","0.71073","MoKα","","0.1087","0.0603","","","0.1467","0.1795","","","","","","0.955","","","","has coordinates","193334","2020-10-21","18:00:00",""
"4087110","12.006","0.009","16.997","0.013","18.691","0.014","103.281","0.012","92.099","0.013","100.821","0.013","3633","5","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","","","- C37 H58 N2 Si2 U -","- C37 H58 N2 Si2 U -","- C148 H232 N8 Si8 U4 -","4","2","","Zhang, Lei; Fang, Bo; Hou, Guohua; Zi, Guofu; Ding, Wanjian; Walter, Marc D.","Experimental and Computational Studies of a Uranium Metallacyclocumulene","Organometallics","2017","36","4","898","","10.1021/acs.organomet.6b00936","","","0.71073","MoKα","","0.0944","0.0717","","","0.1867","0.2057","","","","","","0.984","","","","has coordinates,has disorder","193334","2020-10-21","18:00:00",""
"4087111","10.176","0.009","11.81","0.011","16.215","0.015","73.77","0.018","89.12","0.017","76.105","0.017","1813","3","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","","","- C39 H55 N Si2 U -","- C39 H55 N Si2 U -","- C78 H110 N2 Si4 U2 -","2","1","","Zhang, Lei; Fang, Bo; Hou, Guohua; Zi, Guofu; Ding, Wanjian; Walter, Marc D.","Experimental and Computational Studies of a Uranium Metallacyclocumulene","Organometallics","2017","36","4","898","","10.1021/acs.organomet.6b00936","","","0.71073","MoKα","","0.097","0.0815","","","0.2038","0.2171","","","","","","1.005","","","","has coordinates","193334","2020-10-21","18:00:00",""
"4087112","23.144","0.013","9.884","0.005","24.028","0.013","90","","116.312","0.01","90","","4927","5","100","2","100","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C44 H58 Cl2 O2 Si2 U -","- C44 H58 Cl2 O2 Si2 U -","- C176 H232 Cl8 O8 Si8 U4 -","4","1","","Zhang, Lei; Fang, Bo; Hou, Guohua; Zi, Guofu; Ding, Wanjian; Walter, Marc D.","Experimental and Computational Studies of a Uranium Metallacyclocumulene","Organometallics","2017","36","4","898","","10.1021/acs.organomet.6b00936","","","0.71073","MoKα","","0.0839","0.0454","","","0.0957","0.1114","","","","","","0.965","","","","has coordinates","193334","2020-10-21","18:00:00",""
"4087113","44.46","0.04","9.952","0.01","24.4","0.02","90","","93.07","0.03","90","","10781","17","100","2","100","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C59 H71 O2 Si2 U -","- C59 H71 O2 Si2 U -","- C472 H568 O16 Si16 U8 -","8","1","","Zhang, Lei; Fang, Bo; Hou, Guohua; Zi, Guofu; Ding, Wanjian; Walter, Marc D.","Experimental and Computational Studies of a Uranium Metallacyclocumulene","Organometallics","2017","36","4","898","","10.1021/acs.organomet.6b00936","","","0.71073","MoKα","","0.0886","0.0558","","","0.1242","0.1376","","","","","","0.978","","","","has coordinates","193334","2020-10-21","18:00:00",""
"4087114","9.93","0.011","12.459","0.014","18.97","0.02","91.42","0.02","92.36","0.02","107.882","0.018","2230","4","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","","","- C46 H64 O2 Si2 U -","- C46 H64 O2 Si2 U -","- C92 H128 O4 Si4 U2 -","2","1","","Zhang, Lei; Fang, Bo; Hou, Guohua; Zi, Guofu; Ding, Wanjian; Walter, Marc D.","Experimental and Computational Studies of a Uranium Metallacyclocumulene","Organometallics","2017","36","4","898","","10.1021/acs.organomet.6b00936","","","0.71073","MoKα","","0.1017","0.0804","","","0.1985","0.2114","","","","","","1.012","","","","has coordinates","193334","2020-10-21","18:00:00",""
"4087115","11.655","0.014","13.036","0.015","17.29","0.02","101.615","0.019","96.49","0.02","116.24","0.018","2246","5","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","","","- C45 H75 O2 Si2 U -","- C45 H75 O2 Si2 U -","- C90 H150 O4 Si4 U2 -","2","1","","Zhang, Lei; Fang, Bo; Hou, Guohua; Zi, Guofu; Ding, Wanjian; Walter, Marc D.","Experimental and Computational Studies of a Uranium Metallacyclocumulene","Organometallics","2017","36","4","898","","10.1021/acs.organomet.6b00936","","","0.71073","MoKα","","0.0668","0.0598","","","0.1575","0.1628","","","","","","1","","","","has coordinates","193334","2020-10-21","18:00:00",""
"4087116","12.06","0.008","13.003","0.008","15.96","0.01","84.902","0.009","85.708","0.009","62.997","0.009","2219","2","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","","","- C48 H64 O2 Si2 U -","- C48 H64 O2 Si2 U -","- C96 H128 O4 Si4 U2 -","2","1","","Zhang, Lei; Fang, Bo; Hou, Guohua; Zi, Guofu; Ding, Wanjian; Walter, Marc D.","Experimental and Computational Studies of a Uranium Metallacyclocumulene","Organometallics","2017","36","4","898","","10.1021/acs.organomet.6b00936","","","0.71073","MoKα","","0.0679","0.0472","","","0.0983","0.107","","","","","","1.002","","","","has coordinates,has disorder","193334","2020-10-21","18:00:00",""
"4087117","16.878","0.007","18.501","0.009","13.35","0.006","90","","96.2","0.009","90","","4144","3","100","2","100","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C44 H58 N2 Si2 U -","- C44 H58 N2 Si2 U -","- C176 H232 N8 Si8 U4 -","4","1","","Zhang, Lei; Fang, Bo; Hou, Guohua; Zi, Guofu; Ding, Wanjian; Walter, Marc D.","Experimental and Computational Studies of a Uranium Metallacyclocumulene","Organometallics","2017","36","4","898","","10.1021/acs.organomet.6b00936","","","0.71073","MoKα","","0.0737","0.0425","","","0.0734","0.0824","","","","","","0.94","","","","has coordinates","193334","2020-10-21","18:00:00",""
"4087118","14.365","0.006","12.147","0.006","21.309","0.01","90","","91.984","0.011","90","","3716","3","100","2","100","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C33 H57 N Si3 U -","- C33 H57 N Si3 U -","- C132 H228 N4 Si12 U4 -","4","1","","Zhang, Lei; Fang, Bo; Hou, Guohua; Zi, Guofu; Ding, Wanjian; Walter, Marc D.","Experimental and Computational Studies of a Uranium Metallacyclocumulene","Organometallics","2017","36","4","898","","10.1021/acs.organomet.6b00936","","","0.71073","MoKα","","0.0772","0.0623","","","0.1568","0.1747","","","","","","1","","","","has coordinates","193334","2020-10-21","18:00:00",""
"4087119","44.48","0.02","10.089","0.005","24.39","0.013","90","","92.524","0.009","90","","10935","9","100","2","100","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C59 H71 O2 Si2 Th -","- C59 H71 O2 Si2 Th -","- C472 H568 O16 Si16 Th8 -","8","1","","Zhang, Lei; Fang, Bo; Hou, Guohua; Zi, Guofu; Ding, Wanjian; Walter, Marc D.","Experimental and Computational Studies of a Uranium Metallacyclocumulene","Organometallics","2017","36","4","898","","10.1021/acs.organomet.6b00936","","","0.71073","MoKα","","0.1038","0.0763","","","0.1823","0.1979","","","","","","1.049","","","","has coordinates","193334","2020-10-21","18:00:00",""
"4087120","11.0398","0.001","12.004","0.001","26.202","0.002","90","","93.087","0.004","90","","3467.3","0.5","200","2","200","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C69 H70 F14 N4 O6 S4 -","- C69 H70 F14 N4 O6 S4 -","- C138 H140 F28 N8 O12 S8 -","2","0.5","","Leclerc, Matthew C.; Gabidullin, Bulat M.; Da Gama, Jason G.; Daifuku, Stephanie L.; Iannuzzi, Theresa E.; Neidig, Michael L.; Baker, R. Tom","Transition-Metal-Free Formation of C-E Bonds (E = C, N, O, S) and Formation of C-M Bonds (M = Mn, Mo) from N-Heterocyclic Carbene Mediated Fluoroalkene C-F Bond Activation.","Organometallics","2017","36","4","849","857","10.1021/acs.organomet.6b00908","","","0.71073","MoKα","","0.1103","0.0707","","","0.1964","0.2268","","","","","","1.022","","","","has coordinates,has disorder","198423","2020-10-21","18:00:00",""
"4087121","8.2558","0.0002","14.4009","0.0003","28.6123","0.0006","90","","90.506","0.001","90","","3401.61","0.13","200","2","200","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C29 H32 F8 N4 O3 S -","- C29 H32 F8 N4 O3 S -","- C116 H128 F32 N16 O12 S4 -","4","1","","Leclerc, Matthew C.; Gabidullin, Bulat M.; Da Gama, Jason G.; Daifuku, Stephanie L.; Iannuzzi, Theresa E.; Neidig, Michael L.; Baker, R. Tom","Transition-Metal-Free Formation of C-E Bonds (E = C, N, O, S) and Formation of C-M Bonds (M = Mn, Mo) from N-Heterocyclic Carbene Mediated Fluoroalkene C-F Bond Activation.","Organometallics","2017","36","4","849","857","10.1021/acs.organomet.6b00908","","","0.71073","MoKα","","0.0835","0.0539","","","0.1466","0.1649","","","","","","1.039","","","","has coordinates,has disorder","198423","2020-10-21","18:00:00",""
"4087122","8.2473","0.0009","14.5433","0.0015","28.32","0.003","90","","90.445","0.005","90","","3396.7","0.6","200","2","200","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C29 H32 F6 N4 O4 S -","- C29 H32 F6 N4 O4 S -","- C116 H128 F24 N16 O16 S4 -","4","1","","Leclerc, Matthew C.; Gabidullin, Bulat M.; Da Gama, Jason G.; Daifuku, Stephanie L.; Iannuzzi, Theresa E.; Neidig, Michael L.; Baker, R. Tom","Transition-Metal-Free Formation of C-E Bonds (E = C, N, O, S) and Formation of C-M Bonds (M = Mn, Mo) from N-Heterocyclic Carbene Mediated Fluoroalkene C-F Bond Activation.","Organometallics","2017","36","4","849","857","10.1021/acs.organomet.6b00908","","","0.71073","MoKα","","0.1499","0.1102","","","0.3035","0.3305","","","","","","1.206","","","","has coordinates,has disorder","198423","2020-10-21","18:00:00",""
"4087123","8.4965","0.0003","19.0343","0.0008","15.7697","0.0006","90","","100.069","0.002","90","","2511.07","0.17","200","2","200","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C28.5 H32 Cl F N2 -","- C28.5 H32 Cl F N2 -","- C114 H128 Cl4 F4 N8 -","4","1","","Leclerc, Matthew C.; Gabidullin, Bulat M.; Da Gama, Jason G.; Daifuku, Stephanie L.; Iannuzzi, Theresa E.; Neidig, Michael L.; Baker, R. Tom","Transition-Metal-Free Formation of C-E Bonds (E = C, N, O, S) and Formation of C-M Bonds (M = Mn, Mo) from N-Heterocyclic Carbene Mediated Fluoroalkene C-F Bond Activation.","Organometallics","2017","36","4","849","857","10.1021/acs.organomet.6b00908","","","0.71073","MoKα","","0.1043","0.0612","","","0.1465","0.169","","","","","","1.012","","","","has coordinates,has disorder","198423","2020-10-21","18:00:00",""
"4087124","13.4991","0.0005","20.9929","0.0009","13.2242","0.0005","90","","118.356","0.001","90","","3297.9","0.2","200","2","200","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C30 H26 F7 Mn N2 O8 S -","- C30 H26 F7 Mn N2 O8 S -","- C120 H104 F28 Mn4 N8 O32 S4 -","4","1","","Leclerc, Matthew C.; Gabidullin, Bulat M.; Da Gama, Jason G.; Daifuku, Stephanie L.; Iannuzzi, Theresa E.; Neidig, Michael L.; Baker, R. Tom","Transition-Metal-Free Formation of C-E Bonds (E = C, N, O, S) and Formation of C-M Bonds (M = Mn, Mo) from N-Heterocyclic Carbene Mediated Fluoroalkene C-F Bond Activation.","Organometallics","2017","36","4","849","857","10.1021/acs.organomet.6b00908","","","0.71073","MoKα","","0.1175","0.075","","","0.1323","0.1465","","","","","","1.124","","","","has coordinates,has disorder","198423","2020-10-21","18:00:00",""
"4087125","13.0591","0.0009","15.114","0.0009","15.2086","0.0011","90","","113.09","0.009","90","","2761.3","0.4","293","2","293","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C22 H44 Cl Ir O2 P2 -","- C22 H44 Cl Ir O2 P2 -","- C88 H176 Cl4 Ir4 O8 P8 -","4","1","","Polukeev, Alexey V.; Wendt, Ola F.","Cyclohexane-Based Phosphinite Iridium Pincer Complexes: Synthesis, Characterization, Carbene Formation, and Catalytic Activity in Dehydrogenation Reactions","Organometallics","2017","36","3","639","","10.1021/acs.organomet.6b00846","","","0.71073","MoKα","","0.2713","0.1331","","","0.2001","0.2557","","","","","","1.076","","","","has coordinates","193336","2020-10-21","18:00:00",""
"4087126","8.5436","0.0007","12.3433","0.0012","13.7184","0.0013","99.093","0.008","97.272","0.007","105.544","0.008","1354.4","0.2","293","2","293","2","","","","","","","","6","P -1","-P 1","2","","","","- C22 H46 Cl Ir O2 P2 -","- C22 H45 Cl Ir O2 P2 -","- C44 H90 Cl2 Ir2 O4 P4 -","2","1","","Polukeev, Alexey V.; Wendt, Ola F.","Cyclohexane-Based Phosphinite Iridium Pincer Complexes: Synthesis, Characterization, Carbene Formation, and Catalytic Activity in Dehydrogenation Reactions","Organometallics","2017","36","3","639","","10.1021/acs.organomet.6b00846","","","0.71073","MoKα","","0.0587","0.0441","","","0.098","0.1105","","","","","","1.063","","","","has coordinates,has disorder","193336","2020-10-21","18:00:00",""
"4087127","8.4879","0.0006","12.2912","0.0006","13.6594","0.0008","99.397","0.005","96.601","0.005","105.6","0.005","1335.07","0.15","293","2","293","2","","","","","","","","6","P -1","-P 1","2","","","","- C22 H46 Cl Ir O2 P2 -","- C22 H45 Cl Ir O2 P2 -","- C44 H90 Cl2 Ir2 O4 P4 -","2","1","","Polukeev, Alexey V.; Wendt, Ola F.","Cyclohexane-Based Phosphinite Iridium Pincer Complexes: Synthesis, Characterization, Carbene Formation, and Catalytic Activity in Dehydrogenation Reactions","Organometallics","2017","36","3","639","","10.1021/acs.organomet.6b00846","","","0.71073","MoKα","","0.0673","0.0519","","","0.1172","0.1259","","","","","","1.066","","","","has coordinates,has disorder","193336","2020-10-21","18:00:00",""
"4087128","12.0322","0.0003","16.8416","0.0005","18.8384","0.0005","71.437","0.002","85.787","0.002","76.908","0.002","3524.77","0.17","293","2","293","2","","","","","","","","6","P -1","-P 1","2","","","","- C30 H57 Cl2 Ir2 O2 P2 -","- C30 H57 Cl2 Ir2 O2 P2 -","- C120 H228 Cl8 Ir8 O8 P8 -","4","2","","Polukeev, Alexey V.; Wendt, Ola F.","Cyclohexane-Based Phosphinite Iridium Pincer Complexes: Synthesis, Characterization, Carbene Formation, and Catalytic Activity in Dehydrogenation Reactions","Organometallics","2017","36","3","639","","10.1021/acs.organomet.6b00846","","","0.71073","MoKα","","0.0513","0.0339","","","0.0636","0.0696","","","","","","1.077","","","","has coordinates","193336","2020-10-21","18:00:00",""
"4087129","6.316","0.0018","10.023","0.003","15.378","0.005","70.431","0.009","81.29","0.012","80.513","0.013","899.9","0.5","93","","93","","","","","","","","","3","P -1","-P 1","2","","","","- C36 H42 Si4 -","- C36 H42 Si4 -","- C36 H42 Si4 -","1","0.5","","Xu, Feng; Nishida, Takanori; Shinohara, Kenta; Peng, Lifen; Takezaki, Makoto; Kamada, Takahiro; Akashi, Haruo; Nakamura, Hiromu; Sugiyama, Kouki; Ohta, Kazuchika; Orita, Akihiro; Otera, Junzo","Trimethylsilyl Group Assisted Stimuli Response: Self-Assembly of 1,3,6,8-Tetrakis((trimethysilyl)ethynyl)pyrene","Organometallics","2017","36","3","556","","10.1021/acs.organomet.6b00781","","","0.71075","MoKα","","","0.0545","","","","0.1218","","","","","","1.098","","","","has coordinates","193337","2020-10-21","18:00:00",""
"4087130","13.5441","0.0003","16.7176","0.0005","17.3618","0.0004","90","","92.952","0.008","90","","3925.93","0.17","100","2","100","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C40 H61 Cl Li N3 O2 U -","- C40 H61 Cl Li N3 O2 U -","- C160 H244 Cl4 Li4 N12 O8 U4 -","4","1","","Kiernicki, John J.; Staun, Selena L.; Zeller, Matthias; Bart, Suzanne C.","A Uranium(IV) Triamide Species with Brønsted Basic Ligand Character: Metal‒Ligand Cooperativity in the f Block","Organometallics","2017","36","3","665","","10.1021/acs.organomet.6b00861","","","0.71073","MoKα","","0.0855","0.0545","","","0.1278","0.1483","","","","","","1.022","","","","has coordinates","193338","2020-10-21","18:00:00",""
"4087131","13.4818","0.0002","11.9095","0.0002","29.3157","0.0005","90","","93.3236","0.0006","90","","4699.06","0.13","100","2","100","2","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C48 H62 Cl2 N3 O3 P U -","- C48 H62 Cl2 N3 O3 P U -","- C192 H248 Cl8 N12 O12 P4 U4 -","4","1","","Kiernicki, John J.; Staun, Selena L.; Zeller, Matthias; Bart, Suzanne C.","A Uranium(IV) Triamide Species with Brønsted Basic Ligand Character: Metal‒Ligand Cooperativity in the f Block","Organometallics","2017","36","3","665","","10.1021/acs.organomet.6b00861","","","0.71073","MoKα","","0.0524","0.0343","","","0.0764","0.0823","","","","","","1.026","","","","has coordinates,has disorder","193339","2020-10-21","18:00:00",""
"4087132","33.798","0.005","11.1121","0.0015","18.32","0.003","90","","90","","90","","6880.4","1.8","113","","113","","","","","","","","","8","P c c n","-P 2ab 2ac","56","","","","- C73 H62 Cl2 Fe2 Ni2 O6 P4 S4 -","- C73 H62 Cl2 Fe2 Ni2 O6 P4 S4 -","- C292 H248 Cl8 Fe8 Ni8 O24 P16 S16 -","4","0.5","","Song, Li-Cheng; Lu, Yu; Zhu, Liang; Li, Qian-Li","Dithiolato- and Diselenolato-Bridged Nickel‒Iron Biomimetics for the Active Site of [NiFe]Hydrogenases","Organometallics","2017","36","3","750","","10.1021/acs.organomet.6b00942","","","0.71073","MoKα","","0.053","0.0462","","","0.0995","0.1024","","","","","","1.161","","","","has coordinates","193340","2020-10-21","18:00:00",""
"4087133","33.928","0.008","11.157","0.003","18.479","0.004","90","","90","","90","","6995","3","113","","113","","","","","","","","","8","P c c n","-P 2ab 2ac","56","","","","- C73 H62 Cl2 Fe2 Ni2 O6 P4 Se4 -","- C73 H62 Cl2 Fe2 Ni2 O6 P4 Se4 -","- C292 H248 Cl8 Fe8 Ni8 O24 P16 Se16 -","4","0.5","","Song, Li-Cheng; Lu, Yu; Zhu, Liang; Li, Qian-Li","Dithiolato- and Diselenolato-Bridged Nickel‒Iron Biomimetics for the Active Site of [NiFe]Hydrogenases","Organometallics","2017","36","3","750","","10.1021/acs.organomet.6b00942","","","0.71073","MoKα","","0.0419","0.034","","","0.073","0.0761","","","","","","1.017","","","","has coordinates,has disorder","193340","2020-10-21","18:00:00",""
"4087134","15.146","0.004","10.181","0.002","25.035","0.006","90","","90.594","0.003","90","","3860.2","1.6","113","2","113","2","","","","","","","","10","P 1 21/c 1","-P 2ybc","14","","","","- C37 H33 B Cl2 F4 Fe Ni O3 P2 S2 -","- C37 H33 B Cl2 F4 Fe Ni O3 P2 S2 -","- C148 H132 B4 Cl8 F16 Fe4 Ni4 O12 P8 S8 -","4","1","","Song, Li-Cheng; Lu, Yu; Zhu, Liang; Li, Qian-Li","Dithiolato- and Diselenolato-Bridged Nickel‒Iron Biomimetics for the Active Site of [NiFe]Hydrogenases","Organometallics","2017","36","3","750","","10.1021/acs.organomet.6b00942","","","0.71073","MoKα","","0.0591","0.045","","","0.1037","0.1162","","","","","","1.039","","","","has coordinates,has disorder","193340","2020-10-21","18:00:00",""
"4087135","29.86","0.006","10.717","0.002","26.157","0.005","90","","90.29","0.03","90","","8370","3","293.15","","293.15","","","","","","","","","10","C 1 2/c 1","-C 2yc","15","","","","- C37 H32 B Cl3 F4 Fe Ni O3 P2 Se2 -","- C37 H32 B Cl3 F4 Fe Ni O3 P2 Se2 -","- C296 H256 B8 Cl24 F32 Fe8 Ni8 O24 P16 Se16 -","8","1","","Song, Li-Cheng; Lu, Yu; Zhu, Liang; Li, Qian-Li","Dithiolato- and Diselenolato-Bridged Nickel‒Iron Biomimetics for the Active Site of [NiFe]Hydrogenases","Organometallics","2017","36","3","750","","10.1021/acs.organomet.6b00942","","","0.71073","MoKα","","0.0787","0.0528","","","0.12","0.1338","","","","","","1.058","","","","has coordinates,has disorder","193340","2020-10-21","18:00:00",""
"4087136","15.1372","0.0003","10.1875","0.0002","24.8639","0.0006","90","","90.59","0.002","90","","3834.06","0.14","100","0.1","100","0.1","","","","","","","","11","P 1 21/c 1","-P 2ybc","14","","","","- C37 H32 B Cl2 D F4 Fe Ni O3 P2 S2 -","- C37 H32 B Cl2 D F4 Fe Ni O3 P2 S2 -","- C148 H128 B4 Cl8 D4 F16 Fe4 Ni4 O12 P8 S8 -","4","1","","Song, Li-Cheng; Lu, Yu; Zhu, Liang; Li, Qian-Li","Dithiolato- and Diselenolato-Bridged Nickel‒Iron Biomimetics for the Active Site of [NiFe]Hydrogenases","Organometallics","2017","36","3","750","","10.1021/acs.organomet.6b00942","","x-ray","1.54184","CuKα","","0.0671","0.0534","","","0.1373","0.1483","","","","","","1.02","","","","has coordinates,has disorder","193340","2020-10-21","18:00:00",""
"4087137","15.072","0.005","10.353","0.003","25.09","0.006","90","","91.039","0.008","90","","3914","2","113","","113","","","","","","","","","11","P 1 21/c 1","-P 2ybc","14","","","","- C37 H32 B Cl2 D F4 Fe Ni O3 P2 Se2 -","- C37 H32 B Cl2 D F4 Fe Ni O3 P2 Se2 -","- C148 H128 B4 Cl8 D4 F16 Fe4 Ni4 O12 P8 Se8 -","4","1","","Song, Li-Cheng; Lu, Yu; Zhu, Liang; Li, Qian-Li","Dithiolato- and Diselenolato-Bridged Nickel‒Iron Biomimetics for the Active Site of [NiFe]Hydrogenases","Organometallics","2017","36","3","750","","10.1021/acs.organomet.6b00942","","","0.71073","MoKα","","0.0317","0.0257","","","0.0651","0.0671","","","","","","1.029","","","","has coordinates","193340","2020-10-21","18:00:00",""
"4087138","27.4912","0.0006","12.6235","0.0003","11.0362","0.0002","90","","90","","90","","3829.95","0.14","173","2","173","2","","","","","","","synthesis as described","4","P b c n","-P 2n 2ab","60","","","","- C22 H20 N2 Si -","- C22 H20 N2 Si -","- C176 H160 N16 Si8 -","8","1","","Lei, Hu; Aly, Shawkat M.; Karsenti, Paul-Ludovic; Fortin, Daniel; Harvey, Pierre D.","Luminescent Organometallic Complexes Built upon the Nonemissive Azophenine","Organometallics","2017","36","3","572","","10.1021/acs.organomet.6b00789","","x-ray","1.54178","CuKα","","0.1439","0.0772","","","0.1975","0.2405","","","","","","1.045","","","","has coordinates","193341","2020-10-21","18:00:00",""
"4087139","44.4373","0.0008","9.1907","0.0002","12.5395","0.0002","90","","100.535","0.001","90","","5034.93","0.16","173","2","173","2","","","","","","","synthesis as described","4","C 1 2/c 1","-C 2yc","15","","","","- C28 H32 N2 Si -","- C28 H32 N2 Si -","- C224 H256 N16 Si8 -","8","1","","Lei, Hu; Aly, Shawkat M.; Karsenti, Paul-Ludovic; Fortin, Daniel; Harvey, Pierre D.","Luminescent Organometallic Complexes Built upon the Nonemissive Azophenine","Organometallics","2017","36","3","572","","10.1021/acs.organomet.6b00789","","x-ray","1.54178","CuKα","","0.0541","0.0484","","","0.1277","0.1322","","","","","","0.978","","","","has coordinates","193342","2020-10-21","18:00:00",""
"4087140","8.6121","0.0007","12.2899","0.001","19.1871","0.0015","90","","90","","90","","2030.8","0.3","100","2","100","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C24 H23 Cl N P -","- C24 H23 Cl N P -","- C96 H92 Cl4 N4 P4 -","4","1","","Herrera, Alberto; Grasruck, Alexander; Heinemann, Frank W.; Scheurer, Andreas; Chelouan, Ahmed; Frieß, Sibylle; Seidel, Falk; Dorta, Romano","Developing P-Stereogenic, Planar‒Chiral P-Alkene Ligands: Monodentate, Bidentate, and Double Agostic Coordination Modes on Ru(II)","Organometallics","2017","36","3","714","","10.1021/acs.organomet.6b00879","","","0.71073","MoKα","","0.0357","0.0312","","","0.0719","0.0742","","","","","","1.051","","","","has coordinates","193343","2020-10-21","18:00:00",""
"4087141","7.8586","0.0007","11.9229","0.0009","12.133","0.0016","78.522","0.009","78.721","0.006","78.902","0.005","1078.54","0.19","100","2","100.15","","","","","","","","","5","P -1","-P 1","2","","","","- C25 H29 B N P -","- C25 H29 B N P -","- C50 H58 B2 N2 P2 -","2","1","","Herrera, Alberto; Grasruck, Alexander; Heinemann, Frank W.; Scheurer, Andreas; Chelouan, Ahmed; Frieß, Sibylle; Seidel, Falk; Dorta, Romano","Developing P-Stereogenic, Planar‒Chiral P-Alkene Ligands: Monodentate, Bidentate, and Double Agostic Coordination Modes on Ru(II)","Organometallics","2017","36","3","714","","10.1021/acs.organomet.6b00879","","","0.71073","MoKα","","0.0482","0.0384","","","0.0962","0.1032","","","","","","1.031","","","","has coordinates","193343","2020-10-21","18:00:00",""
"4087142","10.0993","0.0011","14.0965","0.0015","19.409","0.002","103.571","0.003","97.882","0.003","97.018","0.003","2626.2","0.5","100","2","100.15","","","","","","","","","6","P 1","P 1","1","","","","- C108 H126 Cl12 N3 P3 Ru3 -","- C108.003 H126.006 Cl12.006 N3 P3 Ru3 -","- C108.003 H126.006 Cl12.006 N3 P3 Ru3 -","1","1","","Herrera, Alberto; Grasruck, Alexander; Heinemann, Frank W.; Scheurer, Andreas; Chelouan, Ahmed; Frieß, Sibylle; Seidel, Falk; Dorta, Romano","Developing P-Stereogenic, Planar‒Chiral P-Alkene Ligands: Monodentate, Bidentate, and Double Agostic Coordination Modes on Ru(II)","Organometallics","2017","36","3","714","","10.1021/acs.organomet.6b00879","","","0.71073","MoKα","","0.039","0.0334","","","0.0814","0.0851","","","","","","1.032","","","","has coordinates,has disorder","193343","2020-10-21","18:00:00",""
"4087143","30.553","0.004","10.4072","0.0013","13.7519","0.0017","90","","90.62","0.003","90","","4372.5","1","100","2","100.15","","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C50 H52 Cl2 N2 P2 Ru -","- C50 H52 Cl2 N2 P2 Ru -","- C200 H208 Cl8 N8 P8 Ru4 -","4","1","","Herrera, Alberto; Grasruck, Alexander; Heinemann, Frank W.; Scheurer, Andreas; Chelouan, Ahmed; Frieß, Sibylle; Seidel, Falk; Dorta, Romano","Developing P-Stereogenic, Planar‒Chiral P-Alkene Ligands: Monodentate, Bidentate, and Double Agostic Coordination Modes on Ru(II)","Organometallics","2017","36","3","714","","10.1021/acs.organomet.6b00879","","","0.71073","MoKα","","0.0828","0.0479","","","0.0908","0.1043","","","","","","1.056","","","","has coordinates","193343","2020-10-21","18:00:00",""
"4087144","29.282","0.004","17.432","0.003","20.054","0.005","90","","131.445","0.001","90","","7673","3","100","2","100.15","","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C36 H41 Cl7 N P Ru2 -","- C36 H41 Cl7 N P Ru2 -","- C288 H328 Cl56 N8 P8 Ru16 -","8","1","","Herrera, Alberto; Grasruck, Alexander; Heinemann, Frank W.; Scheurer, Andreas; Chelouan, Ahmed; Frieß, Sibylle; Seidel, Falk; Dorta, Romano","Developing P-Stereogenic, Planar‒Chiral P-Alkene Ligands: Monodentate, Bidentate, and Double Agostic Coordination Modes on Ru(II)","Organometallics","2017","36","3","714","","10.1021/acs.organomet.6b00879","","","0.71073","MoKα","","0.0634","0.0443","","","0.1143","0.1313","","","","","","1.081","","","","has coordinates,has disorder","193343","2020-10-21","18:00:00",""
"4087145","9.6978","0.0004","9.9274","0.0004","37.8896","0.0012","92.847","0.003","93.249","0.004","104.647","0.004","3515.8","0.2","140","0.1","140","0.1","","","","","","","","4","P -1","-P 1","2","","","","- C40 H56 Fe N -","- C40 H56 Fe N -","- C160 H224 Fe4 N4 -","4","2","","Zhurkin, Fedor E.; Wodrich, Matthew D.; Hu, Xile","A Monometallic Iron(I) Organoferrate","Organometallics","2017","36","3","499","","10.1021/acs.organomet.6b00841","","x-ray","1.54184","CuKα","","0.0643","0.0506","","","0.1341","0.1529","","","","","","1.047","","","","has coordinates,has disorder","193344","2020-10-21","18:00:00",""
"4087146","9.9849","0.0007","21.4059","0.0014","15.5615","0.001","90","","91.32","0.002","90","","3325.2","0.4","120","2","120","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C36 H46 Cl2 P2 Pt -","- C36 H46 Cl2 P2 Pt -","- C144 H184 Cl8 P8 Pt4 -","4","1","","Barrett, Brittany J.; Iluc, Vlad M.","An Adaptable Chelating Diphosphine Ligand for the Stabilization of Palladium and Platinum Carbenes","Organometallics","2017","36","3","730","","10.1021/acs.organomet.6b00924","","","0.71073","MoKα","","0.0466","0.0281","","","0.056","0.0602","","","","","","1.052","","","","has coordinates","193345","2020-10-21","18:00:00",""
"4087147","11.1678","0.0007","15.7553","0.0009","16.9878","0.001","88.891","0.002","73.797","0.002","80.222","0.002","2827.4","0.3","120","2","120","2","","","","","","","","5","P -1","-P 1","2","","","","- C30 H40 Cl2 P2 Pd -","- C30 H40 Cl2 P2 Pd -","- C120 H160 Cl8 P8 Pd4 -","4","2","","Barrett, Brittany J.; Iluc, Vlad M.","An Adaptable Chelating Diphosphine Ligand for the Stabilization of Palladium and Platinum Carbenes","Organometallics","2017","36","3","730","","10.1021/acs.organomet.6b00924","","","0.71073","MoKα","","0.0426","0.0313","","","0.0756","0.0803","","","","","","1.069","","","","has coordinates","193345","2020-10-21","18:00:00",""
"4087148","10.4152","0.0016","17.115","0.003","17.993","0.003","69.156","0.004","89.994","0.004","80.636","0.004","2951.7","0.9","120","2","120","2","","","","","","","","4","P -1","-P 1","2","","","","- C30 H40 P2 Pt -","- C30 H40 P2 Pt -","- C120 H160 P8 Pt4 -","4","2","","Barrett, Brittany J.; Iluc, Vlad M.","An Adaptable Chelating Diphosphine Ligand for the Stabilization of Palladium and Platinum Carbenes","Organometallics","2017","36","3","730","","10.1021/acs.organomet.6b00924","","","0.71073","MoKα","","0.1138","0.0945","","","0.2311","0.2477","","","","","","1.017","","","","has coordinates","193345","2020-10-21","18:00:00",""
"4087149","14.9955","0.001","14.4043","0.0009","18.4309","0.0012","90","","103.379","0.001","90","","3873","0.4","120","2","120","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C45 H54 P2 Pt -","- C45 H54 P2 Pt -","- C180 H216 P8 Pt4 -","4","1","","Barrett, Brittany J.; Iluc, Vlad M.","An Adaptable Chelating Diphosphine Ligand for the Stabilization of Palladium and Platinum Carbenes","Organometallics","2017","36","3","730","","10.1021/acs.organomet.6b00924","","","0.71073","MoKα","","0.0544","0.0315","","","0.0573","0.0634","","","","","","1.009","","","","has coordinates","193345","2020-10-21","18:00:00",""
"4087150","18.1059","0.0011","10.3894","0.0006","31.9405","0.0019","90","","100.576","0.0012","90","","5906.2","0.6","120","2","120","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C32.5 H46 P2 Pd -","- C32.5 H46 P2 Pd -","- C260 H368 P16 Pd8 -","8","2","","Barrett, Brittany J.; Iluc, Vlad M.","An Adaptable Chelating Diphosphine Ligand for the Stabilization of Palladium and Platinum Carbenes","Organometallics","2017","36","3","730","","10.1021/acs.organomet.6b00924","","","0.71073","MoKα","","0.0574","0.0385","","","0.0912","0.0977","","","","","","1.047","","","","has coordinates","251896","2020-10-21","18:00:00",""
"4087151","12.1666","0.0003","12.6383","0.0003","25.2046","0.0006","90","","91.113","0.001","90","","3874.86","0.16","120","2","120","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C45 H54 P2 Pd -","- C45 H54 P2 Pd -","- C180 H216 P8 Pd4 -","4","1","","Barrett, Brittany J.; Iluc, Vlad M.","An Adaptable Chelating Diphosphine Ligand for the Stabilization of Palladium and Platinum Carbenes","Organometallics","2017","36","3","730","","10.1021/acs.organomet.6b00924","","","1.54178","CuKα","","0.0272","0.025","","","0.0674","0.0689","","","","","","1.055","","","","has coordinates","193345","2020-10-21","18:00:00",""
"4087152","17.0851","0.0007","18.5952","0.0008","23.7353","0.0011","90","","90","","90","","7540.7","0.6","120","2","120","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C42 H52 P2 Pt Si -","- C42 H52 P2 Pt Si -","- C336 H416 P16 Pt8 Si8 -","8","1","","Barrett, Brittany J.; Iluc, Vlad M.","An Adaptable Chelating Diphosphine Ligand for the Stabilization of Palladium and Platinum Carbenes","Organometallics","2017","36","3","730","","10.1021/acs.organomet.6b00924","","","0.71073","MoKα","","0.0729","0.0348","","","0.0606","0.0672","","","","","","1.017","","","","has coordinates,has disorder","193345","2020-10-21","18:00:00",""
"4087153","9.7476","0.0003","13.374","0.0005","17.3877","0.0006","72.906","0.001","83.919","0.001","81.841","0.001","2139.73","0.13","120","2","120","2","","","","","","","","5","P -1","-P 1","2","","","","- C47 H62.15 P2 Pd Si -","- C47 H62.152 P2 Pd Si -","- C94 H124.304 P4 Pd2 Si2 -","2","1","","Barrett, Brittany J.; Iluc, Vlad M.","An Adaptable Chelating Diphosphine Ligand for the Stabilization of Palladium and Platinum Carbenes","Organometallics","2017","36","3","730","","10.1021/acs.organomet.6b00924","","","0.71073","MoKα","","0.0286","0.0256","","","0.0632","0.0643","","","","","","1.08","","","","has coordinates,has disorder","193345","2020-10-21","18:00:00",""
"4087154","23.0436","0.0016","23.0436","0.0016","13.4662","0.0012","90","","90","","90","","7150.7","0.9","120","2","120","2","","","","","","","","5","I -4","I -4","82","","","","- C30 H40 I P2 Pt -","- C30 H40 I P2 Pt -","- C240 H320 I8 P16 Pt8 -","8","1","","Barrett, Brittany J.; Iluc, Vlad M.","An Adaptable Chelating Diphosphine Ligand for the Stabilization of Palladium and Platinum Carbenes","Organometallics","2017","36","3","730","","10.1021/acs.organomet.6b00924","","","0.71073","MoKα","","0.0217","0.0178","","","0.0359","0.0379","","","","","","1.035","","","","has coordinates","193345","2020-10-21","18:00:00",""
"4087155","10.203","0.0009","14.0134","0.0013","20.8771","0.0019","90","","93.576","0.001","90","","2979.2","0.5","120","2","120","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C31 H43 I P2 Pt -","- C31 H43 I P2 Pt -","- C124 H172 I4 P8 Pt4 -","4","1","","Barrett, Brittany J.; Iluc, Vlad M.","An Adaptable Chelating Diphosphine Ligand for the Stabilization of Palladium and Platinum Carbenes","Organometallics","2017","36","3","730","","10.1021/acs.organomet.6b00924","","","0.71073","MoKα","","0.0196","0.0157","","","0.0343","0.0351","","","","","","1.028","","","","has coordinates","193345","2020-10-21","18:00:00",""
"4087156","11.8727","0.0012","16.4005","0.0013","17.288","0.0013","90","","91.226","0.008","90","","3365.5","0.5","150","","150","","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C34 H42 Fe O P2 Si2 -","- C34 H42 Fe O P2 Si2 -","- C136 H168 Fe4 O4 P8 Si8 -","4","1","","Burcher, Benjamin; Sanders, Kevin J.; Benda, Ladislav; Pintacuda, Guido; Jeanneau, Erwann; Danopoulos, Andreas A.; Braunstein, Pierre; Olivier-Bourbigou, Hélène; Breuil, Pierre-Alain R.","Straightforward Access to Stable, 16-Valence-Electron Phosphine-Stabilized Fe0 Olefin Complexes and Their Reactivity","Organometallics","2017","36","3","605","","10.1021/acs.organomet.6b00803","","x-ray","0.71073","MoKα","","0.0775","0.0543","","0.1221","0.0914","0.1221","","","","","","1.0288","","","","has coordinates","193346","2020-10-21","18:00:00",""
"4087157","11.8587","0.0005","11.8767","0.0004","13.4547","0.0005","76.85","0.003","74.749","0.003","69.161","0.004","1689.7","0.12","150","","150","","","","","","","","","6","P -1","-P 1","2","","","","- C35 H44 Fe O P2 Si2 -","- C35 H44 Fe O P2 Si2 -","- C70 H88 Fe2 O2 P4 Si4 -","2","1","","Burcher, Benjamin; Sanders, Kevin J.; Benda, Ladislav; Pintacuda, Guido; Jeanneau, Erwann; Danopoulos, Andreas A.; Braunstein, Pierre; Olivier-Bourbigou, Hélène; Breuil, Pierre-Alain R.","Straightforward Access to Stable, 16-Valence-Electron Phosphine-Stabilized Fe0 Olefin Complexes and Their Reactivity","Organometallics","2017","36","3","605","","10.1021/acs.organomet.6b00803","","x-ray","0.71073","MoKα","","0.0484","0.0387","","0.082","0.0729","0.0819","","","","","","0.9628","","","","has coordinates","193346","2020-10-21","18:00:00",""
"4087158","15.508","0.0003","9.75868","0.00012","15.9993","0.0003","90","","117.934","0.003","90","","2139.19","0.09","150","","150","","","","","","","","","6","I 1 2/c 1","-I 2yc","15","","","","- C14 H36 Fe O P2 Si2 -","- C14 H36 Fe O P2 Si2 -","- C56 H144 Fe4 O4 P8 Si8 -","4","0.5","","Burcher, Benjamin; Sanders, Kevin J.; Benda, Ladislav; Pintacuda, Guido; Jeanneau, Erwann; Danopoulos, Andreas A.; Braunstein, Pierre; Olivier-Bourbigou, Hélène; Breuil, Pierre-Alain R.","Straightforward Access to Stable, 16-Valence-Electron Phosphine-Stabilized Fe0 Olefin Complexes and Their Reactivity","Organometallics","2017","36","3","605","","10.1021/acs.organomet.6b00803","","x-ray","0.71073","MoKα","","0.0332","0.0286","","0.0574","0.0546","0.0571","","","","","","1.1663","","","","has coordinates","193346","2020-10-21","18:00:00",""
"4087159","32.103","0.005","11.115","0.0007","17.793","0.003","90","","127.84","0.02","90","","5014","1.8","150","","150","","","","","","","","","7","C 1 2/c 1","-C 2yc","15","","","","- C20 H39 Fe N2 O P Si2 -","- C20 H39 Fe N2 O P Si2 -","- C160 H312 Fe8 N16 O8 P8 Si16 -","8","1","","Burcher, Benjamin; Sanders, Kevin J.; Benda, Ladislav; Pintacuda, Guido; Jeanneau, Erwann; Danopoulos, Andreas A.; Braunstein, Pierre; Olivier-Bourbigou, Hélène; Breuil, Pierre-Alain R.","Straightforward Access to Stable, 16-Valence-Electron Phosphine-Stabilized Fe0 Olefin Complexes and Their Reactivity","Organometallics","2017","36","3","605","","10.1021/acs.organomet.6b00803","","x-ray","0.71073","MoKα","","0.0581","0.0486","","0.1424","0.1158","0.1424","","","","","","0.9737","","","","has coordinates","193346","2020-10-21","18:00:00",""
"4087160","11.2192","0.0003","14.5626","0.0004","17.5759","0.0003","70.958","0.002","81.77","0.002","89.191","0.002","2684.85","0.12","150","","150","","","","","","","","","5","P -1","-P 1","2","","","","- C64 H62 Fe N2 P4 -","- C64 H62 Fe N2 P4 -","- C128 H124 Fe2 N4 P8 -","2","1","","Burcher, Benjamin; Sanders, Kevin J.; Benda, Ladislav; Pintacuda, Guido; Jeanneau, Erwann; Danopoulos, Andreas A.; Braunstein, Pierre; Olivier-Bourbigou, Hélène; Breuil, Pierre-Alain R.","Straightforward Access to Stable, 16-Valence-Electron Phosphine-Stabilized Fe0 Olefin Complexes and Their Reactivity","Organometallics","2017","36","3","605","","10.1021/acs.organomet.6b00803","","x-ray","0.71073","MoKα","","0.0638","0.0469","","0.1103","0.101","0.1103","","","","","","0.9872","","","","has coordinates","193346","2020-10-21","18:00:00",""
"4087161","23.275","0.003","10.8131","0.0012","17.896","0.002","90","","106.233","0.013","90","","4324.4","0.9","150","","150","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C54 H52 Fe P4 -","- C54 H52 Fe P4 -","- C216 H208 Fe4 P16 -","4","1","","Burcher, Benjamin; Sanders, Kevin J.; Benda, Ladislav; Pintacuda, Guido; Jeanneau, Erwann; Danopoulos, Andreas A.; Braunstein, Pierre; Olivier-Bourbigou, Hélène; Breuil, Pierre-Alain R.","Straightforward Access to Stable, 16-Valence-Electron Phosphine-Stabilized Fe0 Olefin Complexes and Their Reactivity","Organometallics","2017","36","3","605","","10.1021/acs.organomet.6b00803","","x-ray","0.71073","MoKα","","0.13","0.0918","","0.2907","0.2506","0.2907","","","","","","0.9216","","","","has coordinates","193346","2020-10-21","18:00:00",""
"4087162","17.64","0.002","10.4497","0.0014","18.21","0.003","90","","106.861","0.017","90","","3212.4","0.8","150","","150","","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C35 H43 Fe P3 -","- C35 H43 Fe P3 -","- C140 H172 Fe4 P12 -","4","1","","Burcher, Benjamin; Sanders, Kevin J.; Benda, Ladislav; Pintacuda, Guido; Jeanneau, Erwann; Danopoulos, Andreas A.; Braunstein, Pierre; Olivier-Bourbigou, Hélène; Breuil, Pierre-Alain R.","Straightforward Access to Stable, 16-Valence-Electron Phosphine-Stabilized Fe0 Olefin Complexes and Their Reactivity","Organometallics","2017","36","3","605","","10.1021/acs.organomet.6b00803","","x-ray","1.54184","CuKα","","0.0808","0.0573","","0.1194","0.0995","0.1194","","","","","","0.966","","","","has coordinates","193346","2020-10-21","18:00:00",""
"4087163","12.696","0.003","12.806","0.003","12.853","0.003","117.098","0.003","97.051","0.003","114.088","0.003","1571.1","0.6","100","2","100","2","","","","","","","","6","P -1","-P 1","2","","","","- C38 H29 F2 N2 O2 P2 -","- C38 H29 F2 N2 O2 P2 -","- C76 H58 F4 N4 O4 P4 -","2","1","","Basiouny, Miriam M. I.; Schmidt, Joseph A. R.","Lanthanum-Catalyzed Double Hydrophosphinylation of Nitriles","Organometallics","2017","36","3","721","","10.1021/acs.organomet.6b00919","","","0.71073","MoKα","","0.063","0.0455","","","0.1408","0.1538","","","","","","0.992","","","","has coordinates","193347","2020-10-21","18:00:00",""
"4087164","10.1189","0.00009","21.49866","0.00017","18.65685","0.00019","90","","103.925","0.001","90","","3939.38","0.06","150","0.1","150","0.1","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C44 H55 Al N4 -","- C44 H55 Al N4 -","- C176 H220 Al4 N16 -","4","1","","Anker, Mathew D.; Colebatch, Annie L.; Iversen, Kalon J.; Wilson, David J. D.; Dutton, Jason L.; García, Lucía; Hill, Michael S.; Liptrot, David J.; Mahon, Mary F.","Alane-Centered Ring Expansion of N-Heterocyclic Carbenes","Organometallics","2017","36","6","1173","","10.1021/acs.organomet.7b00056","","","1.54184","CuKα","","0.0524","0.0478","","","0.13","0.1354","","","","","","1.02","","","","has coordinates","194869","2020-10-21","18:00:00",""
"4087165","21.1542","0.0002","15.35141","0.00013","26.8601","0.0003","90","","102.81","0.001","90","","8505.62","0.15","150","0.1","150","0.1","","","","","","","","4","P 1 2/n 1","-P 2yac","13","","","","- C44 H55 Al N4 -","- C44 H55 Al N4 -","- C352 H440 Al8 N32 -","8","2","","Anker, Mathew D.; Colebatch, Annie L.; Iversen, Kalon J.; Wilson, David J. D.; Dutton, Jason L.; García, Lucía; Hill, Michael S.; Liptrot, David J.; Mahon, Mary F.","Alane-Centered Ring Expansion of N-Heterocyclic Carbenes","Organometallics","2017","36","6","1173","","10.1021/acs.organomet.7b00056","","","1.54184","CuKα","","0.0569","0.0459","","","0.1216","0.1287","","","","","","1.038","","","","has coordinates","254835","2020-10-21","18:00:00",""
"4087166","11.5751","0.0001","11.5751","0.0001","34.248","0.0005","90","","90","","90","","4588.65","0.09","173","2","173","2","","","","","","","","6","P 43","P 4cw","78","","","","- C53 H24 B F20 N Zr -","- C53 H24 B F20 N Zr -","- C212 H96 B4 F80 N4 Zr4 -","4","1","","Morgan, Matthew M.; Patrick, Evan A.; Rautiainen, J. Mikko; Tuononen, Heikki M.; Piers, Warren E.; Spasyuk, Denis M.","Zirconocene-Based Methods for the Preparation of BN-Indenes: Application to the Synthesis of 1,5-Dibora-4a,8a-diaza-1,2,3,5,6,7-hexaaryl-4,8-dimethyl-s-indacenes","Organometallics","2017","","","","","10.1021/acs.organomet.7b00051","","","1.54178","CuKα","","0.0343","0.0338","","","0.081","0.0814","","","","","","1.069","","","","has coordinates","194105","2020-10-21","18:00:00",""
"4087167","14.7014","0.0007","20.2371","0.0015","7.7474","0.0004","90","","104.29","0.004","90","","2233.6","0.2","173","2","173","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C29 H24 Cl N Zr -","- C29 H24 Cl N Zr -","- C116 H96 Cl4 N4 Zr4 -","4","1","","Morgan, Matthew M.; Patrick, Evan A.; Rautiainen, J. Mikko; Tuononen, Heikki M.; Piers, Warren E.; Spasyuk, Denis M.","Zirconocene-Based Methods for the Preparation of BN-Indenes: Application to the Synthesis of 1,5-Dibora-4a,8a-diaza-1,2,3,5,6,7-hexaaryl-4,8-dimethyl-s-indacenes","Organometallics","2017","","","","","10.1021/acs.organomet.7b00051","","","1.54178","CuKα","","0.0422","0.037","","","0.0937","0.0976","","","","","","1.014","","","","has coordinates","194105","2020-10-21","18:00:00",""
"4087168","7.5793","0.0005","20.7341","0.0011","12.3247","0.0005","90","","94.596","0.004","90","","1930.6","0.18","173","2","173","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C25 H19 B Cl N -","- C25 H19 B Cl N -","- C100 H76 B4 Cl4 N4 -","4","1","","Morgan, Matthew M.; Patrick, Evan A.; Rautiainen, J. Mikko; Tuononen, Heikki M.; Piers, Warren E.; Spasyuk, Denis M.","Zirconocene-Based Methods for the Preparation of BN-Indenes: Application to the Synthesis of 1,5-Dibora-4a,8a-diaza-1,2,3,5,6,7-hexaaryl-4,8-dimethyl-s-indacenes","Organometallics","2017","","","","","10.1021/acs.organomet.7b00051","","","1.54178","CuKα","","0.0671","0.0478","","","0.1164","0.1269","","","","","","1.053","","","","has coordinates","194105","2020-10-21","18:00:00",""
"4087169","10.09","0.0003","15.486","0.0004","18.2577","0.0005","75.063","0.002","80.627","0.002","89.752","0.002","2717.51","0.13","173","2","173","2","","","","","","","","7","P -1","-P 1","2","","","","- C54 H38 B2 F12 N4 O8 S4 -","- C54 H38 B2 F12 N4 O8 S4 -","- C108 H76 B4 F24 N8 O16 S8 -","2","1","","Morgan, Matthew M.; Patrick, Evan A.; Rautiainen, J. Mikko; Tuononen, Heikki M.; Piers, Warren E.; Spasyuk, Denis M.","Zirconocene-Based Methods for the Preparation of BN-Indenes: Application to the Synthesis of 1,5-Dibora-4a,8a-diaza-1,2,3,5,6,7-hexaaryl-4,8-dimethyl-s-indacenes","Organometallics","2017","","","","","10.1021/acs.organomet.7b00051","","","1.54178","CuKα","","0.1091","0.0812","","","0.2189","0.2509","","","","","","1.001","","","","has coordinates,has disorder","194105","2020-10-21","18:00:00",""
"4087170","19.31","0.02","17.619","0.014","24.71","0.02","90","","90","","90","","8407","13","173","2","173","2","","","","","","","","6","P b c a","-P 2ac 2ab","61","","","","- C57.33 H73.33 B1.33 K1.33 N4 O8 -","- C57.3333 H73.3333 B1.33333 K1.33333 N4 O8 -","- C344 H440 B8 K8 N24 O48 -","6","0.75","","Morgan, Matthew M.; Patrick, Evan A.; Rautiainen, J. Mikko; Tuononen, Heikki M.; Piers, Warren E.; Spasyuk, Denis M.","Zirconocene-Based Methods for the Preparation of BN-Indenes: Application to the Synthesis of 1,5-Dibora-4a,8a-diaza-1,2,3,5,6,7-hexaaryl-4,8-dimethyl-s-indacenes","Organometallics","2017","","","","","10.1021/acs.organomet.7b00051","","","1.54178","CuKα","","0.0786","0.0612","","","0.1614","0.1776","","","","","","1.027","","","","has coordinates","194105","2020-10-21","18:00:00",""
"4087171","12.6013","0.0002","14.2473","0.0002","15.7688","0.0002","63.993","0.001","86.318","0.001","80.98","0.001","2512.88","0.07","173","2","173","2","","","","","","","","7","P -1","-P 1","2","","","","- C106 H54 B2 Cl8 F40 N2 Zr2 -","- C106 H54 B2 Cl8 F40 N2 Zr2 -","- C106 H54 B2 Cl8 F40 N2 Zr2 -","1","0.5","","Morgan, Matthew M.; Patrick, Evan A.; Rautiainen, J. Mikko; Tuononen, Heikki M.; Piers, Warren E.; Spasyuk, Denis M.","Zirconocene-Based Methods for the Preparation of BN-Indenes: Application to the Synthesis of 1,5-Dibora-4a,8a-diaza-1,2,3,5,6,7-hexaaryl-4,8-dimethyl-s-indacenes","Organometallics","2017","","","","","10.1021/acs.organomet.7b00051","","","1.54178","CuKα","","0.0548","0.0416","","","0.1051","0.1147","","","","","","1.023","","","","has coordinates,has disorder","194105","2020-10-21","18:00:00",""
"4087172","14.4818","0.0003","14.8376","0.0003","15.0664","0.0005","112.965","0.001","113.358","0.001","100.989","0.001","2497.76","0.12","173","2","173","2","","","","","","","","5","P -1","-P 1","2","","","","- C46 H36 B2 Cl2 N2 -","- C46 H36 B2 Cl2 N2 -","- C92 H72 B4 Cl4 N4 -","2","1","","Morgan, Matthew M.; Patrick, Evan A.; Rautiainen, J. Mikko; Tuononen, Heikki M.; Piers, Warren E.; Spasyuk, Denis M.","Zirconocene-Based Methods for the Preparation of BN-Indenes: Application to the Synthesis of 1,5-Dibora-4a,8a-diaza-1,2,3,5,6,7-hexaaryl-4,8-dimethyl-s-indacenes","Organometallics","2017","","","","","10.1021/acs.organomet.7b00051","","","1.54178","CuKα","","0.0373","0.0345","","","0.0996","0.102","","","","","","1.067","","","","has coordinates","258458","2020-10-21","18:00:00",""
"4087173","6.22","0.0002","18.284","0.0004","16.287","0.0005","90","0.0015","96.712","0.0013","90","0.0015","1839.57","0.09","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C46 H36 B2 Cl2 N2 -","- C46 H36 B2 Cl2 N2 -","- C92 H72 B4 Cl4 N4 -","2","0.5","","Morgan, Matthew M.; Patrick, Evan A.; Rautiainen, J. Mikko; Tuononen, Heikki M.; Piers, Warren E.; Spasyuk, Denis M.","Zirconocene-Based Methods for the Preparation of BN-Indenes: Application to the Synthesis of 1,5-Dibora-4a,8a-diaza-1,2,3,5,6,7-hexaaryl-4,8-dimethyl-s-indacenes","Organometallics","2017","","","","","10.1021/acs.organomet.7b00051","","","0.71073","MoKα","","0.0747","0.0571","","","0.1554","0.1836","","","","","","1.217","","","","has coordinates","194105","2020-10-21","18:00:00",""
"4087174","10.806","0.0004","12.358","0.0003","21.034","0.0007","88.301","0.002","79.267","0.001","68.171","0.002","2559.46","0.15","153","2","153","2","","","","","","","","4","P -1","-P 1","2","","","","- C62 H68 B2 N2 -","- C62 H68 B2 N2 -","- C124 H136 B4 N4 -","2","1","","Morgan, Matthew M.; Patrick, Evan A.; Rautiainen, J. Mikko; Tuononen, Heikki M.; Piers, Warren E.; Spasyuk, Denis M.","Zirconocene-Based Methods for the Preparation of BN-Indenes: Application to the Synthesis of 1,5-Dibora-4a,8a-diaza-1,2,3,5,6,7-hexaaryl-4,8-dimethyl-s-indacenes","Organometallics","2017","","","","","10.1021/acs.organomet.7b00051","","","0.71073","MoKα","","0.1066","0.0714","","","0.1933","0.2449","","","","","","1.152","","","","has coordinates","258458","2020-10-21","18:00:00",""
"4087175","10.0513","0.0003","20.195","0.0006","17.8977","0.0005","90","","90.029","0.003","90","","3632.98","0.18","100.2","0.9","100.2","0.9","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C39 H63 N3 U -","- C39 H63 N3 U -","- C156 H252 N12 U4 -","4","1","","Zhang, Lei; Zhang, Congcong; Hou, Guohua; Zi, Guofu; Walter, Marc D.","Small-Molecule Activation Mediated by a Uranium Bipyridyl Metallocene","Organometallics","2017","","","","","10.1021/acs.organomet.7b00064","","x-ray","0.71073","MoKα","","0.0581","0.0363","","","0.057","0.0621","","","","","","1.027","","","","has coordinates","194171","2020-10-21","18:00:00",""
"4087176","11.7962","0.0003","16.9274","0.0005","36.1586","0.0012","90","","90","","90","","7220.1","0.4","100","0.2","100","0.2","","","","","","","","5","P b c n","-P 2n 2ab","60","","","","- C82 H104 N4 O4 U2 -","- C82 H104 N4 O4 U2 -","- C328 H416 N16 O16 U8 -","4","0.5","","Zhang, Lei; Zhang, Congcong; Hou, Guohua; Zi, Guofu; Walter, Marc D.","Small-Molecule Activation Mediated by a Uranium Bipyridyl Metallocene","Organometallics","2017","","","","","10.1021/acs.organomet.7b00064","","x-ray","0.71073","MoKα","","0.0968","0.0435","","","0.0635","0.0789","","","","","","1.023","","","","has coordinates","194171","2020-10-21","18:00:00",""
"4087177","10.55171","0.00009","14.42242","0.00014","18.30773","0.00016","90","","90.3949","0.0008","90","","2786.03","0.04","100.01","0.1","100.01","0.1","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C30 H38 I N2 U -","- C30 H38 I N2 U -","- C120 H152 I4 N8 U4 -","4","1","","Zhang, Lei; Zhang, Congcong; Hou, Guohua; Zi, Guofu; Walter, Marc D.","Small-Molecule Activation Mediated by a Uranium Bipyridyl Metallocene","Organometallics","2017","","","","","10.1021/acs.organomet.7b00064","","x-ray","1.54184","CuKα","","0.0305","0.0275","","","0.067","0.0692","","","","","","1.046","","","","has coordinates","194171","2020-10-21","18:00:00",""
"4087178","18.7455","0.0018","15.5711","0.0013","20.763","0.0019","90","","101.865","0.003","90","","5931","0.9","100","","100","","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C58 H73 B6 Br6 N -","- C58 H73 B6 Br6 N -","- C232 H292 B24 Br24 N4 -","4","2","","Axtell, Jonathan C.; Kirlikovali, Kent O.; Jung, Dahee; Dziedzic, Rafal M.; Rheingold, Arnold L.; Spokoyny, Alexander M.","Metal-Free Peralkylation of the closo-Hexaborate Anion","Organometallics","2017","36","6","1204","","10.1021/acs.organomet.7b00078","","","1.54178","CuKα","","0.038","0.0335","","","0.0787","0.0814","","","","","","1.054","","","","has coordinates","194872","2020-10-21","18:00:00",""
"4087179","9.7868","0.0003","32.1401","0.0008","18.1648","0.0006","90","","104.664","0.001","90","","5527.6","0.3","100","2","100","2","","","","","","","","7","P 1 21 1","P 2yb","4","","","","- C56 H72 B Li Ni O8 P2 -","- C56 H72 B Li Ni O8 P2 -","- C224 H288 B4 Li4 Ni4 O32 P8 -","4","2","","Jia, Xiaofei; Zhang, Mengru; Li, Maohua; Pan, Fan; Ding, Kuiling; Jia, Li; Crandall, Laura A.; Engle, James T.; Ziegler, Christopher J.","Zwitterionic Nickel(II) Catalysts for CO‒Ethylene Alternating Copolymerization","Organometallics","2017","36","6","1122","","10.1021/acs.organomet.6b00932","","","0.71073","MoKα","","0.036","0.0316","","","0.0704","0.0726","","","","","","1.043","","","","has coordinates","194873","2020-10-21","18:00:00",""
"4087180","31.6644","0.0009","17.4522","0.0004","19.9181","0.0007","90","","128.176","0.002","90","","8652.8","0.5","100","2","100","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C50 H49 B F6 Ni P2 -","- C50 H49 B F6 Ni P2 -","- C400 H392 B8 F48 Ni8 P16 -","8","1","","Jia, Xiaofei; Zhang, Mengru; Li, Maohua; Pan, Fan; Ding, Kuiling; Jia, Li; Crandall, Laura A.; Engle, James T.; Ziegler, Christopher J.","Zwitterionic Nickel(II) Catalysts for CO‒Ethylene Alternating Copolymerization","Organometallics","2017","36","6","1122","","10.1021/acs.organomet.6b00932","","","0.71073","MoKα","","0.0734","0.0632","","","0.1773","0.1892","","","","","","1.042","","","","has coordinates,has disorder","194873","2020-10-21","18:00:00",""
"4087181","18.5059","0.0006","18.4989","0.0006","38.0938","0.0012","90","","90.809","0.002","90","","13039.7","0.7","100","2","100","2","","","","","","","","7","P 1 2/c 1","-P 2yc","13","","","","- C128 H104 B2 Br2 F48 Ni2 P4 -","- C128 H104 B2 Br2 F48 Ni2 P4 -","- C512 H416 B8 Br8 F192 Ni8 P16 -","4","1","","Jia, Xiaofei; Zhang, Mengru; Li, Maohua; Pan, Fan; Ding, Kuiling; Jia, Li; Crandall, Laura A.; Engle, James T.; Ziegler, Christopher J.","Zwitterionic Nickel(II) Catalysts for CO‒Ethylene Alternating Copolymerization","Organometallics","2017","36","6","1122","","10.1021/acs.organomet.6b00932","","","1.54178","CuKα","","0.0731","0.0536","","","0.1375","0.1519","","","","","","1.029","","","","has coordinates,has disorder","194873","2020-10-21","18:00:00",""
"4087182","26.6882","0.0019","22.5195","0.0016","30.2864","0.0019","90","","103.092","0.004","90","","17729","2","100","2","100","2","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C86 H74 B2 Cl6 F12 Ni P4 -","- C86 H74 B2 Cl6 F12 Ni P4 -","- C688 H592 B16 Cl48 F96 Ni8 P32 -","8","2","","Jia, Xiaofei; Zhang, Mengru; Li, Maohua; Pan, Fan; Ding, Kuiling; Jia, Li; Crandall, Laura A.; Engle, James T.; Ziegler, Christopher J.","Zwitterionic Nickel(II) Catalysts for CO‒Ethylene Alternating Copolymerization","Organometallics","2017","36","6","1122","","10.1021/acs.organomet.6b00932","","","1.54178","CuKα","","0.1234","0.1067","","","0.3274","0.3541","","","","","","1.485","","","","has coordinates,has disorder","194873","2020-10-21","18:00:00",""
"4087183","11.9569","0.0009","14.19","0.0009","16.1234","0.0017","103.526","0.006","94.288","0.006","113.247","0.004","2400.7","0.4","100","2","100","2","","","","","","","","9","P -1","-P 1","2","","","","- C50 H52 B Cl2 F6 Li Ni O2 P2 -","- C50 H52 B Cl2 F6 Li Ni O2 P2 -","- C100 H104 B2 Cl4 F12 Li2 Ni2 O4 P4 -","2","1","","Jia, Xiaofei; Zhang, Mengru; Li, Maohua; Pan, Fan; Ding, Kuiling; Jia, Li; Crandall, Laura A.; Engle, James T.; Ziegler, Christopher J.","Zwitterionic Nickel(II) Catalysts for CO‒Ethylene Alternating Copolymerization","Organometallics","2017","36","6","1122","","10.1021/acs.organomet.6b00932","","","1.54178","CuKα","","0.0964","0.0635","","","0.2001","0.2428","","","","","","1.027","","","","has coordinates","194873","2020-10-21","18:00:00",""
"4087184","11.4848","0.0004","14.0729","0.0005","23.3388","0.0009","90","","90","","90","","3772.1","0.2","170","2","170","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C39 H44 Br2 Cl2 N2 Ni -","- C39 H44 Br2 Cl2 N2 Ni -","- C156 H176 Br8 Cl8 N8 Ni4 -","4","1","","Zhu, Liang; Zang, Dandan; Wang, Yi; Guo, Yintian; Jiang, Baiyu; He, Feng; Fu, Zhisheng; Fan, Zhiqiang; Hickner, Michael A.; Liu, Zi-Kui; Chen, Long-Qing","Insight into the Mechanism of Thermal Stability of α-Diimine Nickel Complex in Catalyzing Ethylene Polymerization","Organometallics","2017","36","6","1196","","10.1021/acs.organomet.7b00066","","","0.71073","MoKα","","0.0412","0.033","","","0.0702","0.0739","","","","","","1.035","","","","has coordinates","194871","2020-10-21","18:00:00",""
"4087185","10.5063","0.0007","30.1519","0.0019","11.0875","0.0007","90","","114.522","0.001","90","","3195.5","0.4","100","2","100","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C30 H46 N6 P2 Pt -","- C30 H46 N6 P2 Pt -","- C120 H184 N24 P8 Pt4 -","4","1","","Yang, Xi; VenkatRamani, Sudarsan; Beto, Christopher C.; Del Castillo, Trevor J.; Ghiviriga, Ion; Abboud, Khalil A.; Veige, Adam S.","Single versus Double Cu(I) Catalyzed [3 + 2] Azide/Platinum Diacetylide Cycloaddition Reactions","Organometallics","2017","36","7","1352","","10.1021/acs.organomet.7b00067","","","0.71073","MoKα","","0.0267","0.0227","","","0.0407","0.0415","","","","","","1.223","","","","has coordinates","196167","2020-10-21","18:00:00",""
"4087186","19.34","0.002","28.497","0.003","19.81","0.002","90","","90.0365","0.0019","90","","10918","2","100","2","100","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C121.85 H99.5 Cl7.25 N6 P4 Pt2 -","- C121.85 H99.5 Cl7.25 N6 P4 Pt2 -","- C487.4 H398 Cl29 N24 P16 Pt8 -","4","1","","Yang, Xi; VenkatRamani, Sudarsan; Beto, Christopher C.; Del Castillo, Trevor J.; Ghiviriga, Ion; Abboud, Khalil A.; Veige, Adam S.","Single versus Double Cu(I) Catalyzed [3 + 2] Azide/Platinum Diacetylide Cycloaddition Reactions","Organometallics","2017","36","7","1352","","10.1021/acs.organomet.7b00067","","","0.71073","MoKα","","0.0687","0.0446","","","0.1096","0.134","","","","","","1.128","","","","has coordinates,has disorder","196167","2020-10-21","18:00:00",""
"4087187","7.505","0.0015","8.0571","0.0016","9.044","0.0018","101.39","0.03","102.75","0.03","117.48","0.03","444","0.3","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","","","- C7 H8 Au Br N2 -","- C7 H8 Au Br N2 -","- C14 H16 Au2 Br2 N4 -","2","1","","Johnson, Alice; Gimeno, M. Concepción","Synthesis of Propargyl-Functionalized NHC Gold Complexes","Organometallics","2017","36","7","1278","","10.1021/acs.organomet.7b00012","","","0.71073","MoKα","","0.0191","0.0184","","","0.0461","0.0464","","","","","","1.109","","","","has coordinates","196166","2020-10-21","18:00:00",""
"4087188","9.71027","0.00013","14.9158","0.0002","12.32441","0.00017","90","","99.1103","0.0013","90","","1762.51","0.04","100","2","100","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C18 H16 Au Br N4 -","- C18 H16 Au Br N4 -","- C72 H64 Au4 Br4 N16 -","4","1","","Johnson, Alice; Gimeno, M. Concepción","Synthesis of Propargyl-Functionalized NHC Gold Complexes","Organometallics","2017","36","7","1278","","10.1021/acs.organomet.7b00012","","","0.71073","MoKα","","0.0629","0.0593","","","0.1596","0.1623","","","","","","1.089","","","","has coordinates","196166","2020-10-21","18:00:00",""
"4087189","7.2203","0.0014","8.3853","0.0017","11.923","0.002","94.06","0.03","103.82","0.03","91.61","0.03","698.5","0.2","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","","","- C15 H8 Au F5 N2 -","- C15 H8 Au F5 N2 -","- C30 H16 Au2 F10 N4 -","2","1","","Johnson, Alice; Gimeno, M. Concepción","Synthesis of Propargyl-Functionalized NHC Gold Complexes","Organometallics","2017","36","7","1278","","10.1021/acs.organomet.7b00012","","","0.71073","MoKα","","0.0273","0.0247","","","0.0588","0.0602","","","","","","1.061","","","","has coordinates","196166","2020-10-21","18:00:00",""
"4087190","7.6029","0.00013","16.2603","0.0002","16.9482","0.0002","90","","92.9488","0.0013","90","","2092.45","0.05","100","2","100","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C9 H8 Au Br N2 -","- C9 H8 Au Br N2 -","- C72 H64 Au8 Br8 N16 -","8","2","","Johnson, Alice; Gimeno, M. Concepción","Synthesis of Propargyl-Functionalized NHC Gold Complexes","Organometallics","2017","36","7","1278","","10.1021/acs.organomet.7b00012","","","0.71073","MoKα","","0.0231","0.0191","","","0.0419","0.0433","","","","","","1.063","","","","has coordinates","196166","2020-10-21","18:00:00",""
"4087191","11.7585","0.001","12.4165","0.001","15.0414","0.0012","87.564","0.002","75.702","0.002","77.918","0.002","2080.8","0.3","173","2","173","2","","","","","","","","6","P -1","-P 1","2","","","","- C41 H51 Cl3 N Ni P -","- C41 H51 Cl3 N Ni P -","- C82 H102 Cl6 N2 Ni2 P2 -","2","1","","Henrion, Mickaël; de P. Cardoso, Bernardo; César, Vincent; Chetcuti, Michael J.; Ritleng, Vincent","Nickel(II) Complexes of Highly σ-Donating Cyclic (Alkyl)(Amino)- and Malonate-Carbenes: Syntheses and Catalytic Studies","Organometallics","2017","36","6","1113","","10.1021/acs.organomet.6b00906","","","0.71073","MoKα","","0.0582","0.0418","","","0.1124","0.1191","","","","","","1.081","","","","has coordinates","194656","2020-10-21","18:00:00",""
"4087192","16.6645","0.0011","16.9683","0.0011","20.0404","0.0014","90","","90","","90","","5666.8","0.7","173","2","173","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C33 H38 N4 Ni O2 -","- C33 H38 N4 Ni O2 -","- C264 H304 N32 Ni8 O16 -","8","1","","Henrion, Mickaël; de P. Cardoso, Bernardo; César, Vincent; Chetcuti, Michael J.; Ritleng, Vincent","Nickel(II) Complexes of Highly σ-Donating Cyclic (Alkyl)(Amino)- and Malonate-Carbenes: Syntheses and Catalytic Studies","Organometallics","2017","36","6","1113","","10.1021/acs.organomet.6b00906","","","0.71073","MoKα","","0.0938","0.0406","","","0.0842","0.1006","","","","","","0.999","","","","has coordinates","194656","2020-10-21","18:00:00",""
"4087193","13.48","0.003","7.92","0.0016","29.4","0.006","90","","90","","90","","3138.8","1.1","100","2","100","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C13 H19 Cl2 N3 Pd -","- C13 H19 Cl2 N3 Pd -","- C104 H152 Cl16 N24 Pd8 -","8","1","","Astakhov, Alexander V.; Khazipov, Oleg V.; Chernenko, Andrey Yu.; Pasyukov, Dmitry V.; Kashin, Alexey S.; Gordeev, Evgeniy G.; Khrustalev, Victor N.; Chernyshev, Victor M.; Ananikov, Valentine P.","A New Mode of Operation of Pd-NHC Systems Studied in a Catalytic Mizoroki‒Heck Reaction","Organometallics","2017","36","10","1981","","10.1021/acs.organomet.7b00184","","","0.9699","synchrotron","","0.0834","0.0674","","","0.1442","0.1565","","","","","","1.004","","","","has coordinates","197473","2020-10-21","18:00:00",""
"4087194","8.141","0.0016","12.504","0.003","17.364","0.004","90","","93.98","0.03","90","","1763.3","0.7","100","2","100","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C14 H15 I2 N3 Pd -","- C14 H15 I2 N3 Pd -","- C56 H60 I8 N12 Pd4 -","4","1","","Astakhov, Alexander V.; Khazipov, Oleg V.; Chernenko, Andrey Yu.; Pasyukov, Dmitry V.; Kashin, Alexey S.; Gordeev, Evgeniy G.; Khrustalev, Victor N.; Chernyshev, Victor M.; Ananikov, Valentine P.","A New Mode of Operation of Pd-NHC Systems Studied in a Catalytic Mizoroki‒Heck Reaction","Organometallics","2017","36","10","1981","","10.1021/acs.organomet.7b00184","","","0.9699","synchrotron","","0.0364","0.0323","","","0.0764","0.0782","","","","","","1.059","","","","has coordinates","197473","2020-10-21","18:00:00",""
"4087195","8.7572","0.0002","11.2788","0.0002","14.4078","0.0003","79.929","0.001","72.622","0.001","76.128","0.001","1310.29","0.05","100","","100","","","","","","","","","5","P -1","-P 1","2","","","","- C33 H29 O P Te -","- C33 H29 O P Te -","- C66 H58 O2 P2 Te2 -","2","1","","Hupf, Emanuel; Do, Truong Giang; Nordheider, Andreas; Wehrhahn, Maren; Sanz Camacho, Paula; Ashbrook, Sharon E.; Lork, Enno; Slawin, Alexandra M. Z.; Mebs, Stefan; Woollins, J. Derek; Beckmann, Jens","Selective Oxidation and Functionalization of 6-Diphenylphosphinoacenaphthyl-5-tellurenyl Species 6-Ph2P-Ace-5-TeX (X = Mes, Cl, O3SCF3). Various Types of P‒E···Te(II,IV) Bonding Situations (E = O, S, Se)","Organometallics","2017","","","","","10.1021/acs.organomet.7b00133","","","0.71073","MoKα","","0.0354","0.026","","","0.0523","0.0548","","","","","","1.055","","","","has coordinates","195265","2020-10-21","18:00:00",""
"4087196","11.6168","0.0006","10.0455","0.0005","17.5282","0.0009","90","","93.881","0.002","90","","2040.79","0.18","100","","100","","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C24 H18 Cl O P Te -","- C24 H18 Cl O P Te -","- C96 H72 Cl4 O4 P4 Te4 -","4","1","","Hupf, Emanuel; Do, Truong Giang; Nordheider, Andreas; Wehrhahn, Maren; Sanz Camacho, Paula; Ashbrook, Sharon E.; Lork, Enno; Slawin, Alexandra M. Z.; Mebs, Stefan; Woollins, J. Derek; Beckmann, Jens","Selective Oxidation and Functionalization of 6-Diphenylphosphinoacenaphthyl-5-tellurenyl Species 6-Ph2P-Ace-5-TeX (X = Mes, Cl, O3SCF3). Various Types of P‒E···Te(II,IV) Bonding Situations (E = O, S, Se)","Organometallics","2017","","","","","10.1021/acs.organomet.7b00133","","","0.71073","MoKα","","0.043","0.0333","","","0.0713","0.0759","","","","","","1.157","","","","has coordinates","195265","2020-10-21","18:00:00",""
"4087197","8.247","0.0002","11.2205","0.0003","13.1314","0.0003","82.465","0.001","85.823","0.001","80.781","0.001","1187.4","0.05","100","","100","","","","","","","","","6","P -1","-P 1","2","","","","- C27 H25 Cl P S Te -","- C27 H25 Cl P S Te -","- C54 H50 Cl2 P2 S2 Te2 -","2","1","","Hupf, Emanuel; Do, Truong Giang; Nordheider, Andreas; Wehrhahn, Maren; Sanz Camacho, Paula; Ashbrook, Sharon E.; Lork, Enno; Slawin, Alexandra M. Z.; Mebs, Stefan; Woollins, J. Derek; Beckmann, Jens","Selective Oxidation and Functionalization of 6-Diphenylphosphinoacenaphthyl-5-tellurenyl Species 6-Ph2P-Ace-5-TeX (X = Mes, Cl, O3SCF3). Various Types of P‒E···Te(II,IV) Bonding Situations (E = O, S, Se)","Organometallics","2017","","","","","10.1021/acs.organomet.7b00133","","","0.71073","MoKα","","0.0238","0.0211","","","0.052","0.0531","","","","","","1.091","","","","has coordinates","195265","2020-10-21","18:00:00",""
"4087198","9.6579","0.0003","15.1202","0.0004","14.932","0.0004","90","","104.285","0.001","90","","2113.09","0.1","100","","100","","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C24 H18 Cl P Se Te -","- C24 H18 Cl P Se Te -","- C96 H72 Cl4 P4 Se4 Te4 -","4","1","","Hupf, Emanuel; Do, Truong Giang; Nordheider, Andreas; Wehrhahn, Maren; Sanz Camacho, Paula; Ashbrook, Sharon E.; Lork, Enno; Slawin, Alexandra M. Z.; Mebs, Stefan; Woollins, J. Derek; Beckmann, Jens","Selective Oxidation and Functionalization of 6-Diphenylphosphinoacenaphthyl-5-tellurenyl Species 6-Ph2P-Ace-5-TeX (X = Mes, Cl, O3SCF3). Various Types of P‒E···Te(II,IV) Bonding Situations (E = O, S, Se)","Organometallics","2017","","","","","10.1021/acs.organomet.7b00133","","","0.71073","MoKα","","0.051","0.0386","","","0.1021","0.1074","","","","","","1.109","","","","has coordinates,has disorder","195265","2020-10-21","18:00:00",""
"4087199","13.7011","0.0004","14.8695","0.0004","15.7854","0.0005","99.809","0.002","110.93","0.002","106.55","0.002","2743.09","0.16","100","","100","","","","","","","","","7","P -1","-P 1","2","","","","- C50 H36 F6 O10 P2 S2 Te2 -","- C50 H36 F6 O10 P2 S2 Te2 -","- C100 H72 F12 O20 P4 S4 Te4 -","2","1","","Hupf, Emanuel; Do, Truong Giang; Nordheider, Andreas; Wehrhahn, Maren; Sanz Camacho, Paula; Ashbrook, Sharon E.; Lork, Enno; Slawin, Alexandra M. Z.; Mebs, Stefan; Woollins, J. Derek; Beckmann, Jens","Selective Oxidation and Functionalization of 6-Diphenylphosphinoacenaphthyl-5-tellurenyl Species 6-Ph2P-Ace-5-TeX (X = Mes, Cl, O3SCF3). Various Types of P‒E···Te(II,IV) Bonding Situations (E = O, S, Se)","Organometallics","2017","","","","","10.1021/acs.organomet.7b00133","","","0.71073","MoKα","","0.0932","0.0587","","","0.1389","0.152","","","","","","1.053","","","","has coordinates,has disorder","195265","2020-10-21","18:00:00",""
"4087200","9.4121","0.0006","12.0423","0.0008","32.192","0.002","90","","97.159","0.002","90","","3620.3","0.4","100","","100","","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C33 H29 Cl2 O P Te -","- C33 H29 Cl2 O P Te -","- C132 H116 Cl8 O4 P4 Te4 -","4","1","","Hupf, Emanuel; Do, Truong Giang; Nordheider, Andreas; Wehrhahn, Maren; Sanz Camacho, Paula; Ashbrook, Sharon E.; Lork, Enno; Slawin, Alexandra M. Z.; Mebs, Stefan; Woollins, J. Derek; Beckmann, Jens","Selective Oxidation and Functionalization of 6-Diphenylphosphinoacenaphthyl-5-tellurenyl Species 6-Ph2P-Ace-5-TeX (X = Mes, Cl, O3SCF3). Various Types of P‒E···Te(II,IV) Bonding Situations (E = O, S, Se)","Organometallics","2017","","","","","10.1021/acs.organomet.7b00133","","","0.71073","MoKα","","0.1302","0.0749","","","0.1784","0.1927","","","","","","1.059","","","","has coordinates","195265","2020-10-21","18:00:00",""
"4087201","11.6319","0.0003","17.1307","0.0005","18.1467","0.0005","90","","108.094","0.002","90","","3437.14","0.17","100","","100","","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C35 H32 Br4 N O P Te -","- C35 H32 Br4 N O P Te -","- C140 H128 Br16 N4 O4 P4 Te4 -","4","1","","Hupf, Emanuel; Do, Truong Giang; Nordheider, Andreas; Wehrhahn, Maren; Sanz Camacho, Paula; Ashbrook, Sharon E.; Lork, Enno; Slawin, Alexandra M. Z.; Mebs, Stefan; Woollins, J. Derek; Beckmann, Jens","Selective Oxidation and Functionalization of 6-Diphenylphosphinoacenaphthyl-5-tellurenyl Species 6-Ph2P-Ace-5-TeX (X = Mes, Cl, O3SCF3). Various Types of P‒E···Te(II,IV) Bonding Situations (E = O, S, Se)","Organometallics","2017","","","","","10.1021/acs.organomet.7b00133","","","0.71073","MoKα","","0.0236","0.0189","","","0.0578","0.0617","","","","","","1.207","","","","has coordinates","195265","2020-10-21","18:00:00",""
"4087202","10.9986","0.0002","18.2471","0.0004","18.4685","0.0004","90","","104.559","0.001","90","","3587.47","0.13","100","","100","","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C33 H29 I5 O P Te -","- C33 H29 I5 O P Te -","- C132 H116 I20 O4 P4 Te4 -","4","1","","Hupf, Emanuel; Do, Truong Giang; Nordheider, Andreas; Wehrhahn, Maren; Sanz Camacho, Paula; Ashbrook, Sharon E.; Lork, Enno; Slawin, Alexandra M. Z.; Mebs, Stefan; Woollins, J. Derek; Beckmann, Jens","Selective Oxidation and Functionalization of 6-Diphenylphosphinoacenaphthyl-5-tellurenyl Species 6-Ph2P-Ace-5-TeX (X = Mes, Cl, O3SCF3). Various Types of P‒E···Te(II,IV) Bonding Situations (E = O, S, Se)","Organometallics","2017","","","","","10.1021/acs.organomet.7b00133","","","0.71073","MoKα","","0.0257","0.018","","","0.0325","0.034","","","","","","1.091","","","","has coordinates","195265","2020-10-21","18:00:00",""
"4087203","9.2866","0.0003","9.5461","0.0004","14.5827","0.0005","96.029","0.001","98.025","0.001","117.728","0.001","1111.6","0.07","100","","100","","","","","","","","","6","P -1","-P 1","2","","","","- C24 H18 Cl3 O P Te -","- C24 H18 Cl3 O P Te -","- C48 H36 Cl6 O2 P2 Te2 -","2","1","","Hupf, Emanuel; Do, Truong Giang; Nordheider, Andreas; Wehrhahn, Maren; Sanz Camacho, Paula; Ashbrook, Sharon E.; Lork, Enno; Slawin, Alexandra M. Z.; Mebs, Stefan; Woollins, J. Derek; Beckmann, Jens","Selective Oxidation and Functionalization of 6-Diphenylphosphinoacenaphthyl-5-tellurenyl Species 6-Ph2P-Ace-5-TeX (X = Mes, Cl, O3SCF3). Various Types of P‒E···Te(II,IV) Bonding Situations (E = O, S, Se)","Organometallics","2017","","","","","10.1021/acs.organomet.7b00133","","","0.71073","MoKα","","0.0366","0.0275","","","0.0599","0.0639","","","","","","1.078","","","","has coordinates","195265","2020-10-21","18:00:00",""
"4087204","9.5112","0.0003","9.6006","0.0003","14.5901","0.0005","95.366","0.001","99.058","0.001","116.802","0.001","1153.68","0.07","100","","100","","","","","","","","","6","P -1","-P 1","2","","","","- C24 H18 Br3 O P Te -","- C24 H18 Br3 O P Te -","- C48 H36 Br6 O2 P2 Te2 -","2","1","","Hupf, Emanuel; Do, Truong Giang; Nordheider, Andreas; Wehrhahn, Maren; Sanz Camacho, Paula; Ashbrook, Sharon E.; Lork, Enno; Slawin, Alexandra M. Z.; Mebs, Stefan; Woollins, J. Derek; Beckmann, Jens","Selective Oxidation and Functionalization of 6-Diphenylphosphinoacenaphthyl-5-tellurenyl Species 6-Ph2P-Ace-5-TeX (X = Mes, Cl, O3SCF3). Various Types of P‒E···Te(II,IV) Bonding Situations (E = O, S, Se)","Organometallics","2017","","","","","10.1021/acs.organomet.7b00133","","","0.71073","MoKα","","0.0262","0.0225","","","0.0542","0.056","","","","","","0.943","","","","has coordinates","195265","2020-10-21","18:00:00",""
"4087205","13.5535","0.0004","12.2415","0.0003","14.8388","0.0004","90","","93.301","0.001","90","","2457.9","0.12","100","","100","","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C24 H18 I3 O P Te -","- C24 H18 I3 O P Te -","- C96 H72 I12 O4 P4 Te4 -","4","1","","Hupf, Emanuel; Do, Truong Giang; Nordheider, Andreas; Wehrhahn, Maren; Sanz Camacho, Paula; Ashbrook, Sharon E.; Lork, Enno; Slawin, Alexandra M. Z.; Mebs, Stefan; Woollins, J. Derek; Beckmann, Jens","Selective Oxidation and Functionalization of 6-Diphenylphosphinoacenaphthyl-5-tellurenyl Species 6-Ph2P-Ace-5-TeX (X = Mes, Cl, O3SCF3). Various Types of P‒E···Te(II,IV) Bonding Situations (E = O, S, Se)","Organometallics","2017","","","","","10.1021/acs.organomet.7b00133","","","0.71073","MoKα","","0.0185","0.0152","","","0.0326","0.0336","","","","","","1.093","","","","has coordinates","195265","2020-10-21","18:00:00",""
"4087206","9.2187","0.0012","11.8772","0.0013","18.454","0.002","90","","90","","90","","2020.6","0.4","173","","173","","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C18 H22 Cl3 O P Te -","- C18 H22 Cl3 O P Te -","- C72 H88 Cl12 O4 P4 Te4 -","4","1","","Hupf, Emanuel; Do, Truong Giang; Nordheider, Andreas; Wehrhahn, Maren; Sanz Camacho, Paula; Ashbrook, Sharon E.; Lork, Enno; Slawin, Alexandra M. Z.; Mebs, Stefan; Woollins, J. Derek; Beckmann, Jens","Selective Oxidation and Functionalization of 6-Diphenylphosphinoacenaphthyl-5-tellurenyl Species 6-Ph2P-Ace-5-TeX (X = Mes, Cl, O3SCF3). Various Types of P‒E···Te(II,IV) Bonding Situations (E = O, S, Se)","Organometallics","2017","","","","","10.1021/acs.organomet.7b00133","","","0.71075","MoKα","","0.0491","0.044","","","0.1156","0.1236","","","","","","1.128","","","","has coordinates","195265","2020-10-21","18:00:00",""
"4087207","14.7592","0.0005","32.0367","0.001","11.2598","0.0004","90","","91.4175","0.0012","90","","5322.4","0.3","100","","100","","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","AS-2","","- C29 H26 N O5 P W -","- C29 H26 N O5 P W -","- C232 H208 N8 O40 P8 W8 -","8","2","","Streubel, Rainer; Schmer, Alexander; Kyri, Andreas W.; Schnakenburg, Gregor","1,1′-Bifunctional Aminophosphane Complexes via N‒H Bond Insertions of a Li/Cl Phosphinidenoid Complex and First Studies on N/P Mono Functionalizations","Organometallics","2017","","","","","10.1021/acs.organomet.7b00073","","","0.71073","MoKα","","0.0284","0.0246","","","0.0497","0.0508","","","","","","1.176","","","","has coordinates,has disorder","195333","2020-10-21","18:00:00",""
"4087208","31.6772","0.0009","11.5478","0.0003","13.5495","0.0004","90","","99.2472","0.0009","90","","4892","0.2","100","","100","","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","AS-3","","- C26 H22 N O5 P W -","- C26 H22 N O5 P W -","- C208 H176 N8 O40 P8 W8 -","8","1","","Streubel, Rainer; Schmer, Alexander; Kyri, Andreas W.; Schnakenburg, Gregor","1,1′-Bifunctional Aminophosphane Complexes via N‒H Bond Insertions of a Li/Cl Phosphinidenoid Complex and First Studies on N/P Mono Functionalizations","Organometallics","2017","","","","","10.1021/acs.organomet.7b00073","","x-ray","0.71073","MoKα","","0.0157","0.0149","","","0.0367","0.037","","","","","","1.141","","","","has coordinates","195333","2020-10-21","18:00:00",""
"4087209","10.419","0.004","10.508","0.005","16.971","0.008","84.29","0.02","78.87","0.02","64.441","0.019","1644.4","1.3","100","","99.99","","","","","","","","","6","P -1","-P 1","2","","AS-6","","- C38 H30 N O5 P W -","- C38 H30 N O5 P W -","- C76 H60 N2 O10 P2 W2 -","2","1","","Streubel, Rainer; Schmer, Alexander; Kyri, Andreas W.; Schnakenburg, Gregor","1,1′-Bifunctional Aminophosphane Complexes via N‒H Bond Insertions of a Li/Cl Phosphinidenoid Complex and First Studies on N/P Mono Functionalizations","Organometallics","2017","","","","","10.1021/acs.organomet.7b00073","","x-ray","0.71073","MoKα","","0.0264","0.0214","","","0.044","0.0455","","","","","","1.048","","","","has coordinates","195333","2020-10-21","18:00:00",""
"4087210","11.1776","0.0004","11.1777","0.0004","19.2814","0.0007","90","","95.4332","0.0013","90","","2398.19","0.15","100","","100","","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","AS-7","","- C26 H22 N O5 P W -","- C26 H22 N O5 P W -","- C104 H88 N4 O20 P4 W4 -","4","1","","Streubel, Rainer; Schmer, Alexander; Kyri, Andreas W.; Schnakenburg, Gregor","1,1′-Bifunctional Aminophosphane Complexes via N‒H Bond Insertions of a Li/Cl Phosphinidenoid Complex and First Studies on N/P Mono Functionalizations","Organometallics","2017","","","","","10.1021/acs.organomet.7b00073","","x-ray","0.71073","MoKα","","0.0203","0.018","","","0.0444","0.046","","","","","","1.078","","","","has coordinates","195333","2020-10-21","18:00:00",""
"4087211","10.0227","0.0004","10.6252","0.0004","13.176","0.0005","76.5244","0.0014","75.7674","0.0014","75.8317","0.0013","1296.22","0.09","100","","99.99","","","","","","","","","6","P -1","-P 1","2","","AS-9","","- C28 H24 N O5 P W -","- C28 H24 N O5 P W -","- C56 H48 N2 O10 P2 W2 -","2","1","","Streubel, Rainer; Schmer, Alexander; Kyri, Andreas W.; Schnakenburg, Gregor","1,1′-Bifunctional Aminophosphane Complexes via N‒H Bond Insertions of a Li/Cl Phosphinidenoid Complex and First Studies on N/P Mono Functionalizations","Organometallics","2017","","","","","10.1021/acs.organomet.7b00073","","x-ray","0.71073","MoKα","","0.0175","0.0158","","","0.0378","0.0385","","","","","","1.087","","","","has coordinates","195333","2020-10-21","18:00:00",""
"4087212","10.9081","0.0007","11.6721","0.0007","19.6053","0.0013","90","","96.509","0.002","90","","2480.1","0.3","123","","123","","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","AS-24","","- C27 H22 N O5 P W -","- C27 H22 N O5 P W -","- C108 H88 N4 O20 P4 W4 -","4","1","","Streubel, Rainer; Schmer, Alexander; Kyri, Andreas W.; Schnakenburg, Gregor","1,1′-Bifunctional Aminophosphane Complexes via N‒H Bond Insertions of a Li/Cl Phosphinidenoid Complex and First Studies on N/P Mono Functionalizations","Organometallics","2017","","","","","10.1021/acs.organomet.7b00073","","x-ray","0.71073","MoKα","","0.0257","0.0188","","","0.0388","0.0408","","","","","","1.053","","","","has coordinates","195333","2020-10-21","18:00:00",""
"4087213","10.5144","0.0006","15.2601","0.001","16.9086","0.0011","105.035","0.002","102.792","0.002","91.822","0.002","2543.6","0.3","123","","123","","","","","","","","","6","P -1","-P 1","2","","AS-31","","- C27 H24 N O5 P W -","- C27 H24 N O5 P W -","- C108 H96 N4 O20 P4 W4 -","4","2","","Streubel, Rainer; Schmer, Alexander; Kyri, Andreas W.; Schnakenburg, Gregor","1,1′-Bifunctional Aminophosphane Complexes via N‒H Bond Insertions of a Li/Cl Phosphinidenoid Complex and First Studies on N/P Mono Functionalizations","Organometallics","2017","","","","","10.1021/acs.organomet.7b00073","","x-ray","0.71073","MoKα","","0.0249","0.0182","","","0.0385","0.0416","","","","","","1.099","","","","has coordinates","195333","2020-10-21","18:00:00",""
"4087214","7.2639","0.0009","16.75","0.002","18.608","0.002","90","","98.941","0.004","90","","2236.5","0.5","100","","100","","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","AS-51","","- C24 H18 N O5 P W -","- C24 H18 N O5 P W -","- C96 H72 N4 O20 P4 W4 -","4","1","","Streubel, Rainer; Schmer, Alexander; Kyri, Andreas W.; Schnakenburg, Gregor","1,1′-Bifunctional Aminophosphane Complexes via N‒H Bond Insertions of a Li/Cl Phosphinidenoid Complex and First Studies on N/P Mono Functionalizations","Organometallics","2017","","","","","10.1021/acs.organomet.7b00073","","","0.71073","MoKα","","0.0306","0.025","","","0.0614","0.0637","","","","","","1.029","","","","has coordinates","195333","2020-10-21","18:00:00",""
"4087215","13.3276","0.0015","19.649","0.002","18.692","0.002","90","","107.734","0.004","90","","4662.3","0.9","100","","100","","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C50 H46 N O6 P W -","- C46 H36 N O5 P W -","- C184 H144 N4 O20 P4 W4 -","4","1","","Streubel, Rainer; Schmer, Alexander; Kyri, Andreas W.; Schnakenburg, Gregor","1,1′-Bifunctional Aminophosphane Complexes via N‒H Bond Insertions of a Li/Cl Phosphinidenoid Complex and First Studies on N/P Mono Functionalizations","Organometallics","2017","","","","","10.1021/acs.organomet.7b00073","","","0.71073","MoKα","","0.1077","0.0659","","","0.1372","0.1631","","","","","","1.101","","","","has coordinates,has disorder","195333","2020-10-21","18:00:00",""
"4087216","9.6127","0.0004","10.5143","0.0004","11.6185","0.0005","90.087","0.002","97.409","0.001","94.466","0.001","1160.87","0.08","123","2","123","2","","","","","","","","6","P -1","-P 1","2","","AKY-602","","- C24 H16 Cl O5 P W -","- C24 H16 Cl O5 P W -","- C48 H32 Cl2 O10 P2 W2 -","2","1","","Streubel, Rainer; Schmer, Alexander; Kyri, Andreas W.; Schnakenburg, Gregor","1,1′-Bifunctional Aminophosphane Complexes via N‒H Bond Insertions of a Li/Cl Phosphinidenoid Complex and First Studies on N/P Mono Functionalizations","Organometallics","2017","","","","","10.1021/acs.organomet.7b00073","","","0.71073","MoKα","","0.0294","0.0259","","","0.0692","0.0714","","","","","","1.048","","","","has coordinates","195333","2020-10-21","18:00:00",""
"4087217","10.7367","0.0007","15.677","0.001","17.4538","0.001","104.204","0.003","98.484","0.003","104.184","0.003","2692.9","0.3","100","","100","","","","","","","","","6","P -1","-P 1","2","","","","- C28 H26 N O5 P W -","- C28 H26 N O5 P W -","- C112 H104 N4 O20 P4 W4 -","4","2","","Streubel, Rainer; Schmer, Alexander; Kyri, Andreas W.; Schnakenburg, Gregor","1,1′-Bifunctional Aminophosphane Complexes via N‒H Bond Insertions of a Li/Cl Phosphinidenoid Complex and First Studies on N/P Mono Functionalizations","Organometallics","2017","","","","","10.1021/acs.organomet.7b00073","","","0.71073","MoKα","","0.0605","0.0461","","","0.1049","0.1134","","","","","","1.052","","","","has coordinates","195333","2020-10-21","18:00:00",""
"4087218","10.1012","0.0009","7.9912","0.0007","21.0452","0.0019","90","","92.17","0.005","90","","1697.6","0.3","90","2","90","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C15 H23 Cl N O2 P Pd -","- C15 H23 Cl N O2 P Pd -","- C60 H92 Cl4 N4 O8 P4 Pd4 -","4","1","","Smoll, Karena A.; Kaminsky, Werner; Goldberg, Karen I.","Photolysis of Pincer-Ligated PdII‒Me Complexes in the Presence of Molecular Oxygen","Organometallics","2017","36","7","1213","","10.1021/acs.organomet.7b00020","","","0.71073","MoKα","","0.1071","0.0964","","","0.2128","0.218","","","","","","1.203","","","","has coordinates","265224","2021-05-14","14:14:01",""
"4087219","12.2751","0.0007","15.1747","0.001","16.0414","0.001","90","","106.188","0.003","90","","2869.6","0.3","105","2","105","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C25 H44 O3 P2 Pd -","- C25 H44 O3 P2 Pd -","- C100 H176 O12 P8 Pd4 -","4","1","","Smoll, Karena A.; Kaminsky, Werner; Goldberg, Karen I.","Photolysis of Pincer-Ligated PdII‒Me Complexes in the Presence of Molecular Oxygen","Organometallics","2017","36","7","1213","","10.1021/acs.organomet.7b00020","","","0.71073","MoKα","","0.0909","0.0479","","","0.0839","0.0952","","","","","","0.934","","","","has coordinates","265224","2021-05-14","14:14:01",""
"4087220","10.0759","0.0017","7.916","0.0014","31.471","0.006","90","","98.61","0.013","90","","2481.9","0.8","296","2","296","2","","","","","","","","3","P 1 2/n 1","-P 2yac","13","","","","- C42 H68 B20 -","- C42 H68 B20 -","- C84 H136 B40 -","2","0.5","","Shin, Nara; Yu, Seokhyeon; Lee, Ji Hye; Hwang, Hyonseok; Lee, Kang Mun","Biphenyl- and Fluorene-Based o-Carboranyl Compounds: Alteration of Photophysical Properties by Distortion of Biphenyl Rings","Organometallics","2017","36","8","1522","","10.1021/acs.organomet.7b00093","","","0.71073","MoKα","","0.1156","0.0711","","","0.1938","0.2387","","","","","","1.035","","","","has coordinates","196165","2020-10-21","18:00:00",""
"4087221","8.4079","0.0017","13.793","0.003","13.875","0.003","103.766","0.008","90.704","0.009","93.81","0.008","1558.8","0.6","301","2","301","2","","","","","","","","7","P -1","-P 1","2","","","","- C26 H34 Cl F6 P Ru2 S2 -","- C26 H34 Cl F6 P Ru2 S2 -","- C52 H68 Cl2 F12 P2 Ru4 S4 -","2","1","","Ji, Xiaoxiao; Yang, Dawei; Tong, Peng; Li, Jianzhe; Wang, Baomin; Qu, Jingping","C‒H Activation of Cp* Ligand Coordinated to Ruthenium Center: Synthesis and Reactivity of a Thiolate-Bridged Diruthenium Complex Featuring Fulvene-like Cp* Ligand","Organometallics","2017","","","","","10.1021/acs.organomet.7b00091","","","0.71073","MoKα","","0.0686","0.0464","","","0.1155","0.1323","","","","","","1.013","","","","has coordinates,has disorder","195428","2020-10-21","18:00:00",""
"4087222","12.91","0.004","9.21","0.003","27.554","0.009","90","","93.761","0.004","90","","3269.1","1.8","253","2","253","2","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C26 H33 F6 I2 P Ru2 S2 -","- C26 H33 F6 I2 P Ru2 S2 -","- C104 H132 F24 I8 P4 Ru8 S8 -","4","1","","Ji, Xiaoxiao; Yang, Dawei; Tong, Peng; Li, Jianzhe; Wang, Baomin; Qu, Jingping","C‒H Activation of Cp* Ligand Coordinated to Ruthenium Center: Synthesis and Reactivity of a Thiolate-Bridged Diruthenium Complex Featuring Fulvene-like Cp* Ligand","Organometallics","2017","","","","","10.1021/acs.organomet.7b00091","","","0.71073","MoKα","","0.0437","0.0383","","","0.0942","0.0973","","","","","","1.009","","","","has coordinates","195428","2020-10-21","18:00:00",""
"4087223","13.5457","0.0008","8.9101","0.0005","25.9846","0.0015","90","","101.048","0.003","90","","3078.1","0.3","300","2","300","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C26 H33 F6 P Ru2 S4 -","- C26 H33 F6 P Ru2 S4 -","- C104 H132 F24 P4 Ru8 S16 -","4","1","","Ji, Xiaoxiao; Yang, Dawei; Tong, Peng; Li, Jianzhe; Wang, Baomin; Qu, Jingping","C‒H Activation of Cp* Ligand Coordinated to Ruthenium Center: Synthesis and Reactivity of a Thiolate-Bridged Diruthenium Complex Featuring Fulvene-like Cp* Ligand","Organometallics","2017","","","","","10.1021/acs.organomet.7b00091","","","0.71073","MoKα","","0.0489","0.0433","","","0.1116","0.1156","","","","","","1.016","","","","has coordinates","195428","2020-10-21","18:00:00",""
"4087224","10.7896","0.0017","10.948","0.0017","12.37","0.002","93.7","0.004","91.029","0.004","91.216","0.004","1457.6","0.4","298","2","298","2","","","","","","","","7","P -1","-P 1","2","","","","- C27 H33 F6 O P Ru2 S2 -","- C27 H33 F6 O P Ru2 S2 -","- C54 H66 F12 O2 P2 Ru4 S4 -","2","1","","Ji, Xiaoxiao; Yang, Dawei; Tong, Peng; Li, Jianzhe; Wang, Baomin; Qu, Jingping","C‒H Activation of Cp* Ligand Coordinated to Ruthenium Center: Synthesis and Reactivity of a Thiolate-Bridged Diruthenium Complex Featuring Fulvene-like Cp* Ligand","Organometallics","2017","","","","","10.1021/acs.organomet.7b00091","","","0.71073","MoKα","","0.0339","0.0299","","","0.0857","0.0898","","","","","","0.99","","","","has coordinates","195428","2020-10-21","18:00:00",""
"4087225","8.6965","0.0006","27.3649","0.0018","15.0412","0.001","90","","105.334","0.001","90","","3452.1","0.4","300","2","300","2","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C31 H42 F6 N P Ru2 S2 -","- C31 H42 F6 N P Ru2 S2 -","- C124 H168 F24 N4 P4 Ru8 S8 -","4","1","","Ji, Xiaoxiao; Yang, Dawei; Tong, Peng; Li, Jianzhe; Wang, Baomin; Qu, Jingping","C‒H Activation of Cp* Ligand Coordinated to Ruthenium Center: Synthesis and Reactivity of a Thiolate-Bridged Diruthenium Complex Featuring Fulvene-like Cp* Ligand","Organometallics","2017","","","","","10.1021/acs.organomet.7b00091","","","0.71073","MoKα","","0.0413","0.0365","","","0.1302","0.135","","","","","","1.165","","","","has coordinates,has disorder","195428","2020-10-21","18:00:00",""
"4087226","10.1874","0.0012","10.8208","0.0012","14.5916","0.0017","90.186","0.002","98.797","0.002","91.385","0.002","1589.1","0.3","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","","","- C33 H54 Ir N P2 -","- C33 H54 Ir N P2 -","- C66 H108 Ir2 N2 P4 -","2","1","","Esteruelas, Miguel A.; Oñate, Enrique; Palacios, Adrián U.","Selective Synthesis and Photophysical Properties of Phosphorescent Heteroleptic Iridium(III) Complexes with Two Different Bidentate Groups and Two Different Monodentate Ligands","Organometallics","2017","","","","","10.1021/acs.organomet.7b00108","","","0.71073","MoKα","","0.0264","0.0228","","","0.0575","0.0595","","","","","","0.944","","","","has coordinates","195521","2020-10-21","18:00:00",""
"4087227","10.7169","0.0011","10.7169","0.0011","25.76","0.003","90","","90","","120","","2562.2","0.5","100","2","100","2","","","","","","","","7","P 32","P 32","145","","","","- C33 H53 B F4 Ir N P2 -","- C33 H53 B F4 Ir N P2 -","- C99 H159 B3 F12 Ir3 N3 P6 -","3","1","","Esteruelas, Miguel A.; Oñate, Enrique; Palacios, Adrián U.","Selective Synthesis and Photophysical Properties of Phosphorescent Heteroleptic Iridium(III) Complexes with Two Different Bidentate Groups and Two Different Monodentate Ligands","Organometallics","2017","","","","","10.1021/acs.organomet.7b00108","","","0.71073","MoKα","","0.023","0.0222","","","0.0455","0.0459","","","","","","1.015","","","","has coordinates","195521","2020-10-21","18:00:00",""
"4087228","8.5813","0.0005","16.2812","0.0009","19.0759","0.001","90","","96.155","0.001","90","","2649.8","0.3","100","2","100","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C29 H39 Ir N O2 P -","- C29 H39 Ir N O2 P -","- C116 H156 Ir4 N4 O8 P4 -","4","1","","Esteruelas, Miguel A.; Oñate, Enrique; Palacios, Adrián U.","Selective Synthesis and Photophysical Properties of Phosphorescent Heteroleptic Iridium(III) Complexes with Two Different Bidentate Groups and Two Different Monodentate Ligands","Organometallics","2017","","","","","10.1021/acs.organomet.7b00108","","","0.71073","MoKα","","0.0304","0.024","","","0.0534","0.0567","","","","","","1.04","","","","has coordinates","195521","2020-10-21","18:00:00",""
"4087229","11.2358","0.0011","11.6571","0.0012","19.137","0.003","102.171","0.002","98.769","0.002","104.34","0.001","2317.7","0.5","100","2","100","2","","","","","","","","8","P -1","-P 1","2","","","","- C47 H71 B F4 Ir N O2 P2 -","- C47 H71 B F4 Ir N O2 P2 -","- C94 H142 B2 F8 Ir2 N2 O4 P4 -","2","1","","Esteruelas, Miguel A.; Oñate, Enrique; Palacios, Adrián U.","Selective Synthesis and Photophysical Properties of Phosphorescent Heteroleptic Iridium(III) Complexes with Two Different Bidentate Groups and Two Different Monodentate Ligands","Organometallics","2017","","","","","10.1021/acs.organomet.7b00108","","","0.71073","MoKα","","0.0273","0.0241","","","0.0572","0.0586","","","","","","1.043","","","","has coordinates,has disorder","195521","2020-10-21","18:00:00",""
"4087230","18.3509","0.0019","10.8406","0.0011","16.2855","0.0016","90","","90","","90","","3239.8","0.6","100","2","100","2","","","","","","","","6","P n a 21","P 2c -2n","33","","","","- C37 H45 Ir N O2 P -","- C37 H45 Ir N O2 P -","- C148 H180 Ir4 N4 O8 P4 -","4","1","","Esteruelas, Miguel A.; Oñate, Enrique; Palacios, Adrián U.","Selective Synthesis and Photophysical Properties of Phosphorescent Heteroleptic Iridium(III) Complexes with Two Different Bidentate Groups and Two Different Monodentate Ligands","Organometallics","2017","","","","","10.1021/acs.organomet.7b00108","","","0.71073","MoKα","","0.0238","0.0197","","","0.0435","0.0446","","","","","","1.013","","","","has coordinates","195521","2020-10-21","18:00:00",""
"4087231","18.0378","0.0009","9.5865","0.0005","14.4984","0.0007","90","","108.726","0.001","90","","2374.3","0.2","100","2","100","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C24 H31 Cl2 Ir N P -","- C24 H31 Cl2 Ir N P -","- C96 H124 Cl8 Ir4 N4 P4 -","4","1","","Esteruelas, Miguel A.; Oñate, Enrique; Palacios, Adrián U.","Selective Synthesis and Photophysical Properties of Phosphorescent Heteroleptic Iridium(III) Complexes with Two Different Bidentate Groups and Two Different Monodentate Ligands","Organometallics","2017","","","","","10.1021/acs.organomet.7b00108","","","0.71073","MoKα","","0.0304","0.0234","","","0.0474","0.0506","","","","","","1.034","","","","has coordinates","195521","2020-10-21","18:00:00",""
"4087232","9.4611","0.0006","15.0151","0.001","19.4449","0.0013","90","","90","","90","","2762.3","0.3","100","2","100","2","","","","","","","","7","P 21 21 21","P 2ac 2ab","19","","","","- C29 H38 Cl Ir N O2 P -","- C29 H38 Cl Ir N O2 P -","- C116 H152 Cl4 Ir4 N4 O8 P4 -","4","1","","Esteruelas, Miguel A.; Oñate, Enrique; Palacios, Adrián U.","Selective Synthesis and Photophysical Properties of Phosphorescent Heteroleptic Iridium(III) Complexes with Two Different Bidentate Groups and Two Different Monodentate Ligands","Organometallics","2017","","","","","10.1021/acs.organomet.7b00108","","","0.71073","MoKα","","0.0245","0.0227","","","0.0489","0.0498","","","","","","1.043","","","","has coordinates","195521","2020-10-21","18:00:00",""
"4087233","15.848","0.003","11.293","0.002","19.294","0.004","90","","102.01","0.03","90","","3377.5","1.2","100","2","100","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C37 H49 Mo2 O3 P -","- C37 H49 Mo2 O3 P -","- C148 H196 Mo8 O12 P4 -","4","1","","García, M. Esther; García-Vivó, Daniel; Ruiz, Miguel A.; Sáez, David","Divergent Reactivity of a Phosphinidene-Bridged Dimolybdenum Complex Toward 1-Alkynes: P–C, P–H, C–C, and C–H Couplings","Organometallics","2017","","","","","10.1021/acs.organomet.7b00121","","x-ray","0.71074","MoKα","","0.0507","0.0325","","","0.0559","0.0595","","","","","","0.861","","","","has coordinates","288091","2023-12-06","15:51:22",""
"4087234","10.731","0.011","21.16","0.02","14.996","0.015","90","","90.3","0.02","90","","3405","6","173","2","173","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C37 H49 Mo2 O3 P -","- C37 H49 Mo2 O3 P -","- C148 H196 Mo8 O12 P4 -","4","1","","García, M. Esther; García-Vivó, Daniel; Ruiz, Miguel A.; Sáez, David","Divergent Reactivity of a Phosphinidene-Bridged Dimolybdenum Complex Toward 1-Alkynes: P–C, P–H, C–C, and C–H Couplings","Organometallics","2017","","","","","10.1021/acs.organomet.7b00121","","x-ray","0.71074","MoKα","","0.0906","0.0555","","","0.1336","0.1548","","","","","","0.98","","","","has coordinates","288091","2023-12-06","15:51:22",""
"4087235","11.356","0.003","11.671","0.003","22.303","0.006","81.519","0.005","81.055","0.005","66.276","0.004","2661.4","1.2","296","2","296","2","","","","","","","","4","P -1","-P 1","2","","","","- C58 H81 N4 Y -","- C58 H81 N4 Y -","- C116 H162 N8 Y2 -","2","1","","Zhang, Yin; Zhang, Jie; Hong, Qianquan; Weng, Linhong; Zhou, Xigeng","Reactivity of Homoleptic Dianionic β-Diketiminato-Supported Yttrium Complexes toward CS2: Construction of Neutral or Anionic Dihydropyridinethione","Organometallics","2017","","","","","10.1021/acs.organomet.6b00941","","","0.71073","MoKα","","0.0844","0.0586","","","0.147","0.1648","","","","","","1.004","","","","has coordinates","195523","2020-10-21","18:00:00",""
"4087236","14.205","0.005","22.685","0.008","21.121","0.008","90","","95.931","0.005","90","","6770","4","293","2","293","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C70 H104 K N4 O3 Y -","- C70 H104 K N4 O3 Y -","- C280 H416 K4 N16 O12 Y4 -","4","0.5","","Zhang, Yin; Zhang, Jie; Hong, Qianquan; Weng, Linhong; Zhou, Xigeng","Reactivity of Homoleptic Dianionic β-Diketiminato-Supported Yttrium Complexes toward CS2: Construction of Neutral or Anionic Dihydropyridinethione","Organometallics","2017","","","","","10.1021/acs.organomet.6b00941","","","0.71073","MoKα","","0.0761","0.0494","","","0.1126","0.1201","","","","","","1.001","","","","has coordinates","195523","2020-10-21","18:00:00",""
"4087237","20.559","0.004","18.095","0.003","23.55","0.004","90","","107.249","0.002","90","","8367","3","273","2","273","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C76 H116 K N6 O6 Y -","- C76 H116 K N6 O6 Y -","- C304 H464 K4 N24 O24 Y4 -","4","1","","Zhang, Yin; Zhang, Jie; Hong, Qianquan; Weng, Linhong; Zhou, Xigeng","Reactivity of Homoleptic Dianionic β-Diketiminato-Supported Yttrium Complexes toward CS2: Construction of Neutral or Anionic Dihydropyridinethione","Organometallics","2017","","","","","10.1021/acs.organomet.6b00941","","","0.71073","MoKα","","0.1875","0.083","","","0.2037","0.2245","","","","","","1.004","","","","has coordinates","195523","2020-10-21","18:00:00",""
"4087238","16.02","0.007","18.329","0.008","24.614","0.011","90","","90","","90","","7227","6","293","2","293","2","","","","","","","","4","P c c n","-P 2ab 2ac","56","","","","- C74 H116 N5 Y -","- C74 H116 N5 Y -","- C296 H464 N20 Y4 -","4","0.5","","Zhang, Yin; Zhang, Jie; Hong, Qianquan; Weng, Linhong; Zhou, Xigeng","Reactivity of Homoleptic Dianionic β-Diketiminato-Supported Yttrium Complexes toward CS2: Construction of Neutral or Anionic Dihydropyridinethione","Organometallics","2017","","","","","10.1021/acs.organomet.6b00941","","","0.71073","MoKα","","0.1604","0.0677","","","0.1383","0.1762","","","","","","1.006","","","","has coordinates","195523","2020-10-21","18:00:00",""
"4087239","14.739","0.004","16.894","0.004","19.816","0.005","75.797","0.004","71.313","0.004","80.812","0.004","4514","2","296","2","296","2","","","","","","","","6","P -1","-P 1","2","","","","- C78 H115 K N6 O6 S2 -","- C78 H115 K N6 O6 S2 -","- C156 H230 K2 N12 O12 S4 -","2","1","","Zhang, Yin; Zhang, Jie; Hong, Qianquan; Weng, Linhong; Zhou, Xigeng","Reactivity of Homoleptic Dianionic β-Diketiminato-Supported Yttrium Complexes toward CS2: Construction of Neutral or Anionic Dihydropyridinethione","Organometallics","2017","","","","","10.1021/acs.organomet.6b00941","","","0.71073","MoKα","","0.114","0.0719","","","0.1722","0.1852","","","","","","1.005","","","","has coordinates","195523","2020-10-21","18:00:00",""
"4087240","15.054","0.01","9.028","0.006","20.224","0.014","90","","91.151","0.011","90","","2748","3","296","2","296","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C30 H40 N2 S -","- C30 H40 N2 S -","- C120 H160 N8 S4 -","4","1","","Zhang, Yin; Zhang, Jie; Hong, Qianquan; Weng, Linhong; Zhou, Xigeng","Reactivity of Homoleptic Dianionic β-Diketiminato-Supported Yttrium Complexes toward CS2: Construction of Neutral or Anionic Dihydropyridinethione","Organometallics","2017","","","","","10.1021/acs.organomet.6b00941","","","0.71073","MoKα","","0.2649","0.1298","","","0.2756","0.3479","","","","","","1.085","","","","has coordinates","195523","2020-10-21","18:00:00",""
"4087241","10.913","0.0003","20.9287","0.0008","20.6686","0.0009","90","","92.019","0.003","90","","4717.7","0.3","150.1","0.1","150.1","0.1","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C58 H58 N2 Ni P2 -","- C58 H58 N2 Ni P2 -","- C232 H232 N8 Ni4 P8 -","4","1","","Sabater, Sara; Page, Michael J.; Mahon, Mary F.; Whittlesey, Michael K.","Stoichiometric and Catalytic Reactivity of Ni(6-Mes)(PPh3)2","Organometallics","2017","","","","","10.1021/acs.organomet.7b00129","","","1.54184","CuKα","","0.1315","0.079","","","0.1803","0.2008","","","","","","0.904","","","","has coordinates","195598","2020-10-21","18:00:00",""
"4087242","10.49055","0.00008","19.54474","0.00017","19.67752","0.00018","90","","92.7311","0.0008","90","","4030","0.06","150","0.1","150","0.1","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C49 H51 N2 Ni P -","- C49 H51 N2 Ni P -","- C196 H204 N8 Ni4 P4 -","4","1","","Sabater, Sara; Page, Michael J.; Mahon, Mary F.; Whittlesey, Michael K.","Stoichiometric and Catalytic Reactivity of Ni(6-Mes)(PPh3)2","Organometallics","2017","","","","","10.1021/acs.organomet.7b00129","","x-ray","1.54184","CuKα","","0.0416","0.0369","","","0.0928","0.0959","","","","","","1.02","","","","has coordinates","195598","2020-10-21","18:00:00",""
"4087243","11.93635","0.00008","12.47592","0.00007","26.36052","0.00016","90","","99.2626","0.0006","90","","3874.34","0.04","150","0.1","150","0.1","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C48 H51 N2 Ni P -","- C48 H51 N2 Ni P -","- C192 H204 N8 Ni4 P4 -","4","1","","Sabater, Sara; Page, Michael J.; Mahon, Mary F.; Whittlesey, Michael K.","Stoichiometric and Catalytic Reactivity of Ni(6-Mes)(PPh3)2","Organometallics","2017","","","","","10.1021/acs.organomet.7b00129","","x-ray","1.54184","CuKα","","0.0332","0.0309","","","0.0798","0.0813","","","","","","1.041","","","","has coordinates","195598","2020-10-21","18:00:00",""
"4087244","14.46073","0.00018","15.68762","0.00018","18.9289","0.0002","90","","90","","90","","4294.1","0.09","150","0.1","150","0.1","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C53 H53 N2 Ni O P -","- C53 H53 N2 Ni O P -","- C212 H212 N8 Ni4 O4 P4 -","4","1","","Sabater, Sara; Page, Michael J.; Mahon, Mary F.; Whittlesey, Michael K.","Stoichiometric and Catalytic Reactivity of Ni(6-Mes)(PPh3)2","Organometallics","2017","","","","","10.1021/acs.organomet.7b00129","","x-ray","1.54184","CuKα","","0.0323","0.0295","","","0.0722","0.0736","","","","","","1.039","","","","has coordinates","195598","2020-10-21","18:00:00",""
"4087245","11.8383","0.0003","16.6312","0.0003","20.5323","0.0003","90","","97.9629","0.0019","90","","4003.53","0.14","150.01","0.1","150.01","0.1","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C47 H49 N2 Ni O P -","- C47 H49 N2 Ni O P -","- C188 H196 N8 Ni4 O4 P4 -","4","1","","Sabater, Sara; Page, Michael J.; Mahon, Mary F.; Whittlesey, Michael K.","Stoichiometric and Catalytic Reactivity of Ni(6-Mes)(PPh3)2","Organometallics","2017","","","","","10.1021/acs.organomet.7b00129","","x-ray","1.54184","CuKα","","0.0639","0.05","","","0.1119","0.1187","","","","","","1.031","","","","has coordinates","195598","2020-10-21","18:00:00",""
"4087246","11.42881","0.00006","16.9674","0.00009","20.23065","0.0001","90","","90","","90","","3923.07","0.04","150","0.1","150.1","0.1","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C46 H43 F6 N2 Ni P -","- C46 H43 F6 N2 Ni P -","- C184 H172 F24 N8 Ni4 P4 -","4","1","","Sabater, Sara; Page, Michael J.; Mahon, Mary F.; Whittlesey, Michael K.","Stoichiometric and Catalytic Reactivity of Ni(6-Mes)(PPh3)2","Organometallics","2017","","","","","10.1021/acs.organomet.7b00129","","","1.54184","CuKα","","0.0218","0.0216","","","0.0574","0.0576","","","","","","1.063","","","","has coordinates,has disorder","195598","2020-10-21","18:00:00",""
"4087247","8.39335","0.00009","27.1073","0.0002","13.64061","0.00015","90","","106.61","0.0012","90","","2974.02","0.05","150","0.1","150","0.1","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C32 H39 N4 Ni P -","- C32 H39 N4 Ni P -","- C128 H156 N16 Ni4 P4 -","4","1","","Sabater, Sara; Page, Michael J.; Mahon, Mary F.; Whittlesey, Michael K.","Stoichiometric and Catalytic Reactivity of Ni(6-Mes)(PPh3)2","Organometallics","2017","","","","","10.1021/acs.organomet.7b00129","","x-ray","1.54184","CuKα","","0.0375","0.032","","","0.0755","0.0783","","","","","","1.037","","","","has coordinates,has disorder","195598","2020-10-21","18:00:00",""
"4087248","12.1123","0.0016","17.357","0.002","15.036","0.0019","90","","103.57","0.002","90","","3072.8","0.7","273","2","273","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C40 H30 Co N2 O -","- C40 H30 Co N2 O -","- C160 H120 Co4 N8 O4 -","4","1","","Hazra, Susanta; Deb, Mayukh; Singh, Jatinder; Elias, Anil J.","Picolinamide as a Directing Group on Metal Sandwich Compounds: sp2 C‒H Bond Activation and sp3 C‒H Bond Oxidation","Organometallics","2017","","","","","10.1021/acs.organomet.7b00143","","","0.71073","MoKα","","0.05","0.0415","","","0.1044","0.1091","","","","","","1.036","","","","has coordinates","195635","2020-10-21","18:00:00",""
"4087249","10.4199","0.0013","11.7779","0.0015","14.0341","0.0018","69.512","0.002","80.197","0.002","84.859","0.002","1589","0.3","298","2","298","2","","","","","","","","5","P 1","P 1","1","","","","- C42 H35 Co N2 O -","- C42 H35 Co N2 O -","- C84 H70 Co2 N4 O2 -","2","2","","Hazra, Susanta; Deb, Mayukh; Singh, Jatinder; Elias, Anil J.","Picolinamide as a Directing Group on Metal Sandwich Compounds: sp2 C‒H Bond Activation and sp3 C‒H Bond Oxidation","Organometallics","2017","","","","","10.1021/acs.organomet.7b00143","","","0.71073","MoKα","","0.0599","0.0498","","","0.1092","0.1155","","","","","","1.022","","","","has coordinates","195635","2020-10-21","18:00:00",""
"4087250","11.094","0.003","15.601","0.004","26.287","0.007","90","","96.851","0.005","90","","4517","2","293","2","293","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C55 H44 Cl3 Co N2 O3 -","- C55 H44 Cl3 Co N2 O3 -","- C220 H176 Cl12 Co4 N8 O12 -","4","1","","Hazra, Susanta; Deb, Mayukh; Singh, Jatinder; Elias, Anil J.","Picolinamide as a Directing Group on Metal Sandwich Compounds: sp2 C‒H Bond Activation and sp3 C‒H Bond Oxidation","Organometallics","2017","","","","","10.1021/acs.organomet.7b00143","","","0.71073","MoKα","","0.1612","0.0776","","","0.1586","0.1892","","","","","","0.946","","","","has coordinates","195635","2020-10-21","18:00:00",""
"4087251","11.0618","0.0011","17.9809","0.0017","18.175","0.0017","90","","92.066","0.002","90","","3612.7","0.6","298","2","298","2","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C45 H33 Br Co N3 O Pd -","- C45 H33 Br Co N3 O Pd -","- C180 H132 Br4 Co4 N12 O4 Pd4 -","4","1","","Hazra, Susanta; Deb, Mayukh; Singh, Jatinder; Elias, Anil J.","Picolinamide as a Directing Group on Metal Sandwich Compounds: sp2 C‒H Bond Activation and sp3 C‒H Bond Oxidation","Organometallics","2017","","","","","10.1021/acs.organomet.7b00143","","","0.71073","MoKα","","0.0709","0.0487","","","0.1355","0.1495","","","","","","1.091","","","","has coordinates","195635","2020-10-21","18:00:00",""
"4087252","15.289","0.0017","16.8883","0.0019","19.721","0.002","90","","90.361","0.003","90","","5092","1","298","2","298","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C29 H22 Br2 Fe N2 O -","- C29 H22 Br2 Fe N2 O -","- C232 H176 Br16 Fe8 N16 O8 -","8","2","","Hazra, Susanta; Deb, Mayukh; Singh, Jatinder; Elias, Anil J.","Picolinamide as a Directing Group on Metal Sandwich Compounds: sp2 C‒H Bond Activation and sp3 C‒H Bond Oxidation","Organometallics","2017","","","","","10.1021/acs.organomet.7b00143","","","0.71073","MoKα","","0.1311","0.0541","","","0.1113","0.1417","","","","","","0.977","","","","has coordinates","195635","2020-10-21","18:00:00",""
"4087253","21.021","0.003","17.05","0.002","16.0951","0.0019","90","","111.096","0.002","90","","5382","1.2","293","2","298","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C36 H29 Co O -","- C36 H29 Co O -","- C288 H232 Co8 O8 -","8","1","","Hazra, Susanta; Deb, Mayukh; Singh, Jatinder; Elias, Anil J.","Picolinamide as a Directing Group on Metal Sandwich Compounds: sp2 C‒H Bond Activation and sp3 C‒H Bond Oxidation","Organometallics","2017","","","","","10.1021/acs.organomet.7b00143","","","0.71073","MoKα","","0.0931","0.0635","","","0.1879","0.2174","","","","","","1.076","","","","has coordinates","195635","2020-10-21","18:00:00",""
"4087254","19.3986","0.0012","20.1631","0.0014","22.2441","0.0014","90","","94.617","0.002","90","","8672.2","1","100","2","100","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C95 H106 N4 O4 -","- C95 H106 N4 O4 -","- C380 H424 N16 O16 -","4","1","","Carter, Ashley; Mason, Alexander; Baker, Michael A.; Bettler, Donald G.; Changas, Angelo; McMillen, Colin D.; Tapu, Daniela","Janus-Type Bis(maloNHC) and Its Zwitterionic Gold and Silver Metal Complexes","Organometallics","2017","36","9","1867","","10.1021/acs.organomet.7b00206","","","0.71073","MoKα","","0.0794","0.0633","","","0.1731","0.1907","","","","","","1.043","","","","has coordinates","197475","2020-10-21","18:00:00",""
"4087255","12.3149","0.001","18.8123","0.0016","18.4296","0.0016","90","","109.037","0.003","90","","4036.1","0.6","100","2","100","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C80 H89 K2 N7 O4 S2 -","- C76 H83 K2 N5 O4 S2 -","- C152 H166 K4 N10 O8 S4 -","2","0.5","","Carter, Ashley; Mason, Alexander; Baker, Michael A.; Bettler, Donald G.; Changas, Angelo; McMillen, Colin D.; Tapu, Daniela","Janus-Type Bis(maloNHC) and Its Zwitterionic Gold and Silver Metal Complexes","Organometallics","2017","36","9","1867","","10.1021/acs.organomet.7b00206","","","0.71073","MoKα","","0.0704","0.0561","","","0.183","0.1979","","","","","","1.069","","","","has coordinates","197475","2020-10-21","18:00:00",""
"4087256","33.0879","0.0014","14.4747","0.0006","26.0816","0.001","90","","123.166","0.001","90","","10456.5","0.7","100","2","100","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C117 H118 Au2 N4 O4 P2 -","- C117 H118 Au2 N4 O4 P2 -","- C468 H472 Au8 N16 O16 P8 -","4","0.5","","Carter, Ashley; Mason, Alexander; Baker, Michael A.; Bettler, Donald G.; Changas, Angelo; McMillen, Colin D.; Tapu, Daniela","Janus-Type Bis(maloNHC) and Its Zwitterionic Gold and Silver Metal Complexes","Organometallics","2017","36","9","1867","","10.1021/acs.organomet.7b00206","","","0.71073","MoKα","","0.0541","0.0387","","","0.1081","0.1228","","","","","","1.061","","","","has coordinates","197475","2020-10-21","18:00:00",""
"4087257","33.218","0.005","14.445","0.002","26.047","0.004","90","","123.072","0.011","90","","10473","3","100","2","100","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C117 H118 Ag2 N4 O4 P2 -","- C117 H118 Ag2 N4 O4 P2 -","- C468 H472 Ag8 N16 O16 P8 -","4","0.5","","Carter, Ashley; Mason, Alexander; Baker, Michael A.; Bettler, Donald G.; Changas, Angelo; McMillen, Colin D.; Tapu, Daniela","Janus-Type Bis(maloNHC) and Its Zwitterionic Gold and Silver Metal Complexes","Organometallics","2017","36","9","1867","","10.1021/acs.organomet.7b00206","","","0.71073","MoKα","","0.0782","0.0609","","","0.1823","0.2045","","","","","","1.092","","","","has coordinates","197475","2020-10-21","18:00:00",""
"4087258","24.3108","0.0014","15.9429","0.0014","14.7716","0.001","90","","106.302","0.002","90","","5495.1","0.7","293","2","293","2","","","","","","","","7","C 1 2/c 1","-C 2yc","15","","","","- C31.5 H21 Cl F4 Ir N3 O2 -","- C31.5 H21 Cl F4 Ir N3 O2 -","- C252 H168 Cl8 F32 Ir8 N24 O16 -","8","1","","Benjamin, Helen; Liang, Jie; Liu, Yu; Geng, Yun; Liu, Xingman; Zhu, Dongxia; Batsanov, Andrei S.; Bryce, Martin R.","Color Tuning of Efficient Electroluminescence in the Blue and Green Regions Using Heteroleptic Iridium Complexes with 2-Phenoxyoxazole Ancillary Ligands","Organometallics","2017","","","","","10.1021/acs.organomet.7b00161","","","0.71073","MoKα","","0.0366","0.0261","","","0.0611","0.0655","","","","","","1.036","","","","has coordinates","195637","2020-10-21","18:00:00",""
"4087259","12.8946","0.0005","16.5103","0.0007","16.7577","0.0007","90","","96.4729","0.0012","90","","3544.9","0.3","120","","120","","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C40 H40 Ir N3 O6 S -","- C40 H40 Ir N3 O6 S -","- C160 H160 Ir4 N12 O24 S4 -","4","1","","Benjamin, Helen; Liang, Jie; Liu, Yu; Geng, Yun; Liu, Xingman; Zhu, Dongxia; Batsanov, Andrei S.; Bryce, Martin R.","Color Tuning of Efficient Electroluminescence in the Blue and Green Regions Using Heteroleptic Iridium Complexes with 2-Phenoxyoxazole Ancillary Ligands","Organometallics","2017","","","","","10.1021/acs.organomet.7b00161","","x-ray","0.71073","MoKα","","0.0241","0.0177","","","0.0351","0.0366","","","","","","1.036","","","","has coordinates,has disorder","195637","2020-10-21","18:00:00",""
"4087260","13.0961","0.0006","14.9991","0.0007","17.6182","0.0009","100.939","0.0017","105.983","0.0017","112.871","0.0016","2888.2","0.3","120","2","120","","","","","","","","","7","P -1","-P 1","2","","","","- C32.5 H17.9 Cl1.1 F7 Ir N3 O2 -","- C32.5 H17.9 Cl1.1 F7 Ir N3 O2 -","- C130 H71.6 Cl4.4 F28 Ir4 N12 O8 -","4","2","","Benjamin, Helen; Liang, Jie; Liu, Yu; Geng, Yun; Liu, Xingman; Zhu, Dongxia; Batsanov, Andrei S.; Bryce, Martin R.","Color Tuning of Efficient Electroluminescence in the Blue and Green Regions Using Heteroleptic Iridium Complexes with 2-Phenoxyoxazole Ancillary Ligands","Organometallics","2017","","","","","10.1021/acs.organomet.7b00161","","x-ray","0.71073","MoKα","","0.039","0.0259","","","0.0501","0.0536","","","","","","1.016","","","","has coordinates,has disorder","195637","2020-10-21","18:00:00",""
"4087261","12.2784","0.0008","25.957","0.002","17.8363","0.0012","90","","102.645","0.005","90","","5546.7","0.7","100","2","100","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C59 H92 Co N2 Ni O S -","- C59 H92 Co N2 Ni O S -","- C236 H368 Co4 N8 Ni4 O4 S4 -","4","1","","Hartmann, Nathaniel J.; Wu, Guang; Hayton, Trevor W.","Trapping of an NiII Sulfide by a CoI Fulvene Complex","Organometallics","2017","36","9","1765","","10.1021/acs.organomet.7b00123","","","0.71073","MoKα","","0.2038","0.0802","","","0.1283","0.1654","","","","","","0.984","","","","has coordinates","197476","2020-10-21","18:00:00",""
"4087262","10.7597","0.0019","11.701","0.002","19.5","0.004","83.274","0.002","89.827","0.003","83.061","0.002","2420.1","0.8","100","2","100","2","","","","","","","","6","P -1","-P 1","2","","","","- C37 H70 N3 P Si6 Th -","- C37 H70 N3 P Si6 Th -","- C74 H140 N6 P2 Si12 Th2 -","2","1","","Smiles, Danil E.; Wu, Guang; Hrobárik, Peter; Hayton, Trevor W.","Synthesis, Thermochemistry, Bonding, and 13C NMR Chemical Shift Analysis of a Phosphorano-Stabilized Carbene of Thorium","Organometallics","2017","36","23","4519","","10.1021/acs.organomet.7b00202","","","0.71073","MoKα","","0.0226","0.0203","","","0.0481","0.0491","","","","","","1.003","","","","has coordinates","204882","2020-10-21","18:00:00",""
"4087263","22.2869","0.0005","15.1455","0.0002","22.4287","0.0005","90","","118.294","0.003","90","","6666.2","0.3","100","0.1","100","0.1","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C40 H44 Ca N2 O3 -","- C40 H44 Ca N2 O3 -","- C320 H352 Ca8 N16 O24 -","8","2","","Freitag, Benjamin; Elsen, Holger; Pahl, Jürgen; Ballmann, Gerd; Herrera, Alberto; Dorta, Romano; Harder, Sjoerd","s-Block Metal Dibenzoazepinate Complexes: Evidence for Mg‒Alkene Encapsulation","Organometallics","2017","36","9","1860","","10.1021/acs.organomet.7b00200","","x-ray","1.54184","CuKα","","0.0452","0.0385","","","0.0963","0.101","","","","","","1.018","","","","has coordinates,has disorder","197474","2020-10-21","18:00:00",""
"4087264","45.3947","0.0011","10.3734","0.0002","15.2106","0.0004","90","","98.106","0.002","90","","7091.1","0.3","100","","100","","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C36 H36 Mg N2 O2 -","- C36 H36 Mg N2 O2 -","- C288 H288 Mg8 N16 O16 -","8","1","","Freitag, Benjamin; Elsen, Holger; Pahl, Jürgen; Ballmann, Gerd; Herrera, Alberto; Dorta, Romano; Harder, Sjoerd","s-Block Metal Dibenzoazepinate Complexes: Evidence for Mg‒Alkene Encapsulation","Organometallics","2017","36","9","1860","","10.1021/acs.organomet.7b00200","","x-ray","0.71073","MoKα","","0.0767","0.0704","","","0.1757","0.1791","","","","","","1.105","","","","has coordinates","204142","2020-10-21","18:00:00",""
"4087265","10.6789","0.0005","11.3975","0.0005","24.865","0.0008","93.888","0.003","97.013","0.003","117.926","0.004","2626.9","0.2","99.98","0.1","99.98","0.1","","","","","","","","4","P -1","-P 1","2","","","","- C71 H55 Mg2 N4 -","- C71 H55 Mg2 N4 -","- C142 H110 Mg4 N8 -","2","1","","Freitag, Benjamin; Elsen, Holger; Pahl, Jürgen; Ballmann, Gerd; Herrera, Alberto; Dorta, Romano; Harder, Sjoerd","s-Block Metal Dibenzoazepinate Complexes: Evidence for Mg‒Alkene Encapsulation","Organometallics","2017","36","9","1860","","10.1021/acs.organomet.7b00200","","x-ray","0.71073","MoKα","","0.0882","0.0754","","","0.1456","0.1519","","","","","","1.173","","","","has coordinates","197474","2020-10-21","18:00:00",""
"4087266","15.6271","0.0006","16.393","0.0006","18.2668","0.0006","90","","90","","90","","4679.5","0.3","100","0.1","100","0.1","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C26 H34 Li N O3 -","- C26 H34 Li N O3 -","- C208 H272 Li8 N8 O24 -","8","2","","Freitag, Benjamin; Elsen, Holger; Pahl, Jürgen; Ballmann, Gerd; Herrera, Alberto; Dorta, Romano; Harder, Sjoerd","s-Block Metal Dibenzoazepinate Complexes: Evidence for Mg‒Alkene Encapsulation","Organometallics","2017","36","9","1860","","10.1021/acs.organomet.7b00200","","x-ray","1.54184","CuKα","","0.0472","0.0436","","","0.1107","0.1142","","","","","","1.026","","","","has coordinates,has disorder","197474","2020-10-21","18:00:00",""
"4087267","10.9377","0.0005","19.7172","0.0008","20.4051","0.0011","107.025","0.004","97.494","0.004","93.238","0.004","4150.9","0.4","100","2","100","","","","","","","","","5","P -1","-P 1","2","","","","- C55.88 H43.38 B N4 S -","- C55.5 H42.5 B N4 S -","- C222 H170 B4 N16 S4 -","4","2","","Crossley, Daniel L.; Goh, Rosanne; Cid, Jessica; Vitorica-Yrezabal, Inigo; Turner, Michael L.; Ingleson, Michael J.","Borylated Arylamine‒Benzothiadiazole Donor‒Acceptor Materials as Low-LUMO, Low-Band-Gap Chromophores","Organometallics","2017","","","","","10.1021/acs.organomet.7b00188","","x-ray","0.6889","synchrotron","","0.1007","0.0578","","","0.132","0.1512","","","","","","1.035","","","","has coordinates,has disorder","195762","2020-10-21","18:00:00",""
"4087268","10.882","0.002","11.518","0.002","18.126","0.004","90","","93.86","0.03","90","","2266.7","0.8","298","2","298","2","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C21 H26 N O2 P Pt S2 -","- C21 H26 N O2 P Pt S2 -","- C84 H104 N4 O8 P4 Pt4 S8 -","4","1","","Fereidoonnezhad, Masood; Kaboudin, Babak; Mirzaee, Tabassom; Babadi Aghakhanpour, Reza; Golbon Haghighi, Mohsen; Faghih, Zeinab; Faghih, Zahra; Ahmadipour, Zohreh; Notash, Behrouz; Shahsavari, Hamid R.","Cyclometalated Platinum(II) Complexes Bearing Bidentate O,O′-Di(alkyl)dithiophosphate Ligands: Photoluminescence and Cytotoxic Properties","Organometallics","2017","36","9","1707","","10.1021/acs.organomet.7b00054","","","0.71073","MoKα","","0.1267","0.0632","","","0.128","0.1471","","","","","","0.92","","","","has coordinates","197477","2020-10-21","18:00:00",""
"4087269","12.2352","0.0004","13.1124","0.0003","22.2118","0.0004","90","","90","","90","","3563.5","0.16","200","2","200","2","","","","","","","","9","P 21 21 21","P 2ac 2ab","19","","","","- C24 H44 F6 N2 O8 P Re S2 Si -","- C24 H44 F6 N2 O8 P Re S2 Si -","- C96 H176 F24 N8 O32 P4 Re4 S8 Si4 -","4","1","","Mazzotta, Michael G.; Xiong, Manxi; Abu-Omar, Mahdi M.","Carbon Dioxide Reduction to Silyl-Protected Methanol Catalyzed by an Oxorhenium Pincer PNN Complex","Organometallics","2017","","","","","10.1021/acs.organomet.7b00223","","","1.54178","CuKα","","0.0495","0.0493","","","0.1301","0.1304","","","","","","1.047","","","","has coordinates","195853","2020-10-21","18:00:00",""
"4087270","28.0029","0.0012","11.3685","0.0005","30.7312","0.0018","90","","116.03","0.002","90","","8790.9","0.8","296","2","296","2","","","","","","","","3","C 1 2/c 1","-C 2yc","15","","","","- C37 H54 B20 -","- C37 H54 B20 -","- C296 H432 B160 -","8","1","","Shin, Nara; Yu, Seokhyeon; Lee, Ji Hye; Hwang, Hyonseok; Lee, Kang Mun","Biphenyl- and Fluorene-Based o-Carboranyl Compounds: Alteration of Photophysical Properties by Distortion of Biphenyl Rings","Organometallics","2017","36","8","1522","","10.1021/acs.organomet.7b00093","","","0.71073","MoKα","","0.1253","0.0804","","","0.2205","0.2653","","","","","","1.029","","","","has coordinates","196038","2020-10-21","18:00:00",""
"4087271","11.5966","0.0004","39.7673","0.0015","13.4976","0.0005","90","","102.258","0.001","90","","6082.7","0.4","100","0.1","100","0.1","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C38 H16 F10 N2 Pd Zn -","- C38 H16 F10 N2 Pd Zn -","- C304 H128 F80 N16 Pd8 Zn8 -","8","1","","Oeschger, Raphael J.; Chen, Peter","A Heterobimetallic Pd‒Zn Complex: Study of a d8‒d10 Bond in Solid State, in Solution, and in Silico","Organometallics","2017","36","8","1465","","10.1021/acs.organomet.7b00113","","x-ray","0.71073","MoKα","","0.0418","0.0306","","","0.0633","0.0683","","","","","","1.024","","","","has coordinates","196039","2020-10-21","18:00:00",""
"4087272","7.9707","0.0002","25.7264","0.0004","17.9969","0.0004","90","","99.95","0.002","90","","3634.89","0.14","100","2","100","2","","","","","","","","8","P 1 21/c 1","-P 2ybc","14","","","","- C32 H40 B Cl3 F5 N5 O3 S -","- C32 H40 B Cl3 F5 N5 O3 S -","- C128 H160 B4 Cl12 F20 N20 O12 S4 -","4","1","","Navarro, Miquel; Wang, Suxiao; Müller-Bunz, Helge; Redmond, Gareth; Farràs, Pau; Albrecht, Martin","Triazolylidene Metal Complexes Tagged with a Bodipy Chromophore: Synthesis and Monitoring of Ligand Exchange Reactions","Organometallics","2017","36","8","1469","","10.1021/acs.organomet.6b00672","","","1.54184","CuKα","","0.0509","0.0384","","","0.0922","0.1004","","","","","","1.026","","","","has coordinates","196040","2020-10-21","18:00:00",""
"4087273","7.5753","0.00009","12.1883","0.0002","17.3804","0.0002","90","","96.031","0.001","90","","1595.85","0.04","100","2","100","2","","","","","","","","7","P 1 21 1","P 2yb","4","","","","- C32 H34 B F5 N6 O3 S -","- C32 H34 B F5 N6 O3 S -","- C64 H68 B2 F10 N12 O6 S2 -","2","1","","Navarro, Miquel; Wang, Suxiao; Müller-Bunz, Helge; Redmond, Gareth; Farràs, Pau; Albrecht, Martin","Triazolylidene Metal Complexes Tagged with a Bodipy Chromophore: Synthesis and Monitoring of Ligand Exchange Reactions","Organometallics","2017","36","8","1469","","10.1021/acs.organomet.6b00672","","","0.71073","MoKα","","0.0372","0.0347","","","0.0858","0.0878","","","","","","1.03","","","","has coordinates","196040","2020-10-21","18:00:00",""
"4087274","14.9355","0.0002","31.1889","0.0003","14.9548","0.0002","90","","91.436","0.001","90","","6964.08","0.15","100","2","100","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C60 H74 B2 Cl2 F4 N10 Pd2 -","- C60 H74 B2 Cl2 F4 N10 Pd2 -","- C240 H296 B8 Cl8 F16 N40 Pd8 -","4","1","","Navarro, Miquel; Wang, Suxiao; Müller-Bunz, Helge; Redmond, Gareth; Farràs, Pau; Albrecht, Martin","Triazolylidene Metal Complexes Tagged with a Bodipy Chromophore: Synthesis and Monitoring of Ligand Exchange Reactions","Organometallics","2017","36","8","1469","","10.1021/acs.organomet.6b00672","","","1.54184","CuKα","","0.0671","0.0534","","","0.1404","0.1526","","","","","","1.027","","","","has coordinates,has disorder","196040","2020-10-21","18:00:00",""
"4087275","9.98924","0.00006","14.8914","0.0002","15.0029","0.0002","80.4957","0.0008","74.8522","0.0006","87.4126","0.0007","2124.62","0.04","100","2","100","2","","","","","","","","7","P -1","-P 1","2","","","","- C44 H48 B Cl3 F2 N6 Pd -","- C43 H46 B Cl F2 N6 Pd -","- C86 H92 B2 Cl2 F4 N12 Pd2 -","2","1","","Navarro, Miquel; Wang, Suxiao; Müller-Bunz, Helge; Redmond, Gareth; Farràs, Pau; Albrecht, Martin","Triazolylidene Metal Complexes Tagged with a Bodipy Chromophore: Synthesis and Monitoring of Ligand Exchange Reactions","Organometallics","2017","36","8","1469","","10.1021/acs.organomet.6b00672","","","1.54184","CuKα","","0.0292","0.028","","","0.0737","0.0743","","","","","","1.072","","","","has coordinates","196040","2020-10-21","18:00:00",""
"4087276","10.0476","0.0003","13.0268","0.0004","18.8205","0.0006","90","","95.685","0.002","90","","2451.26","0.13","150","2","150","2","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C22 H31 Cl N3 O2 P Ru -","- C22 H31 Cl N3 O2 P Ru -","- C88 H124 Cl4 N12 O8 P4 Ru4 -","4","1","","de Boer, Sandra Y.; Korstanje, Ties J.; La Rooij, Stefan R.; Kox, Rogier; Reek, Joost N. H.; van der Vlugt, Jarl Ivar","Ruthenium PNN(O) Complexes: Cooperative Reactivity and Application as Catalysts for Acceptorless Dehydrogenative Coupling Reactions","Organometallics","2017","36","8","1541","","10.1021/acs.organomet.7b00111","","","0.71073","MoKα","","0.0546","0.0315","","","0.061","0.069","","","","","","1.023","","","","has coordinates","196041","2020-10-21","18:00:00",""
"4087277","11.6113","0.0014","12.637","0.0015","18.201","0.002","70.865","0.005","78.917","0.005","64.645","0.005","2275.9","0.5","150","","150","","","","","","","","","5","P -1","-P 1","2","","","","- C58 H47 O P3 Rh -","- C58 H47 O P3 Rh -","- C116 H94 O2 P6 Rh2 -","2","1","","Sung, Simon; Boon, Jie Kang; Lee, Johnathan J. C.; Rajabi, Nasir A.; Macgregor, Stuart A.; Krämer, Tobias; Young, Rowan D.","Convergent (De)Hydrogenative Pathways via a Rhodium α-Hydroxylalkyl Complex","Organometallics","2017","36","8","1609","","10.1021/acs.organomet.7b00158","","","0.71073","MoKα","","0.1541","0.1396","","0.3332","0.3308","0.3332","","","","","","1.0989","","","","has coordinates","196042","2020-10-21","18:00:00",""
"4087278","12.8773","0.0011","19.4837","0.0015","18.3485","0.0013","90","","109.692","0.002","90","","4334.4","0.6","150","","150","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C55 H44 O P3 Rh -","- C55 H44 O P3 Rh -","- C220 H176 O4 P12 Rh4 -","4","1","","Sung, Simon; Boon, Jie Kang; Lee, Johnathan J. C.; Rajabi, Nasir A.; Macgregor, Stuart A.; Krämer, Tobias; Young, Rowan D.","Convergent (De)Hydrogenative Pathways via a Rhodium α-Hydroxylalkyl Complex","Organometallics","2017","36","8","1609","","10.1021/acs.organomet.7b00158","","","0.71073","MoKα","","0.1332","0.0868","","0.2104","0.1802","0.2096","","","","","","0.9679","","","","has coordinates","196042","2020-10-21","18:00:00",""
"4087279","13.2784","0.0006","21.9453","0.0012","15.2141","0.0008","90","","91.4616","0.0019","90","","4431.9","0.4","100","","100","","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C55 H45 Cl O P3 Rh -","- C55 H45 Cl O P3 Rh -","- C220 H180 Cl4 O4 P12 Rh4 -","4","1","","Sung, Simon; Boon, Jie Kang; Lee, Johnathan J. C.; Rajabi, Nasir A.; Macgregor, Stuart A.; Krämer, Tobias; Young, Rowan D.","Convergent (De)Hydrogenative Pathways via a Rhodium α-Hydroxylalkyl Complex","Organometallics","2017","36","8","1609","","10.1021/acs.organomet.7b00158","","","0.71073","MoKα","","0.1185","0.066","","0.1304","0.1127","0.1304","","","","","","1.0161","","","","has coordinates","196042","2020-10-21","18:00:00",""
"4087280","11.464","0.002","10.836","0.002","17.821","0.004","90","","90","","90","","2213.8","0.8","193","2","193","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C20 H34 Cu2 N4 -","- C20 H34 Cu2 N4 -","- C80 H136 Cu8 N16 -","4","0.5","","Beh, Eugene S.; Tong, Liuchuan; Gordon, Roy G.","Synthesis of 5,5-Bicyclic Amidines as Ligands for Thermally Stable Vapor Deposition Precursors","Organometallics","2017","36","8","1453","","10.1021/acs.organomet.6b00954","","","0.71073","MoKα","","0.0424","0.0402","","","0.1059","0.1075","","","","","","1.038","","","","has coordinates","196043","2020-10-21","18:00:00",""
"4087281","10.542","0.003","11.178","0.004","13.744","0.004","77.07","0.003","89.276","0.004","80.46","0.004","1556.2","0.8","100","2","100","2","","","","","","","","7","P -1","-P 1","2","","","","- C30 H30 Fe2 N O5 P S2 -","- C30 H30 Fe2 N O5 P S2 -","- C60 H60 Fe4 N2 O10 P2 S4 -","2","1","","He, Jiao; Deng, Cheng-Long; Li, Yao; Li, Yu-Long; Wu, Yu; Zou, Li-Ke; Mu, Chao; Luo, Qiang; Xie, Bin; Wei, Jian; Hu, Jing-Wen; Zhao, Pei-Hua; Zheng, Wen","A New Route to the Synthesis of Phosphine-Substituted Diiron Aza- and Oxadithiolate Complexes","Organometallics","2017","36","7","1322","","10.1021/acs.organomet.7b00040","","","0.71073","MoKα","","0.0284","0.0249","","","0.0615","0.0633","","","","","","1.061","","","","has coordinates","196044","2020-10-21","18:00:00",""
"4087282","10.5529","0.0016","11.1905","0.0017","13.644","0.002","77.09","0.002","89.051","0.002","80.138","0.002","1546.9","0.4","100","2","100","2","","","","","","","","7","P -1","-P 1","2","","","","- C29 H29 Fe2 N2 O5 P S2 -","- C29 H29 Fe2 N2 O5 P S2 -","- C58 H58 Fe4 N4 O10 P2 S4 -","2","1","","He, Jiao; Deng, Cheng-Long; Li, Yao; Li, Yu-Long; Wu, Yu; Zou, Li-Ke; Mu, Chao; Luo, Qiang; Xie, Bin; Wei, Jian; Hu, Jing-Wen; Zhao, Pei-Hua; Zheng, Wen","A New Route to the Synthesis of Phosphine-Substituted Diiron Aza- and Oxadithiolate Complexes","Organometallics","2017","36","7","1322","","10.1021/acs.organomet.7b00040","","","0.71073","MoKα","","0.0269","0.0237","","","0.0615","0.063","","","","","","1.04","","","","has coordinates","196044","2020-10-21","18:00:00",""
"4087283","10.795","0.002","11.511","0.002","15.59","0.003","74.528","0.002","73.304","0.002","68.291","0.002","1695.7","0.5","100","2","100","2","","","","","","","","7","P -1","-P 1","2","","","","- C33 H36 Fe2 N O5 P S2 -","- C33 H36 Fe2 N O5 P S2 -","- C66 H72 Fe4 N2 O10 P2 S4 -","2","1","","He, Jiao; Deng, Cheng-Long; Li, Yao; Li, Yu-Long; Wu, Yu; Zou, Li-Ke; Mu, Chao; Luo, Qiang; Xie, Bin; Wei, Jian; Hu, Jing-Wen; Zhao, Pei-Hua; Zheng, Wen","A New Route to the Synthesis of Phosphine-Substituted Diiron Aza- and Oxadithiolate Complexes","Organometallics","2017","36","7","1322","","10.1021/acs.organomet.7b00040","","","0.71073","MoKα","","0.0276","0.0246","","","0.0678","0.0693","","","","","","1.078","","","","has coordinates","196044","2020-10-21","18:00:00",""
"4087284","9.7762","0.001","11.2492","0.0011","16.6535","0.0017","92.112","0.001","106.397","0.001","115.604","0.001","1557.5","0.3","100","2","100","2","","","","","","","","7","P -1","-P 1","2","","","","- C29 H28 Fe2 N O5 P S3 -","- C29 H28 Fe2 N O5 P S3 -","- C58 H56 Fe4 N2 O10 P2 S6 -","2","1","","He, Jiao; Deng, Cheng-Long; Li, Yao; Li, Yu-Long; Wu, Yu; Zou, Li-Ke; Mu, Chao; Luo, Qiang; Xie, Bin; Wei, Jian; Hu, Jing-Wen; Zhao, Pei-Hua; Zheng, Wen","A New Route to the Synthesis of Phosphine-Substituted Diiron Aza- and Oxadithiolate Complexes","Organometallics","2017","36","7","1322","","10.1021/acs.organomet.7b00040","","","0.71073","MoKα","","0.0276","0.0232","","","0.0537","0.056","","","","","","1.028","","","","has coordinates","196044","2020-10-21","18:00:00",""
"4087285","9.8905","0.0011","11.5016","0.0013","16.9062","0.0019","79.062","0.001","75.553","0.001","66.87","0.001","1703.6","0.3","100","2","100","2","","","","","","","","7","P -1","-P 1","2","","","","- C32 H34 Fe2 N O5 P S3 -","- C32 H34 Fe2 N O5 P S3 -","- C64 H68 Fe4 N2 O10 P2 S6 -","2","1","","He, Jiao; Deng, Cheng-Long; Li, Yao; Li, Yu-Long; Wu, Yu; Zou, Li-Ke; Mu, Chao; Luo, Qiang; Xie, Bin; Wei, Jian; Hu, Jing-Wen; Zhao, Pei-Hua; Zheng, Wen","A New Route to the Synthesis of Phosphine-Substituted Diiron Aza- and Oxadithiolate Complexes","Organometallics","2017","36","7","1322","","10.1021/acs.organomet.7b00040","","","0.71073","MoKα","","0.0304","0.0256","","","0.0696","0.0729","","","","","","1.118","","","","has coordinates","196044","2020-10-21","18:00:00",""
"4087286","9.2246","0.0009","10.1918","0.001","17.257","0.0018","73.721","0.001","77.661","0.001","88.334","0.001","1520.6","0.3","100","2","100","2","","","","","","","","7","P -1","-P 1","2","","","","- C31 H25 Fe2 N2 O5 P S2 -","- C31 H25 Fe2 N2 O5 P S2 -","- C62 H50 Fe4 N4 O10 P2 S4 -","2","1","","He, Jiao; Deng, Cheng-Long; Li, Yao; Li, Yu-Long; Wu, Yu; Zou, Li-Ke; Mu, Chao; Luo, Qiang; Xie, Bin; Wei, Jian; Hu, Jing-Wen; Zhao, Pei-Hua; Zheng, Wen","A New Route to the Synthesis of Phosphine-Substituted Diiron Aza- and Oxadithiolate Complexes","Organometallics","2017","36","7","1322","","10.1021/acs.organomet.7b00040","","","0.71073","MoKα","","0.0302","0.0262","","","0.0639","0.0662","","","","","","1.078","","","","has coordinates","196044","2020-10-21","18:00:00",""
"4087287","12.5699","0.0006","10.467","0.0005","17.8722","0.0009","90","","103.976","0.001","90","","2281.82","0.19","100","2","100","2","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C21 H18 Fe2 N O5 P S2 -","- C21 H18 Fe2 N O5 P S2 -","- C84 H72 Fe8 N4 O20 P4 S8 -","4","1","","He, Jiao; Deng, Cheng-Long; Li, Yao; Li, Yu-Long; Wu, Yu; Zou, Li-Ke; Mu, Chao; Luo, Qiang; Xie, Bin; Wei, Jian; Hu, Jing-Wen; Zhao, Pei-Hua; Zheng, Wen","A New Route to the Synthesis of Phosphine-Substituted Diiron Aza- and Oxadithiolate Complexes","Organometallics","2017","36","7","1322","","10.1021/acs.organomet.7b00040","","","0.71073","MoKα","","0.0224","0.0194","","","0.0438","0.0453","","","","","","1.026","","","","has coordinates","196044","2020-10-21","18:00:00",""
"4087288","8.269","0.002","9.059","0.003","18.252","0.005","102.405","0.003","94.178","0.003","96.563","0.003","1319.9","0.7","100","2","100","2","","","","","","","","7","P -1","-P 1","2","","","","- C25 H16 F3 Fe2 O6 P S2 -","- C25 H16 F3 Fe2 O6 P S2 -","- C50 H32 F6 Fe4 O12 P2 S4 -","2","1","","He, Jiao; Deng, Cheng-Long; Li, Yao; Li, Yu-Long; Wu, Yu; Zou, Li-Ke; Mu, Chao; Luo, Qiang; Xie, Bin; Wei, Jian; Hu, Jing-Wen; Zhao, Pei-Hua; Zheng, Wen","A New Route to the Synthesis of Phosphine-Substituted Diiron Aza- and Oxadithiolate Complexes","Organometallics","2017","36","7","1322","","10.1021/acs.organomet.7b00040","","","0.71073","MoKα","","0.0402","0.0347","","","0.0854","0.0878","","","","","","1.055","","","","has coordinates","196044","2020-10-21","18:00:00",""
"4087289","8.4932","0.0017","18.346","0.004","18.907","0.004","90","","97.19","0.03","90","","2922.9","1.1","100","2","100","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C28 H25 Fe2 N0 O6 P S2 -","- C28 H25 Fe2 O6 P S2 -","- C112 H100 Fe8 O24 P4 S8 -","4","1","","He, Jiao; Deng, Cheng-Long; Li, Yao; Li, Yu-Long; Wu, Yu; Zou, Li-Ke; Mu, Chao; Luo, Qiang; Xie, Bin; Wei, Jian; Hu, Jing-Wen; Zhao, Pei-Hua; Zheng, Wen","A New Route to the Synthesis of Phosphine-Substituted Diiron Aza- and Oxadithiolate Complexes","Organometallics","2017","36","7","1322","","10.1021/acs.organomet.7b00040","","","0.71073","MoKα","","0.038","0.0312","","","0.0808","0.0846","","","","","","1.01","","","","has coordinates","196044","2020-10-21","18:00:00",""
"4087290","33.5944","0.0006","18.9208","0.0004","16.8763","0.0003","90","","90.5685","0.0016","90","","10726.6","0.4","85","2","85","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C28 H39 Cu F2 N2 -","- C28 H39 Cu F2 N2 -","- C448 H624 Cu16 F32 N32 -","16","2","","Bour, James R.; Kariofillis, Stavros K.; Sanford, Melanie S.","Synthesis, Reactivity, and Catalytic Applications of Isolable (NHC)Cu(CHF2) Complexes","Organometallics","2017","36","7","1220","","10.1021/acs.organomet.7b00025","","","1.54184","CuKα","","0.1272","0.117","","","0.3066","0.3136","","","","","","1.415","","","","has coordinates,has disorder","196045","2020-10-21","18:00:00",""
"4087291","33.4867","0.0004","18.9453","0.0002","16.8213","0.0002","90","","90.416","0.001","90","","10671.4","0.2","85","2","85","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C28 H37 Cu F2 N2 -","- C28 H37 Cu F2 N2 -","- C448 H592 Cu16 F32 N32 -","16","2","","Bour, James R.; Kariofillis, Stavros K.; Sanford, Melanie S.","Synthesis, Reactivity, and Catalytic Applications of Isolable (NHC)Cu(CHF2) Complexes","Organometallics","2017","36","7","1220","","10.1021/acs.organomet.7b00025","","","1.54184","CuKα","","0.064","0.0497","","","0.1144","0.1222","","","","","","1.063","","","","has coordinates,has disorder","196045","2020-10-21","18:00:00",""
"4087292","15.5419","0.0012","12.8656","0.0011","20.1928","0.0016","90","","90","","90","","4037.7","0.6","100","2","100","2","","","","","","","","7","P n a 21","P 2c -2n","33","","","","- C47 H44 F3 Ir O3 P2 S -","- C47 H44 F3 Ir O3 P2 S -","- C188 H176 F12 Ir4 O12 P8 S4 -","4","1","","Blaya, María; Bautista, Delia; Gil-Rubio, Juan; Vicente, José","Perfluoroalkylation of Coordinated Ethene in Rh(I) and Ir(I) Complexes. Catalytic Addition of Iodoperfluoroalkanes to Ethene","Organometallics","2017","36","7","1245","","10.1021/acs.organomet.6b00929","","","0.71073","MoKα","","0.0236","0.0218","","","0.0482","0.0488","","","","","","1.004","","","","has coordinates","196046","2020-10-21","18:00:00",""
"4087293","8.4615","0.0006","11.5472","0.0008","18.7929","0.0012","91.751","0.002","95.671","0.002","100.741","0.002","1792.9","0.2","100","2","100","2","","","","","","","","7","P -1","-P 1","2","","","","- C35 H34 F10 Ir O4 P S -","- C35 H34 F10 Ir O4 P S -","- C70 H68 F20 Ir2 O8 P2 S2 -","2","1","","Blaya, María; Bautista, Delia; Gil-Rubio, Juan; Vicente, José","Perfluoroalkylation of Coordinated Ethene in Rh(I) and Ir(I) Complexes. Catalytic Addition of Iodoperfluoroalkanes to Ethene","Organometallics","2017","36","7","1245","","10.1021/acs.organomet.6b00929","","","0.71073","MoKα","","0.0316","0.028","","","0.0614","0.0626","","","","","","1.049","","","","has coordinates","196046","2020-10-21","18:00:00",""
"4087294","11.043","0.005","16.148","0.007","13.585","0.006","90","","97.286","0.008","90","","2402.9","1.8","100","2","100","2","","","","","","","","8","P 1 21/n 1","-P 2yn","14","","","","- C17 H33 Cl F3 O3 P2 Rh S -","- C17 H33 Cl F3 O3 P2 Rh S -","- C68 H132 Cl4 F12 O12 P8 Rh4 S4 -","4","1","","Blaya, María; Bautista, Delia; Gil-Rubio, Juan; Vicente, José","Perfluoroalkylation of Coordinated Ethene in Rh(I) and Ir(I) Complexes. Catalytic Addition of Iodoperfluoroalkanes to Ethene","Organometallics","2017","36","7","1245","","10.1021/acs.organomet.6b00929","","","0.71073","MoKα","","0.0604","0.0403","","","0.0866","0.0943","","","","","","1.017","","","","has coordinates","196046","2020-10-21","18:00:00",""
"4087295","12.1205","0.0013","14.3933","0.0015","11.6847","0.0012","90","","105.707","0.002","90","","1962.3","0.4","100","2","100","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C32 H38 F18 I2 Ir2 -","- C32 H38 F18 I2 Ir2 -","- C64 H76 F36 I4 Ir4 -","2","0.5","","Blaya, María; Bautista, Delia; Gil-Rubio, Juan; Vicente, José","Perfluoroalkylation of Coordinated Ethene in Rh(I) and Ir(I) Complexes. Catalytic Addition of Iodoperfluoroalkanes to Ethene","Organometallics","2017","36","7","1245","","10.1021/acs.organomet.6b00929","","","0.71073","MoKα","","0.0488","0.0456","","","0.0972","0.0979","","","","","","1.425","","","","has coordinates,has disorder","196046","2020-10-21","18:00:00",""
"4087296","8.9294","0.0005","9.026","0.0005","15.6529","0.0008","104.318","0.002","95.468","0.002","112.444","0.002","1104.15","0.11","173","2","173","2","","","","","","","","5","P -1","-P 1","2","","","","- C19 H37 F Ni P2 -","- C19 H37 F Ni P2 -","- C38 H74 F2 Ni2 P4 -","2","1","","Baird, Drake A.; Jamal, S.; Johnson, Samuel A.","Influence of the Transmetalating Agent in Difficult Coupling Reactions: Control in the Selectivity of C‒F Bond Activation by Ni(0) Complexes in the Presence of AlMe3","Organometallics","2017","36","7","1436","","10.1021/acs.organomet.7b00165","","x-ray","0.71073","MoKα","","0.1149","0.0549","","","0.125","0.1439","","","","","","1.058","","","","has coordinates","196047","2020-10-21","18:00:00",""
"4087297","8.8535","0.0004","9.1739","0.0004","14.9537","0.0007","95.444","0.001","97.734","0.001","111.06","0.001","1109.56","0.09","143","2","143","2","","","","","","","synthesized","5","P -1","-P 1","2","","","","- C19 H37 F Ni P2 -","- C19 H37 F Ni P2 -","- C38 H74 F2 Ni2 P4 -","2","1","","Baird, Drake A.; Jamal, S.; Johnson, Samuel A.","Influence of the Transmetalating Agent in Difficult Coupling Reactions: Control in the Selectivity of C‒F Bond Activation by Ni(0) Complexes in the Presence of AlMe3","Organometallics","2017","36","7","1436","","10.1021/acs.organomet.7b00165","","x-ray","0.71073","MoKα","","0.0591","0.0444","","","0.1067","0.1153","","","","","","1.044","","","","has coordinates","196047","2020-10-21","18:00:00",""
"4087298","8.7209","0.0004","9.1999","0.0005","14.9603","0.0007","96.243","0.002","96.832","0.002","111.361","0.002","1094.78","0.1","150","2","150","2","","","","","","","","5","P -1","-P 1","2","","","","- C19 H37 F Ni P2 -","- C19 H37 F Ni P2 -","- C38 H74 F2 Ni2 P4 -","2","1","","Baird, Drake A.; Jamal, S.; Johnson, Samuel A.","Influence of the Transmetalating Agent in Difficult Coupling Reactions: Control in the Selectivity of C‒F Bond Activation by Ni(0) Complexes in the Presence of AlMe3","Organometallics","2017","36","7","1436","","10.1021/acs.organomet.7b00165","","","0.71073","MoKα","","0.0615","0.041","","","0.076","0.0879","","","","","","1.118","","","","has coordinates","196047","2020-10-21","18:00:00",""
"4087299","23.868","0.002","8.7008","0.0007","10.7163","0.0009","90","","90","","90","","2225.5","0.3","173","2","173","2","","","","","","","","5","P n a 21","P 2c -2n","33","","","","- C19 H36 F2 Ni P2 -","- C19 H36 F2 Ni P2 -","- C76 H144 F8 Ni4 P8 -","4","1","","Baird, Drake A.; Jamal, S.; Johnson, Samuel A.","Influence of the Transmetalating Agent in Difficult Coupling Reactions: Control in the Selectivity of C‒F Bond Activation by Ni(0) Complexes in the Presence of AlMe3","Organometallics","2017","36","7","1436","","10.1021/acs.organomet.7b00165","","x-ray","0.71073","MoKα","","0.0511","0.0345","","","0.073","0.0788","","","","","","1.027","","","","has coordinates","196047","2020-10-21","18:00:00",""
"4087300","9.0188","0.0005","9.0954","0.0005","15.6547","0.0008","105.448","0.001","95.214","0.002","112.341","0.001","1117.95","0.11","173","2","173","2","","","","","","","synthesized","5","P -1","-P 1","2","","","","- C19 H36 F2 Ni P2 -","- C19 H36 F2 Ni P2 -","- C38 H72 F4 Ni2 P4 -","2","1","","Baird, Drake A.; Jamal, S.; Johnson, Samuel A.","Influence of the Transmetalating Agent in Difficult Coupling Reactions: Control in the Selectivity of C–F Bond Activation by Ni(0) Complexes in the Presence of AlMe3","Organometallics","2017","36","7","1436","","10.1021/acs.organomet.7b00165","","x-ray","0.71073","MoKα","","0.0724","0.0412","","","0.0837","0.0945","","","","","","1.025","","","","has coordinates,has disorder","288645","2024-01-03","15:04:00",""
"4087301","12.4069","0.0005","13.6739","0.0006","14.8874","0.0006","107.14","0.001","110.757","0.001","90.258","0.001","2239.99","0.16","173","2","173","2","","","","","","","","5","P -1","-P 1","2","","","","- C19 H36 F2 Ni P2 -","- C19 H36 F2 Ni P2 -","- C76 H144 F8 Ni4 P8 -","4","2","","Baird, Drake A.; Jamal, S.; Johnson, Samuel A.","Influence of the Transmetalating Agent in Difficult Coupling Reactions: Control in the Selectivity of C‒F Bond Activation by Ni(0) Complexes in the Presence of AlMe3","Organometallics","2017","36","7","1436","","10.1021/acs.organomet.7b00165","","x-ray","0.71073","MoKα","","0.0873","0.0457","","","0.0816","0.0928","","","","","","1.043","","","","has coordinates","196047","2020-10-21","18:00:00",""
"4087302","12.3705","0.0013","13.66","0.0013","14.8513","0.0014","106.971","0.003","110.937","0.003","90.913","0.003","2221.4","0.4","100","2","100","2","","","","","","","synthesized","5","P -1","-P 1","2","","","","- C19 H35 F3 Ni P2 -","- C19 H35 F3 Ni P2 -","- C76 H140 F12 Ni4 P8 -","4","2","","Baird, Drake A.; Jamal, S.; Johnson, Samuel A.","Influence of the Transmetalating Agent in Difficult Coupling Reactions: Control in the Selectivity of C‒F Bond Activation by Ni(0) Complexes in the Presence of AlMe3","Organometallics","2017","36","7","1436","","10.1021/acs.organomet.7b00165","","x-ray","0.71073","MoKα","","0.0795","0.0452","","","0.0784","0.0879","","","","","","1.04","","","","has coordinates","196047","2020-10-21","18:00:00",""
"4087303","23.5565","0.0013","8.7672","0.0004","10.6965","0.0006","90","","90","","90","","2209.1","0.2","100","2","100","2","","","","","","","","5","P n a 21","P 2c -2n","33","","","","- C19 H35 F3 Ni P2 -","- C19 H35 F3 Ni P2 -","- C76 H140 F12 Ni4 P8 -","4","1","","Baird, Drake A.; Jamal, S.; Johnson, Samuel A.","Influence of the Transmetalating Agent in Difficult Coupling Reactions: Control in the Selectivity of C‒F Bond Activation by Ni(0) Complexes in the Presence of AlMe3","Organometallics","2017","36","7","1436","","10.1021/acs.organomet.7b00165","","x-ray","0.71073","MoKα","","0.0487","0.0335","","","0.0599","0.0642","","","","","","1.032","","","","has coordinates,has disorder","196047","2020-10-21","18:00:00",""
"4087304","14.324","0.005","10.083","0.004","16.295","0.006","90","","97.989","0.007","90","","2330.6","1.5","123","2","296","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C20 H29 I2 N O3 Ti -","- C19 H31 I2 N O3 Ti -","- C76 H124 I8 N4 O12 Ti4 -","4","1","","See, Xin Yi; Beaumier, Evan P.; Davis-Gilbert, Zachary W; Dunn, Peter L.; Larsen, Jacob A.; Pearce, Adam J.; Wheeler, T. Alex; Tonks, Ian A.","Generation of Ti(II) Alkyne Trimerization Catalysts in the Absence of Strong Metal Reductants.","Organometallics","2017","36","7","1383","1390","10.1021/acs.organomet.7b00096","","","0.71073","MoKα","","0.035","0.0273","","","0.0641","0.0688","","","","","","1.018","","","","has coordinates,has disorder","199588","2020-10-21","18:00:00",""
"4087305","9.4769","0.0007","20.544","0.0013","20.9582","0.0009","90","","95.33","0.004","90","","4062.8","0.4","123","2","123","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","XYS02031","Ti(NTol)(iPr2-N^OSA)2","","- C45 H51 N3 O2 Ti -","- C45 H51 N3 O2 Ti -","- C180 H204 N12 O8 Ti4 -","4","1","","See, Xin Yi; Beaumier, Evan P.; Davis-Gilbert, Zachary W; Dunn, Peter L.; Larsen, Jacob A.; Pearce, Adam J.; Wheeler, T. Alex; Tonks, Ian A.","Generation of Ti(II) Alkyne Trimerization Catalysts in the Absence of Strong Metal Reductants.","Organometallics","2017","36","7","1383","1390","10.1021/acs.organomet.7b00096","","","1.54178","CuKα","","0.0333","0.0319","","","0.0908","0.0919","","","","","","1.056","","","","has coordinates","199588","2020-10-21","18:00:00",""
"4087306","15.516","0.002","14.4749","0.0017","23.531","0.005","90","","104.51","0.013","90","","5116.3","1.4","123","2","123","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","16121_0m","Ti(NTol)(iPr2-N^N)2","","- C57 H77 N5 Ti -","- C57 H77 N5 Ti -","- C228 H308 N20 Ti4 -","4","1","","See, Xin Yi; Beaumier, Evan P.; Davis-Gilbert, Zachary W; Dunn, Peter L.; Larsen, Jacob A.; Pearce, Adam J.; Wheeler, T. Alex; Tonks, Ian A.","Generation of Ti(II) Alkyne Trimerization Catalysts in the Absence of Strong Metal Reductants.","Organometallics","2017","36","7","1383","1390","10.1021/acs.organomet.7b00096","","","1.54178","CuKα","","0.0453","0.0386","","","0.1029","0.1091","","","","","","1.031","","","","has coordinates","199588","2020-10-21","18:00:00",""
"4087307","11.142","0.003","27.43","0.005","12.8602","0.0012","90","","103.355","0.012","90","","3824.1","1.3","123","2","123","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","16115_0m","Ti(NTol)(iPr2-N^N)pyCl","","- C40 H54 Cl N4 Ti -","- C40 H54 Cl N4 Ti -","- C160 H216 Cl4 N16 Ti4 -","4","1","","See, Xin Yi; Beaumier, Evan P.; Davis-Gilbert, Zachary W; Dunn, Peter L.; Larsen, Jacob A.; Pearce, Adam J.; Wheeler, T. Alex; Tonks, Ian A.","Generation of Ti(II) Alkyne Trimerization Catalysts in the Absence of Strong Metal Reductants.","Organometallics","2017","36","7","1383","1390","10.1021/acs.organomet.7b00096","","","1.54178","CuKα","","0.0431","0.0412","","","0.1114","0.1131","","","","","","1.027","","","","has coordinates,has disorder","199588","2020-10-21","18:00:00",""
"4087308","12.9193","0.0005","13.3743","0.0004","17.9921","0.0006","90","","103.854","0.004","90","","3018.36","0.19","200","0.3","200","0.3","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C33 H42 Au Cl N2 -","- C33 H42 Au Cl N2 -","- C132 H168 Au4 Cl4 N8 -","4","1","","Ibáñez, Susana; Poyatos, Macarena; Peris, Eduardo","Gold Catalysts with Polyaromatic-NHC ligands. Enhancement of Activity by Addition of Pyrene","Organometallics","2017","36","7","1447","","10.1021/acs.organomet.7b00172","","","0.71073","MoKα","","0.0386","0.0287","","","0.0657","0.0709","","","","","","1.049","","","","has coordinates","196049","2020-10-21","18:00:00",""
"4087309","21.2606","0.0009","15.3724","0.0007","12.0815","0.0006","90","","106.018","0.005","90","","3795.3","0.3","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C40 H46 Au Cl3 N4 -","- C40 H46 Au Cl3 N4 -","- C160 H184 Au4 Cl12 N16 -","4","1","","Ibáñez, Susana; Poyatos, Macarena; Peris, Eduardo","Gold Catalysts with Polyaromatic-NHC ligands. Enhancement of Activity by Addition of Pyrene","Organometallics","2017","36","7","1447","","10.1021/acs.organomet.7b00172","","","0.71073","MoKα","","0.075","0.0498","","","0.1321","0.1386","","","","","","0.994","","","","has coordinates","196049","2020-10-21","18:00:00",""
"4087310","10.8179","0.0008","29.265","0.002","7.604","0.0006","90","","98.541","0.007","90","","2380.6","0.3","173","2","173.15","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C14 H21 P Pd S10 -","- C14 H21 P Pd S10 -","- C56 H84 P4 Pd4 S40 -","4","1","","Kumar, Sushil; Guyon, Fabrice; Knorr, Michael; Labat, Stéphane; Miqueu, Karinne; Golz, Christopher; Strohmann, Carsten","Experimental and Theoretical Studies on the Mechanism of the C‒S Bond Activation of PdII Thiolate/Thioether Complexes","Organometallics","2017","36","7","1303","","10.1021/acs.organomet.7b00039","","","0.71073","MoKα","","0.0633","0.0471","","","0.1116","0.1229","","","","","","1.144","","","","has coordinates","196050","2020-10-21","18:00:00",""
"4087311","13.4247","0.0003","13.9422","0.0003","19.628","0.0004","90.2309","0.0016","98.3416","0.0017","113.341","0.0018","3329.78","0.13","173","2","173.15","","","","","","","","","6","P -1","-P 1","2","","","","- C53 H43 Cl3 P2 Pd2 S20 -","- C53 H43 Cl3 P2 Pd2 S20 -","- C106 H86 Cl6 P4 Pd4 S40 -","2","1","","Kumar, Sushil; Guyon, Fabrice; Knorr, Michael; Labat, Stéphane; Miqueu, Karinne; Golz, Christopher; Strohmann, Carsten","Experimental and Theoretical Studies on the Mechanism of the C‒S Bond Activation of PdII Thiolate/Thioether Complexes","Organometallics","2017","36","7","1303","","10.1021/acs.organomet.7b00039","","","0.71073","MoKα","","0.0303","0.0245","","","0.0528","0.0556","","","","","","1.076","","","","has coordinates,has disorder","196050","2020-10-21","18:00:00",""
"4087312","16.0938","0.0016","8.6656","0.0007","12.4033","0.0018","90","","116.138","0.013","90","","1552.9","0.3","173","2","173.15","","","","","","","","","3","C 1 2/c 1","-C 2yc","15","","","","- C4 H3 S5 -","- C4 H3 S5 -","- C32 H24 S40 -","8","1","","Kumar, Sushil; Guyon, Fabrice; Knorr, Michael; Labat, Stéphane; Miqueu, Karinne; Golz, Christopher; Strohmann, Carsten","Experimental and Theoretical Studies on the Mechanism of the C‒S Bond Activation of PdII Thiolate/Thioether Complexes","Organometallics","2017","36","7","1303","","10.1021/acs.organomet.7b00039","","","0.71073","MoKα","","0.0358","0.0287","","","0.068","0.0718","","","","","","1.074","","","","has coordinates","196050","2020-10-21","18:00:00",""
"4087313","23.996","0.005","7.3846","0.0015","12.632","0.003","90","","106.68","0.03","90","","2144.2","0.9","100","2","100","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C22 H18 Au Br N6 -","- C22 H18 Au Br N6 -","- C88 H72 Au4 Br4 N24 -","4","0.5","","Johnson, Alice; Gimeno, M. Concepción","Synthesis of Propargyl-Functionalized NHC Gold Complexes","Organometallics","2017","36","7","1278","","10.1021/acs.organomet.7b00012","","","0.71073","MoKα","","0.0553","0.05","","","0.1453","0.1508","","","","","","1.07","","","","has coordinates","196051","2020-10-21","18:00:00",""
"4087314","13.9265","0.0003","13.8933","0.0003","26.2428","0.0007","90","","93.004","0.001","90","","5070.6","0.2","173","2","173","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C15 H34 Cr F6 N3 P Sb -","- C15 H37 Cr F6 N3 P Sb -","- C120 H296 Cr8 F48 N24 P8 Sb8 -","8","2","","Aldrich, Kelly E.; Billow, Brennan S.; Holmes, Daniel; Bemowski, Ross D.; Odom, Aaron L.","Weakly Coordinating yet Ion Paired: Anion Effects on an Internal Rearrangement","Organometallics","2017","36","7","1227","","10.1021/acs.organomet.6b00839","","","1.54178","CuKα","","0.118","0.0974","","","0.2543","0.2647","","","","","","1.112","","","","has coordinates","196052","2020-10-21","18:00:00",""
"4087315","13.1223","0.001","18.1046","0.0013","23.1296","0.0017","90","","95.291","0.001","90","","5471.6","0.7","173","2","173","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C47 H49 B Cr F24 N3 P -","- C47 H49 B Cr F23.9991 N3 P -","- C188 H196 B4 Cr4 F95.9964 N12 P4 -","4","1","","Aldrich, Kelly E.; Billow, Brennan S.; Holmes, Daniel; Bemowski, Ross D.; Odom, Aaron L.","Weakly Coordinating yet Ion Paired: Anion Effects on an Internal Rearrangement","Organometallics","2017","36","7","1227","","10.1021/acs.organomet.6b00839","","","0.71073","MoKα","","0.0928","0.0668","","","0.1711","0.1938","","","","","","1.05","","","","has coordinates,has disorder","196052","2020-10-21","18:00:00",""
"4087316","9.733","0.002","10.254","0.002","27.719","0.006","90","","90","","90","","2766.4","1","173","2","173.15","","","","","","","","","7","P n 21 a","P -2ac -2n","33","","","","- C20 H39 Cr F6 N3 P Sb -","- C20 H39 Cr F6 N3 P Sb -","- C80 H156 Cr4 F24 N12 P4 Sb4 -","4","1","","Aldrich, Kelly E.; Billow, Brennan S.; Holmes, Daniel; Bemowski, Ross D.; Odom, Aaron L.","Weakly Coordinating yet Ion Paired: Anion Effects on an Internal Rearrangement","Organometallics","2017","36","7","1227","","10.1021/acs.organomet.6b00839","","","0.71073","MoKα","","0.0623","0.039","","","0.0657","0.074","","","","","","1.042","","","","has coordinates","255805","2020-10-21","18:00:00",""
"4087317","9.689","0.002","27.36","0.007","10.182","0.003","90","","90","","90","","2699.2","1.2","173","2","173","2","","","","","","","","6","P n a 21","P 2c -2n","33","","","","- C20 H39 Cr F6 N3 P2 -","- C20 H39 Cr F6 N3 P2 -","- C80 H156 Cr4 F24 N12 P8 -","4","1","","Aldrich, Kelly E.; Billow, Brennan S.; Holmes, Daniel; Bemowski, Ross D.; Odom, Aaron L.","Weakly Coordinating yet Ion Paired: Anion Effects on an Internal Rearrangement","Organometallics","2017","36","7","1227","","10.1021/acs.organomet.6b00839","","","0.71073","MoKα","","0.073","0.0476","","","0.1061","0.121","","","","","","1.02","","","","has coordinates","196052","2020-10-21","18:00:00",""
"4087318","15.8366","0.0009","16.5836","0.001","18.8375","0.0011","90","","111.926","0.001","90","","4589.4","0.5","173","2","173","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C44 H39 B Cr F20 N3 P -","- C44 H39 B Cr F20 N3 P -","- C176 H156 B4 Cr4 F80 N12 P4 -","4","1","","Aldrich, Kelly E.; Billow, Brennan S.; Holmes, Daniel; Bemowski, Ross D.; Odom, Aaron L.","Weakly Coordinating yet Ion Paired: Anion Effects on an Internal Rearrangement","Organometallics","2017","36","7","1227","","10.1021/acs.organomet.6b00839","","","0.71073","MoKα","","0.0716","0.0433","","","0.0952","0.1103","","","","","","1.017","","","","has coordinates","196052","2020-10-21","18:00:00",""
"4087319","9.4425","0.0005","15.0132","0.0008","16.8434","0.0009","90","","92.668","0.002","90","","2385.2","0.2","100","2","100","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C26 H35 N Ni O3 -","- C26 H35 N Ni O3 -","- C104 H140 N4 Ni4 O12 -","4","1","","Paul, Ursula S. D.; Radius, Udo","Synthesis and Reactivity of Cyclic (Alkyl)(Amino)Carbene Stabilized Nickel Carbonyl Complexes","Organometallics","2017","36","7","1398","","10.1021/acs.organomet.7b00109","","","0.71073","MoKα","","0.0269","0.0248","","","0.0672","0.0688","","","","","","1.034","","","","has coordinates","196053","2020-10-21","18:00:00",""
"4087320","8.959","0.0006","16.4741","0.0012","18.8994","0.0013","90","","90","","90","","2789.4","0.3","100","2","100","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C30 H43 N Ni O3 -","- C30 H43 N Ni O3 -","- C120 H172 N4 Ni4 O12 -","4","1","","Paul, Ursula S. D.; Radius, Udo","Synthesis and Reactivity of Cyclic (Alkyl)(Amino)Carbene Stabilized Nickel Carbonyl Complexes","Organometallics","2017","36","7","1398","","10.1021/acs.organomet.7b00109","","","0.71073","MoKα","","0.0583","0.051","","","0.1264","0.1315","","","","","","1.02","","","","has coordinates","196053","2020-10-21","18:00:00",""
"4087321","10.1998","0.0009","20.166","0.0017","20.2899","0.0018","80.047","0.004","77.268","0.004","82.493","0.004","3990.9","0.6","100","2","100","2","","","","","","","","4","P -1","-P 1","2","","","","- C47 H70 N2 O -","- C47 H70 N2 O -","- C188 H280 N8 O4 -","4","2","","Paul, Ursula S. D.; Radius, Udo","Synthesis and Reactivity of Cyclic (Alkyl)(Amino)Carbene Stabilized Nickel Carbonyl Complexes","Organometallics","2017","36","7","1398","","10.1021/acs.organomet.7b00109","","","0.71073","MoKα","","0.1731","0.0655","","","0.1351","0.1772","","","","","","0.933","","","","has coordinates","196053","2020-10-21","18:00:00",""
"4087322","21.2791","0.0019","10.7542","0.001","24.22","0.003","90","","112.737","0.003","90","","5111.8","0.9","100","2","100","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C61 H86 N2 Ni O -","- C61 H86 N2 Ni O -","- C244 H344 N8 Ni4 O4 -","4","0.5","","Paul, Ursula S. D.; Radius, Udo","Synthesis and Reactivity of Cyclic (Alkyl)(Amino)Carbene Stabilized Nickel Carbonyl Complexes","Organometallics","2017","36","7","1398","","10.1021/acs.organomet.7b00109","","","0.71073","MoKα","","0.039","0.0336","","","0.0856","0.0896","","","","","","1.046","","","","has coordinates","196053","2020-10-21","18:00:00",""
"4087323","10.4387","0.0006","14.1171","0.0008","15.0076","0.0009","90","","96.393","0.002","90","","2197.8","0.2","100","2","100","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C23 H36 Br N Ni -","- C23 H36 Br N Ni -","- C92 H144 Br4 N4 Ni4 -","4","1","","Paul, Ursula S. D.; Radius, Udo","Synthesis and Reactivity of Cyclic (Alkyl)(Amino)Carbene Stabilized Nickel Carbonyl Complexes","Organometallics","2017","36","7","1398","","10.1021/acs.organomet.7b00109","","","0.71073","MoKα","","0.0225","0.0197","","","0.0494","0.0506","","","","","","1.062","","","","has coordinates,has disorder","196053","2020-10-21","18:00:00",""
"4087324","10.7904","0.0009","15.2337","0.0013","14.7013","0.0013","90","","98.366","0.002","90","","2390.9","0.4","100","2","100","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C25 H40 Br N Ni -","- C25 H40 Br N Ni -","- C100 H160 Br4 N4 Ni4 -","4","1","","Paul, Ursula S. D.; Radius, Udo","Synthesis and Reactivity of Cyclic (Alkyl)(Amino)Carbene Stabilized Nickel Carbonyl Complexes","Organometallics","2017","36","7","1398","","10.1021/acs.organomet.7b00109","","","0.71073","MoKα","","0.0538","0.041","","","0.0896","0.0963","","","","","","1.15","","","","has coordinates,has disorder","196053","2020-10-21","18:00:00",""
"4087325","15.7561","0.0009","15.8387","0.0009","18.7715","0.001","90","","90","","90","","4684.5","0.5","100","2","100","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C24 H38 Cl N Ni -","- C24 H38 Cl N Ni -","- C192 H304 Cl8 N8 Ni8 -","8","1","","Paul, Ursula S. D.; Radius, Udo","Synthesis and Reactivity of Cyclic (Alkyl)(Amino)Carbene Stabilized Nickel Carbonyl Complexes","Organometallics","2017","36","7","1398","","10.1021/acs.organomet.7b00109","","","0.71073","MoKα","","0.0532","0.0353","","","0.0775","0.0869","","","","","","1.038","","","","has coordinates,has disorder","196053","2020-10-21","18:00:00",""
"4087326","8.9013","0.0013","9.3188","0.0014","14.652","0.002","78.748","0.004","88.349","0.004","64.816","0.004","1076.7","0.3","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","","","- C46 H72 Br2 N2 Ni2 -","- C46 H72 Br2 N2 Ni2 -","- C46 H72 Br2 N2 Ni2 -","1","0.5","","Paul, Ursula S. D.; Radius, Udo","Synthesis and Reactivity of Cyclic (Alkyl)(Amino)Carbene Stabilized Nickel Carbonyl Complexes","Organometallics","2017","36","7","1398","","10.1021/acs.organomet.7b00109","","","0.71073","MoKα","","0.058","0.0476","","","0.1241","0.1282","","","","","","1.101","","","","has coordinates","196053","2020-10-21","18:00:00",""
"4087327","14.2787","0.0007","10.5264","0.0005","21.8552","0.001","90","","105.417","0.007","90","","3166.7","0.3","173","","173","","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C23 H19 Br Mn O2 P -","- C23 H19 Br Mn O2 P -","- C138 H114 Br6 Mn6 O12 P6 -","6","3","","Ogasawara, Masamichi; Tseng, Ya-Yi; Liu, Qiang; Chang, Ninghui; Yang, Xicheng; Takahashi, Tamotsu; Kamikawa, Ken","Kinetic Resolution of Planar-Chiral (η5-Bromocyclopentadienyl)manganese(I) Complexes by Molybdenum-Catalyzed Asymmetric Ring-Closing Metathesis","Organometallics","2017","36","7","1430","","10.1021/acs.organomet.7b00125","","","0.71075","MoKα","","0.0438","0.0293","","","0.0521","0.0551","","","","","","0.978","","","","has coordinates","196054","2020-10-21","18:00:00",""
"4087328","12.812","0.004","23.795","0.008","31.24","0.02","90","","90","","90","","9524","8","200","2","200","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","Moris456 (Tapas)","","","- C35 H74 N6 Si6 U -","- C35 H74 N6 Si6 U -","- C280 H592 N48 Si48 U8 -","8","1","","Ghatak, Tapas; Fridman, Natalia; Eisen, Moris S.","Actinide Complexes Possessing Six-Membered N-Heterocyclic Iminato Moieties: Synthesis and Reactivity","Organometallics","2017","36","7","1296","","10.1021/acs.organomet.7b00037","","","0.71073","MoKα","","0.0538","0.0338","","","0.0802","0.0902","","","","","","1.054","","","","has coordinates","196055","2020-10-21","18:00:00",""
"4087329","11.348","0.0002","20.57","0.0005","22.729","0.0005","90","","90","","90","","5305.6","0.2","200","2","200","2","","","","","","","","5","P c a 21","P 2c -2ac","29","Moris470 (Tapas)","","","- C43 H86 N6 Si6 U -","- C43 H86 N6 Si6 U -","- C172 H344 N24 Si24 U4 -","4","1","","Ghatak, Tapas; Fridman, Natalia; Eisen, Moris S.","Actinide Complexes Possessing Six-Membered N-Heterocyclic Iminato Moieties: Synthesis and Reactivity","Organometallics","2017","36","7","1296","","10.1021/acs.organomet.7b00037","","","0.71073","MoKα","","0.0324","0.0283","","","0.0627","0.064","","","","","","1.072","","","","has coordinates","196056","2020-10-21","18:00:00",""
"4087330","12.838","0.005","24.04","0.02","31.291","0.011","90","","90","","90","","9657","9","200","2","200","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","Moris480 (Tapas)","","","- C35 H74 N6 Si6 Th -","- C35 H74 N6 Si6 Th -","- C280 H592 N48 Si48 Th8 -","8","1","","Ghatak, Tapas; Fridman, Natalia; Eisen, Moris S.","Actinide Complexes Possessing Six-Membered N-Heterocyclic Iminato Moieties: Synthesis and Reactivity","Organometallics","2017","36","7","1296","","10.1021/acs.organomet.7b00037","","","0.71073","MoKα","","0.0604","0.038","","","0.0908","0.1025","","","","","","1.034","","","","has coordinates","196057","2020-10-21","18:00:00",""
"4087331","11.41","0.0008","20.665","0.004","22.655","0.005","90","","90","","90","","5341.8","1.6","200","2","200","2","","","","","","","","5","P c a 21","P 2c -2ac","29","Moris481 (Tapas)","","","- C43 H86 N6 Si6 Th -","- C43 H86 N6 Si6 Th -","- C172 H344 N24 Si24 Th4 -","4","1","","Ghatak, Tapas; Fridman, Natalia; Eisen, Moris S.","Actinide Complexes Possessing Six-Membered N-Heterocyclic Iminato Moieties: Synthesis and Reactivity","Organometallics","2017","36","7","1296","","10.1021/acs.organomet.7b00037","","","0.71073","MoKα","","0.0323","0.0274","","","0.0658","0.0678","","","","","","1.045","","","","has coordinates","196058","2020-10-21","18:00:00",""
"4087332","28.8593","0.0004","12.2845","0.0002","33.8899","0.0005","90","","104.681","0.001","90","","11622.5","0.3","141","2","140","1","","","","","","","","5","I 2/c 1 1","-I 2yc","15","","","","- C31 H38 Au N O2 -","- C31 H37 Au N O2 -","- C496 H592 Au16 N16 O32 -","16","2","","Chambrier, Isabelle; Roşca, Dragoş-Adrian; Fernandez-Cestau, Julio; Hughes, David L.; Budzelaar, Peter H. M.; Bochmann, Manfred","Formation of Gold(III) Alkyls from Gold Alkoxide Complexes.","Organometallics","2017","36","7","1358","1364","10.1021/acs.organomet.7b00077","","","0.71073","Mo-Kα","","0.0875","0.0595","","","0.1309","0.1436","","","","","","1.088","","","","has coordinates,has disorder","196059","2020-10-21","18:00:00",""
"4087333","10.9531","0.0002","15.0793","0.0004","20.4439","0.0004","90","","90","","90","","3376.62","0.13","200","2","200","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C36 H48 O P Sm -","- C36 H48 O P Sm -","- C144 H192 O4 P4 Sm4 -","4","1","","Pushkarevsky, Nikolay A.; Ilyin, Igor Yu.; Petrov, Pavel A.; Samsonenko, Denis G.; Ryzhikov, Maxim R.; Roesky, Peter W.; Konchenko, Sergey N.","Different Reductive Reactivities of SmCpx2(THF)n (Cpx = C5Me5 and C5H3tBu2) Samarocenes toward P2Ph4: THF Ring-Opening and Ligand-Exchange Pathways","Organometallics","2017","36","7","1287","","10.1021/acs.organomet.7b00014","","x-ray","0.71073","MoKα","","0.028","0.0255","","","0.0622","0.0632","","","","","","1.05","","","","has coordinates","196060","2020-10-21","18:00:00",""
"4087334","10.6426","0.0003","11.5158","0.0003","13.8236","0.0006","73.301","0.003","87.674","0.003","84.906","0.002","1616.13","0.1","130","2","130","2","","","","","","","","5","P -1","-P 1","2","","","","- C72 H96 O2 P2 Sm2 -","- C72 H96 O2 P2 Sm2 -","- C72 H96 O2 P2 Sm2 -","1","0.5","","Pushkarevsky, Nikolay A.; Ilyin, Igor Yu.; Petrov, Pavel A.; Samsonenko, Denis G.; Ryzhikov, Maxim R.; Roesky, Peter W.; Konchenko, Sergey N.","Different Reductive Reactivities of SmCpx2(THF)n (Cpx = C5Me5 and C5H3tBu2) Samarocenes toward P2Ph4: THF Ring-Opening and Ligand-Exchange Pathways","Organometallics","2017","36","7","1287","","10.1021/acs.organomet.7b00014","","x-ray","0.71073","MoKα","","0.0293","0.0247","","","0.0497","0.0525","","","","","","1.065","","","","has coordinates","196060","2020-10-21","18:00:00",""
"4087335","15.39253","0.00016","10.93288","0.00011","20.4512","0.0002","90","","90.9818","0.0009","90","","3441.12","0.06","130","2","130","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C38 H52 P Sm -","- C38 H52 P Sm -","- C152 H208 P4 Sm4 -","4","1","","Pushkarevsky, Nikolay A.; Ilyin, Igor Yu.; Petrov, Pavel A.; Samsonenko, Denis G.; Ryzhikov, Maxim R.; Roesky, Peter W.; Konchenko, Sergey N.","Different Reductive Reactivities of SmCpx2(THF)n (Cpx = C5Me5 and C5H3tBu2) Samarocenes toward P2Ph4: THF Ring-Opening and Ligand-Exchange Pathways","Organometallics","2017","36","7","1287","","10.1021/acs.organomet.7b00014","","x-ray","0.71073","MoKα","","0.0339","0.0273","","","0.0603","0.0631","","","","","","1.053","","","","has coordinates","196060","2020-10-21","18:00:00",""
"4087336","10.7761","0.0001","19.3978","0.0002","17.7525","0.0002","90","","104.453","0.001","90","","3593.41","0.07","130","2","130","2","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","","","- C39 H63 Sm -","- C39 H63 Sm -","- C156 H252 Sm4 -","4","1","","Pushkarevsky, Nikolay A.; Ilyin, Igor Yu.; Petrov, Pavel A.; Samsonenko, Denis G.; Ryzhikov, Maxim R.; Roesky, Peter W.; Konchenko, Sergey N.","Different Reductive Reactivities of SmCpx2(THF)n (Cpx = C5Me5 and C5H3tBu2) Samarocenes toward P2Ph4: THF Ring-Opening and Ligand-Exchange Pathways","Organometallics","2017","36","7","1287","","10.1021/acs.organomet.7b00014","","x-ray","0.71073","MoKα","","0.035","0.0245","","","0.0521","0.0558","","","","","","1.014","","","","has coordinates","196060","2020-10-21","18:00:00",""
"4087337","14.8045","0.0002","19.2163","0.0002","23.241","0.0003","66.2551","0.0011","81.29","0.0011","72.3002","0.0012","5762.39","0.14","130","2","130","2","","","","","","","","4","P -1","-P 1","2","","","","- C63 H83 P2 Sm2 -","- C63 H83 P2 Sm2 -","- C252 H332 P8 Sm8 -","4","2","","Pushkarevsky, Nikolay A.; Ilyin, Igor Yu.; Petrov, Pavel A.; Samsonenko, Denis G.; Ryzhikov, Maxim R.; Roesky, Peter W.; Konchenko, Sergey N.","Different Reductive Reactivities of SmCpx2(THF)n (Cpx = C5Me5 and C5H3tBu2) Samarocenes toward P2Ph4: THF Ring-Opening and Ligand-Exchange Pathways","Organometallics","2017","36","7","1287","","10.1021/acs.organomet.7b00014","","x-ray","0.71073","MoKα","","0.0556","0.0389","","","0.0785","0.0847","","","","","","1.143","","","","has coordinates,has disorder","196060","2020-10-21","18:00:00",""
"4087338","9.11","0.0018","25.46","0.005","9.72","0.0019","90","","112.37","0.03","90","","2084.8","0.8","100","2","100","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C21 H20 Cl2 N4 Pd -","- C21 H20 Cl2 N4 Pd -","- C84 H80 Cl8 N16 Pd4 -","4","1","","Astakhov, Alexander V.; Khazipov, Oleg V.; Chernenko, Andrey Yu.; Pasyukov, Dmitry V.; Kashin, Alexey S.; Gordeev, Evgeniy G.; Khrustalev, Victor N.; Chernyshev, Victor M.; Ananikov, Valentine P.","A New Mode of Operation of Pd-NHC Systems Studied in a Catalytic Mizoroki‒Heck Reaction","Organometallics","2017","36","10","1981","","10.1021/acs.organomet.7b00184","","","0.9699","synchrotron","","0.0851","0.069","","","0.1614","0.1744","","","","","","1.03","","","","has coordinates","197349","2020-10-21","18:00:00",""
"4087339","15.5396","0.0008","20.2487","0.001","25.5041","0.0013","90","","101.408","0.002","90","","7866.5","0.7","100","2","100","2","","","","","","","","8","P 1 21/n 1","-P 2yn","14","","","","- C61 H84 Cl4 F6 N6 O8 Pd2 S2 -","- C61 H84 Cl4 F6 N6 O8 Pd2 S2 -","- C244 H336 Cl16 F24 N24 O32 Pd8 S8 -","4","1","","Zhai, Feng; Solomon, Joseph B.; Jordan, Richard F.","Copolymerization of Ethylene with Acrylate Monomers by Amide-Functionalized α-Diimine Pd Catalysts","Organometallics","2017","36","9","1873","","10.1021/acs.organomet.7b00209","","","0.71073","MoKα","","0.1056","0.0512","","","0.1011","0.1175","","","","","","1.026","","","","has coordinates,has disorder","197350","2020-10-21","18:00:00",""
"4087340","21.5758","0.0018","14.2713","0.0012","18.9212","0.0015","90","","115.547","0.002","90","","5256.5","0.8","100","2","100","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C52 H51 Cl10 N3 O Pd -","- C52 H51 Cl10 N3 O Pd -","- C208 H204 Cl40 N12 O4 Pd4 -","4","1","","Zhai, Feng; Solomon, Joseph B.; Jordan, Richard F.","Copolymerization of Ethylene with Acrylate Monomers by Amide-Functionalized α-Diimine Pd Catalysts","Organometallics","2017","36","9","1873","","10.1021/acs.organomet.7b00209","","","0.71073","MoKα","","0.115","0.0953","","","0.203","0.2123","","","","","","1.07","","","","has coordinates,has disorder","197351","2020-10-21","18:00:00",""
"4087341","9.9002","0.0002","14.4007","0.0003","14.5416","0.0003","90.411","0.001","98.228","0.001","108.149","0.001","1946.82","0.07","100","2","100","2","","","","","","","","7","P -1","-P 1","2","","","","- C37 H40 B10 Cl2 Ir N3 O -","- C37 H40 B10 Cl2 Ir N3 O -","- C74 H80 B20 Cl4 Ir2 N6 O2 -","2","1","","Nghia, Nguyen Van; Oh, Jihun; Jung, Jaehoon; Lee, Min Hyung","Deboronation-Induced Turn-on Phosphorescent Sensing of Fluorides by Iridium(III) Cyclometalates with o-Carborane","Organometallics","2017","36","14","2573","","10.1021/acs.organomet.7b00139","","","0.71073","MoKα","","0.0335","0.0293","","","0.0689","0.0709","","","","","","1.033","","","","has coordinates,has disorder","199562","2020-10-21","18:00:00",""
"4087342","10.811","0.0007","11.2201","0.0008","13.9894","0.0008","91.363","0.002","105.304","0.002","112.355","0.002","1499","0.17","150","2","150","2","","","","","","","","4","P -1","-P 1","2","","","","- C38 H33 B O -","- C38 H33 B O -","- C76 H66 B2 O2 -","2","1","","Yruegas, Sam; Wilson, Charles; Dutton, Jason L.; Martin, Caleb D.","Ring Opening of Epoxides Induced by Pentaphenylborole","Organometallics","2017","36","14","2581","","10.1021/acs.organomet.7b00152","","","0.71073","MoKα","","0.1314","0.0575","","","0.1279","0.1697","","","","","","1.081","","","","has coordinates","199563","2020-10-21","18:00:00",""
"4087343","10.0123","0.0019","12.407","0.003","14.53","0.003","83.513","0.007","80.646","0.007","86.38","0.006","1767.7","0.7","150","2","150","2","","","","","","","","4","P -1","-P 1","2","","","","- C48 H37 B O -","- C48 H37 B O -","- C96 H74 B2 O2 -","2","1","","Yruegas, Sam; Wilson, Charles; Dutton, Jason L.; Martin, Caleb D.","Ring Opening of Epoxides Induced by Pentaphenylborole","Organometallics","2017","36","14","2581","","10.1021/acs.organomet.7b00152","","","0.71073","MoKα","","0.1142","0.0511","","","0.1076","0.1398","","","","","","1.001","","","","has coordinates","199563","2020-10-21","18:00:00",""
"4087344","11.9143","0.001","12.2386","0.001","13.8415","0.0011","88.644","0.003","72.819","0.003","69.847","0.003","1803.3","0.3","150","2","150","2","","","","","","","","4","P -1","-P 1","2","Cyclohexene oxide product","","","- C46 H45 B O2 -","- C46 H45 B O2 -","- C92 H90 B2 O4 -","2","1","","Yruegas, Sam; Wilson, Charles; Dutton, Jason L.; Martin, Caleb D.","Ring Opening of Epoxides Induced by Pentaphenylborole","Organometallics","2017","36","14","2581","","10.1021/acs.organomet.7b00152","","","0.71073","MoKα","","0.1362","0.0621","","","0.1375","0.1729","","","","","","1.087","","","","has coordinates","199563","2020-10-21","18:00:00",""
"4087345","12.9262","0.0006","12.3641","0.0006","12.7478","0.0006","90","","118.667","0.003","90","","1787.63","0.16","223","2","223","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","DFP-Me","","","- C16 H12 F3 O5 P S -","- C16 H12 F3 O5 P S -","- C64 H48 F12 O20 P4 S4 -","4","1","","Cao, Hongda; Brettell-Adams, Ian A.; Qu, Fengrui; Rupar, Paul A.","Bridged Difurans: Stabilizing Furan with p-Block Elements","Organometallics","2017","36","14","2565","","10.1021/acs.organomet.7b00135","","","0.71073","MoKα","","0.0923","0.0666","","","0.1677","0.1902","","","","","","1.051","","","","has coordinates,has disorder","201701","2020-10-21","18:00:00",""
"4087346","9.5439","0.0004","9.6719","0.0003","15.4504","0.0006","90","","90","","90","","1426.19","0.09","223","2","223","2","","","","","","","","5","P n a 21","P 2c -2n","33","BrDFP","","","- C14 H7 Br2 O3 P -","- C14 H7 Br2 O3 P -","- C56 H28 Br8 O12 P4 -","4","1","","Cao, Hongda; Brettell-Adams, Ian A.; Qu, Fengrui; Rupar, Paul A.","Bridged Difurans: Stabilizing Furan with p-Block Elements","Organometallics","2017","36","14","2565","","10.1021/acs.organomet.7b00135","","","0.71073","MoKα","","0.0336","0.0244","","","0.0498","0.0521","","","","","","1.019","","","","has coordinates","201701","2020-10-21","18:00:00",""
"4087347","12.2918","0.0005","5.908","0.0003","15.9551","0.0007","90","","108.368","0.002","90","","1099.63","0.09","223","2","223","2","","","","","","","","5","P 1 21 1","P 2yb","4","DFP","","","- C20 H25 O3 P Si2 -","- C20 H25 O3 P Si2 -","- C40 H50 O6 P2 Si4 -","2","1","","Cao, Hongda; Brettell-Adams, Ian A.; Qu, Fengrui; Rupar, Paul A.","Bridged Difurans: Stabilizing Furan with p-Block Elements","Organometallics","2017","36","14","2565","","10.1021/acs.organomet.7b00135","","","0.71073","MoKα","","0.0431","0.0357","","","0.0799","0.0841","","","","","","1.033","","","","has coordinates","201701","2020-10-21","18:00:00",""
"4089175","12.5318","0.0008","13.0932","0.0011","15.9653","0.001","99.39","0.006","101.138","0.005","116.048","0.007","2215.9","0.3","173","","173","","","","","","","","","7","P -1","-P 1","2","","","","- C42 H44 Cl5 O P3 Ru Si -","- C42 H44 Cl5 O P3 Ru Si -","- C84 H88 Cl10 O2 P6 Ru2 Si2 -","2","1","","Greenacre, Victoria K.; Day, Iain J.; Crossley, Ian R.","Hydrochlorination of Ruthenaphosphaalkenyls: Unexpectedly Facile Access to Alkylchlorohydrophosphane Complexes","Organometallics","2017","36","2","435","","10.1021/acs.organomet.6b00829","","","1.54184","CuKα","","0.1022","0.0754","","","0.1955","0.2295","","","","","","1.034","","","","has coordinates,has disorder","238018","2020-10-21","18:00:00",""
"4089184","10.564","0.003","23.741","0.009","15.12","0.006","90","","90.179","0.013","90","","3792","2","110","","110","","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C39 H46 F6 N3 P3 Ru -","- C39 H46 F6 N3 P3 Ru -","- C156 H184 F24 N12 P12 Ru4 -","4","1","","Stubbs, James M.; Hazlehurst, Richard J.; Boyle, Paul D.; Blacquiere, Johanna M.","Catalytic Acceptorless Dehydrogenation of Amines with Ru(PR2NR′2) and Ru(dppp) Complexes","Organometallics","2017","36","9","1692","","10.1021/acs.organomet.6b00870","","","0.71073","MoKα","","0.1224","0.068","","","0.1481","0.1737","","","","","","1.04","","","","has coordinates","238024","2020-10-21","18:00:00",""
"4089185","8.3387","0.0017","11.621","0.002","15.844","0.003","94.46","0.03","93.61","0.03","105.93","0.03","1466.2","0.5","180","2","180","2","","","","","","","","5","P -1","-P 1","2","","","","- C32 H39 Co N P3 -","- C32 H39 Co N P3 -","- C64 H78 Co2 N2 P6 -","2","1","","Xing, Junyang; Sun, Hongjian; Xue, Benjing; Li, Xiaoyan; Fuhr, Olaf; Fenske, Dieter","Formation of 2-Azaallyl Cobalt(I) Complexes by Csp3‒H Bond Activation","Organometallics","2017","36","5","975","","10.1021/acs.organomet.6b00884","","","0.71073","MoKα","","0.1674","0.0869","","","0.1921","0.2262","","","","","","0.899","","","","has coordinates","238027","2020-10-21","18:00:00",""
"4089186","8.5606","0.0003","9.7857","0.0004","19.9625","0.0008","89.813","0.003","80.316","0.003","69.325","0.003","1539.44","0.11","150.15","","150.15","","","","","","","","","6","P -1","-P 1","2","","","","- C32 H38 Cl Co N P3 -","- C32 H38 Cl Co N P3 -","- C64 H76 Cl2 Co2 N2 P6 -","2","1","","Xing, Junyang; Sun, Hongjian; Xue, Benjing; Li, Xiaoyan; Fuhr, Olaf; Fenske, Dieter","Formation of 2-Azaallyl Cobalt(I) Complexes by Csp3‒H Bond Activation","Organometallics","2017","36","5","975","","10.1021/acs.organomet.6b00884","","x-ray","1.54186","CuKα","","0.073","0.0688","","","0.1696","0.1766","","","","","","1.031","","","","has coordinates","238027","2020-10-21","18:00:00",""
"4089187","8.3914","0.0001","18.3937","0.0005","20.2728","0.0004","90","","92.068","0.001","90","","3127.05","0.11","150.15","","150.15","","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C33 H41 Co N O P3 -","- C33 H41 Co N O P3 -","- C132 H164 Co4 N4 O4 P12 -","4","1","","Xing, Junyang; Sun, Hongjian; Xue, Benjing; Li, Xiaoyan; Fuhr, Olaf; Fenske, Dieter","Formation of 2-Azaallyl Cobalt(I) Complexes by Csp3‒H Bond Activation","Organometallics","2017","36","5","975","","10.1021/acs.organomet.6b00884","","x-ray","1.54186","CuKα","","0.0308","0.0277","","","0.0728","0.0741","","","","","","1.037","","","","has coordinates","238027","2020-10-21","18:00:00",""
"4089188","9.3095","0.0004","29.5956","0.0015","16.2463","0.0006","90","","91.872","0.003","90","","4473.8","0.3","150","2","150","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C43 H62 Co I N O2.5 P3 -","- C43 H62 Co I N O2.5 P3 -","- C172 H248 Co4 I4 N4 O10 P12 -","4","1","","Xing, Junyang; Sun, Hongjian; Xue, Benjing; Li, Xiaoyan; Fuhr, Olaf; Fenske, Dieter","Formation of 2-Azaallyl Cobalt(I) Complexes by Csp3‒H Bond Activation","Organometallics","2017","36","5","975","","10.1021/acs.organomet.6b00884","","","1.54186","CuKα","","0.1205","0.0624","","","0.1406","0.1672","","","","","","0.866","","","","has coordinates,has disorder","238027","2020-10-21","18:00:00",""
"4089189","13.3705","0.0006","14.2053","0.0006","15.0109","0.0006","90","","94.446","0.003","90","","2842.5","0.2","180.15","","180.15","","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C31 H30 Co N O2 P2 -","- C31 H30 Co N O2 P2 -","- C124 H120 Co4 N4 O8 P8 -","4","1","","Xing, Junyang; Sun, Hongjian; Xue, Benjing; Li, Xiaoyan; Fuhr, Olaf; Fenske, Dieter","Formation of 2-Azaallyl Cobalt(I) Complexes by Csp3‒H Bond Activation","Organometallics","2017","36","5","975","","10.1021/acs.organomet.6b00884","","","0.71073","MoKα","","0.0497","0.0319","","","0.0745","0.0802","","","","","","0.976","","","","has coordinates","238027","2020-10-21","18:00:00",""
"4089190","16.4269","0.0008","10.6939","0.0005","17.0425","0.0009","90","","94.6692","0.0016","90","","2983.9","0.3","120","","120","","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C60 H58 Cl4 Ir2 N10 O2 -","- C60 H58 Cl4 Ir2 N10 O2 -","- C120 H116 Cl8 Ir4 N20 O4 -","2","0.5","","Congrave, Daniel G.; Hsu, Yu-ting; Batsanov, Andrei S.; Beeby, Andrew; Bryce, Martin R.","Synthesis, Diastereomer Separation, and Optoelectronic and Structural Properties of Dinuclear Cyclometalated Iridium(III) Complexes with Bridging Diarylhydrazide Ligands","Organometallics","2017","36","5","981","","10.1021/acs.organomet.6b00887","","x-ray","0.71073","MoKα","","0.0715","0.0465","","","0.0977","0.1068","","","","","","1.032","","","","has coordinates,has disorder","238030","2020-10-21","18:00:00",""
"4089191","11.4764","0.0005","15.1017","0.0007","34.0815","0.0016","90","","93.2248","0.0016","90","","5897.4","0.5","120","","120","","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C60.35 H58.7 Cl4.7 Ir2 N10 O2 -","- C60.35 H58.7 Cl4.7 Ir2 N10 O2 -","- C241.4 H234.8 Cl18.8 Ir8 N40 O8 -","4","1","","Congrave, Daniel G.; Hsu, Yu-ting; Batsanov, Andrei S.; Beeby, Andrew; Bryce, Martin R.","Synthesis, Diastereomer Separation, and Optoelectronic and Structural Properties of Dinuclear Cyclometalated Iridium(III) Complexes with Bridging Diarylhydrazide Ligands","Organometallics","2017","36","5","981","","10.1021/acs.organomet.6b00887","","x-ray","0.71073","MoKα","","0.0714","0.0604","","","0.1324","0.1343","","","","","","1.645","","","","has coordinates,has disorder","238030","2020-10-21","18:00:00",""
"4089192","9.6743","0.0006","11.979","0.0008","12.1095","0.0008","89.1907","0.0018","79.7249","0.0018","72.8004","0.0018","1317.98","0.15","120","","120","","","","","","","","","6","P -1","-P 1","2","","","","- C58 H46 F8 Ir2 N10 O2 -","- C58 H46 F8 Ir2 N10 O2 -","- C58 H46 F8 Ir2 N10 O2 -","1","0.5","","Congrave, Daniel G.; Hsu, Yu-ting; Batsanov, Andrei S.; Beeby, Andrew; Bryce, Martin R.","Synthesis, Diastereomer Separation, and Optoelectronic and Structural Properties of Dinuclear Cyclometalated Iridium(III) Complexes with Bridging Diarylhydrazide Ligands","Organometallics","2017","36","5","981","","10.1021/acs.organomet.6b00887","","x-ray","0.71073","MoKα","","0.0574","0.0542","","","0.1415","0.1447","","","","","","1.116","","","","has coordinates","238030","2020-10-21","18:00:00",""
"4089193","12.8729","0.0008","17.6403","0.0011","27.5904","0.0017","101.874","0.002","90.127","0.002","111.257","0.002","5693.8","0.6","120","","120","","","","","","","","","7","P -1","-P 1","2","","","","- C59 H48 Cl2 F8 Ir2 N10 O2 -","- C59 H48 Cl2 F8 Ir2 N10 O2 -","- C236 H192 Cl8 F32 Ir8 N40 O8 -","4","2","","Congrave, Daniel G.; Hsu, Yu-ting; Batsanov, Andrei S.; Beeby, Andrew; Bryce, Martin R.","Synthesis, Diastereomer Separation, and Optoelectronic and Structural Properties of Dinuclear Cyclometalated Iridium(III) Complexes with Bridging Diarylhydrazide Ligands","Organometallics","2017","36","5","981","","10.1021/acs.organomet.6b00887","","x-ray","0.71073","MoKα","","0.0748","0.0482","","","0.108","0.1163","","","","","","1.281","","","","has coordinates","238030","2020-10-21","18:00:00",""
"4089194","14.2699","0.0006","28.076","0.0012","16.8768","0.0007","90","","111.38","0.0014","90","","6296.2","0.5","120","","120","","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C63 H57 Cl4 F8 Ir2 N10 O2 -","- C63 H57 Cl4 F8 Ir2 N10 O2 -","- C252 H228 Cl16 F32 Ir8 N40 O8 -","4","1","","Congrave, Daniel G.; Hsu, Yu-ting; Batsanov, Andrei S.; Beeby, Andrew; Bryce, Martin R.","Synthesis, Diastereomer Separation, and Optoelectronic and Structural Properties of Dinuclear Cyclometalated Iridium(III) Complexes with Bridging Diarylhydrazide Ligands","Organometallics","2017","36","5","981","","10.1021/acs.organomet.6b00887","","x-ray","0.71073","MoKα","","0.0568","0.0379","","","0.0656","0.0708","","","","","","1.119","","","","has coordinates,has disorder","238030","2020-10-21","18:00:00",""
"4089195","11.84","0.0013","13.0849","0.0014","13.3891","0.0015","103.492","0.004","97.036","0.004","109.631","0.004","1853.6","0.4","120","","120","","","","","","","","","7","P -1","-P 1","2","","","","- C74 H70 Cl8 F4 Ir2 N6 O6 -","- C74 H70 Cl8 F4 Ir2 N6 O6 -","- C74 H70 Cl8 F4 Ir2 N6 O6 -","1","0.5","","Congrave, Daniel G.; Hsu, Yu-ting; Batsanov, Andrei S.; Beeby, Andrew; Bryce, Martin R.","Synthesis, Diastereomer Separation, and Optoelectronic and Structural Properties of Dinuclear Cyclometalated Iridium(III) Complexes with Bridging Diarylhydrazide Ligands","Organometallics","2017","36","5","981","","10.1021/acs.organomet.6b00887","","x-ray","0.71073","MoKα","","0.0662","0.0498","","","0.1087","0.1227","","","","","","1.116","","","","has coordinates,has disorder","238030","2020-10-21","18:00:00",""
"4089196","11.949","0.0004","13.1839","0.0005","20.4762","0.0008","90","","93.8546","0.0014","90","","3218.4","0.2","120","","120","","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C72 H69.68 Cl0.32 F4 Ir2 N6 O7.84 -","- C72 H69.68 Cl0.32 F4 Ir2 N6 O7.84 -","- C144 H139.36 Cl0.64 F8 Ir4 N12 O15.68 -","2","0.5","","Congrave, Daniel G.; Hsu, Yu-ting; Batsanov, Andrei S.; Beeby, Andrew; Bryce, Martin R.","Synthesis, Diastereomer Separation, and Optoelectronic and Structural Properties of Dinuclear Cyclometalated Iridium(III) Complexes with Bridging Diarylhydrazide Ligands","Organometallics","2017","36","5","981","","10.1021/acs.organomet.6b00887","","x-ray","0.71073","MoKα","","0.0411","0.0249","","","0.0489","0.0521","","","","","","1.022","","","","has coordinates,has disorder","238030","2020-10-21","18:00:00",""
"4089197","28.5229","0.0016","15.4584","0.0009","15.6649","0.0009","90","","90","","90","","6906.9","0.7","120","","120","","","","","","","","","7","P b c n","-P 2n 2ab","60","","","","- C72 H66 Cl4 F4 Ir2 N6 O6 -","- C72 H66 Cl4 F4 Ir2 N6 O6 -","- C288 H264 Cl16 F16 Ir8 N24 O24 -","4","0.5","","Congrave, Daniel G.; Hsu, Yu-ting; Batsanov, Andrei S.; Beeby, Andrew; Bryce, Martin R.","Synthesis, Diastereomer Separation, and Optoelectronic and Structural Properties of Dinuclear Cyclometalated Iridium(III) Complexes with Bridging Diarylhydrazide Ligands","Organometallics","2017","36","5","981","","10.1021/acs.organomet.6b00887","","x-ray","0.71073","MoKα","","0.0474","0.0356","","","0.0636","0.0671","","","","","","1.351","","","","has coordinates,has disorder","238030","2020-10-21","18:00:00",""
"4089198","9.1432","0.0005","15.9366","0.0008","18.7458","0.001","89.6855","0.0018","84.2878","0.0018","88.8128","0.0018","2717.3","0.2","120","","120","","","","","","","","","8","P -1","-P 1","2","","","","- C62.5 H38 Cl D F12 Ir2 N6 O2 -","- C62.5 H38 Cl D F12 Ir2 N6 O2 -","- C125 H76 Cl2 D2 F24 Ir4 N12 O4 -","2","1","","Congrave, Daniel G.; Hsu, Yu-ting; Batsanov, Andrei S.; Beeby, Andrew; Bryce, Martin R.","Synthesis, Diastereomer Separation, and Optoelectronic and Structural Properties of Dinuclear Cyclometalated Iridium(III) Complexes with Bridging Diarylhydrazide Ligands","Organometallics","2017","36","5","981","","10.1021/acs.organomet.6b00887","","x-ray","0.71073","MoKα","","0.0412","0.0286","","","0.0574","0.0607","","","","","","1.068","","","","has coordinates,has disorder","238030","2020-10-21","18:00:00",""
"4089199","11.6609","0.0005","12.6394","0.0005","12.6537","0.0006","64.1255","0.0012","63.4417","0.0012","84.4419","0.0013","1489.73","0.11","120","","120","","","","","","","","","8","P -1","-P 1","2","","","","- C64 H38 Cl4 D4 F12 Ir2 N6 O2 -","- C64 H38 Cl4 D4 F12 Ir2 N6 O2 -","- C64 H38 Cl4 D4 F12 Ir2 N6 O2 -","1","0.5","","Congrave, Daniel G.; Hsu, Yu-ting; Batsanov, Andrei S.; Beeby, Andrew; Bryce, Martin R.","Synthesis, Diastereomer Separation, and Optoelectronic and Structural Properties of Dinuclear Cyclometalated Iridium(III) Complexes with Bridging Diarylhydrazide Ligands","Organometallics","2017","36","5","981","","10.1021/acs.organomet.6b00887","","x-ray","0.71073","MoKα","","0.0164","0.0148","","","0.035","0.0356","","","","","","1.076","","","","has coordinates,has disorder","238030","2020-10-21","18:00:00",""
"4089200","10.1462","0.0005","22.4652","0.0011","23.7388","0.0012","90","","96.0515","0.0016","90","","5380.8","0.5","120","","120","","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C62 H38 F12 Ir2 N6 O2 -","- C62 H38 F12 Ir2 N6 O2 -","- C248 H152 F48 Ir8 N24 O8 -","4","0.5","","Congrave, Daniel G.; Hsu, Yu-ting; Batsanov, Andrei S.; Beeby, Andrew; Bryce, Martin R.","Synthesis, Diastereomer Separation, and Optoelectronic and Structural Properties of Dinuclear Cyclometalated Iridium(III) Complexes with Bridging Diarylhydrazide Ligands","Organometallics","2017","36","5","981","","10.1021/acs.organomet.6b00887","","x-ray","0.71073","MoKα","","0.0297","0.0229","","","0.0436","0.0453","","","","","","1.112","","","","has coordinates","238030","2020-10-21","18:00:00",""
"4089201","10.1047","0.0007","16.3099","0.0011","19.7871","0.0014","90","","90","","90","","3261","0.4","173","2","173.15","","","","","","","","","5","P 21 c n","P -2n 2a","33","","","","- C38 H45 Fe N P2 -","- C38 H45 Fe N P2 -","- C152 H180 Fe4 N4 P8 -","4","1","","Zhang, Fanjun; Xu, Xin; Zhao, Yingjie; Jia, Jiong; Tung, Chen-Ho; Wang, Wenguang","Solvent Effects on Hydride Transfer from Cp*(P-P)FeH to BNA+ Cation","Organometallics","2017","36","7","1238","","10.1021/acs.organomet.6b00907","","","0.71","synchrotron","","0.0255","0.0229","","","0.052","0.053","","","","","","1.0315","","","","has coordinates","238034","2020-10-21","18:00:00",""
"4089202","13.941","0.003","32.962","0.008","14.906","0.004","90","","114.45","0.015","90","","6235","3","173","2","173","2","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C62 H64 B Fe N3 P2 -","- C62 H64 B Fe N3 P2 -","- C248 H256 B4 Fe4 N12 P8 -","4","2","","Zhang, Fanjun; Xu, Xin; Zhao, Yingjie; Jia, Jiong; Tung, Chen-Ho; Wang, Wenguang","Solvent Effects on Hydride Transfer from Cp*(P-P)FeH to BNA+ Cation","Organometallics","2017","36","7","1238","","10.1021/acs.organomet.6b00907","","","0.71","MoKα","","0.1833","0.075","","","0.1562","0.2022","","","","","","0.838","","","","has coordinates","252052","2020-10-21","18:00:00",""
"4089203","10.897","0.007","17.545","0.012","17.653","0.012","90","","90","","90","","3375","4","173","2","173","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C38 H44 Cl Fe N P2 -","- C38 H44 Cl Fe N P2 -","- C152 H176 Cl4 Fe4 N4 P8 -","4","1","","Zhang, Fanjun; Xu, Xin; Zhao, Yingjie; Jia, Jiong; Tung, Chen-Ho; Wang, Wenguang","Solvent Effects on Hydride Transfer from Cp*(P-P)FeH to BNA+ Cation","Organometallics","2017","36","7","1238","","10.1021/acs.organomet.6b00907","","","0.71","MoKα","","0.0792","0.0521","","","0.1049","0.1154","","","","","","0.989","","","","has coordinates","238034","2020-10-21","18:00:00",""
"4089204","16.278","0.019","16.013","0.018","22.44","0.03","90","","106.098","0.017","90","","5620","12","173","","173","","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C62 H64 B Cl Fe N P2 -","- C62 H64 B Cl Fe N P2 -","- C248 H256 B4 Cl4 Fe4 N4 P8 -","4","1","","Zhang, Fanjun; Xu, Xin; Zhao, Yingjie; Jia, Jiong; Tung, Chen-Ho; Wang, Wenguang","Solvent Effects on Hydride Transfer from Cp*(P-P)FeH to BNA+ Cation","Organometallics","2017","36","7","1238","","10.1021/acs.organomet.6b00907","","","0.71","MoKα","","0.1619","0.0851","","","0.1751","0.1994","","","","","","0.933","","","","has coordinates","238034","2020-10-21","18:00:00",""
"4089205","11.4721","0.0006","35.3524","0.0018","13.9554","0.0007","90","","100.384","0.0007","90","","5567.1","0.5","173","2","173.15","","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C64 H91 B Fe O P2 -","- C64 H91 B Fe O P2 -","- C256 H364 B4 Fe4 O4 P8 -","4","1","","Zhang, Fanjun; Xu, Xin; Zhao, Yingjie; Jia, Jiong; Tung, Chen-Ho; Wang, Wenguang","Solvent Effects on Hydride Transfer from Cp*(P-P)FeH to BNA+ Cation","Organometallics","2017","36","7","1238","","10.1021/acs.organomet.6b00907","","","0.71","MoKα","","0.0677","0.0628","","","0.1468","0.15","","","","","","1.042","","","","has coordinates","238034","2020-10-21","18:00:00",""
"4089206","8.6836","0.0012","8.9921","0.0009","11.0625","0.0012","79.035","0.009","79.358","0.01","75.534","0.011","812.55","0.17","150","2","150","2","","","","","","","","4","P -1","-P 1","2","","","","- C40 H54 B2 N2 -","- C40 H54 B2 N2 -","- C40 H54 B2 N2 -","1","0.5","","Grandl, Markus; Rudolf, Benjamin; Sun, Yu; Bechtel, Dominique F.; Pierik, Antonio J.; Pammer, Frank","Intramolecular N→B Coordination as a Stabilizing Scaffold for π-Conjugated Radical Anions with Tunable Redox Potentials","Organometallics","2017","36","14","2527","","10.1021/acs.organomet.6b00916","","","0.71073","MoKα","","0.0631","0.0435","","","0.1117","0.1159","","","","","","1.025","","","","has coordinates","238036","2020-10-21","18:00:00",""
"4089207","9.6899","0.0006","11.8206","0.0007","12.5661","0.0006","104.421","0.005","105.505","0.005","113.302","0.006","1166.98","0.16","150","2","150","2","","","","","","","","5","P -1","-P 1","2","","","","- C27 H20 B F10 N -","- C27 H20 B F10 N -","- C54 H40 B2 F20 N2 -","2","1","","Grandl, Markus; Rudolf, Benjamin; Sun, Yu; Bechtel, Dominique F.; Pierik, Antonio J.; Pammer, Frank","Intramolecular N→B Coordination as a Stabilizing Scaffold for π-Conjugated Radical Anions with Tunable Redox Potentials","Organometallics","2017","36","14","2527","","10.1021/acs.organomet.6b00916","","","0.71073","MoKα","","0.0686","0.0474","","","0.0955","0.1099","","","","","","1.03","","","","has coordinates","238036","2020-10-21","18:00:00",""
"4089208","10.0151","0.0015","12.069","0.0018","12.6447","0.0017","65.719","0.014","86.361","0.011","68.329","0.014","1287.7","0.4","150","2","150","2","","","","","","","","6","P -1","-P 1","2","","","","- C58 H36 B2 Co F20 N2 -","- C58 H36 B2 Co F20 N2 -","- C58 H36 B2 Co F20 N2 -","1","0.5","","Grandl, Markus; Rudolf, Benjamin; Sun, Yu; Bechtel, Dominique F.; Pierik, Antonio J.; Pammer, Frank","Intramolecular N→B Coordination as a Stabilizing Scaffold for π-Conjugated Radical Anions with Tunable Redox Potentials","Organometallics","2017","36","14","2527","","10.1021/acs.organomet.6b00916","","","0.71073","MoKα","","0.1334","0.0751","","","0.1722","0.2201","","","","","","1.031","","","","has coordinates","238036","2020-10-21","18:00:00",""
"4089209","20.3091","0.0008","13.8156","0.0004","33.4191","0.0016","90","","105.096","0.004","90","","9053.2","0.6","150","2","150","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C51 H33 B2 F20 N2 -","- C51 H33 B2 F20 N2 -","- C408 H264 B16 F160 N16 -","8","1","","Grandl, Markus; Rudolf, Benjamin; Sun, Yu; Bechtel, Dominique F.; Pierik, Antonio J.; Pammer, Frank","Intramolecular N→B Coordination as a Stabilizing Scaffold for π-Conjugated Radical Anions with Tunable Redox Potentials","Organometallics","2017","36","14","2527","","10.1021/acs.organomet.6b00916","","","0.71073","MoKα","","0.0699","0.0525","","","0.1126","0.1223","","","","","","1.089","","","","has coordinates","238036","2020-10-21","18:00:00",""
"4089210","10.4327","0.0004","10.8271","0.0004","14.4818","0.0006","76.053","0.001","76.115","0.001","61.89","","1384.96","0.09","153","2","153","2","","","","","","","","5","P -1","-P 1","2","","","","- C18 H48 N3 Sc Si3 -","- C18 H48 N3 Sc Si3 -","- C36 H96 N6 Sc2 Si6 -","2","1","","Eedugurala, Naresh; Wang, Zhuoran; Yan, KaKing; Boteju, Kasuni C.; Chaudhary, Umesh; Kobayashi, Takeshi; Ellern, Arkady; Slowing, Igor I.; Pruski, Marek; Sadow, Aaron D.","β-SiH-Containing Tris(silazido) Rare-Earth Complexes as Homogeneous and Grafted Single-Site Catalyst Precursors for Hydroamination","Organometallics","2017","36","6","1142","","10.1021/acs.organomet.6b00956","","","0.71073","MoKα","","0.0301","0.0264","","","0.0731","0.0754","","","","","","1.041","","","","has coordinates","238038","2020-10-21","18:00:00",""
"4089211","11.1827","0.0005","14.4439","0.0007","17.9963","0.0008","90","","90.992","0.002","90","","2906.4","0.2","173","2","173","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C18 H48 N3 Si3 Y -","- C18 H48 N3 Si3 Y -","- C72 H192 N12 Si12 Y4 -","4","1","","Eedugurala, Naresh; Wang, Zhuoran; Yan, KaKing; Boteju, Kasuni C.; Chaudhary, Umesh; Kobayashi, Takeshi; Ellern, Arkady; Slowing, Igor I.; Pruski, Marek; Sadow, Aaron D.","β-SiH-Containing Tris(silazido) Rare-Earth Complexes as Homogeneous and Grafted Single-Site Catalyst Precursors for Hydroamination","Organometallics","2017","36","6","1142","","10.1021/acs.organomet.6b00956","","","1.54178","CuKα","","0.0323","0.0322","","","0.0873","0.0875","","","","","","1.077","","","","has coordinates","238038","2020-10-21","18:00:00",""
"4089212","19.229","0.002","10.9623","0.0012","16.9486","0.0018","90","","114.423","0.002","90","","3253","0.6","153","2","153","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C22 H58 N3 O Si3 Y -","- C22 H58 N3 O Si3 Y -","- C88 H232 N12 O4 Si12 Y4 -","4","1","","Eedugurala, Naresh; Wang, Zhuoran; Yan, KaKing; Boteju, Kasuni C.; Chaudhary, Umesh; Kobayashi, Takeshi; Ellern, Arkady; Slowing, Igor I.; Pruski, Marek; Sadow, Aaron D.","β-SiH-Containing Tris(silazido) Rare-Earth Complexes as Homogeneous and Grafted Single-Site Catalyst Precursors for Hydroamination","Organometallics","2017","36","6","1142","","10.1021/acs.organomet.6b00956","","","0.71073","MoKα","","0.0633","0.0506","","","0.1174","0.1214","","","","","","1.197","","","","has coordinates","238038","2020-10-21","18:00:00",""
"4089213","18.9236","0.0015","15.5196","0.0012","23.0306","0.0018","90","","106.23","0.001","90","","6494.2","0.9","173","2","173","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C22 H56 N3 O Si3 Y -","- C22 H56 N3 O Si3 Y -","- C176 H448 N24 O8 Si24 Y8 -","8","2","","Eedugurala, Naresh; Wang, Zhuoran; Yan, KaKing; Boteju, Kasuni C.; Chaudhary, Umesh; Kobayashi, Takeshi; Ellern, Arkady; Slowing, Igor I.; Pruski, Marek; Sadow, Aaron D.","β-SiH-Containing Tris(silazido) Rare-Earth Complexes as Homogeneous and Grafted Single-Site Catalyst Precursors for Hydroamination","Organometallics","2017","36","6","1142","","10.1021/acs.organomet.6b00956","","","0.71073","MoKα","","0.0963","0.0481","","","0.0925","0.11","","","","","","1.046","","","","has coordinates","238038","2020-10-21","18:00:00",""
"4089214","11.0915","0.0005","14.4568","0.0007","17.9196","0.0009","90","","90.798","0.002","90","","2873.1","0.2","173","2","173","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C18 H48 Lu N3 Si3 -","- C18 H48 Lu N3 Si3 -","- C72 H192 Lu4 N12 Si12 -","4","1","","Eedugurala, Naresh; Wang, Zhuoran; Yan, KaKing; Boteju, Kasuni C.; Chaudhary, Umesh; Kobayashi, Takeshi; Ellern, Arkady; Slowing, Igor I.; Pruski, Marek; Sadow, Aaron D.","β-SiH-Containing Tris(silazido) Rare-Earth Complexes as Homogeneous and Grafted Single-Site Catalyst Precursors for Hydroamination","Organometallics","2017","36","6","1142","","10.1021/acs.organomet.6b00956","","","1.54178","CuKα","","0.0238","0.0234","","","0.0609","0.0613","","","","","","1.087","","","","has coordinates","238038","2020-10-21","18:00:00",""
"4089215","11.9537","0.0017","16.54","0.002","16.687","0.002","90","","104.645","0.002","90","","3192.1","0.7","173","2","173","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C22 H56 Lu N3 O Si3 -","- C22 H56 Lu N3 O Si3 -","- C88 H224 Lu4 N12 O4 Si12 -","4","1","","Eedugurala, Naresh; Wang, Zhuoran; Yan, KaKing; Boteju, Kasuni C.; Chaudhary, Umesh; Kobayashi, Takeshi; Ellern, Arkady; Slowing, Igor I.; Pruski, Marek; Sadow, Aaron D.","β-SiH-Containing Tris(silazido) Rare-Earth Complexes as Homogeneous and Grafted Single-Site Catalyst Precursors for Hydroamination","Organometallics","2017","36","6","1142","","10.1021/acs.organomet.6b00956","","","0.71073","MoKα","","0.0262","0.0204","","","0.0462","0.0541","","","","","","1.057","","","","has coordinates,has disorder","238038","2020-10-21","18:00:00",""
"4089216","10.3552","0.0014","11.165","0.002","11.811","0.002","95.334","0.009","105.458","0.007","114.326","0.007","1166.9","0.3","150","2","150","2","","","","","","","synthesis as described","7","P -1","-P 1","2","","","","- C32 H60 Ca2 F12 N4 O2 Si4 -","- C32 H60 Ca2 F12 N4 O2 Si4 -","- C32 H60 Ca2 F12 N4 O2 Si4 -","1","0.5","","Roşca, Sorin-Claudiu; Caytan, Elsa; Dorcet, Vincent; Roisnel, Thierry; Carpentier, Jean-François; Sarazin, Yann","π Ligands in Alkaline Earth Complexes","Organometallics","2017","36","7","1269","","10.1021/acs.organomet.7b00006","","x-ray","0.71073","MoKα","","0.0717","0.042","","","0.0793","0.0921","","","","","","1.024","","","","has coordinates,has disorder","238040","2020-10-21","18:00:00",""
"4089217","11.0188","0.0008","13.1073","0.0009","13.1428","0.001","112.505","0.003","98.047","0.003","109.255","0.003","1576.5","0.2","150","2","150","2","","","","","","","synthesis as described","7","P -1","-P 1","2","","","","- C42 H72 Ca2 F12 N4 O4 Si4 -","- C42 H72 Ca2 F12 N4 O4 Si4 -","- C42 H72 Ca2 F12 N4 O4 Si4 -","1","0.5","","Roşca, Sorin-Claudiu; Caytan, Elsa; Dorcet, Vincent; Roisnel, Thierry; Carpentier, Jean-François; Sarazin, Yann","π Ligands in Alkaline Earth Complexes","Organometallics","2017","36","7","1269","","10.1021/acs.organomet.7b00006","","x-ray","0.71073","MoKα","","0.0814","0.0594","","","0.1705","0.1836","","","","","","1.01","","","","has coordinates","238040","2020-10-21","18:00:00",""
"4089218","11.3294","0.0007","16.6381","0.0012","18.2154","0.0013","105.203","0.003","92.382","0.002","91.935","0.002","3307","0.4","150","","150","","","","","","","","synthesis as described","7","P -1","-P 1","2","","","","- C42 H84 Ca3 F12 N6 O2 Si8 -","- C42 H84 Ca3 F12 N6 O2 Si8 -","- C84 H168 Ca6 F24 N12 O4 Si16 -","2","1","","Roşca, Sorin-Claudiu; Caytan, Elsa; Dorcet, Vincent; Roisnel, Thierry; Carpentier, Jean-François; Sarazin, Yann","π Ligands in Alkaline Earth Complexes","Organometallics","2017","36","7","1269","","10.1021/acs.organomet.7b00006","","x-ray","0.71073","MoKα","","0.0527","0.0384","","","0.0884","0.0965","","","","","","1.026","","","","has coordinates","238040","2020-10-21","18:00:00",""
"4089219","9.9272","0.0005","10.2046","0.0004","12.6699","0.0006","87.23","0.002","76.121","0.002","67.911","0.002","1153.32","0.09","150","2","150","2","","","","","","","synthesis as described","7","P -1","-P 1","2","","","","- C16 H30 Ca F6 N2 O Si2 -","- C16 H30 Ca F6 N2 O Si2 -","- C32 H60 Ca2 F12 N4 O2 Si4 -","2","1","","Roşca, Sorin-Claudiu; Caytan, Elsa; Dorcet, Vincent; Roisnel, Thierry; Carpentier, Jean-François; Sarazin, Yann","π Ligands in Alkaline Earth Complexes","Organometallics","2017","36","7","1269","","10.1021/acs.organomet.7b00006","","x-ray","0.71073","MoKα","","0.0645","0.0426","","","0.0962","0.1066","","","","","","1.027","","","","has coordinates","238040","2020-10-21","18:00:00",""
"4089220","9.9873","0.0011","10.3282","0.001","12.8042","0.0011","87.902","0.003","76.981","0.003","69.28","0.003","1202.2","0.2","150","","150","","","","","","","","synthesis as described","7","P -1","-P 1","2","","","","- C32 H60 F12 N4 O2 Si4 Sr2 -","- C32 H56 F12 N4 O2 Si4 Sr2 -","- C32 H56 F12 N4 O2 Si4 Sr2 -","1","0.5","","Roşca, Sorin-Claudiu; Caytan, Elsa; Dorcet, Vincent; Roisnel, Thierry; Carpentier, Jean-François; Sarazin, Yann","π Ligands in Alkaline Earth Complexes","Organometallics","2017","36","7","1269","","10.1021/acs.organomet.7b00006","","x-ray","0.71073","MoKα","","0.0705","0.0539","","","0.1395","0.1504","","","","","","1.054","","","","has coordinates","238040","2020-10-21","18:00:00",""
"4089221","15.5975","0.0007","12.4727","0.0006","17.9014","0.0008","90","","90","","90","","3482.6","0.3","100","","100","","","","","","","","","6","P n 21 a","P -2ac -2n","33","","","","- C41 H31 Cl3 Ir N3 O2 -","- C41 H31 Cl3 Ir N3 O2 -","- C164 H124 Cl12 Ir4 N12 O8 -","4","1","","Chen, Daqing; Li, Kai; Guan, Xiangguo; Cheng, Gang; Yang, Chen; Che, Chi-Ming","Luminescent Iridium(III) Complexes Supported by a Tetradentate Trianionic Ligand Scaffold with Mixed O, N, and C Donor Atoms: Synthesis, Structures, Photophysical Properties, and Material Applications","Organometallics","2017","36","7","1331","","10.1021/acs.organomet.7b00038","","x-ray","1.54178","CuKα","","0.0242","0.0228","","","0.0563","0.0569","","","","","","1.073","","","","has coordinates","238044","2020-10-21","18:00:00",""
"4089222","12.33","0.003","12.749","0.003","14.037","0.003","113.973","0.007","92.342","0.007","101.422","0.007","1958.1","0.8","100","","100","","","","","","","","","6","P -1","-P 1","2","","","","- C43 H43 Cl3 Ir N5 O3 -","- C43 H43 Cl3 Ir N5 O3 -","- C86 H86 Cl6 Ir2 N10 O6 -","2","1","","Chen, Daqing; Li, Kai; Guan, Xiangguo; Cheng, Gang; Yang, Chen; Che, Chi-Ming","Luminescent Iridium(III) Complexes Supported by a Tetradentate Trianionic Ligand Scaffold with Mixed O, N, and C Donor Atoms: Synthesis, Structures, Photophysical Properties, and Material Applications","Organometallics","2017","36","7","1331","","10.1021/acs.organomet.7b00038","","x-ray","1.54178","CuKα","","0.0665","0.063","","","0.1632","0.1677","","","","","","1.069","","","","has coordinates,has disorder","238044","2020-10-21","18:00:00",""
"4089223","19.6387","0.0007","16.5603","0.0006","33.7493","0.0011","90","","103.028","0.001","90","","10693.5","0.6","100","","100","","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C70 H58 Ir N O2 P2 -","- C70 H58 Ir N O2 P2 -","- C560 H464 Ir8 N8 O16 P16 -","8","1","","Chen, Daqing; Li, Kai; Guan, Xiangguo; Cheng, Gang; Yang, Chen; Che, Chi-Ming","Luminescent Iridium(III) Complexes Supported by a Tetradentate Trianionic Ligand Scaffold with Mixed O, N, and C Donor Atoms: Synthesis, Structures, Photophysical Properties, and Material Applications","Organometallics","2017","36","7","1331","","10.1021/acs.organomet.7b00038","","x-ray","1.54178","CuKα","","0.0287","0.0287","","","0.0769","0.0769","","","","","","1.213","","","","has coordinates","238044","2020-10-21","18:00:00",""
"4089224","11.0272","0.0008","13.0954","0.0009","15.9964","0.0011","82.055","0.003","71.844","0.002","84.427","0.003","2170.3","0.3","100","","100","","","","","","","","","6","P -1","-P 1","2","","","","- C93 H91 Cl3 Ir N6 O4 -","- C93 H91 Cl3 Ir2 N6 O4 -","- C93 H91 Cl3 Ir2 N6 O4 -","1","0.5","","Chen, Daqing; Li, Kai; Guan, Xiangguo; Cheng, Gang; Yang, Chen; Che, Chi-Ming","Luminescent Iridium(III) Complexes Supported by a Tetradentate Trianionic Ligand Scaffold with Mixed O, N, and C Donor Atoms: Synthesis, Structures, Photophysical Properties, and Material Applications","Organometallics","2017","36","7","1331","","10.1021/acs.organomet.7b00038","","x-ray","1.54178","CuKα","","0.0583","0.0543","","","0.1554","0.1601","","","","","","1.145","","","","has coordinates,has disorder","238044","2020-10-21","18:00:00",""
"4089225","12.121","0.003","13.114","0.003","26.53","0.006","83.39","0.005","87.362","0.005","69.548","0.004","3924.9","1.6","100","","100","","","","","","","","","6","P -1","-P 1","2","","","","- C46 H37 Cl3 Ir N3 O4 -","- C46 H37 Cl3 Ir N3 O4 -","- C184 H148 Cl12 Ir4 N12 O16 -","4","2","","Chen, Daqing; Li, Kai; Guan, Xiangguo; Cheng, Gang; Yang, Chen; Che, Chi-Ming","Luminescent Iridium(III) Complexes Supported by a Tetradentate Trianionic Ligand Scaffold with Mixed O, N, and C Donor Atoms: Synthesis, Structures, Photophysical Properties, and Material Applications","Organometallics","2017","36","7","1331","","10.1021/acs.organomet.7b00038","","x-ray","1.54178","CuKα","","0.0738","0.07","","","0.1967","0.2014","","","","","","1.062","","","","has coordinates,has disorder","238044","2020-10-21","18:00:00",""
"4089226","11.398","0.0007","12.2026","0.0008","15.8397","0.001","82.026","0.001","81.053","0.001","78.213","0.001","2117.3","0.2","100","","100","","","","","","","","","6","P -1","-P 1","2","","","","- C45 H37 Cl6 Ir N4 O2 -","- C45 H37 Cl6 Ir N4 O2 -","- C90 H74 Cl12 Ir2 N8 O4 -","2","1","","Chen, Daqing; Li, Kai; Guan, Xiangguo; Cheng, Gang; Yang, Chen; Che, Chi-Ming","Luminescent Iridium(III) Complexes Supported by a Tetradentate Trianionic Ligand Scaffold with Mixed O, N, and C Donor Atoms: Synthesis, Structures, Photophysical Properties, and Material Applications","Organometallics","2017","36","7","1331","","10.1021/acs.organomet.7b00038","","x-ray","1.54178","CuKα","","0.0428","0.0424","","","0.1151","0.1156","","","","","","1.025","","","","has coordinates,has disorder","238044","2020-10-21","18:00:00",""
"4089227","12.7093","0.0008","14.5726","0.0009","22.7312","0.0014","90","","93.969","0.002","90","","4199.9","0.5","100","","100","","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C46 H36 Cl6 Ir N3 O2 -","- C46 H36 Cl6 Ir N3 O2 -","- C184 H144 Cl24 Ir4 N12 O8 -","4","1","","Chen, Daqing; Li, Kai; Guan, Xiangguo; Cheng, Gang; Yang, Chen; Che, Chi-Ming","Luminescent Iridium(III) Complexes Supported by a Tetradentate Trianionic Ligand Scaffold with Mixed O, N, and C Donor Atoms: Synthesis, Structures, Photophysical Properties, and Material Applications","Organometallics","2017","36","7","1331","","10.1021/acs.organomet.7b00038","","","1.54178","CuKα","","0.0329","0.0323","","","0.0879","0.0886","","","","","","1.044","","","","has coordinates","238044","2020-10-21","18:00:00",""
"4089228","16.806","0.0014","16.8507","0.0013","19.0323","0.0016","69.434","0.004","68.654","0.005","70.831","0.004","4574.2","0.7","100","","100","","","","","","","","","6","P -1","-P 1","2","","","","- C60 H51 Ir N2 O2 P -","- C60 H51 Ir N2 O2 P -","- C240 H204 Ir4 N8 O8 P4 -","4","2","","Chen, Daqing; Li, Kai; Guan, Xiangguo; Cheng, Gang; Yang, Chen; Che, Chi-Ming","Luminescent Iridium(III) Complexes Supported by a Tetradentate Trianionic Ligand Scaffold with Mixed O, N, and C Donor Atoms: Synthesis, Structures, Photophysical Properties, and Material Applications","Organometallics","2017","36","7","1331","","10.1021/acs.organomet.7b00038","","x-ray","1.54178","CuKα","","0.1063","0.0855","","","0.2309","0.2449","","","","","","1.049","","","","has coordinates","238044","2020-10-21","18:00:00",""
"4089229","13.6071","0.0018","34.78","0.005","12.5004","0.0017","90","","100.121","0.002","90","","5823.8","1.4","93","","93","","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C63 H70 Cl N4 P2 Ru -","- C63 H45 Cl N4 P2 Ru -","- C252 H180 Cl4 N16 P8 Ru4 -","4","1","","Toda, Tatsuro; Saitoh, Koki; Yoshinari, Akihiro; Ikariya, Takao; Kuwata, Shigeki","Synthesis and Structures of NCN Pincer-Type Ruthenium and Iridium Complexes Bearing Protic Pyrazole Arms","Organometallics","2017","36","6","1188","","10.1021/acs.organomet.7b00065","","","0.71075","MoKα","","","0.0641","","","","0.1988","","","","","","1","","","","has coordinates","238047","2020-10-21","18:00:00",""
"4089230","20.049","0.006","18.106","0.005","29.898","0.009","90","","101.906","0.007","90","","10620","5","93","","93","","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C58 H59 Cl N4 O0.5 P2 Ru -","- C58 H50.5 Cl N4 O0.5 P2 Ru -","- C464 H404 Cl8 N32 O4 P16 Ru8 -","8","2","","Toda, Tatsuro; Saitoh, Koki; Yoshinari, Akihiro; Ikariya, Takao; Kuwata, Shigeki","Synthesis and Structures of NCN Pincer-Type Ruthenium and Iridium Complexes Bearing Protic Pyrazole Arms","Organometallics","2017","36","6","1188","","10.1021/acs.organomet.7b00065","","","0.71075","MoKα","","","0.0781","","","","0.2287","","","","","","1","","","","has coordinates","238047","2020-10-21","18:00:00",""
"4089231","13.538","0.004","37.488","0.009","11.999","0.003","90","","104.456","0.002","90","","5897","3","93","","93","","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C65 H75 Cl N4 O3 P2 Ru -","- C65 H66 Cl N4 O3 P2 Ru -","- C260 H264 Cl4 N16 O12 P8 Ru4 -","4","1","","Toda, Tatsuro; Saitoh, Koki; Yoshinari, Akihiro; Ikariya, Takao; Kuwata, Shigeki","Synthesis and Structures of NCN Pincer-Type Ruthenium and Iridium Complexes Bearing Protic Pyrazole Arms","Organometallics","2017","36","6","1188","","10.1021/acs.organomet.7b00065","","","0.71075","MoKα","","","0.0573","","","","0.1356","","","","","","1","","","","has coordinates","238047","2020-10-21","18:00:00",""
"4089232","12.594","0.003","21.779","0.005","29.023","0.007","90","","90.127","0.003","90","","7961","3","93","","93","","","","","","","","","8","P 1 21/c 1","-P 2ybc","14","","","","- C92 H103 B Cl Ir N4 O2 P2 -","- C92 H84 B Cl Ir N4 O2 P2 -","- C368 H336 B4 Cl4 Ir4 N16 O8 P8 -","4","1","","Toda, Tatsuro; Saitoh, Koki; Yoshinari, Akihiro; Ikariya, Takao; Kuwata, Shigeki","Synthesis and Structures of NCN Pincer-Type Ruthenium and Iridium Complexes Bearing Protic Pyrazole Arms","Organometallics","2017","36","6","1188","","10.1021/acs.organomet.7b00065","","","0.71075","MoKα","","","0.0466","","","","0.1259","","","","","","1","","","","has coordinates","238047","2020-10-21","18:00:00",""
"4089233","12.933","0.0012","29.341","0.003","9.9152","0.0008","90","","124.857","0.004","90","","3087.4","0.5","93","","93","","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C25 H39 Cl3 Ir N7 O2 -","- C25 H39 Cl3 Ir N7 O2 -","- C100 H156 Cl12 Ir4 N28 O8 -","4","1","","Toda, Tatsuro; Saitoh, Koki; Yoshinari, Akihiro; Ikariya, Takao; Kuwata, Shigeki","Synthesis and Structures of NCN Pincer-Type Ruthenium and Iridium Complexes Bearing Protic Pyrazole Arms","Organometallics","2017","36","6","1188","","10.1021/acs.organomet.7b00065","","","0.7107","MoKα","","","0.038","","","","0.1218","","","","","","1","","","","has coordinates","238047","2020-10-21","18:00:00",""
"4089234","10.051","0.003","10.678","0.003","17.74","0.004","99.998","0.002","98.477","0.002","115.691","0.002","1635.6","0.8","110","2","110","2","","","","","","","","6","P -1","-P 1","2","","","","- C35 H48 B O2 P2 Rh -","- C35 H48 B O2 P2 Rh -","- C70 H96 B2 O4 P4 Rh2 -","2","1","","Shih, Wei-Chun; Gu, Weixing; MacInnis, Morgan C.; Herbert, David E.; Ozerov, Oleg V.","Boryl/Borane Interconversion and Diversity of Binding Modes of Oxygenous Ligands in PBP Pincer Complexes of Rhodium","Organometallics","2017","36","9","1718","","10.1021/acs.organomet.7b00070","","","0.71073","MoKα","","0.0253","0.0229","","","0.0575","0.0586","","","","","","1.054","","","","has coordinates","238049","2020-10-21","18:00:00",""
"4089235","10.646","0.003","16.17","0.004","19.506","0.005","90","","96.663","0.003","90","","3335.2","1.5","110","2","110","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C35 H50 B O2 P2 Rh -","- C35 H50 B O2 P2 Rh -","- C140 H200 B4 O8 P8 Rh4 -","4","1","","Shih, Wei-Chun; Gu, Weixing; MacInnis, Morgan C.; Herbert, David E.; Ozerov, Oleg V.","Boryl/Borane Interconversion and Diversity of Binding Modes of Oxygenous Ligands in PBP Pincer Complexes of Rhodium","Organometallics","2017","36","9","1718","","10.1021/acs.organomet.7b00070","","","0.71073","MoKα","","0.0695","0.0391","","","0.0693","0.0747","","","","","","0.845","","","","has coordinates","238049","2020-10-21","18:00:00",""
"4089236","10.501","0.004","11.435","0.004","14.861","0.005","96.234","0.005","94.996","0.005","107.307","0.004","1680.2","1","110","2","110","2","","","","","","","","6","P -1","-P 1","2","","","","- C35 H50 B O2 P2 Rh -","- C35 H50 B O2 P2 Rh -","- C70 H100 B2 O4 P4 Rh2 -","2","1","","Shih, Wei-Chun; Gu, Weixing; MacInnis, Morgan C.; Herbert, David E.; Ozerov, Oleg V.","Boryl/Borane Interconversion and Diversity of Binding Modes of Oxygenous Ligands in PBP Pincer Complexes of Rhodium","Organometallics","2017","36","9","1718","","10.1021/acs.organomet.7b00070","","","0.71073","MoKα","","0.0735","0.0474","","","0.0915","0.1015","","","","","","1","","","","has coordinates,has disorder","238049","2020-10-21","18:00:00",""
"4089237","19.246","0.004","10.695","0.002","16.624","0.003","90","","110.332","0.002","90","","3208.6","1.1","173","2","173","2","","","","","","","","8","P 1 21/c 1","-P 2ybc","14","","","","- C31 H41 B F3 O3 P2 Rh S -","- C31 H41 B F3 O3 P2 Rh S -","- C124 H164 B4 F12 O12 P8 Rh4 S4 -","4","1","","Shih, Wei-Chun; Gu, Weixing; MacInnis, Morgan C.; Herbert, David E.; Ozerov, Oleg V.","Boryl/Borane Interconversion and Diversity of Binding Modes of Oxygenous Ligands in PBP Pincer Complexes of Rhodium","Organometallics","2017","36","9","1718","","10.1021/acs.organomet.7b00070","","","0.71073","MoKα","","0.0264","0.0223","","","0.0545","0.0568","","","","","","1.027","","","","has coordinates","238049","2020-10-21","18:00:00",""
"4089238","10.407","0.002","16.421","0.004","19.039","0.004","90","","94.305","0.003","90","","3244.5","1.2","150","2","150","2","","","","","","","","8","P 1 21/n 1","-P 2yn","14","","","","- C31 H41 B F3 O3 P2 Rh S -","- C31 H41 B F3 O3 P2 Rh S -","- C124 H164 B4 F12 O12 P8 Rh4 S4 -","4","1","","Shih, Wei-Chun; Gu, Weixing; MacInnis, Morgan C.; Herbert, David E.; Ozerov, Oleg V.","Boryl/Borane Interconversion and Diversity of Binding Modes of Oxygenous Ligands in PBP Pincer Complexes of Rhodium","Organometallics","2017","36","9","1718","","10.1021/acs.organomet.7b00070","","","0.71073","MoKα","","0.0707","0.047","","","0.0891","0.0989","","","","","","1.028","","","","has coordinates","238049","2020-10-21","18:00:00",""
"4089239","9.3913","0.0019","15.521","0.003","12.764","0.003","90","","92.23","0.03","90","","1859.1","0.7","123","2","123","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C40 H52 Li2 N2 O4 -","- C40 H52 Li2 N2 O4 -","- C80 H104 Li4 N4 O8 -","2","1","","Border, Emily C.; Maguire, Melissa; MacLellan, Jonathan G.; Andrews, Philip C.","Metal-Induced C‒N Bond Cleavage in the Decomposition of Alkali (R,R)-Bis(α-methylbenzyl)amide Complexes","Organometallics","2017","36","8","1496","","10.1021/acs.organomet.7b00074","","","0.71073","MoKα","","0.0625","0.0418","","","0.081","0.088","","","","","","1.024","","","","has coordinates","238051","2020-10-21","18:00:00",""
"4089240","16.0729","0.0009","27.9462","0.0016","10.8469","0.0005","90","","90","","90","","4872.2","0.5","123","2","123","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C44 H72 Li2 N8 O2 P2 -","- C44 H72 Li2 N8 O2 P2 -","- C176 H288 Li8 N32 O8 P8 -","4","1","","Border, Emily C.; Maguire, Melissa; MacLellan, Jonathan G.; Andrews, Philip C.","Metal-Induced C‒N Bond Cleavage in the Decomposition of Alkali (R,R)-Bis(α-methylbenzyl)amide Complexes","Organometallics","2017","36","8","1496","","10.1021/acs.organomet.7b00074","","","0.71073","MoKα","","0.0997","0.0902","","","0.1952","0.199","","","","","","1.23","","","","has coordinates,has disorder","238051","2020-10-21","18:00:00",""
"4089241","12.032","0.002","9.1089","0.0018","10.178","0.002","90","","90","","90","","1115.5","0.4","123","2","123","2","","","","","","","","4","P 21 21 2","P 2 2ab","18","","","","- C22 H34 Li N3 -","- C22 H34 Li N3 -","- C44 H68 Li2 N6 -","2","0.5","","Border, Emily C.; Maguire, Melissa; MacLellan, Jonathan G.; Andrews, Philip C.","Metal-Induced C‒N Bond Cleavage in the Decomposition of Alkali (R,R)-Bis(α-methylbenzyl)amide Complexes","Organometallics","2017","36","8","1496","","10.1021/acs.organomet.7b00074","","","0.71073","MoKα","","0.0531","0.0389","","","0.0979","0.1035","","","","","","1.034","","","","has coordinates","238051","2020-10-21","18:00:00",""
"4089242","9.7405","0.0019","13.242","0.003","28.184","0.006","90","","90","","90","","3635.3","1.3","123","2","123","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C40 H52 Li0.76 N2 Na1.24 O2 -","- C40 H52 Li0.76 N2 Na1.24 O2 -","- C160 H208 Li3.04 N8 Na4.96 O8 -","4","1","","Border, Emily C.; Maguire, Melissa; MacLellan, Jonathan G.; Andrews, Philip C.","Metal-Induced C‒N Bond Cleavage in the Decomposition of Alkali (R,R)-Bis(α-methylbenzyl)amide Complexes","Organometallics","2017","36","8","1496","","10.1021/acs.organomet.7b00074","","","0.71073","MoKα","","0.1344","0.07","","","0.1662","0.1953","","","","","","1.02","","","","has coordinates,has disorder","238051","2020-10-21","18:00:00",""
"4089243","8.2933","0.0017","21.208","0.004","10.115","0.002","90","","90.36","0.03","90","","1779","0.6","123","2","123","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C38 H48 N4 Na2 -","- C38 H48 N4 Na2 -","- C76 H96 N8 Na4 -","2","1","","Border, Emily C.; Maguire, Melissa; MacLellan, Jonathan G.; Andrews, Philip C.","Metal-Induced C‒N Bond Cleavage in the Decomposition of Alkali (R,R)-Bis(α-methylbenzyl)amide Complexes","Organometallics","2017","36","8","1496","","10.1021/acs.organomet.7b00074","","","0.71073","MoKα","","0.1046","0.0559","","","0.0902","0.1027","","","","","","0.989","","","","has coordinates","238051","2020-10-21","18:00:00",""
"4089244","22.934","0.007","11.727","0.003","15.772","0.004","90","","103.317","0.007","90","","4128","2","100","2","100","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C24 H60 N2 O6 Si8 Zn -","- C24 H60 N2 O6 Si8 Zn -","- C96 H240 N8 O24 Si32 Zn4 -","4","0.5","","Aghazadeh Meshgi, Mohammad; Zitz, Rainer; Walewska, Małgorzata; Baumgartner, Judith; Marschner, Christoph","Tuning the Si-N Interaction in Metalated Oligosilanylsilatranes.","Organometallics","2017","36","7","1365","1371","10.1021/acs.organomet.7b00084","","","0.71073","MoKα","","0.0724","0.0638","","","0.1394","0.1443","","","","","","1.079","","","","has coordinates,has disorder","238053","2020-10-21","18:00:00",""
"4089245","11.397","0.003","11.523","0.003","21.702","0.005","90","","98.649","0.004","90","","2817.7","1.2","100","2","100","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C22 H40 Cl Hf N O3 Si4 -","- C22 H40 Cl Hf N O3 Si4 -","- C88 H160 Cl4 Hf4 N4 O12 Si16 -","4","1","","Aghazadeh Meshgi, Mohammad; Zitz, Rainer; Walewska, Małgorzata; Baumgartner, Judith; Marschner, Christoph","Tuning the Si-N Interaction in Metalated Oligosilanylsilatranes.","Organometallics","2017","36","7","1365","1371","10.1021/acs.organomet.7b00084","","","0.71073","MoKα","","0.0472","0.0433","","","0.0959","0.098","","","","","","1.132","","","","has coordinates","238053","2020-10-21","18:00:00",""
"4089246","7.679","0.003","11.337","0.004","12.014","0.005","88.725","0.006","87.958","0.006","70.28","0.006","983.9","0.7","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","","","- C12 H31 N O3 Si4 -","- C12 H31 N O3 Si4 -","- C24 H62 N2 O6 Si8 -","2","1","","Aghazadeh Meshgi, Mohammad; Zitz, Rainer; Walewska, Małgorzata; Baumgartner, Judith; Marschner, Christoph","Tuning the Si-N Interaction in Metalated Oligosilanylsilatranes.","Organometallics","2017","36","7","1365","1371","10.1021/acs.organomet.7b00084","","","0.71073","MoKα","","0.0749","0.0697","","","0.1921","0.1966","","","","","","1.082","","","","has coordinates,has disorder","238053","2020-10-21","18:00:00",""
"4089247","9.9691","0.0012","15.4589","0.0019","16.395","0.002","81.587","0.003","87.487","0.002","86.698","0.003","2493.7","0.5","100","2","100","2","","","","","","","","6","P -1","-P 1","2","","","","- C32 H76 N2 O8 Si8 Yb -","- C32 H76 N2 O8 Si8 Yb -","- C64 H152 N4 O16 Si16 Yb2 -","2","1","","Aghazadeh Meshgi, Mohammad; Zitz, Rainer; Walewska, Małgorzata; Baumgartner, Judith; Marschner, Christoph","Tuning the Si-N Interaction in Metalated Oligosilanylsilatranes.","Organometallics","2017","36","7","1365","1371","10.1021/acs.organomet.7b00084","","","0.71073","MoKα","","0.113","0.0807","","","0.173","0.191","","","","","","0.95","","","","has coordinates","238053","2020-10-21","18:00:00",""
"4089248","9.1954","0.0011","10.4431","0.0012","18.338","0.002","99.9","0.002","90.312","0.002","105.508","0.002","1669.1","0.3","203","2","203","2","","","","","","","","5","P -1","-P 1","2","","","","- C35 H34 Cl4 N4 Pd -","- C35 H34 Cl4 N4 Pd -","- C70 H68 Cl8 N8 Pd2 -","2","1","","Tang, Junkai; He, Yu; Yu, Jianfeng; Zhang, Dao","N,N′-Bisaryl Substituted Chiral Linker-Bridged Bis(N-Heterocyclic Carbene) Palladium Complexes: Design, Synthesis, and Catalytic Properties","Organometallics","2017","36","7","1372","","10.1021/acs.organomet.7b00092","","","0.71073","MoKα","","0.052","0.0459","","","0.1394","0.1581","","","","","","1.195","","","","has coordinates,has disorder","238054","2020-10-21","18:00:00",""
"4089249","11.588","","13.0862","","15.1599","","90.085","","104.789","","107.727","","2109.35","","113","","113","","","","","","","","","4","P -1","-P 1","2","","","","- C16 H12 F18 Pt -","- C16 H12 F18 Pt -","- C64 H48 F72 Pt4 -","4","2","","Suzaki, Yuji; Kiho, Minetada; Osakada, Kohtaro","Fluoroalkylation of a Methylplatinum(II) Complex under Photoirradiation","Organometallics","2017","36","7","1391","","10.1021/acs.organomet.7b00098","","","0.71075","MoKα","","","0.0381","","","","0.0872","","","","","","0.943","","","","has coordinates","254835","2020-10-21","18:00:00",""
"4089250","15.5231","0.0008","11.2614","0.0006","21.4757","0.0011","90","","109.462","0.001","90","","3539.7","0.3","90","","90","","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C35 H26 F18 P2 Pt -","- C35 H26 F18 P2 Pt -","- C140 H104 F72 P8 Pt4 -","4","1","","Suzaki, Yuji; Kiho, Minetada; Osakada, Kohtaro","Fluoroalkylation of a Methylplatinum(II) Complex under Photoirradiation","Organometallics","2017","36","7","1391","","10.1021/acs.organomet.7b00098","","","0.71073","MoKα","","0.0252","0.0244","","","0.0644","0.0649","","","","","","1.055","","","","has coordinates","238055","2020-10-21","18:00:00",""
"4089251","14.193","0.004","8.996","0.002","24.859","0.007","90","","97.673","0.004","90","","3145.6","1.4","100","2","100","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C36 H39 Al Cl2 N2 O2 -","- C36 H39 Al Cl2 N2 O2 -","- C144 H156 Al4 Cl8 N8 O8 -","4","1","","Luo, Wenlong; Shi, Tong; Liu, Shaofeng; Zuo, Weiwei; Li, Zhibo","Well-Designed Unsymmetrical Salphen-Al Complexes: Synthesis, Characterization, and Ring-Opening Polymerization Catalysis","Organometallics","2017","36","9","1736","","10.1021/acs.organomet.7b00106","","","0.71073","MoKα","","0.0646","0.0435","","","0.1037","0.1125","","","","","","1.008","","","","has coordinates","238057","2020-10-21","18:00:00",""
"4089252","9.639","0.003","12.721","0.002","14.367","0.002","84.612","0.01","79.772","0.01","71.288","0.009","1640.7","0.6","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","","","- C37 H49 Al N2 O2 -","- C37 H49 Al N2 O2 -","- C74 H98 Al2 N4 O4 -","2","1","","Luo, Wenlong; Shi, Tong; Liu, Shaofeng; Zuo, Weiwei; Li, Zhibo","Well-Designed Unsymmetrical Salphen-Al Complexes: Synthesis, Characterization, and Ring-Opening Polymerization Catalysis","Organometallics","2017","36","9","1736","","10.1021/acs.organomet.7b00106","","","0.71073","MoKα","","0.2252","0.0956","","","0.1664","0.2179","","","","","","1.184","","","","has coordinates","238057","2020-10-21","18:00:00",""
"4089253","10.5891","0.0015","18.986","0.003","19.57","0.003","90","","93.433","0.003","90","","3927.4","1","123","2","123.15","","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","LY-661","","- C40 H51 Cl N2 O3 Sn W -","- C40 H51 Cl N2 O3 Sn W -","- C160 H204 Cl4 N8 O12 Sn4 W4 -","4","1","","Lebedev, Yury N.; Das, Ujjal; Schnakenburg, Gregor; Filippou, Alexander C.","Coordination Chemistry of [E(Idipp)]2+ Ligands (E = Ge, Sn): Metal Germylidyne [Cp*(CO)2W≡Ge(Idipp)]+ and Metallotetrylene [Cp*(CO)3W‒E(Idipp)]+ Cations","Organometallics","2017","36","8","1530","","10.1021/acs.organomet.7b00110","","","0.71073","MoKα","","0.0394","0.0309","","","0.0578","0.0601","","","","","","1.147","","","","has coordinates","238059","2020-10-21","18:00:00",""
"4089254","10.8687","0.0002","25.9736","0.0005","16.0387","0.0002","90","","118.827","0.001","90","","3966.64","0.12","123","2","123.15","","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","LY-703","","- C40 H53.5 Cl Ge N2 O2.25 W -","- C40 H53.5 Cl Ge N2 O2.25 W -","- C160 H214 Cl4 Ge4 N8 O9 W4 -","4","1","","Lebedev, Yury N.; Das, Ujjal; Schnakenburg, Gregor; Filippou, Alexander C.","Coordination Chemistry of [E(Idipp)]2+ Ligands (E = Ge, Sn): Metal Germylidyne [Cp*(CO)2W≡Ge(Idipp)]+ and Metallotetrylene [Cp*(CO)3W‒E(Idipp)]+ Cations","Organometallics","2017","36","8","1530","","10.1021/acs.organomet.7b00110","","","0.71073","MoKα","","0.0842","0.0404","","","0.0808","0.0912","","","","","","0.933","","","","has coordinates,has disorder","238059","2020-10-21","18:00:00",""
"4089255","20.861","0.0003","18.8392","0.0003","21.7896","0.0003","90","","111.774","0.0009","90","","7952.4","0.2","123","","123.15","","","","","","","","","8","P 1 21/c 1","-P 2ybc","14","","LY-804","","- C75 H73 B F24 Ge N2 O3 W -","- C75 H73 B F24 Ge N2 O3 W -","- C300 H292 B4 F96 Ge4 N8 O12 W4 -","4","1","","Lebedev, Yury N.; Das, Ujjal; Schnakenburg, Gregor; Filippou, Alexander C.","Coordination Chemistry of [E(Idipp)]2+ Ligands (E = Ge, Sn): Metal Germylidyne [Cp*(CO)2W≡Ge(Idipp)]+ and Metallotetrylene [Cp*(CO)3W‒E(Idipp)]+ Cations","Organometallics","2017","36","8","1530","","10.1021/acs.organomet.7b00110","","","0.71073","MoKα","","0.0675","0.045","","","0.129","0.1411","","","","","","1.023","","","","has coordinates,has disorder","238059","2020-10-21","18:00:00",""
"4089256","18.626","0.0004","21.2391","0.0006","18.855","0.0003","90","","104.024","0.0013","90","","7236.7","0.3","123","2","123","","","","","","","","","8","P 1 21/n 1","-P 2yn","14","","LY-371","","- C59 H54 Al F36 N2 O7 Sn W -","- C59 H54 Al F36 N2 O7 Sn W -","- C236 H216 Al4 F144 N8 O28 Sn4 W4 -","4","1","","Lebedev, Yury N.; Das, Ujjal; Schnakenburg, Gregor; Filippou, Alexander C.","Coordination Chemistry of [E(Idipp)]2+ Ligands (E = Ge, Sn): Metal Germylidyne [Cp*(CO)2W≡Ge(Idipp)]+ and Metallotetrylene [Cp*(CO)3W‒E(Idipp)]+ Cations","Organometallics","2017","36","8","1530","","10.1021/acs.organomet.7b00110","","","0.71073","MoKα","","0.0682","0.0422","","","0.106","0.1157","","","","","","0.983","","","","has coordinates,has disorder","238059","2020-10-21","18:00:00",""
"4089257","9.7329","0.0004","11.4817","0.0004","17.9096","0.0007","74.516","0.003","87.849","0.003","83.575","0.003","1916.59","0.13","123","2","123","2","","","","","","","","6","P -1","-P 1","2","","LY-912","","- C35 H60 Ge N6 O4 W -","- C35 H60 Ge N6 O4 W -","- C70 H120 Ge2 N12 O8 W2 -","2","1","","Lebedev, Yury N.; Das, Ujjal; Schnakenburg, Gregor; Filippou, Alexander C.","Coordination Chemistry of [E(Idipp)]2+ Ligands (E = Ge, Sn): Metal Germylidyne [Cp*(CO)2W≡Ge(Idipp)]+ and Metallotetrylene [Cp*(CO)3W‒E(Idipp)]+ Cations","Organometallics","2017","36","8","1530","","10.1021/acs.organomet.7b00110","","","0.71073","MoKα","","0.0498","0.0445","","","0.1105","0.1124","","","","","","0.981","","","","has coordinates","238059","2020-10-21","18:00:00",""
"4089258","8.969","0.0004","12.5726","0.0006","15.2414","0.0008","88.736","0.002","85.302","0.002","80.633","0.002","1690","0.14","100","","100","","","","","","","","see text","6","P -1","-P 1","2","","","","- C40 H42 Cl2 O2 Si Ti -","- C40 H42 Cl2 O2 Si Ti -","- C80 H84 Cl4 O4 Si2 Ti2 -","2","1","","Machat, Martin R.; Jandl, Christian; Rieger, Bernhard","Titanocenes in Olefin Polymerization: Sustainable Catalyst System or an Extinct Species?","Organometallics","2017","36","7","1408","","10.1021/acs.organomet.7b00112","","x-ray","0.71073","MoKα","","0.0455","0.0322","","","0.0738","0.0798","","","","","","1.013","","","","has coordinates","238061","2020-10-21","18:00:00",""
"4089259","17.0174","0.0009","13.5503","0.0009","20.5662","0.0015","90","","90","","90","","4742.4","0.5","101","","101","","","","","","","","see text","6","P b c n","-P 2n 2ab","60","","","","- C52 H66 Cl2 O2 Si Ti -","- C52 H66 Cl2 O2 Si Ti -","- C208 H264 Cl8 O8 Si4 Ti4 -","4","0.5","","Machat, Martin R.; Jandl, Christian; Rieger, Bernhard","Titanocenes in Olefin Polymerization: Sustainable Catalyst System or an Extinct Species?","Organometallics","2017","36","7","1408","","10.1021/acs.organomet.7b00112","","x-ray","0.71073","MoKα","","0.0438","0.0371","","","0.098","0.1014","","","","","","1.125","","","","has coordinates","238061","2020-10-21","18:00:00",""
"4089260","26.0058","0.0018","9.8108","0.0007","18.285","0.002","90","","133.589","0.002","90","","3379","0.5","100","","100","","","","","","","","see text","5","C 1 2/c 1","-C 2yc","15","","","","- C42 H48 O2 Si Ti -","- C42 H48 O2 Si Ti -","- C168 H192 O8 Si4 Ti4 -","4","0.5","","Machat, Martin R.; Jandl, Christian; Rieger, Bernhard","Titanocenes in Olefin Polymerization: Sustainable Catalyst System or an Extinct Species?","Organometallics","2017","36","7","1408","","10.1021/acs.organomet.7b00112","","x-ray","0.71073","MoKα","","0.0306","0.0298","","","0.087","0.0879","","","","","","1.063","","","","has coordinates","238061","2020-10-21","18:00:00",""
"4089261","17.0522","0.0007","13.6012","0.0006","20.6542","0.0009","90","","90","","90","","4790.3","0.4","100","","100","","","","","","","","see text","5","P b c n","-P 2n 2ab","60","","","","- C54 H72 O2 Si Ti -","- C54 H72 O2 Si Ti -","- C216 H288 O8 Si4 Ti4 -","4","0.5","","Machat, Martin R.; Jandl, Christian; Rieger, Bernhard","Titanocenes in Olefin Polymerization: Sustainable Catalyst System or an Extinct Species?","Organometallics","2017","36","7","1408","","10.1021/acs.organomet.7b00112","","x-ray","0.71073","MoKα","","0.0385","0.0336","","","0.0841","0.0869","","","","","","1.035","","","","has coordinates","238061","2020-10-21","18:00:00",""
"4089262","35.363","0.003","14.749","0.0013","27.309","0.002","90","","124.423","0.002","90","","11749.3","1.7","113","2","113","2","","","","","","","","7","C 1 2/c 1","-C 2yc","15","","","","- C52 H34 Fe4 O12 P2 Pd S6 -","- C52 H34 Fe4 O12 P2 Pd S6 -","- C416 H272 Fe32 O96 P16 Pd8 S48 -","8","1","","Song, Li-Cheng; Zhang, Long-Duo; Liu, Bei-Bei; Ding, Shu-Da; Chen, Hao; Xu, Xiu-Fang; Fan, Gui-Lan","Synthetic and Structural Studies on Linear and Macrocyclic Pd- and Pt-Bridged Butterfly Fe/S Cluster Complexes","Organometallics","2017","36","7","1419","","10.1021/acs.organomet.7b00117","","","0.71075","MoKα","","0.066","0.0535","","","0.0952","0.1004","","","","","","1.135","","","","has coordinates","238064","2020-10-21","18:00:00",""
"4089263","14.633","0.004","23.032","0.005","22.401","0.005","90","","108.993","0.005","90","","7139","3","113","","113","","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C54 H38 Fe4 O12 P2 Pt S6 -","- C54 H38 Fe4 O12 P2 Pt S6 -","- C216 H152 Fe16 O48 P8 Pt4 S24 -","4","1","","Song, Li-Cheng; Zhang, Long-Duo; Liu, Bei-Bei; Ding, Shu-Da; Chen, Hao; Xu, Xiu-Fang; Fan, Gui-Lan","Synthetic and Structural Studies on Linear and Macrocyclic Pd- and Pt-Bridged Butterfly Fe/S Cluster Complexes","Organometallics","2017","36","7","1419","","10.1021/acs.organomet.7b00117","","","0.71073","MoKα","","0.0414","0.0361","","","0.0921","0.0952","","","","","","1.049","","","","has coordinates","238064","2020-10-21","18:00:00",""
"4089264","15.3709","0.0003","34.0985","0.0007","25.7071","0.0005","90","","100.151","0.002","90","","13262.8","0.5","99.9","0.2","99.9","0.2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C86 H60 Fe8 O24 P4 Pd2 S12 -","- C86 H60 Fe8 O24 P4 Pd2 S12 -","- C344 H240 Fe32 O96 P16 Pd8 S48 -","4","1","","Song, Li-Cheng; Zhang, Long-Duo; Liu, Bei-Bei; Ding, Shu-Da; Chen, Hao; Xu, Xiu-Fang; Fan, Gui-Lan","Synthetic and Structural Studies on Linear and Macrocyclic Pd- and Pt-Bridged Butterfly Fe/S Cluster Complexes","Organometallics","2017","36","7","1419","","10.1021/acs.organomet.7b00117","","","0.7107","MoKα","","0.0885","0.0659","","","0.1659","0.1794","","","","","","1.1","","","","has coordinates,has disorder","238064","2020-10-21","18:00:00",""
"4089265","8.4174","0.0013","15.627","0.004","21.286","0.005","90","","90","","90","","2799.9","1.1","170","2","170","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C14 H17 B N2 O2 -","- C14 H17 B N2 O2 -","- C112 H136 B8 N16 O16 -","8","2","","Zhang, Ying; Dan, Wenyan; Fang, Xiangdong","Metal Nitrate Mediated Regioselective Nitration of BN-Substituted Arenes","Organometallics","2017","36","9","1677","","10.1021/acs.organomet.7b00120","","","1.54178","CuKα","","0.0422","0.0384","","","0.0956","0.0986","","","","","","1.043","","","","has coordinates","238066","2020-10-21","18:00:00",""
"4089266","22.097","0.002","8.6341","0.0008","34.242","0.004","90","","107.183","0.004","90","","6241.4","1.1","293","2","293","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C14 H16 B Br N2 O2 -","- C14 H16 B Br N2 O2 -","- C224 H256 B16 Br16 N32 O32 -","16","2","","Zhang, Ying; Dan, Wenyan; Fang, Xiangdong","Metal Nitrate Mediated Regioselective Nitration of BN-Substituted Arenes","Organometallics","2017","36","9","1677","","10.1021/acs.organomet.7b00120","","","1.54178","CuKα","","0.0856","0.072","","","0.2081","0.2204","","","","","","1.067","","","","has coordinates","252331","2020-10-21","18:00:00",""
"4089267","9.21881","0.00005","15.8494","0.0001","19.1946","0.0002","69.2437","0.0006","89.6675","0.0005","74.8108","0.0005","2519.13","0.04","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","","","- C36 H55 Cl13 Ir2 N6 -","- C36 H55 Cl13 Ir2 N6 -","- C72 H110 Cl26 Ir4 N12 -","2","1","","Vivancos, Ángela; Albrecht, Martin","Influence of the Linker Length and Coordination Mode of (Di)Triazolylidene Ligands on the Structure and Catalytic Transfer Hydrogenation Activity of Iridium(III) Centers","Organometallics","2017","36","8","1580","","10.1021/acs.organomet.7b00140","","","0.71073","MoKα","","0.0267","0.0244","","","0.0542","0.0551","","","","","","1.118","","","","has coordinates,has disorder","238068","2020-10-21","18:00:00",""
"4089268","16.879","0.0002","10.8244","0.0001","18.1682","0.0002","90","","109.557","0.001","90","","3127.92","0.06","173","2","173","2","","","","","","","","8","P 1 21/c 1","-P 2ybc","14","","","","- C23 H34 Cl4 F3 Ir N6 O3 S -","- C23 H34 Cl4 F3 Ir N6 O3 S -","- C92 H136 Cl16 F12 Ir4 N24 O12 S4 -","4","1","","Vivancos, Ángela; Albrecht, Martin","Influence of the Linker Length and Coordination Mode of (Di)Triazolylidene Ligands on the Structure and Catalytic Transfer Hydrogenation Activity of Iridium(III) Centers","Organometallics","2017","36","8","1580","","10.1021/acs.organomet.7b00140","","x-ray","0.71073","MoKα","","0.0254","0.0212","","","0.0471","0.0493","","","","","","1.047","","","","has coordinates","238070","2020-10-21","18:00:00",""
"4089269","8.8767","0.0002","10.5633","0.0003","15.0934","0.0005","93.064","0.003","101.394","0.003","96.149","0.002","1375.34","0.07","173","2","173","2","","","","","","","","8","P -1","-P 1","2","","","","- C23 H35 Cl F3 Ir N6 O3 S -","- C23 H35 Cl F3 Ir N6 O3 S -","- C46 H70 Cl2 F6 Ir2 N12 O6 S2 -","2","1","","Vivancos, Ángela; Albrecht, Martin","Influence of the Linker Length and Coordination Mode of (Di)Triazolylidene Ligands on the Structure and Catalytic Transfer Hydrogenation Activity of Iridium(III) Centers","Organometallics","2017","36","8","1580","","10.1021/acs.organomet.7b00140","","x-ray","0.71073","MoKα","","0.0217","0.0196","","","0.0446","0.0457","","","","","","1.036","","","","has coordinates","238071","2020-10-21","18:00:00",""
"4089270","18.8969","0.0003","11.72073","0.00011","16.07406","0.00018","90","","102.679","0.0013","90","","3473.36","0.08","173","2","173","2","","","","","","","","8","P 1 21/c 1","-P 2ybc","14","","","","- C25 H40 Cl4 F3 Ir N6 O3 S -","- C25 H40 Cl4 F3 Ir N6 O3 S -","- C100 H160 Cl16 F12 Ir4 N24 O12 S4 -","4","1","","Vivancos, Ángela; Albrecht, Martin","Influence of the Linker Length and Coordination Mode of (Di)Triazolylidene Ligands on the Structure and Catalytic Transfer Hydrogenation Activity of Iridium(III) Centers","Organometallics","2017","36","8","1580","","10.1021/acs.organomet.7b00140","","x-ray","0.71073","MoKα","","0.0417","0.0279","","","0.0559","0.0613","","","","","","1.05","","","","has coordinates,has disorder","238073","2020-10-21","18:00:00",""
"4089271","18.4654","0.0001","19.847","0.0001","18.5064","0.0001","90","","109.832","0.001","90","","6380.03","0.07","123","2","123","2","","","","","","","","8","P 1 21/c 1","-P 2ybc","14","","","","- C25 H39 Cl3 F3 Ir N6 O3 S -","- C25 H39 Cl3 F3 Ir N6 O3 S -","- C200 H312 Cl24 F24 Ir8 N48 O24 S8 -","8","2","","Vivancos, Ángela; Albrecht, Martin","Influence of the Linker Length and Coordination Mode of (Di)Triazolylidene Ligands on the Structure and Catalytic Transfer Hydrogenation Activity of Iridium(III) Centers","Organometallics","2017","36","8","1580","","10.1021/acs.organomet.7b00140","","x-ray","0.71073","MoKα","","0.0356","0.0219","","","0.0403","0.0447","","","","","","1.049","","","","has coordinates,has disorder","238074","2020-10-21","18:00:00",""
"4089272","10.4681","0.0002","24.8842","0.0004","11.5964","0.0002","90","","117.508","0.002","90","","2679.24","0.09","123","2","123","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C36 H54 Cl16 Ir2 N6 -","- C36 H54 Cl16 Ir2 N6 -","- C72 H108 Cl32 Ir4 N12 -","2","0.5","","Vivancos, Ángela; Albrecht, Martin","Influence of the Linker Length and Coordination Mode of (Di)Triazolylidene Ligands on the Structure and Catalytic Transfer Hydrogenation Activity of Iridium(III) Centers","Organometallics","2017","36","8","1580","","10.1021/acs.organomet.7b00140","","x-ray","0.71073","MoKα","","0.0437","0.0329","","","0.0718","0.0777","","","","","","1.053","","","","has coordinates","238076","2020-10-21","18:00:00",""
"4089273","8.3203","0.0001","28.1336","0.0004","12.7118","0.0002","90","","105.001","0.002","90","","2874.17","0.08","143","2","143","2","","","","","","","","8","P 1 21 1","P 2yb","4","","","","- C23 H35 Cl F3 Ir N6 O4 S -","- C23 H35 Cl F3 Ir N6 O4 S -","- C92 H140 Cl4 F12 Ir4 N24 O16 S4 -","4","2","","Vivancos, Ángela; Albrecht, Martin","Influence of the Linker Length and Coordination Mode of (Di)Triazolylidene Ligands on the Structure and Catalytic Transfer Hydrogenation Activity of Iridium(III) Centers","Organometallics","2017","36","8","1580","","10.1021/acs.organomet.7b00140","","x-ray","0.71073","MoKα","","0.0268","0.025","","","0.0461","0.0469","","","","","","1.026","","","","has coordinates","238078","2020-10-21","18:00:00",""
"4089274","9.6399","0.0001","12.2126","0.0002","12.6176","0.0002","104.382","0.001","96.287","0.001","110.28","0.001","1318.05","0.04","173","2","173","2","","","","","","","","8","P -1","-P 1","2","","","","- C21 H31 Cl F3 Ir N6 O3 S -","- C21 H31 Cl F3 Ir N6 O3 S -","- C42 H62 Cl2 F6 Ir2 N12 O6 S2 -","2","1","","Vivancos, Ángela; Albrecht, Martin","Influence of the Linker Length and Coordination Mode of (Di)Triazolylidene Ligands on the Structure and Catalytic Transfer Hydrogenation Activity of Iridium(III) Centers","Organometallics","2017","36","8","1580","","10.1021/acs.organomet.7b00140","","x-ray","0.71073","MoKα","","0.0341","0.0293","","","0.0757","0.0792","","","","","","1.09","","","","has coordinates,has disorder","238080","2020-10-21","18:00:00",""
"4089275","12.6608","0.0002","8.6357","0.0001","13.6532","0.0001","90","","106.37","0.001","90","","1432.26","0.03","173","2","173","2","","","","","","","","8","P 1 21 1","P 2yb","4","","","","- C21 H32 Cl2 F3 Ir N6 O3 S -","- C21 H32 Cl2 F3 Ir N6 O3 S -","- C42 H64 Cl4 F6 Ir2 N12 O6 S2 -","2","1","","Vivancos, Ángela; Albrecht, Martin","Influence of the Linker Length and Coordination Mode of (Di)Triazolylidene Ligands on the Structure and Catalytic Transfer Hydrogenation Activity of Iridium(III) Centers","Organometallics","2017","36","8","1580","","10.1021/acs.organomet.7b00140","","x-ray","0.71073","MoKα","","0.021","0.0185","","","0.0373","0.0385","","","","","","1.047","","","","has coordinates","238082","2020-10-21","18:00:00",""
"4089276","10.2485","0.0004","11.6566","0.0003","12.6087","0.0003","102.903","0.002","90.227","0.003","94.368","0.003","1463.63","0.08","123","2","123","2","","","","","","","","8","P -1","-P 1","2","","","","- C23 H36 Cl2 F3 Ir N6 O3 S -","- C23 H36 Cl2 F3 Ir N6 O3 S -","- C46 H72 Cl4 F6 Ir2 N12 O6 S2 -","2","1","","Vivancos, Ángela; Albrecht, Martin","Influence of the Linker Length and Coordination Mode of (Di)Triazolylidene Ligands on the Structure and Catalytic Transfer Hydrogenation Activity of Iridium(III) Centers","Organometallics","2017","36","8","1580","","10.1021/acs.organomet.7b00140","","x-ray","0.71073","MoKα","","0.0243","0.0212","","","0.0462","0.0478","","","","","","1.057","","","","has coordinates","238083","2020-10-21","18:00:00",""
"4089277","16.7304","0.0005","9.4485","0.0002","22.4685","0.0007","90","","107.861","0.001","90","","3380.58","0.16","173","2","173","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C24 H49 Bi Br2 Si4 -","- C24 H49 Bi Br2 Si4 -","- C96 H196 Bi4 Br8 Si16 -","4","1","","Majhi, Paresh Kumar; Ikeda, Hideaki; Sasamori, Takahiro; Tsurugi, Hayato; Mashima, Kazushi; Tokitoh, Norihiro","Inorganic-Salt-Free Reduction in Main-Group Chemistry: Synthesis of a Dibismuthene and a Distibene","Organometallics","2017","36","7","1224","","10.1021/acs.organomet.7b00147","","","0.71075","MoKα","","0.0712","0.0366","","","0.0587","0.0665","","","","","","1.006","","","","has coordinates","238085","2020-10-21","18:00:00",""
"4089278","16.7767","0.0004","9.4452","0.0003","22.4844","0.0006","90","","107.166","0.002","90","","3404.15","0.17","173","2","173","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C24 H49 Br2 Sb Si4 -","- C24 H49 Br2 Sb Si4 -","- C96 H196 Br8 Sb4 Si16 -","4","1","","Majhi, Paresh Kumar; Ikeda, Hideaki; Sasamori, Takahiro; Tsurugi, Hayato; Mashima, Kazushi; Tokitoh, Norihiro","Inorganic-Salt-Free Reduction in Main-Group Chemistry: Synthesis of a Dibismuthene and a Distibene","Organometallics","2017","36","7","1224","","10.1021/acs.organomet.7b00147","","","0.71075","MoKα","","0.0567","0.034","","","0.0845","0.0903","","","","","","1.044","","","","has coordinates","238085","2020-10-21","18:00:00",""
"4089279","16.6006","0.0013","9.3648","0.0008","21.24","0.002","90","","102.809","0.005","90","","3219.8","0.5","103","2","103","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C48 H98 Bi2 Si8 -","- C48 H98 Bi2 Si8 -","- C96 H196 Bi4 Si16 -","2","0.5","","Majhi, Paresh Kumar; Ikeda, Hideaki; Sasamori, Takahiro; Tsurugi, Hayato; Mashima, Kazushi; Tokitoh, Norihiro","Inorganic-Salt-Free Reduction in Main-Group Chemistry: Synthesis of a Dibismuthene and a Distibene","Organometallics","2017","36","7","1224","","10.1021/acs.organomet.7b00147","","","0.71075","MoKα","","0.0588","0.0315","","","0.0633","0.0935","","","","","","1.105","","","","has coordinates","238085","2020-10-21","18:00:00",""
"4089280","16.3034","0.0003","9.2632","0.0002","20.9519","0.0006","90","","102.012","0.0013","90","","3094.91","0.13","103","2","103","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C48 H98 Sb2 Si8 -","- C48 H98 Sb2 Si8 -","- C96 H196 Sb4 Si16 -","2","0.5","","Majhi, Paresh Kumar; Ikeda, Hideaki; Sasamori, Takahiro; Tsurugi, Hayato; Mashima, Kazushi; Tokitoh, Norihiro","Inorganic-Salt-Free Reduction in Main-Group Chemistry: Synthesis of a Dibismuthene and a Distibene","Organometallics","2017","36","7","1224","","10.1021/acs.organomet.7b00147","","","0.71075","MoKα","","0.0416","0.0287","","","0.0614","0.0659","","","","","","1.042","","","","has coordinates","238085","2020-10-21","18:00:00",""
"4089281","24.029","0.002","14.7584","0.0012","20.3216","0.0017","90","","106.291","0.002","90","","6917.3","1","100","","100","","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C67 H111 N2 O3 Si3 Y -","- C67 H111 N2 O3 Si3 Y -","- C268 H444 N8 O12 Si12 Y4 -","4","1","","Motolko, Kelly S. A.; Emslie, David J. H.; Jenkins, Hilary A.","Yttrium and Aluminum Alkyl Complexes of a Rigid Bis-Anilido NON-Donor Ligand: Synthesis and Hydroamination Catalysis","Organometallics","2017","36","8","1601","","10.1021/acs.organomet.7b00156","","","0.71073","MoKα","","0.106","0.0533","","","0.1049","0.1221","","","","","","1.001","","","","has coordinates,has disorder","238087","2020-10-21","18:00:00",""
"4089282","21.812","0.003","12.0055","0.0019","27.328","0.004","90","","101.616","0.004","90","","7009.7","1.8","100","2","100","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C67 H113 Al N2 O3 Si2 Y -","- C67 H113 Al N2 O3 Si2 Y -","- C268 H452 Al4 N8 O12 Si8 Y4 -","4","1","","Motolko, Kelly S. A.; Emslie, David J. H.; Jenkins, Hilary A.","Yttrium and Aluminum Alkyl Complexes of a Rigid Bis-Anilido NON-Donor Ligand: Synthesis and Hydroamination Catalysis","Organometallics","2017","36","8","1601","","10.1021/acs.organomet.7b00156","","","0.71073","MoKα","","0.1998","0.1233","","","0.2467","0.2819","","","","","","1.041","","","","has coordinates,has disorder","238087","2020-10-21","18:00:00",""
"4089283","19.33","0.002","29.736","0.002","20.4953","0.0014","90","","108.901","0.002","90","","11145.4","1.6","100","2","100","2","","","","","","","","6","I 1 2/a 1","-I 2ya","15","","","","- C114 H172 Al2 N4 O3 Si2 -","- C114 H172 Al2 N4 O3 Si2 -","- C456 H688 Al8 N16 O12 Si8 -","4","0.5","","Motolko, Kelly S. A.; Emslie, David J. H.; Jenkins, Hilary A.","Yttrium and Aluminum Alkyl Complexes of a Rigid Bis-Anilido NON-Donor Ligand: Synthesis and Hydroamination Catalysis","Organometallics","2017","36","8","1601","","10.1021/acs.organomet.7b00156","","","0.71073","MoKα","","0.0842","0.0522","","","0.1249","0.1427","","","","","","1.036","","","","has coordinates,has disorder","288470","2023-12-21","09:48:44",""
"4089284","15.444","0.01","7.248","0.006","9.692","0.007","90","","109.616","0.011","90","","1021.9","1.3","296","2","296","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C4 H8 N Ni0.5 S -","- C4 H8 N Ni0.5 S -","- C32 H64 N8 Ni4 S8 -","8","1","","Zhao, Tiankun; Ghosh, Pokhraj; Martinez, Zachary; Liu, Xufeng; Meng, Xianggao; Darensbourg, Marcetta Y.","Discrete Air-Stable Nickel(II)‒Palladium(II) Complexes as Catalysts for Suzuki‒Miyaura Reactions","Organometallics","2017","36","9","1822","","10.1021/acs.organomet.7b00176","","","0.71073","MoKα","","0.0249","0.0232","","","0.0565","0.0576","","","","","","1.094","","","","has coordinates","238090","2020-10-21","18:00:00",""
"4089285","27.491","0.008","11.413","0.003","13.66","0.004","90","","90","","90","","4286","2","110","2","110","2","","","","","","","","8","P c a 21","P 2c -2ac","29","C36H43F12N3NiP4PdS2","C36H43F12N3NiP4PdS2","","- C36 H43 F12 N3 Ni P4 Pd S2 -","- C36 H43 F12 N3 Ni P4 Pd S2 -","- C144 H172 F48 N12 Ni4 P16 Pd4 S8 -","4","1","","Zhao, Tiankun; Ghosh, Pokhraj; Martinez, Zachary; Liu, Xufeng; Meng, Xianggao; Darensbourg, Marcetta Y.","Discrete Air-Stable Nickel(II)‒Palladium(II) Complexes as Catalysts for Suzuki‒Miyaura Reactions","Organometallics","2017","36","9","1822","","10.1021/acs.organomet.7b00176","","","0.71073","MoKα","","0.0221","0.0214","","","0.0558","0.0561","","","","","","1.032","","","","has coordinates","238090","2020-10-21","18:00:00",""
"4089286","11.3512","0.001","25.427","0.002","15.7007","0.0013","90","","100.983","0.0011","90","","4448.6","0.6","110","2","110","2","","","","","","","","8","C 1 c 1","C -2yc","9","C39H48F12N4NiP4PdS2","","","- C39 H48 F12 N4 Ni P4 Pd S2 -","- C39 H48 F12 N4 Ni P4 Pd S2 -","- C156 H192 F48 N16 Ni4 P16 Pd4 S8 -","4","1","","Zhao, Tiankun; Ghosh, Pokhraj; Martinez, Zachary; Liu, Xufeng; Meng, Xianggao; Darensbourg, Marcetta Y.","Discrete Air-Stable Nickel(II)‒Palladium(II) Complexes as Catalysts for Suzuki‒Miyaura Reactions","Organometallics","2017","36","9","1822","","10.1021/acs.organomet.7b00176","","","0.71073","MoKα","","0.0451","0.0372","","","0.0861","0.0904","","","","","","1.015","","","","has coordinates","238090","2020-10-21","18:00:00",""
"4089287","10.1451","0.0015","13.733","0.002","16.647","0.002","97.428","0.002","100.758","0.002","110.794","0.002","2081.3","0.5","296","2","296","2","","","","","","","","8","P -1","-P 1","2","","","","- C35 H42 F12 N2 Ni P4 Pd S2 -","- C35 H42 F12 N2 Ni P4 Pd S2 -","- C70 H84 F24 N4 Ni2 P8 Pd2 S4 -","2","1","","Zhao, Tiankun; Ghosh, Pokhraj; Martinez, Zachary; Liu, Xufeng; Meng, Xianggao; Darensbourg, Marcetta Y.","Discrete Air-Stable Nickel(II)‒Palladium(II) Complexes as Catalysts for Suzuki‒Miyaura Reactions","Organometallics","2017","36","9","1822","","10.1021/acs.organomet.7b00176","","","0.71073","MoKα","","0.0546","0.0435","","","0.124","0.145","","","","","","1.091","","","","has coordinates","238090","2020-10-21","18:00:00",""
"4089288","11.476","0.003","25.94","0.006","15.729","0.003","90","","100.662","0.002","90","","4601.5","1.8","150","2","150","2","","","","","","","","8","C 1 c 1","C -2yc","9","","","","- C40 H50 F12 N4 Ni P4 Pd S2 -","- C40 H50 F12 N4 Ni P4 Pd S2 -","- C160 H200 F48 N16 Ni4 P16 Pd4 S8 -","4","1","","Zhao, Tiankun; Ghosh, Pokhraj; Martinez, Zachary; Liu, Xufeng; Meng, Xianggao; Darensbourg, Marcetta Y.","Discrete Air-Stable Nickel(II)‒Palladium(II) Complexes as Catalysts for Suzuki‒Miyaura Reactions","Organometallics","2017","36","9","1822","","10.1021/acs.organomet.7b00176","","","0.71073","MoKα","","0.0272","0.0259","","","0.067","0.0678","","","","","","1.023","","","","has coordinates","238090","2020-10-21","18:00:00",""
"4089289","12.7197","0.0008","11.1312","0.0007","17.5704","0.0011","90","","91.5084","0.0009","90","","2486.9","0.3","100","2","100","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C30 H27 Co N2 O5 -","- C30 H27 Co N2 O5 -","- C120 H108 Co4 N8 O20 -","4","1","","Chambers, Dana R.; Sullivan, Raymond E.; Martin, David B. C.","Synthesis and Characterization of Alkoxycarbonyl Cobalt Complexes via Direct Carbonylation Methods","Organometallics","2017","36","8","1630","","10.1021/acs.organomet.7b00186","","","0.71073","MoKα","","0.0505","0.0426","","","0.0933","0.0962","","","","","","1.22","","","","has coordinates,has disorder","238092","2020-10-21","18:00:00",""
"4089290","14.0405","0.0005","8.5418","0.0003","24.4517","0.0009","90","","92.6059","0.0006","90","","2929.49","0.18","100","2","100","2","","","","","","","","6","P 1 2/n 1","-P 2yac","13","","","","- C35.5 H28.5 Br Co N3.5 O4.5 -","- C35.5 H28.5 Br Co N3.5 O4.5 -","- C142 H114 Br4 Co4 N14 O18 -","4","1","","Chambers, Dana R.; Sullivan, Raymond E.; Martin, David B. C.","Synthesis and Characterization of Alkoxycarbonyl Cobalt Complexes via Direct Carbonylation Methods","Organometallics","2017","36","8","1630","","10.1021/acs.organomet.7b00186","","","0.71073","MoKα","","0.0852","0.0467","","","0.1043","0.1184","","","","","","1.042","","","","has coordinates","238092","2020-10-21","18:00:00",""
"4089291","10.8962","0.0007","12.8113","0.0015","13.8238","0.0017","75.733","0.006","81.438","0.005","73.265","0.005","1784.7","0.3","100","2","100.02","","","","","","","","","6","P -1","-P 1","2","","","","- C33 H31 Cl7 Cr N P2 -","- C33 H31 Cl7 Cr N P2 -","- C66 H62 Cl14 Cr2 N2 P4 -","2","1","","Lifschitz, Alejo M.; Hirscher, Nathanael A.; Lee, Heui Beom; Buss, Joshua A.; Agapie, Theodor","Ethylene Tetramerization Catalysis: Effects of Aluminum-Induced Isomerization of PNP to PPN Ligands","Organometallics","2017","36","8","1640","","10.1021/acs.organomet.7b00189","","","0.71073","MoKα","","0.0636","0.0383","","","0.077","0.0852","","","","","","1.023","","","","has coordinates,has disorder","238095","2020-10-21","18:00:00",""
"4089292","13.5833","0.0011","14.3977","0.0014","20.235","0.002","94.594","0.005","92.147","0.005","109.222","0.004","3716.1","0.6","100","2","100.01","","","","","","","","","6","P -1","-P 1","2","","","","- C30 H33 Cl9 Cr N P2 -","- C30 H33 Cl9 Cr N P2 -","- C120 H132 Cl36 Cr4 N4 P8 -","4","2","","Lifschitz, Alejo M.; Hirscher, Nathanael A.; Lee, Heui Beom; Buss, Joshua A.; Agapie, Theodor","Ethylene Tetramerization Catalysis: Effects of Aluminum-Induced Isomerization of PNP to PPN Ligands","Organometallics","2017","36","8","1640","","10.1021/acs.organomet.7b00189","","","0.71073","MoKα","","0.1128","0.0585","","","0.1156","0.134","","","","","","1.047","","","","has coordinates,has disorder","238095","2020-10-21","18:00:00",""
"4089293","11.6158","0.0008","11.8725","0.001","12.0068","0.0011","94.734","0.005","100.951","0.005","110.634","0.005","1501.1","0.2","100","2","99.99","","","","","","","","","6","P -1","-P 1","2","","","","- C31.82 H29.47 Al Cl2.18 N P2 -","- C31.824 H29.472 Al Cl2.176 N P2 -","- C63.648 H58.944 Al2 Cl4.352 N2 P4 -","2","1","","Lifschitz, Alejo M.; Hirscher, Nathanael A.; Lee, Heui Beom; Buss, Joshua A.; Agapie, Theodor","Ethylene Tetramerization Catalysis: Effects of Aluminum-Induced Isomerization of PNP to PPN Ligands","Organometallics","2017","36","8","1640","","10.1021/acs.organomet.7b00189","","","0.71073","MoKα","","0.1405","0.0708","","","0.1878","0.2275","","","","","","1.038","","","","has coordinates,has disorder","238095","2020-10-21","18:00:00",""
"4089294","10.5133","0.0004","12.723","0.0005","13.7659","0.0006","64.195","0.001","80.712","0.001","80.812","0.001","1627.68","0.11","100","2","100.01","","","","","","","","","6","P -1","-P 1","2","","","","- C30 H36 Al2 Cl3 N P2 -","- C30 H36 Al2 Cl3 N P2 -","- C60 H72 Al4 Cl6 N2 P4 -","2","1","","Lifschitz, Alejo M.; Hirscher, Nathanael A.; Lee, Heui Beom; Buss, Joshua A.; Agapie, Theodor","Ethylene Tetramerization Catalysis: Effects of Aluminum-Induced Isomerization of PNP to PPN Ligands","Organometallics","2017","36","8","1640","","10.1021/acs.organomet.7b00189","","","0.71073","MoKα","","0.0485","0.0394","","","0.1096","0.1145","","","","","","1.069","","","","has coordinates","238095","2020-10-21","18:00:00",""
"4089295","10.2494","0.0005","15.7035","0.0008","17.8108","0.001","90","","90","","90","","2866.7","0.3","100","2","99.99","","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C27 H28 Al Cl4 N P2 -","- C27 H28 Al Cl4 N P2 -","- C108 H112 Al4 Cl16 N4 P8 -","4","1","","Lifschitz, Alejo M.; Hirscher, Nathanael A.; Lee, Heui Beom; Buss, Joshua A.; Agapie, Theodor","Ethylene Tetramerization Catalysis: Effects of Aluminum-Induced Isomerization of PNP to PPN Ligands","Organometallics","2017","36","8","1640","","10.1021/acs.organomet.7b00189","","","0.71073","MoKα","","0.0265","0.0237","","","0.0549","0.0582","","","","","","1.063","","","","has coordinates","238095","2020-10-21","18:00:00",""
"4089296","9.3545","0.0011","9.3024","0.0011","17.27","0.002","90","","101.913","0.003","90","","1470.5","0.3","100","2","100","","","","","","","","","6","P 1 c 1","P -2yc","7","","","","- C30 H26 Al Cl3 O P2 -","- C30 H26 Al Cl3 O P2 -","- C60 H52 Al2 Cl6 O2 P4 -","2","1","","Lifschitz, Alejo M.; Hirscher, Nathanael A.; Lee, Heui Beom; Buss, Joshua A.; Agapie, Theodor","Ethylene Tetramerization Catalysis: Effects of Aluminum-Induced Isomerization of PNP to PPN Ligands","Organometallics","2017","36","8","1640","","10.1021/acs.organomet.7b00189","","","0.71073","MoKα","","0.0364","0.0304","","","0.0793","0.0823","","","","","","1.06","","","","has coordinates,has disorder","238095","2020-10-21","18:00:00",""
"4089297","14.6582","0.0005","22.7883","0.0008","24.5404","0.0009","68.635","0.001","88.712","0.001","88.382","0.001","7630.3","0.5","100","2","100","","","","","","","","","7","P -1","-P 1","2","","","","- C78.76 H78.28 Al Cl6.24 Cr2 N2 P4 -","- C78.726 H78.178 Al Cl6.274 Cr2 N2 P4 -","- C314.904 H312.712 Al4 Cl25.096 Cr8 N8 P16 -","4","2","","Lifschitz, Alejo M.; Hirscher, Nathanael A.; Lee, Heui Beom; Buss, Joshua A.; Agapie, Theodor","Ethylene Tetramerization Catalysis: Effects of Aluminum-Induced Isomerization of PNP to PPN Ligands","Organometallics","2017","36","8","1640","","10.1021/acs.organomet.7b00189","","","0.71073","MoKα","","0.0948","0.0572","","","0.1257","0.1381","","","","","","1.075","","","","has coordinates,has disorder","238095","2020-10-21","18:00:00",""
"4089298","16.9732","0.0008","13.4054","0.0006","16.3797","0.0008","90","","98.278","0.001","90","","3688.1","0.3","100","2","100","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C34 H61 N3 O2 Os P2 -","- C34 H61 N3 O2 Os P2 -","- C136 H244 N12 O8 Os4 P8 -","4","1","","Alabau, Roberto G.; Esteruelas, Miguel A.; Oliván, Montserrat; Oñate, Enrique","Preparation of Phosphorescent Osmium(IV) Complexes with N,N′,C- and C,N,C′-Pincer Ligands","Organometallics","2017","36","9","1848","","10.1021/acs.organomet.7b00193","","","0.71073","MoKα","","0.0367","0.0271","","","0.0498","0.0539","","","","","","1.092","","","","has coordinates,has disorder","238097","2020-10-21","18:00:00",""
"4089299","11.0767","0.0005","14.5769","0.0007","22.157","0.0011","90","","103.889","0.001","90","","3473","0.3","100","2","100","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C34 H59 N3 O Os P2 -","- C34 H59 N3 O Os P2 -","- C136 H236 N12 O4 Os4 P8 -","4","1","","Alabau, Roberto G.; Esteruelas, Miguel A.; Oliván, Montserrat; Oñate, Enrique","Preparation of Phosphorescent Osmium(IV) Complexes with N,N′,C- and C,N,C′-Pincer Ligands","Organometallics","2017","36","9","1848","","10.1021/acs.organomet.7b00193","","","0.71073","MoKα","","0.037","0.0276","","","0.0556","0.0594","","","","","","1.055","","","","has coordinates","238097","2020-10-21","18:00:00",""
"4089300","9.4616","0.0006","32.698","0.002","27.7168","0.0017","90","","90.045","0.001","90","","8574.9","0.9","100","2","100","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C26 H51 N3 Os P2 -","- C26 H51 N3 Os P2 -","- C312 H612 N36 Os12 P24 -","12","3","","Alabau, Roberto G.; Esteruelas, Miguel A.; Oliván, Montserrat; Oñate, Enrique","Preparation of Phosphorescent Osmium(IV) Complexes with N,N′,C- and C,N,C′-Pincer Ligands","Organometallics","2017","36","9","1848","","10.1021/acs.organomet.7b00193","","","0.71073","MoKα","","0.0875","0.052","","","0.0762","0.0853","","","","","","1.082","","","","has coordinates","238097","2020-10-21","18:00:00",""
"4089301","24.0416","0.0004","13.7277","0.0002","18.7831","0.0003","90","","91.188","0.002","90","","6197.76","0.17","130","2","130","2","","","","","","","","7","C 1 2/c 1","-C 2yc","15","","","","- C71 H62 Br2 Fe2 Ni2 O0.75 P4 -","- C71 H62 Br2 Fe2 Ni2 O0.76 P4 -","- C284 H248 Br8 Fe8 Ni8 O3.04 P16 -","4","0.5","","Bajo, Sonia; Laidlaw, Gillian; Kennedy, Alan R.; Sproules, Stephen; Nelson, David J.","Oxidative Addition of Aryl Electrophiles to a Prototypical Nickel(0) Complex: Mechanism and Structure/Reactivity Relationships","Organometallics","2017","36","8","1662","","10.1021/acs.organomet.7b00208","","","0.71073","MoKα","","0.0603","0.0403","","","0.0877","0.0972","","","","","","1.017","","","","has coordinates,has disorder","238099","2020-10-21","18:00:00",""
"4089302","8.853","0.002","13.508","0.003","14.046","0.004","65.71","0.03","73.5","0.03","72.75","0.02","1436.6","0.7","123","2","123","2","","","","","","","","6","P -1","-P 1","2","","","","- C68 H56 Fe2 I2 Ni2 P4 -","- C68 H56 Fe2 I2 Ni2 P4 -","- C68 H56 Fe2 I2 Ni2 P4 -","1","0.5","","Bajo, Sonia; Laidlaw, Gillian; Kennedy, Alan R.; Sproules, Stephen; Nelson, David J.","Oxidative Addition of Aryl Electrophiles to a Prototypical Nickel(0) Complex: Mechanism and Structure/Reactivity Relationships","Organometallics","2017","36","8","1662","","10.1021/acs.organomet.7b00208","","","0.71073","MoKα","","0.1191","0.0678","","","0.1143","0.1357","","","","","","1.061","","","","has coordinates","238099","2020-10-21","18:00:00",""
"4125331","8.3954","0.0008","12.6294","0.0012","29.103","0.003","96.201","0.002","94.663","0.003","90.016","0.002","3057.4","0.5","100","2","100","2","","","","","","","","4","P -1","-P 1","2","","","","- C34 H41 N4 O3 -","- C34 H41 N4 O3 -","- C136 H164 N16 O12 -","4","2","","Goulet-Hanssens, Alexis; Utecht, Manuel; Mutruc, Dragos; Titov, Evgenii; Schwarz, Jutta; Grubert, Lutz; Bléger, David; Saalfrank, Peter; Hecht, Stefan","Electrocatalytic Z →E Isomerization of Azobenzenes.","Journal of the American Chemical Society","2017","139","1","335","341","10.1021/jacs.6b10822","","","0.71073","MoKα","","0.1205","0.0729","","","0.1744","0.1983","","","","","","1.029","","","","has coordinates","193467","2020-10-21","18:00:00",""
"4125332","5.9674","0.0003","26.9049","0.0015","12.112","0.0007","90","","90.059","0.004","90","","1944.61","0.18","100","2","100","2","","","","","","","","6","P 1 21 1","P 2yb","4","xj-04-076","hartwig133","","- C21 H14 F5 N O3 S -","- C21 H14 F5 N O3 S -","- C84 H56 F20 N4 O12 S4 -","4","2","","Jiang, Xingyu; Beiger, Jason J.; Hartwig, John F.","Stereodivergent Allylic Substitutions with Aryl Acetic Acid Esters by Synergistic Iridium and Lewis Base Catalysis.","Journal of the American Chemical Society","2017","139","1","87","90","10.1021/jacs.6b11692","","","1.54178","CuKα","","0.0548","0.0526","","","0.1194","0.1207","","","","","","1.056","","","","has coordinates,has disorder","204147","2020-10-21","18:00:00",""
"4125333","12.2364","0.0013","16.4272","0.0017","24.439","0.003","90","","94.911","0.002","90","","4894.4","0.9","130","","130","","","","","","","","","4","P 1 21/m 1","-P 2yb","11","","","","- C55 H67 Co N3 -","- C55 H67 Co N3 -","- C220 H268 Co4 N12 -","4","1","","Yao, Xiao-Nan; Du, Jing-Zhen; Zhang, Yi-Quan; Leng, Xue-Bing; Yang, Mu-Wen; Jiang, Shang-Da; Wang, Zhen-Xing; Ouyang, Zhong-Wen; Deng, Liang; Wang, Bing-Wu; Gao, Song","Two-Coordinate Co(II) Imido Complexes as Outstanding Single-Molecule Magnets.","Journal of the American Chemical Society","2017","139","1","373","380","10.1021/jacs.6b11043","","","0.71073","MoKα","","0.1431","0.056","","","0.1182","0.1531","","","","","","1.003","","","","has coordinates,has disorder","193462","2020-10-21","18:00:00",""
"4125334","11.283","0.005","15.718","0.006","12.919","0.005","90","","101.482","0.007","90","","2245.3","1.6","130","","130","","","","","","","","","4","P 1 21/m 1","-P 2yb","11","","","","- C51 H63 Co N3 -","- C51 H63 Co N3 -","- C102 H126 Co2 N6 -","2","0.5","","Yao, Xiao-Nan; Du, Jing-Zhen; Zhang, Yi-Quan; Leng, Xue-Bing; Yang, Mu-Wen; Jiang, Shang-Da; Wang, Zhen-Xing; Ouyang, Zhong-Wen; Deng, Liang; Wang, Bing-Wu; Gao, Song","Two-Coordinate Co(II) Imido Complexes as Outstanding Single-Molecule Magnets.","Journal of the American Chemical Society","2017","139","1","373","380","10.1021/jacs.6b11043","","","0.71073","MoKα","","0.1306","0.0577","","","0.1016","0.1272","","","","","","0.997","","","","has coordinates,has disorder","193462","2020-10-21","18:00:00",""
"4125335","10.0663","0.0009","10.6374","0.001","19.5657","0.0017","85.977","0.002","85.038","0.002","73.507","0.002","1999.1","0.3","130","","130","","","","","","","","","5","P -1","-P 1","2","","","","- C41 H66 Co N2 Si2 -","- C41 H66 Co N2 Si2 -","- C82 H132 Co2 N4 Si4 -","2","1","","Yao, Xiao-Nan; Du, Jing-Zhen; Zhang, Yi-Quan; Leng, Xue-Bing; Yang, Mu-Wen; Jiang, Shang-Da; Wang, Zhen-Xing; Ouyang, Zhong-Wen; Deng, Liang; Wang, Bing-Wu; Gao, Song","Two-Coordinate Co(II) Imido Complexes as Outstanding Single-Molecule Magnets.","Journal of the American Chemical Society","2017","139","1","373","380","10.1021/jacs.6b11043","","","0.71073","MoKα","","0.0468","0.0368","","","0.0949","0.0995","","","","","","1.027","","","","has coordinates","193462","2020-10-21","18:00:00",""
"4125336","11.5458","0.0008","16.5702","0.0012","16.8885","0.0012","90","","92.912","0.002","90","","3226.9","0.4","93","2","93","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C29 H51 N5 O7 -","- C29 H51 N5 O7 -","- C116 H204 N20 O28 -","4","2","","Metrano, Anthony J.; Abascal, Nadia C.; Mercado, Brandon Q.; Paulson, Eric K.; Hurtley, Anna E.; Miller, Scott J.","Diversity of Secondary Structure in Catalytic Peptides with β-Turn-Biased Sequences.","Journal of the American Chemical Society","2017","139","1","492","516","10.1021/jacs.6b11348","","","1.54178","CuKα","","0.0261","0.0258","","","0.0657","0.0659","","","","","","1.015","","","","has coordinates","193472","2020-10-21","18:00:00",""
"4125337","11.7505","0.0008","15.361","0.0011","16.1615","0.0011","90","","90","","90","","2917.1","0.4","93","2","93","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C25 H43 N5 O7 -","- C25 H43 N5 O7 -","- C100 H172 N20 O28 -","4","1","","Metrano, Anthony J.; Abascal, Nadia C.; Mercado, Brandon Q.; Paulson, Eric K.; Hurtley, Anna E.; Miller, Scott J.","Diversity of Secondary Structure in Catalytic Peptides with β-Turn-Biased Sequences.","Journal of the American Chemical Society","2017","139","1","492","516","10.1021/jacs.6b11348","","","1.54178","CuKα","","0.0251","0.0244","","","0.063","0.0635","","","","","","1.043","","","","has coordinates","193472","2020-10-21","18:00:00",""
"4125338","11.9119","0.0013","15.619","0.0017","16.4598","0.0017","86.532","0.002","89.527","0.002","88.976","0.002","3056.2","0.6","100","2","100","2","","","","","","","","4","P 1","P 1","1","","","","- C26 H45 N5 O7 -","- C26 H45 N5 O7 -","- C104 H180 N20 O28 -","4","4","","Metrano, Anthony J.; Abascal, Nadia C.; Mercado, Brandon Q.; Paulson, Eric K.; Hurtley, Anna E.; Miller, Scott J.","Diversity of Secondary Structure in Catalytic Peptides with β-Turn-Biased Sequences.","Journal of the American Chemical Society","2017","139","1","492","516","10.1021/jacs.6b11348","","","0.7749","Synchrotron","","0.081","0.0526","","","0.1115","0.1219","","","","","","1.063","","","","has coordinates","193472","2020-10-21","18:00:00",""
"4125339","12.4001","0.0019","15.333","0.002","16.44","0.002","90","","90","","90","","3125.7","0.7","100","2","100","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C28 H50 N6 O6 -","- C28 H50 N6 O6 -","- C112 H200 N24 O24 -","4","1","","Metrano, Anthony J.; Abascal, Nadia C.; Mercado, Brandon Q.; Paulson, Eric K.; Hurtley, Anna E.; Miller, Scott J.","Diversity of Secondary Structure in Catalytic Peptides with β-Turn-Biased Sequences.","Journal of the American Chemical Society","2017","139","1","492","516","10.1021/jacs.6b11348","","","0.7749","Synchrotron","","0.0659","0.0507","","","0.1139","0.1212","","","","","","1.065","","","","has coordinates","193472","2020-10-21","18:00:00",""
"4125340","9.6322","0.0007","10.7847","0.0008","30.96","0.002","90","","90","","90","","3216.1","0.4","93","2","93","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C27 H50 N6 O6 -","- C27 H50 N6 O6 -","- C108 H200 N24 O24 -","4","1","","Metrano, Anthony J.; Abascal, Nadia C.; Mercado, Brandon Q.; Paulson, Eric K.; Hurtley, Anna E.; Miller, Scott J.","Diversity of Secondary Structure in Catalytic Peptides with β-Turn-Biased Sequences.","Journal of the American Chemical Society","2017","139","1","492","516","10.1021/jacs.6b11348","","","1.54178","CuKα","","0.0511","0.0466","","","0.1179","0.1207","","","","","","1.204","","","","has coordinates","193472","2020-10-21","18:00:00",""
"4125341","18.9459","0.0013","10.2874","0.0007","20.3541","0.0014","90","","114.654","0.002","90","","3605.5","0.4","93","2","93","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C36 H50 N6 O6 -","- C36 H50 N6 O6 -","- C144 H200 N24 O24 -","4","2","","Metrano, Anthony J.; Abascal, Nadia C.; Mercado, Brandon Q.; Paulson, Eric K.; Hurtley, Anna E.; Miller, Scott J.","Diversity of Secondary Structure in Catalytic Peptides with β-Turn-Biased Sequences.","Journal of the American Chemical Society","2017","139","1","492","516","10.1021/jacs.6b11348","","","1.54178","CuKα","","0.0375","0.035","","","0.09","0.0918","","","","","","1.024","","","","has coordinates,has disorder","193472","2020-10-21","18:00:00",""
"4125342","16.3898","0.0011","18.3004","0.0013","24.0255","0.0017","90","","90","","90","","7206.2","0.9","93","2","93","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C34 H53 N5 O7.5 -","- C34 H53 N5 O7.5 -","- C272 H424 N40 O60 -","8","2","","Metrano, Anthony J.; Abascal, Nadia C.; Mercado, Brandon Q.; Paulson, Eric K.; Hurtley, Anna E.; Miller, Scott J.","Diversity of Secondary Structure in Catalytic Peptides with β-Turn-Biased Sequences.","Journal of the American Chemical Society","2017","139","1","492","516","10.1021/jacs.6b11348","","","1.54178","CuKα","","0.0731","0.0445","","","0.1004","0.118","","","","","","1.01","","","","has coordinates","193472","2020-10-21","18:00:00",""
"4125343","11.7452","0.0008","16.8106","0.0012","15.9153","0.0011","90","","91.065","0.002","90","","3141.8","0.4","93","2","93","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C27 H47 N5 O7 -","- C27 H47 N5 O7 -","- C108 H188 N20 O28 -","4","2","","Metrano, Anthony J.; Abascal, Nadia C.; Mercado, Brandon Q.; Paulson, Eric K.; Hurtley, Anna E.; Miller, Scott J.","Diversity of Secondary Structure in Catalytic Peptides with β-Turn-Biased Sequences.","Journal of the American Chemical Society","2017","139","1","492","516","10.1021/jacs.6b11348","","","1.54178","CuKα","","0.0361","0.0342","","","0.0925","0.0944","","","","","","1.026","","","","has coordinates,has disorder","193472","2020-10-21","18:00:00",""
"4125344","9.4965","0.0007","10.4398","0.0007","31.132","0.002","90","","90","","90","","3086.5","0.4","93","2","93","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C26 H46 N6 O6 -","- C26 H46 N6 O6 -","- C104 H184 N24 O24 -","4","1","","Metrano, Anthony J.; Abascal, Nadia C.; Mercado, Brandon Q.; Paulson, Eric K.; Hurtley, Anna E.; Miller, Scott J.","Diversity of Secondary Structure in Catalytic Peptides with β-Turn-Biased Sequences.","Journal of the American Chemical Society","2017","139","1","492","516","10.1021/jacs.6b11348","","","1.54178","CuKα","","0.0375","0.032","","","0.0751","0.0764","","","","","","1.025","","","","has coordinates","193472","2020-10-21","18:00:00",""
"4125345","16.145","0.0011","16.2685","0.0011","21.7425","0.0015","90","","90","","90","","5710.8","0.7","93","2","93","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C24 H43 N5 O7 -","- C24 H43 N5 O7 -","- C192 H344 N40 O56 -","8","2","","Metrano, Anthony J.; Abascal, Nadia C.; Mercado, Brandon Q.; Paulson, Eric K.; Hurtley, Anna E.; Miller, Scott J.","Diversity of Secondary Structure in Catalytic Peptides with β-Turn-Biased Sequences.","Journal of the American Chemical Society","2017","139","1","492","516","10.1021/jacs.6b11348","","","1.54178","CuKα","","0.1062","0.0592","","","0.126","0.1479","","","","","","1.048","","","","has coordinates,has disorder","193472","2020-10-21","18:00:00",""
"4125346","9.6442","0.0007","10.6337","0.0007","28.723","0.002","90","","90","","90","","2945.6","0.4","93","2","93","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C25 H45 N5 O7 -","- C25 H45 N5 O7 -","- C100 H180 N20 O28 -","4","1","","Metrano, Anthony J.; Abascal, Nadia C.; Mercado, Brandon Q.; Paulson, Eric K.; Hurtley, Anna E.; Miller, Scott J.","Diversity of Secondary Structure in Catalytic Peptides with β-Turn-Biased Sequences.","Journal of the American Chemical Society","2017","139","1","492","516","10.1021/jacs.6b11348","","","1.54178","CuKα","","0.0245","0.0241","","","0.0625","0.0629","","","","","","1.048","","","","has coordinates","193472","2020-10-21","18:00:00",""
"4125347","9.5116","0.0004","10.8943","0.0004","30.9331","0.0011","90","","90","","90","","3205.4","0.2","100","2","100","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C30 H46 N6 O6 -","- C30 H46 N6 O6 -","- C120 H184 N24 O24 -","4","1","","Metrano, Anthony J.; Abascal, Nadia C.; Mercado, Brandon Q.; Paulson, Eric K.; Hurtley, Anna E.; Miller, Scott J.","Diversity of Secondary Structure in Catalytic Peptides with β-Turn-Biased Sequences.","Journal of the American Chemical Society","2017","139","1","492","516","10.1021/jacs.6b11348","","","1.512","Synchrotron","","0.0317","0.0309","","","0.0777","0.0782","","","","","","1.054","","","","has coordinates","193472","2020-10-21","18:00:00",""
"4125348","5.909","0.0004","24.4001","0.0017","10.6197","0.0007","90","","102.609","0.003","90","","1494.22","0.18","93","2","93","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C26 H47 N5 O7 -","- C26 H47 N5 O7 -","- C52 H94 N10 O14 -","2","1","","Metrano, Anthony J.; Abascal, Nadia C.; Mercado, Brandon Q.; Paulson, Eric K.; Hurtley, Anna E.; Miller, Scott J.","Diversity of Secondary Structure in Catalytic Peptides with β-Turn-Biased Sequences.","Journal of the American Chemical Society","2017","139","1","492","516","10.1021/jacs.6b11348","","","1.54178","CuKα","","0.0303","0.0292","","","0.0738","0.0743","","","","","","1.037","","","","has coordinates","193472","2020-10-21","18:00:00",""
"4125349","9.7528","0.0007","10.8277","0.0008","29.439","0.002","90","","90","","90","","3108.8","0.4","93","2","93","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C29 H45 N5 O7 -","- C29 H45 N5 O7 -","- C116 H180 N20 O28 -","4","1","","Metrano, Anthony J.; Abascal, Nadia C.; Mercado, Brandon Q.; Paulson, Eric K.; Hurtley, Anna E.; Miller, Scott J.","Diversity of Secondary Structure in Catalytic Peptides with β-Turn-Biased Sequences.","Journal of the American Chemical Society","2017","139","1","492","516","10.1021/jacs.6b11348","","","1.54178","CuKα","","0.0235","0.0232","","","0.0571","0.0573","","","","","","1.052","","","","has coordinates","193472","2020-10-21","18:00:00",""
"4125350","9.9289","0.0007","14.2705","0.001","11.0675","0.0008","90","","98.876","0.007","90","","1549.38","0.19","93","2","93","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C26 H45 N5 O7 -","- C26 H45 N5 O7 -","- C52 H90 N10 O14 -","2","1","","Metrano, Anthony J.; Abascal, Nadia C.; Mercado, Brandon Q.; Paulson, Eric K.; Hurtley, Anna E.; Miller, Scott J.","Diversity of Secondary Structure in Catalytic Peptides with β-Turn-Biased Sequences.","Journal of the American Chemical Society","2017","139","1","492","516","10.1021/jacs.6b11348","","","1.54178","CuKα","","0.0656","0.0611","","","0.1615","0.1675","","","","","","1.05","","","","has coordinates,has disorder","193472","2020-10-21","18:00:00",""
"4125351","5.8475","0.0002","11.4463","0.0004","26.2716","0.0008","83.314","0.002","84.006","0.002","78.952","0.002","1708","0.1","100","2","100","2","","","","","","","","4","P 1","P 1","1","","","","- C32 H49 N5 O7 -","- C32 H49 N5 O7 -","- C64 H98 N10 O14 -","2","2","","Metrano, Anthony J.; Abascal, Nadia C.; Mercado, Brandon Q.; Paulson, Eric K.; Hurtley, Anna E.; Miller, Scott J.","Diversity of Secondary Structure in Catalytic Peptides with β-Turn-Biased Sequences.","Journal of the American Chemical Society","2017","139","1","492","516","10.1021/jacs.6b11348","","","0.7749","Synchrotron","","0.0606","0.042","","","0.0815","0.0879","","","","","","1.017","","","","has coordinates","193472","2020-10-21","18:00:00",""
"4125352","9.5263","0.0003","10.9728","0.0004","28.9779","0.001","90","","90","","90","","3029.07","0.18","100","2","100","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C26 H47 N5 O7 -","- C26 H47 N5 O7 -","- C104 H188 N20 O28 -","4","1","","Metrano, Anthony J.; Abascal, Nadia C.; Mercado, Brandon Q.; Paulson, Eric K.; Hurtley, Anna E.; Miller, Scott J.","Diversity of Secondary Structure in Catalytic Peptides with β-Turn-Biased Sequences.","Journal of the American Chemical Society","2017","139","1","492","516","10.1021/jacs.6b11348","","","0.7749","Synchrotron","","0.0479","0.0383","","","0.0893","0.0943","","","","","","1.02","","","","has coordinates","193472","2020-10-21","18:00:00",""
"4125353","11.0991","0.0003","9.255","0.0003","16.0095","0.0011","90","","100.869","0.007","90","","1615.03","0.14","93","2","93","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C30 H46 N6 O6 -","- C30 H46 N6 O6 -","- C60 H92 N12 O12 -","2","1","","Metrano, Anthony J.; Abascal, Nadia C.; Mercado, Brandon Q.; Paulson, Eric K.; Hurtley, Anna E.; Miller, Scott J.","Diversity of Secondary Structure in Catalytic Peptides with β-Turn-Biased Sequences.","Journal of the American Chemical Society","2017","139","1","492","516","10.1021/jacs.6b11348","","","1.54178","CuKα","","0.0507","0.0441","","","0.1039","0.1137","","","","","","1.103","","","","has coordinates","193472","2020-10-21","18:00:00",""
"4125354","12.0174","0.0008","9.4647","0.0007","13.6217","0.001","90","","106.691","0.003","90","","1484.07","0.18","93","2","93","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C27 H46 N4 O7 -","- C27 H46 N4 O7 -","- C54 H92 N8 O14 -","2","1","","Metrano, Anthony J.; Abascal, Nadia C.; Mercado, Brandon Q.; Paulson, Eric K.; Hurtley, Anna E.; Miller, Scott J.","Diversity of Secondary Structure in Catalytic Peptides with β-Turn-Biased Sequences.","Journal of the American Chemical Society","2017","139","1","492","516","10.1021/jacs.6b11348","","","1.54178","CuKα","","0.0518","0.0387","","","0.0848","0.0918","","","","","","1.02","","","","has coordinates","193472","2020-10-21","18:00:00",""
"4125355","10.2959","0.0007","10.4853","0.0007","14.9355","0.001","94.868","0.002","100.913","0.002","90.106","0.003","1577.24","0.18","93","2","93","2","","","","","","","","5","P 1","P 1","1","","","","- C28 H46 N6 O6 S -","- C28 H46 N6 O6 S -","- C56 H92 N12 O12 S2 -","2","2","","Metrano, Anthony J.; Abascal, Nadia C.; Mercado, Brandon Q.; Paulson, Eric K.; Hurtley, Anna E.; Miller, Scott J.","Diversity of Secondary Structure in Catalytic Peptides with β-Turn-Biased Sequences.","Journal of the American Chemical Society","2017","139","1","492","516","10.1021/jacs.6b11348","","","1.54178","CuKα","","0.0751","0.0628","","","0.1551","0.1684","","","","","","1.017","","","","has coordinates,has disorder","193472","2020-10-21","18:00:00",""
"4125356","11.7165","0.0008","16.9463","0.0012","16.0776","0.0011","90","","91.257","0.003","90","","3191.5","0.4","93","2","93","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C28 H49 N5 O7 -","- C28 H49 N5 O7 -","- C112 H196 N20 O28 -","4","2","","Metrano, Anthony J.; Abascal, Nadia C.; Mercado, Brandon Q.; Paulson, Eric K.; Hurtley, Anna E.; Miller, Scott J.","Diversity of Secondary Structure in Catalytic Peptides with β-Turn-Biased Sequences.","Journal of the American Chemical Society","2017","139","1","492","516","10.1021/jacs.6b11348","","","1.54178","CuKα","","0.0426","0.0376","","","0.0941","0.0966","","","","","","1.046","","","","has coordinates,has disorder","193472","2020-10-21","18:00:00",""
"4125357","11.725","0.015","22.82","0.03","25.93","0.03","90","","90","","90","","6938","15","100","2","100","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C32 H52 N6 O6 -","- C32 H52 N6 O6 -","- C256 H416 N48 O48 -","8","2","","Metrano, Anthony J.; Abascal, Nadia C.; Mercado, Brandon Q.; Paulson, Eric K.; Hurtley, Anna E.; Miller, Scott J.","Diversity of Secondary Structure in Catalytic Peptides with β-Turn-Biased Sequences.","Journal of the American Chemical Society","2017","139","1","492","516","10.1021/jacs.6b11348","","","0.7749","Synchrotron","","0.0773","0.0575","","","0.129","0.1385","","","","","","1.093","","","","has coordinates","193472","2020-10-21","18:00:00",""
"4125358","10.6027","0.0007","8.8911","0.0006","15.9646","0.0011","90","","97.122","0.002","90","","1493.37","0.17","93","2","93","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C29 H43 N5 O7 -","- C29 H43 N5 O7 -","- C58 H86 N10 O14 -","2","1","","Metrano, Anthony J.; Abascal, Nadia C.; Mercado, Brandon Q.; Paulson, Eric K.; Hurtley, Anna E.; Miller, Scott J.","Diversity of Secondary Structure in Catalytic Peptides with β-Turn-Biased Sequences.","Journal of the American Chemical Society","2017","139","1","492","516","10.1021/jacs.6b11348","","","1.54178","CuKα","","0.0262","0.0252","","","0.063","0.0635","","","","","","1.045","","","","has coordinates","193472","2020-10-21","18:00:00",""
"4125359","9.7541","0.0007","10.7355","0.0008","29.43","0.002","90","","90","","90","","3081.8","0.4","93","2","93","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C27 H48 N6 O6 -","- C27 H48 N6 O6 -","- C108 H192 N24 O24 -","4","1","","Metrano, Anthony J.; Abascal, Nadia C.; Mercado, Brandon Q.; Paulson, Eric K.; Hurtley, Anna E.; Miller, Scott J.","Diversity of Secondary Structure in Catalytic Peptides with β-Turn-Biased Sequences.","Journal of the American Chemical Society","2017","139","1","492","516","10.1021/jacs.6b11348","","","1.54178","CuKα","","0.0255","0.0239","","","0.0667","0.0737","","","","","","1.148","","","","has coordinates","193472","2020-10-21","18:00:00",""
"4125360","9.6852","0.0007","10.7444","0.0008","31.296","0.002","90","","90","","90","","3256.7","0.4","93","2","93","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C29 H50 N6 O6 -","- C29 H50 N6 O6 -","- C116 H200 N24 O24 -","4","1","","Metrano, Anthony J.; Abascal, Nadia C.; Mercado, Brandon Q.; Paulson, Eric K.; Hurtley, Anna E.; Miller, Scott J.","Diversity of Secondary Structure in Catalytic Peptides with β-Turn-Biased Sequences.","Journal of the American Chemical Society","2017","139","1","492","516","10.1021/jacs.6b11348","","","1.54178","CuKα","","0.0502","0.0419","","","0.099","0.1044","","","","","","1.047","","","","has coordinates,has disorder","193472","2020-10-21","18:00:00",""
"4125361","10.6617","0.0004","8.8095","0.0004","15.8579","0.0007","90","","97.106","0.002","90","","1478","0.11","100","2","100","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C28 H43 N5 O7 -","- C28 H43 N5 O7 -","- C56 H86 N10 O14 -","2","1","","Metrano, Anthony J.; Abascal, Nadia C.; Mercado, Brandon Q.; Paulson, Eric K.; Hurtley, Anna E.; Miller, Scott J.","Diversity of Secondary Structure in Catalytic Peptides with β-Turn-Biased Sequences.","Journal of the American Chemical Society","2017","139","1","492","516","10.1021/jacs.6b11348","","","0.7749","Synchrotron","","0.0556","0.0434","","","0.1043","0.1108","","","","","","1.062","","","","has coordinates","193472","2020-10-21","18:00:00",""
"4125362","14.0134","0.0006","21.2939","0.0009","11.1225","0.0004","90","","90","","90","","3319","0.2","100","2","100","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C30 H44 N4 O7 S -","- C30 H44 N4 O7 S -","- C120 H176 N16 O28 S4 -","4","1","","Metrano, Anthony J.; Abascal, Nadia C.; Mercado, Brandon Q.; Paulson, Eric K.; Hurtley, Anna E.; Miller, Scott J.","Diversity of Secondary Structure in Catalytic Peptides with β-Turn-Biased Sequences.","Journal of the American Chemical Society","2017","139","1","492","516","10.1021/jacs.6b11348","","","0.7749","Synchrotron","","0.0458","0.0416","","","0.1062","0.1082","","","","","","1.138","","","","has coordinates","193472","2020-10-21","18:00:00",""
"4125363","9.6527","0.0007","18.7582","0.0013","10.5398","0.0007","90","","115.399","0.002","90","","1724","0.2","93","2","93","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C29 H53 N7 O9 -","- C29 H53 N7 O9 -","- C58 H106 N14 O18 -","2","1","","Metrano, Anthony J.; Abascal, Nadia C.; Mercado, Brandon Q.; Paulson, Eric K.; Hurtley, Anna E.; Miller, Scott J.","Diversity of Secondary Structure in Catalytic Peptides with β-Turn-Biased Sequences.","Journal of the American Chemical Society","2017","139","1","492","516","10.1021/jacs.6b11348","","","1.54178","CuKα","","0.0348","0.0291","","","0.0646","0.0667","","","","","","1.038","","","","has coordinates","193472","2020-10-21","18:00:00",""
"4125364","11.8017","0.0005","15.0992","0.0006","19.6217","0.0008","90","","90","","90","","3496.5","0.2","100","2","100","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C33 H50 N4 O7 S -","- C33 H50 N4 O7 S -","- C132 H200 N16 O28 S4 -","4","1","","Metrano, Anthony J.; Abascal, Nadia C.; Mercado, Brandon Q.; Paulson, Eric K.; Hurtley, Anna E.; Miller, Scott J.","Diversity of Secondary Structure in Catalytic Peptides with β-Turn-Biased Sequences.","Journal of the American Chemical Society","2017","139","1","492","516","10.1021/jacs.6b11348","","","0.7749","Synchrotron","","0.0368","0.0318","","","0.0824","0.0853","","","","","","1.037","","","","has coordinates","193472","2020-10-21","18:00:00",""
"4125365","9.8381","0.0002","10.3396","0.0002","25.5626","0.0018","90","","97.525","0.007","90","","2577.9","0.2","93","2","93","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C22 H37 N5 O7 -","- C22 H37 N5 O7 -","- C88 H148 N20 O28 -","4","2","","Metrano, Anthony J.; Abascal, Nadia C.; Mercado, Brandon Q.; Paulson, Eric K.; Hurtley, Anna E.; Miller, Scott J.","Diversity of Secondary Structure in Catalytic Peptides with β-Turn-Biased Sequences.","Journal of the American Chemical Society","2017","139","1","492","516","10.1021/jacs.6b11348","","","1.54187","CuKα","","0.047","0.0433","","","0.1104","0.1137","","","","","","1.047","","","","has coordinates,has disorder","193472","2020-10-21","18:00:00",""
"4125366","27.2814","0.0019","15.4659","0.0011","17.7648","0.0012","90","","106.757","0.002","90","","7177.2","0.9","93","2","93","2","","","","","","","","5","C 1 2 1","C 2y","5","","","","- C29.25 H54.5 Cl N6 O6.25 -","- C29.25 H54.5 Cl N6 O6.25 -","- C234 H436 Cl8 N48 O50 -","8","2","","Metrano, Anthony J.; Abascal, Nadia C.; Mercado, Brandon Q.; Paulson, Eric K.; Hurtley, Anna E.; Miller, Scott J.","Diversity of Secondary Structure in Catalytic Peptides with β-Turn-Biased Sequences.","Journal of the American Chemical Society","2017","139","1","492","516","10.1021/jacs.6b11348","","","1.54178","CuKα","","0.0401","0.0392","","","0.1146","0.1154","","","","","","1.042","","","","has coordinates","193472","2020-10-21","18:00:00",""
"4125367","12.3684","0.0007","18.2504","0.0009","13.2045","0.0008","90","","108.027","0.003","90","","2834.3","0.3","100","2","100","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C58 H88 Li4 N4 O8 -","- C58 H88 Li4 N4 O8 -","- C116 H176 Li8 N8 O16 -","2","1","","Yu, Kai; Lu, Ping; Jackson, Jeffrey J.; Nguyen, Thuy-Ai D; Alvarado, Joseph; Stivala, Craig E.; Ma, Yun; Mack, Kyle A.; Hayton, Trevor W.; Collum, David B.; Zakarian, Armen","Lithium Enolates in the Enantioselective Construction of Tetrasubstituted Carbon Centers with Chiral Lithium Amides as Noncovalent Stereodirecting Auxiliaries.","Journal of the American Chemical Society","2017","139","1","527","533","10.1021/jacs.6b11673","","","0.71073","MoKα","","0.1005","0.0624","","","0.1385","0.1569","","","","","","1.019","","","","has coordinates","193469","2020-10-21","18:00:00",""
"4125368","13.903","0.003","30.755","0.006","12.122","0.002","90","","98.163","0.003","90","","5130.7","1.7","100","2","100","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C53 H39 Cl3 F12 N4 O6 -","- C53 H39 Cl3 F12 N4 O6 -","- C212 H156 Cl12 F48 N16 O24 -","4","1","","Guberman-Pfeffer, Matthew J; Greco, Jordan A.; Samankumara, Lalith P.; Zeller, Matthias; Birge, Robert R.; Gascón, José A; Brückner, Christian","Bacteriochlorins with a Twist: Discovery of a Unique Mechanism to Red-Shift the Optical Spectra of Bacteriochlorins.","Journal of the American Chemical Society","2017","139","1","548","560","10.1021/jacs.6b12419","","","0.71073","MoKα","","0.0917","0.0503","","","0.1116","0.1295","","","","","","1.009","","","","has coordinates,has disorder","193465","2020-10-21","18:00:00",""
"4125369","15.158","0.0012","15.3757","0.0012","15.9657","0.0012","61.884","0.004","69.613","0.005","80.627","0.006","3076.4","0.4","150","2","150","2","","","","","","","","6","P -1","-P 1","2","","","","- C112 H152 N6 O36 P6 Zn6 -","- C112 H152 N6 O36 P6 Zn6 -","- C112 H152 N6 O36 P6 Zn6 -","1","0.5","","Gupta, Sandeep K.; Kalita, Alok Ch; Dar, Aijaz A.; Sen, Saumik; Patwari, G. Naresh; Murugavel, Ramaswamy","Elusive Double-Eight-Ring Zeolitic Secondary Building Unit.","Journal of the American Chemical Society","2017","139","1","59","62","10.1021/jacs.6b11156","","","0.71073","MoKα","","0.083","0.0594","","","0.1416","0.1559","","","","","","1.072","","","","has coordinates,has disorder","193475","2020-10-21","18:00:00",""
"4125370","20.717","0.002","28.654","0.003","31.996","0.004","90","","99.303","0.002","90","","18744","4","150","2","150","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C152 H187 N12 O40 P8 Zn8 -","- C152 H187 N12 O40 P8 Zn8 -","- C608 H748 N48 O160 P32 Zn32 -","4","1","","Gupta, Sandeep K.; Kalita, Alok Ch; Dar, Aijaz A.; Sen, Saumik; Patwari, G. Naresh; Murugavel, Ramaswamy","Elusive Double-Eight-Ring Zeolitic Secondary Building Unit.","Journal of the American Chemical Society","2017","139","1","59","62","10.1021/jacs.6b11156","","","0.71075","MoKα","","0.0922","0.0783","","","0.1603","0.168","","","","","","1.125","","","","has coordinates,has disorder","193475","2020-10-21","18:00:00",""
"4125371","24.471","0.004","21.59","0.003","18.982","0.003","90","","90.508","0.003","90","","10028","3","150","2","150","2","","","","","","","","7","C 1 2/c 1","-C 2yc","15","","","","- C88 H124 F N5 O20 P4 Zn4 -","- C88 H124 F N5 O20 P4 Zn4 -","- C352 H496 F4 N20 O80 P16 Zn16 -","4","0.5","","Gupta, Sandeep K.; Kalita, Alok Ch; Dar, Aijaz A.; Sen, Saumik; Patwari, G. Naresh; Murugavel, Ramaswamy","Elusive Double-Eight-Ring Zeolitic Secondary Building Unit.","Journal of the American Chemical Society","2017","139","1","59","62","10.1021/jacs.6b11156","","","0.71075","MoKα","","0.0524","0.0502","","","0.1242","0.1258","","","","","","1.081","","","","has coordinates","193475","2020-10-21","18:00:00",""
"4125372","20.1992","0.0019","20.2","0.003","30.891","0.004","87.998","0.009","71.693","0.008","60.233","0.005","10275","2","150","2","150","2","","","","","","","","7","P -1","-P 1","2","","","","- C172 H202 Cl8 N30 O32 P8 Zn8 -","- C172 H202 Cl8 N30 O32 P8 Zn8 -","- C344 H404 Cl16 N60 O64 P16 Zn16 -","2","1","","Gupta, Sandeep K.; Kalita, Alok Ch; Dar, Aijaz A.; Sen, Saumik; Patwari, G. Naresh; Murugavel, Ramaswamy","Elusive Double-Eight-Ring Zeolitic Secondary Building Unit.","Journal of the American Chemical Society","2017","139","1","59","62","10.1021/jacs.6b11156","","","0.71075","MoKα","","0.0899","0.0766","","","0.1402","0.1468","","","","","","1.181","","","","has coordinates,has disorder","193475","2020-10-21","18:00:00",""
"4125373","26.7213","0.0008","26.7213","0.0008","26.7213","0.0008","90","","90","","90","","19079.8","1","100","2","100","","","","","","","","","7","F m -3 m","-F 4 2 3","225","Re3-MOF","","","- C92.88 H28 Cl0.72 N5.52 O36 Re0.78 Zr6 -","- C92.88 H28 Cl0.72 N5.52 O36 Re0.78 Zr6 -","- C371.52 H112 Cl2.88 N22.08 O144 Re3.12 Zr24 -","4","0.0208333","","Choi, Kyung Min; Kim, Dohyung; Rungtaweevoranit, Bunyarat; Trickett, Christopher A.; Barmanbek, Jesika Trese Deniz; Alshammari, Ahmad S.; Yang, Peidong; Yaghi, Omar M.","Plasmon-Enhanced Photocatalytic CO2 Conversion within Metal-Organic Frameworks under Visible Light.","Journal of the American Chemical Society","2017","139","1","356","362","10.1021/jacs.6b11027","","","0.7749","synchrotron","","0.0732","0.0631","","","0.2151","0.2292","","","","","","1.185","","","","has coordinates,has disorder","193463","2020-10-21","18:00:00",""
"4125374","12.1938","0.0019","12.1954","0.0017","14.403","0.002","95.074","0.008","104.765","0.008","110.31","0.007","1905","0.5","149","2","149","2","","","","","","","","7","P -1","-P 1","2","","","","- C39 H36 B Cl2 F10 O2 P -","- C39 H36 B Cl2 F10 O2 P -","- C78 H72 B2 Cl4 F20 O4 P2 -","2","1","","Longobardi, Lauren E.; Zatsepin, Pavel; Korol, Roman; Liu, Lei; Grimme, Stefan; Stephan, Douglas W.","Reactions of Boron-Derived Radicals with Nucleophiles.","Journal of the American Chemical Society","2017","139","1","426","435","10.1021/jacs.6b11190","","","0.71073","MoKα","","0.0756","0.0488","","","0.1124","0.126","","","","","","1.016","","","","has coordinates","193473","2020-10-21","18:00:00",""
"4125375","12.1499","0.0006","12.23","0.0006","14.2517","0.0007","67.943","0.003","72.004","0.003","68.902","0.003","1793.79","0.16","150","2","150","2","","","","","","","","6","P -1","-P 1","2","","","","- C46 H22 B F10 O2 P -","- C46 H22 B F10 O2 P -","- C92 H44 B2 F20 O4 P2 -","2","1","","Longobardi, Lauren E.; Zatsepin, Pavel; Korol, Roman; Liu, Lei; Grimme, Stefan; Stephan, Douglas W.","Reactions of Boron-Derived Radicals with Nucleophiles.","Journal of the American Chemical Society","2017","139","1","426","435","10.1021/jacs.6b11190","","","0.71073","MoKα","","0.0701","0.0407","","","0.1149","0.1357","","","","","","0.893","","","","has coordinates","193473","2020-10-21","18:00:00",""
"4125376","35.141","0.003","12.6854","0.0011","19.7553","0.0015","90","","110.047","0.007","90","","8272.9","1.2","150","2","150","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C51 H30 B F10 O2 P -","- C51 H30 B F10 O2 P -","- C408 H240 B8 F80 O16 P8 -","8","1","","Longobardi, Lauren E.; Zatsepin, Pavel; Korol, Roman; Liu, Lei; Grimme, Stefan; Stephan, Douglas W.","Reactions of Boron-Derived Radicals with Nucleophiles.","Journal of the American Chemical Society","2017","139","1","426","435","10.1021/jacs.6b11190","","","0.71073","MoKα","","0.0647","0.0446","","","0.1192","0.1363","","","","","","1.066","","","","has coordinates,has disorder","193473","2020-10-21","18:00:00",""
"4125377","11.5384","0.0009","12.434","0.001","14.3574","0.0011","100.016","0.003","103.12","0.003","112.579","0.003","1772.5","0.3","150","2","150","2","","","","","","","","6","P -1","-P 1","2","","","","- C44 H22 B F10 O2 P -","- C44 H22 B F10 O2 P -","- C88 H44 B2 F20 O4 P2 -","2","1","","Longobardi, Lauren E.; Zatsepin, Pavel; Korol, Roman; Liu, Lei; Grimme, Stefan; Stephan, Douglas W.","Reactions of Boron-Derived Radicals with Nucleophiles.","Journal of the American Chemical Society","2017","139","1","426","435","10.1021/jacs.6b11190","","","0.71073","MoKα","","0.0977","0.0569","","","0.1442","0.1712","","","","","","1.037","","","","has coordinates","193473","2020-10-21","18:00:00",""
"4125378","11.331","0.003","14.461","0.004","20.313","0.005","79.494","0.014","76.28","0.013","80.221","0.014","3151.2","1.5","150","2","150","2","","","","","","","","7","P -1","-P 1","2","","","","- C68 H40 B2 Cl4 F20 N4 O4 -","- C67.994 H39.988 B2 Cl3.988 F20 N4 O4 -","- C135.988 H79.976 B4 Cl7.976 F40 N8 O8 -","2","1","","Longobardi, Lauren E.; Zatsepin, Pavel; Korol, Roman; Liu, Lei; Grimme, Stefan; Stephan, Douglas W.","Reactions of Boron-Derived Radicals with Nucleophiles.","Journal of the American Chemical Society","2017","139","1","426","435","10.1021/jacs.6b11190","","","0.71073","MoKα","","0.1675","0.0804","","","0.198","0.2388","","","","","","1.037","","","","has coordinates,has disorder","193473","2020-10-21","18:00:00",""
"4125379","11.272","0.003","11.615","0.003","12.999","0.003","96.308","0.006","98.573","0.006","109.688","0.006","1560.9","0.7","150","2","150","2","","","","","","","","6","P -1","-P 1","2","","","","- C36 H26 B F10 O2 P -","- C36 H26 B F10 O2 P -","- C72 H52 B2 F20 O4 P2 -","2","1","","Longobardi, Lauren E.; Zatsepin, Pavel; Korol, Roman; Liu, Lei; Grimme, Stefan; Stephan, Douglas W.","Reactions of Boron-Derived Radicals with Nucleophiles.","Journal of the American Chemical Society","2017","139","1","426","435","10.1021/jacs.6b11190","","","0.71073","MoKα","","0.1565","0.0616","","","0.0965","0.1239","","","","","","1.008","","","","has coordinates","193473","2020-10-21","18:00:00",""
"4125380","11.266","0.013","14.188","0.016","15.869","0.018","93.22","0.03","109.04","0.03","106.77","0.05","2264","5","150","2","150","2","","","","","","","","7","P -1","-P 1","2","","","","- C48 H26 B Cl4 F10 O2 P -","- C48 H26 B Cl4 F10 O2 P -","- C96 H52 B2 Cl8 F20 O4 P2 -","2","1","","Longobardi, Lauren E.; Zatsepin, Pavel; Korol, Roman; Liu, Lei; Grimme, Stefan; Stephan, Douglas W.","Reactions of Boron-Derived Radicals with Nucleophiles.","Journal of the American Chemical Society","2017","139","1","426","435","10.1021/jacs.6b11190","","","0.71073","MoKα","","0.1249","0.081","","","0.2234","0.2545","","","","","","1.121","","","","has coordinates,has disorder","193473","2020-10-21","18:00:00",""
"4125381","20.116","0.006","16.403","0.003","23.728","0.006","90","","90","","90","","7829","3","150","2","150","2","","","","","","","","7","P b c a","-P 2ac 2ab","61","","","","- C39 H38 B Cl2 F10 O2 P -","- C39 H38 B Cl2 F10 O2 P -","- C312 H304 B8 Cl16 F80 O16 P8 -","8","1","","Longobardi, Lauren E.; Zatsepin, Pavel; Korol, Roman; Liu, Lei; Grimme, Stefan; Stephan, Douglas W.","Reactions of Boron-Derived Radicals with Nucleophiles.","Journal of the American Chemical Society","2017","139","1","426","435","10.1021/jacs.6b11190","","","0.71073","MoKα","","0.1362","0.0606","","","0.1333","0.1641","","","","","","1.007","","","","has coordinates","193473","2020-10-21","18:00:00",""
"4125382","14.349","0.002","14.6217","0.0018","21.734","0.003","90","","103.312","0.007","90","","4437.4","1","150","2","150","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C48 H33 B Cl2 F10 N2 O2 -","- C48 H33 B Cl2 F10 N2 O2 -","- C192 H132 B4 Cl8 F40 N8 O8 -","4","1","","Longobardi, Lauren E.; Zatsepin, Pavel; Korol, Roman; Liu, Lei; Grimme, Stefan; Stephan, Douglas W.","Reactions of Boron-Derived Radicals with Nucleophiles.","Journal of the American Chemical Society","2017","139","1","426","435","10.1021/jacs.6b11190","","","0.71073","MoKα","","0.1071","0.0507","","","0.1129","0.1443","","","","","","1.018","","","","has coordinates,has disorder","193473","2020-10-21","18:00:00",""
"4125383","11.9389","0.0006","12.3205","0.0007","13.4662","0.0007","75.071","0.003","79.753","0.003","76.984","0.003","1849.57","0.17","150","2","150","2","","","","","","","","6","P -1","-P 1","2","","","","- C45 H30 B F10 O2 P -","- C45 H30 B F10 O2 P -","- C90 H60 B2 F20 O4 P2 -","2","1","","Longobardi, Lauren E.; Zatsepin, Pavel; Korol, Roman; Liu, Lei; Grimme, Stefan; Stephan, Douglas W.","Reactions of Boron-Derived Radicals with Nucleophiles.","Journal of the American Chemical Society","2017","139","1","426","435","10.1021/jacs.6b11190","","","0.71073","MoKα","","0.0681","0.0477","","","0.1279","0.1407","","","","","","1.023","","","","has coordinates","193473","2020-10-21","18:00:00",""
"4125384","10.1843","0.001","12.478","0.0012","14.2277","0.0013","96.946","0.006","94.317","0.006","113.853","0.005","1626.1","0.3","150","2","150","2","","","","","","","","6","P -1","-P 1","2","","","","- C39 H32 B F10 N O3.5 -","- C39 H32 B F10 N O3.5 -","- C78 H64 B2 F20 N2 O7 -","2","1","","Longobardi, Lauren E.; Zatsepin, Pavel; Korol, Roman; Liu, Lei; Grimme, Stefan; Stephan, Douglas W.","Reactions of Boron-Derived Radicals with Nucleophiles.","Journal of the American Chemical Society","2017","139","1","426","435","10.1021/jacs.6b11190","","","0.71073","MoKα","","0.1292","0.0521","","","0.1034","0.1285","","","","","","0.99","","","","has coordinates,has disorder","193473","2020-10-21","18:00:00",""
"4125385","17.84","0.002","11.2767","0.0013","18.421","0.002","90","","106.581","0.005","90","","3551.8","0.7","150","2","150","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C40 H35 B F10 N2 O2 -","- C40 H35 B F10 N2 O2 -","- C160 H140 B4 F40 N8 O8 -","4","1","","Longobardi, Lauren E.; Zatsepin, Pavel; Korol, Roman; Liu, Lei; Grimme, Stefan; Stephan, Douglas W.","Reactions of Boron-Derived Radicals with Nucleophiles.","Journal of the American Chemical Society","2017","139","1","426","435","10.1021/jacs.6b11190","","","0.71073","MoKα","","0.1573","0.0574","","","0.0962","0.1227","","","","","","1.004","","","","has coordinates,has disorder","193473","2020-10-21","18:00:00",""
"4125386","10.79777","0.00008","18.02876","0.00011","18.36383","0.00014","90","","95.7982","0.0007","90","","3556.6","0.04","110","2","110","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C68 H116 Cl2 Cu N8 O10 -","- C68 H116 Cl2 Cu N8 O10 -","- C136 H232 Cl4 Cu2 N16 O20 -","2","0.5","","Adam, Suzanne M.; Garcia-Bosch, Isaac; Schaefer, Andrew W.; Sharma, Savita K.; Siegler, Maxime A.; Solomon, Edward I.; Karlin, Kenneth D.","Critical Aspects of Heme-Peroxo-Cu Complex Structure and Nature of Proton Source Dictate Metal-Operoxo Breakage versus Reductive O-O Cleavage Chemistry.","Journal of the American Chemical Society","2017","139","1","472","481","10.1021/jacs.6b11322","","","1.54178","CuKα","","0.0415","0.0402","","","0.1115","0.1126","","","","","","1.036","","","","has coordinates,has disorder","193466","2020-10-21","18:00:00",""
"4125387","7.2563","0.0007","19.6314","0.0019","8.5775","0.0008","90","","90.146","0.003","90","","1221.9","0.2","102","2","102","2","","","","","","","","7","P 1 21/m 1","-P 2yb","11","","","","- C21 H16 Cl4 Cu F6 N2 O -","- C21 H16 Cl4 Cu F6 N2 O -","- C42 H32 Cl8 Cu2 F12 N4 O2 -","2","0.5","","Kundu, Subrata; Kim, William Y.; Bertke, Jeffery A.; Warren, Timothy H.","Copper(II) Activation of Nitrite: Nitrosation of Nucleophiles and Generation of NO by Thiols.","Journal of the American Chemical Society","2017","139","3","1045","1048","10.1021/jacs.6b11332","","","0.71073","MoKα","","0.0434","0.0355","","","0.0777","0.0809","","","","","","1.072","","","","has coordinates,has disorder","193524","2020-10-21","18:00:00",""
"4125388","12.494","0.003","13.226","0.003","23.435","0.005","90","","104.249","0.003","90","","3753.4","1.5","100","2","100","2","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C37 H37 Cl4 Cu F6 N2 S2 -","- C37 H37 Cl4 Cu F6 N2 S2 -","- C148 H148 Cl16 Cu4 F24 N8 S8 -","4","1","","Kundu, Subrata; Kim, William Y.; Bertke, Jeffery A.; Warren, Timothy H.","Copper(II) Activation of Nitrite: Nitrosation of Nucleophiles and Generation of NO by Thiols.","Journal of the American Chemical Society","2017","139","3","1045","1048","10.1021/jacs.6b11332","","","0.71073","MoKα","","0.0377","0.034","","","0.1145","0.1159","","","","","","1.318","","","","has coordinates,has disorder","193524","2020-10-21","18:00:00",""
"4125389","17.9172","0.0011","17.5654","0.001","25.9568","0.0015","90","","90","","90","","8169.2","0.8","100","2","100","2","","","","","","","","7","P b c a","-P 2ac 2ab","61","","[Cl2NNF6]Cu(tBuBnSSBntBu)","","- C39 H37 Cl4 Cu F6 N2 S2 -","- C39 H37 Cl4 Cu F6 N2 S2 -","- C312 H296 Cl32 Cu8 F48 N16 S16 -","8","1","","Kundu, Subrata; Kim, William Y.; Bertke, Jeffery A.; Warren, Timothy H.","Copper(II) Activation of Nitrite: Nitrosation of Nucleophiles and Generation of NO by Thiols.","Journal of the American Chemical Society","2017","139","3","1045","1048","10.1021/jacs.6b11332","","","0.71073","MoKα","","0.0474","0.033","","","0.0689","0.0726","","","","","","1.032","","","","has coordinates,has disorder","193524","2020-10-21","18:00:00",""
"4125390","17.958","0.0003","8.561","0.0006","18.156","0.0007","90","","90","","90","","2791.3","0.2","130","2","130","2","","","","","","","","6","P n a 21","P 2c -2n","33","FePrPrAmideData3","'FePrPrAmideData3'","","- C23 H47 Fe N4 O2 S2 -","- C23 H47 Fe N4 O2 S2 -","- C92 H188 Fe4 N16 O8 S8 -","4","1","","Villar-Acevedo, Gloria; Lugo-Mas, Priscilla; Blakely, Maike N.; Rees, Julian A.; Ganas, Abbie S.; Hanada, Erin M.; Kaminsky, Werner; Kovacs, Julie A.","Metal-Assisted Oxo Atom Addition to an Fe(III) Thiolate.","Journal of the American Chemical Society","2017","139","1","119","129","10.1021/jacs.6b03512","","","0.71073","MoKα","","0.0868","0.0477","","","0.1075","0.1219","","","","","","0.94","","","","has coordinates","193471","2020-10-21","18:00:00",""
"4125391","25.3369","0.0005","25.3369","0.0005","114.6628","0.0017","90","","90","","120","","63747","2","100","0.1","100","0.1","","","","","","","","8","R -3","-R 3","148","","","","- C379 H345 Ag63 B Cl6 F71.41 P8 S36 -","- C376 H339 Ag63 B0.9999 F71.406 P8 S36 -","- C2256 H2034 Ag378 B5.9994 F428.436 P48 S216 -","6","","","Yang, Huayan; Yan, Juanzhu; Wang, Yu; Su, Haifeng; Gell, Lars; Zhao, Xiaojing; Xu, Chaofa; Teo, Boon K.; Häkkinen, Hannu; Zheng, Nanfeng","Embryonic Growth of Face-Center-Cubic Silver Nanoclusters Shaped in Nearly Perfect Half-Cubes and Cubes.","Journal of the American Chemical Society","2017","139","1","31","34","10.1021/jacs.6b10053","","","1.54184","CuKα","","0.096","0.0688","","","0.1909","0.2078","","","","","","1.054","","","","has coordinates,has disorder","193464","2020-10-21","18:00:00",""
"4125392","25.2879","0.0004","25.2879","0.0004","114.758","0.002","90","","90","","120","","63553.5","1.8","100.01","0.1","100.01","0.1","","","","","","","","6","R -3","-R 3","148","","","","- C315 Ag63 Br F72 P8 S36 -","- C315 Ag63 Br0.9999 F72 P8 S36 -","- C1890 Ag378 Br5.9994 F432 P48 S216 -","6","","","Yang, Huayan; Yan, Juanzhu; Wang, Yu; Su, Haifeng; Gell, Lars; Zhao, Xiaojing; Xu, Chaofa; Teo, Boon K.; Häkkinen, Hannu; Zheng, Nanfeng","Embryonic Growth of Face-Center-Cubic Silver Nanoclusters Shaped in Nearly Perfect Half-Cubes and Cubes.","Journal of the American Chemical Society","2017","139","1","31","34","10.1021/jacs.6b10053","","","1.54184","CuKα","","0.152","0.1246","","","0.3893","0.4101","","","","","","1.09","","","","has coordinates","193464","2020-10-21","18:00:00",""
"4125393","23.5229","0.0002","22.1084","0.0002","30.7227","0.0003","90","","101.956","0.0009","90","","15630.8","0.3","100.01","0.1","100.01","0.1","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C256 H294 Ag38 Cl8 F52 P8 S26 -","- C256 H294 Ag38 Cl8 F52 P8 S26 -","- C512 H588 Ag76 Cl16 F104 P16 S52 -","2","0.5","","Yang, Huayan; Yan, Juanzhu; Wang, Yu; Su, Haifeng; Gell, Lars; Zhao, Xiaojing; Xu, Chaofa; Teo, Boon K.; Häkkinen, Hannu; Zheng, Nanfeng","Embryonic Growth of Face-Center-Cubic Silver Nanoclusters Shaped in Nearly Perfect Half-Cubes and Cubes.","Journal of the American Chemical Society","2017","139","1","31","34","10.1021/jacs.6b10053","","","1.54184","CuKα","","0.0693","0.0595","","","0.161","0.1691","","","","","","1.078","","","","has coordinates,has disorder","193464","2020-10-21","18:00:00",""
"4125394","21.5588","0.0018","21.5588","0.0018","21.5588","0.0018","90","","90","","90","","10020.1","1.4","298","","298","","","","","","","","","5","P m -3 m","-P 4 2 3","221","","","","- C127.92 H73.12 N27.44 Ni10.24 O21.98 -","- C127.848 H73.056 N27.396 Ni10.283 O21.9684 -","- C127.848 H73.056 N27.396 Ni10.283 O21.9684 -","1","0.0208333","","Lv, Xiu-Liang; Wang, Kecheng; Wang, Bin; Su, Jie; Zou, Xiaodong; Xie, Yabo; Li, Jian-Rong; Zhou, Hong-Cai","A Base-Resistant Metalloporphyrin Metal-Organic Framework for C-H Bond Halogenation.","Journal of the American Chemical Society","2017","139","1","211","217","10.1021/jacs.6b09463","powder diffraction","x-ray","0.45336","Synchrotron","","","","","","","","","0.0199","5.219","","","","","","","has coordinates","193468","2020-10-21","18:00:00",""
"4125395","15.571","0.0011","27.889","0.0019","13.1594","0.0009","90","","93.496","0.001","90","","5704","0.7","296","2","296","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C31 H33 B Cl Ir N3 Si -","- C31 H33 B Cl Ir N3 Si -","- C248 H264 B8 Cl8 Ir8 N24 Si8 -","8","2","","Wang, Guanghui; Liu, Li; Wang, Hong; Ding, You-Song; Zhou, Jing; Mao, Shuai; Li, Pengfei","N,B-Bidentate Boryl Ligand-Supported Iridium Catalyst for Efficient Functional-Group-Directed C-H Borylation.","Journal of the American Chemical Society","2017","139","1","91","94","10.1021/jacs.6b11867","","","0.71073","MoKα","","0.0258","0.02","","","0.0469","0.0493","","","","","","1.052","","","","has coordinates","252331","2020-10-21","18:00:00",""
"4125396","11.047","0.007","11.047","0.007","42.43","0.03","90","","90","","90","","5178","6","296","2","296","2","","","","","","","","7","P 41 21 2","P 4abw 2nw","92","","","","- C27 H27 B Cl Ir N3 Si -","- C27 H27 B Cl Ir N3 Si -","- C216 H216 B8 Cl8 Ir8 N24 Si8 -","8","1","","Wang, Guanghui; Liu, Li; Wang, Hong; Ding, You-Song; Zhou, Jing; Mao, Shuai; Li, Pengfei","N,B-Bidentate Boryl Ligand-Supported Iridium Catalyst for Efficient Functional-Group-Directed C-H Borylation.","Journal of the American Chemical Society","2017","139","1","91","94","10.1021/jacs.6b11867","","","0.71073","MoKα","","0.0243","0.0236","","","0.0492","0.0495","","","","","","1.287","","","","has coordinates","193470","2020-10-21","18:00:00",""
"4125397","11.1773","0.0005","12.6727","0.0006","18.2164","0.0011","100.992","0.004","97.611","0.004","91.693","0.003","2506.7","0.2","100","2","100","2","","","","","","","","5","P 1","P 1","1","","","","- C21.38 H32.5 B N4 O6.38 -","- C21.375 H32.5 B N4 O6.375 -","- C85.5 H130 B4 N16 O25.5 -","4","4","","Bandyopadhyay, Anupam; Cambray, Samantha; Gao, Jianmin","Fast Diazaborine Formation of Semicarbazide Enables Facile Labeling of Bacterial Pathogens.","Journal of the American Chemical Society","2017","139","2","871","878","10.1021/jacs.6b11115","","","1.54178","CuKα","","0.125","0.0905","","","0.2294","0.2604","","","","","","0.976","","","","has coordinates","193506","2020-10-21","18:00:00",""
"4125406","20.1406","0.0012","23.222","0.0012","23.1156","0.0014","90","","108.643","0.004","90","","10244","1","123","","123","","","","","","","","L. Bueldt","5","P 1 21/c 1","-P 2ybc","14","","","","- C112 H140 Cr N6 O -","- C112 H140 Cr N6 O -","- C448 H560 Cr4 N24 O4 -","4","1","","Büldt, Laura A; Guo, Xingwei; Vogel, Raphael; Prescimone, Alessandro; Wenger, Oliver S.","A Tris(diisocyanide)chromium(0) Complex Is a Luminescent Analog of Fe(2,2'-Bipyridine)3(2).","Journal of the American Chemical Society","2017","139","2","985","992","10.1021/jacs.6b11803","","","1.5418","CuKα","","0.2181","0.0836","","0.3329","0.211","0.3327","","","","","","1.0288","","","","has coordinates","193507","2020-10-21","18:00:00",""
"4125407","16.834","0.002","31.679","0.004","19.255","0.002","90","","106.808","0.0015","90","","9830","2","120","2","120","2","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","[SbPd12Sb20]-cluster","","- C55 H136 N7 O0 P3 Pd12 Sb21 -","- C48.004 H108.009 P3 Pd12 Sb21 -","- C192.016 H432.036 P12 Pd48 Sb84 -","4","1","","Wang, Yi; Moses-DeBusk, Melanie; Stevens, Lauren; Hu, Junkai; Zavalij, Peter; Bowen, Kit; Dunlap, Brett I.; Glaser, Evan R.; Eichhorn, Bryan","Sb@Ni12@Sb20(-/+) and Sb@Pd12@Sb20(n) Cluster Anions, Where n = +1, -1, -3, -4: Multi-Oxidation-State Clusters of Interpenetrating Platonic Solids.","Journal of the American Chemical Society","2017","139","2","619","622","10.1021/jacs.6b12109","","","0.71073","MoKα","","0.1078","0.0627","","","0.1383","0.156","","","","","","1.149","","","","has coordinates,has disorder","193505","2020-10-21","18:00:00",""
"4125408","19.3446","0.0017","20.8536","0.0018","19.6141","0.0018","90","","117.117","0.0014","90","","7042.7","1.1","150","2","150","2","","","","","","","","5","C 1 2/m 1","-C 2y","12","","Pd12Sn21 cluster","","- C92 H176 P4 Pd12 Sb21 -","- C64 H144 P4 Pd12 Sb21 -","- C128 H288 P8 Pd24 Sb42 -","2","0.25","","Wang, Yi; Moses-DeBusk, Melanie; Stevens, Lauren; Hu, Junkai; Zavalij, Peter; Bowen, Kit; Dunlap, Brett I.; Glaser, Evan R.; Eichhorn, Bryan","Sb@Ni12@Sb20(-/+) and Sb@Pd12@Sb20(n) Cluster Anions, Where n = +1, -1, -3, -4: Multi-Oxidation-State Clusters of Interpenetrating Platonic Solids.","Journal of the American Chemical Society","2017","139","2","619","622","10.1021/jacs.6b12109","","","0.71073","MoKα","","0.075","0.0594","","","0.1278","0.1328","","","","","","1.067","","","","has coordinates,has disorder","193505","2020-10-21","18:00:00",""
"4125409","13.5312","0.0006","7.1004","0.0003","24.8852","0.0011","90","","100.262","0.0007","90","","2352.65","0.18","298","2","298","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C27 H27 I N2 -","- C27 H27 I N2 -","- C108 H108 I4 N8 -","4","1","","Catalano, Luca; Perez-Estrada, Salvador; Wang, Hsin-Hua; Ayitou, Anoklase J.-L.; Khan, Saeed I.; Terraneo, Giancarlo; Metrangolo, Pierangelo; Brown, Stuart; Garcia-Garibay, Miguel A","Rotational Dynamics of Diazabicyclo[2.2.2]octane in Isomorphous Halogen-Bonded Co-crystals: Entropic and Enthalpic Effects.","Journal of the American Chemical Society","2017","","","","","10.1021/jacs.6b10780","","","0.71073","MoKα","","0.0351","0.0258","","","0.0623","0.0671","","","","","","1.019","","","","has coordinates,has disorder","190014","2020-10-21","18:00:00",""
"4125410","10.387","0.003","12.581","0.003","17.001","0.004","74.868","0.006","75.734","0.006","68.376","0.006","1965.6","0.9","120","2","120","2","","","","","","","","4","P -1","-P 1","2","","","","- C34 H44 Cl10 Rh2 -","- C34 H44 Cl10 Rh2 -","- C68 H88 Cl20 Rh4 -","2","1","","Piou, Tiffany; Romanov-Michailidis, Fedor; Romanova-Michaelides, Maria; Jackson, Kelvin E.; Semakul, Natthawat; Taggart, Trevor D.; Newell, Brian S.; Rithner, Christopher D.; Paton, Robert S.; Rovis, Tomislav","Correlating Reactivity and Selectivity to Cyclopentadienyl Ligand Properties in Rh(III)-Catalyzed C-H Activation Reactions: An Experimental and Computational Study.","Journal of the American Chemical Society","2017","139","3","1296","1310","10.1021/jacs.6b11670","","","0.71073","MoKα","","0.1257","0.0529","","","0.1135","0.1694","","","","","","0.984","","","","has coordinates","193520","2020-10-21","18:00:00",""
"4125411","8.8158","0.0003","10.8021","0.0004","15.834","0.0006","90","","99.18","0.0016","90","","1488.55","0.09","100","2","100","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C24 H42 Cl4 Rh2 Si2 -","- C24 H42 Cl4 Rh2 Si2 -","- C48 H84 Cl8 Rh4 Si4 -","2","0.5","","Piou, Tiffany; Romanov-Michailidis, Fedor; Romanova-Michaelides, Maria; Jackson, Kelvin E.; Semakul, Natthawat; Taggart, Trevor D.; Newell, Brian S.; Rithner, Christopher D.; Paton, Robert S.; Rovis, Tomislav","Correlating Reactivity and Selectivity to Cyclopentadienyl Ligand Properties in Rh(III)-Catalyzed C-H Activation Reactions: An Experimental and Computational Study.","Journal of the American Chemical Society","2017","139","3","1296","1310","10.1021/jacs.6b11670","","","0.71073","MoKα","","0.0538","0.0332","","","0.0813","0.1181","","","","","","1.186","","","","has coordinates","193520","2020-10-21","18:00:00",""
"4125412","8.7569","0.0006","17.2308","0.0012","20.2703","0.0014","107.469","0.0016","90.3607","0.0016","98.5771","0.0016","2880.6","0.3","120","2","120","2","","","","","","","","4","P -1","-P 1","2","","","","- C30 H34 Cl4 Rh2 -","- C30 H34 Cl4 Rh2 -","- C120 H136 Cl16 Rh8 -","4","2","","Piou, Tiffany; Romanov-Michailidis, Fedor; Romanova-Michaelides, Maria; Jackson, Kelvin E.; Semakul, Natthawat; Taggart, Trevor D.; Newell, Brian S.; Rithner, Christopher D.; Paton, Robert S.; Rovis, Tomislav","Correlating Reactivity and Selectivity to Cyclopentadienyl Ligand Properties in Rh(III)-Catalyzed C-H Activation Reactions: An Experimental and Computational Study.","Journal of the American Chemical Society","2017","139","3","1296","1310","10.1021/jacs.6b11670","","","0.71073","MoKα","","0.0352","0.0255","","","0.0683","0.0827","","","","","","1.145","","","","has coordinates,has disorder","193520","2020-10-21","18:00:00",""
"4125413","22.258","0.003","12.0838","0.0016","32.954","0.004","90","","94.378","0.003","90","","8837","2","120","2","120","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C26 H42 Cl4 Rh2 -","- C26 H42 Cl4 Rh2 -","- C312 H504 Cl48 Rh24 -","12","1.5","","Piou, Tiffany; Romanov-Michailidis, Fedor; Romanova-Michaelides, Maria; Jackson, Kelvin E.; Semakul, Natthawat; Taggart, Trevor D.; Newell, Brian S.; Rithner, Christopher D.; Paton, Robert S.; Rovis, Tomislav","Correlating Reactivity and Selectivity to Cyclopentadienyl Ligand Properties in Rh(III)-Catalyzed C-H Activation Reactions: An Experimental and Computational Study.","Journal of the American Chemical Society","2017","139","3","1296","1310","10.1021/jacs.6b11670","","","0.71073","MoKα","","0.0774","0.0435","","","0.0705","0.0787","","","","","","1.054","","","","has coordinates","193520","2020-10-21","18:00:00",""
"4125414","16.2813","0.0007","16.6938","0.0007","13.754","0.0006","90","","106.587","0.0017","90","","3582.7","0.3","100","2","100","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C23 H33 Cl13 Rh2 -","- C23 H33 Cl13 Rh2 -","- C92 H132 Cl52 Rh8 -","4","1","","Piou, Tiffany; Romanov-Michailidis, Fedor; Romanova-Michaelides, Maria; Jackson, Kelvin E.; Semakul, Natthawat; Taggart, Trevor D.; Newell, Brian S.; Rithner, Christopher D.; Paton, Robert S.; Rovis, Tomislav","Correlating Reactivity and Selectivity to Cyclopentadienyl Ligand Properties in Rh(III)-Catalyzed C-H Activation Reactions: An Experimental and Computational Study.","Journal of the American Chemical Society","2017","139","3","1296","1310","10.1021/jacs.6b11670","","","0.71073","MoKα","","0.0519","0.0307","","","0.0766","0.0927","","","","","","1.067","","","","has coordinates,has disorder","193520","2020-10-21","18:00:00",""
"4125415","7.69","0.0006","11.9817","0.0009","16.7847","0.0012","90","","100.257","0.002","90","","1521.8","0.2","120","2","120","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C30 H46 Cl4 Rh2 -","- C30 H46 Cl4 Rh2 -","- C60 H92 Cl8 Rh4 -","2","0.5","","Piou, Tiffany; Romanov-Michailidis, Fedor; Romanova-Michaelides, Maria; Jackson, Kelvin E.; Semakul, Natthawat; Taggart, Trevor D.; Newell, Brian S.; Rithner, Christopher D.; Paton, Robert S.; Rovis, Tomislav","Correlating Reactivity and Selectivity to Cyclopentadienyl Ligand Properties in Rh(III)-Catalyzed C-H Activation Reactions: An Experimental and Computational Study.","Journal of the American Chemical Society","2017","139","3","1296","1310","10.1021/jacs.6b11670","","","0.71073","MoKα","","0.0566","0.0375","","","0.0775","0.0851","","","","","","1.022","","","","has coordinates,has disorder","193520","2020-10-21","18:00:00",""
"4125416","8.6256","0.0004","8.6786","0.0004","20.448","0.001","90","","90.4595","0.0015","90","","1530.65","0.12","120","2","120","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C32 H38 Cl4 Rh2 -","- C32 H38 Cl4 Rh2 -","- C64 H76 Cl8 Rh4 -","2","0.5","","Piou, Tiffany; Romanov-Michailidis, Fedor; Romanova-Michaelides, Maria; Jackson, Kelvin E.; Semakul, Natthawat; Taggart, Trevor D.; Newell, Brian S.; Rithner, Christopher D.; Paton, Robert S.; Rovis, Tomislav","Correlating Reactivity and Selectivity to Cyclopentadienyl Ligand Properties in Rh(III)-Catalyzed C-H Activation Reactions: An Experimental and Computational Study.","Journal of the American Chemical Society","2017","139","3","1296","1310","10.1021/jacs.6b11670","","","0.71073","MoKα","","0.0336","0.0235","","","0.0679","0.0898","","","","","","1.272","","","","has coordinates","193520","2020-10-21","18:00:00",""
"4125417","37.104","0.003","8.7364","0.0007","20.2317","0.0017","90","","107.84","0.004","90","","6242.9","0.9","120","2","120","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C32 H38 Cl4 O2 Rh2 -","- C32 H38 Cl4 O2 Rh2 -","- C256 H304 Cl32 O16 Rh16 -","8","1","","Piou, Tiffany; Romanov-Michailidis, Fedor; Romanova-Michaelides, Maria; Jackson, Kelvin E.; Semakul, Natthawat; Taggart, Trevor D.; Newell, Brian S.; Rithner, Christopher D.; Paton, Robert S.; Rovis, Tomislav","Correlating Reactivity and Selectivity to Cyclopentadienyl Ligand Properties in Rh(III)-Catalyzed C-H Activation Reactions: An Experimental and Computational Study.","Journal of the American Chemical Society","2017","139","3","1296","1310","10.1021/jacs.6b11670","","","0.71073","MoKα","","0.0502","0.0375","","","0.112","0.1424","","","","","","1.193","","","","has coordinates","193520","2020-10-21","18:00:00",""
"4125418","9.6416","0.0007","12.1709","0.0008","12.2625","0.0008","98.803","0.003","101.711","0.003","91.939","0.003","1389.28","0.16","100","2","100","2","","","","","","","","4","P -1","-P 1","2","","","","- C20 H24 Cl10 Rh2 -","- C20 H24 Cl10 Rh2 -","- C40 H48 Cl20 Rh4 -","2","1","","Piou, Tiffany; Romanov-Michailidis, Fedor; Romanova-Michaelides, Maria; Jackson, Kelvin E.; Semakul, Natthawat; Taggart, Trevor D.; Newell, Brian S.; Rithner, Christopher D.; Paton, Robert S.; Rovis, Tomislav","Correlating Reactivity and Selectivity to Cyclopentadienyl Ligand Properties in Rh(III)-Catalyzed C-H Activation Reactions: An Experimental and Computational Study.","Journal of the American Chemical Society","2017","139","3","1296","1310","10.1021/jacs.6b11670","","","0.71073","MoKα","","0.041","0.0282","","","0.0725","0.0961","","","","","","1.152","","","","has coordinates","193520","2020-10-21","18:00:00",""
"4125419","28.244","0.003","28.244","0.003","8.1899","0.0011","90","","90","","120","","5658","1.1","120","2","120","2","","","","","","","","5","R -3 :H","-R 3","148","","","","- C20 H24 Cl4 F6 Rh2 -","- C20 H24 Cl4 F6 Rh2 -","- C180 H216 Cl36 F54 Rh18 -","9","0.5","","Piou, Tiffany; Romanov-Michailidis, Fedor; Romanova-Michaelides, Maria; Jackson, Kelvin E.; Semakul, Natthawat; Taggart, Trevor D.; Newell, Brian S.; Rithner, Christopher D.; Paton, Robert S.; Rovis, Tomislav","Correlating Reactivity and Selectivity to Cyclopentadienyl Ligand Properties in Rh(III)-Catalyzed C-H Activation Reactions: An Experimental and Computational Study.","Journal of the American Chemical Society","2017","139","3","1296","1310","10.1021/jacs.6b11670","","","0.71073","MoKα","","0.0567","0.033","","","0.0689","0.0868","","","","","","1.105","","","","has coordinates","193520","2020-10-21","18:00:00",""
"4125420","14.185","0.0005","7.9695","0.0003","20.6751","0.0007","90","","102.411","0.0013","90","","2282.64","0.14","100","2","100","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C32 H26 Cl10 F10 Rh2 -","- C32 H26 Cl10 F10 Rh2 -","- C64 H52 Cl20 F20 Rh4 -","2","0.5","","Piou, Tiffany; Romanov-Michailidis, Fedor; Romanova-Michaelides, Maria; Jackson, Kelvin E.; Semakul, Natthawat; Taggart, Trevor D.; Newell, Brian S.; Rithner, Christopher D.; Paton, Robert S.; Rovis, Tomislav","Correlating Reactivity and Selectivity to Cyclopentadienyl Ligand Properties in Rh(III)-Catalyzed C-H Activation Reactions: An Experimental and Computational Study.","Journal of the American Chemical Society","2017","139","3","1296","1310","10.1021/jacs.6b11670","","","0.71073","MoKα","","0.099","0.0495","","","0.1234","0.1631","","","","","","1.042","","","","has coordinates","193520","2020-10-21","18:00:00",""
"4125421","8.9257","0.0003","7.2269","0.0003","16.0203","0.0006","90","","101.235","0.0014","90","","1013.59","0.07","100","2","100","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C18 H26 Cl4 Rh2 -","- C18 H26 Cl4 Rh2 -","- C36 H52 Cl8 Rh4 -","2","0.5","","Piou, Tiffany; Romanov-Michailidis, Fedor; Romanova-Michaelides, Maria; Jackson, Kelvin E.; Semakul, Natthawat; Taggart, Trevor D.; Newell, Brian S.; Rithner, Christopher D.; Paton, Robert S.; Rovis, Tomislav","Correlating Reactivity and Selectivity to Cyclopentadienyl Ligand Properties in Rh(III)-Catalyzed C-H Activation Reactions: An Experimental and Computational Study.","Journal of the American Chemical Society","2017","139","3","1296","1310","10.1021/jacs.6b11670","","","0.71073","MoKα","","0.0264","0.0196","","","0.0569","0.0768","","","","","","1.333","","","","has coordinates","193520","2020-10-21","18:00:00",""
"4125422","9.8019","0.0004","6.9703","0.0003","13.8154","0.0007","90","","104.652","0.003","90","","913.2","0.07","120","2","120","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C16 H22 Cl4 Rh2 -","- C16 H22 Cl4 Rh2 -","- C32 H44 Cl8 Rh4 -","2","0.5","","Piou, Tiffany; Romanov-Michailidis, Fedor; Romanova-Michaelides, Maria; Jackson, Kelvin E.; Semakul, Natthawat; Taggart, Trevor D.; Newell, Brian S.; Rithner, Christopher D.; Paton, Robert S.; Rovis, Tomislav","Correlating Reactivity and Selectivity to Cyclopentadienyl Ligand Properties in Rh(III)-Catalyzed C-H Activation Reactions: An Experimental and Computational Study.","Journal of the American Chemical Society","2017","139","3","1296","1310","10.1021/jacs.6b11670","","","0.71073","MoKα","","0.0472","0.0302","","","0.0578","0.0638","","","","","","1.04","","","","has coordinates","193520","2020-10-21","18:00:00",""
"4125423","8.32","0.002","8.922","0.002","9.425","0.003","102.237","0.009","106.68","0.008","94.698","0.009","647.3","0.3","120","2","120","2","","","","","","","","4","P -1","-P 1","2","","","","- C24 H38 Cl4 Rh2 -","- C24 H38 Cl4 Rh2 -","- C24 H38 Cl4 Rh2 -","1","0.5","","Piou, Tiffany; Romanov-Michailidis, Fedor; Romanova-Michaelides, Maria; Jackson, Kelvin E.; Semakul, Natthawat; Taggart, Trevor D.; Newell, Brian S.; Rithner, Christopher D.; Paton, Robert S.; Rovis, Tomislav","Correlating Reactivity and Selectivity to Cyclopentadienyl Ligand Properties in Rh(III)-Catalyzed C-H Activation Reactions: An Experimental and Computational Study.","Journal of the American Chemical Society","2017","139","3","1296","1310","10.1021/jacs.6b11670","","","0.71073","MoKα","","0.0511","0.035","","","0.0746","0.0926","","","","","","1.056","","","","has coordinates","193520","2020-10-21","18:00:00",""
"4125424","14.9273","0.0003","15.2598","0.0003","16.0016","0.0004","102.193","0.0011","115.757","0.001","95.4782","0.0011","3135.34","0.12","100","2","100","2","","","","","","","","4","P -1","-P 1","2","","","","- C33 H32 Cl6 Rh1.5 -","- C33 H32 Cl6 Rh1.5 -","- C132 H128 Cl24 Rh6 -","4","2","","Piou, Tiffany; Romanov-Michailidis, Fedor; Romanova-Michaelides, Maria; Jackson, Kelvin E.; Semakul, Natthawat; Taggart, Trevor D.; Newell, Brian S.; Rithner, Christopher D.; Paton, Robert S.; Rovis, Tomislav","Correlating Reactivity and Selectivity to Cyclopentadienyl Ligand Properties in Rh(III)-Catalyzed C-H Activation Reactions: An Experimental and Computational Study.","Journal of the American Chemical Society","2017","139","3","1296","1310","10.1021/jacs.6b11670","","","0.71073","MoKα","","0.0983","0.0489","","","0.1118","0.1584","","","","","","1.079","","","","has coordinates","193520","2020-10-21","18:00:00",""
"4125425","7.2985","0.0005","23.3122","0.0016","9.2025","0.0006","90","","109.431","0.003","90","","1476.57","0.17","100","2","100","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C22 H28 Cl10 Rh2 -","- C22 H28 Cl10 Rh2 -","- C44 H56 Cl20 Rh4 -","2","0.5","","Piou, Tiffany; Romanov-Michailidis, Fedor; Romanova-Michaelides, Maria; Jackson, Kelvin E.; Semakul, Natthawat; Taggart, Trevor D.; Newell, Brian S.; Rithner, Christopher D.; Paton, Robert S.; Rovis, Tomislav","Correlating Reactivity and Selectivity to Cyclopentadienyl Ligand Properties in Rh(III)-Catalyzed C-H Activation Reactions: An Experimental and Computational Study.","Journal of the American Chemical Society","2017","139","3","1296","1310","10.1021/jacs.6b11670","","","0.71073","MoKα","","0.0931","0.0601","","","0.1543","0.1797","","","","","","1.081","","","","has coordinates","193520","2020-10-21","18:00:00",""
"4125426","8.5293","0.0007","10.5886","0.0008","15.2966","0.0012","90","","97.5113","0.0016","90","","1369.63","0.19","120","2","120","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C26 H42 Cl4 Rh2 -","- C26 H42 Cl4 Rh2 -","- C52 H84 Cl8 Rh4 -","2","0.5","","Piou, Tiffany; Romanov-Michailidis, Fedor; Romanova-Michaelides, Maria; Jackson, Kelvin E.; Semakul, Natthawat; Taggart, Trevor D.; Newell, Brian S.; Rithner, Christopher D.; Paton, Robert S.; Rovis, Tomislav","Correlating Reactivity and Selectivity to Cyclopentadienyl Ligand Properties in Rh(III)-Catalyzed C-H Activation Reactions: An Experimental and Computational Study.","Journal of the American Chemical Society","2017","139","3","1296","1310","10.1021/jacs.6b11670","","","0.71073","MoKα","","0.0607","0.0385","","","0.0741","0.0829","","","","","","1.015","","","","has coordinates","193520","2020-10-21","18:00:00",""
"4125427","8.6286","0.0003","11.6386","0.0004","17.4135","0.0006","90","","100.959","0.002","90","","1716.86","0.1","100","2","100","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C40 H38 Cl4 Rh2 -","- C40 H38 Cl4 Rh2 -","- C80 H76 Cl8 Rh4 -","2","0.5","","Piou, Tiffany; Romanov-Michailidis, Fedor; Romanova-Michaelides, Maria; Jackson, Kelvin E.; Semakul, Natthawat; Taggart, Trevor D.; Newell, Brian S.; Rithner, Christopher D.; Paton, Robert S.; Rovis, Tomislav","Correlating Reactivity and Selectivity to Cyclopentadienyl Ligand Properties in Rh(III)-Catalyzed C-H Activation Reactions: An Experimental and Computational Study.","Journal of the American Chemical Society","2017","139","3","1296","1310","10.1021/jacs.6b11670","","","0.71073","MoKα","","0.066","0.0378","","","0.0664","0.0736","","","","","","1.034","","","","has coordinates","193520","2020-10-21","18:00:00",""
"4125428","8.8891","0.0007","9.1965","0.0007","11.9521","0.001","86.86","0.003","85.063","0.003","72.177","0.003","926.31","0.13","120","2","120","2","","","","","","","","5","P -1","-P 1","2","","","","- C34 H30 Cl4 F12 Rh2 -","- C34 H30 Cl4 F12 Rh2 -","- C34 H30 Cl4 F12 Rh2 -","1","0.5","","Piou, Tiffany; Romanov-Michailidis, Fedor; Romanova-Michaelides, Maria; Jackson, Kelvin E.; Semakul, Natthawat; Taggart, Trevor D.; Newell, Brian S.; Rithner, Christopher D.; Paton, Robert S.; Rovis, Tomislav","Correlating Reactivity and Selectivity to Cyclopentadienyl Ligand Properties in Rh(III)-Catalyzed C-H Activation Reactions: An Experimental and Computational Study.","Journal of the American Chemical Society","2017","139","3","1296","1310","10.1021/jacs.6b11670","","","0.71073","MoKα","","0.0274","0.0241","","","0.074","0.0837","","","","","","1.269","","","","has coordinates,has disorder","193520","2020-10-21","18:00:00",""
"4125429","27.0507","0.0015","9.8673","0.0005","11.7807","0.0006","90","","112.954","0.004","90","","2895.5","0.3","100","2","100","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C28 H42 Cl4 Rh2 -","- C28 H42 Cl4 Rh2 -","- C112 H168 Cl16 Rh8 -","4","0.5","","Piou, Tiffany; Romanov-Michailidis, Fedor; Romanova-Michaelides, Maria; Jackson, Kelvin E.; Semakul, Natthawat; Taggart, Trevor D.; Newell, Brian S.; Rithner, Christopher D.; Paton, Robert S.; Rovis, Tomislav","Correlating Reactivity and Selectivity to Cyclopentadienyl Ligand Properties in Rh(III)-Catalyzed C-H Activation Reactions: An Experimental and Computational Study.","Journal of the American Chemical Society","2017","139","3","1296","1310","10.1021/jacs.6b11670","","","0.71073","MoKα","","0.0664","0.0419","","","0.1012","0.1321","","","","","","1.127","","","","has coordinates","193520","2020-10-21","18:00:00",""
"4125430","5.846","0.0004","14.9613","0.0009","16.7311","0.0012","90","","90","","90","","1463.36","0.17","100","2","100","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","2-JML-95","","","- C19 H21 N -","- C19 H21 N -","- C76 H84 N4 -","4","1","","Lopchuk, Justin M.; Fjelbye, Kasper; Kawamata, Yu; Malins, Lara R.; Pan, Chung-Mao; Gianatassio, Ryan; Wang, Jie; Prieto, Liher; Bradow, James; Brandt, Thomas A.; Collins, Michael R.; Elleraas, Jeff; Ewanicki, Jason; Farrell, William; Fadeyi, Olugbeminiyi O.; Gallego, Gary M.; Mousseau, James J.; Oliver, Robert; Sach, Neal W.; Smith, Jason K.; Spangler, Jillian E.; Zhu, Huichin; Zhu, Jinjiang; Baran, Phil S.","Strain-Release Heteroatom Functionalization: Development, Scope, and Stereospecificity.","Journal of the American Chemical Society","2017","139","8","3209","3226","10.1021/jacs.6b13229","","","0.71073","MoKα","","0.0455","0.0415","","","0.102","0.1051","","","","","","1.022","","","","has coordinates","193491","2020-10-21","18:00:00",""
"4125431","6.7725","0.0007","13.8233","0.0013","11.1737","0.0018","90","","90","","90","","1046.1","0.2","100","","100","","","","","","","","","5","P n a 21","P 2c -2n","33","","","","- C11 H10 F2 O2 S -","- C11 H10 F2 O2 S -","- C44 H40 F8 O8 S4 -","4","1","","Lopchuk, Justin M.; Fjelbye, Kasper; Kawamata, Yu; Malins, Lara R.; Pan, Chung-Mao; Gianatassio, Ryan; Wang, Jie; Prieto, Liher; Bradow, James; Brandt, Thomas A.; Collins, Michael R.; Elleraas, Jeff; Ewanicki, Jason; Farrell, William; Fadeyi, Olugbeminiyi O.; Gallego, Gary M.; Mousseau, James J.; Oliver, Robert; Sach, Neal W.; Smith, Jason K.; Spangler, Jillian E.; Zhu, Huichin; Zhu, Jinjiang; Baran, Phil S.","Strain-Release Heteroatom Functionalization: Development, Scope, and Stereospecificity.","Journal of the American Chemical Society","2017","139","8","3209","3226","10.1021/jacs.6b13229","","","0.71073","MoKα","","0.0386","0.0308","","","0.0765","0.0822","","","","","","1.0374","","","","has coordinates,has disorder","278046","2022-09-21","15:45:41",""
"4125432","26.797","0.004","8.5062","0.0012","5.7903","0.0009","90","","90","","90","","1319.8","0.3","100","2","100","","","","","","","","","3","P n a 21","P 2c -2n","33","","","","- C16 H21 N -","- C16 H21 N -","- C64 H84 N4 -","4","1","","Lopchuk, Justin M.; Fjelbye, Kasper; Kawamata, Yu; Malins, Lara R.; Pan, Chung-Mao; Gianatassio, Ryan; Wang, Jie; Prieto, Liher; Bradow, James; Brandt, Thomas A.; Collins, Michael R.; Elleraas, Jeff; Ewanicki, Jason; Farrell, William; Fadeyi, Olugbeminiyi O.; Gallego, Gary M.; Mousseau, James J.; Oliver, Robert; Sach, Neal W.; Smith, Jason K.; Spangler, Jillian E.; Zhu, Huichin; Zhu, Jinjiang; Baran, Phil S.","Strain-Release Heteroatom Functionalization: Development, Scope, and Stereospecificity.","Journal of the American Chemical Society","2017","139","8","3209","3226","10.1021/jacs.6b13229","","x-ray","0.71073","MoKα","","0.0552","0.0485","","","0.1193","0.1258","","","","","","1.044","","","","has coordinates,has disorder","193491","2020-10-21","18:00:00",""
"4125433","6.6458","0.0002","8.1522","0.0003","48.228","0.0015","90","","90","","90","","2612.89","0.15","100","","100","","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C30 H33 F3 O4 S -","- C30 H33 F3 O4 S -","- C120 H132 F12 O16 S4 -","4","1","","Lopchuk, Justin M.; Fjelbye, Kasper; Kawamata, Yu; Malins, Lara R.; Pan, Chung-Mao; Gianatassio, Ryan; Wang, Jie; Prieto, Liher; Bradow, James; Brandt, Thomas A.; Collins, Michael R.; Elleraas, Jeff; Ewanicki, Jason; Farrell, William; Fadeyi, Olugbeminiyi O.; Gallego, Gary M.; Mousseau, James J.; Oliver, Robert; Sach, Neal W.; Smith, Jason K.; Spangler, Jillian E.; Zhu, Huichin; Zhu, Jinjiang; Baran, Phil S.","Strain-Release Heteroatom Functionalization: Development, Scope, and Stereospecificity.","Journal of the American Chemical Society","2017","139","8","3209","3226","10.1021/jacs.6b13229","","x-ray","1.54178","CuKα","","0.0414","0.0391","","","0.0953","0.0968","","","","","","1.047","","","","has coordinates,has disorder","193491","2020-10-21","18:00:00",""
"4125434","10.4069","0.0003","12.6398","0.0004","13.3704","0.0004","90","","90","","90","","1758.76","0.09","100","2","100","","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C18 H15 Br F2 O4 S -","- C18 H15 Br F2 O4 S -","- C72 H60 Br4 F8 O16 S4 -","4","1","","Lopchuk, Justin M.; Fjelbye, Kasper; Kawamata, Yu; Malins, Lara R.; Pan, Chung-Mao; Gianatassio, Ryan; Wang, Jie; Prieto, Liher; Bradow, James; Brandt, Thomas A.; Collins, Michael R.; Elleraas, Jeff; Ewanicki, Jason; Farrell, William; Fadeyi, Olugbeminiyi O.; Gallego, Gary M.; Mousseau, James J.; Oliver, Robert; Sach, Neal W.; Smith, Jason K.; Spangler, Jillian E.; Zhu, Huichin; Zhu, Jinjiang; Baran, Phil S.","Strain-Release Heteroatom Functionalization: Development, Scope, and Stereospecificity.","Journal of the American Chemical Society","2017","139","8","3209","3226","10.1021/jacs.6b13229","","x-ray","0.71073","MoKα","","0.0355","0.0315","","","0.0775","0.0797","","","","","","1.031","","","","has coordinates","193491","2020-10-21","18:00:00",""
"4125435","63.0115","0.0019","6.0061","0.0002","9.4791","0.0003","90","","98.186","0.001","90","","3550.8","0.2","100","","100","","","","","","","","","6","C 1 2 1","C 2y","5","","","","- C20 H21 F2 N O2 S -","- C20 H21 F2 N O2 S -","- C160 H168 F16 N8 O16 S8 -","8","2","","Lopchuk, Justin M.; Fjelbye, Kasper; Kawamata, Yu; Malins, Lara R.; Pan, Chung-Mao; Gianatassio, Ryan; Wang, Jie; Prieto, Liher; Bradow, James; Brandt, Thomas A.; Collins, Michael R.; Elleraas, Jeff; Ewanicki, Jason; Farrell, William; Fadeyi, Olugbeminiyi O.; Gallego, Gary M.; Mousseau, James J.; Oliver, Robert; Sach, Neal W.; Smith, Jason K.; Spangler, Jillian E.; Zhu, Huichin; Zhu, Jinjiang; Baran, Phil S.","Strain-Release Heteroatom Functionalization: Development, Scope, and Stereospecificity.","Journal of the American Chemical Society","2017","139","8","3209","3226","10.1021/jacs.6b13229","","x-ray","1.54178","CuKα","","0.0401","0.038","","","0.0984","0.1003","","","","","","1.064","","","","has coordinates","193491","2020-10-21","18:00:00",""
"4125436","9.6649","0.0015","5.7972","0.0009","25.224","0.004","90","","99.212","0.004","90","","1395.1","0.4","100","","100","","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C12 H14 F2 O5 S2 -","- C12 H14 F2 O5 S2 -","- C48 H56 F8 O20 S8 -","4","2","","Lopchuk, Justin M.; Fjelbye, Kasper; Kawamata, Yu; Malins, Lara R.; Pan, Chung-Mao; Gianatassio, Ryan; Wang, Jie; Prieto, Liher; Bradow, James; Brandt, Thomas A.; Collins, Michael R.; Elleraas, Jeff; Ewanicki, Jason; Farrell, William; Fadeyi, Olugbeminiyi O.; Gallego, Gary M.; Mousseau, James J.; Oliver, Robert; Sach, Neal W.; Smith, Jason K.; Spangler, Jillian E.; Zhu, Huichin; Zhu, Jinjiang; Baran, Phil S.","Strain-Release Heteroatom Functionalization: Development, Scope, and Stereospecificity.","Journal of the American Chemical Society","2017","139","8","3209","3226","10.1021/jacs.6b13229","","x-ray","0.71073","MoKα","K-L~3~","0.0389","0.0334","","","0.0731","0.0762","","","","","","1.022","","","","has coordinates","193491","2020-10-21","18:00:00",""
"4125437","7.8306","0.0011","5.4318","0.0007","20.139","0.003","90","","98.442","0.006","90","","847.3","0.2","100","","100","","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C18 H18 F2 O3 S2 -","- C18 H18 F2 O3 S2 -","- C36 H36 F4 O6 S4 -","2","1","","Lopchuk, Justin M.; Fjelbye, Kasper; Kawamata, Yu; Malins, Lara R.; Pan, Chung-Mao; Gianatassio, Ryan; Wang, Jie; Prieto, Liher; Bradow, James; Brandt, Thomas A.; Collins, Michael R.; Elleraas, Jeff; Ewanicki, Jason; Farrell, William; Fadeyi, Olugbeminiyi O.; Gallego, Gary M.; Mousseau, James J.; Oliver, Robert; Sach, Neal W.; Smith, Jason K.; Spangler, Jillian E.; Zhu, Huichin; Zhu, Jinjiang; Baran, Phil S.","Strain-Release Heteroatom Functionalization: Development, Scope, and Stereospecificity.","Journal of the American Chemical Society","2017","139","8","3209","3226","10.1021/jacs.6b13229","","x-ray","1.54184","CuKα","","0.0272","0.0269","","","0.0673","0.0675","","","","","","1.055","","","","has coordinates","193491","2020-10-21","18:00:00",""
"4125438","6.7965","0.0003","11.0812","0.0005","13.9075","0.0005","90","","90","","90","","1047.42","0.08","100","","100","","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C11 H10 F2 O2 S -","- C11 H10 F2 O2 S -","- C44 H40 F8 O8 S4 -","4","1","","Lopchuk, Justin M.; Fjelbye, Kasper; Kawamata, Yu; Malins, Lara R.; Pan, Chung-Mao; Gianatassio, Ryan; Wang, Jie; Prieto, Liher; Bradow, James; Brandt, Thomas A.; Collins, Michael R.; Elleraas, Jeff; Ewanicki, Jason; Farrell, William; Fadeyi, Olugbeminiyi O.; Gallego, Gary M.; Mousseau, James J.; Oliver, Robert; Sach, Neal W.; Smith, Jason K.; Spangler, Jillian E.; Zhu, Huichin; Zhu, Jinjiang; Baran, Phil S.","Strain-Release Heteroatom Functionalization: Development, Scope, and Stereospecificity.","Journal of the American Chemical Society","2017","139","8","3209","3226","10.1021/jacs.6b13229","","x-ray","0.71073","MoKα","","0.0319","0.0307","","","0.0797","0.0814","","","","","","1.028","","","","has coordinates","193491","2020-10-21","18:00:00",""
"4125439","10.9261","0.0007","5.0669","0.0003","14.3346","0.0009","90","","107.161","0.002","90","","758.25","0.08","296","2","296.15","","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C15 H15 F3 N2 O2 S -","- C15 H15 F3 N2 O2 S -","- C30 H30 F6 N4 O4 S2 -","2","1","","Lopchuk, Justin M.; Fjelbye, Kasper; Kawamata, Yu; Malins, Lara R.; Pan, Chung-Mao; Gianatassio, Ryan; Wang, Jie; Prieto, Liher; Bradow, James; Brandt, Thomas A.; Collins, Michael R.; Elleraas, Jeff; Ewanicki, Jason; Farrell, William; Fadeyi, Olugbeminiyi O.; Gallego, Gary M.; Mousseau, James J.; Oliver, Robert; Sach, Neal W.; Smith, Jason K.; Spangler, Jillian E.; Zhu, Huichin; Zhu, Jinjiang; Baran, Phil S.","Strain-Release Heteroatom Functionalization: Development, Scope, and Stereospecificity.","Journal of the American Chemical Society","2017","139","8","3209","3226","10.1021/jacs.6b13229","","x-ray","0.71073","MoKα","","0.0302","0.0278","","","0.0649","0.0664","","","","","","1.049","","","","has coordinates","193491","2020-10-21","18:00:00",""
"4125440","9.5529","0.0003","5.9734","0.0002","35.8785","0.0011","90","","90.348","0.002","90","","2047.31","0.11","100","","100","","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C22 H26 F2 N2 O2 S -","- C22 H26 F2 N2 O2 S -","- C88 H104 F8 N8 O8 S4 -","4","2","","Lopchuk, Justin M.; Fjelbye, Kasper; Kawamata, Yu; Malins, Lara R.; Pan, Chung-Mao; Gianatassio, Ryan; Wang, Jie; Prieto, Liher; Bradow, James; Brandt, Thomas A.; Collins, Michael R.; Elleraas, Jeff; Ewanicki, Jason; Farrell, William; Fadeyi, Olugbeminiyi O.; Gallego, Gary M.; Mousseau, James J.; Oliver, Robert; Sach, Neal W.; Smith, Jason K.; Spangler, Jillian E.; Zhu, Huichin; Zhu, Jinjiang; Baran, Phil S.","Strain-Release Heteroatom Functionalization: Development, Scope, and Stereospecificity.","Journal of the American Chemical Society","2017","139","8","3209","3226","10.1021/jacs.6b13229","","x-ray","1.54178","CuKα","","0.0579","0.046","","","0.1033","0.1088","","","","","","1.028","","","","has coordinates","193491","2020-10-21","18:00:00",""
"4125441","12.86","0.004","12.175","0.004","18.825","0.007","90","","107.91","0.02","90","","2804.6","1.7","101","2","101","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C31 H44 B N2 -","- C31 H44 B N2 -","- C124 H176 B4 N8 -","4","1","","Braunschweig, Holger; Krummenacher, Ivo; Légaré, Marc-André; Matler, Alexander; Radacki, Krzysztof; Ye, Qing","Main-Group Metallomimetics: Transition Metal-like Photolytic CO Substitution at Boron.","Journal of the American Chemical Society","2017","139","5","1802","1805","10.1021/jacs.6b13047","","","0.71073","MoKα","","0.0971","0.0551","","","0.1277","0.1553","","","","","","1.027","","","","has coordinates","193492","2020-10-21","18:00:00",""
"4125442","9.154","0.004","9.287","0.004","18.066","0.007","101.655","0.009","90.463","0.008","114.635","0.009","1359.9","1","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","","","- C31 H44 B N O -","- C31 H44 B N O -","- C62 H88 B2 N2 O2 -","2","1","","Braunschweig, Holger; Krummenacher, Ivo; Légaré, Marc-André; Matler, Alexander; Radacki, Krzysztof; Ye, Qing","Main-Group Metallomimetics: Transition Metal-like Photolytic CO Substitution at Boron.","Journal of the American Chemical Society","2017","139","5","1802","1805","10.1021/jacs.6b13047","","","0.71073","MoKα","","0.0515","0.0425","","","0.1063","0.1128","","","","","","1.079","","","","has coordinates","193492","2020-10-21","18:00:00",""
"4125443","10.421","0.002","19.936","0.006","14.992","0.005","90","","92.682","0.015","90","","3111.2","1.5","100","2","100","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C35 H52 B N3 -","- C35 H52 B N3 -","- C140 H208 B4 N12 -","4","1","","Braunschweig, Holger; Krummenacher, Ivo; Légaré, Marc-André; Matler, Alexander; Radacki, Krzysztof; Ye, Qing","Main-Group Metallomimetics: Transition Metal-like Photolytic CO Substitution at Boron.","Journal of the American Chemical Society","2017","139","5","1802","1805","10.1021/jacs.6b13047","","","0.71073","MoKα","","0.0472","0.0402","","","0.103","0.1096","","","","","","1.026","","","","has coordinates","193492","2020-10-21","18:00:00",""
"4125444","9.803","0.007","10.599","0.006","14.676","0.01","82.401","0.015","88.02","0.02","85.37","0.02","1506.1","1.7","100","2","100","2","","","","","","","","4","P -1","-P 1","2","","","","- C35 H49 B N2 -","- C35 H49 B N2 -","- C70 H98 B2 N4 -","2","1","","Braunschweig, Holger; Krummenacher, Ivo; Légaré, Marc-André; Matler, Alexander; Radacki, Krzysztof; Ye, Qing","Main-Group Metallomimetics: Transition Metal-like Photolytic CO Substitution at Boron.","Journal of the American Chemical Society","2017","139","5","1802","1805","10.1021/jacs.6b13047","","","0.71073","MoKα","","0.0842","0.0506","","","0.1101","0.1244","","","","","","1.025","","","","has coordinates","193492","2020-10-21","18:00:00",""
"4125445","17.216","0.006","9.185","0.003","17.525","0.006","90","","110.02","0.02","90","","2603.8","1.6","119","2","119","2","","","","","","","","4","P 1 2/c 1","-P 2yc","13","","","","- C30 H44 B N -","- C30 H44 B N -","- C120 H176 B4 N4 -","4","1","","Braunschweig, Holger; Krummenacher, Ivo; Légaré, Marc-André; Matler, Alexander; Radacki, Krzysztof; Ye, Qing","Main-Group Metallomimetics: Transition Metal-like Photolytic CO Substitution at Boron.","Journal of the American Chemical Society","2017","139","5","1802","1805","10.1021/jacs.6b13047","","","0.71073","MoKα","","0.0691","0.0478","","","0.1124","0.1223","","","","","","1.024","","","","has coordinates,has disorder","193492","2020-10-21","18:00:00",""
"4125446","41.0408","0.0002","41.0408","0.0002","41.0408","0.0002","90","","90","","90","","69127","0.6","150","2","150","2","","","","","","","","5","F m -3 m","-F 4 2 3","225","","","","- C48 H32 Cl2 Fe6 O30 -","- C48 H32.0016 Cl1.9998 Fe6 O30.0002 -","- C768 H512.026 Cl31.9968 Fe96 O480.003 -","16","0.0833333","","Shen, Jian-Qiang; Liao, Pei-Qin; Zhou, Dong-Dong; He, Chun-Ting; Wu, Jun-Xi; Zhang, Wei-Xiong; Zhang, Jie-Peng; Chen, Xiao-Ming","Modular and Stepwise Synthesis of a Hybrid Metal-Organic Framework for Efficient Electrocatalytic Oxygen Evolution.","Journal of the American Chemical Society","2017","139","5","1778","1781","10.1021/jacs.6b12353","","","1.54178","CuKα","","0.0792","0.0676","","","0.2057","0.2198","","","","","","1.085","","","","has coordinates,has disorder","193493","2020-10-21","18:00:00",""
"4125447","41.5406","0.0002","41.5406","0.0002","41.5406","0.0002","90","","90","","90","","71683.4","0.6","150","2","150","2","","","","","","","","6","F m -3 m","-F 4 2 3","225","","","","- C84 H52 Co3 Fe6 N6 O41 -","- C84 H51.9984 Co3 Fe6 N6 O41.0001 -","- C1344 H831.974 Co48 Fe96 N96 O656.002 -","16","0.0833333","","Shen, Jian-Qiang; Liao, Pei-Qin; Zhou, Dong-Dong; He, Chun-Ting; Wu, Jun-Xi; Zhang, Wei-Xiong; Zhang, Jie-Peng; Chen, Xiao-Ming","Modular and Stepwise Synthesis of a Hybrid Metal-Organic Framework for Efficient Electrocatalytic Oxygen Evolution.","Journal of the American Chemical Society","2017","139","5","1778","1781","10.1021/jacs.6b12353","","","1.54178","CuKα","","0.0521","0.047","","","0.1499","0.1545","","","","","","1.08","","","","has coordinates,has disorder","193493","2020-10-21","18:00:00",""
"4125448","41.5308","0.0002","41.5308","0.0002","41.5308","0.0002","90","","90","","90","","71632.6","0.6","150","2","150","2","","","","","","","","5","F m -3 m","-F 4 2 3","225","","","","- C84 H56 Co9 N6 O41 -","- C84 H56 Co9 N6 O41 -","- C1344 H896 Co144 N96 O656 -","16","0.0833333","","Shen, Jian-Qiang; Liao, Pei-Qin; Zhou, Dong-Dong; He, Chun-Ting; Wu, Jun-Xi; Zhang, Wei-Xiong; Zhang, Jie-Peng; Chen, Xiao-Ming","Modular and Stepwise Synthesis of a Hybrid Metal-Organic Framework for Efficient Electrocatalytic Oxygen Evolution.","Journal of the American Chemical Society","2017","139","5","1778","1781","10.1021/jacs.6b12353","","","1.54178","CuKα","","0.0673","0.0627","","","0.1965","0.201","","","","","","1.083","","","","has coordinates","193493","2020-10-21","18:00:00",""
"4125449","12.5748","0.0009","5.6465","0.0004","21.2806","0.0016","90","","97.453","0.004","90","","1498.23","0.19","296","2","296","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C30 H24 Br3 N O9 -","- C30 H24 Br3 N O9 -","- C60 H48 Br6 N2 O18 -","2","1","","Sanhueza, Carlos A.; Baksh, Michael M.; Thuma, Benjamin; Roy, Marc D.; Dutta, Sanjay; Préville, Cathy; Chrunyk, Boris A.; Beaumont, Kevin; Dullea, Robert; Ammirati, Mark; Liu, Shenping; Gebhard, David; Finley, James E.; Salatto, Christopher T.; King-Ahmad, Amanda; Stock, Ingrid; Atkinson, Karen; Reidich, Benjamin; Lin, Wen; Kumar, Rajesh; Tu, Meihua; Menhaji-Klotz, Elnaz; Price, David A.; Liras, Spiros; Finn, M. G.; Mascitti, Vincent","Efficient Liver Targeting by Polyvalent Display of a Compact Ligand for the Asialoglycoprotein Receptor.","Journal of the American Chemical Society","2017","139","9","3528","3536","10.1021/jacs.6b12964","","","1.54178","CuKα","","0.0589","0.0563","","","0.1658","0.1701","","","","","","1.031","","","","has coordinates","258458","2020-10-21","18:00:00",""
"4125450","9.157","0.0003","9.4895","0.0003","20.4389","0.0006","93.5118","0.0009","100.858","0.0009","97.4709","0.001","1722.72","0.09","100","2","100","2","","","","","","","","6","P 1","P 1","1","","","","- C32 H35 Cl6 N3 O6 S -","- C32 H35 Cl6 N3 O6 S -","- C64 H70 Cl12 N6 O12 S2 -","2","2","","Maestre, Lourdes; Dorel, Ruth; Pablo, Óscar; Escofet, Imma; Sameera, W. M. C.; Álvarez, Eleuterio; Maseras, Feliu; Díaz-Requejo, M Mar; Echavarren, Antonio M.; Pérez, Pedro J","Functional-Group-Tolerant, Silver-Catalyzed N-N Bond Formation by Nitrene Transfer to Amines.","Journal of the American Chemical Society","2017","139","6","2216","2223","10.1021/jacs.6b08219","","","0.71073","MoKα","","0.0403","0.0353","","","0.0909","0.1049","","","","","","1.086","","","","has coordinates,has disorder","193508","2020-10-21","18:00:00",""
"4125451","14.3182","0.0013","7.3622","0.0007","15.3001","0.0013","90","","91.8438","0.0018","90","","1612","0.3","100","2","100","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C16 H24 N2 O3 S -","- C16 H24 N2 O3 S -","- C64 H96 N8 O12 S4 -","4","1","","Maestre, Lourdes; Dorel, Ruth; Pablo, Óscar; Escofet, Imma; Sameera, W. M. C.; Álvarez, Eleuterio; Maseras, Feliu; Díaz-Requejo, M Mar; Echavarren, Antonio M.; Pérez, Pedro J","Functional-Group-Tolerant, Silver-Catalyzed N-N Bond Formation by Nitrene Transfer to Amines.","Journal of the American Chemical Society","2017","139","6","2216","2223","10.1021/jacs.6b08219","","","0.7107","MoKα","","0.0415","0.0313","","","0.0936","0.104","","","","","","1.137","","","","has coordinates","193508","2020-10-21","18:00:00",""
"4125452","10.6749","0.0006","8.3751","0.0005","23.18","0.0013","90","","100.208","0.002","90","","2039.6","0.2","150","","150","","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C23 H29 B O3 -","- C23 H29 B O3 -","- C92 H116 B4 O12 -","4","1","","Benoit, Guillaume; Charette, André B","Diastereoselective Borocyclopropanation of Allylic Ethers Using a Boromethylzinc Carbenoid.","Journal of the American Chemical Society","2017","139","4","1364","1367","10.1021/jacs.6b09090","","x-ray","1.54178","CuKα","","0.0342","0.0323","","","0.0828","0.0844","","","","","","1.052","","","","has coordinates","193498","2020-10-21","18:00:00",""
"4125453","10.4158","0.0003","12.3181","0.0004","20.3632","0.0007","90","","90","","90","","2612.66","0.14","173","2","173","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C32 H27 Br O6 -","- C32 H27 Br O6 -","- C128 H108 Br4 O24 -","4","1","","Zhao, Guoqing; Xu, Guangqing; Qian, Chao; Tang, Wenjun","Efficient Enantioselective Syntheses of (+)-Dalesconol A and B.","Journal of the American Chemical Society","2017","139","9","3360","3363","10.1021/jacs.7b00783","","","1.54178","CuKα","","0.0628","0.0408","","","0.0871","0.0966","","","","","","1.022","","","","has coordinates","194836","2020-10-21","18:00:00",""
"4125454","12.043","0.005","14.846","0.006","15.764","0.007","71.267","0.007","78.309","0.007","78.41","0.007","2585.6","1.9","173","2","173","2","","","","","","","","7","P -1","-P 1","2","","","","- C45 H55 F6 N5 O15 Rh2 S2 -","- C45 H55 F6 N5 O15 Rh2 S2 -","- C90 H110 F12 N10 O30 Rh4 S4 -","2","1","","Zhang, Long; Lin, Lin; Liu, Dong; Lin, Yue-Jian; Li, Zhen-Hua; Jin, Guo-Xin","Stacking Interactions Induced Selective Conformation of Discrete Aromatic Arrays and Borromean Rings.","Journal of the American Chemical Society","2017","139","4","1653","1660","10.1021/jacs.6b11968","","","0.71073","MoKα","","0.1626","0.1094","","","0.2769","0.3513","","","","","","1.211","","","","has coordinates","193499","2020-10-21","18:00:00",""
"4125455","15.5584","0.0017","25.541","0.003","25.687","0.003","90","","107.332","0.002","90","","9744","1.9","173","2","173","2","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C84 H92 F12 N8 O28 Rh4 S4 -","- C81 H76 F12 N8 O25 Rh4 S4 -","- C324 H304 F48 N32 O100 Rh16 S16 -","4","1","","Zhang, Long; Lin, Lin; Liu, Dong; Lin, Yue-Jian; Li, Zhen-Hua; Jin, Guo-Xin","Stacking Interactions Induced Selective Conformation of Discrete Aromatic Arrays and Borromean Rings.","Journal of the American Chemical Society","2017","139","4","1653","1660","10.1021/jacs.6b11968","","","0.71073","MoKα","","0.1365","0.0832","","","0.2396","0.2717","","","","","","1.023","","","","has coordinates,has disorder","193499","2020-10-21","18:00:00",""
"4125456","14.412","0.002","20.181","0.004","21.21","0.004","92.724","0.003","95.238","0.003","95.152","0.003","6108.7","1.9","173","2","173","2","","","","","","","","7","P -1","-P 1","2","","","","- C94 H92 F12 N8 O26 Rh4 S4 -","- C91 H84 F6 N8 O19 Rh4 S2 -","- C182 H168 F12 N16 O38 Rh8 S4 -","2","1","","Zhang, Long; Lin, Lin; Liu, Dong; Lin, Yue-Jian; Li, Zhen-Hua; Jin, Guo-Xin","Stacking Interactions Induced Selective Conformation of Discrete Aromatic Arrays and Borromean Rings.","Journal of the American Chemical Society","2017","139","4","1653","1660","10.1021/jacs.6b11968","","","0.71073","MoKα","","0.1486","0.0902","","","0.2383","0.2692","","","","","","0.929","","","","has coordinates","193499","2020-10-21","18:00:00",""
"4125457","16.0557","0.0014","35.685","0.003","21.5588","0.0018","90","","109.033","0.001","90","","11676.8","1.7","173","2","173","2","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C105 H111 F12 N8 O30 Rh4 S4 -","- C102 H89 F12 N8 O26 Rh4 S4 -","- C408 H356 F48 N32 O104 Rh16 S16 -","4","1","","Zhang, Long; Lin, Lin; Liu, Dong; Lin, Yue-Jian; Li, Zhen-Hua; Jin, Guo-Xin","Stacking Interactions Induced Selective Conformation of Discrete Aromatic Arrays and Borromean Rings.","Journal of the American Chemical Society","2017","139","4","1653","1660","10.1021/jacs.6b11968","","","0.71073","MoKα","","0.0918","0.0663","","","0.1786","0.1921","","","","","","1.042","","","","has coordinates,has disorder","193499","2020-10-21","18:00:00",""
"4125458","40.736","0.003","14.9836","0.0011","24.2513","0.0018","90","","117.182","0.001","90","","13167.5","1.7","173","2","173","2","","","","","","","","7","C 1 2/c 1","-C 2yc","15","","","","- C108 H118 F12 N8 O27 Rh4 S4 -","- C104 H108 F12 N8 O26 Rh4 S4 -","- C416 H432 F48 N32 O104 Rh16 S16 -","4","0.5","","Zhang, Long; Lin, Lin; Liu, Dong; Lin, Yue-Jian; Li, Zhen-Hua; Jin, Guo-Xin","Stacking Interactions Induced Selective Conformation of Discrete Aromatic Arrays and Borromean Rings.","Journal of the American Chemical Society","2017","139","4","1653","1660","10.1021/jacs.6b11968","","","0.71073","MoKα","","0.0816","0.0526","","","0.1469","0.1608","","","","","","0.957","","","","has coordinates","193499","2020-10-21","18:00:00",""
"4125459","23.8258","0.0009","27.4343","0.001","40.6296","0.0016","93.922","0.002","104.442","0.002","111.411","0.002","23565.8","1.6","173","2","173","","","","","","","","","7","P -1","-P 1","2","","","","- C120.33 H147.33 F12 N12 O41.33 Rh4 S4 -","- C111.333 H110 F5 N12 O25.6667 Rh4 S1.66667 -","- C668 H660 F30 N72 O154 Rh24 S10 -","6","3","","Zhang, Long; Lin, Lin; Liu, Dong; Lin, Yue-Jian; Li, Zhen-Hua; Jin, Guo-Xin","Stacking Interactions Induced Selective Conformation of Discrete Aromatic Arrays and Borromean Rings.","Journal of the American Chemical Society","2017","139","4","1653","1660","10.1021/jacs.6b11968","","","1.54178","CuKα","","0.1647","0.131","","","0.3683","0.4091","","","","","","1.488","","","","has coordinates,has disorder","193499","2020-10-21","18:00:00",""
"4125460","20.056","0.003","20.982","0.003","20.994","0.003","67.29","0.002","69.595","0.002","64.503","0.002","7177.1","1.8","173","2","173","2","","","","","","","","7","P -1","-P 1","2","","","","- C145 H143 F12 N8 O32 Ru4 S4 -","- C138 H109 F9 N8 O25 Ru4 S3 -","- C276 H218 F18 N16 O50 Ru8 S6 -","2","1","","Zhang, Long; Lin, Lin; Liu, Dong; Lin, Yue-Jian; Li, Zhen-Hua; Jin, Guo-Xin","Stacking Interactions Induced Selective Conformation of Discrete Aromatic Arrays and Borromean Rings.","Journal of the American Chemical Society","2017","139","4","1653","1660","10.1021/jacs.6b11968","","","0.71073","MoKα","","0.1846","0.1064","","","0.288","0.3474","","","","","","1.045","","","","has coordinates,has disorder","193499","2020-10-21","18:00:00",""
"4125461","27.5131","0.0009","16.0386","0.0005","34.0114","0.0011","90","","112.28","0.001","90","","13887.8","0.8","173","2","173","2","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C116 H144 F12 N8 O38 Rh4 S4 -","- C105 H96 F9 N8 O23 Rh4 S3 -","- C420 H384 F36 N32 O92 Rh16 S12 -","4","1","","Zhang, Long; Lin, Lin; Liu, Dong; Lin, Yue-Jian; Li, Zhen-Hua; Jin, Guo-Xin","Stacking Interactions Induced Selective Conformation of Discrete Aromatic Arrays and Borromean Rings.","Journal of the American Chemical Society","2017","139","4","1653","1660","10.1021/jacs.6b11968","","","1.54178","CuKα","","0.0818","0.0705","","","0.2045","0.2152","","","","","","1.082","","","","has coordinates,has disorder","193499","2020-10-21","18:00:00",""
"4125462","19.3696","0.0002","15.3999","0.0001","24.2089","0.0002","90","","94.022","0.001","90","","7203.49","0.11","120","2","120","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C48 H67 Br N25 O12 -","- C48 H67 Br N25 O12 -","- C192 H268 Br4 N100 O48 -","4","1","","Fiala, Tomas; Ludvíková, Lucie; Heger, Dominik; Švec, Jan; Slanina, Tomáš; Vetráková, L'ubica; Babiak, Michal; Nečas, Marek; Kulhánek, Petr; Klán, Petr; Sindelar, Vladimir","Bambusuril as a One-Electron Donor for Photoinduced Electron Transfer to Methyl Viologen in Mixed Crystals.","Journal of the American Chemical Society","2017","139","7","2597","2603","10.1021/jacs.6b08589","","","0.71073","MoKα","","0.0584","0.0548","","","0.1541","0.1574","","","","","","1.042","","","","has coordinates","193514","2020-10-21","18:00:00",""
"4125463","10.1842","0.001","22.035","0.002","6.8426","0.0006","90","","99.143","0.003","90","","1516","0.2","100","2","100","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C17 H23 N O2 -","- C17 H23 N O2 -","- C68 H92 N4 O8 -","4","1","","Petrone, David A.; Franzoni, Ivan; Ye, Juntao; Rodríguez, José F; Poblador-Bahamonde, Amalia I; Lautens, Mark","Palladium-Catalyzed Hydrohalogenation of 1,6-Enynes: Hydrogen Halide Salts and Alkyl Halides as Convenient HX Surrogates.","Journal of the American Chemical Society","2017","139","9","3546","3557","10.1021/jacs.7b00482","","","0.71073","MoKα","","0.0596","0.0388","","","0.0842","0.0952","","","","","","1.027","","","","has coordinates","194837","2020-10-21","18:00:00",""
"4125464","6.4581","0.001","20.914","0.003","12.284","0.002","90","","95.867","0.005","90","","1650.4","0.4","147","2","147","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C17 H22 Br N O2 -","- C17 H22 Br N O2 -","- C68 H88 Br4 N4 O8 -","4","1","","Petrone, David A.; Franzoni, Ivan; Ye, Juntao; Rodríguez, José F; Poblador-Bahamonde, Amalia I; Lautens, Mark","Palladium-Catalyzed Hydrohalogenation of 1,6-Enynes: Hydrogen Halide Salts and Alkyl Halides as Convenient HX Surrogates.","Journal of the American Chemical Society","2017","139","9","3546","3557","10.1021/jacs.7b00482","","","0.71073","MoKα","","0.0351","0.0239","","","0.0514","0.0546","","","","","","1.034","","","","has coordinates,has disorder","194837","2020-10-21","18:00:00",""
"4125465","9.6103","0.0007","9.9716","0.0007","10.1536","0.0008","75.6","0.002","84.472","0.002","64.298","0.002","849.13","0.11","147","2","147","2","","","","","","","","5","P -1","-P 1","2","","","","- C17 H22 I N O2 -","- C17 H22 I N O2 -","- C34 H44 I2 N2 O4 -","2","1","","Petrone, David A.; Franzoni, Ivan; Ye, Juntao; Rodríguez, José F; Poblador-Bahamonde, Amalia I; Lautens, Mark","Palladium-Catalyzed Hydrohalogenation of 1,6-Enynes: Hydrogen Halide Salts and Alkyl Halides as Convenient HX Surrogates.","Journal of the American Chemical Society","2017","139","9","3546","3557","10.1021/jacs.7b00482","","","0.71073","MoKα","","0.0293","0.0259","","","0.0567","0.0592","","","","","","1.166","","","","has coordinates,has disorder","194837","2020-10-21","18:00:00",""
"4125466","13.1536","0.0009","13.9867","0.0009","19.6553","0.0011","103.578","0.0018","107.187","0.0019","95.011","0.002","3309.9","0.4","100","","100","","","","","","","","","8","P -1","-P 1","2","","","","- C65.5 H60 B F24 Mo N3 O P2 -","- C65.5 H60 B F24 Mo N3 O P2 -","- C131 H120 B2 F48 Mo2 N6 O2 P4 -","2","1","","Bhattacharya, Papri; Heiden, Zachariah M.; Wiedner, Eric S.; Raugei, Simone; Piro, Nicholas A.; Kassel, W. Scott; Bullock, R. Morris; Mock, Michael T.","Ammonia Oxidation by Abstraction of Three Hydrogen Atoms from a Mo-NH3 Complex.","Journal of the American Chemical Society","2017","139","8","2916","2919","10.1021/jacs.7b00002","","","0.71073","MoKα","","0.0713","0.0436","","","0.0915","0.1026","","","","","","1.004","","","","has coordinates,has disorder","193476","2020-10-21","18:00:00",""
"4125467","18.6539","0.0004","20.3751","0.0004","20.911","0.0004","90","","90","","90","","7947.7","0.3","100","","100","","","","","","","","","8","P 21 21 21","P 2ac 2ab","19","","","","- C79 H82 B F24 Mo N3 O P2 -","- C79 H82 B F24 Mo N3 O P2 -","- C316 H328 B4 F96 Mo4 N12 O4 P8 -","4","1","","Bhattacharya, Papri; Heiden, Zachariah M.; Wiedner, Eric S.; Raugei, Simone; Piro, Nicholas A.; Kassel, W. Scott; Bullock, R. Morris; Mock, Michael T.","Ammonia Oxidation by Abstraction of Three Hydrogen Atoms from a Mo-NH3 Complex.","Journal of the American Chemical Society","2017","139","8","2916","2919","10.1021/jacs.7b00002","","","0.71073","MoKα","","0.0539","0.0446","","","0.1071","0.1127","","","","","","1.046","","","","has coordinates,has disorder","193476","2020-10-21","18:00:00",""
"4125468","14.0198","0.0009","12.6245","0.0008","29.5965","0.0019","90","","92.0068","0.0009","90","","5235.2","0.6","133","2","133","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C62 H81 B O2 Th -","- C58 H73 B O Th -","- C232 H292 B4 O4 Th4 -","4","1","","Langeslay, Ryan R.; Chen, Guo P.; Windorff, Cory J.; Chan, Alan K.; Ziller, Joseph W.; Furche, Filipp; Evans, William J.","Synthesis, Structure, and Reactivity of the Sterically Crowded Th(3+) Complex (C5Me5)3Th Including Formation of the Thorium Carbonyl, [(C5Me5)3Th(CO)][BPh4].","Journal of the American Chemical Society","2017","139","9","3387","3398","10.1021/jacs.6b10826","","","0.71073","MoKα","","0.0356","0.0254","","","0.0546","0.0576","","","","","","1.039","","","","has coordinates","194838","2020-10-21","18:00:00",""
"4125469","10.017","0.002","10.017","0.002","15.418","0.003","90","","90","","120","","1339.8","0.5","88","2","88","2","","","","","","","","3","P 63/m","-P 6c","176","","","","- C30 H45 Th -","- C30 H45 Th -","- C60 H90 Th2 -","2","0.166667","","Langeslay, Ryan R.; Chen, Guo P.; Windorff, Cory J.; Chan, Alan K.; Ziller, Joseph W.; Furche, Filipp; Evans, William J.","Synthesis, Structure, and Reactivity of the Sterically Crowded Th(3+) Complex (C5Me5)3Th Including Formation of the Thorium Carbonyl, [(C5Me5)3Th(CO)][BPh4].","Journal of the American Chemical Society","2017","139","9","3387","3398","10.1021/jacs.6b10826","","","0.71073","MoKα","","0.0146","0.013","","","0.0328","0.0333","","","","","","1.117","","","","has coordinates","194838","2020-10-21","18:00:00",""
"4125470","10.0524","0.0009","10.0524","0.0009","15.4433","0.0015","90","","90","","120","","1351.5","0.2","143","2","143","2","","","","","","","","3","P 63/m","-P 6c","176","","","","- C31 H48 Th -","- C31 H48.0006 Th -","- C62 H96.0012 Th2 -","2","0.166667","","Langeslay, Ryan R.; Chen, Guo P.; Windorff, Cory J.; Chan, Alan K.; Ziller, Joseph W.; Furche, Filipp; Evans, William J.","Synthesis, Structure, and Reactivity of the Sterically Crowded Th(3+) Complex (C5Me5)3Th Including Formation of the Thorium Carbonyl, [(C5Me5)3Th(CO)][BPh4].","Journal of the American Chemical Society","2017","139","9","3387","3398","10.1021/jacs.6b10826","","","0.71073","MoKα","","0.0469","0.0333","","","0.069","0.084","","","","","","1.178","","","","has coordinates","194838","2020-10-21","18:00:00",""
"4125471","13.96917","0.0001","7.51073","0.00005","14.95331","0.0001","90","","90","","90","","1568.88","0.019","85","2","85","2","","","","","","","","4","P c a 21","P 2c -2ac","29","","","","- C20 H18 N O -","- C20 H18 N O -","- C80 H72 N4 O4 -","4","1","","Sevov, Christo S.; Hickey, David P.; Cook, Monique E.; Robinson, Sophia G.; Barnett, Shoshanna; Minteer, Shelley D.; Sigman, Matthew S.; Sanford, Melanie S.","Physical Organic Approach to Persistent, Cyclable, Low-Potential Electrolytes for Flow Battery Applications.","Journal of the American Chemical Society","2017","139","8","2924","2927","10.1021/jacs.7b00147","","","1.54184","CuKα","","0.0361","0.0357","","","0.0917","0.0923","","","","","","1.09","","","","has coordinates","193477","2020-10-21","18:00:00",""
"4125472","12.86","0.0007","13.2615","0.0007","22.4444","0.0012","92.528","0.003","94.167","0.003","108.759","0.003","3605.6","0.3","100","","99.96","","","","","","","","","6","P -1","-P 1","2","","","","- C69.97 H60 O2 P2 S16 V -","- C70 H60 O2 P2 S16 V -","- C140 H120 O4 P4 S32 V2 -","2","1","","Graham, Michael J.; Yu, Chung-Jui; Krzyaniak, Matthew D.; Wasielewski, Michael R.; Freedman, Danna E.","Synthetic Approach To Determine the Effect of Nuclear Spin Distance on Electronic Spin Decoherence.","Journal of the American Chemical Society","2017","139","8","3196","3201","10.1021/jacs.6b13030","","","0.71073","MoKα","","0.0757","0.0588","","","0.1341","0.1451","","","","","","1.061","","","","has coordinates,has disorder","193478","2020-10-21","18:00:00",""
"4125473","11.0523","0.0006","15.3821","0.0009","27.7478","0.0016","90","","91.969","0.003","90","","4714.6","0.5","296","2","296.15","","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C54 H52 O P2 S4 V -","- C54 H52 O P2 S4 V -","- C216 H208 O4 P8 S16 V4 -","4","2","","Graham, Michael J.; Yu, Chung-Jui; Krzyaniak, Matthew D.; Wasielewski, Michael R.; Freedman, Danna E.","Synthetic Approach To Determine the Effect of Nuclear Spin Distance on Electronic Spin Decoherence.","Journal of the American Chemical Society","2017","139","8","3196","3201","10.1021/jacs.6b13030","","","0.71073","MoKα","","0.033","0.0299","","","0.0698","0.0714","","","","","","1.027","","","","has coordinates","193478","2020-10-21","18:00:00",""
"4125474","10.663","0.006","12.686","0.007","22.853","0.013","103.838","0.01","98.039","0.011","98.816","0.011","2916","3","100","","99.93","","","","","","","","","7","P -1","-P 1","2","","","","- C62 H58.49 N2 O P2 S8 V -","- C62 H58 N2 O P2 S8 V -","- C124 H116 N4 O2 P4 S16 V2 -","2","1","","Graham, Michael J.; Yu, Chung-Jui; Krzyaniak, Matthew D.; Wasielewski, Michael R.; Freedman, Danna E.","Synthetic Approach To Determine the Effect of Nuclear Spin Distance on Electronic Spin Decoherence.","Journal of the American Chemical Society","2017","139","8","3196","3201","10.1021/jacs.6b13030","","","0.71073","MoKα","","0.0629","0.0481","","","0.1177","0.1276","","","","","","1.044","","","","has coordinates,has disorder","193478","2020-10-21","18:00:00",""
"4125475","7.5565","0.0003","16.3552","0.0004","17.6239","0.0006","90","","90","","90","","2178.1","0.13","100","2","100","2","","","","","","","","3","P b c a","-P 2ac 2ab","61","","","","- C14 H12 O2 -","- C14 H12 O2 -","- C112 H96 O16 -","8","1","","Sagadevan, Arunachalam; Charpe, Vaibhav Pramod; Ragupathi, Ayyakkannu; Hwang, Kuo Chu","Visible Light Copper Photoredox-Catalyzed Aerobic Oxidative Coupling of Phenols and Terminal Alkynes: Regioselective Synthesis of Functionalized Ketones via C≡C Triple Bond Cleavage.","Journal of the American Chemical Society","2017","139","8","2896","2899","10.1021/jacs.6b13113","","","0.71073","MoKα","","0.049","0.0381","","","0.0975","0.1042","","","","","","1.083","","","","has coordinates","193479","2020-10-21","18:00:00",""
"4125476","32.039","0.006","8.102","0.0014","10.3858","0.0018","90","","101.971","0.003","90","","2637.3","0.8","100","2","100","2","","","","","","","","5","C 1 2 1","C 2y","5","","","","- C27 H36 Br N3 O6 -","- C27 H36 Br N3 O6 -","- C108 H144 Br4 N12 O24 -","4","1","","Liang, Xiao; Zhang, Tian-Yuan; Zeng, Xue-Yi; Zheng, Yu; Wei, Kun; Yang, Yu-Rong","Ir-Catalyzed Asymmetric Total Synthesis of (-)-Communesin F.","Journal of the American Chemical Society","2017","139","9","3364","3367","10.1021/jacs.7b00854","","","0.71073","MoKα","","0.051","0.0392","","","0.0888","0.0929","","","","","","0.989","","","","has coordinates,has disorder","194839","2020-10-21","18:00:00",""
"4125477","10.557","0.002","11.967","0.002","23.185","0.005","90","","90","","90","","2929.1","1","296","2","296","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C32 H33 Br N2 O4 S -","- C32 H33 Br N2 O4 S -","- C128 H132 Br4 N8 O16 S4 -","4","1","","Liang, Xiao; Zhang, Tian-Yuan; Zeng, Xue-Yi; Zheng, Yu; Wei, Kun; Yang, Yu-Rong","Ir-Catalyzed Asymmetric Total Synthesis of (-)-Communesin F.","Journal of the American Chemical Society","2017","139","9","3364","3367","10.1021/jacs.7b00854","","","0.71073","MoKα","","0.0595","0.0457","","","0.0762","0.0783","","","","","","1.307","","","","has coordinates","194839","2020-10-21","18:00:00",""
"4125478","8.0108","0.0003","16.3497","0.0005","36.6816","0.0012","90","","90.004","0.002","90","","4804.3","0.3","100","","100","","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C19.5 H33.5 N4 O3 S Si -","- C19.5 H33.5 N4 O3 S Si -","- C156 H268 N32 O24 S8 Si8 -","8","2","","Lo, Julian C.; Kim, Dongyoung; Pan, Chung-Mao; Edwards, Jacob T.; Yabe, Yuki; Gui, Jinghan; Qin, Tian; Gutiérrez, Sara; Giacoboni, Jessica; Smith, Myles W.; Holland, Patrick L.; Baran, Phil S.","Fe-Catalyzed C-C Bond Construction from Olefins via Radicals.","Journal of the American Chemical Society","2017","139","6","2484","2503","10.1021/jacs.6b13155","","x-ray","0.71073","MoKα","","0.0698","0.0549","","","0.1423","0.1513","","","","","","1.104","","","","has coordinates","193509","2020-10-21","18:00:00",""
"4125479","26.48","0.005","7.2231","0.0015","28.774","0.006","90","","110.34","0.03","90","","5160","2","100","2","100","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","1.3(H2O)","","","- C44 H32 Fe2 N24 O6 Pd2 -","- C44 H32 Fe2 N24 O6 Pd2 -","- C176 H128 Fe8 N96 O24 Pd8 -","4","1","","Murphy, Michael J.; Zenere, Katrina A.; Ragon, Florence; Southon, Peter D.; Kepert, Cameron J.; Neville, Suzanne M.","Guest Programmable Multistep Spin Crossover in a Porous 2-D Hofmann-Type Material.","Journal of the American Chemical Society","2017","139","3","1330","1335","10.1021/jacs.6b12465","","","1.5418","CuKα","","0.1491","0.1205","","","0.2524","0.2652","","","","","","1.174","","","","has coordinates","193521","2020-10-21","18:00:00",""
"4125480","26.5529","0.0014","7.2804","0.0005","28.9809","0.0013","90","","110.53","0.005","90","","5246.6","0.5","130","2","130","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","1.3(H2O)","","","- C22 H16 Fe N12 O3 Pd -","- C22 H16 Fe N12 O3 Pd -","- C176 H128 Fe8 N96 O24 Pd8 -","8","1","","Murphy, Michael J.; Zenere, Katrina A.; Ragon, Florence; Southon, Peter D.; Kepert, Cameron J.; Neville, Suzanne M.","Guest Programmable Multistep Spin Crossover in a Porous 2-D Hofmann-Type Material.","Journal of the American Chemical Society","2017","139","3","1330","1335","10.1021/jacs.6b12465","","","1.54184","CuKα","","0.092","0.0802","","","0.238","0.2554","","","","","","1.15","","","","has coordinates","193521","2020-10-21","18:00:00",""
"4125481","26.5335","0.0009","7.4453","0.0003","29.3511","0.0009","90","","110.036","0.005","90","","5447.4","0.4","200","2","200","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","1.(Et,H2O)","","","- C24 H16 Fe N12 O2 Pd -","- C24 H16 Fe N12 O2 Pd -","- C192 H128 Fe8 N96 O16 Pd8 -","8","1","","Murphy, Michael J.; Zenere, Katrina A.; Ragon, Florence; Southon, Peter D.; Kepert, Cameron J.; Neville, Suzanne M.","Guest Programmable Multistep Spin Crossover in a Porous 2-D Hofmann-Type Material.","Journal of the American Chemical Society","2017","139","3","1330","1335","10.1021/jacs.6b12465","","","0.71073","MoKα","","0.0869","0.0626","","","0.1669","0.1856","","","","","","1.06","","","","has coordinates,has disorder","193521","2020-10-21","18:00:00",""
"4125482","30.4451","0.0013","30.4451","0.0013","96.083","0.004","90","","90","","120","","77128","6","100","2","100.01","","","","","","","","","4","R -3","-R 3","148","","","","- C324 H216 N40 Ru6 -","- C324 H216 N40 Ru6 -","- C1944 H1296 N240 Ru36 -","6","","","Chakraborty, Sourav; Hong, Wei; Endres, Kevin J.; Xie, Ting-Zheng; Wojtas, Lukasz; Moorefield, Charles N.; Wesdemiotis, Chrys; Newkome, George R.","Terpyridine-Based, Flexible Tripods: From a Highly Symmetric Nanosphere to Temperature-Dependent, Irreversible, 3D Isomeric Macromolecular Nanocages.","Journal of the American Chemical Society","2017","139","8","3012","3020","10.1021/jacs.6b11784","","","1.54178","CuKα","","0.1896","0.136","","","0.4004","0.4491","","","","","","1.886","","","","has coordinates,has disorder","193480","2020-10-21","18:00:00",""
"4125483","13.2314","0.0004","8.5991","0.0003","29.3542","0.0008","90","","90.098","0.003","90","","3339.86","0.18","293","2","293","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C19 H20 N2 O2 -","- C19 H20 N2 O2 -","- C152 H160 N16 O16 -","8","2","","Shi, Jiarong; Xu, Hai; Qiu, Dachuan; He, Jia; Li, Yang","Selective Aryne Formation via Grob Fragmentation from the [2+2] Cycloadducts of 3-Triflyloxyarynes.","Journal of the American Chemical Society","2017","139","2","623","626","10.1021/jacs.6b12161","","","0.71073","MoKα","","0.0929","0.0615","","","0.1492","0.1692","","","","","","1.021","","","","has coordinates","193504","2020-10-21","18:00:00",""
"4125484","25.4957","0.0012","25.4957","0.0012","6.2727","0.0003","90","","90","","120","","3531.2","0.3","173","2","173","2","","","","","","","","3","P 32 2 1","P 32 2""","154","","","","- C55 H60 O5 -","- C46 H40 O4 -","- C138 H120 O12 -","3","0.5","","Darzi, Evan R.; White, Brittany M.; Loventhal, Lance K.; Zakharov, Lev N.; Jasti, Ramesh","An Operationally Simple and Mild Oxidative Homocoupling of Aryl Boronic Esters To Access Conformationally Constrained Macrocycles.","Journal of the American Chemical Society","2017","139","8","3106","3114","10.1021/jacs.6b12658","","","1.54178","CuKα","","0.0728","0.0633","","","0.1558","0.1605","","","","","","1.003","","","","has coordinates","193481","2020-10-21","18:00:00",""
"4125485","10.4271","0.0004","14.8854","0.0005","12.0952","0.0004","90","","113.424","0.002","90","","1722.6","0.11","173","2","173","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C21 H24 O3 -","- C21 H24 O3 -","- C84 H96 O12 -","4","1","","Darzi, Evan R.; White, Brittany M.; Loventhal, Lance K.; Zakharov, Lev N.; Jasti, Ramesh","An Operationally Simple and Mild Oxidative Homocoupling of Aryl Boronic Esters To Access Conformationally Constrained Macrocycles.","Journal of the American Chemical Society","2017","139","8","3106","3114","10.1021/jacs.6b12658","","","1.54178","CuKα","","0.124","0.1075","","","0.2954","0.3146","","","","","","1.015","","","","has coordinates","193481","2020-10-21","18:00:00",""
"4125486","36.947","0.0018","9.7771","0.0005","38.2483","0.0018","90","","111.093","0.002","90","","12890.9","1.1","173","2","173","2","","","","","","","","3","C 1 c 1","C -2yc","9","","","","- C34 H32 O4 -","- C34 H32 O4 -","- C680 H640 O80 -","20","5","","Darzi, Evan R.; White, Brittany M.; Loventhal, Lance K.; Zakharov, Lev N.; Jasti, Ramesh","An Operationally Simple and Mild Oxidative Homocoupling of Aryl Boronic Esters To Access Conformationally Constrained Macrocycles.","Journal of the American Chemical Society","2017","139","8","3106","3114","10.1021/jacs.6b12658","","","1.54178","CuKα","","0.0753","0.0557","","","0.1448","0.1607","","","","","","1.064","","","","has coordinates","193481","2020-10-21","18:00:00",""
"4125487","11.53896","0.00015","7.57923","0.00011","20.9318","0.0003","90","","95.3562","0.0012","90","","1822.63","0.04","103","2","103","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C10 H9 F2 N O2 -","- C10 H9 F2 N O2 -","- C80 H72 F16 N8 O16 -","8","2","","Wu, Jia-Qiang; Zhang, Shang-Shi; Gao, Hui; Qi, Zisong; Zhou, Chu-Jun; Ji, Wei-Wei; Liu, Yao; Chen, Yunyun; Li, Qingjiang; Li, Xingwei; Wang, Honggen","Experimental and Theoretical Studies on Rhodium-Catalyzed Coupling of Benzamides with 2,2-Difluorovinyl Tosylate: Diverse Synthesis of Fluorinated Heterocycles.","Journal of the American Chemical Society","2017","","","","","10.1021/jacs.7b00118","","x-ray","1.54184","CuKα","","0.0422","0.0408","","","0.1062","0.1074","","","","","","1.094","","","","has coordinates","192555","2020-10-21","18:00:00",""
"4125488","12.1941","0.0003","17.2572","0.0004","16.8432","0.0004","90","","107.324","0.0014","90","","3383.63","0.14","230","2","230","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C33 H45 B N2 O4 -","- C33 H45 B N2 O4 -","- C132 H180 B4 N8 O16 -","4","1","","McFadden, Timothy R.; Fang, Cheng; Geib, Steven J.; Merling, Everett; Liu, Peng; Curran, Dennis P.","Synthesis of Boriranes by Double Hydroboration Reactions of N-Heterocyclic Carbene Boranes and Dimethyl Acetylenedicarboxylate.","Journal of the American Chemical Society","2017","139","5","1726","1729","10.1021/jacs.6b09873","","","1.54178","CuKα","","0.0621","0.0468","","","0.1373","0.146","","","","","","1.368","","","","has coordinates","193494","2020-10-21","18:00:00",""
"4125489","11.681","0.0004","14.3215","0.0005","19.9387","0.0007","90","","101.768","0.002","90","","3265.4","0.2","230","2","230","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C33 H45 B N2 O4 -","- C33 H45 B N2 O4 -","- C132 H180 B4 N8 O16 -","4","1","","McFadden, Timothy R.; Fang, Cheng; Geib, Steven J.; Merling, Everett; Liu, Peng; Curran, Dennis P.","Synthesis of Boriranes by Double Hydroboration Reactions of N-Heterocyclic Carbene Boranes and Dimethyl Acetylenedicarboxylate.","Journal of the American Chemical Society","2017","139","5","1726","1729","10.1021/jacs.6b09873","","","1.54178","CuKα","","0.0804","0.0571","","","0.1605","0.1727","","","","","","1.491","","","","has coordinates","193494","2020-10-21","18:00:00",""
"4125490","18.9996","0.0007","16.0499","0.0006","18.9296","0.0007","90","","118.389","0.002","90","","5078.2","0.3","230","2","230","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C27 H33 B N2 O4 -","- C27 H33 B N2 O4 -","- C216 H264 B8 N16 O32 -","8","2","","McFadden, Timothy R.; Fang, Cheng; Geib, Steven J.; Merling, Everett; Liu, Peng; Curran, Dennis P.","Synthesis of Boriranes by Double Hydroboration Reactions of N-Heterocyclic Carbene Boranes and Dimethyl Acetylenedicarboxylate.","Journal of the American Chemical Society","2017","139","5","1726","1729","10.1021/jacs.6b09873","","","1.54178","CuKα","","0.0511","0.0425","","","0.1254","0.1311","","","","","","1.416","","","","has coordinates","193494","2020-10-21","18:00:00",""
"4125491","13.2934","0.0006","8.5248","0.0004","15.9325","0.0007","90","","100.915","0.002","90","","1772.86","0.14","230","2","230","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C15 H25 B N2 O4 -","- C15 H25 B N2 O4 -","- C60 H100 B4 N8 O16 -","4","1","","McFadden, Timothy R.; Fang, Cheng; Geib, Steven J.; Merling, Everett; Liu, Peng; Curran, Dennis P.","Synthesis of Boriranes by Double Hydroboration Reactions of N-Heterocyclic Carbene Boranes and Dimethyl Acetylenedicarboxylate.","Journal of the American Chemical Society","2017","139","5","1726","1729","10.1021/jacs.6b09873","","","1.54178","CuKα","","0.0379","0.035","","","0.1171","0.1204","","","","","","1.511","","","","has coordinates","193494","2020-10-21","18:00:00",""
"4125492","7.3996","0.0004","7.6266","0.0005","37.156","0.002","90","","90","","90","","2096.9","0.2","293","2","293","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C9 H11 N2 O3 S -","- C9 H11 N2 O3 S -","- C72 H88 N16 O24 S8 -","8","1","","Karak, Suvendu; Kandambeth, Sharath; Biswal, Bishnu P.; Sasmal, Himadri Sekhar; Kumar, Sushil; Pachfule, Pradip; Banerjee, Rahul","Constructing Ultraporous Covalent Organic Frameworks in Seconds via an Organic Terracotta Process.","Journal of the American Chemical Society","2017","139","5","1856","1862","10.1021/jacs.6b08815","","","1.54184","CuKα","","0.1017","0.0868","","","0.2163","0.2295","","","","","","1.13","","","","has coordinates","193495","2020-10-21","18:00:00",""
"4125493","7.3346","0.0002","7.5087","0.0002","36.7164","0.0014","90","","90","","90","","2022.09","0.11","293","2","293","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C9 H10 N O3 S -","- C9 H10 N O3 S -","- C72 H80 N8 O24 S8 -","8","1","","Karak, Suvendu; Kandambeth, Sharath; Biswal, Bishnu P.; Sasmal, Himadri Sekhar; Kumar, Sushil; Pachfule, Pradip; Banerjee, Rahul","Constructing Ultraporous Covalent Organic Frameworks in Seconds via an Organic Terracotta Process.","Journal of the American Chemical Society","2017","139","5","1856","1862","10.1021/jacs.6b08815","","","0.71073","MoKα","","0.0558","0.0471","","","0.1353","0.1405","","","","","","1.104","","","","has coordinates","193495","2020-10-21","18:00:00",""
"4125494","5.4297","0.0005","9.1562","0.001","10.8346","0.001","93.508","0.008","97.284","0.008","100.633","0.009","523.15","0.09","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C9 H9 N2 O5 S -","- C9 H9 N2 O5 S -","- C18 H18 N4 O10 S2 -","2","1","","Karak, Suvendu; Kandambeth, Sharath; Biswal, Bishnu P.; Sasmal, Himadri Sekhar; Kumar, Sushil; Pachfule, Pradip; Banerjee, Rahul","Constructing Ultraporous Covalent Organic Frameworks in Seconds via an Organic Terracotta Process.","Journal of the American Chemical Society","2017","139","5","1856","1862","10.1021/jacs.6b08815","","","0.71073","MoKα","","0.0486","0.0461","","","0.1283","0.1307","","","","","","1.059","","","","has coordinates","193495","2020-10-21","18:00:00",""
"4125495","11.1336","0.001","15.7206","0.0016","11.0314","0.0017","90","","90","","90","","1930.8","0.4","293","2","293","2","","","","","","","","5","P b c n","-P 2n 2ab","60","","","","- C9 H10 N O4 S -","- C9 H10 N O4 S -","- C72 H80 N8 O32 S8 -","8","1","","Karak, Suvendu; Kandambeth, Sharath; Biswal, Bishnu P.; Sasmal, Himadri Sekhar; Kumar, Sushil; Pachfule, Pradip; Banerjee, Rahul","Constructing Ultraporous Covalent Organic Frameworks in Seconds via an Organic Terracotta Process.","Journal of the American Chemical Society","2017","139","5","1856","1862","10.1021/jacs.6b08815","","","0.71073","MoKα","","0.1504","0.125","","","0.2999","0.3582","","","","","","1.267","","","","has coordinates","193495","2020-10-21","18:00:00",""
"4125496","7.0851","0.0005","7.8518","0.0004","24.8513","0.0017","95.667","0.005","95.177","0.006","93.368","0.005","1366.93","0.15","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C28 H26 N2 O8 S2 -","- C28 H26 N2 O8 S2 -","- C56 H52 N4 O16 S4 -","2","1","","Karak, Suvendu; Kandambeth, Sharath; Biswal, Bishnu P.; Sasmal, Himadri Sekhar; Kumar, Sushil; Pachfule, Pradip; Banerjee, Rahul","Constructing Ultraporous Covalent Organic Frameworks in Seconds via an Organic Terracotta Process.","Journal of the American Chemical Society","2017","139","5","1856","1862","10.1021/jacs.6b08815","","","0.71073","MoKα","","0.1022","0.0637","","","0.1474","0.1684","","","","","","1.056","","","","has coordinates","193495","2020-10-21","18:00:00",""
"4125497","17.462","0.0006","7.1855","0.0002","22.0942","0.0007","90","","90.221","0.003","90","","2772.21","0.15","293","2","293","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C26 H28 N4 O6 S2 -","- C26 H28 N4 O6 S2 -","- C104 H112 N16 O24 S8 -","4","1","","Karak, Suvendu; Kandambeth, Sharath; Biswal, Bishnu P.; Sasmal, Himadri Sekhar; Kumar, Sushil; Pachfule, Pradip; Banerjee, Rahul","Constructing Ultraporous Covalent Organic Frameworks in Seconds via an Organic Terracotta Process.","Journal of the American Chemical Society","2017","139","5","1856","1862","10.1021/jacs.6b08815","","","0.71073","MoKα","","0.1114","0.0925","","","0.2674","0.2902","","","","","","1.064","","","","has coordinates","193495","2020-10-21","18:00:00",""
"4125498","11.036","0.005","5.946","0.005","27.498","0.005","90","0.005","93.037","0.005","90","0.005","1801.9","1.8","293","2","293","2","","","","","","","","5","P 1 2/c 1","-P 2yc","13","","","","- C19 H20 N2 O3 S -","- C19 H20 N2 O3 S -","- C76 H80 N8 O12 S4 -","4","1","","Karak, Suvendu; Kandambeth, Sharath; Biswal, Bishnu P.; Sasmal, Himadri Sekhar; Kumar, Sushil; Pachfule, Pradip; Banerjee, Rahul","Constructing Ultraporous Covalent Organic Frameworks in Seconds via an Organic Terracotta Process.","Journal of the American Chemical Society","2017","139","5","1856","1862","10.1021/jacs.6b08815","","","0.71073","MoKα","","0.096","0.0769","","","0.1939","0.2017","","","","","","1.253","","","","has coordinates","193495","2020-10-21","18:00:00",""
"4125499","21.814","0.005","5.665","0.005","23.078","0.005","90","0.005","101.57","0.005","90","0.005","2794","3","293","2","293","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C28 H32 N2 O8 S2 -","- C28 H32 N2 O8 S2 -","- C112 H128 N8 O32 S8 -","4","0.5","","Karak, Suvendu; Kandambeth, Sharath; Biswal, Bishnu P.; Sasmal, Himadri Sekhar; Kumar, Sushil; Pachfule, Pradip; Banerjee, Rahul","Constructing Ultraporous Covalent Organic Frameworks in Seconds via an Organic Terracotta Process.","Journal of the American Chemical Society","2017","139","5","1856","1862","10.1021/jacs.6b08815","","","1.54184","CuKα","","0.092","0.0655","","","0.12","0.1301","","","","","","1.069","","","","has coordinates","193495","2020-10-21","18:00:00",""
"4125500","6.8608","0.0008","7.4854","0.0009","12.4733","0.0011","94.583","0.009","100.837","0.009","97.837","0.009","619.6","0.12","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C24 H26 N4 O6 S2 -","- C24 H26 N4 O6 S2 -","- C24 H26 N4 O6 S2 -","1","0.5","","Karak, Suvendu; Kandambeth, Sharath; Biswal, Bishnu P.; Sasmal, Himadri Sekhar; Kumar, Sushil; Pachfule, Pradip; Banerjee, Rahul","Constructing Ultraporous Covalent Organic Frameworks in Seconds via an Organic Terracotta Process.","Journal of the American Chemical Society","2017","139","5","1856","1862","10.1021/jacs.6b08815","","","1.54184","CuKα","","0.1115","0.0882","","","0.2739","0.2879","","","","","","1.171","","","","has coordinates","193495","2020-10-21","18:00:00",""
"4125501","9.6831","0.001","6.95","0.0011","16.999","0.003","90","","98.873","0.012","90","","1130.3","0.3","293","2","293","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C11 H13 N O3 S -","- C11 H13 N O3 S -","- C44 H52 N4 O12 S4 -","4","1","","Karak, Suvendu; Kandambeth, Sharath; Biswal, Bishnu P.; Sasmal, Himadri Sekhar; Kumar, Sushil; Pachfule, Pradip; Banerjee, Rahul","Constructing Ultraporous Covalent Organic Frameworks in Seconds via an Organic Terracotta Process.","Journal of the American Chemical Society","2017","139","5","1856","1862","10.1021/jacs.6b08815","","","0.71073","MoKα","","0.1439","0.0992","","","0.2531","0.3225","","","","","","1.047","","","","has coordinates","193495","2020-10-21","18:00:00",""
"4125502","6.7115","0.0002","12.5511","0.0003","17.2878","0.0005","90","","90","","90","","1456.27","0.07","293","2","293","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C13 H15 N3 O5 S -","- C13 H15 N3 O5 S -","- C52 H60 N12 O20 S4 -","4","1","","Karak, Suvendu; Kandambeth, Sharath; Biswal, Bishnu P.; Sasmal, Himadri Sekhar; Kumar, Sushil; Pachfule, Pradip; Banerjee, Rahul","Constructing Ultraporous Covalent Organic Frameworks in Seconds via an Organic Terracotta Process.","Journal of the American Chemical Society","2017","139","5","1856","1862","10.1021/jacs.6b08815","","","0.71073","MoKα","","0.038","0.0357","","","0.0966","0.0983","","","","","","1.047","","","","has coordinates","193495","2020-10-21","18:00:00",""
"4125503","20.179","0.005","7.3128","0.0018","24.983","0.006","90","","106.921","0.01","90","","3527","1.5","100","0.2","100","0.2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C26 H16 N2 Pd -","- C26 H16 N2 Pd -","- C208 H128 N16 Pd8 -","8","2","","Oeschger, Raphael J.; Chen, Peter","Structure and Gas-Phase Thermochemistry of a Pd/Cu Complex: Studies on a Model for Transmetalation Transition States.","Journal of the American Chemical Society","2017","139","3","1069","1072","10.1021/jacs.6b12152","","x-ray","0.71073","MoKα","","0.0848","0.0447","","","0.0763","0.0875","","","","","","1.009","","","","has coordinates","193522","2020-10-21","18:00:00",""
"4125504","14.577","0.003","21.308","0.002","7.6497","0.0011","90","","93.398","0.015","90","","2371.9","0.6","173","2","173","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C29 H23 B Br2 -","- C29 H23 B Br2 -","- C116 H92 B4 Br8 -","4","0.5","","Schickedanz, Kai; Radtke, Julian; Bolte, Michael; Lerner, Hans-Wolfram; Wagner, Matthias","Facile Route to Quadruply Annulated Borepins.","Journal of the American Chemical Society","2017","139","7","2842","2851","10.1021/jacs.7b00268","","","0.71073","MoKα","","0.1029","0.0718","","","0.1758","0.1921","","","","","","1.105","","","","has coordinates","193515","2020-10-21","18:00:00",""
"4125505","8.5016","0.0007","10.3643","0.0009","14.9812","0.0014","81.866","0.007","85.884","0.007","77.541","0.006","1274.8","0.2","173","2","173","2","","","","","","","","4","P -1","-P 1","2","","","","- C33 H23 B Br2 -","- C33 H23 B Br2 -","- C66 H46 B2 Br4 -","2","1","","Schickedanz, Kai; Radtke, Julian; Bolte, Michael; Lerner, Hans-Wolfram; Wagner, Matthias","Facile Route to Quadruply Annulated Borepins.","Journal of the American Chemical Society","2017","139","7","2842","2851","10.1021/jacs.7b00268","","","0.71073","MoKα","","0.0961","0.0669","","","0.1549","0.1697","","","","","","1.046","","","","has coordinates","193515","2020-10-21","18:00:00",""
"4125506","18.4101","0.0007","13.605","0.0004","8.2544","0.0003","90","","98.845","0.003","90","","2042.89","0.12","173","2","173","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C26 H17 B Br2 -","- C26 H17 B Br2 -","- C104 H68 B4 Br8 -","4","1","","Schickedanz, Kai; Radtke, Julian; Bolte, Michael; Lerner, Hans-Wolfram; Wagner, Matthias","Facile Route to Quadruply Annulated Borepins.","Journal of the American Chemical Society","2017","139","7","2842","2851","10.1021/jacs.7b00268","","","0.71073","MoKα","","0.0575","0.0457","","","0.1084","0.1123","","","","","","1.149","","","","has coordinates","193515","2020-10-21","18:00:00",""
"4125507","29.3271","0.0005","8.3264","0.0001","20.8885","0.0003","90","","90","","90","","5100.75","0.13","173","2","173","2","","","","","","","","5","P b c n","-P 2n 2ab","60","","","","- C30.5 H21.5 B Br2 Cl1.5 -","- C30.5 H21.5 B Br2 Cl1.5 -","- C244 H172 B8 Br16 Cl12 -","8","1","","Schickedanz, Kai; Radtke, Julian; Bolte, Michael; Lerner, Hans-Wolfram; Wagner, Matthias","Facile Route to Quadruply Annulated Borepins.","Journal of the American Chemical Society","2017","139","7","2842","2851","10.1021/jacs.7b00268","","","0.71073","MoKα","","0.0574","0.0529","","","0.125","0.1283","","","","","","1.164","","","","has coordinates","193515","2020-10-21","18:00:00",""
"4125508","15.526","0.0009","9.0436","0.0005","15.7165","0.0009","90","","113.022","0.004","90","","2031","0.2","173","2","173","2","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","","","- C29 H23 B -","- C29 H23 B -","- C116 H92 B4 -","4","1","","Schickedanz, Kai; Radtke, Julian; Bolte, Michael; Lerner, Hans-Wolfram; Wagner, Matthias","Facile Route to Quadruply Annulated Borepins.","Journal of the American Chemical Society","2017","139","7","2842","2851","10.1021/jacs.7b00268","","","0.71073","MoKα","","0.0579","0.0448","","","0.1022","0.1077","","","","","","1.061","","","","has coordinates","193515","2020-10-21","18:00:00",""
"4125509","8.8813","0.001","11.36","0.0014","13.4459","0.0019","93.38","0.011","97.697","0.01","93.021","0.01","1339.5","0.3","173","2","173","2","","","","","","","","3","P -1","-P 1","2","","","","- C36 H34 B -","- C36 H34 B -","- C72 H68 B2 -","2","1","","Schickedanz, Kai; Radtke, Julian; Bolte, Michael; Lerner, Hans-Wolfram; Wagner, Matthias","Facile Route to Quadruply Annulated Borepins.","Journal of the American Chemical Society","2017","139","7","2842","2851","10.1021/jacs.7b00268","","","0.71073","MoKα","","0.1338","0.0733","","","0.1658","0.1931","","","","","","0.981","","","","has coordinates","193515","2020-10-21","18:00:00",""
"4125510","9.1273","0.0002","21.7763","0.0006","17.9055","0.0006","90","","91.652","0.003","90","","3557.4","0.17","100","0.1","100","0.1","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C30 H40 Cl Mn N5 O11 -","- C30 H40 Cl Mn N5 O11 -","- C120 H160 Cl4 Mn4 N20 O44 -","4","1","","Kenkel, Isabell; Franke, Alicja; Dürr, Maximilian; Zahl, Achim; Dücker-Benfer, Carlos; Langer, Jens; Filipović, Milos R; Yu, Meng; Puchta, Ralph; Fiedler, Stephanie R.; Shores, Matthew P.; Goldsmith, Christian R.; Ivanović-Burmazović, Ivana","Switching between Inner- and Outer-Sphere PCET Mechanisms of Small-Molecule Activation: Superoxide Dismutation and Oxygen/Superoxide Reduction Reactivity Deriving from the Same Manganese Complex.","Journal of the American Chemical Society","2017","139","4","1472","1484","10.1021/jacs.6b08394","","x-ray","0.71073","MoKα","","0.0595","0.05","","","0.1309","0.1377","","","","","","1.063","","","","has coordinates,has disorder","193500","2020-10-21","18:00:00",""
"4125511","25.878","0.0009","26.0327","0.0009","26.5129","0.0009","61.613","0.002","75.949","0.002","61.416","0.002","13795.5","0.9","150","2","150","2","","","","","","","","6","P -1","-P 1","2","","","","- C480 H582 Ag44.66 Au5.34 P12 S30 -","- C480 H582 Ag44.658 Au5.342 P12 S30 -","- C480 H582 Ag44.658 Au5.342 P12 S30 -","1","0.5","","Du, Wenjun; Jin, Shan; Xiong, Lin; Chen, Man; Zhang, Jun; Zou, Xuejuan; Pei, Yong; Wang, Shuxin; Zhu, Manzhou","Ag50(Dppm)6(SR)30 and Its Homologue AuxAg50-x(Dppm)6(SR)30 Alloy Nanocluster: Seeded Growth, Structure Determination, and Differences in Properties.","Journal of the American Chemical Society","2017","139","4","1618","1624","10.1021/jacs.6b11681","","","0.71073","MoKα","","0.2137","0.1497","","","0.3478","0.4079","","","","","","1.167","","","","has coordinates,has disorder","193501","2020-10-21","18:00:00",""
"4125512","26.2512","0.0012","26.6936","0.0012","26.7376","0.0012","76.576","0.002","60.718","0.002","61.726","0.002","14392.3","1.2","150","2","150","2","","","","","","","","5","P -1","-P 1","2","","","","- C480 H582 Ag50 P12 S30 -","- C480 H582 Ag50 P12 S30 -","- C480 H582 Ag50 P12 S30 -","1","0.5","","Du, Wenjun; Jin, Shan; Xiong, Lin; Chen, Man; Zhang, Jun; Zou, Xuejuan; Pei, Yong; Wang, Shuxin; Zhu, Manzhou","Ag50(Dppm)6(SR)30 and Its Homologue AuxAg50-x(Dppm)6(SR)30 Alloy Nanocluster: Seeded Growth, Structure Determination, and Differences in Properties.","Journal of the American Chemical Society","2017","139","4","1618","1624","10.1021/jacs.6b11681","","","0.71073","MoKα","","0.093","0.0619","","","0.1606","0.1788","","","","","","1.035","","","","has coordinates","193501","2020-10-21","18:00:00",""
"4125513","7.4283","0.0008","8.3837","0.0009","10.8769","0.0012","95.785","0.009","103.104","0.009","114.473","0.011","585.8","0.13","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C26 H22 B2 N4 O4 -","- C26 H22 B2 N4 O4 -","- C26 H22 B2 N4 O4 -","1","0.5","","Georgiou, Irene; Kervyn, Simon; Rossignon, Alexandre; De Leo, Federica; Wouters, Johan; Bruylants, Gilles; Bonifazi, Davide","Versatile Self-Adapting Boronic Acids for H-Bond Recognition: From Discrete to Polymeric Supramolecules.","Journal of the American Chemical Society","2017","139","7","2710","2727","10.1021/jacs.6b11362","","","1.54184","CuKα","","0.0883","0.0655","","","0.1889","0.1951","","","","","","1.359","","","","has coordinates","193516","2020-10-21","18:00:00",""
"4125514","13.0892","0.0006","13.9674","0.0004","8.3002","0.0004","90","","96.4","0.004","90","","1508","0.11","293","2","293","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C14 H11 B Cl2 N2 O2 -","- C14 H11 B Cl2 N2 O2 -","- C56 H44 B4 Cl8 N8 O8 -","4","1","","Georgiou, Irene; Kervyn, Simon; Rossignon, Alexandre; De Leo, Federica; Wouters, Johan; Bruylants, Gilles; Bonifazi, Davide","Versatile Self-Adapting Boronic Acids for H-Bond Recognition: From Discrete to Polymeric Supramolecules.","Journal of the American Chemical Society","2017","139","7","2710","2727","10.1021/jacs.6b11362","","","0.71073","MoKα","","0.0477","0.0387","","","0.0926","0.0978","","","","","","1.043","","","","has coordinates","193516","2020-10-21","18:00:00",""
"4125515","6.8541","0.0007","9.8549","0.0019","10.772","0.002","114.154","0.018","93.533","0.011","96.875","0.011","654.2","0.2","293","2","293","2","","","","","","","","6","P -1","-P 1","2","","","","- C26 H20 B2 Br2 N4 O4 -","- C26 H20 B2 Br2 N4 O4 -","- C26 H20 B2 Br2 N4 O4 -","1","0.5","","Georgiou, Irene; Kervyn, Simon; Rossignon, Alexandre; De Leo, Federica; Wouters, Johan; Bruylants, Gilles; Bonifazi, Davide","Versatile Self-Adapting Boronic Acids for H-Bond Recognition: From Discrete to Polymeric Supramolecules.","Journal of the American Chemical Society","2017","139","7","2710","2727","10.1021/jacs.6b11362","","","0.71073","MoKα","","0.0606","0.041","","","0.1226","0.1671","","","","","","1.063","","","","has coordinates","193516","2020-10-21","18:00:00",""
"4125516","9.3053","0.0009","12.7855","0.0013","13.0268","0.0013","90","","90.721","0.009","90","","1549.7","0.3","293","2","293","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C18 H15 B N2 O2 -","- C18 H15 B N2 O2 -","- C72 H60 B4 N8 O8 -","4","1","","Georgiou, Irene; Kervyn, Simon; Rossignon, Alexandre; De Leo, Federica; Wouters, Johan; Bruylants, Gilles; Bonifazi, Davide","Versatile Self-Adapting Boronic Acids for H-Bond Recognition: From Discrete to Polymeric Supramolecules.","Journal of the American Chemical Society","2017","139","7","2710","2727","10.1021/jacs.6b11362","","","0.71073","MoKα","","0.0842","0.0658","","","0.1565","0.1659","","","","","","1.105","","","","has coordinates","193516","2020-10-21","18:00:00",""
"4125517","10.5129","0.0005","12.6999","0.0006","13.1644","0.0006","90","","99.026","0.005","90","","1735.85","0.14","293","2","293","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C18 H13 B Cl2 N2 O2 -","- C18 H13 B Cl2 N2 O2 -","- C72 H52 B4 Cl8 N8 O8 -","4","1","","Georgiou, Irene; Kervyn, Simon; Rossignon, Alexandre; De Leo, Federica; Wouters, Johan; Bruylants, Gilles; Bonifazi, Davide","Versatile Self-Adapting Boronic Acids for H-Bond Recognition: From Discrete to Polymeric Supramolecules.","Journal of the American Chemical Society","2017","139","7","2710","2727","10.1021/jacs.6b11362","","","0.71073","MoKα","","0.0492","0.0387","","","0.0963","0.1037","","","","","","1.036","","","","has coordinates","193516","2020-10-21","18:00:00",""
"4125518","6.8485","0.0004","8.6631","0.0006","14.9105","0.001","104.365","0.006","92.714","0.005","97.449","0.005","846.82","0.1","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C34 H26 B2 N4 O4 -","- C34 H26 B2 N4 O4 -","- C34 H26 B2 N4 O4 -","1","0.5","","Georgiou, Irene; Kervyn, Simon; Rossignon, Alexandre; De Leo, Federica; Wouters, Johan; Bruylants, Gilles; Bonifazi, Davide","Versatile Self-Adapting Boronic Acids for H-Bond Recognition: From Discrete to Polymeric Supramolecules.","Journal of the American Chemical Society","2017","139","7","2710","2727","10.1021/jacs.6b11362","","","1.54184","CuKα","","0.072","0.0537","","","0.1744","0.1932","","","","","","1.174","","","","has coordinates","193516","2020-10-21","18:00:00",""
"4125519","26.2971","0.001","7.0717","0.0002","22.6474","0.0008","90","","114.836","0.004","90","","3822.1","0.3","293","2","293","2","","","","","","","","5","P 1 2/c 1","-P 2yc","13","","","","- C21 H21 B N2 O2 -","- C21 H21 B N2 O2 -","- C168 H168 B8 N16 O16 -","8","2","","Georgiou, Irene; Kervyn, Simon; Rossignon, Alexandre; De Leo, Federica; Wouters, Johan; Bruylants, Gilles; Bonifazi, Davide","Versatile Self-Adapting Boronic Acids for H-Bond Recognition: From Discrete to Polymeric Supramolecules.","Journal of the American Chemical Society","2017","139","7","2710","2727","10.1021/jacs.6b11362","","","1.54184","CuKα","","0.0663","0.056","","","0.1604","0.1776","","","","","","1.096","","","","has coordinates,has disorder","193516","2020-10-21","18:00:00",""
"4125520","12.354","0.002","8.628","0.001","14.2421","0.0019","90","","116.121","0.01","90","","1363","0.3","293","2","293","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C14 H12 B F N2 O2 -","- C14 H12 B F N2 O2 -","- C56 H48 B4 F4 N8 O8 -","4","1","","Georgiou, Irene; Kervyn, Simon; Rossignon, Alexandre; De Leo, Federica; Wouters, Johan; Bruylants, Gilles; Bonifazi, Davide","Versatile Self-Adapting Boronic Acids for H-Bond Recognition: From Discrete to Polymeric Supramolecules.","Journal of the American Chemical Society","2017","139","7","2710","2727","10.1021/jacs.6b11362","","","0.71073","MoKα","","0.0483","0.0396","","","0.0991","0.1053","","","","","","1.044","","","","has coordinates","193516","2020-10-21","18:00:00",""
"4125521","3.8701","0.0004","12.5606","0.0014","28.597","0.002","90","","93.811","0.009","90","","1387","0.2","293","2","293","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C14 H10 B F3 N2 O2 -","- C14 H10 B F3 N2 O2 -","- C56 H40 B4 F12 N8 O8 -","4","1","","Georgiou, Irene; Kervyn, Simon; Rossignon, Alexandre; De Leo, Federica; Wouters, Johan; Bruylants, Gilles; Bonifazi, Davide","Versatile Self-Adapting Boronic Acids for H-Bond Recognition: From Discrete to Polymeric Supramolecules.","Journal of the American Chemical Society","2017","139","7","2710","2727","10.1021/jacs.6b11362","","","0.71073","MoKα","","0.1318","0.0501","","","0.07","0.0987","","","","","","0.938","","","","has coordinates","193516","2020-10-21","18:00:00",""
"4125522","8.0142","0.0007","9.9714","0.0007","11.2985","0.0009","91.268","0.006","109.233","0.008","103.936","0.006","822.32","0.12","293","2","293","2","","","","","","","","6","P -1","-P 1","2","","","","- C18 H14 B Cl N2 O2 -","- C18 H14 B Cl N2 O2 -","- C36 H28 B2 Cl2 N4 O4 -","2","1","","Georgiou, Irene; Kervyn, Simon; Rossignon, Alexandre; De Leo, Federica; Wouters, Johan; Bruylants, Gilles; Bonifazi, Davide","Versatile Self-Adapting Boronic Acids for H-Bond Recognition: From Discrete to Polymeric Supramolecules.","Journal of the American Chemical Society","2017","139","7","2710","2727","10.1021/jacs.6b11362","","","0.71073","MoKα","","0.0671","0.0479","","","0.1238","0.1374","","","","","","1.05","","","","has coordinates","193516","2020-10-21","18:00:00",""
"4125523","10.1397","0.0005","12.3561","0.0004","12.7615","0.0006","90","","110.316","0.005","90","","1499.39","0.12","293","2","293","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C15 H15 B N2 O3 -","- C15 H15 B N2 O3 -","- C60 H60 B4 N8 O12 -","4","1","","Georgiou, Irene; Kervyn, Simon; Rossignon, Alexandre; De Leo, Federica; Wouters, Johan; Bruylants, Gilles; Bonifazi, Davide","Versatile Self-Adapting Boronic Acids for H-Bond Recognition: From Discrete to Polymeric Supramolecules.","Journal of the American Chemical Society","2017","139","7","2710","2727","10.1021/jacs.6b11362","","","0.71073","MoKα","","0.0542","0.0408","","","0.0973","0.1061","","","","","","1.015","","","","has coordinates","193516","2020-10-21","18:00:00",""
"4125524","24.7752","0.0015","13.4269","0.0008","27.4783","0.0014","90","","90","","90","","9140.8","0.9","293","2","293","2","","","","","","","","6","P b c n","-P 2n 2ab","60","","","","- C15 H15 B N2 O2 S -","- C15 H15 B N2 O2 S -","- C360 H360 B24 N48 O48 S24 -","24","3","","Georgiou, Irene; Kervyn, Simon; Rossignon, Alexandre; De Leo, Federica; Wouters, Johan; Bruylants, Gilles; Bonifazi, Davide","Versatile Self-Adapting Boronic Acids for H-Bond Recognition: From Discrete to Polymeric Supramolecules.","Journal of the American Chemical Society","2017","139","7","2710","2727","10.1021/jacs.6b11362","","","0.71073","MoKα","","0.173","0.0848","","","0.1521","0.1913","","","","","","1.045","","","","has coordinates","193516","2020-10-21","18:00:00",""
"4125525","7.6712","0.0004","19.9377","0.0013","10.8372","0.0006","90","","99.292","0.005","90","","1635.76","0.17","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C17 H19 B N2 O2 -","- C17 H19 B N2 O2 -","- C68 H76 B4 N8 O8 -","4","1","","Georgiou, Irene; Kervyn, Simon; Rossignon, Alexandre; De Leo, Federica; Wouters, Johan; Bruylants, Gilles; Bonifazi, Davide","Versatile Self-Adapting Boronic Acids for H-Bond Recognition: From Discrete to Polymeric Supramolecules.","Journal of the American Chemical Society","2017","139","7","2710","2727","10.1021/jacs.6b11362","","","0.71073","MoKα","","0.0889","0.0522","","","0.1071","0.1243","","","","","","1.038","","","","has coordinates","193516","2020-10-21","18:00:00",""
"4125526","6.757","0.0003","9.7827","0.0004","10.5456","0.0005","112.762","0.004","94.006","0.004","96.904","0.004","632.96","0.05","293","2","293","2","","","","","","","","6","P -1","-P 1","2","","","","- C26 H20 B2 Cl2 N4 O4 -","- C26 H20 B2 Cl2 N4 O4 -","- C26 H20 B2 Cl2 N4 O4 -","1","0.5","","Georgiou, Irene; Kervyn, Simon; Rossignon, Alexandre; De Leo, Federica; Wouters, Johan; Bruylants, Gilles; Bonifazi, Davide","Versatile Self-Adapting Boronic Acids for H-Bond Recognition: From Discrete to Polymeric Supramolecules.","Journal of the American Chemical Society","2017","139","7","2710","2727","10.1021/jacs.6b11362","","","1.54184","CuKα","","0.0397","0.0381","","","0.1091","0.1115","","","","","","0.85","","","","has coordinates","193516","2020-10-21","18:00:00",""
"4125527","8.9934","0.0005","15.8317","0.0007","7.2226","0.0004","90","","90.808","0.005","90","","1028.26","0.09","293","2","293","2","","","","","","","","5","P 1 2/c 1","-P 2yc","13","","","","- C20 H16 B2 N4 O4 -","- C20 H16 B2 N4 O4 -","- C40 H32 B4 N8 O8 -","2","0.5","","Georgiou, Irene; Kervyn, Simon; Rossignon, Alexandre; De Leo, Federica; Wouters, Johan; Bruylants, Gilles; Bonifazi, Davide","Versatile Self-Adapting Boronic Acids for H-Bond Recognition: From Discrete to Polymeric Supramolecules.","Journal of the American Chemical Society","2017","139","7","2710","2727","10.1021/jacs.6b11362","","","1.54184","CuKα","","0.1288","0.108","","","0.2793","0.3144","","","","","","1.14","","","","has coordinates","193516","2020-10-21","18:00:00",""
"4125528","10.4157","0.0015","12.9098","0.0017","13.575","0.002","90","","97.56","0.014","90","","1809.5","0.4","293","2","293","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C18 H13 B Br2 N2 O2 -","- C18 H13 B Br2 N2 O2 -","- C72 H52 B4 Br8 N8 O8 -","4","1","","Georgiou, Irene; Kervyn, Simon; Rossignon, Alexandre; De Leo, Federica; Wouters, Johan; Bruylants, Gilles; Bonifazi, Davide","Versatile Self-Adapting Boronic Acids for H-Bond Recognition: From Discrete to Polymeric Supramolecules.","Journal of the American Chemical Society","2017","139","7","2710","2727","10.1021/jacs.6b11362","","","0.71073","MoKα","","0.1201","0.0712","","","0.1472","0.1813","","","","","","1.029","","","","has coordinates","193516","2020-10-21","18:00:00",""
"4125529","6.7753","0.0003","24.5789","0.0011","9.48","0.0006","90","","117.015","0.004","90","","1406.44","0.14","293","2","293","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C14 H11 B F2 N2 O2 -","- C14 H11 B F2 N2 O2 -","- C56 H44 B4 F8 N8 O8 -","4","1","","Georgiou, Irene; Kervyn, Simon; Rossignon, Alexandre; De Leo, Federica; Wouters, Johan; Bruylants, Gilles; Bonifazi, Davide","Versatile Self-Adapting Boronic Acids for H-Bond Recognition: From Discrete to Polymeric Supramolecules.","Journal of the American Chemical Society","2017","139","7","2710","2727","10.1021/jacs.6b11362","","","0.71073","MoKα","","0.0639","0.0455","","","0.1106","0.1221","","","","","","1.052","","","","has coordinates","193516","2020-10-21","18:00:00",""
"4125530","5.2682","0.0002","13.5894","0.0004","18.7378","0.0005","90","","90","","90","","1341.47","0.07","100","2","100","","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C16 H15 Br O -","- C16 H15 Br O -","- C64 H60 Br4 O4 -","4","1","","Wang, Yong; Wen, Xin; Cui, Xin; Wojtas, Lukasz; Zhang, X. Peter","Asymmetric Radical Cyclopropanation of Alkenes with In Situ-Generated Donor-Substituted Diazo Reagents via Co(II)-Based Metalloradical Catalysis.","Journal of the American Chemical Society","2017","139","3","1049","1052","10.1021/jacs.6b11336","","","1.54178","CuKα","","0.0229","0.0228","","","0.0597","0.0598","","","","","","1.106","","","","has coordinates","193523","2020-10-21","18:00:00",""
"4125531","19.777","0.008","16.145","0.006","25.463","0.01","90","","104.312","0.005","90","","7878","5","173","2","173","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C84 H86 Cl4 Cr2 O4 P4 Rh2 -","- C84 H83 Cl4 Cr2 O4 P4 Rh2 -","- C336 H332 Cl16 Cr8 O16 P16 Rh8 -","4","1","","Kamikawa, Ken; Tseng, Ya-Yi; Jian, Jia-Hong; Takahashi, Tamotsu; Ogasawara, Masamichi","Planar-Chiral Phosphine-Olefin Ligands Exploiting a (Cyclopentadienyl)manganese(I) Scaffold To Achieve High Robustness and High Enantioselectivity.","Journal of the American Chemical Society","2017","139","4","1545","1553","10.1021/jacs.6b11243","","","0.71073","MoKα","","0.1333","0.0924","","","0.2087","0.2378","","","","","","1.214","","","","has coordinates","193502","2020-10-21","18:00:00",""
"4125532","8.189","0.0005","18.7027","0.0011","23.157","0.0011","90","","90","","90","","3546.6","0.3","296","","296","","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C40 H38 Cr O2 P2 -","- C40 H38 Cr O2 P2 -","- C160 H152 Cr4 O8 P8 -","4","1","","Kamikawa, Ken; Tseng, Ya-Yi; Jian, Jia-Hong; Takahashi, Tamotsu; Ogasawara, Masamichi","Planar-Chiral Phosphine-Olefin Ligands Exploiting a (Cyclopentadienyl)manganese(I) Scaffold To Achieve High Robustness and High Enantioselectivity.","Journal of the American Chemical Society","2017","139","4","1545","1553","10.1021/jacs.6b11243","","","0.71075","MoKα","","0.0539","0.0401","","","0.0961","0.1024","","","","","","1.026","","","","has coordinates","193502","2020-10-21","18:00:00",""
"4125533","11.193","0.002","7.1614","0.0013","23.653","0.004","90","","98.978","0.003","90","","1872.7","0.6","273.15","","273.15","","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C22 H25 N O3 -","- C22 H25 N O3 -","- C88 H100 N4 O12 -","4","1","","Xiong, Peng; Xu, He-Huan; Xu, Hai-Chao","Metal- and Reagent-Free Intramolecular Oxidative Amination of Tri- and Tetrasubstituted Alkenes.","Journal of the American Chemical Society","2017","139","8","2956","2959","10.1021/jacs.7b01016","","","0.71073","MoKα","","0.0554","0.0476","","","0.1246","0.1305","","","","","","0.941","","","","has coordinates","193482","2020-10-21","18:00:00",""
"4125534","16.929","0.003","11.5469","0.0015","33.309","0.005","90","","95.231","0.004","90","","6484","1.7","123","2","123","2","","","","","","","","3","C 1 2/c 1","-C 2yc","15","decasilaisotwistane","permethyltricyclo[4.3.1.0^3,7^]decasilane","","- C16 H48 Si10 -","- C16 H48 Si10 -","- C128 H384 Si80 -","8","1","","Tsurusaki, Akihiro; Koyama, Yu; Kyushin, Soichiro","Decasilahexahydrotriquinacene and Decasilaisotwistane: σ Conjugation on a Bowl Surface.","Journal of the American Chemical Society","2017","","","","","10.1021/jacs.7b00250","","","0.71075","MoKα","","0.0332","0.0313","","","0.0708","0.0722","","","","","","1.074","","","","has coordinates","192588","2020-10-21","18:00:00",""
"4125535","18.9935","0.0005","18.9935","0.0005","50.612","0.003","90","","90","","90","","18258.4","1.3","200","2","200","2","","","","","","","","3","I 41/a","-I 4ad","88","","","","- C148 H136 Cl12 -","- C148 H136 Cl12 -","- C592 H544 Cl48 -","4","","","Moneypenny, 2nd, Timothy P; Walter, Nathan P.; Cai, Zhikun; Miao, Yu-Run; Gray, Danielle L.; Hinman, Jordan J.; Lee, Semin; Zhang, Yang; Moore, Jeffrey S.","Impact of Shape Persistence on the Porosity of Molecular Cages.","Journal of the American Chemical Society","2017","139","8","3259","3264","10.1021/jacs.7b00189","","","1.2399","synchrotron","","0.106","0.0881","","","0.2624","0.2817","","","","","","1.083","","","","has coordinates,has disorder","193483","2020-10-21","18:00:00",""
"4125536","13.407","0.002","13.407","0.002","24.102","0.004","90","","90","","90","","4332.3","1.2","133","2","133","2","","","","","","","","5","P 43","P 4cw","78","Ni(14-TMC)(NO3)2","","","- C16 H35 N7 Ni O6 -","- C16 H35 N7 Ni O6 -","- C128 H280 N56 Ni8 O48 -","8","2","","Derrick, Jeffrey S.; Lee, Jiwan; Lee, Shin Jung C.; Kim, Yujeong; Nam, Eunju; Tak, Hyeonwoo; Kang, Juhye; Lee, Misun; Kim, Sun Hee; Park, Kiyoung; Cho, Jaeheung; Lim, Mi Hee","Mechanistic Insights into Tunable Metal-Mediated Hydrolysis of Amyloid-β Peptides.","Journal of the American Chemical Society","2017","139","6","2234","2244","10.1021/jacs.6b09681","","","0.71073","MoKa","","0.1107","0.0587","","","0.1376","0.1649","","","","","","0.973","","","","has coordinates","193510","2020-10-21","18:00:00",""
"4125537","17.067","0.0008","12.9148","0.0006","8.7358","0.0005","90","","90","","90","","1925.52","0.17","113","2","113","2","","","","","","","","5","P n a 21","P 2c -2n","33","Co(14-TMC)(NO3)2","","","- C14 H32 Co N6 O6 -","- C14 H32 Co N6 O6 -","- C56 H128 Co4 N24 O24 -","4","1","","Derrick, Jeffrey S.; Lee, Jiwan; Lee, Shin Jung C.; Kim, Yujeong; Nam, Eunju; Tak, Hyeonwoo; Kang, Juhye; Lee, Misun; Kim, Sun Hee; Park, Kiyoung; Cho, Jaeheung; Lim, Mi Hee","Mechanistic Insights into Tunable Metal-Mediated Hydrolysis of Amyloid-β Peptides.","Journal of the American Chemical Society","2017","139","6","2234","2244","10.1021/jacs.6b09681","","","0.71073","MoKa","","0.0925","0.0574","","","0.1431","0.1634","","","","","","1.048","","","","has coordinates","193510","2020-10-21","18:00:00",""
"4125538","7.8523","0.0001","9.3906","0.0002","11.5779","0.0008","77.261","0.005","84.541","0.006","71.939","0.005","791.35","0.06","85","2","85","2","","","","","","","","3","P -1","-P 1","2","","","","- C22 H18 O -","- C22 H18 O -","- C44 H36 O2 -","2","1","","McAtee, Christopher C.; Riehl, Paul S.; Schindler, Corinna S.","Polycyclic Aromatic Hydrocarbons via Iron(III)-Catalyzed Carbonyl-Olefin Metathesis.","Journal of the American Chemical Society","2017","139","8","2960","2963","10.1021/jacs.7b01114","","","1.54178","CuKα","","0.0454","0.0446","","","0.1039","0.1045","","","","","","1.122","","","","has coordinates","193484","2020-10-21","18:00:00",""
"4125539","6.75939","0.00009","10.99247","0.00011","27.3555","0.0003","90","","90","","90","","2032.58","0.04","293","","293","","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C24 H16 N2 O6 -","- C24 H16 N2 O6 -","- C96 H64 N8 O24 -","4","1","","Raut, Vivek S.; Jean, Marion; Vanthuyne, Nicolas; Roussel, Christian; Constantieux, Thierry; Bressy, Cyril; Bugaut, Xavier; Bonne, Damien; Rodriguez, Jean","Enantioselective Syntheses of Furan Atropisomers by an Oxidative Central-to-Axial Chirality Conversion Strategy.","Journal of the American Chemical Society","2017","139","6","2140","2143","10.1021/jacs.6b11079","","x-ray","1.54184","CuKα","","0.0305","0.0301","","","0.0814","0.0818","","","","","","1.037","","","","has coordinates","193511","2020-10-21","18:00:00",""
"4125540","18.09886","0.00014","18.09886","0.00014","13.84162","0.00014","90","","90","","120","","3926.63","0.06","293","","293","","","","","","","","","5","P 31","P 31","144","","","","- C19 H14 Br N O4 -","- C19 H14 Br N O4 -","- C171 H126 Br9 N9 O36 -","9","3","","Raut, Vivek S.; Jean, Marion; Vanthuyne, Nicolas; Roussel, Christian; Constantieux, Thierry; Bressy, Cyril; Bugaut, Xavier; Bonne, Damien; Rodriguez, Jean","Enantioselective Syntheses of Furan Atropisomers by an Oxidative Central-to-Axial Chirality Conversion Strategy.","Journal of the American Chemical Society","2017","139","6","2140","2143","10.1021/jacs.6b11079","","x-ray","1.54184","CuKα","","0.0382","0.0369","","","0.0995","0.1011","","","","","","1.064","","","","has coordinates","255262","2020-10-21","18:00:00",""
"4125541","9.95597","0.00012","7.08249","0.00009","11.73782","0.00013","90","","94.2701","0.0011","90","","825.372","0.017","293","","293","","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C19 H12 Br N O4 -","- C19 H12 Br N O4 -","- C38 H24 Br2 N2 O8 -","2","1","","Raut, Vivek S.; Jean, Marion; Vanthuyne, Nicolas; Roussel, Christian; Constantieux, Thierry; Bressy, Cyril; Bugaut, Xavier; Bonne, Damien; Rodriguez, Jean","Enantioselective Syntheses of Furan Atropisomers by an Oxidative Central-to-Axial Chirality Conversion Strategy.","Journal of the American Chemical Society","2017","139","6","2140","2143","10.1021/jacs.6b11079","","x-ray","1.54184","CuKα","","0.0287","0.0284","","","0.0768","0.0773","","","","","","1.062","","","","has coordinates","193511","2020-10-21","18:00:00",""
"4125542","21.544","0.019","7.164","0.006","12.564","0.011","90","","98.611","0.012","90","","1917","3","90","","90","","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C18 H26 B2 F2 O4 -","- C18 H26 B2 F2 O4 -","- C72 H104 B8 F8 O16 -","4","0.5","","Shoji, Yoshiaki; Ikabata, Yasuhiro; Wang, Qi; Nemoto, Daisuke; Sakamoto, Atsushi; Tanaka, Naoki; Seino, Junji; Nakai, Hiromi; Fukushima, Takanori","Unveiling a New Aspect of Simple Arylboronic Esters: Long-Lived Room-Temperature Phosphorescence from Heavy-Atom-Free Molecules.","Journal of the American Chemical Society","2017","139","7","2728","2733","10.1021/jacs.6b11984","","","0.71073","MoKα","","0.0435","0.035","","","0.082","0.0861","","","","","","1.06","","","","has coordinates","193517","2020-10-21","18:00:00",""
"4125543","12.799","0.004","7.758","0.003","10.736","0.004","90","","108.119","0.004","90","","1013.2","0.6","90","","90","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C10 H12 B2 O4 -","- C10 H12 B2 O4 -","- C40 H48 B8 O16 -","4","1","","Shoji, Yoshiaki; Ikabata, Yasuhiro; Wang, Qi; Nemoto, Daisuke; Sakamoto, Atsushi; Tanaka, Naoki; Seino, Junji; Nakai, Hiromi; Fukushima, Takanori","Unveiling a New Aspect of Simple Arylboronic Esters: Long-Lived Room-Temperature Phosphorescence from Heavy-Atom-Free Molecules.","Journal of the American Chemical Society","2017","139","7","2728","2733","10.1021/jacs.6b11984","","","0.71073","MoKα","","0.0392","0.0339","","","0.0858","0.0894","","","","","","1.098","","","","has coordinates","193517","2020-10-21","18:00:00",""
"4125544","6.5342","0.0007","14.3432","0.0015","11.1367","0.0012","90","","95.372","0.001","90","","1039.16","0.19","456","","456","","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C20 H32 B2 O4 -","- C20 H32 B2 O4 -","- C40 H64 B4 O8 -","2","0.5","","Shoji, Yoshiaki; Ikabata, Yasuhiro; Wang, Qi; Nemoto, Daisuke; Sakamoto, Atsushi; Tanaka, Naoki; Seino, Junji; Nakai, Hiromi; Fukushima, Takanori","Unveiling a New Aspect of Simple Arylboronic Esters: Long-Lived Room-Temperature Phosphorescence from Heavy-Atom-Free Molecules.","Journal of the American Chemical Society","2017","139","7","2728","2733","10.1021/jacs.6b11984","","","0.71073","MoKα","","0.0371","0.0362","","","0.0893","0.09","","","","","","1.055","","","","has coordinates","193517","2020-10-21","18:00:00",""
"4125545","17.3782","0.0005","24.308","0.0007","29.6232","0.0008","90","","100.01","0.002","90","","12323.2","0.6","100","","99.99","","","","","","","","","4","P 1 21 1","P 2yb","4","","NDI Cage","","- C124 H116 N12 O12 -","- C124 H116 N12 O12 -","- C496 H464 N48 O48 -","4","2","","Šolomek, Tomáš; Powers-Riggs, Natalia E; Wu, Yi-Lin; Young, Ryan M.; Krzyaniak, Matthew D.; Horwitz, Noah E.; Wasielewski, Michael R.","Electron Hopping and Charge Separation within a Naphthalene-1,4:5,8-bis(dicarboximide) Chiral Covalent Organic Cage.","Journal of the American Chemical Society","2017","139","9","3348","3351","10.1021/jacs.7b00233","","x-ray","1.54178","CuKα","","0.1539","0.0887","","","0.2","0.2468","","","","","","0.98","","","","has coordinates","194840","2020-10-21","18:00:00",""
"4125546","17.0811","0.0005","33.4347","0.001","21.6852","0.0006","90","","90","","90","","12384.4","0.6","100","","99.99","","","","","","","","","4","C 2 2 21","C 2c 2","20","","NDI Cage Nitrobenzene","","- C120 H102 N16 O20 -","- C120 H102 N16 O20 -","- C480 H408 N64 O80 -","4","0.5","","Šolomek, Tomáš; Powers-Riggs, Natalia E; Wu, Yi-Lin; Young, Ryan M.; Krzyaniak, Matthew D.; Horwitz, Noah E.; Wasielewski, Michael R.","Electron Hopping and Charge Separation within a Naphthalene-1,4:5,8-bis(dicarboximide) Chiral Covalent Organic Cage.","Journal of the American Chemical Society","2017","139","9","3348","3351","10.1021/jacs.7b00233","","","1.54178","CuKα","","0.0593","0.0575","","","0.169","0.1727","","","","","","1.092","","","","has coordinates","194840","2020-10-21","18:00:00",""
"4125547","18.6825","0.0012","24.9889","0.0014","26.0603","0.0017","75.543","0.005","77.656","0.005","89.992","0.005","11490.5","1.3","100","","100.01","","","","","","","","","4","P -1","-P 1","2","","","","- C116.95 H107.85 N12 O12 -","- C116.95 H107.85 N12 O12 -","- C467.8 H431.4 N48 O48 -","4","2","","Šolomek, Tomáš; Powers-Riggs, Natalia E; Wu, Yi-Lin; Young, Ryan M.; Krzyaniak, Matthew D.; Horwitz, Noah E.; Wasielewski, Michael R.","Electron Hopping and Charge Separation within a Naphthalene-1,4:5,8-bis(dicarboximide) Chiral Covalent Organic Cage.","Journal of the American Chemical Society","2017","139","9","3348","3351","10.1021/jacs.7b00233","","","1.54178","CuKα","","0.2119","0.1307","","","0.3125","0.3482","","","","","","1.695","","","","has coordinates","194840","2020-10-21","18:00:00",""
"4125548","12.489","0.003","27.457","0.005","14.1","0.002","90","","104.753","0.006","90","","4675.6","1.6","100","2","100.01","","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C106 H96 Co3 N14 O12 -","- C106 H96 Co3 N14 O12 -","- C212 H192 Co6 N28 O24 -","2","1","","Wu, Yilei; Krzyaniak, Matthew D.; Stoddart, J. Fraser; Wasielewski, Michael R.","Spin Frustration in the Triradical Trianion of a Naphthalenediimide Molecular Triangle.","Journal of the American Chemical Society","2017","139","8","2948","2951","10.1021/jacs.7b00515","","","1.54178","CuKα","","0.037","0.0341","","","0.0881","0.0899","","","","","","1.024","","","","has coordinates","193485","2020-10-21","18:00:00",""
"4125549","6.7441","0.0004","23.0301","0.0013","14.3273","0.0009","90","","103.073","0.002","90","","2167.6","0.2","100","2","100","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C25 H19 F4 N4 -","- C25 H19 F4 N4 -","- C100 H76 F16 N16 -","4","1","","Travieso-Puente, Raquel; Budzak, Simon; Chen, Juan; Stacko, Peter; Jastrzebski, Johann T. B. H.; Jacquemin, Denis; Otten, Edwin","Arylazoindazole Photoswitches: Facile Synthesis and Functionalization via SNAr Substitution.","Journal of the American Chemical Society","2017","","","","","10.1021/jacs.6b12585","","","1.54178","CuKα","","0.0639","0.0463","","","0.0996","0.1059","","","","","","1.076","","","","has coordinates","192603","2020-10-21","18:00:00",""
"4125550","13.194","0.003","38.114","0.007","14.65","0.003","90","","90","","90","","7367","3","100","2","100","2","","","","","","","","4","P b c n","-P 2n 2ab","60","","","","- C22 H16 F4 N4 -","- C22 H16 F4 N4 -","- C352 H256 F64 N64 -","16","2","","Travieso-Puente, Raquel; Budzak, Simon; Chen, Juan; Stacko, Peter; Jastrzebski, Johann T. B. H.; Jacquemin, Denis; Otten, Edwin","Arylazoindazole Photoswitches: Facile Synthesis and Functionalization via SNAr Substitution.","Journal of the American Chemical Society","2017","","","","","10.1021/jacs.6b12585","","","0.71073","MoKα","","0.0963","0.0537","","","0.1132","0.1274","","","","","","1.093","","","","has coordinates","192604","2020-10-21","18:00:00",""
"4125551","18.8485","0.0017","41.389","0.004","26.821","0.003","90","","99.494","0.004","90","","20637","4","100","2","100","","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C197.83 H311.84 B4 Fe4 K8 O9.96 P12 -","- C197.795 H311.68 B4 Fe4 K8 O9.995 P12 -","- C791.18 H1246.72 B16 Fe16 K32 O39.98 P48 -","4","1","","Deegan, Meaghan M.; Peters, Jonas C.","CO Reduction to CH3OSiMe3: Electrophile-Promoted Hydride Migration at a Single Fe Site.","Journal of the American Chemical Society","2017","139","7","2561","2564","10.1021/jacs.6b12444","","","0.71073","MoKα","","0.1605","0.095","","","0.1814","0.2029","","","","","","1.119","","","","has coordinates,has disorder","193518","2020-10-21","18:00:00",""
"4125552","14.965","0.002","19.074","0.003","16.191","0.002","90","","103.987","0.005","90","","4484.6","1.1","100","2","99.97","","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C41 H64.03 B Fe K O2 P3 -","- C41 H64.09 B Fe K O2 P3 -","- C164 H256.36 B4 Fe4 K4 O8 P12 -","4","1","","Deegan, Meaghan M.; Peters, Jonas C.","CO Reduction to CH3OSiMe3: Electrophile-Promoted Hydride Migration at a Single Fe Site.","Journal of the American Chemical Society","2017","139","7","2561","2564","10.1021/jacs.6b12444","","","0.71073","MoKα","","0.1263","0.092","","","0.2679","0.3062","","","","","","1.043","","","","has coordinates,has disorder","193518","2020-10-21","18:00:00",""
"4125553","11.2309","0.0019","23.142","0.004","20.143","0.003","90","","97.191","0.006","90","","5194.1","1.5","100","2","100.01","","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C53 H87 B Fe K O5 P3 -","- C53 H87 B Fe K O5 P3 -","- C212 H348 B4 Fe4 K4 O20 P12 -","4","1","","Deegan, Meaghan M.; Peters, Jonas C.","CO Reduction to CH3OSiMe3: Electrophile-Promoted Hydride Migration at a Single Fe Site.","Journal of the American Chemical Society","2017","139","7","2561","2564","10.1021/jacs.6b12444","","","0.71073","MoKα","","0.071","0.0458","","","0.1097","0.1208","","","","","","1.015","","","","has coordinates,has disorder","193518","2020-10-21","18:00:00",""
"4125554","10.9781","0.0013","15.8664","0.0018","20.543","0.002","90","","103.016","0.004","90","","3486.3","0.7","100","2","99.99","","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C37 H55 B Fe O P3 -","- C37 H55 B Fe O P3 -","- C148 H220 B4 Fe4 O4 P12 -","4","1","","Deegan, Meaghan M.; Peters, Jonas C.","CO Reduction to CH3OSiMe3: Electrophile-Promoted Hydride Migration at a Single Fe Site.","Journal of the American Chemical Society","2017","139","7","2561","2564","10.1021/jacs.6b12444","","","0.71073","MoKα","","0.0322","0.0267","","","0.0682","0.0709","","","","","","1.034","","","","has coordinates","193518","2020-10-21","18:00:00",""
"4125555","10.9056","0.0007","11.3906","0.0007","20.2061","0.0014","78.666","0.002","78.736","0.002","62.016","0.002","2157.9","0.2","100","2","100","","","","","","","","","7","P -1","-P 1","2","","","","- C41.31 H68.26 B Fe O1.32 P3 Si -","- C41.319 H68.295 B Fe O1.326 P3 Si -","- C82.638 H136.59 B2 Fe2 O2.652 P6 Si2 -","2","1","","Deegan, Meaghan M.; Peters, Jonas C.","CO Reduction to CH3OSiMe3: Electrophile-Promoted Hydride Migration at a Single Fe Site.","Journal of the American Chemical Society","2017","139","7","2561","2564","10.1021/jacs.6b12444","","","0.71073","MoKα","","0.1234","0.0716","","","0.1618","0.187","","","","","","1.04","","","","has coordinates,has disorder","193518","2020-10-21","18:00:00",""
"4125556","16.7064","0.0017","13.0153","0.0014","15.7175","0.0017","90","","90","","90","","3417.6","0.6","173","2","173","2","","","","","","","","7","C m c 21","C 2c -2","36","","","","- C38 H35 F4 Fe N2 O2 P -","- C38 H35 F4 Fe N2 O2 P -","- C152 H140 F16 Fe4 N8 O8 P4 -","4","0.5","","Liu, Jian; Hu, Lianrui; Wang, Lei; Chen, Hui; Deng, Liang","An Iron(II) Ylide Complex as A Masked Open-Shell Iron Alkylidene Species in Its Alkylidene-Transfer Reactions with Alkenes.","Journal of the American Chemical Society","2017","","","","","10.1021/jacs.7b00484","","","0.71073","MoKα","","0.0545","0.0445","","","0.1118","0.1184","","","","","","1.019","","","","has coordinates","192606","2020-10-21","18:00:00",""
"4125557","9.3415","0.0011","21.375","0.003","21.794","0.003","90","","90.733","0.002","90","","4351.4","1","130","2","130","","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C55 H47 F4 Fe N2 O P -","- C55 H47 F4 Fe N2 O P -","- C220 H188 F16 Fe4 N8 O4 P4 -","4","1","","Liu, Jian; Hu, Lianrui; Wang, Lei; Chen, Hui; Deng, Liang","An Iron(II) Ylide Complex as A Masked Open-Shell Iron Alkylidene Species in Its Alkylidene-Transfer Reactions with Alkenes.","Journal of the American Chemical Society","2017","","","","","10.1021/jacs.7b00484","","","0.71073","MoKα","","0.1167","0.0742","","","0.1876","0.2232","","","","","","1.025","","","","has coordinates","192606","2020-10-21","18:00:00",""
"4125558","25.597","0.004","15.54","0.002","27.911","0.004","90","","113.193","0.003","90","","10205","3","173","2","173","2","","","","","","","","5","C 1 2/m 1","-C 2y","12","La2c2@C2-C90 Ni(OEP)","La2c2@C2-C90 Ni(OEP)","","- C336 H144 La4 N12 Ni3 -","- C336 H144 La4.002 N12 Ni3 -","- C672 H288 La8.004 N24 Ni6 -","2","0.25","","Zhao, Shasha; Zhao, Pei; Cai, Wenting; Bao, Lipiao; Chen, Muqing; Xie, Yunpeng; Zhao, Xiang; Lu, Xing","Stabilization of Giant Fullerenes C2(41)-C90, D3(85)-C92, C1(132)-C94, C2(157)-C96, and C1(175)-C98 by Encapsulation of a Large La2C2 Cluster: The Importance of Cluster-Cage Matching.","Journal of the American Chemical Society","2017","139","13","4724","4728","10.1021/jacs.6b11970","","","0.71073","MoKα","","0.1601","0.1031","","","0.2806","0.3244","","","","","","1.023","","","","has coordinates,has disorder","197434","2020-10-21","18:00:00",""
"4125559","25.684","0.002","14.9762","0.0012","21.4659","0.0017","90","","97.945","0.002","90","","8177.6","1.1","173","2","173","2","","","","","","","","6","C 1 2/m 1","-C 2y","12","La2c2@D3-C92 Ni(OEP)","La2c2@D3-C92 Ni(OEP)","","- C142 H54 Cl2 La2 N4 Ni -","- C142 H54 Cl2 La2.0002 N4 Ni -","- C568 H216 Cl8 La8.0008 N16 Ni4 -","4","0.5","","Zhao, Shasha; Zhao, Pei; Cai, Wenting; Bao, Lipiao; Chen, Muqing; Xie, Yunpeng; Zhao, Xiang; Lu, Xing","Stabilization of Giant Fullerenes C2(41)-C90, D3(85)-C92, C1(132)-C94, C2(157)-C96, and C1(175)-C98 by Encapsulation of a Large La2C2 Cluster: The Importance of Cluster-Cage Matching.","Journal of the American Chemical Society","2017","139","13","4724","4728","10.1021/jacs.6b11970","","","0.71073","MoKα","","0.0802","0.0572","","","0.1602","0.1824","","","","","","1.049","","","","has coordinates,has disorder","197434","2020-10-21","18:00:00",""
"4125560","14.4951","0.0015","13.7676","0.0014","18.7348","0.0019","90","","106.359","0.003","90","","3587.4","0.6","123","","123","","","","","","","","Cathrin Ertl","8","P 1 21/c 1","-P 2ybc","14","","","","- C35.5 H27 Cl3 F6 Ir N4 P S -","- C34 H24 F6 Ir N4 P S -","- C136 H96 F24 Ir4 N16 P4 S4 -","4","1","","Ertl, Cathrin D.; Momblona, Cristina; Pertegás, Antonio; Junquera-Hernández, José M; La-Placa, Maria-Grazia; Prescimone, Alessandro; Ortí, Enrique; Housecroft, Catherine E.; Constable, Edwin C.; Bolink, Henk J.","Highly Stable Red-Light-Emitting Electrochemical Cells.","Journal of the American Chemical Society","2017","139","8","3237","3248","10.1021/jacs.6b13311","","","1.5418","CuKα","","0.0244","0.0243","","0.0547","0.0546","0.0547","","","","","","0.9999","","","","has coordinates","193486","2020-10-21","18:00:00",""
"4125561","9.3852","0.0003","11.2499","0.0005","21.9773","0.001","90","","92.826","0.003","90","","2317.6","0.17","100","2","100","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","hv-03-203-DCE/heptane","sarpong123","","- C27 H25 N5 O Pd -","- C27 H25 N5 O Pd -","- C108 H100 N20 O4 Pd4 -","4","1","","Viart, Hélène M-F; Bachmann, Andreas; Kayitare, William; Sarpong, Richmond","β-Carboline Amides as Intrinsic Directing Groups for C(sp(2))-H Functionalization.","Journal of the American Chemical Society","2017","139","3","1325","1329","10.1021/jacs.6b12569","","","1.54178","CuKα","","0.0499","0.0364","","","0.0838","0.0893","","","","","","1.041","","","","has coordinates","204147","2020-10-21","18:00:00",""
"4125562","8.3902","0.0004","21.3216","0.0011","13.1829","0.0006","90","","91.952","0.003","90","","2357","0.2","100","","100","","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","((1,4,9,14-tetramethylnaphtho[2',3':3,4]cyclobuta[1,2-b]naphtho[2',3':3,4] cyclobuta[1,2-i]anthracene-7,16-diyl)bis(ethyne-2,1-diyl)) bis(triisopropylsilane)","","- C60 H66 Si2 -","- C60 H66 Si2 -","- C120 H132 Si4 -","2","0.5","","Jin, Zexin; Teo, Yew Chin; Zulaybar, Nicolo G.; Smith, Matthew D.; Xia, Yan","Streamlined Synthesis of Polycyclic Conjugated Hydrocarbons Containing Cyclobutadienoids via C-H Activated Annulation and Aromatization.","Journal of the American Chemical Society","2017","139","5","1806","1809","10.1021/jacs.6b12888","","x-ray","0.7749","","","0.0677","0.0473","","","0.1143","0.124","","","","","","1.018","","","","has coordinates","193496","2020-10-21","18:00:00",""
"4125563","9.1847","0.0004","26.7032","0.0009","9.8011","0.0004","90","","92.742","0.004","90","","2401.07","0.16","176","2","176","2","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C34 H46 Cl2 N8 O7 S5 -","- C34 H46 Cl2 N8 O7 S5 -","- C68 H92 Cl4 N16 O14 S10 -","2","1","","Cao, Jinlian; Yan, Xiaosheng; He, Wenbin; Li, Xiaorui; Li, Zhao; Mo, Yirong; Liu, Maili; Jiang, Yun-Bao","C-I···π Halogen Bonding Driven Supramolecular Helix of Bilateral N-Amidothioureas Bearing β-Turns.","Journal of the American Chemical Society","2017","139","19","6605","6610","10.1021/jacs.6b13171","","","0.71073","MoKα","","0.1461","0.1263","","","0.3341","0.3549","","","","","","1.296","","","","has coordinates","197417","2020-10-21","18:00:00",""
"4125564","10.1456","0.0006","14.9723","0.0008","17.5828","0.0009","65.938","0.005","87.435","0.004","88.087","0.004","2436","0.2","100","2","100","2","","","","","","","","6","P 1","P 1","1","","","","- C36 H28 I2 N8 O8 S6 -","- C36 H28 I2 N8 O8 S6 -","- C72 H56 I4 N16 O16 S12 -","2","2","","Cao, Jinlian; Yan, Xiaosheng; He, Wenbin; Li, Xiaorui; Li, Zhao; Mo, Yirong; Liu, Maili; Jiang, Yun-Bao","C-I···π Halogen Bonding Driven Supramolecular Helix of Bilateral N-Amidothioureas Bearing β-Turns.","Journal of the American Chemical Society","2017","139","19","6605","6610","10.1021/jacs.6b13171","","","1.54184","CuKα","","0.0883","0.0744","","","0.1959","0.2071","","","","","","1.048","","","","has coordinates,has disorder","197417","2020-10-21","18:00:00",""
"4125565","11.9413","0.00017","10.41973","0.00013","10.43","0.0002","90","","98.2799","0.0017","90","","1284.23","0.04","99.9","0.4","99.9","0.4","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C12 H22 N2 Se -","- C12 H22 N2 Se -","- C48 H88 N8 Se4 -","4","1","","Campos, Michael P.; Hendricks, Mark P.; Beecher, Alexander N.; Walravens, Willem; Swain, Robert A.; Cleveland, Gregory T.; Hens, Zeger; Sfeir, Matthew Y.; Owen, Jonathan S.","A Library of Selenourea Precursors to PbSe Nanocrystals with Size Distributions near the Homogeneous Limit.","Journal of the American Chemical Society","2017","139","6","2296","2305","10.1021/jacs.6b11021","","x-ray","1.54184","CuKα","","0.0561","0.0508","","","0.1296","0.1349","","","","","","1.029","","","","has coordinates","193512","2020-10-21","18:00:00",""
"4125566","6.2032","0.0002","9.9913","0.0005","17.2951","0.0007","90","","92.004","0.004","90","","1071.26","0.08","100","2","100.15","","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C9 H18 N2 Se -","- C9 H18 N2 Se -","- C36 H72 N8 Se4 -","4","1","","Campos, Michael P.; Hendricks, Mark P.; Beecher, Alexander N.; Walravens, Willem; Swain, Robert A.; Cleveland, Gregory T.; Hens, Zeger; Sfeir, Matthew Y.; Owen, Jonathan S.","A Library of Selenourea Precursors to PbSe Nanocrystals with Size Distributions near the Homogeneous Limit.","Journal of the American Chemical Society","2017","139","6","2296","2305","10.1021/jacs.6b11021","","x-ray","0.71073","MoKα","","0.0474","0.035","","","0.0602","0.0639","","","","","","1.076","","","","has coordinates","193512","2020-10-21","18:00:00",""
"4125567","11.35852","0.00009","12.23104","0.00006","11.94506","0.00011","90","","117.123","0.0011","90","","1476.99","0.02","100","","100","","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C13 H26 N2 Se -","- C13 H26 N2 Se -","- C52 H104 N8 Se4 -","4","1","","Campos, Michael P.; Hendricks, Mark P.; Beecher, Alexander N.; Walravens, Willem; Swain, Robert A.; Cleveland, Gregory T.; Hens, Zeger; Sfeir, Matthew Y.; Owen, Jonathan S.","A Library of Selenourea Precursors to PbSe Nanocrystals with Size Distributions near the Homogeneous Limit.","Journal of the American Chemical Society","2017","139","6","2296","2305","10.1021/jacs.6b11021","","x-ray","1.54184","CuKα","","0.0184","0.0183","","","0.0469","0.047","","","","","","1.076","","","","has coordinates","193512","2020-10-21","18:00:00",""
"4125568","11.934","0.0003","9.8566","0.0003","11.2837","0.0003","90","","90","","90","","1327.29","0.06","100","2","100","","","","","","","","","4","P c a 21","P 2c -2ac","29","","","","- C11 H22 N2 Se -","- C11 H22 N2 Se -","- C44 H88 N8 Se4 -","4","1","","Campos, Michael P.; Hendricks, Mark P.; Beecher, Alexander N.; Walravens, Willem; Swain, Robert A.; Cleveland, Gregory T.; Hens, Zeger; Sfeir, Matthew Y.; Owen, Jonathan S.","A Library of Selenourea Precursors to PbSe Nanocrystals with Size Distributions near the Homogeneous Limit.","Journal of the American Chemical Society","2017","139","6","2296","2305","10.1021/jacs.6b11021","","x-ray","0.71073","MoKα","","0.0457","0.0344","","","0.0583","0.0616","","","","","","1.08","","","","has coordinates","193512","2020-10-21","18:00:00",""
"4125569","10.16777","0.00007","13.46789","0.0001","10.1804","0.0001","90","","90","","90","","1394.09","0.02","100","0.3","100","0.3","","","","","","","","4","P n a 21","P 2c -2n","33","","","","- C13 H22 N2 Se -","- C13 H22 N2 Se -","- C52 H88 N8 Se4 -","4","1","","Campos, Michael P.; Hendricks, Mark P.; Beecher, Alexander N.; Walravens, Willem; Swain, Robert A.; Cleveland, Gregory T.; Hens, Zeger; Sfeir, Matthew Y.; Owen, Jonathan S.","A Library of Selenourea Precursors to PbSe Nanocrystals with Size Distributions near the Homogeneous Limit.","Journal of the American Chemical Society","2017","139","6","2296","2305","10.1021/jacs.6b11021","","x-ray","1.54184","CuKα","","0.03","0.0299","","","0.0804","0.0805","","","","","","1.088","","","","has coordinates","193512","2020-10-21","18:00:00",""
"4125570","10.58561","0.00017","10.51744","0.00017","9.66073","0.00016","90","","96.1599","0.0015","90","","1069.35","0.03","100","2","100","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C9 H18 N2 Se -","- C9 H18 N2 Se -","- C36 H72 N8 Se4 -","4","1","","Campos, Michael P.; Hendricks, Mark P.; Beecher, Alexander N.; Walravens, Willem; Swain, Robert A.; Cleveland, Gregory T.; Hens, Zeger; Sfeir, Matthew Y.; Owen, Jonathan S.","A Library of Selenourea Precursors to PbSe Nanocrystals with Size Distributions near the Homogeneous Limit.","Journal of the American Chemical Society","2017","139","6","2296","2305","10.1021/jacs.6b11021","","x-ray","0.71073","MoKα","","0.0291","0.0238","","","0.0489","0.0507","","","","","","1.068","","","","has coordinates","193512","2020-10-21","18:00:00",""
"4125571","9.1761","0.0003","10.9659","0.0003","23.4534","0.0008","90","","90","","90","","2359.98","0.13","100","2","100.15","","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C11 H20 N2 Se -","- C11 H20 N2 Se -","- C88 H160 N16 Se8 -","8","1","","Campos, Michael P.; Hendricks, Mark P.; Beecher, Alexander N.; Walravens, Willem; Swain, Robert A.; Cleveland, Gregory T.; Hens, Zeger; Sfeir, Matthew Y.; Owen, Jonathan S.","A Library of Selenourea Precursors to PbSe Nanocrystals with Size Distributions near the Homogeneous Limit.","Journal of the American Chemical Society","2017","139","6","2296","2305","10.1021/jacs.6b11021","","x-ray","0.71073","MoKα","","0.0555","0.0399","","","0.0589","0.062","","","","","","1.139","","","","has coordinates","193512","2020-10-21","18:00:00",""
"4125572","20.94407","0.00019","9.68682","0.0001","6.187","0.00006","90","","90","","90","","1255.23","0.02","99.9","0.4","99.9","0.4","","","","","","","","4","P n a 21","P 2c -2n","33","","","","- C11 H22 N2 Se -","- C11 H22 N2 Se -","- C44 H88 N8 Se4 -","4","1","","Campos, Michael P.; Hendricks, Mark P.; Beecher, Alexander N.; Walravens, Willem; Swain, Robert A.; Cleveland, Gregory T.; Hens, Zeger; Sfeir, Matthew Y.; Owen, Jonathan S.","A Library of Selenourea Precursors to PbSe Nanocrystals with Size Distributions near the Homogeneous Limit.","Journal of the American Chemical Society","2017","139","6","2296","2305","10.1021/jacs.6b11021","","x-ray","1.54184","CuKα","","0.04","0.0394","","","0.099","0.1001","","","","","","1.034","","","","has coordinates","193512","2020-10-21","18:00:00",""
"4125573","11.4233","0.00009","10.80265","0.00008","18.95402","0.00015","90","","90","","90","","2338.96","0.03","100","0.4","100","0.4","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C10 H20 N2 Se -","- C10 H20 N2 Se -","- C80 H160 N16 Se8 -","8","1","","Campos, Michael P.; Hendricks, Mark P.; Beecher, Alexander N.; Walravens, Willem; Swain, Robert A.; Cleveland, Gregory T.; Hens, Zeger; Sfeir, Matthew Y.; Owen, Jonathan S.","A Library of Selenourea Precursors to PbSe Nanocrystals with Size Distributions near the Homogeneous Limit.","Journal of the American Chemical Society","2017","139","6","2296","2305","10.1021/jacs.6b11021","","x-ray","1.54184","CuKα","","0.0395","0.0377","","","0.1017","0.104","","","","","","1.079","","","","has coordinates","193512","2020-10-21","18:00:00",""
"4125574","13.4556","0.0014","20.0405","0.0006","6.243","0.002","90","","90","","90","","1683.5","0.6","130","2","130","2","","","","","","","","4","P n a 21","P 2c -2n","33","","","","- C15 H30 N2 Se -","- C15 H30 N2 Se -","- C60 H120 N8 Se4 -","4","1","","Campos, Michael P.; Hendricks, Mark P.; Beecher, Alexander N.; Walravens, Willem; Swain, Robert A.; Cleveland, Gregory T.; Hens, Zeger; Sfeir, Matthew Y.; Owen, Jonathan S.","A Library of Selenourea Precursors to PbSe Nanocrystals with Size Distributions near the Homogeneous Limit.","Journal of the American Chemical Society","2017","139","6","2296","2305","10.1021/jacs.6b11021","","","0.71073","MoKα","","0.039","0.0303","","","0.0677","0.0702","","","","","","1.028","","","","has coordinates,has disorder","193512","2020-10-21","18:00:00",""
"4125575","11.4123","0.0003","9.6891","0.0002","9.83","0.0002","90","","95.698","0.002","90","","1081.58","0.04","100","","100","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C9 H18 N2 Se -","- C9 H18 N2 Se -","- C36 H72 N8 Se4 -","4","1","","Campos, Michael P.; Hendricks, Mark P.; Beecher, Alexander N.; Walravens, Willem; Swain, Robert A.; Cleveland, Gregory T.; Hens, Zeger; Sfeir, Matthew Y.; Owen, Jonathan S.","A Library of Selenourea Precursors to PbSe Nanocrystals with Size Distributions near the Homogeneous Limit.","Journal of the American Chemical Society","2017","139","6","2296","2305","10.1021/jacs.6b11021","","x-ray","0.71073","MoKα","","0.0365","0.0294","","","0.0612","0.0635","","","","","","1.079","","","","has coordinates","193512","2020-10-21","18:00:00",""
"4125576","5.4557","0.0002","12.6064","0.0003","11.1113","0.0003","90","","94.681","0.003","90","","761.65","0.04","200","0.1","200","0.1","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C5 H12 N2 Se -","- C5 H12 N2 Se -","- C20 H48 N8 Se4 -","4","0.5","","Campos, Michael P.; Hendricks, Mark P.; Beecher, Alexander N.; Walravens, Willem; Swain, Robert A.; Cleveland, Gregory T.; Hens, Zeger; Sfeir, Matthew Y.; Owen, Jonathan S.","A Library of Selenourea Precursors to PbSe Nanocrystals with Size Distributions near the Homogeneous Limit.","Journal of the American Chemical Society","2017","139","6","2296","2305","10.1021/jacs.6b11021","","x-ray","1.54184","CuKα","","0.0432","0.0423","","","0.1099","0.1112","","","","","","1.086","","","","has coordinates","193512","2020-10-21","18:00:00",""
"4125577","14.2487","0.0005","6.0376","0.00015","17.5143","0.0005","90","","95.262","0.003","90","","1500.37","0.08","99.9","0.4","99.9","0.4","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C16 H22 N2 Se -","- C16 H22 N2 Se -","- C64 H88 N8 Se4 -","4","1","","Campos, Michael P.; Hendricks, Mark P.; Beecher, Alexander N.; Walravens, Willem; Swain, Robert A.; Cleveland, Gregory T.; Hens, Zeger; Sfeir, Matthew Y.; Owen, Jonathan S.","A Library of Selenourea Precursors to PbSe Nanocrystals with Size Distributions near the Homogeneous Limit.","Journal of the American Chemical Society","2017","139","6","2296","2305","10.1021/jacs.6b11021","","x-ray","1.54184","CuKα","","0.053","0.0475","","","0.1264","0.1308","","","","","","1.09","","","","has coordinates","193512","2020-10-21","18:00:00",""
"4125578","6.22247","0.0001","10.03939","0.00018","15.0636","0.0002","90","","100.345","0.0015","90","","925.72","0.03","100","2","100","","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C7 H16 N2 Se -","- C7 H16 N2 Se -","- C28 H64 N8 Se4 -","4","1","","Campos, Michael P.; Hendricks, Mark P.; Beecher, Alexander N.; Walravens, Willem; Swain, Robert A.; Cleveland, Gregory T.; Hens, Zeger; Sfeir, Matthew Y.; Owen, Jonathan S.","A Library of Selenourea Precursors to PbSe Nanocrystals with Size Distributions near the Homogeneous Limit.","Journal of the American Chemical Society","2017","139","6","2296","2305","10.1021/jacs.6b11021","","x-ray","0.71073","MoKα","","0.0262","0.0216","","","0.0451","0.0465","","","","","","1.062","","","","has coordinates","193512","2020-10-21","18:00:00",""
"4125579","24.2552","0.0005","9.97679","0.00019","10.9577","0.0002","90","","102.715","0.002","90","","2586.62","0.09","100","","100.15","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C12 H22 N2 Se -","- C12 H22 N2 Se -","- C96 H176 N16 Se8 -","8","2","","Campos, Michael P.; Hendricks, Mark P.; Beecher, Alexander N.; Walravens, Willem; Swain, Robert A.; Cleveland, Gregory T.; Hens, Zeger; Sfeir, Matthew Y.; Owen, Jonathan S.","A Library of Selenourea Precursors to PbSe Nanocrystals with Size Distributions near the Homogeneous Limit.","Journal of the American Chemical Society","2017","139","6","2296","2305","10.1021/jacs.6b11021","","x-ray","1.54184","CuKα","","0.0342","0.0329","","","0.0842","0.086","","","","","","1.116","","","","has coordinates","193512","2020-10-21","18:00:00",""
"4125580","13.8039","0.0004","10.8191","0.0003","19.1497","0.0006","90","","105.025","0.001","90","","2762.15","0.14","100","2","100","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C24 H50 N2 Ni Si2 -","- C24 H50 N2 Ni Si2 -","- C96 H200 N8 Ni4 Si8 -","4","1","","Palmer, W. Neil; Zarate, Cayetana; Chirik, Paul J.","Benzyltriboronates: Building Blocks for Diastereoselective Carbon-Carbon Bond Formation.","Journal of the American Chemical Society","2017","139","7","2589","2592","10.1021/jacs.6b12896","","","0.71073","MoKα","","0.0422","0.0344","","","0.0875","0.0928","","","","","","1.072","","","","has coordinates","193519","2020-10-21","18:00:00",""
"4125581","10.3974","0.0006","11.1012","0.0006","15.5433","0.0008","71.692","0.002","80.489","0.002","64.912","0.002","1541.49","0.15","100","2","100","2","","","","","","","","4","P -1","-P 1","2","","","","- C32 H56 N4 Ni -","- C32 H56 N4 Ni -","- C64 H112 N8 Ni2 -","2","1","","Palmer, W. Neil; Zarate, Cayetana; Chirik, Paul J.","Benzyltriboronates: Building Blocks for Diastereoselective Carbon-Carbon Bond Formation.","Journal of the American Chemical Society","2017","139","7","2589","2592","10.1021/jacs.6b12896","","","0.71073","MoKα","","0.1178","0.0905","","","0.218","0.2338","","","","","","1.031","","","","has coordinates","193519","2020-10-21","18:00:00",""
"4125582","10.7916","0.0006","12.1449","0.0007","19.7733","0.0011","90","","91.615","0.002","90","","2590.5","0.3","100","2","100","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C25 H40 B2 O6 -","- C25 H40 B2 O6 -","- C100 H160 B8 O24 -","4","1","","Palmer, W. Neil; Zarate, Cayetana; Chirik, Paul J.","Benzyltriboronates: Building Blocks for Diastereoselective Carbon-Carbon Bond Formation.","Journal of the American Chemical Society","2017","139","7","2589","2592","10.1021/jacs.6b12896","","","1.54178","CuKα","","0.0593","0.0569","","","0.1497","0.153","","","","","","0.889","","","","has coordinates,has disorder","193519","2020-10-21","18:00:00",""
"4125583","38.3946","0.0017","10.3577","0.0004","17.4348","0.0007","90","","115.662","0.002","90","","6249.6","0.5","100","2","100","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C32 H45 B2 F O6 -","- C32 H45 B2 F O6 -","- C256 H360 B16 F8 O48 -","8","1","","Palmer, W. Neil; Zarate, Cayetana; Chirik, Paul J.","Benzyltriboronates: Building Blocks for Diastereoselective Carbon-Carbon Bond Formation.","Journal of the American Chemical Society","2017","139","7","2589","2592","10.1021/jacs.6b12896","","","1.54178","CuKα","","0.0436","0.0397","","","0.1122","0.1249","","","","","","1.062","","","","has coordinates,has disorder","193519","2020-10-21","18:00:00",""
"4125584","8.3942","0.0013","19.545","0.003","19.698","0.003","90","","94.203","0.002","90","","3223.1","0.9","93","","93","","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","","","- C37 H48 Si2 -","- C37 H48 Si2 -","- C148 H192 Si8 -","4","1","","Shintani, Ryo; Misawa, Nana; Tsuda, Tomohiro; Iino, Ryo; Fujii, Mikiya; Yamashita, Koichi; Nozaki, Kyoko","Synthesis of Quinoidal Fused Oligosiloles by Rhodium-Catalyzed Stitching Reaction and Theoretical Investigation of Their Properties.","Journal of the American Chemical Society","2017","","","","","10.1021/jacs.7b00344","","","0.71075","MoKα","","0.0569","0.0477","","","0.124","0.1316","","","","","","1.097","","","","has coordinates","192630","2020-10-21","18:00:00",""
"4125585","11.8978","0.0007","19.8913","0.0011","41.593","0.003","90","","90","","90","","9843.5","1.1","93","","93","","","","","","","","","3","P b c a","-P 2ac 2ab","61","","","","- C53 H76 Si4 -","- C53 H76 Si4 -","- C424 H608 Si32 -","8","1","","Shintani, Ryo; Misawa, Nana; Tsuda, Tomohiro; Iino, Ryo; Fujii, Mikiya; Yamashita, Koichi; Nozaki, Kyoko","Synthesis of Quinoidal Fused Oligosiloles by Rhodium-Catalyzed Stitching Reaction and Theoretical Investigation of Their Properties.","Journal of the American Chemical Society","2017","","","","","10.1021/jacs.7b00344","","","0.71075","MoKα","","0.082","0.0796","","","0.1832","0.1852","","","","","","1.212","","","","has coordinates,has disorder","192631","2020-10-21","18:00:00",""
"4125586","12.8836","0.0004","17.8107","0.0005","21.6813","0.0007","95.049","0.001","106.674","0.001","95.903","0.001","4704.5","0.3","193","2","193","2","","","","","","","","7","P -1","-P 1","2","","","","- C90 H111 Au B F24 P3 Pt -","- C90.0005 H111 Au B F24.001 P3 Pt -","- C180.001 H222 Au2 B2 F48.002 P6 Pt2 -","2","1","","Campos, Jesús","Dihydrogen and Acetylene Activation by a Gold(I)/Platinum(0) Transition Metal Only Frustrated Lewis Pair.","Journal of the American Chemical Society","2017","139","8","2944","2947","10.1021/jacs.7b00491","","","0.71073","MoKα","","0.094","0.0498","","","0.1069","0.1271","","","","","","1.03","","","","has coordinates,has disorder","193487","2020-10-21","18:00:00",""
"4125587","17.7729","0.0005","18.5761","0.0006","22.1488","0.0007","90","","103.537","0.001","90","","7109.3","0.4","193","2","193","2","","","","","","","","9","C 1 c 1","C -2yc","9","","","","- C64 H103 Au F6 N O4 P3 Pt S2 -","- C64 H103 Au F6 N O4 P3 Pt S2 -","- C256 H412 Au4 F24 N4 O16 P12 Pt4 S8 -","4","1","","Campos, Jesús","Dihydrogen and Acetylene Activation by a Gold(I)/Platinum(0) Transition Metal Only Frustrated Lewis Pair.","Journal of the American Chemical Society","2017","139","8","2944","2947","10.1021/jacs.7b00491","","","0.71073","MoKα","","0.0309","0.0288","","","0.0718","0.0731","","","","","","1.022","","","","has coordinates,has disorder","193487","2020-10-21","18:00:00",""
"4125588","26.743","0.0006","12.8498","0.0003","20.3054","0.0005","90","","107.367","0.001","90","","6659.7","0.3","193","2","193","2","","","","","","","","9","P 1 21/c 1","-P 2ybc","14","","","","- C60 H99 Au F6 N O4 P3 Pt S2 -","- C60 H99 Au F6 N O4 P3 Pt S2 -","- C240 H396 Au4 F24 N4 O16 P12 Pt4 S8 -","4","1","","Campos, Jesús","Dihydrogen and Acetylene Activation by a Gold(I)/Platinum(0) Transition Metal Only Frustrated Lewis Pair.","Journal of the American Chemical Society","2017","139","8","2944","2947","10.1021/jacs.7b00491","","","0.71073","MoKα","","0.0765","0.0489","","","0.1442","0.1809","","","","","","0.942","","","","has coordinates,has disorder","193487","2020-10-21","18:00:00",""
"4125589","9.5002","0.0002","12.7386","0.0003","16.6006","0.0004","90","","90.605","0.001","90","","2008.88","0.08","100","2","100","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C23 H26 N2 O Si -","- C23 H26 N2 O Si -","- C92 H104 N8 O4 Si4 -","4","2","","Gribble, Jr, Michael W; Pirnot, Michael T.; Bandar, Jeffrey S.; Liu, Richard Y.; Buchwald, Stephen L.","Asymmetric Copper Hydride-Catalyzed Markovnikov Hydrosilylation of Vinylarenes and Vinyl Heterocycles.","Journal of the American Chemical Society","2017","139","6","2192","2195","10.1021/jacs.6b13029","","","1.54178","CuKα","","0.0308","0.0307","","","0.0834","0.0835","","","","","","1.034","","","","has coordinates,has disorder","193513","2020-10-21","18:00:00",""
"4125590","27.2965","0.0007","27.2965","0.0007","16.2071","0.0006","90","","90","","120","","10458","0.5","100","2","100","2","","","","","","","","5","R -3","-R 3","148","","","","- C23 H29 B F4 O2 -","- C23 H29 B F4 O2 -","- C414 H522 B18 F72 O36 -","18","","","Lange, Ralph Z.; Hofer, Gregor; Weber, Thomas; Schlüter, A Dieter","A Two-Dimensional Polymer Synthesized through Topochemical [2 + 2]-Cycloaddition on the Multigram Scale.","Journal of the American Chemical Society","2017","139","5","2053","2059","10.1021/jacs.6b11857","","","0.6935","Synchrotron","","0.1938","0.1724","","","0.5211","0.5422","","","","","","2.136","","","","has coordinates,has disorder","193497","2020-10-21","18:00:00",""
"4125591","10.248","0.0006","15.0433","0.0008","16.9963","0.0008","85.397","0.005","82.509","0.005","87.759","0.006","2588.4","0.2","100","","100","","","","","","","","","2","P -1","-P 1","2","","Title","","- C38 H24 -","- C38 H24 -","- C152 H96 -","4","2","","González-Fernández, Elisa; Nicholls, Leo D. M.; Schaaf, Lukas D.; Farès, Christophe; Lehmann, Christian W.; Alcarazo, Manuel","Enantioselective Synthesis of [6]Carbohelicenes.","Journal of the American Chemical Society","2017","139","4","1428","1431","10.1021/jacs.6b12443","","","0.71073","MoKα","","0.0749","0.0514","","","0.1265","0.1416","","","","","","1.087","","","","has coordinates","193503","2020-10-21","18:00:00",""
"4125592","9.6273","0.0014","9.6571","0.0014","14.569","0.002","106.794","0.002","91.195","0.003","104.193","0.002","1251","0.3","100","","100","","","","","","","","dichlormethane","2","P -1","-P 1","2","","Title","","- C38 H24 -","- C38 H24 -","- C76 H48 -","2","1","","González-Fernández, Elisa; Nicholls, Leo D. M.; Schaaf, Lukas D.; Farès, Christophe; Lehmann, Christian W.; Alcarazo, Manuel","Enantioselective Synthesis of [6]Carbohelicenes.","Journal of the American Chemical Society","2017","139","4","1428","1431","10.1021/jacs.6b12443","","","0.71073","Mo-Kα","","0.0697","0.0604","","","0.1637","0.1728","","","","","","1.02","","","","has coordinates","193503","2020-10-21","18:00:00",""
"4125593","8.5356","0.0011","15.5623","0.0019","13.664","0.0017","90","","98.38","0.003","90","","1795.7","0.4","100","","100","","","","","","","","toluole","2","P 1 21/c 1","-P 2ybc","14","","Title","","- C28 H20 -","- C28 H20 -","- C112 H80 -","4","1","","González-Fernández, Elisa; Nicholls, Leo D. M.; Schaaf, Lukas D.; Farès, Christophe; Lehmann, Christian W.; Alcarazo, Manuel","Enantioselective Synthesis of [6]Carbohelicenes.","Journal of the American Chemical Society","2017","139","4","1428","1431","10.1021/jacs.6b12443","","","0.71073","Mo-Kα","","0.07","0.0471","","","0.1181","0.132","","","","","","1.025","","","","has coordinates","193503","2020-10-21","18:00:00",""
"4125594","15.0339","0.0009","12.9751","0.0007","21.9518","0.0013","90","","93.558","0.004","90","","4273.8","0.4","100","2","100","2","","","","","","","","9","P 1 21/c 1","-P 2ybc","14","","","","- C39 H57 F3 Fe N O3 P3 S Si -","- C39 H57 F3 Fe N O3 P3 S Si -","- C156 H228 F12 Fe4 N4 O12 P12 S4 Si4 -","4","1","","Rittle, Jonathan; Peters, Jonas C.","N-H Bond Dissociation Enthalpies and Facile H Atom Transfers for Early Intermediates of Fe-N2 and Fe-CN Reductions.","Journal of the American Chemical Society","2017","139","8","3161","3170","10.1021/jacs.6b12861","","","0.71073","MoKα","","0.068","0.0461","","","0.0844","0.092","","","","","","1.032","","","","has coordinates","193488","2020-10-21","18:00:00",""
"4125595","12.6721","0.0016","16.407","0.002","19.169","0.002","106.503","0.005","99.988","0.005","100.24","0.005","3653","0.8","100","2","100","2","","","","","","","","9","P -1","-P 1","2","","","","- C70.5 H71 B F24 Fe N O P3 Si -","- C70.5 H71 B F24 Fe N O P3 Si -","- C141 H142 B2 F48 Fe2 N2 O2 P6 Si2 -","2","1","","Rittle, Jonathan; Peters, Jonas C.","N-H Bond Dissociation Enthalpies and Facile H Atom Transfers for Early Intermediates of Fe-N2 and Fe-CN Reductions.","Journal of the American Chemical Society","2017","139","8","3161","3170","10.1021/jacs.6b12861","","","0.71073","MoKα","","0.0846","0.0491","","","0.1195","0.1338","","","","","","1.027","","","","has coordinates,has disorder","193488","2020-10-21","18:00:00",""
"4125596","17.19","0.0012","17.7939","0.0012","16.5123","0.0011","90","","97.288","0.004","90","","5009.9","0.6","100","2","100","2","","","","","","","","9","P 1 21/c 1","-P 2ybc","14","","","","- C46 H72.07 F3 Fe N2 O5 P3 S Si -","- C46 H72.064 F3 Fe N2 O5 P3 S Si -","- C184 H288.256 F12 Fe4 N8 O20 P12 S4 Si4 -","4","1","","Rittle, Jonathan; Peters, Jonas C.","N-H Bond Dissociation Enthalpies and Facile H Atom Transfers for Early Intermediates of Fe-N2 and Fe-CN Reductions.","Journal of the American Chemical Society","2017","139","8","3161","3170","10.1021/jacs.6b12861","","","0.71073","MoKα","","0.1104","0.0607","","","0.1201","0.1385","","","","","","1.028","","","","has coordinates,has disorder","193488","2020-10-21","18:00:00",""
"4125597","10.53","0.002","10.877","0.002","18.902","0.004","74.62","0.03","88.11","0.03","61.95","0.03","1831.5","0.9","100","2","100","2","","","","","","","","6","P -1","-P 1","2","","","","- C38 H57 Fe N P3 Si -","- C38 H57 Fe N P3 Si -","- C76 H114 Fe2 N2 P6 Si2 -","2","1","","Rittle, Jonathan; Peters, Jonas C.","N-H Bond Dissociation Enthalpies and Facile H Atom Transfers for Early Intermediates of Fe-N2 and Fe-CN Reductions.","Journal of the American Chemical Society","2017","139","8","3161","3170","10.1021/jacs.6b12861","","","0.71073","MoKα","","0.0938","0.0533","","","0.0997","0.1109","","","","","","1.066","","","","has coordinates","193488","2020-10-21","18:00:00",""
"4125598","12.9953","0.0009","14.3232","0.001","20.006","0.0013","88.513","0.002","73.783","0.002","87.956","0.003","3572.9","0.4","100","2","100","2","","","","","","","","8","P -1","-P 1","2","","","","- C70 H69.64 B F24 Fe N P3 Si -","- C70 H69.65 B F24 Fe N P3 Si -","- C140 H139.3 B2 F48 Fe2 N2 P6 Si2 -","2","1","","Rittle, Jonathan; Peters, Jonas C.","N-H Bond Dissociation Enthalpies and Facile H Atom Transfers for Early Intermediates of Fe-N2 and Fe-CN Reductions.","Journal of the American Chemical Society","2017","139","8","3161","3170","10.1021/jacs.6b12861","","","0.71073","MoKα","","0.0646","0.0485","","","0.1068","0.1148","","","","","","1.02","","","","has coordinates,has disorder","193488","2020-10-21","18:00:00",""
"4125599","13.5","0.0008","20.6046","0.0012","43.205","0.003","90","","96.475","0.001","90","","11941.3","1.3","240","","240","","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","","","- C130 H165 O20 -","- C130 H165 O20 -","- C520 H660 O80 -","4","1","","Jie, Kecheng; Liu, Ming; Zhou, Yujuan; Little, Marc A.; Bonakala, Satyanarayana; Chong, Samantha Y.; Stephenson, Andrew; Chen, Linjiang; Huang, Feihe; Cooper, Andrew I.","Styrene Purification by Guest-Induced Restructuring of Pillar[6]arene.","Journal of the American Chemical Society","2017","139","8","2908","2911","10.1021/jacs.6b13300","","x-ray","0.71073","MoKα","","0.1234","0.0865","","","0.2383","0.284","","","","","","1.045","","","","has coordinates,has disorder","193489","2020-10-21","18:00:00",""
"4125600","17.6487","0.0016","20.6724","0.0019","18.2635","0.0014","90","","90","","90","","6663.3","1","173","2","173","2","","","","","","","","6","P c a 21","P 2c -2ac","29","","","","- C76 H70 F12 N6 P2 Ru -","- C66 H46 F12 N6 P2 Ru -","- C264 H184 F48 N24 P8 Ru4 -","4","1","","Van Raden, Jeff M.; Louie, Shayan; Zakharov, Lev N.; Jasti, Ramesh","2,2'-Bipyridyl-Embedded Cycloparaphenylenes as a General Strategy To Investigate Nanohoop-Based Coordination Complexes.","Journal of the American Chemical Society","2017","139","8","2936","2939","10.1021/jacs.7b00359","","","1.54178","CuKα","","0.1629","0.1194","","","0.3092","0.3449","","","","","","1.031","","","","has coordinates","193490","2020-10-21","18:00:00",""
"4125601","6.48052","0.0001","9.6387","0.00012","27.4697","0.0003","90","","90","","90","","1715.86","0.04","293","2","293","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C17 H24 B N O2 -","- C17 H24 B N O2 -","- C68 H96 B4 N4 O8 -","4","1","","Yang, Ji-Min; Li, Zi-Qi; Li, Mao-Lin; He, Qiao; Zhu, Shou-Fei; Zhou, Qi-Lin","Catalytic B-H Bond Insertion Reactions Using Alkynes as Carbene Precursors.","Journal of the American Chemical Society","2017","","","","","10.1021/jacs.6b13168","","x-ray","1.54184","CuKα","","0.0373","0.0368","","","0.1059","0.1065","","","","","","1.029","","","","has coordinates","192795","2020-10-21","18:00:00",""
"4125602","7.1989","0.0004","13.6873","0.0007","20.8737","0.0011","90","","99.784","0.001","90","","2026.84","0.19","100","2","100","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C18 H31 B2 N O4 -","- C18 H31 B2 N O4 -","- C72 H124 B8 N4 O16 -","4","1","","Krautwald, Simon; Bezdek, Máté J; Chirik, Paul J.","Cobalt-Catalyzed 1,1-Diboration of Terminal Alkynes: Scope, Mechanism, and Synthetic Applications.","Journal of the American Chemical Society","2017","","","","","10.1021/jacs.7b00445","","","1.54178","CuKα","","0.0487","0.0468","","","0.1221","0.1239","","","","","","1.054","","","","has coordinates","192796","2020-10-21","18:00:00",""
"4125603","21.4113","0.0011","31.6045","0.0017","15.1469","0.0007","90","","129.604","0.002","90","","7897.2","0.7","100","2","100","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C31 H48 B3 N O8 -","- C31 H48 B3 N O8 -","- C248 H384 B24 N8 O64 -","8","1","","Krautwald, Simon; Bezdek, Máté J; Chirik, Paul J.","Cobalt-Catalyzed 1,1-Diboration of Terminal Alkynes: Scope, Mechanism, and Synthetic Applications.","Journal of the American Chemical Society","2017","","","","","10.1021/jacs.7b00445","","","0.71073","MoKα","","0.0835","0.0589","","","0.1541","0.1712","","","","","","1.042","","","","has coordinates,has disorder","192796","2020-10-21","18:00:00",""
"4125604","7.71","0.0005","12.4937","0.0008","12.6031","0.0008","78.548","0.002","76.619","0.002","78.343","0.002","1141.92","0.13","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","","","- C24 H34 B2 N2 O2 -","- C24 H34 B2 N2 O2 -","- C48 H68 B4 N4 O4 -","2","1","","Krautwald, Simon; Bezdek, Máté J; Chirik, Paul J.","Cobalt-Catalyzed 1,1-Diboration of Terminal Alkynes: Scope, Mechanism, and Synthetic Applications.","Journal of the American Chemical Society","2017","","","","","10.1021/jacs.7b00445","","","0.71073","MoKα","","0.0677","0.0511","","","0.1297","0.1397","","","","","","1.029","","","","has coordinates","192796","2020-10-21","18:00:00",""
"4125605","10.6307","0.0004","19.8075","0.0007","21.18","0.0007","90","","93.431","0.001","90","","4451.8","0.3","100","2","100","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C41 H66 B2 Co N3 O4 -","- C41 H66 B2 Co N3 O4 -","- C164 H264 B8 Co4 N12 O16 -","4","1","","Krautwald, Simon; Bezdek, Máté J; Chirik, Paul J.","Cobalt-Catalyzed 1,1-Diboration of Terminal Alkynes: Scope, Mechanism, and Synthetic Applications.","Journal of the American Chemical Society","2017","","","","","10.1021/jacs.7b00445","","","1.54178","CuKα","","0.0401","0.0381","","","0.1041","0.1059","","","","","","1.053","","","","has coordinates","192796","2020-10-21","18:00:00",""
"4125606","27.9766","0.0016","14.3756","0.0008","15.383","0.0009","90","","106.165","0.001","90","","5942.1","0.6","100","2","103","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C34 H30 F5 Ni O3 P -","- C34 H29.3 F5 Ni O3 P -","- C272 H234.4 F40 Ni8 O24 P8 -","8","1","","Xin, Bruce S.; Sato, Naomasa; Tanna, Akio; Oishi, Yasuo; Konishi, Yohei; Shimizu, Fumihiko","Nickel Catalyzed Copolymerization of Ethylene and Alkyl Acrylates.","Journal of the American Chemical Society","2017","","","","","10.1021/jacs.6b13051","","","0.71073","MoKα","","0.0607","0.0418","","","0.1053","0.1169","","","","","","1.014","","","","has coordinates","192797","2020-10-21","18:00:00",""
"4125607","13.2492","0.0015","14.8158","0.0017","14.8397","0.0016","116.378","0.002","112.863","0.002","95.311","0.002","2277.2","0.4","100","","100","","","","","","","","","6","P -1","-P 1","2","","","","- C51 H49 F5 Ni O5 P -","- C51 H49 F5 Ni O5 P -","- C102 H98 F10 Ni2 O10 P2 -","2","1","","Xin, Bruce S.; Sato, Naomasa; Tanna, Akio; Oishi, Yasuo; Konishi, Yohei; Shimizu, Fumihiko","Nickel Catalyzed Copolymerization of Ethylene and Alkyl Acrylates.","Journal of the American Chemical Society","2017","","","","","10.1021/jacs.6b13051","","","0.71073","MoKα","","0.0931","0.053","","","0.1319","0.1551","","","","","","1.02","","","","has coordinates,has disorder","192797","2020-10-21","18:00:00",""
"4125608","9.1272","0.0003","21.5044","0.0007","23.2601","0.0008","88.205","0.002","88.653","0.002","88.317","0.002","4560","0.3","173","2","173","2","","","","","","","","7","P -1","-P 1","2","","","","- C81 H114 F3 K N6 O35 S -","- C81 H114 F3 K N6 O35 S -","- C162 H228 F6 K2 N12 O70 S2 -","2","1","","Schneider, Susanne; Licsandru, Erol-Dan; Kocsis, Istvan; Gilles, Arnaud; Dumitru, Florina; Moulin, Emilie; Tan, Junjun; Lehn, Jean-Marie; Giuseppone, Nicolas; Barboiu, Mihail","Columnar Self-Assemblies of Triarylamines as Scaffolds for Artificial Biomimetic Channels for Ion and for Water Transport.","Journal of the American Chemical Society","2017","139","10","3721","3727","10.1021/jacs.6b12094","","","1.54178","CuKα","","0.0763","0.0639","","","0.1757","0.1865","","","","","","1.033","","","","has coordinates,has disorder","194834","2020-10-21","18:00:00",""
"4125609","17.719","0.0005","12.4759","0.0006","9.2314","0.0004","90","","90","","90","","2040.7","0.14","173","2","173","2","","","","","","","","4","P c c a","-P 2a 2ac","54","","","","- C24 H22 N2 O4 -","- C24 H22 N2 O4 -","- C96 H88 N8 O16 -","4","0.5","","Schneider, Susanne; Licsandru, Erol-Dan; Kocsis, Istvan; Gilles, Arnaud; Dumitru, Florina; Moulin, Emilie; Tan, Junjun; Lehn, Jean-Marie; Giuseppone, Nicolas; Barboiu, Mihail","Columnar Self-Assemblies of Triarylamines as Scaffolds for Artificial Biomimetic Channels for Ion and for Water Transport.","Journal of the American Chemical Society","2017","139","10","3721","3727","10.1021/jacs.6b12094","","","0.71073","MoKα","","0.1394","0.0822","","","0.1796","0.215","","","","","","1.264","","","","has coordinates","194834","2020-10-21","18:00:00",""
"4125610","24.6495","0.0014","8.8435","0.0005","32.1542","0.0013","90","","130.301","0.003","90","","5345.6","0.5","173","2","173","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C38 H76 N2 O27 -","- C38 H76 N2 O27 -","- C152 H304 N8 O108 -","4","1","","Schneider, Susanne; Licsandru, Erol-Dan; Kocsis, Istvan; Gilles, Arnaud; Dumitru, Florina; Moulin, Emilie; Tan, Junjun; Lehn, Jean-Marie; Giuseppone, Nicolas; Barboiu, Mihail","Columnar Self-Assemblies of Triarylamines as Scaffolds for Artificial Biomimetic Channels for Ion and for Water Transport.","Journal of the American Chemical Society","2017","139","10","3721","3727","10.1021/jacs.6b12094","","","0.71073","MoKα","","0.1277","0.0739","","","0.2067","0.2299","","","","","","1.068","","","","has coordinates","194834","2020-10-21","18:00:00",""
"4125611","10.1353","0.0009","11.9253","0.001","13.8345","0.0012","88.869","0.001","80.361","0.001","79.359","0.001","1620.1","0.2","123","2","123","2","","","","","","","","4","P 1","P 1","1","","","","- C40 H35 Br O6 -","- C40 H35 Br O6 -","- C80 H70 Br2 O12 -","2","2","","Nicolaou, K. C.; Liu, Guodu; Beabout, Kathryn; McCurry, Megan D.; Shamoo, Yousif","Asymmetric Alkylation of Anthrones, Enantioselective Total Synthesis of (−)- and (+)-Viridicatumtoxins B and Analogues Thereof: Absolute Configuration and Potent Antibacterial Agents","Journal of the American Chemical Society","2017","","","","","10.1021/jacs.6b12654","","","0.71073","MoKα","","0.0258","0.0245","","","0.0658","0.0672","","","","","","1.019","","","","has coordinates,has disorder","192873","2020-10-21","18:00:00",""
"4125612","10.1374","0.0009","11.9207","0.0011","13.8316","0.0012","88.822","0.001","80.47","0.001","79.419","0.001","1620.3","0.3","123","2","123","2","","","","","","","","4","P 1","P 1","1","","","","- C40 H35 Br O6 -","- C40 H35 Br O6 -","- C80 H70 Br2 O12 -","2","2","","Nicolaou, K. C.; Liu, Guodu; Beabout, Kathryn; McCurry, Megan D.; Shamoo, Yousif","Asymmetric Alkylation of Anthrones, Enantioselective Total Synthesis of (−)- and (+)-Viridicatumtoxins B and Analogues Thereof: Absolute Configuration and Potent Antibacterial Agents","Journal of the American Chemical Society","2017","","","","","10.1021/jacs.6b12654","","","0.71073","MoKα","","0.0312","0.0287","","","0.0773","0.0803","","","","","","1.018","","","","has coordinates,has disorder","192874","2020-10-21","18:00:00",""
"4125613","12.4308","0.0004","12.3216","0.0004","13.8664","0.0004","90","","102.979","0.001","90","","2069.62","0.11","123","2","123","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C49 H54 O6 Si -","- C49 H54 O6 Si -","- C98 H108 O12 Si2 -","2","1","","Nicolaou, K. C.; Liu, Guodu; Beabout, Kathryn; McCurry, Megan D.; Shamoo, Yousif","Asymmetric Alkylation of Anthrones, Enantioselective Total Synthesis of (−)- and (+)-Viridicatumtoxins B and Analogues Thereof: Absolute Configuration and Potent Antibacterial Agents","Journal of the American Chemical Society","2017","","","","","10.1021/jacs.6b12654","","","1.54178","CuKα","","0.0252","0.0248","","","0.0674","0.0681","","","","","","1.039","","","","has coordinates","192875","2020-10-21","18:00:00",""
"4125614","7.8041","0.0003","5.9064","0.0002","19.9549","0.0008","90","","94.7261","0.0017","90","","916.68","0.06","100","","100","","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C22 H21 Br O3 -","- C22 H21 Br O3 -","- C44 H42 Br2 O6 -","2","1","","Bartlett, Samuel L.; Keiter, Kimberly M.; Johnson, Jeffrey S.","Synthesis of Complex Tertiary Glycolates by Enantioconvergent Arylation of Stereochemically Labile α-Keto Esters.","Journal of the American Chemical Society","2017","","","","","10.1021/jacs.7b00943","","","1.54178","CuKα","","0.0233","0.0223","","","0.0537","0.0541","","","","","","1.06","","","","has coordinates","192876","2020-10-21","18:00:00",""
"4125615","14.8348","0.0006","21.7778","0.001","30.4291","0.0013","90","","90","","90","","9830.7","0.7","100","","100","","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C46 H24 Cl2 F24 Rh2 -","- C46 H24 Cl2 F24 Rh2 -","- C368 H192 Cl16 F192 Rh16 -","8","2","","Bartlett, Samuel L.; Keiter, Kimberly M.; Johnson, Jeffrey S.","Synthesis of Complex Tertiary Glycolates by Enantioconvergent Arylation of Stereochemically Labile α-Keto Esters.","Journal of the American Chemical Society","2017","","","","","10.1021/jacs.7b00943","","","1.54178","CuKα","","0.0527","0.0486","","","0.1183","0.1215","","","","","","1.031","","","","has coordinates,has disorder","192877","2020-10-21","18:00:00",""
"4125616","6.3632","0.0002","10.611","0.0004","13.3887","0.0004","68.504","0.002","83.023","0.002","76.485","0.001","817.19","0.05","100","2","100","2","","","","","","","","3","P -1","-P 1","2","","","","- C19 H26 O4 -","- C19 H26 O4 -","- C38 H52 O8 -","2","1","","Reiher, Christopher A.; Shenvi, Ryan A.","Stereocontrolled Synthesis of Kalihinol C.","Journal of the American Chemical Society","2017","139","10","3647","3650","10.1021/jacs.7b01124","","","0.71073","MoKα","","0.0394","0.0361","","","0.1005","0.1034","","","","","","1.056","","","","has coordinates","194831","2020-10-21","18:00:00",""
"4125617","8.0891","0.0005","8.6468","0.0008","9.3489","0.0006","81.292","0.007","72.583","0.006","76.509","0.007","604.36","0.08","120","1","120","1","","","","","","","","5","P -1","-P 1","2","","","","- C24 H16 Co N10 Se2 -","- C24 H16 Co N10 Se2 -","- C24 H16 Co N10 Se2 -","1","0.5","","Aragones, Albert C.; Aravena, Daniel; Valverde-Muñoz, Francisco J; Real, Jose Antonio; Sanz, Fausto; Díez-Pérez, Ismael; Ruiz, Eliseo","Metal-Controlled Magnetoresistance at Room Temperature in Single-Molecule Devices.","Journal of the American Chemical Society","2017","","","","","10.1021/jacs.6b11166","","","0.71069","MoKα","","0.0578","0.0401","","","0.0879","0.1014","","","","","","0.871","","","","has coordinates","192879","2020-10-21","18:00:00",""
"4125618","19.614","0.003","10.4389","0.0009","42.807","0.007","90","","99.657","0.015","90","","8640","2","150","0.1","150","0.1","","","","","","","","8","I 1 2/a 1","-I 2ya","15","","","","- C39 H53 Co F6 N3 O6.5 P2 S2 -","- C39 H53 Co F6 N3 O6.5 P2 S2 -","- C312 H424 Co8 F48 N24 O52 P16 S16 -","8","1","","Roy, Souvik; Sharma, Bhaskar; Pécaut, Jacques; Simon, Philippe; Fontecave, Marc; Tran, Phong D.; Derat, Etienne; Artero, Vincent","Molecular Cobalt Complexes with Pendant Amines for Selective Electrocatalytic Reduction of Carbon Dioxide to Formic Acid.","Journal of the American Chemical Society","2017","139","10","3685","3696","10.1021/jacs.6b11474","","x-ray","0.71073","MoKα","","0.1873","0.0745","","","0.1006","0.114","","","","","","0.856","","","","has coordinates,has disorder","194832","2020-10-21","18:00:00",""
"4125619","35.56","0.003","11.5161","0.0008","21.158","0.003","90","","102.477","0.009","90","","8459.8","1.5","298.6","","298.6","","","","","","","","","8","C 1 2/c 1","-C 2yc","15","","","","- C39 H40 Co F6 N3 O6 P2 S2 -","- C39 H40 Co F6 N3 O6 P2 S2 -","- C312 H320 Co8 F48 N24 O48 P16 S16 -","8","1","","Roy, Souvik; Sharma, Bhaskar; Pécaut, Jacques; Simon, Philippe; Fontecave, Marc; Tran, Phong D.; Derat, Etienne; Artero, Vincent","Molecular Cobalt Complexes with Pendant Amines for Selective Electrocatalytic Reduction of Carbon Dioxide to Formic Acid.","Journal of the American Chemical Society","2017","139","10","3685","3696","10.1021/jacs.6b11474","","","0.71073","MoKα","","0.1002","0.0787","","","0.2202","0.2438","","","","","","1.045","","","","has coordinates,has disorder","194832","2020-10-21","18:00:00",""
"4125620","9.1042","0.0003","10.6408","0.0003","20.646","0.0006","100.465","0.002","94.427","0.002","94.263","0.002","1952.98","0.1","150","2","150.15","","","","","","","","","9","P -1","-P 1","2","","","","- C35.38 H33.77 Cl0.77 Co F6 N2 O6 P2 S2 -","- C35.386 H33.772 Cl0.772 Co F6 N2 O6 P2 S2 -","- C70.772 H67.544 Cl1.544 Co2 F12 N4 O12 P4 S4 -","2","1","","Roy, Souvik; Sharma, Bhaskar; Pécaut, Jacques; Simon, Philippe; Fontecave, Marc; Tran, Phong D.; Derat, Etienne; Artero, Vincent","Molecular Cobalt Complexes with Pendant Amines for Selective Electrocatalytic Reduction of Carbon Dioxide to Formic Acid.","Journal of the American Chemical Society","2017","139","10","3685","3696","10.1021/jacs.6b11474","","","0.71073","MoKα","","0.072","0.0459","","","0.1096","0.1162","","","","","","0.949","","","","has coordinates,has disorder","194832","2020-10-21","18:00:00",""
"4125621","11.0634","0.0005","11.8443","0.0005","18.1779","0.0008","100.479","0.004","103.371","0.004","102.291","0.004","2196.38","0.18","150","0.1","150","0.1","","","","","","","","8","P -1","-P 1","2","","","","- C39 H51 Co F6 N4 O6 P2 S2 -","- C39 H51 Co F6 N4 O6 P2 S2 -","- C78 H102 Co2 F12 N8 O12 P4 S4 -","2","1","","Roy, Souvik; Sharma, Bhaskar; Pécaut, Jacques; Simon, Philippe; Fontecave, Marc; Tran, Phong D.; Derat, Etienne; Artero, Vincent","Molecular Cobalt Complexes with Pendant Amines for Selective Electrocatalytic Reduction of Carbon Dioxide to Formic Acid.","Journal of the American Chemical Society","2017","139","10","3685","3696","10.1021/jacs.6b11474","","x-ray","0.71073","MoKα","","0.0865","0.0522","","","0.0951","0.1072","","","","","","1.036","","","","has coordinates,has disorder","194832","2020-10-21","18:00:00",""
"4125622","13.92506","0.00015","7.62053","0.00008","22.4351","0.0002","90","","90.4854","0.0009","90","","2380.65","0.04","120","","120","","","","","","","","","3","C 1 c 1","C -2yc","9","","","","- C16 H16 O -","- C16 H16 O -","- C128 H128 O8 -","8","2","","Corrie, Tom J. A.; Ball, Liam T.; Russell, Christopher A.; Lloyd-Jones, Guy C","Au-Catalyzed Biaryl Coupling To Generate 5- to 9-Membered Rings: Turnover-Limiting Reductive Elimination versus π-Complexation.","Journal of the American Chemical Society","2017","139","1","245","254","10.1021/jacs.6b10018","","x-ray","1.54178","CuKα","","0.036","0.0356","","","0.093","0.0932","","","","","","1.042","","","","has coordinates","193025","2020-10-21","18:00:00",""
"4125623","7.69025","0.00007","13.54657","0.00017","20.9417","0.0002","90","","90","","90","","2181.63","0.04","120","","120","","","","","","","","","3","P b c a","-P 2ac 2ab","61","","","","- C15 H14 O -","- C15 H14 O -","- C120 H112 O8 -","8","1","","Corrie, Tom J. A.; Ball, Liam T.; Russell, Christopher A.; Lloyd-Jones, Guy C","Au-Catalyzed Biaryl Coupling To Generate 5- to 9-Membered Rings: Turnover-Limiting Reductive Elimination versus π-Complexation.","Journal of the American Chemical Society","2017","139","1","245","254","10.1021/jacs.6b10018","","x-ray","1.54184","CuKα","","0.0515","0.0499","","","0.137","0.139","","","","","","1.054","","","","has coordinates","193026","2020-10-21","18:00:00",""
"4125624","26.6275","0.0007","26.6275","0.0007","14.9233","0.0005","90","","90","","120","","9163.4","0.5","150","2","150","2","","","","","","","","5","R 3 c :H","R 3 -2""c","161","","","","- C20 H24 Fe N4 O2 -","- C20 H24 Fe N4 O2 -","- C360 H432 Fe18 N72 O36 -","18","1","","Ke, Chun-Hung; Chen, Chien-Hong; Tsai, Ming-Li; Wang, Hsuan-Chi; Tsai, Fu-Te; Chiang, Yun-Wei; Shih, Wei-Chih; Bohle, D. Scott; Liaw, Wen-Feng","{Fe(NO)2}(9) Dinitrosyl Iron Complex Acting as a Vehicle for the NO Radical.","Journal of the American Chemical Society","2017","139","1","67","70","10.1021/jacs.6b11454","","","0.71073","MoKα","","0.0501","0.0347","","","0.0718","0.0787","","","","","","0.938","","","","has coordinates","288469","2023-12-21","09:29:37",""
"4125625","8.3711","0.0004","17.0618","0.0009","18.6672","0.0009","90","","90","","90","","2666.2","0.2","100","2","100","2","","","","","","","","5","P n m a","-P 2ac 2n","62","","","","- C24 H32 Fe N4 O2 -","- C24 H32 Fe N4 O2 -","- C96 H128 Fe4 N16 O8 -","4","0.5","","Ke, Chun-Hung; Chen, Chien-Hong; Tsai, Ming-Li; Wang, Hsuan-Chi; Tsai, Fu-Te; Chiang, Yun-Wei; Shih, Wei-Chih; Bohle, D. Scott; Liaw, Wen-Feng","{Fe(NO)2}(9) Dinitrosyl Iron Complex Acting as a Vehicle for the NO Radical.","Journal of the American Chemical Society","2017","139","1","67","70","10.1021/jacs.6b11454","","","0.71073","MoKα","","0.0477","0.0369","","","0.0909","0.0972","","","","","","1.044","","","","has coordinates","288469","2023-12-21","09:29:37",""
"4125626","12.478","0.005","10.528","0.005","21.296","0.005","90","0.005","90","0.005","90","0.005","2797.6","1.9","200","2","200","2","","","","","","","","5","P n a m","-P 2c 2n","62","","","","- C28 H40 Fe N4 O2 -","- C28 H40 Fe N4 O2 -","- C112 H160 Fe4 N16 O8 -","4","0.5","","Ke, Chun-Hung; Chen, Chien-Hong; Tsai, Ming-Li; Wang, Hsuan-Chi; Tsai, Fu-Te; Chiang, Yun-Wei; Shih, Wei-Chih; Bohle, D. Scott; Liaw, Wen-Feng","{Fe(NO)2}(9) Dinitrosyl Iron Complex Acting as a Vehicle for the NO Radical.","Journal of the American Chemical Society","2017","139","1","67","70","10.1021/jacs.6b11454","","","0.71069","MoKα","","0.0477","0.0371","","","0.1027","0.1189","","","","","","1.19","","","","has coordinates","193027","2020-10-21","18:00:00",""
"4125627","15.3013","0.001","10.7723","0.0006","14.3639","0.001","90","","90","","90","","2367.6","0.3","200","2","200","2","","","","","","","","7","P c a 21","P 2c -2ac","29","","","","- C20 H24 B F4 Fe N4 O2 -","- C20 H24 B F4 Fe N4 O2 -","- C80 H96 B4 F16 Fe4 N16 O8 -","4","1","","Ke, Chun-Hung; Chen, Chien-Hong; Tsai, Ming-Li; Wang, Hsuan-Chi; Tsai, Fu-Te; Chiang, Yun-Wei; Shih, Wei-Chih; Bohle, D. Scott; Liaw, Wen-Feng","{Fe(NO)2}(9) Dinitrosyl Iron Complex Acting as a Vehicle for the NO Radical.","Journal of the American Chemical Society","2017","139","1","67","70","10.1021/jacs.6b11454","","","0.71073","MoKα","","0.1328","0.0696","","","0.0814","0.0934","","","","","","1.072","","","","has coordinates,has disorder","288469","2023-12-21","09:29:37",""
"4125628","11.2452","0.0005","16.1669","0.0008","17.9585","0.0008","90","","105.802","0.002","90","","3141.5","0.3","200","2","200","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C28 H40 B F4 Fe N4 O2 -","- C28 H40 B F4 Fe N4 O2 -","- C112 H160 B4 F16 Fe4 N16 O8 -","4","1","","Ke, Chun-Hung; Chen, Chien-Hong; Tsai, Ming-Li; Wang, Hsuan-Chi; Tsai, Fu-Te; Chiang, Yun-Wei; Shih, Wei-Chih; Bohle, D. Scott; Liaw, Wen-Feng","{Fe(NO)2}(9) Dinitrosyl Iron Complex Acting as a Vehicle for the NO Radical.","Journal of the American Chemical Society","2017","139","1","67","70","10.1021/jacs.6b11454","","","0.71073","MoKα","","0.0647","0.0472","","","0.1028","0.1154","","","","","","1.018","","","","has coordinates","193027","2020-10-21","18:00:00",""
"4125629","18.1138","0.0005","12.4841","0.0003","21.1588","0.0006","90","","90","","90","","4784.7","0.2","100","2","100","2","","","","","","","","7","P b c a","-P 2ac 2ab","61","","","","- C20 H24 B F4 Fe N5 O3 -","- C20 H24 B F4 Fe N5 O3 -","- C160 H192 B8 F32 Fe8 N40 O24 -","8","1","","Ke, Chun-Hung; Chen, Chien-Hong; Tsai, Ming-Li; Wang, Hsuan-Chi; Tsai, Fu-Te; Chiang, Yun-Wei; Shih, Wei-Chih; Bohle, D. Scott; Liaw, Wen-Feng","{Fe(NO)2}(9) Dinitrosyl Iron Complex Acting as a Vehicle for the NO Radical.","Journal of the American Chemical Society","2017","139","1","67","70","10.1021/jacs.6b11454","","","0.71073","MoKα","","0.0345","0.0265","","","0.0807","0.0991","","","","","","1.148","","","","has coordinates","288469","2023-12-21","09:29:37",""
"4125630","10.9335","0.0005","12.7302","0.0006","19.1398","0.0008","90","","90","","90","","2664","0.2","100","2","100","2","","","","","","","","7","P 21 21 21","P 2ac 2ab","19","","","","- C24 H32 B F4 Fe N5 O3 -","- C24 H32 B F4 Fe N5 O3 -","- C96 H128 B4 F16 Fe4 N20 O12 -","4","1","","Ke, Chun-Hung; Chen, Chien-Hong; Tsai, Ming-Li; Wang, Hsuan-Chi; Tsai, Fu-Te; Chiang, Yun-Wei; Shih, Wei-Chih; Bohle, D. Scott; Liaw, Wen-Feng","{Fe(NO)2}(9) Dinitrosyl Iron Complex Acting as a Vehicle for the NO Radical.","Journal of the American Chemical Society","2017","139","1","67","70","10.1021/jacs.6b11454","","","0.71073","MoKα","","0.0254","0.022","","","0.0616","0.0751","","","","","","1.192","","","","has coordinates","193027","2020-10-21","18:00:00",""
"4125631","21.64","","21.86","","22.426","","65.37","","61.48","","84.84","","8393.86","","173","","173","","","","","","","","","6","P -1","-P 1","2","","","","- C300 H197.26 Ag38 F52 P8 S26 -","- C300 H197.246 Ag38 F52 P8 S26 -","- C300 H197.246 Ag38 F52 P8 S26 -","1","0.5","","Yang, Huayan; Yan, Juanzhu; Wang, Yu; Su, Haifeng; Gell, Lars; Zhao, Xiaojing; Xu, Chaofa; Teo, Boon K.; Häkkinen, Hannu; Zheng, Nanfeng","Embryonic Growth of Face-Center-Cubic Silver Nanoclusters Shaped in Nearly Perfect Half-Cubes and Cubes.","Journal of the American Chemical Society","2017","139","1","31","34","10.1021/jacs.6b10053","","","0.71073","MoKα","","0.1","0.0605","","","0.1843","0.2211","","","","","","1.008","","","","has coordinates,has disorder","193028","2020-10-21","18:00:00",""
"4125632","11.4059","0.0002","31.7761","0.0005","15.3471","0.0003","90","","111.604","0.002","90","","5171.58","0.17","110","2","110","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C54 H48 B Cu F20 N4 -","- C54 H48 B Cu F20 N4 -","- C216 H192 B4 Cu4 F80 N16 -","4","1","","Adam, Suzanne M.; Garcia-Bosch, Isaac; Schaefer, Andrew W.; Sharma, Savita K.; Siegler, Maxime A.; Solomon, Edward I.; Karlin, Kenneth D.","Critical Aspects of Heme-Peroxo-Cu Complex Structure and Nature of Proton Source Dictate Metal-Operoxo Breakage versus Reductive O-O Cleavage Chemistry.","Journal of the American Chemical Society","2017","139","1","472","481","10.1021/jacs.6b11322","","","1.54178","CuKα","","0.0436","0.0354","","","0.0846","0.0892","","","","","","1.025","","","","has coordinates,has disorder","193029","2020-10-21","18:00:00",""
"4125633","4.2433","0.0008","20.178","0.004","20.83","0.004","90","","94.852","0.002","90","","1777.1","0.6","103","2","103","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C40 H20 F8 I4 N2 -","- C40 H20 F8 I4 N2 -","- C80 H40 F16 I8 N4 -","2","0.5","","Bai, Linyi; Bose, Purnandhu; Gao, Qiang; Li, Yongxin; Ganguly, Rakesh; Zhao, Yanli","Halogen-Assisted Piezochromic Supramolecular Assemblies for Versatile Haptic Memory.","Journal of the American Chemical Society","2017","139","1","436","441","10.1021/jacs.6b11057","","","0.71073","MoKα","","0.0546","0.0379","","","0.0678","0.0733","","","","","","1.026","","","","has coordinates","193030","2020-10-21","18:00:00",""
"4125634","8.111","0.004","10.142","0.005","10.582","0.005","116.789","0.005","105.997","0.005","92.452","0.006","732.7","0.6","103","2","103","2","","","","","","","","5","P -1","-P 1","2","","","","- C34 H20 F4 I2 N2 -","- C34 H20 F4 I2 N2 -","- C34 H20 F4 I2 N2 -","1","0.5","","Bai, Linyi; Bose, Purnandhu; Gao, Qiang; Li, Yongxin; Ganguly, Rakesh; Zhao, Yanli","Halogen-Assisted Piezochromic Supramolecular Assemblies for Versatile Haptic Memory.","Journal of the American Chemical Society","2017","139","1","436","441","10.1021/jacs.6b11057","","","0.71073","MoKα","","0.0464","0.0373","","","0.0861","0.0911","","","","","","1.043","","","","has coordinates,has disorder","193031","2020-10-21","18:00:00",""
"4125635","12.355","0.0005","15.307","0.0008","14.802","0.0007","90","","123.147","0.003","90","","2343.8","0.2","130","2","130","2","","","","","","","","8","P 1 21/c 1","-P 2ybc","14","gloria01","'gloria01'","","- C16 H31 F6 Fe N3 O P S2 -","- C16 H31 F6 Fe N3 O P S2 -","- C64 H124 F24 Fe4 N12 O4 P4 S8 -","4","1","","Villar-Acevedo, Gloria; Lugo-Mas, Priscilla; Blakely, Maike N.; Rees, Julian A.; Ganas, Abbie S.; Hanada, Erin M.; Kaminsky, Werner; Kovacs, Julie A.","Metal-Assisted Oxo Atom Addition to an Fe(III) Thiolate.","Journal of the American Chemical Society","2017","139","1","119","129","10.1021/jacs.6b03512","","","0.71073","MoKα","","0.1447","0.0711","","","0.174","0.2019","","","","","","0.997","","","","has coordinates","193032","2020-10-21","18:00:00",""
"4125636","39.8773","0.0003","39.8773","0.0003","27.4426","0.0004","90","","90","","90","","43639.2","0.8","100","2","100","2","","","","","","","","8","P 4/n","-P 4a","85","","","","- C464 H168 F192 Fe8 N136 Ni6 O64 S32 -","- C436 H168 F108 Fe8 N122 Ni6 O8 S4 -","- C872 H336 F216 Fe16 N244 Ni12 O16 S8 -","2","","","Brenner, Wolfgang; Ronson, Tanya K.; Nitschke, Jonathan R.","Separation and Selective Formation of Fullerene Adducts within an M(II)8L6 Cage.","Journal of the American Chemical Society","2017","139","1","75","78","10.1021/jacs.6b11523","","","0.6889","synchrotron","","0.1451","0.1276","","","0.3709","0.3888","","","","","","1.152","","","","has coordinates,has disorder","193033","2020-10-21","18:00:00",""
"4125637","6.369","0.0003","14.0432","0.0006","15.4534","0.0006","68.518","0.001","89.229","0.001","77.501","0.001","1252.37","0.09","173","2","173","2","","","","","","","","3","P 1","P 1","1","","","","- C30 H38 O5 -","- C30 H38 O5 -","- C60 H76 O10 -","2","2","","Ding, Wei; Lu, Liang-Qiu; Zhou, Quan-Quan; Wei, Yi; Chen, Jia-Rong; Xiao, Wen-Jing","Bifunctional Photocatalysts for Enantioselective Aerobic Oxidation of β-Ketoesters.","Journal of the American Chemical Society","2017","139","1","63","66","10.1021/jacs.6b11418","","","1.54178","CuKα","","0.033","0.0327","","","0.0906","0.091","","","","","","1.005","","","","has coordinates","193034","2020-10-21","18:00:00",""
"4125638","13.965","0.003","28.537","0.006","14.7","0.003","90","","109.25","0.03","90","","5531","2","173","2","173.15","","","","","","","","","8","P 1 21 1","P 2yb","4","","","","- C119 H145 F3 Ir2 N2 O7 P2 S -","- C119 H145 F3 Ir2 N2 O7 P2 S -","- C238 H290 F6 Ir4 N4 O14 P4 S2 -","2","1","","Li, Mao-Lin; Yang, Shuang; Su, Xun-Cheng; Wu, Hui-Ling; Yang, Liang-Liang; Zhu, Shou-Fei; Zhou, Qi-Lin","Mechanism Studies of Ir-Catalyzed Asymmetric Hydrogenation of Unsaturated Carboxylic Acids.","Journal of the American Chemical Society","2017","139","1","541","547","10.1021/jacs.6b11655","","","0.71073","MoKα","","0.0717","0.0537","","","0.1074","0.1201","","","","","","0.998","","","","has coordinates,has disorder","193035","2020-10-21","18:00:00",""
"4125639","17.6216","0.0013","18.3846","0.0013","32.285","0.002","90","","90","","90","","10459.2","1.2","113","2","113","2","","","","","","","","8","P 21 21 21","P 2ac 2ab","19","","","","- C109 H146 F3 Ir2 N2 O9 P2 S -","- C109 H146 F3 Ir2 N2 O9 P2 S -","- C436 H584 F12 Ir8 N8 O36 P8 S4 -","4","1","","Li, Mao-Lin; Yang, Shuang; Su, Xun-Cheng; Wu, Hui-Ling; Yang, Liang-Liang; Zhu, Shou-Fei; Zhou, Qi-Lin","Mechanism Studies of Ir-Catalyzed Asymmetric Hydrogenation of Unsaturated Carboxylic Acids.","Journal of the American Chemical Society","2017","139","1","541","547","10.1021/jacs.6b11655","","","0.71073","MoKα","","0.0209","0.0181","","","0.0373","0.0382","","","","","","1.046","","","","has coordinates,has disorder","193036","2020-10-21","18:00:00",""
"4125640","10.818","0.002","14.5","0.003","12.569","0.003","90","","102.765","0.004","90","","1922.9","0.7","100","2","100","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C20 H25 B O3 S -","- C20 H25 B O3 S -","- C80 H100 B4 O12 S4 -","4","2","","Lovinger, Gabriel J.; Aparece, Mark D.; Morken, James P.","Pd-Catalyzed Conjunctive Cross-Coupling between Grignard-Derived Boron ""Ate"" Complexes and C(sp(2)) Halides or Triflates: NaOTf as a Grignard Activator and Halide Scavenger.","Journal of the American Chemical Society","2017","139","8","3153","3160","10.1021/jacs.6b12663","","","0.71073","MoKα","","0.0565","0.05","","","0.1114","0.115","","","","","","1.059","","","","has coordinates,has disorder","193037","2020-10-21","18:00:00",""
"4125641","7.5778","0.0001","25.9067","0.0005","36.526","0.003","90","","90","","90","","7170.6","0.6","85","2","85","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C20 H18 B F4 N O -","- C20 H18 B F4 N O -","- C320 H288 B16 F64 N16 O16 -","16","4","","Sevov, Christo S.; Hickey, David P.; Cook, Monique E.; Robinson, Sophia G.; Barnett, Shoshanna; Minteer, Shelley D.; Sigman, Matthew S.; Sanford, Melanie S.","Physical Organic Approach to Persistent, Cyclable, Low-Potential Electrolytes for Flow Battery Applications.","Journal of the American Chemical Society","2017","139","8","2924","2927","10.1021/jacs.7b00147","","","1.54178","CuKα","","0.0928","0.0699","","","0.1756","0.1928","","","","","","0.962","","","","has coordinates","193038","2020-10-21","18:00:00",""
"4125642","29.6889","0.0013","14.9613","0.0007","14.8859","0.0007","90","","115.211","0.002","90","","5982.3","0.5","100","2","99.94","","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C62 H52 O P2 S12 V -","- C62 H52 O P2 S12 V -","- C248 H208 O4 P8 S48 V4 -","4","0.5","","Graham, Michael J.; Yu, Chung-Jui; Krzyaniak, Matthew D.; Wasielewski, Michael R.; Freedman, Danna E.","Synthetic Approach To Determine the Effect of Nuclear Spin Distance on Electronic Spin Decoherence.","Journal of the American Chemical Society","2017","139","8","3196","3201","10.1021/jacs.6b13030","","","0.71073","MoKα","","0.1368","0.1349","","","0.3212","0.3219","","","","","","1.356","","","","has coordinates","193039","2020-10-21","18:00:00",""
"4125643","15.009","0.006","13.965","0.007","19.47","0.009","90","","90","","90","","4081","3","296","2","296","2","","","","","","","","3","P b c a","-P 2ac 2ab","61","","","","- C13 H10 O2 -","- C13 H10 O2 -","- C208 H160 O32 -","16","2","","Sagadevan, Arunachalam; Charpe, Vaibhav Pramod; Ragupathi, Ayyakkannu; Hwang, Kuo Chu","Visible Light Copper Photoredox-Catalyzed Aerobic Oxidative Coupling of Phenols and Terminal Alkynes: Regioselective Synthesis of Functionalized Ketones via C≡C Triple Bond Cleavage.","Journal of the American Chemical Society","2017","139","8","2896","2899","10.1021/jacs.6b13113","","","0.71073","MoKα","","0.2268","0.1463","","","0.3305","0.4035","","","","","","1.243","","","","has coordinates","250444","2020-10-21","18:00:00",""
"4125644","11.08","0.007","27.686","0.016","9.526","0.006","90","","96.376","0.014","90","","2904","3","100","2","100","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C14 H8 N O2 -","- C15 H9 O2 -","- C120 H72 O16 -","8","1","","Sagadevan, Arunachalam; Charpe, Vaibhav Pramod; Ragupathi, Ayyakkannu; Hwang, Kuo Chu","Visible Light Copper Photoredox-Catalyzed Aerobic Oxidative Coupling of Phenols and Terminal Alkynes: Regioselective Synthesis of Functionalized Ketones via C≡C Triple Bond Cleavage.","Journal of the American Chemical Society","2017","139","8","2896","2899","10.1021/jacs.6b13113","","","0.71073","MoKα","","0.1161","0.056","","","0.1214","0.1371","","","","","","0.886","","","","has coordinates","193041","2020-10-21","18:00:00",""
"4125645","11.7566","0.0013","11.9481","0.0013","18.921","0.002","78.101","0.007","84.064","0.007","64.72","0.006","2351.3","0.5","173","2","173","2","","","","","","","","3","P -1","-P 1","2","","","","- C30 H28 O4 -","- C30 H28 O4 -","- C120 H112 O16 -","4","2","","Darzi, Evan R.; White, Brittany M.; Loventhal, Lance K.; Zakharov, Lev N.; Jasti, Ramesh","An Operationally Simple and Mild Oxidative Homocoupling of Aryl Boronic Esters To Access Conformationally Constrained Macrocycles.","Journal of the American Chemical Society","2017","139","8","3106","3114","10.1021/jacs.6b12658","","","1.54178","CuKα","","0.0676","0.0576","","","0.15","0.1576","","","","","","1.055","","","","has coordinates,has disorder","193042","2020-10-21","18:00:00",""
"4125646","6.7057","0.0007","10.4349","0.001","10.471","0.0011","115.281","0.007","101.865","0.008","93.508","0.008","639.11","0.12","173","2","173","2","","","","","","","","4","P -1","-P 1","2","","","","- C30 H28 Cl2 O4 -","- C30 H28 Cl2 O4 -","- C30 H28 Cl2 O4 -","1","0.5","","Darzi, Evan R.; White, Brittany M.; Loventhal, Lance K.; Zakharov, Lev N.; Jasti, Ramesh","An Operationally Simple and Mild Oxidative Homocoupling of Aryl Boronic Esters To Access Conformationally Constrained Macrocycles.","Journal of the American Chemical Society","2017","139","8","3106","3114","10.1021/jacs.6b12658","","","1.54178","CuKα","","0.0556","0.0428","","","0.1104","0.1178","","","","","","1.049","","","","has coordinates","193043","2020-10-21","18:00:00",""
"4125647","25.0005","0.001","25.0005","0.001","48.793","0.002","90","","90","","120","","26411","1.8","101","2","101","2","","","","","","","","3","R -3 :H","-R 3","148","","","","- C148 H160 Cl12 -","- C148 H160 Cl12 -","- C888 H960 Cl72 -","6","0.333333","","Moneypenny, 2nd, Timothy P; Walter, Nathan P.; Cai, Zhikun; Miao, Yu-Run; Gray, Danielle L.; Hinman, Jordan J.; Lee, Semin; Zhang, Yang; Moore, Jeffrey S.","Impact of Shape Persistence on the Porosity of Molecular Cages.","Journal of the American Chemical Society","2017","139","8","3259","3264","10.1021/jacs.7b00189","","","1.54178","CuKα","","0.0744","0.0698","","","0.1925","0.1956","","","","","","1.131","","","","has coordinates,has disorder","193044","2020-10-21","18:00:00",""
"4125648","43.8917","0.0019","20.3623","0.0008","25.1357","0.001","90","","121.486","0.001","90","","19157.2","1.4","100","2","100","2","","","","","","","","3","C 1 2/c 1","-C 2yc","15","","","","- C144 H132 Br12 -","- C144 H132 Br12 -","- C576 H528 Br48 -","4","0.5","","Moneypenny, 2nd, Timothy P; Walter, Nathan P.; Cai, Zhikun; Miao, Yu-Run; Gray, Danielle L.; Hinman, Jordan J.; Lee, Semin; Zhang, Yang; Moore, Jeffrey S.","Impact of Shape Persistence on the Porosity of Molecular Cages.","Journal of the American Chemical Society","2017","139","8","3259","3264","10.1021/jacs.7b00189","","","0.71073","MoKα","","0.0905","0.0651","","","0.1922","0.215","","","","","","1.094","","","","has coordinates,has disorder","193045","2020-10-21","18:00:00",""
"4125649","7.8837","0.0001","12.6022","0.0001","14.4974","0.0001","90","","95.238","0.001","90","","1434.33","0.02","85","2","85","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C18 H15 F3 O -","- C18 H15 F3 O -","- C72 H60 F12 O4 -","4","1","","McAtee, Christopher C.; Riehl, Paul S.; Schindler, Corinna S.","Polycyclic Aromatic Hydrocarbons via Iron(III)-Catalyzed Carbonyl-Olefin Metathesis.","Journal of the American Chemical Society","2017","139","8","2960","2963","10.1021/jacs.7b01114","","","1.54184","CuKα","","0.048","0.0478","","","0.1172","0.1175","","","","","","1.136","","","","has coordinates","193046","2020-10-21","18:00:00",""
"4125650","13.92565","0.00012","6.76441","0.00005","16.55751","0.00012","90","","90","","90","","1559.7","0.02","85","2","85","2","","","","","","","","2","P b c a","-P 2ac 2ab","61","","","","- C24 H18 -","- C24 H18 -","- C96 H72 -","4","0.5","","McAtee, Christopher C.; Riehl, Paul S.; Schindler, Corinna S.","Polycyclic Aromatic Hydrocarbons via Iron(III)-Catalyzed Carbonyl-Olefin Metathesis.","Journal of the American Chemical Society","2017","139","8","2960","2963","10.1021/jacs.7b01114","","","1.54184","CuKα","","0.0404","0.0399","","","0.0975","0.0979","","","","","","1.122","","","","has coordinates","193047","2020-10-21","18:00:00",""
"4125651","10.62617","0.0001","19.11003","0.00016","13.49063","0.00011","90","","90.5435","0.0008","90","","2739.37","0.04","85","2","85","2","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","","","- C38 H30 O2 -","- C38 H30 O2 -","- C152 H120 O8 -","4","1","","McAtee, Christopher C.; Riehl, Paul S.; Schindler, Corinna S.","Polycyclic Aromatic Hydrocarbons via Iron(III)-Catalyzed Carbonyl-Olefin Metathesis.","Journal of the American Chemical Society","2017","139","8","2960","2963","10.1021/jacs.7b01114","","","1.54184","CuKα","","0.0615","0.0597","","","0.1647","0.1673","","","","","","1.035","","","","has coordinates","193048","2020-10-21","18:00:00",""
"4125652","22.6944","0.0007","21.4972","0.0005","9.4414","0.0003","90","","99.847","0.003","90","","4538.3","0.2","100","","100","","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C37.86 H46.78 I2 N6.93 O6 Se2 -","- C37.856 H46.784 I2.0001 N6.928 O6 Se2 -","- C151.424 H187.136 I8.0004 N27.712 O24 Se8 -","4","1","","Lim, Jason Y. C.; Marques, Igor; Thompson, Amber L.; Christensen, Kirsten E.; Félix, Vítor; Beer, Paul D.","Chalcogen Bonding Macrocycles and [2]Rotaxanes for Anion Recognition.","Journal of the American Chemical Society","2017","139","8","3122","3133","10.1021/jacs.6b12745","","","0.6889","Synchrotron","","0.0978","0.0683","","0.199","0.1767","0.199","","","","","","0.9868","","","","has coordinates,has disorder","193049","2020-10-21","18:00:00",""
"4125653","14.6181","0.0015","13.8956","0.0014","16.9244","0.0017","90","","107.448","0.002","90","","3279.6","0.6","123","","123","","","","","","","","Cathrin Ertl","8","P 1 21/n 1","-P 2yn","14","","","","- C35 H26 Cl2 F6 Ir N4 O P -","- C35 H26 Cl2 F6 Ir N4 O P -","- C140 H104 Cl8 F24 Ir4 N16 O4 P4 -","4","1","","Ertl, Cathrin D.; Momblona, Cristina; Pertegás, Antonio; Junquera-Hernández, José M; La-Placa, Maria-Grazia; Prescimone, Alessandro; Ortí, Enrique; Housecroft, Catherine E.; Constable, Edwin C.; Bolink, Henk J.","Highly Stable Red-Light-Emitting Electrochemical Cells.","Journal of the American Chemical Society","2017","139","8","3237","3248","10.1021/jacs.6b13311","","","1.5418","CuKα","","0.0257","0.0256","","0.0556","0.0556","0.0556","","","","","","0.9994","","","","has coordinates","193050","2020-10-21","18:00:00",""
"4125654","12.2991","0.0019","13.34","0.002","40.35","0.007","90","","90","","90","","6620.2","1.8","123","","123","","","","","","","","Cathrin Ertl","7","F d d 2","F 2 -2d","43","","","","- C34 H24 F6 Ir N6 P S2 -","- C34 H24 F6 Ir N6 P S2 -","- C272 H192 F48 Ir8 N48 P8 S16 -","8","0.5","","Ertl, Cathrin D.; Momblona, Cristina; Pertegás, Antonio; Junquera-Hernández, José M; La-Placa, Maria-Grazia; Prescimone, Alessandro; Ortí, Enrique; Housecroft, Catherine E.; Constable, Edwin C.; Bolink, Henk J.","Highly Stable Red-Light-Emitting Electrochemical Cells.","Journal of the American Chemical Society","2017","139","8","3237","3248","10.1021/jacs.6b13311","","","1.54178","CuKα","","0.0171","0.017","","0.0405","0.0405","0.0405","","","","","","0.9244","","","","has coordinates","193051","2020-10-21","18:00:00",""
"4125655","11.3612","0.0003","15.0007","0.0004","15.3112","0.0004","99.798","0.002","93.975","0.002","94.8","0.002","2553.05","0.12","100","0.2","100","0.2","","","","","","","","2","P -1","-P 1","2","","","","- C31 H38 -","- C31 H38 -","- C124 H152 -","4","2","","Yang, Sanghee; Shin, Suyong; Choi, Inho; Lee, Jaeho; Choi, Tae-Lim","Direct Formation of Large-Area 2D Nanosheets from Fluorescent Semiconducting Homopolymer with Orthorhombic Crystalline Orientation.","Journal of the American Chemical Society","2017","139","8","3082","3088","10.1021/jacs.6b12378","","x-ray","1.54184","CuKα","","0.0491","0.0431","","","0.1104","0.1154","","","","","","1.053","","","","has coordinates,has disorder","193052","2020-10-21","18:00:00",""
"4125656","12.5845","0.0008","22.7005","0.0016","14.5054","0.001","90","","114.146","0.0017","90","","3781.3","0.4","240","","240","","","","","","","","","3","P 1 2/n 1","-P 2yac","13","","","","- C75 H102 O15 -","- C66 H84 O12 -","- C132 H168 O24 -","2","0.5","","Jie, Kecheng; Liu, Ming; Zhou, Yujuan; Little, Marc A.; Bonakala, Satyanarayana; Chong, Samantha Y.; Stephenson, Andrew; Chen, Linjiang; Huang, Feihe; Cooper, Andrew I.","Styrene Purification by Guest-Induced Restructuring of Pillar[6]arene.","Journal of the American Chemical Society","2017","139","8","2908","2911","10.1021/jacs.6b13300","","","0.71073","MoKα","","0.0835","0.0498","","","0.1298","0.1436","","","","","","1.04","","","","has coordinates","193053","2020-10-21","18:00:00",""
"4125657","10.7372","0.0009","11.7516","0.0008","13.541","0.0011","95.142","0.006","94.75","0.007","102.165","0.006","1654.4","0.2","170","","170","","","","","","","","","3","P -1","-P 1","2","","","","- C37 H46 O6 -","- C37 H46 O6 -","- C74 H92 O12 -","2","1","","Jie, Kecheng; Liu, Ming; Zhou, Yujuan; Little, Marc A.; Bonakala, Satyanarayana; Chong, Samantha Y.; Stephenson, Andrew; Chen, Linjiang; Huang, Feihe; Cooper, Andrew I.","Styrene Purification by Guest-Induced Restructuring of Pillar[6]arene.","Journal of the American Chemical Society","2017","139","8","2908","2911","10.1021/jacs.6b13300","","","0.71073","MoKα","","0.1798","0.1055","","","0.2429","0.2957","","","","","","1.028","","","","has coordinates,has disorder","193054","2020-10-21","18:00:00",""
"4125658","11.612","0.0006","12.9629","0.0006","22.2541","0.0011","90","","91.391","0.003","90","","3348.8","0.3","240","","240","","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","","","- C74 H94 O12 -","- C74 H94 O12 -","- C148 H188 O24 -","2","0.5","","Jie, Kecheng; Liu, Ming; Zhou, Yujuan; Little, Marc A.; Bonakala, Satyanarayana; Chong, Samantha Y.; Stephenson, Andrew; Chen, Linjiang; Huang, Feihe; Cooper, Andrew I.","Styrene Purification by Guest-Induced Restructuring of Pillar[6]arene.","Journal of the American Chemical Society","2017","139","8","2908","2911","10.1021/jacs.6b13300","","x-ray","1.54178","CuKα","","0.0765","0.0586","","","0.1506","0.1663","","","","","","1.041","","","","has coordinates,has disorder","193055","2020-10-21","18:00:00",""
"4125659","11.9397","0.0009","21.1861","0.0016","23.6062","0.0017","89.286","0.002","87.831","0.002","81.84","0.002","5906.5","0.8","150","","150","","","","","","","","","3","P -1","-P 1","2","","","","- C63 H86 O12 -","- C63 H86 O12 -","- C252 H344 O48 -","4","2","","Jie, Kecheng; Liu, Ming; Zhou, Yujuan; Little, Marc A.; Bonakala, Satyanarayana; Chong, Samantha Y.; Stephenson, Andrew; Chen, Linjiang; Huang, Feihe; Cooper, Andrew I.","Styrene Purification by Guest-Induced Restructuring of Pillar[6]arene.","Journal of the American Chemical Society","2017","139","8","2908","2911","10.1021/jacs.6b13300","","x-ray","0.71073","MoKα","","0.1203","0.0681","","","0.1672","0.197","","","","","","1.024","","","","has coordinates,has disorder","193056","2020-10-21","18:00:00",""
"4125660","13.4593","0.0003","24.9166","0.0006","30.9993","0.0008","79.836","0.002","87.531","0.002","74.592","0.002","9864.9","0.4","173","2","173","2","","","","","","","","7","P -1","-P 1","2","","","","- C112 H102 B2 F8 N4 O5 Pd -","- C104 H84 B2 F8 N4 O4 Pd -","- C416 H336 B8 F32 N16 O16 Pd4 -","4","2","","Van Raden, Jeff M.; Louie, Shayan; Zakharov, Lev N.; Jasti, Ramesh","2,2'-Bipyridyl-Embedded Cycloparaphenylenes as a General Strategy To Investigate Nanohoop-Based Coordination Complexes.","Journal of the American Chemical Society","2017","139","8","2936","2939","10.1021/jacs.7b00359","","","1.54178","CuKα","","0.1177","0.0816","","","0.2149","0.2354","","","","","","1.071","","","","has coordinates","193057","2020-10-21","18:00:00",""
"4125661","11.229","0.016","6.209","0.009","14.14","0.02","90","","113.29","0.02","90","","906","2","130","2","130","","","","","","","","","3","P 1 21 1","P 2yb","4","","","","- C22 H34 O4 -","- C22 H34 O4 -","- C44 H68 O8 -","2","1","","Zhao, Xiangbo; Li, Wu; Wang, Junjie; Ma, Dawei","Convergent Route to ent-Kaurane Diterpenoids: Total Synthesis of Lungshengenin D and 1α,6α-Diacetoxy-ent-kaura-9(11),16-dien-12,15-dione.","Journal of the American Chemical Society","2017","139","8","2932","2935","10.1021/jacs.7b00140","","","0.71073","MoKα","","0.2564","0.0959","","","0.1869","0.2626","","","","","","0.953","","","","has coordinates","193058","2020-10-21","18:00:00",""
"4125662","7.4292","0.0018","12.851","0.003","23.312","0.006","90","","90","","90","","2225.7","0.9","293","2","293","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C23 H32 Cl2 O4 -","- C23 H32 Cl2 O4 -","- C92 H128 Cl8 O16 -","4","1","","Zhao, Xiangbo; Li, Wu; Wang, Junjie; Ma, Dawei","Convergent Route to ent-Kaurane Diterpenoids: Total Synthesis of Lungshengenin D and 1α,6α-Diacetoxy-ent-kaura-9(11),16-dien-12,15-dione.","Journal of the American Chemical Society","2017","139","8","2932","2935","10.1021/jacs.7b00140","","","0.71073","MoKα","","0.104","0.0581","","","0.1301","0.1482","","","","","","0.999","","","","has coordinates","193059","2020-10-21","18:00:00",""
"4125663","7.7145","0.0009","9.0116","0.0011","14.7861","0.0017","84.679","0.002","80.262","0.002","67.698","0.002","936.87","0.19","130","","130","","","","","","","","","3","P -1","-P 1","2","","","","- C22 H30 O4 -","- C22 H30 O4 -","- C44 H60 O8 -","2","1","","Zhao, Xiangbo; Li, Wu; Wang, Junjie; Ma, Dawei","Convergent Route to ent-Kaurane Diterpenoids: Total Synthesis of Lungshengenin D and 1α,6α-Diacetoxy-ent-kaura-9(11),16-dien-12,15-dione.","Journal of the American Chemical Society","2017","139","8","2932","2935","10.1021/jacs.7b00140","","","0.71073","MoKα","","0.0624","0.0464","","","0.1159","0.1269","","","","","","1.028","","","","has coordinates","193060","2020-10-21","18:00:00",""
"4125664","6.1968","0.0011","17.198","0.003","8.2164","0.0015","90","","109.494","0.004","90","","825.4","0.3","293","2","293","2","","","","","","","","3","P 1 21 1","P 2yb","4","","","","- C20 H24 O4 -","- C20 H24 O4 -","- C40 H48 O8 -","2","1","","Zhao, Xiangbo; Li, Wu; Wang, Junjie; Ma, Dawei","Convergent Route to ent-Kaurane Diterpenoids: Total Synthesis of Lungshengenin D and 1α,6α-Diacetoxy-ent-kaura-9(11),16-dien-12,15-dione.","Journal of the American Chemical Society","2017","139","8","2932","2935","10.1021/jacs.7b00140","","","0.71073","MoKα","","0.0515","0.0462","","","0.1108","0.1151","","","","","","1.048","","","","has coordinates","193061","2020-10-21","18:00:00",""
"4125665","20.323","0.002","7.6843","0.0008","23.998","0.003","90","","90","","90","","3747.7","0.7","130","","130","","","","","","","","","3","P c a 21","P 2c -2ac","29","","","","- C22 H30 O4 -","- C22 H30 O4 -","- C176 H240 O32 -","8","2","","Zhao, Xiangbo; Li, Wu; Wang, Junjie; Ma, Dawei","Convergent Route to ent-Kaurane Diterpenoids: Total Synthesis of Lungshengenin D and 1α,6α-Diacetoxy-ent-kaura-9(11),16-dien-12,15-dione.","Journal of the American Chemical Society","2017","139","8","2932","2935","10.1021/jacs.7b00140","","","0.71073","MoKα","","0.0787","0.0528","","","0.1069","0.1187","","","","","","1.012","","","","has coordinates","193062","2020-10-21","18:00:00",""
"4125666","26.455","0.003","25.742","0.003","13.1609","0.0015","90","","90","","90","","8962.6","1.8","150","2","150","2","","","","","","","","6","P c c n","-P 2ab 2ac","56","CB8 Diadamantane 2,6-diammonium","CB8 Diadamantane 2,6-diammonium iodide chloride hydrate","","- C62 H111 Cl0.5 I1.5 N34 O35.5 -","- C62 H72 Cl0.5 I1.5 N34 O21.64 -","- C248 H288 Cl2 I6 N136 O86.56 -","4","0.5","","Sigwalt, David; Šekutor, Marina; Cao, Liping; Zavalij, Peter Y.; Hostaš, Jiří; Ajani, Haresh; Hobza, Pavel; Mlinarić-Majerski, Kata; Glaser, Robert; Isaacs, Lyle","Unraveling the Structure-Affinity Relationship between Cucurbit[n]urils (n = 7, 8) and Cationic Diamondoids.","Journal of the American Chemical Society","2017","139","8","3249","3258","10.1021/jacs.7b00056","","","0.71073","MoKα","","0.0656","0.0598","","","0.127","0.1295","","","","","","1.021","","","","has coordinates,has disorder","193063","2020-10-21","18:00:00",""
"4125667","24.202","0.002","31.566","0.003","42.811","0.004","90","","90","","90","","32706","5","150","2","150","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","CB7 diadamandate bis(anime dimethyl butylhydroxide iodide)","","- C68 H124 I2 N30 O33 -","- C68 H90 I0.5 N30 O18.836 -","- C1088 H1440 I8 N480 O301.376 -","16","2","","Sigwalt, David; Šekutor, Marina; Cao, Liping; Zavalij, Peter Y.; Hostaš, Jiří; Ajani, Haresh; Hobza, Pavel; Mlinarić-Majerski, Kata; Glaser, Robert; Isaacs, Lyle","Unraveling the Structure-Affinity Relationship between Cucurbit[n]urils (n = 7, 8) and Cationic Diamondoids.","Journal of the American Chemical Society","2017","139","8","3249","3258","10.1021/jacs.7b00056","","","0.71073","MoKα","","0.1175","0.0936","","","0.1789","0.1932","","","","","","0.928","","","","has coordinates","193064","2020-10-21","18:00:00",""
"4125668","35.943","0.012","13.474","0.005","33.885","0.012","90","","90","","90","","16410","10","200","2","200","2","","","","","","","","5","P c a 21","P 2c -2ac","29","","CB","","- C55 H110.5 I N29 O36.25 -","- C55 H66 I0.763 N29 O14 -","- C440 H528 I6.104 N232 O112 -","8","2","","Sigwalt, David; Šekutor, Marina; Cao, Liping; Zavalij, Peter Y.; Hostaš, Jiří; Ajani, Haresh; Hobza, Pavel; Mlinarić-Majerski, Kata; Glaser, Robert; Isaacs, Lyle","Unraveling the Structure-Affinity Relationship between Cucurbit[n]urils (n = 7, 8) and Cationic Diamondoids.","Journal of the American Chemical Society","2017","139","8","3249","3258","10.1021/jacs.7b00056","","","0.71073","MoKα","","0.0845","0.0696","","","0.1558","0.1633","","","","","","1.015","","","","has coordinates,has disorder","193065","2020-10-21","18:00:00",""
"4125669","38.267","0.003","38.267","0.003","38.267","0.003","90","","90","","90","","56037","8","150","2","150","2","","","","","","","","6","I 2 3","I 2 2 3","197","","Na2[CB7@adm]3I5.57H2O","","- C165 H311.5 I5 N87 Na2 O98.75 -","- C165 H198 I4.953 N87 Na2 O90.532 -","- C1320 H1584 I39.624 N696 Na16 O724.256 -","8","0.333333","","Sigwalt, David; Šekutor, Marina; Cao, Liping; Zavalij, Peter Y.; Hostaš, Jiří; Ajani, Haresh; Hobza, Pavel; Mlinarić-Majerski, Kata; Glaser, Robert; Isaacs, Lyle","Unraveling the Structure-Affinity Relationship between Cucurbit[n]urils (n = 7, 8) and Cationic Diamondoids.","Journal of the American Chemical Society","2017","139","8","3249","3258","10.1021/jacs.7b00056","","","0.71073","MoKα","","0.0832","0.0666","","","0.1525","0.1618","","","","","","1.145","","","","has coordinates,has disorder","193066","2020-10-21","18:00:00",""
"4125670","14.128","0.004","15.305","0.004","22.851","0.006","78.395","0.003","82.588","0.003","77.521","0.003","4707","2","195","2","195","2","","","","","","","","5","P -1","-P 1","2","","CB8","","- C66 H138 I2 N34 O45 -","- C66 H80 I2 N34 O16 -","- C132 H160 I4 N68 O32 -","2","1","","Sigwalt, David; Šekutor, Marina; Cao, Liping; Zavalij, Peter Y.; Hostaš, Jiří; Ajani, Haresh; Hobza, Pavel; Mlinarić-Majerski, Kata; Glaser, Robert; Isaacs, Lyle","Unraveling the Structure-Affinity Relationship between Cucurbit[n]urils (n = 7, 8) and Cationic Diamondoids.","Journal of the American Chemical Society","2017","139","8","3249","3258","10.1021/jacs.7b00056","","","0.71073","MoKα","","0.1448","0.1136","","","0.2294","0.24","","","","","","1.055","","","","has coordinates","193067","2020-10-21","18:00:00",""
"4125671","28.832","0.002","28.832","0.002","18.2998","0.0015","90","","90","","90","","15212.3","1.9","150","2","150","2","","","","","","","","5","I 4/m","-I 4","87","","CB7","","- C59 H93 I N29 O25.5 -","- C59 H70 I0.87 N29 O17.204 -","- C472 H560 I6.96 N232 O137.632 -","8","0.5","","Sigwalt, David; Šekutor, Marina; Cao, Liping; Zavalij, Peter Y.; Hostaš, Jiří; Ajani, Haresh; Hobza, Pavel; Mlinarić-Majerski, Kata; Glaser, Robert; Isaacs, Lyle","Unraveling the Structure-Affinity Relationship between Cucurbit[n]urils (n = 7, 8) and Cationic Diamondoids.","Journal of the American Chemical Society","2017","139","8","3249","3258","10.1021/jacs.7b00056","","","0.71073","MoKα","","0.064","0.0489","","","0.097","0.1035","","","","","","1.134","","","","has coordinates,has disorder","193068","2020-10-21","18:00:00",""
"4125672","22.677","0.002","22.677","0.002","17.973","0.001","90","","90","","120","","8004.3","1.1","100","0.1","100","0.1","","","","","","","","5","P 6/m m m","-P 6 2","191","","","","- C154 H150 N17 O47 Tb9 -","- C144 H78 N12 O47 Tb9 -","- C144 H78 N12 O47 Tb9 -","1","0.0416667","","Chen, Zhijie; Weseliński, Łukasz J; Adil, Karim; Belmabkhout, Youssef; Shkurenko, Aleksander; Jiang, Hao; Bhatt, Prashant M.; Guillerm, Vincent; Dauzon, Emilie; Xue, Dong-Xu; O'Keeffe, Michael; Eddaoudi, Mohamed","Applying the Power of Reticular Chemistry to Finding the Missing alb-MOF Platform Based on the (6,12)-Coordinated Edge-Transitive Net.","Journal of the American Chemical Society","2017","139","8","3265","3274","10.1021/jacs.7b00219","","","1.54178","CuKα","","0.1767","0.1733","","","0.3435","0.3443","","","","","","1.09","","","","has coordinates,has disorder","193069","2020-10-21","18:00:00",""
"4125673","19.985","0.002","17.414","0.001","20.09","0.002","90","","115.567","0.005","90","","6307.1","1","100","2","100.15","","","","","","","","","6","P 1 2/m 1","-P 2y","10","","","","- C160 H136 F2 N4 O38 Tb6 -","- C138 H81 O36 Tb6 -","- C138 H81 O36 Tb6 -","1","0.25","","Chen, Zhijie; Weseliński, Łukasz J; Adil, Karim; Belmabkhout, Youssef; Shkurenko, Aleksander; Jiang, Hao; Bhatt, Prashant M.; Guillerm, Vincent; Dauzon, Emilie; Xue, Dong-Xu; O'Keeffe, Michael; Eddaoudi, Mohamed","Applying the Power of Reticular Chemistry to Finding the Missing alb-MOF Platform Based on the (6,12)-Coordinated Edge-Transitive Net.","Journal of the American Chemical Society","2017","139","8","3265","3274","10.1021/jacs.7b00219","","x-ray","1.54184","CuKα","","0.2106","0.1843","","","0.4757","0.5045","","","","","","2.015","","","","has coordinates,has disorder","193070","2020-10-21","18:00:00",""
"4125674","18.998","0.001","17.5118","0.0007","19.567","0.001","90","","115.009","0.008","90","","5899.4","0.6","100","0.1","100","0.1","","","","","","","","6","P 1 2/m 1","-P 2y","10","","","","- C160 H136 F2 N4 O38 Y6 -","- C152 H92 F2 O38 Y6 -","- C152 H92 F2 O38 Y6 -","1","0.25","","Chen, Zhijie; Weseliński, Łukasz J; Adil, Karim; Belmabkhout, Youssef; Shkurenko, Aleksander; Jiang, Hao; Bhatt, Prashant M.; Guillerm, Vincent; Dauzon, Emilie; Xue, Dong-Xu; O'Keeffe, Michael; Eddaoudi, Mohamed","Applying the Power of Reticular Chemistry to Finding the Missing alb-MOF Platform Based on the (6,12)-Coordinated Edge-Transitive Net.","Journal of the American Chemical Society","2017","139","8","3265","3274","10.1021/jacs.7b00219","","x-ray","1.54184","CuKα","","0.1597","0.1342","","","0.3634","0.3841","","","","","","1.41","","","","has coordinates,has disorder","193071","2020-10-21","18:00:00",""
"4125675","23.041","0.002","23.041","0.002","17.576","0.002","90","","90","","120","","8080.8","1.4","100","0.1","100","0.1","","","","","","","","7","P 6/m m m","-P 6 2","191","","","","- C154 H148 Cl3 Fe3 N17 O47 Y9 -","- C144 H72 Cl3 Fe3 N12 O47 Y9 -","- C144 H72 Cl3 Fe3 N12 O47 Y9 -","1","0.0416667","","Chen, Zhijie; Weseliński, Łukasz J; Adil, Karim; Belmabkhout, Youssef; Shkurenko, Aleksander; Jiang, Hao; Bhatt, Prashant M.; Guillerm, Vincent; Dauzon, Emilie; Xue, Dong-Xu; O'Keeffe, Michael; Eddaoudi, Mohamed","Applying the Power of Reticular Chemistry to Finding the Missing alb-MOF Platform Based on the (6,12)-Coordinated Edge-Transitive Net.","Journal of the American Chemical Society","2017","139","8","3265","3274","10.1021/jacs.7b00219","","","1.54178","CuKα","","0.0833","0.0818","","","0.2374","0.2388","","","","","","1.026","","","","has coordinates,has disorder","193072","2020-10-21","18:00:00",""
"4125676","22.689","0.003","22.689","0.003","17.861","0.003","90","","90","","120","","7963","2","100","0.1","100","0.1","","","","","","","","5","P 6/m m m","-P 6 2","191","","","","- C154 H150 N17 O47 Y9 -","- C144 H84 N12 O47 Y9 -","- C144 H84 N12 O47 Y9 -","1","0.0416667","","Chen, Zhijie; Weseliński, Łukasz J; Adil, Karim; Belmabkhout, Youssef; Shkurenko, Aleksander; Jiang, Hao; Bhatt, Prashant M.; Guillerm, Vincent; Dauzon, Emilie; Xue, Dong-Xu; O'Keeffe, Michael; Eddaoudi, Mohamed","Applying the Power of Reticular Chemistry to Finding the Missing alb-MOF Platform Based on the (6,12)-Coordinated Edge-Transitive Net.","Journal of the American Chemical Society","2017","139","8","3265","3274","10.1021/jacs.7b00219","","","1.54178","CuKα","","0.1169","0.1101","","","0.2851","0.2889","","","","","","1.032","","","","has coordinates,has disorder","193073","2020-10-21","18:00:00",""
"4125677","39.039","0.002","39.039","0.002","24.901","0.001","90","","90","","120","","32866","3","100","0.1","100","0.1","","","","","","","","5","P 6/m","-P 6","175","","","","- C68.75 H49.58 In3 N0.58 O21.33 -","- C69.0001 H43.75 In3 N0.58335 O21.5833 -","- C828.001 H525 In36 N7.0002 O259 -","12","1","","Chen, Zhijie; Weseliński, Łukasz J; Adil, Karim; Belmabkhout, Youssef; Shkurenko, Aleksander; Jiang, Hao; Bhatt, Prashant M.; Guillerm, Vincent; Dauzon, Emilie; Xue, Dong-Xu; O'Keeffe, Michael; Eddaoudi, Mohamed","Applying the Power of Reticular Chemistry to Finding the Missing alb-MOF Platform Based on the (6,12)-Coordinated Edge-Transitive Net.","Journal of the American Chemical Society","2017","139","8","3265","3274","10.1021/jacs.7b00219","","","1.54184","CuKα","","0.0827","0.0634","","","0.1964","0.2144","","","","","","0.85","","","","has coordinates,has disorder","193074","2020-10-21","18:00:00",""
"4125678","22.779","0.002","22.779","0.002","17.808","0.002","90","","90","","120","","8002.3","1.3","100","0.1","100","0.1","","","","","","","","6","P 6/m m m","-P 6 2","191","","","","- C154 H154 N17 O50 Y9 Zn3 -","- C144 H72 N12 O50 Y9 Zn3 -","- C144 H72 N12 O50 Y9 Zn3 -","1","0.0416667","","Chen, Zhijie; Weseliński, Łukasz J; Adil, Karim; Belmabkhout, Youssef; Shkurenko, Aleksander; Jiang, Hao; Bhatt, Prashant M.; Guillerm, Vincent; Dauzon, Emilie; Xue, Dong-Xu; O'Keeffe, Michael; Eddaoudi, Mohamed","Applying the Power of Reticular Chemistry to Finding the Missing alb-MOF Platform Based on the (6,12)-Coordinated Edge-Transitive Net.","Journal of the American Chemical Society","2017","139","8","3265","3274","10.1021/jacs.7b00219","","","1.54178","CuKα","","0.1386","0.1283","","","0.267","0.2693","","","","","","1.051","","","","has coordinates,has disorder","193075","2020-10-21","18:00:00",""
"4125679","24.0888","0.0008","24.0888","0.0008","23.9689","0.0009","90","","90","","120","","12045.1","0.7","100","2","100","0.1","","","","","","","","4","P 6/m c c","-P 6 2c","192","","","","- C132 H90 Cu6 O36 -","- C132 H78 Cu6 O36 -","- C264 H156 Cu12 O72 -","2","0.0833333","","Chen, Zhijie; Weseliński, Łukasz J; Adil, Karim; Belmabkhout, Youssef; Shkurenko, Aleksander; Jiang, Hao; Bhatt, Prashant M.; Guillerm, Vincent; Dauzon, Emilie; Xue, Dong-Xu; O'Keeffe, Michael; Eddaoudi, Mohamed","Applying the Power of Reticular Chemistry to Finding the Missing alb-MOF Platform Based on the (6,12)-Coordinated Edge-Transitive Net.","Journal of the American Chemical Society","2017","139","8","3265","3274","10.1021/jacs.7b00219","","","1.54178","CuKα","","0.2214","0.1845","","","0.5151","0.5606","","","","","","2.837","","","","has coordinates,has disorder","193076","2020-10-21","18:00:00",""
"4125680","24.1524","0.001","40.1868","0.0017","23.7972","0.0015","90","","118.944","0.002","90","","20212.7","1.8","100","2","100","2","","","","","","","","5","C 1 2/m 1","-C 2y","12","PgC3OH, py, DMF, Mg","C-propan-3-ol pyrogallol[4]arene, pyridine, dimethylformamide, Magnesium","","- C352 H316 N24 Ni24 O124 -","- C352 H316 N24 Ni24 O124 -","- C704 H632 N48 Ni48 O248 -","2","0.25","","Zhang, Chen; Patil, Rahul S.; Liu, Chong; Barnes, Charles L.; Atwood, Jerry L.","Controlled 2D Assembly of Nickel-Seamed Hexameric Pyrogallol[4]arene Nanocapsules.","Journal of the American Chemical Society","2017","139","8","2920","2923","10.1021/jacs.7b00037","","","1.54178","CuKα","","0.1166","0.0898","","","0.2664","0.3089","","","","","","1.05","","","","has coordinates,has disorder","193077","2020-10-21","18:00:00",""
"4125681","37.979","0.001","37.979","0.001","22.4734","0.0007","90","","90","","120","","28072.8","1.4","100","2","100","2","","","","","","","","5","P -3","-P 3","147","PgC3OH, DMF, Ni","C-propan-3-ol pyrogallol[4]arene, dimethylformamide, nickel","","- C246 H204 N2 Ni24 O138 -","- C246 H204 N2 Ni24 O138 -","- C738 H612 N6 Ni72 O414 -","3","0.5","","Zhang, Chen; Patil, Rahul S.; Liu, Chong; Barnes, Charles L.; Atwood, Jerry L.","Controlled 2D Assembly of Nickel-Seamed Hexameric Pyrogallol[4]arene Nanocapsules.","Journal of the American Chemical Society","2017","139","8","2920","2923","10.1021/jacs.7b00037","","","1.54178","CuKα","","0.2247","0.1573","","","0.4324","0.5132","","","","","","1.984","","","","has coordinates","193078","2020-10-21","18:00:00",""
"4125682","5.93","0.0003","7.2867","0.0005","20.9055","0.0013","90","","90.331","0.003","90","","903.31","0.1","100","","100","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C10 H10 O2 S -","- C10 H10 O2 S -","- C40 H40 O8 S4 -","4","1","","Lopchuk, Justin M.; Fjelbye, Kasper; Kawamata, Yu; Malins, Lara R.; Pan, Chung-Mao; Gianatassio, Ryan; Wang, Jie; Prieto, Liher; Bradow, James; Brandt, Thomas A.; Collins, Michael R.; Elleraas, Jeff; Ewanicki, Jason; Farrell, William; Fadeyi, Olugbeminiyi O.; Gallego, Gary M.; Mousseau, James J.; Oliver, Robert; Sach, Neal W.; Smith, Jason K.; Spangler, Jillian E.; Zhu, Huichin; Zhu, Jinjiang; Baran, Phil S.","Strain-Release Heteroatom Functionalization: Development, Scope, and Stereospecificity.","Journal of the American Chemical Society","2017","139","8","3209","3226","10.1021/jacs.6b13229","","x-ray","0.71073","MoKα","","0.0435","0.0352","","","0.0817","0.0871","","","","","","1.064","","","","has coordinates","193079","2020-10-21","18:00:00",""
"4125683","5.4305","0.0005","14.9364","0.0014","12.9201","0.0012","90","","91.931","0.002","90","","1047.38","0.17","100","","100","","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C23 H27 F2 N O2 S -","- C23 H27 F2 N O2 S -","- C46 H54 F4 N2 O4 S2 -","2","1","","Lopchuk, Justin M.; Fjelbye, Kasper; Kawamata, Yu; Malins, Lara R.; Pan, Chung-Mao; Gianatassio, Ryan; Wang, Jie; Prieto, Liher; Bradow, James; Brandt, Thomas A.; Collins, Michael R.; Elleraas, Jeff; Ewanicki, Jason; Farrell, William; Fadeyi, Olugbeminiyi O.; Gallego, Gary M.; Mousseau, James J.; Oliver, Robert; Sach, Neal W.; Smith, Jason K.; Spangler, Jillian E.; Zhu, Huichin; Zhu, Jinjiang; Baran, Phil S.","Strain-Release Heteroatom Functionalization: Development, Scope, and Stereospecificity.","Journal of the American Chemical Society","2017","139","8","3209","3226","10.1021/jacs.6b13229","","x-ray","0.71073","MoKα","","0.044","0.0354","","","0.0751","0.0794","","","","","","1.038","","","","has coordinates","193080","2020-10-21","18:00:00",""
"4125684","13.4547","0.001","8.861","0.0007","11.071","0.001","90","","93.662","0.003","90","","1317.21","0.19","100","","100","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C12 H22 N2 O3 -","- C12 H22 N2 O3 -","- C48 H88 N8 O12 -","4","1","","Lopchuk, Justin M.; Fjelbye, Kasper; Kawamata, Yu; Malins, Lara R.; Pan, Chung-Mao; Gianatassio, Ryan; Wang, Jie; Prieto, Liher; Bradow, James; Brandt, Thomas A.; Collins, Michael R.; Elleraas, Jeff; Ewanicki, Jason; Farrell, William; Fadeyi, Olugbeminiyi O.; Gallego, Gary M.; Mousseau, James J.; Oliver, Robert; Sach, Neal W.; Smith, Jason K.; Spangler, Jillian E.; Zhu, Huichin; Zhu, Jinjiang; Baran, Phil S.","Strain-Release Heteroatom Functionalization: Development, Scope, and Stereospecificity.","Journal of the American Chemical Society","2017","139","8","3209","3226","10.1021/jacs.6b13229","","x-ray","0.71073","MoKα","","0.0544","0.0395","","","0.0872","0.0951","","","","","","1.05","","","","has coordinates","193081","2020-10-21","18:00:00",""
"4125685","6.7986","0.0006","11.0791","0.0009","13.905","0.0011","90","","90","","90","","1047.36","0.15","100","","100","","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C11 H10 F2 O2 S -","- C11 H10 F2 O2 S -","- C44 H40 F8 O8 S4 -","4","1","","Lopchuk, Justin M.; Fjelbye, Kasper; Kawamata, Yu; Malins, Lara R.; Pan, Chung-Mao; Gianatassio, Ryan; Wang, Jie; Prieto, Liher; Bradow, James; Brandt, Thomas A.; Collins, Michael R.; Elleraas, Jeff; Ewanicki, Jason; Farrell, William; Fadeyi, Olugbeminiyi O.; Gallego, Gary M.; Mousseau, James J.; Oliver, Robert; Sach, Neal W.; Smith, Jason K.; Spangler, Jillian E.; Zhu, Huichin; Zhu, Jinjiang; Baran, Phil S.","Strain-Release Heteroatom Functionalization: Development, Scope, and Stereospecificity.","Journal of the American Chemical Society","2017","139","8","3209","3226","10.1021/jacs.6b13229","","x-ray","0.71073","MoKα","","0.0401","0.0376","","","0.0953","0.0978","","","","","","1.05","","","","has coordinates","193082","2020-10-21","18:00:00",""
"4125686","5.5183","0.001","12.654","0.003","12.84","0.002","81.396","0.008","81.489","0.007","77.545","0.007","859.4","0.3","100.15","","100.15","","","","","","","","","6","P -1","-P 1","2","","","","- C18 H19 F2 N O2 S -","- C18 H19 F2 N O2 S -","- C36 H38 F4 N2 O4 S2 -","2","1","","Lopchuk, Justin M.; Fjelbye, Kasper; Kawamata, Yu; Malins, Lara R.; Pan, Chung-Mao; Gianatassio, Ryan; Wang, Jie; Prieto, Liher; Bradow, James; Brandt, Thomas A.; Collins, Michael R.; Elleraas, Jeff; Ewanicki, Jason; Farrell, William; Fadeyi, Olugbeminiyi O.; Gallego, Gary M.; Mousseau, James J.; Oliver, Robert; Sach, Neal W.; Smith, Jason K.; Spangler, Jillian E.; Zhu, Huichin; Zhu, Jinjiang; Baran, Phil S.","Strain-Release Heteroatom Functionalization: Development, Scope, and Stereospecificity.","Journal of the American Chemical Society","2017","139","8","3209","3226","10.1021/jacs.6b13229","","x-ray","0.71073","MoKα","","0.0532","0.0403","","","0.0945","0.1008","","","","","","1.051","","","","has coordinates","193083","2020-10-21","18:00:00",""
"4125687","9.5438","0.0002","5.9781","0.0001","35.8879","0.0007","90","","90.349","0.001","90","","2047.5","0.07","100","","100","","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C22 H26 F2 N2 O2 S -","- C22 H26 F2 N2 O2 S -","- C88 H104 F8 N8 O8 S4 -","4","2","","Lopchuk, Justin M.; Fjelbye, Kasper; Kawamata, Yu; Malins, Lara R.; Pan, Chung-Mao; Gianatassio, Ryan; Wang, Jie; Prieto, Liher; Bradow, James; Brandt, Thomas A.; Collins, Michael R.; Elleraas, Jeff; Ewanicki, Jason; Farrell, William; Fadeyi, Olugbeminiyi O.; Gallego, Gary M.; Mousseau, James J.; Oliver, Robert; Sach, Neal W.; Smith, Jason K.; Spangler, Jillian E.; Zhu, Huichin; Zhu, Jinjiang; Baran, Phil S.","Strain-Release Heteroatom Functionalization: Development, Scope, and Stereospecificity.","Journal of the American Chemical Society","2017","139","8","3209","3226","10.1021/jacs.6b13229","","","1.54178","CuKα","","0.0364","0.0335","","","0.0872","0.0973","","","","","","1.1535","","","","has coordinates","278046","2022-09-21","15:45:41",""
"4125688","63.0604","0.0012","6.0203","0.0001","9.4894","0.0002","90","","98.123","0.001","90","","3566.44","0.12","125","","125","","","","","","","","","6","C 1 2 1","C 2y","5","","","","- C20 H21 F2 N O2 S -","- C20 H21 F2 N O2 S -","- C160 H168 F16 N8 O16 S8 -","8","2","","Lopchuk, Justin M.; Fjelbye, Kasper; Kawamata, Yu; Malins, Lara R.; Pan, Chung-Mao; Gianatassio, Ryan; Wang, Jie; Prieto, Liher; Bradow, James; Brandt, Thomas A.; Collins, Michael R.; Elleraas, Jeff; Ewanicki, Jason; Farrell, William; Fadeyi, Olugbeminiyi O.; Gallego, Gary M.; Mousseau, James J.; Oliver, Robert; Sach, Neal W.; Smith, Jason K.; Spangler, Jillian E.; Zhu, Huichin; Zhu, Jinjiang; Baran, Phil S.","Strain-Release Heteroatom Functionalization: Development, Scope, and Stereospecificity.","Journal of the American Chemical Society","2017","139","8","3209","3226","10.1021/jacs.6b13229","","x-ray","1.54178","CuKα","","0.0372","0.0338","","","0.079","0.0809","","","","","","1.076","","","","has coordinates","193085","2020-10-21","18:00:00",""
"4125689","7.9193","0.0011","8.1426","0.0012","10.5945","0.0018","104.903","0.004","109.324","0.003","99.177","0.003","600.17","0.16","100","","100","","","","","","","","","5","P 1","P 1","1","","","","- C12 H11 F3 O2 S -","- C12 H11 F3 O2 S -","- C24 H22 F6 O4 S2 -","2","2","","Lopchuk, Justin M.; Fjelbye, Kasper; Kawamata, Yu; Malins, Lara R.; Pan, Chung-Mao; Gianatassio, Ryan; Wang, Jie; Prieto, Liher; Bradow, James; Brandt, Thomas A.; Collins, Michael R.; Elleraas, Jeff; Ewanicki, Jason; Farrell, William; Fadeyi, Olugbeminiyi O.; Gallego, Gary M.; Mousseau, James J.; Oliver, Robert; Sach, Neal W.; Smith, Jason K.; Spangler, Jillian E.; Zhu, Huichin; Zhu, Jinjiang; Baran, Phil S.","Strain-Release Heteroatom Functionalization: Development, Scope, and Stereospecificity.","Journal of the American Chemical Society","2017","139","8","3209","3226","10.1021/jacs.6b13229","","x-ray","0.71073","MoKα","","0.039","0.0335","","","0.0794","0.0829","","","","","","1.025","","","","has coordinates,has disorder","193086","2020-10-21","18:00:00",""
"4125690","20.4678","0.0007","7.5827","0.0003","32.8729","0.0011","90","","90","","90","","5101.9","0.3","230","2","230","2","","","","","","","","5","P c a 21","P 2c -2ac","29","","","","- C27 H33 B N2 O4 -","- C27 H33 B N2 O4 -","- C216 H264 B8 N16 O32 -","8","2","","McFadden, Timothy R.; Fang, Cheng; Geib, Steven J.; Merling, Everett; Liu, Peng; Curran, Dennis P.","Synthesis of Boriranes by Double Hydroboration Reactions of N-Heterocyclic Carbene Boranes and Dimethyl Acetylenedicarboxylate.","Journal of the American Chemical Society","2017","139","5","1726","1729","10.1021/jacs.6b09873","","","1.54178","CuKα","","0.1294","0.0964","","","0.2146","0.2282","","","","","","1.649","","","","has coordinates,has disorder","193087","2020-10-21","18:00:00",""
"4125691","6.2528","0.0004","12.5234","0.0008","10.2768","0.0006","90","","91.269","0.002","90","","804.54","0.09","150","2","150","2","","","","","","","","5","P 1 n 1","P -2yac","7","Nickel Pyridine carboxylate","'Nickel Pyridine carboxylate'","","- C15 H15 N3 Ni O5 -","- C15 H15 N3 Ni O5 -","- C30 H30 N6 Ni2 O10 -","2","1","","Nandi, Shyamapada; Collins, Sean; Chakraborty, Debanjan; Banerjee, Debasis; Thallapally, Praveen K.; Woo, Tom K.; Vaidhyanathan, Ramanathan","Ultralow Parasitic Energy for Postcombustion CO2 Capture Realized in a Nickel Isonicotinate Metal-Organic Framework with Excellent Moisture Stability.","Journal of the American Chemical Society","2017","139","5","1734","1737","10.1021/jacs.6b10455","","","1.54178","CuKα","","0.038","0.0379","","","0.1032","0.1033","","","","","","1.055","","","","has coordinates","193088","2020-10-21","18:00:00",""
"4125692","7.742","0.003","7.223","0.003","5.956","0.002","90","","92.953","0.006","90","","332.6","0.2","200","2","200","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C7 H8 S -","- C7 H8 S -","- C14 H16 S2 -","2","0.5","","Forbes, Christina R.; Sinha, Sudipta K.; Ganguly, Himal K.; Bai, Shi; Yap, Glenn P. A.; Patel, Sandeep; Zondlo, Neal J.","Insights into Thiol-Aromatic Interactions: A Stereoelectronic Basis for S-H/π Interactions.","Journal of the American Chemical Society","2017","139","5","1842","1855","10.1021/jacs.6b08415","","","0.71073","MoKα","","0.0809","0.0575","","","0.1597","0.1745","","","","","","1.077","","","","has coordinates,has disorder","193089","2020-10-21","18:00:00",""
"4125693","13.3911","0.0004","14.404","0.0005","17.522","0.0005","94.495","0.002","94.496","0.002","101.582","0.003","3285.37","0.18","172.95","0.1","172.95","0.1","","","","","","","","8","P -1","-P 1","2","","","","- C68 H60 Cl F6 N O2 Os P4 -","- C68 H60 Cl F6 N O2 Os P4 -","- C136 H120 Cl2 F12 N2 O4 Os2 P8 -","2","1","","Luo, Ming; Long, Lipeng; Zhang, Hong; Yang, Yuhui; Hua, Yuhui; Liu, Gang; Lin, Zhenyang; Xia, Haiping","Reactions of Isocyanides with Metal Carbyne Complexes: Isolation and Characterization of Metallacyclopropenimine Intermediates.","Journal of the American Chemical Society","2017","139","5","1822","1825","10.1021/jacs.6b13275","","","0.71073","MoKα","","0.0287","0.0262","","","0.0687","0.0707","","","","","","1.084","","","","has coordinates","193090","2020-10-21","18:00:00",""
"4125694","21.9542","0.0004","17.4974","0.0003","22.3684","0.0004","90","","119.343","0.001","90","","7490.2","0.2","173","2","173","2","","","","","","","","8","P 1 21/n 1","-P 2yn","14","","","","- C72 H60 Cl2 N O4 Os P3 S -","- C72 H60 Cl2 N O4 Os P3 S -","- C288 H240 Cl8 N4 O16 Os4 P12 S4 -","4","1","","Luo, Ming; Long, Lipeng; Zhang, Hong; Yang, Yuhui; Hua, Yuhui; Liu, Gang; Lin, Zhenyang; Xia, Haiping","Reactions of Isocyanides with Metal Carbyne Complexes: Isolation and Characterization of Metallacyclopropenimine Intermediates.","Journal of the American Chemical Society","2017","139","5","1822","1825","10.1021/jacs.6b13275","","","0.71073","MoKα","","0.0768","0.0576","","","0.1479","0.1598","","","","","","1.065","","","","has coordinates","193090","2020-10-21","18:00:00",""
"4125695","23.7295","0.0005","13.9429","0.0002","20.7926","0.0004","90","","108.662","0.002","90","","6517.7","0.2","173","2","173","2","","","","","","","","9","P 1 21/c 1","-P 2ybc","14","","","","- C70.4 H62.8 B Cl1.8 F4 N O2 Os P3 -","- C70.4 H62.8 B Cl1.8 F4 N O2 Os P3 -","- C281.6 H251.2 B4 Cl7.2 F16 N4 O8 Os4 P12 -","4","1","","Luo, Ming; Long, Lipeng; Zhang, Hong; Yang, Yuhui; Hua, Yuhui; Liu, Gang; Lin, Zhenyang; Xia, Haiping","Reactions of Isocyanides with Metal Carbyne Complexes: Isolation and Characterization of Metallacyclopropenimine Intermediates.","Journal of the American Chemical Society","2017","139","5","1822","1825","10.1021/jacs.6b13275","","","1.54178","CuKα","","0.0796","0.0701","","","0.2051","0.2167","","","","","","1.084","","","","has coordinates","193090","2020-10-21","18:00:00",""
"4125696","11.6666","0.0004","12.6271","0.0004","22.2623","0.0006","93.498","0.002","98.272","0.002","108.058","0.003","3066.1","0.18","173","2","173","2","","","","","","","","7","P -1","-P 1","2","","","","- C67 H73 Cl4 N3 O3 Os P2 -","- C67 H67 Cl4 N3 O3 Os P2 -","- C134 H134 Cl8 N6 O6 Os2 P4 -","2","1","","Luo, Ming; Long, Lipeng; Zhang, Hong; Yang, Yuhui; Hua, Yuhui; Liu, Gang; Lin, Zhenyang; Xia, Haiping","Reactions of Isocyanides with Metal Carbyne Complexes: Isolation and Characterization of Metallacyclopropenimine Intermediates.","Journal of the American Chemical Society","2017","139","5","1822","1825","10.1021/jacs.6b13275","","","0.71073","MoKα","","0.047","0.0392","","","0.0906","0.0936","","","","","","1.053","","","","has coordinates,has disorder","193090","2020-10-21","18:00:00",""
"4125697","4.035","0.006","5.763","0.008","14.35","0.02","90","","97.21","0.02","90","","331.1","0.8","150","2","150","2","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","","","- C6 H4 Br2 -","- C6 H4 Br2 -","- C12 H8 Br4 -","2","0.5","","Saha, Subhankar; Desiraju, Gautam R.","Crystal Engineering of Hand-Twisted Helical Crystals.","Journal of the American Chemical Society","2017","139","5","1975","1983","10.1021/jacs.6b11835","","","0.71073","MoKα","","0.065","0.0629","","","0.1856","0.1884","","","","","","1.171","","","","has coordinates","193092","2020-10-21","18:00:00",""
"4125698","11.962","0.013","3.883","0.004","13.154","0.015","90","","104.983","0.015","90","","590.2","1.1","150","2","150","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C13 H7 Cl2 F O2 -","- C13 H7 Cl2 F O2 -","- C26 H14 Cl4 F2 O4 -","2","1","","Saha, Subhankar; Desiraju, Gautam R.","Crystal Engineering of Hand-Twisted Helical Crystals.","Journal of the American Chemical Society","2017","139","5","1975","1983","10.1021/jacs.6b11835","","","0.71073","MoKα","","0.0596","0.0567","","","0.1451","0.1673","","","","","","1.107","","","","has coordinates","193092","2020-10-21","18:00:00",""
"4125699","15.465","0.019","3.935","0.005","19.66","0.02","90","","90.31","0.016","90","","1196","2","150","2","150","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C13 H8 Br Cl O2 -","- C13 H8 Br Cl O2 -","- C52 H32 Br4 Cl4 O8 -","4","1","","Saha, Subhankar; Desiraju, Gautam R.","Crystal Engineering of Hand-Twisted Helical Crystals.","Journal of the American Chemical Society","2017","139","5","1975","1983","10.1021/jacs.6b11835","","","0.71073","MoKα","","0.0664","0.0545","","","0.1558","0.1899","","","","","","1.236","","","","has coordinates","193092","2020-10-21","18:00:00",""
"4125700","24.903","0.011","6.092","0.003","7.799","0.003","90","","98.59","0.005","90","","1169.9","0.9","150","2","150","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C13 H8 Br Cl O2 -","- C13 H8 Br Cl O2 -","- C52 H32 Br4 Cl4 O8 -","4","1","","Saha, Subhankar; Desiraju, Gautam R.","Crystal Engineering of Hand-Twisted Helical Crystals.","Journal of the American Chemical Society","2017","139","5","1975","1983","10.1021/jacs.6b11835","","","0.71073","MoKα","","0.0516","0.0462","","","0.1314","0.16","","","","","","1.203","","","","has coordinates","193092","2020-10-21","18:00:00",""
"4125701","15.327","0.015","3.927","0.004","19.608","0.019","90","","90.909","0.014","90","","1180","2","150","2","150","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C13 H8 Br Cl O2 -","- C13 H8 Br Cl O2 -","- C52 H32 Br4 Cl4 O8 -","4","1","","Saha, Subhankar; Desiraju, Gautam R.","Crystal Engineering of Hand-Twisted Helical Crystals.","Journal of the American Chemical Society","2017","139","5","1975","1983","10.1021/jacs.6b11835","","","0.71073","MoKα","","0.0595","0.0493","","","0.1393","0.1747","","","","","","1.217","","","","has coordinates","193092","2020-10-21","18:00:00",""
"4125702","16.492","0.018","3.855","0.004","19.83","0.02","90","","98.666","0.014","90","","1246","2","150","2","150","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C13 H7 Cl3 O2 -","- C13 H7 Cl3 O2 -","- C52 H28 Cl12 O8 -","4","1","","Saha, Subhankar; Desiraju, Gautam R.","Crystal Engineering of Hand-Twisted Helical Crystals.","Journal of the American Chemical Society","2017","139","5","1975","1983","10.1021/jacs.6b11835","","","0.71073","MoKα","","0.0592","0.0523","","","0.1369","0.1648","","","","","","1.155","","","","has coordinates","193092","2020-10-21","18:00:00",""
"4125703","3.9952","0.0019","11.784","0.005","27.285","0.013","90","","90","","90","","1284.6","1","150","2","150","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C13 H8 I N O4 -","- C13 H8 I N O4 -","- C52 H32 I4 N4 O16 -","4","1","","Saha, Subhankar; Desiraju, Gautam R.","Crystal Engineering of Hand-Twisted Helical Crystals.","Journal of the American Chemical Society","2017","139","5","1975","1983","10.1021/jacs.6b11835","","","0.71073","MoKα","","0.0392","0.0361","","","0.0968","0.1242","","","","","","1.185","","","","has coordinates","193092","2020-10-21","18:00:00",""
"4125704","3.9824","0.0016","12.681","0.005","27.238","0.011","90","","90","","90","","1375.5","1","150","2","150","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C14 H10 I N O4 -","- C14 H10 I N O4 -","- C56 H40 I4 N4 O16 -","4","1","","Saha, Subhankar; Desiraju, Gautam R.","Crystal Engineering of Hand-Twisted Helical Crystals.","Journal of the American Chemical Society","2017","139","5","1975","1983","10.1021/jacs.6b11835","","","0.71073","MoKα","","0.0487","0.0452","","","0.1278","0.1471","","","","","","1.149","","","","has coordinates","193092","2020-10-21","18:00:00",""
"4125705","3.845","0.002","11.65","0.007","27.482","0.016","90","","90","","90","","1231","1.2","150","2","150","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C13 H8 Br N O4 -","- C13 H8 Br N O4 -","- C52 H32 Br4 N4 O16 -","4","1","","Saha, Subhankar; Desiraju, Gautam R.","Crystal Engineering of Hand-Twisted Helical Crystals.","Journal of the American Chemical Society","2017","139","5","1975","1983","10.1021/jacs.6b11835","","","0.71073","MoKα","","0.0403","0.0367","","","0.0995","0.1322","","","","","","1.156","","","","has coordinates","193092","2020-10-21","18:00:00",""
"4125706","3.798","0.003","11.703","0.009","27.12","0.02","90","","90","","90","","1205.4","1.6","150","2","150","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C13 H8 Cl N O4 -","- C13 H8 Cl N O4 -","- C52 H32 Cl4 N4 O16 -","4","1","","Saha, Subhankar; Desiraju, Gautam R.","Crystal Engineering of Hand-Twisted Helical Crystals.","Journal of the American Chemical Society","2017","139","5","1975","1983","10.1021/jacs.6b11835","","","0.71073","MoKα","","0.0519","0.0478","","","0.1163","0.1382","","","","","","1.092","","","","has coordinates","193092","2020-10-21","18:00:00",""
"4125707","3.843","0.003","12.597","0.008","27.201","0.018","90","","90","","90","","1316.8","1.6","150","2","150","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C14 H10 Br N O4 -","- C14 H10 Br N O4 -","- C56 H40 Br4 N4 O16 -","4","1","","Saha, Subhankar; Desiraju, Gautam R.","Crystal Engineering of Hand-Twisted Helical Crystals.","Journal of the American Chemical Society","2017","139","5","1975","1983","10.1021/jacs.6b11835","","","0.71073","MoKα","","0.0446","0.0412","","","0.1061","0.1393","","","","","","1.198","","","","has coordinates","193092","2020-10-21","18:00:00",""
"4125708","3.878","0.006","12.317","0.019","28.6","0.05","90","","90","","90","","1366","4","150","2","150","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C14 H9 Br F N O4 -","- C14 H9 Br F N O4 -","- C56 H36 Br4 F4 N4 O16 -","4","1","","Saha, Subhankar; Desiraju, Gautam R.","Crystal Engineering of Hand-Twisted Helical Crystals.","Journal of the American Chemical Society","2017","139","5","1975","1983","10.1021/jacs.6b11835","","","0.71073","MoKα","","0.0663","0.0554","","","0.1448","0.1779","","","","","","1.128","","","","has coordinates","193092","2020-10-21","18:00:00",""
"4125709","13.74","0.02","11.042","0.019","7.666","0.013","90","","101.125","0.016","90","","1141","3","150","2","150","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C13 H9 Br O2 -","- C13 H9 Br O2 -","- C52 H36 Br4 O8 -","4","1","","Saha, Subhankar; Desiraju, Gautam R.","Crystal Engineering of Hand-Twisted Helical Crystals.","Journal of the American Chemical Society","2017","139","5","1975","1983","10.1021/jacs.6b11835","","","0.71073","MoKα","","0.0685","0.0537","","","0.1265","0.1455","","","","","","1.118","","","","has coordinates","193092","2020-10-21","18:00:00",""
"4125710","14.896","0.008","11.086","0.006","7.596","0.004","90","","97.57","0.02","90","","1243.4","1.2","150","2","150","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C13 H8 Cl I O2 -","- C13 H8 Cl I O2 -","- C52 H32 Cl4 I4 O8 -","4","1","","Saha, Subhankar; Desiraju, Gautam R.","Crystal Engineering of Hand-Twisted Helical Crystals.","Journal of the American Chemical Society","2017","139","5","1975","1983","10.1021/jacs.6b11835","","","0.71073","MoKα","","0.0438","0.0407","","","0.1139","0.1373","","","","","","1.198","","","","has coordinates","193092","2020-10-21","18:00:00",""
"4125711","15.862","0.011","3.822","0.003","19.238","0.013","90","","91.965","0.009","90","","1165.6","1.5","150","2","150","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C14 H9 Cl O3 -","- C14 H9 Cl O3 -","- C56 H36 Cl4 O12 -","4","1","","Saha, Subhankar; Desiraju, Gautam R.","Crystal Engineering of Hand-Twisted Helical Crystals.","Journal of the American Chemical Society","2017","139","5","1975","1983","10.1021/jacs.6b11835","","","0.71073","MoKα","","0.0507","0.0416","","","0.1056","0.1393","","","","","","1.17","","","","has coordinates","193092","2020-10-21","18:00:00",""
"4125712","27.0338","0.0005","27.0338","0.0005","16.1483","0.0004","90","","90","","120","","10220.5","0.4","100","2","100","","","","","","","","","5","R -3","-R 3","148","","","","- C23 H28.16 B F4 O1.75 -","- C23.0008 H28.1656 B F4 O1.749 -","- C414.014 H506.981 B18 F72 O31.482 -","18","","","Lange, Ralph Z.; Hofer, Gregor; Weber, Thomas; Schlüter, A Dieter","A Two-Dimensional Polymer Synthesized through Topochemical [2 + 2]-Cycloaddition on the Multigram Scale.","Journal of the American Chemical Society","2017","139","5","2053","2059","10.1021/jacs.6b11857","","","0.71073","MoKα","","0.1622","0.1175","","","0.3065","0.3429","","","","","","1.029","","","","has coordinates,has disorder","193093","2020-10-21","18:00:00",""
"4125713","8.8549","0.0009","10.1984","0.001","20.531","0.002","81.077","0.002","86.856","0.002","66.166","0.002","1675.4","0.3","130","","130","","","","","","","","","5","P -1","-P 1","2","","","","- C25 H52 Co N4 Si4 -","- C25 H52 Co N4 Si4 -","- C50 H104 Co2 N8 Si8 -","2","1","","Liu, Yang; Deng, Liang","Mode of Activation of Cobalt(II) Amides for Catalytic Hydrosilylation of Alkenes with Tertiary Silanes.","Journal of the American Chemical Society","2017","139","5","1798","1801","10.1021/jacs.6b12938","","","0.71073","MoKα","","0.0566","0.0368","","","0.0847","0.0926","","","","","","1.038","","","","has coordinates","193094","2020-10-21","18:00:00",""
"4125714","12.7758","0.001","13.6376","0.0011","21.6312","0.0017","90","","105.942","0.002","90","","3623.9","0.5","130","","130","","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C33 H54 Co N3 Si2 -","- C33 H54 Co N3 Si2 -","- C132 H216 Co4 N12 Si8 -","4","1","","Liu, Yang; Deng, Liang","Mode of Activation of Cobalt(II) Amides for Catalytic Hydrosilylation of Alkenes with Tertiary Silanes.","Journal of the American Chemical Society","2017","139","5","1798","1801","10.1021/jacs.6b12938","","","0.71073","MoKα","","0.069","0.0396","","","0.087","0.099","","","","","","1.012","","","","has coordinates","193094","2020-10-21","18:00:00",""
"4125715","10.2475","0.0019","20.416","0.004","14.107","0.003","90","","99.064","0.004","90","","2914.5","1","130","2","130","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C33 H43 Co N2 -","- C33 H43 Co N2 -","- C132 H172 Co4 N8 -","4","1","","Liu, Yang; Deng, Liang","Mode of Activation of Cobalt(II) Amides for Catalytic Hydrosilylation of Alkenes with Tertiary Silanes.","Journal of the American Chemical Society","2017","139","5","1798","1801","10.1021/jacs.6b12938","","","0.71073","MoKα","","0.0966","0.0465","","","0.0905","0.1072","","","","","","0.998","","","","has coordinates","193094","2020-10-21","18:00:00",""
"4125716","17.846","0.01","4.728","0.003","18.465","0.011","90","","111.556","0.008","90","","1449","1.5","298","","298","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C8 H8 Pd S8 -","- C8 H8 Pd S8 -","- C32 H32 Pd4 S32 -","4","1","","Kato, Reizo; Cui, HengBo; Tsumuraya, Takao; Miyazaki, Tsuyoshi; Suzumura, Yoshikazu","Emergence of the Dirac Electron System in a Single-Component Molecular Conductor under High Pressure.","Journal of the American Chemical Society","2017","139","5","1770","1773","10.1021/jacs.6b12187","","","0.71075","MoKα","","","0.0346","","","","0.0798","","","","","","1.092","","","","has coordinates","193095","2020-10-21","18:00:00",""
"4125717","11.6613","0.0019","11.813","0.002","24.565","0.006","90","","90","","90","","3384","1.1","566","2","566","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C31 H30 Br N O2 -","- C31 H30 Br N O2 -","- C124 H120 Br4 N4 O8 -","4","1","","Zhang, Lei; Zhang, Jian; Ma, Ji; Cheng, Dao-Juan; Tan, Bin","Highly Atroposelective Synthesis of Arylpyrroles by Catalytic Asymmetric Paal-Knorr Reaction.","Journal of the American Chemical Society","2017","139","5","1714","1717","10.1021/jacs.6b09634","","","0.71","MoKα","","0.0947","0.0814","","","0.2243","0.2436","","","","","","1.025","","","","has coordinates","193096","2020-10-21","18:00:00",""
"4125718","3.4719","0.0003","30.764","0.004","11.0663","0.0013","90","","90.2099","0.0007","90","","1182","0.2","100","","99.93","","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C8 H3 N4 O3 S4 -","- C8 H3 N4 O3 S4 -","- C32 H12 N16 O12 S16 -","4","1","","Mailman, Aaron; Wong, Joanne W. L.; Winter, Stephen M.; Claridge, Robert C. M.; Robertson, Craig M.; Assoud, Abdeljalil; Yong, Wenjun; Steven, Eden; Dube, Paul A.; Tse, John S.; Desgreniers, Serge; Secco, Richard A.; Oakley, Richard T.","Fine Tuning the Performance of Multiorbital Radical Conductors by Substituent Effects.","Journal of the American Chemical Society","2017","139","4","1625","1635","10.1021/jacs.6b11779","","","0.71073","MoKα","","0.0534","0.036","","","0.0757","0.0818","","","","","","1.043","","","","has coordinates,has disorder","193097","2020-10-21","18:00:00",""
"4125719","25.0506","0.0002","23.9588","0.0002","14.9339","0.0002","90","","117.778","0.0005","90","","7930.13","0.14","296","2","296","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C6.75 H1.25 N3.25 O3 S4 -","- C6.75 H1.25 N3.25 O3 S4 -","- C216 H40 N104 O96 S128 -","32","4","","Mailman, Aaron; Wong, Joanne W. L.; Winter, Stephen M.; Claridge, Robert C. M.; Robertson, Craig M.; Assoud, Abdeljalil; Yong, Wenjun; Steven, Eden; Dube, Paul A.; Tse, John S.; Desgreniers, Serge; Secco, Richard A.; Oakley, Richard T.","Fine Tuning the Performance of Multiorbital Radical Conductors by Substituent Effects.","Journal of the American Chemical Society","2017","139","4","1625","1635","10.1021/jacs.6b11779","","","0.71073","MoKα","","0.0767","0.043","","","0.0731","0.0918","","","","","","1.391","","","","has coordinates","253039","2020-10-21","18:00:00",""
"4125720","6.8628","0.0007","19.7443","0.0019","9.1054","0.0008","90","","111.017","0.003","90","","1151.71","0.19","100","","100","","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C7 H13 B I2 O2 -","- C7 H13 B I2 O2 -","- C28 H52 B4 I8 O8 -","4","1","","Benoit, Guillaume; Charette, André B","Diastereoselective Borocyclopropanation of Allylic Ethers Using a Boromethylzinc Carbenoid.","Journal of the American Chemical Society","2017","139","4","1364","1367","10.1021/jacs.6b09090","","x-ray","1.34139","GaKα","","0.0406","0.0402","","","0.1627","0.1635","","","","","","1.488","","","","has coordinates","193099","2020-10-21","18:00:00",""
"4125721","6.6124","0.0003","11.5841","0.0005","30.0883","0.0011","90","","92.3994","0.0018","90","","2302.7","0.17","100","","100","","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C22 H37 B O3 Si -","- C22 H37 B O3 Si -","- C88 H148 B4 O12 Si4 -","4","1","","Benoit, Guillaume; Charette, André B","Diastereoselective Borocyclopropanation of Allylic Ethers Using a Boromethylzinc Carbenoid.","Journal of the American Chemical Society","2017","139","4","1364","1367","10.1021/jacs.6b09090","","x-ray","1.54178","CuKα","","0.0769","0.0702","","","0.1892","0.1948","","","","","","1.063","","","","has coordinates,has disorder","193100","2020-10-21","18:00:00",""
"4125722","43.652","0.002","43.652","0.002","11.4512","0.0007","90","","90","","120","","18896.9","1.7","123","2","123","2","","","","","","","","5","R 3 :H","R 3","146","","","","- C252 H258 N30 O21 Zn6 -","- C252 H258 N30 O21 Zn6 -","- C756 H774 N90 O63 Zn18 -","3","0.333333","","Dong, Jinqiao; Tan, Chunxia; Zhang, Kang; Liu, Yan; Low, Paul J.; Jiang, Jianwen; Cui, Yong","Chiral NH-Controlled Supramolecular Metallacycles.","Journal of the American Chemical Society","2017","139","4","1554","1564","10.1021/jacs.6b11422","","","1.54178","CuKα","","0.1348","0.0886","","","0.2048","0.2299","","","","","","1.026","","","","has coordinates","268283","2021-08-30","06:31:22",""
"4125723","43.9623","0.0012","43.9623","0.0012","11.3572","0.0005","90","","90","","120","","19009.2","1.1","173","2","173.15","","","","","","","","","5","R 3 :H","R 3","146","","","","- C228 H255 N24 O18 Zn6 -","- C228 H255 N24 O18 Zn6 -","- C684 H765 N72 O54 Zn18 -","3","0.333333","","Dong, Jinqiao; Tan, Chunxia; Zhang, Kang; Liu, Yan; Low, Paul J.; Jiang, Jianwen; Cui, Yong","Chiral NH-Controlled Supramolecular Metallacycles.","Journal of the American Chemical Society","2017","139","4","1554","1564","10.1021/jacs.6b11422","","","1.54178","CuKα","","0.0757","0.0662","","","0.1846","0.1954","","","","","","1.036","","","","has coordinates","268283","2021-08-30","06:31:22",""
"4125724","43.6574","0.0017","43.6574","0.0017","11.5213","0.0006","90","","90","","120","","19017.3","1.4","123","2","123","2","","","","","","","","5","R 3 :H","R 3","146","","","","- C252 H258 N24 O24 Zn6 -","- C252 H258 N24 O24 Zn6 -","- C756 H774 N72 O72 Zn18 -","3","0.333333","","Dong, Jinqiao; Tan, Chunxia; Zhang, Kang; Liu, Yan; Low, Paul J.; Jiang, Jianwen; Cui, Yong","Chiral NH-Controlled Supramolecular Metallacycles.","Journal of the American Chemical Society","2017","139","4","1554","1564","10.1021/jacs.6b11422","","","1.54178","CuKα","","0.126","0.0959","","","0.2256","0.252","","","","","","1.035","","","","has coordinates","268283","2021-08-30","06:31:22",""
"4125725","43.7244","0.0016","43.7244","0.0016","11.683","0.0009","90","","90","","120","","19343.4","1.8","123","2","123.15","","","","","","","","","5","R 3 :H","R 3","146","","","","- C234 H258 N24 O18 Zn6 -","- C234 H258 N24 O18 Zn6 -","- C702 H774 N72 O54 Zn18 -","3","0.333333","","Dong, Jinqiao; Tan, Chunxia; Zhang, Kang; Liu, Yan; Low, Paul J.; Jiang, Jianwen; Cui, Yong","Chiral NH-Controlled Supramolecular Metallacycles.","Journal of the American Chemical Society","2017","139","4","1554","1564","10.1021/jacs.6b11422","","","1.54178","CuKα","","0.179","0.0828","","","0.2383","0.2798","","","","","","1.128","","","","has coordinates","268283","2021-08-30","06:31:22",""
"4125726","9.5946","0.0003","16.4468","0.0005","18.9308","0.0006","98.641","0.003","104.363","0.003","90.039","0.002","2858.82","0.16","100","0.1","100","0.1","","","","","","","","6","P -1","-P 1","2","","","","- C28 H33 Cl Mn N5 O6.5 -","- C28 H33 Cl Mn N5 O6.5 -","- C112 H132 Cl4 Mn4 N20 O26 -","4","2","","Kenkel, Isabell; Franke, Alicja; Dürr, Maximilian; Zahl, Achim; Dücker-Benfer, Carlos; Langer, Jens; Filipović, Milos R; Yu, Meng; Puchta, Ralph; Fiedler, Stephanie R.; Shores, Matthew P.; Goldsmith, Christian R.; Ivanović-Burmazović, Ivana","Switching between Inner- and Outer-Sphere PCET Mechanisms of Small-Molecule Activation: Superoxide Dismutation and Oxygen/Superoxide Reduction Reactivity Deriving from the Same Manganese Complex.","Journal of the American Chemical Society","2017","139","4","1472","1484","10.1021/jacs.6b08394","","x-ray","0.71073","MoKα","","0.0476","0.044","","","0.1194","0.1211","","","","","","1.02","","","","has coordinates","193105","2020-10-21","18:00:00",""
"4125727","10.322","0.002","13.409","0.003","13.848","0.003","106.575","0.003","108.044","0.003","95.5983","0.0012","1709.9","0.6","253","2","253","2","","","","","","","","5","P 1","P 1","1","","","","- C39 H37 Mn O2 P2 -","- C39 H37 Mn O2 P2 -","- C78 H74 Mn2 O4 P4 -","2","2","","Kamikawa, Ken; Tseng, Ya-Yi; Jian, Jia-Hong; Takahashi, Tamotsu; Ogasawara, Masamichi","Planar-Chiral Phosphine-Olefin Ligands Exploiting a (Cyclopentadienyl)manganese(I) Scaffold To Achieve High Robustness and High Enantioselectivity.","Journal of the American Chemical Society","2017","139","4","1545","1553","10.1021/jacs.6b11243","","","0.71075","MoKα","","0.0346","0.0302","","","0.0748","0.083","","","","","","1.034","","","","has coordinates","193106","2020-10-21","18:00:00",""
"4125728","15.724","0.003","15.989","0.003","17.291","0.004","88.888","0.011","75.797","0.008","65.447","0.007","3816.4","1.4","103","2","103","2","","","","","","","","7","P -1","-P 1","2","","","","- C80 H57 Cl5 Mn2 O4 P4 Rh2 -","- C79.5 H77 Cl5 Mn2 O4 P4 Rh2 -","- C159 H154 Cl10 Mn4 O8 P8 Rh4 -","2","1","","Kamikawa, Ken; Tseng, Ya-Yi; Jian, Jia-Hong; Takahashi, Tamotsu; Ogasawara, Masamichi","Planar-Chiral Phosphine-Olefin Ligands Exploiting a (Cyclopentadienyl)manganese(I) Scaffold To Achieve High Robustness and High Enantioselectivity.","Journal of the American Chemical Society","2017","139","4","1545","1553","10.1021/jacs.6b11243","","","0.71075","MoKα","","0.1081","0.0676","","","0.1438","0.1803","","","","","","1.065","","","","has coordinates,has disorder","193107","2020-10-21","18:00:00",""
"4125729","6.7401","0.0003","11.1362","0.0004","13.6362","0.0005","90","","90","","90","","1023.52","0.07","220","2","220","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C10 H15 N O3 -","- C10 H15 N O3 -","- C40 H60 N4 O12 -","4","1","","Smalley, Adam P.; Cuthbertson, James D.; Gaunt, Matthew J.","Palladium-Catalyzed Enantioselective C-H Activation of Aliphatic Amines Using Chiral Anionic BINOL-Phosphoric Acid Ligands.","Journal of the American Chemical Society","2017","139","4","1412","1415","10.1021/jacs.6b12234","","","1.54178","CuKα","","0.0261","0.0254","","","0.0658","0.0667","","","","","","1.059","","","","has coordinates","193108","2020-10-21","18:00:00",""
"4125730","5.01871","0.00009","5.01871","0.00009","13.5879","0.0003","90","","90","","120","","296.392","0.01","293","","293","","","","","","","","","3","R 3 c :H","R 3 -2""c","161","","","GaFeO3_polar_corundum","- Fe Ga O3 -","- Fe Ga O3 -","- Fe6 Ga6 O18 -","6","0.333333","","Niu, Hongjun; Pitcher, Michael J.; Corkett, Alex J.; Ling, Sanliang; Mandal, Pranab; Zanella, Marco; Dawson, Karl; Stamenov, Plamen; Batuk, Dmitry; Abakumov, Artem M.; Bull, Craig L.; Smith, Ronald I.; Murray, Claire A.; Day, Sarah J.; Slater, Ben; Cora, Furio; Claridge, John B.; Rosseinsky, Matthew J.","Room Temperature Magnetically Ordered Polar Corundum GaFeO3 Displaying Magnetoelectric Coupling.","Journal of the American Chemical Society","2017","139","4","1520","1531","10.1021/jacs.6b11128","","neutron","","","","0.0524","","","0.0509","","","","","","","","","","","","has coordinates","204144","2020-10-21","18:00:00",""
"4125731","23.42","0.003","10.569","0.0015","22.221","0.003","90","","91.868","0.003","90","","5497.4","1.3","100","","100","","","","","","","","dichloromethane","9","C 1 2 1","C 2y","5","","Title","","- C52.5 H55.5 Au Cl4 F6 N2 O4 P Sb -","- C52.5 H55.5 Au Cl4 F6 N2 O4 P Sb -","- C210 H222 Au4 Cl16 F24 N8 O16 P4 Sb4 -","4","1","","González-Fernández, Elisa; Nicholls, Leo D. M.; Schaaf, Lukas D.; Farès, Christophe; Lehmann, Christian W.; Alcarazo, Manuel","Enantioselective Synthesis of [6]Carbohelicenes.","Journal of the American Chemical Society","2017","139","4","1428","1431","10.1021/jacs.6b12443","","","0.71073","Mo-Kα","","0.0347","0.0306","","","0.0764","0.0783","","","","","","1.057","","","","has coordinates,has disorder","193110","2020-10-21","18:00:00",""
"4125732","18.4625","0.0009","14.204","0.0007","7.6031","0.0004","90","","108.652","0.0018","90","","1889.13","0.17","100","","100","","","","","","","","dichlormethane","2","C 1 2/c 1","-C 2yc","15","","Title","","- C28 H20 -","- C28 H20 -","- C112 H80 -","4","0.5","","González-Fernández, Elisa; Nicholls, Leo D. M.; Schaaf, Lukas D.; Farès, Christophe; Lehmann, Christian W.; Alcarazo, Manuel","Enantioselective Synthesis of [6]Carbohelicenes.","Journal of the American Chemical Society","2017","139","4","1428","1431","10.1021/jacs.6b12443","","","1.54178","Cu-Kα","","0.0502","0.0406","","","0.1082","0.1204","","","","","","1.123","","","","has coordinates","193111","2020-10-21","18:00:00",""
"4125733","10.75","0.004","24.403","0.014","25.635","0.006","90","","90","","90","","6725","5","100","","100","","","","","","","","dichloromethane,pentane","9","P 21 21 21","P 2ac 2ab","19","","Title","","- C69.5 H63 Au Cl4 F6 N2 O4 P Sb -","- C69.5 H63 Au Cl4 F6 N2 O4 P Sb -","- C278 H252 Au4 Cl16 F24 N8 O16 P4 Sb4 -","4","1","","González-Fernández, Elisa; Nicholls, Leo D. M.; Schaaf, Lukas D.; Farès, Christophe; Lehmann, Christian W.; Alcarazo, Manuel","Enantioselective Synthesis of [6]Carbohelicenes.","Journal of the American Chemical Society","2017","139","4","1428","1431","10.1021/jacs.6b12443","","","0.71073","MoKα","","0.1087","0.0681","","","0.1573","0.1859","","","","","","1.054","","","","has coordinates,has disorder","193112","2020-10-21","18:00:00",""
"4125734","10.983","0.0012","11.4243","0.0012","13.3626","0.0014","66.668","0.002","83.965","0.002","88.252","0.002","1530.9","0.3","100","","100","","","","","","","","dichloromethane,pentane","9","P 1","P 1","1","","Title","","- C55.5 H49 Au Cl2 F18 N2 O4 P Sb -","- C55.5 H49 Au Cl2 F17.9997 N2 O4 P Sb -","- C55.5 H49 Au Cl2 F17.9997 N2 O4 P Sb -","1","1","","González-Fernández, Elisa; Nicholls, Leo D. M.; Schaaf, Lukas D.; Farès, Christophe; Lehmann, Christian W.; Alcarazo, Manuel","Enantioselective Synthesis of [6]Carbohelicenes.","Journal of the American Chemical Society","2017","139","4","1428","1431","10.1021/jacs.6b12443","","","0.71073","Mo-Kα","","0.0598","0.047","","","0.1046","0.1113","","","","","","1.016","","","","has coordinates,has disorder","193113","2020-10-21","18:00:00",""
"4125735","11.7711","0.0017","18.123","0.003","12.1515","0.0018","90","","113.687","0.003","90","","2373.9","0.6","100","","100","","","","","","","","dichloromethane","7","P 1 21 1","P 2yb","4","","Title","","- C51 H52 F6 N2 O4 P Sb -","- C51 H52 F6 N2 O4 P Sb -","- C102 H104 F12 N4 O8 P2 Sb2 -","2","1","","González-Fernández, Elisa; Nicholls, Leo D. M.; Schaaf, Lukas D.; Farès, Christophe; Lehmann, Christian W.; Alcarazo, Manuel","Enantioselective Synthesis of [6]Carbohelicenes.","Journal of the American Chemical Society","2017","139","4","1428","1431","10.1021/jacs.6b12443","","","0.71073","Mo-Kα","","0.057","0.0407","","","0.0764","0.0816","","","","","","1.054","","","","has coordinates,has disorder","193114","2020-10-21","18:00:00",""
"4125736","34.402","0.008","34.402","0.008","18.748","0.004","90","","90","","120","","19216","8","273","2","273","2","","","","","","","","4","R -3 :H","-R 3","148","","","","- C138 H108 N6 O18 -","- C120 H96 N6 O18 -","- C720 H576 N36 O108 -","6","0.333333","","Chen, Wei; Chen, Chi-Lin; Zhang, Zhiyun; Chen, Yi-An; Chao, Wei-Chih; Su, Jianhua; Tian, He; Chou, Pi-Tai","Snapshotting the Excited-State Planarization of Chemically Locked N,N'-Disubstituted Dihydrodibenzo[a,c]phenazines.","Journal of the American Chemical Society","2017","139","4","1636","1644","10.1021/jacs.6b11789","","","0.71073","MoKα","","0.148","0.0713","","","0.1893","0.2245","","","","","","0.953","","","","has coordinates,has disorder","193115","2020-10-21","18:00:00",""
"4125737","32.3784","0.0006","9.7018","0.0002","20.6093","0.0003","90","","93.171","0.0006","90","","6464.1","0.2","200","2","200","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C42.5 H33 Cl N2 O2 -","- C42 H32.5 N2 O2 -","- C336 H260 N16 O16 -","8","1","","Chen, Wei; Chen, Chi-Lin; Zhang, Zhiyun; Chen, Yi-An; Chao, Wei-Chih; Su, Jianhua; Tian, He; Chou, Pi-Tai","Snapshotting the Excited-State Planarization of Chemically Locked N,N'-Disubstituted Dihydrodibenzo[a,c]phenazines.","Journal of the American Chemical Society","2017","139","4","1636","1644","10.1021/jacs.6b11789","","","1.54178","CuKα","","0.063","0.0571","","","0.1533","0.1594","","","","","","1.035","","","","has coordinates","193116","2020-10-21","18:00:00",""
"4125738","9.1275","0.0002","12.7976","0.0003","18.3106","0.0004","88.7303","0.0009","77.583","0.0009","74.5428","0.0009","2011.87","0.08","200","2","200","2","","","","","","","","5","P -1","-P 1","2","","","","- C49 H42 Cl2 N2 O6 -","- C49 H42 Cl2 N2 O6 -","- C98 H84 Cl4 N4 O12 -","2","1","","Chen, Wei; Chen, Chi-Lin; Zhang, Zhiyun; Chen, Yi-An; Chao, Wei-Chih; Su, Jianhua; Tian, He; Chou, Pi-Tai","Snapshotting the Excited-State Planarization of Chemically Locked N,N'-Disubstituted Dihydrodibenzo[a,c]phenazines.","Journal of the American Chemical Society","2017","139","4","1636","1644","10.1021/jacs.6b11789","","","1.54178","CuKα","","0.0951","0.086","","","0.257","0.2691","","","","","","0.982","","","","has coordinates,has disorder","193117","2020-10-21","18:00:00",""
"4125739","9.4122","0.0003","10.5185","0.0003","24.5962","0.0007","97.5528","0.0009","90.645","0.001","102.097","0.001","2358.46","0.12","200","2","200","2","","","","","","","","5","P -1","-P 1","2","","","","- C57 H58 Cl2 N2 O6 -","- C57 H58 Cl2 N2 O6 -","- C114 H116 Cl4 N4 O12 -","2","1","","Chen, Wei; Chen, Chi-Lin; Zhang, Zhiyun; Chen, Yi-An; Chao, Wei-Chih; Su, Jianhua; Tian, He; Chou, Pi-Tai","Snapshotting the Excited-State Planarization of Chemically Locked N,N'-Disubstituted Dihydrodibenzo[a,c]phenazines.","Journal of the American Chemical Society","2017","139","4","1636","1644","10.1021/jacs.6b11789","","","1.54178","CuKα","","0.0506","0.0459","","","0.1244","0.1286","","","","","","1.019","","","","has coordinates,has disorder","193118","2020-10-21","18:00:00",""
"4125740","9.3923","0.0002","10.7073","0.0002","12.7975","0.0003","90","","90","","90","","1287","0.05","100","","100","","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C16 H19 N O -","- C16 H19 N O -","- C64 H76 N4 O4 -","4","1","","Kumarasamy, Elango; Raghunathan, Ramya; Kandappa, Sunil Kumar; Sreenithya, A.; Jockusch, Steffen; Sunoj, Raghavan B.; Sivaguru, J.","Transposed Paternò-Büchi Reaction.","Journal of the American Chemical Society","2017","139","2","655","662","10.1021/jacs.6b05936","","","1.54178","CuKα","","0.0305","0.0284","","","0.0714","0.0729","","","","","","1.052","","","","has coordinates","193119","2020-10-21","18:00:00",""
"4125741","9.3935","0.0002","10.7059","0.0003","12.8032","0.0003","90","","90","","90","","1287.56","0.05","100","","100","","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C16 H19 N O -","- C16 H19 N O -","- C64 H76 N4 O4 -","4","1","","Kumarasamy, Elango; Raghunathan, Ramya; Kandappa, Sunil Kumar; Sreenithya, A.; Jockusch, Steffen; Sunoj, Raghavan B.; Sivaguru, J.","Transposed Paternò-Büchi Reaction.","Journal of the American Chemical Society","2017","139","2","655","662","10.1021/jacs.6b05936","","","1.54178","CuKα","","0.0268","0.0258","","","0.0657","0.0664","","","","","","1.036","","","","has coordinates","193119","2020-10-21","18:00:00",""
"4125742","8.5255","0.0002","12.7647","0.0004","13.2058","0.0004","90","","90","","90","","1437.13","0.07","100","","100","","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C17 H21 N O -","- C17 H21 N O -","- C68 H84 N4 O4 -","4","1","","Kumarasamy, Elango; Raghunathan, Ramya; Kandappa, Sunil Kumar; Sreenithya, A.; Jockusch, Steffen; Sunoj, Raghavan B.; Sivaguru, J.","Transposed Paternò-Büchi Reaction.","Journal of the American Chemical Society","2017","139","2","655","662","10.1021/jacs.6b05936","","","1.54178","CuKα","","0.0292","0.0273","","","0.0684","0.0697","","","","","","1.056","","","","has coordinates","193119","2020-10-21","18:00:00",""
"4125743","8.5245","0.0002","12.7658","0.0004","13.2061","0.0004","90","","90","","90","","1437.12","0.07","100","","100.02","","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C17 H21 N O -","- C17 H21 N O -","- C68 H84 N4 O4 -","4","1","","Kumarasamy, Elango; Raghunathan, Ramya; Kandappa, Sunil Kumar; Sreenithya, A.; Jockusch, Steffen; Sunoj, Raghavan B.; Sivaguru, J.","Transposed Paternò-Büchi Reaction.","Journal of the American Chemical Society","2017","139","2","655","662","10.1021/jacs.6b05936","","","1.54178","CuKα","","0.0287","0.0276","","","0.068","0.0689","","","","","","1.071","","","","has coordinates","193119","2020-10-21","18:00:00",""
"4125744","16.3242","0.0003","6.3756","0.0001","28.92","0.002","90","","90","","90","","3009.9","0.2","93","2","93","2","","","","","","","","3","P c a 21","P 2c -2ac","29","","","","- C19 H20 O4 -","- C19 H20 O4 -","- C152 H160 O32 -","8","2","","Schuppe, Alexander W.; Newhouse, Timothy R.","Assembly of the Limonoid Architecture by a Divergent Approach: Total Synthesis of (±)-Andirolide N via (±)-8α-Hydroxycarapin.","Journal of the American Chemical Society","2017","139","2","631","634","10.1021/jacs.6b12268","","","1.54187","CuKα","","0.0523","0.0486","","","0.1289","0.1329","","","","","","1.085","","","","has coordinates","193120","2020-10-21","18:00:00",""
"4125745","9.9985","0.0007","8.5859","0.0006","25.1456","0.0018","90","","93.281","0.002","90","","2155.1","0.3","93","2","93","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C22 H30 O5 Si -","- C22 H30 O5 Si -","- C88 H120 O20 Si4 -","4","1","","Schuppe, Alexander W.; Newhouse, Timothy R.","Assembly of the Limonoid Architecture by a Divergent Approach: Total Synthesis of (±)-Andirolide N via (±)-8α-Hydroxycarapin.","Journal of the American Chemical Society","2017","139","2","631","634","10.1021/jacs.6b12268","","","0.71073","MoKα","","0.0675","0.039","","","0.0839","0.0896","","","","","","0.843","","","","has coordinates,has disorder","193121","2020-10-21","18:00:00",""
"4125746","22.34","0.0012","16.695","0.0009","8.3236","0.0004","90","","103.833","0.002","90","","3014.4","0.3","100","2","99.99","","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C44 H34 N2 O4 -","- C44 H34 N2 O4 -","- C176 H136 N8 O16 -","4","0.5","","Margulies, Eric A.; Logsdon, Jenna L.; Miller, Claire E.; Ma, Lin; Simonoff, Ethan; Young, Ryan M.; Schatz, George C.; Wasielewski, Michael R.","Direct Observation of a Charge-Transfer State Preceding High-Yield Singlet Fission in Terrylenediimide Thin Films.","Journal of the American Chemical Society","2017","139","2","663","671","10.1021/jacs.6b07721","","","1.54178","CuKα","","0.0472","0.0401","","","0.1106","0.1168","","","","","","1.056","","","","has coordinates","193122","2020-10-21","18:00:00",""
"4125747","36.0857","0.0014","4.8422","0.0002","32.6994","0.0012","90","","111.586","0.002","90","","5313","0.4","100","2","99.98","","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","hPhTDIc8","","- C74 H62 N2 O4 -","- C74 H62 N2 O4 -","- C296 H248 N8 O16 -","4","0.5","","Margulies, Eric A.; Logsdon, Jenna L.; Miller, Claire E.; Ma, Lin; Simonoff, Ethan; Young, Ryan M.; Schatz, George C.; Wasielewski, Michael R.","Direct Observation of a Charge-Transfer State Preceding High-Yield Singlet Fission in Terrylenediimide Thin Films.","Journal of the American Chemical Society","2017","139","2","663","671","10.1021/jacs.6b07721","","","1.54178","CuKα","","0.1057","0.0689","","","0.1884","0.2165","","","","","","1.043","","","","has coordinates,has disorder","193123","2020-10-21","18:00:00",""
"4125748","13.4442","0.0016","7.1664","0.0009","24.537","0.003","90","","100.806","0.002","90","","2322.1","0.5","296","2","296","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C27 H27 Br N2 -","- C27 H27 Br N2 -","- C108 H108 Br4 N8 -","4","1","","Catalano, Luca; Perez-Estrada, Salvador; Wang, Hsin-Hua; Ayitou, Anoklase J.-L.; Khan, Saeed I.; Terraneo, Giancarlo; Metrangolo, Pierangelo; Brown, Stuart; Garcia-Garibay, Miguel A","Rotational Dynamics of Diazabicyclo[2.2.2]octane in Isomorphous Halogen-Bonded Co-crystals: Entropic and Enthalpic Effects.","Journal of the American Chemical Society","2017","139","2","843","848","10.1021/jacs.6b10780","","","0.71073","MoKα","","0.0608","0.0364","","","0.0974","0.1084","","","","","","1.001","","","","has coordinates,has disorder","193124","2020-10-21","18:00:00",""
"4125749","13.1901","0.0012","7.1685","0.0007","24.018","0.002","90","","101.202","0.0012","90","","2227.7","0.4","100","2","100","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C27 H27 Br N2 -","- C27 H27 Br N2 -","- C108 H108 Br4 N8 -","4","1","","Catalano, Luca; Perez-Estrada, Salvador; Wang, Hsin-Hua; Ayitou, Anoklase J.-L.; Khan, Saeed I.; Terraneo, Giancarlo; Metrangolo, Pierangelo; Brown, Stuart; Garcia-Garibay, Miguel A","Rotational Dynamics of Diazabicyclo[2.2.2]octane in Isomorphous Halogen-Bonded Co-crystals: Entropic and Enthalpic Effects.","Journal of the American Chemical Society","2017","139","2","843","848","10.1021/jacs.6b10780","","","0.71073","MoKα","","0.0338","0.0295","","","0.0791","0.0811","","","","","","1.065","","","","has coordinates","193125","2020-10-21","18:00:00",""
"4125750","13.3106","0.0019","7.0791","0.001","24.375","0.003","90","","100.278","0.002","90","","2259.9","0.5","100","2","100","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C27 H27 I N2 -","- C27 H27 I N2 -","- C108 H108 I4 N8 -","4","1","","Catalano, Luca; Perez-Estrada, Salvador; Wang, Hsin-Hua; Ayitou, Anoklase J.-L.; Khan, Saeed I.; Terraneo, Giancarlo; Metrangolo, Pierangelo; Brown, Stuart; Garcia-Garibay, Miguel A","Rotational Dynamics of Diazabicyclo[2.2.2]octane in Isomorphous Halogen-Bonded Co-crystals: Entropic and Enthalpic Effects.","Journal of the American Chemical Society","2017","139","2","843","848","10.1021/jacs.6b10780","","","0.71073","MoKα","","0.0624","0.0322","","","0.0557","0.061","","","","","","0.99","","","","has coordinates","193126","2020-10-21","18:00:00",""
"4125751","10.736","0.0003","7.55","0.0003","20.7875","0.0007","90","","93.636","0.003","90","","1681.58","0.1","153","2","153","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C18 H19 N3 O4 -","- C17.992 H19 N3 O4 -","- C71.968 H76 N12 O16 -","4","2","","Shi, Jiarong; Xu, Hai; Qiu, Dachuan; He, Jia; Li, Yang","Selective Aryne Formation via Grob Fragmentation from the [2+2] Cycloadducts of 3-Triflyloxyarynes.","Journal of the American Chemical Society","2017","139","2","623","626","10.1021/jacs.6b12161","","","0.71073","MoKα","","0.0548","0.0448","","","0.0962","0.1045","","","","","","1.066","","","","has coordinates,has disorder","193127","2020-10-21","18:00:00",""
"4125752","6.7872","0.0003","11.6855","0.0005","10.8557","0.0005","90","","102.759","0.002","90","","839.73","0.06","100","2","100","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C8 H8 B N3 O2 -","- C8 H8 B N3 O2 -","- C32 H32 B4 N12 O8 -","4","1","","Bandyopadhyay, Anupam; Cambray, Samantha; Gao, Jianmin","Fast Diazaborine Formation of Semicarbazide Enables Facile Labeling of Bacterial Pathogens.","Journal of the American Chemical Society","2017","139","2","871","878","10.1021/jacs.6b11115","","","1.54178","CuKα","","0.0337","0.0328","","","0.093","0.0943","","","","","","1.047","","","","has coordinates","193128","2020-10-21","18:00:00",""
"4125753","13.1494","0.0007","12.7371","0.0007","31.5681","0.0016","90","","101.788","0.0012","90","","5175.7","0.5","150","2","150","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","Pd-complx","","- C26 H21 F3 N4 O5 Pd S -","- C26 H21 F3 N4 O5 Pd S -","- C208 H168 F24 N32 O40 Pd8 S8 -","8","2","","Abada, Elikplim; Zavalij, Peter Y.; Vedernikov, Andrei N.","Reductive C(sp(2))-N Elimination from Isolated Pd(IV) Amido Aryl Complexes Prepared Using H2O2 as Oxidant.","Journal of the American Chemical Society","2017","139","2","643","646","10.1021/jacs.6b12648","","","0.71073","MoKα","","0.0465","0.0308","","","0.0638","0.0697","","","","","","1.075","","","","has coordinates,has disorder","193129","2020-10-21","18:00:00",""
"4125754","30.3195","0.0017","11.3339","0.0006","17.6574","0.001","90","","118.758","0.0008","90","","5319.4","0.5","150","2","150","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","Pd-complex","Pd-complex","","- C28 H29 N3 O6 Pd S -","- C28 H29 N3 O6 Pd S -","- C224 H232 N24 O48 Pd8 S8 -","8","1","","Abada, Elikplim; Zavalij, Peter Y.; Vedernikov, Andrei N.","Reductive C(sp(2))-N Elimination from Isolated Pd(IV) Amido Aryl Complexes Prepared Using H2O2 as Oxidant.","Journal of the American Chemical Society","2017","139","2","643","646","10.1021/jacs.6b12648","","","0.71073","MoKα","","0.0438","0.0336","","","0.0659","0.0685","","","","","","1.387","","","","has coordinates,has disorder","193130","2020-10-21","18:00:00",""
"4125755","11.4454","0.0006","12.0069","0.0006","17.7137","0.0009","90","","97.0875","0.0008","90","","2415.7","0.2","150","2","150","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","Pd-complex","Pd-complex","","- C26 H20 F3 N3 O3 Pd -","- C26 H20 F3 N3 O3 Pd -","- C104 H80 F12 N12 O12 Pd4 -","4","1","","Abada, Elikplim; Zavalij, Peter Y.; Vedernikov, Andrei N.","Reductive C(sp(2))-N Elimination from Isolated Pd(IV) Amido Aryl Complexes Prepared Using H2O2 as Oxidant.","Journal of the American Chemical Society","2017","139","2","643","646","10.1021/jacs.6b12648","","","0.71073","MoKα","","0.0237","0.0218","","","0.0468","0.0478","","","","","","1.001","","","","has coordinates","193131","2020-10-21","18:00:00",""
"4125756","15.534","0.002","9.1331","0.0013","18.096","0.003","90","","100.943","0.002","90","","2520.7","0.6","150","2","150","2","","","","","","","","7","P 1 21/n 1","-P 2yn","14","Pd-complex","Pd-complex","","- C26 H19 F3 N4 O3 Pd S -","- C26 H19 F3 N4 O3 Pd S -","- C104 H76 F12 N16 O12 Pd4 S4 -","4","1","","Abada, Elikplim; Zavalij, Peter Y.; Vedernikov, Andrei N.","Reductive C(sp(2))-N Elimination from Isolated Pd(IV) Amido Aryl Complexes Prepared Using H2O2 as Oxidant.","Journal of the American Chemical Society","2017","139","2","643","646","10.1021/jacs.6b12648","","","0.71073","MoKα","","0.0246","0.021","","","0.0454","0.0472","","","","","","1","","","","has coordinates","193132","2020-10-21","18:00:00",""
"4125757","10.6068","0.0007","13.466","0.0009","16.6462","0.0011","89.972","0.005","85.8","0.005","67.854","0.005","2195.3","0.3","133","2","133","2","","","","","","","","5","P -1","-P 1","2","","","","- C42 H57.5 Fe2 N4.5 S5 -","- C42 H57.5 Fe2 N4.5 S5 -","- C84 H115 Fe4 N9 S10 -","2","1","","Bergner, Marie; Dechert, Sebastian; Demeshko, Serhiy; Kupper, Claudia; Mayer, James M.; Meyer, Franc","Model of the MitoNEET [2Fe-2S] Cluster Shows Proton Coupled Electron Transfer.","Journal of the American Chemical Society","2017","139","2","701","707","10.1021/jacs.6b09180","","","0.71073","MoKα","","0.1273","0.0682","","","0.1169","0.134","","","","","","1.035","","","","has coordinates,has disorder","193133","2020-10-21","18:00:00",""
"4125758","10.9808","0.0006","14.8133","0.0008","28.4694","0.0015","90","","97.311","0.001","90","","4593.2","0.4","120","2","120","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C52.25 H52 N2 O P2 Ru -","- C52.25 H52 N2 O P2 Ru -","- C209 H208 N8 O4 P8 Ru4 -","4","1","","Waldie, Kate M.; Flajslik, Kristen R.; McLoughlin, Elizabeth; Chidsey, Christopher E. D.; Waymouth, Robert M.","Electrocatalytic Alcohol Oxidation with Ruthenium Transfer Hydrogenation Catalysts.","Journal of the American Chemical Society","2017","139","2","738","748","10.1021/jacs.6b09705","","","0.71073","MoKα","","0.0816","0.051","","","0.138","0.1561","","","","","","1.068","","","","has coordinates,has disorder","193134","2020-10-21","18:00:00",""
"4125759","17.6551","0.0008","9.0738","0.0002","21.9618","0.0015","90","","97.617","0.008","90","","3487.2","0.3","93","2","93","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C36 H66 Cl Ni P2 -","- C36 H66 Cl Ni P2 -","- C144 H264 Cl4 Ni4 P8 -","4","0.5","","Mohadjer Beromi, Megan; Nova, Ainara; Balcells, David; Brasacchio, Ann M.; Brudvig, Gary W.; Guard, Louise M.; Hazari, Nilay; Vinyard, David J.","Mechanistic Study of an Improved Ni Precatalyst for Suzuki-Miyaura Reactions of Aryl Sulfamates: Understanding the Role of Ni(I) Species.","Journal of the American Chemical Society","2017","139","2","922","936","10.1021/jacs.6b11412","","","0.71075","MoKα","","0.0281","0.0259","","","0.0642","0.0653","","","","","","1.081","","","","has coordinates","193135","2020-10-21","18:00:00",""
"4125760","9.443","0.0004","14.1318","0.0006","15.9349","0.0011","111.252","0.008","101.106","0.007","96.437","0.007","1905.9","0.2","161","","161","","","","","","","","","7","P -1","-P 1","2","","","","- C42 H44 Br Fe Ni O2 P2 -","- C42 H44 Br Fe Ni O2 P2 -","- C84 H88 Br2 Fe2 Ni2 O4 P4 -","2","1","","Mohadjer Beromi, Megan; Nova, Ainara; Balcells, David; Brasacchio, Ann M.; Brudvig, Gary W.; Guard, Louise M.; Hazari, Nilay; Vinyard, David J.","Mechanistic Study of an Improved Ni Precatalyst for Suzuki-Miyaura Reactions of Aryl Sulfamates: Understanding the Role of Ni(I) Species.","Journal of the American Chemical Society","2017","139","2","922","936","10.1021/jacs.6b11412","","x-ray","0.71075","MoKα","","0.0637","0.0509","","","0.1161","0.1226","","","","","","1.041","","","","has coordinates","193135","2020-10-21","18:00:00",""
"4125761","18.036","0.004","14.73","0.003","39.096","0.008","90","","98.71","0.03","90","","10267","4","113","2","113.15","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C92 H100 Cl10 N12 O12 -","- C92 H100 Cl10 N12 O12 -","- C368 H400 Cl40 N48 O48 -","4","1","","Wang, Qi-Qiang; Luo, Na; Wang, Xu-Dong; Ao, Yu-Fei; Chen, Yi-Fan; Liu, Jun-Min; Su, Cheng-Yong; Wang, De-Xian; Wang, Mei-Xiang","Molecular Barrel by a Hooping Strategy: Synthesis, Structure, and Selective CO2 Adsorption Facilitated by Lone Pair-π Interactions.","Journal of the American Chemical Society","2017","139","2","635","638","10.1021/jacs.6b12386","","","0.71073","MoKα","","0.1292","0.1145","","","0.3043","0.3151","","","","","","2.013","","","","has coordinates,has disorder","193136","2020-10-21","18:00:00",""
"4125762","15.087","0.005","17.675","0.005","18.954","0.005","90.351","0.009","101.081","0.006","114.785","0.005","4482","2","173.15","","173.15","","","","","","","","","5","P -1","-P 1","2","","","","- C90 H93 Cl9 N12 O12 -","- C90 H93 Cl9 N12 O12 -","- C180 H186 Cl18 N24 O24 -","2","1","","Wang, Qi-Qiang; Luo, Na; Wang, Xu-Dong; Ao, Yu-Fei; Chen, Yi-Fan; Liu, Jun-Min; Su, Cheng-Yong; Wang, De-Xian; Wang, Mei-Xiang","Molecular Barrel by a Hooping Strategy: Synthesis, Structure, and Selective CO2 Adsorption Facilitated by Lone Pair-π Interactions.","Journal of the American Chemical Society","2017","139","2","635","638","10.1021/jacs.6b12386","","","0.71073","MoKα","","0.1331","0.1113","","","0.2245","0.2374","","","","","","1.198","","","","has coordinates,has disorder","288540","2023-12-24","01:16:02",""
"4125763","20.535","0.009","8.546","0.004","28.449","0.013","90","","90.715","0.006","90","","4992","4","150","","150","","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C20 H17 N3 O Pd -","- C20 H17 N3 O Pd -","- C240 H204 N36 O12 Pd12 -","12","3","","Deb, Arghya; Hazra, Avijit; Peng, Qian; Paton, Robert S.; Maiti, Debabrata","Detailed Mechanistic Studies on Palladium-Catalyzed Selective C-H Olefination with Aliphatic Alkenes: A Significant Influence of Proton Shuttling.","Journal of the American Chemical Society","2017","139","2","763","775","10.1021/jacs.6b10309","","","0.7107","MoKα","","0.1455","0.0867","","","0.2199","0.2783","","","","","","1.227","","","","has coordinates","193138","2020-10-21","18:00:00",""
"4125764","6.817","0.003","8.561","0.004","27.641","0.012","90","","90.536","0.007","90","","1613.1","1.2","150","","150","","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C19 H14 F N3 O Pd -","- C19 H14 F N3 O Pd -","- C76 H56 F4 N12 O4 Pd4 -","4","1","","Deb, Arghya; Hazra, Avijit; Peng, Qian; Paton, Robert S.; Maiti, Debabrata","Detailed Mechanistic Studies on Palladium-Catalyzed Selective C-H Olefination with Aliphatic Alkenes: A Significant Influence of Proton Shuttling.","Journal of the American Chemical Society","2017","139","2","763","775","10.1021/jacs.6b10309","","","0.71075","MoKα","","0.0651","0.0445","","","0.102","0.1202","","","","","","1.161","","","","has coordinates","193139","2020-10-21","18:00:00",""
"4125765","8.6326","0.0019","6.7718","0.0014","26.898","0.006","90","","96.149","0.004","90","","1563.4","0.6","100","2","100","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C19 H15 N3 O Pd -","- C19 H15 N3 O Pd -","- C76 H60 N12 O4 Pd4 -","4","1","","Deb, Arghya; Hazra, Avijit; Peng, Qian; Paton, Robert S.; Maiti, Debabrata","Detailed Mechanistic Studies on Palladium-Catalyzed Selective C-H Olefination with Aliphatic Alkenes: A Significant Influence of Proton Shuttling.","Journal of the American Chemical Society","2017","139","2","763","775","10.1021/jacs.6b10309","","","0.71075","MoKα","","0.0403","0.035","","","0.1087","0.1157","","","","","","0.873","","","","has coordinates","193140","2020-10-21","18:00:00",""
"4125766","6.6497","0.0008","13.959","0.002","16.001","0.002","90","","97.167","0.012","90","","1473.7","0.3","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C18 H13 N3 O Pd -","- C18 H13 N3 O Pd -","- C72 H52 N12 O4 Pd4 -","4","1","","Deb, Arghya; Hazra, Avijit; Peng, Qian; Paton, Robert S.; Maiti, Debabrata","Detailed Mechanistic Studies on Palladium-Catalyzed Selective C-H Olefination with Aliphatic Alkenes: A Significant Influence of Proton Shuttling.","Journal of the American Chemical Society","2017","139","2","763","775","10.1021/jacs.6b10309","","x-ray","1.54184","CuKα","","0.1825","0.1212","","","0.2936","0.3805","","","","","","1.181","","","","has coordinates","193141","2020-10-21","18:00:00",""
"4125767","7.411","0.004","9.27","0.005","33.243","0.017","90","","94.575","0.007","90","","2277","2","150","","150","","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C62 H46 D2 N4 O2 -","- C62 H46 D2 N4 O2 -","- C124 H92 D4 N8 O4 -","2","0.5","","Deb, Arghya; Hazra, Avijit; Peng, Qian; Paton, Robert S.; Maiti, Debabrata","Detailed Mechanistic Studies on Palladium-Catalyzed Selective C-H Olefination with Aliphatic Alkenes: A Significant Influence of Proton Shuttling.","Journal of the American Chemical Society","2017","139","2","763","775","10.1021/jacs.6b10309","","","0.7107","MoKα","","0.0845","0.0706","","","0.146","0.1537","","","","","","1.185","","","","has coordinates","193142","2020-10-21","18:00:00",""
"4125768","7.4156","0.0006","18.973","0.002","20.2647","0.0013","90","","90","","90","","2851.2","0.4","100","2","100","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C14 H20 N2 O3 S -","- C14 H20 N2 O3 S -","- C112 H160 N16 O24 S8 -","8","1","","Maestre, Lourdes; Dorel, Ruth; Pablo, Óscar; Escofet, Imma; Sameera, W. M. C.; Álvarez, Eleuterio; Maseras, Feliu; Díaz-Requejo, M Mar; Echavarren, Antonio M.; Pérez, Pedro J","Functional-Group-Tolerant, Silver-Catalyzed N-N Bond Formation by Nitrene Transfer to Amines.","Journal of the American Chemical Society","2017","139","6","2216","2223","10.1021/jacs.6b08219","","","0.7107","MoKα","","0.048","0.0404","","","0.1009","0.1056","","","","","","1.067","","","","has coordinates","193143","2020-10-21","18:00:00",""
"4125769","8.2085","0.0005","23.7502","0.0015","7.368","0.0004","90","","112.863","0.001","90","","1323.57","0.14","173","2","173","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C12 H18 N2 O2 S -","- C12 H18 N2 O2 S -","- C48 H72 N8 O8 S4 -","4","1","","Maestre, Lourdes; Dorel, Ruth; Pablo, Óscar; Escofet, Imma; Sameera, W. M. C.; Álvarez, Eleuterio; Maseras, Feliu; Díaz-Requejo, M Mar; Echavarren, Antonio M.; Pérez, Pedro J","Functional-Group-Tolerant, Silver-Catalyzed N-N Bond Formation by Nitrene Transfer to Amines.","Journal of the American Chemical Society","2017","139","6","2216","2223","10.1021/jacs.6b08219","","","0.71073","MoKα","","0.0843","0.0779","","","0.1507","0.2083","","","","","","1.077","","","","has coordinates","193144","2020-10-21","18:00:00",""
"4125770","7.3139","0.0006","11.178","0.001","12.6984","0.001","76.605","0.005","86.384","0.007","85.863","0.008","1006.13","0.15","100","2","100","2","","","","","","","","6","P -1","-P 1","2","","","","- C41 H50 Cl2 N4 O6 S2 -","- C41 H50 Cl2 N4 O6 S2 -","- C41 H50 Cl2 N4 O6 S2 -","1","0.5","","Maestre, Lourdes; Dorel, Ruth; Pablo, Óscar; Escofet, Imma; Sameera, W. M. C.; Álvarez, Eleuterio; Maseras, Feliu; Díaz-Requejo, M Mar; Echavarren, Antonio M.; Pérez, Pedro J","Functional-Group-Tolerant, Silver-Catalyzed N-N Bond Formation by Nitrene Transfer to Amines.","Journal of the American Chemical Society","2017","139","6","2216","2223","10.1021/jacs.6b08219","","","0.71073","MoKα","","0.0394","0.0343","","","0.0891","0.0919","","","","","","1.033","","","","has coordinates,has disorder","193145","2020-10-21","18:00:00",""
"4125771","7.3081","0.0004","8.147","0.0004","14.0115","0.0009","98.749","0.002","96.772","0.001","112.872","0.002","745.2","0.07","173","2","173","2","","","","","","","","5","P -1","-P 1","2","","","","- C14 H20 N2 O2 S -","- C14 H20 N2 O2 S -","- C28 H40 N4 O4 S2 -","2","1","","Maestre, Lourdes; Dorel, Ruth; Pablo, Óscar; Escofet, Imma; Sameera, W. M. C.; Álvarez, Eleuterio; Maseras, Feliu; Díaz-Requejo, M Mar; Echavarren, Antonio M.; Pérez, Pedro J","Functional-Group-Tolerant, Silver-Catalyzed N-N Bond Formation by Nitrene Transfer to Amines.","Journal of the American Chemical Society","2017","139","6","2216","2223","10.1021/jacs.6b08219","","","0.71073","MoKα","","0.0361","0.0323","","","0.0855","0.0873","","","","","","1.056","","","","has coordinates","193146","2020-10-21","18:00:00",""
"4125772","15.283","0.0006","17.2358","0.0005","21.6574","0.0007","81.538","0.002","81.795","0.003","72.385","0.003","5348.9","0.3","100","0.1","100","0.1","","","","","","","","7","P -1","-P 1","2","","","","- C150 H110 B6 F24 N26 O6 Pd3 -","- C150 H110 B6 F24 N26 O6 Pd3 -","- C150 H110 B6 F24 N26 O6 Pd3 -","1","0.5","","Preston, Dan; Lewis, James E. M.; Crowley, James D.","Multicavity [PdnL4](2n+) Cages with Controlled Segregated Binding of Different Guests.","Journal of the American Chemical Society","2017","139","6","2379","2386","10.1021/jacs.6b11982","","","1.5418","CuKα","","0.1206","0.0974","","","0.251","0.2651","","","","","","1.415","","","","has coordinates","193147","2020-10-21","18:00:00",""
"4125773","20.0327","0.0003","20.7974","0.0005","27.9988","0.0005","90","","90","","90","","11665.1","0.4","100","0.11","100","0.11","","","","","","","","7","F m m m","-F 2 2","69","","","","- C76 H44 B F4 N12 O2 Pd2 -","- C76 H44 B F4 N12 O2 Pd2 -","- C304 H176 B4 F16 N48 O8 Pd8 -","4","0.125","","Preston, Dan; Lewis, James E. M.; Crowley, James D.","Multicavity [PdnL4](2n+) Cages with Controlled Segregated Binding of Different Guests.","Journal of the American Chemical Society","2017","139","6","2379","2386","10.1021/jacs.6b11982","","","1.54184","CuKα","","0.0647","0.0627","","","0.2053","0.2105","","","","","","0.996","","","","has coordinates","193147","2020-10-21","18:00:00",""
"4125774","15.4305","0.0011","11.1187","0.0008","12.8932","0.0009","90","","116.126","0.004","90","","1986","0.3","173","2","173","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C18 H30 Fe O6 -","- C18 H30 Fe O6 -","- C72 H120 Fe4 O24 -","4","0.5","","Lo, Julian C.; Kim, Dongyoung; Pan, Chung-Mao; Edwards, Jacob T.; Yabe, Yuki; Gui, Jinghan; Qin, Tian; Gutiérrez, Sara; Giacoboni, Jessica; Smith, Myles W.; Holland, Patrick L.; Baran, Phil S.","Fe-Catalyzed C-C Bond Construction from Olefins via Radicals.","Journal of the American Chemical Society","2017","139","6","2484","2503","10.1021/jacs.6b13155","","","0.71073","MoKα","","0.048","0.033","","","0.0866","0.095","","","","","","1.006","","","","has coordinates,has disorder","193148","2020-10-21","18:00:00",""
"4125775","5.2765","0.0005","8.7572","0.0007","9.3297","0.0008","75.803","0.007","82.097","0.007","76.752","0.007","405.3","0.06","93","2","93","2","","","","","","","","4","P -1","-P 1","2","","","","- C14 H26 Fe O6 -","- C14 H26 Fe O6 -","- C14 H26 Fe O6 -","1","0.5","","Lo, Julian C.; Kim, Dongyoung; Pan, Chung-Mao; Edwards, Jacob T.; Yabe, Yuki; Gui, Jinghan; Qin, Tian; Gutiérrez, Sara; Giacoboni, Jessica; Smith, Myles W.; Holland, Patrick L.; Baran, Phil S.","Fe-Catalyzed C-C Bond Construction from Olefins via Radicals.","Journal of the American Chemical Society","2017","139","6","2484","2503","10.1021/jacs.6b13155","","","0.71073","MoKα","","0.0312","0.0286","","","0.063","0.0643","","","","","","1.101","","","","has coordinates","193149","2020-10-21","18:00:00",""
"4125776","11.3761","0.0002","18.9915","0.0005","14.7639","0.0004","90","","105.013","0.0014","90","","3080.85","0.13","175","","175","","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C27 H45 Fe O6 -","- C27 H45 Fe O6 -","- C108 H180 Fe4 O24 -","4","1","","Lo, Julian C.; Kim, Dongyoung; Pan, Chung-Mao; Edwards, Jacob T.; Yabe, Yuki; Gui, Jinghan; Qin, Tian; Gutiérrez, Sara; Giacoboni, Jessica; Smith, Myles W.; Holland, Patrick L.; Baran, Phil S.","Fe-Catalyzed C-C Bond Construction from Olefins via Radicals.","Journal of the American Chemical Society","2017","139","6","2484","2503","10.1021/jacs.6b13155","","x-ray","0.71073","MoKα","","0.1076","0.0579","","","0.1332","0.1599","","","","","","1.053","","","","has coordinates","193150","2020-10-21","18:00:00",""
"4125777","21.628","0.004","5.032","0.001","29.519","0.006","90","","104.322","0.002","90","","3112.8","1.1","173","2","173","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C13 H16 Br Cl N2 O3 -","- C13 H16 Br Cl N2 O3 -","- C104 H128 Br8 Cl8 N16 O24 -","8","1","","Soltanzadeh, Bardia; Jaganathan, Arvind; Yi, Yi; Yi, Hajoon; Staples, Richard J.; Borhan, Babak","Highly Regio- and Enantioselective Vicinal Dihalogenation of Allyl Amides.","Journal of the American Chemical Society","2017","139","6","2132","2135","10.1021/jacs.6b09203","","","0.71073","MoKα","","0.1253","0.0792","","","0.2131","0.2359","","","","","","1.107","","","","has coordinates","193151","2020-10-21","18:00:00",""
"4125778","21.5878","0.0015","5.0337","0.0003","14.653","0.0009","90","","104.612","0.005","90","","1540.79","0.17","173","2","173","","","","","","","","","5","C 1 2 1","C 2y","5","","","","- C13 H16 Cl2 N2 O3 -","- C13 H16 Cl2 N2 O3 -","- C52 H64 Cl8 N8 O12 -","4","1","","Soltanzadeh, Bardia; Jaganathan, Arvind; Yi, Yi; Yi, Hajoon; Staples, Richard J.; Borhan, Babak","Highly Regio- and Enantioselective Vicinal Dihalogenation of Allyl Amides.","Journal of the American Chemical Society","2017","139","6","2132","2135","10.1021/jacs.6b09203","","","1.54178","CuKα","","0.0673","0.039","","","0.0854","0.1043","","","","","","1.093","","","","has coordinates","193152","2020-10-21","18:00:00",""
"4125779","7.25525","0.00005","19.25052","0.00014","7.53413","0.00005","90","","95.0908","0.0006","90","","1048.12","0.013","293","","293","","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C24 H18 N2 O6 -","- C24 H18 N2 O6 -","- C48 H36 N4 O12 -","2","1","","Raut, Vivek S.; Jean, Marion; Vanthuyne, Nicolas; Roussel, Christian; Constantieux, Thierry; Bressy, Cyril; Bugaut, Xavier; Bonne, Damien; Rodriguez, Jean","Enantioselective Syntheses of Furan Atropisomers by an Oxidative Central-to-Axial Chirality Conversion Strategy.","Journal of the American Chemical Society","2017","139","6","2140","2143","10.1021/jacs.6b11079","","x-ray","1.54184","CuKα","","0.0376","0.0375","","","0.0906","0.0908","","","","","","1.102","","","","has coordinates","193153","2020-10-21","18:00:00",""
"4125780","9.55555","0.00016","7.80421","0.0001","25.874","0.0004","90","","90.4089","0.0015","90","","1929.47","0.05","110","2","110","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C23 H31 F O3 -","- C23 H31 F O3 -","- C92 H124 F4 O12 -","4","2","","Pitts, Cody Ross; Bume, Desta Doro; Harry, Stefan Andrew; Siegler, Maxime A.; Lectka, Thomas","Multiple Enone-Directed Reactivity Modes Lead to the Selective Photochemical Fluorination of Polycyclic Terpenoid Derivatives.","Journal of the American Chemical Society","2017","139","6","2208","2211","10.1021/jacs.7b00335","","","1.54178","CuKα","","0.0387","0.0384","","","0.0998","0.1002","","","","","","1.038","","","","has coordinates,has disorder","193154","2020-10-21","18:00:00",""
"4125781","6.3278","0.0015","7.8999","0.0019","15.744","0.004","90","","90","","90","","787","0.3","296","2","296","2","","","","","","","","4","C m c 21","C 2c -2","36","","","","- C6 N2 O2 S4 -","- C6 N2 O2 S4 -","- C24 N8 O8 S16 -","4","0.5","","Mailman, Aaron; Leitch, Alicea A.; Yong, Wenjun; Steven, Eden; Winter, Stephen M.; Claridge, Robert C. M.; Assoud, Abdeljalil; Tse, John S.; Desgreniers, Serge; Secco, Richard A.; Oakley, Richard T.","The Power of Packing: Metallization of an Organic Semiconductor.","Journal of the American Chemical Society","2017","139","6","2180","2183","10.1021/jacs.6b12814","","","0.71073","MoKα","","0.0368","0.033","","","0.0758","0.0952","","","","","","1.181","","","","has coordinates","193155","2020-10-21","18:00:00",""
"4125782","13.1616","0.0008","16.236","0.001","6.2846","0.0004","90","","95.715","0.001","90","","1336.29","0.14","296","2","296","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C7 H F3 N2 O5 S5 -","- C7 H F3 N2 O5 S5 -","- C28 H4 F12 N8 O20 S20 -","4","1","","Mailman, Aaron; Leitch, Alicea A.; Yong, Wenjun; Steven, Eden; Winter, Stephen M.; Claridge, Robert C. M.; Assoud, Abdeljalil; Tse, John S.; Desgreniers, Serge; Secco, Richard A.; Oakley, Richard T.","The Power of Packing: Metallization of an Organic Semiconductor.","Journal of the American Chemical Society","2017","139","6","2180","2183","10.1021/jacs.6b12814","","","0.71073","MoKα","","0.0386","0.0304","","","0.0688","0.0755","","","","","","1.045","","","","has coordinates","193156","2020-10-21","18:00:00",""
"4125783","8.7071","0.0009","18.0486","0.0019","23.181","0.003","90","","97.786","0.002","90","","3609.3","0.7","100","2","100","2","","","","","","","see paper","5","P 1 21/n 1","-P 2yn","14","","Pentamethyl-hapto-5-cyclopentadienyl-chloro-1-hydroxycyclohexyl-prop-2-ynyl-ruthenium(ii)","","- C19 H29 Cl O Ru -","- C19 H29 Cl O Ru -","- C152 H232 Cl8 O8 Ru8 -","8","2","","Roşca, Dragoş-Adrian; Radkowski, Karin; Wolf, Larry M.; Wagh, Minal; Goddard, Richard; Thiel, Walter; Fürstner, Alois","Ruthenium-Catalyzed Alkyne trans-Hydrometalation: Mechanistic Insights and Preparative Implications.","Journal of the American Chemical Society","2017","139","6","2443","2455","10.1021/jacs.6b12517","","","0.71073","Mo-Kα","","0.0961","0.0469","","","0.0877","0.1028","","","","","","1.019","","","","has coordinates","193157","2020-10-21","18:00:00",""
"4125784","14.0577","0.0008","8.4937","0.0003","15.6148","0.0007","90","","106.404","0.003","90","","1788.54","0.15","100","2","100","2","","","","","","","diethylether","6","P 1 21/c 1","-P 2ybc","14","","Pentamethyl-hapto-5-cyclopentadienyl-chloro-1-hydroxy-1,1-di(trifluoromethyl)- but-2-ynyl-ruthenium(ii)","","- C16 H19 Cl F6 O Ru -","- C16 H19 Cl F6 O Ru -","- C64 H76 Cl4 F24 O4 Ru4 -","4","1","","Roşca, Dragoş-Adrian; Radkowski, Karin; Wolf, Larry M.; Wagh, Minal; Goddard, Richard; Thiel, Walter; Fürstner, Alois","Ruthenium-Catalyzed Alkyne trans-Hydrometalation: Mechanistic Insights and Preparative Implications.","Journal of the American Chemical Society","2017","139","6","2443","2455","10.1021/jacs.6b12517","","","0.71073","MoKα","","0.0232","0.0213","","","0.0559","0.0577","","","","","","1.079","","","","has coordinates","193157","2020-10-21","18:00:00",""
"4125785","17.577","0.002","8.656","0.0012","32.749","0.004","90","","90","","90","","4982.6","1.1","100","2","100","2","","","","","","","dichloromethane,pentane","7","P b c a","-P 2ac 2ab","61","","1N-(1-prop-2-ynyl-cyclohexyl)-4-methyl-benzenesulfonamide","","- C26 H36 Cl N O2 Ru S -","- C26 H36 Cl N O2 Ru S -","- C208 H288 Cl8 N8 O16 Ru8 S8 -","8","1","","Roşca, Dragoş-Adrian; Radkowski, Karin; Wolf, Larry M.; Wagh, Minal; Goddard, Richard; Thiel, Walter; Fürstner, Alois","Ruthenium-Catalyzed Alkyne trans-Hydrometalation: Mechanistic Insights and Preparative Implications.","Journal of the American Chemical Society","2017","139","6","2443","2455","10.1021/jacs.6b12517","","","0.71073","Mo-Kα","","0.0294","0.0259","","","0.0551","0.0563","","","","","","1.197","","","","has coordinates","193157","2020-10-21","18:00:00",""
"4125786","8.3798","0.0003","15.161","0.002","13.0046","0.0009","90","","99.954","0.006","90","","1627.3","0.3","100","2","100","2","","","","","","","pentane","5","P 1 21/n 1","-P 2yn","14","","pentamethylcyclopentadienyl-chloro-2-hydroxy-3-hexyne-ruthenium(ii)","","- C16 H25 Cl O Ru -","- C16 H25 Cl O Ru -","- C64 H100 Cl4 O4 Ru4 -","4","1","","Roşca, Dragoş-Adrian; Radkowski, Karin; Wolf, Larry M.; Wagh, Minal; Goddard, Richard; Thiel, Walter; Fürstner, Alois","Ruthenium-Catalyzed Alkyne trans-Hydrometalation: Mechanistic Insights and Preparative Implications.","Journal of the American Chemical Society","2017","139","6","2443","2455","10.1021/jacs.6b12517","","","0.71073","MoKα","","0.0639","0.0393","","","0.0745","0.0831","","","","","","1.042","","","","has coordinates","193157","2020-10-21","18:00:00",""
"4125787","8.4796","0.0004","9.6569","0.0003","11.3596","0.0007","103.839","0.004","95.099","0.005","111.774","0.003","822.33","0.08","100","2","100","2","","","","","","","pentane","5","P -1","-P 1","2","","pentamethylcyclopentadienyl-chloro-2-hydroxy-3-hexyne-ruthenium(ii)","","- C16 H25 Cl O Ru -","- C16 H25 Cl O Ru -","- C32 H50 Cl2 O2 Ru2 -","2","1","","Roşca, Dragoş-Adrian; Radkowski, Karin; Wolf, Larry M.; Wagh, Minal; Goddard, Richard; Thiel, Walter; Fürstner, Alois","Ruthenium-Catalyzed Alkyne trans-Hydrometalation: Mechanistic Insights and Preparative Implications.","Journal of the American Chemical Society","2017","139","6","2443","2455","10.1021/jacs.6b12517","","","0.71073","MoKα","","0.0512","0.0401","","","0.0969","0.1047","","","","","","1.049","","","","has coordinates","193157","2020-10-21","18:00:00",""
"4125788","11.375","0.008","21.717","0.015","19.94","0.014","90","","94.351","0.014","90","","4912","6","100","2","100","2","","","","","","","pentane","4","P 1 21/n 1","-P 2yn","14","","tetrakis(pentamethylcyclopentadienyl-ruthenium-chloride) 4,4-dimethyl-2-pentyne","","- C47 H72 Cl4 Ru4 -","- C47 H72 Cl4 Ru4 -","- C188 H288 Cl16 Ru16 -","4","1","","Roşca, Dragoş-Adrian; Radkowski, Karin; Wolf, Larry M.; Wagh, Minal; Goddard, Richard; Thiel, Walter; Fürstner, Alois","Ruthenium-Catalyzed Alkyne trans-Hydrometalation: Mechanistic Insights and Preparative Implications.","Journal of the American Chemical Society","2017","139","6","2443","2455","10.1021/jacs.6b12517","","","0.71073","Mo-Kα","","0.0459","0.0308","","","0.0889","0.1006","","","","","","0.912","","","","has coordinates","193157","2020-10-21","18:00:00",""
"4125789","15.146","0.008","8.397","0.005","17.685","0.01","90","","95.953","0.01","90","","2237","2","100","2","100","2","","","","","","","pentane","7","P 1 21/c 1","-P 2ybc","14","","pentamethylcyclopentadienyl-chloro-trimethylphosphine-1,1,1- trifluoro-2-hydroxy-2(trifluoromethyl)-3-pentyne-ruthenium(ii)","","- C19 H28 Cl F6 O P Ru -","- C19 H28 Cl F6 O P Ru -","- C76 H112 Cl4 F24 O4 P4 Ru4 -","4","1","","Roşca, Dragoş-Adrian; Radkowski, Karin; Wolf, Larry M.; Wagh, Minal; Goddard, Richard; Thiel, Walter; Fürstner, Alois","Ruthenium-Catalyzed Alkyne trans-Hydrometalation: Mechanistic Insights and Preparative Implications.","Journal of the American Chemical Society","2017","139","6","2443","2455","10.1021/jacs.6b12517","","","0.71073","Mo-Kα","","0.042","0.0355","","","0.0827","0.0856","","","","","","1.144","","","","has coordinates","193157","2020-10-21","18:00:00",""
"4125790","8.7929","0.0013","12.2158","0.0018","20.666","0.003","90","","99.091","0.002","90","","2191.9","0.6","100","2","100","2","","","","","","","pentane","7","P 1 21/n 1","-P 2yn","14","","pentamethylcyclopentadienyl-chloro-pyridyl-1,1,1- trifluoro-2-hydroxy-2(trifluoromethyl)-3-pentyne-ruthenium(ii)","","- C21 H24 Cl F6 N O Ru -","- C21 H24 Cl F6 N O Ru -","- C84 H96 Cl4 F24 N4 O4 Ru4 -","4","1","","Roşca, Dragoş-Adrian; Radkowski, Karin; Wolf, Larry M.; Wagh, Minal; Goddard, Richard; Thiel, Walter; Fürstner, Alois","Ruthenium-Catalyzed Alkyne trans-Hydrometalation: Mechanistic Insights and Preparative Implications.","Journal of the American Chemical Society","2017","139","6","2443","2455","10.1021/jacs.6b12517","","","0.71073","Mo-Kα","","0.0309","0.0221","","","0.0507","0.0538","","","","","","1.023","","","","has coordinates","193157","2020-10-21","18:00:00",""
"4125791","11.464","0.0004","13.5176","0.0005","17.7065","0.0006","79.166","0.002","83.578","0.002","66.499","0.002","2469.38","0.16","100","","100","","","","","","","","","7","P -1","-P 1","2","","","","- C47 H64 Ce F6 Li N7 O3 -","- C47 H64 Ce F6 Li N7 O3 -","- C94 H128 Ce2 F12 Li2 N14 O6 -","2","1","","Solola, Lukman A.; Zabula, Alexander V.; Dorfner, Walter L.; Manor, Brian C.; Carroll, Patrick J.; Schelter, Eric J.","Cerium(IV) Imido Complexes: Structural, Computational, and Reactivity Studies.","Journal of the American Chemical Society","2017","139","6","2435","2442","10.1021/jacs.6b12369","","","0.71073","MoKα","","0.0566","0.041","","","0.0927","0.1002","","","","","","1.053","","","","has coordinates","193158","2020-10-21","18:00:00",""
"4125792","19.7839","0.0005","19.5288","0.0004","25.0902","0.0005","90","","90","","90","","9693.7","0.4","100","","100","","","","","","","","","7","P b c a","-P 2ac 2ab","61","","","","- C49 H66 Ce F6 Li N5 O5 -","- C49 H66 Ce F6 Li N5 O5 -","- C392 H528 Ce8 F48 Li8 N40 O40 -","8","1","","Solola, Lukman A.; Zabula, Alexander V.; Dorfner, Walter L.; Manor, Brian C.; Carroll, Patrick J.; Schelter, Eric J.","Cerium(IV) Imido Complexes: Structural, Computational, and Reactivity Studies.","Journal of the American Chemical Society","2017","139","6","2435","2442","10.1021/jacs.6b12369","","","0.71073","MoKα","","0.0805","0.0515","","","0.1174","0.1314","","","","","","1.046","","","","has coordinates","193158","2020-10-21","18:00:00",""
"4125793","11.0902","0.0011","28.429","0.003","16.8064","0.0017","90","","93.708","0.005","90","","5287.7","0.9","100","","100","","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C49 H68 Ce F6 N5 O7 Rb -","- C49 H68 Ce F6 N5 O7 Rb -","- C196 H272 Ce4 F24 N20 O28 Rb4 -","4","1","","Solola, Lukman A.; Zabula, Alexander V.; Dorfner, Walter L.; Manor, Brian C.; Carroll, Patrick J.; Schelter, Eric J.","Cerium(IV) Imido Complexes: Structural, Computational, and Reactivity Studies.","Journal of the American Chemical Society","2017","139","6","2435","2442","10.1021/jacs.6b12369","","","0.71073","MoKα","","0.0289","0.0252","","","0.0595","0.0612","","","","","","1.045","","","","has coordinates","193158","2020-10-21","18:00:00",""
"4125794","11.1543","0.001","28.543","0.002","16.8906","0.0014","90","","93.714","0.004","90","","5366.3","0.8","100","","100","","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C49 H68 Ce Cs F6 N5 O7 -","- C49 H68 Ce Cs F6 N5 O7 -","- C196 H272 Ce4 Cs4 F24 N20 O28 -","4","1","","Solola, Lukman A.; Zabula, Alexander V.; Dorfner, Walter L.; Manor, Brian C.; Carroll, Patrick J.; Schelter, Eric J.","Cerium(IV) Imido Complexes: Structural, Computational, and Reactivity Studies.","Journal of the American Chemical Society","2017","139","6","2435","2442","10.1021/jacs.6b12369","","","0.71073","MoKα","","0.0454","0.0301","","","0.0623","0.0676","","","","","","1.011","","","","has coordinates","193158","2020-10-21","18:00:00",""
"4125795","11.767","0.0005","11.964","0.0006","25.5445","0.0012","95.034","0.002","95.122","0.002","117.863","0.001","3132.1","0.3","100","","100","","","","","","","","","7","P -1","-P 1","2","","","","- C59 H84 Ce Cs F6 N7 O9 -","- C59 H84 Ce Cs F6 N7 O9 -","- C118 H168 Ce2 Cs2 F12 N14 O18 -","2","1","","Solola, Lukman A.; Zabula, Alexander V.; Dorfner, Walter L.; Manor, Brian C.; Carroll, Patrick J.; Schelter, Eric J.","Cerium(IV) Imido Complexes: Structural, Computational, and Reactivity Studies.","Journal of the American Chemical Society","2017","139","6","2435","2442","10.1021/jacs.6b12369","","","0.71073","MoKα","","0.0501","0.0426","","","0.1086","0.1154","","","","","","1.072","","","","has coordinates","193158","2020-10-21","18:00:00",""
"4125796","12.1955","0.0006","19.2723","0.0009","19.6671","0.0009","61.128","0.002","72.629","0.003","74.641","0.003","3822.8","0.3","100","","100","","","","","","","","","6","P -1","-P 1","2","","","","- C36 H54 Ce N4 O4 Si -","- C36 H54 Ce N4 O4 Si -","- C144 H216 Ce4 N16 O16 Si4 -","4","2","","Solola, Lukman A.; Zabula, Alexander V.; Dorfner, Walter L.; Manor, Brian C.; Carroll, Patrick J.; Schelter, Eric J.","Cerium(IV) Imido Complexes: Structural, Computational, and Reactivity Studies.","Journal of the American Chemical Society","2017","139","6","2435","2442","10.1021/jacs.6b12369","","","0.71073","MoKα","","0.1201","0.0695","","","0.1546","0.1872","","","","","","1.058","","","","has coordinates,has disorder","193158","2020-10-21","18:00:00",""
"4125797","18.8613","0.0006","19.5186","0.0007","25.8496","0.0008","75.561","0.002","71.443","0.002","70.556","0.002","8396.9","0.5","100","","100","","","","","","","","","6","P -1","-P 1","2","","","","- C164 H244 Ce4 N16 O24 Rb4 -","- C164 H244 Ce4 N16 O24 Rb4 -","- C328 H488 Ce8 N32 O48 Rb8 -","2","1","","Solola, Lukman A.; Zabula, Alexander V.; Dorfner, Walter L.; Manor, Brian C.; Carroll, Patrick J.; Schelter, Eric J.","Cerium(IV) Imido Complexes: Structural, Computational, and Reactivity Studies.","Journal of the American Chemical Society","2017","139","6","2435","2442","10.1021/jacs.6b12369","","","0.71073","MoKα","","0.0658","0.0407","","","0.0949","0.1094","","","","","","1.05","","","","has coordinates","193158","2020-10-21","18:00:00",""
"4125798","13.4015","0.0003","16.3553","0.0004","8.0023","0.0002","90","","104.143","0.001","90","","1700.82","0.07","100","","100","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C21 H13 F6 N -","- C21 H13 F6 N -","- C84 H52 F24 N4 -","4","1","","Solola, Lukman A.; Zabula, Alexander V.; Dorfner, Walter L.; Manor, Brian C.; Carroll, Patrick J.; Schelter, Eric J.","Cerium(IV) Imido Complexes: Structural, Computational, and Reactivity Studies.","Journal of the American Chemical Society","2017","139","6","2435","2442","10.1021/jacs.6b12369","","","0.71073","MoKα","","0.0456","0.0337","","","0.0833","0.0901","","","","","","1.023","","","","has coordinates,has disorder","193158","2020-10-21","18:00:00",""
"4125799","16.166","0.0006","13.71","0.0005","19.9425","0.0007","90","","92.391","0.002","90","","4416.1","0.3","110.15","","110.15","","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C42 H84 Cl2 Ni P2 -","- C42 H84 Cl2 Ni P2 -","- C168 H336 Cl8 Ni4 P8 -","4","1","","Kharel, Sugam; Joshi, Hemant; Bierschenk, Stephen; Stollenz, Michael; Taher, Deeb; Bhuvanesh, Nattamai; Gladysz, John A.","Homeomorphic Isomerization as a Design Element in Container Molecules; Binding, Displacement, and Selective Transport of MCl2 Species (M = Pt, Pd, Ni).","Journal of the American Chemical Society","2017","139","6","2172","2175","10.1021/jacs.6b12788","","","1.54178","CuKα","","0.0694","0.0564","","","0.1318","0.138","","","","","","1.041","","","","has coordinates","193159","2020-10-21","18:00:00",""
"4125800","6.2867","0.0002","11.639","0.0004","14.1583","0.0005","89.836","0.003","81.364","0.003","83.017","0.003","1016.51","0.06","150","","150","","","","","","","","","3","P -1","-P 1","2","","","","- C23 H36 O -","- C23 H36 O -","- C46 H72 O2 -","2","1","","Akhtar, Wasim M.; Cheong, Choon Boon; Frost, James R.; Christensen, Kirsten E.; Stevenson, Neil G.; Donohoe, Timothy J.","Hydrogen Borrowing Catalysis with Secondary Alcohols: A New Route for the Generation of β-Branched Carbonyl Compounds.","Journal of the American Chemical Society","2017","139","7","2577","2580","10.1021/jacs.6b12840","","","1.5418","CuKα","","0.0546","0.0537","","0.162","0.1616","0.162","","","","","","1.06","","","","has coordinates","193161","2020-10-21","18:00:00",""
"4125801","8.878","0.0001","10.7076","0.0001","19.1836","0.0002","90","","100.818","0.0007","90","","1791.22","0.03","150","","150","","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C20 H27 F3 O -","- C20 H27 F3 O -","- C80 H108 F12 O4 -","4","1","","Akhtar, Wasim M.; Cheong, Choon Boon; Frost, James R.; Christensen, Kirsten E.; Stevenson, Neil G.; Donohoe, Timothy J.","Hydrogen Borrowing Catalysis with Secondary Alcohols: A New Route for the Generation of β-Branched Carbonyl Compounds.","Journal of the American Chemical Society","2017","139","7","2577","2580","10.1021/jacs.6b12840","","","1.5418","CuKα","","0.0404","0.0402","","0.1101","0.1098","0.1101","","","","","","1.001","","","","has coordinates","193161","2020-10-21","18:00:00",""
"4125802","15.6288","0.0003","6.0197","0.0001","23.2786","0.0004","90","","105.14","0.0008","90","","2114.05","0.07","150","","150","","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C26 H34 O2 -","- C26 H34 O2 -","- C104 H136 O8 -","4","1","","Akhtar, Wasim M.; Cheong, Choon Boon; Frost, James R.; Christensen, Kirsten E.; Stevenson, Neil G.; Donohoe, Timothy J.","Hydrogen Borrowing Catalysis with Secondary Alcohols: A New Route for the Generation of β-Branched Carbonyl Compounds.","Journal of the American Chemical Society","2017","139","7","2577","2580","10.1021/jacs.6b12840","","","0.71073","MoKα","","0.0622","0.0452","","0.1193","0.1067","0.1193","","","","","","1.0107","","","","has coordinates","193161","2020-10-21","18:00:00",""
"4125803","8.7086","0.0004","9.1288","0.0004","24.7749","0.0006","84.564","0.003","84.328","0.003","81.969","0.003","1934.16","0.13","150","","150","","","","","","","","","3","P -1","-P 1","2","","","","- C23 H34 O -","- C23 H34 O -","- C92 H136 O4 -","4","2","","Akhtar, Wasim M.; Cheong, Choon Boon; Frost, James R.; Christensen, Kirsten E.; Stevenson, Neil G.; Donohoe, Timothy J.","Hydrogen Borrowing Catalysis with Secondary Alcohols: A New Route for the Generation of β-Branched Carbonyl Compounds.","Journal of the American Chemical Society","2017","139","7","2577","2580","10.1021/jacs.6b12840","","","1.54184","CuKα","","0.059","0.0533","","0.1697","0.1556","0.1694","","","","","","0.9927","","","","has coordinates","193161","2020-10-21","18:00:00",""
"4125804","17.8727","0.0002","18.7412","0.0002","19.8363","0.0002","66.321","0.001","67.01","0.001","69.406","0.001","5449.88","0.11","120","2","120","2","","","","","","","","6","P -1","-P 1","2","","","","- C56.67 H84 F12 N27.33 O15 P2 -","- C56.6667 H82 F12 N27.3333 O15.0001 P2 -","- C170 H246 F36 N82 O45.0004 P6 -","3","1.5","","Fiala, Tomas; Ludvíková, Lucie; Heger, Dominik; Švec, Jan; Slanina, Tomáš; Vetráková, L'ubica; Babiak, Michal; Nečas, Marek; Kulhánek, Petr; Klán, Petr; Sindelar, Vladimir","Bambusuril as a One-Electron Donor for Photoinduced Electron Transfer to Methyl Viologen in Mixed Crystals.","Journal of the American Chemical Society","2017","139","7","2597","2603","10.1021/jacs.6b08589","","","0.71073","MoKα","","0.0638","0.0617","","","0.1767","0.1792","","","","","","1.027","","","","has coordinates,has disorder","193162","2020-10-21","18:00:00",""
"4125805","11.9917","0.0003","15.268","0.0005","21.2185","0.0005","95.821","0.002","91","0.002","107.853","0.003","3673.9","0.19","120","2","120","2","","","","","","","","6","P -1","-P 1","2","","","","- C52 H83 B F4 N25 O16 -","- C52 H83 B F4 N25 O16 -","- C104 H166 B2 F8 N50 O32 -","2","1","","Fiala, Tomas; Ludvíková, Lucie; Heger, Dominik; Švec, Jan; Slanina, Tomáš; Vetráková, L'ubica; Babiak, Michal; Nečas, Marek; Kulhánek, Petr; Klán, Petr; Sindelar, Vladimir","Bambusuril as a One-Electron Donor for Photoinduced Electron Transfer to Methyl Viologen in Mixed Crystals.","Journal of the American Chemical Society","2017","139","7","2597","2603","10.1021/jacs.6b08589","","","0.71073","MoKα","","0.0688","0.0623","","","0.1791","0.1853","","","","","","1.027","","","","has coordinates,has disorder","193163","2020-10-21","18:00:00",""
"4125806","11.142","0.002","36.046","0.007","36.238","0.007","90","","90.06","0.03","90","","14554","5","100","2","100","2","","","","","","","","5","P 1 c 1","P -2yc","7","","","","- C22 H36 Fe O3 P2 -","- C22 H36 Fe O3 P2 -","- C528 H864 Fe24 O72 P48 -","24","12","","Dauth, Alexander; Gellrich, Urs; Diskin-Posner, Yael; Ben-David, Yehoshoa; Milstein, David","The Ferraquinone-Ferrahydroquinone Couple: Combining Quinonic and Metal-Based Reactivity.","Journal of the American Chemical Society","2017","139","7","2799","2807","10.1021/jacs.6b13050","","","0.8","","","0.0991","0.0933","","","0.2589","0.2746","","","","","","1.132","","","","has coordinates,has disorder","193164","2020-10-21","18:00:00",""
"4125807","11.1787","0.0005","10.1691","0.0004","13.5949","0.0006","90","","112.182","0.002","90","","1431.05","0.11","100","2","100","2","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C26 H43 Cl Fe O4 P2 -","- C26 H43 Cl Fe O4 P2 -","- C52 H86 Cl2 Fe2 O8 P4 -","2","1","","Dauth, Alexander; Gellrich, Urs; Diskin-Posner, Yael; Ben-David, Yehoshoa; Milstein, David","The Ferraquinone-Ferrahydroquinone Couple: Combining Quinonic and Metal-Based Reactivity.","Journal of the American Chemical Society","2017","139","7","2799","2807","10.1021/jacs.6b13050","","","0.71073","MoKα","","0.0451","0.0436","","","0.1117","0.1125","","","","","","1.077","","","","has coordinates,has disorder","193164","2020-10-21","18:00:00",""
"4125808","9.5234","0.0003","11.7435","0.0003","12.329","0.0004","82.598","0.002","82.607","0.002","69.849","0.001","1278.39","0.07","100","2","100","2","","","","","","","","6","P -1","-P 1","2","","","","- C22 H33 Br3 Fe O3 P2 -","- C22 H33 Br3 Fe O3 P2 -","- C44 H66 Br6 Fe2 O6 P4 -","2","1","","Dauth, Alexander; Gellrich, Urs; Diskin-Posner, Yael; Ben-David, Yehoshoa; Milstein, David","The Ferraquinone-Ferrahydroquinone Couple: Combining Quinonic and Metal-Based Reactivity.","Journal of the American Chemical Society","2017","139","7","2799","2807","10.1021/jacs.6b13050","","","0.71073","MoKα","","0.0545","0.0406","","","0.0832","0.0883","","","","","","1.068","","","","has coordinates,has disorder","193164","2020-10-21","18:00:00",""
"4125809","14.8666","0.0016","12.0744","0.0013","16.2967","0.0018","90","","117.105","0.005","90","","2604.1","0.5","100","2","100","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C51 H76 Fe2 O8 P4 -","- C51 H76 Fe2 O8 P4 -","- C102 H152 Fe4 O16 P8 -","2","0.5","","Dauth, Alexander; Gellrich, Urs; Diskin-Posner, Yael; Ben-David, Yehoshoa; Milstein, David","The Ferraquinone-Ferrahydroquinone Couple: Combining Quinonic and Metal-Based Reactivity.","Journal of the American Chemical Society","2017","139","7","2799","2807","10.1021/jacs.6b13050","","","0.71073","MoKα","","0.0381","0.0306","","","0.0753","0.0802","","","","","","1.028","","","","has coordinates,has disorder","193164","2020-10-21","18:00:00",""
"4125810","8.3823","0.0003","26.3852","0.0007","8.9783","0.0003","90","","116.224","0.005","90","","1781.34","0.13","293","2","293","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C16 H11 B F6 N2 O2 -","- C16 H11 B F6 N2 O2 -","- C64 H44 B4 F24 N8 O8 -","4","1","","Georgiou, Irene; Kervyn, Simon; Rossignon, Alexandre; De Leo, Federica; Wouters, Johan; Bruylants, Gilles; Bonifazi, Davide","Versatile Self-Adapting Boronic Acids for H-Bond Recognition: From Discrete to Polymeric Supramolecules.","Journal of the American Chemical Society","2017","139","7","2710","2727","10.1021/jacs.6b11362","","","1.54184","CuKα","","0.0614","0.0506","","","0.1361","0.1526","","","","","","1.128","","","","has coordinates,has disorder","193165","2020-10-21","18:00:00",""
"4125811","7.4226","0.001","25.677","0.004","10.9888","0.0016","90","","109.143","0.016","90","","1978.5","0.5","293","2","293","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C40 H34 B2 Cl4 N4 O4 -","- C40 H34 B2 Cl4 N4 O4 -","- C80 H68 B4 Cl8 N8 O8 -","2","0.5","","Georgiou, Irene; Kervyn, Simon; Rossignon, Alexandre; De Leo, Federica; Wouters, Johan; Bruylants, Gilles; Bonifazi, Davide","Versatile Self-Adapting Boronic Acids for H-Bond Recognition: From Discrete to Polymeric Supramolecules.","Journal of the American Chemical Society","2017","139","7","2710","2727","10.1021/jacs.6b11362","","","0.71073","MoKα","","0.1088","0.074","","","0.1756","0.1997","","","","","","1.048","","","","has coordinates,has disorder","193166","2020-10-21","18:00:00",""
"4125812","14.9982","0.0006","10.8389","0.0003","13.0251","0.0005","90","","93.653","0.003","90","","2113.11","0.13","293","2","293","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C20 H18 B2 N4 O4 S -","- C20 H18 B2 N4 O4 S -","- C80 H72 B8 N16 O16 S4 -","4","1","","Georgiou, Irene; Kervyn, Simon; Rossignon, Alexandre; De Leo, Federica; Wouters, Johan; Bruylants, Gilles; Bonifazi, Davide","Versatile Self-Adapting Boronic Acids for H-Bond Recognition: From Discrete to Polymeric Supramolecules.","Journal of the American Chemical Society","2017","139","7","2710","2727","10.1021/jacs.6b11362","","","0.71073","MoKα","","0.0573","0.0429","","","0.1007","0.11","","","","","","1.059","","","","has coordinates","193167","2020-10-21","18:00:00",""
"4125813","14.6436","0.0013","3.921","0.0003","28.941","0.003","90","","104.749","0.009","90","","1607","0.3","293","2","293","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C18 H12 B F3 N2 O2 -","- C18 H12 B F3 N2 O2 -","- C72 H48 B4 F12 N8 O8 -","4","1","","Georgiou, Irene; Kervyn, Simon; Rossignon, Alexandre; De Leo, Federica; Wouters, Johan; Bruylants, Gilles; Bonifazi, Davide","Versatile Self-Adapting Boronic Acids for H-Bond Recognition: From Discrete to Polymeric Supramolecules.","Journal of the American Chemical Society","2017","139","7","2710","2727","10.1021/jacs.6b11362","","","0.71073","MoKα","","0.1124","0.0877","","","0.2067","0.2258","","","","","","1.151","","","","has coordinates","193168","2020-10-21","18:00:00",""
"4125814","6.797","0.0003","9.802","0.0005","10.6491","0.0006","113.714","0.005","93.663","0.004","96.856","0.004","640.03","0.06","293","2","293","2","","","","","","","","7","P -1","-P 1","2","","","","- C26 H20 B2 Br0.8 Cl1.2 N4 O4 -","- C26 H20 B2 Br0.8 Cl1.2 N4 O4 -","- C26 H20 B2 Br0.8 Cl1.2 N4 O4 -","1","0.5","","Georgiou, Irene; Kervyn, Simon; Rossignon, Alexandre; De Leo, Federica; Wouters, Johan; Bruylants, Gilles; Bonifazi, Davide","Versatile Self-Adapting Boronic Acids for H-Bond Recognition: From Discrete to Polymeric Supramolecules.","Journal of the American Chemical Society","2017","139","7","2710","2727","10.1021/jacs.6b11362","","","0.71073","MoKα","","0.0405","0.0319","","","0.0857","0.0897","","","","","","1.098","","","","has coordinates,has disorder","193169","2020-10-21","18:00:00",""
"4125815","13.5305","0.0011","14.1551","0.0011","8.1397","0.0006","90","","95.118","0.007","90","","1552.7","0.2","293","2","293","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C14 H11 B Br2 N2 O2 -","- C14 H11 B Br2 N2 O2 -","- C56 H44 B4 Br8 N8 O8 -","4","1","","Georgiou, Irene; Kervyn, Simon; Rossignon, Alexandre; De Leo, Federica; Wouters, Johan; Bruylants, Gilles; Bonifazi, Davide","Versatile Self-Adapting Boronic Acids for H-Bond Recognition: From Discrete to Polymeric Supramolecules.","Journal of the American Chemical Society","2017","139","7","2710","2727","10.1021/jacs.6b11362","","","0.71073","MoKα","","0.0729","0.0396","","","0.0773","0.0914","","","","","","1.038","","","","has coordinates","193170","2020-10-21","18:00:00",""
"4125816","10.1517","0.0006","11.1294","0.0008","11.391","0.0007","80.742","0.006","86.043","0.005","80.122","0.006","1250.25","0.14","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C50 H48 B6 N8 O12 -","- C50 H48 B6 N8 O12 -","- C50 H48 B6 N8 O12 -","1","0.5","","Georgiou, Irene; Kervyn, Simon; Rossignon, Alexandre; De Leo, Federica; Wouters, Johan; Bruylants, Gilles; Bonifazi, Davide","Versatile Self-Adapting Boronic Acids for H-Bond Recognition: From Discrete to Polymeric Supramolecules.","Journal of the American Chemical Society","2017","139","7","2710","2727","10.1021/jacs.6b11362","","","0.71073","MoKα","","0.0553","0.0418","","","0.108","0.1184","","","","","","0.956","","","","has coordinates","193171","2020-10-21","18:00:00",""
"4125817","7.269","0.0005","23.218","0.0018","9.897","0.0008","90","","97.038","0.007","90","","1657.7","0.2","293","2","293","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C18 H13 B F2 N2 O2 -","- C18 H13 B F2 N2 O2 -","- C72 H52 B4 F8 N8 O8 -","4","1","","Georgiou, Irene; Kervyn, Simon; Rossignon, Alexandre; De Leo, Federica; Wouters, Johan; Bruylants, Gilles; Bonifazi, Davide","Versatile Self-Adapting Boronic Acids for H-Bond Recognition: From Discrete to Polymeric Supramolecules.","Journal of the American Chemical Society","2017","139","7","2710","2727","10.1021/jacs.6b11362","","x-ray","1.54184","CuKα","","0.0814","0.0545","","","0.1368","0.1514","","","","","","1.047","","","","has coordinates","193172","2020-10-21","18:00:00",""
"4125818","7.4105","0.0009","20.0298","0.0015","9.3908","0.0012","90","","109.863","0.014","90","","1311","0.3","293","2","293","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C28 H26 B2 N4 O6 -","- C28 H26 B2 N4 O6 -","- C56 H52 B4 N8 O12 -","2","0.5","","Georgiou, Irene; Kervyn, Simon; Rossignon, Alexandre; De Leo, Federica; Wouters, Johan; Bruylants, Gilles; Bonifazi, Davide","Versatile Self-Adapting Boronic Acids for H-Bond Recognition: From Discrete to Polymeric Supramolecules.","Journal of the American Chemical Society","2017","139","7","2710","2727","10.1021/jacs.6b11362","","","0.71073","MoKα","","0.102","0.0618","","","0.1184","0.1362","","","","","","1.084","","","","has coordinates","193173","2020-10-21","18:00:00",""
"4125819","7.4225","0.0015","23.717","0.005","11.927","0.002","90","","107.92","0.02","90","","1997.8","0.7","293","2","293","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C20 H13 B F6 N2 O2 -","- C20 H13 B F6 N2 O2 -","- C80 H52 B4 F24 N8 O8 -","4","1","","Georgiou, Irene; Kervyn, Simon; Rossignon, Alexandre; De Leo, Federica; Wouters, Johan; Bruylants, Gilles; Bonifazi, Davide","Versatile Self-Adapting Boronic Acids for H-Bond Recognition: From Discrete to Polymeric Supramolecules.","Journal of the American Chemical Society","2017","139","7","2710","2727","10.1021/jacs.6b11362","","","0.71073","MoKα","","0.1101","0.0619","","","0.1601","0.2076","","","","","","1.039","","","","has coordinates","193174","2020-10-21","18:00:00",""
"4125820","12.676","0.002","11.7614","0.0019","9.4574","0.0014","90","","97.256","0.015","90","","1398.7","0.4","293","2","293","2","","","","","","","","6","C 1 2/m 1","-C 2y","12","","","","- C14 H12 B Cl N2 O2 -","- C14 H12 B Cl N2 O2 -","- C56 H48 B4 Cl4 N8 O8 -","4","0.5","","Georgiou, Irene; Kervyn, Simon; Rossignon, Alexandre; De Leo, Federica; Wouters, Johan; Bruylants, Gilles; Bonifazi, Davide","Versatile Self-Adapting Boronic Acids for H-Bond Recognition: From Discrete to Polymeric Supramolecules.","Journal of the American Chemical Society","2017","139","7","2710","2727","10.1021/jacs.6b11362","","","0.71073","MoKα","","0.0567","0.0424","","","0.1085","0.1169","","","","","","1.062","","","","has coordinates","193175","2020-10-21","18:00:00",""
"4125821","12.6482","0.0013","11.8379","0.0011","9.6038","0.0008","90","","97.379","0.009","90","","1426.1","0.2","293","2","293","2","","","","","","","","6","C 1 2/m 1","-C 2y","12","","","","- C14 H12 B Br N2 O2 -","- C14 H12 B Br N2 O2 -","- C56 H48 B4 Br4 N8 O8 -","4","0.5","","Georgiou, Irene; Kervyn, Simon; Rossignon, Alexandre; De Leo, Federica; Wouters, Johan; Bruylants, Gilles; Bonifazi, Davide","Versatile Self-Adapting Boronic Acids for H-Bond Recognition: From Discrete to Polymeric Supramolecules.","Journal of the American Chemical Society","2017","139","7","2710","2727","10.1021/jacs.6b11362","","","0.71073","MoKα","","0.0749","0.0438","","","0.0966","0.1114","","","","","","1.024","","","","has coordinates","193176","2020-10-21","18:00:00",""
"4125822","7.9753","0.0009","10.291","0.002","10.73","0.003","109.53","0.02","105.321","0.017","104.113","0.013","745.1","0.3","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C32 H34 B2 N4 O4 -","- C32 H34 B2 N4 O4 -","- C32 H34 B2 N4 O4 -","1","0.5","","Georgiou, Irene; Kervyn, Simon; Rossignon, Alexandre; De Leo, Federica; Wouters, Johan; Bruylants, Gilles; Bonifazi, Davide","Versatile Self-Adapting Boronic Acids for H-Bond Recognition: From Discrete to Polymeric Supramolecules.","Journal of the American Chemical Society","2017","139","7","2710","2727","10.1021/jacs.6b11362","","","0.71073","MoKα","","0.0604","0.0485","","","0.1233","0.1318","","","","","","1.047","","","","has coordinates","193177","2020-10-21","18:00:00",""
"4125823","11.6218","0.001","11.2692","0.0009","13.6669","0.001","90","","100.367","0.008","90","","1760.7","0.2","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C18 H21 B N2 O2 -","- C18 H21 B N2 O2 -","- C72 H84 B4 N8 O8 -","4","1","","Georgiou, Irene; Kervyn, Simon; Rossignon, Alexandre; De Leo, Federica; Wouters, Johan; Bruylants, Gilles; Bonifazi, Davide","Versatile Self-Adapting Boronic Acids for H-Bond Recognition: From Discrete to Polymeric Supramolecules.","Journal of the American Chemical Society","2017","139","7","2710","2727","10.1021/jacs.6b11362","","","0.71073","MoKα","","0.1067","0.0883","","","0.2279","0.2565","","","","","","1.028","","","","has coordinates,has disorder","193178","2020-10-21","18:00:00",""
"4125824","16.2149","0.0005","19.0932","0.0006","11.5026","0.0003","90","","106.996","0.001","90","","3405.61","0.18","100","2","100","2","","","","","","","","6","P 1 c 1","P -2yc","7","","","","- C30 H55 Co N O4 P2 -","- C30 H55 Co N O4 P2 -","- C120 H220 Co4 N4 O16 P8 -","4","2","","Obligacion, Jennifer V.; Bezdek, Máté J; Chirik, Paul J.","C(sp(2))-H Borylation of Fluorinated Arenes Using an Air-Stable Cobalt Precatalyst: Electronically Enhanced Site Selectivity Enables Synthetic Opportunities.","Journal of the American Chemical Society","2017","139","7","2825","2832","10.1021/jacs.6b13346","","","1.54178","CuKα","","0.0398","0.0388","","","0.1027","0.1035","","","","","","1.209","","","","has coordinates","193180","2020-10-21","18:00:00",""
"4125825","10.6185","0.0002","13.687","0.0003","7.4015","0.0002","90","","108.19","0.001","90","","1021.94","0.04","100","2","100","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C8 H7 F3 Fe0.5 N0.5 O3 S -","- C8 H7 F3 Fe0.5 N0.5 O3 S -","- C32 H28 F12 Fe2 N2 O12 S4 -","4","1","","Mews, Nicole M.; Berkefeld, Andreas; Hörner, Gerald; Schubert, Hartmut","Controlling Near-Infrared Chromophore Electronic Properties through Metal-Ligand Orbital Alignment.","Journal of the American Chemical Society","2017","139","7","2808","2815","10.1021/jacs.6b13085","","","0.71073","MoKα","","0.028","0.0276","","","0.064","0.0642","","","","","","1.253","","","","has coordinates,has disorder","193181","2020-10-21","18:00:00",""
"4125826","9.4324","0.0004","34.7348","0.0014","17.2141","0.0007","90","","91.997","0.001","90","","5636.5","0.4","100","2","100","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C76 H79 P Pt S2 -","- C62 H63 P Pt S2 -","- C248 H252 P4 Pt4 S8 -","4","1","","Mews, Nicole M.; Berkefeld, Andreas; Hörner, Gerald; Schubert, Hartmut","Controlling Near-Infrared Chromophore Electronic Properties through Metal-Ligand Orbital Alignment.","Journal of the American Chemical Society","2017","139","7","2808","2815","10.1021/jacs.6b13085","","","0.71073","MoKα","","0.0562","0.0416","","","0.0754","0.0803","","","","","","1.136","","","","has coordinates","193182","2020-10-21","18:00:00",""
"4125827","10.385","0.003","19.96","0.005","10.896","0.003","90","","90.114","0.006","90","","2258.6","1.1","93.15","","93","2","","","","","","","","3","P 1 n 1","P -2yac","7","","","","- C28 H28 B2 -","- C28 H28 B2 -","- C112 H112 B8 -","4","2","","Tsukahara, Nana; Asakawa, Hiroki; Lee, Ka-Ho; Lin, Zhenyang; Yamashita, Makoto","Cleaving Dihydrogen with Tetra(o-tolyl)diborane(4).","Journal of the American Chemical Society","2017","139","7","2593","2596","10.1021/jacs.7b00924","","","0.71075","MoKα","","0.132","0.0831","","","0.1813","0.2136","","","","","","1.012","","","","has coordinates","193183","2020-10-21","18:00:00",""
"4125828","40.6","0.02","6.991","0.002","17.968","0.007","90","","115.905","0.004","90","","4587","3","93","2","93","2","","","","","","","","3","C 1 2/c 1","-C 2yc","15","","","","- C28 H30 B2 -","- C28 H30 B2 -","- C224 H240 B16 -","8","1","","Tsukahara, Nana; Asakawa, Hiroki; Lee, Ka-Ho; Lin, Zhenyang; Yamashita, Makoto","Cleaving Dihydrogen with Tetra(o-tolyl)diborane(4).","Journal of the American Chemical Society","2017","139","7","2593","2596","10.1021/jacs.7b00924","","","0.71075","MoKα","","0.1039","0.0933","","","0.2519","0.2648","","","","","","1.079","","","","has coordinates","193183","2020-10-21","18:00:00",""
"4125829","15.4038","0.0012","12.2332","0.0008","17.2715","0.0013","90","","98.024","0.007","90","","3222.7","0.4","93","2","93","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C19 H20 B N -","- C19 H20 B N -","- C152 H160 B8 N8 -","8","2","","Tsukahara, Nana; Asakawa, Hiroki; Lee, Ka-Ho; Lin, Zhenyang; Yamashita, Makoto","Cleaving Dihydrogen with Tetra(o-tolyl)diborane(4).","Journal of the American Chemical Society","2017","139","7","2593","2596","10.1021/jacs.7b00924","","","0.71073","MoKα","","0.1455","0.0701","","","0.1541","0.2076","","","","","","1.048","","","","has coordinates","193183","2020-10-21","18:00:00",""
"4125830","24.412","0.006","24.412","","24.412","","90","","90","","90","","14548","4","110","2","110","2","","","","","","","","3","P -4 3 m","P -4 2 3","215","","","","- Cd54 O4 Se80 -","- Cd54 O4 Se80 -","- Cd54 O4 Se80 -","1","0.0416667","","Levchenko, Tetyana I.; Kübel, Christian; Khalili Najafabadi, Bahareh; Boyle, Paul D.; Cadogan, Carolyn; Goncharova, Lyudmila V.; Garreau, Alexandre; Lagugné-Labarthet, François; Huang, Yining; Corrigan, John F.","Luminescent CdSe Superstructures: A Nanocluster Superlattice and a Nanoporous Crystal.","Journal of the American Chemical Society","2017","139","3","1129","1144","10.1021/jacs.6b10490","","","0.71073","MoKα","","0.1717","0.1109","","","0.2345","0.2694","","","","","","7.278","","","","has coordinates","193184","2020-10-21","18:00:00",""
"4125831","26.6098","0.0009","7.296","0.0002","28.9626","0.0009","90","","110.651","0.003","90","","5261.6","0.3","100","2","100","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","1.(Et,H2O)","","","- C24 H16 Fe N12 O2 Pd -","- C24 H16 Fe N12 O2 Pd -","- C192 H128 Fe8 N96 O16 Pd8 -","8","1","","Murphy, Michael J.; Zenere, Katrina A.; Ragon, Florence; Southon, Peter D.; Kepert, Cameron J.; Neville, Suzanne M.","Guest Programmable Multistep Spin Crossover in a Porous 2-D Hofmann-Type Material.","Journal of the American Chemical Society","2017","139","3","1330","1335","10.1021/jacs.6b12465","","","0.71073","MoKα","","0.1231","0.091","","","0.2158","0.2403","","","","","","1.062","","","","has coordinates,has disorder","193185","2020-10-21","18:00:00",""
"4125832","26.4752","0.0002","7.4361","0.0003","29.3821","0.0003","90","","109.99","0.001","90","","5436","0.2","200","2","200","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","1.3(H2O)","","","- C22 H16 Fe N12 O3 Pd -","- C22 H16 Fe N12 O3 Pd -","- C176 H128 Fe8 N96 O24 Pd8 -","8","1","","Murphy, Michael J.; Zenere, Katrina A.; Ragon, Florence; Southon, Peter D.; Kepert, Cameron J.; Neville, Suzanne M.","Guest Programmable Multistep Spin Crossover in a Porous 2-D Hofmann-Type Material.","Journal of the American Chemical Society","2017","139","3","1330","1335","10.1021/jacs.6b12465","","","1.54184","CuKα","","0.0561","0.0491","","","0.1435","0.1495","","","","","","1.085","","","","has coordinates","193186","2020-10-21","18:00:00",""
"4125833","10.532","0.002","20.908","0.004","12.844","0.003","90","","102.278","0.004","90","","2763.6","1","100","0.2","100","0.2","","","","","","","","9","P 1 21 1","P 2yb","4","","","","- C56 H56 Cl4 Cu F3 N4 O3 Pd S -","- C56 H56 Cl4 Cu F3 N4 O3 Pd S -","- C112 H112 Cl8 Cu2 F6 N8 O6 Pd2 S2 -","2","1","","Oeschger, Raphael J.; Chen, Peter","Structure and Gas-Phase Thermochemistry of a Pd/Cu Complex: Studies on a Model for Transmetalation Transition States.","Journal of the American Chemical Society","2017","139","3","1069","1072","10.1021/jacs.6b12152","","x-ray","0.71073","MoKα","","0.0508","0.0383","","","0.0777","0.083","","","","","","1.037","","","","has coordinates,has disorder","193187","2020-10-21","18:00:00",""
"4125834","14.6614","0.0002","6.76028","0.0001","17.1457","0.0002","90","","92.7294","0.0012","90","","1697.47","0.04","173","2","173","","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C21 H13 B F2 N4 -","- C21 H13 B F2 N4 -","- C84 H52 B4 F8 N16 -","4","1","","Qian, Hai; Wang, Yu-Ying; Guo, Dong-Sheng; Aprahamian, Ivan","Controlling the Isomerization Rate of an Azo-BF2 Switch Using Aggregation.","Journal of the American Chemical Society","2017","139","3","1037","1040","10.1021/jacs.6b10982","","","1.54178","CuKα","","0.0779","0.0474","","","0.1177","0.1342","","","","","","1.027","","","","has coordinates","193188","2020-10-21","18:00:00",""
"4125835","30.9319","0.0018","18.2206","0.001","19.219","0.0011","90","","127.608","0.001","90","","8581","0.9","100","2","100","2","","","","","","","","7","C 1 2/c 1","-C 2yc","15","","","","- C46 H37 Cl4 Cu F6 N2 S2 -","- C46 H37 Cl4 Cu F6.003 N2 S2 -","- C368 H296 Cl32 Cu8 F48.024 N16 S16 -","8","1","","Kundu, Subrata; Kim, William Y.; Bertke, Jeffery A.; Warren, Timothy H.","Copper(II) Activation of Nitrite: Nitrosation of Nucleophiles and Generation of NO by Thiols.","Journal of the American Chemical Society","2017","139","3","1045","1048","10.1021/jacs.6b11332","","","0.71073","MoKα","","0.0833","0.0544","","","0.116","0.1268","","","","","","1.047","","","","has coordinates,has disorder","193189","2020-10-21","18:00:00",""
"4125836","12.5124","0.0008","9.5784","0.0006","18.2174","0.0012","90","","94.815","0.002","90","","2175.6","0.2","100","2","100","2","","","","","","","","7","C 1 2/c 1","-C 2yc","15","","","","- C17 H7 Cl4 Cu F6 N3 O2 -","- C17 H7 Cl4 Cu F6 N3 O2 -","- C68 H28 Cl16 Cu4 F24 N12 O8 -","4","0.5","","Kundu, Subrata; Kim, William Y.; Bertke, Jeffery A.; Warren, Timothy H.","Copper(II) Activation of Nitrite: Nitrosation of Nucleophiles and Generation of NO by Thiols.","Journal of the American Chemical Society","2017","139","3","1045","1048","10.1021/jacs.6b11332","","","0.71073","MoKα","","0.0315","0.0271","","","0.0649","0.0667","","","","","","1.051","","","","has coordinates","193190","2020-10-21","18:00:00",""
"4125837","12.4145","0.0003","17.6411","0.0004","18.8543","0.0005","90","","98.815","0.002","90","","4080.42","0.17","100","2","100","2","","","","","","","","7","C 1 2/c 1","-C 2yc","15","","","","- C34 H16 Cl8 Cu2 F12 N4 O2 -","- C34 H16 Cl8 Cu2 F12 N4 O2 -","- C136 H64 Cl32 Cu8 F48 N16 O8 -","4","0.5","","Kundu, Subrata; Kim, William Y.; Bertke, Jeffery A.; Warren, Timothy H.","Copper(II) Activation of Nitrite: Nitrosation of Nucleophiles and Generation of NO by Thiols.","Journal of the American Chemical Society","2017","139","3","1045","1048","10.1021/jacs.6b11332","","","0.71073","MoKα","","0.04","0.0281","","","0.0658","0.0692","","","","","","1.048","","","","has coordinates","193191","2020-10-21","18:00:00",""
"4125838","8.0134","0.0005","11.9127","0.0007","13.9735","0.0008","102.98","0.001","91.754","0.001","101.233","0.001","1271.08","0.13","100","2","100","2","","","","","","","","7","P -1","-P 1","2","","","","- C21 H15 Cl4 Cu F6 N3 O3 -","- C21 H15 Cl4 Cu F6 N3 O3 -","- C42 H30 Cl8 Cu2 F12 N6 O6 -","2","1","","Kundu, Subrata; Kim, William Y.; Bertke, Jeffery A.; Warren, Timothy H.","Copper(II) Activation of Nitrite: Nitrosation of Nucleophiles and Generation of NO by Thiols.","Journal of the American Chemical Society","2017","139","3","1045","1048","10.1021/jacs.6b11332","","","0.71073","MoKα","","0.0256","0.0235","","","0.0589","0.0599","","","","","","1.052","","","","has coordinates","193192","2020-10-21","18:00:00",""
"4125839","16.5654","0.0009","23.626","0.002","30.091","0.002","90","","103.843","0.003","90","","11434.8","1.4","100","1","100.15","","","","","","","","","6","P 1 21/m 1","-P 2yb","11","","","","- C180 H150 Ag23 Cl7 P10 Pt2 -","- C180 H150 Ag23 Cl7 P10 Pt2 -","- C360 H300 Ag46 Cl14 P20 Pt4 -","2","0.5","","Bootharaju, Megalamane S.; Kozlov, Sergey M.; Cao, Zhen; Harb, Moussab; Maity, Niladri; Shkurenko, Aleksander; Parida, Manas R.; Hedhili, Mohamed N.; Eddaoudi, Mohamed; Mohammed, Omar F.; Bakr, Osman M.; Cavallo, Luigi; Basset, Jean-Marie","Doping-Induced Anisotropic Self-Assembly of Silver Icosahedra in [Pt2Ag23Cl7(PPh3)10] Nanoclusters.","Journal of the American Chemical Society","2017","139","3","1053","1056","10.1021/jacs.6b11875","","","1.54178","CuKα","","0.2247","0.1646","","","0.444","0.4827","","","","","","2.015","","","","has coordinates,has disorder","193193","2020-10-21","18:00:00",""
"4125840","8.2737","0.0005","14.9975","0.0009","48.44","0.003","90","","91.96","0.004","90","","6007.2","0.6","100","2","100","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","HV-04-024","sarpong125","","- C33 H38 N4 O Si -","- C33 H38 N4 O Si -","- C264 H304 N32 O8 Si8 -","8","2","","Viart, Hélène M-F; Bachmann, Andreas; Kayitare, William; Sarpong, Richmond","β-Carboline Amides as Intrinsic Directing Groups for C(sp(2))-H Functionalization.","Journal of the American Chemical Society","2017","139","3","1325","1329","10.1021/jacs.6b12569","","","1.54178","CuKα","","0.1543","0.1289","","","0.2818","0.2911","","","","","","1.189","","","","has coordinates,has disorder","204147","2020-10-21","18:00:00",""
"4125841","18.7157","0.0012","14.5858","0.0009","19.373","0.0011","90","","98.405","0.004","90","","5231.7","0.6","100","2","100","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","HV-05-033","sarpong136","","- C33.5 H29 N3 O -","- C33.5 H29 N3 O -","- C268 H232 N24 O8 -","8","2","","Viart, Hélène M-F; Bachmann, Andreas; Kayitare, William; Sarpong, Richmond","β-Carboline Amides as Intrinsic Directing Groups for C(sp(2))-H Functionalization.","Journal of the American Chemical Society","2017","139","3","1325","1329","10.1021/jacs.6b12569","","","1.54178","CuKα","","0.0736","0.0558","","","0.1527","0.1674","","","","","","1.043","","","","has coordinates","254431","2020-10-21","18:00:00",""
"4125842","9.2667","0.0006","10.0686","0.0005","10.9395","0.0007","90","","111.348","0.007","90","","950.65","0.11","173","2","173","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C9 H9 N5 -","- C9 H9 N5 -","- C36 H36 N20 -","4","1","","Calbo, Joaquín; Weston, Claire E.; White, Andrew J. P.; Rzepa, Henry S.; Contreras-García, Julia; Fuchter, Matthew J.","Tuning Azoheteroarene Photoswitch Performance through Heteroaryl Design.","Journal of the American Chemical Society","2017","139","3","1261","1274","10.1021/jacs.6b11626","","","0.71073","MoKα","","0.0559","0.0393","","","0.0932","0.1033","","","","","","1.034","","","","has coordinates","193196","2020-10-21","18:00:00",""
"4125843","10.1175","0.0002","11.0673","0.0003","16.8859","0.0004","90","","90","","90","","1890.77","0.08","173","2","173","2","","","","","","","","3","P b c a","-P 2ac 2ab","61","","","","- C10 H10 N4 -","- C10 H10 N4 -","- C80 H80 N32 -","8","1","","Calbo, Joaquín; Weston, Claire E.; White, Andrew J. P.; Rzepa, Henry S.; Contreras-García, Julia; Fuchter, Matthew J.","Tuning Azoheteroarene Photoswitch Performance through Heteroaryl Design.","Journal of the American Chemical Society","2017","139","3","1261","1274","10.1021/jacs.6b11626","","","1.54184","CuKα","","0.045","0.0389","","","0.098","0.103","","","","","","1.071","","","","has coordinates","193196","2020-10-21","18:00:00",""
"4125844","8.012","0.0005","11.491","0.0006","7.7899","0.0005","90","","113.418","0.008","90","","658.11","0.08","173","2","173","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C5 H7 N3 O2 -","- C5 H7 N3 O2 -","- C20 H28 N12 O8 -","4","1","","Calbo, Joaquín; Weston, Claire E.; White, Andrew J. P.; Rzepa, Henry S.; Contreras-García, Julia; Fuchter, Matthew J.","Tuning Azoheteroarene Photoswitch Performance through Heteroaryl Design.","Journal of the American Chemical Society","2017","139","3","1261","1274","10.1021/jacs.6b11626","","","0.71073","MoKα","","0.0479","0.0415","","","0.1114","0.1173","","","","","","1.106","","","","has coordinates","193196","2020-10-21","18:00:00",""
"4125845","8.8437","0.0002","8.8437","0.0002","3.9254","0.0001","90","","90","","120","","265.878","0.011","296","2","296","2","","","","","","","","5","P -6 2 m","P -6 -2","189","","","","- C F K Mg O3 -","- C F K Mg O3 -","- C3 F3 K3 Mg3 O9 -","3","0.25","","Tran, T. Thao; Young, Joshua; Rondinelli, James M.; Halasyamani, P. Shiv","Mixed-Metal Carbonate Fluorides as Deep-Ultraviolet Nonlinear Optical Materials.","Journal of the American Chemical Society","2017","139","3","1285","1295","10.1021/jacs.6b11965","","","0.71073","MoKα","","0.0492","0.0492","","","0.1165","0.1165","","","","","","1.157","","","","has coordinates,has disorder","193197","2020-10-21","18:00:00",""
"4125846","13.2888","0.0017","6.8258","0.0009","18.824","0.002","90","","90","","90","","1707.5","0.4","296","2","296","2","","","","","","","","5","P m n 21","P 2ac -2","31","","","","- C8 Cs9 F5 Mg6 O24 -","- C8 Cs9 F5 Mg6 O24 -","- C16 Cs18 F10 Mg12 O48 -","2","0.5","","Tran, T. Thao; Young, Joshua; Rondinelli, James M.; Halasyamani, P. Shiv","Mixed-Metal Carbonate Fluorides as Deep-Ultraviolet Nonlinear Optical Materials.","Journal of the American Chemical Society","2017","139","3","1285","1295","10.1021/jacs.6b11965","","","0.71073","MoKα","","0.0202","0.0195","","","0.0476","0.048","","","","","","1.075","","","","has coordinates","193197","2020-10-21","18:00:00",""
"4125847","11.7733","0.0006","10.6772","0.0006","30.5233","0.0016","90","","96.563","0.001","90","","3811.8","0.4","140","1","140","1","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C18 H30 Cl Ir N2 O S -","- C18 H30 Cl Ir N2 O S -","- C144 H240 Cl8 Ir8 N16 O8 S8 -","8","2","","Dub, Pavel A.; Scott, Brian L.; Gordon, John C.","Why Does Alkylation of the N-H Functionality within M/NH Bifunctional Noyori-Type Catalysts Lead to Turnover?","Journal of the American Chemical Society","2017","139","3","1245","1260","10.1021/jacs.6b11666","","","0.71073","MoKα","","0.0302","0.0243","","","0.058","0.0605","","","","","","1.182","","","","has coordinates","193198","2020-10-21","18:00:00",""
"4125848","10.3404","0.0009","15.103","0.0013","11.7278","0.001","90","","99.003","0.001","90","","1809","0.3","100","1","100","1","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C17 H28 Cl Ir N2 O S -","- C17 H28 Cl Ir N2 O S -","- C68 H112 Cl4 Ir4 N8 O4 S4 -","4","1","","Dub, Pavel A.; Scott, Brian L.; Gordon, John C.","Why Does Alkylation of the N-H Functionality within M/NH Bifunctional Noyori-Type Catalysts Lead to Turnover?","Journal of the American Chemical Society","2017","139","3","1245","1260","10.1021/jacs.6b11666","","","0.71073","MoKα","","0.03","0.0247","","","0.0741","0.0845","","","","","","1.446","","","","has coordinates","193199","2020-10-21","18:00:00",""
"4125849","65.243","0.01","65.243","0.01","10.2551","0.0017","90","","90","","120","","37804","10","100","2","100","2","","","","","","","","5","R -3 :H","-R 3","148","","","","- C306 H144 Mg6 O72 S36 -","- C306 H144 Mg6 O72 S36 -","- C918 H432 Mg18 O216 S108 -","3","0.166667","","Park, Sarah S.; Hendon, Christopher H.; Fielding, Alistair J.; Walsh, Aron; O'Keeffe, Michael; Dincă, Mircea","The Organic Secondary Building Unit: Strong Intermolecular π Interactions Define Topology in MIT-25, a Mesoporous MOF with Proton-Replete Channels.","Journal of the American Chemical Society","2017","139","10","3619","3622","10.1021/jacs.6b13176","","","0.71073","MoKα","","0.1062","0.0904","","","0.2428","0.2519","","","","","","1.132","","","","has coordinates,has disorder","194829","2020-10-21","18:00:00",""
"4125850","16.436","0.002","17.359","0.002","18.633","0.002","80.501","0.006","70.268","0.005","63.067","0.005","4460.8","0.9","100","","100.01","","","","","","","","","5","P -1","-P 1","2","","","","- C92 H84 F24 N12 P4 -","- C92 H84 F24 N12 P4 -","- C184 H168 F48 N24 P8 -","2","1","","Lipke, Mark C.; Cheng, Tao; Wu, Yilei; Arslan, Hasan; Xiao, Hai; Wasielewski, Michael R.; Goddard, William A.; Stoddart, J. Fraser","Size-Matched Radical Multivalency.","Journal of the American Chemical Society","2017","","","","","10.1021/jacs.6b09892","","","1.54178","CuKα","","0.0673","0.0615","","","0.172","0.1807","","","","","","1.022","","","","has coordinates,has disorder","194099","2020-10-21","18:00:00",""
"4125851","25.6496","0.0009","8.7129","0.0003","20.6646","0.0012","90","","126.924","0.0013","90","","3691.9","0.3","100","2","99.99","","","","","","","","","5","C 1 2/m 1","-C 2y","12","","","","- C36 H32 F12 N4 P2 -","- C36 H32 F12 N4 P2 -","- C144 H128 F48 N16 P8 -","4","0.5","","Lipke, Mark C.; Cheng, Tao; Wu, Yilei; Arslan, Hasan; Xiao, Hai; Wasielewski, Michael R.; Goddard, William A.; Stoddart, J. Fraser","Size-Matched Radical Multivalency.","Journal of the American Chemical Society","2017","","","","","10.1021/jacs.6b09892","","","1.54178","CuKα","","0.0543","0.0475","","","0.1303","0.1355","","","","","","1.08","","","","has coordinates","194100","2020-10-21","18:00:00",""
"4125852","18.9571","0.001","11.286","0.0006","13.8878","0.0008","90","","90","","90","","2971.3","0.3","100","","100","","","","","","","","","6","P 21 21 2","P 2 2ab","18","","","","- C60 H68 F12 N4 O2 P2 -","- C60 H68 F12 N4 O2 P2 -","- C120 H136 F24 N8 O4 P4 -","2","0.5","","Lipke, Mark C.; Cheng, Tao; Wu, Yilei; Arslan, Hasan; Xiao, Hai; Wasielewski, Michael R.; Goddard, William A.; Stoddart, J. Fraser","Size-Matched Radical Multivalency.","Journal of the American Chemical Society","2017","","","","","10.1021/jacs.6b09892","","","1.54178","CuKα","","0.0873","0.0842","","","0.2506","0.2538","","","","","","1.099","","","","has coordinates","194101","2020-10-21","18:00:00",""
"4125853","6.7999","0.0018","6.7999","0.0018","6.7999","0.0018","90","","90","","90","","314.42","0.14","453","2","453","2","","","","","","","","5","P m -3 m","-P 4 2 3","221","","","","- C4 H9 Br3 N2 Rb -","- Br3 N6 Rb -","- Br3 N6 Rb -","1","0.0208333","","Pan, Qiang; Liu, Zhi-Bo; Tang, Yuan-Yuan; Li, Peng-Fei; Ma, Rong-Wei; Wei, Ru-Yuan; Zhang, Yi; You, Yu-Meng; Ye, Heng-Yun; Xiong, Ren-Gen","A Three-Dimensional Molecular Perovskite Ferroelectric: (3-Ammoniopyrrolidinium)RbBr3.","Journal of the American Chemical Society","2017","","","","","10.1021/jacs.7b00492","","","0.71073","MoKα","","0.0935","0.0827","","","0.1899","0.1967","","","","","","1.279","","","","has coordinates","194102","2020-10-21","18:00:00",""
"4125854","12.3565","0.0009","15.4538","0.001","17.0147","0.0012","83.811","0.006","75.257","0.006","80.638","0.006","3092.7","0.4","294.63","0.1","294.63","0.1","","","","","","","","3","P -1","-P 1","2","","","","- C27 H36 O8 -","- C27 H36 O8 -","- C108 H144 O32 -","4","2","","Wang, Fang-Xin; Du, Ji-Yuan; Wang, Hui-Bin; Zhang, Peng-Lin; Zhang, Guo-Biao; Yu, Ke-Yin; Zhang, Xiang-Zhi; An, Xian-Tao; Cao, Ye-Xing; Fan, Chun-An","Total Synthesis of Lycopodium Alkaloids Palhinine A and Palhinine D.","Journal of the American Chemical Society","2017","139","12","4282","4285","10.1021/jacs.6b13401","","","0.71","MoKα","","0.1275","0.0811","","","0.2339","0.2564","","","","","","1.186","","","","has coordinates,has disorder","194847","2020-10-21","18:00:00",""
"4125855","8.3782","0.0007","22.5803","0.0016","8.7664","0.0007","90","","111.944","0.009","90","","1538.3","0.2","297.72","0.16","297.72","0.16","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C18 H25 N O4 -","- C18 H25 N O4 -","- C72 H100 N4 O16 -","4","1","","Wang, Fang-Xin; Du, Ji-Yuan; Wang, Hui-Bin; Zhang, Peng-Lin; Zhang, Guo-Biao; Yu, Ke-Yin; Zhang, Xiang-Zhi; An, Xian-Tao; Cao, Ye-Xing; Fan, Chun-An","Total Synthesis of Lycopodium Alkaloids Palhinine A and Palhinine D.","Journal of the American Chemical Society","2017","139","12","4282","4285","10.1021/jacs.6b13401","","x-ray","0.71073","MoKα","","0.1099","0.0598","","","0.1201","0.1523","","","","","","1.026","","","","has coordinates","194847","2020-10-21","18:00:00",""
"4125856","18.3993","0.0006","7.78611","0.00018","20.8816","0.0006","90","","90.719","0.003","90","","2991.24","0.15","273.77","0.1","273.77","0.1","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C17 H25 N O3 -","- C17 H25 N O3 -","- C136 H200 N8 O24 -","8","2","","Wang, Fang-Xin; Du, Ji-Yuan; Wang, Hui-Bin; Zhang, Peng-Lin; Zhang, Guo-Biao; Yu, Ke-Yin; Zhang, Xiang-Zhi; An, Xian-Tao; Cao, Ye-Xing; Fan, Chun-An","Total Synthesis of Lycopodium Alkaloids Palhinine A and Palhinine D.","Journal of the American Chemical Society","2017","139","12","4282","4285","10.1021/jacs.6b13401","","x-ray","0.71073","MoKα","","0.0855","0.0555","","","0.1147","0.1333","","","","","","1.043","","","","has coordinates","194847","2020-10-21","18:00:00",""
"4125857","13.1333","0.0006","9.4398","0.0004","11.3277","0.0005","90","","101.923","0.002","90","","1374.06","0.11","100","","100","","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C19 H16 O2 -","- C19 H16 O2 -","- C76 H64 O8 -","4","1","","Lau, Vivian M.; Pfalzgraff, William C.; Markland, Thomas E.; Kanan, Matthew W.","Electrostatic Control of Regioselectivity in Au(I)-Catalyzed Hydroarylation.","Journal of the American Chemical Society","2017","139","11","4035","4041","10.1021/jacs.6b11971","","x-ray","0.71073","MoKα","","0.0709","0.0439","","","0.0971","0.1098","","","","","","1.041","","","","has coordinates","194843","2020-10-21","18:00:00",""
"4125858","6.8201","0.0005","10.8988","0.0007","12.5246","0.0008","68.965","0.004","79.16","0.004","81.812","0.004","850.57","0.1","200","2","200","2","","","","","","","","5","P -1","-P 1","2","","","","- C34 H30 F12 Ni2 P2 -","- C34 H30 F12 Ni2 P2 -","- C34 H30 F12 Ni2 P2 -","1","0.5","","Giffin, Kaitie A.; Pua, Lorraine A.; Piotrkowski, Sarah; Gabidullin, Bulat M.; Korobkov, Ilia; Hughes, Russell P.; Baker, R. Tom","Generation of Hydrofluoronickelacycles from Trifluoroethylene and Ni(0): Ligand Effects on Regio-/Stereoselectivity and Reactivity.","Journal of the American Chemical Society","2017","139","11","4075","4086","10.1021/jacs.6b12607","","","0.71073","MoKα","","0.1267","0.0527","","","0.0818","0.1017","","","","","","1","","","","has coordinates","194841","2020-10-21","18:00:00",""
"4125859","8.0635","0.0008","10.4307","0.001","11.0659","0.0011","99.725","0.004","98.579","0.004","107.584","0.003","854.41","0.15","200","2","200","2","","","","","","","","6","P -1","-P 1","2","","","","- C32 H28 F8 O6 P2 S2 -","- C32 H28 F8 O6 P2 S2 -","- C32 H28 F8 O6 P2 S2 -","1","0.5","","Giffin, Kaitie A.; Pua, Lorraine A.; Piotrkowski, Sarah; Gabidullin, Bulat M.; Korobkov, Ilia; Hughes, Russell P.; Baker, R. Tom","Generation of Hydrofluoronickelacycles from Trifluoroethylene and Ni(0): Ligand Effects on Regio-/Stereoselectivity and Reactivity.","Journal of the American Chemical Society","2017","139","11","4075","4086","10.1021/jacs.6b12607","","","0.71073","MoKα","","0.0868","0.0654","","","0.1721","0.1842","","","","","","1.098","","","","has coordinates","194841","2020-10-21","18:00:00",""
"4125860","12.7756","0.0004","13.0805","0.0004","18.7153","0.0005","93.233","0.002","90.756","0.002","94.444","0.002","3112.69","0.16","150","2","150","2","","","","","","","","7","P -1","-P 1","2","","","","- C72 H44 F6 N8 O7.5 S2 Zn -","- C72 H44 F6 N8 O7.5 S2 Zn -","- C144 H88 F12 N16 O15 S4 Zn2 -","2","1","","He, Yun-Jui; Tu, Tsung-Han; Su, Ming-Kun; Yang, Chia-Wei; Kong, Kien Voon; Chan, Yi-Tsu","Facile Construction of Metallo-supramolecular Poly(3-hexylthiophene)-block-Poly(ethylene oxide) Diblock Copolymers via Complementary Coordination and Their Self-Assembled Nanostructures.","Journal of the American Chemical Society","2017","139","11","4218","4224","10.1021/jacs.7b01010","","","0.71073","MoKα","","0.0855","0.0686","","","0.1816","0.196","","","","","","1.063","","","","has coordinates,has disorder","194842","2020-10-21","18:00:00",""
"4125861","10.9455","0.0009","28.393","0.002","11.0501","0.0009","90","","93.95","0.004","90","","3425.9","0.5","300","2","300","","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C32 H21 B2 F12 Fe N7 -","- C32 H21 B2 F12 Fe N7 -","- C128 H84 B8 F48 Fe4 N28 -","4","1","","Fatur, Steven M.; Shepard, Samuel G.; Higgins, Robert F.; Shores, Matthew P.; Damrauer, Niels H.","A Synthetically Tunable System To Control MLCT Excited-State Lifetimes and Spin States in Iron(II) Polypyridines.","Journal of the American Chemical Society","2017","139","12","4493","4505","10.1021/jacs.7b00700","","","0.71073","MoKα","","0.1014","0.0569","","","0.1297","0.1527","","","","","","1.037","","","","has coordinates,has disorder","194844","2020-10-21","18:00:00",""
"4125862","10.1127","0.0009","28.166","0.002","11.2884","0.001","90","","92.54","0.004","90","","3212.2","0.5","120","2","120.14","","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C32 H21 B2 F12 Fe N7 -","- C32 H21 B2 F12 Fe N7 -","- C128 H84 B8 F48 Fe4 N28 -","4","1","","Fatur, Steven M.; Shepard, Samuel G.; Higgins, Robert F.; Shores, Matthew P.; Damrauer, Niels H.","A Synthetically Tunable System To Control MLCT Excited-State Lifetimes and Spin States in Iron(II) Polypyridines.","Journal of the American Chemical Society","2017","139","12","4493","4505","10.1021/jacs.7b00700","","","0.71073","MoKα","","0.0813","0.0636","","","0.1674","0.1807","","","","","","1.045","","","","has coordinates","194844","2020-10-21","18:00:00",""
"4125863","21.1642","0.0012","16.9913","0.001","23.7983","0.0013","90","","112.85","0.0019","90","","7886.4","0.8","100","2","99.96","","","","","","","","","8","P 1 21/n 1","-P 2yn","14","","","","- C34 H28 B2 Br4 F8 Fe N6 O -","- C34 H28 B2 Br4 F8 Fe N6 O -","- C272 H224 B16 Br32 F64 Fe8 N48 O8 -","8","2","","Fatur, Steven M.; Shepard, Samuel G.; Higgins, Robert F.; Shores, Matthew P.; Damrauer, Niels H.","A Synthetically Tunable System To Control MLCT Excited-State Lifetimes and Spin States in Iron(II) Polypyridines.","Journal of the American Chemical Society","2017","139","12","4493","4505","10.1021/jacs.7b00700","","","0.71073","MoKα","","0.0659","0.057","","","0.1422","0.1454","","","","","","1.171","","","","has coordinates,has disorder","194844","2020-10-21","18:00:00",""
"4125864","17.1024","0.001","20.8582","0.0012","23.0504","0.0013","90","","102.493","0.002","90","","8028","0.8","120","2","120.06","","","","","","","","","7","C 1 2 1","C 2y","5","","","","- C37 H23 B2 Cl4 F8 Fe N7 -","- C37 H23 B2 Cl4 F8 Fe N7 -","- C296 H184 B16 Cl32 F64 Fe8 N56 -","8","2","","Fatur, Steven M.; Shepard, Samuel G.; Higgins, Robert F.; Shores, Matthew P.; Damrauer, Niels H.","A Synthetically Tunable System To Control MLCT Excited-State Lifetimes and Spin States in Iron(II) Polypyridines.","Journal of the American Chemical Society","2017","139","12","4493","4505","10.1021/jacs.7b00700","","","0.71073","MoKα","","0.0534","0.038","","","0.0782","0.0842","","","","","","1.022","","","","has coordinates","194844","2020-10-21","18:00:00",""
"4125865","12.7241","0.0007","13.8775","0.0008","9.4376","0.0006","90","","105.076","0.006","90","","1609.12","0.17","100","2","100","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C10 H20 N2 O S4 V -","- C10 H20 N2 O S4 V -","- C40 H80 N8 O4 S16 V4 -","4","1","","Atzori, Matteo; Tesi, Lorenzo; Benci, Stefano; Lunghi, Alessandro; Righini, Roberto; Taschin, Andrea; Torre, Renato; Sorace, Lorenzo; Sessoli, Roberta","Spin Dynamics and Low Energy Vibrations: Insights from Vanadyl-Based Potential Molecular Qubits.","Journal of the American Chemical Society","2017","139","12","4338","4341","10.1021/jacs.7b01266","","","1.54184","CuKα","","0.0867","0.0742","","","0.1946","0.2191","","","","","","1.048","","","","has coordinates","194845","2020-10-21","18:00:00",""
"4125868","8.4867","0.0006","42.907","0.003","8.6105","0.0006","90","","118.846","0.001","90","","2746.4","0.3","100","2","100","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C25 H41 I N2 O4 -","- C25 H41 I N2 O4 -","- C100 H164 I4 N8 O16 -","4","2","","Muñiz, Kilian; Barreiro, Laura; Romero, R Martín; Martínez, Claudio","Catalytic Asymmetric Diamination of Styrenes.","Journal of the American Chemical Society","2017","139","12","4354","4357","10.1021/jacs.7b01443","","","0.71073","MoKα","","0.0532","0.0517","","","0.1218","0.1244","","","","","","1.142","","","","has coordinates","194846","2020-10-21","18:00:00",""
"4125869","10.1539","0.001","11.2274","0.0011","13.3373","0.0013","76.2764","0.0013","83.2527","0.0013","69.4931","0.0013","1382.5","0.2","150","2","150","2","","","","","","","","5","P -1","-P 1","2","(ONO^Cat^)ReO(μ-O)2ReO(ONO^Cat^)","Di-μ-oxo-bis(bis(3,5-di-tert-butyl-2-phenoxo)amido)- dioxodirhenium(VII)","","- C56 H80 N2 O8 Re2 -","- C56 H80 N2 O8 Re2 -","- C56 H80 N2 O8 Re2 -","1","0.5","","Hoffman, Justin M.; Oliver, Allen G.; Brown, Seth N.","The Metal or the Ligand? The Preferred Locus for Redox Changes in Oxygen Atom Transfer Reactions of Rhenium Amidodiphenoxides.","Journal of the American Chemical Society","2017","","","","","10.1021/jacs.7b00985","","","0.7749","synchrotron","","0.042","0.0346","","","0.0819","0.0855","","","","","","1.015","","","","has coordinates","194301","2020-10-21","18:00:00",""
"4125870","13.0049","0.0005","11.7607","0.0005","11.634","0.0005","90","","99.373","0.002","90","","1755.63","0.13","296","2","296","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C16 H14 Co I2 N3 O2 -","- C14 H16 Co I2 N3 O -","- C56 H64 Co4 I8 N12 O4 -","4","1","","Waldie, Kate M.; Ramakrishnan, Srinivasan; Kim, Sung-Kwan; Maclaren, Jana K.; Chidsey, Christopher E. D.; Waymouth, Robert M.","Multielectron Transfer at Cobalt: Influence of the Phenylazopyridine Ligand.","Journal of the American Chemical Society","2017","139","12","4540","4550","10.1021/jacs.7b01047","","","0.71073","MoKα","","0.0172","0.016","","","0.0583","0.0597","","","","","","0.876","","","","has coordinates","194848","2020-10-21","18:00:00",""
"4125871","9.4249","0.0003","15.6731","0.0007","10.087","0.0005","90","","116.533","0.002","90","","1333.09","0.1","100","","100","","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C16 H14 Co N3 -","- C16 H14 Co N3 -","- C64 H56 Co4 N12 -","4","1","","Waldie, Kate M.; Ramakrishnan, Srinivasan; Kim, Sung-Kwan; Maclaren, Jana K.; Chidsey, Christopher E. D.; Waymouth, Robert M.","Multielectron Transfer at Cobalt: Influence of the Phenylazopyridine Ligand.","Journal of the American Chemical Society","2017","139","12","4540","4550","10.1021/jacs.7b01047","","x-ray","0.71073","MoKα","","0.0495","0.0314","","","0.0655","0.0736","","","","","","1.024","","","","has coordinates","194848","2020-10-21","18:00:00",""
"4125872","7.1818","0.0004","10.1423","0.0006","14.485","0.0008","90","","91.667","0.002","90","","1054.64","0.1","100","","100","","","","","","","","","6","P 1 c 1","P -2yc","7","","","","- C18 H17 Cl2 Co N4 O8 -","- C18 H17 Cl2 Co N4 O8 -","- C36 H34 Cl4 Co2 N8 O16 -","2","1","","Waldie, Kate M.; Ramakrishnan, Srinivasan; Kim, Sung-Kwan; Maclaren, Jana K.; Chidsey, Christopher E. D.; Waymouth, Robert M.","Multielectron Transfer at Cobalt: Influence of the Phenylazopyridine Ligand.","Journal of the American Chemical Society","2017","139","12","4540","4550","10.1021/jacs.7b01047","","x-ray","0.71073","MoKα","","0.028","0.0247","","","0.0546","0.056","","","","","","1.039","","","","has coordinates","194848","2020-10-21","18:00:00",""
"4125873","19.8615","0.0009","22.9601","0.001","13.8009","0.0006","90","","95.504","0.002","90","","6264.5","0.5","230","2","230","2","","","","","","","","7","C 1 2/c 1","-C 2yc","15","","","","- C56 H60 Cl4 F12 N8 P2 Ru -","- C56 H60 Cl4 F12 N8 P2 Ru -","- C224 H240 Cl16 F48 N32 P8 Ru4 -","4","0.5","","Zheng, Yu; Tan, Yuqi; Harms, Klaus; Marsch, Michael; Riedel, Radostan; Zhang, Lilu; Meggers, Eric","Octahedral Ruthenium Complex with Exclusive Metal-Centered Chirality for Highly Effective Asymmetric Catalysis.","Journal of the American Chemical Society","2017","139","12","4322","4325","10.1021/jacs.7b01098","","","0.71073","MoKα","","0.0432","0.0349","","","0.0855","0.0896","","","","","","1.069","","","","has coordinates,has disorder","194849","2020-10-21","18:00:00",""
"4125874","14.276","0.0006","15.7178","0.0007","14.3256","0.0006","90","","103.244","0.002","90","","3129","0.2","110","2","110","2","","","","","","","","6","P 1 21 1","P 2yb","4","z1056","","","- C60 H58 F12 N6 P4 Ru -","- C60 H58 F12 N6 P4 Ru -","- C120 H116 F24 N12 P8 Ru2 -","2","1","","Zheng, Yu; Tan, Yuqi; Harms, Klaus; Marsch, Michael; Riedel, Radostan; Zhang, Lilu; Meggers, Eric","Octahedral Ruthenium Complex with Exclusive Metal-Centered Chirality for Highly Effective Asymmetric Catalysis.","Journal of the American Chemical Society","2017","139","12","4322","4325","10.1021/jacs.7b01098","","","0.71073","MoKα","","0.0339","0.0278","","","0.0547","0.0563","","","","","","1.023","","","","has coordinates,has disorder","194849","2020-10-21","18:00:00",""
"4125875","16.85","0.01","9.878","0.008","18.29","0.011","90","","105.79","0.06","90","","2929","4","150","2","150","2","","","","","","","","5","I 1 2/a 1","-I 2ya","15","[C5H12N]2[Cu2(OAc)6]","Bis(piperidinium) hexaacetatodicopper(II)","","- C22 H42 Cu2 N2 O12 -","- C22 H42 Cu2 N2 O12 -","- C88 H168 Cu8 N8 O48 -","4","0.5","","Vantourout, Julien C.; Miras, Haralampos N.; Isidro-Llobet, Albert; Sproules, Stephen; Watson, Allan J. B.","Spectroscopic Studies of the Chan-Lam Amination: A Mechanism-Inspired Solution to Boronic Ester Reactivity.","Journal of the American Chemical Society","2017","139","13","4769","4779","10.1021/jacs.6b12800","","","0.71073","MoKα","","0.0831","0.0483","","","0.1045","0.1226","","","","","","1.036","","","","has coordinates","197433","2020-10-21","18:00:00",""
"4125876","10.5862","0.0004","15.0155","0.0006","15.7337","0.0006","90","","109.653","0.005","90","","2355.29","0.17","150","2","150","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","[Cu4(?3-OH)2(OAc)6(C5H11N)4]","dihydroxo-hexaacetato-tetrapiperidino-tetracopper(II)","","- C36 H70 Cu4 N6 O14 -","- C36 H70 Cu4 N6 O14 -","- C72 H140 Cu8 N12 O28 -","2","0.5","","Vantourout, Julien C.; Miras, Haralampos N.; Isidro-Llobet, Albert; Sproules, Stephen; Watson, Allan J. B.","Spectroscopic Studies of the Chan-Lam Amination: A Mechanism-Inspired Solution to Boronic Ester Reactivity.","Journal of the American Chemical Society","2017","139","13","4769","4779","10.1021/jacs.6b12800","","","0.71073","MoKα","","0.0472","0.0342","","","0.0724","0.079","","","","","","1.043","","","","has coordinates","197433","2020-10-21","18:00:00",""
"4125877","16.796","0.014","8.433","0.006","20.29","0.014","90","","91.318","0.018","90","","2873","4","296","2","296","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C16 H22 N O -","- C16 H24 N O -","- C128 H192 N8 O8 -","8","1","","Mazumdar, Wrickban; Jana, Navendu; Thurman, Bryant T.; Wink, Donald J.; Driver, Tom G.","Rh2(II)-Catalyzed Ring Expansion of Cyclobutanol-Substituted Aryl Azides To Access Medium-Sized N-Heterocycles.","Journal of the American Chemical Society","2017","","","","","10.1021/jacs.7b01833","","","0.71073","MoKα","","0.1026","0.0768","","","0.1771","0.1949","","","","","","1.447","","","","has coordinates","194626","2020-10-21","18:00:00",""
"4125878","17.8809","0.0002","15.7708","0.0002","28.0382","0.0004","90","","90","","90","","7906.66","0.17","180","2","180","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C24 H54 Br8 P2 Pd2 -","- C24 H54 Br8 P2 Pd2 -","- C192 H432 Br64 P16 Pd16 -","8","1","","Johansson Seechurn, Carin C. C.; Sperger, Theresa; Scrase, Thomas G.; Schoenebeck, Franziska; Colacot, Thomas J.","Understanding the Unusual Reduction Mechanism of Pd(II) to Pd(I): Uncovery of Hidden Species and Implications in Catalytic Cross-Coupling Reactions.","Journal of the American Chemical Society","2017","","","","","10.1021/jacs.7b01110","","","0.71073","MoKα","","0.0692","0.0451","","","0.0989","0.1094","","","","","","1.087","","","","has coordinates","194663","2020-10-21","18:00:00",""
"4125879","6.2242","0.0006","6.2242","0.0006","6.2242","0.0006","90","","90","","90","","241.13","0.04","170","6","170","6","","","","","","","","6","P m -3 m","-P 4 2 3","221","","","","- C H5.15 Br0.45 I2.55 N1.85 Pb -","- C Br0.4503 I2.5503 N1.875 Pb -","- C Br0.4503 I2.5503 N1.875 Pb -","1","0.0208333","","Xie, Li-Qiang; Chen, Liang; Nan, Zi-Ang; Lin, Hai-Xin; Wang, Tan; Zhan, Dong-Ping; Yan, Jia-Wei; Mao, Bing-Wei; Tian, Zhong-Qun","Understanding the Cubic Phase Stabilization and Crystallization Kinetics in Mixed Cations and Halides Perovskite Single Crystals.","Journal of the American Chemical Society","2017","139","9","3320","3323","10.1021/jacs.6b12432","","","0.71073","MoKα","","0.048","0.048","","","0.1215","0.1215","","","","","","1.261","","","","has coordinates,has disorder","194736","2020-10-21","18:00:00",""
"4125880","9.7948","0.0002","12.7635","0.0003","17.197","0.0004","90","","90","","90","","2149.9","0.08","125","","125","","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C23 H20 F7 N O3 -","- C23 H20 F7 N O3 -","- C92 H80 F28 N4 O12 -","4","1","","He, Jian; Shao, Qian; Wu, Qingfeng; Yu, Jin-Quan","Pd(II)-Catalyzed Enantioselective C(sp(3))-H Borylation.","Journal of the American Chemical Society","2017","139","9","3344","3347","10.1021/jacs.6b13389","","x-ray","1.54178","CuKα","","0.0254","0.0251","","","0.0631","0.0634","","","","","","1.046","","","","has coordinates","194737","2020-10-21","18:00:00",""
"4125881","6.2716","0.0002","15.4423","0.0004","19.9876","0.0005","90","","90","","90","","1935.76","0.09","125","","125","","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C20 H15 Cl F7 N O2 -","- C20 H15 Cl F7 N O2 -","- C80 H60 Cl4 F28 N4 O8 -","4","1","","He, Jian; Shao, Qian; Wu, Qingfeng; Yu, Jin-Quan","Pd(II)-Catalyzed Enantioselective C(sp(3))-H Borylation.","Journal of the American Chemical Society","2017","139","9","3344","3347","10.1021/jacs.6b13389","","x-ray","1.54178","CuKα","","0.023","0.0226","","","0.0593","0.0596","","","","","","1.054","","","","has coordinates","194738","2020-10-21","18:00:00",""
"4125882","12.2131","0.0008","12.737","0.0008","22.2524","0.0014","100.811","0.0007","104.37","0.0006","95.5916","0.0007","3255.8","0.4","100","2","100","2","","","","","","","","7","P -1","-P 1","2","","","","- C51 H99 K N2 O6 Pu Si6 -","- C51 H99 K N2 O6 Pu Si6 -","- C102 H198 K2 N4 O12 Pu2 Si12 -","2","1","","Windorff, Cory J.; Chen, Guo P.; Cross, Justin N.; Evans, William J.; Furche, Filipp; Gaunt, Andrew J.; Janicke, Michael T.; Kozimor, Stosh A.; Scott, Brian L.","Identification of the Formal +2 Oxidation State of Plutonium: Synthesis and Characterization of {Pu(II)[C5H3(SiMe3)2]3}().","Journal of the American Chemical Society","2017","139","11","3970","3973","10.1021/jacs.7b00706","","","0.71073","MoKα","","0.0282","0.0235","","","0.0511","0.0526","","","","","","1.037","","","","has coordinates","194739","2020-10-21","18:00:00",""
"4125883","11.0201","0.0016","11.0201","0.0016","5.8525","0.0012","90","","90","","90","","710.7","0.2","298","2","298","2","","","","","","","","3","P 4/m n c","-P 4 2n","128","","","","- Ge5 Pr2 Ru3 -","- Ge5 Pr2 Ru3 -","- Ge20 Pr8 Ru12 -","4","0.25","","Bugaris, Daniel E.; Malliakas, Christos D.; Han, Fei; Calta, Nicholas P.; Sturza, Mihai; Krogstad, Matthew J.; Osborn, Raymond; Rosenkranz, Stephan; Ruff, Jacob P. C.; Trimarchi, Giancarlo; Bud'ko, Sergey L.; Balasubramanian, Mahalingam; Chung, Duck Young; Kanatzidis, Mercouri G.","Charge Density Wave in the New Polymorphs of RE2Ru3Ge5 (RE = Pr, Sm, Dy).","Journal of the American Chemical Society","2017","139","11","4130","4143","10.1021/jacs.7b00284","","","0.71073","MoKα","","0.0281","0.028","","","0.0677","0.0677","","","","","","1.565","","","","has coordinates","194740","2020-10-21","18:00:00",""
"4125884","10.9816","0.0016","10.9816","0.0016","5.7773","0.0012","90","","90","","90","","696.7","0.2","298","2","298","2","","","","","","","","3","P 4/m n c","-P 4 2n","128","","","","- Ge5 Ru3 Sm2 -","- Ge5 Ru3 Sm2 -","- Ge20 Ru12 Sm8 -","4","0.25","","Bugaris, Daniel E.; Malliakas, Christos D.; Han, Fei; Calta, Nicholas P.; Sturza, Mihai; Krogstad, Matthew J.; Osborn, Raymond; Rosenkranz, Stephan; Ruff, Jacob P. C.; Trimarchi, Giancarlo; Bud'ko, Sergey L.; Balasubramanian, Mahalingam; Chung, Duck Young; Kanatzidis, Mercouri G.","Charge Density Wave in the New Polymorphs of RE2Ru3Ge5 (RE = Pr, Sm, Dy).","Journal of the American Chemical Society","2017","139","11","4130","4143","10.1021/jacs.7b00284","","","0.71073","MoKα","","0.0293","0.0291","","","0.068","0.0681","","","","","","1.466","","","","has coordinates","194740","2020-10-21","18:00:00",""
"4125885","10.9272","0.0015","10.9272","0.0015","5.697","0.0011","90","","90","","90","","680.24","0.19","298","2","298","2","","","","","","","","3","P 4/m n c","-P 4 2n","128","","","","- Dy2 Ge5 Ru3 -","- Dy2 Ge5 Ru3 -","- Dy8 Ge20 Ru12 -","4","0.25","","Bugaris, Daniel E.; Malliakas, Christos D.; Han, Fei; Calta, Nicholas P.; Sturza, Mihai; Krogstad, Matthew J.; Osborn, Raymond; Rosenkranz, Stephan; Ruff, Jacob P. C.; Trimarchi, Giancarlo; Bud'ko, Sergey L.; Balasubramanian, Mahalingam; Chung, Duck Young; Kanatzidis, Mercouri G.","Charge Density Wave in the New Polymorphs of RE2Ru3Ge5 (RE = Pr, Sm, Dy).","Journal of the American Chemical Society","2017","139","11","4130","4143","10.1021/jacs.7b00284","","","0.71073","MoKα","","0.0293","0.0292","","","0.0685","0.0686","","","","","","1.269","","","","has coordinates","194740","2020-10-21","18:00:00",""
"4125886","15.4137","0.0004","9.8707","0.0003","11.2707","0.0003","90","","116.835","0.0012","90","","1530.11","0.08","200","2","200","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C20 H40 F12 Ni2 P4 -","- C20 H40 F12 Ni2 P4 -","- C40 H80 F24 Ni4 P8 -","2","0.25","","Giffin, Kaitie A.; Pua, Lorraine A.; Piotrkowski, Sarah; Gabidullin, Bulat M.; Korobkov, Ilia; Hughes, Russell P.; Baker, R. Tom","Generation of Hydrofluoronickelacycles from Trifluoroethylene and Ni(0): Ligand Effects on Regio-/Stereoselectivity and Reactivity.","Journal of the American Chemical Society","2017","139","11","4075","4086","10.1021/jacs.6b12607","","","0.71073","MoKα","","0.0584","0.0568","","","0.1756","0.1772","","","","","","1.05","","","","has coordinates,has disorder","194741","2020-10-21","18:00:00",""
"4125887","6.886","0.003","14.27","0.006","12.665","0.006","90","","105.557","0.016","90","","1198.9","0.9","200","2","200","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C20 H24 B2 F10 P2 -","- C20 H24 B2 F10 P2 -","- C40 H48 B4 F20 P4 -","2","0.5","","Giffin, Kaitie A.; Pua, Lorraine A.; Piotrkowski, Sarah; Gabidullin, Bulat M.; Korobkov, Ilia; Hughes, Russell P.; Baker, R. Tom","Generation of Hydrofluoronickelacycles from Trifluoroethylene and Ni(0): Ligand Effects on Regio-/Stereoselectivity and Reactivity.","Journal of the American Chemical Society","2017","139","11","4075","4086","10.1021/jacs.6b12607","","","0.71073","MoKα","","0.0662","0.0438","","","0.1002","0.1127","","","","","","1.027","","","","has coordinates,has disorder","194742","2020-10-21","18:00:00",""
"4125888","10.7635","0.0006","11.6514","0.0006","17.8407","0.0009","92.31","0.002","106.077","0.002","102.044","0.002","2091.09","0.19","100","2","99.99","","","","","","","","","5","P -1","-P 1","2","","","","- C88 H67 F24 N8 P4 -","- C88 H67 F24 N8 P4 -","- C88 H67 F24 N8 P4 -","1","0.5","","Gong, Xirui; Young, Ryan M.; Hartlieb, Karel J.; Miller, Claire; Wu, Yilei; Xiao, Hai; Li, Peng; Hafezi, Nema; Zhou, Jiawang; Ma, Lin; Cheng, Tao; Goddard, 3rd, William A; Farha, Omar K.; Hupp, Joseph T.; Wasielewski, Michael R.; Stoddart, J. Fraser","Intramolecular Energy and Electron Transfer within a Diazaperopyrenium-Based Cyclophane.","Journal of the American Chemical Society","2017","139","11","4107","4116","10.1021/jacs.6b13223","","","1.54178","CuKα","","0.1318","0.116","","","0.3593","0.3886","","","","","","1.776","","","","has coordinates,has disorder","194743","2020-10-21","18:00:00",""
"4125889","18.5677","0.0002","31.2061","0.0008","26.9907","0.0003","90","","90","","90","","15639.1","0.5","120","","120","","","","","","","","","4","P n a a","-P 2ac 2bc","56","","","","- C144 H162 Au25 S18 -","- C144 H162 Au25 S18 -","- C576 H648 Au100 S72 -","4","0.5","","Antonello, Sabrina; Dainese, Tiziano; Pan, Fangfang; Rissanen, Kari; Maran, Flavio","Electrocrystallization of Monolayer-Protected Gold Clusters: Opening the Door to Quality, Quantity, and New Structures.","Journal of the American Chemical Society","2017","139","11","4168","4174","10.1021/jacs.7b00568","","x-ray","0.71073","MoKα","","0.0777","0.0678","","","0.1293","0.1333","","","","","","1.3","","","","has coordinates,has disorder","194744","2020-10-21","18:00:00",""
"4125890","16.988","0.0002","24.4379","0.0003","35.2401","0.0004","69.994","0.001","80.989","0.001","88.766","0.001","13569.4","0.3","100","0.1","100","0.1","","","","","","","","4","P -1","-P 1","2","","","","- C90 H198 Au25 S18 -","- C90 H198 Au25 S18 -","- C360 H792 Au100 S72 -","4","2","","Antonello, Sabrina; Dainese, Tiziano; Pan, Fangfang; Rissanen, Kari; Maran, Flavio","Electrocrystallization of Monolayer-Protected Gold Clusters: Opening the Door to Quality, Quantity, and New Structures.","Journal of the American Chemical Society","2017","139","11","4168","4174","10.1021/jacs.7b00568","","x-ray","1.54184","CuKα","","0.0888","0.0771","","","0.2078","0.2227","","","","","","1.015","","","","has coordinates,has disorder","194745","2020-10-21","18:00:00",""
"4125891","8.265","0.0006","42.3212","0.0019","8.6657","0.0005","90","","117.963","0.008","90","","2677.2","0.3","100","2","100","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C24 H39 I N2 O4 -","- C24 H39 I N2 O4 -","- C96 H156 I4 N8 O16 -","4","2","","Muñiz, Kilian; Barreiro, Laura; Romero, R Martín; Martínez, Claudio","Catalytic Asymmetric Diamination of Styrenes.","Journal of the American Chemical Society","2017","139","12","4354","4357","10.1021/jacs.7b01443","","","0.7107","MoKα","","0.1125","0.0685","","","0.1318","0.144","","","","","","1.025","","","","has coordinates","194746","2020-10-21","18:00:00",""
"4125892","11.4085","0.0005","12.0467","0.0004","12.3818","0.0005","90","","103.436","0.0016","90","","1655.11","0.11","100","2","100","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C28 H47 I N2 O9 -","- C28 H47 I N2 O9 -","- C56 H94 I2 N4 O18 -","2","1","","Muñiz, Kilian; Barreiro, Laura; Romero, R Martín; Martínez, Claudio","Catalytic Asymmetric Diamination of Styrenes.","Journal of the American Chemical Society","2017","139","12","4354","4357","10.1021/jacs.7b01443","","","0.71073","MoKα","","0.0174","0.0167","","","0.041","0.0413","","","","","","1.099","","","","has coordinates,has disorder","194747","2020-10-21","18:00:00",""
"4125893","11.4214","0.0014","8.8776","0.001","13.2732","0.0013","90","","95.132","0.01","90","","1340.4","0.3","172.99","0.1","172.99","0.1","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C16 H23 N O3 -","- C16 H23 N O3 -","- C64 H92 N4 O12 -","4","1","","Wang, Fang-Xin; Du, Ji-Yuan; Wang, Hui-Bin; Zhang, Peng-Lin; Zhang, Guo-Biao; Yu, Ke-Yin; Zhang, Xiang-Zhi; An, Xian-Tao; Cao, Ye-Xing; Fan, Chun-An","Total Synthesis of Lycopodium Alkaloids Palhinine A and Palhinine D.","Journal of the American Chemical Society","2017","139","12","4282","4285","10.1021/jacs.6b13401","","x-ray","0.71073","MoKα","","0.0835","0.0646","","","0.1603","0.1836","","","","","","1.07","","","","has coordinates","194748","2020-10-21","18:00:00",""
"4125894","5.7856","0.0008","13.4044","0.001","19.945","0.003","90","","90","","90","","1546.8","0.3","298","","293","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C7 H9 N3 O2 -","- C7 H9 N3 O2 -","- C56 H72 N24 O16 -","8","2","","Mitra, Shouvik; Sasmal, Himadri Sekhar; Kundu, Tanay; Kandambeth, Sharath; Illath, Kavya; Díaz Díaz, David; Banerjee, Rahul","Targeted Drug Delivery in Covalent Organic Nanosheets (CONs) via Sequential Postsynthetic Modification.","Journal of the American Chemical Society","2017","139","12","4513","4520","10.1021/jacs.7b00925","","","0.71073","MoKα","","0.1219","0.0765","","","0.1753","0.2065","","","","","","1.051","","","","has coordinates","194749","2020-10-21","18:00:00",""
"4125895","5.4473","0.0011","13.907","0.003","10.057","0.002","90","","102.69","0.02","90","","743.3","0.3","293","2","293","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C7 H9 N3 O -","- C7 H9 N3 O -","- C28 H36 N12 O4 -","4","1","","Mitra, Shouvik; Sasmal, Himadri Sekhar; Kundu, Tanay; Kandambeth, Sharath; Illath, Kavya; Díaz Díaz, David; Banerjee, Rahul","Targeted Drug Delivery in Covalent Organic Nanosheets (CONs) via Sequential Postsynthetic Modification.","Journal of the American Chemical Society","2017","139","12","4513","4520","10.1021/jacs.7b00925","","x-ray","1.54184","CuKα","","0.1111","0.1022","","","0.2795","0.305","","","","","","1.191","","","","has coordinates","194750","2020-10-21","18:00:00",""
"4125896","18.8592","0.0013","16.9002","0.0012","8.2712","0.0006","90","","100.573","0.001","90","","2591.5","0.3","100","2","100","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C56 H90 O6 -","- C56 H90 O6 -","- C112 H180 O12 -","2","0.5","","Ivanov, Maxim V.; Chebny, Vincent J.; Talipov, Marat R.; Rathore, Rajendra","Poly-p-hydroquinone Ethers: Isoenergetic Molecular Wires with Length-Invariant Oxidation Potentials and Cation Radical Excitation Energies.","Journal of the American Chemical Society","2017","139","12","4334","4337","10.1021/jacs.7b01226","","","0.71073","MoKα","","0.053","0.0445","","","0.1249","0.1311","","","","","","1.059","","","","has coordinates","194751","2020-10-21","18:00:00",""
"4125897","11.8364","0.0003","20.54","0.0006","20.7869","0.0006","90","","94.764","0.003","90","","5036.2","0.2","180","0.1","180","0.1","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C40 H80 Li4 O4 Pd Si4 -","- C40 H80 Li4 O4 Pd Si4 -","- C160 H320 Li16 O16 Pd4 Si16 -","4","0.5","","Zhang, Yongliang; Wei, Junnian; Chi, Yue; Zhang, Xuan; Zhang, Wen-Xiong; Xi, Zhenfeng","Spiro Metallaaromatics of Pd, Pt, Rh: Synthesis and Characterization.","Journal of the American Chemical Society","2017","","","","","10.1021/jacs.7b02039","","","0.7107","MoKα","","0.0448","0.0322","","","0.0702","0.0764","","","","","","1.053","","","","has coordinates,has disorder","194907","2020-10-21","18:00:00",""
"4125898","12.0313","0.0004","22.2632","0.0007","19.4592","0.0008","90","","96.183","0.003","90","","5181.9","0.3","180","0.1","180","0.1","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C44 H84 Li4 O4 Pd Si4 -","- C44 H84 Li4 O4 Pd Si4 -","- C176 H336 Li16 O16 Pd4 Si16 -","4","1","","Zhang, Yongliang; Wei, Junnian; Chi, Yue; Zhang, Xuan; Zhang, Wen-Xiong; Xi, Zhenfeng","Spiro Metallaaromatics of Pd, Pt, Rh: Synthesis and Characterization.","Journal of the American Chemical Society","2017","","","","","10.1021/jacs.7b02039","","","0.7107","MoKα","","0.0939","0.0507","","","0.0946","0.1103","","","","","","1.025","","","","has coordinates","194907","2020-10-21","18:00:00",""
"4125899","19.108","0.0008","10.045","0.0005","23.563","0.0009","90","","105.426","0.004","90","","4359.7","0.3","180.01","0.1","180.01","0.1","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","4EtPd","","- C40 H72 Li4 O4 Pd -","- C40 H72 Li4 O4 Pd -","- C160 H288 Li16 O16 Pd4 -","4","1","","Zhang, Yongliang; Wei, Junnian; Chi, Yue; Zhang, Xuan; Zhang, Wen-Xiong; Xi, Zhenfeng","Spiro Metallaaromatics of Pd, Pt, Rh: Synthesis and Characterization.","Journal of the American Chemical Society","2017","","","","","10.1021/jacs.7b02039","","","0.71073","MoKα","","0.0687","0.0472","","","0.1123","0.1257","","","","","","1.023","","","","has coordinates","194907","2020-10-21","18:00:00",""
"4125900","11.8523","0.0002","20.4652","0.0004","20.7437","0.0004","90","","94.8849","0.0017","90","","5013.31","0.16","173","0.1","173","0.1","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C40 H80 Li4 O4 Pt Si4 -","- C40 H80 Li4 O4 Pt Si4 -","- C160 H320 Li16 O16 Pt4 Si16 -","4","0.5","","Zhang, Yongliang; Wei, Junnian; Chi, Yue; Zhang, Xuan; Zhang, Wen-Xiong; Xi, Zhenfeng","Spiro Metallaaromatics of Pd, Pt, Rh: Synthesis and Characterization.","Journal of the American Chemical Society","2017","","","","","10.1021/jacs.7b02039","","x-ray","0.71073","MoKα","","0.02","0.0191","","","0.0445","0.0448","","","","","","1.064","","","","has coordinates,has disorder","194907","2020-10-21","18:00:00",""
"4125901","12.0308","0.0004","22.3313","0.0008","19.4728","0.0007","90","","96.039","0.003","90","","5202.6","0.3","180","0.1","180","0.1","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C44 H84 Li4 O4 Pt Si4 -","- C44 H84 Li4 O4 Pt Si4 -","- C176 H336 Li16 O16 Pt4 Si16 -","4","1","","Zhang, Yongliang; Wei, Junnian; Chi, Yue; Zhang, Xuan; Zhang, Wen-Xiong; Xi, Zhenfeng","Spiro Metallaaromatics of Pd, Pt, Rh: Synthesis and Characterization.","Journal of the American Chemical Society","2017","","","","","10.1021/jacs.7b02039","","","0.7107","MoKα","","0.0374","0.0267","","","0.0583","0.0633","","","","","","1.056","","","","has coordinates","194907","2020-10-21","18:00:00",""
"4125902","12.0164","0.0008","20.6077","0.0014","20.6174","0.0015","90","","92.763","0.006","90","","5099.6","0.6","180","0.1","180","0.1","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C40 H80 Li5 O4 Rh Si4 -","- C40 H80 Li5 O4 Rh Si4 -","- C160 H320 Li20 O16 Rh4 Si16 -","4","0.5","","Zhang, Yongliang; Wei, Junnian; Chi, Yue; Zhang, Xuan; Zhang, Wen-Xiong; Xi, Zhenfeng","Spiro Metallaaromatics of Pd, Pt, Rh: Synthesis and Characterization.","Journal of the American Chemical Society","2017","","","","","10.1021/jacs.7b02039","","","0.7107","MoKα","","0.114","0.0862","","","0.1856","0.1992","","","","","","1.132","","","","has coordinates","194907","2020-10-21","18:00:00",""
"4125903","15.473","0.003","6.5866","0.0013","19.166","0.004","90","","92.601","0.005","90","","1951.3","0.7","293","2","293","2","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C17 H20 F3 N O5 S -","- C17 H20 F3 N O5 S -","- C68 H80 F12 N4 O20 S4 -","4","2","","Zhang, Zhongyin; Wang, Jinxin; Li, Jian; Yang, Fan; Liu, Guodu; Tang, Wenjun; He, Weiwei; Fu, Jian-Jun; Shen, Yun-Heng; Li, Ang; Zhang, Wei-Dong","Total Synthesis and Stereochemical Assignment of Delavatine A: Rh-Catalyzed Asymmetric Hydrogenation of Indene-Type Tetrasubstituted Olefins and Kinetic Resolution through Pd-Catalyzed Triflamide-Directed C-H Olefination.","Journal of the American Chemical Society","2017","139","15","5558","5567","10.1021/jacs.7b01718","","","0.71073","MoKα","","0.0707","0.0541","","","0.1183","0.1279","","","","","","1.023","","","","has coordinates","197435","2020-10-21","18:00:00",""
"4125904","5.2899","0.0005","9.3662","0.0009","29.113","0.003","90","","90","","90","","1442.4","0.2","140","2","140","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C13 H16 F3 N O3 S -","- C13 H16 F3 N O3 S -","- C52 H64 F12 N4 O12 S4 -","4","1","","Zhang, Zhongyin; Wang, Jinxin; Li, Jian; Yang, Fan; Liu, Guodu; Tang, Wenjun; He, Weiwei; Fu, Jian-Jun; Shen, Yun-Heng; Li, Ang; Zhang, Wei-Dong","Total Synthesis and Stereochemical Assignment of Delavatine A: Rh-Catalyzed Asymmetric Hydrogenation of Indene-Type Tetrasubstituted Olefins and Kinetic Resolution through Pd-Catalyzed Triflamide-Directed C-H Olefination.","Journal of the American Chemical Society","2017","139","15","5558","5567","10.1021/jacs.7b01718","","","0.71073","MoKα","","0.0543","0.0423","","","0.0934","0.0991","","","","","","1.039","","","","has coordinates","197435","2020-10-21","18:00:00",""
"4125905","4.99","0.0001","10.5256","0.0002","29.4272","0.0007","90","","90","","90","","1545.6","0.06","173","2","173","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C14 H17 F3 N O3 S -","- C14 H17 F3 N O3 S -","- C56 H68 F12 N4 O12 S4 -","4","1","","Zhang, Zhongyin; Wang, Jinxin; Li, Jian; Yang, Fan; Liu, Guodu; Tang, Wenjun; He, Weiwei; Fu, Jian-Jun; Shen, Yun-Heng; Li, Ang; Zhang, Wei-Dong","Total Synthesis and Stereochemical Assignment of Delavatine A: Rh-Catalyzed Asymmetric Hydrogenation of Indene-Type Tetrasubstituted Olefins and Kinetic Resolution through Pd-Catalyzed Triflamide-Directed C-H Olefination.","Journal of the American Chemical Society","2017","139","15","5558","5567","10.1021/jacs.7b01718","","","1.54178","CuKα","","0.029","0.0282","","","0.0787","0.0793","","","","","","1.013","","","","has coordinates","197435","2020-10-21","18:00:00",""
"4125906","8.2974","0.0001","8.2974","0.0001","62.6514","0.0012","90","","90","","90","","4313.35","0.11","293","2","293","2","","","","","","","","4","P 41 21 2","P 4abw 2nw","92","","","","- C52 H48 O4 P2 -","- C52 H48 O4 P2 -","- C208 H192 O16 P8 -","4","0.5","","Zhang, Zhongyin; Wang, Jinxin; Li, Jian; Yang, Fan; Liu, Guodu; Tang, Wenjun; He, Weiwei; Fu, Jian-Jun; Shen, Yun-Heng; Li, Ang; Zhang, Wei-Dong","Total Synthesis and Stereochemical Assignment of Delavatine A: Rh-Catalyzed Asymmetric Hydrogenation of Indene-Type Tetrasubstituted Olefins and Kinetic Resolution through Pd-Catalyzed Triflamide-Directed C-H Olefination.","Journal of the American Chemical Society","2017","139","15","5558","5567","10.1021/jacs.7b01718","","","1.54178","CuKα","","0.0535","0.0419","","","0.1006","0.1086","","","","","","1.034","","","","has coordinates","197435","2020-10-21","18:00:00",""
"4125907","8.1168","0.0007","9.4474","0.0009","29.166","0.003","90","","90","","90","","2236.5","0.4","293","2","293","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C26 H25 O3 P -","- C26 H25 O3 P -","- C104 H100 O12 P4 -","4","1","","Zhang, Zhongyin; Wang, Jinxin; Li, Jian; Yang, Fan; Liu, Guodu; Tang, Wenjun; He, Weiwei; Fu, Jian-Jun; Shen, Yun-Heng; Li, Ang; Zhang, Wei-Dong","Total Synthesis and Stereochemical Assignment of Delavatine A: Rh-Catalyzed Asymmetric Hydrogenation of Indene-Type Tetrasubstituted Olefins and Kinetic Resolution through Pd-Catalyzed Triflamide-Directed C-H Olefination.","Journal of the American Chemical Society","2017","139","15","5558","5567","10.1021/jacs.7b01718","","","0.71073","MoKα","","0.0556","0.047","","","0.1177","0.1236","","","","","","1.025","","","","has coordinates","197435","2020-10-21","18:00:00",""
"4125908","9.6429","0.0002","18.4345","0.0004","20.8434","0.0004","90","","90","","90","","3705.17","0.13","100","2","100","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C16 H27 N3 S2 -","- C16 H27 N3 S2 -","- C128 H216 N24 S16 -","8","2","","Rombola, Michael; Sumaria, Chintan S.; Montgomery, Thomas D.; Rawal, Viresh H.","Development of Chiral, Bifunctional Thiosquaramides: Enantioselective Michael Additions of Barbituric Acids to Nitroalkenes.","Journal of the American Chemical Society","2017","139","15","5297","5300","10.1021/jacs.7b01115","","","1.54178","CuKα","","0.028","0.0255","","","0.0606","0.062","","","","","","0.962","","","","has coordinates","197436","2020-10-21","18:00:00",""
"4125909","38.284","0.005","38.284","0.005","47.377","0.009","90","","90","","120","","60136","16","100","2","100","2","","","","","","","","5","R -3 c :H","-R 3 2""c","167","","","","- C136.67 H109.67 B3 Cl5 N3 -","- C136.667 H109.667 B3 Cl5 N3 -","- C2460 H1974 B54 Cl90 N54 -","18","0.5","","Marinelli, Davide; Fasano, Francesco; Najjari, Btissam; Demitri, Nicola; Bonifazi, Davide","Borazino-Doped Polyphenylenes.","Journal of the American Chemical Society","2017","","","","","10.1021/jacs.7b01477","","","0.7","Synchrotron","","0.1551","0.1438","","","0.3349","0.3418","","","","","","1.081","","","","has coordinates,has disorder","195216","2020-10-21","18:00:00",""
"4125910","28.0407","0.0004","14.5457","0.0002","14.2999","0.0002","90","","96.8021","0.0009","90","","5791.47","0.14","100","","100","","","","","","","","","8","C 1 2/c 1","-C 2yc","15","","","","- C44 H98 B2 F8 N4 O P4 Ru2 -","- C44 H98 B2 F8 N4 O P4 Ru2 -","- C176 H392 B8 F32 N16 O4 P16 Ru8 -","4","0.5","","Lindley, Brian M.; Bruch, Quinton J.; White, Peter S.; Hasanayn, Faraj; Miller, Alexander J. M.","Ammonia Synthesis from a Pincer Ruthenium Nitride via Metal-Ligand Cooperative Proton-Coupled Electron Transfer.","Journal of the American Chemical Society","2017","139","15","5305","5308","10.1021/jacs.7b01323","","","1.54178","CuKα","","0.0618","0.0471","","","0.1091","0.1177","","","","","","1.05","","","","has coordinates,has disorder","197437","2020-10-21","18:00:00",""
"4125911","9.2072","0.0002","13.6297","0.0003","16.4432","0.0003","113.178","0.0013","100.015","0.0015","92.847","0.0015","1852.06","0.07","100","","100","","","","","","","","","8","P -1","-P 1","2","","","","- C28 H53 B F4 N2 O3 P2 Ru -","- C28 H53 B F4 N2 O3 P2 Ru -","- C56 H106 B2 F8 N4 O6 P4 Ru2 -","2","1","","Lindley, Brian M.; Bruch, Quinton J.; White, Peter S.; Hasanayn, Faraj; Miller, Alexander J. M.","Ammonia Synthesis from a Pincer Ruthenium Nitride via Metal-Ligand Cooperative Proton-Coupled Electron Transfer.","Journal of the American Chemical Society","2017","139","15","5305","5308","10.1021/jacs.7b01323","","","1.54178","CuKα","","0.0402","0.0334","","","0.081","0.0842","","","","","","1.035","","","","has coordinates","197437","2020-10-21","18:00:00",""
"4125912","24.2286","0.0012","5.0539","0.0003","27.8102","0.0014","90","","101.601","0.004","90","","3335.8","0.3","100","2","100","2","","","","","","","","4","C 1 2 1","C 2y","5","","","","- C37 H48 N2 O6 -","- C37 H48 N2 O6 -","- C148 H192 N8 O24 -","4","1","","Sato, Michio; Dander, Jacob E.; Sato, Chizuru; Hung, Yiu-Sun; Gao, Shu-Shan; Tang, Man-Cheng; Hang, Leibniz; Winter, Jaclyn M.; Garg, Neil K.; Watanabe, Kenji; Tang, Yi","Collaborative Biosynthesis of Maleimide- and Succinimide-Containing Natural Products by Fungal Polyketide Megasynthases.","Journal of the American Chemical Society","2017","","","","","10.1021/jacs.7b02432","","","1.54178","CuKα","","0.0526","0.0419","","","0.0987","0.102","","","","","","1.041","","","","has coordinates,has disorder","195242","2020-10-21","18:00:00",""
"4125913","16.4663","0.0007","17.045","0.0006","16.9234","0.0007","90","","117.894","0.002","90","","4198","0.3","296","2","296","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","TCNE-05","","","- C40.5 H10.5 B Cl1.5 F12 N11 -","- C40.5 H10.5 B Cl1.5 F12 N11 -","- C162 H42 B4 Cl6 F48 N44 -","4","1","","Winterfeld, Kim A.; Lavarda, Giulia; Guilleme, Julia; Sekita, Michael; Guldi, Dirk M.; Torres, Tomás; Bottari, Giovanni","Subphthalocyanines Axially Substituted with a Tetracyanobuta-1,3-diene-Aniline Moiety: Synthesis, Structure, and Physicochemical Properties.","Journal of the American Chemical Society","2017","139","15","5520","5529","10.1021/jacs.7b01460","","","0.71073","","","0.24","0.1031","","","0.284","0.37","","","","","","1.051","","","","has coordinates","197438","2020-10-21","18:00:00",""
"4125914","13.242","0.006","11.996","0.006","12.795","0.006","90","","98.032","0.009","90","","2012.6","1.7","100","2","100","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C19 H31 Cl Ir N3 -","- C19 H31 Cl Ir N3 -","- C76 H124 Cl4 Ir4 N12 -","4","1","","Xu, Yan; Young, Michael C.; Dong, Guangbin","Catalytic Coupling between Unactivated Aliphatic C-H Bonds and Alkynes via a Metal-Hydride Pathway.","Journal of the American Chemical Society","2017","","","","","10.1021/jacs.7b02020","","","0.71073","MoKα","","0.05","0.0382","","","0.0827","0.0908","","","","","","1.03","","","","has coordinates","255805","2020-10-21","18:00:00",""
"4125915","14.6485","0.0014","15.5804","0.0015","27.395","0.003","102.605","0.002","97.567","0.002","99.053","0.002","5935.6","1","130","","130","","","","","","","","","5","P -1","-P 1","2","","","","- C60 H135 Au20.65 Cu0.35 S15 -","- C60 H135 Au20.665 Cu0.335 S15 -","- C120 H270 Au41.33 Cu0.67 S30 -","2","1","","Yang, Sha; Chai, Jinsong; Song, Yongbo; Fan, Jiqiang; Chen, Tao; Wang, Shuxin; Yu, Haizhu; Li, Xiaowu; Zhu, Manzhou","In Situ Two-Phase Ligand Exchange: A New Method for the Synthesis of Alloy Nanoclusters with Precise Atomic Structures.","Journal of the American Chemical Society","2017","139","16","5668","5671","10.1021/jacs.7b00668","","","0.71073","MoKα","","0.1169","0.0867","","","0.2134","0.2362","","","","","","1.007","","","","has coordinates,has disorder","197426","2020-10-21","18:00:00",""
"4125916","24.4258","0.0011","13.1097","0.0006","8.6242","0.0004","90","","91.627","0.002","90","","2760.5","0.2","100","2","100.15","","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","[Cu2glu2Bpa]n","","- C22 H24 Cu2 N2 O8 -","- C22 H24 Cu2 N2 O8 -","- C88 H96 Cu8 N8 O32 -","4","0.5","","Bezuidenhout, Charl X.; Smith, Vincent J.; Esterhuysen, Catharine; Barbour, Leonard J.","Solvent- and Pressure-Induced Phase Changes in Two 3D Copper Glutarate-Based Metal-Organic Frameworks via Glutarate (+gauche ⇄ -gauche) Conformational Isomerism.","Journal of the American Chemical Society","2017","139","16","5923","5929","10.1021/jacs.7b01764","","","0.71073","MoKα","","0.028","0.0265","","","0.0669","0.0678","","","","","","1.075","","","","has coordinates,has disorder","197420","2020-10-21","18:00:00",""
"4125917","24.556","0.002","12.9794","0.0012","8.6609","0.0008","90","","91.796","0.002","90","","2759.1","0.4","100","2","100.15","","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C11.5 H12 Cu N O5.44 -","- C11.4994 H12 Cu N O5.44025 -","- C91.9952 H96 Cu8 N8 O43.522 -","8","1","","Bezuidenhout, Charl X.; Smith, Vincent J.; Esterhuysen, Catharine; Barbour, Leonard J.","Solvent- and Pressure-Induced Phase Changes in Two 3D Copper Glutarate-Based Metal-Organic Frameworks via Glutarate (+gauche ⇄ -gauche) Conformational Isomerism.","Journal of the American Chemical Society","2017","139","16","5923","5929","10.1021/jacs.7b01764","","","0.71073","MoKα","","0.0437","0.0371","","","0.1078","0.1114","","","","","","1.118","","","","has coordinates,has disorder","197420","2020-10-21","18:00:00",""
"4125918","23.72","0.009","11.8","0.004","9.239","0.004","90","","90.476","0.004","90","","2585.9","1.7","100","2","100.15","","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","[Cu2glu2Bpa]n_XH2O","","- C44 H48 Cu4 N4 O16 -","- C44 H48 Cu4 N4 O16 -","- C88 H96 Cu8 N8 O32 -","2","0.25","","Bezuidenhout, Charl X.; Smith, Vincent J.; Esterhuysen, Catharine; Barbour, Leonard J.","Solvent- and Pressure-Induced Phase Changes in Two 3D Copper Glutarate-Based Metal-Organic Frameworks via Glutarate (+gauche ⇄ -gauche) Conformational Isomerism.","Journal of the American Chemical Society","2017","139","16","5923","5929","10.1021/jacs.7b01764","","","0.71073","MoKα","","0.0875","0.0482","","","0.0808","0.091","","","","","","0.949","","","","has coordinates","197420","2020-10-21","18:00:00",""
"4125919","24.556","0.002","12.9794","0.0012","8.6609","0.0008","90","","91.796","0.002","90","","2759.1","0.4","100","2","100.15","","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","[Cu2glu2Bpa]n","","- C11 H12 Cu N O4 -","- C11 H12 Cu N O4 -","- C88 H96 Cu8 N8 O32 -","8","1","","Bezuidenhout, Charl X.; Smith, Vincent J.; Esterhuysen, Catharine; Barbour, Leonard J.","Solvent- and Pressure-Induced Phase Changes in Two 3D Copper Glutarate-Based Metal-Organic Frameworks via Glutarate (+gauche ⇄ -gauche) Conformational Isomerism.","Journal of the American Chemical Society","2017","139","16","5923","5929","10.1021/jacs.7b01764","","","0.71073","MoKα","","0.0347","0.0293","","","0.0792","0.0814","","","","","","1.076","","","","has coordinates","197420","2020-10-21","18:00:00",""
"4125920","27.255","0.009","11.819","0.004","9.148","0.003","90","","90","","90","","2946.8","1.7","100","2","100.15","","","","","","","","","5","P c c n","-P 2ab 2ac","56","","","","- C24.61 H26 Cu2 N2 O11.23 -","- C24.6147 H26 Cu2 N2 O11.2294 -","- C98.4588 H104 Cu8 N8 O44.9176 -","4","0.5","","Bezuidenhout, Charl X.; Smith, Vincent J.; Esterhuysen, Catharine; Barbour, Leonard J.","Solvent- and Pressure-Induced Phase Changes in Two 3D Copper Glutarate-Based Metal-Organic Frameworks via Glutarate (+gauche ⇄ -gauche) Conformational Isomerism.","Journal of the American Chemical Society","2017","139","16","5923","5929","10.1021/jacs.7b01764","","","0.71073","MoKα","","0.0609","0.0385","","","0.0895","0.0995","","","","","","1.044","","","","has coordinates,has disorder","197420","2020-10-21","18:00:00",""
"4125921","12.9025","0.0011","27.615","0.002","8.5728","0.0007","90","","90","","90","","3054.5","0.4","100","2","100.15","","","","","","","","","5","P c c n","-P 2ab 2ac","56","","","","- C14.5 H19 Cu N O5 -","- C14.5 H19 Cu N O5 -","- C116 H152 Cu8 N8 O40 -","8","1","","Bezuidenhout, Charl X.; Smith, Vincent J.; Esterhuysen, Catharine; Barbour, Leonard J.","Solvent- and Pressure-Induced Phase Changes in Two 3D Copper Glutarate-Based Metal-Organic Frameworks via Glutarate (+gauche ⇄ -gauche) Conformational Isomerism.","Journal of the American Chemical Society","2017","139","16","5923","5929","10.1021/jacs.7b01764","","","0.71073","MoKα","","0.0254","0.0228","","","0.057","0.0583","","","","","","1.05","","","","has coordinates","197420","2020-10-21","18:00:00",""
"4125922","14.5065","0.0006","15.758","0.0007","19.4","0.0007","91.379","0.003","98.913","0.003","90.225","0.003","4379.8","0.3","180","2","180.15","","","","","","","","","4","P -1","-P 1","2","","","","- C42 H62 O9 Si2 -","- C42 H62 O9 Si2 -","- C168 H248 O36 Si8 -","4","2","","Liu, Dong-Dong; Sun, Tian-Wen; Wang, Kuang-Yu; Lu, Yong; Zhang, Su-Lei; Li, Yuan-He; Jiang, Yan-Long; Chen, Jia-Hua; Yang, Zhen","Asymmetric Total Synthesis of Lancifodilactone G Acetate.","Journal of the American Chemical Society","2017","139","16","5732","5735","10.1021/jacs.7b02561","","","0.71073","MoKα","","0.111","0.0892","","","0.2589","0.2753","","","","","","1.041","","","","has coordinates,has disorder","197422","2020-10-21","18:00:00",""
"4125923","13.8165","0.0011","16.1678","0.0012","17.3578","0.0017","80.09","0.007","81.32","0.007","77.271","0.007","3699.8","0.6","180.01","0.1","180.01","0.1","","","","","","","","3","P -1","-P 1","2","","","","- C31 H38 O11 -","- C31 H38 O11 -","- C124 H152 O44 -","4","2","","Liu, Dong-Dong; Sun, Tian-Wen; Wang, Kuang-Yu; Lu, Yong; Zhang, Su-Lei; Li, Yuan-He; Jiang, Yan-Long; Chen, Jia-Hua; Yang, Zhen","Asymmetric Total Synthesis of Lancifodilactone G Acetate.","Journal of the American Chemical Society","2017","139","16","5732","5735","10.1021/jacs.7b02561","","","0.71073","MoKα","","0.179","0.0882","","","0.1817","0.2179","","","","","","0.834","","","","has coordinates","197422","2020-10-21","18:00:00",""
"4125924","11.253","0.003","22.067","0.006","16.144","0.004","90","","109.818","0.004","90","","3771.4","1.7","100","2","100","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C42 H42 O6 P2 S2 -","- C42 H42 O6 P2 S2 -","- C168 H168 O24 P8 S8 -","4","1","","Furukawa, Shunsuke; Suda, Yuki; Kobayashi, Junji; Kawashima, Takayuki; Tada, Tomofumi; Fujii, Shintaro; Kiguchi, Manabu; Saito, Masaichi","Triphosphasumanene Trisulfide: High Out-of-Plane Anisotropy and Janus-Type π-Surfaces.","Journal of the American Chemical Society","2017","139","16","5787","5792","10.1021/jacs.6b12119","","","0.71073","MoKα","","0.1267","0.054","","","0.102","0.1259","","","","","","0.96","","","","has coordinates","197421","2020-10-21","18:00:00",""
"4125925","9.1387","0.001","20.645","0.002","28.401","0.003","90","","91.911","0.001","90","","5355.4","1","100","2","100","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C50 H47 Cl6 O6 P3 S3 -","- C50 H47 Cl6 O6 P3 S3 -","- C200 H188 Cl24 O24 P12 S12 -","4","1","","Furukawa, Shunsuke; Suda, Yuki; Kobayashi, Junji; Kawashima, Takayuki; Tada, Tomofumi; Fujii, Shintaro; Kiguchi, Manabu; Saito, Masaichi","Triphosphasumanene Trisulfide: High Out-of-Plane Anisotropy and Janus-Type π-Surfaces.","Journal of the American Chemical Society","2017","139","16","5787","5792","10.1021/jacs.6b12119","","","0.71073","MoKα","","0.0748","0.0574","","","0.1475","0.1572","","","","","","1.04","","","","has coordinates,has disorder","197421","2020-10-21","18:00:00",""
"4125926","8.3369","0.0008","15.8467","0.0015","16.1176","0.0016","113.598","0.001","100.688","0.001","90.889","0.001","1907.9","0.3","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","","","- C42 H42 O6 P2 S2 -","- C42 H42 O6 P2 S2 -","- C84 H84 O12 P4 S4 -","2","1","","Furukawa, Shunsuke; Suda, Yuki; Kobayashi, Junji; Kawashima, Takayuki; Tada, Tomofumi; Fujii, Shintaro; Kiguchi, Manabu; Saito, Masaichi","Triphosphasumanene Trisulfide: High Out-of-Plane Anisotropy and Janus-Type π-Surfaces.","Journal of the American Chemical Society","2017","139","16","5787","5792","10.1021/jacs.6b12119","","","0.71073","MoKα","","0.0367","0.032","","","0.0826","0.0854","","","","","","1.036","","","","has coordinates,has disorder","197421","2020-10-21","18:00:00",""
"4125927","12.526","0.002","5.7575","0.0009","18.983","0.003","90","","109.135","0.003","90","","1293.4","0.4","293","2","293","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C30 H29 N O3 S -","- C30 H29 N O3 S -","- C60 H58 N2 O6 S2 -","2","1","","Yang, Song; Rui, Kang-Hua; Tang, Xiang-Ying; Xu, Qin; Shi, Min","Rhodium/Silver Synergistic Catalysis in Highly Enantioselective Cycloisomerization/Cross Coupling of Keto-Vinylidenecyclopropanes with Terminal Alkynes.","Journal of the American Chemical Society","2017","139","16","5957","5964","10.1021/jacs.7b02027","","","0.71073","MoKα","","0.0591","0.0486","","","0.1096","0.1155","","","","","","1.019","","","","has coordinates","197425","2020-10-21","18:00:00",""
"4125928","9.8296","0.0013","13.4413","0.0017","22.608","0.003","90","","94.433","0.003","90","","2978.1","0.7","293","2","293","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C30 H29 N O3 S -","- C30 H29 N O3 S -","- C120 H116 N4 O12 S4 -","4","1","","Yang, Song; Rui, Kang-Hua; Tang, Xiang-Ying; Xu, Qin; Shi, Min","Rhodium/Silver Synergistic Catalysis in Highly Enantioselective Cycloisomerization/Cross Coupling of Keto-Vinylidenecyclopropanes with Terminal Alkynes.","Journal of the American Chemical Society","2017","139","16","5957","5964","10.1021/jacs.7b02027","","","0.71073","MoKα","","0.1107","0.0682","","","0.1582","0.1781","","","","","","1.042","","","","has coordinates","197425","2020-10-21","18:00:00",""
"4125929","9.3016","0.0012","12.2465","0.0015","16.041","0.002","76.176","0.003","83.628","0.003","83.184","0.003","1755.3","0.4","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C42 H41 N O4 S -","- C42 H41 N O4 S -","- C84 H82 N2 O8 S2 -","2","1","","Yang, Song; Rui, Kang-Hua; Tang, Xiang-Ying; Xu, Qin; Shi, Min","Rhodium/Silver Synergistic Catalysis in Highly Enantioselective Cycloisomerization/Cross Coupling of Keto-Vinylidenecyclopropanes with Terminal Alkynes.","Journal of the American Chemical Society","2017","139","16","5957","5964","10.1021/jacs.7b02027","","","0.71073","MoKα","","0.0917","0.0642","","","0.1573","0.176","","","","","","1.061","","","","has coordinates","197425","2020-10-21","18:00:00",""
"4125930","10.58","0.002","10.675","0.002","15.627","0.004","108.388","0.005","92.418","0.003","90.015","0.004","1673.2","0.6","298","2","298","2","","","","","","","","7","P 1","P 1","1","","","","- C34 H40 B N4 O4 P S -","- C34 H40 B N4 O4 P S -","- C68 H80 B2 N8 O8 P2 S2 -","2","2","","Lin, Yi-Chun; Hatzakis, Emmanuel; McCarthy, Sean M.; Reichl, Kyle D.; Lai, Ting-Yi; Yennawar, Hemant P.; Radosevich, Alexander T.","P-N Cooperative Borane Activation and Catalytic Hydroboration by a Distorted Phosphorous Triamide Platform.","Journal of the American Chemical Society","2017","139","16","6008","6016","10.1021/jacs.7b02512","","","0.71073","MoKα","","0.1176","0.0879","","","0.1906","0.2168","","","","","","1.111","","","","has coordinates","197423","2020-10-21","18:00:00",""
"4125931","10.8569","0.0003","7.6285","0.0002","19.3401","0.0005","90","","101.548","0.001","90","","1569.36","0.07","100","2","100","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","ST-6-181","","","- C18 H16 Cl F3 O -","- C18 H16 Cl F3 O -","- C72 H64 Cl4 F12 O4 -","4","1","","Thapa, Surendra; Basnet, Prakash; Giri, Ramesh","Copper-Catalyzed Dicarbofunctionalization of Unactivated Olefins by Tandem Cyclization/Cross-Coupling.","Journal of the American Chemical Society","2017","139","16","5700","5703","10.1021/jacs.7b01922","","","0.71073","MoKα","","0.0567","0.0499","","","0.123","0.1276","","","","","","1.063","","","","has coordinates,has disorder","197424","2020-10-21","18:00:00",""
"4125932","22.11","0.004","8.8384","0.0013","12.3459","0.0019","90","","96.987","0.006","90","","2394.7","0.7","100","2","100","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C27 H17 Cl3 F2 O4 -","- C27 H17 Cl3 F2 O4 -","- C108 H68 Cl12 F8 O16 -","4","1","","Marshall, Ross J.; Kalinovskyy, Yaroslav; Griffin, Sarah L.; Wilson, Claire; Blight, Barry A.; Forgan, Ross S.","Functional Versatility of a Series of Zr Metal-Organic Frameworks Probed by Solid-State Photoluminescence Spectroscopy.","Journal of the American Chemical Society","2017","139","17","6253","6260","10.1021/jacs.7b02184","","","0.71073","MoKα","","0.0638","0.0473","","","0.1145","0.1234","","","","","","1.067","","","","has coordinates","197407","2020-10-21","18:00:00",""
"4125933","39.8785","0.0003","39.8785","0.0003","39.8785","0.0003","90","","90","","90","","63418.6","0.8","100","2","100","2","","","","","","","","4","F d -3 m","-F 4vw 2vw 3","227","","","","- C168 H88 O32 Zr6 -","- C168 H60 O32 Zr6 -","- C1344 H480 O256 Zr48 -","8","","","Marshall, Ross J.; Kalinovskyy, Yaroslav; Griffin, Sarah L.; Wilson, Claire; Blight, Barry A.; Forgan, Ross S.","Functional Versatility of a Series of Zr Metal-Organic Frameworks Probed by Solid-State Photoluminescence Spectroscopy.","Journal of the American Chemical Society","2017","139","17","6253","6260","10.1021/jacs.7b02184","","x-ray","0.71073","MoKα","","0.1042","0.0744","","","0.2051","0.2237","","","","","","1.054","","","","has coordinates","197407","2020-10-21","18:00:00",""
"4125934","39.867","0.002","39.867","0.002","39.867","0.002","90","","90","","90","","63364","6","100","2","100","2","","","","","","","","6","F d -3 m","-F 4vw 2vw 3","227","","","","- C144 H64 Hf6 N12 O32 S6 -","- C144 H60 Hf6 N12 O32 S6 -","- C1152 H480 Hf48 N96 O256 S48 -","8","","","Marshall, Ross J.; Kalinovskyy, Yaroslav; Griffin, Sarah L.; Wilson, Claire; Blight, Barry A.; Forgan, Ross S.","Functional Versatility of a Series of Zr Metal-Organic Frameworks Probed by Solid-State Photoluminescence Spectroscopy.","Journal of the American Chemical Society","2017","139","17","6253","6260","10.1021/jacs.7b02184","","x-ray","0.71073","MoKα","","0.0793","0.0427","","","0.1058","0.1192","","","","","","1.02","","","","has coordinates,has disorder","197407","2020-10-21","18:00:00",""
"4125935","39.8364","0.0002","39.8364","0.0002","39.8364","0.0002","90","","90","","90","","63217.9","0.5","100","2","100","2","","","","","","","","5","F d -3 m","-F 4vw 2vw 3","227","","","","- C144 H64 F12 O32 Zr6 -","- C144 H60 F12 O32 Zr6 -","- C1152 H480 F96 O256 Zr48 -","8","","","Marshall, Ross J.; Kalinovskyy, Yaroslav; Griffin, Sarah L.; Wilson, Claire; Blight, Barry A.; Forgan, Ross S.","Functional Versatility of a Series of Zr Metal-Organic Frameworks Probed by Solid-State Photoluminescence Spectroscopy.","Journal of the American Chemical Society","2017","139","17","6253","6260","10.1021/jacs.7b02184","","x-ray","0.71073","MoKα","","0.0679","0.0562","","","0.1434","0.1511","","","","","","1.077","","","","has coordinates,has disorder","197407","2020-10-21","18:00:00",""
"4125936","39.7405","0.0002","39.7405","0.0002","39.7405","0.0002","90","","90","","90","","62762.5","0.5","100","2","100","2","","","","","","","","5","F d -3 m","-F 4vw 2vw 3","227","","","","- C144 H64 F12 Hf6 O32 -","- C144 H60 F12 Hf6 O32 -","- C1152 H480 F96 Hf48 O256 -","8","","","Marshall, Ross J.; Kalinovskyy, Yaroslav; Griffin, Sarah L.; Wilson, Claire; Blight, Barry A.; Forgan, Ross S.","Functional Versatility of a Series of Zr Metal-Organic Frameworks Probed by Solid-State Photoluminescence Spectroscopy.","Journal of the American Chemical Society","2017","139","17","6253","6260","10.1021/jacs.7b02184","","x-ray","0.71073","MoKα","","0.0536","0.0429","","","0.0962","0.1009","","","","","","1.056","","","","has coordinates,has disorder","197407","2020-10-21","18:00:00",""
"4125937","28.151","0.0002","28.1718","0.0003","39.9493","0.0004","90","","90","","90","","31682.4","0.5","99.9","0.4","99.9","0.4","","","","","","","","4","I m m a","-I 2b 2","74","","","","- C156 H96 O32 Zr6 -","- C156 H92 O32 Zr6 -","- C624 H368 O128 Zr24 -","4","0.25","","Marshall, Ross J.; Kalinovskyy, Yaroslav; Griffin, Sarah L.; Wilson, Claire; Blight, Barry A.; Forgan, Ross S.","Functional Versatility of a Series of Zr Metal-Organic Frameworks Probed by Solid-State Photoluminescence Spectroscopy.","Journal of the American Chemical Society","2017","139","17","6253","6260","10.1021/jacs.7b02184","","x-ray","1.54184","CuKα","","0.0938","0.0886","","","0.2499","0.2547","","","","","","1.048","","","","has coordinates","197407","2020-10-21","18:00:00",""
"4125938","39.7709","0.0002","39.7709","0.0002","39.7709","0.0002","90","","90","","90","","62906.6","0.5","100","2","100","2","","","","","","","","5","F d -3 m","-F 4vw 2vw 3","227","","","","- C144 H64 F12 Hf6 O32 -","- C144 H60 F12 Hf6 O32 -","- C1152 H480 F96 Hf48 O256 -","8","","","Marshall, Ross J.; Kalinovskyy, Yaroslav; Griffin, Sarah L.; Wilson, Claire; Blight, Barry A.; Forgan, Ross S.","Functional Versatility of a Series of Zr Metal-Organic Frameworks Probed by Solid-State Photoluminescence Spectroscopy.","Journal of the American Chemical Society","2017","139","17","6253","6260","10.1021/jacs.7b02184","","x-ray","0.71073","MoKα","","0.0643","0.0517","","","0.1215","0.1269","","","","","","1.112","","","","has coordinates,has disorder","197407","2020-10-21","18:00:00",""
"4125939","43.847","0.0008","7.6507","0.0001","16.1916","0.0003","90","","97.673","0.002","90","","5383","0.16","291","2","291","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C26 H32 B N3 O4 S -","- C26 H32 B N3 O4 S -","- C208 H256 B8 N24 O32 S8 -","8","1","","Ren, Shi-Chao; Zhang, Feng-Lian; Qi, Jing; Huang, Yun-Shuai; Xu, Ai-Qing; Yan, Hong-Yi; Wang, Yi-Feng","Radical Borylation/Cyclization Cascade of 1,6-Enynes for the Synthesis of Boron-Handled Hetero- and Carbocycles.","Journal of the American Chemical Society","2017","139","17","6050","6053","10.1021/jacs.7b01889","","","1.54184","CuKα","","0.0904","0.0708","","","0.1931","0.2084","","","","","","1.071","","","","has coordinates","197408","2020-10-21","18:00:00",""
"4125940","9.4659","0.0001","8.507","0.0001","16.685","0.0002","90","","104.068","0.001","90","","1303.29","0.03","292","2","292","2","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C27 H34 B N3 O2 S -","- C27 H34 B N3 O2 S -","- C54 H68 B2 N6 O4 S2 -","2","1","","Ren, Shi-Chao; Zhang, Feng-Lian; Qi, Jing; Huang, Yun-Shuai; Xu, Ai-Qing; Yan, Hong-Yi; Wang, Yi-Feng","Radical Borylation/Cyclization Cascade of 1,6-Enynes for the Synthesis of Boron-Handled Hetero- and Carbocycles.","Journal of the American Chemical Society","2017","139","17","6050","6053","10.1021/jacs.7b01889","","","1.54184","CuKα","","0.0447","0.0441","","","0.1281","0.1291","","","","","","1.075","","","","has coordinates","197408","2020-10-21","18:00:00",""
"4125941","14.0382","0.0004","18.4396","0.0006","22.5599","0.0007","90","","105.851","0.002","90","","5617.8","0.3","103","2","103","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C24 H30 B N3 O2 S -","- C24 H30 B N3 O2 S -","- C192 H240 B8 N24 O16 S8 -","8","1","","Ren, Shi-Chao; Zhang, Feng-Lian; Qi, Jing; Huang, Yun-Shuai; Xu, Ai-Qing; Yan, Hong-Yi; Wang, Yi-Feng","Radical Borylation/Cyclization Cascade of 1,6-Enynes for the Synthesis of Boron-Handled Hetero- and Carbocycles.","Journal of the American Chemical Society","2017","139","17","6050","6053","10.1021/jacs.7b01889","","","1.54178","CuKα","","0.0774","0.0632","","","0.1669","0.1779","","","","","","1.001","","","","has coordinates,has disorder","197408","2020-10-21","18:00:00",""
"4125942","23.0722","0.0001","23.0722","0.0001","18.8821","0.0002","90","","90","","90","","10051.4","0.12","173","2","173","2","","","","","","","","6","P 42/m m c","-P 4c 2","131","LIFM-76","","","- C99 H48 F24 N2 O32 Zr6 -","- C99 H48 F24 N2 O32 Zr6 -","- C198 H96 F48 N4 O64 Zr12 -","2","0.125","","Chen, Cheng-Xia; Wei, Zhang-Wen; Jiang, Ji-Jun; Zheng, Shao-Ping; Wang, Hai-Ping; Qiu, Qian-Feng; Cao, Chen-Chen; Fenske, Dieter; Su, Cheng-Yong","Dynamic Spacer Installation for Multi-role MOFs: A New Direc-tion toward Multifunctional MOFs Achieving Ultrahigh Me-thane Storage Working Capacity.","Journal of the American Chemical Society","2017","","","","","10.1021/jacs.7b01320","","","1.54184","CuKα","","0.064","0.0575","","","0.1807","0.1879","","","","","","1.091","","","","has coordinates,has disorder","195575","2020-10-21","18:00:00",""
"4125943","23.0978","0.0002","23.0978","0.0002","18.8599","0.0005","90","","90","","90","","10061.9","0.3","173","2","173","2","","","","","","","","5","P 42/m m c","-P 4c 2","131","LIFM-74","","","- C99 H46 F24 O34 Zr6 -","- C99 H46 F24 O34 Zr6 -","- C198 H92 F48 O68 Zr12 -","2","0.125","","Chen, Cheng-Xia; Wei, Zhang-Wen; Jiang, Ji-Jun; Zheng, Shao-Ping; Wang, Hai-Ping; Qiu, Qian-Feng; Cao, Chen-Chen; Fenske, Dieter; Su, Cheng-Yong","Dynamic Spacer Installation for Multi-role MOFs: A New Direc-tion toward Multifunctional MOFs Achieving Ultrahigh Me-thane Storage Working Capacity.","Journal of the American Chemical Society","2017","","","","","10.1021/jacs.7b01320","","","1.54178","CuKα","","0.093","0.0762","","","0.2129","0.2248","","","","","","1.072","","","","has coordinates,has disorder","195576","2020-10-21","18:00:00",""
"4125944","23.05","0.0002","23.05","0.0002","18.8368","0.0003","90","","90","","90","","10008","0.2","173","2","173","2","","","","","","","","6","P 42/m m c","-P 4c 2","131","LIFM-75","","","- C98 H45 F24 N O34 Zr6 -","- C98 H45 F24 N O34 Zr6 -","- C196 H90 F48 N2 O68 Zr12 -","2","0.125","","Chen, Cheng-Xia; Wei, Zhang-Wen; Jiang, Ji-Jun; Zheng, Shao-Ping; Wang, Hai-Ping; Qiu, Qian-Feng; Cao, Chen-Chen; Fenske, Dieter; Su, Cheng-Yong","Dynamic Spacer Installation for Multi-role MOFs: A New Direc-tion toward Multifunctional MOFs Achieving Ultrahigh Me-thane Storage Working Capacity.","Journal of the American Chemical Society","2017","","","","","10.1021/jacs.7b01320","","","1.54178","CuKα","","0.0932","0.0742","","","0.2185","0.235","","","","","","1.069","","","","has coordinates,has disorder","195577","2020-10-21","18:00:00",""
"4125945","23.0716","0.0002","23.0716","0.0002","18.8222","0.0003","90","","90","","90","","10019","0.2","173","2","173","2","","","","","","","","6","P 42/m m c","-P 4c 2","131","LIFM-77","","","- C98 H47 F24 N3 O32 Zr6 -","- C98 H47 F24 N3 O32 Zr6 -","- C196 H94 F48 N6 O64 Zr12 -","2","0.125","","Chen, Cheng-Xia; Wei, Zhang-Wen; Jiang, Ji-Jun; Zheng, Shao-Ping; Wang, Hai-Ping; Qiu, Qian-Feng; Cao, Chen-Chen; Fenske, Dieter; Su, Cheng-Yong","Dynamic Spacer Installation for Multi-role MOFs: A New Direc-tion toward Multifunctional MOFs Achieving Ultrahigh Me-thane Storage Working Capacity.","Journal of the American Chemical Society","2017","","","","","10.1021/jacs.7b01320","","","1.54184","CuKα","","0.072","0.0619","","","0.1985","0.2141","","","","","","1.082","","","","has coordinates,has disorder","195578","2020-10-21","18:00:00",""
"4125946","23.0922","0.0001","23.0922","0.0001","18.8684","0.0002","90","","90","","90","","10061.6","0.12","173","2","173","2","","","","","","","","6","P 42/m m c","-P 4c 2","131","LIFM-79","","","- C98 H46 F24 N2 O32 Zr6 -","- C98 H47 F24 N2 O32 Zr6 -","- C196 H94 F48 N4 O64 Zr12 -","2","0.125","","Chen, Cheng-Xia; Wei, Zhang-Wen; Jiang, Ji-Jun; Zheng, Shao-Ping; Wang, Hai-Ping; Qiu, Qian-Feng; Cao, Chen-Chen; Fenske, Dieter; Su, Cheng-Yong","Dynamic Spacer Installation for Multi-role MOFs: A New Direc-tion toward Multifunctional MOFs Achieving Ultrahigh Me-thane Storage Working Capacity.","Journal of the American Chemical Society","2017","","","","","10.1021/jacs.7b01320","","","1.54178","CuKα","","0.0602","0.0535","","","0.172","0.1772","","","","","","1.107","","","","has coordinates,has disorder","195579","2020-10-21","18:00:00",""
"4125947","23.1592","0.0002","23.1592","0.0002","18.7447","0.0003","90","","90","","90","","10053.7","0.2","173","2","173","2","","","","","","","","6","P 42/m m c","-P 4c 2","131","LIFM-80","","","- C96 H43 F24 N3 O32 Zr6 -","- C96 H43 F24 N3 O32 Zr6 -","- C192 H86 F48 N6 O64 Zr12 -","2","0.125","","Chen, Cheng-Xia; Wei, Zhang-Wen; Jiang, Ji-Jun; Zheng, Shao-Ping; Wang, Hai-Ping; Qiu, Qian-Feng; Cao, Chen-Chen; Fenske, Dieter; Su, Cheng-Yong","Dynamic Spacer Installation for Multi-role MOFs: A New Direc-tion toward Multifunctional MOFs Achieving Ultrahigh Me-thane Storage Working Capacity.","Journal of the American Chemical Society","2017","","","","","10.1021/jacs.7b01320","","","1.54178","CuKα","","0.0939","0.0733","","","0.1907","0.206","","","","","","1.069","","","","has coordinates,has disorder","195580","2020-10-21","18:00:00",""
"4125948","23.0991","0.0002","23.0991","0.0002","18.8485","0.0004","90","","90","","90","","10057","0.2","173","2","173","2","","","","","","","","5","P 42/m m c","-P 4c 2","131","LIFM-70","","","- C102 H46 F30 O32 Zr6 -","- C102 H46 F30 O32 Zr6 -","- C204 H92 F60 O64 Zr12 -","2","0.125","","Chen, Cheng-Xia; Wei, Zhang-Wen; Jiang, Ji-Jun; Zheng, Shao-Ping; Wang, Hai-Ping; Qiu, Qian-Feng; Cao, Chen-Chen; Fenske, Dieter; Su, Cheng-Yong","Dynamic Spacer Installation for Multi-role MOFs: A New Direc-tion toward Multifunctional MOFs Achieving Ultrahigh Me-thane Storage Working Capacity.","Journal of the American Chemical Society","2017","","","","","10.1021/jacs.7b01320","","","1.54178","CuKα","","0.0992","0.0889","","","0.2661","0.2846","","","","","","1.244","","","","has coordinates,has disorder","195581","2020-10-21","18:00:00",""
"4125949","23.126","0.0001","23.126","0.0001","18.8542","0.0002","90","","90","","90","","10083.5","0.12","173","2","173","2","","","","","","","","6","P 42/m m c","-P 4c 2","131","LIFM-72","","","- C100 H43 F30 N O32 Zr6 -","- C100 H43 F30 N O32 Zr6 -","- C200 H86 F60 N2 O64 Zr12 -","2","0.125","","Chen, Cheng-Xia; Wei, Zhang-Wen; Jiang, Ji-Jun; Zheng, Shao-Ping; Wang, Hai-Ping; Qiu, Qian-Feng; Cao, Chen-Chen; Fenske, Dieter; Su, Cheng-Yong","Dynamic Spacer Installation for Multi-role MOFs: A New Direc-tion toward Multifunctional MOFs Achieving Ultrahigh Me-thane Storage Working Capacity.","Journal of the American Chemical Society","2017","","","","","10.1021/jacs.7b01320","","","1.54184","CuKα","","0.0664","0.0582","","","0.1822","0.1927","","","","","","1.04","","","","has coordinates,has disorder","195582","2020-10-21","18:00:00",""
"4125950","23.0135","0.0003","23.0135","0.0003","18.9024","0.0006","90","","90","","90","","10011.1","0.4","173","2","173","2","","","","","","","","5","P 42/m m c","-P 4c 2","131","LIFM-83","","","- C100 H48 F24 O32 Zr6 -","- C100 H48 F24 O32 Zr6 -","- C200 H96 F48 O64 Zr12 -","2","0.125","","Chen, Cheng-Xia; Wei, Zhang-Wen; Jiang, Ji-Jun; Zheng, Shao-Ping; Wang, Hai-Ping; Qiu, Qian-Feng; Cao, Chen-Chen; Fenske, Dieter; Su, Cheng-Yong","Dynamic Spacer Installation for Multi-role MOFs: A New Direc-tion toward Multifunctional MOFs Achieving Ultrahigh Me-thane Storage Working Capacity.","Journal of the American Chemical Society","2017","","","","","10.1021/jacs.7b01320","","","1.54184","CuKα","","0.112","0.0859","","","0.2546","0.2768","","","","","","1.073","","","","has coordinates,has disorder","195583","2020-10-21","18:00:00",""
"4125951","23.1163","0.0003","23.1163","0.0003","18.789","0.0013","90","","90","","90","","10040.2","0.7","173","2","173","2","","","","","","","","5","P 42/m m c","-P 4c 2","131","LIFM-86","","","- C100 H40 F32 O32 Zr6 -","- C100 H40 F32 O32 Zr6 -","- C200 H80 F64 O64 Zr12 -","2","0.125","","Chen, Cheng-Xia; Wei, Zhang-Wen; Jiang, Ji-Jun; Zheng, Shao-Ping; Wang, Hai-Ping; Qiu, Qian-Feng; Cao, Chen-Chen; Fenske, Dieter; Su, Cheng-Yong","Dynamic Spacer Installation for Multi-role MOFs: A New Direc-tion toward Multifunctional MOFs Achieving Ultrahigh Me-thane Storage Working Capacity.","Journal of the American Chemical Society","2017","","","","","10.1021/jacs.7b01320","","","1.54178","CuKα","","0.1459","0.1155","","","0.3083","0.3374","","","","","","1.065","","","","has coordinates,has disorder","195584","2020-10-21","18:00:00",""
"4125952","23.0639","0.0001","23.0639","0.0001","18.8246","0.0003","90","","90","","90","","10013.6","0.17","173","2","173","2","","","","","","","","5","P 42/m m c","-P 4c 2","131","LIFM-82","","","- C101 H50 F24 O32 Zr6 -","- C101 H50 F24 O32 Zr6 -","- C202 H100 F48 O64 Zr12 -","2","0.125","","Chen, Cheng-Xia; Wei, Zhang-Wen; Jiang, Ji-Jun; Zheng, Shao-Ping; Wang, Hai-Ping; Qiu, Qian-Feng; Cao, Chen-Chen; Fenske, Dieter; Su, Cheng-Yong","Dynamic Spacer Installation for Multi-role MOFs: A New Direc-tion toward Multifunctional MOFs Achieving Ultrahigh Me-thane Storage Working Capacity.","Journal of the American Chemical Society","2017","","","","","10.1021/jacs.7b01320","","","1.54178","CuKα","","0.0978","0.0755","","","0.2221","0.2412","","","","","","1.049","","","","has coordinates,has disorder","195585","2020-10-21","18:00:00",""
"4125953","23.1271","0.0003","23.1271","0.0003","18.7459","0.0005","90","","90","","90","","10026.5","0.3","173","2","173","2","","","","","","","","6","P 42/m m c","-P 4c 2","131","LIFM-84","","","- C97 H44 F24 N2 O33 Zr6 -","- C97 H44 F24 N2 O33 Zr6 -","- C194 H88 F48 N4 O66 Zr12 -","2","0.125","","Chen, Cheng-Xia; Wei, Zhang-Wen; Jiang, Ji-Jun; Zheng, Shao-Ping; Wang, Hai-Ping; Qiu, Qian-Feng; Cao, Chen-Chen; Fenske, Dieter; Su, Cheng-Yong","Dynamic Spacer Installation for Multi-role MOFs: A New Direc-tion toward Multifunctional MOFs Achieving Ultrahigh Me-thane Storage Working Capacity.","Journal of the American Chemical Society","2017","","","","","10.1021/jacs.7b01320","","","1.54178","CuKα","","0.0881","0.0692","","","0.1876","0.1992","","","","","","1.088","","","","has coordinates,has disorder","195586","2020-10-21","18:00:00",""
"4125954","23.1014","0.0001","23.1014","0.0001","18.8999","0.0003","90","","90","","90","","10086.4","0.17","173","2","173","2","","","","","","","","6","P 42/m m c","-P 4c 2","131","LIFM-78","","","- C100 H49 F24 N O32 Zr6 -","- C100 H49 F24 N O32 Zr6 -","- C200 H98 F48 N2 O64 Zr12 -","2","0.125","","Chen, Cheng-Xia; Wei, Zhang-Wen; Jiang, Ji-Jun; Zheng, Shao-Ping; Wang, Hai-Ping; Qiu, Qian-Feng; Cao, Chen-Chen; Fenske, Dieter; Su, Cheng-Yong","Dynamic Spacer Installation for Multi-role MOFs: A New Direc-tion toward Multifunctional MOFs Achieving Ultrahigh Me-thane Storage Working Capacity.","Journal of the American Chemical Society","2017","","","","","10.1021/jacs.7b01320","","","1.54178","CuKα","","0.064","0.0566","","","0.1826","0.1916","","","","","","1.124","","","","has coordinates,has disorder","195587","2020-10-21","18:00:00",""
"4125955","34.9195","0.0003","34.9195","0.0003","12.0592","0.0001","90","","90","","90","","14704.6","0.2","173","2","173","2","","","","","","","","5","P 42/n c m","-P 4ac 2ac","138","LIFM-28np","","","- C64 H24 F24 O32 Zr6 -","- C64 H24 F24 O32 Zr6 -","- C256 H96 F96 O128 Zr24 -","4","","","Chen, Cheng-Xia; Wei, Zhang-Wen; Jiang, Ji-Jun; Zheng, Shao-Ping; Wang, Hai-Ping; Qiu, Qian-Feng; Cao, Chen-Chen; Fenske, Dieter; Su, Cheng-Yong","Dynamic Spacer Installation for Multi-role MOFs: A New Direc-tion toward Multifunctional MOFs Achieving Ultrahigh Me-thane Storage Working Capacity.","Journal of the American Chemical Society","2017","","","","","10.1021/jacs.7b01320","","","1.54184","CuKα","","0.0922","0.0883","","","0.2443","0.2476","","","","","","1.083","","","","has coordinates,has disorder","195588","2020-10-21","18:00:00",""
"4125956","24.2603","0.0003","24.2603","0.0003","15.1465","0.0006","90","","90","","90","","8914.7","0.4","173","2","173","2","","","","","","","","5","P 42/m m c","-P 4c 2","131","LIFM-28lp","","","- C64 H24 F24 O32 Zr6 -","- C64 H24 F24 O32 Zr6 -","- C128 H48 F48 O64 Zr12 -","2","0.125","","Chen, Cheng-Xia; Wei, Zhang-Wen; Jiang, Ji-Jun; Zheng, Shao-Ping; Wang, Hai-Ping; Qiu, Qian-Feng; Cao, Chen-Chen; Fenske, Dieter; Su, Cheng-Yong","Dynamic Spacer Installation for Multi-role MOFs: A New Direc-tion toward Multifunctional MOFs Achieving Ultrahigh Me-thane Storage Working Capacity.","Journal of the American Chemical Society","2017","","","","","10.1021/jacs.7b01320","","","1.54184","CuKα","","0.0911","0.0836","","","0.247","0.253","","","","","","1.104","","","","has coordinates,has disorder","195589","2020-10-21","18:00:00",""
"4125957","23.0855","0.0002","23.0855","0.0002","18.8784","0.0002","90","","90","","90","","10061.1","0.16","173","2","173","2","","","","","","","","6","P 42/m m c","-P 4c 2","131","LIFM-85","","","- C99 H46 F24 N4 O32 Zr6 -","- C99 H46 F24 N4 O32 Zr6 -","- C198 H92 F48 N8 O64 Zr12 -","2","0.125","","Chen, Cheng-Xia; Wei, Zhang-Wen; Jiang, Ji-Jun; Zheng, Shao-Ping; Wang, Hai-Ping; Qiu, Qian-Feng; Cao, Chen-Chen; Fenske, Dieter; Su, Cheng-Yong","Dynamic Spacer Installation for Multi-role MOFs: A New Direc-tion toward Multifunctional MOFs Achieving Ultrahigh Me-thane Storage Working Capacity.","Journal of the American Chemical Society","2017","","","","","10.1021/jacs.7b01320","","","1.54184","CuKα","","0.0735","0.0612","","","0.1843","0.1979","","","","","","1.085","","","","has coordinates,has disorder","195590","2020-10-21","18:00:00",""
"4125958","23.1172","0.0002","23.1172","0.0002","18.7584","0.0002","90","","90","","90","","10024.6","0.16","173","2","173","2","","","","","","","","8","P 42/m m c","-P 4c 2","131","LIFM-81","","","- C97 H44 Cl2 F24 N2 O32 Pd Zr6 -","- C97 H44 Cl2 F24.004 N2 O32 Pd Zr6 -","- C194 H88 Cl4 F48.008 N4 O64 Pd2 Zr12 -","2","0.125","","Chen, Cheng-Xia; Wei, Zhang-Wen; Jiang, Ji-Jun; Zheng, Shao-Ping; Wang, Hai-Ping; Qiu, Qian-Feng; Cao, Chen-Chen; Fenske, Dieter; Su, Cheng-Yong","Dynamic Spacer Installation for Multi-role MOFs: A New Direc-tion toward Multifunctional MOFs Achieving Ultrahigh Me-thane Storage Working Capacity.","Journal of the American Chemical Society","2017","","","","","10.1021/jacs.7b01320","","","1.54184","CuKα","","0.09","0.0809","","","0.2326","0.245","","","","","","1.059","","","","has coordinates,has disorder","195591","2020-10-21","18:00:00",""
"4125959","23.1129","0.0001","23.1129","0.0001","18.8598","0.0004","90","","90","","90","","10075","0.2","173","2","173","2","","","","","","","","5","P 42/m m c","-P 4c 2","131","LIFM-71","","","- C101 H44 F30 O32 Zr6 -","- C101 H44 F30 O32 Zr6 -","- C202 H88 F60 O64 Zr12 -","2","0.125","","Chen, Cheng-Xia; Wei, Zhang-Wen; Jiang, Ji-Jun; Zheng, Shao-Ping; Wang, Hai-Ping; Qiu, Qian-Feng; Cao, Chen-Chen; Fenske, Dieter; Su, Cheng-Yong","Dynamic Spacer Installation for Multi-role MOFs: A New Direc-tion toward Multifunctional MOFs Achieving Ultrahigh Me-thane Storage Working Capacity.","Journal of the American Chemical Society","2017","","","","","10.1021/jacs.7b01320","","","1.54178","CuKα","","0.075","0.0669","","","0.207","0.215","","","","","","1.056","","","","has coordinates,has disorder","195592","2020-10-21","18:00:00",""
"4125960","23.0984","0.0002","23.0984","0.0002","18.8777","0.0004","90","","90","","90","","10071.9","0.2","173","2","173","2","","","","","","","","5","P 42/m m c","-P 4c 2","131","LIFM-73","","","- C98 H42 F26 O34 Zr6 -","- C98 H42 F26 O34 Zr6 -","- C196 H84 F52 O68 Zr12 -","2","0.125","","Chen, Cheng-Xia; Wei, Zhang-Wen; Jiang, Ji-Jun; Zheng, Shao-Ping; Wang, Hai-Ping; Qiu, Qian-Feng; Cao, Chen-Chen; Fenske, Dieter; Su, Cheng-Yong","Dynamic Spacer Installation for Multi-role MOFs: A New Direc-tion toward Multifunctional MOFs Achieving Ultrahigh Me-thane Storage Working Capacity.","Journal of the American Chemical Society","2017","","","","","10.1021/jacs.7b01320","","","1.54178","CuKα","","0.0871","0.0726","","","0.2161","0.2304","","","","","","1.085","","","","has coordinates,has disorder","195593","2020-10-21","18:00:00",""
"4125961","13.444","0.002","8.2879","0.0009","9.681","0.0018","90","","110.73","0.02","90","","1008.8","0.3","293","2","293.15","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C11 H11 Br O2 -","- C11 H11 Br O2 -","- C44 H44 Br4 O8 -","4","1","","He, Chi; Hu, Jialei; Wu, Yubing; Ding, Hanfeng","Total Syntheses of Highly Oxidized ent-Kaurenoids Pharicin A, Pharicinin B, 7-O-Acetylpseurata C, and Pseurata C: A [5+2] Cascade Approach.","Journal of the American Chemical Society","2017","139","17","6098","6101","10.1021/jacs.7b02746","","","0.71073","MoKα","","0.0805","0.0513","","","0.1227","0.1406","","","","","","1.03","","","","has coordinates,has disorder","197410","2020-10-21","18:00:00",""
"4125962","15.833","0.0003","12.9988","0.0003","8.5257","0.0002","90","","90","","90","","1754.67","0.07","85","2","85","2","","","","","","","","5","P n m a","-P 2ac 2n","62","","","","- C19 H12 F8 N2 Ni -","- C19 H12 F8 N2 Ni -","- C76 H48 F32 N8 Ni4 -","4","0.5","","Chong, Eugene; Kampf, Jeff W.; Ariafard, Alireza; Canty, Allan J.; Sanford, Melanie S.","Oxidatively Induced C-H Activation at High Valent Nickel.","Journal of the American Chemical Society","2017","139","17","6058","6061","10.1021/jacs.7b02387","","","1.54184","CuKα","","0.0407","0.0391","","","0.1074","0.109","","","","","","1.085","","","","has coordinates,has disorder","197411","2020-10-21","18:00:00",""
"4125963","9.0564","0.0001","12.6333","0.0002","15.3327","0.0002","90","","90.629","0.001","90","","1754.14","0.04","85","2","85","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C19 H13 F7 N2 Ni -","- C19 H13 F7 N2 Ni -","- C76 H52 F28 N8 Ni4 -","4","1","","Chong, Eugene; Kampf, Jeff W.; Ariafard, Alireza; Canty, Allan J.; Sanford, Melanie S.","Oxidatively Induced C-H Activation at High Valent Nickel.","Journal of the American Chemical Society","2017","139","17","6058","6061","10.1021/jacs.7b02387","","","1.54184","CuKα","","0.0393","0.0378","","","0.1089","0.1113","","","","","","1.022","","","","has coordinates","197411","2020-10-21","18:00:00",""
"4125964","9.1223","0.0002","9.8603","0.0002","24.6912","0.0005","94.181","0.002","95.644","0.002","117.241","0.002","1947.51","0.08","85","2","85","2","","","","","","","","6","P -1","-P 1","2","","","","- C20 H15 F7 N2 Ni O -","- C20 H15 F7 N2 Ni O -","- C80 H60 F28 N8 Ni4 O4 -","4","2","","Chong, Eugene; Kampf, Jeff W.; Ariafard, Alireza; Canty, Allan J.; Sanford, Melanie S.","Oxidatively Induced C-H Activation at High Valent Nickel.","Journal of the American Chemical Society","2017","139","17","6058","6061","10.1021/jacs.7b02387","","","1.54184","CuKα","","0.0361","0.0358","","","0.0944","0.0947","","","","","","1.091","","","","has coordinates,has disorder","197411","2020-10-21","18:00:00",""
"4125965","17.458","0.003","10.2043","0.0019","34.253","0.006","90","0.01","80.248","0.009","90","0.009","6013.9","1.9","100","2","100","2","","","","","","","","5","P 1 2/n 1","-P 2yac","13","nss017","ThCl(BIMA)3","","- C24 H51 Cl N6 Th -","- C24 H51 Cl N6 Th -","- C192 H408 Cl8 N48 Th8 -","8","2","","Settineri, Nicholas S.; Garner, Mary E.; Arnold, John","A Thorium Chalcogenolate Series Generated by Atom Insertion into Thorium-Carbon Bonds.","Journal of the American Chemical Society","2017","139","17","6261","6269","10.1021/jacs.7b02356","","","0.71073","MoKα","","0.0476","0.0403","","","0.0961","0.099","","","","","","1.153","","","","has coordinates","197412","2020-10-21","18:00:00",""
"4125966","11.8539","0.0005","16.0933","0.0007","18.569","0.0009","90","","99.3271","0.0011","90","","3495.5","0.3","100","2","100","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","nss033","Th(CH2SiMe3)(BIMA)3","","- C28 H62 N6 Si Th -","- C28 H62 N6 Si Th -","- C112 H248 N24 Si4 Th4 -","4","1","","Settineri, Nicholas S.; Garner, Mary E.; Arnold, John","A Thorium Chalcogenolate Series Generated by Atom Insertion into Thorium-Carbon Bonds.","Journal of the American Chemical Society","2017","139","17","6261","6269","10.1021/jacs.7b02356","","","0.71073","MoKα","","0.025","0.0235","","","0.0528","0.0534","","","","","","1.161","","","","has coordinates","197412","2020-10-21","18:00:00",""
"4125967","9.491","0.0003","10.5346","0.0004","17.7484","0.0006","84.9754","0.0016","75.7195","0.0014","70.321","0.0014","1619.26","0.1","100","2","100","2","","","","","","","","5","P -1","-P 1","2","nss048","Th(OCH2NMe2)(BIMA)3","","- C27 H59 N7 O Th -","- C27 H59 N7 O Th -","- C54 H118 N14 O2 Th2 -","2","1","","Settineri, Nicholas S.; Garner, Mary E.; Arnold, John","A Thorium Chalcogenolate Series Generated by Atom Insertion into Thorium-Carbon Bonds.","Journal of the American Chemical Society","2017","139","17","6261","6269","10.1021/jacs.7b02356","","","0.71073","MoKα","","0.0159","0.015","","","0.0321","0.0324","","","","","","1.109","","","","has coordinates","197412","2020-10-21","18:00:00",""
"4125968","10.868","0.0008","16.4185","0.0013","20.9253","0.0017","90","","103.045","0.003","90","","3637.5","0.5","100","2","100","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","nss051","Th(SCH2SiMe3)(BIMA)3","","- C28 H62 N6 S Si Th -","- C28 H62 N6 S Si Th -","- C112 H248 N24 S4 Si4 Th4 -","4","1","","Settineri, Nicholas S.; Garner, Mary E.; Arnold, John","A Thorium Chalcogenolate Series Generated by Atom Insertion into Thorium-Carbon Bonds.","Journal of the American Chemical Society","2017","139","17","6261","6269","10.1021/jacs.7b02356","","","0.71073","MoKα","","0.0182","0.0164","","","0.033","0.0336","","","","","","1.173","","","","has coordinates","197412","2020-10-21","18:00:00",""
"4125969","11.3345","0.001","18.1535","0.0017","18.6885","0.0017","90","","101.817","0.004","90","","3763.9","0.6","100","2","100","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","nss053","Th(SSCH2SiMe3)(BIMA)3","","- C28 H62 N6 S2 Si Th -","- C28 H62 N6 S2 Si Th -","- C112 H248 N24 S8 Si4 Th4 -","4","1","","Settineri, Nicholas S.; Garner, Mary E.; Arnold, John","A Thorium Chalcogenolate Series Generated by Atom Insertion into Thorium-Carbon Bonds.","Journal of the American Chemical Society","2017","139","17","6261","6269","10.1021/jacs.7b02356","","","0.71073","MoKα","","0.0174","0.0157","","","0.0351","0.0359","","","","","","1.077","","","","has coordinates","197412","2020-10-21","18:00:00",""
"4125970","11.1273","0.0004","16.9733","0.0006","19.4029","0.0007","90","","99.5","0.002","90","","3614.3","0.2","100","2","100","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","nss047","Th(SeCH2SiMe3)(BIMA)3","","- C28 H62 N6 Se Si Th -","- C28 H62 N6 Se Si Th -","- C112 H248 N24 Se4 Si4 Th4 -","4","1","","Settineri, Nicholas S.; Garner, Mary E.; Arnold, John","A Thorium Chalcogenolate Series Generated by Atom Insertion into Thorium-Carbon Bonds.","Journal of the American Chemical Society","2017","139","17","6261","6269","10.1021/jacs.7b02356","","","0.71073","MoKα","","0.0435","0.0306","","","0.0652","0.0698","","","","","","1.095","","","","has coordinates","197412","2020-10-21","18:00:00",""
"4125971","13.6129","0.0005","16.3848","0.0006","17.5895","0.0007","105.022","0.0018","90.6966","0.0018","104.733","0.0017","3651.8","0.2","100","2","100","2","","","","","","","","6","P -1","-P 1","2","nss045","Th(TeCH2SiMe3)(BIMA)3","","- C28 H62 N6 Si Te Th -","- C28 H62 N6 Si Te Th -","- C112 H248 N24 Si4 Te4 Th4 -","4","2","","Settineri, Nicholas S.; Garner, Mary E.; Arnold, John","A Thorium Chalcogenolate Series Generated by Atom Insertion into Thorium-Carbon Bonds.","Journal of the American Chemical Society","2017","139","17","6261","6269","10.1021/jacs.7b02356","","","0.71073","MoKα","","0.0341","0.0293","","","0.0669","0.0688","","","","","","1.151","","","","has coordinates","197412","2020-10-21","18:00:00",""
"4125972","14.657","0.003","10.662","0.0017","15.613","0.003","90","","108.866","0.008","90","","2308.8","0.8","273","","273","","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C31 H23 O2 P -","- C31 H23 O2 P -","- C124 H92 O8 P4 -","4","1","","Unoh, Yuto; Hirano, Koji; Miura, Masahiro","Metal-Free Electrophilic Phosphination/Cyclization of Alkynes.","Journal of the American Chemical Society","2017","139","17","6106","6109","10.1021/jacs.7b02977","","","0.71075","MoKα","","0.112","0.0677","","","0.1369","0.1599","","","","","","1.093","","","","has coordinates","197413","2020-10-21","18:00:00",""
"4125973","6.033","0.005","20.61","0.017","16.555","0.014","90","","97.135","0.009","90","","2043","3","173","","173","","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C27 H19 O3 P -","- C27 H19 O3 P -","- C108 H76 O12 P4 -","4","1","","Unoh, Yuto; Hirano, Koji; Miura, Masahiro","Metal-Free Electrophilic Phosphination/Cyclization of Alkynes.","Journal of the American Chemical Society","2017","139","17","6106","6109","10.1021/jacs.7b02977","","","0.71075","MoKα","","0.1161","0.0842","","","0.2136","0.2296","","","","","","1.146","","","","has coordinates","197413","2020-10-21","18:00:00",""
"4125974","10.8165","0.0004","10.8165","0.0004","16.2708","0.0005","90","","90","","120","","1648.59","0.1","173","2","173","2","","","","","","","","3","P 32","P 32","145","","","","- C29 H29 N -","- C29 H29 N -","- C87 H87 N3 -","3","1","","Panda, Santanu; Ready, Joseph M.","Palladium Catalyzed Asymmetric Three-Component Coupling of Boronic Esters, Indoles, and Allylic Acetates.","Journal of the American Chemical Society","2017","139","17","6038","6041","10.1021/jacs.7b01410","","","1.54184","CuKα","","0.0439","0.0425","","","0.1161","0.1183","","","","","","1.046","","","","has coordinates","197409","2020-10-21","18:00:00",""
"4125975","8.5881","0.0011","23.514","0.003","16.0485","0.0019","90","","104.483","0.005","90","","3137.9","0.7","100","2","100","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C33 H48 Mo N5 -","- C33 H48 Mo N5 -","- C132 H192 Mo4 N20 -","4","1","","Margulieux, Grant W.; Bezdek, Máté J; Turner, Zoë R; Chirik, Paul J.","Ammonia Activation, H2 Evolution and Nitride Formation from a Molybdenum Complex with a Chemically and Redox Noninnocent Ligand.","Journal of the American Chemical Society","2017","139","17","6110","6113","10.1021/jacs.7b03070","","","1.54178","CuKα","","0.0378","0.036","","","0.1017","0.1028","","","","","","1.088","","","","has coordinates","197406","2020-10-21","18:00:00",""
"4125976","16.659","","16.659","","32.217","","90","","90","","120","","7743.08","","100","2","100","2","","","","","","","","4","P 61","P 61","169","","","","- C39 H59 Mo N5 -","- C39 H59 Mo N5 -","- C234 H354 Mo6 N30 -","6","1","","Margulieux, Grant W.; Bezdek, Máté J; Turner, Zoë R; Chirik, Paul J.","Ammonia Activation, H2 Evolution and Nitride Formation from a Molybdenum Complex with a Chemically and Redox Noninnocent Ligand.","Journal of the American Chemical Society","2017","139","17","6110","6113","10.1021/jacs.7b03070","","","0.71073","MoKα","","0.0748","0.0669","","","0.1679","0.1736","","","","","","1.155","","","","has coordinates","197406","2020-10-21","18:00:00",""
"4125977","16.2897","0.0009","16.2897","0.0009","32.2513","0.0019","90","","90","","120","","7411.5","0.7","100","2","100","2","","","","","","","","7","P 65","P 65","170","","","","- C38 H59 F3 Mo N5 O4 S -","- C38 H59 F3 Mo N5 O4 S -","- C228 H354 F18 Mo6 N30 O24 S6 -","6","1","","Margulieux, Grant W.; Bezdek, Máté J; Turner, Zoë R; Chirik, Paul J.","Ammonia Activation, H2 Evolution and Nitride Formation from a Molybdenum Complex with a Chemically and Redox Noninnocent Ligand.","Journal of the American Chemical Society","2017","139","17","6110","6113","10.1021/jacs.7b03070","","","0.71073","MoKα","","0.0318","0.0275","","","0.0649","0.0669","","","","","","1.089","","","","has coordinates","197406","2020-10-21","18:00:00",""
"4125978","21.7387","0.0011","16.3039","0.0008","9.2844","0.0005","90","","95.558","0.002","90","","3275.2","0.3","100","2","100","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C39 H49 Mo N3 -","- C39 H49 Mo N3 -","- C156 H196 Mo4 N12 -","4","1","","Margulieux, Grant W.; Bezdek, Máté J; Turner, Zoë R; Chirik, Paul J.","Ammonia Activation, H2 Evolution and Nitride Formation from a Molybdenum Complex with a Chemically and Redox Noninnocent Ligand.","Journal of the American Chemical Society","2017","139","17","6110","6113","10.1021/jacs.7b03070","","","0.71073","MoKα","","0.0524","0.0356","","","0.0832","0.089","","","","","","1.09","","","","has coordinates","197406","2020-10-21","18:00:00",""
"4125979","8.7438","0.0007","13.7953","0.0011","15.4416","0.0013","106.183","0.002","104.153","0.002","104.603","0.002","1628.7","0.2","100","2","100","2","","","","","","","","4","P -1","-P 1","2","","","","- C35 H47 Mo N4 -","- C35 H47 Mo N4 -","- C70 H94 Mo2 N8 -","2","1","","Margulieux, Grant W.; Bezdek, Máté J; Turner, Zoë R; Chirik, Paul J.","Ammonia Activation, H2 Evolution and Nitride Formation from a Molybdenum Complex with a Chemically and Redox Noninnocent Ligand.","Journal of the American Chemical Society","2017","139","17","6110","6113","10.1021/jacs.7b03070","","","1.54178","CuKα","","0.0349","0.0344","","","0.0872","0.0876","","","","","","1.069","","","","has coordinates","197406","2020-10-21","18:00:00",""
"4125980","13.9719","0.0007","14.3789","0.0008","19.519","0.0009","111.265","0.001","91.6445","0.0011","97.0299","0.0012","3615.6","0.3","260","","260","","","","","","","","","6","P -1","-P 1","2","","","","- C74.5 H69.5 B0.5 F2 N5 O1.5 -","- C74.5 H69.5 B0.5 F2 N5 O1.5 -","- C149 H139 B F4 N10 O3 -","2","1","","Qiao, Bo; Hirsch, Brandon E.; Lee, Semin; Pink, Maren; Chen, Chun-Hsing; Laursen, Bo W.; Flood, Amar H.","Ion-Pair Oligomerization of Chromogenic Triangulenium Cations with Cyanostar-Modified Anions That Controls Emission in Hierarchical Materials.","Journal of the American Chemical Society","2017","","","","","10.1021/jacs.7b01937","","","0.41328","Synchrotron","","0.2602","0.2104","","0.5462","0.5081","0.5459","","","","","","2.0543","","","","has coordinates,has disorder","195758","2020-10-21","18:00:00",""
"4125981","5.677","0.0003","12.775","0.0005","27.3695","0.0016","90","","94.076","0.005","90","","1979.92","0.17","293","2","293","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C19 H18 Br Cl3 O2 -","- C19 H18 Br Cl3 O2 -","- C76 H72 Br4 Cl12 O8 -","4","1","","Tan, Yu; Luo, Shilong; Li, Dongmei; Zhang, Nan; Jia, Shiqi; Liu, Yidong; Qin, Wenling; Song, Choong Eui; Yan, Hailong","Enantioselective Synthesis of anti-syn-Trihalides and anti-syn-anti-Tetrahalides via Asymmetric β-Elimination.","Journal of the American Chemical Society","2017","139","18","6431","6436","10.1021/jacs.7b02076","","","0.71073","MoKα","","0.1136","0.0608","","","0.1529","0.1905","","","","","","1.042","","","","has coordinates","197439","2020-10-21","18:00:00",""
"4125982","6.7844","0.0004","7.0774","0.0006","17.2752","0.001","90","","100.264","0.005","90","","816.21","0.1","292","2","292","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C16 H13 Br3 O -","- C16 H13 Br3 O -","- C32 H26 Br6 O2 -","2","1","","Tan, Yu; Luo, Shilong; Li, Dongmei; Zhang, Nan; Jia, Shiqi; Liu, Yidong; Qin, Wenling; Song, Choong Eui; Yan, Hailong","Enantioselective Synthesis of anti-syn-Trihalides and anti-syn-anti-Tetrahalides via Asymmetric β-Elimination.","Journal of the American Chemical Society","2017","139","18","6431","6436","10.1021/jacs.7b02076","","","0.71073","MoKα","","0.0716","0.0584","","","0.1273","0.1421","","","","","","1.123","","","","has coordinates","197439","2020-10-21","18:00:00",""
"4125983","13.7749","0.0014","21.091","0.002","7.3456","0.0007","90","","90","","90","","2134.1","0.4","100","2","100","2","","","","","","","","4","P 21 21 2","P 2 2ab","18","","","","- C17 H24 N2 O6 -","- C17 H24 N2 O6 -","- C68 H96 N8 O24 -","4","1","","Wang, Xiaoming; Gensch, Tobias; Lerchen, Andreas; Daniliuc, Constantin G.; Glorius, Frank","Cp*Rh(III)/Bicyclic Olefin Cocatalyzed C-H Bond Amidation by Intramolecular Amide Transfer.","Journal of the American Chemical Society","2017","139","18","6506","6512","10.1021/jacs.7b02725","","","1.54178","CuKα","","0.0789","0.0521","","","0.1197","0.1359","","","","","","1.043","","","","has coordinates,has disorder","197441","2020-10-21","18:00:00",""
"4125984","12.492","0.0006","8.763","0.0004","15.2416","0.0006","90","","103.801","0.002","90","","1620.29","0.13","100","2","100","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C18 H22 N O2 Rh -","- C18 H22 N O2 Rh -","- C72 H88 N4 O8 Rh4 -","4","1","","Wang, Xiaoming; Gensch, Tobias; Lerchen, Andreas; Daniliuc, Constantin G.; Glorius, Frank","Cp*Rh(III)/Bicyclic Olefin Cocatalyzed C-H Bond Amidation by Intramolecular Amide Transfer.","Journal of the American Chemical Society","2017","139","18","6506","6512","10.1021/jacs.7b02725","","","0.71073","MoKα","","0.0393","0.0264","","","0.0498","0.0537","","","","","","1.048","","","","has coordinates","197441","2020-10-21","18:00:00",""
"4125985","9.9285","0.0005","14.935","0.0006","10.6506","0.0005","90","","90.57","0.002","90","","1579.22","0.13","100","2","100","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C36 H44 N2 O4 Rh2 -","- C36 H44 N2 O4 Rh2 -","- C72 H88 N4 O8 Rh4 -","2","0.5","","Wang, Xiaoming; Gensch, Tobias; Lerchen, Andreas; Daniliuc, Constantin G.; Glorius, Frank","Cp*Rh(III)/Bicyclic Olefin Cocatalyzed C-H Bond Amidation by Intramolecular Amide Transfer.","Journal of the American Chemical Society","2017","139","18","6506","6512","10.1021/jacs.7b02725","","","0.71073","MoKα","","0.0273","0.0236","","","0.0567","0.0599","","","","","","1.141","","","","has coordinates","197441","2020-10-21","18:00:00",""
"4125986","23.916","0.005","10.099","0.002","16.81","0.004","90","","131.277","0.002","90","","3051.3","1.1","100","2","100","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C24 H36 Cl2 Fe N12 O8 -","- C24 H36 Cl2 Fe N12 O8 -","- C96 H144 Cl8 Fe4 N48 O32 -","4","0.5","","Phan, Hoa; Hrudka, Jeremy J.; Igimbayeva, Dilyara; Lawson Daku, Latévi M; Shatruk, Michael","A Simple Approach for Predicting the Spin State of Homoleptic Fe(II) Tris-diimine Complexes.","Journal of the American Chemical Society","2017","139","18","6437","6447","10.1021/jacs.7b02098","","","0.71073","MoKα","","0.0552","0.0402","","","0.1013","0.1105","","","","","","1.053","","","","has coordinates","197440","2020-10-21","18:00:00",""
"4125987","8.494","0.0002","9.6405","0.0004","17.234","0.0006","80.409","0.002","89.735","0.002","70.163","0.002","1306.88","0.08","223","2","223","2","","","","","","","","4","P -1","-P 1","2","","","","- C29 H42 O Zr -","- C29 H42 O Zr -","- C58 H84 O2 Zr2 -","2","1","","Jian, Zhongbao; Kehr, Gerald; Daniliuc, Constantin G.; Wibbeling, Birgit; Wiegand, Thomas; Siedow, Melanie; Eckert, Hellmut; Bursch, Markus; Grimme, Stefan; Erker, Gerhard","CO-Reduction Chemistry: Reaction of a CO-Derived Formylhydridoborate with Carbon Monoxide, with Carbon Dioxide, and with Dihydrogen.","Journal of the American Chemical Society","2017","","","","","10.1021/jacs.7b02548","","","0.71073","MoKα","","0.0642","0.0555","","","0.125","0.1324","","","","","","1.055","","","","has coordinates","195812","2020-10-21","18:00:00",""
"4125988","17.461","0.0006","10.2956","0.0004","23.0488","0.0008","90","","99.715","0.002","90","","4084.1","0.3","100","2","100","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C45.5 H47 B F10 O2 Zr -","- C45.5 H47 B F10 O2 Zr -","- C182 H188 B4 F40 O8 Zr4 -","4","1","","Jian, Zhongbao; Kehr, Gerald; Daniliuc, Constantin G.; Wibbeling, Birgit; Wiegand, Thomas; Siedow, Melanie; Eckert, Hellmut; Bursch, Markus; Grimme, Stefan; Erker, Gerhard","CO-Reduction Chemistry: Reaction of a CO-Derived Formylhydridoborate with Carbon Monoxide, with Carbon Dioxide, and with Dihydrogen.","Journal of the American Chemical Society","2017","","","","","10.1021/jacs.7b02548","","","1.54178","CuKα","","0.0481","0.0404","","","0.0874","0.0906","","","","","","1.041","","","","has coordinates,has disorder","195812","2020-10-21","18:00:00",""
"4125989","12.1921","0.0002","23.6125","0.0004","14.2409","0.0003","90","","104.02","0.001","90","","3977.63","0.13","293","2","293","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C42 H43 B F10 O2 Zr -","- C42 H43 B F10 O2 Zr -","- C168 H172 B4 F40 O8 Zr4 -","4","1","","Jian, Zhongbao; Kehr, Gerald; Daniliuc, Constantin G.; Wibbeling, Birgit; Wiegand, Thomas; Siedow, Melanie; Eckert, Hellmut; Bursch, Markus; Grimme, Stefan; Erker, Gerhard","CO-Reduction Chemistry: Reaction of a CO-Derived Formylhydridoborate with Carbon Monoxide, with Carbon Dioxide, and with Dihydrogen.","Journal of the American Chemical Society","2017","","","","","10.1021/jacs.7b02548","","","0.71073","MoKα","","0.0768","0.058","","","0.1087","0.1233","","","","","","1.085","","","","has coordinates","195812","2020-10-21","18:00:00",""
"4125990","18.6592","0.0003","16.8001","0.0002","26.978","0.0004","90","","90","","90","","8457","0.2","223","2","223","2","","","","","","","","7","P b c a","-P 2ac 2ab","61","","","","- C47 H48 B F10 N O2 Zr -","- C47 H48 B F10 N O2 Zr -","- C376 H384 B8 F80 N8 O16 Zr8 -","8","1","","Jian, Zhongbao; Kehr, Gerald; Daniliuc, Constantin G.; Wibbeling, Birgit; Wiegand, Thomas; Siedow, Melanie; Eckert, Hellmut; Bursch, Markus; Grimme, Stefan; Erker, Gerhard","CO-Reduction Chemistry: Reaction of a CO-Derived Formylhydridoborate with Carbon Monoxide, with Carbon Dioxide, and with Dihydrogen.","Journal of the American Chemical Society","2017","","","","","10.1021/jacs.7b02548","","","0.71073","MoKα","","0.0461","0.0365","","","0.082","0.0871","","","","","","1.05","","","","has coordinates","195812","2020-10-21","18:00:00",""
"4125991","15.7125","0.0003","10.5905","0.0002","27.2479","0.0005","90","","95.505","0.001","90","","4513.23","0.15","173","2","173","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C43 H43 B F10 O3 Zr -","- C43 H43 B F10 O3 Zr -","- C172 H172 B4 F40 O12 Zr4 -","4","1","","Jian, Zhongbao; Kehr, Gerald; Daniliuc, Constantin G.; Wibbeling, Birgit; Wiegand, Thomas; Siedow, Melanie; Eckert, Hellmut; Bursch, Markus; Grimme, Stefan; Erker, Gerhard","CO-Reduction Chemistry: Reaction of a CO-Derived Formylhydridoborate with Carbon Monoxide, with Carbon Dioxide, and with Dihydrogen.","Journal of the American Chemical Society","2017","","","","","10.1021/jacs.7b02548","","","0.71073","MoKα","","0.0586","0.0445","","","0.1086","0.1156","","","","","","1.047","","","","has coordinates","195812","2020-10-21","18:00:00",""
"4125992","9.1412","0.0005","14.1009","0.0008","18.1472","0.0009","87.086","0.002","85.124","0.002","74.731","0.002","2247.4","0.2","100","2","100","2","","","","","","","","6","P -1","-P 1","2","","","","- C43 H43 B F10 O4 Zr -","- C43 H43 B F10 O4 Zr -","- C86 H86 B2 F20 O8 Zr2 -","2","1","","Jian, Zhongbao; Kehr, Gerald; Daniliuc, Constantin G.; Wibbeling, Birgit; Wiegand, Thomas; Siedow, Melanie; Eckert, Hellmut; Bursch, Markus; Grimme, Stefan; Erker, Gerhard","CO-Reduction Chemistry: Reaction of a CO-Derived Formylhydridoborate with Carbon Monoxide, with Carbon Dioxide, and with Dihydrogen.","Journal of the American Chemical Society","2017","","","","","10.1021/jacs.7b02548","","","0.71073","MoKα","","0.051","0.036","","","0.0783","0.0833","","","","","","1.023","","","","has coordinates","195812","2020-10-21","18:00:00",""
"4125993","25.3643","0.0014","25.3643","0.0014","33.4936","0.0019","90","","90","","90","","21548","2","100","2","100","2","","","","","","","","8","I 41/a","-I 4ad","88","","","","- C48 H48 B F10 N O3 S Zr -","- C48 H48 B F10 N O3 S Zr -","- C768 H768 B16 F160 N16 O48 S16 Zr16 -","16","","","Jian, Zhongbao; Kehr, Gerald; Daniliuc, Constantin G.; Wibbeling, Birgit; Wiegand, Thomas; Siedow, Melanie; Eckert, Hellmut; Bursch, Markus; Grimme, Stefan; Erker, Gerhard","CO-Reduction Chemistry: Reaction of a CO-Derived Formylhydridoborate with Carbon Monoxide, with Carbon Dioxide, and with Dihydrogen.","Journal of the American Chemical Society","2017","","","","","10.1021/jacs.7b02548","","","1.54178","CuKα","","0.1085","0.0754","","","0.1905","0.2122","","","","","","1.001","","","","has coordinates","195812","2020-10-21","18:00:00",""
"4125994","9.8031","0.0001","18.0447","0.0003","15.3737","0.0002","90","","94.955","0.001","90","","2709.35","0.06","173","2","173","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C30 H42 O3 Zr -","- C30 H42 O3 Zr -","- C120 H168 O12 Zr4 -","4","1","","Jian, Zhongbao; Kehr, Gerald; Daniliuc, Constantin G.; Wibbeling, Birgit; Wiegand, Thomas; Siedow, Melanie; Eckert, Hellmut; Bursch, Markus; Grimme, Stefan; Erker, Gerhard","CO-Reduction Chemistry: Reaction of a CO-Derived Formylhydridoborate with Carbon Monoxide, with Carbon Dioxide, and with Dihydrogen.","Journal of the American Chemical Society","2017","","","","","10.1021/jacs.7b02548","","","0.71073","MoKα","","0.0512","0.043","","","0.0924","0.0976","","","","","","1.081","","","","has coordinates","195812","2020-10-21","18:00:00",""
"4125995","16.5662","0.0002","19.9277","0.0002","25.6405","0.0003","90","","90","","90","","8464.6","0.17","173","2","173","2","","","","","","","","6","P b c a","-P 2ac 2ab","61","","","","- C42 H43 B F10 O3 Zr -","- C42 H43 B F10 O3 Zr -","- C336 H344 B8 F80 O24 Zr8 -","8","1","","Jian, Zhongbao; Kehr, Gerald; Daniliuc, Constantin G.; Wibbeling, Birgit; Wiegand, Thomas; Siedow, Melanie; Eckert, Hellmut; Bursch, Markus; Grimme, Stefan; Erker, Gerhard","CO-Reduction Chemistry: Reaction of a CO-Derived Formylhydridoborate with Carbon Monoxide, with Carbon Dioxide, and with Dihydrogen.","Journal of the American Chemical Society","2017","","","","","10.1021/jacs.7b02548","","","0.71073","MoKα","","0.053","0.0406","","","0.0899","0.0958","","","","","","1.028","","","","has coordinates","195812","2020-10-21","18:00:00",""
"4125996","9.3793","0.0002","10.1846","0.0002","13.8572","0.0002","92.719","0.001","96.159","0.001","91.437","0.001","1313.97","0.04","173","2","173","2","","","","","","","","4","P -1","-P 1","2","","","","- C29 H42 O2 Zr -","- C29 H42 O2 Zr -","- C58 H84 O4 Zr2 -","2","1","","Jian, Zhongbao; Kehr, Gerald; Daniliuc, Constantin G.; Wibbeling, Birgit; Wiegand, Thomas; Siedow, Melanie; Eckert, Hellmut; Bursch, Markus; Grimme, Stefan; Erker, Gerhard","CO-Reduction Chemistry: Reaction of a CO-Derived Formylhydridoborate with Carbon Monoxide, with Carbon Dioxide, and with Dihydrogen.","Journal of the American Chemical Society","2017","","","","","10.1021/jacs.7b02548","","","0.71073","MoKα","","0.0361","0.0341","","","0.0843","0.0864","","","","","","1.041","","","","has coordinates","195812","2020-10-21","18:00:00",""
"4125997","22.7497","0.0011","13.5222","0.0006","29.0199","0.0014","90","","102.42","0.002","90","","8718.4","0.7","100","2","100","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C48 H51 B F10 O2 Zr -","- C48 H51 B F10 O2 Zr -","- C384 H408 B8 F80 O16 Zr8 -","8","2","","Jian, Zhongbao; Kehr, Gerald; Daniliuc, Constantin G.; Wibbeling, Birgit; Wiegand, Thomas; Siedow, Melanie; Eckert, Hellmut; Bursch, Markus; Grimme, Stefan; Erker, Gerhard","CO-Reduction Chemistry: Reaction of a CO-Derived Formylhydridoborate with Carbon Monoxide, with Carbon Dioxide, and with Dihydrogen.","Journal of the American Chemical Society","2017","","","","","10.1021/jacs.7b02548","","","0.71073","MoKα","","0.0645","0.0397","","","0.0781","0.0876","","","","","","1.032","","","","has coordinates,has disorder","195812","2020-10-21","18:00:00",""
"4125998","72.2609","0.0018","72.2609","0.0018","72.2609","0.0018","90","","90","","90","","377320","16","100","2","100","2","","","","","","","","5","F m -3 m","-F 4 2 3","225","ZIF-414","","","- C29.08 H24.45 N14.3 O4.6 Zn3 -","- C29.075 H24.27 N14.3 O4.6 Zn3 -","- C5582.4 H4659.84 N2745.6 O883.2 Zn576 -","192","1","","Yang, Jingjing; Zhang, Yue-Biao; Liu, Qi; Trickett, Christopher A.; Gutiérrez-Puebla, Enrique; Monge, M Ángeles; Cong, Hengjiang; Aldossary, Abdulrahman; Deng, Hexiang; Yaghi, Omar M.","Principles of Designing Extra-Large Pore Openings and Cages in Zeolitic Imidazolate Frameworks.","Journal of the American Chemical Society","2017","139","18","6448","6455","10.1021/jacs.7b02272","","","0.7749","synchrotron","","0.0932","0.0787","","","0.228","0.2491","","","","","","1.157","","","","has coordinates,has disorder","197442","2020-10-21","18:00:00",""
"4125999","72.205","0.002","72.205","0.002","72.205","0.002","90","","90","","90","","376445","18","100","2","100","2","","","","","","","","5","F m -3 m","-F 4 2 3","225","ZIF-412","","","- C31.6 H22.95 N13.85 O3.7 Zn3 -","- C31.6 H22.95 N13.85 O3.7 Zn3 -","- C6067.2 H4406.4 N2659.2 O710.4 Zn576 -","192","1","","Yang, Jingjing; Zhang, Yue-Biao; Liu, Qi; Trickett, Christopher A.; Gutiérrez-Puebla, Enrique; Monge, M Ángeles; Cong, Hengjiang; Aldossary, Abdulrahman; Deng, Hexiang; Yaghi, Omar M.","Principles of Designing Extra-Large Pore Openings and Cages in Zeolitic Imidazolate Frameworks.","Journal of the American Chemical Society","2017","139","18","6448","6455","10.1021/jacs.7b02272","","","0.8265","synchrotron","","0.05","0.0434","","","0.1444","0.1503","","","","","","1.081","","","","has coordinates,has disorder","197442","2020-10-21","18:00:00",""
"4126000","31.731","0.006","31.731","0.006","28.412","0.006","90","","90","","120","","24774","8","100","2","100","2","","","","","","","","6","P 63/m m c","-P 6c 2c","194","ZIF-615","","","- C40 H23 Cl4 N20 O8 Zn4 -","- C40 H23 Cl4 N20 O8 Zn4 -","- C480 H276 Cl48 N240 O96 Zn48 -","12","0.5","","Yang, Jingjing; Zhang, Yue-Biao; Liu, Qi; Trickett, Christopher A.; Gutiérrez-Puebla, Enrique; Monge, M Ángeles; Cong, Hengjiang; Aldossary, Abdulrahman; Deng, Hexiang; Yaghi, Omar M.","Principles of Designing Extra-Large Pore Openings and Cages in Zeolitic Imidazolate Frameworks.","Journal of the American Chemical Society","2017","139","18","6448","6455","10.1021/jacs.7b02272","","","0.8999","synchrotron","","0.2577","0.1933","","","0.4933","0.55","","","","","","1.084","","","","has coordinates,has disorder","197442","2020-10-21","18:00:00",""
"4126001","29.157","0.003","29.157","0.003","69.955","0.009","90","","90","","90","","59471","12","100","2","100","2","","","","","","","","5","P 43 21 2","P 4nw 2abw","96","ZIF-516","","","- C195 H77 Br13 N52 Zn13 -","- C195 H74 Br13 N52 Zn13 -","- C1560 H592 Br104 N416 Zn104 -","8","1","","Yang, Jingjing; Zhang, Yue-Biao; Liu, Qi; Trickett, Christopher A.; Gutiérrez-Puebla, Enrique; Monge, M Ángeles; Cong, Hengjiang; Aldossary, Abdulrahman; Deng, Hexiang; Yaghi, Omar M.","Principles of Designing Extra-Large Pore Openings and Cages in Zeolitic Imidazolate Frameworks.","Journal of the American Chemical Society","2017","139","18","6448","6455","10.1021/jacs.7b02272","","","0.7749","synchrotron","","0.1191","0.0972","","","0.2523","0.273","","","","","","1.047","","","","has coordinates","197442","2020-10-21","18:00:00",""
"4126002","72.3673","0.0014","72.3673","0.0014","72.3673","0.0014","90","","90","","90","","378989","13","100","2","100","2","","","","","","","","5","F m -3 m","-F 4 2 3","225","ZIF-413","","","- C33.5 H26.49 N13.81 O3.63 Zn3 -","- C33.5 H26.4875 N13.8125 O3.625 Zn3 -","- C6432 H5085.6 N2652 O696 Zn576 -","192","1","","Yang, Jingjing; Zhang, Yue-Biao; Liu, Qi; Trickett, Christopher A.; Gutiérrez-Puebla, Enrique; Monge, M Ángeles; Cong, Hengjiang; Aldossary, Abdulrahman; Deng, Hexiang; Yaghi, Omar M.","Principles of Designing Extra-Large Pore Openings and Cages in Zeolitic Imidazolate Frameworks.","Journal of the American Chemical Society","2017","139","18","6448","6455","10.1021/jacs.7b02272","","","1.2399","synchrotron","","0.117","0.1032","","","0.3171","0.3434","","","","","","1.05","","","","has coordinates,has disorder","197442","2020-10-21","18:00:00",""
"4126003","42.586","0.003","42.586","0.003","19.8692","0.0013","90","","90","","120","","31206","4","100","2","100","2","","","","","","","","6","P 6/m m m","-P 6 2","191","ZIF-725","","","- C22 H13.5 Br2.5 N9 O2 Zn2 -","- C22 H12.25 Br2.5 N9 O2 Zn2 -","- C528 H294 Br60 N216 O48 Zn48 -","24","1","","Yang, Jingjing; Zhang, Yue-Biao; Liu, Qi; Trickett, Christopher A.; Gutiérrez-Puebla, Enrique; Monge, M Ángeles; Cong, Hengjiang; Aldossary, Abdulrahman; Deng, Hexiang; Yaghi, Omar M.","Principles of Designing Extra-Large Pore Openings and Cages in Zeolitic Imidazolate Frameworks.","Journal of the American Chemical Society","2017","139","18","6448","6455","10.1021/jacs.7b02272","","","1.0332","synchrotron","","0.1996","0.1621","","","0.4143","0.4377","","","","","","1.152","","","","has coordinates,has disorder","197442","2020-10-21","18:00:00",""
"4126004","27.0807","0.0016","27.0807","0.0016","16.7619","0.0016","90","","90","","120","","10645.7","1.4","100","2","100","2","","","","","","","","5","P 63/m m c","-P 6c 2c","194","ZIF-486","","","- C7.5 H7.4 N4.2 O0.4 Zn -","- C7.5 H7.4 N4.2 O0.4 Zn -","- C180 H177.6 N100.8 O9.6 Zn24 -","24","1","","Yang, Jingjing; Zhang, Yue-Biao; Liu, Qi; Trickett, Christopher A.; Gutiérrez-Puebla, Enrique; Monge, M Ángeles; Cong, Hengjiang; Aldossary, Abdulrahman; Deng, Hexiang; Yaghi, Omar M.","Principles of Designing Extra-Large Pore Openings and Cages in Zeolitic Imidazolate Frameworks.","Journal of the American Chemical Society","2017","139","18","6448","6455","10.1021/jacs.7b02272","","","0.7749","","","0.1382","0.1153","","","0.3275","0.3525","","","","","","1.02","","","","has coordinates,has disorder","197442","2020-10-21","18:00:00",""
"4126005","17.3115","0.001","6.4766","0.0004","20.9257","0.0012","90","","107.061","0.002","90","","2242.9","0.2","100","","100","","","","","","","","","7","P 1 21/n 1","-P 2yn","14","BAD2-BA","","","- C26.5 H22 B Cl F2 N2 O2 -","- C26.5 H22 B Cl F2 N2 O2 -","- C106 H88 B4 Cl4 F8 N8 O8 -","4","1","","Filatov, Mikhail A.; Karuthedath, Safakath; Polestshuk, Pavel M.; Savoie, Huguette; Flanagan, Keith J.; Sy, Cindy; Sitte, Elisabeth; Telitchko, Maxime; Laquai, Frédéric; Boyle, Ross W.; Senge, Mathias O.","Generation of Triplet Excited States via Photoinduced Electron Transfer in meso-anthra-BODIPY: Fluorogenic Response toward Singlet Oxygen in Solution and in Vitro.","Journal of the American Chemical Society","2017","139","18","6282","6285","10.1021/jacs.7b00551","","x-ray","0.71073","MoKα","","0.0773","0.0426","","","0.0855","0.0976","","","","","","1.035","","","","has coordinates,has disorder","197444","2020-10-21","18:00:00",""
"4126006","7.2381","0.0006","9.7454","0.0009","16.9374","0.0015","75.307","0.003","83.691","0.002","70.111","0.004","1086.37","0.17","100","","99.99","","","","","","","","","5","P -1","-P 1","2","BAD1","","","- C28 H25 B F2 N2 -","- C28 H25 B F2 N2 -","- C56 H50 B2 F4 N4 -","2","1","","Filatov, Mikhail A.; Karuthedath, Safakath; Polestshuk, Pavel M.; Savoie, Huguette; Flanagan, Keith J.; Sy, Cindy; Sitte, Elisabeth; Telitchko, Maxime; Laquai, Frédéric; Boyle, Ross W.; Senge, Mathias O.","Generation of Triplet Excited States via Photoinduced Electron Transfer in meso-anthra-BODIPY: Fluorogenic Response toward Singlet Oxygen in Solution and in Vitro.","Journal of the American Chemical Society","2017","139","18","6282","6285","10.1021/jacs.7b00551","","x-ray","0.71073","MoKα","","0.0831","0.044","","","0.1015","0.1129","","","","","","1.016","","","","has coordinates","197444","2020-10-21","18:00:00",""
"4126007","6.3949","0.0003","9.4233","0.0005","20.105","0.001","80.269","0.002","83.793","0.002","70.715","0.002","1125.33","0.1","100","","99.99","","","","","","","","","6","P -1","-P 1","2","BAD2-TE","","","- C27 H25 B F2 N2 O5 -","- C27 H25 B F2 N2 O5 -","- C54 H50 B2 F4 N4 O10 -","2","1","","Filatov, Mikhail A.; Karuthedath, Safakath; Polestshuk, Pavel M.; Savoie, Huguette; Flanagan, Keith J.; Sy, Cindy; Sitte, Elisabeth; Telitchko, Maxime; Laquai, Frédéric; Boyle, Ross W.; Senge, Mathias O.","Generation of Triplet Excited States via Photoinduced Electron Transfer in meso-anthra-BODIPY: Fluorogenic Response toward Singlet Oxygen in Solution and in Vitro.","Journal of the American Chemical Society","2017","139","18","6282","6285","10.1021/jacs.7b00551","","x-ray","0.71073","MoKα","","0.0762","0.0481","","","0.1052","0.1164","","","","","","1.036","","","","has coordinates,has disorder","197444","2020-10-21","18:00:00",""
"4126008","9.334","0.001","11.4364","0.0012","15.3376","0.0016","111.002","0.002","109.988","0.002","120.76","0.002","993","0.2","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","","","- C22 H31 Ir N2 O2 -","- C22 H31 Ir N2 O2 -","- C44 H62 Ir2 N4 O4 -","2","1","","Gao, Yang; Guan, Changjian; Zhou, Meng; Kumar, Akshai; Emge, Thomas J.; Wright, Ashley M.; Goldberg, Karen I.; Krogh-Jespersen, Karsten; Goldman, Alan S.","β-Hydride Elimination and C-H Activation by an Iridium Acetate Complex, Catalyzed by Lewis Acids. Alkane Dehydrogenation Co-Catalyzed by Lewis Acids and (Phebox)Ir.","Journal of the American Chemical Society","2017","","","","","10.1021/jacs.6b12995","","","0.71073","MoKα","","0.0736","0.0669","","","0.1555","0.1596","","","","","","1.004","","","","has coordinates","195892","2020-10-21","18:00:00",""
"4126009","15.3166","0.0009","8.8618","0.0004","14.4531","0.0007","90","","98.44","0.002","90","","1940.51","0.17","298","","298","","","","","","","","","6","C 1 c 1","C -2yc","9","","","","- C12 H20 Fe K N8 O2 -","- C12 H20 Fe K N8 O2 -","- C48 H80 Fe4 K4 N32 O8 -","4","1","","Xu, Wei-Jian; Li, Peng-Fei; Tang, Yuan-Yuan; Zhang, Wei-Xiong; Xiong, Ren-Gen; Chen, Xiao-Ming","A Molecular Perovskite with Switchable Coordination Bonds for High-Temperature Multiaxial Ferroelectrics.","Journal of the American Chemical Society","2017","139","18","6369","6375","10.1021/jacs.7b01334","","","0.71073","MoKα","","0.0305","0.0284","","","0.0663","0.0685","","","","","","1.045","","","","has coordinates","197443","2020-10-21","18:00:00",""
"4126010","9.054","0.0004","25.6599","0.0011","11.7725","0.0005","90","","111.578","0.002","90","","2543.37","0.19","180","2","180","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C30 H31 O2 P -","- C30 H31 O2 P -","- C120 H124 O8 P4 -","4","1","","Núñez-Villanueva, Diego; Iadevaia, Giulia; Stross, Alexander E.; Jinks, Michael A.; Swain, Jonathan A.; Hunter, Christopher A.","H-Bond Self-Assembly: Folding versus Duplex Formation","Journal of the American Chemical Society","2017","","","","","10.1021/jacs.7b01357","","","1.54178","CuKα","","0.1185","0.0686","","","0.1342","0.1541","","","","","","1.051","","","","has coordinates","196192","2020-10-21","18:00:00",""
"4126011","12.2209","0.0003","12.6206","0.0003","14.2456","0.0004","75.918","0.001","77.453","0.001","75.38","0.001","2033.52","0.09","100","2","100","2","","","","","","","","4","P -1","-P 1","2","","","","- C43 H62 N2 Pb -","- C43 H62 N2 Pb -","- C86 H124 N4 Pb2 -","2","1","","Schneider, Julia; Sindlinger, Christian P.; Eichele, Klaus; Schubert, Hartmut; Wesemann, Lars","Low-Valent Lead Hydride and Its Extreme Low-Field (1)H NMR Chemical Shift.","Journal of the American Chemical Society","2017","139","19","6542","6545","10.1021/jacs.7b01856","","","0.71073","MoKα","","0.0247","0.0213","","","0.0468","0.0476","","","","","","1.105","","","","has coordinates,has disorder","197418","2020-10-21","18:00:00",""
"4126012","6.1827","0.0004","16.2477","0.0009","18.7515","0.0011","90","","90","","90","","1883.68","0.19","100","2","100","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C20 H27 B O5 -","- C20 H27 B O5 -","- C80 H108 B4 O20 -","4","1","","Yu, Songjie; Wu, Caizhi; Ge, Shaozhong","Cobalt-Catalyzed Asymmetric Hydroboration/Cyclization of 1,6-Enynes with Pinacolborane.","Journal of the American Chemical Society","2017","139","19","6526","6529","10.1021/jacs.7b01708","","","1.54178","CuKα","","0.0276","0.0273","","","0.0686","0.0689","","","","","","1.052","","","","has coordinates","197419","2020-10-21","18:00:00",""
"4126013","6.126","0.0004","12.1135","0.0007","24.9789","0.0015","90","","90","","90","","1853.6","0.2","100","2","100","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C19 H24 B F3 O3 -","- C19 H24 B F3 O3 -","- C76 H96 B4 F12 O12 -","4","1","","Yu, Songjie; Wu, Caizhi; Ge, Shaozhong","Cobalt-Catalyzed Asymmetric Hydroboration/Cyclization of 1,6-Enynes with Pinacolborane.","Journal of the American Chemical Society","2017","139","19","6526","6529","10.1021/jacs.7b01708","","","1.54178","CuKα","","0.0292","0.0285","","","0.0718","0.0724","","","","","","1.065","","","","has coordinates","197419","2020-10-21","18:00:00",""
"4126014","20.4847","0.0008","20.4847","0.0008","6.8358","0.0003","90","","90","","120","","2484.16","0.18","100","2","100","2","","","","","","","","3","P 61","P 61","169","","","","- C19 H24 O4 -","- C19 H24 O4 -","- C114 H144 O24 -","6","1","","Yu, Songjie; Wu, Caizhi; Ge, Shaozhong","Cobalt-Catalyzed Asymmetric Hydroboration/Cyclization of 1,6-Enynes with Pinacolborane.","Journal of the American Chemical Society","2017","139","19","6526","6529","10.1021/jacs.7b01708","","","1.54178","CuKα","","0.0256","0.0254","","","0.0648","0.065","","","","","","1.087","","","","has coordinates","197419","2020-10-21","18:00:00",""
"4126015","8.2057","0.0002","18.9164","0.0004","10.956","0.0002","90","","109.946","0.0005","90","","1598.6","0.06","90","2","90","2","","","","","","","","3","P 1 21/m 1","-P 2yb","11","","","","- C37 H48 Sn -","- C37 H48 Sn -","- C74 H96 Sn2 -","2","0.5","","Wang, Shuai; McCrea-Hendrick, Madison L; Weinstein, Cory M.; Caputo, Christine A.; Hoppe, Elke; Fettinger, James C.; Olmstead, Marilyn M.; Power, Philip P.","Tin(II) Hydrides as Intermediates in Rearrangements of Tin(II) Alkyl Derivatives.","Journal of the American Chemical Society","2017","","","","","10.1021/jacs.7b02271","","","1.54178","CuKα","","0.0265","0.0264","","","0.0673","0.0675","","","","","","1.051","","","","has coordinates,has disorder","196555","2020-10-21","18:00:00",""
"4126016","33.486","0.002","9.6854","0.0008","24.5785","0.0016","90","","110.392","0.003","90","","7471.9","0.9","90","2","90","2","","","","","","","","3","C 1 2/c 1","-C 2yc","15","","","","- C43 H60 Sn -","- C43 H60 Sn -","- C344 H480 Sn8 -","8","1","","Wang, Shuai; McCrea-Hendrick, Madison L; Weinstein, Cory M.; Caputo, Christine A.; Hoppe, Elke; Fettinger, James C.; Olmstead, Marilyn M.; Power, Philip P.","Tin(II) Hydrides as Intermediates in Rearrangements of Tin(II) Alkyl Derivatives.","Journal of the American Chemical Society","2017","","","","","10.1021/jacs.7b02271","","","1.54178","CuKα","","0.0639","0.0585","","","0.1538","0.1633","","","","","","1.069","","","","has coordinates,has disorder","196555","2020-10-21","18:00:00",""
"4126017","10.5924","0.0003","10.8578","0.0003","15.0849","0.0004","99.3872","0.001","94.5522","0.001","108.185","0.0011","1610.41","0.08","90","2","90","2","","","","","","","","3","P -1","-P 1","2","","","","- C37 H46 Sn -","- C37 H46 Sn -","- C74 H92 Sn2 -","2","1","","Wang, Shuai; McCrea-Hendrick, Madison L; Weinstein, Cory M.; Caputo, Christine A.; Hoppe, Elke; Fettinger, James C.; Olmstead, Marilyn M.; Power, Philip P.","Tin(II) Hydrides as Intermediates in Rearrangements of Tin(II) Alkyl Derivatives.","Journal of the American Chemical Society","2017","","","","","10.1021/jacs.7b02271","","","1.54178","CuKα","","0.0391","0.0391","","","0.0974","0.0974","","","","","","1.15","","","","has coordinates,has disorder","196555","2020-10-21","18:00:00",""
"4126018","33.42","0.007","9.66","0.002","24.843","0.005","90","","111.533","0.003","90","","7460","3","90","2","90","2","","","","","","","","3","C 1 2 1","C 2y","5","","","","- C86 H116 Sn2 -","- C86 H116 Sn2 -","- C344 H464 Sn8 -","4","1","","Wang, Shuai; McCrea-Hendrick, Madison L; Weinstein, Cory M.; Caputo, Christine A.; Hoppe, Elke; Fettinger, James C.; Olmstead, Marilyn M.; Power, Philip P.","Tin(II) Hydrides as Intermediates in Rearrangements of Tin(II) Alkyl Derivatives.","Journal of the American Chemical Society","2017","","","","","10.1021/jacs.7b02271","","","0.71073","MoKα","","0.0653","0.0579","","","0.1397","0.1455","","","","","","1.019","","","","has coordinates,has disorder","196555","2020-10-21","18:00:00",""
"4126019","8.296","0.0016","14.809","0.003","15.586","0.003","87.356","0.005","74.584","0.005","84.943","0.004","1838.2","0.6","90","2","90","2","","","","","","","","3","P -1","-P 1","2","","","","- C44 H54 Sn -","- C44 H54 Sn -","- C88 H108 Sn2 -","2","1","","Wang, Shuai; McCrea-Hendrick, Madison L; Weinstein, Cory M.; Caputo, Christine A.; Hoppe, Elke; Fettinger, James C.; Olmstead, Marilyn M.; Power, Philip P.","Tin(II) Hydrides as Intermediates in Rearrangements of Tin(II) Alkyl Derivatives.","Journal of the American Chemical Society","2017","","","","","10.1021/jacs.7b02271","","","0.71073","MoKα","","0.0348","0.0321","","","0.0815","0.0831","","","","","","1.05","","","","has coordinates","196555","2020-10-21","18:00:00",""
"4126020","12.1647","0.0015","9.658","0.0012","31.714","0.004","90","","91.093","0.002","90","","3725.3","0.8","90","2","90","2","","","","","","","","3","P 1 2/n 1","-P 2yac","13","","","","- C43 H58 Sn -","- C43 H58 Sn -","- C172 H232 Sn4 -","4","1","","Wang, Shuai; McCrea-Hendrick, Madison L; Weinstein, Cory M.; Caputo, Christine A.; Hoppe, Elke; Fettinger, James C.; Olmstead, Marilyn M.; Power, Philip P.","Tin(II) Hydrides as Intermediates in Rearrangements of Tin(II) Alkyl Derivatives.","Journal of the American Chemical Society","2017","","","","","10.1021/jacs.7b02271","","","0.71073","MoKα","","0.1039","0.0832","","","0.1815","0.193","","","","","","1.106","","","","has coordinates","196555","2020-10-21","18:00:00",""
"4126021","11.401","0.0003","33.9076","0.001","16.5719","0.0004","90","","93.3189","0.0012","90","","6395.6","0.3","90","2","90","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C74 H92 Sn2 -","- C74 H92 Sn2 -","- C296 H368 Sn8 -","4","1","","Wang, Shuai; McCrea-Hendrick, Madison L; Weinstein, Cory M.; Caputo, Christine A.; Hoppe, Elke; Fettinger, James C.; Olmstead, Marilyn M.; Power, Philip P.","Tin(II) Hydrides as Intermediates in Rearrangements of Tin(II) Alkyl Derivatives.","Journal of the American Chemical Society","2017","","","","","10.1021/jacs.7b02271","","","1.54178","CuKα","","0.0901","0.0721","","","0.1766","0.1852","","","","","","1.041","","","","has coordinates,has disorder","196555","2020-10-21","18:00:00",""
"4126022","10.5608","0.0008","6.4181","0.0005","19.8406","0.0014","90","","90.419","0.002","90","","1344.77","0.17","100","2","100","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C17 H15 N O4 -","- C17 H15 N O4 -","- C68 H60 N4 O16 -","4","1","","Maier, Josef M.; Li, Ping; Vik, Erik C.; Yehl, Christopher J.; Strickland, Sharon M. S.; Shimizu, Ken D.","Measurement of Solvent OH-π Interactions Using a Molecular Balance.","Journal of the American Chemical Society","2017","139","19","6550","6553","10.1021/jacs.7b02349","","","0.71073","MoKα","","0.0567","0.0455","","","0.1158","0.1217","","","","","","1.064","","","","has coordinates","197414","2020-10-21","18:00:00",""
"4126023","10.9086","0.0002","15.7319","0.0003","17.5116","0.0004","83.6115","0.0016","79.6903","0.0015","70.5894","0.0015","2784.3","0.1","100","2","100.01","","","","","","","","","4","P 1","P 1","1","","","","- C55.5 H49.5 N7.5 O13.5 -","- C55.5 H49.5 N7.5 O13.5 -","- C111 H99 N15 O27 -","2","2","","Kim, Dong Jun; Hermann, Keith R.; Prokofjevs, Aleksandrs; Otley, Michael T.; Pezzato, Cristian; Owczarek, Magdalena; Stoddart, J. Fraser","Redox-Active Macrocycles for Organic Rechargeable Batteries.","Journal of the American Chemical Society","2017","139","19","6635","6643","10.1021/jacs.7b01209","","","1.54178","CuKα","","0.0789","0.0593","","","0.1475","0.1601","","","","","","0.971","","","","has coordinates,has disorder","197415","2020-10-21","18:00:00",""
"4126024","18.6629","0.0008","64.266","0.003","85.271","0.004","90","","90","","90","","102273","8","180","2","180","2","","","","","","","","8","F d d d","-F 2uv 2vw","70","","","","- C190.5 H184 F40.5 Fe4 N40 O31.5 P5.5 S10.5 -","- C186.8 H184 F29.4 Fe4 N40 O20.4 P5.5 S6.8 -","- C2988.8 H2944 F470.4 Fe64 N640 O326.4 P88 S108.8 -","16","","","Zhang, Dawei; Ronson, Tanya K.; Mosquera, Jesús; Martinez, Alexandre; Guy, Laure; Nitschke, Jonathan R.","Anion Binding in Water Drives Structural Adaptation in an Azaphosphatrane-Functionalized Fe(II)4L4 Tetrahedron.","Journal of the American Chemical Society","2017","139","19","6574","6577","10.1021/jacs.7b02950","","","1.54178","CuKα","","0.1193","0.1078","","","0.2698","0.278","","","","","","1.085","","","","has coordinates,has disorder","197416","2020-10-21","18:00:00",""
"4126025","10.5693","0.001","11.1146","0.0011","21.504","0.002","90","","90","","90","","2526.2","0.4","100","2","100","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","1","","- C16 H40 N4 Ni2 O10 -","- C16 H40 N4 Ni2 O10 -","- C64 H160 N16 Ni8 O40 -","4","1","","Margossian, Tigran; Larmier, Kim; Kim, Sung Min; Krumeich, Frank; Fedorov, Alexey; Chen, Peter; Müller, Christoph R; Copéret, Christophe","Molecularly Tailored Nickel Precursor and Support Yield a Stable Methane Dry Reforming Catalyst with Superior Metal Utilization.","Journal of the American Chemical Society","2017","","","","","10.1021/jacs.7b01625","","x-ray","0.71073","MoKα","","0.038","0.0286","","","0.0528","0.0553","","","","","","1.06","","","","has coordinates","196616","2020-10-21","18:00:00",""
"4126026","11.07084","0.0001","12.29131","0.00012","13.30647","0.00014","90","","90","","90","","1810.68","0.03","100.02","0.11","100.02","0.11","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C21 H22 O7 -","- C21 H22 O7 -","- C84 H88 O28 -","4","1","","Guo, Yinliang; Quan, Tianfei; Lu, Yandong; Luo, Tuoping","Enantioselective Total Synthesis of (+)-Wortmannin.","Journal of the American Chemical Society","2017","","","","","10.1021/jacs.7b02515","","","1.54184","CuKα","","0.026","0.0259","","","0.0678","0.0679","","","","","","1.04","","","","has coordinates","196634","2020-10-21","18:00:00",""
"4126027","11.4489","0.0005","20.7494","0.0009","30.7865","0.0014","90","","91.16","0.001","90","","7312.1","0.6","100","2","100","","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C15.21 Cl0.5 N1.4 O33.9 Zr6 -","- C15.218 Cl0.5 N1.406 O33.906 Zr6 -","- C121.744 Cl4 N11.248 O271.248 Zr48 -","8","1","","Ji, Pengfei; Manna, Kuntal; Lin, Zekai; Feng, Xuanyu; Urban, Ania; Song, Yang; Lin, Wenbin","Single-Site Cobalt Catalysts at New Zr12(μ3-O)8(μ3-OH)8(μ2-OH)6 Metal-Organic Framework Nodes for Highly Active Hydrogenation of Nitroarenes, Nitriles, and Isocyanides.","Journal of the American Chemical Society","2017","139","20","7004","7011","10.1021/jacs.7b02394","","","0.41328","","","0.0862","0.0527","","","0.1295","0.1428","","","","","","1.046","","","","has coordinates,has disorder","197427","2020-10-21","18:00:00",""
"4126028","33.087","0.003","33.087","0.003","21.564","0.002","90","","90","","90","","23607","4","77","","77","","","","","","","","","4","I 41/a","-I 4ad","88","","HfBTE-3D-MOF-I","","- C66 H0 Hf3 O18 -","- C66 Hf3 O18 -","- C528 Hf24 O144 -","8","","","Cao, Lingyun; Lin, Zekai; Shi, Wenjie; Wang, Zi; Zhang, Cankun; Hu, Xuefu; Wang, Cheng; Lin, Wenbin","Exciton Migration and Amplified Quenching on Two-Dimensional Metal-Organic Layers.","Journal of the American Chemical Society","2017","139","20","7020","7029","10.1021/jacs.7b02470","","","0.41328","","","0.1171","0.0622","","","0.1509","0.1786","","","","","","1.081","","","","has coordinates,has disorder","197429","2020-10-21","18:00:00",""
"4126029","44.662","0.009","21.571","0.004","19.789","0.004","90","","113.282","0.003","90","","17512","6","77","","77","","","","","","","","","3","C 1 2/m 1","-C 2y","12","","ZrBTE-3D-MOF-D","","- C66 O18 Zr3 -","- C66 O18 Zr3 -","- C264 O72 Zr12 -","4","0.5","","Cao, Lingyun; Lin, Zekai; Shi, Wenjie; Wang, Zi; Zhang, Cankun; Hu, Xuefu; Wang, Cheng; Lin, Wenbin","Exciton Migration and Amplified Quenching on Two-Dimensional Metal-Organic Layers.","Journal of the American Chemical Society","2017","139","20","7020","7029","10.1021/jacs.7b02470","","","0.41328","","","0.1815","0.1255","","","0.3119","0.3328","","","","","","0.993","","","","has coordinates,has disorder","197429","2020-10-21","18:00:00",""
"4126030","3.9986","0.0008","6.92","0.0014","23.184","0.005","90","","90","","90","","641.5","0.2","293","2","293","2","","","","","","","","4","C m c m","-C 2c 2","63","","","","- Bi2.17 Cd1.83 K1.83 S6 -","- Bi2.168 Cd1.828 K1.834 S6 -","- Bi4.336 Cd3.656 K3.668 S12 -","2","0.125","","Zhao, Jing; Islam, Saiful M.; Kontsevoi, Oleg Y.; Tan, Gangjian; Stoumpos, Constantinos C.; Chen, Haijie; Li, Rukang; Kanatzidis, Mercouri G.","The Two-Dimensional AxCdxBi4-xQ6 (A = K, Rb, Cs; Q = S, Se): Direct Bandgap Semiconductors and Ion-Exchange Materials.","Journal of the American Chemical Society","2017","","","","","10.1021/jacs.7b02243","","","0.71073","MoKα","","0.0355","0.0298","","","0.0732","0.076","","","","","","1.221","","","","has coordinates","196650","2020-10-21","18:00:00",""
"4126031","3.9968","0.0008","6.9243","0.0014","23.7","0.005","90","","90","","90","","655.9","0.2","293","2","293","2","","","","","","","","4","C m c m","-C 2c 2","63","","","","- Bi2.46 Cd1.54 Rb1.53 S6 -","- Bi2.4748 Cd1.5268 Rb1.522 S6 -","- Bi4.9496 Cd3.0536 Rb3.044 S12 -","2","0.125","","Zhao, Jing; Islam, Saiful M.; Kontsevoi, Oleg Y.; Tan, Gangjian; Stoumpos, Constantinos C.; Chen, Haijie; Li, Rukang; Kanatzidis, Mercouri G.","The Two-Dimensional AxCdxBi4-xQ6 (A = K, Rb, Cs; Q = S, Se): Direct Bandgap Semiconductors and Ion-Exchange Materials.","Journal of the American Chemical Society","2017","","","","","10.1021/jacs.7b02243","","","0.71073","MoKα","","0.0597","0.0556","","","0.1155","0.1175","","","","","","1.23","","","","has coordinates","196651","2020-10-21","18:00:00",""
"4126032","4.1363","0.0008","7.1476","0.0014","25.047","0.005","90","","90","","90","","740.5","0.3","293","2","293","2","","","","","","","","4","C m c m","-C 2c 2","63","","","","- Bi5.74 Cd2.26 Cs2.27 Se12 -","- Bi5.736 Cd2.2632 Cs2.268 Se12 -","- Bi5.736 Cd2.2632 Cs2.268 Se12 -","1","0.0625","","Zhao, Jing; Islam, Saiful M.; Kontsevoi, Oleg Y.; Tan, Gangjian; Stoumpos, Constantinos C.; Chen, Haijie; Li, Rukang; Kanatzidis, Mercouri G.","The Two-Dimensional AxCdxBi4-xQ6 (A = K, Rb, Cs; Q = S, Se): Direct Bandgap Semiconductors and Ion-Exchange Materials.","Journal of the American Chemical Society","2017","","","","","10.1021/jacs.7b02243","","","0.71073","MoKα","","0.0569","0.0488","","","0.1029","0.1078","","","","","","1.226","","","","has coordinates","196652","2020-10-21","18:00:00",""
"4126033","19.5368","0.0007","14.2533","0.0005","23.4566","0.0009","90","","90","","90","","6531.8","0.4","100","2","100","2","","","","","","","","6","P b c a","-P 2ac 2ab","61","ma_03_101","ma_03_101","","- C34 H43 Cl2 Cu N2 S -","- C34 H43 Cl2 Cu N2 S -","- C272 H344 Cl16 Cu8 N16 S8 -","8","1","","Mailig, Melrose; Hazra, Avijit; Armstrong, Megan K.; Lalic, Gojko","Catalytic Anti-Markovnikov Hydroallylation of Terminal and Functionalized Internal Alkynes: Synthesis of Skipped Dienes and Trisubstituted Alkenes.","Journal of the American Chemical Society","2017","139","20","6969","6977","10.1021/jacs.7b02104","","","0.71073","MoKα","","0.0474","0.0363","","","0.0854","0.0921","","","","","","1.043","","","","has coordinates","197430","2020-10-21","18:00:00",""
"4126034","12.249","0.003","17.855","0.004","22.121","0.005","90","","90","","90","","4838","1.9","296","2","296","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C46 H67 Li N2 O3 S2 -","- C46 H67 Li N2 O3 S2 -","- C184 H268 Li4 N8 O12 S8 -","4","1","","Wang, Yuzhong; Hickox, Hunter P.; Xie, Yaoming; Wei, Pingrong; Blair, Soshawn A.; Johnson, Michael K.; Schaefer, 3rd, Henry F; Robinson, Gregory H.","A Stable Anionic Dithiolene Radical.","Journal of the American Chemical Society","2017","139","20","6859","6862","10.1021/jacs.7b03794","","","0.71073","MoKα","","0.1605","0.06","","","0.1234","0.163","","","","","","1.003","","","","has coordinates,has disorder","197431","2020-10-21","18:00:00",""
"4126035","12.332","0.002","17.934","0.003","16.802","0.003","90","","101.457","0.006","90","","3641.9","1.1","100","2","100","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C35 H50 Li N2 O2 S3 -","- C35 H50 Li N2 O2 S3 -","- C140 H200 Li4 N8 O8 S12 -","4","1","","Wang, Yuzhong; Hickox, Hunter P.; Xie, Yaoming; Wei, Pingrong; Blair, Soshawn A.; Johnson, Michael K.; Schaefer, 3rd, Henry F; Robinson, Gregory H.","A Stable Anionic Dithiolene Radical.","Journal of the American Chemical Society","2017","139","20","6859","6862","10.1021/jacs.7b03794","","","0.71073","MoKα","","0.081","0.0566","","","0.1315","0.144","","","","","","1.031","","","","has coordinates","197431","2020-10-21","18:00:00",""
"4126036","14.9377","0.0006","14.9604","0.0006","37.2578","0.0015","90","","92.366","0.001","90","","8319.1","0.6","297","2","297","2","","","","","","","","8","P 1 21/n 1","-P 2yn","14","","","","- C76 H112 Cl Ge Li N4 O6 S6 -","- C76 H112 Cl Ge Li N4 O6 S6 -","- C304 H448 Cl4 Ge4 Li4 N16 O24 S24 -","4","1","","Wang, Yuzhong; Hickox, Hunter P.; Xie, Yaoming; Wei, Pingrong; Blair, Soshawn A.; Johnson, Michael K.; Schaefer, 3rd, Henry F; Robinson, Gregory H.","A Stable Anionic Dithiolene Radical.","Journal of the American Chemical Society","2017","139","20","6859","6862","10.1021/jacs.7b03794","","","0.71073","MoKα","","0.0833","0.0534","","","0.1415","0.1607","","","","","","1.01","","","","has coordinates,has disorder","197431","2020-10-21","18:00:00",""
"4126037","8.499","0.003","9.1139","0.0017","10.798","0.003","91.404","0.018","104.88","0.02","116.48","0.02","714.1","0.4","293.8","0.3","293.8","0.3","","","","","","","","4","P -1","-P 1","2","","","","- C16 H23 N O3 -","- C16 H23 N O3 -","- C32 H46 N2 O6 -","2","1","","Zhao, Xian-He; Zhang, Qing; Du, Ji-Yuan; Lu, Xin-Yun; Cao, Ye-Xing; Deng, Yu-Hua; Fan, Chun-An","Total Synthesis of (±)-Lycojaponicumin D and Lycodoline-Type Lycopodium Alkaloids.","Journal of the American Chemical Society","2017","139","20","7095","7103","10.1021/jacs.7b03280","","x-ray","0.71073","MoKα","","0.1005","0.059","","","0.1238","0.1542","","","","","","1.031","","","","has coordinates","197432","2020-10-21","18:00:00",""
"4126038","7.483","0.0003","13.0673","0.0007","17.5715","0.0008","90","","91.061","0.004","90","","1717.89","0.14","294.09","0.1","294.09","0.1","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C18 H24 Cl N O4 -","- C18 H24 Cl N O4 -","- C72 H96 Cl4 N4 O16 -","4","1","","Zhao, Xian-He; Zhang, Qing; Du, Ji-Yuan; Lu, Xin-Yun; Cao, Ye-Xing; Deng, Yu-Hua; Fan, Chun-An","Total Synthesis of (±)-Lycojaponicumin D and Lycodoline-Type Lycopodium Alkaloids.","Journal of the American Chemical Society","2017","139","20","7095","7103","10.1021/jacs.7b03280","","x-ray","0.71073","MoKα","","0.1072","0.0593","","","0.1189","0.1508","","","","","","1.032","","","","has coordinates","197432","2020-10-21","18:00:00",""
"4126039","10.853","0.0009","7.9767","0.0005","16.4717","0.0016","90","","107.414","0.01","90","","1360.6","0.2","293","2","293","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C16 H25 N O2 -","- C16 H25 N O2 -","- C64 H100 N4 O8 -","4","1","","Zhao, Xian-He; Zhang, Qing; Du, Ji-Yuan; Lu, Xin-Yun; Cao, Ye-Xing; Deng, Yu-Hua; Fan, Chun-An","Total Synthesis of (±)-Lycojaponicumin D and Lycodoline-Type Lycopodium Alkaloids.","Journal of the American Chemical Society","2017","139","20","7095","7103","10.1021/jacs.7b03280","","","0.71073","MoKα","","0.1407","0.0682","","","0.1487","0.1979","","","","","","1.052","","","","has coordinates","197432","2020-10-21","18:00:00",""
"4126040","11.1369","0.0019","12.47","0.002","17.657","0.003","77.331","0.002","75.898","0.002","66.044","0.002","2153.2","0.6","110","2","110","2","","","","","","","","9","P -1","-P 1","2","","","","- C38 H28 Cl F6 O6 P2 Pt S2 Sb -","- C38 H28 Cl F6 O6 P2 Pt S2 Sb -","- C76 H56 Cl2 F12 O12 P4 Pt2 S4 Sb2 -","2","1","","You, Di; Gabbaï, François P","Unmasking the Catalytic Activity of a Platinum Complex with a Lewis Acidic, Non-innocent Antimony Ligand.","Journal of the American Chemical Society","2017","139","20","6843","6846","10.1021/jacs.7b03287","","","0.71073","MoKα","","0.0336","0.0275","","","0.0652","0.0683","","","","","","1.037","","","","has coordinates,has disorder","197428","2020-10-21","18:00:00",""
"4126041","16.2209","0.0004","16.867","0.0005","36.8707","0.0009","79.205","0.002","81.682","0.001","88.126","0.002","9804.8","0.5","100","2","100","","","","","","","","","6","P 1","P 1","1","","","","- C351.35 H440.52 Cl12 N64.17 O73.75 S12 -","- C351.34 H440.51 Cl12 N64.17 O73.75 S12 -","- C351.34 H440.51 Cl12 N64.17 O73.75 S12 -","1","1","","Teng, Peng; Ma, Ning; Cerrato, Darrell Cole; She, Fengyu; Odom, Timothy; Wang, Xiang; Ming, Li-June; van der Vaart, Arjan; Wojtas, Lukasz; Xu, Hai; Cai, Jianfeng","Right-Handed Helical Foldamers Consisting of De Novo d-AApeptides.","Journal of the American Chemical Society","2017","139","21","7363","7369","10.1021/jacs.7b03007","","","1.54178","CuKα","","0.1195","0.0748","","","0.1902","0.226","","","","","","1.01","","","","has coordinates,has disorder","197449","2020-10-21","18:00:00",""
"4126042","19.623","0.008","19.612","0.008","36.77","0.015","90","","90","","90","","14151","10","100","2","100","2","","","","","","","","5","C 2 2 21","C 2c 2","20","","","","- C56 H103 N19 O23 S4 -","- C59.7333 H109.867 N20.2667 O24.5333 S4.26667 -","- C358.4 H659.2 N121.6 O147.2 S25.6 -","6","0.75","","Teng, Peng; Ma, Ning; Cerrato, Darrell Cole; She, Fengyu; Odom, Timothy; Wang, Xiang; Ming, Li-June; van der Vaart, Arjan; Wojtas, Lukasz; Xu, Hai; Cai, Jianfeng","Right-Handed Helical Foldamers Consisting of De Novo d-AApeptides.","Journal of the American Chemical Society","2017","139","21","7363","7369","10.1021/jacs.7b03007","","","0.41425","synchrotron","","0.1346","0.1081","","","0.2749","0.303","","","","","","1.051","","","","has coordinates,has disorder","197449","2020-10-21","18:00:00",""
"4126043","13.8067","0.0003","20.7486","0.0005","35.9788","0.0009","90","","90","","90","","10306.8","0.4","100","2","100","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C94 H121.5 Cl3 N15.5 O20.5 S3 -","- C94 H121.5 Cl3 N15.5 O20.5 S3 -","- C376 H486 Cl12 N62 O82 S12 -","4","1","","Teng, Peng; Ma, Ning; Cerrato, Darrell Cole; She, Fengyu; Odom, Timothy; Wang, Xiang; Ming, Li-June; van der Vaart, Arjan; Wojtas, Lukasz; Xu, Hai; Cai, Jianfeng","Right-Handed Helical Foldamers Consisting of De Novo d-AApeptides.","Journal of the American Chemical Society","2017","139","21","7363","7369","10.1021/jacs.7b03007","","","1.54178","CuKα","","0.0525","0.0481","","","0.1341","0.1388","","","","","","1.002","","","","has coordinates,has disorder","197449","2020-10-21","18:00:00",""
"4126044","16.29","0.003","7.9432","0.0013","18.521","0.003","90","","105.826","0.004","90","","2305.7","0.7","296","2","296","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C30 H26 N2 Si -","- C30 H26 N2 Si -","- C120 H104 N8 Si4 -","4","1","","Han, Yuxi; Zhang, Sutao; He, Jianghua; Zhang, Yuetao","B(C6F5)3-Catalyzed (Convergent) Disproportionation Reaction of Indoles.","Journal of the American Chemical Society","2017","139","21","7399","7407","10.1021/jacs.7b03534","","","0.71073","MoKα","","0.1026","0.0541","","","0.1344","0.1609","","","","","","0.874","","","","has coordinates","197445","2020-10-21","18:00:00",""
"4126045","10.6463","0.0012","19.807","0.002","16.5261","0.0018","90","","96.816","0.002","90","","3460.2","0.6","296","2","296","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C21 H20 F N Si -","- C21 H20 F N Si -","- C168 H160 F8 N8 Si8 -","8","2","","Han, Yuxi; Zhang, Sutao; He, Jianghua; Zhang, Yuetao","B(C6F5)3-Catalyzed (Convergent) Disproportionation Reaction of Indoles.","Journal of the American Chemical Society","2017","139","21","7399","7407","10.1021/jacs.7b03534","","","0.71073","MoKα","","0.1689","0.1116","","","0.2208","0.2502","","","","","","1.169","","","","has coordinates","197445","2020-10-21","18:00:00",""
"4126046","11.945","0.002","26.364","0.005","15.094","0.003","90","","98.517","0.003","90","","4701","1.5","173","2","173.15","","","","","","","","","4","C 1 2/m 1","-C 2y","12","","","","- C70 H68 N24 O4 -","- C70 H68 N24 O4 -","- C140 H136 N48 O8 -","2","0.25","","Lin, Yunxiao; Jiang, Xuanfeng; Kim, Samuel T.; Alahakoon, Sampath B.; Hou, Xisen; Zhang, Zhiyun; Thompson, Christina M.; Smaldone, Ronald A.; Ke, Chenfeng","An Elastic Hydrogen-Bonded Cross-Linked Organic Framework for Effective Iodine Capture in Water.","Journal of the American Chemical Society","2017","139","21","7172","7175","10.1021/jacs.7b03204","","","0.71073","MoKα","","0.1611","0.1103","","","0.3367","0.3706","","","","","","1.248","","","","has coordinates,has disorder","197446","2020-10-21","18:00:00",""
"4126047","9.1514","0.0003","10.2736","0.0003","18.5352","0.0006","92.4907","0.0018","90.7171","0.0016","114.438","0.0014","1584.13","0.09","100","","100","","","","","","","","","6","P -1","-P 1","2","","","","- C36 H38 Mo N2 O P2 -","- C36 H38 Mo N2 O P2 -","- C72 H76 Mo2 N4 O2 P4 -","2","1","","Zhang, Shaoguang; Appel, Aaron M.; Bullock, R. Morris","Reversible Heterolytic Cleavage of the H-H Bond by Molybdenum Complexes: Controlling the Dynamics of Exchange Between Proton and Hydride.","Journal of the American Chemical Society","2017","139","21","7376","7387","10.1021/jacs.7b03053","","","0.71073","MoKα","","0.0515","0.0353","","","0.0666","0.0699","","","","","","0.966","","","","has coordinates","197447","2020-10-21","18:00:00",""
"4126048","9.688","0.002","22.724","0.006","14.402","0.004","90","","96.751","0.008","90","","3148.6","1.4","100","","100","","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C32 H45 Cl Mo N2 O P2 -","- C32 H45 Cl Mo N2 O P2 -","- C128 H180 Cl4 Mo4 N8 O4 P8 -","4","1","","Zhang, Shaoguang; Appel, Aaron M.; Bullock, R. Morris","Reversible Heterolytic Cleavage of the H-H Bond by Molybdenum Complexes: Controlling the Dynamics of Exchange Between Proton and Hydride.","Journal of the American Chemical Society","2017","139","21","7376","7387","10.1021/jacs.7b03053","","","0.71073","MoKα","","0.1345","0.0745","","","0.1166","0.1318","","","","","","1.122","","","","has coordinates,has disorder","197447","2020-10-21","18:00:00",""
"4126049","12.0391","0.0007","14.0027","0.0008","21.2754","0.0012","90","","102.365","0.003","90","","3503.4","0.3","100","","100","","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C32 H45 Cl5 Mo N2 O P2 -","- C32 H45 Cl5 Mo N2 O P2 -","- C128 H180 Cl20 Mo4 N8 O4 P8 -","4","1","","Zhang, Shaoguang; Appel, Aaron M.; Bullock, R. Morris","Reversible Heterolytic Cleavage of the H-H Bond by Molybdenum Complexes: Controlling the Dynamics of Exchange Between Proton and Hydride.","Journal of the American Chemical Society","2017","139","21","7376","7387","10.1021/jacs.7b03053","","","0.71073","MoKα","","0.0836","0.0643","","","0.1723","0.1854","","","","","","1.036","","","","has coordinates,has disorder","197447","2020-10-21","18:00:00",""
"4126050","9.7947","0.0014","10.5732","0.0016","14.69","0.002","96.291","0.006","109.186","0.006","96.237","0.007","1411.1","0.4","100","","100","","","","","","","","","6","P -1","-P 1","2","","","","- C30 H42 Mo N2 O P2 -","- C30 H42 Mo N2 O P2 -","- C60 H84 Mo2 N4 O2 P4 -","2","1","","Zhang, Shaoguang; Appel, Aaron M.; Bullock, R. Morris","Reversible Heterolytic Cleavage of the H-H Bond by Molybdenum Complexes: Controlling the Dynamics of Exchange Between Proton and Hydride.","Journal of the American Chemical Society","2017","139","21","7376","7387","10.1021/jacs.7b03053","","","0.71073","MoKα","","0.0457","0.037","","","0.0881","0.0929","","","","","","1.041","","","","has coordinates","197447","2020-10-21","18:00:00",""
"4126051","11.2757","0.0006","16.421","0.0009","17.3077","0.001","90","","99.103","0.003","90","","3164.3","0.3","100","2","100","","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C64 H92 Mo2 N4 O2 P4 -","- C64 H92 Mo2 N4 O2 P4 -","- C128 H184 Mo4 N8 O4 P8 -","2","0.5","","Zhang, Shaoguang; Appel, Aaron M.; Bullock, R. Morris","Reversible Heterolytic Cleavage of the H-H Bond by Molybdenum Complexes: Controlling the Dynamics of Exchange Between Proton and Hydride.","Journal of the American Chemical Society","2017","139","21","7376","7387","10.1021/jacs.7b03053","","","0.71073","MoKα","","0.0617","0.0408","","","0.097","0.1073","","","","","","1.025","","","","has coordinates","197447","2020-10-21","18:00:00",""
"4126052","41.684","0.003","13.0435","0.001","27.362","0.003","90","","116.837","0.008","90","","13275","2","100","","100","","","","","","","","","8","C 1 2/c 1","-C 2yc","15","","","","- C64 H57 B F24.03 Mo N2 O P2 -","- C64 H57 B F24.0209 Mo N2 O P2 -","- C512 H456 B8 F192.167 Mo8 N16 O8 P16 -","8","1","","Zhang, Shaoguang; Appel, Aaron M.; Bullock, R. Morris","Reversible Heterolytic Cleavage of the H-H Bond by Molybdenum Complexes: Controlling the Dynamics of Exchange Between Proton and Hydride.","Journal of the American Chemical Society","2017","139","21","7376","7387","10.1021/jacs.7b03053","","","0.71073","MoKα","","0.1263","0.0559","","","0.1087","0.1321","","","","","","1.008","","","","has coordinates,has disorder","197447","2020-10-21","18:00:00",""
"4126053","13.5265","0.0008","27.773","0.0016","16.8162","0.001","90","","106.004","0.003","90","","6072.5","0.6","100","","100","","","","","","","","","8","P 1 21/c 1","-P 2ybc","14","","","","- C58 H61 B F23.97 Mo N2 O P2 -","- C58 H61 B F24.173 Mo N2 O P2 -","- C232 H244 B4 F96.692 Mo4 N8 O4 P8 -","4","1","","Zhang, Shaoguang; Appel, Aaron M.; Bullock, R. Morris","Reversible Heterolytic Cleavage of the H-H Bond by Molybdenum Complexes: Controlling the Dynamics of Exchange Between Proton and Hydride.","Journal of the American Chemical Society","2017","139","21","7376","7387","10.1021/jacs.7b03053","","","0.71073","MoKα","","0.0746","0.0558","","","0.1366","0.1502","","","","","","1.063","","","","has coordinates,has disorder","197447","2020-10-21","18:00:00",""
"4126054","13.2113","0.0005","13.651","0.0005","17.8513","0.0006","92.944","0.002","104.231","0.002","91.563","0.002","3113.9","0.2","100","","100","","","","","","","","","8","P -1","-P 1","2","","","","- C62 H53 B F24 Mo N2 O P2 -","- C62 H53 B F24 Mo N2 O P2 -","- C124 H106 B2 F48 Mo2 N4 O2 P4 -","2","1","","Zhang, Shaoguang; Appel, Aaron M.; Bullock, R. Morris","Reversible Heterolytic Cleavage of the H-H Bond by Molybdenum Complexes: Controlling the Dynamics of Exchange Between Proton and Hydride.","Journal of the American Chemical Society","2017","139","21","7376","7387","10.1021/jacs.7b03053","","","0.71073","MoKα","","0.0731","0.0498","","","0.1133","0.1253","","","","","","1.023","","","","has coordinates,has disorder","197447","2020-10-21","18:00:00",""
"4126055","11.2286","0.001","17.0101","0.0015","18.6624","0.0017","80.605","0.006","73.299","0.005","74.608","0.006","3277.1","0.5","100","","100","","","","","","","","","8","P -1","-P 1","2","","","","- C68 H49 B F24.28 Mo N2 O P2 -","- C68 H49 B F24.28 Mo N2 O P2 -","- C136 H98 B2 F48.56 Mo2 N4 O2 P4 -","2","1","","Zhang, Shaoguang; Appel, Aaron M.; Bullock, R. Morris","Reversible Heterolytic Cleavage of the H-H Bond by Molybdenum Complexes: Controlling the Dynamics of Exchange Between Proton and Hydride.","Journal of the American Chemical Society","2017","139","21","7376","7387","10.1021/jacs.7b03053","","","0.71073","MoKα","","0.2124","0.089","","","0.2054","0.252","","","","","","1.029","","","","has coordinates,has disorder","197447","2020-10-21","18:00:00",""
"4126056","11.3495","0.0008","16.8735","0.0013","18.6417","0.0014","89.961","0.004","72.33","0.003","74.987","0.004","3273.7","0.4","150","","150","","","","","","","","","8","P -1","-P 1","2","","","","- C68 H51 B F24 Mo N2 O P2 -","- C68 H51 B F24 Mo N2 O P2 -","- C136 H102 B2 F48 Mo2 N4 O2 P4 -","2","1","","Zhang, Shaoguang; Appel, Aaron M.; Bullock, R. Morris","Reversible Heterolytic Cleavage of the H-H Bond by Molybdenum Complexes: Controlling the Dynamics of Exchange Between Proton and Hydride.","Journal of the American Chemical Society","2017","139","21","7376","7387","10.1021/jacs.7b03053","","","0.71073","MoKα","","0.0978","0.0629","","","0.1536","0.1709","","","","","","1.034","","","","has coordinates,has disorder","197447","2020-10-21","18:00:00",""
"4126057","12.7123","0.0006","17.4489","0.0008","21.6927","0.0011","68.854","0.003","82.049","0.003","73.29","0.003","4295","0.4","100","","100","","","","","","","","","8","P -1","-P 1","2","","","","- C93 H69.5 B F28.5 Mo N2 O P2 -","- C93 H69.5 B F28.5 Mo N2 O P2 -","- C186 H139 B2 F57 Mo2 N4 O2 P4 -","2","1","","Zhang, Shaoguang; Appel, Aaron M.; Bullock, R. Morris","Reversible Heterolytic Cleavage of the H-H Bond by Molybdenum Complexes: Controlling the Dynamics of Exchange Between Proton and Hydride.","Journal of the American Chemical Society","2017","139","21","7376","7387","10.1021/jacs.7b03053","","","0.71073","MoKα","","0.0978","0.0618","","","0.1582","0.1807","","","","","","1.037","","","","has coordinates,has disorder","197447","2020-10-21","18:00:00",""
"4126058","10.144","0.0007","23.5478","0.0017","27.059","0.0019","90","","96.564","0.004","90","","6421.2","0.8","100","","100","","","","","","","","","8","P 1 21/n 1","-P 2yn","14","","","","- C64 H59 B F24 Mo N2 O P2 -","- C64 H59 B F24 Mo N2 O P2 -","- C256 H236 B4 F96 Mo4 N8 O4 P8 -","4","1","","Zhang, Shaoguang; Appel, Aaron M.; Bullock, R. Morris","Reversible Heterolytic Cleavage of the H-H Bond by Molybdenum Complexes: Controlling the Dynamics of Exchange Between Proton and Hydride.","Journal of the American Chemical Society","2017","139","21","7376","7387","10.1021/jacs.7b03053","","","0.71073","MoKα","","0.0932","0.06","","","0.1398","0.1555","","","","","","1.022","","","","has coordinates,has disorder","197447","2020-10-21","18:00:00",""
"4126059","9.3013","0.0008","17.9188","0.0014","20.267","0.0017","107.945","0.003","96.254","0.004","98.054","0.003","3140.1","0.5","100","","100","","","","","","","","","8","P -1","-P 1","2","","","","- C65 H57 B F24.5 Mo N2 O P2 -","- C65 H57 B F24.5 Mo N2 O P2 -","- C130 H114 B2 F49 Mo2 N4 O2 P4 -","2","1","","Zhang, Shaoguang; Appel, Aaron M.; Bullock, R. Morris","Reversible Heterolytic Cleavage of the H-H Bond by Molybdenum Complexes: Controlling the Dynamics of Exchange Between Proton and Hydride.","Journal of the American Chemical Society","2017","139","21","7376","7387","10.1021/jacs.7b03053","","","0.71073","MoKα","","0.0874","0.0483","","","0.1139","0.1274","","","","","","1.042","","","","has coordinates,has disorder","197447","2020-10-21","18:00:00",""
"4126060","12.3134","0.0017","15.661","0.002","20.705","0.003","90","","107.129","0.003","90","","3815.7","0.9","100","2","100","2","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","Title","","- C43 H38 B Fe N6 P2 Rh -","- C43 H38 B Fe N6 P2 Rh -","- C172 H152 B4 Fe4 N24 P8 Rh4 -","4","1","","Ye, Fei; Chen, Junting; Ritter, Tobias","Rh-Catalyzed Anti-Markovnikov Hydrocyanation of Terminal Alkynes.","Journal of the American Chemical Society","2017","139","21","7184","7187","10.1021/jacs.7b03749","","","0.71073","Mo-Kα","","0.0473","0.0321","","","0.0694","0.0757","","","","","","1.042","","","","has coordinates","197448","2020-10-21","18:00:00",""
"4126061","14.068","0.003","14.068","0.003","12.289","0.002","90","0.03","90","0.03","90","0.03","2432.1","0.8","293","2","293","2","","","","","","","","6","P -4 21 m","P -4 2ab","113","","","","- C13 H3 In0.5 N3 O11 S -","- C12 H3 In0.5 N1.5 O9 S -","- C48 H12 In2 N6 O36 S4 -","4","0.5","","Lin, Jian-Bin; Romero, Zaida; Shimizu, George K. H.; Joarder, Biplab","Single Crystal Proton Conduction Study of a Metal Organic Framework of Modest Water Stability.","Journal of the American Chemical Society","2017","","","","","10.1021/jacs.7b03397","","","0.7107","MoKα","","0.0954","0.0803","","","0.2339","0.2561","","","","","","1.141","","","","has coordinates,has disorder","196824","2020-10-21","18:00:00",""
"4126062","6.4628","0.0003","12.406","0.0005","13.1362","0.0006","70.445","0.001","86.393","0.001","76.913","0.001","966.61","0.07","100","2","100","","","","","","","","","3","P 1","P 1","1","","","","- C22 H32 O4 -","- C22 H32 O4 -","- C44 H64 O8 -","2","2","","Kawamata, Yu; Yan, Ming; Liu, Zhiqing; Bao, Deng-Hui; Chen, Jinshan; Starr, Jeremy T.; Baran, Phil S.","Scalable, Electrochemical Oxidation of Unactivated C-H Bonds.","Journal of the American Chemical Society","2017","139","22","7448","7451","10.1021/jacs.7b03539","","x-ray","1.54178","CuKα","K-L~3~","0.0293","0.0292","","","0.0823","0.0824","","","","","","1.052","","","","has coordinates,has disorder","200664","2020-10-21","18:00:00",""
"4126063","21.388","0.004","21.388","","12.031","0.004","90","","90","","90","","5504","2","298","","298","","","","","","","","","5","P 4/n :2","-P 4a","85","","","","- C26 H20 N4 O6 Zn -","- C26 H20 N4 O6 Zn -","- C208 H160 N32 O48 Zn8 -","8","1","","Pei, Wen-Yuan; Xu, Guohai; Yang, Jin; Wu, Hui; Chen, Banglin; Zhou, Wei; Ma, Jian-Fang","Versatile Assembly of Metal-Coordinated Calix[4]resorcinarene Cavitands and Cages through Ancillary Linker Tuning.","Journal of the American Chemical Society","2017","139","22","7648","7656","10.1021/jacs.7b03169","powder diffraction","x-ray","1.5418","CuKα","","","","","","","","0.04794","","4.46","","","","","","","has coordinates","199577","2020-10-21","18:00:00",""
"4126064","25.8236","0.001","25.8236","0.001","12.2441","0.0013","90","","90","","90","","8165.1","1","293","2","293","2","","","","","","","","5","P 4/n :2","-P 4a","85","","","","- C122 H126 N22 O32 Zn4 -","- C104 H80 N16 O24 Zn4 -","- C208 H160 N32 O48 Zn8 -","2","0.25","","Pei, Wen-Yuan; Xu, Guohai; Yang, Jin; Wu, Hui; Chen, Banglin; Zhou, Wei; Ma, Jian-Fang","Versatile Assembly of Metal-Coordinated Calix[4]resorcinarene Cavitands and Cages through Ancillary Linker Tuning.","Journal of the American Chemical Society","2017","139","22","7648","7656","10.1021/jacs.7b03169","","","0.71073","MoKα","","0.1845","0.0795","","","0.2131","0.2482","","","","","","0.854","","","","has coordinates","199577","2020-10-21","18:00:00",""
"4126065","19.3658","0.0016","19.5266","0.0018","27.211","0.002","85.809","0.004","83.726","0.003","64.922","0.003","9259.9","1.4","153","2","153","2","","","","","","","","5","P -1","-P 1","2","","","","- C290 H282 N30 O62 Zn8 -","- C272 H232 N24 O56 Zn8 -","- C272 H232 N24 O56 Zn8 -","1","0.5","","Pei, Wen-Yuan; Xu, Guohai; Yang, Jin; Wu, Hui; Chen, Banglin; Zhou, Wei; Ma, Jian-Fang","Versatile Assembly of Metal-Coordinated Calix[4]resorcinarene Cavitands and Cages through Ancillary Linker Tuning.","Journal of the American Chemical Society","2017","139","22","7648","7656","10.1021/jacs.7b03169","","","0.71073","MoKα","","0.0986","0.0758","","","0.2307","0.2502","","","","","","1.099","","","","has coordinates","199577","2020-10-21","18:00:00",""
"4126066","26.2705","0.0007","26.2705","0.0007","12.6469","0.001","90","","90","","90","","8728.1","0.8","293","2","293","2","","","","","","","","5","P 4/n :2","-P 4a","85","","","","- C139 H123 N21 O29 Zn4 -","- C124 H88 N16 O24 Zn4 -","- C248 H176 N32 O48 Zn8 -","2","0.25","","Pei, Wen-Yuan; Xu, Guohai; Yang, Jin; Wu, Hui; Chen, Banglin; Zhou, Wei; Ma, Jian-Fang","Versatile Assembly of Metal-Coordinated Calix[4]resorcinarene Cavitands and Cages through Ancillary Linker Tuning.","Journal of the American Chemical Society","2017","139","22","7648","7656","10.1021/jacs.7b03169","","","0.71073","MoKα","","0.139","0.0771","","","0.2227","0.2532","","","","","","0.883","","","","has coordinates","199577","2020-10-21","18:00:00",""
"4126067","25.847","0.0009","25.847","0.0009","12.2338","0.0011","90","","90","","90","","8173","0.8","293","2","293","2","","","","","","","","5","P 4/n :2","-P 4a","85","","","","- C113 H99 N15 O32 Zn4 -","- C104 H76 N12 O28 Zn4 -","- C208 H152 N24 O56 Zn8 -","2","0.25","","Pei, Wen-Yuan; Xu, Guohai; Yang, Jin; Wu, Hui; Chen, Banglin; Zhou, Wei; Ma, Jian-Fang","Versatile Assembly of Metal-Coordinated Calix[4]resorcinarene Cavitands and Cages through Ancillary Linker Tuning.","Journal of the American Chemical Society","2017","139","22","7648","7656","10.1021/jacs.7b03169","","","0.71073","MoKα","","0.1617","0.0825","","","0.2375","0.2697","","","","","","0.796","","","","has coordinates","199577","2020-10-21","18:00:00",""
"4126068","11.3283","0.0003","12.3518","0.0003","17.8043","0.0006","94.985","0.003","91.707","0.002","116.401","0.003","2216.45","0.13","100","0.3","100","0.3","","","","","","","","3","P -1","-P 1","2","","","","- C133 H92 O -","- C133 H92 O -","- C133 H92 O -","1","0.5","","Liu, Junzhi; Ma, Ji; Zhang, Ke; Ravat, Prince; Machata, Peter; Avdoshenko, Stanislav M.; Hennersdorf, Felix; Komber, Hartmut; Pisula, Wojciech; Weigand, Jan J.; Popov, Alexey A.; Berger, Reinhard; Müllen, Klaus; Feng, Xinliang","π-Extended and Curved Anti-Aromatic Polycyclic Hydrocarbons.","Journal of the American Chemical Society","2017","","","","","10.1021/jacs.7b01619","","x-ray","1.54184","CuKα","","0.046","0.0445","","","0.1167","0.1182","","","","","","1.035","","","","has coordinates","196947","2020-10-21","18:00:00",""
"4126069","15.4981","0.0017","9.1422","0.0007","15.922","0.0012","90","","98.939","0.01","90","","2228.5","0.3","100","0.2","100","0.2","","","","","","","","2","P 1 21/c 1","-P 2ybc","14","","","","- C62 H56 -","- C62 H56 -","- C124 H112 -","2","0.5","","Liu, Junzhi; Ma, Ji; Zhang, Ke; Ravat, Prince; Machata, Peter; Avdoshenko, Stanislav M.; Hennersdorf, Felix; Komber, Hartmut; Pisula, Wojciech; Weigand, Jan J.; Popov, Alexey A.; Berger, Reinhard; Müllen, Klaus; Feng, Xinliang","π-Extended and Curved Anti-Aromatic Polycyclic Hydrocarbons.","Journal of the American Chemical Society","2017","","","","","10.1021/jacs.7b01619","","x-ray","1.54184","CuKα","","0.096","0.0767","","","0.1939","0.2068","","","","","","1.063","","","","has coordinates","196948","2020-10-21","18:00:00",""
"4126070","9.4048","0.0005","9.2801","0.0005","17.2135","0.0009","90","","98.63","0.003","90","","1485.34","0.14","100","2","100","2","","","","","","","","6","P 1 21 1","P 2yb","4","SVK3_32","","","- C23 H23 F18 Mo N O7 -","- C23 H23 F18 Mo N O7 -","- C46 H46 F36 Mo2 N2 O14 -","2","1","","von Kugelgen, Stephen; Sifri, Renee; Bellone, Donatela; Fischer, Felix R.","Regioselective Carbyne Transfer to Ring-Opening Alkyne Metathesis Initiators Gives Access to Telechelic Polymers.","Journal of the American Chemical Society","2017","","","","","10.1021/jacs.7b02225","","","0.71073","MoKα","","0.0544","0.04","","","0.0768","0.082","","","","","","0.994","","","","has coordinates","196975","2020-10-21","18:00:00",""
"4126071","14.3977","0.0005","14.4686","0.0006","15.8068","0.0007","90","","100.49","0.002","90","","3237.8","0.2","100","2","100","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","SVK2_207","SVK2_207","","- C25 H29 F18 Mo N O5 -","- C25 H29 F18 Mo N O5 -","- C100 H116 F72 Mo4 N4 O20 -","4","1","","von Kugelgen, Stephen; Sifri, Renee; Bellone, Donatela; Fischer, Felix R.","Regioselective Carbyne Transfer to Ring-Opening Alkyne Metathesis Initiators Gives Access to Telechelic Polymers.","Journal of the American Chemical Society","2017","","","","","10.1021/jacs.7b02225","","","0.71073","MoKα","","0.0426","0.0396","","","0.0997","0.1021","","","","","","1.051","","","","has coordinates","196976","2020-10-21","18:00:00",""
"4126072","9.7032","0.0006","11.2509","0.0008","14.4342","0.001","99.726","0.005","91.809","0.005","93.757","0.005","1548.33","0.18","100","2","100","2","","","","","","","","3","P -1","-P 1","2","compound 3","1,4.bis(9H-carbazol-9-yl)phenyl)ethynyl)benzene","","- C46 H28 N2 -","- C46 H28 N2 -","- C92 H56 N4 -","2","1","","Aguilar-Granda, Andrés; Pérez-Estrada, Salvador; Sánchez-González, Elı; Álvarez, J Raziel; Rodríguez-Hernández, Joelis; Rodríguez, Mario; Roa, Arian E.; Hernández-Ortega, Simón; Ibarra, Ilich A.; Rodríguez-Molina, Braulio","Transient Porosity in Densely Packed Crystalline Carbazole-(p-Diethynylphenylene)-Carbazole Rotors: CO2 and Acetone Sorption Properties.","Journal of the American Chemical Society","2017","139","22","7549","7557","10.1021/jacs.7b02015","","","1.0333","synchrotron","","0.1392","0.1037","","","0.2382","0.2568","","","","","","1.035","","","","has coordinates,has disorder","200665","2020-10-21","18:00:00",""
"4126073","11.7531","0.0008","14.5081","0.0009","20.6459","0.0017","104.277","0.003","99.855","0.003","110.189","0.002","3072.4","0.4","100","2","100","","","","","","","","","4","P -1","-P 1","2","","","","- C10 H20 B10 O -","- C10 H20 B10 O -","- C80 H160 B80 O8 -","8","4","","Dziedzic, Rafal Miroslaw; Martin, Joshua L.; Axtell, Jonathan C.; Saleh, Liban M. A.; Ong, Ta-Chung; Yang, Yun-Fang; Messina, Marco S.; Rheingold, Arnold L.; Houk, Kendall N.; Spokoyny, Alexander M.","Cage-walking: Vertex Differentiation by Palladium-Catalyzed Isomerization of B(9)-Bromo-meta-Carborane.","Journal of the American Chemical Society","2017","","","","","10.1021/jacs.7b04080","","","0.71073","MoKα","","0.081","0.0598","","","0.15","0.166","","","","","","1.044","","","","has coordinates","197162","2020-10-21","18:00:00",""
"4126074","11.0205","0.0014","18.651","0.002","7.7745","0.0009","90","","103.99","0.005","90","","1550.6","0.3","100","","100","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C10 H20 B10 O -","- C10 H20 B10 O -","- C40 H80 B40 O4 -","4","1","","Dziedzic, Rafal Miroslaw; Martin, Joshua L.; Axtell, Jonathan C.; Saleh, Liban M. A.; Ong, Ta-Chung; Yang, Yun-Fang; Messina, Marco S.; Rheingold, Arnold L.; Houk, Kendall N.; Spokoyny, Alexander M.","Cage-walking: Vertex Differentiation by Palladium-Catalyzed Isomerization of B(9)-Bromo-meta-Carborane.","Journal of the American Chemical Society","2017","","","","","10.1021/jacs.7b04080","","x-ray","0.71073","MoKα","K-L~3~","0.0832","0.0592","","","0.13","0.1403","","","","","","1.113","","","","has coordinates","197162","2020-10-21","18:00:00",""
"4126075","11.895","0.002","15.005","0.003","20.362","0.003","105.498","0.004","99.46","0.004","110.281","0.006","3149.5","1","100","","100","","","","","","","","","4","P -1","-P 1","2","","","","- C10 H20 B10 O -","- C10 H20 B10 O -","- C80 H160 B80 O8 -","8","4","","Dziedzic, Rafal Miroslaw; Martin, Joshua L.; Axtell, Jonathan C.; Saleh, Liban M. A.; Ong, Ta-Chung; Yang, Yun-Fang; Messina, Marco S.; Rheingold, Arnold L.; Houk, Kendall N.; Spokoyny, Alexander M.","Cage-walking: Vertex Differentiation by Palladium-Catalyzed Isomerization of B(9)-Bromo-meta-Carborane.","Journal of the American Chemical Society","2017","","","","","10.1021/jacs.7b04080","","x-ray","0.71073","MoKα","K-L~3~","0.0944","0.0589","","","0.147","0.1682","","","","","","1.053","","","","has coordinates","197162","2020-10-21","18:00:00",""
"4126076","7.834","","13.872","","14.386","","90","","90","","90","","1563.37","","100","","100","","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C10 H20 B10 O -","- C10 H20 B10 O -","- C40 H80 B40 O4 -","4","1","","Dziedzic, Rafal Miroslaw; Martin, Joshua L.; Axtell, Jonathan C.; Saleh, Liban M. A.; Ong, Ta-Chung; Yang, Yun-Fang; Messina, Marco S.; Rheingold, Arnold L.; Houk, Kendall N.; Spokoyny, Alexander M.","Cage-walking: Vertex Differentiation by Palladium-Catalyzed Isomerization of B(9)-Bromo-meta-Carborane.","Journal of the American Chemical Society","2017","","","","","10.1021/jacs.7b04080","","","1.54184","CuKα","","0.0618","0.0527","","","0.1384","0.1458","","","","","","1.08","","","","has coordinates","197162","2020-10-21","18:00:00",""
"4126077","8.6489","0.0005","13.1773","0.0008","13.8649","0.0011","90","","94.794","0.004","90","","1574.64","0.18","100","","100","","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C10 H20 B10 O -","- C10 H20 B10 O -","- C40 H80 B40 O4 -","4","1","","Dziedzic, Rafal Miroslaw; Martin, Joshua L.; Axtell, Jonathan C.; Saleh, Liban M. A.; Ong, Ta-Chung; Yang, Yun-Fang; Messina, Marco S.; Rheingold, Arnold L.; Houk, Kendall N.; Spokoyny, Alexander M.","Cage-walking: Vertex Differentiation by Palladium-Catalyzed Isomerization of B(9)-Bromo-meta-Carborane.","Journal of the American Chemical Society","2017","","","","","10.1021/jacs.7b04080","","x-ray","0.71073","MoKα","","0.0963","0.0694","","","0.2004","0.2206","","","","","","1.078","","","","has coordinates","197162","2020-10-21","18:00:00",""
"4126078","11.5496","0.0003","6.8211","0.0002","18.6932","0.0004","90","","94.936","0.001","90","","1467.21","0.07","100","2","100","","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C10 H15 B10 N O2 -","- C10 H15 B10 N O2 -","- C40 H60 B40 N4 O8 -","4","1","","Dziedzic, Rafal Miroslaw; Martin, Joshua L.; Axtell, Jonathan C.; Saleh, Liban M. A.; Ong, Ta-Chung; Yang, Yun-Fang; Messina, Marco S.; Rheingold, Arnold L.; Houk, Kendall N.; Spokoyny, Alexander M.","Cage-walking: Vertex Differentiation by Palladium-Catalyzed Isomerization of B(9)-Bromo-meta-Carborane.","Journal of the American Chemical Society","2017","","","","","10.1021/jacs.7b04080","","","1.54178","CuKα","","0.0586","0.0553","","","0.1297","0.1343","","","","","","1.086","","","","has coordinates","197162","2020-10-21","18:00:00",""
"4126079","7.0828","0.0001","7.5414","0.0001","27.6234","0.0005","90","","96.54","0.001","90","","1465.88","0.04","100","","100","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C10 H15 B10 N O2 -","- C10 H15 B10 N O2 -","- C40 H60 B40 N4 O8 -","4","1","","Dziedzic, Rafal Miroslaw; Martin, Joshua L.; Axtell, Jonathan C.; Saleh, Liban M. A.; Ong, Ta-Chung; Yang, Yun-Fang; Messina, Marco S.; Rheingold, Arnold L.; Houk, Kendall N.; Spokoyny, Alexander M.","Cage-walking: Vertex Differentiation by Palladium-Catalyzed Isomerization of B(9)-Bromo-meta-Carborane.","Journal of the American Chemical Society","2017","","","","","10.1021/jacs.7b04080","","","1.54178","CuKα","","0.0646","0.058","","","0.1585","0.1657","","","","","","1.043","","","","has coordinates","197162","2020-10-21","18:00:00",""
"4126080","6.8825","0.0001","34.5844","0.0005","12.4876","0.0002","90","","93.418","0.001","90","","2967.1","0.08","100","","100","","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C10 H15 B10 N O2 -","- C10 H15 B10 N O2 -","- C80 H120 B80 N8 O16 -","8","2","","Dziedzic, Rafal Miroslaw; Martin, Joshua L.; Axtell, Jonathan C.; Saleh, Liban M. A.; Ong, Ta-Chung; Yang, Yun-Fang; Messina, Marco S.; Rheingold, Arnold L.; Houk, Kendall N.; Spokoyny, Alexander M.","Cage-walking: Vertex Differentiation by Palladium-Catalyzed Isomerization of B(9)-Bromo-meta-Carborane.","Journal of the American Chemical Society","2017","","","","","10.1021/jacs.7b04080","","","1.54178","CuKα","","0.071","0.0654","","","0.1551","0.1615","","","","","","1.09","","","","has coordinates","197162","2020-10-21","18:00:00",""
"4126081","32.31","0.004","14.892","0.002","17.754","0.002","90","","90","","90","","8542.5","1.8","100","","100","","","","","","","","","3","P b c n","-P 2n 2ab","60","","","","- C9 H18 B10 -","- C9 H18 B10 -","- C216 H432 B240 -","24","3","","Dziedzic, Rafal Miroslaw; Martin, Joshua L.; Axtell, Jonathan C.; Saleh, Liban M. A.; Ong, Ta-Chung; Yang, Yun-Fang; Messina, Marco S.; Rheingold, Arnold L.; Houk, Kendall N.; Spokoyny, Alexander M.","Cage-walking: Vertex Differentiation by Palladium-Catalyzed Isomerization of B(9)-Bromo-meta-Carborane.","Journal of the American Chemical Society","2017","","","","","10.1021/jacs.7b04080","","","0.71073","MoKα","","0.1104","0.0586","","","0.1267","0.1489","","","","","","1.036","","","","has coordinates","197162","2020-10-21","18:00:00",""
"4126082","4.8941","0.0012","11.54","0.003","11.594","0.003","70.969","0.002","85.557","0.003","80.892","0.003","611","0.3","100","2","100","2","","","","","","","","4","P -1","-P 1","2","","","","- C17 H11 N O2 -","- C17 H11 N O2 -","- C34 H22 N2 O4 -","2","1","","Watanabe, Takuma; Mutoh, Yuichiro; Saito, Shinichi","Ruthenium-Catalyzed Cycloisomerization of 2-Alkynylanilides: Synthesis of 3-Substituted Indoles by 1,2-Carbon Migration.","Journal of the American Chemical Society","2017","","","","","10.1021/jacs.7b04564","","","0.71073","MoKα","","0.0479","0.0409","","","0.0996","0.1048","","","","","","1.044","","","","has coordinates,has disorder","197163","2020-10-21","18:00:00",""
"4126083","10.5326","0.0016","10.9014","0.0016","12.8169","0.0019","90","","114.097","0.002","90","","1343.4","0.3","100","2","100","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C17 H15 N O2 -","- C17 H15 N O2 -","- C68 H60 N4 O8 -","4","1","","Watanabe, Takuma; Mutoh, Yuichiro; Saito, Shinichi","Ruthenium-Catalyzed Cycloisomerization of 2-Alkynylanilides: Synthesis of 3-Substituted Indoles by 1,2-Carbon Migration.","Journal of the American Chemical Society","2017","","","","","10.1021/jacs.7b04564","","","0.71073","MoKα","","0.0521","0.0459","","","0.1139","0.1193","","","","","","1.117","","","","has coordinates","197164","2020-10-21","18:00:00",""
"4126084","12.0059","0.0013","12.0835","0.0013","19.337","0.002","90","","90","","90","","2805.3","0.5","100","2","100","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C18 H17 N O -","- C18 H17 N O -","- C144 H136 N8 O8 -","8","1","","Watanabe, Takuma; Mutoh, Yuichiro; Saito, Shinichi","Ruthenium-Catalyzed Cycloisomerization of 2-Alkynylanilides: Synthesis of 3-Substituted Indoles by 1,2-Carbon Migration.","Journal of the American Chemical Society","2017","","","","","10.1021/jacs.7b04564","","","0.71073","MoKα","","0.0453","0.0386","","","0.0999","0.106","","","","","","1.031","","","","has coordinates","197165","2020-10-21","18:00:00",""
"4126085","17.7958","0.001","16.933","0.0009","6.5073","0.0003","90","","90","","90","","1960.89","0.18","100","","100","","","","","","","","","3","P n a 21","P 2c -2n","33","","","","- C22 H33 N -","- C22 H33 N -","- C88 H132 N4 -","4","1","","Tomás-Mendivil, Eder; Hansmann, Max M.; Weinstein, Cory M.; Jazzar, Rodolphe; Melaimi, Mohand; Bertrand, Guy","Bicyclic (Alkyl)(amino)carbenes (BICAACs): Stable Carbenes more Ambiphilic than CAACs.","Journal of the American Chemical Society","2017","","","","","10.1021/jacs.7b04640","","","0.71073","MoKα","","0.0497","0.0371","","","0.0832","0.0893","","","","","","1.064","","","","has coordinates,has disorder","197166","2020-10-21","18:00:00",""
"4126086","6.7049","0.0003","10.1042","0.0005","15.8157","0.0008","92.629","0.003","92.899","0.003","102.82","0.002","1041.64","0.09","100","","100","","","","","","","","","3","P -1","-P 1","2","","","","- C24 H37 N -","- C24 H37 N -","- C48 H74 N2 -","2","1","","Tomás-Mendivil, Eder; Hansmann, Max M.; Weinstein, Cory M.; Jazzar, Rodolphe; Melaimi, Mohand; Bertrand, Guy","Bicyclic (Alkyl)(amino)carbenes (BICAACs): Stable Carbenes more Ambiphilic than CAACs.","Journal of the American Chemical Society","2017","","","","","10.1021/jacs.7b04640","","x-ray","1.54178","CuKα","K-L~3~","0.0432","0.0375","","","0.0938","0.0981","","","","","","1.049","","","","has coordinates","197166","2020-10-21","18:00:00",""
"4126087","10.4452","0.0015","11.9506","0.0019","18.948","0.003","102.972","0.005","92.218","0.005","112.649","0.005","2106.4","0.6","100","","100","","","","","","","","","5","P -1","-P 1","2","","","","- C44 H66 Br2 Cu2 N2 -","- C44 H66 Br2 Cu2 N2 -","- C88 H132 Br4 Cu4 N4 -","2","1","","Tomás-Mendivil, Eder; Hansmann, Max M.; Weinstein, Cory M.; Jazzar, Rodolphe; Melaimi, Mohand; Bertrand, Guy","Bicyclic (Alkyl)(amino)carbenes (BICAACs): Stable Carbenes more Ambiphilic than CAACs.","Journal of the American Chemical Society","2017","","","","","10.1021/jacs.7b04640","","x-ray","0.71073","MoKα","K-L~3~","0.0631","0.0443","","","0.1193","0.1243","","","","","","1.034","","","","has coordinates","197166","2020-10-21","18:00:00",""
"4126088","14.939","0.002","10.5023","0.0014","29.448","0.004","90","","90","","90","","4620.2","1.1","100","","100","","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C24 H37 Br Cu N -","- C24 H37 Br Cu N -","- C192 H296 Br8 Cu8 N8 -","8","1","","Tomás-Mendivil, Eder; Hansmann, Max M.; Weinstein, Cory M.; Jazzar, Rodolphe; Melaimi, Mohand; Bertrand, Guy","Bicyclic (Alkyl)(amino)carbenes (BICAACs): Stable Carbenes more Ambiphilic than CAACs.","Journal of the American Chemical Society","2017","","","","","10.1021/jacs.7b04640","","x-ray","0.71073","MoKα","K-L~3~","0.0725","0.0409","","","0.0754","0.0846","","","","","","1.017","","","","has coordinates,has disorder","197166","2020-10-21","18:00:00",""
"4126089","7.7624","0.0005","17.4793","0.001","29.6843","0.0016","90","","90","","90","","4027.6","0.4","100","","100","","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C22 H33 N Se -","- C22 H33 N Se -","- C176 H264 N8 Se8 -","8","1","","Tomás-Mendivil, Eder; Hansmann, Max M.; Weinstein, Cory M.; Jazzar, Rodolphe; Melaimi, Mohand; Bertrand, Guy","Bicyclic (Alkyl)(amino)carbenes (BICAACs): Stable Carbenes more Ambiphilic than CAACs.","Journal of the American Chemical Society","2017","","","","","10.1021/jacs.7b04640","","x-ray","0.71073","MoKα","K-L~3~","0.0936","0.0503","","","0.096","0.1113","","","","","","1.021","","","","has coordinates","197166","2020-10-21","18:00:00",""
"4126090","17.6222","0.0007","7.8352","0.0003","15.0574","0.0006","90","","90","","90","","2079.03","0.14","100","2","100","2","","","","","","","","4","P c a 21","P 2c -2ac","29","","","","- C22 H35 N Se -","- C22 H35 N Se -","- C88 H140 N4 Se4 -","4","1","","Tomás-Mendivil, Eder; Hansmann, Max M.; Weinstein, Cory M.; Jazzar, Rodolphe; Melaimi, Mohand; Bertrand, Guy","Bicyclic (Alkyl)(amino)carbenes (BICAACs): Stable Carbenes more Ambiphilic than CAACs.","Journal of the American Chemical Society","2017","","","","","10.1021/jacs.7b04640","","x-ray","0.71073","MoKα","","0.0564","0.0347","","","0.0571","0.0626","","","","","","1.02","","","","has coordinates","197166","2020-10-21","18:00:00",""
"4126091","11.4293","0.0006","13.6674","0.0007","14.6206","0.0008","66.228","0.001","82.123","0.001","83.618","0.001","2066.43","0.19","200","2","200","2","","","","","","","","5","P -1","-P 1","2","","","","- C84 H126 I2 P2 Pd -","- C84 H126 I2 P2 Pd -","- C84 H126 I2 P2 Pd -","1","0.5","","Cinderella, Andrew P.; Vulovic, Bojan; Watson, Donald A.","Palladium-Catalyzed Cross-Coupling of Silyl Electrophiles with Alkylzinc Halides: A Silyl-Negishi Reaction.","Journal of the American Chemical Society","2017","","","","","10.1021/jacs.7b04364","","","0.71073","MoKα","","0.0435","0.0349","","","0.081","0.0885","","","","","","1.052","","","","has coordinates","197167","2020-10-21","18:00:00",""
"4126092","39.828","0.014","39.828","0.014","39.828","0.014","90","","90","","90","","63178","4","100","2","100","2","","","","","","","","5","F d -3 m","-F 4vw 2vw 3","227","","","","- C144 H52 F24 Hf6 O32 -","- C144 H48 F24 Hf6 O32 -","- C1152 H384 F192 Hf48 O256 -","8","","","Marshall, Ross J.; Kalinovskyy, Yaroslav; Griffin, Sarah L.; Wilson, Claire; Blight, Barry A.; Forgan, Ross S.","Functional Versatility of a Series of Zr Metal-Organic Frameworks Probed by Solid-State Photoluminescence Spectroscopy.","Journal of the American Chemical Society","2017","139","17","6253","6260","10.1021/jacs.7b02184","","","0.71073","MoKα","","0.1425","0.0739","","","0.1957","0.2661","","","","","","0.985","","","","has coordinates","197240","2020-10-21","18:00:00",""
"4126093","9.5707","0.0003","11.0072","0.0004","13.723","0.0005","74.409","0.003","74.79","0.003","75.265","0.003","1317.16","0.08","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","","","- C30 H26 F2 N2 O6 -","- C30 H26 F2 N2 O6 -","- C60 H52 F4 N4 O12 -","2","1","","Marshall, Ross J.; Kalinovskyy, Yaroslav; Griffin, Sarah L.; Wilson, Claire; Blight, Barry A.; Forgan, Ross S.","Functional Versatility of a Series of Zr Metal-Organic Frameworks Probed by Solid-State Photoluminescence Spectroscopy.","Journal of the American Chemical Society","2017","139","17","6253","6260","10.1021/jacs.7b02184","","x-ray","0.71075","MoKα","","0.075","0.0484","","","0.1137","0.1258","","","","","","1.018","","","","has coordinates","197241","2020-10-21","18:00:00",""
"4126094","17.248","0.012","4.784","0.003","12.021","0.008","90","","93.881","0.019","90","","989.6","1.1","100","2","100","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C26 H14 F4 O4 -","- C26 H14 F4 O4 -","- C52 H28 F8 O8 -","2","0.5","","Marshall, Ross J.; Kalinovskyy, Yaroslav; Griffin, Sarah L.; Wilson, Claire; Blight, Barry A.; Forgan, Ross S.","Functional Versatility of a Series of Zr Metal-Organic Frameworks Probed by Solid-State Photoluminescence Spectroscopy.","Journal of the American Chemical Society","2017","139","17","6253","6260","10.1021/jacs.7b02184","","x-ray","0.71073","MoKα","","0.1925","0.1301","","","0.3547","0.4055","","","","","","1.411","","","","has coordinates","197242","2020-10-21","18:00:00",""
"4126095","39.83167","0.00014","39.83167","0.00014","39.83167","0.00014","90","","90","","90","","63195.4","0.4","100","2","100","2","","","","","","","","5","F d -3 m","-F 4vw 2vw 3","227","","","","- C144 H64 F12 O32 Zr6 -","- C144 H60 F12 O32 Zr6 -","- C1152 H480 F96 O256 Zr48 -","8","","","Marshall, Ross J.; Kalinovskyy, Yaroslav; Griffin, Sarah L.; Wilson, Claire; Blight, Barry A.; Forgan, Ross S.","Functional Versatility of a Series of Zr Metal-Organic Frameworks Probed by Solid-State Photoluminescence Spectroscopy.","Journal of the American Chemical Society","2017","139","17","6253","6260","10.1021/jacs.7b02184","","x-ray","0.71073","MoKα","","0.076","0.0695","","","0.1871","0.1907","","","","","","1.145","","","","has coordinates,has disorder","197243","2020-10-21","18:00:00",""
"4126096","27.696","0.005","27.696","","72.829","0.013","90","","90","","120","","48380","12","100","2","100.45","","","","","","","","","5","R -3 c","-R 3 2""c","167","","","","- C51 H34 Fe3 N6 O13 -","- C51 H34 Fe3 N6 O13 -","- C918 H612 Fe54 N108 O234 -","18","","","Zhang, Feng-Ming; Dong, Long-Zhang; Qin, Jun-Sheng; Guan, Wei; Liu, Jiang; Li, Shun-Li; Lu, Meng; Lan, Ya-Qian; Su, Zhong-Min; Zhou, Hong-Cai","Effect of Imidazole Arrangements on Proton-Conductivity in Metal-Organic Frameworks.","Journal of the American Chemical Society","2017","139","17","6183","6189","10.1021/jacs.7b01559","","x-ray","0.71073","MoKα","","0.121","0.0991","","","0.2242","0.2382","","","","","","1.125","","","","has coordinates,has disorder","197244","2020-10-21","18:00:00",""
"4126097","6.3437","0.0004","16.5128","0.0014","9.2201","0.0007","90","","109.431","0.004","90","","910.82","0.12","100","2","100","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C23 H18 Br N O -","- C23 H18 Br N O -","- C46 H36 Br2 N2 O2 -","2","1","","Panda, Santanu; Ready, Joseph M.","Palladium Catalyzed Asymmetric Three-Component Coupling of Boronic Esters, Indoles, and Allylic Acetates.","Journal of the American Chemical Society","2017","139","17","6038","6041","10.1021/jacs.7b01410","","","0.71073","MoKα","","0.0212","0.0205","","","0.0535","0.0538","","","","","","1.044","","","","has coordinates","197245","2020-10-21","18:00:00",""
"4126098","19.8748","0.0019","9.4591","0.0009","20.538","0.002","90","","108.334","0.003","90","","3665.1","0.6","100","2","100","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C21 H19 Br2 N -","- C21 H19 Br2 N -","- C168 H152 Br16 N8 -","8","4","","Panda, Santanu; Ready, Joseph M.","Palladium Catalyzed Asymmetric Three-Component Coupling of Boronic Esters, Indoles, and Allylic Acetates.","Journal of the American Chemical Society","2017","139","17","6038","6041","10.1021/jacs.7b01410","","","0.71073","MoKα","","0.0455","0.0349","","","0.0702","0.0752","","","","","","1.032","","","","has coordinates,has disorder","197246","2020-10-21","18:00:00",""
"4126099","9.5214","0.0014","10.1954","0.0018","12.8363","0.0017","100.977","0.004","110.01","0.014","90.035","0.006","1146.5","0.3","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","","","- C27 H34 B N O2 -","- C27 H34 B N O2 -","- C54 H68 B2 N2 O4 -","2","1","","Panda, Santanu; Ready, Joseph M.","Palladium Catalyzed Asymmetric Three-Component Coupling of Boronic Esters, Indoles, and Allylic Acetates.","Journal of the American Chemical Society","2017","139","17","6038","6041","10.1021/jacs.7b01410","","","0.71073","MoKα","","0.0405","0.0374","","","0.098","0.1008","","","","","","1.027","","","","has coordinates","197247","2020-10-21","18:00:00",""
"4126100","7.85","0.002","6.0119","0.0016","7.995","0.002","90","","112.37","0.004","90","","348.92","0.16","100","2","100","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C8 H8 B N -","- C8 H8 B N -","- C16 H16 B2 N2 -","2","0.5","","Liu, Zhiqiang; Ishibashi, Jacob S. A.; Darrigan, Clovis; Dargelos, Alain; Chrostowska, Anna; Li, Bo; Vasiliu, Monica; Dixon, David A.; Liu, Shih-Yuan","The Least Stable Isomer of BN Naphthalene: Toward Predictive Trends for the Optoelectronic Properties of BN Acenes.","Journal of the American Chemical Society","2017","139","17","6082","6085","10.1021/jacs.7b02661","","","0.71073","MoKα","","0.0395","0.038","","","0.1058","0.1079","","","","","","1.062","","","","has coordinates","197249","2020-10-21","18:00:00",""
"4126101","7.465","0.003","14.687","0.006","6.709","0.003","90","","103.79","0.007","90","","714.4","0.5","100","2","100","2","","","","","","","","5","P 1 c 1","P -2yc","7","","","","- C8 H7 B F N -","- C8 H7 B F N -","- C32 H28 B4 F4 N4 -","4","2","","Liu, Zhiqiang; Ishibashi, Jacob S. A.; Darrigan, Clovis; Dargelos, Alain; Chrostowska, Anna; Li, Bo; Vasiliu, Monica; Dixon, David A.; Liu, Shih-Yuan","The Least Stable Isomer of BN Naphthalene: Toward Predictive Trends for the Optoelectronic Properties of BN Acenes.","Journal of the American Chemical Society","2017","139","17","6082","6085","10.1021/jacs.7b02661","","","0.71073","MoKα","","0.0468","0.0403","","","0.1094","0.1176","","","","","","1.066","","","","has coordinates","197250","2020-10-21","18:00:00",""
"4126102","13.09343","0.00011","10.40312","0.00009","19.9446","0.00016","90","","93.8233","0.0008","90","","2710.66","0.04","85","2","85","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C28 H30 F8 N2 Ni O3 -","- C28 H30 F8 N2 Ni O3 -","- C112 H120 F32 N8 Ni4 O12 -","4","1","","Chong, Eugene; Kampf, Jeff W.; Ariafard, Alireza; Canty, Allan J.; Sanford, Melanie S.","Oxidatively Induced C-H Activation at High Valent Nickel.","Journal of the American Chemical Society","2017","139","17","6058","6061","10.1021/jacs.7b02387","","","1.54184","CuKα","","0.0384","0.0363","","","0.0963","0.0987","","","","","","1.033","","","","has coordinates,has disorder","197251","2020-10-21","18:00:00",""
"4126103","15.88344","0.00009","12.97082","0.00011","8.60488","0.00005","90","","90","","90","","1772.79","0.02","85","2","85","2","","","","","","","","5","P n m a","-P 2ac 2n","62","","","","- C19 H11 F9 N2 Ni -","- C19 H11 F9 N2 Ni -","- C76 H44 F36 N8 Ni4 -","4","0.5","","Chong, Eugene; Kampf, Jeff W.; Ariafard, Alireza; Canty, Allan J.; Sanford, Melanie S.","Oxidatively Induced C-H Activation at High Valent Nickel.","Journal of the American Chemical Society","2017","139","17","6058","6061","10.1021/jacs.7b02387","","","1.54184","CuKα","","0.0284","0.0283","","","0.0789","0.079","","","","","","1.079","","","","has coordinates,has disorder","197252","2020-10-21","18:00:00",""
"4126104","10.161","0.002","11.489","0.002","30.374","0.006","90","","90","","90","","3545.9","1.2","180","2","180","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C31 H50 O7 Si2 -","- C31 H50 O7 Si2 -","- C124 H200 O28 Si8 -","4","1","","Chen, Dezhi; Evans, P. Andrew","A Concise, Efficient and Scalable Total Synthesis of Thapsigargin and Nortrilobolide from (R)-(-)-Carvone.","Journal of the American Chemical Society","2017","139","17","6046","6049","10.1021/jacs.7b01734","","","0.71073","MoKα","","0.054","0.041","","","0.098","0.1056","","","","","","1.03","","","","has coordinates,has disorder","197253","2020-10-21","18:00:00",""
"4126105","22.2432","0.0016","5.1818","0.0004","7.3296","0.0005","90","","100.94","0.002","90","","829.46","0.1","93","2","93","2","","","","","","","","6","C 1 2 1","C 2y","5","","","","- C8 H24 Br3 N4 O4 Pd -","- C8 H24 Br3 N4 O4 Pd -","- C16 H48 Br6 N8 O8 Pd2 -","2","0.5","","Mian, Mohammad Rasel; Iguchi, Hiroaki; Takaishi, Shinya; Murasugi, Hideaki; Miyamoto, Tatsuya; Okamoto, Hiroshi; Tanaka, Hisaaki; Kuroda, Shin-Ichi; Breedlove, Brian K.; Yamashita, Masahiro","Multiple-Hydrogen-Bond Approach to Uncommon Pd(III) Oxidation State: A Pd-Br Chain with High Conductivity and Thermal Stability.","Journal of the American Chemical Society","2017","139","19","6562","6565","10.1021/jacs.7b02558","","","0.71073","MoKα","","0.0531","0.0367","","","0.0666","0.0716","","","","","","1.024","","","","has coordinates","197254","2020-10-21","18:00:00",""
"4126106","22.2521","0.0016","5.1837","0.0004","7.3301","0.0005","90","","101.04","0.002","90","","829.87","0.1","123","2","123","2","","","","","","","","6","C 1 2 1","C 2y","5","","","","- C8 H24 Br3 N4 O4 Pd -","- C8 H24 Br3 N4 O4 Pd -","- C16 H48 Br6 N8 O8 Pd2 -","2","0.5","","Mian, Mohammad Rasel; Iguchi, Hiroaki; Takaishi, Shinya; Murasugi, Hideaki; Miyamoto, Tatsuya; Okamoto, Hiroshi; Tanaka, Hisaaki; Kuroda, Shin-Ichi; Breedlove, Brian K.; Yamashita, Masahiro","Multiple-Hydrogen-Bond Approach to Uncommon Pd(III) Oxidation State: A Pd-Br Chain with High Conductivity and Thermal Stability.","Journal of the American Chemical Society","2017","139","19","6562","6565","10.1021/jacs.7b02558","","","0.71073","MoKα","","0.0671","0.0426","","","0.0702","0.0774","","","","","","1.027","","","","has coordinates","197254","2020-10-21","18:00:00",""
"4126107","22.251","0.0016","5.1888","0.0004","7.3397","0.0005","90","","100.933","0.002","90","","832.03","0.1","153","2","153","2","","","","","","","","6","C 1 2 1","C 2y","5","","","","- C8 H24 Br3 N4 O4 Pd -","- C8 H24 Br3 N4 O4 Pd -","- C16 H48 Br6 N8 O8 Pd2 -","2","0.5","","Mian, Mohammad Rasel; Iguchi, Hiroaki; Takaishi, Shinya; Murasugi, Hideaki; Miyamoto, Tatsuya; Okamoto, Hiroshi; Tanaka, Hisaaki; Kuroda, Shin-Ichi; Breedlove, Brian K.; Yamashita, Masahiro","Multiple-Hydrogen-Bond Approach to Uncommon Pd(III) Oxidation State: A Pd-Br Chain with High Conductivity and Thermal Stability.","Journal of the American Chemical Society","2017","139","19","6562","6565","10.1021/jacs.7b02558","","","0.71073","MoKα","","0.0646","0.0407","","","0.067","0.0733","","","","","","1.008","","","","has coordinates","197254","2020-10-21","18:00:00",""
"4126108","22.2551","0.0016","5.1918","0.0004","7.3461","0.0005","90","","100.931","0.002","90","","833.4","0.1","173","2","173","2","","","","","","","","6","C 1 2 1","C 2y","5","","","","- C8 H24 Br3 N4 O4 Pd -","- C8 H24 Br3 N4 O4 Pd -","- C16 H48 Br6 N8 O8 Pd2 -","2","0.5","","Mian, Mohammad Rasel; Iguchi, Hiroaki; Takaishi, Shinya; Murasugi, Hideaki; Miyamoto, Tatsuya; Okamoto, Hiroshi; Tanaka, Hisaaki; Kuroda, Shin-Ichi; Breedlove, Brian K.; Yamashita, Masahiro","Multiple-Hydrogen-Bond Approach to Uncommon Pd(III) Oxidation State: A Pd-Br Chain with High Conductivity and Thermal Stability.","Journal of the American Chemical Society","2017","139","19","6562","6565","10.1021/jacs.7b02558","","","0.71073","MoKα","","0.0695","0.0432","","","0.0694","0.0762","","","","","","1.03","","","","has coordinates","197254","2020-10-21","18:00:00",""
"4126109","22.2721","0.0015","5.1991","0.0003","7.3568","0.0005","90","","100.904","0.002","90","","836.5","0.09","223","2","223","2","","","","","","","","6","C 1 2 1","C 2y","5","","","","- C8 H24 Br3 N4 O4 Pd -","- C8 H24 Br3 N4 O4 Pd -","- C16 H48 Br6 N8 O8 Pd2 -","2","0.5","","Mian, Mohammad Rasel; Iguchi, Hiroaki; Takaishi, Shinya; Murasugi, Hideaki; Miyamoto, Tatsuya; Okamoto, Hiroshi; Tanaka, Hisaaki; Kuroda, Shin-Ichi; Breedlove, Brian K.; Yamashita, Masahiro","Multiple-Hydrogen-Bond Approach to Uncommon Pd(III) Oxidation State: A Pd-Br Chain with High Conductivity and Thermal Stability.","Journal of the American Chemical Society","2017","139","19","6562","6565","10.1021/jacs.7b02558","","","0.71073","MoKα","","0.068","0.04","","","0.0642","0.0706","","","","","","1.023","","","","has coordinates","197254","2020-10-21","18:00:00",""
"4126110","22.2938","0.0015","5.2044","0.0004","7.3649","0.0005","90","","100.915","0.002","90","","839.06","0.1","273","2","273","2","","","","","","","","6","C 1 2 1","C 2y","5","","","","- C8 H24 Br3 N4 O4 Pd -","- C8 H24 Br3 N4 O4 Pd -","- C16 H48 Br6 N8 O8 Pd2 -","2","0.5","","Mian, Mohammad Rasel; Iguchi, Hiroaki; Takaishi, Shinya; Murasugi, Hideaki; Miyamoto, Tatsuya; Okamoto, Hiroshi; Tanaka, Hisaaki; Kuroda, Shin-Ichi; Breedlove, Brian K.; Yamashita, Masahiro","Multiple-Hydrogen-Bond Approach to Uncommon Pd(III) Oxidation State: A Pd-Br Chain with High Conductivity and Thermal Stability.","Journal of the American Chemical Society","2017","139","19","6562","6565","10.1021/jacs.7b02558","","","0.71073","MoKα","","0.0566","0.0364","","","0.063","0.0682","","","","","","1.03","","","","has coordinates","197254","2020-10-21","18:00:00",""
"4126111","22.3078","0.0018","5.2074","0.0004","7.367","0.0006","90","","100.931","0.003","90","","840.26","0.12","323","2","323","2","","","","","","","","6","C 1 2 1","C 2y","5","","","","- C8 H24 Br3 N4 O4 Pd -","- C8 H24 Br3 N4 O4 Pd -","- C16 H48 Br6 N8 O8 Pd2 -","2","0.5","","Mian, Mohammad Rasel; Iguchi, Hiroaki; Takaishi, Shinya; Murasugi, Hideaki; Miyamoto, Tatsuya; Okamoto, Hiroshi; Tanaka, Hisaaki; Kuroda, Shin-Ichi; Breedlove, Brian K.; Yamashita, Masahiro","Multiple-Hydrogen-Bond Approach to Uncommon Pd(III) Oxidation State: A Pd-Br Chain with High Conductivity and Thermal Stability.","Journal of the American Chemical Society","2017","139","19","6562","6565","10.1021/jacs.7b02558","","","0.71073","MoKα","","0.0631","0.039","","","0.0707","0.078","","","","","","1.027","","","","has coordinates","197254","2020-10-21","18:00:00",""
"4126112","22.351","0.002","5.2166","0.0004","7.3765","0.0006","90","","101.008","0.003","90","","844.25","0.12","363","2","363","2","","","","","","","","6","C 1 2 1","C 2y","5","","","","- C8 H24 Br3 N4 O4 Pd -","- C8 H24 Br3 N4 O4 Pd -","- C16 H48 Br6 N8 O8 Pd2 -","2","0.5","","Mian, Mohammad Rasel; Iguchi, Hiroaki; Takaishi, Shinya; Murasugi, Hideaki; Miyamoto, Tatsuya; Okamoto, Hiroshi; Tanaka, Hisaaki; Kuroda, Shin-Ichi; Breedlove, Brian K.; Yamashita, Masahiro","Multiple-Hydrogen-Bond Approach to Uncommon Pd(III) Oxidation State: A Pd-Br Chain with High Conductivity and Thermal Stability.","Journal of the American Chemical Society","2017","139","19","6562","6565","10.1021/jacs.7b02558","","","0.71073","MoKα","","0.0762","0.0435","","","0.082","0.0916","","","","","","1.043","","","","has coordinates","197254","2020-10-21","18:00:00",""
"4126113","9.8055","0.001","13.4551","0.0013","15.5005","0.0015","67.404","0.002","88.581","0.002","83.35","0.002","1874.9","0.3","100","2","100","2","","","","","","","","6","P -1","-P 1","2","","","","- C37 H23 Cl9 D3 N O4 -","- C37 H23 Cl9 D3 N O4 -","- C74 H46 Cl18 D6 N2 O8 -","2","1","","Maier, Josef M.; Li, Ping; Vik, Erik C.; Yehl, Christopher J.; Strickland, Sharon M. S.; Shimizu, Ken D.","Measurement of Solvent OH-π Interactions Using a Molecular Balance.","Journal of the American Chemical Society","2017","139","19","6550","6553","10.1021/jacs.7b02349","","","0.71073","MoKα","","0.0649","0.0551","","","0.1463","0.1527","","","","","","1.04","","","","has coordinates","197255","2020-10-21","18:00:00",""
"4126114","6.9466","0.0005","7.5493","0.0005","13.1221","0.0009","97.113","0.002","100.141","0.002","104.254","0.002","646.39","0.08","200","","200","","","","","","","","","4","P 1","P 1","1","","","","- C32 H24 N4 O8 -","- C32 H24 N4 O8 -","- C32 H24 N4 O8 -","1","1","","Kim, Dong Jun; Hermann, Keith R.; Prokofjevs, Aleksandrs; Otley, Michael T.; Pezzato, Cristian; Owczarek, Magdalena; Stoddart, J. Fraser","Redox-Active Macrocycles for Organic Rechargeable Batteries.","Journal of the American Chemical Society","2017","139","19","6635","6643","10.1021/jacs.7b01209","","","1.54178","CuKα","","0.0244","0.0242","","","0.0674","0.0676","","","","","","1.06","","","","has coordinates","197256","2020-10-21","18:00:00",""
"4126115","27.492","0.003","5.2268","0.0007","27.504","0.005","90","","112.44","0.008","90","","3652.9","0.9","100","2","99.99","","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C22 H24 N2 O4 -","- C22 H24 N2 O4 -","- C176 H192 N16 O32 -","8","2","","Kim, Dong Jun; Hermann, Keith R.; Prokofjevs, Aleksandrs; Otley, Michael T.; Pezzato, Cristian; Owczarek, Magdalena; Stoddart, J. Fraser","Redox-Active Macrocycles for Organic Rechargeable Batteries.","Journal of the American Chemical Society","2017","139","19","6635","6643","10.1021/jacs.7b01209","","","1.54178","CuKα","","0.1826","0.1487","","","0.3346","0.3623","","","","","","1.277","","","","has coordinates","197257","2020-10-21","18:00:00",""
"4126116","13.2953","0.0003","15.9523","0.0004","16.985","0.0004","90","","104.356","0.001","90","","3489.87","0.14","100","2","100","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C39 H57 Pb -","- C39 H57 Pb -","- C156 H228 Pb4 -","4","1","","Schneider, Julia; Sindlinger, Christian P.; Eichele, Klaus; Schubert, Hartmut; Wesemann, Lars","Low-Valent Lead Hydride and Its Extreme Low-Field (1)H NMR Chemical Shift.","Journal of the American Chemical Society","2017","139","19","6542","6545","10.1021/jacs.7b01856","","","0.71073","MoKα","","0.0444","0.0282","","","0.0572","0.0616","","","","","","1.018","","","","has coordinates","197258","2020-10-21","18:00:00",""
"4126117","16.9857","0.0007","5.9677","0.0003","17.1136","0.0007","90","","112.883","0.001","90","","1598.21","0.12","123","","123","","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C21 H14 Au N -","- C21 H14 Au N -","- C84 H56 Au4 N4 -","4","1","","Seki, Tomohiro; Tokodai, Noriaki; Omagari, Shun; Nakanishi, Takayuki; Hasegawa, Yasuchika; Iwasa, Takeshi; Taketsugu, Tetsuya; Ito, Hajime","Luminescent Mechanochromic 9-Anthryl Gold(I) Isocyanide Complex with an Emission Maximum at 900 nm after Mechanical Stimulation.","Journal of the American Chemical Society","2017","139","19","6514","6517","10.1021/jacs.7b00587","","","0.71075","MoKα","","0.0401","0.0376","","","0.0965","0.0981","","","","","","1.146","","","","has coordinates","197259","2020-10-21","18:00:00",""
"4126118","10.7971","0.0012","11.4825","0.0013","12.3601","0.0014","89.49","0.002","65.116","0.002","71.217","0.002","1301.7","0.3","213.5","","213.15","","","","","","","","","6","P -1","-P 1","2","","","","- C27 H34 B N4 O2 P -","- C27 H34 B N4 O2 P -","- C54 H68 B2 N8 O4 P2 -","2","1","","Lin, Yi-Chun; Hatzakis, Emmanuel; McCarthy, Sean M.; Reichl, Kyle D.; Lai, Ting-Yi; Yennawar, Hemant P.; Radosevich, Alexander T.","P-N Cooperative Borane Activation and Catalytic Hydroboration by a Distorted Phosphorous Triamide Platform.","Journal of the American Chemical Society","2017","139","16","6008","6016","10.1021/jacs.7b02512","","","0.71073","MoKα","","0.0659","0.0589","","","0.1701","0.1746","","","","","","1.267","","","","has coordinates","197260","2020-10-21","18:00:00",""
"4126119","18.021","0.0018","10.4127","0.0015","50.4404","0.0019","90","","90.378","0.003","90","","9464.8","1.7","100","2","100","2","","","","","","","","4","I 1 2/a 1","-I 2ya","15","CF050","","","- C26 H35 B O2 -","- C26 H35 B O2 -","- C416 H560 B16 O32 -","16","2","","Lik, Artur; Fritze, Lars; Müller, Lars; Helten, Holger","Catalytic B-C Coupling by Si/B Exchange: A Versatile Route to π-Conjugated Organoborane Molecules, Oligomers, and Polymers.","Journal of the American Chemical Society","2017","139","16","5692","5695","10.1021/jacs.7b01835","","","0.71073","MoKα","","0.152","0.0847","","","0.2258","0.2597","","","","","","1.06","","","","has coordinates,has disorder","197261","2020-10-21","18:00:00",""
"4126120","8.987","0.002","10.2","0.003","27.625","0.007","90","","93.447","0.004","90","","2527.7","1.1","100.15","","100.15","","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","","","- C30 H39 B -","- C30 H39 B -","- C120 H156 B4 -","4","1","","Lik, Artur; Fritze, Lars; Müller, Lars; Helten, Holger","Catalytic B-C Coupling by Si/B Exchange: A Versatile Route to π-Conjugated Organoborane Molecules, Oligomers, and Polymers.","Journal of the American Chemical Society","2017","139","16","5692","5695","10.1021/jacs.7b01835","","x-ray","0.71073","MoKα","","0.078","0.0533","","","0.1503","0.1608","","","","","","0.984","","","","has coordinates","197261","2020-10-21","18:00:00",""
"4126121","26.2225","0.0007","14.9508","0.0005","29.2628","0.0008","90","","99.579","0.002","90","","11312.4","0.6","296","2","296","2","","","","","","","","5","P 1 2/c 1","-P 2yc","13","","","","- C60 H135 Ag Au20 S15 -","- C60 H135 Ag Au20 S15 -","- C240 H540 Ag4 Au80 S60 -","4","1","","Yang, Sha; Chai, Jinsong; Song, Yongbo; Fan, Jiqiang; Chen, Tao; Wang, Shuxin; Yu, Haizhu; Li, Xiaowu; Zhu, Manzhou","In Situ Two-Phase Ligand Exchange: A New Method for the Synthesis of Alloy Nanoclusters with Precise Atomic Structures.","Journal of the American Chemical Society","2017","139","16","5668","5671","10.1021/jacs.7b00668","","","1.54178","CuKα","","0.1157","0.0831","","","0.2223","0.2486","","","","","","1.041","","","","has coordinates","197262","2020-10-21","18:00:00",""
"4126122","26.1635","0.0017","15.0108","0.001","29.0512","0.0019","90","","99.1239","0.0009","90","","11265.1","1.3","296","2","296.15","","","","","","","","","5","P 1 2/c 1","-P 2yc","13","","","","- C60 H135 Ag5.2 Au15.81 S15 -","- C60 H135 Ag4.93 Au16.07 S15 -","- C240 H540 Ag19.72 Au64.28 S60 -","4","1","","Yang, Sha; Chai, Jinsong; Song, Yongbo; Fan, Jiqiang; Chen, Tao; Wang, Shuxin; Yu, Haizhu; Li, Xiaowu; Zhu, Manzhou","In Situ Two-Phase Ligand Exchange: A New Method for the Synthesis of Alloy Nanoclusters with Precise Atomic Structures.","Journal of the American Chemical Society","2017","139","16","5668","5671","10.1021/jacs.7b00668","","","0.71073","MoKα","","0.1415","0.0601","","","0.1267","0.156","","","","","","1.006","","","","has coordinates,has disorder","197263","2020-10-21","18:00:00",""
"4126123","17.4243","0.0012","9.9387","0.0007","11.9804","0.0008","90","","90.039","0.002","90","","2074.7","0.2","93","2","93","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C22 H25 N3 O6 -","- C22 H25 N3 O6 -","- C88 H100 N12 O24 -","4","1","","Ma, Xiaoshen; Dang, Hester; Rose, John A.; Rablen, Paul; Herzon, Seth B.","Hydroheteroarylation of Unactivated Alkenes Using N-Methoxyheteroarenium Salts.","Journal of the American Chemical Society","2017","139","16","5998","6007","10.1021/jacs.7b02388","","","0.71073","MoKα","","0.0405","0.0303","","","0.0818","0.0843","","","","","","1.033","","","","has coordinates","197264","2020-10-21","18:00:00",""
"4126124","29.723","0.002","5.8059","0.0004","38.396","0.003","90","","110.525","0.002","90","","6205.3","0.8","93","2","93","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C22 H25 N3 O6 -","- C22 H25 N3 O6 -","- C264 H300 N36 O72 -","12","3","","Ma, Xiaoshen; Dang, Hester; Rose, John A.; Rablen, Paul; Herzon, Seth B.","Hydroheteroarylation of Unactivated Alkenes Using N-Methoxyheteroarenium Salts.","Journal of the American Chemical Society","2017","139","16","5998","6007","10.1021/jacs.7b02388","","","1.54178","CuKα","","0.0658","0.042","","","0.0897","0.1013","","","","","","1.041","","","","has coordinates","197265","2020-10-21","18:00:00",""
"4126125","20.0813","0.0006","7.5198","0.0002","12.1237","0.0003","90","","91.565","0.001","90","","1830.09","0.09","100","2","100","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C10 H11 N O3 -","- C10 H11 N O3 -","- C80 H88 N8 O24 -","8","2","","Schäfer, Mathias; Peckelsen, Katrin; Paul, Mathias; Martens, Jonathan; Oomens, Jos; Berden, Giel; Berkessel, Albrecht; Meijer, Anthony J. H. M.","Hydrogen Tunneling above Room Temperature Evidenced by Infrared Ion Spectroscopy.","Journal of the American Chemical Society","2017","139","16","5779","5786","10.1021/jacs.6b10348","","","1.54178","CuKα","","0.0388","0.0354","","","0.0949","0.1038","","","","","","1.148","","","","has coordinates","197266","2020-10-21","18:00:00",""
"4126126","27.051","0.015","16.451","0.009","10.734","0.006","90","","90","","90","","4777","5","110","2","110.15","","","","","","","","","10","P n m a","-P 2ac 2n","62","","","","- C45 H39 Cl F6 N O6 P2 Pt S2 Sb -","- C45 H39 Cl F6 N O6 P2 Pt S2 Sb -","- C180 H156 Cl4 F24 N4 O24 P8 Pt4 S8 Sb4 -","4","0.5","","You, Di; Gabbaï, François P","Unmasking the Catalytic Activity of a Platinum Complex with a Lewis Acidic, Non-innocent Antimony Ligand.","Journal of the American Chemical Society","2017","139","20","6843","6846","10.1021/jacs.7b03287","","","0.71073","MoKα","","0.0459","0.0389","","","0.0899","0.0938","","","","","","1.103","","","","has coordinates,has disorder","197267","2020-10-21","18:00:00",""
"4126127","8.9044","0.0015","10.1505","0.0017","11.649","0.002","84.652","0.004","70.657","0.003","67.909","0.003","919.9","0.3","293","2","293","2","","","","","","","","6","P 1","P 1","1","","","","- C21 H20 F N O2 S -","- C21 H20 F N O2 S -","- C42 H40 F2 N2 O4 S2 -","2","2","","Wang, Dinghai; Wu, Lianqian; Wang, Fei; Wan, Xiaolong; Chen, Pinhong; Lin, Zhenyang; Liu, Guosheng","Asymmetric Copper-Catalyzed Intermolecular Aminoarylation of Styrenes: Efficient Access to Optical 2,2-Diarylethylamines.","Journal of the American Chemical Society","2017","139","20","6811","6814","10.1021/jacs.7b02455","","","0.71073","MoKα","","0.0648","0.0583","","","0.1534","0.1616","","","","","","1.046","","","","has coordinates","197268","2020-10-21","18:00:00",""
"4126128","42.669","0.007","21.909","0.003","24.6933","0.0006","90","","90","","90","","23084","5","77","","77","","","","","","","","","3","F m m 2","F 2 -2","42","","Hf-BTE-MOF-L","","- C68 Hf6 O29 -","- C68 Hf6 O29 -","- C544 Hf48 O232 -","8","0.5","","Cao, Lingyun; Lin, Zekai; Shi, Wenjie; Wang, Zi; Zhang, Cankun; Hu, Xuefu; Wang, Cheng; Lin, Wenbin","Exciton Migration and Amplified Quenching on Two-Dimensional Metal-Organic Layers.","Journal of the American Chemical Society","2017","139","20","7020","7029","10.1021/jacs.7b02470","","","0.41328","","","0.113","0.0937","","","0.2201","0.2407","","","","","","0.894","","","","has coordinates","197269","2020-10-21","18:00:00",""
"4126129","16.1139","0.0017","27.702","0.003","22.922","0.002","90","","90.854","0.002","90","","10231","1.8","100","0.5","100","0.5","","","","","","","","8","P 1 21/n 1","-P 2yn","14","neijk47","","","- C99.62 H162.25 Br Fe Mg O0.38 P2 Si3 -","- C99.623 H162.246 Br Fe Mg O0.377 P2 Si3 -","- C398.492 H648.984 Br4 Fe4 Mg4 O1.508 P8 Si12 -","4","1","","Kneebone, Jared L.; Brennessel, William W.; Neidig, Michael L.","Intermediates and Reactivity in Iron-Catalyzed Cross-Couplings of Alkynyl Grignards with Alkyl Halides.","Journal of the American Chemical Society","2017","139","20","6988","7003","10.1021/jacs.7b02363","","","0.71073","MoKα","","0.081","0.0463","","","0.0922","0.1061","","","","","","1.007","","","","has coordinates,has disorder","197270","2020-10-21","18:00:00",""
"4126130","13.9106","0.0009","25.8957","0.0017","26.9693","0.0018","90","","95.6239","0.0015","90","","9668.2","1.1","100","0.5","100","0.5","","","","","","","","8","P 1 21/n 1","-P 2yn","14","neijk48","","","- C95 H151 Br Fe Mg N2 P2 Si3 -","- C95 H151 Br Fe Mg N2 P2 Si3 -","- C380 H604 Br4 Fe4 Mg4 N8 P8 Si12 -","4","1","","Kneebone, Jared L.; Brennessel, William W.; Neidig, Michael L.","Intermediates and Reactivity in Iron-Catalyzed Cross-Couplings of Alkynyl Grignards with Alkyl Halides.","Journal of the American Chemical Society","2017","139","20","6988","7003","10.1021/jacs.7b02363","","","0.71073","MoKα","","0.0848","0.0597","","","0.1243","0.1355","","","","","","1.063","","","","has coordinates,has disorder","197270","2020-10-21","18:00:00",""
"4126131","12.944","0.003","13.667","0.003","29.998","0.007","84.342","0.005","87.967","0.005","63.56","0.005","4728.4","1.9","100","0.5","100","0.5","","","","","","","","7","P -1","-P 1","2","neijk63","","","- C90 H144 Br2 Fe Mg P2 Si2 -","- C90 H144 Br2 Fe Mg P2 Si2 -","- C180 H288 Br4 Fe2 Mg2 P4 Si4 -","2","1","","Kneebone, Jared L.; Brennessel, William W.; Neidig, Michael L.","Intermediates and Reactivity in Iron-Catalyzed Cross-Couplings of Alkynyl Grignards with Alkyl Halides.","Journal of the American Chemical Society","2017","139","20","6988","7003","10.1021/jacs.7b02363","","","0.71073","MoKα","","0.1211","0.0605","","","0.123","0.1447","","","","","","1.009","","","","has coordinates,has disorder","197270","2020-10-21","18:00:00",""
"4126132","14.4563","0.0017","30.137","0.004","18.788","0.002","90","","110.4","0.002","90","","7672","1.6","100","0.5","100","0.5","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","neijk64","","","- C77 H120 Br Fe O P2 Si -","- C77 H120 Br Fe O P2 Si -","- C308 H480 Br4 Fe4 O4 P8 Si4 -","4","1","","Kneebone, Jared L.; Brennessel, William W.; Neidig, Michael L.","Intermediates and Reactivity in Iron-Catalyzed Cross-Couplings of Alkynyl Grignards with Alkyl Halides.","Journal of the American Chemical Society","2017","139","20","6988","7003","10.1021/jacs.7b02363","","","0.71073","MoKα","","0.09","0.0535","","","0.1146","0.132","","","","","","1.01","","","","has coordinates,has disorder","197270","2020-10-21","18:00:00",""
"4126133","16.36","0.0009","19.2117","0.001","27.0378","0.0014","90","","90.482","0.001","90","","8497.8","0.8","100","0.5","100","0.5","","","","","","","","6","P 1 21/n 1","-P 2yn","14","neijk75","","","- C84 H130 Br Fe P2 Si2 -","- C84 H130 Br Fe P2 Si2 -","- C336 H520 Br4 Fe4 P8 Si8 -","4","1","","Kneebone, Jared L.; Brennessel, William W.; Neidig, Michael L.","Intermediates and Reactivity in Iron-Catalyzed Cross-Couplings of Alkynyl Grignards with Alkyl Halides.","Journal of the American Chemical Society","2017","139","20","6988","7003","10.1021/jacs.7b02363","","","0.71073","MoKα","","0.0801","0.043","","","0.0876","0.1","","","","","","1.015","","","","has coordinates,has disorder","197270","2020-10-21","18:00:00",""
"4126134","14.174","0.003","17.662","0.003","22.244","0.004","75.415","0.003","86.088","0.003","70.328","0.003","5073.8","1.7","100","0.5","100","0.5","","","","","","","","7","P -1","-P 1","2","neijk78","","","- C82 H116 Br2 Fe Mg2 O2 P2 -","- C82 H116 Br2 Fe Mg2 O2 P2 -","- C164 H232 Br4 Fe2 Mg4 O4 P4 -","2","1","","Kneebone, Jared L.; Brennessel, William W.; Neidig, Michael L.","Intermediates and Reactivity in Iron-Catalyzed Cross-Couplings of Alkynyl Grignards with Alkyl Halides.","Journal of the American Chemical Society","2017","139","20","6988","7003","10.1021/jacs.7b02363","","","0.71073","MoKα","","0.1366","0.0644","","","0.1485","0.1746","","","","","","0.972","","","","has coordinates,has disorder","197270","2020-10-21","18:00:00",""
"4126135","14.0458","0.0009","20.6508","0.0013","14.499","0.0009","90","","93.587","0.004","90","","4197.3","0.5","100","2","100","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","MA_03_102","MA_03_102","","- C45 H65 Cu N2 O Si -","- C45 H65 Cu N2 O Si -","- C180 H260 Cu4 N8 O4 Si4 -","4","1","","Mailig, Melrose; Hazra, Avijit; Armstrong, Megan K.; Lalic, Gojko","Catalytic Anti-Markovnikov Hydroallylation of Terminal and Functionalized Internal Alkynes: Synthesis of Skipped Dienes and Trisubstituted Alkenes.","Journal of the American Chemical Society","2017","139","20","6969","6977","10.1021/jacs.7b02104","","","0.71073","MoKα","","0.0818","0.0409","","","0.0876","0.1034","","","","","","0.996","","","","has coordinates,has disorder","197271","2020-10-21","18:00:00",""
"4126136","12.477","0.0009","8.3561","0.0003","15.4163","0.0008","90","","106.701","0.007","90","","1539.49","0.16","293","2","293","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C16 H27 N O3 -","- C16 H27 N O3 -","- C64 H108 N4 O12 -","4","1","","Zhao, Xian-He; Zhang, Qing; Du, Ji-Yuan; Lu, Xin-Yun; Cao, Ye-Xing; Deng, Yu-Hua; Fan, Chun-An","Total Synthesis of (±)-Lycojaponicumin D and Lycodoline-Type Lycopodium Alkaloids.","Journal of the American Chemical Society","2017","139","20","7095","7103","10.1021/jacs.7b03280","","x-ray","0.71073","MoKα","","0.0821","0.0524","","","0.1105","0.1288","","","","","","1.055","","","","has coordinates","197272","2020-10-21","18:00:00",""
"4126137","18.5033","0.0009","10.5908","0.0005","68.072","0.002","90","","91.094","0.004","90","","13337.3","1","100","2","100.15","","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C77 H74.5 N8 O8.5 -","- C77 H70.5 N8 O8.5 -","- C616 H564 N64 O68 -","8","1","","Leigh, David A.; Marcos, Vanesa; Nalbantoglu, Tugrul; Vitorica-Yrezabal, Iñigo J; Yasar, F. Tuba; Zhu, Xiaokang","Pyridyl-Acyl Hydrazone Rotaxanes and Molecular Shuttles.","Journal of the American Chemical Society","2017","139","20","7104","7109","10.1021/jacs.7b03307","","x-ray","1.54184","CuKα","","0.1161","0.0921","","","0.2452","0.2641","","","","","","1.044","","","","has coordinates,has disorder","197273","2020-10-21","18:00:00",""
"4126138","12.916","0.003","7.5579","0.0017","25.872","0.005","90","","99.551","0.009","90","","2490.6","0.9","100","2","100","2","","","","","","","","5","P 1 c 1","P -2yc","7","","","","- C14 H12 N2 O3 S -","- C14 H12 N2 O3 S -","- C112 H96 N16 O24 S8 -","8","4","","Kornahrens, Anne F.; Cognetta, 3rd, Armand B; Brody, Daniel M.; Matthews, Megan L.; Cravatt, Benjamin F.; Boger, Dale L.","Design of Benzoxathiazin-3-one 1,1-Dioxides as a New Class of Irreversible Serine Hydrolase Inhibitors: Discovery of a Uniquely Selective PNPLA4 Inhibitor.","Journal of the American Chemical Society","2017","139","20","7052","7061","10.1021/jacs.7b02985","","","0.71073","MoKα","","0.123","0.0849","","","0.2013","0.2263","","","","","","1.116","","","","has coordinates","197274","2020-10-21","18:00:00",""
"4126139","7.3868","0.0002","11.9333","0.0004","15.7316","0.0004","90","","98.146","0.001","90","","1372.73","0.07","100","2","100.15","","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C15 H10 N2 O4 S -","- C15 H10 N2 O4 S -","- C60 H40 N8 O16 S4 -","4","1","","Kornahrens, Anne F.; Cognetta, 3rd, Armand B; Brody, Daniel M.; Matthews, Megan L.; Cravatt, Benjamin F.; Boger, Dale L.","Design of Benzoxathiazin-3-one 1,1-Dioxides as a New Class of Irreversible Serine Hydrolase Inhibitors: Discovery of a Uniquely Selective PNPLA4 Inhibitor.","Journal of the American Chemical Society","2017","139","20","7052","7061","10.1021/jacs.7b02985","","x-ray","0.71073","MoKα","","0.0323","0.0291","","","0.0759","0.0783","","","","","","1.059","","","","has coordinates","197275","2020-10-21","18:00:00",""
"4126140","6.3237","0.0014","13.019","0.003","15.609","0.004","90","","91.713","0.014","90","","1284.5","0.5","100","2","100","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C14 H12 N2 O3 S -","- C14 H12 N2 O3 S -","- C56 H48 N8 O12 S4 -","4","1","","Kornahrens, Anne F.; Cognetta, 3rd, Armand B; Brody, Daniel M.; Matthews, Megan L.; Cravatt, Benjamin F.; Boger, Dale L.","Design of Benzoxathiazin-3-one 1,1-Dioxides as a New Class of Irreversible Serine Hydrolase Inhibitors: Discovery of a Uniquely Selective PNPLA4 Inhibitor.","Journal of the American Chemical Society","2017","139","20","7052","7061","10.1021/jacs.7b02985","","","0.71073","MoKα","","0.099","0.0503","","","0.1032","0.1209","","","","","","0.986","","","","has coordinates","197276","2020-10-21","18:00:00",""
"4126141","13.2883","0.0012","13.0485","0.0016","26.3951","0.0012","90","","92.308","0.007","90","","4573","0.7","100","2","100.15","","","","","","","","dichloromethane","8","P 1 21/n 1","-P 2yn","14","","Title","","- C62 H80 Cl14 F24 N8 P4 Rh2 Sb4 -","- C62 H80 Cl14 F24 N8 P4 Rh2 Sb4 -","- C124 H160 Cl28 F48 N16 P8 Rh4 Sb8 -","2","0.5","","Gu, Lianghu; Wolf, Lawrence M.; Zieliński, Adam; Thiel, Walter; Alcarazo, Manuel","α-Dicationic Chelating Phosphines: Synthesis and Application to the Hydroarylation of Dienes.","Journal of the American Chemical Society","2017","139","13","4948","4953","10.1021/jacs.7b01441","","","0.71073","MoKα","","0.0672","0.0593","","","0.1638","0.1762","","","","","","1.054","","","","has coordinates,has disorder","197277","2020-10-21","18:00:00",""
"4126142","27.455","0.002","8.9353","0.0007","19.0572","0.0014","90","","125.169","0.002","90","","3821.7","0.5","100","2","100","","","","","","","","Methanol_Diethylether","2","C 1 2/c 1","-C 2yc","15","","ddd","","- C28 H22 -","- C28 H22 -","- C224 H176 -","8","1","","Gu, Lianghu; Wolf, Lawrence M.; Zieliński, Adam; Thiel, Walter; Alcarazo, Manuel","α-Dicationic Chelating Phosphines: Synthesis and Application to the Hydroarylation of Dienes.","Journal of the American Chemical Society","2017","139","13","4948","4953","10.1021/jacs.7b01441","","","1.54178","Cu-Kα","","0.0383","0.0371","","","0.0975","0.0986","","","","","","1.034","","","","has coordinates","197278","2020-10-21","18:00:00",""
"4126143","19.5245","0.0008","12.172","0.0011","17.6079","0.001","90","","102.298","0.004","90","","4088.5","0.5","100","2","100.15","","","","","","","","acetonitrile","7","P 1 21/c 1","-P 2ybc","14","","Title","","- C37 H44 B2 Cl2 F8 N4 P2 -","- C37 H44 B2 Cl2 F8 N4 P2 -","- C148 H176 B8 Cl8 F32 N16 P8 -","4","1","","Gu, Lianghu; Wolf, Lawrence M.; Zieliński, Adam; Thiel, Walter; Alcarazo, Manuel","α-Dicationic Chelating Phosphines: Synthesis and Application to the Hydroarylation of Dienes.","Journal of the American Chemical Society","2017","139","13","4948","4953","10.1021/jacs.7b01441","","","0.71073","MoKα","","0.042","0.0342","","","0.0892","0.0949","","","","","","1.052","","","","has coordinates","197279","2020-10-21","18:00:00",""
"4126144","17.976","0.006","14.1503","0.0012","17.202","0.005","90","","100.4","0.03","90","","4304","2","100","","100","","","","","","","","acetone,DCM","9","P 1 21/c 1","-P 2ybc","14","","Title","","- C29 H36 Cl2 F12 I2 N4 P2 Pt Sb2 -","- C29 H36 Cl2 F12 I2 N4 P2 Pt Sb2 -","- C116 H144 Cl8 F48 I8 N16 P8 Pt4 Sb8 -","4","1","","Gu, Lianghu; Wolf, Lawrence M.; Zieliński, Adam; Thiel, Walter; Alcarazo, Manuel","α-Dicationic Chelating Phosphines: Synthesis and Application to the Hydroarylation of Dienes.","Journal of the American Chemical Society","2017","139","13","4948","4953","10.1021/jacs.7b01441","","","0.71073","MoKα","","0.042","0.0342","","","0.0832","0.0883","","","","","","1.051","","","","has coordinates","197280","2020-10-21","18:00:00",""
"4126145","14.408","0.003","15.791","0.004","24.221","0.003","90","","90","","90","","5510.7","1.9","103","2","103","2","","","","","","","","6","P c c n","-P 2ab 2ac","56","","","","- C54 H72 B2 Cl3 Cu3 N4 -","- C54 H72 B2 Cl3 Cu3 N4 -","- C216 H288 B8 Cl12 Cu12 N16 -","4","0.5","","Braunschweig, Holger; Dellermann, Theresa; Dewhurst, Rian D.; Hupp, Benjamin; Kramer, Thomas; Mattock, James D.; Mies, Jan; Phukan, Ashwini K.; Steffen, Andreas; Vargas, Alfredo","Strongly Phosphorescent Transition Metal π-Complexes of Boron-Boron Triple Bonds.","Journal of the American Chemical Society","2017","139","13","4887","4893","10.1021/jacs.7b00766","","","0.71073","MoKα","","0.0422","0.0316","","","0.0787","0.084","","","","","","1.028","","","","has coordinates","197281","2020-10-21","18:00:00",""
"4126146","21.5235","0.0009","12.3413","0.0005","25.5747","0.0011","90","","110.501","0.001","90","","6363.1","0.5","103","2","103","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C64 H90 B2 Cu2 N4 Si2 -","- C64 H90 B2 Cu2 N4 Si2 -","- C256 H360 B8 Cu8 N16 Si8 -","4","1","","Braunschweig, Holger; Dellermann, Theresa; Dewhurst, Rian D.; Hupp, Benjamin; Kramer, Thomas; Mattock, James D.; Mies, Jan; Phukan, Ashwini K.; Steffen, Andreas; Vargas, Alfredo","Strongly Phosphorescent Transition Metal π-Complexes of Boron-Boron Triple Bonds.","Journal of the American Chemical Society","2017","139","13","4887","4893","10.1021/jacs.7b00766","","","0.71073","MoKα","","0.0358","0.03","","","0.0772","0.0805","","","","","","1.026","","","","has coordinates","197281","2020-10-21","18:00:00",""
"4126147","14.58","0.007","16.059","0.009","24.981","0.013","90","","93.26","0.04","90","","5840","5","100","2","100","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C60 H78 B2 Cl2 Cu2 N4 -","- C60 H78 B2 Cl2 Cu2 N4 -","- C240 H312 B8 Cl8 Cu8 N16 -","4","1","","Braunschweig, Holger; Dellermann, Theresa; Dewhurst, Rian D.; Hupp, Benjamin; Kramer, Thomas; Mattock, James D.; Mies, Jan; Phukan, Ashwini K.; Steffen, Andreas; Vargas, Alfredo","Strongly Phosphorescent Transition Metal π-Complexes of Boron-Boron Triple Bonds.","Journal of the American Chemical Society","2017","139","13","4887","4893","10.1021/jacs.7b00766","","","0.71073","MoKα","","0.0816","0.0448","","","0.0987","0.1137","","","","","","1.025","","","","has coordinates","197281","2020-10-21","18:00:00",""
"4126148","33.1271","0.0007","33.1271","0.0007","10.8586","0.0003","90","","90","","120","","10319.8","0.4","100","2","100","2","","","","","","","","3","R 3 c :H","R 3 -2""c","161","","","","- C84 H87 N9 -","- C84 H87 N9 -","- C504 H522 N54 -","6","0.333333","","Ke, Xian-Sheng; Kim, Taeyeon; Brewster, 2nd, James T; Lynch, Vincent M.; Kim, Dongho; Sessler, Jonathan L.","Expanded Rosarin: A Versatile Fullerene (C60) Receptor.","Journal of the American Chemical Society","2017","139","13","4627","4630","10.1021/jacs.7b00735","","","1.54184","CuKα","","0.0417","0.0358","","","0.0849","0.0884","","","","","","1.032","","","","has coordinates","197282","2020-10-21","18:00:00",""
"4126149","19.2543","0.0004","20.7309","0.0004","29.5488","0.0006","85.803","0.001","82.661","0.001","74.247","0.001","11249.5","0.4","120","","120","","","","","","","","","7","P -1","-P 1","2","[LCo3(C6H16N2)3]_3TFPB_2H2O_1.5MeOH","","","- C217.5 H196 B3 Co3 F72 N12 O15.5 -","- C217.5 H196 B3 Co3 F72 N12 O15.5 -","- C435 H392 B6 Co6 F144 N24 O31 -","2","1","","Akine, Shigehisa; Miyashita, Masato; Nabeshima, Tatsuya","A Metallo-molecular Cage That Can Close the Apertures with Coordination Bonds.","Journal of the American Chemical Society","2017","139","13","4631","4634","10.1021/jacs.7b00840","","","0.71073","MoKα","","0.1469","0.0791","","","0.1801","0.2166","","","","","","1.093","","","","has coordinates,has disorder","197283","2020-10-21","18:00:00",""
"4126150","15.119","0.002","20.012","0.003","17.444","0.003","90","","96.09","0.004","90","","5248.1","1.4","173","2","173","2","","","","","","","","3","P 1 21/n 1","-P 2yn","14","La2c2@C2-C98 3CS2","La2c2@C2-C98 3CS2","","- C103 La2 S6 -","- C103 La1.9996 S6 -","- C412 La7.9984 S24 -","4","1","","Zhao, Shasha; Zhao, Pei; Cai, Wenting; Bao, Lipiao; Chen, Muqing; Xie, Yunpeng; Zhao, Xiang; Lu, Xing","Stabilization of Giant Fullerenes C2(41)-C90, D3(85)-C92, C1(132)-C94, C2(157)-C96, and C1(175)-C98 by Encapsulation of a Large La2C2 Cluster: The Importance of Cluster-Cage Matching.","Journal of the American Chemical Society","2017","139","13","4724","4728","10.1021/jacs.6b11970","","","0.71073","MoKα","","0.0909","0.0803","","","0.2152","0.2252","","","","","","1.04","","","","has coordinates","197284","2020-10-21","18:00:00",""
"4126151","17.2709","0.0008","19.3481","0.0006","22.494","0.001","85.767","0.005","80.923","0.007","84.766","0.009","7378","0.6","100","2","100","2","","","","","","","","4","P -1","-P 1","2","","","","- C84 Cl32.12 O1.07 V0.71 -","- C84 Cl32.1257 O1.0665 V0.7112 -","- C336 Cl128.503 O4.266 V2.8448 -","4","2","","Jin, Fei; Yang, Shangfeng; Kemnitz, Erhard; Troyanov, Sergey I.","Skeletal Transformation of a Classical Fullerene C88 into a Nonclassical Fullerene Chloride C84Cl30 Bearing Quaternary Sequentially Fused Pentagons.","Journal of the American Chemical Society","2017","139","13","4651","4654","10.1021/jacs.7b01490","","","0.895","synchrotron","","0.0717","0.0618","","","0.1446","0.1494","","","","","","0.999","","","","has coordinates","197285","2020-10-21","18:00:00",""
"4126152","10.89189","0.00007","11.24945","0.00008","14.39801","0.00009","90","","90","","90","","1764.16","0.02","150","0.1","150","0.1","","","","","","","synthesis as described","4","P 21 21 21","P 2ac 2ab","19","","","","- C19 H20 N2 O4 -","- C19 H20 N2 O4 -","- C76 H80 N8 O16 -","4","1","","Sanchez-Sanchez, Ana; Rivilla, Ivan; Agirre, Maddalen; Basterretxea, Andere; Etxeberria, Agustin; Veloso, Antonio; Sardon, Haritz; Mecerreyes, David; Cossío, Fernando P","Enantioselective Ring-Opening Polymerization of rac-Lactide Dictated by Densely Substituted Amino Acids.","Journal of the American Chemical Society","2017","139","13","4805","4814","10.1021/jacs.6b13080","","x-ray","1.54184","CuKα","","0.03","0.0298","","","0.077","0.0771","","","","","","1.059","","","","has coordinates","197286","2020-10-21","18:00:00",""
"4126153","22.12","0.0017","22.8814","0.0016","9.7523","0.0007","90","","90","","90","","4936","0.6","100","2","100","2","","","","","","","","7","P 21 21 2","P 2 2ab","18","compound4","compound4","","- C57 H63 O P2 Rh S Si -","- C57 H63 O P2 Rh S Si -","- C228 H252 O4 P8 Rh4 S4 Si4 -","4","1","","Lee, Taegyo; Hartwig, John F.","Mechanistic Studies on Rhodium-Catalyzed Enantioselective Silylation of Aryl C-H Bonds.","Journal of the American Chemical Society","2017","139","13","4879","4886","10.1021/jacs.7b00737","","","0.71073","MoKα","","0.0224","0.0207","","","0.0457","0.0466","","","","","","1.048","","","","has coordinates","204147","2020-10-21","18:00:00",""
"4126154","17.2315","0.0015","12.7392","0.0011","19.4043","0.0016","90","","90","","90","","4259.5","0.6","100","2","100.04","","","","","","","","","5","C m c 21","C 2c -2","36","","","","- C30.44 H68.49 Mn4.39 N8 O1.17 -","- C30.436 H68.481 Mn4.391 N8 O1.173 -","- C121.744 H273.924 Mn17.564 N32 O4.692 -","4","0.5","","Vaddypally, Shivaiah; Kondaveeti, Sandeep K.; Karki, Santosh; Van Vliet, Megan M.; Levis, Robert J.; Zdilla, Michael J.","Reactive Pendant Mn═O in a Synthetic Structural Model of a Proposed S4 State in the Photosynthetic Oxygen Evolving Complex.","Journal of the American Chemical Society","2017","139","13","4675","4681","10.1021/jacs.6b05906","","","0.71073","MoKα","","0.0285","0.0267","","","0.0645","0.0662","","","","","","1.083","","","","has coordinates,has disorder","197288","2020-10-21","18:00:00",""
"4126155","34.7647","0.0011","34.7647","0.0011","10.8425","0.0004","90","","90","","120","","11348.5","0.7","100","2","99.95","","","","","","","","","4","R 3 m :H","R 3 -2""","160","","","","- C28 H64 Mn4 N8 -","- C28 H63.625 Mn4 N8 -","- C336 H763.5 Mn48 N96 -","12","0.666667","","Vaddypally, Shivaiah; Kondaveeti, Sandeep K.; Karki, Santosh; Van Vliet, Megan M.; Levis, Robert J.; Zdilla, Michael J.","Reactive Pendant Mn═O in a Synthetic Structural Model of a Proposed S4 State in the Photosynthetic Oxygen Evolving Complex.","Journal of the American Chemical Society","2017","139","13","4675","4681","10.1021/jacs.6b05906","","","0.71073","MoKα","","0.023","0.0215","","","0.0543","0.0551","","","","","","1.042","","","","has coordinates,has disorder","208816","2020-10-21","18:00:00",""
"4126156","9.801","0.0002","29.7197","0.0007","16.1655","0.0004","90","","95.389","0.001","90","","4687.92","0.19","100","2","100","2","","","","","","","","7","P 1 21/n 1","-P 2yn","14","[Cu2((1,4-bis(4-tolyl)-1,2,3-triazolide)DPFN](NTf2)","","","- C48 H34 Cu2 F8 N10 O4 S2 -","- C48 H34 Cu2 F8 N10 O4 S2 -","- C192 H136 Cu8 F32 N40 O16 S8 -","4","1","","Ziegler, Micah S.; Lakshmi, K. V.; Tilley, T. Don","Dicopper Cu(I)Cu(I) and Cu(I)Cu(II) Complexes in Copper-Catalyzed Azide-Alkyne Cycloaddition.","Journal of the American Chemical Society","2017","139","15","5378","5386","10.1021/jacs.6b13261","","","0.71073","MoKα","","0.0384","0.0332","","","0.085","0.0881","","","","","","1.027","","","","has coordinates,has disorder","197289","2020-10-21","18:00:00",""
"4126157","5.1711","0.0002","8.6014","0.0002","38.2861","0.0012","90","","90","","90","","1702.92","0.09","293","2","293","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C16 H17 F4 N O4 S -","- C16 H17 F4 N O4 S -","- C64 H68 F16 N4 O16 S4 -","4","1","","Zhang, Zhongyin; Wang, Jinxin; Li, Jian; Yang, Fan; Liu, Guodu; Tang, Wenjun; He, Weiwei; Fu, Jian-Jun; Shen, Yun-Heng; Li, Ang; Zhang, Wei-Dong","Total Synthesis and Stereochemical Assignment of Delavatine A: Rh-Catalyzed Asymmetric Hydrogenation of Indene-Type Tetrasubstituted Olefins and Kinetic Resolution through Pd-Catalyzed Triflamide-Directed C-H Olefination.","Journal of the American Chemical Society","2017","139","15","5558","5567","10.1021/jacs.7b01718","","","1.54178","CuKα","","0.0723","0.0712","","","0.1529","0.1549","","","","","","1.054","","","","has coordinates","197290","2020-10-21","18:00:00",""
"4126158","5.8162","0.0008","14.731","0.002","14.1976","0.0019","90","","95.494","0.003","90","","1210.8","0.3","293","2","293","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C23 H35 O6 P -","- C23 H35 O6 P -","- C46 H70 O12 P2 -","2","1","","Zhang, Zhongyin; Wang, Jinxin; Li, Jian; Yang, Fan; Liu, Guodu; Tang, Wenjun; He, Weiwei; Fu, Jian-Jun; Shen, Yun-Heng; Li, Ang; Zhang, Wei-Dong","Total Synthesis and Stereochemical Assignment of Delavatine A: Rh-Catalyzed Asymmetric Hydrogenation of Indene-Type Tetrasubstituted Olefins and Kinetic Resolution through Pd-Catalyzed Triflamide-Directed C-H Olefination.","Journal of the American Chemical Society","2017","139","15","5558","5567","10.1021/jacs.7b01718","","","0.71073","MoKα","","0.0776","0.06","","","0.1218","0.131","","","","","","1.001","","","","has coordinates,has disorder","197291","2020-10-21","18:00:00",""
"4126159","11.5579","0.0003","13.5603","0.0004","14.1952","0.0004","90","","90","","90","","2224.79","0.11","100","2","100","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C25 H20 Cl N3 O5 -","- C25 H20 Cl N3 O5 -","- C100 H80 Cl4 N12 O20 -","4","1","","Rombola, Michael; Sumaria, Chintan S.; Montgomery, Thomas D.; Rawal, Viresh H.","Development of Chiral, Bifunctional Thiosquaramides: Enantioselective Michael Additions of Barbituric Acids to Nitroalkenes.","Journal of the American Chemical Society","2017","139","15","5297","5300","10.1021/jacs.7b01115","","","1.54178","CuKα","","0.0235","0.023","","","0.0602","0.0605","","","","","","1.02","","","","has coordinates","197292","2020-10-21","18:00:00",""
"4126160","12.1129","0.0009","12.7793","0.001","13.0678","0.001","69.583","0.002","68.112","0.002","75.921","0.002","1744.1","0.2","123","2","123","2","","","","","","","","4","P -1","-P 1","2","","","","- C34 H46 N6 O9 -","- C34 H46 N6 O9 -","- C68 H92 N12 O18 -","2","1","","Shen, Jie; Ren, Changliang; Zeng, Huaqiang","Surprisingly High Selectivity and High Affinity in Mercury Recognition by H-Bonded Cavity-Containing Aromatic Foldarands.","Journal of the American Chemical Society","2017","139","15","5387","5396","10.1021/jacs.6b13342","","","0.71073","MoKα","","0.1344","0.0642","","","0.1561","0.1967","","","","","","1.016","","","","has coordinates,has disorder","197293","2020-10-21","18:00:00",""
"4126161","8.0948","0.0003","6.72581","0.00017","9.5368","0.0003","90","","110.999","0.004","90","","484.74","0.03","100","0.1","100","0.1","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C10 H8 F3 N O2 -","- C10 H8 F3 N O2 -","- C20 H16 F6 N2 O4 -","2","1","","Tinoco, Antonio; Steck, Viktoria; Tyagi, Vikas; Fasan, Rudi","Highly Diastereo- and Enantioselective Synthesis of Trifluoromethyl-Substituted Cyclopropanes via Myoglobin-Catalyzed Transfer of Trifluoromethylcarbene.","Journal of the American Chemical Society","2017","139","15","5293","5296","10.1021/jacs.7b00768","","x-ray","1.54184","CuKα","","0.0303","0.0294","","","0.0791","0.0796","","","","","","1.065","","","","has coordinates","197294","2020-10-21","18:00:00",""
"4126162","8.3602","0.0006","20.2111","0.0016","23.8869","0.0017","90","","90","","90","","4036.1","0.5","296","2","296","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C40.75 H10.75 B Cl2.25 F12 N11 -","- C40.75 H10.75 B Cl2.25 F12 N11 -","- C163 H43 B4 Cl9 F48 N44 -","4","1","","Winterfeld, Kim A.; Lavarda, Giulia; Guilleme, Julia; Sekita, Michael; Guldi, Dirk M.; Torres, Tomás; Bottari, Giovanni","Subphthalocyanines Axially Substituted with a Tetracyanobuta-1,3-diene-Aniline Moiety: Synthesis, Structure, and Physicochemical Properties.","Journal of the American Chemical Society","2017","139","15","5520","5529","10.1021/jacs.7b01460","","","0.71073","MoKα","","0.2302","0.1484","","","0.3648","0.4047","","","","","","1.344","","","","has coordinates","197295","2020-10-21","18:00:00",""
"4126163","12.4697","0.0019","11.1813","0.0015","16.959","0.003","90","","101.431","0.003","90","","2317.6","0.6","173","","173","","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C12 H39 Fe2 N P2 Si2 -","- C12 H39 Fe2 N P2 Si2 -","- C48 H156 Fe8 N4 P8 Si8 -","4","1","","Araake, Ryoichi; Sakadani, Kazuki; Tada, Mizuki; Sakai, Yoichi; Ohki, Yasuhiro","[Fe4] and [Fe6] Hydride Clusters Supported by Phosphines: Synthesis, Characterization, and Application in N2 Reduction.","Journal of the American Chemical Society","2017","139","15","5596","5606","10.1021/jacs.7b01965","","","0.71075","MoKα","","0.031","0.0271","","","0.0744","0.0769","","","","","","1.066","","","","has coordinates","197296","2020-10-21","18:00:00",""
"4126164","12.2","","12.193","","21.38","","90","","96.986","","90","","3156.76","","173","","173","","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C25 H43 Fe2 N P2 Si2 -","- C25 H43 Fe2 N P2 Si2 -","- C100 H172 Fe8 N4 P8 Si8 -","4","1","","Araake, Ryoichi; Sakadani, Kazuki; Tada, Mizuki; Sakai, Yoichi; Ohki, Yasuhiro","[Fe4] and [Fe6] Hydride Clusters Supported by Phosphines: Synthesis, Characterization, and Application in N2 Reduction.","Journal of the American Chemical Society","2017","139","15","5596","5606","10.1021/jacs.7b01965","","","0.71075","MoKα","","0.0508","0.0447","","","0.1285","0.1338","","","","","","1.086","","","","has coordinates","197296","2020-10-21","18:00:00",""
"4126165","12.824","0.002","19.427","0.003","12.822","0.002","90","","119.741","0.004","90","","2773.6","0.8","173","","173","","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C36 H102 Fe4 N2 P4 Si4 -","- C36 H102 Fe4 N2 P4 Si4 -","- C72 H204 Fe8 N4 P8 Si8 -","2","0.5","","Araake, Ryoichi; Sakadani, Kazuki; Tada, Mizuki; Sakai, Yoichi; Ohki, Yasuhiro","[Fe4] and [Fe6] Hydride Clusters Supported by Phosphines: Synthesis, Characterization, and Application in N2 Reduction.","Journal of the American Chemical Society","2017","139","15","5596","5606","10.1021/jacs.7b01965","","","0.71075","MoKα","","0.0474","0.0326","","","0.0692","0.0751","","","","","","1.051","","","","has coordinates","197296","2020-10-21","18:00:00",""
"4126166","9.093","0.0015","17.649","0.003","18.004","0.003","90","","104.213","0.002","90","","2800.9","0.8","173","","173","","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C15 H51 Fe3 P5 -","- C15 H51 Fe3 P5 -","- C60 H204 Fe12 P20 -","4","1","","Araake, Ryoichi; Sakadani, Kazuki; Tada, Mizuki; Sakai, Yoichi; Ohki, Yasuhiro","[Fe4] and [Fe6] Hydride Clusters Supported by Phosphines: Synthesis, Characterization, and Application in N2 Reduction.","Journal of the American Chemical Society","2017","139","15","5596","5606","10.1021/jacs.7b01965","","","0.71075","MoKα","","0.0367","0.0305","","","0.0778","0.0813","","","","","","1.097","","","","has coordinates","197296","2020-10-21","18:00:00",""
"4126167","56.57","0.02","9.416","0.003","20.221","0.009","90","","109.6","0.001","90","","10147","7","173","","173","","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C31 H82 Fe4 N4 Si8 -","- C31 H82 Fe4 N4 Si8 -","- C248 H656 Fe32 N32 Si64 -","8","1","","Araake, Ryoichi; Sakadani, Kazuki; Tada, Mizuki; Sakai, Yoichi; Ohki, Yasuhiro","[Fe4] and [Fe6] Hydride Clusters Supported by Phosphines: Synthesis, Characterization, and Application in N2 Reduction.","Journal of the American Chemical Society","2017","139","15","5596","5606","10.1021/jacs.7b01965","","","0.71075","MoKα","","0.0661","0.0491","","","0.1556","0.1606","","","","","","1.139","","","","has coordinates","197296","2020-10-21","18:00:00",""
"4126168","11.6275","0.0011","12.8701","0.001","13.8878","0.001","68.049","0.004","80.992","0.005","84.412","0.006","1902.1","0.3","173","","173","","","","","","","","","5","P -1","-P 1","2","","","","- C36.5 H46 Fe2 P2 S -","- C36.5 H46 Fe2 P2 S -","- C73 H92 Fe4 P4 S2 -","2","1","","Araake, Ryoichi; Sakadani, Kazuki; Tada, Mizuki; Sakai, Yoichi; Ohki, Yasuhiro","[Fe4] and [Fe6] Hydride Clusters Supported by Phosphines: Synthesis, Characterization, and Application in N2 Reduction.","Journal of the American Chemical Society","2017","139","15","5596","5606","10.1021/jacs.7b01965","","","0.71075","MoKα","","0.0449","0.041","","","0.1318","0.135","","","","","","1.1","","","","has coordinates","197296","2020-10-21","18:00:00",""
"4126169","17.01","","14.8254","","27.41","","90","","104.343","","90","","6696.8","","173","","173","","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C55 H94 Fe4 N2 O P2 Si6 -","- C55 H94 Fe4 N2 O P2 Si6 -","- C220 H376 Fe16 N8 O4 P8 Si24 -","4","1","","Araake, Ryoichi; Sakadani, Kazuki; Tada, Mizuki; Sakai, Yoichi; Ohki, Yasuhiro","[Fe4] and [Fe6] Hydride Clusters Supported by Phosphines: Synthesis, Characterization, and Application in N2 Reduction.","Journal of the American Chemical Society","2017","139","15","5596","5606","10.1021/jacs.7b01965","","","0.71075","MoKα","","0.0544","0.0455","","","0.1185","0.1221","","","","","","0.935","","","","has coordinates","197296","2020-10-21","18:00:00",""
"4126170","14.5261","0.0014","14.9231","0.0014","19.419","0.002","87.674","0.006","84.043","0.006","62.903","0.004","3727.1","0.6","173","","173","","","","","","","","","5","P -1","-P 1","2","","","","- C42 H114 Fe6.4 N6 Si12 -","- C42 H114 Fe6.4 N6 Si12 -","- C84 H228 Fe12.8 N12 Si24 -","2","1","","Araake, Ryoichi; Sakadani, Kazuki; Tada, Mizuki; Sakai, Yoichi; Ohki, Yasuhiro","[Fe4] and [Fe6] Hydride Clusters Supported by Phosphines: Synthesis, Characterization, and Application in N2 Reduction.","Journal of the American Chemical Society","2017","139","15","5596","5606","10.1021/jacs.7b01965","","","0.71075","MoKα","","0.0854","0.0626","","","0.1849","0.2001","","","","","","0.881","","","","has coordinates","197296","2020-10-21","18:00:00",""
"4126171","9.961","0.005","14.995","0.005","23.36","0.005","90","0.005","101.013","0.005","90","0.005","3425","2","100","2","100","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C26 H32 Cl2 Co3 Mn N3 O14 -","- C26 H32 Cl2 Co3 Mn N3 O14 -","- C104 H128 Cl8 Co12 Mn4 N12 O56 -","4","1","","Nguyen, Andy I.; Suess, Daniel L. M.; Darago, Lucy E.; Oyala, Paul H.; Levine, Daniel S.; Ziegler, Micah S.; Britt, R. David; Tilley, T. Don","Manganese-Cobalt Oxido Cubanes Relevant to Manganese-Doped Water Oxidation Catalysts.","Journal of the American Chemical Society","2017","139","15","5579","5587","10.1021/jacs.7b01792","","","0.71073","MoKα","","0.0835","0.0684","","","0.1626","0.1746","","","","","","1.035","","","","has coordinates","197297","2020-10-21","18:00:00",""
"4126172","14.9291","0.0004","19.8299","0.0005","23.3866","0.0007","90","","95.45","0.002","90","","6892.1","0.3","100","2","293","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C23 H0 Cl Co3 Mn N3 O12 -","- C24.5 H30 Cl4 Co3 Mn N3 O12 -","- C196 H240 Cl32 Co24 Mn8 N24 O96 -","8","2","","Nguyen, Andy I.; Suess, Daniel L. M.; Darago, Lucy E.; Oyala, Paul H.; Levine, Daniel S.; Ziegler, Micah S.; Britt, R. David; Tilley, T. Don","Manganese-Cobalt Oxido Cubanes Relevant to Manganese-Doped Water Oxidation Catalysts.","Journal of the American Chemical Society","2017","139","15","5579","5587","10.1021/jacs.7b01792","","","0.71073","MoKα","","0.0867","0.0569","","","0.1303","0.1464","","","","","","1.028","","","","has coordinates","197298","2020-10-21","18:00:00",""
"4126173","17.957","0.005","11.196","0.005","21.836","0.005","90","0.005","90","0.005","90","0.005","4390","3","200","2","200","2","","","","","","","","7","P n m a","-P 2ac 2n","62","","","","- C13.5 H17.5 Cl4 Co1.5 Mn0.5 N2.5 O8 -","- C13.5 H17.5 Cl4 Co1.5 Mn0.5 N2.5 O8 -","- C108 H140 Cl32 Co12 Mn4 N20 O64 -","8","1","","Nguyen, Andy I.; Suess, Daniel L. M.; Darago, Lucy E.; Oyala, Paul H.; Levine, Daniel S.; Ziegler, Micah S.; Britt, R. David; Tilley, T. Don","Manganese-Cobalt Oxido Cubanes Relevant to Manganese-Doped Water Oxidation Catalysts.","Journal of the American Chemical Society","2017","139","15","5579","5587","10.1021/jacs.7b01792","","","0.71073","MoKα","","0.0623","0.0515","","","0.1579","0.1721","","","","","","1.047","","","","has coordinates","197299","2020-10-21","18:00:00",""
"4126174","11.348","0.005","25.096","0.014","15.243","0.007","90","","99.341","0.009","90","","4283","4","100","2","100","2","","","","","","","","9","C 1 2/c 1","-C 2yc","15","ain8159","","","- C30 H36 Cl4 Co3 F6 Mn N4 O12 P -","- C30 H36 Cl4 Co3 F6 Mn N4 O12 P -","- C120 H144 Cl16 Co12 F24 Mn4 N16 O48 P4 -","4","0.5","","Nguyen, Andy I.; Suess, Daniel L. M.; Darago, Lucy E.; Oyala, Paul H.; Levine, Daniel S.; Ziegler, Micah S.; Britt, R. David; Tilley, T. Don","Manganese-Cobalt Oxido Cubanes Relevant to Manganese-Doped Water Oxidation Catalysts.","Journal of the American Chemical Society","2017","139","15","5579","5587","10.1021/jacs.7b01792","","","0.71073","MoKα","","0.0798","0.0515","","","0.1333","0.1729","","","","","","1.06","","","","has coordinates,has disorder","197300","2020-10-21","18:00:00",""
"4126175","9.8618","0.0004","6.3632","0.0002","11.405","0.0006","90","","112.453","0.005","90","","661.44","0.05","293","2","293","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C12 H13 Cl3 O -","- C12 H13 Cl3 O -","- C24 H26 Cl6 O2 -","2","1","","Tan, Yu; Luo, Shilong; Li, Dongmei; Zhang, Nan; Jia, Shiqi; Liu, Yidong; Qin, Wenling; Song, Choong Eui; Yan, Hailong","Enantioselective Synthesis of anti-syn-Trihalides and anti-syn-anti-Tetrahalides via Asymmetric β-Elimination.","Journal of the American Chemical Society","2017","139","18","6431","6436","10.1021/jacs.7b02076","","","0.71073","MoKα","","0.045","0.0354","","","0.08","0.0874","","","","","","1.046","","","","has coordinates","197301","2020-10-21","18:00:00",""
"4126176","10.6982","0.0005","30.0863","0.0014","13.1081","0.0006","90","","103.64","0.001","90","","4100.1","0.3","230","2","230","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C44 H39 Cl2 Fe N7 O8 -","- C44 H39 Cl2 Fe N7 O8 -","- C176 H156 Cl8 Fe4 N28 O32 -","4","1","","Phan, Hoa; Hrudka, Jeremy J.; Igimbayeva, Dilyara; Lawson Daku, Latévi M; Shatruk, Michael","A Simple Approach for Predicting the Spin State of Homoleptic Fe(II) Tris-diimine Complexes.","Journal of the American Chemical Society","2017","139","18","6437","6447","10.1021/jacs.7b02098","","","0.71073","MoKα","","0.0627","0.0466","","","0.1276","0.1436","","","","","","1.049","","","","has coordinates,has disorder","197302","2020-10-21","18:00:00",""
"4126177","13.464","0.003","16.332","0.004","13.454","0.003","90","","96.9226","0.0019","90","","2936.9","1.2","113","","113","","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C28 H40 Cl3 N2 Nb -","- C28 H40 Cl3 N2 Nb -","- C112 H160 Cl12 N8 Nb4 -","4","1","","Nishiyama, Haruka; Ikeda, Hideaki; Saito, Teruhiko; Kriegel, Benjamin; Tsurugi, Hayato; Arnold, John; Mashima, Kazushi","Structural and Electronic Noninnocence of α-Diimine Ligands on Niobium for Reductive C-Cl Bond Activation and Catalytic Radical Addition Reactions.","Journal of the American Chemical Society","2017","139","18","6494","6505","10.1021/jacs.7b02710","","","0.71075","MoKα","","0.0324","0.0303","","","0.0766","0.0781","","","","","","1.035","","","","has coordinates","197303","2020-10-21","18:00:00",""
"4126178","10.3441","0.001","12.4185","0.0011","21.662","0.002","90","","90.088","0.005","90","","2782.7","0.4","113","","113","","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C26 H36 Cl3 N2 Nb -","- C26 H36 Cl3 N2 Nb -","- C104 H144 Cl12 N8 Nb4 -","4","1","","Nishiyama, Haruka; Ikeda, Hideaki; Saito, Teruhiko; Kriegel, Benjamin; Tsurugi, Hayato; Arnold, John; Mashima, Kazushi","Structural and Electronic Noninnocence of α-Diimine Ligands on Niobium for Reductive C-Cl Bond Activation and Catalytic Radical Addition Reactions.","Journal of the American Chemical Society","2017","139","18","6494","6505","10.1021/jacs.7b02710","","","0.71075","MoKα","","0.1432","0.0993","","","0.263","0.2978","","","","","","1.054","","","","has coordinates","197303","2020-10-21","18:00:00",""
"4126179","8.9239","0.0008","8.9564","0.0009","10.7523","0.001","83.181","0.003","71.363","0.003","67.662","0.003","753.21","0.13","113","","113","","","","","","","","","5","P 1","P 1","1","","","","- C28 H40 Cl4 N2 Nb -","- C28 H40 Cl4 N2 Nb -","- C28 H40 Cl4 N2 Nb -","1","1","","Nishiyama, Haruka; Ikeda, Hideaki; Saito, Teruhiko; Kriegel, Benjamin; Tsurugi, Hayato; Arnold, John; Mashima, Kazushi","Structural and Electronic Noninnocence of α-Diimine Ligands on Niobium for Reductive C-Cl Bond Activation and Catalytic Radical Addition Reactions.","Journal of the American Chemical Society","2017","139","18","6494","6505","10.1021/jacs.7b02710","","","0.71075","MoKα","","0.0757","0.0608","","","0.1589","0.1865","","","","","","1.01","","","","has coordinates","197303","2020-10-21","18:00:00",""
"4126180","10.4231","0.0009","12.6112","0.0009","21.4888","0.0015","90.1387","0.0018","90.051","0.003","90.043","0.003","2824.6","0.4","113","","113","","","","","","","","","5","P -1","-P 1","2","","","","- C26 H36 Cl4 N2 Nb -","- C26 H36 Cl4 N2 Nb -","- C104 H144 Cl16 N8 Nb4 -","4","2","","Nishiyama, Haruka; Ikeda, Hideaki; Saito, Teruhiko; Kriegel, Benjamin; Tsurugi, Hayato; Arnold, John; Mashima, Kazushi","Structural and Electronic Noninnocence of α-Diimine Ligands on Niobium for Reductive C-Cl Bond Activation and Catalytic Radical Addition Reactions.","Journal of the American Chemical Society","2017","139","18","6494","6505","10.1021/jacs.7b02710","","","0.71075","MoKα","","","0.0872","","","","0.2344","","","","","","1.043","","","","has coordinates","197303","2020-10-21","18:00:00",""
"4126181","15.1156","0.0012","13.154","0.0008","24.238","0.003","90","","104.615","0.004","90","","4663.3","0.7","113","","113","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C42 H72 Cl4 N3 Nb -","- C42 H72 Cl4 N3 Nb -","- C168 H288 Cl16 N12 Nb4 -","4","1","","Nishiyama, Haruka; Ikeda, Hideaki; Saito, Teruhiko; Kriegel, Benjamin; Tsurugi, Hayato; Arnold, John; Mashima, Kazushi","Structural and Electronic Noninnocence of α-Diimine Ligands on Niobium for Reductive C-Cl Bond Activation and Catalytic Radical Addition Reactions.","Journal of the American Chemical Society","2017","139","18","6494","6505","10.1021/jacs.7b02710","","","0.71075","MoKα","","","0.0608","","","","0.1613","","","","","","1.127","","","","has coordinates","197303","2020-10-21","18:00:00",""
"4126182","35.943","0.003","35.943","0.003","35.943","0.003","90","","90","","90","","46435","7","100","2","100","2","","","","","","","","5","I m -3 m","-I 4 2 3","229","ZIF-360","","","- C18.8 H14.1 N9.7 O3.4 Zn2 -","- C18.8 H14.1 N9.7 O3.4 Zn2 -","- C902.4 H676.8 N465.6 O163.2 Zn96 -","48","0.5","","Yang, Jingjing; Zhang, Yue-Biao; Liu, Qi; Trickett, Christopher A.; Gutiérrez-Puebla, Enrique; Monge, M Ángeles; Cong, Hengjiang; Aldossary, Abdulrahman; Deng, Hexiang; Yaghi, Omar M.","Principles of Designing Extra-Large Pore Openings and Cages in Zeolitic Imidazolate Frameworks.","Journal of the American Chemical Society","2017","139","18","6448","6455","10.1021/jacs.7b02272","","","1.2399","synchrotron","","0.066","0.0597","","","0.1815","0.1875","","","","","","1.095","","","","has coordinates,has disorder","197304","2020-10-21","18:00:00",""
"4126183","22.688","0.003","22.688","0.003","22.688","0.003","90","","90","","90","","11679","3","100","2","100","2","","","","","","","","5","P m -3 m","-P 4 2 3","221","ZIF-376","","","- C7.25 H5.75 N4.25 O0.5 Zn -","- C7.25 H5.625 N4.25 O0.5 Zn -","- C174 H135 N102 O12 Zn24 -","24","0.5","","Yang, Jingjing; Zhang, Yue-Biao; Liu, Qi; Trickett, Christopher A.; Gutiérrez-Puebla, Enrique; Monge, M Ángeles; Cong, Hengjiang; Aldossary, Abdulrahman; Deng, Hexiang; Yaghi, Omar M.","Principles of Designing Extra-Large Pore Openings and Cages in Zeolitic Imidazolate Frameworks.","Journal of the American Chemical Society","2017","139","18","6448","6455","10.1021/jacs.7b02272","","","1.54178","CuKα","","0.1366","0.1189","","","0.3241","0.3415","","","","","","1.092","","","","has coordinates,has disorder","197305","2020-10-21","18:00:00",""
"4126184","26.9457","0.0015","26.9457","0.0015","26.763","0.002","90","","90","","120","","16828.5","1.8","298","2","298","2","","","","","","","","6","R -3","-R 3","148","ZIF-303","","","- C7.5 H4 Cl0.5 N4.25 O0.5 Zn -","- C7.5 H4 Cl0.5 N4.25 O0.5 Zn -","- C270 H144 Cl18 N153 O18 Zn36 -","36","","","Yang, Jingjing; Zhang, Yue-Biao; Liu, Qi; Trickett, Christopher A.; Gutiérrez-Puebla, Enrique; Monge, M Ángeles; Cong, Hengjiang; Aldossary, Abdulrahman; Deng, Hexiang; Yaghi, Omar M.","Principles of Designing Extra-Large Pore Openings and Cages in Zeolitic Imidazolate Frameworks.","Journal of the American Chemical Society","2017","139","18","6448","6455","10.1021/jacs.7b02272","","","0.7749","synchrotron","","0.2176","0.1247","","","0.3101","0.4031","","","","","","1.189","","","","has coordinates,has disorder","197306","2020-10-21","18:00:00",""
"4126185","25.9453","0.0006","25.9453","0.0006","19.5015","0.0006","90","","90","","120","","11368.8","0.5","100","2","100","2","","","","","","","","6","P 63/m m c","-P 6c 2c","194","ZIF-410","","","- C11 H7 Cl N4 O Zn -","- C11 H7 Cl N4 O Zn -","- C264 H168 Cl24 N96 O24 Zn24 -","24","1","","Yang, Jingjing; Zhang, Yue-Biao; Liu, Qi; Trickett, Christopher A.; Gutiérrez-Puebla, Enrique; Monge, M Ángeles; Cong, Hengjiang; Aldossary, Abdulrahman; Deng, Hexiang; Yaghi, Omar M.","Principles of Designing Extra-Large Pore Openings and Cages in Zeolitic Imidazolate Frameworks.","Journal of the American Chemical Society","2017","139","18","6448","6455","10.1021/jacs.7b02272","","","1.54178","CuKα","","0.0765","0.0692","","","0.2403","0.2506","","","","","","1.138","","","","has coordinates,has disorder","197307","2020-10-21","18:00:00",""
"4126186","14.912","0.0005","21.0584","0.0007","7.2943","0.0003","90","","101.1","0.002","90","","2247.73","0.14","100","2","100","","","","","","","","","6","C 1 c 1","C -2yc","9","BAD1-BE","","","- C28 H25 B F2 N2 O2 -","- C28 H25 B F2 N2 O2 -","- C112 H100 B4 F8 N8 O8 -","4","1","","Filatov, Mikhail A.; Karuthedath, Safakath; Polestshuk, Pavel M.; Savoie, Huguette; Flanagan, Keith J.; Sy, Cindy; Sitte, Elisabeth; Telitchko, Maxime; Laquai, Frédéric; Boyle, Ross W.; Senge, Mathias O.","Generation of Triplet Excited States via Photoinduced Electron Transfer in meso-anthra-BODIPY: Fluorogenic Response toward Singlet Oxygen in Solution and in Vitro.","Journal of the American Chemical Society","2017","139","18","6282","6285","10.1021/jacs.7b00551","","x-ray","1.54178","CuKα","","0.0613","0.058","","","0.1602","0.1639","","","","","","1.054","","","","has coordinates,has disorder","197308","2020-10-21","18:00:00",""
"4126187","14.258","0.0014","17.7595","0.0018","18.3616","0.0018","90","","106.098","0.003","90","","4467.1","0.8","100","2","100","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C31 H34 Cl14 P2 Sb2 -","- C31 H34 Cl14 P2 Sb2 -","- C124 H136 Cl56 P8 Sb8 -","4","1","","Schevenels, Florian T.; Shen, Minxing; Snyder, Scott A.","Isolable and Readily Handled Halophosphonium Pre-reagents for Hydro- and Deuteriohalogenation.","Journal of the American Chemical Society","2017","139","18","6329","6337","10.1021/jacs.6b12653","","","0.71073","MoKα","","0.067","0.0394","","","0.0783","0.087","","","","","","1.013","","","","has coordinates","197309","2020-10-21","18:00:00",""
"4126188","9.845","0.002","17.109","0.004","12.769","0.003","90","","98.083","0.005","90","","2129.4","0.8","296","2","296","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C27 H23 N Si -","- C27 H23 N Si -","- C108 H92 N4 Si4 -","4","1","","Han, Yuxi; Zhang, Sutao; He, Jianghua; Zhang, Yuetao","B(C6F5)3-Catalyzed (Convergent) Disproportionation Reaction of Indoles.","Journal of the American Chemical Society","2017","139","21","7399","7407","10.1021/jacs.7b03534","","","0.71073","MoKα","","0.0797","0.059","","","0.1582","0.1735","","","","","","1.093","","","","has coordinates","197310","2020-10-21","18:00:00",""
"4126189","6.5876","0.0005","11.5796","0.0009","23.9814","0.0019","90","","90","","90","","1829.3","0.2","133","2","133","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C20 H30 O4 -","- C20 H30 O4 -","- C80 H120 O16 -","4","1","","Slutskyy, Yuriy; Jamison, Christopher R.; Zhao, Peng; Lee, Juyeol; Rhee, Young Ho; Overman, Larry E.","Versatile Construction of 6-Substituted cis-2,8-Dioxabicyclo[3.3.0]octan-3-ones: Short Enantioselective Total Syntheses of Cheloviolenes A and B and Dendrillolide C.","Journal of the American Chemical Society","2017","139","21","7192","7195","10.1021/jacs.7b04265","","","0.71073","MoKα","","0.0343","0.032","","","0.0822","0.084","","","","","","1.034","","","","has coordinates","197311","2020-10-21","18:00:00",""
"4126190","5.9182","0.0012","11.437","0.002","23.063","0.005","84.78","0.03","89.98","0.03","74.96","0.03","1500.9","0.6","123","2","123","2","","","","","","","","4","P -1","-P 1","2","","","","- C17 H10 N3 O2 -","- C17 H19 N3 O2 -","- C68 H76 N12 O8 -","4","2","","Ott, Amy A.; Goshey, Charles S.; Topczewski, Joseph J.","Dynamic Kinetic Resolution of Allylic Azides via Asymmetric Dihydroxylation.","Journal of the American Chemical Society","2017","139","23","7737","7740","10.1021/jacs.7b04203","","","1.54178","CuKα","","0.0572","0.0482","","","0.1128","0.1178","","","","","","1.059","","","","has coordinates","200671","2020-10-21","18:00:00",""
"4126191","6.029","0.0002","10.7498","0.0004","11.652","0.0004","90","","92.969","0.001","90","","754.16","0.05","293","2","293","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C17 H19 N3 O2 -","- C17 H19 N3 O2 -","- C34 H38 N6 O4 -","2","1","","Ott, Amy A.; Goshey, Charles S.; Topczewski, Joseph J.","Dynamic Kinetic Resolution of Allylic Azides via Asymmetric Dihydroxylation.","Journal of the American Chemical Society","2017","139","23","7737","7740","10.1021/jacs.7b04203","","","1.54178","CuKα","","0.0288","0.0273","","","0.0704","0.0711","","","","","","1.026","","","","has coordinates","200671","2020-10-21","18:00:00",""
"4126192","41.7868","0.0004","41.7868","0.0004","41.7868","0.0004","90","","90","","90","","72965.5","1.2","296","2","296.15","","","","","","","","","6","F 41 3 2","F 4d 2 3","210","","","","- C720 H816 Cu24 N48 O152 Zn32 -","- C720 H816 Cu24 N48 O152 Zn32 -","- C1440 H1632 Cu48 N96 O304 Zn64 -","2","0.0208333","","Xia, Qingchun; Li, Zijian; Tan, Chunxia; Liu, Yan; Gong, Wei; Cui, Yong","Multivariate Metal-Organic Frameworks as Multifunctional Heterogeneous Asymmetric Catalysts for Sequential Reactions.","Journal of the American Chemical Society","2017","139","24","8259","8266","10.1021/jacs.7b03113","","","1.54178","CuKα","","0.1709","0.1242","","","0.364","0.4225","","","","","","1.566","","","","has coordinates,has disorder","200657","2020-10-21","18:00:00",""
"4126193","25.4241","0.0007","25.4241","0.0007","30.4446","0.0008","90","","90","","90","","19678.9","0.9","173","2","173","2","","","","","","","","6","P 42/m m c","-P 4c 2","131","","","","- C77 H24 Cu12 N28 O39 Zn12 -","- C77 H24 Cu12 N28 O39 Zn12 -","- C154 H48 Cu24 N56 O78 Zn24 -","2","0.125","","Tu, Binbin; Pang, Qingqing; Xu, Huoshu; Li, Xiaomin; Wang, Yulin; Ma, Zhen; Weng, Linhong; Li, Qiaowei","Reversible Redox Activity in Multicomponent Metal-Organic Frameworks Constructed from Trinuclear Copper Pyrazolate Building Blocks.","Journal of the American Chemical Society","2017","139","23","7998","8007","10.1021/jacs.7b03578","","","1.54178","CuKα","","0.0761","0.0584","","","0.1701","0.1766","","","","","","1.095","","","","has coordinates","200672","2020-10-21","18:00:00",""
"4126194","38.3063","0.0006","38.3063","0.0006","47.3759","0.0017","90","","90","","120","","60204","3","258","2","258","2","","","","","","","","6","P 63/m","-P 6c","176","","","","- C144 H72 Cu24 N46 O91 Zn24 -","- C144 H72 Cu24 N46 O91 Zn24 -","- C432 H216 Cu72 N138 O273 Zn72 -","3","0.25","","Tu, Binbin; Pang, Qingqing; Xu, Huoshu; Li, Xiaomin; Wang, Yulin; Ma, Zhen; Weng, Linhong; Li, Qiaowei","Reversible Redox Activity in Multicomponent Metal-Organic Frameworks Constructed from Trinuclear Copper Pyrazolate Building Blocks.","Journal of the American Chemical Society","2017","139","23","7998","8007","10.1021/jacs.7b03578","","","1.54178","CuKα","","0.1322","0.0779","","","0.1519","0.1603","","","","","","1.034","","","","has coordinates","200672","2020-10-21","18:00:00",""
"4126195","3.8141","0.0005","5.585","0.0008","14.3443","0.0019","95.385","0.009","96.169","0.009","94.844","0.008","301.07","0.07","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","","","- C14 H10 N2 O2 S2 -","- C14 H10 N2 O2 S2 -","- C14 H10 N2 O2 S2 -","1","0.5","","Liu, Xuncheng; He, Bo; Anderson, Christopher L.; Kang, Jun; Chen, Teresa; Chen, Jinxiang; Feng, Shizhen; Zhang, Lianjie; Kolaczkowski, Matthew A.; Teat, Simon J.; Brady, Michael A.; Zhu, Chenhui; Wang, Lin-Wang; Chen, Junwu; Liu, Yi","para-Azaquinodimethane: A Compact Quinodimethane Variant as an Ambient Stable Building Block for High-Performance Low Band Gap Polymers.","Journal of the American Chemical Society","2017","139","24","8355","8363","10.1021/jacs.7b04031","","","0.7749","synchrotron","","0.0758","0.0525","","","0.1151","0.1251","","","","","","1.018","","","","has coordinates","200662","2020-10-21","18:00:00",""
"4126196","5.5076","0.0003","11.903","0.0007","14.5103","0.0008","86.927","0.003","81.604","0.003","76.84","0.003","916.14","0.09","100","2","100","2","","","","","","","","6","P -1","-P 1","2","","","","- C38 H44 Br2 N2 O2 S4 -","- C38 H44 Br2 N2 O2 S4 -","- C38 H44 Br2 N2 O2 S4 -","1","0.5","","Liu, Xuncheng; He, Bo; Anderson, Christopher L.; Kang, Jun; Chen, Teresa; Chen, Jinxiang; Feng, Shizhen; Zhang, Lianjie; Kolaczkowski, Matthew A.; Teat, Simon J.; Brady, Michael A.; Zhu, Chenhui; Wang, Lin-Wang; Chen, Junwu; Liu, Yi","para-Azaquinodimethane: A Compact Quinodimethane Variant as an Ambient Stable Building Block for High-Performance Low Band Gap Polymers.","Journal of the American Chemical Society","2017","139","24","8355","8363","10.1021/jacs.7b04031","","","0.7749","synchrotron","","0.0518","0.0356","","","0.0789","0.0853","","","","","","1.042","","","","has coordinates,has disorder","200662","2020-10-21","18:00:00",""
"4126197","14.0349","0.0013","14.0349","0.0013","15.639","0.0015","90","","90","","120","","2667.8","0.4","296","2","296","2","","","","","","","","7","R -3 :H","-R 3","148","","","","- C18 H36 B2 Cu N6 O6 S6 -","- C18 H36 B2 Cu N6 O6 S6 -","- C54 H108 B6 Cu3 N18 O18 S18 -","3","0.166667","","Wong, Y. T. Angel; Landmann, Johannes; Finze, Maik; Bryce, David L.","Dynamic Disorder and Electronic Structures of Electron-Precise Dianionic Diboranes: Insights from Solid-State Multinuclear Magnetic Resonance Spectroscopy.","Journal of the American Chemical Society","2017","","","","","10.1021/jacs.7b01783","","","0.71073","MoKα","","0.0916","0.0605","","","0.1189","0.133","","","","","","1.047","","","","has coordinates,has disorder","197623","2020-10-21","18:00:00",""
"4126198","24.246","0.005","13.201","0.003","20.956","0.004","90","","110.86","0.03","90","","6268","3","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","Keinan-93 (Ofer)","","","- C47 H74 Cl N32 O21 -","- C47 H74 Cl N32 O21 -","- C188 H296 Cl4 N128 O84 -","4","1","","Reany, Ofer; Li, Amanda; Yefet, Maayan; Gilson, Michael K.; Keinan, Ehud","Attractive Interactions between Heteroallenes and the Cucurbituril Portal.","Journal of the American Chemical Society","2017","139","24","8138","8145","10.1021/jacs.6b13005","","","0.71073","MoKα","","0.2001","0.1029","","","0.2561","0.2868","","","","","","1.397","","","","has coordinates","199576","2020-10-21","18:00:00",""
"4126199","12.707","0.0003","13.39","0.0003","20.362","0.0004","90","","103.126","0.0014","90","","3374.01","0.13","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","Keinan-92 (Ofer)","","","- C48 H86 Cl2 N32 O24 -","- C48 H86 Cl2 N32 O24 -","- C96 H172 Cl4 N64 O48 -","2","0.5","","Reany, Ofer; Li, Amanda; Yefet, Maayan; Gilson, Michael K.; Keinan, Ehud","Attractive Interactions between Heteroallenes and the Cucurbituril Portal.","Journal of the American Chemical Society","2017","139","24","8138","8145","10.1021/jacs.6b13005","","","0.71073","MoKα","","0.0879","0.063","","","0.1945","0.2092","","","","","","1.107","","","","has coordinates","199576","2020-10-21","18:00:00",""
"4126200","61.483","0.007","61.483","0.007","61.483","0.007","90","","90","","90","","232416","5","293","2","293","2","","","","","","","","5","I 21 3","I 2b 2c 3","199","","","","- C660 H570 Eu10 N90 O60 -","- C660 H570 Eu10 N90 O60 -","- C5280 H4560 Eu80 N720 O480 -","8","0.333333","","Li, Xiao-Zhen; Zhou, Li-Peng; Yan, Liang-Liang; Yuan, Da-Qiang; Lin, Chen-Sheng; Sun, Qing-Fu","Evolution of Luminescent Supramolecular Lanthanide M2nL3n Complexes from Helicates and Tetrahedra to Cubes.","Journal of the American Chemical Society","2017","139","24","8237","8244","10.1021/jacs.7b02764","","","1","Synchrotron","","0.1349","0.1308","","","0.3287","0.3421","","","","","","1.906","","","","has coordinates","200659","2020-10-21","18:00:00",""
"4126201","9.333","0.009","11.991","0.007","24.067","0.016","90","","90","","90","","2693","4","100","2","100","2","","","","","","","","7","P 21 21 21","P 2ac 2ab","19","","","","- C31 H35 Cl N O P Pd -","- C31 H35 Cl N O P Pd -","- C124 H140 Cl4 N4 O4 P4 Pd4 -","4","1","","Lim, Kelvin Meng-Hui; Hayashi, Tamio","Dynamic Kinetic Resolution in Rhodium-Catalyzed Asymmetric Arylation of Phospholene Oxides.","Journal of the American Chemical Society","2017","139","24","8122","8125","10.1021/jacs.7b04570","","","0.71073","MoKα","","0.0767","0.052","","","0.0999","0.1101","","","","","","1.027","","","","has coordinates","199575","2020-10-21","18:00:00",""
"4126202","13.9622","0.0007","13.9622","0.0007","11.1895","0.0011","90","","90","","120","","1889.1","0.2","296","2","296","2","","","","","","","","6","R 3 :H","R 3","146","","","","- C16 H38 Cl3 N O7 Zn -","- C16 H38.0001 Cl3 N O7 Zn -","- C48 H114 Cl9 N3 O21 Zn3 -","3","0.333333","","Li, Wang; He, Chun-Ting; Zeng, Ying; Ji, Cheng-Min; Du, Zi-Yi; Zhang, Wei-Xiong; Chen, Xiao-Ming","Crystalline Supramolecular Gyroscope with a Water Molecule as an Ultrasmall Polar Rotator Modulated by Charge-Assisted Hydrogen Bonds.","Journal of the American Chemical Society","2017","","","","","10.1021/jacs.7b02981","","","0.71073","MoKα","","0.0279","0.0274","","","0.0776","0.0781","","","","","","1.057","","","","has coordinates","197713","2020-10-21","18:00:00",""
"4126203","10.9602","0.0005","13.9583","0.0006","16.7483","0.0007","90","","104.56","0.005","90","","2480","0.2","200","2","200","2","","","","","","","","6","C 1 c 1","C -2yc","9","","","","- C16 H38 Cl3 N O7 Zn -","- C16 H38 Cl3 N O7 Zn -","- C64 H152 Cl12 N4 O28 Zn4 -","4","1","","Li, Wang; He, Chun-Ting; Zeng, Ying; Ji, Cheng-Min; Du, Zi-Yi; Zhang, Wei-Xiong; Chen, Xiao-Ming","Crystalline Supramolecular Gyroscope with a Water Molecule as an Ultrasmall Polar Rotator Modulated by Charge-Assisted Hydrogen Bonds.","Journal of the American Chemical Society","2017","","","","","10.1021/jacs.7b02981","","","0.71073","MoKα","","0.03","0.0267","","","0.0583","0.0601","","","","","","1.019","","","","has coordinates","197714","2020-10-21","18:00:00",""
"4126204","15.4052","0.0004","9.1917","0.0002","9.8522","0.0003","90","","104.873","0.002","90","","1348.33","0.06","200","2","200","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C13 H15 F I N O -","- C13 H15 F I N O -","- C52 H60 F4 I4 N4 O4 -","4","1","","Rezazadeh, Sina; Devannah, Vijayarajan; Watson, Donald A.","Nickel-Catalyzed C-Alkylation of Nitroalkanes with Unactivated Alkyl Iodides.","Journal of the American Chemical Society","2017","","","","","10.1021/jacs.7b04312","","","1.54178","CuKα","","0.0596","0.0522","","","0.1543","0.16","","","","","","1.122","","","","has coordinates","197715","2020-10-21","18:00:00",""
"4126205","29.0905","0.001","5.2366","0.0002","18.6368","0.0007","90","","106.174","0.002","90","","2726.67","0.18","200","2","200","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C14 H17 F N2 O3 -","- C14 H17 F N2 O3 -","- C112 H136 F8 N16 O24 -","8","2","","Rezazadeh, Sina; Devannah, Vijayarajan; Watson, Donald A.","Nickel-Catalyzed C-Alkylation of Nitroalkanes with Unactivated Alkyl Iodides.","Journal of the American Chemical Society","2017","","","","","10.1021/jacs.7b04312","","","1.54178","CuKα","","0.0754","0.0704","","","0.2013","0.2096","","","","","","1.031","","","","has coordinates","197716","2020-10-21","18:00:00",""
"4126206","19.4252","0.0006","19.4252","0.0006","12.1355","0.0004","90","","90","","120","","3965.7","0.2","93","","93","","","","","","","","","5","P 63","P 6c","173","","","","- C21 H22 Cl3 N3 O3 -","- C21 H22 Cl3 N3 O3 -","- C126 H132 Cl18 N18 O18 -","6","1","","Sun, Bo; Balaji, Pandur Venkatesan; Kumagai, Naoya; Shibasaki, Masakatsu","α-Halo Amides as Competent Latent Enolates: Direct Catalytic Asymmetric Mannich-Type Reaction.","Journal of the American Chemical Society","2017","139","24","8295","8301","10.1021/jacs.7b03291","","","1.54187","CuKα","","0.0495","0.045","","","0.1009","0.103","","","","","","1.007","","","","has coordinates","200663","2020-10-21","18:00:00",""
"4126207","19.4558","0.0004","19.4558","0.0004","11.4079","0.0002","90","","90","","120","","3739.68","0.13","93","","93","","","","","","","","","6","P 63","P 6c","173","","","","- C21 H23 Cl F N3 O3 -","- C21 H23 Cl F N3 O3 -","- C126 H138 Cl6 F6 N18 O18 -","6","1","","Sun, Bo; Balaji, Pandur Venkatesan; Kumagai, Naoya; Shibasaki, Masakatsu","α-Halo Amides as Competent Latent Enolates: Direct Catalytic Asymmetric Mannich-Type Reaction.","Journal of the American Chemical Society","2017","139","24","8295","8301","10.1021/jacs.7b03291","","","1.54187","CuKα","","0.0508","0.0486","","","0.1266","0.128","","","","","","1.063","","","","has coordinates","200663","2020-10-21","18:00:00",""
"4126208","9.6942","0.0003","10.5648","0.0003","20.0832","0.0006","90","","90","","90","","2056.87","0.11","93","","93","","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C21 H23 Cl2 N3 O3 -","- C21 H23 Cl2 N3 O3 -","- C84 H92 Cl8 N12 O12 -","4","1","","Sun, Bo; Balaji, Pandur Venkatesan; Kumagai, Naoya; Shibasaki, Masakatsu","α-Halo Amides as Competent Latent Enolates: Direct Catalytic Asymmetric Mannich-Type Reaction.","Journal of the American Chemical Society","2017","139","24","8295","8301","10.1021/jacs.7b03291","","","1.54187","CuKα","","0.076","0.0664","","","0.1133","0.116","","","","","","1.095","","","","has coordinates","200663","2020-10-21","18:00:00",""
"4126209","38.2768","0.0018","38.2768","0.0018","34.6107","0.0016","90","","90","","120","","43915","4","90","2","90","2","","","","","","","","5","R 3 :H","R 3","146","","","","- C180 H566 Cu24 N84 O253 -","- C180 H204 Cu24 N84 O253 -","- C540 H612 Cu72 N252 O759 -","3","0.333333","","Mon, Marta; Ferrando-Soria, Jesús; Verdaguer, Michel; Train, Cyrille; Paillard, Charles; Dkhil, Brahim; Versace, Carlo; Bruno, Rosaria; Armentano, Donatella; Pardo, Emilio","Postsynthetic Approach for the Rational Design of Chiral Ferroelectric Metal-Organic Frameworks.","Journal of the American Chemical Society","2017","139","24","8098","8101","10.1021/jacs.7b03633","","","0.71073","MoKα","","0.0763","0.0706","","","0.201","0.2095","","","","","","1.092","","","","has coordinates","200658","2020-10-21","18:00:00",""
"4126210","11.381","0.0009","63.671","0.005","13.728","0.0011","90","","92.567","0.003","90","","9937.9","1.4","100","","100","","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C54 H72 Dy Fe3 Li3 O6 -","- C54 H72 Dy Fe3 Li3 O6 -","- C432 H576 Dy8 Fe24 Li24 O48 -","8","2","","Latendresse, Trevor Philip; Bhuvanesh, Nattamai S.; Nippe, Michael","Slow Magnetic Relaxation in a Lanthanide-[1]Metallocenophane Complex.","Journal of the American Chemical Society","2017","","","","","10.1021/jacs.7b01499","","x-ray","0.71073","MoKα","","0.0707","0.0589","","","0.0954","0.0979","","","","","","1.334","","","","has coordinates,has disorder","197740","2020-10-21","18:00:00",""
"4126211","11.375","0.01","7.357","0.006","11.576","0.009","90","","116.91","0.04","90","","863.9","1.3","296","2","296","2","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C18 H13 Br Cl F3 O2 -","- C18 H13 Br Cl F3 O2 -","- C36 H26 Br2 Cl2 F6 O4 -","2","1","","Holmes, Michael; Nguyen, Khoa D.; Schwartz, Leyah A.; Luong, Tom; Krische, Michael J.","Enantioselective Formation of CF3-Bearing All-Carbon Quaternary Stereocenters via C‒H Functionalization of Methanol: Iridium Catalyzed Allene Hydrohydroxymethylation","Journal of the American Chemical Society","2017","","","","","10.1021/jacs.7b04374","","","0.71073","MoKα","","0.1164","0.0602","","","0.1358","0.156","","","","","","0.981","","","","has coordinates","197741","2020-10-21","18:00:00",""
"4126212","24.3868","0.0011","13.2612","0.0006","24.971","0.001","90","","90.327","0.002","90","","8075.4","0.6","100","2","100","2","","","","","","","","4","P 1 21 1","P 2yb","4","EcoMOF-1","","","- C76 H127 Ca14 O76 -","- C76 H127 Ca14 O76 -","- C152 H254 Ca28 O152 -","2","1","","Yang, Jingjing; Trickett, Christopher A.; Alahmadi, Salman B.; Alshammari, Ahmad S.; Yaghi, Omar M.","Calcium l-Lactate Frameworks as Naturally Degradable Carriers for Pesticides.","Journal of the American Chemical Society","2017","139","24","8118","8121","10.1021/jacs.7b04542","","","0.7749","synchrotron","","0.0755","0.0621","","","0.1685","0.1772","","","","","","1.076","","","","has coordinates,has disorder","200660","2020-10-21","18:00:00",""
"4126213","8.78","0.006","9.429","0.004","14.132","0.007","104.7","0.1","92.47","0.02","109.332","0.012","1057.4","1.2","293","2","293","2","","","","","","","","4","P -1","-P 1","2","Marek116 (Fa-Guang)","","","- C24 H27 N O4 -","- C24 H27 N O4 -","- C48 H54 N2 O8 -","2","1","","Zhang, Fa-Guang; Marek, Ilan","Brook Rearrangement as Trigger for Carbene Generation: Synthesis of Stereodefined and Fully Substituted Cyclobutenes.","Journal of the American Chemical Society","2017","139","24","8364","8370","10.1021/jacs.7b04255","","","0.71073","MoKα","","0.0969","0.0853","","","0.1692","0.1743","","","","","","1.188","","","","has coordinates","200661","2020-10-21","18:00:00",""
"4126214","13.4591","0.0011","24.504","0.004","19.268","0.003","90","","98.583","0.008","90","","6283.5","1.5","100","2","100","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C130 H158 Co2 N18 Na4 O20 -","- C130 H158 Co2 N18 Na4 O20 -","- C260 H316 Co4 N36 Na8 O40 -","2","0.5","","Andrez, Julie; Guidal, Valentin; Scopelliti, Rosario; Pécaut, Jacques; Gambarelli, Serge; Mazzanti, Marinella","Ligand and Metal Based Multielectron Redox Chemistry of Cobalt Supported by Tetradentate Schiff Bases.","Journal of the American Chemical Society","2017","139","25","8628","8638","10.1021/jacs.7b03604","","","0.71073","MoKα","","0.1876","0.0983","","","0.1847","0.2343","","","","","","1.07","","","","has coordinates","199579","2020-10-21","18:00:00",""
"4126215","22.0036","0.0013","14.5281","0.0006","28.4397","0.0014","90","","94.568","0.005","90","","9062.5","0.8","140","2","140","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C90 H124 Co2 N8 Na4 O26 -","- C90 H124 Co2 N8 Na4 O26 -","- C360 H496 Co8 N32 Na16 O104 -","4","1","","Andrez, Julie; Guidal, Valentin; Scopelliti, Rosario; Pécaut, Jacques; Gambarelli, Serge; Mazzanti, Marinella","Ligand and Metal Based Multielectron Redox Chemistry of Cobalt Supported by Tetradentate Schiff Bases.","Journal of the American Chemical Society","2017","139","25","8628","8638","10.1021/jacs.7b03604","","x-ray","0.71073","MoKα","","0.2553","0.0972","","","0.1908","0.2549","","","","","","1.021","","","","has coordinates","199579","2020-10-21","18:00:00",""
"4126216","13.0057","0.0003","15.1594","0.0003","12.1103","0.0002","90","","99.971","0.002","90","","2351.59","0.08","150","2","150","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C26 H26 Co K N2 O5 -","- C26 H26 Co K N2 O5 -","- C104 H104 Co4 K4 N8 O20 -","4","1","","Andrez, Julie; Guidal, Valentin; Scopelliti, Rosario; Pécaut, Jacques; Gambarelli, Serge; Mazzanti, Marinella","Ligand and Metal Based Multielectron Redox Chemistry of Cobalt Supported by Tetradentate Schiff Bases.","Journal of the American Chemical Society","2017","139","25","8628","8638","10.1021/jacs.7b03604","","","0.71073","MoKα","","0.0548","0.0373","","","0.0796","0.0875","","","","","","1.031","","","","has coordinates,has disorder","199579","2020-10-21","18:00:00",""
"4126217","18.65","0.002","15.4996","0.0018","7.5174","0.0009","90","","93.098","0.011","90","","2169.9","0.4","150","0.1","150","0.1","","","","","","","","6","C 1 c 1","C -2yc","9","","","","- C24 H22 Co K N2 O3 -","- C24 H22 Co K N2 O3 -","- C96 H88 Co4 K4 N8 O12 -","4","1","","Andrez, Julie; Guidal, Valentin; Scopelliti, Rosario; Pécaut, Jacques; Gambarelli, Serge; Mazzanti, Marinella","Ligand and Metal Based Multielectron Redox Chemistry of Cobalt Supported by Tetradentate Schiff Bases.","Journal of the American Chemical Society","2017","139","25","8628","8638","10.1021/jacs.7b03604","","","0.71073","MoKα","","0.1016","0.0802","","","0.2113","0.2272","","","","","","1.087","","","","has coordinates,has disorder","199579","2020-10-21","18:00:00",""
"4126218","12.5032","0.0007","16.797","0.001","17.5538","0.001","78.622","0.003","82.793","0.003","69.513","0.003","3379.2","0.3","173","2","173","2","","","","","","","","4","P -1","-P 1","2","","","","- C74 H74 N2 O11 -","- C74 H74 N2 O11 -","- C148 H148 N4 O22 -","2","1","","Wang, Li-Li; Chen, Zhao; Liu, Wei-Er; Ke, Hua; Wang, Sheng-Hua; Jiang, Wei","Molecular Recognition and Chirality Sensing of Epoxides in Water Using Endo-Functionalized Molecular Tubes.","Journal of the American Chemical Society","2017","","","","","10.1021/jacs.7b05021","","","1.54178","CuKα","","0.1596","0.1223","","","0.3754","0.4025","","","","","","1.449","","","","has coordinates,has disorder","197853","2020-10-21","18:00:00",""
"4126219","15.6209","0.0009","15.3949","0.0009","16.1527","0.0009","90","","91.0621","0.0014","90","","3883.8","0.4","297","2","297","2","","","","","","","","6","P 1 21 1","P 2yb","4","Americium hexachloride","","","- C72 H59.19 Am Cl6 N0 P3 -","- C72 H59.16 Am Cl6 P3 -","- C144 H118.32 Am2 Cl12 P6 -","2","1","","Cross, Justin N.; Su, Jing; Batista, Enrique R.; Cary, Samantha K.; Evans, William J.; Kozimor, Stosh A.; Mocko, Veronika; Scott, Brian L.; Stein, Benjamin W.; Windorff, Cory J.; Yang, Ping","Covalency in Americium(III) Hexachloride.","Journal of the American Chemical Society","2017","","","","","10.1021/jacs.7b03755","","","0.71073","MoKα","","0.0643","0.0473","","","0.1193","0.1297","","","","","","0.826","","","","has coordinates","197854","2020-10-21","18:00:00",""
"4126220","16.4745","0.0013","10.3337","0.0008","18.463","0.002","90","","112.448","0.005","90","","2905","0.5","100","2","100","2","","","","","","","","6","C 1 2 1","C 2y","5","","","","- C29 H29 Cl F3 N2 O1.5 -","- C29 H29 Cl F3 N2 O1.5 -","- C116 H116 Cl4 F12 N8 O6 -","4","1","","Wang, Haoxuan; Yang, Jeffrey Chih-Yeh; Buchwald, Stephen L.","CuH-Catalyzed Regioselective Intramolecular Hydroamination for the Synthesis of Alkyl-Substituted Chiral Aziridines.","Journal of the American Chemical Society","2017","","","","","10.1021/jacs.7b04816","","","1.54178","CuKα","","0.0613","0.047","","","0.1278","0.1398","","","","","","1.089","","","","has coordinates,has disorder","197855","2020-10-21","18:00:00",""
"4126221","9.9381","0.001","6.3564","0.0006","15.9611","0.0016","90","","104.214","0.005","90","","977.4","0.17","190","","190.15","","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","(2,4-bis(dimethoxymethyl)cyclobutane-1,3-diyl)dibenzene","","- C22 H28 O4 -","- C22 H28 O4 -","- C44 H56 O8 -","2","0.5","","Oburn, Shalisa M.; Swenson, Dale C.; Mariappan, S. V. Santhana; MacGillivray, Leonard R.","Supramolecular Construction of an Aldehyde-Cyclobutane via the Solid State: Combining Reversible Imine Formation and Metal-Organic Self-Assembly.","Journal of the American Chemical Society","2017","","","","","10.1021/jacs.7b04420","","","0.71073","MoKα","","0.0455","0.0384","","","0.0994","0.1056","","","","","","1.086","","","","has coordinates","197856","2020-10-21","18:00:00",""
"4126222","6.7813","0.0019","7.436","0.002","22.969","0.006","90","","94.241","0.005","90","","1155.1","0.5","298","","298.15","","","","","","","","","3","P 1 21/n 1","-P 2yn","14","cinnamaldehyde N-(4-pyridyl)imine","","","- C14 H12 N2 -","- C14 H12 N2 -","- C56 H48 N8 -","4","1","","Oburn, Shalisa M.; Swenson, Dale C.; Mariappan, S. V. Santhana; MacGillivray, Leonard R.","Supramolecular Construction of an Aldehyde-Cyclobutane via the Solid State: Combining Reversible Imine Formation and Metal-Organic Self-Assembly.","Journal of the American Chemical Society","2017","","","","","10.1021/jacs.7b04420","","","0.71073","MoKα","","0.0615","0.041","","","0.0984","0.1087","","","","","","1.041","","","","has coordinates","197856","2020-10-21","18:00:00",""
"4126223","6.9846","0.0013","12.927","0.003","17.932","0.004","90","","100.07","0.005","90","","1594.1","0.6","296","2","296.15","","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C16 H12 Ag F3 N2 O2 -","- C16 H12 Ag F3 N2 O2 -","- C64 H48 Ag4 F12 N8 O8 -","4","1","","Oburn, Shalisa M.; Swenson, Dale C.; Mariappan, S. V. Santhana; MacGillivray, Leonard R.","Supramolecular Construction of an Aldehyde-Cyclobutane via the Solid State: Combining Reversible Imine Formation and Metal-Organic Self-Assembly.","Journal of the American Chemical Society","2017","","","","","10.1021/jacs.7b04420","","","0.71073","MoKα","","0.1292","0.0533","","","0.0968","0.1209","","","","","","1.008","","","","has coordinates","197856","2020-10-21","18:00:00",""
"4126224","14.5045","0.0008","32.977","0.002","20.6961","0.0011","90","","90","","90","","9899.3","1","150","1","150","1","","","","","","","","7","P c a 21","P 2c -2ac","29","mke005","","","- C44 H51 Cu2 F6 N8 O8.5 S2 -","- C44 H51 Cu2 F6 N8 O8.5 S2 -","- C352 H408 Cu16 F48 N64 O68 S16 -","8","2","","Koepke, Sara J.; Light, Kenneth M.; VanNatta, Peter E.; Wiley, Keaton M.; Kieber-Emmons, Matthew T","Electrocatalytic Water Oxidation by a Homogeneous Copper Catalyst Disfavors Single-Site Mechanisms.","Journal of the American Chemical Society","2017","139","25","8586","8600","10.1021/jacs.7b03278","","","0.71073","MoKα","","0.0482","0.0377","","","0.0912","0.0959","","","","","","1.039","","","","has coordinates","251896","2020-10-21","18:00:00",""
"4126225","10.6716","0.00019","11.1383","0.0002","34.5954","0.0006","90","","90","","90","","4112.13","0.13","90","","90","","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C20 H27 N O6 -","- C20 H27 N O6 -","- C160 H216 N8 O48 -","8","2","","Bartlett, Samuel L.; Sohtome, Yoshihiro; Hashizume, Daisuke; White, Peter S.; Sawamura, Miki; Johnson, Jeffrey S.; Sodeoka, Mikiko","Catalytic Enantioselective [3 + 2] Cycloaddition of α-Keto Ester Enolates and Nitrile Oxides.","Journal of the American Chemical Society","2017","139","25","8661","8666","10.1021/jacs.7b03782","","","1.54184","CuKα","","0.0351","0.0338","","","0.0725","0.073","","","","","","1.087","","","","has coordinates","200670","2020-10-21","18:00:00",""
"4126226","7.705","0.005","17.658","0.014","6.947","0.005","90","","90.03","0.03","90","","945.2","1.2","238","2","238","2","","","","","","","","5","C 2/m 1 1","-C 2x","12","","","","- C4 H8 Br3 Cd N -","- C4 H8 Br3 Cd N -","- C16 H32 Br12 Cd4 N4 -","4","0.5","","Li, Peng-Fei; Liao, Wei-Qiang; Tang, Yuan-Yuan; Ye, Heng-Yun; Zhang, Yi; Xiong, Ren-Gen","Unprecedented Ferroelectric-Antiferroelectric-Paraelectric Phase Transitions Discovered in an Organic-Inorganic Hybrid Perovskite.","Journal of the American Chemical Society","2017","","","","","10.1021/jacs.7b04693","","","0.71073","MoKα","","0.0336","0.0287","","","0.069","0.0705","","","","","","1.098","","","","has coordinates","197859","2020-10-21","18:00:00",""
"4126227","10.3814","0.0004","8.5313","0.0003","30.7969","0.0011","90","","99.6603","0.0005","90","","2688.91","0.17","200","2","200","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C26 H47 B O Si -","- C26 H47 B O Si -","- C104 H188 B4 O4 Si4 -","4","1","","Sanzone, Jillian R.; Hu, Chunhua T.; Woerpel, K. A.","Uncatalyzed Carboboration of Seven-Membered-Ring trans-Alkenes: Formation of Air-Stable Trialkylboranes.","Journal of the American Chemical Society","2017","139","25","8404","8407","10.1021/jacs.7b03986","","","0.71073","MoKα","","0.0508","0.0434","","","0.123","0.1292","","","","","","1.067","","","","has coordinates,has disorder","200668","2020-10-21","18:00:00",""
"4126228","9.1353","0.0011","14.1491","0.0017","11.2404","0.0013","90","","108.677","0.002","90","","1376.4","0.3","100","2","100","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C28 H49 B O Si -","- C28 H49 B O Si -","- C56 H98 B2 O2 Si2 -","2","1","","Sanzone, Jillian R.; Hu, Chunhua T.; Woerpel, K. A.","Uncatalyzed Carboboration of Seven-Membered-Ring trans-Alkenes: Formation of Air-Stable Trialkylboranes.","Journal of the American Chemical Society","2017","139","25","8404","8407","10.1021/jacs.7b03986","","","0.71073","MoKα","","0.0553","0.0454","","","0.0981","0.1019","","","","","","1.009","","","","has coordinates","200668","2020-10-21","18:00:00",""
"4126229","19.0517","0.0007","13.3595","0.0004","15.4892","0.0006","90","","90","","90","","3942.3","0.2","100","2","100","2","","","","","","","","6","P n a 21","P 2c -2n","33","","","","- C8 H20 Cl N O3 Xe -","- C8 H20 Cl N O3 Xe -","- C96 H240 Cl12 N12 O36 Xe12 -","12","3","","Goettel, James T.; Haensch, Veit; Schrobilgen, Gary J.","Stable Chloro- and Bromoxenate Cage Anions; [X3(XeO3)3](3-) and [X4(XeO3)4](4-) (X = Cl or Br).","Journal of the American Chemical Society","2017","","","","","10.1021/jacs.7b04067","","","0.71073","MoKα","","0.0706","0.0454","","","0.0885","0.0979","","","","","","1.051","","","","has coordinates","254024","2020-10-21","18:00:00",""
"4126230","9.3724","0.0006","11.6016","0.0007","18.1066","0.0011","90","","100.109","0.001","90","","1938.3","0.2","113","2","113","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C4 H12 Br N O3 Xe -","- C4 H12 Br N O3 Xe -","- C32 H96 Br8 N8 O24 Xe8 -","8","2","","Goettel, James T.; Haensch, Veit; Schrobilgen, Gary J.","Stable Chloro- and Bromoxenate Cage Anions; [X3(XeO3)3](3-) and [X4(XeO3)4](4-) (X = Cl or Br).","Journal of the American Chemical Society","2017","","","","","10.1021/jacs.7b04067","","","0.71073","MoKα","","0.0376","0.0254","","","0.0526","0.0553","","","","","","0.987","","","","has coordinates","270822","2021-11-23","08:36:15",""
"4126231","9.2809","0.001","24.198","0.003","11.1739","0.0007","90","","104.854","0.004","90","","2425.6","0.4","150","2","150","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C20 H31 N O13 -","- C20 H31 N O13 -","- C80 H124 N4 O52 -","4","2","","Cecioni, Samy; Vocadlo, David J.","Carbohydrate Bis-acetal-Based Substrates as Tunable Fluorescence-Quenched Probes for Monitoring exo-Glycosidase Activity.","Journal of the American Chemical Society","2017","139","25","8392","8395","10.1021/jacs.7b01948","","","1.54178","CuKα","","0.03","0.0287","","","0.0726","0.0736","","","","","","1.034","","","","has coordinates","200667","2020-10-21","18:00:00",""
"4126232","9.1328","0.0005","22.1807","0.0012","26.2782","0.0014","90","","90","","90","","5323.2","0.5","150","2","150","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C20 H30 Br N O12 -","- C20 H30 Br N O12 -","- C160 H240 Br8 N8 O96 -","8","2","","Cecioni, Samy; Vocadlo, David J.","Carbohydrate Bis-acetal-Based Substrates as Tunable Fluorescence-Quenched Probes for Monitoring exo-Glycosidase Activity.","Journal of the American Chemical Society","2017","139","25","8392","8395","10.1021/jacs.7b01948","","","1.54178","CuKα","","0.0855","0.08","","","0.2241","0.2309","","","","","","1.147","","","","has coordinates,has disorder","200667","2020-10-21","18:00:00",""
"4126233","19.261","0.002","25.28","0.003","32.387","0.004","90","","104.025","0.002","90","","15300","3","123","2","123","2","","","","","","","","6","C 1 2 1","C 2y","5","(R)-BINSA-trimer potasium magnesium salt","","","- C120 H108 K3.5 Mg1.5 O21.5 S6 -","- C120 H108 K3.5 Mg1.5 O21.5 S6 -","- C480 H432 K14 Mg6 O86 S24 -","4","1","","Hatano, Manabu; Nishikawa, Keisuke; Ishihara, Kazuaki","Enantioselective Cycloaddition of Styrenes with Aldimines Catalyzed by a Chiral Magnesium Potassium Binaphthyldisulfonate Cluster as a Chiral Brønsted Acid Catalyst.","Journal of the American Chemical Society","2017","","","","","10.1021/jacs.7b04795","","","0.71075","MoKα","","0.1513","0.1095","","","0.2703","0.2849","","","","","","1.637","","","","has coordinates","198013","2020-10-21","18:00:00",""
"4126234","19.657","0.003","7.8904","0.0013","20.662","0.003","90","","100.247","0.003","90","","3153.6","0.8","123","2","123","2","","","","","","","","5","C 1 2 1","C 2y","5","(4S,5R,6R)-4-(2-iodophenyl)-5-methyl-6-phenyl-1,3-oxazinan-2-one","","","- C17 H16 I N O2 -","- C17 H16 I N O2 -","- C136 H128 I8 N8 O16 -","8","2","","Hatano, Manabu; Nishikawa, Keisuke; Ishihara, Kazuaki","Enantioselective Cycloaddition of Styrenes with Aldimines Catalyzed by a Chiral Magnesium Potassium Binaphthyldisulfonate Cluster as a Chiral Brønsted Acid Catalyst.","Journal of the American Chemical Society","2017","","","","","10.1021/jacs.7b04795","","","0.71075","MoKα","","0.0422","0.0414","","","0.1069","0.1072","","","","","","1.251","","","","has coordinates","255262","2020-10-21","18:00:00",""
"4126235","15.238","0.006","3.9998","0.0007","18.359","0.006","90","","106.14","0.03","90","","1074.9","0.6","293","2","293","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C14 H9 N O S -","- C14 H9 N O S -","- C56 H36 N4 O4 S4 -","4","1","","Nitti, Andrea; Bianchi, Gabriele; Po, Riccardo; Swager, Timothy M.; Pasini, Dario","Domino Direct Arylation and Cross-Aldol for Rapid Construction of Extended Polycyclic π-Scaffolds.","Journal of the American Chemical Society","2017","","","","","10.1021/jacs.7b03412","","","0.7107","MoKα","","0.1537","0.0959","","","0.1684","0.2072","","","","","","1.173","","","","has coordinates","198046","2020-10-21","18:00:00",""
"4126236","15.6525","0.0017","20.125","0.003","21.372","0.002","89.65","0.017","69.675","0.016","89.297","0.018","6312.7","1.5","93","2","93","2","","","","","","","","6","P -1","-P 1","2","","","","- C134 H150 Cl9 N8 Ni2 O -","- C134 H150 Cl9 N8 Ni2 O -","- C268 H300 Cl18 N16 Ni4 O2 -","2","1","","Fukui, Norihito; Kim, Taeyeon; Kim, Dongho; Osuka, Atsuhiro","Porphyrin Arch-Tapes: Synthesis, Contorted Structures, and Full Conjugation.","Journal of the American Chemical Society","2017","139","26","9075","9088","10.1021/jacs.7b05332","","","1.54187","CuKα","","0.072","0.06","","","0.169","0.1776","","","","","","1.073","","","","has coordinates,has disorder","199578","2020-10-21","18:00:00",""
"4126237","8.007","0.002","12.905","0.003","7.3562","0.0018","90","","113.188","0.004","90","","698.7","0.3","100","2","100","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","1-CF2H","","","- C7 H5 F2 N O2 -","- C7 H5 F2 N O2 -","- C28 H20 F8 N4 O8 -","4","1","","Sessler, Chanan D.; Rahm, Martin; Becker, Sabine; Goldberg, Jacob M.; Wang, Fang; Lippard, Stephen J.","CF2H, a Hydrogen Bond Donor.","Journal of the American Chemical Society","2017","","","","","10.1021/jacs.7b04457","","","0.71073","MoKα","","0.0541","0.0407","","","0.1197","0.1279","","","","","","1.089","","","","has coordinates","198170","2020-10-21","18:00:00",""
"4126238","6.3511","0.0006","14.3305","0.0014","6.6757","0.0006","90","","103.348","0.002","90","","591.17","0.1","100","2","100","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","1-OH","","","- C6 H5 N O3 -","- C6 H5 N O3 -","- C24 H20 N4 O12 -","4","1","","Sessler, Chanan D.; Rahm, Martin; Becker, Sabine; Goldberg, Jacob M.; Wang, Fang; Lippard, Stephen J.","CF2H, a Hydrogen Bond Donor.","Journal of the American Chemical Society","2017","","","","","10.1021/jacs.7b04457","","","0.71073","MoKα","","0.0445","0.0363","","","0.0981","0.1045","","","","","","1.078","","","","has coordinates","198170","2020-10-21","18:00:00",""
"4126239","7.962","0.002","7.097","0.002","6.1966","0.0018","90","","92.557","0.004","90","","349.8","0.17","100","2","100","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","2-CF2H","","","- C7 H5 Br F2 -","- C7 H5 Br F2 -","- C14 H10 Br2 F4 -","2","0.5","","Sessler, Chanan D.; Rahm, Martin; Becker, Sabine; Goldberg, Jacob M.; Wang, Fang; Lippard, Stephen J.","CF2H, a Hydrogen Bond Donor.","Journal of the American Chemical Society","2017","","","","","10.1021/jacs.7b04457","","","0.71073","MoKα","","0.0824","0.0578","","","0.1367","0.1549","","","","","","1.125","","","","has coordinates,has disorder","198170","2020-10-21","18:00:00",""
"4126240","14.4147","0.0011","10.679","0.0008","7.5441","0.0006","90","","103.714","0.001","90","","1128.19","0.15","100","2","100","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","5-CF2H","","","- C14 H12 F2 O -","- C14 H12 F2 O -","- C56 H48 F8 O4 -","4","1","","Sessler, Chanan D.; Rahm, Martin; Becker, Sabine; Goldberg, Jacob M.; Wang, Fang; Lippard, Stephen J.","CF2H, a Hydrogen Bond Donor.","Journal of the American Chemical Society","2017","","","","","10.1021/jacs.7b04457","","","0.71073","MoKα","","0.0433","0.0385","","","0.1015","0.1064","","","","","","1.037","","","","has coordinates","198170","2020-10-21","18:00:00",""
"4126241","25.126","0.004","18.28","0.003","15.476","0.003","90","","118.422","0.004","90","","6251.4","1.9","100","2","100","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C32 H42.5 Br0.5 Cl0.5 Mo N4.5 -","- C32 H42.5 Br0.5 Cl0.5 Mo N4.5 -","- C256 H340 Br4 Cl4 Mo8 N36 -","8","1","","Wickramasinghe, Lasantha A.; Schrock, Richard R.; Müller, Peter; Ogawa, Takaya","Reduction of Dinitrogen to Ammonia Catalyzed by Molybdenum Diamido Complexes.","Journal of the American Chemical Society","2017","","","","","10.1021/jacs.7b04800","","","0.71073","MoKα","","0.0881","0.0495","","","0.1121","0.1296","","","","","","1.021","","","","has coordinates,has disorder","198171","2020-10-21","18:00:00",""
"4126242","17.0362","0.0015","19.2201","0.0017","23.935","0.002","96.1815","0.0015","99.3959","0.0015","90.7841","0.0015","7683.2","1.2","100","2","100","2","","","","","","","","6","P -1","-P 1","2","","","","- C39 H46 F5 Mo N4 O1.5 -","- C39 H46 F5 Mo N4 O1.5 -","- C312 H368 F40 Mo8 N32 O12 -","8","4","","Wickramasinghe, Lasantha A.; Schrock, Richard R.; Müller, Peter; Ogawa, Takaya","Reduction of Dinitrogen to Ammonia Catalyzed by Molybdenum Diamido Complexes.","Journal of the American Chemical Society","2017","","","","","10.1021/jacs.7b04800","","","0.71073","MoKα","","0.0964","0.0509","","","0.1109","0.1321","","","","","","1.02","","","","has coordinates,has disorder","198171","2020-10-21","18:00:00",""
"4126243","13.327","0.002","13.939","0.002","15.701","0.002","88.041","0.002","76.238","0.002","61.528","0.002","2479.6","0.6","100","2","100","2","","","","","","","","7","P -1","-P 1","2","","","","- C53 H50 B F15 Mo N4 O -","- C53 H50 B F15 Mo N4 O -","- C106 H100 B2 F30 Mo2 N8 O2 -","2","1","","Wickramasinghe, Lasantha A.; Schrock, Richard R.; Müller, Peter; Ogawa, Takaya","Reduction of Dinitrogen to Ammonia Catalyzed by Molybdenum Diamido Complexes.","Journal of the American Chemical Society","2017","","","","","10.1021/jacs.7b04800","","","0.71073","MoKα","","0.0522","0.0388","","","0.0834","0.0893","","","","","","1.043","","","","has coordinates,has disorder","198171","2020-10-21","18:00:00",""
"4126244","9.243848","0.000019","9.243848","0.000019","9.243848","0.000019","90","","90","","90","","789.875","0.003","300","","300","","","","","","","","","5","P 21 3","P 2ac 2ab 3","198","sodium magnesium nitrodophosphate","","","- Mg2 N Na2 O9 P3 -","- Mg2 N Na2 O9 P3 -","- Mg8 N4 Na8 O36 P12 -","4","0.333333","","Liu, Jue; Whitfield, Pamela S.; Saccomanno, Michael R.; Bo, Shou-Hang; Hu, Enyuan; Yu, Xiqian; Bai, Jianming; Grey, Clare P.; Yang, Xiao-Qing; Khalifah, Peter G.","In Situ Neutron Diffraction Studies of the Ion Exchange Synthesis Mechanism of Li2Mg2P3O9N: Evidence for a Hidden Phase Transition.","Journal of the American Chemical Society","2017","","","","","10.1021/jacs.7b02323","powder diffraction","","0.77878","synchrotron","","","","","","","","","","","","","","","","","has coordinates","198205","2020-10-21","18:00:00",""
"4126245","5.55621","0.0001","26.2064","0.0005","8.18405","0.00015","90","","92.4361","0.0008","90","","1190.59","0.04","100","2","100","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C13 H15 F2 N O -","- C13 H15 F2 N O -","- C52 H60 F8 N4 O4 -","4","2","","Banik, Steven M.; Mennie, Katrina; Jacobsen, Eric N.","Catalytic 1,3-Difunctionalization via Oxidative C-C Bond Activation.","Journal of the American Chemical Society","2017","","","","","10.1021/jacs.7b05160","","","1.54178","CuKα","","0.0334","0.0328","","","0.0951","0.0961","","","","","","1.071","","","","has coordinates","255262","2020-10-21","18:00:00",""
"4126246","11.5773","0.0011","19.2314","0.0019","23.096","0.002","76.137","0.002","85.509","0.002","89.792","0.002","4976.5","0.8","100","2","100","2","","","","","","","","6","P -1","-P 1","2","","[iPr2NNF6]Cu-OtBu","","- C33 H44 Cu F6 N2 O -","- C33 H44 Cu F6 N2 O -","- C198 H264 Cu6 F36 N12 O6 -","6","3","","Kundu, Subrata; Greene, Christine; Williams, Kamille D.; Salvador, Tolani K.; Bertke, Jeffery A.; Cundari, Thomas R.; Warren, Timothy H.","Three-Coordinate Copper(II) Aryls: Key Intermediates in C-O Bond Formation.","Journal of the American Chemical Society","2017","139","27","9112","9115","10.1021/jacs.7b04046","","","0.71073","MoKα","","0.0817","0.0637","","","0.1577","0.1685","","","","","","1.065","","","","has coordinates,has disorder","200666","2020-10-21","18:00:00",""
"4126247","8.1196","0.0009","11.6482","0.0013","14.8107","0.0017","77.997","0.002","86.159","0.002","75.192","0.002","1324.5","0.3","100","2","100","2","","","","","","","","6","P -1","-P 1","2","","[Me2NNF6]CuONC6F5","","- C27 H19 Cu F11 N3 O -","- C27 H19 Cu F11 N3 O -","- C54 H38 Cu2 F22 N6 O2 -","2","1","","Kundu, Subrata; Greene, Christine; Williams, Kamille D.; Salvador, Tolani K.; Bertke, Jeffery A.; Cundari, Thomas R.; Warren, Timothy H.","Three-Coordinate Copper(II) Aryls: Key Intermediates in C-O Bond Formation.","Journal of the American Chemical Society","2017","139","27","9112","9115","10.1021/jacs.7b04046","","","0.71073","MoKα","","0.0459","0.0363","","","0.0905","0.0942","","","","","","1.044","","","","has coordinates","200666","2020-10-21","18:00:00",""
"4126248","11.6396","0.0006","25.554","0.0015","12.6371","0.0008","90","","115.688","0.003","90","","3387.3","0.4","100","2","100","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","{[Me2NNF6]Cu-C6F5}{CoCp2}","","- C37 H29 Co Cu F11 N2 -","- C37 H29 Co Cu F11 N2 -","- C148 H116 Co4 Cu4 F44 N8 -","4","1","","Kundu, Subrata; Greene, Christine; Williams, Kamille D.; Salvador, Tolani K.; Bertke, Jeffery A.; Cundari, Thomas R.; Warren, Timothy H.","Three-Coordinate Copper(II) Aryls: Key Intermediates in C-O Bond Formation.","Journal of the American Chemical Society","2017","139","27","9112","9115","10.1021/jacs.7b04046","","","0.71073","MoKα","","0.0569","0.0349","","","0.068","0.0743","","","","","","1.033","","","","has coordinates","200666","2020-10-21","18:00:00",""
"4126249","6.4316","0.0005","8.2971","0.0006","11.1074","0.0008","90","","92.841","0.002","90","","592","0.08","100","2","100","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C11 H12 N2 O5 -","- C11 H12 N2 O5 -","- C22 H24 N4 O10 -","2","1","","Jiang, Huiling; Lang, Kai; Lu, Hongjian; Wojtas, Lukasz; Zhang, X. Peter","Asymmetric Radical Bicyclization of Allyl Azidoformates via Cobalt(II)-Based Metalloradical Catalysis.","Journal of the American Chemical Society","2017","","","","","10.1021/jacs.7b05778","","","1.54178","CuKα","","0.0257","0.0256","","","0.0706","0.0707","","","","","","1.025","","","","has coordinates","198260","2020-10-21","18:00:00",""
"4126250","20.6802","0.0014","23.9248","0.0017","36.653","0.003","91.789","0.002","98.467","0.002","108.197","0.002","16982","2","150","2","150","2","","","","","","","","6","P -1","-P 1","2","","","","- C347.14 H359.61 Cl5.52 F16 N48 O48 -","- C347.132 H358.61 Cl5.522 F16 N48 O48 -","- C694.264 H717.22 Cl11.044 F32 N96 O96 -","2","1","","Wang, Xiang; Wicher, Barbara; Ferrand, Yann; Huc, Ivan","Orchestrating Directional Molecular Motions: Kinetically Controlled Supramolecular Pathways of a Helical Host on Rodlike Guests.","Journal of the American Chemical Society","2017","","","","","10.1021/jacs.7b04884","","","1.54178","CuKα","","0.1915","0.1293","","","0.3554","0.3913","","","","","","1.296","","","","has coordinates,has disorder","198261","2020-10-21","18:00:00",""
"4126251","22.2888","0.0016","22.954","0.0016","33.748","0.002","81.019","0.002","80.632","0.002","73.048","0.002","16187.2","1.9","150","2","150","2","","","","","","","","6","P -1","-P 1","2","","","","- C317.87 H331.92 Cl13.53 F16 N48 O46.97 -","- C317.862 H329.998 Cl13.53 F16 N48 O46.964 -","- C635.724 H659.996 Cl27.06 F32 N96 O93.928 -","2","1","","Wang, Xiang; Wicher, Barbara; Ferrand, Yann; Huc, Ivan","Orchestrating Directional Molecular Motions: Kinetically Controlled Supramolecular Pathways of a Helical Host on Rodlike Guests.","Journal of the American Chemical Society","2017","","","","","10.1021/jacs.7b04884","","","1.54178","CuKα","","0.1868","0.145","","","0.3694","0.3848","","","","","","2.206","","","","has coordinates,has disorder","198262","2020-10-21","18:00:00",""
"4126252","36.365","0.007","49.686","0.01","46.097","0.009","90","","105.91","0.03","90","","80099","3","100","2","100","2","","","","","","","","6","P 1 c 1","P -2yc","7","","","","- C613 H632.66 Cl36 F32 N96 O96.33 -","- C594.004 H535.504 Cl36.012 F32 N96 O96.3355 -","- C2376.02 H2142.02 Cl144.048 F128 N384 O385.342 -","4","2","","Wang, Xiang; Wicher, Barbara; Ferrand, Yann; Huc, Ivan","Orchestrating Directional Molecular Motions: Kinetically Controlled Supramolecular Pathways of a Helical Host on Rodlike Guests.","Journal of the American Chemical Society","2017","","","","","10.1021/jacs.7b04884","","","0.85","synchrotron","","0.2018","0.1607","","","0.392","0.4326","","","","","","1.605","","","","has coordinates,has disorder","198263","2020-10-21","18:00:00",""
"4126253","18.0453","0.0008","18.18","0.0008","32.5984","0.0014","90","","95.864","0.003","90","","10638.4","0.8","240","2","240","","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C60.73 H47.05 Dy4 N9.58 O24 -","- C60.74 H47.0396 Dy4 N9.58 O24 -","- C242.96 H188.158 Dy16 N38.32 O96 -","4","1","","Luo, Tian-Yi; Liu, Chong; Eliseeva, Svetlana V.; Muldoon, Patrick Flynn; Petoud, Stephane; Rosi, Nathaniel L.","Rare Earth pcu MOF Platform Based on RE4(μ3-OH)4(COO)62+ Clusters: Rational Design, Directed Synthesis, and Deliberate Tuning of Excitation Wavelengths.","Journal of the American Chemical Society","2017","","","","","10.1021/jacs.7b04532","","x-ray","1.54178","CuKα","","0.1303","0.1099","","","0.2814","0.2939","","","","","","1.144","","","","has coordinates,has disorder","198284","2020-10-21","18:00:00",""
"4126254","23.6058","0.0007","22.2824","0.0007","37.1223","0.001","90","","90.222","0.002","90","","19526","1","240","","240","","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C81.68 H53.92 N8.56 O24 Yb4 -","- C81.68 H53.92 N8.56 O24 Yb4 -","- C326.72 H215.68 N34.24 O96 Yb16 -","4","1","","Luo, Tian-Yi; Liu, Chong; Eliseeva, Svetlana V.; Muldoon, Patrick Flynn; Petoud, Stephane; Rosi, Nathaniel L.","Rare Earth pcu MOF Platform Based on RE4(μ3-OH)4(COO)62+ Clusters: Rational Design, Directed Synthesis, and Deliberate Tuning of Excitation Wavelengths.","Journal of the American Chemical Society","2017","","","","","10.1021/jacs.7b04532","","x-ray","1.54178","CuKα","","0.228","0.1394","","","0.3169","0.3604","","","","","","1.112","","","","has coordinates,has disorder","198285","2020-10-21","18:00:00",""
"4126255","27.86","0.003","27.86","0.003","27.86","0.003","90","","90","","90","","21624","4","240","","240.01","","","","","","","","","5","F m -3 m","-F 4 2 3","225","","","","- C48 H12 Gd8 N6 O49 -","- C48 H12 Gd8 N6 O48.9992 -","- C192 H48 Gd32 N24 O195.997 -","4","0.0208333","","Luo, Tian-Yi; Liu, Chong; Eliseeva, Svetlana V.; Muldoon, Patrick Flynn; Petoud, Stephane; Rosi, Nathaniel L.","Rare Earth pcu MOF Platform Based on RE4(μ3-OH)4(COO)62+ Clusters: Rational Design, Directed Synthesis, and Deliberate Tuning of Excitation Wavelengths.","Journal of the American Chemical Society","2017","","","","","10.1021/jacs.7b04532","","x-ray","1.54178","CuKα","","0.085","0.0668","","","0.2306","0.255","","","","","","1.164","","","","has coordinates","198286","2020-10-21","18:00:00",""
"4126256","11.312","0.006","10.407","0.005","22.323","0.011","90","","91.837","0.009","90","","2627","2","100","2","100","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C19 H27 F12 Fe N8 P2 -","- C19 H27 F12 Fe N8 P2 -","- C76 H108 F48 Fe4 N32 P8 -","4","1","","Sabenya, Gerard; Lazaro, Laura; Gamba, Ilaria; Martin-Diaconescu, Vlad; Andris, Erik; Weyhermüller, Thomas; Neese, Frank; Roithova, Jana; Bill, Eckhard; Lloret-Fillol, Julio; Costas, Miquel","Generation, spectroscopic and chemical characterization of an octahedral iron (V) - nitrido species with a neutral ligand platform.","Journal of the American Chemical Society","2017","","","","","10.1021/jacs.7b00429","","","0.71073","MoKα","","0.1589","0.0692","","","0.1558","0.1961","","","","","","0.949","","","","has coordinates","198287","2020-10-21","18:00:00",""
"4126257","16.654","0.005","16.654","0.005","19.604","0.011","90","","90","","90","","5437","4","298","2","298","2","","","","","","","","6","I 4/m","-I 4","87","Zn2(PdTCPP)","","","- C48 H28 N4 O10 Pd Zn2 -","- C48 H28 N4 O10 Pd Zn2 -","- C96 H56 N8 O20 Pd2 Zn4 -","2","0.125","","Ding, Yanjun; Chen, Ying-Pin; Zhang, Xinlei; Chen, Liang; Dong, Zhaohui; Jiang, Hai-Long; Xu, Hangxun; Zhou, Hong-Cai","Controlled Intercalation and Chemical Exfoliation of Layered Metal-Organic Frameworks Using a Chemically Labile Intercalating Agent.","Journal of the American Chemical Society","2017","","","","","10.1021/jacs.7b04829","","","0.71073","MoKα","","0.0773","0.0488","","","0.1127","0.1174","","","","","","1.028","","","","has coordinates","198318","2020-10-21","18:00:00",""
"4126258","16.677","0.004","16.673","0.004","45.237","0.011","90","","90","","90","","12578","5","273","2","273","2","","","","","","","","6","A m m m","-A 2 2","65","","","","- C48 H24 N6 O8 Pd Zn2 -","- C48 H24 N6 O8 Pd Zn2 -","- C96 H48 N12 O16 Pd2 Zn4 -","2","0.125","","Ding, Yanjun; Chen, Ying-Pin; Zhang, Xinlei; Chen, Liang; Dong, Zhaohui; Jiang, Hai-Long; Xu, Hangxun; Zhou, Hong-Cai","Controlled Intercalation and Chemical Exfoliation of Layered Metal-Organic Frameworks Using a Chemically Labile Intercalating Agent.","Journal of the American Chemical Society","2017","","","","","10.1021/jacs.7b04829","","","0.71073","MoKα","","0.1403","0.0973","","","0.1938","0.2083","","","","","","1","","","","has coordinates","198319","2020-10-21","18:00:00",""
"4126259","17.3351","0.0005","25.9113","0.0007","5.2088","0.0001","90","","90","","90","","2339.66","0.1","100","2","100","2","","","","","","","","3","P n m a","-P 2ac 2n","62","","","","- C36 H23 F -","- C36 H23 F -","- C144 H92 F4 -","4","0.5","","Kistemaker, Jos C. M.; Stacko, Peter; Roke, Diederik; Wolters, Alexander Thomas; Heideman, G. Henrieke; Chang, Mu-Chieh; van der Meulen, Pieter; Visser, Johan; Otten, Edwin; Feringa, Ben L.","Third Generation Light-Driven Symmetric Molecular Motors.","Journal of the American Chemical Society","2017","","","","","10.1021/jacs.7b04412","","","0.71073","MoKα","","0.0463","0.037","","","0.0884","0.0938","","","","","","1.03","","","","has coordinates","198491","2020-10-21","18:00:00",""
"4126260","9.5341","0.0007","14.1606","0.0011","29.111","0.002","90","","90","","90","","3930.2","0.5","100","2","100","2","","","","","","","","2","P 21 21 21","P 2ac 2ab","19","","","","- C51 H46 -","- C51 H46 -","- C204 H184 -","4","1","","Kistemaker, Jos C. M.; Stacko, Peter; Roke, Diederik; Wolters, Alexander Thomas; Heideman, G. Henrieke; Chang, Mu-Chieh; van der Meulen, Pieter; Visser, Johan; Otten, Edwin; Feringa, Ben L.","Third Generation Light-Driven Symmetric Molecular Motors.","Journal of the American Chemical Society","2017","","","","","10.1021/jacs.7b04412","","","0.71073","MoKα","","0.0976","0.0838","","","0.2264","0.2374","","","","","","1.104","","","","has coordinates","198491","2020-10-21","18:00:00",""
"4126261","9.6932","0.0006","12.9292","0.0007","27.7082","0.0016","89.4324","0.0017","89.2885","0.0018","73.5182","0.0017","3329.5","0.3","100","2","100","2","","","","","","","","2","P -1","-P 1","2","","","","- C47 H46 -","- C47 H46 -","- C188 H184 -","4","2","","Kistemaker, Jos C. M.; Stacko, Peter; Roke, Diederik; Wolters, Alexander Thomas; Heideman, G. Henrieke; Chang, Mu-Chieh; van der Meulen, Pieter; Visser, Johan; Otten, Edwin; Feringa, Ben L.","Third Generation Light-Driven Symmetric Molecular Motors.","Journal of the American Chemical Society","2017","","","","","10.1021/jacs.7b04412","","","0.71073","MoKα","","0.114","0.0956","","","0.1855","0.1924","","","","","","1.209","","","","has coordinates,has disorder","198491","2020-10-21","18:00:00",""
"4126262","9.4703","0.0013","12.0235","0.0018","13.838","0.002","103.629","0.004","96.792","0.004","91.837","0.004","1517.6","0.4","200","2","200","2","","","","","","","","2","P -1","-P 1","2","","","","- C42 H28 -","- C42 H28 -","- C84 H56 -","2","1","","Kistemaker, Jos C. M.; Stacko, Peter; Roke, Diederik; Wolters, Alexander Thomas; Heideman, G. Henrieke; Chang, Mu-Chieh; van der Meulen, Pieter; Visser, Johan; Otten, Edwin; Feringa, Ben L.","Third Generation Light-Driven Symmetric Molecular Motors.","Journal of the American Chemical Society","2017","","","","","10.1021/jacs.7b04412","","","0.71073","MoKα","","0.0961","0.0798","","","0.1753","0.1848","","","","","","1.196","","","","has coordinates","198491","2020-10-21","18:00:00",""
"4126263","11.0784","0.0005","11.921","0.0005","17.2179","0.0006","78.986","0.003","81.048","0.003","66.372","0.004","2036.98","0.16","93","2","93","2","","","","","","","","6","P -1","-P 1","2","","","","- C34 H48 Cl6 Ir2 N4 O6 -","- C34 H48 Cl6 Ir2 N4 O6 -","- C68 H96 Cl12 Ir4 N8 O12 -","2","1","","Sinha, Shashi Bhushan; Shopov, Dimitar Y.; Sharninghausen, Liam S.; Stein, Christopher J.; Mercado, Brandon Q.; Balcells, David; Pedersen, Thomas Bondo; Reiher, Markus; Brudvig, Gary W.; Crabtree, Robert H.","Redox Activity of Oxo-Bridged Iridium Dimers in an N,O-Donor Environment: Characterization of Remarkably Stable Ir(IV,V) Complexes.","Journal of the American Chemical Society","2017","","","","","10.1021/jacs.7b04874","","","1.54184","CuKα","","0.0244","0.0215","","","0.0523","0.0542","","","","","","1.039","","","","has coordinates","198548","2020-10-21","18:00:00",""
"4126264","11.3968","0.0005","5.98855","0.00018","11.9533","0.0006","90","","112.265","0.005","90","","754.99","0.06","293","2","293.15","","","","","","","","","3","P 1 21 1","P 2yb","4","","","","- C18 H18 Si -","- C18 H18 Si -","- C36 H36 Si2 -","2","1","","Cheng, Biao; Lu, Peng; Zhang, Heyi; Cheng, Xinpeng; Lu, Zhan","Highly Enantioselective Cobalt-Catalyzed Hydrosilylation of Alkenes.","Journal of the American Chemical Society","2017","","","","","10.1021/jacs.7b04137","","","1.54184","CuKα","","0.0631","0.0615","","","0.1604","0.1652","","","","","","1.053","","","","has coordinates","198549","2020-10-21","18:00:00",""
"4126265","11.9612","0.0004","17.6598","0.0008","25.7133","0.0009","90","","90","","90","","5431.5","0.4","293","2","293.15","","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C50 H43 Cl2 Co N3 O2 -","- C50 H43 Cl2 Co N3 O2 -","- C200 H172 Cl8 Co4 N12 O8 -","4","1","","Cheng, Biao; Lu, Peng; Zhang, Heyi; Cheng, Xinpeng; Lu, Zhan","Highly Enantioselective Cobalt-Catalyzed Hydrosilylation of Alkenes.","Journal of the American Chemical Society","2017","","","","","10.1021/jacs.7b04137","","","0.71073","MoKα","","0.0527","0.0439","","","0.1081","0.115","","","","","","1.023","","","","has coordinates","198550","2020-10-21","18:00:00",""
"4126266","33.5373","0.0006","36.1722","0.0006","50.1922","0.0016","90","","107.83","0.003","90","","57965","3","100","2","100","2","","","","","","","","8","P 1 21/n 1","-P 2yn","14","","","","- C236 H170 F48 Fe4 N25 O5 S2 Sb7 -","- C235.35 H170 F27.03 Fe4 N24.675 O3.7 S1.35 Sb3.83 -","- C1882.8 H1360 F216.24 Fe32 N197.4 O29.6 S10.8 Sb30.64 -","8","2","","Ronson, Tanya K.; Meng, Wenjing; Nitschke, Jonathan R.","Design Principles for the Optimization of Guest Binding in Aromatic-Paneled Fe(II)4L6 Cages.","Journal of the American Chemical Society","2017","139","28","9698","9707","10.1021/jacs.7b05202","","","0.6889","synchrotron","","0.1357","0.116","","","0.3146","0.331","","","","","","1.034","","","","has coordinates,has disorder","199574","2020-10-21","18:00:00",""
"4126267","80.9755","0.0012","80.9755","0.0012","30.813","0.0007","90","","90","","120","","174973","5","100","2","100","2","","","","","","","","8","R -3 :H","-R 3","148","","","","- C243 H157.5 F48 Fe4 N31.5 O28 P S14 -","- C233.602 H157.5 F19.806 Fe4 N26.801 O9.204 P S4.602 -","- C4204.84 H2835 F356.508 Fe72 N482.418 O165.672 P18 S82.836 -","18","1","","Ronson, Tanya K.; Meng, Wenjing; Nitschke, Jonathan R.","Design Principles for the Optimization of Guest Binding in Aromatic-Paneled Fe(II)4L6 Cages.","Journal of the American Chemical Society","2017","139","28","9698","9707","10.1021/jacs.7b05202","","","0.6889","Synchrotron","","0.1851","0.1574","","","0.3924","0.4215","","","","","","1.382","","","","has coordinates,has disorder","199574","2020-10-21","18:00:00",""
"4126268","42.055","0.0017","16.872","0.0007","42.2649","0.0018","90","","98.284","0.001","90","","29676","2","180","2","180","2","","","","","","","","8","C 1 2/c 1","-C 2yc","15","","","","- C270.67 H204 As4.67 F48 Fe4 N27.33 O13.33 S6.67 -","- C270.667 H204 As4.6666 F48 Fe4 N27.3334 O13.3336 S6.6668 -","- C1082.67 H816 As18.6664 F192 Fe16 N109.334 O53.3344 S26.6672 -","4","0.5","","Ronson, Tanya K.; Meng, Wenjing; Nitschke, Jonathan R.","Design Principles for the Optimization of Guest Binding in Aromatic-Paneled Fe(II)4L6 Cages.","Journal of the American Chemical Society","2017","139","28","9698","9707","10.1021/jacs.7b05202","","","1.54178","CuKα","","0.1439","0.1122","","","0.3109","0.337","","","","","","1.126","","","","has coordinates,has disorder","199574","2020-10-21","18:00:00",""
"4126271","12.9593","0.0002","14.3504","0.0002","18.5552","0.0003","90","","95.896","0.001","90","","3432.48","0.09","150","0.1","150","0.1","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C69.5 H102 Mg2 N6 O2 -","- C66 H98 Mg2 N6 O2 -","- C132 H196 Mg4 N12 O4 -","2","0.5","","Anker, Mathew D.; Kefalidis, Christos E.; Yang, Yan; Fang, Jian; Hill, Michael S.; Mahon, Mary F.; Maron, Laurent","Alkaline Earth-centered CO Homologation, Reduction and Amine Carbonylation.","Journal of the American Chemical Society","2017","","","","","10.1021/jacs.7b04926","","x-ray","1.54184","CuKα","","0.0724","0.0602","","","0.1592","0.1679","","","","","","1.085","","","","has coordinates","198649","2020-10-21","18:00:00",""
"4126272","13.4056","0.0001","22.4368","0.0002","22.9956","0.0002","90","","90","","90","","6916.59","0.1","150","0.1","150","0.1","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C76 H102 Mg2 N6 O2 -","- C76 H102 Mg2 N6 O2 -","- C304 H408 Mg8 N24 O8 -","4","1","","Anker, Mathew D.; Kefalidis, Christos E.; Yang, Yan; Fang, Jian; Hill, Michael S.; Mahon, Mary F.; Maron, Laurent","Alkaline Earth-centered CO Homologation, Reduction and Amine Carbonylation.","Journal of the American Chemical Society","2017","","","","","10.1021/jacs.7b04926","","x-ray","1.54184","CuKα","","0.0308","0.0293","","","0.0753","0.0763","","","","","","1.03","","","","has coordinates","198649","2020-10-21","18:00:00",""
"4126273","21.9505","0.0004","14.60243","0.00019","22.8491","0.0004","90","","113.987","0.002","90","","6691.3","0.2","150.01","0.1","150","0.1","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C34 H51 Ca N3 O -","- C34 H51 Ca N3 O -","- C272 H408 Ca8 N24 O8 -","8","1","","Anker, Mathew D.; Kefalidis, Christos E.; Yang, Yan; Fang, Jian; Hill, Michael S.; Mahon, Mary F.; Maron, Laurent","Alkaline Earth-centered CO Homologation, Reduction and Amine Carbonylation.","Journal of the American Chemical Society","2017","","","","","10.1021/jacs.7b04926","","","1.54184","CuKα","","0.0454","0.0435","","","0.1145","0.1161","","","","","","1.027","","","","has coordinates","198649","2020-10-21","18:00:00",""
"4126274","13.2289","0.0002","19.8454","0.0003","14.1282","0.0002","90","","108.786","0.0017","90","","3511.53","0.1","150","0.1","150","0.1","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C76 H102 Ca2 N6 O2 -","- C76 H102 Ca2 N6 O2 -","- C152 H204 Ca4 N12 O4 -","2","0.5","","Anker, Mathew D.; Kefalidis, Christos E.; Yang, Yan; Fang, Jian; Hill, Michael S.; Mahon, Mary F.; Maron, Laurent","Alkaline Earth-centered CO Homologation, Reduction and Amine Carbonylation.","Journal of the American Chemical Society","2017","","","","","10.1021/jacs.7b04926","","","1.54184","CuKα","","0.0501","0.0427","","","0.1114","0.1171","","","","","","1.021","","","","has coordinates","198649","2020-10-21","18:00:00",""
"4126275","12.3369","0.0003","14.1438","0.0003","24.9534","0.0006","100.966","0.002","91.498","0.002","110.918","0.002","3971.84","0.17","150","0.1","150","0.1","","","","","","","","5","P -1","-P 1","2","","","","- C82 H129 Ca2 N5 O5 -","- C79 H117 Ca2 N5 O5 -","- C158 H234 Ca4 N10 O10 -","2","1","","Anker, Mathew D.; Kefalidis, Christos E.; Yang, Yan; Fang, Jian; Hill, Michael S.; Mahon, Mary F.; Maron, Laurent","Alkaline Earth-centered CO Homologation, Reduction and Amine Carbonylation.","Journal of the American Chemical Society","2017","","","","","10.1021/jacs.7b04926","","x-ray","1.54184","CuKα","","0.0637","0.046","","","0.1146","0.1258","","","","","","1.012","","","","has coordinates,has disorder","198649","2020-10-21","18:00:00",""
"4126276","13.88039","0.00016","11.90132","0.00012","21.61","0.0002","90","","100.007","0.0011","90","","3515.56","0.06","150","0.1","150","0.1","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C40 H52 Mg N3 O -","- C40 H52 Mg N3 O -","- C160 H208 Mg4 N12 O4 -","4","1","","Anker, Mathew D.; Kefalidis, Christos E.; Yang, Yan; Fang, Jian; Hill, Michael S.; Mahon, Mary F.; Maron, Laurent","Alkaline Earth-centered CO Homologation, Reduction and Amine Carbonylation.","Journal of the American Chemical Society","2017","","","","","10.1021/jacs.7b04926","","","1.54184","CuKα","","0.0557","0.051","","","0.1369","0.1411","","","","","","1.04","","","","has coordinates","198649","2020-10-21","18:00:00",""
"4126277","15.3517","0.0007","15.5044","0.0006","19.184","0.0006","85.931","0.003","76.247","0.003","72.926","0.004","4239.8","0.3","150","0.1","150","0.1","","","","","","","","6","P -1","-P 1","2","","","","- C84.8 H133.2 B Ca2 N5 O5 -","- C84.8 H133.2 B Ca2 N5 O5 -","- C169.6 H266.4 B2 Ca4 N10 O10 -","2","1","","Anker, Mathew D.; Kefalidis, Christos E.; Yang, Yan; Fang, Jian; Hill, Michael S.; Mahon, Mary F.; Maron, Laurent","Alkaline Earth-centered CO Homologation, Reduction and Amine Carbonylation.","Journal of the American Chemical Society","2017","","","","","10.1021/jacs.7b04926","","x-ray","1.54184","CuKα","","0.0932","0.0675","","","0.1795","0.1999","","","","","","1.041","","","","has coordinates,has disorder","198649","2020-10-21","18:00:00",""
"4126278","36.2023","0.0007","41.1857","0.0008","44.1204","0.0009","90","","104.399","0.002","90","","63718","2","230","2","230.01","","","","","","","","","4","C 1 2/c 1","-C 2yc","15","Au103 S2 S(Naph)41","","","- C410 H287 Au103 S43 -","- C410 H287 Au103 S43 -","- C1640 H1148 Au412 S172 -","4","0.5","","Higaki, Tatsuya; Liu, Chong; Zhou, Meng; Luo, Tian-Yi; Rosi, Nathaniel L.; Jin, Rongchao","Tailoring the Structure of 58-Electron Gold Nanoclusters: Au103S2(S-Nap)41 and Its Implications.","Journal of the American Chemical Society","2017","","","","","10.1021/jacs.7b04678","","","1.54178","CuKα","","0.1573","0.0937","","","0.2498","0.3111","","","","","","1.092","","","","has coordinates","198683","2020-10-21","18:00:00",""
"4126279","5.4836","0.0005","9.4307","0.0009","19.988","0.002","90","","90.448","0.006","90","","1033.63","0.17","100","2","100","2","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","","","- C15 H12.09 O0.95 -","- C15 H12.092 O0.954 -","- C60 H48.368 O3.816 -","4","1","","Zhao, Jiannan; Brosmer, Jonathan L.; Tang, Qingxuan; Yang, Zhongyue; Houk, K. N.; Diaconescu, Paula L.; Kwon, Ohyun","Intramolecular Crossed [2+2] Photocycloaddition through Visible Light-Induced Energy Transfer.","Journal of the American Chemical Society","2017","","","","","10.1021/jacs.7b05277","","","1.54178","CuKα","","0.0526","0.0473","","","0.1357","0.1391","","","","","","1.078","","","","has coordinates,has disorder","198684","2020-10-21","18:00:00",""
"4126280","9.8879","0.0008","7.0703","0.0006","17.6044","0.0013","90","","92.236","0.004","90","","1229.79","0.17","100","2","100","2","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","","","- C17 H14 O -","- C17 H14 O -","- C68 H56 O4 -","4","1","","Zhao, Jiannan; Brosmer, Jonathan L.; Tang, Qingxuan; Yang, Zhongyue; Houk, K. N.; Diaconescu, Paula L.; Kwon, Ohyun","Intramolecular Crossed [2+2] Photocycloaddition through Visible Light-Induced Energy Transfer.","Journal of the American Chemical Society","2017","","","","","10.1021/jacs.7b05277","","","1.54178","CuKα","","0.0626","0.0567","","","0.1437","0.1497","","","","","","1.054","","","","has coordinates","198685","2020-10-21","18:00:00",""
"4126281","9.198","0.0002","27.5739","0.0019","14.0441","0.0003","90","","90","","90","","3561.9","0.3","85","","85","","","","","","","","","7","P n a 21","P 2c -2n","33","","","","- C108 H232 B12 F12 K4 N12 O32 -","- C108 H232 B12 F12 K4 N12 O32 -","- C108 H232 B12 F12 K4 N12 O32 -","1","0.25","","Geri, Jacob B.; Szymczak, Nathaniel K.","Recyclable Trifluoromethylation Reagents from Fluoroform","Journal of the American Chemical Society","2017","","","","","10.1021/jacs.7b05408","","","1.54187","CuKα","","0.0341","0.0336","","","0.0834","0.0838","","","","","","1.054","","","","has coordinates","198693","2020-10-21","18:00:00",""
"4126282","8.7712","0.0002","22.1274","0.0004","15.9338","0.0011","90","","90.135","0.006","90","","3092.5","0.2","225","","225","","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","K(18-crown-6)Me6B3N3(CH2C6H5)","","- C25 H49 B3 K N3 O6 -","- C25 H49 B3 K N3 O6 -","- C100 H196 B12 K4 N12 O24 -","4","1","","Geri, Jacob B.; Szymczak, Nathaniel K.","Recyclable Trifluoromethylation Reagents from Fluoroform","Journal of the American Chemical Society","2017","","","","","10.1021/jacs.7b05408","","","1.54187","CuKα","","0.0679","0.0668","","","0.1814","0.1829","","","","","","1.044","","","","has coordinates","198693","2020-10-21","18:00:00",""
"4126283","15.9373","0.0006","6.0706","0.0002","16.2408","0.0006","90","","105.336","0.002","90","","1515.33","0.1","100","2","100","","","","","","","","","3","P 1 21 1","P 2yb","4","","","","- C18 H22 O2 -","- C18 H22 O2 -","- C72 H88 O8 -","4","2","","Kim, Daniel K.; Riedel, Jan; Kim, Raphael S.; Dong, Vy M.","Cobalt Catalysis for Enantioselective Cyclobutanone Construction.","Journal of the American Chemical Society","2017","","","","","10.1021/jacs.7b05327","","","1.54178","CuKα","","0.0338","0.0319","","","0.077","0.0785","","","","","","1.057","","","","has coordinates,has disorder","198724","2020-10-21","18:00:00",""
"4126284","21.4759","0.0011","21.4759","0.0011","6.8613","0.0004","90","","90","","120","","2740.6","0.3","100","","100","","","","","","","","","5","P 31 2 1","P 31 2""","152","Zn2(dobpdc)(mm-2)1.83","","","- C21.32 H27.96 N3.66 O6 Zn2 -","- C21.28 H27.84 N3.82 O6 Zn2 -","- C63.84 H83.52 N11.46 O18 Zn6 -","3","0.5","","Siegelman, Rebecca L.; McDonald, Thomas M.; Gonzalez, Miguel I.; Martell, Jeffrey; Milner, Phillip J.; Mason, Jarad A.; Berger, Adam H.; Bhown, Abhoyjit S.; Long, Jeffrey R.","Controlling Cooperative CO2 Adsorption in Diamine-Appended Mg2(dobpdc) Metal-Organic Frameworks.","Journal of the American Chemical Society","2017","","","","","10.1021/jacs.7b05858","","","0.7749","synchrotron","","0.0482","0.0414","","","0.1337","0.1368","","","","","","1.102","","","","has coordinates,has disorder","198805","2020-10-21","18:00:00",""
"4126285","21.2594","0.0011","21.2594","0.0011","6.7655","0.0004","90","","90","","120","","2648.1","0.2","100","2","100","2","","","","","","","","5","P 32 2 1","P 32 2""","154","Zn2(dobpdc)(m-2-CO2)1.62","","","- C20.48 H22.2 N3.24 O9.24 Zn2 -","- C20.48 H22.2 N3.24 O9.24 Zn2 -","- C61.44 H66.6 N9.72 O27.72 Zn6 -","3","0.5","","Siegelman, Rebecca L.; McDonald, Thomas M.; Gonzalez, Miguel I.; Martell, Jeffrey; Milner, Phillip J.; Mason, Jarad A.; Berger, Adam H.; Bhown, Abhoyjit S.; Long, Jeffrey R.","Controlling Cooperative CO2 Adsorption in Diamine-Appended Mg2(dobpdc) Metal-Organic Frameworks.","Journal of the American Chemical Society","2017","","","","","10.1021/jacs.7b05858","","","0.7749","synchrotron","","0.057","0.0513","","","0.126","0.1283","","","","","","1.14","","","","has coordinates,has disorder","198806","2020-10-21","18:00:00",""
"4126286","21.6857","0.0008","21.6857","0.0008","6.8891","0.0003","90","","90","","120","","2805.69","0.19","195","","195","","","","","","","","","5","P 32 2 1","P 32 2""","154","Zn2(dobpdc)(e-2-e-CO2)(e-2-e)","","","- C27 H38 N4 O8 Zn2 -","- C21 H22 N2 O9 Zn2 -","- C63 H66 N6 O27 Zn6 -","3","0.5","","Siegelman, Rebecca L.; McDonald, Thomas M.; Gonzalez, Miguel I.; Martell, Jeffrey; Milner, Phillip J.; Mason, Jarad A.; Berger, Adam H.; Bhown, Abhoyjit S.; Long, Jeffrey R.","Controlling Cooperative CO2 Adsorption in Diamine-Appended Mg2(dobpdc) Metal-Organic Frameworks.","Journal of the American Chemical Society","2017","","","","","10.1021/jacs.7b05858","","","0.7749","synchrotron","","0.068","0.0645","","","0.161","0.1628","","","","","","1.232","","","","has coordinates,has disorder","198807","2020-10-21","18:00:00",""
"4126287","21.7573","0.0008","21.7573","0.0008","6.9089","0.0003","90","","90","","120","","2832.37","0.19","100","","100","","","","","","","","","5","P 31 2 1","P 31 2""","152","Zn2(dobpdc)(e-2-e)1.26","","","- C21.56 H26.16 N2.52 O6 Zn2 -","- C21.536 H26.068 N3.256 O6 Zn2 -","- C64.608 H78.204 N9.768 O18 Zn6 -","3","0.5","","Siegelman, Rebecca L.; McDonald, Thomas M.; Gonzalez, Miguel I.; Martell, Jeffrey; Milner, Phillip J.; Mason, Jarad A.; Berger, Adam H.; Bhown, Abhoyjit S.; Long, Jeffrey R.","Controlling Cooperative CO2 Adsorption in Diamine-Appended Mg2(dobpdc) Metal-Organic Frameworks.","Journal of the American Chemical Society","2017","","","","","10.1021/jacs.7b05858","","","0.7293","synchrotron","","0.0496","0.0478","","","0.1343","0.1355","","","","","","1.163","","","","has coordinates,has disorder","198808","2020-10-21","18:00:00",""
"4126288","21.662","0.0006","21.662","0.0006","6.8262","0.0002","90","","90","","120","","2774","0.14","100","","100","","","","","","","","","5","P 32 2 1","P 32 2""","154","Zn2(dobpdc)(ee-2)1.65","","","- C23.89 H33.97 N3.3 O6.8 Zn2 -","- C23.864 H35.04 N3.644 O6.78 Zn2 -","- C71.592 H105.12 N10.932 O20.34 Zn6 -","3","0.5","","Siegelman, Rebecca L.; McDonald, Thomas M.; Gonzalez, Miguel I.; Martell, Jeffrey; Milner, Phillip J.; Mason, Jarad A.; Berger, Adam H.; Bhown, Abhoyjit S.; Long, Jeffrey R.","Controlling Cooperative CO2 Adsorption in Diamine-Appended Mg2(dobpdc) Metal-Organic Frameworks.","Journal of the American Chemical Society","2017","","","","","10.1021/jacs.7b05858","","","0.8856","synchrotron","","0.0509","0.0398","","","0.0902","0.0944","","","","","","1.053","","","","has coordinates,has disorder","198809","2020-10-21","18:00:00",""
"4126289","12.6869","0.001","13.4548","0.001","14.0726","0.001","74.813","0.002","78.417","0.002","81.985","0.002","2261.5","0.3","100","2","100","2","","","","","","","","5","P -1","-P 1","2","[Fe(TTP)(CCl2)]1.5C6H6","","","- C29 H22.5 Cl Fe0.5 N2 -","- C29 H22.5 Cl Fe0.5 N2 -","- C116 H90 Cl4 Fe2 N8 -","4","2","","Liu, Yulong; Xu, Wei; Zhang, Jing; Fuller, William; Schulz, Charles E.; Li, Jianfeng","The Electronic Configuration and Ligand Nature of Five Coordinate Iron Porphyrin Carbene Complexes: An Experimental Study.","Journal of the American Chemical Society","2017","","","","","10.1021/jacs.7b01722","","","0.71073","MoKα","","0.0391","0.0322","","","0.0798","0.0838","","","","","","1.024","","","","has coordinates","198956","2020-10-21","18:00:00",""
"4126290","14.4645","0.0009","16.4098","0.0009","23.5118","0.0015","90","","107.508","0.002","90","","5322.2","0.6","103","2","103","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","[FeTFPP][Ph2C]","","","- C66 H27 F20 Fe N4 -","- C66 H27 F20 Fe N4 -","- C264 H108 F80 Fe4 N16 -","4","1","","Liu, Yulong; Xu, Wei; Zhang, Jing; Fuller, William; Schulz, Charles E.; Li, Jianfeng","The Electronic Configuration and Ligand Nature of Five Coordinate Iron Porphyrin Carbene Complexes: An Experimental Study.","Journal of the American Chemical Society","2017","","","","","10.1021/jacs.7b01722","","","0.71073","MoKα","","0.0584","0.0437","","","0.1027","0.1146","","","","","","1.042","","","","has coordinates","198957","2020-10-21","18:00:00",""
"4126291","10.197","0.0005","16.4382","0.0007","17.6122","0.0008","90","","100.323","0.003","90","","2904.4","0.2","153","2","153","2","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C22 H40 B2 Cl3 N O Si2 -","- C22 H40 B2 Cl3 N O Si2 -","- C88 H160 B8 Cl12 N4 O4 Si8 -","4","1","","Lu, Wei; Li, Yongxin; Ganguly, Rakesh; Kinjo, Rei","Alkene-Carbene Isomerization induced by Borane: Access to an Asymmetrical Diborene.","Journal of the American Chemical Society","2017","","","","","10.1021/jacs.7b02251","","","0.71073","MoKα","","0.0969","0.0536","","","0.1176","0.14","","","","","","1.014","","","","has coordinates","198958","2020-10-21","18:00:00",""
"4126292","35.635","0.003","7.2343","0.0005","19.7089","0.0015","90","","90","","90","","5080.8","0.7","153","2","153","2","","","","","","","","6","P b c n","-P 2n 2ab","60","","","","- C22 H40 B N O Si2 -","- C22 H40 B N O Si2 -","- C176 H320 B8 N8 O8 Si16 -","8","1","","Lu, Wei; Li, Yongxin; Ganguly, Rakesh; Kinjo, Rei","Alkene-Carbene Isomerization induced by Borane: Access to an Asymmetrical Diborene.","Journal of the American Chemical Society","2017","","","","","10.1021/jacs.7b02251","","","0.71073","MoKα","","0.0733","0.051","","","0.1063","0.1159","","","","","","1.055","","","","has coordinates,has disorder","198959","2020-10-21","18:00:00",""
"4126293","14.4344","0.0002","20.9581","0.0003","23.3737","0.0003","90","","94.415","0.0008","90","","7049.97","0.17","113","2","113","2","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C68 H107 B3 Br2 N4 O Si2 -","- C68 H107 B3 Br2 N4 O Si2 -","- C272 H428 B12 Br8 N16 O4 Si8 -","4","1","","Lu, Wei; Li, Yongxin; Ganguly, Rakesh; Kinjo, Rei","Alkene-Carbene Isomerization induced by Borane: Access to an Asymmetrical Diborene.","Journal of the American Chemical Society","2017","","","","","10.1021/jacs.7b02251","","","1.54178","CuKα","","0.0633","0.0529","","","0.1495","0.1591","","","","","","1.082","","","","has coordinates","198960","2020-10-21","18:00:00",""
"4126294","20.6001","0.001","9.5028","0.0004","18.7349","0.0014","90","","121.314","0.0015","90","","3133.3","0.3","103","2","103","2","","","","","","","","7","C 1 c 1","C -2yc","9","","","","- C22 H40 B3 Br4 N O Si2 -","- C22 H40 B3 Br4 N O Si2 -","- C88 H160 B12 Br16 N4 O4 Si8 -","4","1","","Lu, Wei; Li, Yongxin; Ganguly, Rakesh; Kinjo, Rei","Alkene-Carbene Isomerization induced by Borane: Access to an Asymmetrical Diborene.","Journal of the American Chemical Society","2017","","","","","10.1021/jacs.7b02251","","","0.71073","MoKα","","0.1127","0.0583","","","0.0921","0.1069","","","","","","1.008","","","","has coordinates","198961","2020-10-21","18:00:00",""
"4126295","15.3374","0.0006","37.0863","0.0014","13.4231","0.0005","90","","104.892","0.0017","90","","7378.7","0.5","150","","150","","","","","","","","dichloromethane","7","P 1 21/c 1","-P 2ybc","14","","Title","","- C28.25 H34.5 Cl0.5 F12 N4 P2 Sb2 -","- C28.25 H34.5 Cl0.5 F12 N4 P2 Sb2 -","- C226 H276 Cl4 F96 N32 P16 Sb16 -","8","2","","Gu, Lianghu; Wolf, Lawrence M.; Zieliński, Adam; Thiel, Walter; Alcarazo, Manuel","α-Dicationic Chelating Phosphines: Synthesis and Application to the Hydroarylation of Dienes.","Journal of the American Chemical Society","2017","139","13","4948","4953","10.1021/jacs.7b01441","","","1.54178","Cu-Kα","","0.084","0.0724","","","0.1879","0.1972","","","","","","1.028","","","","has coordinates,has disorder","199580","2020-10-21","18:00:00",""
"4126296","17.492","0.002","15.774","0.002","17.985","0.002","90","","111.088","0.002","90","","4630.1","0.9","100","","100","","","","","","","","dichlormethane","9","P 1 21/c 1","-P 2ybc","14","","Title","","- C32 H34 Cl D6 F12 N6 P2 Rh Sb2 -","- C32 H34 Cl D6 F12 N6 P2 Rh Sb2 -","- C128 H136 Cl4 D24 F48 N24 P8 Rh4 Sb8 -","4","1","","Gu, Lianghu; Wolf, Lawrence M.; Zieliński, Adam; Thiel, Walter; Alcarazo, Manuel","α-Dicationic Chelating Phosphines: Synthesis and Application to the Hydroarylation of Dienes.","Journal of the American Chemical Society","2017","139","13","4948","4953","10.1021/jacs.7b01441","","","0.71073","Mo-Kα","","0.0748","0.0511","","","0.103","0.1098","","","","","","1.059","","","","has coordinates","199580","2020-10-21","18:00:00",""
"4126297","17.7583","0.0018","12.1947","0.0012","18.3067","0.0018","90","","91.115","0.002","90","","3963.7","0.7","100","","100","","","","","","","","acetonitrile","8","P 1 21/n 1","-P 2yn","14","","Title","","- C38 H45 B2 Cl F8 N5 P2 Rh -","- C38 H45 B2 Cl F8 N5 P2 Rh -","- C152 H180 B8 Cl4 F32 N20 P8 Rh4 -","4","1","","Gu, Lianghu; Wolf, Lawrence M.; Zieliński, Adam; Thiel, Walter; Alcarazo, Manuel","α-Dicationic Chelating Phosphines: Synthesis and Application to the Hydroarylation of Dienes.","Journal of the American Chemical Society","2017","139","13","4948","4953","10.1021/jacs.7b01441","","","0.71073","Mo-Kα","","0.0517","0.0332","","","0.089","0.1114","","","","","","1.138","","","","has coordinates","199580","2020-10-21","18:00:00",""
"4126298","4.3521","0.0007","11.0812","0.0017","17.984","0.003","77.396","0.003","85.184","0.003","79.972","0.003","832.5","0.2","100","2","100","2","","","","","","","","4","P -1","-P 1","2","","","","- C40 H18 F14 O4 -","- C40 H18 F12 O4 -","- C40 H18 F12 O4 -","1","0.5","","Sharber, Seth A.; Baral, Rom Nath; Frausto, Fanny; Haas, Terry E.; Müller, Peter; Thomas Iii, Samuel W.","Substituent Effects That Control Conjugated Oligomer Conformation through Non-covalent Interactions.","Journal of the American Chemical Society","2017","","","","","10.1021/jacs.7b00878","","","0.71073","MoKα","","0.0531","0.04","","","0.1042","0.1242","","","","","","1.109","","","","has coordinates,has disorder","198965","2020-10-21","18:00:00",""
"4126299","15.0758","0.0013","7.8387","0.0006","15.6727","0.0013","90","","107.343","0.002","90","","1767.9","0.3","100","2","100","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C42 H20 F10 O8 -","- C42 H20 F10 O8 -","- C84 H40 F20 O16 -","2","0.5","","Sharber, Seth A.; Baral, Rom Nath; Frausto, Fanny; Haas, Terry E.; Müller, Peter; Thomas Iii, Samuel W.","Substituent Effects That Control Conjugated Oligomer Conformation through Non-covalent Interactions.","Journal of the American Chemical Society","2017","","","","","10.1021/jacs.7b00878","","","0.71073","MoKα","","0.0625","0.0488","","","0.1305","0.1452","","","","","","1.052","","","","has coordinates","198966","2020-10-21","18:00:00",""
"4126300","7.4559","0.0015","17.895","0.004","27.244","0.005","88.26","0.03","83.74","0.03","87.72","0.03","3609.2","1.3","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","","","- C42 H26 F10 N2 O4 -","- C42 H26 F10 N2 O4 -","- C168 H104 F40 N8 O16 -","4","2","","Sharber, Seth A.; Baral, Rom Nath; Frausto, Fanny; Haas, Terry E.; Müller, Peter; Thomas Iii, Samuel W.","Substituent Effects That Control Conjugated Oligomer Conformation through Non-covalent Interactions.","Journal of the American Chemical Society","2017","","","","","10.1021/jacs.7b00878","","","0.71073","MoKα","","0.1308","0.1095","","","0.2923","0.3067","","","","","","1.081","","","","has coordinates","198968","2020-10-21","18:00:00",""
"4126301","14.7037","0.0015","5.7576","0.0006","21.544","0.002","90","","102.768","0.002","90","","1778.8","0.3","100","2","100","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C42 H20 F10 O6 -","- C42 H20 F10 O8 -","- C84 H40 F20 O16 -","2","0.5","","Sharber, Seth A.; Baral, Rom Nath; Frausto, Fanny; Haas, Terry E.; Müller, Peter; Thomas Iii, Samuel W.","Substituent Effects That Control Conjugated Oligomer Conformation through Non-covalent Interactions.","Journal of the American Chemical Society","2017","","","","","10.1021/jacs.7b00878","","","0.71073","MoKα","","0.0436","0.0351","","","0.0916","0.1075","","","","","","1.136","","","","has coordinates","198969","2020-10-21","18:00:00",""
"4126302","7.6773","0.0006","9.1349","0.0007","12.3066","0.001","105.718","0.002","91.546","0.002","99.403","0.002","817.33","0.11","101","2","101","2","","","","","","","","4","P -1","-P 1","2","","","","- C40 H24 F6 O6 -","- C40 H24 F6 O6 -","- C40 H24 F6 O6 -","1","0.5","","Sharber, Seth A.; Baral, Rom Nath; Frausto, Fanny; Haas, Terry E.; Müller, Peter; Thomas Iii, Samuel W.","Substituent Effects That Control Conjugated Oligomer Conformation through Non-covalent Interactions.","Journal of the American Chemical Society","2017","","","","","10.1021/jacs.7b00878","","","0.71073","MoKα","","0.0519","0.043","","","0.1113","0.1187","","","","","","1.032","","","","has coordinates","198970","2020-10-21","18:00:00",""
"4126303","4.8046","0.0018","22.141","0.009","14.748","0.006","90","","93.177","0.008","90","","1566.5","1.1","100","2","100","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C40 H18 F6 N2 O4 -","- C40 H18 F6 N2 O4 -","- C80 H36 F12 N4 O8 -","2","0.5","","Sharber, Seth A.; Baral, Rom Nath; Frausto, Fanny; Haas, Terry E.; Müller, Peter; Thomas Iii, Samuel W.","Substituent Effects That Control Conjugated Oligomer Conformation through Non-covalent Interactions.","Journal of the American Chemical Society","2017","","","","","10.1021/jacs.7b00878","","","0.71073","MoKα","","0.2047","0.1882","","","0.4651","0.4726","","","","","","1.127","","","","has coordinates","198971","2020-10-21","18:00:00",""
"4126304","6.9872","0.0011","7.1084","0.0011","35.914","0.006","87.261","0.003","86.899","0.003","73.297","0.004","1705","0.5","100","2","100","2","","","","","","","","4","P -1","-P 1","2","","","","- C40 H14 F16 O4 -","- C40 H14 F16 O4 -","- C80 H28 F32 O8 -","2","1","","Sharber, Seth A.; Baral, Rom Nath; Frausto, Fanny; Haas, Terry E.; Müller, Peter; Thomas Iii, Samuel W.","Substituent Effects That Control Conjugated Oligomer Conformation through Non-covalent Interactions.","Journal of the American Chemical Society","2017","","","","","10.1021/jacs.7b00878","","","0.71073","MoKα","","0.1416","0.1335","","","0.3509","0.3534","","","","","","2.452","","","","has coordinates","198972","2020-10-21","18:00:00",""
"4126305","14.7008","0.0016","7.6554","0.0008","58.176","0.006","90","","90","","90","","6547.2","1.2","100","2","100","2","","","","","","","","4","P n a 21","P 2c -2n","33","","","","- C40 H18 F12 O4 -","- C40 H18 F12 O4 -","- C320 H144 F96 O32 -","8","2","","Sharber, Seth A.; Baral, Rom Nath; Frausto, Fanny; Haas, Terry E.; Müller, Peter; Thomas Iii, Samuel W.","Substituent Effects That Control Conjugated Oligomer Conformation through Non-covalent Interactions.","Journal of the American Chemical Society","2017","","","","","10.1021/jacs.7b00878","","","0.71073","MoKα","","0.0466","0.0448","","","0.122","0.1272","","","","","","1.144","","","","has coordinates","198973","2020-10-21","18:00:00",""
"4126306","16.1026","0.0017","5.6463","0.0007","17.9272","0.0017","90","","102.455","0.008","90","","1591.6","0.3","100","2","100","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C38 H14 F10 N2 O8 -","- C38 H14 F10 N2 O8 -","- C76 H28 F20 N4 O16 -","2","0.5","","Sharber, Seth A.; Baral, Rom Nath; Frausto, Fanny; Haas, Terry E.; Müller, Peter; Thomas Iii, Samuel W.","Substituent Effects That Control Conjugated Oligomer Conformation through Non-covalent Interactions.","Journal of the American Chemical Society","2017","","","","","10.1021/jacs.7b00878","","","1.54178","CuKα","","0.0772","0.0586","","","0.1462","0.1626","","","","","","1.035","","","","has coordinates","198974","2020-10-21","18:00:00",""
"4126307","13.195","0.004","28.087","0.007","10.834","0.003","90","","96.998","0.007","90","","3985.3","1.9","100","","100","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C15 H13 Cl N2 O -","- C15 H13 Cl N2 O -","- C180 H156 Cl12 N24 O12 -","12","3","","Derosa, Joseph; Cantu, Annabelle L.; Boulous, Mark N.; O'Duill, Miriam L; Turnbull, Joshua L.; Liu, Zhen; De La Torre, Daizy M.; Engle, Keary M.","Palladium(II)-Catalyzed Directed anti-Hydrochlorination of Unactivated Alkynes with HCl.","Journal of the American Chemical Society","2017","","","","","10.1021/jacs.7b00892","","","0.71073","MoKα","","0.0859","0.0464","","","0.0926","0.1092","","","","","","1.016","","","","has coordinates","198975","2020-10-21","18:00:00",""
"4126308","24.8124","0.0004","24.8124","0.0004","47.889","0.0016","90","","90","","90","","29483.1","1.2","180","2","180","2","","","","","","","","6","I 41/a","-I 4ad","88","","","","- C260 H180 As8 F48 Fe4 N28 -","- C260 H174 As6.2 F36.4 Fe4 N28 -","- C1040 H696 As24.8 F145.6 Fe16 N112 -","4","","","Ronson, Tanya K.; Meng, Wenjing; Nitschke, Jonathan R.","Design Principles for the Optimization of Guest Binding in Aromatic-Paneled Fe(II)4L6 Cages.","Journal of the American Chemical Society","2017","139","28","9698","9707","10.1021/jacs.7b05202","","","1.54178","CuKα","","0.1463","0.1212","","","0.3341","0.3575","","","","","","1.125","","","","has coordinates,has disorder","199574","2020-10-21","18:00:00",""
"4126309","7.732","0.007","10.312","0.009","11.343","0.009","78.07","0.02","72.22","0.02","75.6","0.02","825.7","1.2","296","2","296","2","","","","","","","","6","P -1","-P 1","2","","","","- C10 H12 Cl4 N2 O2 U -","- C10 H12 Cl4 N2 O2 U -","- C20 H24 Cl8 N4 O4 U2 -","2","1","","Surbella, Robert G.; Ducati, Lucas Colucci; Pellegrini, Kristi L.; McNamara, Bruce K.; Autschbach, Jochen; Schwantes, Jon Michael; Cahill, Christopher L.","Transuranic Hybrid Materials: Crystallographic and Computational Metrics of Supramolecular Assembly.","Journal of the American Chemical Society","2017","","","","","10.1021/jacs.7b05689","","x-ray","0.71073","MoKα","","0.0238","0.017","","","0.0392","0.0428","","","","","","1.067","","","","has coordinates","199346","2020-10-21","18:00:00",""
"4126310","7.7161","0.0006","10.2869","0.0009","11.274","0.0009","78.003","0.002","71.909","0.002","75.712","0.002","815.91","0.12","296","2","296","2","","","","","","","","6","P -1","-P 1","2","","","","- C10 H12 Cl4 N2 Np O2 -","- C10 H12 Cl4 N2 Np O2 -","- C20 H24 Cl8 N4 Np2 O4 -","2","1","","Surbella, Robert G.; Ducati, Lucas Colucci; Pellegrini, Kristi L.; McNamara, Bruce K.; Autschbach, Jochen; Schwantes, Jon Michael; Cahill, Christopher L.","Transuranic Hybrid Materials: Crystallographic and Computational Metrics of Supramolecular Assembly.","Journal of the American Chemical Society","2017","","","","","10.1021/jacs.7b05689","","x-ray","0.56086","AgKα","","0.0614","0.031","","","0.0573","0.0649","","","","","","1.069","","","","has coordinates","199346","2020-10-21","18:00:00",""
"4126311","15.7687","0.001","6.7068","0.0004","9.0971","0.0006","90","","105.585","0.002","90","","926.71","0.1","296","2","296","2","","","","","","","","6","C 1 2/m 1","-C 2y","12","","","","- C10 H10 Cl6 N2 Np O2 -","- C10 H10 Cl6 N2 Np O2 -","- C20 H20 Cl12 N4 Np2 O4 -","2","0.25","","Surbella, Robert G.; Ducati, Lucas Colucci; Pellegrini, Kristi L.; McNamara, Bruce K.; Autschbach, Jochen; Schwantes, Jon Michael; Cahill, Christopher L.","Transuranic Hybrid Materials: Crystallographic and Computational Metrics of Supramolecular Assembly.","Journal of the American Chemical Society","2017","","","","","10.1021/jacs.7b05689","","x-ray","0.71073","MoKα","","0.0261","0.0248","","","0.0457","0.0462","","","","","","1.072","","","","has coordinates","199346","2020-10-21","18:00:00",""
"4126312","15.9996","0.0011","8.6659","0.0006","6.8488","0.0005","90","","102.023","0.002","90","","928.76","0.11","296","2","296","2","","","","","","","","7","C 1 2/m 1","-C 2y","12","","","","- C10 H10 Br2 Cl4 N2 Np O2 -","- C10 H10 Br2 Cl4 N2 Np O2 -","- C20 H20 Br4 Cl8 N4 Np2 O4 -","2","0.25","","Surbella, Robert G.; Ducati, Lucas Colucci; Pellegrini, Kristi L.; McNamara, Bruce K.; Autschbach, Jochen; Schwantes, Jon Michael; Cahill, Christopher L.","Transuranic Hybrid Materials: Crystallographic and Computational Metrics of Supramolecular Assembly.","Journal of the American Chemical Society","2017","","","","","10.1021/jacs.7b05689","","x-ray","0.56086","AgKα","","0.0166","0.0165","","","0.0332","0.0333","","","","","","1.037","","","","has coordinates","199346","2020-10-21","18:00:00",""
"4126313","16.3553","0.0008","8.668","0.0004","6.9455","0.0003","90","","102.394","0.001","90","","961.7","0.08","296","2","296","2","","","","","","","","7","C 1 2/m 1","-C 2y","12","","","","- C10 H10 Cl4 I2 N2 Np O2 -","- C10 H10 Cl4 I2 N2 Np O2 -","- C20 H20 Cl8 I4 N4 Np2 O4 -","2","0.25","","Surbella, Robert G.; Ducati, Lucas Colucci; Pellegrini, Kristi L.; McNamara, Bruce K.; Autschbach, Jochen; Schwantes, Jon Michael; Cahill, Christopher L.","Transuranic Hybrid Materials: Crystallographic and Computational Metrics of Supramolecular Assembly.","Journal of the American Chemical Society","2017","","","","","10.1021/jacs.7b05689","","x-ray","0.71073","MoKα","","0.043","0.0333","","","0.059","0.0628","","","","","","1.191","","","","has coordinates","199346","2020-10-21","18:00:00",""
"4126314","7.7417","0.0004","10.3137","0.0005","11.2637","0.0006","77.936","0.001","71.773","0.001","75.432","0.001","818.42","0.07","296","2","296","2","","","","","","","","6","P -1","-P 1","2","","","","- C10 H12 Cl4 N2 O2 Pu -","- C10 H12 Cl4 N2 O2 Pu -","- C20 H24 Cl8 N4 O4 Pu2 -","2","1","","Surbella, Robert G.; Ducati, Lucas Colucci; Pellegrini, Kristi L.; McNamara, Bruce K.; Autschbach, Jochen; Schwantes, Jon Michael; Cahill, Christopher L.","Transuranic Hybrid Materials: Crystallographic and Computational Metrics of Supramolecular Assembly.","Journal of the American Chemical Society","2017","","","","","10.1021/jacs.7b05689","","x-ray","0.71073","MoKα","","0.0321","0.0208","","","0.0467","0.0512","","","","","","1.055","","","","has coordinates","199346","2020-10-21","18:00:00",""
"4126315","15.8025","0.0011","6.7045","0.0005","9.1106","0.0006","90","","105.384","0.002","90","","930.66","0.11","296","2","296","2","","","","","","","","6","C 1 2/m 1","-C 2y","12","","","","- C10 H10 Cl6 N2 O2 Pu -","- C10 H10 Cl5.998 N2 O2 Pu -","- C20 H20 Cl11.996 N4 O4 Pu2 -","2","0.25","","Surbella, Robert G.; Ducati, Lucas Colucci; Pellegrini, Kristi L.; McNamara, Bruce K.; Autschbach, Jochen; Schwantes, Jon Michael; Cahill, Christopher L.","Transuranic Hybrid Materials: Crystallographic and Computational Metrics of Supramolecular Assembly.","Journal of the American Chemical Society","2017","","","","","10.1021/jacs.7b05689","","x-ray","0.56086","AgKα","","0.0412","0.0322","","","0.0671","0.0697","","","","","","1.082","","","","has coordinates,has disorder","199346","2020-10-21","18:00:00",""
"4126316","16.1488","0.0009","8.734","0.0005","6.7757","0.0004","90","","101.912","0.002","90","","935.09","0.09","296","2","296","2","","","","","","","","7","C 1 2/m 1","-C 2y","12","","","","- C10 H10 Br2 Cl4 N2 O2 Pu -","- C10 H10 Br2 Cl4 N2 O2 Pu -","- C20 H20 Br4 Cl8 N4 O4 Pu2 -","2","0.25","","Surbella, Robert G.; Ducati, Lucas Colucci; Pellegrini, Kristi L.; McNamara, Bruce K.; Autschbach, Jochen; Schwantes, Jon Michael; Cahill, Christopher L.","Transuranic Hybrid Materials: Crystallographic and Computational Metrics of Supramolecular Assembly.","Journal of the American Chemical Society","2017","","","","","10.1021/jacs.7b05689","","x-ray","0.56086","AgKα","","0.0176","0.0176","","","0.0423","0.0423","","","","","","1.068","","","","has coordinates","199346","2020-10-21","18:00:00",""
"4126317","16.4644","0.0011","8.7019","0.0005","6.8794","0.0005","90","","102.267","0.002","90","","963.12","0.11","296","2","296","2","","","","","","","","7","C 1 2/m 1","-C 2y","12","","","","- C10 H10 Cl4 I2 N2 O2 Pu -","- C10 H10 Cl4 I2 N2 O2 Pu -","- C20 H20 Cl8 I4 N4 O4 Pu2 -","2","0.25","","Surbella, Robert G.; Ducati, Lucas Colucci; Pellegrini, Kristi L.; McNamara, Bruce K.; Autschbach, Jochen; Schwantes, Jon Michael; Cahill, Christopher L.","Transuranic Hybrid Materials: Crystallographic and Computational Metrics of Supramolecular Assembly.","Journal of the American Chemical Society","2017","","","","","10.1021/jacs.7b05689","","x-ray","0.56086","AgKα","","0.021","0.0202","","","0.0512","0.0517","","","","","","1.107","","","","has coordinates","199346","2020-10-21","18:00:00",""
"4126318","15.705","0.004","6.5663","0.0018","9.05","0.003","90","","105.538","0.003","90","","899.2","0.4","110","2","110","2","","","","","","","","6","C 1 2/m 1","-C 2y","12","","","","- C10 H10 Cl6 N2 Np O2 -","- C10 H10 Cl6 N2 Np O2 -","- C20 H20 Cl12 N4 Np2 O4 -","2","0.25","","Surbella, Robert G.; Ducati, Lucas Colucci; Pellegrini, Kristi L.; McNamara, Bruce K.; Autschbach, Jochen; Schwantes, Jon Michael; Cahill, Christopher L.","Transuranic Hybrid Materials: Crystallographic and Computational Metrics of Supramolecular Assembly.","Journal of the American Chemical Society","2017","","","","","10.1021/jacs.7b05689","","x-ray","0.71073","MoKα","","0.0189","0.0189","","","0.0394","0.0394","","","","","","1.06","","","","has coordinates","199346","2020-10-21","18:00:00",""
"4126319","15.715","0.002","8.6156","0.0011","6.874","0.0009","90","","102.349","0.001","90","","909.2","0.2","110","2","110","2","","","","","","","","7","C 1 2/m 1","-C 2y","12","","","","- C10 H10 Br2 Cl4 N2 Np O2 -","- C10 H10 Br2 Cl4 N2 Np O2 -","- C20 H20 Br4 Cl8 N4 Np2 O4 -","2","0.25","","Surbella, Robert G.; Ducati, Lucas Colucci; Pellegrini, Kristi L.; McNamara, Bruce K.; Autschbach, Jochen; Schwantes, Jon Michael; Cahill, Christopher L.","Transuranic Hybrid Materials: Crystallographic and Computational Metrics of Supramolecular Assembly.","Journal of the American Chemical Society","2017","","","","","10.1021/jacs.7b05689","","x-ray","0.71073","MoKα","","0.0142","0.0133","","","0.0292","0.0297","","","","","","1.064","","","","has coordinates","199346","2020-10-21","18:00:00",""
"4126320","16.084","0.004","8.61","0.002","6.9394","0.0018","90","","103.004","0.003","90","","936.3","0.4","110","2","110","2","","","","","","","","7","C 1 2/m 1","-C 2y","12","","","","- C10 H10 Cl4 I2 N2 Np O2 -","- C10 H10 Cl4 I2 N2 Np O2 -","- C20 H20 Cl8 I4 N4 Np2 O4 -","2","0.25","","Surbella, Robert G.; Ducati, Lucas Colucci; Pellegrini, Kristi L.; McNamara, Bruce K.; Autschbach, Jochen; Schwantes, Jon Michael; Cahill, Christopher L.","Transuranic Hybrid Materials: Crystallographic and Computational Metrics of Supramolecular Assembly.","Journal of the American Chemical Society","2017","","","","","10.1021/jacs.7b05689","","x-ray","0.71073","MoKα","","0.0233","0.0198","","","0.0409","0.0425","","","","","","1.14","","","","has coordinates","199346","2020-10-21","18:00:00",""
"4126321","12.281","0.0006","20.641","0.001","21.993","0.001","90","","90","","90","","5575.1","0.5","293","2","293","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","Keinan-70","","","- C44 H62 Cl2 N32 O16 -","- C44 H62 Cl2 N32 O16 -","- C176 H248 Cl8 N128 O64 -","4","0.5","","Reany, Ofer; Li, Amanda; Yefet, Maayan; Gilson, Michael K.; Keinan, Ehud","Attractive Interactions between Heteroallenes and the Cucurbituril Portal.","Journal of the American Chemical Society","2017","139","24","8138","8145","10.1021/jacs.6b13005","","","0.71073","MoKα","","0.0435","0.0389","","","0.1081","0.1112","","","","","","1.059","","","","has coordinates","199522","2020-10-21","18:00:00",""
"4126322","11.2513","0.0009","15.1785","0.0012","46.44","0.004","90","","96.374","0.004","90","","7881.9","1.1","100","2","100","","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C44 H46 Br2 Fe N2 P4 -","- C44 H46 Br2 Fe N2 P4 -","- C352 H368 Br16 Fe8 N16 P32 -","8","2","","Prokopchuk, Demyan E.; Wiedner, Eric S.; Walter, Eric D.; Popescu, Codrina V.; Piro, Nicholas A.; Kassel, W. Scott; Bullock, R. Morris; Mock, Michael T.","Catalytic N2 Reduction to Silylamines and Thermodynamics of N2 Binding at Square Planar Fe.","Journal of the American Chemical Society","2017","139","27","9291","9301","10.1021/jacs.7b04552","","","0.71073","MoKα","","0.0863","0.0778","","","0.2221","0.2297","","","","","","1.057","","","","has coordinates","199523","2020-10-21","18:00:00",""
"4126323","20.499","0.008","22.937","0.007","23.325","0.01","74.83","0.02","83.7","0.04","80.25","0.05","10407","7","93","2","93","2","","","","","","","","5","P -1","-P 1","2","","","","- C174 H184 N12 Ni3 O2 -","- C174 H184 N12 Ni3 O2 -","- C348 H368 N24 Ni6 O4 -","2","1","","Fukui, Norihito; Kim, Taeyeon; Kim, Dongho; Osuka, Atsuhiro","Porphyrin Arch-Tapes: Synthesis, Contorted Structures, and Full Conjugation.","Journal of the American Chemical Society","2017","139","26","9075","9088","10.1021/jacs.7b05332","","","1.54187","CuKα","","0.158","0.0994","","","0.2642","0.2898","","","","","","1.06","","","","has coordinates","199524","2020-10-21","18:00:00",""
"4126324","5.7041","0.0007","7.4617","0.0009","35.703","0.005","90","","90","","90","","1519.6","0.3","100","2","100","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C17 H16 Br F O3 -","- C17 H16 Br F O3 -","- C68 H64 Br4 F4 O12 -","4","1","","van der Mei, Farid W.; Qin, Changming; Morrison, Ryan J.; Hoveyda, Amir H.","Practical, Broadly Applicable, α-Selective, Z-Selective, Diastereoselective, and Enantioselective Addition of Allylboron Compounds to Mono-, Di-, Tri-, and Polyfluoroalkyl Ketones.","Journal of the American Chemical Society","2017","139","26","9053","9065","10.1021/jacs.7b05011","","","0.71073","MoKα","","0.0434","0.0389","","","0.0901","0.0918","","","","","","1.113","","","","has coordinates","199525","2020-10-21","18:00:00",""
"4126325","18.508","0.003","29.695","0.005","18.979","0.004","90","","100.017","0.015","90","","10272","3","100","2","100","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C102 H130 Co3 N6 Na6 O18 -","- C102 H130 Co3 N6 Na6 O18 -","- C408 H520 Co12 N24 Na24 O72 -","4","0.5","","Andrez, Julie; Guidal, Valentin; Scopelliti, Rosario; Pécaut, Jacques; Gambarelli, Serge; Mazzanti, Marinella","Ligand and Metal Based Multielectron Redox Chemistry of Cobalt Supported by Tetradentate Schiff Bases.","Journal of the American Chemical Society","2017","139","25","8628","8638","10.1021/jacs.7b03604","","","0.71073","MoKα","","0.1759","0.0852","","","0.1666","0.2108","","","","","","1.083","","","","has coordinates","199526","2020-10-21","18:00:00",""
"4126326","42.558","0.006","7.4566","0.001","15.434","0.002","90","","99.516","0.003","90","","4830.4","1.1","293","2","293","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C31 H24 N2 O -","- C31 H24 N2 O -","- C248 H192 N16 O8 -","8","1","","Zhang, Wen; Chen, Pinhong; Liu, Guosheng","Copper-Catalyzed Arylation of Benzylic C-H bonds with Alkylarenes as the Limiting Reagents.","Journal of the American Chemical Society","2017","139","23","7709","7712","10.1021/jacs.7b03781","","","0.71073","MoKα","","0.0754","0.0528","","","0.1356","0.1494","","","","","","1.034","","","","has coordinates","199527","2020-10-21","18:00:00",""
"4126327","32.059","0.002","12.5985","0.0008","21.8637","0.0012","90","","104.459","0.003","90","","8550.9","0.9","143","2","143","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","[Co(TBDAP)(OOCH3CH2CONO)](BPh4)","","","- C49 H57 B Co N5 O2 -","- C49 H57 B Co N5 O2 -","- C392 H456 B8 Co8 N40 O16 -","8","1","","Noh, Hyeonju; Jeong, Donghyun; Ohta, Takehiro; Ogura, Takashi; Valentine, Joan Selverstone; Cho, Jaeheung","Distinct Reactivity of a Mononuclear Peroxocobalt(III) Species toward Activation of Nitriles.","Journal of the American Chemical Society","2017","","","","","10.1021/jacs.7b04479","","","0.71073","MoKa","","0.1172","0.0549","","","0.1351","0.1761","","","","","","1.014","","","","has coordinates","199529","2020-10-21","18:00:00",""
"4126328","7.2193","0.0004","6.1407","0.0004","13.5485","0.0007","90","","92.901","0.005","90","","599.86","0.06","98","","98","","","","","","","","","3","P 1 21 1","P 2yb","4","","","","- C12 H22 O2 -","- C12 H22 O2 -","- C24 H44 O4 -","2","1","","Jin, Shengfei; Nguyen, Vu T.; Dang, Hang T.; Nguyen, Dat P.; Arman, Hadi D.; Larionov, Oleg V.","Photoinduced Carboborative Ring Contraction Enables Regio- and Stereoselective Synthesis of Multiply Substituted Five-Membered Carbocycles and Heterocycles.","Journal of the American Chemical Society","2017","","","","","10.1021/jacs.7b07128","","x-ray","0.71073","MoKα","","0.0383","0.0368","","","0.0925","0.0937","","","","","","1.025","","","","has coordinates","199706","2020-10-21","18:00:00",""
"4126329","8.7558","0.0003","11.1462","0.0004","21.2016","0.0007","90","","90","","90","","2069.15","0.12","293","","292.7","","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C26 H23 N2 O -","- C27 H23 N O -","- C108 H92 N4 O4 -","4","1","","Li, Zhanyu; Zhao, Jinbo; Sun, Baozhen; Zhou, Tingting; Liu, Mingzhu; Liu, Shuang; Zhang, Mengru; Zhang, Qian","Asymmetric Nitrone Synthesis via Ligand-Enabled Copper-Catalyzed Cope-Type Hydroamination of Cyclopropene with Oxime.","Journal of the American Chemical Society","2017","","","","","10.1021/jacs.7b06523","","","1.54178","CuKα","","0.0468","0.043","","","0.1055","0.1094","","","","","","1.067","","","","has coordinates","199858","2020-10-21","18:00:00",""
"4126330","23.694","0.005","25.662","0.005","38.749","0.008","90","","91.82","0.03","90","","23549","8","100","2","100","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C138 H333 Ge27 P3 Si36 -","- C138 H333 Ge27 P3 Si36 -","- C552 H1332 Ge108 P12 Si144 -","4","1","","Geitner, Felix S.; Dums, Jasmin V.; Fässler, Thomas F","Derivatization of Phosphine Ligands with Bulky Deltahedral Zintl Clusters-Synthesis of Charge Neutral Zwitterionic Tetrel Cluster Compounds [(Ge9{Si(TMS)3}2)(t)Bu2P]M(NHC(Dipp)) (M: Cu, Ag, Au).","Journal of the American Chemical Society","2017","","","","","10.1021/jacs.7b05834","","","0.71073","MoKα","","0.0807","0.0499","","","0.1114","0.128","","","","","","1.032","","","","has coordinates,has disorder","199904","2020-10-21","18:00:00",""
"4126331","10.612","0.003","19.721","0.005","14.299","0.003","90","","132.356","0.013","90","","2211.4","1.1","296","2","296","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C21 H24 B10 O -","- C21 H24 B10 O -","- C84 H96 B40 O4 -","4","1","","Zhang, Xiaolei; Zheng, Hongning; Li, Jie; Xu, Fei; Zhao, Jing; Yan, Hong","Selective Catalytic B-H Arylation of o-Carboanyl Aldehydes by a Transient Directing Strategy.","Journal of the American Chemical Society","2017","","","","","10.1021/jacs.7b07160","","","0.71073","MoKα","","0.1054","0.0701","","","0.1283","0.1334","","","","","","1.897","","","","has coordinates","199930","2020-10-21","18:00:00",""
"4126332","10.5635","0.0007","13.8678","0.0009","18.2585","0.0012","90","","94.633","0.001","90","","2666","0.3","296","2","296","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C25 H28 B10 O5 -","- C25 H28 B10 O5 -","- C100 H112 B40 O20 -","4","2","","Zhang, Xiaolei; Zheng, Hongning; Li, Jie; Xu, Fei; Zhao, Jing; Yan, Hong","Selective Catalytic B-H Arylation of o-Carboanyl Aldehydes by a Transient Directing Strategy.","Journal of the American Chemical Society","2017","","","","","10.1021/jacs.7b07160","","","0.71073","MoKα","","0.0335","0.0314","","","0.0819","0.0832","","","","","","1.039","","","","has coordinates","199930","2020-10-21","18:00:00",""
"4126333","6.8465","0.0015","20.956","0.005","13.704","0.003","90","","93.307","0.007","90","","1962.9","0.8","296","2","296","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C16 H19 B10 N O -","- C16 H19 B10 N O -","- C64 H76 B40 N4 O4 -","4","1","","Zhang, Xiaolei; Zheng, Hongning; Li, Jie; Xu, Fei; Zhao, Jing; Yan, Hong","Selective Catalytic B-H Arylation of o-Carboanyl Aldehydes by a Transient Directing Strategy.","Journal of the American Chemical Society","2017","","","","","10.1021/jacs.7b07160","","","0.71073","MoKα","","0.146","0.0612","","","0.1141","0.1408","","","","","","1.028","","","","has coordinates,has disorder","199930","2020-10-21","18:00:00",""
"4126334","19.016","0.0013","13.826","0.001","20.5909","0.001","90","","90","","90","","5413.7","0.6","173","2","173","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C18 H34 B20 O -","- C18 H34 B20 O -","- C144 H272 B160 O8 -","8","1","","Zhang, Xiaolei; Zheng, Hongning; Li, Jie; Xu, Fei; Zhao, Jing; Yan, Hong","Selective Catalytic B-H Arylation of o-Carboanyl Aldehydes by a Transient Directing Strategy.","Journal of the American Chemical Society","2017","","","","","10.1021/jacs.7b07160","","","0.71073","MoKα","","0.1066","0.0616","","","0.1683","0.191","","","","","","1.052","","","","has coordinates","199930","2020-10-21","18:00:00",""
"4126335","7.392","0.0007","10.1949","0.001","12.291","0.0012","77.528","0.003","85.635","0.004","89.07","0.003","901.78","0.15","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C15 H21 B10 N O -","- C15 H21 B10 N O -","- C30 H42 B20 N2 O2 -","2","1","","Zhang, Xiaolei; Zheng, Hongning; Li, Jie; Xu, Fei; Zhao, Jing; Yan, Hong","Selective Catalytic B-H Arylation of o-Carboanyl Aldehydes by a Transient Directing Strategy.","Journal of the American Chemical Society","2017","","","","","10.1021/jacs.7b07160","","","0.71073","MoKα","","0.0763","0.0733","","","0.1976","0.1983","","","","","","1.151","","","","has coordinates","199930","2020-10-21","18:00:00",""
"4126336","12.972","0.0006","16.8146","0.0007","16.0817","0.0007","90","","110.453","0.001","90","","3286.6","0.3","173","2","173","2","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C33 H34 B10 N O P Pd -","- C33 H34 B10 N O P Pd -","- C132 H136 B40 N4 O4 P4 Pd4 -","4","1","","Zhang, Xiaolei; Zheng, Hongning; Li, Jie; Xu, Fei; Zhao, Jing; Yan, Hong","Selective Catalytic B-H Arylation of o-Carboanyl Aldehydes by a Transient Directing Strategy.","Journal of the American Chemical Society","2017","","","","","10.1021/jacs.7b07160","","","0.71073","MoKα","","0.064","0.0378","","","0.0774","0.0838","","","","","","1.001","","","","has coordinates","199930","2020-10-21","18:00:00",""
"4126337","9.1358","0.0005","17.7649","0.0009","15.1504","0.0007","90","","98.759","0.002","90","","2430.2","0.2","223","2","223","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C25 H42 Fe N2 -","- C25 H42 Fe N2 -","- C100 H168 Fe4 N8 -","4","1","","Jacobs, Brian P.; Wolczanski, Peter T.; Jiang, Quan; Cundari, Thomas R.; MacMillan, Samantha N.","Rare Examples of Fe(IV) Alkyl-Imide Migratory Insertions: Impact of Fe-C Covalency in (Me2IPr)Fe(=NAd)R2 (R = (neo)Pe, 1-nor).","Journal of the American Chemical Society","2017","","","","","10.1021/jacs.7b06960","","","0.71073","MoKα","","0.0697","0.0427","","","0.0984","0.1114","","","","","","1.028","","","","has coordinates,has disorder","199973","2020-10-21","18:00:00",""
"4126338","15.8086","0.0004","15.8086","0.0004","11.7043","0.0003","90","","90","","90","","2925.04","0.13","100.15","","100.15","","","","","","","","","4","P 41","P 4w","76","","","","- C31 H43 B N4 -","- C31 H43 B N4 -","- C124 H172 B4 N16 -","4","1","","Chen, Wen-Ching; Shih, Wei-Chih; Jurca, Titel; Zhao, Lili; Andrada, Diego M.; Peng, Chun-Jung; Chang, Chun-Chi; Liu, Shu-Kai; Wang, Yi-Ping; Wen, Yuh-Sheng; Yap, Glenn P. A.; Hsu, Chao-Ping; Frenking, Gernot; Ong, Tiow-Gan","Carbodicarbenes: Unexpected π-Accepting Ability during Re-activity with Small Molecules.","Journal of the American Chemical Society","2017","","","","","10.1021/jacs.7b08031","","","0.71073","MoKα","","0.0374","0.0328","","","0.0793","0.0833","","","","","","1.0468","","","","has coordinates","278046","2022-09-21","15:45:41",""
"4126339","23.985","0.003","23.985","0.003","89.175","0.018","90","","90","","90","","51301","14","100","2","100","2","","","","","","","","8","P 41 21 2","P 4abw 2nw","92","","","","- C96 H239 Br12 K2 O180.5 P2 Ta6 W18 -","- C96 H160 Br12 K1.5 O148 P2 Ta6 W18 -","- C768 H1280 Br96 K12 O1184 P16 Ta48 W144 -","8","1","","Moussawi, Mhamad Aly; Leclerc-Laronze, Nathalie; Floquet, Sébastien; Abramov, Pavel A.; Sokolov, Maxim Nailyevich; Cordier, Stephane; Ponchel, Anne; Monflier, Eric; Bricout, Herve; Landy, David; Haouas, Mohamed; Marrot, Jerome; Cadot, Emmanuel","Polyoxometalate, Cationic Cluster and γ-Cyclodextrin. From Primary Interactions to Supramolecular Hybrid Materials.","Journal of the American Chemical Society","2017","","","","","10.1021/jacs.7b07317","","","0.72931","synchrotron","","0.1561","0.1025","","","0.2349","0.2802","","","","","","1.012","","","","has coordinates,has disorder","200094","2020-10-21","18:00:00",""
"4126340","21.1963","0.0004","21.1963","0.0004","35.505","0.0017","90","","90","","120","","13814.7","0.8","200","2","200","2","","","","","","","","8","P 3 2 1","P 3 2""","150","","","","- C144 H310 K1.5 Na0.5 O217 P2 Rb4 W18 -","- C144 K0.5 Na0.5 O207.5 P2 Rb3 W18 -","- C288 K Na O415 P4 Rb6 W36 -","2","0.333333","","Moussawi, Mhamad Aly; Leclerc-Laronze, Nathalie; Floquet, Sébastien; Abramov, Pavel A.; Sokolov, Maxim Nailyevich; Cordier, Stephane; Ponchel, Anne; Monflier, Eric; Bricout, Herve; Landy, David; Haouas, Mohamed; Marrot, Jerome; Cadot, Emmanuel","Polyoxometalate, Cationic Cluster and γ-Cyclodextrin. From Primary Interactions to Supramolecular Hybrid Materials.","Journal of the American Chemical Society","2017","","","","","10.1021/jacs.7b07317","","","0.71073","MoKα","","0.0778","0.0492","","","0.1282","0.1456","","","","","","1.017","","","","has coordinates","200095","2020-10-21","18:00:00",""
"4126341","23.8984","0.0011","23.8984","0.0011","34.8186","0.0019","90","","90","","90","","19886.1","1.7","200","2","200","2","","","","","","","","5","I 4 2 2","I 4 2","97","","","","- C96 H200 Br14 O100 Ta6 -","- C96 H160 Br14 O86 Ta6 -","- C384 H640 Br56 O344 Ta24 -","4","0.25","","Moussawi, Mhamad Aly; Leclerc-Laronze, Nathalie; Floquet, Sébastien; Abramov, Pavel A.; Sokolov, Maxim Nailyevich; Cordier, Stephane; Ponchel, Anne; Monflier, Eric; Bricout, Herve; Landy, David; Haouas, Mohamed; Marrot, Jerome; Cadot, Emmanuel","Polyoxometalate, Cationic Cluster and γ-Cyclodextrin. From Primary Interactions to Supramolecular Hybrid Materials.","Journal of the American Chemical Society","2017","","","","","10.1021/jacs.7b07317","","","0.71073","MoKα","","0.0997","0.0717","","","0.1883","0.2121","","","","","","1.143","","","","has coordinates,has disorder","200096","2020-10-21","18:00:00",""
"4126342","17.671","0.004","24.533","0.005","40.756","0.008","90","","90","","90","","17669","6","100","2","100","2","","","","","","","","8","P 21 21 21","P 2ac 2ab","19","","","","- C48 H116 Cl3.5 K Na8.5 O120 P2 W18 -","- C48 Cl1.5 K Na O106 P2 W18 -","- C192 Cl6 K4 Na4 O424 P8 W72 -","4","1","","Moussawi, Mhamad Aly; Leclerc-Laronze, Nathalie; Floquet, Sébastien; Abramov, Pavel A.; Sokolov, Maxim Nailyevich; Cordier, Stephane; Ponchel, Anne; Monflier, Eric; Bricout, Herve; Landy, David; Haouas, Mohamed; Marrot, Jerome; Cadot, Emmanuel","Polyoxometalate, Cationic Cluster and γ-Cyclodextrin. From Primary Interactions to Supramolecular Hybrid Materials.","Journal of the American Chemical Society","2017","","","","","10.1021/jacs.7b07317","","","0.72925","synchrotron","","0.1414","0.0973","","","0.2362","0.2925","","","","","","1.032","","","","has coordinates","200097","2020-10-21","18:00:00",""
"4126343","17.2589","0.0016","31.374","0.003","41.297","0.003","90","","90","","90","","22362","3","200","2","200","2","","","","","","","","8","P 21 21 21","P 2ac 2ab","19","","","","- C96 H206 Cl1.2 Cs Na6.2 O165 P2 W18 -","- C96 Cl Cs Na3 O151 P2 W18 -","- C384 Cl4 Cs4 Na12 O604 P8 W72 -","4","1","","Moussawi, Mhamad Aly; Leclerc-Laronze, Nathalie; Floquet, Sébastien; Abramov, Pavel A.; Sokolov, Maxim Nailyevich; Cordier, Stephane; Ponchel, Anne; Monflier, Eric; Bricout, Herve; Landy, David; Haouas, Mohamed; Marrot, Jerome; Cadot, Emmanuel","Polyoxometalate, Cationic Cluster and γ-Cyclodextrin. From Primary Interactions to Supramolecular Hybrid Materials.","Journal of the American Chemical Society","2017","","","","","10.1021/jacs.7b07317","","","0.71073","MoKα","","0.1451","0.1302","","","0.31","0.3181","","","","","","1.109","","","","has coordinates","200098","2020-10-21","18:00:00",""
"4126344","37.987","0.005","40.925","0.005","9.9351","0.0013","90","","90","","90","","15445","3","100","2","100","2","","","","","","","","5","F d d 2","F 2 -2d","43","","","","- C44 H53 N3 P2 Ti -","- C44 H53 N3 P2 Ti -","- C704 H848 N48 P32 Ti16 -","16","1","","Baek, Seung-Yeol; Kurogi, Takashi; Kang, Dahye; Kamitani, Masahiro; Kwon, Seongyeon; Solowey, Douglas; Chen, Chun-Hsing; Pink, Maren; Carroll, Patrick J.; Mindiola, Daniel J.; Baik, Mu-Hyun","Room Temperature Ring-Opening of Quinoline, Isoquinoline and Pyridine with Low-Valent Titanium.","Journal of the American Chemical Society","2017","","","","","10.1021/jacs.7b07433","","","0.518","synchrotron","","0.1259","0.0808","","","0.1865","0.2122","","","","","","1.029","","","","has coordinates","200184","2020-10-21","18:00:00",""
"4126345","10.8721","0.0008","22.1655","0.0015","18.1546","0.0013","90","","97.314","0.004","90","","4339.4","0.5","100","","100","","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C48 H61 N3 O P2 Ti -","- C44 H53 N3 P2 Ti -","- C176 H212 N12 P8 Ti4 -","4","1","","Baek, Seung-Yeol; Kurogi, Takashi; Kang, Dahye; Kamitani, Masahiro; Kwon, Seongyeon; Solowey, Douglas; Chen, Chun-Hsing; Pink, Maren; Carroll, Patrick J.; Mindiola, Daniel J.; Baik, Mu-Hyun","Room Temperature Ring-Opening of Quinoline, Isoquinoline and Pyridine with Low-Valent Titanium.","Journal of the American Chemical Society","2017","","","","","10.1021/jacs.7b07433","","","0.71073","MoKα","","0.1116","0.0525","","","0.1236","0.1504","","","","","","1.008","","","","has coordinates,has disorder","200185","2020-10-21","18:00:00",""
"4126346","16.8988","0.0006","17.6408","0.0005","17.1083","0.0006","90","","118.417","0.002","90","","4485.6","0.3","100","","100","","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C50 H65 N3 P2 Ti -","- C36 H49 N3 P2 Ti -","- C144 H196 N12 P8 Ti4 -","4","1","","Baek, Seung-Yeol; Kurogi, Takashi; Kang, Dahye; Kamitani, Masahiro; Kwon, Seongyeon; Solowey, Douglas; Chen, Chun-Hsing; Pink, Maren; Carroll, Patrick J.; Mindiola, Daniel J.; Baik, Mu-Hyun","Room Temperature Ring-Opening of Quinoline, Isoquinoline and Pyridine with Low-Valent Titanium.","Journal of the American Chemical Society","2017","","","","","10.1021/jacs.7b07433","","","0.71073","MoKα","","0.0618","0.0494","","","0.1325","0.1394","","","","","","1.078","","","","has coordinates","200186","2020-10-21","18:00:00",""
"4126347","9.136","0.004","21.185","0.009","10.277","0.005","90","","103.143","0.005","90","","1937","1.5","110","","110","","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C10 H26 Cl5 Cr N3 -","- C10 H26 Cl5 Cr N3 -","- C40 H104 Cl20 Cr4 N12 -","4","1","","Murai, Masahito; Taniguchi, Ryuji; Hosokawa, Naoki; Nishida, Yusuke; Mimachi, Hiroko; Oshiki, Toshiyuki; Takai, Kazuhiko","Structural Characterization and Unique Catalytic Performance of Silyl Group-Substituted Geminal Dichromiomethane Complexes Stabilized with a Diamine Ligand.","Journal of the American Chemical Society","2017","","","","","10.1021/jacs.7b07487","","","0.71075","MoKα","","0.0707","0.0658","","","0.1064","0.1087","","","","","","1.159","","","","has coordinates","200187","2020-10-21","18:00:00",""
"4126348","11.811","0.002","12.446","0.003","19.352","0.004","90","","95.754","0.01","90","","2830.4","1","273","","173","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C29 H36 Cu F3 N2 -","- C29 H36 Cu F3 N2 -","- C116 H144 Cu4 F12 N8 -","4","1","","Sakaguchi, Hironobu; Uetake, Yuta; Ohashi, Masato; Niwa, Takashi; Ogoshi, Sensuke; Hosoya, Takamitsu","Copper-Catalyzed Regioselective Monodefluoroborylation of Polyfluoroalkenes En Route to Diverse Fluoroalkenes.","Journal of the American Chemical Society","2017","","","","","10.1021/jacs.7b08343","","","0.71075","MoKα","","0.1252","0.0723","","","0.132","0.1535","","","","","","1.092","","","","has coordinates","200188","2020-10-21","18:00:00",""
"4126349","12.0514","0.0001","7.8496","0.0001","20.9052","0.0002","90","","104.875","0.001","90","","1911.33","0.04","100","0.1","100","0.1","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C26 H23 N O2 -","- C26 H23 N O2 -","- C104 H92 N4 O8 -","4","1","","Halabi, Elias A.; Thiel, Zacharias; Trapp, Nils; Pinotsi, Dorothea; Rivera-Fuentes, Pablo","A Photoactivatable Probe for Super-Resolution Imaging of Enzymatic Activity in Live Cells.","Journal of the American Chemical Society","2017","","","","","10.1021/jacs.7b07748","","x-ray","1.54184","CuKα","","0.0522","0.0467","","","0.1357","0.1407","","","","","","1.071","","","","has coordinates","200227","2020-10-21","18:00:00",""
"4126350","8.296","0.0001","16.6872","0.0001","33.1607","0.0003","90","","90","","90","","4590.67","0.07","100","0.1","100","0.1","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C29 H23 N3 O4 -","- C29 H23 N3 O4 -","- C232 H184 N24 O32 -","8","1","","Halabi, Elias A.; Thiel, Zacharias; Trapp, Nils; Pinotsi, Dorothea; Rivera-Fuentes, Pablo","A Photoactivatable Probe for Super-Resolution Imaging of Enzymatic Activity in Live Cells.","Journal of the American Chemical Society","2017","","","","","10.1021/jacs.7b07748","","x-ray","1.54184","CuKα","","0.0625","0.0548","","","0.1415","0.1469","","","","","","1.075","","","","has coordinates,has disorder","200228","2020-10-21","18:00:00",""
"4126351","10.0761","0.0001","11.0325","0.0001","12.3888","0.0001","66.273","0.001","88.093","0.001","64.57","0.001","1122.3","0.02","100","0.1","100","0.1","","","","","","","","4","P -1","-P 1","2","","","","- C29 H23 N3 O4 -","- C29 H23 N3 O4 -","- C58 H46 N6 O8 -","2","1","","Halabi, Elias A.; Thiel, Zacharias; Trapp, Nils; Pinotsi, Dorothea; Rivera-Fuentes, Pablo","A Photoactivatable Probe for Super-Resolution Imaging of Enzymatic Activity in Live Cells.","Journal of the American Chemical Society","2017","","","","","10.1021/jacs.7b07748","","x-ray","1.54184","CuKα","","0.0571","0.0521","","","0.1444","0.1486","","","","","","1.046","","","","has coordinates,has disorder","200229","2020-10-21","18:00:00",""
"4126352","14.2012","0.0008","10.1164","0.0005","13.3572","0.0007","90","","94.624","0.003","90","","1912.72","0.18","100","2","100","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","SK-V-166","","","- C19 H23 N3 O6 -","- C19 H23 N3 O6 -","- C76 H92 N12 O24 -","4","1","","Shen, Kun; Wang, Qiu","Copper-Catalyzed Alkene Aminoazidation as a Rapid Entry to 1,2-Diamines and Installation of an Azide Reporter onto Azahetereocycles.","Journal of the American Chemical Society","2017","","","","","10.1021/jacs.7b06852","","","0.71073","MoKα","","0.0696","0.0431","","","0.1007","0.1143","","","","","","1.043","","","","has coordinates","200230","2020-10-21","18:00:00",""
"4126353","5.7744","0.0001","34.6741","0.0008","7.5977","0.0002","90","","105.792","0.0013","90","","1463.81","0.06","100","2","100","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","sk-IV-191","","","- C16 H18 N4 O2 -","- C16 H18 N4 O2 -","- C64 H72 N16 O8 -","4","1","","Shen, Kun; Wang, Qiu","Copper-Catalyzed Alkene Aminoazidation as a Rapid Entry to 1,2-Diamines and Installation of an Azide Reporter onto Azahetereocycles.","Journal of the American Chemical Society","2017","","","","","10.1021/jacs.7b06852","","","0.71073","MoKα","","0.0696","0.0534","","","0.1232","0.1307","","","","","","1.099","","","","has coordinates,has disorder","200231","2020-10-21","18:00:00",""
"4126354","16.6582","0.0011","11.872","0.0008","10.1303","0.0006","90","","107.307","0.003","90","","1912.7","0.2","100","2","100","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","sk-V-148","","","- C19 H28 N2 O4 -","- C19 H28 N2 O4 -","- C76 H112 N8 O16 -","4","1","","Shen, Kun; Wang, Qiu","Copper-Catalyzed Alkene Aminoazidation as a Rapid Entry to 1,2-Diamines and Installation of an Azide Reporter onto Azahetereocycles.","Journal of the American Chemical Society","2017","","","","","10.1021/jacs.7b06852","","","0.71073","MoKα","","0.0535","0.0384","","","0.1","0.1102","","","","","","1.026","","","","has coordinates","200232","2020-10-21","18:00:00",""
"4126355","27.279","0.0008","27.279","0.0008","84.656","0.005","90","","90","","120","","54556","4","295.01","0.1","295.01","0.1","","","","","","","","6","R -3 :H","-R 3","148","","","","- C408 H384 Cl18 N72 Nd8 O120 -","- C408 H384 Cl18 N72 Nd8 O120 -","- C1224 H1152 Cl54 N216 Nd24 O360 -","3","0.166667","","Li, Xiao-Zhen; Zhou, Li-Peng; Yan, Liang-Liang; Yuan, Da-Qiang; Lin, Chen-Sheng; Sun, Qing-Fu","Evolution of Luminescent Supramolecular Lanthanide M2nL3n Complexes from Helicates and Tetrahedra to Cubes.","Journal of the American Chemical Society","2017","139","24","8237","8244","10.1021/jacs.7b02764","","x-ray","1.54184","CuKα","","0.2032","0.114","","","0.3177","0.4103","","","","","","0.97","","","","has coordinates","200234","2020-10-21","18:00:00",""
"4126356","14.414","0.0005","5.522","0.0002","28.116","0.0014","90","","113.245","0.0014","90","","2056.21","0.15","293","2","293","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","Marek108 (Fa-Guang)","","","- C23 H25 N O4 -","- C23 H25 N O4 -","- C92 H100 N4 O16 -","4","1","","Zhang, Fa-Guang; Marek, Ilan","Brook Rearrangement as Trigger for Carbene Generation: Synthesis of Stereodefined and Fully Substituted Cyclobutenes.","Journal of the American Chemical Society","2017","139","24","8364","8370","10.1021/jacs.7b04255","","","0.71073","MoKα","","0.141","0.1236","","","0.3569","0.3688","","","","","","1.151","","","","has coordinates","200235","2020-10-21","18:00:00",""
"4126357","19.4525","0.0006","19.4525","0.0006","11.7848","0.0002","90","","90","","120","","3861.92","0.18","93","","93","","","","","","","","","5","P 63","P 6c","173","","","","- C21 H23 Cl2 N3 O3 -","- C21 H23 Cl2 N3 O3 -","- C126 H138 Cl12 N18 O18 -","6","1","","Sun, Bo; Balaji, Pandur Venkatesan; Kumagai, Naoya; Shibasaki, Masakatsu","α-Halo Amides as Competent Latent Enolates: Direct Catalytic Asymmetric Mannich-Type Reaction.","Journal of the American Chemical Society","2017","139","24","8295","8301","10.1021/jacs.7b03291","","","1.54187","CuKα","","0.0533","0.0478","","","0.1121","0.1156","","","","","","1.021","","","","has coordinates","200236","2020-10-21","18:00:00",""
"4126358","11.3109","0.0002","16.8486","0.0003","21.942","0.0004","90","","90","","90","","4181.55","0.13","93","","93","","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C21 H30 Cl N3 O3 -","- C21 H30 Cl N3 O3 -","- C168 H240 Cl8 N24 O24 -","8","2","","Sun, Bo; Balaji, Pandur Venkatesan; Kumagai, Naoya; Shibasaki, Masakatsu","α-Halo Amides as Competent Latent Enolates: Direct Catalytic Asymmetric Mannich-Type Reaction.","Journal of the American Chemical Society","2017","139","24","8295","8301","10.1021/jacs.7b03291","","","1.54187","CuKα","","0.0759","0.0661","","","0.1236","0.1309","","","","","","1.067","","","","has coordinates","200237","2020-10-21","18:00:00",""
"4126359","14.5285","0.0004","14.8368","0.0004","14.9997","0.0005","100.432","0.003","104.367","0.003","92.736","0.002","3065.79","0.17","100.01","0.1","100.01","0.1","","","","","","","","6","P -1","-P 1","2","","","","- C62 H80 B2 Fe N10 O8 -","- C62 H80 B2 Fe N10 O8 -","- C124 H160 B4 Fe2 N20 O16 -","2","1","","Cecot, Giacomo; Marmier, Mathieu; Geremia, Silvano; De Zorzi, Rita; Vologzhanina, Anna V.; Pattison, Philip; Solari, Euro; Fadaei Tirani, Farzaneh; Scopelliti, Rosario; Severin, Kay","The Intricate Structural Chemistry of M(II)2nLn-Type Assemblies.","Journal of the American Chemical Society","2017","139","24","8371","8381","10.1021/jacs.7b04861","","x-ray","1.54184","CuKα","","0.063","0.0528","","","0.1353","0.1458","","","","","","1.023","","","","has coordinates,has disorder","200238","2020-10-21","18:00:00",""
"4126360","29.342","0.003","31.461","0.003","42.629","0.002","88.248","0.006","70.021","0.007","69.405","0.008","34440","6","140","0.1","140","2","","","","","","","","10","P -1","-P 1","2","","","","- C510 H582 B8 F30 Fe4 N42 O54 P16 Pt8 S10 -","- C509.6 H581 B8 F28.8 Fe4 N42 O52.8 P16 Pt8 S9.6 -","- C1019.2 H1162 B16 F57.6 Fe8 N84 O105.6 P32 Pt16 S19.2 -","2","1","","Cecot, Giacomo; Marmier, Mathieu; Geremia, Silvano; De Zorzi, Rita; Vologzhanina, Anna V.; Pattison, Philip; Solari, Euro; Fadaei Tirani, Farzaneh; Scopelliti, Rosario; Severin, Kay","The Intricate Structural Chemistry of M(II)2nLn-Type Assemblies.","Journal of the American Chemical Society","2017","139","24","8371","8381","10.1021/jacs.7b04861","","","1.54178","CuKα","","0.1684","0.123","","","0.3154","0.3573","","","","","","1.139","","","","has coordinates","200239","2020-10-21","18:00:00",""
"4126361","47.92","0.01","47.92","0.01","37.29","0.01","90","","90","","90","","85630","3","100","2","100","2","","","","","","","","10","P 42 n m","P 4n -2n","102","","","","- C430 H412 B8 F48 Fe4 N40 O72 P16 Pt8 S16 -","- C430 H412 B8 F48 Fe4 N40 O72 P16 Pt8 S16 -","- C1720 H1648 B32 F192 Fe16 N160 O288 P64 Pt32 S64 -","4","0.5","","Cecot, Giacomo; Marmier, Mathieu; Geremia, Silvano; De Zorzi, Rita; Vologzhanina, Anna V.; Pattison, Philip; Solari, Euro; Fadaei Tirani, Farzaneh; Scopelliti, Rosario; Severin, Kay","The Intricate Structural Chemistry of M(II)2nLn-Type Assemblies.","Journal of the American Chemical Society","2017","139","24","8371","8381","10.1021/jacs.7b04861","","","0.6971","","","0.1189","0.0948","","","0.2387","0.2617","","","","","","1.057","","","","has coordinates","200240","2020-10-21","18:00:00",""
"4126362","22.9158","0.0003","23.8401","0.0003","34.0163","0.0004","69.7864","0.0011","70.5451","0.0011","88.877","0.0009","16347.3","0.4","140","0.1","140","0.1","","","","","","","","6","P -1","-P 1","2","","","","- C144 H142 B4 N21 O18 Zn4 -","- C144 H142 B4 N21 O18 Zn4 -","- C576 H568 B16 N84 O72 Zn16 -","4","2","","Cecot, Giacomo; Marmier, Mathieu; Geremia, Silvano; De Zorzi, Rita; Vologzhanina, Anna V.; Pattison, Philip; Solari, Euro; Fadaei Tirani, Farzaneh; Scopelliti, Rosario; Severin, Kay","The Intricate Structural Chemistry of M(II)2nLn-Type Assemblies.","Journal of the American Chemical Society","2017","139","24","8371","8381","10.1021/jacs.7b04861","","x-ray","1.54184","CuKα","","0.0654","0.057","","","0.1563","0.1636","","","","","","1.038","","","","has coordinates,has disorder","200241","2020-10-21","18:00:00",""
"4126363","39.819","0.005","39.819","0.005","39.819","0.005","90","","90","","90","","63135","14","243","2","243","2","","","","","","","","5","P n -3 n","-P 4a 2bc 3","222","","","","- C600 H660 N54 O24 Zn6 -","- C600 H660 N54 O24 Zn6 -","- C1200 H1320 N108 O48 Zn12 -","2","","","Benke, Bahiru Punja; Aich, Pulakesh; Kim, Younghoon; Kim, Kyung Lock; Rohman, Md Rumum; Hong, Soonsang; Hwang, In-Chul; Lee, Eun Hui; Roh, Joon Ho; Kim, Kimoon","Iodide-Selective Synthetic Ion Channels Based on Shape-Persistent Organic Cages.","Journal of the American Chemical Society","2017","139","22","7432","7435","10.1021/jacs.7b02708","","","0.9","synchrotron","","0.1784","0.14","","","0.3715","0.4396","","","","","","1.548","","","","has coordinates,has disorder","200242","2020-10-21","18:00:00",""
"4126364","19.8599","0.0003","19.8599","0.0003","19.8599","0.0003","90","","90","","90","","7833.1","0.2","20","2","20","2","","","","","","","","2","P 21 3","P 2ac 2ab 3","198","","Tri(3,5-di-tert-butylphenyl)methane","","- C43 H64 -","- C43 H64 -","- C344 H512 -","8","0.666667","","Rösel, Sören; Quanz, Henrik; Logemann, Christian; Becker, Jonathan; Mossou, Estelle; Cañadillas-Delgado, Laura; Caldeweyher, Eike; Grimme, Stefan; Schreiner, Peter R.","London Dispersion Enables the Shortest Intermolecular Hydrocarbon H···H Contact.","Journal of the American Chemical Society","2017","139","22","7428","7431","10.1021/jacs.7b01879","","","1.1702","neutron","","0.0323","0.031","","","0.0659","0.0666","","","","","","1.144","","","","has coordinates","200243","2020-10-21","18:00:00",""
"4126365","7.6083","0.0002","24.5638","0.0006","14.4862","0.0004","90","","102.522","0.001","90","","2642.91","0.12","100","2","100","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","[Me2NNF6]Cu-C6F5","","- C27 H19 Cu F11 N2 -","- C27 H19 Cu F11 N2 -","- C108 H76 Cu4 F44 N8 -","4","1","","Kundu, Subrata; Greene, Christine; Williams, Kamille D.; Salvador, Tolani K.; Bertke, Jeffery A.; Cundari, Thomas R.; Warren, Timothy H.","Three-Coordinate Copper(II) Aryls: Key Intermediates in C-O Bond Formation.","Journal of the American Chemical Society","2017","139","27","9112","9115","10.1021/jacs.7b04046","","","0.71073","MoKα","","0.0388","0.0281","","","0.0744","0.0778","","","","","","1.067","","","","has coordinates","200244","2020-10-21","18:00:00",""
"4126366","5.96113","0.00009","18.7722","0.0003","14.4957","0.0002","90","","100.51","0.0008","90","","1594.9","0.04","173","2","173","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C19 H17 N3 O2 -","- C19 H17 N3 O2 -","- C76 H68 N12 O8 -","4","1","","Qian, Hai; Pramanik, Susnata; Aprahamian, Ivan","Photochromic Hydrazone Switches with Extremely Long Thermal Half-Lives.","Journal of the American Chemical Society","2017","139","27","9140","9143","10.1021/jacs.7b04993","","","1.54178","CuKα","","0.0436","0.0357","","","0.0894","0.0951","","","","","","1.032","","","","has coordinates","200245","2020-10-21","18:00:00",""
"4126367","9.9152","0.0012","11.9825","0.0014","14.1511","0.0017","92.263","0.003","107.127","0.003","91.127","0.003","1604.6","0.3","100","2","100","2","","","","","","","","4","P -1","-P 1","2","","","","- C36 H47 Ir P2 -","- C36 H47 Ir P2 -","- C72 H94 Ir2 P4 -","2","1","","Wilklow-Marnell, Miles; Li, Bo; Zhou, Tian; Krogh-Jespersen, Karsten; Brennessel, William W.; Emge, Thomas J.; Goldman, Alan S.; Jones, William D.","Catalytic Dehydrogenative C-C Coupling by a Pincer-Ligated Iridium Complex.","Journal of the American Chemical Society","2017","139","26","8977","8989","10.1021/jacs.7b03433","","","0.71073","MoKα","","0.074","0.0612","","","0.1449","0.1516","","","","","","1.039","","","","has coordinates","255805","2020-10-21","18:00:00",""
"4126368","6.0729","0.0003","8.3117","0.0005","30.5846","0.0017","90","","90","","90","","1543.79","0.15","100","","100","","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C16 H21 N O4 -","- C16 H21 N O4 -","- C64 H84 N4 O16 -","4","1","","Bartlett, Samuel L.; Sohtome, Yoshihiro; Hashizume, Daisuke; White, Peter S.; Sawamura, Miki; Johnson, Jeffrey S.; Sodeoka, Mikiko","Catalytic Enantioselective [3 + 2] Cycloaddition of α-Keto Ester Enolates and Nitrile Oxides.","Journal of the American Chemical Society","2017","139","25","8661","8666","10.1021/jacs.7b03782","","","1.54178","CuKα","","0.0323","0.032","","","0.0833","0.0835","","","","","","1.085","","","","has coordinates","200247","2020-10-21","18:00:00",""
"4126369","9.011","0.0009","10.8873","0.0011","17.883","0.002","98.641","0.008","90.004","0.008","112.949","0.007","1593.9","0.3","273","2","273","2","","","","","","","","6","P -1","-P 1","2","","","","- C33 H42 B F2 N6 O3 -","- C32.8 H39.8 B F2 N6 O3 -","- C65.6 H79.6 B2 F4 N12 O6 -","2","1","","Wang, Zhijia; Zhao, Jianzhang; Barbon, Antonio; Toffoletti, Antonio; Liu, Yan; An, Yonglin; Xu, Liang; Karatay, Ahmet; Yaglioglu, Halime Gul; Yildiz, Elif Akhüseyin; Hayvali, Mustafa","Radical-Enhanced Intersystem Crossing in New Bodipy Derivatives and Application for Efficient Triplet-Triplet Annihilation Upconversion.","Journal of the American Chemical Society","2017","139","23","7831","7842","10.1021/jacs.7b02063","","","0.71073","MoKα","","0.1389","0.0755","","","0.2102","0.246","","","","","","1.001","","","","has coordinates","200248","2020-10-21","18:00:00",""
"4126370","10.092","0.004","19.277","0.008","15.171","0.006","90","","90","","90","","2951","2","100","2","100","2","","","","","","","","8","I b a m","-I 2 2c","72","","","","- C20 H16 F6 N4 O6 S2 Si Zn -","- C20 H16 F6 N4 O6 S2 Si Zn -","- C80 H64 F24 N16 O24 S8 Si4 Zn4 -","4","0.25","","Lin, Rui-Biao; Li, Libo; Wu, Hui; Arman, Hadi; Li, Bin; Lin, Rong-Guang; Zhou, Wei; Chen, Banglin","Optimized Separation of Acetylene from Carbon Dioxide and Ethylene in a Microporous Material.","Journal of the American Chemical Society","2017","139","23","8022","8028","10.1021/jacs.7b03850","","","0.71073","MoKα","","0.0969","0.0891","","","0.2062","0.2116","","","","","","1.167","","","","has coordinates,has disorder","200249","2020-10-21","18:00:00",""
"4126371","30.22","0.002","30.22","0.002","34.323","0.006","90","","90","","90","","31345","6","173","2","173","2","","","","","","","","6","I 4/m","-I 4","87","","","","- C40 H20 Cu9 N20 O24 Zn6 -","- C40 H20 Cu9 N20 O24 Zn6 -","- C320 H160 Cu72 N160 O192 Zn48 -","8","0.5","","Tu, Binbin; Pang, Qingqing; Xu, Huoshu; Li, Xiaomin; Wang, Yulin; Ma, Zhen; Weng, Linhong; Li, Qiaowei","Reversible Redox Activity in Multicomponent Metal-Organic Frameworks Constructed from Trinuclear Copper Pyrazolate Building Blocks.","Journal of the American Chemical Society","2017","139","23","7998","8007","10.1021/jacs.7b03578","","","1.54178","CuKα","","0.1107","0.0881","","","0.2128","0.2247","","","","","","1.468","","","","has coordinates","200250","2020-10-21","18:00:00",""
"4126372","27.499","0.005","14.9307","0.0027","16.565","0.004","90","","110.55","0.012","90","","6368","2","297","","297","","","","","","","","","8","C 1 2/c 1","-C 2yc","15","","","","- C24.19 H16 Cu D2.92 F6 N4 O6 S2 -","- C24.196 H16 Cu D2.928 F6 N4 O6 S2 -","- C193.568 H128 Cu8 D23.424 F48 N32 O48 S16 -","8","1","","Li, Libo; Lin, Rui-Biao; Krishna, Rajamani; Wang, Xiaoqing; Li, Bin; Wu, Hui; Li, Jinping; Zhou, Wei; Chen, Banglin","Flexible-Robust Metal-Organic Framework for Efficient Removal of Propyne from Propylene.","Journal of the American Chemical Society","2017","139","23","7733","7736","10.1021/jacs.7b04268","powder diffraction","neutron","2.0775","","","","","","","","","0.22463","","1.25","","","","","","","has coordinates","200251","2020-10-21","18:00:00",""
"4126373","11.2332","0.0015","13.4974","0.0018","13.5685","0.0018","99.429","0.003","103.897","0.002","101.439","0.002","1908.4","0.4","100","2","100","2","","","","","","","","7","P 1","P 1","1","cmh_sp_1027","","","- C70 H68 Au2 Cl2 F12 N6 O2 -","- C70 H68 Au2 Cl2 F12 N6 O2 -","- C70 H68 Au2 Cl2 F12 N6 O2 -","1","1","","Niemeyer, Zachary L.; Pindi, Suresh; Khrakovsky, Dimitri A.; Kuzniewski, Christian N.; Hong, Cynthia M.; Joyce, Leo A.; Sigman, Matthew S.; Toste, F. Dean","Parameterization of Acyclic Diaminocarbene Ligands Applied to a Gold(I)-Catalyzed Enantioselective Tandem Rearrangement/Cyclization","Journal of the American Chemical Society","2017","","","","","10.1021/jacs.7b08791","","","0.71073","MoKα","","0.0477","0.0462","","","0.1116","0.1129","","","","","","1.07","","","","has coordinates","200370","2020-10-21","18:00:00",""
"4126374","7.3367","0.0007","12.348","0.0012","8.6496","0.0009","90","","105.847","0.001","90","","753.82","0.13","100","","100","","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C7 H5 F3 N2 O -","- C7 H5 F3 N2 O -","- C28 H20 F12 N8 O4 -","4","1","","Khaled, Mohammad B.; El Mokadem, Roukaya K.; Weaver, Jimmie D.","Hydrogen Bond Directed Photocatalytic Hydrodefluorination; Overcoming Electronic Control.","Journal of the American Chemical Society","2017","","","","","10.1021/jacs.7b06847","","","0.71073","MoKα","","0.0514","0.04","","","0.104","0.1124","","","","","","1.056","","","","has coordinates","200371","2020-10-21","18:00:00",""
"4126375","10.8602","0.0012","49.701","0.006","9.533","0.0011","90","","114.508","0.002","90","","4682","0.9","100","2","100","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C62 H54 O4 -","- C62 H54 O4 -","- C248 H216 O16 -","4","1","","Yang, Wenlong; Longhi, Giovanna; Abbate, Sergio; Lucotti, Andrea; Tommasini, Matteo; Villani, Claudio; Catalano, Vincent J.; Lykhin, Aleksandr O.; Varganov, Sergey A.; Chalifoux, Wesley A.","Chiral Peropyrene: Synthesis, Structure, and Properties.","Journal of the American Chemical Society","2017","","","","","10.1021/jacs.7b06848","","","0.71073","MoKα","","0.2106","0.1696","","","0.4202","0.4468","","","","","","1.607","","","","has coordinates","200372","2020-10-21","18:00:00",""
"4126376","35.077","0.002","8.5903","0.0006","24.2885","0.0016","90","","106.593","0.001","90","","7013.9","0.8","100","2","100","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","8b","","","- C41.39 H45.39 Cl1.17 O2 -","- C41.393 H45.393 Cl1.179 O2 -","- C331.144 H363.144 Cl9.432 O16 -","8","1","","Yang, Wenlong; Longhi, Giovanna; Abbate, Sergio; Lucotti, Andrea; Tommasini, Matteo; Villani, Claudio; Catalano, Vincent J.; Lykhin, Aleksandr O.; Varganov, Sergey A.; Chalifoux, Wesley A.","Chiral Peropyrene: Synthesis, Structure, and Properties.","Journal of the American Chemical Society","2017","","","","","10.1021/jacs.7b06848","","","0.71073","MoKα","","0.099","0.0677","","","0.1417","0.1525","","","","","","1.051","","","","has coordinates,has disorder","200373","2020-10-21","18:00:00",""
"4126377","13.6105","0.0018","14.975","0.002","15.35","0.002","96.317","0.002","109.352","0.002","116.97","0.002","2501.6","0.6","100","2","100","2","","","","","","","","3","P -1","-P 1","2","","","","- C62 H54 O4 -","- C62 H54 O4 -","- C124 H108 O8 -","2","1","","Yang, Wenlong; Longhi, Giovanna; Abbate, Sergio; Lucotti, Andrea; Tommasini, Matteo; Villani, Claudio; Catalano, Vincent J.; Lykhin, Aleksandr O.; Varganov, Sergey A.; Chalifoux, Wesley A.","Chiral Peropyrene: Synthesis, Structure, and Properties.","Journal of the American Chemical Society","2017","","","","","10.1021/jacs.7b06848","","","0.71073","MoKα","","0.0951","0.0526","","","0.131","0.1439","","","","","","1.061","","","","has coordinates","200374","2020-10-21","18:00:00",""
"4126378","14.8264","0.0017","10.4299","0.001","9.5439","0.0005","90","","93.909","0.008","90","","1472.4","0.2","293","2","293","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C60 H92 N4 O4 -","- C60 H92 N4 O4 -","- C60 H92 N4 O4 -","1","0.25","","Qian, Bo; Chen, Shaowei; Wang, Ting; Zhang, Xinhao; Bao, Hongli","Iron-Catalyzed Carboamination of Olefins: Synthesis of Amines and Disubstituted β-Amino Acids.","Journal of the American Chemical Society","2017","","","","","10.1021/jacs.7b06590","","","1.54178","CuKα","","0.0932","0.0674","","","0.1871","0.222","","","","","","1.023","","","","has coordinates","200375","2020-10-21","18:00:00",""
"4126379","8.12","0.0008","41.543","0.004","9.1244","0.0007","90","","113.735","0.01","90","","2817.6","0.5","100","0.5","100","0.5","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C23 H35 Cl F N O3 -","- C23 H35 Cl F N O3 -","- C92 H140 Cl4 F4 N4 O12 -","4","1","","Qian, Bo; Chen, Shaowei; Wang, Ting; Zhang, Xinhao; Bao, Hongli","Iron-Catalyzed Carboamination of Olefins: Synthesis of Amines and Disubstituted β-Amino Acids.","Journal of the American Chemical Society","2017","","","","","10.1021/jacs.7b06590","","","1.54184","CuKα","","0.1511","0.1152","","","0.2845","0.312","","","","","","1.047","","","","has coordinates","200376","2020-10-21","18:00:00",""
"4126380","11.65604","0.00017","24.1742","0.0004","24.0038","0.0004","90","","100.479","0.0015","90","","6650.88","0.19","197.7","0.6","197.7","0.6","","","","","","","","9","P 1 21/n 1","-P 2yn","14","","","","- C76 H63 B Cl2 F4 O4 Os P3 S2 -","- C76 H62 B Cl2 F4 O4 Os P3 S2 -","- C304 H248 B4 Cl8 F16 O16 Os4 P12 S8 -","4","1","","Li, Ruihao; Lu, Zhengyu; Cai, Yuanting; Jiang, Feng; Tang, Chun; Chen, Zhixin; Zheng, Jueting; Pi, Jiuchan; Zhang, Rui; Liu, Junyang; Chen, Zhao-Bin; Yang, Yang; Shi, Jia; Hong, Wenjing; Xia, Haiping","Switching of Charge Transport Pathways via Delocalization Changes in Single-molecule Metallacycles Junctions.","Journal of the American Chemical Society","2017","","","","","10.1021/jacs.7b06400","","","1.54184","CuKα","","0.0367","0.0309","","","0.0718","0.0758","","","","","","1.045","","","","has coordinates,has disorder","200789","2020-10-21","18:00:00",""
"4126381","15.7051","0.0002","18.7402","0.0002","24.236","0.0003","90","","103.705","0.001","90","","6929.97","0.15","100","0.1","100","0.1","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C77 H84 O13 Os P2 S2 -","- C77 H84 O13 Os P2 S2 -","- C308 H336 O52 Os4 P8 S8 -","4","1","","Li, Ruihao; Lu, Zhengyu; Cai, Yuanting; Jiang, Feng; Tang, Chun; Chen, Zhixin; Zheng, Jueting; Pi, Jiuchan; Zhang, Rui; Liu, Junyang; Chen, Zhao-Bin; Yang, Yang; Shi, Jia; Hong, Wenjing; Xia, Haiping","Switching of Charge Transport Pathways via Delocalization Changes in Single-molecule Metallacycles Junctions.","Journal of the American Chemical Society","2017","","","","","10.1021/jacs.7b06400","","x-ray","1.54184","CuKα","","0.0453","0.0435","","","0.1146","0.1165","","","","","","1.024","","","","has coordinates","200789","2020-10-21","18:00:00",""
"4126382","26.5713","0.0018","12.6213","0.0005","23.1715","0.0017","90","","109.741","0.008","90","","7314.2","0.9","180","0.14","180","0.14","","","","","","","","10","C 1 c 1","C -2yc","9","","","","- C83 H71 B Cl2 F4 N O3 Os P3 S2 -","- C83 H71 B Cl2 F4 N O3 Os P3 S2 -","- C332 H284 B4 Cl8 F16 N4 O12 Os4 P12 S8 -","4","1","","Li, Ruihao; Lu, Zhengyu; Cai, Yuanting; Jiang, Feng; Tang, Chun; Chen, Zhixin; Zheng, Jueting; Pi, Jiuchan; Zhang, Rui; Liu, Junyang; Chen, Zhao-Bin; Yang, Yang; Shi, Jia; Hong, Wenjing; Xia, Haiping","Switching of Charge Transport Pathways via Delocalization Changes in Single-molecule Metallacycles Junctions.","Journal of the American Chemical Society","2017","","","","","10.1021/jacs.7b06400","","x-ray","1.54184","CuKα","","0.0487","0.0414","","","0.0929","0.1026","","","","","","1.053","","","","has coordinates,has disorder","200789","2020-10-21","18:00:00",""
"4126383","13.3417","0.0004","32.0611","0.0009","14.8262","0.0004","90","","94.825","0.001","90","","6319.4","0.3","100","2","100","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","mg086_02","","","- C66 H80 B2 N8 P2 Th -","- C66 H80 B2 N8 P2 Th -","- C264 H320 B8 N32 P8 Th4 -","4","1","","Garner, Mary E.; Parker, Bernard F.; Hohloch, Stephan; Bergman, Robert G.; Arnold, John","Thorium Metallacycle Facilitates Catalytic Alkyne Hydrophosphination.","Journal of the American Chemical Society","2017","","","","","10.1021/jacs.7b08323","","","0.71073","MoKα","","0.0309","0.0242","","","0.0535","0.0561","","","","","","1.05","","","","has coordinates","200790","2020-10-21","18:00:00",""
"4126384","16.5408","0.0009","21.4027","0.0011","17.8812","0.001","90","","94.381","0.003","90","","6311.8","0.6","100","2","100","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","mg089","","","- C71 H77 B2 N8 P Th -","- C71 H77 B2 N8 P Th -","- C284 H308 B8 N32 P4 Th4 -","4","1","","Garner, Mary E.; Parker, Bernard F.; Hohloch, Stephan; Bergman, Robert G.; Arnold, John","Thorium Metallacycle Facilitates Catalytic Alkyne Hydrophosphination.","Journal of the American Chemical Society","2017","","","","","10.1021/jacs.7b08323","","","0.71073","MoKα","","0.0495","0.0348","","","0.0754","0.0818","","","","","","1.064","","","","has coordinates","200790","2020-10-21","18:00:00",""
"4126385","11.7452","0.0004","24.2338","0.0008","23.341","0.0008","90","","95.961","0.002","90","","6607.6","0.4","100","2","100","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","mg080","","","- C71 H82 B2 N8 Th -","- C71 H82 B2 N8 Th -","- C284 H328 B8 N32 Th4 -","4","1","","Garner, Mary E.; Parker, Bernard F.; Hohloch, Stephan; Bergman, Robert G.; Arnold, John","Thorium Metallacycle Facilitates Catalytic Alkyne Hydrophosphination.","Journal of the American Chemical Society","2017","","","","","10.1021/jacs.7b08323","","","0.71073","MoKα","","0.0643","0.0418","","","0.0838","0.091","","","","","","1.06","","","","has coordinates","200790","2020-10-21","18:00:00",""
"4126386","15.5152","0.0006","21.5636","0.0008","22.0605","0.0007","90","","90","","90","","7380.6","0.5","100","2","100","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","mg081","","","- C83 H91 B2 N8 P Th -","- C83 H91 B2 N8 P Th -","- C332 H364 B8 N32 P4 Th4 -","4","1","","Garner, Mary E.; Parker, Bernard F.; Hohloch, Stephan; Bergman, Robert G.; Arnold, John","Thorium Metallacycle Facilitates Catalytic Alkyne Hydrophosphination.","Journal of the American Chemical Society","2017","","","","","10.1021/jacs.7b08323","","","0.71073","MoKα","","0.0552","0.0441","","","0.0933","0.0985","","","","","","1.016","","","","has coordinates","200790","2020-10-21","18:00:00",""
"4126387","13.6367","0.0014","18.701","0.0019","21.446","0.002","90","","102.005","0.004","90","","5349.5","0.9","100","2","100","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","mg092","","","- C60 H65 B2 N8 P Th -","- C60 H65 B2 N8 P Th -","- C240 H260 B8 N32 P4 Th4 -","4","1","","Garner, Mary E.; Parker, Bernard F.; Hohloch, Stephan; Bergman, Robert G.; Arnold, John","Thorium Metallacycle Facilitates Catalytic Alkyne Hydrophosphination.","Journal of the American Chemical Society","2017","","","","","10.1021/jacs.7b08323","","","0.71073","MoKα","","0.0338","0.0284","","","0.0596","0.0632","","","","","","1.099","","","","has coordinates","200790","2020-10-21","18:00:00",""
"4126388","13.5531","0.0002","24.8195","0.0003","14.3136","0.0001","90","","99.405","0.001","90","","4750.1","0.1","150","2","150","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C49 H68 N4 O2 Si2 -","- C49 H68 N4 O2 Si2 -","- C196 H272 N16 O8 Si8 -","4","1","","Wang, Yuwen; Kostenko, Arseni; Yao, Shenglai; Driess, Matthias","Divalent Silicon-Assisted Activation of Dihydrogen in a Bis(N-heterocyclic silylene)xanthene Nickel(0) Complex for Efficient Catalytic Hydrogenation of Olefins.","Journal of the American Chemical Society","2017","","","","","10.1021/jacs.7b07167","","","1.54184","CuKα","","0.0714","0.0613","","","0.1564","0.1671","","","","","","1.056","","","","has coordinates","200845","2020-10-21","18:00:00",""
"4126389","17.1482","0.0007","12.2586","0.0005","25.667","0.0008","90","","104.576","0.004","90","","5221.9","0.4","150","2","150","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C53 H70 N4 Ni O Si2 -","- C53 H70 N4 Ni O Si2 -","- C212 H280 N16 Ni4 O4 Si8 -","4","1","","Wang, Yuwen; Kostenko, Arseni; Yao, Shenglai; Driess, Matthias","Divalent Silicon-Assisted Activation of Dihydrogen in a Bis(N-heterocyclic silylene)xanthene Nickel(0) Complex for Efficient Catalytic Hydrogenation of Olefins.","Journal of the American Chemical Society","2017","","","","","10.1021/jacs.7b07167","","","1.54184","CuKα","","0.1062","0.0629","","","0.1516","0.1764","","","","","","0.943","","","","has coordinates,has disorder","200845","2020-10-21","18:00:00",""
"4126390","11.223","0.0003","12.2612","0.0003","20.79","0.0007","103.26","0.003","100.102","0.002","105.877","0.002","2590.25","0.14","150","2","150","2","","","","","","","","7","P -1","-P 1","2","","","","- C51 H76 N4 Ni O P2 Si2 -","- C51 H76 N4 Ni O P2 Si2 -","- C102 H152 N8 Ni2 O2 P4 Si4 -","2","1","","Wang, Yuwen; Kostenko, Arseni; Yao, Shenglai; Driess, Matthias","Divalent Silicon-Assisted Activation of Dihydrogen in a Bis(N-heterocyclic silylene)xanthene Nickel(0) Complex for Efficient Catalytic Hydrogenation of Olefins.","Journal of the American Chemical Society","2017","","","","","10.1021/jacs.7b07167","","","1.54184","CuKα","","0.0341","0.0308","","","0.0797","0.0823","","","","","","1.037","","","","has coordinates","200845","2020-10-21","18:00:00",""
"4126391","17.968","0.0003","27.3289","0.0005","18.9168","0.0004","90","","101.422","0.002","90","","9105","0.3","150","2","150","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C94 H118 N8 Ni2 O3 Si4 -","- C94 H118 N8 Ni2 O3 Si4 -","- C376 H472 N32 Ni8 O12 Si16 -","4","1","","Wang, Yuwen; Kostenko, Arseni; Yao, Shenglai; Driess, Matthias","Divalent Silicon-Assisted Activation of Dihydrogen in a Bis(N-heterocyclic silylene)xanthene Nickel(0) Complex for Efficient Catalytic Hydrogenation of Olefins.","Journal of the American Chemical Society","2017","","","","","10.1021/jacs.7b07167","","","1.54184","CuKα","","0.1155","0.0608","","","0.1325","0.1639","","","","","","1.021","","","","has coordinates","200845","2020-10-21","18:00:00",""
"4126392","22.837","0.0003","9.7903","0.0001","22.3703","0.0003","90","","104.045","0.001","90","","4852.06","0.11","150","2","150","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C48 H69 N4 Ni O P Si2 -","- C48 H69 N4 Ni O P Si2 -","- C192 H276 N16 Ni4 O4 P4 Si8 -","4","1","","Wang, Yuwen; Kostenko, Arseni; Yao, Shenglai; Driess, Matthias","Divalent Silicon-Assisted Activation of Dihydrogen in a Bis(N-heterocyclic silylene)xanthene Nickel(0) Complex for Efficient Catalytic Hydrogenation of Olefins.","Journal of the American Chemical Society","2017","","","","","10.1021/jacs.7b07167","","","1.54184","CuKα","","0.0617","0.0492","","","0.1301","0.1399","","","","","","1.044","","","","has coordinates,has disorder","200845","2020-10-21","18:00:00",""
"4126393","24.2966","0.0002","24.2966","0.0002","18.34987","0.00019","90","","90","","120","","9381.12","0.15","110","2","110","2","","","","","","","","6","R -3 :H","-R 3","148","","","","- C36 H36 Cl2 Cu2 N10 O10 -","- C36 H36 Cl1.9988 Cu2 N10 O9.9952 -","- C324 H324 Cl17.9892 Cu18 N90 O89.9568 -","9","0.5","","Wijeratne, Gayan B.; Hematian, Shabnam; Siegler, Maxime A.; Karlin, Kenneth D.","Copper(I)/NO(g) Reductive Coupling Producing a trans-Hyponitrite Bridged Dicopper(II) Complex: Redox Reversal Giving Copper(I)/NO(g) Disproportionation.","Journal of the American Chemical Society","2017","","","","","10.1021/jacs.7b07808","","","1.54178","CuKα","","0.0401","0.0379","","","0.1127","0.1154","","","","","","1.037","","","","has coordinates,has disorder","200846","2020-10-21","18:00:00",""
"4126394","23.1961","0.0004","19.203","0.0004","13.8123","0.0003","90","","90","","90","","6152.5","0.2","296","2","296","2","","","","","","","","6","C m c m","-C 2c 2","63","","","","- C32 H56 B11 Br N4 Si2 -","- C32 H56 B11 Br N4 Si2 -","- C128 H224 B44 Br4 N16 Si8 -","4","0.25","","Wang, Hao; Wu, Linlin; Lin, Zhenyang; Xie, Zuowei","Synthesis, Structure and Reactivity of a Borylene Cation [(NHSi)2B(CO)]+ Stabilized by Three Neutral Ligands.","Journal of the American Chemical Society","2017","","","","","10.1021/jacs.7b08667","","","0.71073","MoKα","","0.065","0.0504","","","0.1456","0.1534","","","","","","1.058","","","","has coordinates","200847","2020-10-21","18:00:00",""
"4126395","11.775","0.01","13.978","0.013","16.944","0.016","86.78","0.03","76.37","0.03","69.91","0.02","2544","4","296","2","296","2","","","","","","","","8","P -1","-P 1","2","","","","- C37 H58 B11 Br N4 O5 Si2 W -","- C37 H58 B11 Br N4 O5 Si2 W -","- C74 H116 B22 Br2 N8 O10 Si4 W2 -","2","1","","Wang, Hao; Wu, Linlin; Lin, Zhenyang; Xie, Zuowei","Synthesis, Structure and Reactivity of a Borylene Cation [(NHSi)2B(CO)]+ Stabilized by Three Neutral Ligands.","Journal of the American Chemical Society","2017","","","","","10.1021/jacs.7b08667","","","0.71073","MoKα","","0.0447","0.0367","","","0.086","0.0909","","","","","","1.039","","","","has coordinates","200848","2020-10-21","18:00:00",""
"4126396","16.832","0.0008","19.0753","0.0009","17.8224","0.0009","90","","94.3906","0.0015","90","","5705.5","0.5","296","2","296","2","","","","","","","","8","P 1 21/n 1","-P 2yn","14","","","","- C36 H64 B11 Cl2 Cu N4 O Si2 -","- C36 H64 B11 Cl2 Cu N4 O Si2 -","- C144 H256 B44 Cl8 Cu4 N16 O4 Si8 -","4","1","","Wang, Hao; Wu, Linlin; Lin, Zhenyang; Xie, Zuowei","Synthesis, Structure and Reactivity of a Borylene Cation [(NHSi)2B(CO)]+ Stabilized by Three Neutral Ligands.","Journal of the American Chemical Society","2017","","","","","10.1021/jacs.7b08667","","","0.71073","MoKα","","0.1326","0.0857","","","0.2609","0.2901","","","","","","1.111","","","","has coordinates","200849","2020-10-21","18:00:00",""
"4126397","11.7146","0.0002","13.9127","0.0003","16.7705","0.0004","86.9024","0.0011","76.445","0.0009","70.4064","0.0009","2502.39","0.09","296","2","296","2","","","","","","","","8","P -1","-P 1","2","","","","- C38 H56 B11 Br N4 O6 Si2 W -","- C38 H56 B11 Br N4 O6 Si2 W -","- C76 H112 B22 Br2 N8 O12 Si4 W2 -","2","1","","Wang, Hao; Wu, Linlin; Lin, Zhenyang; Xie, Zuowei","Synthesis, Structure and Reactivity of a Borylene Cation [(NHSi)2B(CO)]+ Stabilized by Three Neutral Ligands.","Journal of the American Chemical Society","2017","","","","","10.1021/jacs.7b08667","","","0.71073","MoKα","","0.0514","0.039","","","0.0989","0.1056","","","","","","1.017","","","","has coordinates","200850","2020-10-21","18:00:00",""
"4126398","8.7475","0.0004","5.9029","0.0003","15.0832","0.0007","90","","96.8723","0.0008","90","","773.23","0.06","100","2","100","2","","","","","","","","3","P 1 21/n 1","-P 2yn","14","Berkelium(III) iodate","","","- Bk2 I6 O18 -","- Bk2 I6 O18 -","- Bk4 I12 O36 -","2","0.5","","Silver, Mark A.; Cary, Samantha K.; Garza, Alejandro J.; Baumbach, Ryan E.; Arico, Alexandra A.; Galmin, Gregory A.; Chen, Kuan-Wen; Johnson, Jason A.; Wang, Jamie C.; Clark, Ronald J.; Chemey, Alexander; Eaton, Teresa M.; Marsh, Matthew L.; Seidler, Kevin; Galley, Shane S.; van de Burgt, Lambertus; Gray, Ashley L.; Hobart, David E.; Hanson, Kenneth; van Cleve, Shelley M.; Gendron, Frédéric; Autschbach, Jochen; Scuseria, Gustavo E.; Maron, Laurent; Speldrich, Manfred; Kögerler, Paul; Celis-Barros, Cristian; Paéz-Hernandéz, Dayán; Arratia-Perez, Ramiro; Ruf, Michael; Albrecht-Schmitt, Thomas E","Departure from a Spherically Symmetric Ground State in a System with a Half-filled Shell: The Case Example of Berkelium(IV) Iodate.","Journal of the American Chemical Society","2017","","","","","10.1021/jacs.7b05569","","","0.71073","MoKα","","0.031","0.0307","","","0.075","0.0752","","","","","","1.216","","","","has coordinates","200890","2020-10-21","18:00:00",""
"4126399","8.5604","0.0006","8.5604","0.0006","7.5746","0.0005","90","","90","","90","","555.07","0.07","100","2","100","2","","","","","","","","3","P 4/n","-P 4a","85","Berkelium(IV) iodate","","","- Bk I4 O12 -","- Bk I4 O12 -","- Bk2 I8 O24 -","2","","","Silver, Mark A.; Cary, Samantha K.; Garza, Alejandro J.; Baumbach, Ryan E.; Arico, Alexandra A.; Galmin, Gregory A.; Chen, Kuan-Wen; Johnson, Jason A.; Wang, Jamie C.; Clark, Ronald J.; Chemey, Alexander; Eaton, Teresa M.; Marsh, Matthew L.; Seidler, Kevin; Galley, Shane S.; van de Burgt, Lambertus; Gray, Ashley L.; Hobart, David E.; Hanson, Kenneth; van Cleve, Shelley M.; Gendron, Frédéric; Autschbach, Jochen; Scuseria, Gustavo E.; Maron, Laurent; Speldrich, Manfred; Kögerler, Paul; Celis-Barros, Cristian; Paéz-Hernandéz, Dayán; Arratia-Perez, Ramiro; Ruf, Michael; Albrecht-Schmitt, Thomas E","Departure from a Spherically Symmetric Ground State in a System with a Half-filled Shell: The Case Example of Berkelium(IV) Iodate.","Journal of the American Chemical Society","2017","","","","","10.1021/jacs.7b05569","","","0.71073","MoKα","","0.0148","0.0129","","","0.0265","0.0269","","","","","","1.149","","","","has coordinates","200890","2020-10-21","18:00:00",""
"4126400","21.4559","0.0007","21.4559","0.0007","6.7954","0.0003","90","","90","","120","","2709.19","0.17","100","2","100","2","","","","","","","","5","P 31 2 1","P 31 2""","152","Zn2(dobpdc)(dmpn)1.3","","","- C20.5 H24.2 N2.6 O6 Zn2 -","- C20.5 H25.58 N3.3 O6 Zn2 -","- C61.5 H76.74 N9.9 O18 Zn6 -","3","0.5","","Milner, Phillip J.; Siegelman, Rebecca L.; Forse, Alexander C.; Gonzalez, Miguel I.; Runčevski, Tomče; Martell, Jeffrey D.; Reimer, Jeffrey A.; Long, Jeffrey R.","A Diaminopropane-Appended Metal‒Organic Framework Enabling Efficient CO2 Capture from Coal Flue Gas via a Mixed Adsorption Mechanism","Journal of the American Chemical Society","2017","","","","","10.1021/jacs.7b07612","","","0.7749","synchrotron","","0.1","0.0955","","","0.2221","0.224","","","","","","1.303","","","","has coordinates,has disorder","200892","2020-10-21","18:00:00",""
"4126401","21.653","0.0011","21.653","0.0011","6.7873","0.0004","90","","90","","120","","2755.9","0.3","100","2","100","2","","","","","","","","5","P 32 2 1","P 32 2""","154","Zn2(dobpdc)(dmpn)0.65(dmpn-CO2)0.774","","","- C21.89 H25.94 N2.85 O7.55 Zn2 -","- C21.894 H26.316 N3.424 O7.548 Zn2 -","- C65.682 H78.948 N10.272 O22.644 Zn6 -","3","0.5","","Milner, Phillip J.; Siegelman, Rebecca L.; Forse, Alexander C.; Gonzalez, Miguel I.; Runčevski, Tomče; Martell, Jeffrey D.; Reimer, Jeffrey A.; Long, Jeffrey R.","A Diaminopropane-Appended Metal‒Organic Framework Enabling Efficient CO2 Capture from Coal Flue Gas via a Mixed Adsorption Mechanism","Journal of the American Chemical Society","2017","","","","","10.1021/jacs.7b07612","","","0.6888","synchrotron","","0.0652","0.0585","","","0.1332","0.1358","","","","","","1.205","","","","has coordinates,has disorder","200893","2020-10-21","18:00:00",""
"4126402","21.527","0.002","21.527","0.002","6.8199","0.0008","90","","90","","120","","2737","0.5","100","2","100","2","","","","","","","","5","P 31 2 1","P 31 2""","152","Zn2(dobpdc)(mpn)1.758(C7H8)0.622","","","- C25.39 H32.07 N3.52 O6 Zn2 -","- C25.386 H32.072 N3.758 O6 Zn2 -","- C76.158 H96.216 N11.274 O18 Zn6 -","3","0.5","","Milner, Phillip J.; Siegelman, Rebecca L.; Forse, Alexander C.; Gonzalez, Miguel I.; Runčevski, Tomče; Martell, Jeffrey D.; Reimer, Jeffrey A.; Long, Jeffrey R.","A Diaminopropane-Appended Metal‒Organic Framework Enabling Efficient CO2 Capture from Coal Flue Gas via a Mixed Adsorption Mechanism","Journal of the American Chemical Society","2017","","","","","10.1021/jacs.7b07612","","","0.7749","synchrotron","","0.0583","0.0574","","","0.1414","0.1418","","","","","","1.238","","","","has coordinates,has disorder","200894","2020-10-21","18:00:00",""
"4126403","21.3008","0.0009","21.3008","0.0009","6.877","0.0003","90","","90","","120","","2702.2","0.2","100","2","100","2","","","","","","","","5","P 31 2 1","P 31 2""","152","Zn2(dobpdc)(dmen)0.976(dmen-CO2)0.758","","","- C21.91 H26.82 N3.47 O7.95 Zn2 -","- C21.912 H26.816 N3.468 O7.952 Zn2 -","- C65.736 H80.448 N10.404 O23.856 Zn6 -","3","0.5","","Milner, Phillip J.; Siegelman, Rebecca L.; Forse, Alexander C.; Gonzalez, Miguel I.; Runčevski, Tomče; Martell, Jeffrey D.; Reimer, Jeffrey A.; Long, Jeffrey R.","A Diaminopropane-Appended Metal‒Organic Framework Enabling Efficient CO2 Capture from Coal Flue Gas via a Mixed Adsorption Mechanism","Journal of the American Chemical Society","2017","","","","","10.1021/jacs.7b07612","","","0.7749","synchrotron","","0.075","0.0728","","","0.1762","0.1775","","","","","","1.215","","","","has coordinates,has disorder","200895","2020-10-21","18:00:00",""
"4126404","21.4217","0.0008","21.4217","0.0008","6.8386","0.0003","90","","90","","120","","2717.73","0.19","100","2","100","2","","","","","","","","5","P 31 2 1","P 31 2""","152","Zn2(dobpdc)(dmen)1.61-(H2O)0.70","","","- C20.44 H26.72 N3.22 O6.7 Zn2 -","- C20.44 H25.316 N3.61 O6.7 Zn2 -","- C61.32 H75.948 N10.83 O20.1 Zn6 -","3","0.5","","Milner, Phillip J.; Siegelman, Rebecca L.; Forse, Alexander C.; Gonzalez, Miguel I.; Runčevski, Tomče; Martell, Jeffrey D.; Reimer, Jeffrey A.; Long, Jeffrey R.","A Diaminopropane-Appended Metal‒Organic Framework Enabling Efficient CO2 Capture from Coal Flue Gas via a Mixed Adsorption Mechanism","Journal of the American Chemical Society","2017","","","","","10.1021/jacs.7b07612","","","0.8856","synchrotron","","0.0588","0.0511","","","0.1359","0.1401","","","","","","1.106","","","","has coordinates,has disorder","200896","2020-10-21","18:00:00",""
"4126405","37.171","0.006","37.171","0.006","15.907","0.002","90","","90","","120","","19034","5","100","2","100","2","","","","","","","","6","R -3 m :H","-R 3 2""","166","","","","- C14 H12 Cl3 Cu2 N7 O2 -","- C14 H12 Cl3 Cu2 N7 O2 -","- C252 H216 Cl54 Cu36 N126 O36 -","18","0.5","","Park, Sarah S.; Tulchinsky, Yuri; Dincă, Mircea","Single-Ion Li(+), Na(+), and Mg(2+) Solid Electrolytes Supported by a Mesoporous Anionic Cu-Azolate Metal-Organic Framework.","Journal of the American Chemical Society","2017","","","","","10.1021/jacs.7b06197","","","0.71073","MoKα","","0.103","0.0636","","","0.2079","0.2437","","","","","","1.031","","","","has coordinates,has disorder","200897","2020-10-21","18:00:00",""
"4126406","38.819","0.004","38.819","0.004","7.7932","0.0012","90","","90","","120","","10170","2","373","2","373","2","","","","","","","","6","R -3 m :H","-R 3 2""","166","","","","- C4.5 H1.5 Cl0.75 Cu0.75 N2.25 O0.75 -","- C4.5 H1.5 Cl0.75 Cu0.75 N2.25 O0.75 -","- C108 H36 Cl18 Cu18 N54 O18 -","24","0.666667","","Park, Sarah S.; Tulchinsky, Yuri; Dincă, Mircea","Single-Ion Li(+), Na(+), and Mg(2+) Solid Electrolytes Supported by a Mesoporous Anionic Cu-Azolate Metal-Organic Framework.","Journal of the American Chemical Society","2017","","","","","10.1021/jacs.7b06197","","","1.54178","CuKα","","0.055","0.0401","","","0.1405","0.1586","","","","","","0.699","","","","has coordinates,has disorder","200898","2020-10-21","18:00:00",""
"4126407","37.82","0.003","37.82","0.003","8.0074","0.0011","90","","90","","120","","9918.9","1.8","100","2","100","2","","","","","","","","6","R -3 m :H","-R 3 2""","166","","","","- C4.5 H1.5 Cl0.75 Cu0.75 N2.25 O1.5 -","- C4.5 H1.5 Cl0.75 Cu0.75 N2.25 O1.5 -","- C108 H36 Cl18 Cu18 N54 O36 -","24","0.666667","","Park, Sarah S.; Tulchinsky, Yuri; Dincă, Mircea","Single-Ion Li(+), Na(+), and Mg(2+) Solid Electrolytes Supported by a Mesoporous Anionic Cu-Azolate Metal-Organic Framework.","Journal of the American Chemical Society","2017","","","","","10.1021/jacs.7b06197","","","1.54178","CuKα","","0.0734","0.0412","","","0.088","0.0988","","","","","","0.914","","","","has coordinates,has disorder","200899","2020-10-21","18:00:00",""
"4126408","24.6141","0.0009","19.4717","0.0007","8.0534","0.0003","90","","90","","90","","3859.8","0.2","100","2","100","2","","","","","","","","5","P n m a","-P 2ac 2n","62","","","","- C23.5 H24 Co0.5 N2.5 O0.5 -","- C23.5 H24 Co0.5 N2.5 O0.5 -","- C188 H192 Co4 N20 O4 -","8","1","","Tokmic, Kenan; Jackson, Bailey J.; Salazar, Andrea; Woods, Toby J.; Fout, Alison R.","Cobalt-Catalyzed and Lewis Acid-Assisted Nitrile Hydrogenation to Primary Amines: A Combined Effort","Journal of the American Chemical Society","2017","","","","","10.1021/jacs.7b07368","","x-ray","0.71073","MoKα","","0.0469","0.0394","","","0.0963","0.101","","","","","","1.09","","","","has coordinates,has disorder","200900","2020-10-21","18:00:00",""
"4126409","13.1921","0.001","18.4856","0.0016","20.7607","0.0014","90","","90","","90","","5062.8","0.7","173","2","173","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C64 H55 Co N5 O P -","- C64 H55 Co N5 O P -","- C256 H220 Co4 N20 O4 P4 -","4","1","","Tokmic, Kenan; Jackson, Bailey J.; Salazar, Andrea; Woods, Toby J.; Fout, Alison R.","Cobalt-Catalyzed and Lewis Acid-Assisted Nitrile Hydrogenation to Primary Amines: A Combined Effort","Journal of the American Chemical Society","2017","","","","","10.1021/jacs.7b07368","","","0.71073","MoKα","","0.0924","0.0539","","","0.1011","0.1164","","","","","","1.013","","","","has coordinates","200901","2020-10-21","18:00:00",""
"4126410","17.9017","0.001","16.1949","0.001","18.5938","0.0012","90","","93.322","0.003","90","","5381.6","0.6","100","","100","","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C67 H63 Co N5 O P -","- C67 H63 Co N5 O P -","- C268 H252 Co4 N20 O4 P4 -","4","1","","Tokmic, Kenan; Jackson, Bailey J.; Salazar, Andrea; Woods, Toby J.; Fout, Alison R.","Cobalt-Catalyzed and Lewis Acid-Assisted Nitrile Hydrogenation to Primary Amines: A Combined Effort","Journal of the American Chemical Society","2017","","","","","10.1021/jacs.7b07368","","x-ray","0.71073","MoKα","","0.0648","0.0378","","","0.089","0.1073","","","","","","1.068","","","","has coordinates","200902","2020-10-21","18:00:00",""
"4126411","5.3296","0.0002","10.3296","0.0003","12.0234","0.0004","74.8164","0.0008","85.3302","0.0009","75.455","0.0008","618.25","0.04","100","","100","","","","","","","","","5","P -1","-P 1","2","","","","- C13 H18 F N O2 -","- C13 H18 F N O2 -","- C26 H36 F2 N2 O4 -","2","1","","Parisi, Giovanna; Colella, Marco; Monticelli, Serena; Romanazzi, Giuseppe; Holzer, Wolfgang; Langer, Thierry; Degennaro, Leonardo; Pace, Vittorio; Luisi, Renzo","Exploiting a ""Beast"" in Carbenoid Chemistry: Development of a Straightforward Direct Nucleophilic Fluoromethylation Strategy.","Journal of the American Chemical Society","2017","","","","","10.1021/jacs.7b07891","","x-ray","1.54178","CuKα","","0.0332","0.0321","","","0.0778","0.0786","","","","","","1.036","","","","has coordinates","200940","2020-10-21","18:00:00",""
"4126412","27.0265","0.0008","27.0265","0.0008","17.8985","0.0009","90","","90","","120","","11322.1","0.7","250","","250","","","","","","","","","5","P 63/m m c","-P 6c 2c","194","","","","- C12 H11 N9 O2 Zn2 -","- C12 H11 N9 O2 Zn2 -","- C144 H132 N108 O24 Zn24 -","12","0.5","","Furlong, Brandon J.; Katz, Michael J.","Bistable Dithienylethene-Based Metal-Organic Framework Illustrating Optically Induced Changes in Chemical Separations.","Journal of the American Chemical Society","2017","","","","","10.1021/jacs.7b07856","","x-ray","0.71073","MoKα","","0.2066","0.1464","","0.3549","0.3125","0.303","","","","","","0.8295","","","","has coordinates,has disorder","204144","2020-10-21","18:00:00",""
"4126413","27.2188","0.0005","27.2188","0.0005","17.0357","0.0008","90","","90","","120","","10930.2","0.6","250","0.1","250","0.1","","","","","","","","6","P 63/m m c","-P 6c 2c","194","","","","- C12.67 H8.6 N7.42 O2.84 S0.5 Zn1.5 -","- C12.6663 H8.598 N7.4175 O2.835 S0.49995 Zn1.5 -","- C202.661 H137.568 N118.68 O45.36 S7.9992 Zn24 -","16","0.666667","","Furlong, Brandon J.; Katz, Michael J.","Bistable Dithienylethene-Based Metal-Organic Framework Illustrating Optically Induced Changes in Chemical Separations.","Journal of the American Chemical Society","2017","","","","","10.1021/jacs.7b07856","","x-ray","1.54184","CuKα","","0.1476","0.123","","0.41","0.3719","0.3664","","","","","","3.3025","","","","has coordinates,has disorder","204144","2020-10-21","18:00:00",""
"4126414","27.2188","0.0005","27.2188","0.0005","17.0357","0.0008","90","","90","","120","","10930.2","0.6","250","0.1","250","0.1","","","","","","","","6","P 63/m m c","-P 6c 2c","194","","","","- C9.69 H8.32 N7.43 O2.86 S0.09 Zn1.5 -","- C9.693 H8.32575 N7.43025 O2.8605 S0.0945 Zn1.5 -","- C155.088 H133.212 N118.884 O45.768 S1.512 Zn24 -","16","0.666667","","Furlong, Brandon J.; Katz, Michael J.","Bistable Dithienylethene-Based Metal-Organic Framework Illustrating Optically Induced Changes in Chemical Separations.","Journal of the American Chemical Society","2017","","","","","10.1021/jacs.7b07856","","x-ray","1.54184","CuKα","","0.1379","0.1143","","0.1974","0.1393","0.1581","","","","","","1.0152","","","","has coordinates,has disorder","204144","2020-10-21","18:00:00",""
"4126415","7.4448","0.0002","5.7199","0.0002","16.4982","0.0007","90","","90.354","0.003","90","","702.54","0.04","293.5","0.2","293.5","0.2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C15 H12 Br N3 O -","- C15 H12 Br N3 O -","- C30 H24 Br2 N6 O2 -","2","1","","Zhou, Pengfei; Lin, Lili; Chen, Long; Zhong, Xia; Liu, Xiaohua; Feng, Xiaoming","Iron-Catalyzed Asymmetric Haloazidation of α,β-Unsaturated Ketones: Construction of Organic Azides with Two Vicinal Stereocenters.","Journal of the American Chemical Society","2017","","","","","10.1021/jacs.7b06029","","x-ray","1.54184","CuKα","","0.0483","0.047","","","0.1257","0.1292","","","","","","1.119","","","","has coordinates","200962","2020-10-21","18:00:00",""
"4126416","9.0743","0.0006","17.4986","0.001","10.3332","0.0007","90","","106.558","0.003","90","","1572.74","0.18","103","2","103","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C16 H18 Br Cl O4 -","- C16 H18 Br Cl O4 -","- C64 H72 Br4 Cl4 O16 -","4","1","","Shen, Liang; Zhao, Kai; Doitomi, Kazuki; Ganguly, Rakesh; Li, Yong-Xin; Shen, Zhi-Liang; Hirao, Hajime; Loh, Teck-Peng","Lewis Acid-Catalyzed Selective [2 + 2]-Cycloaddition and Dearomatizing Cascade Reaction of Aryl Alkynes with Acrylates.","Journal of the American Chemical Society","2017","","","","","10.1021/jacs.7b07997","","","0.71073","MoKα","","0.0844","0.0451","","","0.0814","0.0939","","","","","","1.018","","","","has coordinates","201028","2020-10-21","18:00:00",""
"4126417","7.8298","0.0003","10.7707","0.0004","13.5049","0.0005","92.876","0.003","96.754","0.002","97.138","0.002","1119.8","0.07","103","2","103","2","","","","","","","","4","P -1","-P 1","2","","","","- C24 H28 Br2 O2 -","- C24 H28 Br2 O2 -","- C48 H56 Br4 O4 -","2","1","","Shen, Liang; Zhao, Kai; Doitomi, Kazuki; Ganguly, Rakesh; Li, Yong-Xin; Shen, Zhi-Liang; Hirao, Hajime; Loh, Teck-Peng","Lewis Acid-Catalyzed Selective [2 + 2]-Cycloaddition and Dearomatizing Cascade Reaction of Aryl Alkynes with Acrylates.","Journal of the American Chemical Society","2017","","","","","10.1021/jacs.7b07997","","","0.71073","MoKα","","0.0729","0.038","","","0.0655","0.0742","","","","","","1.007","","","","has coordinates","201029","2020-10-21","18:00:00",""
"4126418","7.7807","0.0004","10.8974","0.0005","12.8013","0.0006","89.442","0.003","82.532","0.003","83.422","0.003","1069.11","0.09","153","2","153","2","","","","","","","","4","P -1","-P 1","2","","","","- C23 H26 Br2 O2 -","- C23 H26 Br2 O2 -","- C46 H52 Br4 O4 -","2","1","","Shen, Liang; Zhao, Kai; Doitomi, Kazuki; Ganguly, Rakesh; Li, Yong-Xin; Shen, Zhi-Liang; Hirao, Hajime; Loh, Teck-Peng","Lewis Acid-Catalyzed Selective [2 + 2]-Cycloaddition and Dearomatizing Cascade Reaction of Aryl Alkynes with Acrylates.","Journal of the American Chemical Society","2017","","","","","10.1021/jacs.7b07997","","","0.71073","MoKα","","0.1052","0.0444","","","0.0941","0.1224","","","","","","0.989","","","","has coordinates","201030","2020-10-21","18:00:00",""
"4126419","6.644","0.001","11.864","0.002","11.9743","0.0017","88.957","0.004","76.194","0.004","76.156","0.004","889.2","0.2","153","2","153","2","","","","","","","","4","P -1","-P 1","2","","","","- C44 H34 Br2 O4 -","- C44 H34 Br2 O4 -","- C44 H34 Br2 O4 -","1","0.5","","Shen, Liang; Zhao, Kai; Doitomi, Kazuki; Ganguly, Rakesh; Li, Yong-Xin; Shen, Zhi-Liang; Hirao, Hajime; Loh, Teck-Peng","Lewis Acid-Catalyzed Selective [2 + 2]-Cycloaddition and Dearomatizing Cascade Reaction of Aryl Alkynes with Acrylates.","Journal of the American Chemical Society","2017","","","","","10.1021/jacs.7b07997","","","0.71073","MoKα","","0.1512","0.0692","","","0.1773","0.2218","","","","","","1.041","","","","has coordinates","201031","2020-10-21","18:00:00",""
"4126420","9.241","0.0012","17.454","0.002","10.4075","0.0013","90","","106.183","0.004","90","","1612.1","0.3","103","2","103","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C16 H18 Br2 O4 -","- C16 H18 Br2 O4 -","- C64 H72 Br8 O16 -","4","1","","Shen, Liang; Zhao, Kai; Doitomi, Kazuki; Ganguly, Rakesh; Li, Yong-Xin; Shen, Zhi-Liang; Hirao, Hajime; Loh, Teck-Peng","Lewis Acid-Catalyzed Selective [2 + 2]-Cycloaddition and Dearomatizing Cascade Reaction of Aryl Alkynes with Acrylates.","Journal of the American Chemical Society","2017","","","","","10.1021/jacs.7b07997","","","0.71073","MoKα","","0.1313","0.0601","","","0.0906","0.1072","","","","","","0.99","","","","has coordinates","201032","2020-10-21","18:00:00",""
"4126421","11.9006","0.0012","12.1348","0.001","14.5838","0.0011","90","","105.775","0.003","90","","2026.7","0.3","153","2","153","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C22 H24 Br2 O2 -","- C22 H24 Br2 O2 -","- C88 H96 Br8 O8 -","4","1","","Shen, Liang; Zhao, Kai; Doitomi, Kazuki; Ganguly, Rakesh; Li, Yong-Xin; Shen, Zhi-Liang; Hirao, Hajime; Loh, Teck-Peng","Lewis Acid-Catalyzed Selective [2 + 2]-Cycloaddition and Dearomatizing Cascade Reaction of Aryl Alkynes with Acrylates.","Journal of the American Chemical Society","2017","","","","","10.1021/jacs.7b07997","","","0.71073","","","0.1027","0.0468","","","0.0823","0.0984","","","","","","0.997","","","","has coordinates","201033","2020-10-21","18:00:00",""
"4126422","3.9358","0.0002","18.4765","0.0007","12.6373","0.0005","90","","97.475","0.003","90","","911.17","0.07","147","2","147","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C9 H9 N O5 -","- C9 H9 N O5 -","- C36 H36 N4 O20 -","4","1","","Dong, Mingxin; Babalhavaeji, Amirhossein; Collins, Catherine V.; Jarrah, Kareem; Sadovski, Oleg; Dai, Qiuyun; Woolley, G. Andrew","Near-Infrared Photoswitching of Azobenzenes under Physiological Conditions.","Journal of the American Chemical Society","2017","","","","","10.1021/jacs.7b06471","","","1.54178","CuKα","","0.0506","0.0419","","","0.108","0.1138","","","","","","1.042","","","","has coordinates","201034","2020-10-21","18:00:00",""
"4126423","10.8792","0.0004","15.5118","0.0005","8.0195","0.0003","90","","101.652","0.004","90","","1325.45","0.08","100.01","0.1","100.01","0.1","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C20 H18 Br2 Cl6 N2 O6 -","- C20 H18 Br2 Cl6 N2 O6 -","- C40 H36 Br4 Cl12 N4 O12 -","2","0.5","","Dong, Mingxin; Babalhavaeji, Amirhossein; Collins, Catherine V.; Jarrah, Kareem; Sadovski, Oleg; Dai, Qiuyun; Woolley, G. Andrew","Near-Infrared Photoswitching of Azobenzenes under Physiological Conditions.","Journal of the American Chemical Society","2017","","","","","10.1021/jacs.7b06471","","x-ray","1.54184","CuKα","","0.0551","0.0427","","","0.1073","0.1149","","","","","","1.037","","","","has coordinates","201035","2020-10-21","18:00:00",""
"4126424","28.3815","0.0006","47.031","0.0007","46.147","0.002","90","","90","","90","","61597","3","100.01","0.1","100.01","0.1","","","","","","","","5","P b c n","-P 2n 2ab","60","","","","- C400 H600 Ag141 Cl12 S40 -","- C400 H600 Ag141 Cl12 S40 -","- C1600 H2400 Ag564 Cl48 S160 -","4","0.5","","Ren, Liting; Yuan, Peng; Su, Haifeng; Malola, Sami; Lin, Shuichao; Tang, Zichao; Teo, Boon K.; Häkkinen, Hannu; Zheng, Lansun; Zheng, Nanfeng","Bulky Surface Ligands Promote Surface Reactivities of [Ag141X12(S-Adm)40](3+) (X = Cl, Br, I) Nanoclusters: Models for Multiple-Twinned Nanoparticles.","Journal of the American Chemical Society","2017","","","","","10.1021/jacs.7b07926","","x-ray","0.71073","MoKα","","0.1089","0.074","","","0.1817","0.2214","","","","","","1.015","","","","has coordinates,has disorder","201036","2020-10-21","18:00:00",""
"4126425","28.4956","0.0006","46.9834","0.0006","45.952","0.0007","90","","90","","90","","61521.5","1.8","103","4","103","4","","","","","","","","5","P b c n","-P 2n 2ab","60","","","","- C400 H600 Ag141 Br12 S40 -","- C400 H600 Ag141 Br12 S40 -","- C1600 H2400 Ag564 Br48 S160 -","4","0.5","","Ren, Liting; Yuan, Peng; Su, Haifeng; Malola, Sami; Lin, Shuichao; Tang, Zichao; Teo, Boon K.; Häkkinen, Hannu; Zheng, Lansun; Zheng, Nanfeng","Bulky Surface Ligands Promote Surface Reactivities of [Ag141X12(S-Adm)40](3+) (X = Cl, Br, I) Nanoclusters: Models for Multiple-Twinned Nanoparticles.","Journal of the American Chemical Society","2017","","","","","10.1021/jacs.7b07926","","x-ray","0.71073","MoKα","","0.1399","0.085","","","0.2206","0.2588","","","","","","1.071","","","","has coordinates","201037","2020-10-21","18:00:00",""
"4126426","5.00279","0.0001","16.5993","0.0002","24.777","0.0003","90","","90","","90","","2057.55","0.05","100","0.2","100","0.2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C26 H14 B F5 N2 O2 -","- C26 H14 B F5 N2 O2 -","- C104 H56 B4 F20 N8 O8 -","4","1","","Li, Tian-Yi; Meyer, Toni; Ma, Zaifei; Benduhn, Johannes; Koerner, Christian; Zeika, Olaf; Vandewal, Koen; Leo, Karl","Small Molecule Near-Infrared BODIPY Donors for Organic Tandem Solar Cells.","Journal of the American Chemical Society","2017","","","","","10.1021/jacs.7b07887","","x-ray","1.54184","CuKα","","0.0321","0.0307","","","0.079","0.0805","","","","","","1.032","","","","has coordinates","201084","2020-10-21","18:00:00",""
"4126427","10.3958","0.0003","13.9619","0.0004","17.5164","0.0006","110.447","0.003","95.912","0.002","101.347","0.002","2294.5","0.14","100","0.2","100","0.2","","","","","","","","6","P -1","-P 1","2","","","","- C28 H18 B F5 N2 O2 -","- C28 H18 B F5 N2 O2 -","- C112 H72 B4 F20 N8 O8 -","4","2","","Li, Tian-Yi; Meyer, Toni; Ma, Zaifei; Benduhn, Johannes; Koerner, Christian; Zeika, Olaf; Vandewal, Koen; Leo, Karl","Small Molecule Near-Infrared BODIPY Donors for Organic Tandem Solar Cells.","Journal of the American Chemical Society","2017","","","","","10.1021/jacs.7b07887","","x-ray","1.54184","CuKα","","0.0503","0.0456","","","0.1224","0.1275","","","","","","1.04","","","","has coordinates","201085","2020-10-21","18:00:00",""
"4126428","9.4718","0.0005","9.4932","0.0003","13.4657","0.0003","91.53","0.002","91.845","0.003","108.004","0.004","1150.06","0.08","100.01","0.1","100.01","0.1","","","","","","","","6","P -1","-P 1","2","","","","- C28 H18 B F5 N2 O4 -","- C28 H18 B F5 N2 O4 -","- C56 H36 B2 F10 N4 O8 -","2","1","","Li, Tian-Yi; Meyer, Toni; Ma, Zaifei; Benduhn, Johannes; Koerner, Christian; Zeika, Olaf; Vandewal, Koen; Leo, Karl","Small Molecule Near-Infrared BODIPY Donors for Organic Tandem Solar Cells.","Journal of the American Chemical Society","2017","","","","","10.1021/jacs.7b07887","","x-ray","1.54184","CuKα","","0.0688","0.0675","","","0.201","0.2043","","","","","","1.188","","","","has coordinates,has disorder","201086","2020-10-21","18:00:00",""
"4126429","7.8872","0.0012","11.9464","0.0019","11.9276","0.0019","90","","90","","90","","1123.9","0.3","173","2","173","2","","","","","","","","3","P c a 21","P 2c -2ac","29","","","","- C6 N10 O8 -","- C6 N10 O8 -","- C24 N40 O32 -","4","1","","Tang, Yongxing; Kumar, Dheeraj; Shreeve, Jean'ne M.","Balancing Excellent Performance and High Thermal Stability in a Dinitropyrazole Fused 1,2,3,4-Tetrazine.","Journal of the American Chemical Society","2017","","","","","10.1021/jacs.7b08789","","","0.71073","MoKα","","0.0368","0.0348","","","0.0903","0.0923","","","","","","1.058","","","","has coordinates","201116","2020-10-21","18:00:00",""
"4126430","7.8053","0.001","10.1106","0.0013","16.085","0.002","90","","96.012","0.001","90","","1262.4","0.3","173","2","173","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C6 H4 N10 O8 -","- C6 H4 N10 O8 -","- C24 H16 N40 O32 -","4","1","","Tang, Yongxing; Kumar, Dheeraj; Shreeve, Jean'ne M.","Balancing Excellent Performance and High Thermal Stability in a Dinitropyrazole Fused 1,2,3,4-Tetrazine.","Journal of the American Chemical Society","2017","","","","","10.1021/jacs.7b08789","","","0.71073","MoKα","","0.0526","0.0419","","","0.1065","0.1171","","","","","","1.03","","","","has coordinates","201117","2020-10-21","18:00:00",""
"4126431","14.1155","0.0003","15.7239","0.0004","21.2585","0.0005","94.8964","0.0019","105.121","0.0019","109.266","0.002","4223.13","0.19","110","2","110","2","","","","","","","","5","P -1","-P 1","2","","","","- C96 H72 Fe N4 O -","- C96 H72 Fe N4 O -","- C192 H144 Fe2 N8 O2 -","2","1","","Zaragoza, Jan Paulo T.; Yosca, Timothy H.; Siegler, Maxime A.; Moënne-Loccoz, Pierre; Green, Michael T.; Goldberg, David P.","Direct Observation of Oxygen Rebound with an Iron-Hydroxide Complex.","Journal of the American Chemical Society","2017","","","","","10.1021/jacs.7b07979","","","1.54178","CuKα","","0.0899","0.0568","","","0.1341","0.1447","","","","","","0.853","","","","has coordinates,has disorder","201118","2020-10-21","18:00:00",""
"4126432","14.2771","0.0003","15.7261","0.0005","21.1824","0.0006","95.674","0.003","104.611","0.002","109.64","0.002","4245.5","0.2","110","2","110","2","","","","","","","","5","P -1","-P 1","2","","","","- C91 H59 Cl Fe N4 -","- C91 H59 Cl Fe N4 -","- C182 H118 Cl2 Fe2 N8 -","2","1","","Zaragoza, Jan Paulo T.; Yosca, Timothy H.; Siegler, Maxime A.; Moënne-Loccoz, Pierre; Green, Michael T.; Goldberg, David P.","Direct Observation of Oxygen Rebound with an Iron-Hydroxide Complex.","Journal of the American Chemical Society","2017","","","","","10.1021/jacs.7b07979","","","1.54178","CuKα","","0.084","0.06","","","0.1597","0.1694","","","","","","0.915","","","","has coordinates","201119","2020-10-21","18:00:00",""
"4126433","37.4644","0.0007","37.4644","0.0007","14.7323","0.0003","90","","90","","120","","17907.7","0.6","150","2","150","2","","","","","","","","4","R -3 :H","-R 3","148","","","","- C44.48 H57.96 N4 Ni2 -","- C44.4815 H57.9556 N4 Ni2 -","- C800.667 H1043.2 N72 Ni36 -","18","1","","Hartline, Douglas R.; Zeller, Matthias; Uyeda, Christopher","Catalytic Carbonylative Rearrangement of Norbornadiene via Dinuclear Carbon-Carbon Oxidative Addition.","Journal of the American Chemical Society","2017","","","","","10.1021/jacs.7b08691","","","1.54178","CuKα","","0.0538","0.0445","","","0.1132","0.1196","","","","","","1.046","","","","has coordinates,has disorder","201120","2020-10-21","18:00:00",""
"4126434","12.9528","0.0002","20.2181","0.0004","14.3665","0.0003","90","","100.043","0.0014","90","","3704.66","0.12","100","2","100","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C43 H52 N4 Ni2 -","- C43 H52 N4 Ni2 -","- C172 H208 N16 Ni8 -","4","1","","Hartline, Douglas R.; Zeller, Matthias; Uyeda, Christopher","Catalytic Carbonylative Rearrangement of Norbornadiene via Dinuclear Carbon-Carbon Oxidative Addition.","Journal of the American Chemical Society","2017","","","","","10.1021/jacs.7b08691","","","1.54178","CuKα","","0.0556","0.0546","","","0.1376","0.1389","","","","","","1.054","","","","has coordinates","201120","2020-10-21","18:00:00",""
"4126435","21.8142","0.0005","10.2781","0.0002","18.452","0.0004","90","","91.5231","0.0008","90","","4135.63","0.15","100","2","100","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C47 H60 N4 Ni2 O -","- C47 H60 N4 Ni2 O -","- C188 H240 N16 Ni8 O4 -","4","1","","Hartline, Douglas R.; Zeller, Matthias; Uyeda, Christopher","Catalytic Carbonylative Rearrangement of Norbornadiene via Dinuclear Carbon-Carbon Oxidative Addition.","Journal of the American Chemical Society","2017","","","","","10.1021/jacs.7b08691","","","1.54178","CuKα","","0.0368","0.0315","","","0.0797","0.0832","","","","","","1.04","","","","has coordinates,has disorder","201120","2020-10-21","18:00:00",""
"4126436","11.7473","0.0008","8.3555","0.0004","11.0937","0.0007","90","","92.264","0.003","90","","1088.05","0.11","100","2","100","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C12 H16 O2 -","- C12 H16 O2 -","- C48 H64 O8 -","4","1","","Hartline, Douglas R.; Zeller, Matthias; Uyeda, Christopher","Catalytic Carbonylative Rearrangement of Norbornadiene via Dinuclear Carbon-Carbon Oxidative Addition.","Journal of the American Chemical Society","2017","","","","","10.1021/jacs.7b08691","","","0.71073","MoKα","","0.053","0.0407","","","0.1021","0.1115","","","","","","1.053","","","","has coordinates","201120","2020-10-21","18:00:00",""
"4126437","14.3058","0.0006","14.5681","0.0005","28.6607","0.0012","89.927","0.003","79.223","0.004","64.79","0.004","5288.2","0.4","100","2","100","2","","","","","","","","6","P -1","-P 1","2","","","","- C145 H86 B3 Cl2 F6 N9 -","- C145 H86 B3 Cl2 F6 N9 -","- C290 H172 B6 Cl4 F12 N18 -","2","1","","Ke, Xian-Sheng; Kim, Taeyeon; Lynch, Vincent M.; Kim, Dongho; Sessler, Jonathan L.","Flattened Calixarene-Like Cyclic BODIPY Array: A New Photosynthetic Antenna Model.","Journal of the American Chemical Society","2017","","","","","10.1021/jacs.7b08611","","","1.54184","CuKα","","0.1142","0.0901","","","0.2475","0.2645","","","","","","1.064","","","","has coordinates,has disorder","201121","2020-10-21","18:00:00",""
"4126438","18.5838","0.001","21.7474","0.001","23.3461","0.0011","90","","98.616","0.005","90","","9328.8","0.8","100","2","100","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C228 H168 B6 F12 N18 O0.5 -","- C228 H168 B6 F12 N18 O0.5 -","- C456 H336 B12 F24 N36 O -","2","0.5","","Ke, Xian-Sheng; Kim, Taeyeon; Lynch, Vincent M.; Kim, Dongho; Sessler, Jonathan L.","Flattened Calixarene-Like Cyclic BODIPY Array: A New Photosynthetic Antenna Model.","Journal of the American Chemical Society","2017","","","","","10.1021/jacs.7b08611","","","1.54184","CuKα","","0.1701","0.0957","","","0.2332","0.2926","","","","","","1.023","","","","has coordinates,has disorder","201122","2020-10-21","18:00:00",""
"4126439","14.8595","0.0013","18.9278","0.0017","18.9885","0.0016","113.569","0.003","105.802","0.003","100.532","0.003","4445.1","0.7","123","2","123","2","","","","","","","","6","P -1","-P 1","2","","","","- C92 H104 B3 Cl4 F6 N9 -","- C84 H84 B3 F6 N9 -","- C168 H168 B6 F12 N18 -","2","1","","Ke, Xian-Sheng; Kim, Taeyeon; Lynch, Vincent M.; Kim, Dongho; Sessler, Jonathan L.","Flattened Calixarene-Like Cyclic BODIPY Array: A New Photosynthetic Antenna Model.","Journal of the American Chemical Society","2017","","","","","10.1021/jacs.7b08611","","","0.71073","MoKα","","0.1789","0.0779","","","0.1821","0.2181","","","","","","0.995","","","","has coordinates,has disorder","201123","2020-10-21","18:00:00",""
"4126440","15.28","0.001","15.28","0.001","76.328","0.011","90","","90","","120","","15433","3","173","2","173","2","","","","","","","","6","R -3 c :H","-R 3 2""c","167","","","","- C72 H108 Cl3 Mn7 N24 O27 -","- C72 H108 Cl3 Mn7 N24 O27 -","- C432 H648 Cl18 Mn42 N144 O162 -","6","0.166667","","Guo, Ling-Yu; Su, Hai-Feng; Kurmoo, Mohamedally; Tung, Chen-Ho; Sun, Di; Zheng, Lan-Sun","Core-Shell {Mn7⊆(Mn,Cd)12} Assembled from Core {Mn7} Disc.","Journal of the American Chemical Society","2017","","","","","10.1021/jacs.7b08679","","","0.71073","MoKα","","0.0965","0.0725","","","0.1982","0.2161","","","","","","1.128","","","","has coordinates","201124","2020-10-21","18:00:00",""
"4126441","35.846","0.004","35.846","0.004","13.5509","0.0017","90","","90","","120","","15079","3","173","2","173","2","","","","","","","","7","R -3 :H","-R 3","148","","","","- C132 H210 Cd6 Cl6 Mn13 N66 O54 -","- C132 H210 Cd6 Cl6 Mn13 N66 O54 -","- C396 H630 Cd18 Cl18 Mn39 N198 O162 -","3","0.166667","","Guo, Ling-Yu; Su, Hai-Feng; Kurmoo, Mohamedally; Tung, Chen-Ho; Sun, Di; Zheng, Lan-Sun","Core-Shell {Mn7⊆(Mn,Cd)12} Assembled from Core {Mn7} Disc.","Journal of the American Chemical Society","2017","","","","","10.1021/jacs.7b08679","","","0.71073","MoKα","","0.1078","0.0542","","","0.1262","0.1433","","","","","","0.894","","","","has coordinates","201124","2020-10-21","18:00:00",""
"4126442","23.8415","0.0011","5.6954","0.0003","24.4039","0.0009","90","","99.119","0.001","90","","3271.8","0.3","117","2","117","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C18 H21 I O2 -","- C18 H21 I O2 -","- C144 H168 I8 O16 -","8","2","","Pitzer, Lena; Sandfort, Frederik; Strieth-Kalthoff, Felix; Glorius, Frank","Intermolecular Radical Addition to Carbonyls Enabled by Visible Light Photoredox Initiated Hole Catalysis.","Journal of the American Chemical Society","2017","","","","","10.1021/jacs.7b08086","","","0.71073","MoKα","","0.0604","0.0409","","","0.0835","0.091","","","","","","1.104","","","","has coordinates","201176","2020-10-21","18:00:00",""
"4126443","12.5365","0.0008","5.7239","0.0004","22.1364","0.0014","90","","91.375","0.004","90","","1588","0.18","100","2","100","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C19 H21 N O2 -","- C19 H21 N O2 -","- C76 H84 N4 O8 -","4","1","","Pitzer, Lena; Sandfort, Frederik; Strieth-Kalthoff, Felix; Glorius, Frank","Intermolecular Radical Addition to Carbonyls Enabled by Visible Light Photoredox Initiated Hole Catalysis.","Journal of the American Chemical Society","2017","","","","","10.1021/jacs.7b08086","","","1.54178","CuKα","","0.0597","0.0408","","","0.0961","0.1051","","","","","","1.069","","","","has coordinates","201176","2020-10-21","18:00:00",""
"4126444","6.7894","0.0002","9.3371","0.0003","22.2331","0.0008","90","","90","","90","","1409.43","0.08","100","","100","","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C15 H20 O5 -","- C15 H20 O5 -","- C60 H80 O20 -","4","1","","Liu, Qi; Deng, Yifan; Smith, 3rd, Amos B","Total Synthesis of (-)-Nahuoic Acid Ci (Bii).","Journal of the American Chemical Society","2017","","","","","10.1021/jacs.7b08683","","","1.54178","CuKα","","0.0279","0.0255","","","0.0632","0.064","","","","","","1.026","","","","has coordinates","288221","2023-12-11","22:20:44",""
"4126445","14.316","0.002","17.322","0.003","8.0019","0.0013","90","","90","","90","","1984.3","0.5","100","","100","","","","","","","","","3","P 21 21 2","P 2 2ab","18","","","","- C20 H32 O5 -","- C20 H32 O5 -","- C80 H128 O20 -","4","1","","Liu, Qi; Deng, Yifan; Smith, 3rd, Amos B","Total Synthesis of (-)-Nahuoic Acid Ci (Bii).","Journal of the American Chemical Society","2017","","","","","10.1021/jacs.7b08683","","","1.54178","CuKα","","0.0267","0.0256","","","0.0644","0.0651","","","","","","1.043","","","","has coordinates","201178","2020-10-21","18:00:00",""
"4126446","14.788","0.003","18.134","0.004","28.447","0.006","90","","90","","90","","7629","3","100","2","100","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C40.4 H44.8 Au1.1 Cl1.9 Fe P2 -","- C40.4 H44.8 Au1.1 Cl1.9 Fe P2 -","- C323.2 H358.4 Au8.8 Cl15.2 Fe8 P16 -","8","2","","García-Morales, Cristina; Ranieri, Beatrice; Escofet, Imma; López-Suarez, Laura; Obradors, Carla; Konovalov, Andrey I.; Echavarren, Antonio M.","Enantioselective Synthesis of Cyclobutenes by Intermolecular [2+2] Cycloaddition with Non-C2 Symmetric Digold Catalysts.","Journal of the American Chemical Society","2017","","","","","10.1021/jacs.7b07651","","","0.7107","MoKα","","0.0959","0.0511","","","0.0781","0.1","","","","","","1.151","","","","has coordinates,has disorder","201226","2020-10-21","18:00:00",""
"4126447","8.6631","0.0002","11.5159","0.0003","33.5456","0.0009","90","","90","","90","","3346.62","0.15","100","2","100","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C64 H80 Au4 Cl4 Fe2 P4 -","- C64 H80 Au4 Cl4 Fe2 P4 -","- C128 H160 Au8 Cl8 Fe4 P8 -","2","0.5","","García-Morales, Cristina; Ranieri, Beatrice; Escofet, Imma; López-Suarez, Laura; Obradors, Carla; Konovalov, Andrey I.; Echavarren, Antonio M.","Enantioselective Synthesis of Cyclobutenes by Intermolecular [2+2] Cycloaddition with Non-C2 Symmetric Digold Catalysts.","Journal of the American Chemical Society","2017","","","","","10.1021/jacs.7b07651","","","0.71073","MoKα","","0.026","0.0237","","","0.0476","0.0536","","","","","","1.084","","","","has coordinates","201227","2020-10-21","18:00:00",""
"4126448","10.1094","0.0006","6.1675","0.0004","16.2477","0.0012","90","","91.584","0.006","90","","1012.65","0.12","100","2","100","2","","","","","","","","2","P 1 21 1","P 2yb","4","","","","- C25 H32 -","- C25 H32 -","- C50 H64 -","2","1","","García-Morales, Cristina; Ranieri, Beatrice; Escofet, Imma; López-Suarez, Laura; Obradors, Carla; Konovalov, Andrey I.; Echavarren, Antonio M.","Enantioselective Synthesis of Cyclobutenes by Intermolecular [2+2] Cycloaddition with Non-C2 Symmetric Digold Catalysts.","Journal of the American Chemical Society","2017","","","","","10.1021/jacs.7b07651","","","0.7107","MoKα","","0.1045","0.0703","","","0.1616","0.1777","","","","","","1.044","","","","has coordinates","201228","2020-10-21","18:00:00",""
"4126449","6.0054","0.0007","31.426","0.004","7.3514","0.001","90","","90.918","0.007","90","","1387.2","0.3","100","2","100","2","","","","","","","","3","P 1 21 1","P 2yb","4","","","","- C17 H15 Br -","- C17 H15 Br -","- C68 H60 Br4 -","4","2","","García-Morales, Cristina; Ranieri, Beatrice; Escofet, Imma; López-Suarez, Laura; Obradors, Carla; Konovalov, Andrey I.; Echavarren, Antonio M.","Enantioselective Synthesis of Cyclobutenes by Intermolecular [2+2] Cycloaddition with Non-C2 Symmetric Digold Catalysts.","Journal of the American Chemical Society","2017","","","","","10.1021/jacs.7b07651","","","0.7107","MoKα","","0.0864","0.0791","","","0.1903","0.1934","","","","","","1.174","","","","has coordinates","201229","2020-10-21","18:00:00",""
"4126450","23.1418","0.0014","5.7036","0.0003","15.8393","0.001","90","","101.6","0.0019","90","","2048","0.2","100","2","100","2","","","","","","","","3","C 1 2/c 1","-C 2yc","15","","","","- C28 H24 F2 -","- C28 H24 F2 -","- C112 H96 F8 -","4","0.5","","García-Morales, Cristina; Ranieri, Beatrice; Escofet, Imma; López-Suarez, Laura; Obradors, Carla; Konovalov, Andrey I.; Echavarren, Antonio M.","Enantioselective Synthesis of Cyclobutenes by Intermolecular [2+2] Cycloaddition with Non-C2 Symmetric Digold Catalysts.","Journal of the American Chemical Society","2017","","","","","10.1021/jacs.7b07651","","","0.71073","MoKα","","0.092","0.071","","","0.1474","0.1551","","","","","","1.159","","","","has coordinates","201230","2020-10-21","18:00:00",""
"4126451","15.467","0.0005","6.10912","0.00017","16.5386","0.0005","90","","115.627","0.004","90","","1409","0.09","100","2","100","2","","","","","","","","2","P 1 21 1","P 2yb","4","","","","- C36 H42 -","- C36 H42 -","- C72 H84 -","2","1","","García-Morales, Cristina; Ranieri, Beatrice; Escofet, Imma; López-Suarez, Laura; Obradors, Carla; Konovalov, Andrey I.; Echavarren, Antonio M.","Enantioselective Synthesis of Cyclobutenes by Intermolecular [2+2] Cycloaddition with Non-C2 Symmetric Digold Catalysts.","Journal of the American Chemical Society","2017","","","","","10.1021/jacs.7b07651","","","0.7107","MoKα","","0.0581","0.0422","","","0.1199","0.1351","","","","","","0.725","","","","has coordinates","201231","2020-10-21","18:00:00",""
"4126452","8.3202","0.0003","6.0778","0.0002","16.2853","0.0005","90","","98.97","0.003","90","","813.45","0.05","100","2","100","2","","","","","","","","3","P 1 21 1","P 2yb","4","","","","- C19 H22 S -","- C19 H22 S -","- C38 H44 S2 -","2","1","","García-Morales, Cristina; Ranieri, Beatrice; Escofet, Imma; López-Suarez, Laura; Obradors, Carla; Konovalov, Andrey I.; Echavarren, Antonio M.","Enantioselective Synthesis of Cyclobutenes by Intermolecular [2+2] Cycloaddition with Non-C2 Symmetric Digold Catalysts.","Journal of the American Chemical Society","2017","","","","","10.1021/jacs.7b07651","","","0.7107","MoKα","","0.0581","0.0473","","","0.1222","0.1284","","","","","","1.037","","","","has coordinates","201232","2020-10-21","18:00:00",""
"4126453","10.7462","0.0008","10.3072","0.0009","20.126","0.003","90","","90.695","0.004","90","","2229.1","0.4","100","2","100","2","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C48.5 H45 Au2 Cl3 Fe P2 -","- C48.5 H45 Au2 Cl3 Fe P2 -","- C97 H90 Au4 Cl6 Fe2 P4 -","2","1","","García-Morales, Cristina; Ranieri, Beatrice; Escofet, Imma; López-Suarez, Laura; Obradors, Carla; Konovalov, Andrey I.; Echavarren, Antonio M.","Enantioselective Synthesis of Cyclobutenes by Intermolecular [2+2] Cycloaddition with Non-C2 Symmetric Digold Catalysts.","Journal of the American Chemical Society","2017","","","","","10.1021/jacs.7b07651","","","0.71073","MoKα","","0.0496","0.0408","","","0.0883","0.094","","","","","","1.018","","","","has coordinates,has disorder","201233","2020-10-21","18:00:00",""
"4126454","12.4734","0.0005","12.4985","0.0005","14.5205","0.0006","86.958","0.003","82.364","0.003","80.872","0.003","2214.06","0.16","180.01","0.1","180.01","0.1","","","","","","","","5","P -1","-P 1","2","","","","- C48 H64 Cu Li3 O6 -","- C48 H64 Cu Li3 O6 -","- C96 H128 Cu2 Li6 O12 -","2","1","","Liu, Liang; Zhu, Miaomiao; Yu, Hai-Tao; Zhang, Wen-Xiong; Xi, Zhenfeng","Organocopper(III) Spiro Complexes: Synthesis, Structural Characterization, and Redox Transformation.","Journal of the American Chemical Society","2017","","","","","10.1021/jacs.7b08803","","","0.7107","MoKα","","0.0766","0.0545","","","0.1258","0.1428","","","","","","1.028","","","","has coordinates","201258","2020-10-21","18:00:00",""
"4126455","11.6599","0.0008","18.6539","0.0011","21.2056","0.0016","90","","104.467","0.007","90","","4466","0.5","180.15","","180.15","","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C40 H64 Br Cu Li4 O4 Si2 -","- C40 H64 Br Cu Li4 O4 Si2 -","- C160 H256 Br4 Cu4 Li16 O16 Si8 -","4","1","","Liu, Liang; Zhu, Miaomiao; Yu, Hai-Tao; Zhang, Wen-Xiong; Xi, Zhenfeng","Organocopper(III) Spiro Complexes: Synthesis, Structural Characterization, and Redox Transformation.","Journal of the American Chemical Society","2017","","","","","10.1021/jacs.7b08803","","x-ray","0.7107","MoKα","","0.0751","0.0583","","","0.1384","0.1481","","","","","","1.03","","","","has coordinates","204144","2020-10-21","18:00:00",""
"4126456","16.5275","0.0008","22.2611","0.0009","19.3339","0.0009","90","","106.035","0.005","90","","6836.6","0.6","180","0.1","180","0.1","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C40 H48 Cu Li O4 -","- C40 H48 Cu Li O4 -","- C320 H384 Cu8 Li8 O32 -","8","2","","Liu, Liang; Zhu, Miaomiao; Yu, Hai-Tao; Zhang, Wen-Xiong; Xi, Zhenfeng","Organocopper(III) Spiro Complexes: Synthesis, Structural Characterization, and Redox Transformation.","Journal of the American Chemical Society","2017","","","","","10.1021/jacs.7b08803","","","0.71073","MoKα","","0.0875","0.0514","","","0.1141","0.1349","","","","","","1.016","","","","has coordinates","201258","2020-10-21","18:00:00",""
"4126457","28.2528","0.001","21.4895","0.0007","19.7464","0.0006","90","","129.47","0.002","90","","9254.8","0.6","180","0.1","180","0.1","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C100 H136 Cu2 Li2 O9 -","- C100 H136 Cu2 Li2 O9 -","- C400 H544 Cu8 Li8 O36 -","4","0.5","","Liu, Liang; Zhu, Miaomiao; Yu, Hai-Tao; Zhang, Wen-Xiong; Xi, Zhenfeng","Organocopper(III) Spiro Complexes: Synthesis, Structural Characterization, and Redox Transformation.","Journal of the American Chemical Society","2017","","","","","10.1021/jacs.7b08803","","x-ray","0.71073","MoKα","","0.0795","0.067","","","0.1852","0.2046","","","","","","1.044","","","","has coordinates,has disorder","201258","2020-10-21","18:00:00",""
"4126458","17.38","0.0013","14.6516","0.0008","16.6288","0.001","90","","90","","90","","4234.4","0.5","100.01","0.1","100.01","0.1","","","","","","","","6","P n a 21","P 2c -2n","33","","","","- C40 H66 Cu Li O4 Si2 -","- C40 H66 Cu Li O4 Si2 -","- C160 H264 Cu4 Li4 O16 Si8 -","4","1","","Liu, Liang; Zhu, Miaomiao; Yu, Hai-Tao; Zhang, Wen-Xiong; Xi, Zhenfeng","Organocopper(III) Spiro Complexes: Synthesis, Structural Characterization, and Redox Transformation.","Journal of the American Chemical Society","2017","","","","","10.1021/jacs.7b08803","","","0.7107","MoKα","","0.1375","0.0835","","","0.1955","0.2348","","","","","","1.025","","","","has coordinates","201258","2020-10-21","18:00:00",""
"4126459","10.0119","0.0002","20.7384","0.0003","10.2015","0.0002","90","","106.42","0.002","90","","2031.76","0.07","180","0.1","180","0.1","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","","","- C24 H16 I2 -","- C24 H16 I2 -","- C96 H64 I8 -","4","1","","Liu, Liang; Zhu, Miaomiao; Yu, Hai-Tao; Zhang, Wen-Xiong; Xi, Zhenfeng","Organocopper(III) Spiro Complexes: Synthesis, Structural Characterization, and Redox Transformation.","Journal of the American Chemical Society","2017","","","","","10.1021/jacs.7b08803","","x-ray","0.71073","MoKα","","0.0299","0.029","","","0.0626","0.0629","","","","","","1.265","","","","has coordinates","201258","2020-10-21","18:00:00",""
"4126460","7.4837","0.0003","13.6649","0.0006","9.4899","0.0005","90","","108.138","0.005","90","","922.25","0.08","180","0.2","180","0.2","","","","","","","","5","P 1 21/m 1","-P 2yb","11","","","","- C9 H27 Cu I P3 -","- C9 H27 Cu I P3 -","- C18 H54 Cu2 I2 P6 -","2","0.5","","Liu, Liang; Zhu, Miaomiao; Yu, Hai-Tao; Zhang, Wen-Xiong; Xi, Zhenfeng","Organocopper(III) Spiro Complexes: Synthesis, Structural Characterization, and Redox Transformation.","Journal of the American Chemical Society","2017","","","","","10.1021/jacs.7b08803","","x-ray","0.71073","MoKα","","0.0247","0.0237","","","0.063","0.0637","","","","","","1.068","","","","has coordinates,has disorder","201258","2020-10-21","18:00:00",""
"4126461","7.0375","0.0004","9.3775","0.0004","24.0033","0.0012","90","","97.139","0.003","90","","1571.8","0.14","100","","100","","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C7 H11 N O3 -","- C7 H11 N O3 -","- C56 H88 N8 O24 -","8","2","","Liniger, Marc; Liu, Yiyang; Stoltz, Brian M.","Sequential Ruthenium Catalysis for Olefin Isomerization and Oxidation: Application to the Synthesis of Unusual Amino Acids.","Journal of the American Chemical Society","2017","","","","","10.1021/jacs.7b08496","","","0.71073","MoKα","","0.0507","0.0398","","","0.1045","0.1074","","","","","","1.705","","","","has coordinates","201259","2020-10-21","18:00:00",""
"4126462","7.733","0.003","6.629","0.003","6.587","0.003","90","","90","","90","","337.7","0.3","100","","100","","","","","","","","","5","P m n 21","P 2ac -2","31","","","","- C4 H11 N O2 S -","- C4 H11 N O2 S -","- C8 H22 N2 O4 S2 -","2","0.5","","Liniger, Marc; Liu, Yiyang; Stoltz, Brian M.","Sequential Ruthenium Catalysis for Olefin Isomerization and Oxidation: Application to the Synthesis of Unusual Amino Acids.","Journal of the American Chemical Society","2017","","","","","10.1021/jacs.7b08496","","","0.71073","MoKα","","0.0477","0.0347","","","0.066","0.0696","","","","","","1.02","","","","has coordinates","201260","2020-10-21","18:00:00",""
"4126463","7.5218","0.0005","12.0554","0.0006","18.3287","0.001","90","","90","","90","","1662.02","0.17","100","2","100","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C8 H12 N2 O2 -","- C8 H12 N2 O2 -","- C64 H96 N16 O16 -","8","1","","Liniger, Marc; Liu, Yiyang; Stoltz, Brian M.","Sequential Ruthenium Catalysis for Olefin Isomerization and Oxidation: Application to the Synthesis of Unusual Amino Acids.","Journal of the American Chemical Society","2017","","","","","10.1021/jacs.7b08496","","","0.71073","MoKα","","0.05","0.0415","","","0.1107","0.1173","","","","","","1.071","","","","has coordinates","201261","2020-10-21","18:00:00",""
"4126464","10.3502","0.0005","12.3986","0.0005","10.665","0.0005","90","","114.106","0.002","90","","1249.26","0.1","100","","100","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C13 H17 N O3 -","- C13 H17 N O3 -","- C52 H68 N4 O12 -","4","1","","Liniger, Marc; Liu, Yiyang; Stoltz, Brian M.","Sequential Ruthenium Catalysis for Olefin Isomerization and Oxidation: Application to the Synthesis of Unusual Amino Acids.","Journal of the American Chemical Society","2017","","","","","10.1021/jacs.7b08496","","","0.71073","MoKα","","0.0721","0.0461","","","0.1186","0.1331","","","","","","1.037","","","","has coordinates","201262","2020-10-21","18:00:00",""
"4126465","5.4402","0.0003","7.1156","0.0004","10.9891","0.0005","98.224","0.003","101.633","0.003","108.971","0.003","383.9","0.04","100","2","100","2","","","","","","","","4","P -1","-P 1","2","","","","- C7 H14 N2 O -","- C7 H14 N2 O -","- C14 H28 N4 O2 -","2","1","","Liniger, Marc; Liu, Yiyang; Stoltz, Brian M.","Sequential Ruthenium Catalysis for Olefin Isomerization and Oxidation: Application to the Synthesis of Unusual Amino Acids.","Journal of the American Chemical Society","2017","","","","","10.1021/jacs.7b08496","","","0.71073","MoKα","","0.0442","0.0353","","","0.0949","0.1","","","","","","1.058","","","","has coordinates","201263","2020-10-21","18:00:00",""
"4126466","9.7978","0.0003","9.7978","0.0003","30.836","0.0009","90","","90","","90","","2960.16","0.15","100","2","100","2","","","","","","","","5","P 43 21 2","P 4nw 2abw","96","","","","- C11 H23 N O4 S -","- C11 H23 N O4 S -","- C88 H184 N8 O32 S8 -","8","1","","Liniger, Marc; Liu, Yiyang; Stoltz, Brian M.","Sequential Ruthenium Catalysis for Olefin Isomerization and Oxidation: Application to the Synthesis of Unusual Amino Acids.","Journal of the American Chemical Society","2017","","","","","10.1021/jacs.7b08496","","","0.71073","MoKα","","0.0304","0.0279","","","0.0702","0.0718","","","","","","1.069","","","","has coordinates","201264","2020-10-21","18:00:00",""
"4126467","8.2736","0.0004","10.1225","0.0004","17.1621","0.0007","90","","90","","90","","1437.32","0.11","100","2","100","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C15 H20 N2 O3 -","- C15 H20 N2 O3 -","- C60 H80 N8 O12 -","4","1","","Liniger, Marc; Liu, Yiyang; Stoltz, Brian M.","Sequential Ruthenium Catalysis for Olefin Isomerization and Oxidation: Application to the Synthesis of Unusual Amino Acids.","Journal of the American Chemical Society","2017","","","","","10.1021/jacs.7b08496","","","1.54178","CuKα","","0.0316","0.0295","","","0.0705","0.0719","","","","","","1.091","","","","has coordinates","201265","2020-10-21","18:00:00",""
"4126468","22.4726","0.0011","7.5874","0.0004","10.1108","0.0005","90","","94.969","0.003","90","","1717.5","0.15","100","","100","","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C8 H13 N O3 -","- C8 H13 N O3 -","- C64 H104 N8 O24 -","8","1","","Liniger, Marc; Liu, Yiyang; Stoltz, Brian M.","Sequential Ruthenium Catalysis for Olefin Isomerization and Oxidation: Application to the Synthesis of Unusual Amino Acids.","Journal of the American Chemical Society","2017","","","","","10.1021/jacs.7b08496","","","0.71073","MoKα","","0.0401","0.0319","","","0.0906","0.0957","","","","","","1.082","","","","has coordinates","201266","2020-10-21","18:00:00",""
"4126469","15.0567","0.0006","15.0567","0.0006","7.3781","0.0003","90","","90","","90","","1672.65","0.12","100","2","100","2","","","","","","","","4","I 4","I 4","79","","","","- C6 H14 Cl N -","- C6 H14 Cl N -","- C48 H112 Cl8 N8 -","8","1","","Liniger, Marc; Liu, Yiyang; Stoltz, Brian M.","Sequential Ruthenium Catalysis for Olefin Isomerization and Oxidation: Application to the Synthesis of Unusual Amino Acids.","Journal of the American Chemical Society","2017","","","","","10.1021/jacs.7b08496","","","0.71073","MoKα","","0.0338","0.0277","","","0.049","0.0506","","","","","","1.075","","","","has coordinates","201267","2020-10-21","18:00:00",""
"4126470","11.9551","0.0007","10.7898","0.0007","12.9431","0.0009","90","","114.629","0.002","90","","1517.68","0.17","100","2","100","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C13.97 H17.97 I0.03 N2 O7.94 -","- C13.968 H17.968 I0.032 N2 O7.936 -","- C55.872 H71.872 I0.128 N8 O31.744 -","4","1","","Liniger, Marc; Liu, Yiyang; Stoltz, Brian M.","Sequential Ruthenium Catalysis for Olefin Isomerization and Oxidation: Application to the Synthesis of Unusual Amino Acids.","Journal of the American Chemical Society","2017","","","","","10.1021/jacs.7b08496","","","0.71073","MoKα","","0.0851","0.0566","","","0.1448","0.154","","","","","","1.054","","","","has coordinates,has disorder","201268","2020-10-21","18:00:00",""
"4126471","7.2061","0.0003","10.2681","0.0005","22.5477","0.001","90","","94.415","0.002","90","","1663.42","0.13","100","2","100","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C14 H20 N2 O6 S -","- C14 H20 N2 O6 S -","- C56 H80 N8 O24 S4 -","4","2","","Liniger, Marc; Liu, Yiyang; Stoltz, Brian M.","Sequential Ruthenium Catalysis for Olefin Isomerization and Oxidation: Application to the Synthesis of Unusual Amino Acids.","Journal of the American Chemical Society","2017","","","","","10.1021/jacs.7b08496","","","1.54178","CuKα","","0.0358","0.0338","","","0.0802","0.0812","","","","","","1.02","","","","has coordinates","201269","2020-10-21","18:00:00",""
"4126472","12.712","0.0004","5.4745","0.0002","12.941","0.0004","90","","105.17","0.0012","90","","869.21","0.05","100","2","100","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C8 H13 N O3 -","- C8 H13 N O3 -","- C32 H52 N4 O12 -","4","2","","Liniger, Marc; Liu, Yiyang; Stoltz, Brian M.","Sequential Ruthenium Catalysis for Olefin Isomerization and Oxidation: Application to the Synthesis of Unusual Amino Acids.","Journal of the American Chemical Society","2017","","","","","10.1021/jacs.7b08496","","","1.54178","CuKα","","0.0288","0.0268","","","0.0676","0.0689","","","","","","1.047","","","","has coordinates","201270","2020-10-21","18:00:00",""
"4126473","10.4844","0.0003","11.3186","0.0003","12.8247","0.0003","90","","110.217","0.001","90","","1428.13","0.07","100","2","100","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C11 H23 N O4 S -","- C11 H23 N O4 S -","- C44 H92 N4 O16 S4 -","4","2","","Liniger, Marc; Liu, Yiyang; Stoltz, Brian M.","Sequential Ruthenium Catalysis for Olefin Isomerization and Oxidation: Application to the Synthesis of Unusual Amino Acids.","Journal of the American Chemical Society","2017","","","","","10.1021/jacs.7b08496","","","0.71073","MoKα","","0.0547","0.036","","","0.0752","0.0793","","","","","","1.029","","","","has coordinates","201271","2020-10-21","18:00:00",""
"4126474","18.7656","0.0013","41.726","0.003","14.4668","0.001","90","","90","","90","","11327.7","1.4","100","2","100","2","","","","","","","","8","P 21 21 2","P 2 2ab","18","","N,N'-((11bS,11b'S)-azanediylbis(2,6-bis(3,5-bis(pentafluoro- 1^6^-sulfanyl)phenyl)-41^5^-dinaphtho[2,1-d:1',2'- f][1,3,2]dioxaphosphepine-4-yl-4-ylidene))bis(1,1,1- trifluoromethanesulfonamide) dichloromethane hexane solute","","- C83.2 H33 Cl3.8 F44.8 N3 O7.2 P2 S10 -","- C83.2 H33 Cl3.8 F44.8 N3 O7.2 P2 S10 -","- C332.8 H132 Cl15.2 F179.2 N12 O28.8 P8 S40 -","4","1","","Liu, Luping; Kim, Hyejin; Xie, Youwei; Farès, Christophe; Kaib, Philip S. J.; Goddard, Richard; List, Benjamin","Catalytic Asymmetric [4+2]-Cycloaddition of Dienes with Aldehydes","Journal of the American Chemical Society","2017","","","","","10.1021/jacs.7b08357","","","1.54178","Cu-Kα","","0.0785","0.0674","","","0.1847","0.192","","","","","","1.513","","","","has coordinates,has disorder","201272","2020-10-21","18:00:00",""
"4126475","6.836","0.002","11.5511","0.0009","15.3107","0.0009","90","","90","","90","","1209","0.4","100","2","100","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","(R)-2-(4-bromophenyl)-4,5-dimethyl-3,6-dihydro-2H-pyran","","- C13 H15 Br O -","- C13 H15 Br O -","- C52 H60 Br4 O4 -","4","1","","Liu, Luping; Kim, Hyejin; Xie, Youwei; Farès, Christophe; Kaib, Philip S. J.; Goddard, Richard; List, Benjamin","Catalytic Asymmetric [4+2]-Cycloaddition of Dienes with Aldehydes","Journal of the American Chemical Society","2017","","","","","10.1021/jacs.7b08357","","","0.71073","MoKα","","0.022","0.0203","","","0.0521","0.053","","","","","","1.109","","","","has coordinates","201273","2020-10-21","18:00:00",""
"4126476","9.016","0.007","10.118","0.008","13.759","0.01","92.246","0.009","90.542","0.011","103.13","0.015","1221.2","1.6","143","2","143","2","","","","","","","","5","P -1","-P 1","2","","","","- C22 H12 Co N2 O4 -","- C22 H12 Co N2 O4 -","- C44 H24 Co2 N4 O8 -","2","1","","Fujiwara, Yu-Ichi; Kadota, Kentaro; Nagarkar, Sanjog S.; Tobori, Prof Norio; Kitagawa, Susumu; Horike, Satoshi","Synthesis of Oligodiacetylene Derivatives from Flexible Porous Coordination Frameworks.","Journal of the American Chemical Society","2017","","","","","10.1021/jacs.7b07699","","","0.71075","MoKα","","0.0677","0.0532","","","0.1292","0.1371","","","","","","1.041","","","","has coordinates","201274","2020-10-21","18:00:00",""
"4126477","9.022","0.004","12.603","0.006","13.67","0.006","93.062","0.011","90.971","0.01","101.218","0.009","1521.9","1.2","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C33 H32 N4 O7 Zn -","- C33 H32 N4 O7 Zn -","- C66 H64 N8 O14 Zn2 -","2","1","","Fujiwara, Yu-Ichi; Kadota, Kentaro; Nagarkar, Sanjog S.; Tobori, Prof Norio; Kitagawa, Susumu; Horike, Satoshi","Synthesis of Oligodiacetylene Derivatives from Flexible Porous Coordination Frameworks.","Journal of the American Chemical Society","2017","","","","","10.1021/jacs.7b07699","","","0.71075","MoKα","","0.1545","0.0945","","","0.2091","0.2472","","","","","","1.057","","","","has coordinates","201275","2020-10-21","18:00:00",""
"4126478","9.215","0.004","10.116","0.004","13.616","0.006","87.602","0.017","88.566","0.016","77.818","0.009","1239.4","0.9","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C22 H12 Cu N2 O4 -","- C22 H12 Cu N2 O4 -","- C44 H24 Cu2 N4 O8 -","2","1","","Fujiwara, Yu-Ichi; Kadota, Kentaro; Nagarkar, Sanjog S.; Tobori, Prof Norio; Kitagawa, Susumu; Horike, Satoshi","Synthesis of Oligodiacetylene Derivatives from Flexible Porous Coordination Frameworks.","Journal of the American Chemical Society","2017","","","","","10.1021/jacs.7b07699","","","0.71075","MoKα","","0.0623","0.0513","","","0.136","0.1449","","","","","","1.048","","","","has coordinates","201276","2020-10-21","18:00:00",""
"4126479","9.129","0.009","10.152","0.009","13.569","0.012","91.57","0.02","91.435","0.018","102.99","0.02","1224","2","143","2","143","2","","","","","","","","5","P -1","-P 1","2","","","","- C22 H12 N2 O4 Zn -","- C22 H12 N2 O4 Zn -","- C44 H24 N4 O8 Zn2 -","2","1","","Fujiwara, Yu-Ichi; Kadota, Kentaro; Nagarkar, Sanjog S.; Tobori, Prof Norio; Kitagawa, Susumu; Horike, Satoshi","Synthesis of Oligodiacetylene Derivatives from Flexible Porous Coordination Frameworks.","Journal of the American Chemical Society","2017","","","","","10.1021/jacs.7b07699","","","0.71075","MoKα","","0.2282","0.1236","","","0.2725","0.3269","","","","","","1.313","","","","has coordinates","201277","2020-10-21","18:00:00",""
"4126480","9.012","0.008","10.126","0.009","13.799","0.012","92.606","0.012","90.37","0.017","102.78","0.02","1226.6","1.9","143","2","143","2","","","","","","","","5","P -1","-P 1","2","","","","- C22 H12 N2 O4 Zn -","- C22 H12 N2 O4 Zn -","- C44 H24 N4 O8 Zn2 -","2","1","","Fujiwara, Yu-Ichi; Kadota, Kentaro; Nagarkar, Sanjog S.; Tobori, Prof Norio; Kitagawa, Susumu; Horike, Satoshi","Synthesis of Oligodiacetylene Derivatives from Flexible Porous Coordination Frameworks.","Journal of the American Chemical Society","2017","","","","","10.1021/jacs.7b07699","","","0.71075","MoKα","","0.0654","0.0594","","","0.1783","0.1933","","","","","","0.833","","","","has coordinates","201278","2020-10-21","18:00:00",""
"4126481","16.3878","0.0004","16.6254","0.0004","22.655","0.0006","90","","90","","90","","6172.4","0.3","100","2","100","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C33 H37 Cl2 N3 Ru -","- C33 H37 Cl2 N3 Ru -","- C264 H296 Cl16 N24 Ru8 -","8","1","","Walsh, Dylan J.; Lau, Sii Hong; Hyatt, Michael G.; Guironnet, Damien","Kinetic Study of Living Ring-Opening Metathesis Polymerization with Third-Generation Grubbs Catalysts","Journal of the American Chemical Society","2017","","","","","10.1021/jacs.7b08010","","","0.71073","MoKα","","0.0393","0.0313","","","0.0715","0.0756","","","","","","1.032","","","","has coordinates,has disorder","201279","2020-10-21","18:00:00",""
"4126482","7.3208","0.0006","18.2693","0.0018","15.3665","0.0013","90","","99.887","0.005","90","","2024.7","0.3","223.15","","223.15","","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C18 H18 N3 O7 Re -","- C18 H18 N3 O7 Re -","- C72 H72 N12 O28 Re4 -","4","1","","Knopf, Kevin M.; Murphy, Brendan L.; MacMillan, Samantha N.; Baskin, Jeremy M.; Barr, Martin P.; Boros, Eszter; Wilson, Justin J.","In Vitro Anticancer Activity and in Vivo Biodistribution of Rhenium(I) Tricarbonyl Aqua Complexes","Journal of the American Chemical Society","2017","","","","","10.1021/jacs.7b08640","","","0.71073","MoKα","","0.038","0.0305","","","0.0688","0.0722","","","","","","1.094","","","","has coordinates","201311","2020-10-21","18:00:00",""
"4126483","9.9967","0.0007","17.2578","0.0012","12.1669","0.0009","90","","97.033","0.003","90","","2083.3","0.3","223","2","223.15","","","","","","","","","8","P 1 21/n 1","-P 2yn","14","","","","- C17 H15 B0.93 Cl0.07 F3.73 N3 O5 Re -","- C17 H15 B0.932 Cl0.068 F3.728 N3 O5 Re -","- C68 H60 B3.728 Cl0.272 F14.912 N12 O20 Re4 -","4","1","","Knopf, Kevin M.; Murphy, Brendan L.; MacMillan, Samantha N.; Baskin, Jeremy M.; Barr, Martin P.; Boros, Eszter; Wilson, Justin J.","In Vitro Anticancer Activity and in Vivo Biodistribution of Rhenium(I) Tricarbonyl Aqua Complexes","Journal of the American Chemical Society","2017","","","","","10.1021/jacs.7b08640","","","0.71073","MoKα","","0.0259","0.0202","","","0.0426","0.0444","","","","","","1.034","","","","has coordinates,has disorder","201311","2020-10-21","18:00:00",""
"4126484","9.3515","0.0008","9.5031","0.0008","13.1788","0.0011","74.264","0.004","89.405","0.004","85.789","0.004","1124.18","0.17","223","2","223","2","","","","","","","","7","P -1","-P 1","2","","","","- C18 H12 F3 N2 O10 Re S -","- C18 H12 F3 N2 O10 Re S -","- C36 H24 F6 N4 O20 Re2 S2 -","2","1","","Knopf, Kevin M.; Murphy, Brendan L.; MacMillan, Samantha N.; Baskin, Jeremy M.; Barr, Martin P.; Boros, Eszter; Wilson, Justin J.","In Vitro Anticancer Activity and in Vivo Biodistribution of Rhenium(I) Tricarbonyl Aqua Complexes","Journal of the American Chemical Society","2017","","","","","10.1021/jacs.7b08640","","","0.71073","MoKα","","0.0216","0.0198","","","0.0436","0.0443","","","","","","1.097","","","","has coordinates","201311","2020-10-21","18:00:00",""
"4126485","8.7357","0.0005","11.469","0.0007","12.1592","0.0007","64.877","0.003","88.601","0.002","75.881","0.002","1065.31","0.11","223","2","223","2","","","","","","","","7","P -1","-P 1","2","","","","- C18 H14 F3 N2 O7 Re S -","- C18 H14 F3 N2 O7 Re S -","- C36 H28 F6 N4 O14 Re2 S2 -","2","1","","Knopf, Kevin M.; Murphy, Brendan L.; MacMillan, Samantha N.; Baskin, Jeremy M.; Barr, Martin P.; Boros, Eszter; Wilson, Justin J.","In Vitro Anticancer Activity and in Vivo Biodistribution of Rhenium(I) Tricarbonyl Aqua Complexes","Journal of the American Chemical Society","2017","","","","","10.1021/jacs.7b08640","","","0.71073","MoKα","","0.0308","0.0261","","","0.0622","0.0642","","","","","","1.064","","","","has coordinates","201311","2020-10-21","18:00:00",""
"4126486","12.275","0.004","7.969","0.002","23.509","0.007","90","","93.269","0.003","90","","2295.9","1.2","110","2","110","2","","","","","","","","8","P 1 21/c 1","-P 2ybc","14","","","","- C19 H17 Cl F6 N4 O3 P Re -","- C19 H17 Cl F6 N4 O3 P Re -","- C76 H68 Cl4 F24 N16 O12 P4 Re4 -","4","1","","Sung, Siyoung; Kumar, Davinder; Gil-Sepulcre, Marcos; Nippe, Michael","Electrocatalytic CO2 Reduction by Imidazolium-Functionalized Molecular Catalysts.","Journal of the American Chemical Society","2017","","","","","10.1021/jacs.7b07709","","","0.71073","MoKα","","0.0365","0.0332","","","0.0773","0.0789","","","","","","1.088","","","","has coordinates,has disorder","201375","2020-10-21","18:00:00",""
"4126487","24.139","0.005","7.2702","0.0014","13.564","0.003","90","","96.275","0.01","90","","2366.2","0.9","110","2","110","2","","","","","","","","8","P 1 21/c 1","-P 2ybc","14","","","","- C20 H19 Cl F6 N4 O3 P Re -","- C20 H19 Cl F6 N4 O3 P Re -","- C80 H76 Cl4 F24 N16 O12 P4 Re4 -","4","1","","Sung, Siyoung; Kumar, Davinder; Gil-Sepulcre, Marcos; Nippe, Michael","Electrocatalytic CO2 Reduction by Imidazolium-Functionalized Molecular Catalysts.","Journal of the American Chemical Society","2017","","","","","10.1021/jacs.7b07709","","","0.71073","MoKα","","0.0715","0.0419","","","0.0967","0.1186","","","","","","1.058","","","","has coordinates","201376","2020-10-21","18:00:00",""
"4126488","11.4756","0.0003","12.1783","0.0003","17.3054","0.0005","82.947","0.001","81.975","0.002","64.991","0.001","2164.78","0.1","150","","150","","","","","","","","","6","P -1","-P 1","2","","","","- C43.5 H61.5 B Cl Fe N6 -","- C43.5 H61.5 B Cl Fe N6 -","- C87 H123 B2 Cl2 Fe2 N12 -","2","1","","Martinez, Jorge L.; Lin, Hsiu-Jung; Lee, Wei-Tsung; Pink, Maren; Chen, Chun-Hsing; Gao, Xinfeng; Dickie, Diane A.; Smith, Jeremy M.","Cyanide Ligand Assembly by Carbon Atom Transfer to an Iron Nitride.","Journal of the American Chemical Society","2017","","","","","10.1021/jacs.7b08704","","","0.71073","MoKα","","0.0499","0.0431","","0.1175","0.1102","0.1175","","","","","","0.9964","","","","has coordinates,has disorder","201377","2020-10-21","18:00:00",""
"4126489","10.302","0.002","10.302","0.002","19.677","0.004","90","","90","","120","","1808.6","0.6","100","2","100","2","","","","","","","","5","P -3","-P 3","147","WTL-67","","","- C33 H50 B Fe N7 -","- C33.0001 H50.0001 B Fe N7 -","- C66.0002 H100 B2 Fe2 N14 -","2","0.333333","","Martinez, Jorge L.; Lin, Hsiu-Jung; Lee, Wei-Tsung; Pink, Maren; Chen, Chun-Hsing; Gao, Xinfeng; Dickie, Diane A.; Smith, Jeremy M.","Cyanide Ligand Assembly by Carbon Atom Transfer to an Iron Nitride.","Journal of the American Chemical Society","2017","","","","","10.1021/jacs.7b08704","","","0.71073","MoKα","","0.1633","0.0848","","","0.1987","0.2492","","","","","","0.996","","","","has coordinates","201377","2020-10-21","18:00:00",""
"4126490","16.3404","0.0008","19.2823","0.001","18.4178","0.001","90","","103.287","0.002","90","","5647.7","0.5","150","2","150","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C55 H90 B Fe N11 O1.5 -","- C55 H90 B Fe N11 O1.5 -","- C220 H360 B4 Fe4 N44 O6 -","4","1","","Martinez, Jorge L.; Lin, Hsiu-Jung; Lee, Wei-Tsung; Pink, Maren; Chen, Chun-Hsing; Gao, Xinfeng; Dickie, Diane A.; Smith, Jeremy M.","Cyanide Ligand Assembly by Carbon Atom Transfer to an Iron Nitride.","Journal of the American Chemical Society","2017","","","","","10.1021/jacs.7b08704","","","0.71073","MoKα","","0.0574","0.0417","","","0.1005","0.1087","","","","","","1.031","","","","has coordinates,has disorder","201377","2020-10-21","18:00:00",""
"4126491","16.3579","0.0008","19.2761","0.001","18.4105","0.0009","90","","103.274","0.003","90","","5650","0.5","150","","150","","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C54 H86 B Fe N9 O2 -","- C54 H86 B Fe N9 O2 -","- C216 H344 B4 Fe4 N36 O8 -","4","1","","Martinez, Jorge L.; Lin, Hsiu-Jung; Lee, Wei-Tsung; Pink, Maren; Chen, Chun-Hsing; Gao, Xinfeng; Dickie, Diane A.; Smith, Jeremy M.","Cyanide Ligand Assembly by Carbon Atom Transfer to an Iron Nitride.","Journal of the American Chemical Society","2017","","","","","10.1021/jacs.7b08704","","","0.71073","MoKα","","0.0527","0.0407","","0.1139","0.1041","0.1139","","","","","","1.0023","","","","has coordinates","201377","2020-10-21","18:00:00",""
"4126492","27.7197","0.0007","13.8984","0.0003","19.1919","0.0005","90","","90.011","0.002","90","","7393.9","0.3","123","2","123","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C34 H58 As4 Fe2 -","- C34 H58 As4 Fe2 -","- C272 H464 As32 Fe16 -","8","1","","Schmidt, Monika; Seitz, Andreas E.; Eckhardt, Maria; Balázs, Gábor; Peresypkina, Eugenia V.; Virovets, Alexander V.; Riedlberger, Felix; Bodensteiner, Michael; Zolnhofer, Eva M.; Meyer, Karsten; Scheer, Manfred","Transfer Reagent for Bonding Isomers of Iron Complexes.","Journal of the American Chemical Society","2017","","","","","10.1021/jacs.7b07354","","","1.54178","CuKα","","0.038","0.0375","","","0.0941","0.0944","","","","","","1.178","","","","has coordinates","201457","2020-10-21","18:00:00",""
"4126493","31.10717","0.00018","22.29586","0.00014","19.62199","0.00012","90","","90","","90","","13609","0.14","122.8","0.7","122.8","0.7","","","","","","","","7","P n c 2","P 2 -2bc","30","","","","- C80.5 H71 As5 B Cl F4 Fe2 -","- C80.5 H71 As5 B Cl F4 Fe2 -","- C644 H568 As40 B8 Cl8 F32 Fe16 -","8","2","","Schmidt, Monika; Seitz, Andreas E.; Eckhardt, Maria; Balázs, Gábor; Peresypkina, Eugenia V.; Virovets, Alexander V.; Riedlberger, Felix; Bodensteiner, Michael; Zolnhofer, Eva M.; Meyer, Karsten; Scheer, Manfred","Transfer Reagent for Bonding Isomers of Iron Complexes.","Journal of the American Chemical Society","2017","","","","","10.1021/jacs.7b07354","","x-ray","1.54178","CuKα","","0.0258","0.0238","","","0.0584","0.0589","","","","","","0.999","","","","has coordinates,has disorder","287897","2023-11-30","16:40:40",""
"4126494","10.4713","0.0001","18.766","0.0002","21.9729","0.0002","90","","90","","90","","4317.77","0.07","123","2","123","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C39 H63 As5 Zr2 -","- C39 H63 As5 Zr2 -","- C156 H252 As20 Zr8 -","4","1","","Schmidt, Monika; Seitz, Andreas E.; Eckhardt, Maria; Balázs, Gábor; Peresypkina, Eugenia V.; Virovets, Alexander V.; Riedlberger, Felix; Bodensteiner, Michael; Zolnhofer, Eva M.; Meyer, Karsten; Scheer, Manfred","Transfer Reagent for Bonding Isomers of Iron Complexes.","Journal of the American Chemical Society","2017","","","","","10.1021/jacs.7b07354","","x-ray","1.54178","CuKα","","0.0221","0.0204","","","0.0462","0.0466","","","","","","0.99","","","","has coordinates","201459","2020-10-21","18:00:00",""
"4126495","10.03997","0.00019","31.678","0.0005","19.6456","0.0004","90","","94.0053","0.0017","90","","6232.9","0.2","123","1","123","1","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C80 H70 As4 Fe2 -","- C80 H70 As4 Fe2 -","- C320 H280 As16 Fe8 -","4","1","","Schmidt, Monika; Seitz, Andreas E.; Eckhardt, Maria; Balázs, Gábor; Peresypkina, Eugenia V.; Virovets, Alexander V.; Riedlberger, Felix; Bodensteiner, Michael; Zolnhofer, Eva M.; Meyer, Karsten; Scheer, Manfred","Transfer Reagent for Bonding Isomers of Iron Complexes.","Journal of the American Chemical Society","2017","","","","","10.1021/jacs.7b07354","","x-ray","1.54184","CuKα","","0.0395","0.0351","","","0.096","0.0999","","","","","","1.057","","","","has coordinates","201460","2020-10-21","18:00:00",""
"4126496","14.598","0.0002","13.8302","0.0002","18.4082","0.0003","90","","102.137","0.002","90","","3633.42","0.1","123","0.2","123","0.2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C136 H232 As16 Fe8 -","- C136 H232 As16 Fe8 -","- C136 H232 As16 Fe8 -","1","0.25","","Schmidt, Monika; Seitz, Andreas E.; Eckhardt, Maria; Balázs, Gábor; Peresypkina, Eugenia V.; Virovets, Alexander V.; Riedlberger, Felix; Bodensteiner, Michael; Zolnhofer, Eva M.; Meyer, Karsten; Scheer, Manfred","Transfer Reagent for Bonding Isomers of Iron Complexes.","Journal of the American Chemical Society","2017","","","","","10.1021/jacs.7b07354","","","1.54178","CuKα","","0.0406","0.0371","","","0.1099","0.1119","","","","","","1.038","","","","has coordinates","201461","2020-10-21","18:00:00",""
"4126497","14.4698","0.0006","13.3487","0.0005","16.8563","0.0008","90","","114.728","0.005","90","","2957.3","0.2","123","0.2","123","0.2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C26 H42 As4 Zr -","- C26 H42 As4 Zr -","- C104 H168 As16 Zr4 -","4","1","","Schmidt, Monika; Seitz, Andreas E.; Eckhardt, Maria; Balázs, Gábor; Peresypkina, Eugenia V.; Virovets, Alexander V.; Riedlberger, Felix; Bodensteiner, Michael; Zolnhofer, Eva M.; Meyer, Karsten; Scheer, Manfred","Transfer Reagent for Bonding Isomers of Iron Complexes.","Journal of the American Chemical Society","2017","","","","","10.1021/jacs.7b07354","","x-ray","0.71073","MoKα","","0.0411","0.0248","","","0.0452","0.0466","","","","","","0.877","","","","has coordinates,has disorder","201462","2020-10-21","18:00:00",""
"4126498","6.4883","0.0004","15.1483","0.001","13.0405","0.0009","90","","97.214","0.002","90","","1271.56","0.14","100","2","100.01","","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C5 H2 Ag F6 Fe O6 Sb -","- C5 H2 Ag F6 Fe O6 Sb -","- C20 H8 Ag4 F24 Fe4 O24 Sb4 -","4","1","","Wang, Guocang; Ceylan, Yavuz S.; Cundari, Thomas R.; Dias, H. V. Rasika","Heterobimetallic Silver‒Iron Complexes Involving Fe(CO)5 Ligands","Journal of the American Chemical Society","2017","","","","","10.1021/jacs.7b08595","","","0.71073","MoKα","","0.0467","0.0463","","","0.1269","0.1271","","","","","","1.298","","","","has coordinates,has disorder","201464","2020-10-21","18:00:00",""
"4126499","23.7843","0.0011","13.406","0.0006","17.1448","0.0014","90","","132.317","0.001","90","","4042.2","0.4","103","2","102.68","","","","","","","","","7","C 1 2/c 1","-C 2yc","15","","","","- C37 H12 Ag B F24 Fe O5 -","- C37 H12 Ag B F24 Fe O5 -","- C148 H48 Ag4 B4 F96 Fe4 O20 -","4","0.5","","Wang, Guocang; Ceylan, Yavuz S.; Cundari, Thomas R.; Dias, H. V. Rasika","Heterobimetallic Silver‒Iron Complexes Involving Fe(CO)5 Ligands","Journal of the American Chemical Society","2017","","","","","10.1021/jacs.7b08595","","","0.71073","MoKα","","0.0335","0.0293","","","0.0774","0.0801","","","","","","1.049","","","","has coordinates","201464","2020-10-21","18:00:00",""
"4126500","12.6321","0.0004","14.4148","0.0005","14.8557","0.0005","80.642","0.001","75.059","0.001","84.106","0.001","2573.58","0.15","100","2","99.96","","","","","","","","","8","P -1","-P 1","2","","","","- C49 H24 Ag B F24 Fe N2 O5 -","- C49 H24 Ag B F24 Fe N2 O5 -","- C98 H48 Ag2 B2 F48 Fe2 N4 O10 -","2","1","","Wang, Guocang; Ceylan, Yavuz S.; Cundari, Thomas R.; Dias, H. V. Rasika","Heterobimetallic Silver‒Iron Complexes Involving Fe(CO)5 Ligands","Journal of the American Chemical Society","2017","","","","","10.1021/jacs.7b08595","","","0.71073","MoKα","","0.0427","0.0362","","","0.0891","0.0936","","","","","","1.02","","","","has coordinates,has disorder","201464","2020-10-21","18:00:00",""
"4126501","14.3046","0.0005","17.179","0.0006","21.7859","0.0009","90","","108.165","0.001","90","","5086.8","0.3","100","2","100","","","","","","","","","7","C 1 2/c 1","-C 2yc","15","","","","- C42 H12 Ag B F24 Fe2 O10 -","- C42 H12 Ag B F24 Fe2 O10 -","- C168 H48 Ag4 B4 F96 Fe8 O40 -","4","0.5","","Wang, Guocang; Ceylan, Yavuz S.; Cundari, Thomas R.; Dias, H. V. Rasika","Heterobimetallic Silver‒Iron Complexes Involving Fe(CO)5 Ligands","Journal of the American Chemical Society","2017","","","","","10.1021/jacs.7b08595","","","0.71073","MoKα","","0.0386","0.0311","","","0.0765","0.0803","","","","","","1.024","","","","has coordinates,has disorder","201464","2020-10-21","18:00:00",""
"4126502","12.3286","0.0007","18.3683","0.001","22.2169","0.0013","90","","90.517","0.002","90","","5030.9","0.5","100","2","100","","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C44 H42 Ag B F24 O3 -","- C44 H42 Ag B F24 O3 -","- C176 H168 Ag4 B4 F96 O12 -","4","1","","Wang, Guocang; Ceylan, Yavuz S.; Cundari, Thomas R.; Dias, H. V. Rasika","Heterobimetallic Silver‒Iron Complexes Involving Fe(CO)5 Ligands","Journal of the American Chemical Society","2017","","","","","10.1021/jacs.7b08595","","","0.71073","MoKα","","0.0638","0.0441","","","0.0976","0.1053","","","","","","1.064","","","","has coordinates,has disorder","201464","2020-10-21","18:00:00",""
"4126503","24.7661","0.0008","9.2289","0.0003","34.1516","0.0012","90","","94.993","0.001","90","","7776.2","0.4","100","2","99.99","","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C86 H78 Ag B F24 P2 -","- C86 H78 Ag B F24 P2 -","- C344 H312 Ag4 B4 F96 P8 -","4","0.5","","Wang, Guocang; Ceylan, Yavuz S.; Cundari, Thomas R.; Dias, H. V. Rasika","Heterobimetallic Silver‒Iron Complexes Involving Fe(CO)5 Ligands","Journal of the American Chemical Society","2017","","","","","10.1021/jacs.7b08595","","","0.71073","MoKα","","0.0525","0.0384","","","0.0864","0.0931","","","","","","1.025","","","","has coordinates,has disorder","201464","2020-10-21","18:00:00",""
"4126504","22.8068","0.0009","12.1904","0.0004","21.0805","0.0007","90","","115.75","0.005","90","","5278.9","0.4","183","2","183","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C48 H46 Cl2 Co4 N8 O22 -","- C48 H46 Cl2 Co4 N8 O22 -","- C192 H184 Cl8 Co16 N32 O88 -","4","0.5","","Song, Fangyuan; Moré, René; Schilling, Mauro; Smolentsev, Grigory; Azzaroli, Nicolo; Fox, Thomas; Luber, Sandra; Patzke, Greta R.","{Co4O4} and {CoxNi4-xO4} Cubane Water Oxidation Catalysts as Surface Cut-Outs of Cobalt Oxides.","Journal of the American Chemical Society","2017","","","","","10.1021/jacs.7b07361","","x-ray","0.71073","MoKα","","0.0702","0.0589","","","0.149","0.1585","","","","","","1.048","","","","has coordinates,has disorder","201465","2020-10-21","18:00:00",""
"4126505","8.5558","0.0004","22.537","0.0009","7.9861","0.0003","90","","90","","90","","1539.9","0.11","100","2","100","2","","","","","","","","4","P n a 21","P 2c -2n","33","","","","- C19 H21 N O2 -","- C19 H21 N O2 -","- C76 H84 N4 O8 -","4","1","","Farndon, Joshua J.; Ma, Xiaofeng; Bower, John F.","Transition Metal Free C-N Bond Forming Dearomatizations and Aryl C-H Aminations by in Situ Release of a Hydroxylamine-Based Aminating Agent.","Journal of the American Chemical Society","2017","","","","","10.1021/jacs.7b07830","","","0.71073","MoKα","","0.0486","0.0435","","","0.1044","0.1077","","","","","","1.033","","","","has coordinates","201466","2020-10-21","18:00:00",""
"4126506","6.5617","0.0001","7.0318","0.0001","24.2004","0.0005","90","","90","","90","","1116.62","0.03","100","","100.03","","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C14 H15 N O -","- C14 H15 N O -","- C56 H60 N4 O4 -","4","1","","Farndon, Joshua J.; Ma, Xiaofeng; Bower, John F.","Transition Metal Free C-N Bond Forming Dearomatizations and Aryl C-H Aminations by in Situ Release of a Hydroxylamine-Based Aminating Agent.","Journal of the American Chemical Society","2017","","","","","10.1021/jacs.7b07830","","","0.71073","MoKα","","0.036","0.0348","","","0.0915","0.0925","","","","","","1.08","","","","has coordinates","201467","2020-10-21","18:00:00",""
"4126507","8.8736","0.0004","11.8772","0.0006","9.0661","0.0005","90","","91.943","0.003","90","","954.96","0.08","100","","99.98","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C11 H15 N O -","- C11 H15 N O -","- C44 H60 N4 O4 -","4","1","","Farndon, Joshua J.; Ma, Xiaofeng; Bower, John F.","Transition Metal Free C-N Bond Forming Dearomatizations and Aryl C-H Aminations by in Situ Release of a Hydroxylamine-Based Aminating Agent.","Journal of the American Chemical Society","2017","","","","","10.1021/jacs.7b07830","","","0.71073","MoKα","","0.0497","0.0407","","","0.1119","0.1181","","","","","","1.068","","","","has coordinates","201468","2020-10-21","18:00:00",""
"4126508","6.4616","0.0001","10.9738","0.0002","20.6916","0.0005","90","","98.331","0.001","90","","1451.72","0.05","100","2","100","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C18 H19 N O2 -","- C18 H19 N O2 -","- C72 H76 N4 O8 -","4","1","","Farndon, Joshua J.; Ma, Xiaofeng; Bower, John F.","Transition Metal Free C-N Bond Forming Dearomatizations and Aryl C-H Aminations by in Situ Release of a Hydroxylamine-Based Aminating Agent.","Journal of the American Chemical Society","2017","","","","","10.1021/jacs.7b07830","","","0.71073","MoKα","","0.062","0.0439","","","0.1014","0.1104","","","","","","1.026","","","","has coordinates","201469","2020-10-21","18:00:00",""
"4126509","22.6991","0.0012","13.8494","0.0007","25.4751","0.0012","90","","103.819","0.002","90","","7776.8","0.7","123","2","123","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","PPNLGaNiH","","","- C75 H90 Ga N5 Ni P5 -","- C75 H90 Ga N5 Ni P5 -","- C300 H360 Ga4 N20 Ni4 P20 -","4","1","","Cammarota, Ryan C.; Vollmer, Matthew V.; Xie, Jing; Ye, Jingyun; Linehan, John C.; Burgess, Samantha A.; Appel, Aaron M.; Gagliardi, Laura; Lu, Connie C.","A bimetallic nickel-gallium complex catalyzes CO2 hydrogenation via the intermediacy of an anionic d(10) nickel hydride.","Journal of the American Chemical Society","2017","","","","","10.1021/jacs.7b07911","","","0.71073","MoKα","","0.0874","0.0601","","","0.1516","0.1638","","","","","","1.127","","","","has coordinates,has disorder","201470","2020-10-21","18:00:00",""
"4126510","11.2791","0.0006","15.7374","0.001","20.7033","0.0013","100.669","0.002","105.203","0.002","92.85","0.002","3466.2","0.4","123","2","123","2","","","","","","","","7","P -1","-P 1","2","[LGaNi(CO2H)][PPN]","","","- C76 H91 Ga N5 Ni O2 P5 -","- C76 H91 Ga N5 Ni O2 P5 -","- C152 H182 Ga2 N10 Ni2 O4 P10 -","2","1","","Cammarota, Ryan C.; Vollmer, Matthew V.; Xie, Jing; Ye, Jingyun; Linehan, John C.; Burgess, Samantha A.; Appel, Aaron M.; Gagliardi, Laura; Lu, Connie C.","A bimetallic nickel-gallium complex catalyzes CO2 hydrogenation via the intermediacy of an anionic d(10) nickel hydride.","Journal of the American Chemical Society","2017","","","","","10.1021/jacs.7b07911","","","0.71073","MoKα","","0.0859","0.0576","","","0.134","0.154","","","","","","1.027","","","","has coordinates,has disorder","201471","2020-10-21","18:00:00",""
"4126511","9.467","0.002","6.3083","0.0012","14.775","0.003","90","","115.242","0.01","90","","798.1","0.3","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- Bi Cu2 O10 S Se -","- Bi Cu2 O10 S Se -","- Bi4 Cu8 O40 S4 Se4 -","4","1","","Tang, Yingying; Peng, Cheng; Guo, Wenbin; Wang, Jun-Feng; Su, Gang; He, Zhangzhen","The Octa-Kagomé Lattice Compounds Showing Quantum Critical Behaviors: Spin Gap Ground State versus Antiferromagnetic Ordering.","Journal of the American Chemical Society","2017","","","","","10.1021/jacs.7b09246","","","0.71073","MoKα","","0.0381","0.0351","","","0.0802","0.081","","","","","","1.045","","","","has coordinates","201526","2020-10-21","18:00:00",""
"4126512","9.591","0.005","6.323","0.003","15.092","0.006","90","","115.38","0.02","90","","826.9","0.7","293","2","293","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- Bi Cu2 H3 O10 S Te -","- Bi Cu2 H3 O10 S Te -","- Bi4 Cu8 H12 O40 S4 Te4 -","4","1","","Tang, Yingying; Peng, Cheng; Guo, Wenbin; Wang, Jun-Feng; Su, Gang; He, Zhangzhen","The Octa-Kagomé Lattice Compounds Showing Quantum Critical Behaviors: Spin Gap Ground State versus Antiferromagnetic Ordering.","Journal of the American Chemical Society","2017","","","","","10.1021/jacs.7b09246","","","0.71073","MoKα","","0.0301","0.0253","","","0.0527","0.0549","","","","","","1.067","","","","has coordinates","201527","2020-10-21","18:00:00",""
"4126513","10.2329","0.0004","12.5402","0.0005","17.1485","0.0007","87.71","0.002","74.122","0.002","76.856","0.002","2060.55","0.15","100","2","100.01","","","","","","","","","4","P -1","-P 1","2","","","","- C22 H22 Cl2 O6 -","- C22 H22 Cl2 O6 -","- C88 H88 Cl8 O24 -","4","2","","Reichl, Kyle D.; Smith, Michael J.; Song, Min K.; Johnson, Richard P.; Porco, Jr, John A","Biomimetic Total Synthesis of (±)-Griffipavixanthone via a Cationic Cycloaddition-Cyclization Cascade.","Journal of the American Chemical Society","2017","","","","","10.1021/jacs.7b09265","","","1.54178","CuKα","","0.0471","0.043","","","0.1187","0.1221","","","","","","1.064","","","","has coordinates,has disorder","201560","2020-10-21","18:00:00",""
"4126514","12.2832","0.0002","15.2387","0.0003","21.3416","0.00018","95.1708","0.0011","91.8275","0.0011","109.565","0.0017","3740.54","0.11","250.01","0.1","250.01","0.1","","","","","","","","6","P -1","-P 1","2","","","","- C72.64 H97.15 Cl Ga2 N4 P7 -","- C72.642 H97.148 Cl Ga2 N4 P7 -","- C145.284 H194.296 Cl2 Ga4 N8 P14 -","2","1","","Hennersdorf, Felix; Frötschel, Julia; Weigand, Jan J.","Selective Derivatization of a Hexaphosphane from Functionalization of White Phosphorus.","Journal of the American Chemical Society","2017","","","","","10.1021/jacs.7b07704","","x-ray","1.54184","CuKα","","0.0366","0.0332","","","0.0877","0.0914","","","","","","1.041","","","","has coordinates,has disorder","201605","2020-10-21","18:00:00",""
"4126515","12.266","0.00012","15.10853","0.00011","21.17044","0.00011","95.2742","0.0005","91.6816","0.0006","109.25","0.0008","3680.86","0.05","150.02","0.1","150.02","0.1","","","","","","","","6","P -1","-P 1","2","","","","- C72.64 H97.18 Cl Ga2 N4 P7 -","- C72.637 H97.178 Cl Ga2 N4 P7 -","- C145.274 H194.356 Cl2 Ga4 N8 P14 -","2","1","","Hennersdorf, Felix; Frötschel, Julia; Weigand, Jan J.","Selective Derivatization of a Hexaphosphane from Functionalization of White Phosphorus.","Journal of the American Chemical Society","2017","","","","","10.1021/jacs.7b07704","","x-ray","1.54184","CuKα","","0.0294","0.028","","","0.0714","0.0726","","","","","","1.017","","","","has coordinates,has disorder","201606","2020-10-21","18:00:00",""
"4126516","13.2249","0.0002","15.7757","0.0002","18.2072","0.0003","89.6385","0.0011","68.9491","0.0014","88.0122","0.0012","3542.88","0.1","100","0.1","100","0.1","","","","","","","","6","P -1","-P 1","2","","","","- C72 H100 Ga2 N4 O P6 -","- C72 H100 Ga2 N4 O P6 -","- C144 H200 Ga4 N8 O2 P12 -","2","1","","Hennersdorf, Felix; Frötschel, Julia; Weigand, Jan J.","Selective Derivatization of a Hexaphosphane from Functionalization of White Phosphorus.","Journal of the American Chemical Society","2017","","","","","10.1021/jacs.7b07704","","x-ray","1.54184","CuKα","","0.0591","0.0589","","","0.1375","0.1375","","","","","","1.33","","","","has coordinates,has disorder","201607","2020-10-21","18:00:00",""
"4126517","19.95431","0.00013","19.95431","0.00013","18.5098","0.0002","90","","90","","90","","7370.13","0.1","100","0.1","100","0.1","","","","","","","","5","P 41 21 2","P 4abw 2nw","92","","","","- C36 H49 Ga N2 P4 -","- C36 H49 Ga N2 P4 -","- C288 H392 Ga8 N16 P32 -","8","1","","Hennersdorf, Felix; Frötschel, Julia; Weigand, Jan J.","Selective Derivatization of a Hexaphosphane from Functionalization of White Phosphorus.","Journal of the American Chemical Society","2017","","","","","10.1021/jacs.7b07704","","x-ray","1.54184","CuKα","","0.0314","0.0301","","","0.0789","0.08","","","","","","1.025","","","","has coordinates,has disorder","201608","2020-10-21","18:00:00",""
"4126518","8.5229","0.0019","8.5229","0.0019","7.178","0.002","90","","90","","120","","451.55","0.19","100","0.1","100","0.1","","","","","","","","4","P -6 2 c","P -6c -2c","190","","","","- C Na O P -","- C Na O P -","- C6 Na6 O6 P6 -","6","0.5","","Hennersdorf, Felix; Frötschel, Julia; Weigand, Jan J.","Selective Derivatization of a Hexaphosphane from Functionalization of White Phosphorus.","Journal of the American Chemical Society","2017","","","","","10.1021/jacs.7b07704","","x-ray","0.71073","MoKα","","0.0869","0.0755","","","0.2004","0.2103","","","","","","1.185","","","","has coordinates","201609","2020-10-21","18:00:00",""
"4126519","39.9525","0.0009","14.816","0.0002","21.8877","0.0003","90","","100.248","0.0016","90","","12749.4","0.4","100","0.1","100","0.1","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C60 H87 Ga2 N4 O0.5 P7 -","- C60 H87 Ga2 N4 O0.5 P7 -","- C480 H696 Ga16 N32 O4 P56 -","8","1","","Hennersdorf, Felix; Frötschel, Julia; Weigand, Jan J.","Selective Derivatization of a Hexaphosphane from Functionalization of White Phosphorus.","Journal of the American Chemical Society","2017","","","","","10.1021/jacs.7b07704","","x-ray","1.54184","CuKα","","0.0476","0.0408","","","0.1053","0.1113","","","","","","1.022","","","","has coordinates,has disorder","201610","2020-10-21","18:00:00",""
"4126520","12.2525","0.00016","15.0461","0.0002","21.1012","0.0002","95.3265","0.001","91.7036","0.001","109.04","0.0013","3653.9","0.08","100","0.1","100","0.1","","","","","","","","6","P -1","-P 1","2","","","","- C72.65 H97.12 Cl Ga2 N4 P7 -","- C72.647 H97.118 Cl Ga2 N4 P7 -","- C145.294 H194.236 Cl2 Ga4 N8 P14 -","2","1","","Hennersdorf, Felix; Frötschel, Julia; Weigand, Jan J.","Selective Derivatization of a Hexaphosphane from Functionalization of White Phosphorus.","Journal of the American Chemical Society","2017","","","","","10.1021/jacs.7b07704","","x-ray","1.54184","CuKα","","0.0279","0.0267","","","0.0678","0.0687","","","","","","1.022","","","","has coordinates,has disorder","201611","2020-10-21","18:00:00",""
"4126521","10.4528","0.0001","21.4367","0.0003","16.4206","0.0003","90","","106.539","0.002","90","","3527.19","0.1","100","0.1","100","0.1","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C60 H86 Cl4 Ga2 N4 P12 -","- C60 H86 Cl4 Ga2 N4 P12 -","- C120 H172 Cl8 Ga4 N8 P24 -","2","0.5","","Hennersdorf, Felix; Frötschel, Julia; Weigand, Jan J.","Selective Derivatization of a Hexaphosphane from Functionalization of White Phosphorus.","Journal of the American Chemical Society","2017","","","","","10.1021/jacs.7b07704","","x-ray","1.54184","CuKα","","0.0407","0.0317","","","0.0826","0.0847","","","","","","1.026","","","","has coordinates","201612","2020-10-21","18:00:00",""
"4126522","13.0457","0.0003","14.2179","0.0005","23.0315","0.0006","76.66","0.003","88.072","0.002","69.876","0.003","3898","0.2","100","0.1","100","0.1","","","","","","","","7","P -1","-P 1","2","","","","- C74 H114 Ga2 N4 Na O4 P7 -","- C74 H114 Ga2 N4 Na O4 P7 -","- C148 H228 Ga4 N8 Na2 O8 P14 -","2","1","","Hennersdorf, Felix; Frötschel, Julia; Weigand, Jan J.","Selective Derivatization of a Hexaphosphane from Functionalization of White Phosphorus.","Journal of the American Chemical Society","2017","","","","","10.1021/jacs.7b07704","","x-ray","1.54184","CuKα","","0.0727","0.0669","","","0.1836","0.1901","","","","","","1.092","","","","has coordinates,has disorder","201613","2020-10-21","18:00:00",""
"4126523","13.64428","0.00009","14.83342","0.0001","31.5549","0.0002","90","","90","","90","","6386.44","0.07","100.01","0.1","100.01","0.1","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C65 H90 Ga2 N4 P4.23 -","- C65 H90 Ga2 N4 P4.234 -","- C260 H360 Ga8 N16 P16.936 -","4","1","","Hennersdorf, Felix; Frötschel, Julia; Weigand, Jan J.","Selective Derivatization of a Hexaphosphane from Functionalization of White Phosphorus.","Journal of the American Chemical Society","2017","","","","","10.1021/jacs.7b07704","","x-ray","1.54184","CuKα","","0.032","0.0319","","","0.0779","0.078","","","","","","1.091","","","","has coordinates,has disorder","201614","2020-10-21","18:00:00",""
"4126524","39.4235","0.0014","39.4235","0.0014","31.194","0.0006","90","","90","","120","","41987","2","100.01","0.1","100.01","0.1","","","","","","","","5","R -3","-R 3","148","","","","- C58 H82 Ga2 N4 P8 -","- C58 H82 Ga2 N4 P8 -","- C1044 H1476 Ga36 N72 P144 -","18","","","Hennersdorf, Felix; Frötschel, Julia; Weigand, Jan J.","Selective Derivatization of a Hexaphosphane from Functionalization of White Phosphorus.","Journal of the American Chemical Society","2017","","","","","10.1021/jacs.7b07704","","x-ray","1.54184","CuKα","","0.0973","0.0564","","","0.1418","0.1614","","","","","","0.996","","","","has coordinates,has disorder","201615","2020-10-21","18:00:00",""
"4126525","19.29945","0.00015","19.43507","0.00012","21.56961","0.00015","90","","97.9681","0.0007","90","","8012.35","0.1","100","0.1","100","0.1","","","","","","","","5","I 1 2/a 1","-I 2ya","15","","","","- C65 H90 Ga2 N4 P20 -","- C65 H90 Ga2 N4 P20 -","- C260 H360 Ga8 N16 P80 -","4","0.5","","Hennersdorf, Felix; Frötschel, Julia; Weigand, Jan J.","Selective Derivatization of a Hexaphosphane from Functionalization of White Phosphorus.","Journal of the American Chemical Society","2017","","","","","10.1021/jacs.7b07704","","x-ray","1.54184","CuKα","","0.0407","0.0389","","","0.1003","0.1018","","","","","","1.031","","","","has coordinates,has disorder","201616","2020-10-21","18:00:00",""
"4126526","18.8363","0.0004","39.5996","0.0009","18.2132","0.0004","90","","93.7064","0.0018","90","","13557","0.5","100.01","0.1","100.01","0.1","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C61 H88 Cl6 Ga2 N4 P4 -","- C61 H88 Cl6 Ga2 N4 P4 -","- C488 H704 Cl48 Ga16 N32 P32 -","8","2","","Hennersdorf, Felix; Frötschel, Julia; Weigand, Jan J.","Selective Derivatization of a Hexaphosphane from Functionalization of White Phosphorus.","Journal of the American Chemical Society","2017","","","","","10.1021/jacs.7b07704","","x-ray","1.54184","CuKα","","0.0983","0.0735","","","0.2035","0.2226","","","","","","1.092","","","","has coordinates","201617","2020-10-21","18:00:00",""
"4126527","13.45492","0.00019","15.7011","0.0002","18.1283","0.0003","89.443","0.0013","68.6438","0.0014","88.7141","0.0012","3565.86","0.1","100.01","0.1","100.01","0.1","","","","","","","","6","P -1","-P 1","2","","","","- C72 H99 Cl Ga2 N4 P6 -","- C72 H99 Cl Ga2 N4 P6 -","- C144 H198 Cl2 Ga4 N8 P12 -","2","1","","Hennersdorf, Felix; Frötschel, Julia; Weigand, Jan J.","Selective Derivatization of a Hexaphosphane from Functionalization of White Phosphorus.","Journal of the American Chemical Society","2017","","","","","10.1021/jacs.7b07704","","x-ray","1.54184","CuKα","","0.0404","0.04","","","0.0891","0.0893","","","","","","1.141","","","","has coordinates,has disorder","201618","2020-10-21","18:00:00",""
"4126528","12.29883","0.00016","15.2753","0.0002","21.4327","0.0002","95.1054","0.001","91.9061","0.001","109.661","0.0013","3768.15","0.08","300.01","0.1","300.01","0.1","","","","","","","","6","P -1","-P 1","2","","","","- C72.61 H97.32 Cl Ga2 N4 P7 -","- C72.614 H97.316 Cl Ga2 N4 P7 -","- C145.228 H194.632 Cl2 Ga4 N8 P14 -","2","1","","Hennersdorf, Felix; Frötschel, Julia; Weigand, Jan J.","Selective Derivatization of a Hexaphosphane from Functionalization of White Phosphorus.","Journal of the American Chemical Society","2017","","","","","10.1021/jacs.7b07704","","x-ray","1.54184","CuKα","","0.0408","0.0361","","","0.0982","0.1035","","","","","","1.042","","","","has coordinates,has disorder","201620","2020-10-21","18:00:00",""
"4126529","14.19345","0.00014","18.9626","0.0002","24.9591","0.0003","81.3033","0.0009","74.9836","0.0009","79.5858","0.0009","6342.7","0.12","100","0.1","100","0.1","","","","","","","","5","P -1","-P 1","2","","","","- C61.5 H86 Ga2 N4 P6 -","- C61.5 H86 Ga2 N4 P6 -","- C246 H344 Ga8 N16 P24 -","4","2","","Hennersdorf, Felix; Frötschel, Julia; Weigand, Jan J.","Selective Derivatization of a Hexaphosphane from Functionalization of White Phosphorus.","Journal of the American Chemical Society","2017","","","","","10.1021/jacs.7b07704","","x-ray","1.54184","CuKα","","0.0256","0.0246","","","0.0637","0.0644","","","","","","1.033","","","","has coordinates,has disorder","201621","2020-10-21","18:00:00",""
"4126530","18.34458","0.00019","18.10118","0.00018","43.7739","0.0004","90","","92.7471","0.0008","90","","14518.8","0.2","100.01","0.1","100.01","0.1","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C58 H82 Ga2 N4 P4 -","- C58 H82 Ga2 N4 P4 -","- C464 H656 Ga16 N32 P32 -","8","1","","Hennersdorf, Felix; Frötschel, Julia; Weigand, Jan J.","Selective Derivatization of a Hexaphosphane from Functionalization of White Phosphorus.","Journal of the American Chemical Society","2017","","","","","10.1021/jacs.7b07704","","x-ray","1.54184","CuKα","","0.0487","0.0463","","","0.1153","0.1171","","","","","","1.076","","","","has coordinates,has disorder","201622","2020-10-21","18:00:00",""
"4126531","13.4877","0.0008","20.2357","0.0009","25.9673","0.0019","90","","90","","90","","7087.3","0.7","100.01","0.1","100.01","0.1","","","","","","","","6","P n m a","-P 2ac 2n","62","","","","- C59 H84 Cl2 Ga2 N4 P14 -","- C59 H84 Cl2 Ga2 N4 P14 -","- C236 H336 Cl8 Ga8 N16 P56 -","4","0.5","","Hennersdorf, Felix; Frötschel, Julia; Weigand, Jan J.","Selective Derivatization of a Hexaphosphane from Functionalization of White Phosphorus.","Journal of the American Chemical Society","2017","","","","","10.1021/jacs.7b07704","","x-ray","1.54184","CuKα","","0.1079","0.0748","","","0.1805","0.2028","","","","","","1.043","","","","has coordinates,has disorder","201623","2020-10-21","18:00:00",""
"4126532","49.1449","0.0006","12.6868","0.0002","24.6372","0.0004","90","","94.906","0.001","90","","15304.8","0.4","100.01","0.1","100.01","0.1","","","","","","","","8","C 1 2/c 1","-C 2yc","15","","","","- C70.5 H94 F6 Ga2 N5 O4 P6 S2 -","- C70.5 H94 F6 Ga2 N5 O4 P6 S2 -","- C564 H752 F48 Ga16 N40 O32 P48 S16 -","8","1","","Hennersdorf, Felix; Frötschel, Julia; Weigand, Jan J.","Selective Derivatization of a Hexaphosphane from Functionalization of White Phosphorus.","Journal of the American Chemical Society","2017","","","","","10.1021/jacs.7b07704","","x-ray","1.54184","CuKα","","0.0631","0.0601","","","0.1596","0.1613","","","","","","1.138","","","","has coordinates,has disorder","201624","2020-10-21","18:00:00",""
"4126533","12.27371","0.0002","15.1714","0.0003","21.2649","0.0003","95.2004","0.0014","91.6689","0.0012","109.493","0.0016","3709.95","0.12","200.02","0.1","200.02","0.1","","","","","","","","6","P -1","-P 1","2","","","","- C72.64 H97.2 Cl Ga2 N4 P7 -","- C72.633 H97.202 Cl Ga2 N4 P7 -","- C145.266 H194.404 Cl2 Ga4 N8 P14 -","2","1","","Hennersdorf, Felix; Frötschel, Julia; Weigand, Jan J.","Selective Derivatization of a Hexaphosphane from Functionalization of White Phosphorus.","Journal of the American Chemical Society","2017","","","","","10.1021/jacs.7b07704","","x-ray","1.54184","CuKα","","0.0313","0.0293","","","0.076","0.0778","","","","","","1.013","","","","has coordinates,has disorder","201625","2020-10-21","18:00:00",""
"4126534","10.7496","0.00008","10.45685","0.00007","14.96661","0.00011","90","","96.4915","0.0007","90","","1671.56","0.02","100","0.1","100","0.1","","","","","","","","5","P 1 c 1","P -2yc","7","","","","- C13 H24 Na O7 P -","- C13 H24 Na O7 P -","- C52 H96 Na4 O28 P4 -","4","2","","Hennersdorf, Felix; Frötschel, Julia; Weigand, Jan J.","Selective Derivatization of a Hexaphosphane from Functionalization of White Phosphorus.","Journal of the American Chemical Society","2017","","","","","10.1021/jacs.7b07704","","x-ray","1.54184","CuKα","","0.0309","0.0304","","","0.0822","0.0827","","","","","","1.05","","","","has coordinates,has disorder","201626","2020-10-21","18:00:00",""
"4126535","16.4384","0.0002","17.9501","0.0004","22.3596","0.0004","70.7664","0.0016","81.2661","0.0012","75.7253","0.0014","6019.1","0.2","100","0.3","100","0.3","","","","","","","","5","P -1","-P 1","2","","","","- C193 H282 Ga6 N12 P56 -","- C193 H282 Ga6 N12 P56 -","- C193 H282 Ga6 N12 P56 -","1","0.5","","Hennersdorf, Felix; Frötschel, Julia; Weigand, Jan J.","Selective Derivatization of a Hexaphosphane from Functionalization of White Phosphorus.","Journal of the American Chemical Society","2017","","","","","10.1021/jacs.7b07704","","x-ray","1.54184","CuKα","","0.0553","0.0468","","","0.1208","0.1279","","","","","","1.034","","","","has coordinates,has disorder","201627","2020-10-21","18:00:00",""
"4126536","13.1634","0.0002","15.5274","0.0002","18.2175","0.0003","89.8954","0.0012","69.1188","0.0014","88.7239","0.0012","3478.04","0.1","100.02","0.11","100.02","0.11","","","","","","","","6","P -1","-P 1","2","","","","- C70 H96 Ga2 N4 O P6 -","- C70 H96 Ga2 N4 O P6 -","- C140 H192 Ga4 N8 O2 P12 -","2","1","","Hennersdorf, Felix; Frötschel, Julia; Weigand, Jan J.","Selective Derivatization of a Hexaphosphane from Functionalization of White Phosphorus.","Journal of the American Chemical Society","2017","","","","","10.1021/jacs.7b07704","","x-ray","1.54184","CuKα","","0.0402","0.0364","","","0.0868","0.0892","","","","","","1.043","","","","has coordinates,has disorder","201628","2020-10-21","18:00:00",""
"4126537","13.31652","0.00016","15.5916","0.0002","18.1014","0.0003","89.956","0.0012","68.6852","0.0013","89.3864","0.0011","3501.02","0.09","100","0.2","100","0.2","","","","","","","","7","P -1","-P 1","2","","","","- C70 H93 Cl F2 Ga2 N4 P6 -","- C70 H93 Cl F2 Ga2 N4 P6 -","- C140 H186 Cl2 F4 Ga4 N8 P12 -","2","1","","Hennersdorf, Felix; Frötschel, Julia; Weigand, Jan J.","Selective Derivatization of a Hexaphosphane from Functionalization of White Phosphorus.","Journal of the American Chemical Society","2017","","","","","10.1021/jacs.7b07704","","x-ray","1.54184","CuKα","","0.0475","0.0474","","","0.1088","0.1088","","","","","","1.29","","","","has coordinates,has disorder","201629","2020-10-21","18:00:00",""
"4126538","10.2156","0.0002","15.5486","0.0003","15.9803","0.0003","62.9694","0.0019","89.6719","0.0017","80.6194","0.0016","2224.02","0.08","99.99","0.1","99.99","0.1","","","","","","","","5","P -1","-P 1","2","","","","- C88 H112 Ga2 N4 P12 -","- C88 H112 Ga2 N4 P12 -","- C88 H112 Ga2 N4 P12 -","1","0.5","","Hennersdorf, Felix; Frötschel, Julia; Weigand, Jan J.","Selective Derivatization of a Hexaphosphane from Functionalization of White Phosphorus.","Journal of the American Chemical Society","2017","","","","","10.1021/jacs.7b07704","","x-ray","1.54184","CuKα","","0.0474","0.0454","","","0.1261","0.1279","","","","","","1.118","","","","has coordinates","201630","2020-10-21","18:00:00",""
"4126539","21.95819","0.00019","17.83215","0.00013","17.44947","0.00015","90","","109.979","0.001","90","","6421.35","0.1","100","0.16","100","0.16","","","","","","","","8","P 1 21/c 1","-P 2ybc","14","","","","- C60 H85 F3 Ga2 N4 O3 P6 S -","- C60 H85 F3 Ga2 N4 O3 P6 S -","- C240 H340 F12 Ga8 N16 O12 P24 S4 -","4","1","","Hennersdorf, Felix; Frötschel, Julia; Weigand, Jan J.","Selective Derivatization of a Hexaphosphane from Functionalization of White Phosphorus.","Journal of the American Chemical Society","2017","","","","","10.1021/jacs.7b07704","","x-ray","1.54184","CuKα","","0.0334","0.0325","","","0.0882","0.0893","","","","","","1.049","","","","has coordinates","201631","2020-10-21","18:00:00",""
"4126540","42.77468","0.00017","16.26254","0.00007","22.00113","0.00009","90","","91.7696","0.0004","90","","15297.2","0.11","100","0.2","100","0.2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C73.5 H100 Cl3 Ga2 N4 P7 -","- C73.5 H100 Cl3 Ga2 N4 P7 -","- C588 H800 Cl24 Ga16 N32 P56 -","8","1","","Hennersdorf, Felix; Frötschel, Julia; Weigand, Jan J.","Selective Derivatization of a Hexaphosphane from Functionalization of White Phosphorus.","Journal of the American Chemical Society","2017","","","","","10.1021/jacs.7b07704","","x-ray","1.54184","CuKα","","0.0352","0.0341","","","0.0926","0.0935","","","","","","1.052","","","","has coordinates,has disorder","201632","2020-10-21","18:00:00",""
"4126541","10.66659","0.00016","12.60752","0.00017","24.3781","0.0003","91.8537","0.0011","100.631","0.0012","108.423","0.0013","3042.46","0.08","100.01","0.1","100.01","0.1","","","","","","","","6","P -1","-P 1","2","","","","- C59 H85 Cl Ga2 N4 P6 -","- C59 H85 Cl Ga2 N4 P6 -","- C118 H170 Cl2 Ga4 N8 P12 -","2","1","","Hennersdorf, Felix; Frötschel, Julia; Weigand, Jan J.","Selective Derivatization of a Hexaphosphane from Functionalization of White Phosphorus.","Journal of the American Chemical Society","2017","","","","","10.1021/jacs.7b07704","","x-ray","1.54184","CuKα","","0.0368","0.0326","","","0.08","0.0833","","","","","","1.028","","","","has coordinates","201633","2020-10-21","18:00:00",""
"4126542","18.63849","0.00019","21.16817","0.00016","20.1663","0.0002","90","","102.381","0.001","90","","7771.42","0.13","100.01","0.1","100.01","0.1","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C66.87 H92.14 Ga2 N4 P16.93 -","- C66.869 H92.136 Ga2 N4 P16.932 -","- C267.476 H368.544 Ga8 N16 P67.728 -","4","1","","Hennersdorf, Felix; Frötschel, Julia; Weigand, Jan J.","Selective Derivatization of a Hexaphosphane from Functionalization of White Phosphorus.","Journal of the American Chemical Society","2017","","","","","10.1021/jacs.7b07704","","x-ray","1.54184","CuKα","","0.0435","0.0357","","","0.0897","0.0948","","","","","","1.015","","","","has coordinates,has disorder","201634","2020-10-21","18:00:00",""
"4126543","10.5072","0.0002","14.02953","0.00019","14.6568","0.0003","97.8684","0.0013","96.0384","0.0015","91.5449","0.0013","2126.48","0.07","100","0.1","100","0.1","","","","","","","","5","P -1","-P 1","2","","","","- C80 H102 Ga2 N4 P12 -","- C80 H102 Ga2 N4 P12 -","- C80 H102 Ga2 N4 P12 -","1","0.5","","Hennersdorf, Felix; Frötschel, Julia; Weigand, Jan J.","Selective Derivatization of a Hexaphosphane from Functionalization of White Phosphorus.","Journal of the American Chemical Society","2017","","","","","10.1021/jacs.7b07704","","x-ray","1.54184","CuKα","","0.0565","0.0534","","","0.1577","0.1613","","","","","","1.087","","","","has coordinates,has disorder","201635","2020-10-21","18:00:00",""
"4126544","13.42003","0.00012","19.14839","0.00014","31.4694","0.0002","90","","93.2849","0.0007","90","","8073.47","0.11","100.01","0.1","100.01","0.1","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C73 H98 As Cl7 Ga2 N4 P6 -","- C72.999 H97.998 As Cl6.998 Ga2 N4 P6 -","- C291.996 H391.992 As4 Cl27.992 Ga8 N16 P24 -","4","1","","Hennersdorf, Felix; Frötschel, Julia; Weigand, Jan J.","Selective Derivatization of a Hexaphosphane from Functionalization of White Phosphorus.","Journal of the American Chemical Society","2017","","","","","10.1021/jacs.7b07704","","x-ray","1.54184","CuKα","","0.056","0.0546","","","0.1463","0.1474","","","","","","1.085","","","","has coordinates,has disorder","201636","2020-10-21","18:00:00",""
"4126545","7.0832","0.0002","7.1346","0.0002","16.2121","0.0005","95.809","0.001","90.058","0.001","119.765","0.001","706.3","0.04","300","2","300","","","","","","","","","5","P -1","-P 1","2","","","","- Cs3 F2 O10 Si4 Tb -","- Cs3 F2 O10 Si4 Tb -","- Cs6 F4 O20 Si8 Tb2 -","2","1","","Morrison, Gregory; Latshaw, Allison M.; Spagnuolo, Nicholas R.; Zur Loye, Hans-Conrad","Observation of Intense X-ray Scintillation in a Family of Mixed Anion Silicates, Cs3RESi4O10F2 (RE = Y, Eu-Lu), Obtained via an Enhanced Flux Crystal Growth Technique.","Journal of the American Chemical Society","2017","","","","","10.1021/jacs.7b08559","","","0.71073","MoKα","","0.0196","0.0194","","","0.0465","0.0466","","","","","","1.135","","","","has coordinates","201637","2020-10-21","18:00:00",""
"4126546","7.057","0.0002","7.1102","0.0002","16.0629","0.0004","95.904","0.001","90.059","0.001","119.753","0.001","694.75","0.03","302","2","301.99","","","","","","","","","5","P -1","-P 1","2","","","","- Cs3 F2 O10 Si4 Yb -","- Cs3 F2 O10 Si4 Yb -","- Cs6 F4 O20 Si8 Yb2 -","2","1","","Morrison, Gregory; Latshaw, Allison M.; Spagnuolo, Nicholas R.; Zur Loye, Hans-Conrad","Observation of Intense X-ray Scintillation in a Family of Mixed Anion Silicates, Cs3RESi4O10F2 (RE = Y, Eu-Lu), Obtained via an Enhanced Flux Crystal Growth Technique.","Journal of the American Chemical Society","2017","","","","","10.1021/jacs.7b08559","","","0.71073","MoKα","","0.023","0.0213","","","0.0449","0.0458","","","","","","1.1","","","","has coordinates","201638","2020-10-21","18:00:00",""
"4126547","7.078","0.0006","7.1138","0.0006","16.104","0.0012","95.807","0.003","90.018","0.003","119.799","0.003","698.83","0.1","302","2","302.01","","","","","","","","","5","P -1","-P 1","2","","","","- Cs3 F2 O10 Si4 Tm -","- Cs3 F2 O10 Si4 Tm -","- Cs6 F4 O20 Si8 Tm2 -","2","1","","Morrison, Gregory; Latshaw, Allison M.; Spagnuolo, Nicholas R.; Zur Loye, Hans-Conrad","Observation of Intense X-ray Scintillation in a Family of Mixed Anion Silicates, Cs3RESi4O10F2 (RE = Y, Eu-Lu), Obtained via an Enhanced Flux Crystal Growth Technique.","Journal of the American Chemical Society","2017","","","","","10.1021/jacs.7b08559","","","0.71073","MoKα","","0.0511","0.046","","","0.1125","0.1156","","","","","","1.108","","","","has coordinates","201639","2020-10-21","18:00:00",""
"4126548","7.0761","0.0002","7.1256","0.0002","16.1502","0.0005","95.813","0.001","90.041","0.001","119.76","0.001","702.06","0.04","302","2","302.37","","","","","","","","","5","P -1","-P 1","2","","","","- Cs3 F2 Ho O10 Si4 -","- Cs3 F2 Ho O10 Si4 -","- Cs6 F4 Ho2 O20 Si8 -","2","1","","Morrison, Gregory; Latshaw, Allison M.; Spagnuolo, Nicholas R.; Zur Loye, Hans-Conrad","Observation of Intense X-ray Scintillation in a Family of Mixed Anion Silicates, Cs3RESi4O10F2 (RE = Y, Eu-Lu), Obtained via an Enhanced Flux Crystal Growth Technique.","Journal of the American Chemical Society","2017","","","","","10.1021/jacs.7b08559","","","0.71073","MoKα","","0.031","0.0303","","","0.0748","0.0752","","","","","","1.081","","","","has coordinates","201640","2020-10-21","18:00:00",""
"4126549","7.067","0.0002","7.1177","0.0002","16.1206","0.0005","95.846","0.001","90.079","0.001","119.745","0.001","699.11","0.04","302","2","302","","","","","","","","","5","P -1","-P 1","2","","","","- Cs3 Er F2 O10 Si4 -","- Cs3 Er F2 O10 Si4 -","- Cs6 Er2 F4 O20 Si8 -","2","1","","Morrison, Gregory; Latshaw, Allison M.; Spagnuolo, Nicholas R.; Zur Loye, Hans-Conrad","Observation of Intense X-ray Scintillation in a Family of Mixed Anion Silicates, Cs3RESi4O10F2 (RE = Y, Eu-Lu), Obtained via an Enhanced Flux Crystal Growth Technique.","Journal of the American Chemical Society","2017","","","","","10.1021/jacs.7b08559","","","0.71073","MoKα","","0.0201","0.0198","","","0.0475","0.0477","","","","","","1.116","","","","has coordinates","201641","2020-10-21","18:00:00",""
"4126550","7.0994","0.0003","7.1499","0.0003","16.2572","0.0007","95.699","0.001","90.149","0.001","119.744","0.001","711.67","0.05","300","2","300.1","","","","","","","","","5","P -1","-P 1","2","","","","- Cs3 F2 Gd O10 Si4 -","- Cs3 F2 Gd O10 Si4 -","- Cs6 F4 Gd2 O20 Si8 -","2","1","","Morrison, Gregory; Latshaw, Allison M.; Spagnuolo, Nicholas R.; Zur Loye, Hans-Conrad","Observation of Intense X-ray Scintillation in a Family of Mixed Anion Silicates, Cs3RESi4O10F2 (RE = Y, Eu-Lu), Obtained via an Enhanced Flux Crystal Growth Technique.","Journal of the American Chemical Society","2017","","","","","10.1021/jacs.7b08559","","","0.71073","MoKα","","0.0366","0.0281","","","0.0491","0.0507","","","","","","1.137","","","","has coordinates","201642","2020-10-21","18:00:00",""
"4126551","7.0856","0.0002","7.136","0.0003","16.1856","0.0005","95.763","0.001","90.1","0.001","119.743","0.001","705.72","0.04","304","2","303.9","","","","","","","","","5","P -1","-P 1","2","","","","- Cs3 Dy F2 O10 Si4 -","- Cs3 Dy F2 O10 Si4 -","- Cs6 Dy2 F4 O20 Si8 -","2","1","","Morrison, Gregory; Latshaw, Allison M.; Spagnuolo, Nicholas R.; Zur Loye, Hans-Conrad","Observation of Intense X-ray Scintillation in a Family of Mixed Anion Silicates, Cs3RESi4O10F2 (RE = Y, Eu-Lu), Obtained via an Enhanced Flux Crystal Growth Technique.","Journal of the American Chemical Society","2017","","","","","10.1021/jacs.7b08559","","","0.71073","MoKα","","0.0281","0.0258","","","0.0648","0.0656","","","","","","1.114","","","","has coordinates","201643","2020-10-21","18:00:00",""
"4126552","7.1027","0.0003","7.1471","0.0003","16.2743","0.0007","95.733","0.002","89.969","0.001","119.789","0.001","712.24","0.05","302","2","302","","","","","","","","","5","P -1","-P 1","2","","","","- Cs3 Eu F2 O10 Si4 -","- Cs3 Eu F2 O10 Si4 -","- Cs6 Eu2 F4 O20 Si8 -","2","1","","Morrison, Gregory; Latshaw, Allison M.; Spagnuolo, Nicholas R.; Zur Loye, Hans-Conrad","Observation of Intense X-ray Scintillation in a Family of Mixed Anion Silicates, Cs3RESi4O10F2 (RE = Y, Eu-Lu), Obtained via an Enhanced Flux Crystal Growth Technique.","Journal of the American Chemical Society","2017","","","","","10.1021/jacs.7b08559","","","0.71073","MoKα","","0.0324","0.0309","","","0.0797","0.0805","","","","","","1.118","","","","has coordinates","201644","2020-10-21","18:00:00",""
"4126553","7.0722","0.0003","7.1249","0.0003","16.1502","0.0007","95.801","0.001","90.115","0.001","119.746","0.001","701.66","0.05","302","2","302","","","","","","","","","5","P -1","-P 1","2","","","","- Cs3 F2 O10 Si4 Y -","- Cs3 F2 O10 Si4 Y -","- Cs6 F4 O20 Si8 Y2 -","2","1","","Morrison, Gregory; Latshaw, Allison M.; Spagnuolo, Nicholas R.; Zur Loye, Hans-Conrad","Observation of Intense X-ray Scintillation in a Family of Mixed Anion Silicates, Cs3RESi4O10F2 (RE = Y, Eu-Lu), Obtained via an Enhanced Flux Crystal Growth Technique.","Journal of the American Chemical Society","2017","","","","","10.1021/jacs.7b08559","","","0.71073","MoKα","","0.0261","0.0258","","","0.0595","0.0596","","","","","","1.141","","","","has coordinates","201645","2020-10-21","18:00:00",""
"4126554","7.0668","0.0006","7.1082","0.0006","16.0471","0.0012","95.912","0.003","90.043","0.003","119.874","0.003","693.99","0.1","302","2","302.01","","","","","","","","","5","P -1","-P 1","2","","","","- Cs3 F2 Lu O10 Si4 -","- Cs3 F2 Lu O10 Si4 -","- Cs6 F4 Lu2 O20 Si8 -","2","1","","Morrison, Gregory; Latshaw, Allison M.; Spagnuolo, Nicholas R.; Zur Loye, Hans-Conrad","Observation of Intense X-ray Scintillation in a Family of Mixed Anion Silicates, Cs3RESi4O10F2 (RE = Y, Eu-Lu), Obtained via an Enhanced Flux Crystal Growth Technique.","Journal of the American Chemical Society","2017","","","","","10.1021/jacs.7b08559","","","0.71073","MoKα","","0.0635","0.0518","","","0.117","0.1239","","","","","","1.141","","","","has coordinates","201646","2020-10-21","18:00:00",""
"4126555","11.44","0.008","14.002","0.009","14.246","0.01","87.644","0.014","83.554","0.012","71.092","0.01","2145","3","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","","","- C43 H43 Co N3 O11 -","- C43 H43 Co N3 O11 -","- C86 H86 Co2 N6 O22 -","2","1","","Planas, Oriol; Roldán-Gómez, Steven; Martin-Diaconescu, Vlad; Parella, Teodor; Luis, Josep M.; Company, Anna; Ribas, Xavi","Carboxylate-Assisted Formation of Aryl-Co(III) Masked-Carbenes in Cobalt-Catalyzed C-H Functionalization with Diazo Esters.","Journal of the American Chemical Society","2017","","","","","10.1021/jacs.7b07880","","","0.71073","MoKα","","0.3036","0.1323","","","0.351","0.4425","","","","","","1.06","","","","has coordinates","201647","2020-10-21","18:00:00",""
"4126556","11.329","0.003","13.762","0.003","14.051","0.003","85.705","0.005","71.336","0.004","88.624","0.004","2069.7","0.8","100","2","100","2","","","","","","","","6","P -1","-P 1","2","","","","- C41 H35 Cl6 Co N3 O8 -","- C40 H34 Cl3 Co N3 O8 -","- C80 H68 Cl6 Co2 N6 O16 -","2","1","","Planas, Oriol; Roldán-Gómez, Steven; Martin-Diaconescu, Vlad; Parella, Teodor; Luis, Josep M.; Company, Anna; Ribas, Xavi","Carboxylate-Assisted Formation of Aryl-Co(III) Masked-Carbenes in Cobalt-Catalyzed C-H Functionalization with Diazo Esters.","Journal of the American Chemical Society","2017","","","","","10.1021/jacs.7b07880","","","0.71073","MoKα","","0.1235","0.064","","","0.134","0.1619","","","","","","1.007","","","","has coordinates","201648","2020-10-21","18:00:00",""
"4126557","8.516","0.0002","20.1012","0.0005","14.0241","0.0004","90","","94.461","0.002","90","","2393.4","0.11","100","2","100","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","DAC-Benzene","","","- C30 H34 N2 O2 -","- C30 H34 N2 O2 -","- C120 H136 N8 O8 -","4","1","","Perera, Tharushi A.; Reinheimer, Eric W.; Hudnall, Todd W.","Photochemically Switching Diamidocarbene Spin States Leads to Reversible Büchner Ring Expansions.","Journal of the American Chemical Society","2017","","","","","10.1021/jacs.7b09264","","x-ray","1.54184","CuKα","","0.0547","0.0488","","","0.1243","0.1335","","","","","","1.061","","","","has coordinates","201780","2020-10-21","18:00:00",""
"4126558","8.6938","0.0003","20.135","0.0005","14.4072","0.0003","90","","95.838","0.002","90","","2508.9","0.12","100","2","100","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","DAC-chlorobenene","","","- C29.78 H32.68 Cl N2 O2 -","- C29.7804 H32.6782 Cl0.9981 N2 O2 -","- C119.122 H130.713 Cl3.9924 N8 O8 -","4","1","","Perera, Tharushi A.; Reinheimer, Eric W.; Hudnall, Todd W.","Photochemically Switching Diamidocarbene Spin States Leads to Reversible Büchner Ring Expansions.","Journal of the American Chemical Society","2017","","","","","10.1021/jacs.7b09264","","x-ray","1.54184","CuKα","","0.0676","0.0626","","","0.152","0.1565","","","","","","1.116","","","","has coordinates,has disorder","201780","2020-10-21","18:00:00",""
"4126559","10.658","0.002","17.786","0.004","17.91","0.004","85.5","0.03","86.97","0.03","74.4","0.03","3258.1","1.3","100","","100","","","","","","","","","5","P -1","-P 1","2","","C36H42N2O2S2","","- C36 H42.5 N2 O2 S2 -","- C36 H42 N2 O2 S2 -","- C144 H168 N8 O8 S8 -","4","2","","Eckstein, Brian J.; Melkonyan, Ferdinand S.; Manley, Eric F.; Fabiano, Simone; Mouat, Aidan R.; Chen, Lin X.; Facchetti, Antonio; Marks, Tobin J.","Naphthalene Bis(4,8-diamino-1,5-dicarboxyl)amide Building Block for Semiconducting Polymers.","Journal of the American Chemical Society","2017","","","","","10.1021/jacs.7b07750","","","0.71073","MoKα","","0.1296","0.0815","","","0.2253","0.264","","","","","","1.044","","","","has coordinates","201781","2020-10-21","18:00:00",""
"4126560","16.04","0.003","5.2797","0.0011","19.767","0.004","90","","112.38","0.03","90","","1547.9","0.6","100","","100","","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","BJE_V_31","","- C36 H42 N2 O2 S2 -","- C36 H41.33 N2 O2 S2 -","- C72 H82.66 N4 O4 S4 -","2","0.5","","Eckstein, Brian J.; Melkonyan, Ferdinand S.; Manley, Eric F.; Fabiano, Simone; Mouat, Aidan R.; Chen, Lin X.; Facchetti, Antonio; Marks, Tobin J.","Naphthalene Bis(4,8-diamino-1,5-dicarboxyl)amide Building Block for Semiconducting Polymers.","Journal of the American Chemical Society","2017","","","","","10.1021/jacs.7b07750","","","0.71073","MoKα","","0.1159","0.078","","","0.1946","0.2322","","","","","","1.108","","","","has coordinates,has disorder","201782","2020-10-21","18:00:00",""
"4126561","13.472","0.006","14.483","0.006","15.234","0.006","104.171","0.004","105.935","0.003","110.081","0.006","2488","1.8","123","","123","","","","","","","","","2","P -1","-P 1","2","","","","- C66 H36 -","- C66 H36 -","- C132 H72 -","2","1","","Hosokawa, Tomoka; Takahashi, Yusuke; Matsushima, Tomoya; Watanabe, Soichiro; Kikkawa, Shoko; Azumaya, Isao; Tsurusaki, Akihiro; Kamikawa, Ken","Synthesis, Structures, and Properties of Hexapole Helicenes: Assembling Six [5]Helicene Substructures into Highly Twisted Aromatic Systems.","Journal of the American Chemical Society","2017","","","","","10.1021/jacs.7b07113","","","0.71075","MoKα","","0.1069","0.0675","","","0.1716","0.1993","","","","","","1.061","","","","has coordinates","201783","2020-10-21","18:00:00",""
"4126562","30.5024","0.0001","30.5024","0.0001","35.1637","0.0002","90","","90","","120","","28333","0.2","93","","93","","","","","","","","","3","R -3 :H","-R 3","148","","","","- C94.33 H48 Cl2 -","- C94.3323 H48 Cl1.998 -","- C1697.98 H864 Cl35.964 -","18","1","","Hosokawa, Tomoka; Takahashi, Yusuke; Matsushima, Tomoya; Watanabe, Soichiro; Kikkawa, Shoko; Azumaya, Isao; Tsurusaki, Akihiro; Kamikawa, Ken","Synthesis, Structures, and Properties of Hexapole Helicenes: Assembling Six [5]Helicene Substructures into Highly Twisted Aromatic Systems.","Journal of the American Chemical Society","2017","","","","","10.1021/jacs.7b07113","","","1.54184","CuKα","","0.0925","0.0919","","","0.2636","0.2641","","","","","","1.028","","","","has coordinates,has disorder","201783","2020-10-21","18:00:00",""
"4126563","12.834","0.003","24.28","0.006","15.784","0.004","90","","101.85","0.003","90","","4814","2","100","2","100","2","","","","","","","","6","P 1 n 1","P -2yac","7","mu-(4-(4'-pyridyl)-1,2,3,5-dithiadiazolyl)-(5,10,15,20-tetraphenylporphyrinato) cobalt(II)","","","- C56.84 H45.68 Co N7 O1.71 S2 -","- C56.838 H45.676 Co N7 O1.7095 S2 -","- C227.352 H182.704 Co4 N28 O6.838 S8 -","4","2","","Haynes, Delia A.; van Laeren, Laura J.; Munro, Orde Q.","Cobalt Porphyrin-Thiazyl Radical Coordination Polymers: Toward Metal-Organic Electronics.","Journal of the American Chemical Society","2017","","","","","10.1021/jacs.7b07803","","","0.71073","MoKα","","0.1236","0.0639","","","0.1142","0.1368","","","","","","1.008","","","","has coordinates","201784","2020-10-21","18:00:00",""
"4126564","5.964","0.0012","18.27","0.004","18.965","0.004","90","","95.62","0.03","90","","2056.5","0.8","173","2","173","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C10 H20 O18 P4 Pr -","- C10 H23 O16 P4 Pr -","- C40 H92 O64 P16 Pr4 -","4","1","","Wong, Norman E.; Ramaswamy, Padmini; Lee, Andrew; Gelfand, Benjamin S.; Bladek, Kamila; Taylor, Jared M.; Spasyuk, Denis; Shimizu, George K. H.","Tuning Intrinsic and Extrinsic Proton Conduction in Metal-Organic Frameworks by the Lanthanide Contraction.","Journal of the American Chemical Society","2017","","","","","10.1021/jacs.7b07987","","","0.71073","MoKα","","0.0718","0.0484","","","0.084","0.0923","","","","","","1.117","","","","has coordinates","201819","2020-10-21","18:00:00",""
"4126565","10.9852","0.0012","12.8546","0.0014","16.2845","0.0018","90","","107.721","0.002","90","","2190.4","0.4","150","1","150","1","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C20 H32 B2 N2 -","- C20 H32 B2 N2 -","- C80 H128 B8 N8 -","4","1","","Légaré Lavergne, Julien; Jayaraman, Arumugam; Misal-Castro, Luis C; Rochette, Etienne; Fontaine, Frédéric-Georges","Metal-Free Borylation of Heteroarenes using Ambiphilic Aminoboranes: On the Importance of Sterics in Frustrated Lewis Pair C-H Bond Activation.","Journal of the American Chemical Society","2017","","","","","10.1021/jacs.7b08143","","","0.71073","MoKα","","0.0457","0.0355","","","0.0775","0.0831","","","","","","1.039","","","","has coordinates","201820","2020-10-21","18:00:00",""
"4126566","20.3173","0.0017","10.2417","0.0009","21.1401","0.0018","90","","112.303","0.001","90","","4069.8","0.6","150","1","150","1","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C22 H32 B2 N2 -","- C22 H32 B2 N2 -","- C176 H256 B16 N16 -","8","2","","Légaré Lavergne, Julien; Jayaraman, Arumugam; Misal-Castro, Luis C; Rochette, Etienne; Fontaine, Frédéric-Georges","Metal-Free Borylation of Heteroarenes using Ambiphilic Aminoboranes: On the Importance of Sterics in Frustrated Lewis Pair C-H Bond Activation.","Journal of the American Chemical Society","2017","","","","","10.1021/jacs.7b08143","","","0.71073","MoKα","","0.0673","0.0478","","","0.1158","0.1285","","","","","","1.015","","","","has coordinates","201820","2020-10-21","18:00:00",""
"4126567","7.8345","0.0009","11.025","0.0012","10.4161","0.0012","90","","99.184","0.002","90","","888.16","0.17","150","2","150","1","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C8 H11 B F3 N -","- C8 H11 B F3 N -","- C32 H44 B4 F12 N4 -","4","1","","Légaré Lavergne, Julien; Jayaraman, Arumugam; Misal-Castro, Luis C; Rochette, Etienne; Fontaine, Frédéric-Georges","Metal-Free Borylation of Heteroarenes using Ambiphilic Aminoboranes: On the Importance of Sterics in Frustrated Lewis Pair C-H Bond Activation.","Journal of the American Chemical Society","2017","","","","","10.1021/jacs.7b08143","","","0.71073","MoKα","","0.0464","0.038","","","0.1024","0.1083","","","","","","1.062","","","","has coordinates","201820","2020-10-21","18:00:00",""
"4126568","7.546","0.005","12.6","0.008","11.855","0.008","90","","105.288","0.006","90","","1087.3","1.2","150","1","150","1","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C10 H15 B F3 N -","- C10 H15 B F3 N -","- C40 H60 B4 F12 N4 -","4","1","","Légaré Lavergne, Julien; Jayaraman, Arumugam; Misal-Castro, Luis C; Rochette, Etienne; Fontaine, Frédéric-Georges","Metal-Free Borylation of Heteroarenes using Ambiphilic Aminoboranes: On the Importance of Sterics in Frustrated Lewis Pair C-H Bond Activation.","Journal of the American Chemical Society","2017","","","","","10.1021/jacs.7b08143","","","0.71073","MoKα","","0.0705","0.0479","","","0.1136","0.1323","","","","","","1.066","","","","has coordinates","201820","2020-10-21","18:00:00",""
"4126569","13.0093","0.0005","8.6076","0.0003","20.1758","0.0008","90","","104.532","0.001","90","","2186.98","0.14","150","1","150","1","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C11 H15 B F3 N -","- C11 H15 B F3 N -","- C88 H120 B8 F24 N8 -","8","2","","Légaré Lavergne, Julien; Jayaraman, Arumugam; Misal-Castro, Luis C; Rochette, Etienne; Fontaine, Frédéric-Georges","Metal-Free Borylation of Heteroarenes using Ambiphilic Aminoboranes: On the Importance of Sterics in Frustrated Lewis Pair C-H Bond Activation.","Journal of the American Chemical Society","2017","","","","","10.1021/jacs.7b08143","","","0.71073","MoKα","","0.0592","0.0416","","","0.1049","0.1152","","","","","","1.041","","","","has coordinates","201820","2020-10-21","18:00:00",""
"4126570","5.7623","0.0002","7.1924","0.0003","27.539","0.0011","90","","90","","90","","1141.35","0.08","150","2","150","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C14 H13 Cl O -","- C14 H13 Cl O -","- C56 H52 Cl4 O4 -","4","1","","Line, Nathan J.; Witherspoon, Brittany P.; Hancock, Erin N.; Brown, M. Kevin","Synthesis of ent-[3]-Ladderanol: Development and Application of Intramolecular Chirality Transfer [2+2] Cycloadditions of Allenic Ketones and Alkenes.","Journal of the American Chemical Society","2017","","","","","10.1021/jacs.7b09844","","","0.71073","MoKα","","0.0317","0.0293","","","0.0768","0.0783","","","","","","1.067","","","","has coordinates","201853","2020-10-21","18:00:00",""
"4126571","16.1025","0.0009","17.336","0.0009","24.1196","0.0014","79.233","0.002","88.547","0.002","63.057","0.002","5883","0.6","273","2","273","2","","","","","","","","4","P -1","-P 1","2","","","","- C142 H114 N18 O12 -","- C142 H114 N18 O12 -","- C284 H228 N36 O24 -","2","1","","Li, Zhikai; Gu, Jiali; Qi, Shengli; Wu, Dezhen; Gao, Lingfeng; Chen, Ze; Guo, Jun; Li, Xiaohong; Wang, Yong; Yang, Xiaoming; Tu, Yingfeng","Shackling Effect Induced Property Differences in Metallo-Supramolecular Polymers.","Journal of the American Chemical Society","2017","","","","","10.1021/jacs.7b07965","","","0.71073","MoKα","","0.0796","0.0569","","","0.1535","0.1862","","","","","","0.63","","","","has coordinates","201888","2020-10-21","18:00:00",""
"4126572","22.929","0.004","24.789","0.009","30.006","0.009","78.56","0.03","70.79","0.02","73.22","0.03","15319","8","150","2","150","2","","","","","","","","5","P -1","-P 1","2","","","","- C252 H247 Cl4 N52 O42 -","- C252 Cl4 N52 O42 -","- C504 Cl8 N104 O84 -","2","1","","Lamouroux, Arthur; Sebaoun, Laure; Wicher, Barbara; Kauffmann, Brice; Ferrand, Yann; Maurizot, Victor; Huc, Ivan","Controlling Dipole Orientation through Curvature: Aromatic Foldamer Bent β-Sheets and Helix-Sheet-Helix Architectures.","Journal of the American Chemical Society","2017","","","","","10.1021/jacs.7b07961","","","1.54178","CuKα","","0.3159","0.2307","","","0.5007","0.5706","","","","","","1.226","","","","has coordinates","201889","2020-10-21","18:00:00",""
"4126573","14.5984","0.0005","16.9665","0.0006","24.2101","0.0017","94.169","0.007","106.752","0.007","103.726","0.007","5513.5","0.6","150","2","150","2","","","","","","","","5","P -1","-P 1","2","","","","- C92 H94 Cl6 N16 O16 -","- C92 H94 Cl6 N16 O16 -","- C184 H188 Cl12 N32 O32 -","2","1","","Lamouroux, Arthur; Sebaoun, Laure; Wicher, Barbara; Kauffmann, Brice; Ferrand, Yann; Maurizot, Victor; Huc, Ivan","Controlling Dipole Orientation through Curvature: Aromatic Foldamer Bent β-Sheets and Helix-Sheet-Helix Architectures.","Journal of the American Chemical Society","2017","","","","","10.1021/jacs.7b07961","","","1.54178","CuKα","","0.1241","0.086","","","0.2429","0.2708","","","","","","0.992","","","","has coordinates","201890","2020-10-21","18:00:00",""
"4126574","16.038","0.003","16.052","0.003","33.23","0.007","88.15","0.03","88.18","0.03","84.5","0.03","8507","3","100","2","100","2","","","","","","","","4","P -1","-P 1","2","","","","- C160 H168 N26 O30 -","- C160 H168 N26 O30 -","- C320 H336 N52 O60 -","2","1","","Lamouroux, Arthur; Sebaoun, Laure; Wicher, Barbara; Kauffmann, Brice; Ferrand, Yann; Maurizot, Victor; Huc, Ivan","Controlling Dipole Orientation through Curvature: Aromatic Foldamer Bent β-Sheets and Helix-Sheet-Helix Architectures.","Journal of the American Chemical Society","2017","","","","","10.1021/jacs.7b07961","","","0.8","synchrotron","","0.0907","0.086","","","0.2416","0.2458","","","","","","1.072","","","","has coordinates","201891","2020-10-21","18:00:00",""
"4126575","26.58","0.006","31.783","0.005","39.824","0.007","90","","117.15","0.003","90","","29936","10","100","2","100","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C240 H248 Cl6 N48 O44 -","- C240 H248 Cl6 N48 O44 -","- C960 H992 Cl24 N192 O176 -","4","1","","Lamouroux, Arthur; Sebaoun, Laure; Wicher, Barbara; Kauffmann, Brice; Ferrand, Yann; Maurizot, Victor; Huc, Ivan","Controlling Dipole Orientation through Curvature: Aromatic Foldamer Bent β-Sheets and Helix-Sheet-Helix Architectures.","Journal of the American Chemical Society","2017","","","","","10.1021/jacs.7b07961","","","1.54178","CuKα","","0.1986","0.1449","","","0.3639","0.3839","","","","","","1.94","","","","has coordinates","201892","2020-10-21","18:00:00",""
"4126576","19.71","0.005","37.726","0.008","47.105","0.01","79.047","0.01","88.988","0.013","83.752","0.008","34184","13","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","","","- C142 H143 Cl3 N26 O25 -","- C141.25 Cl3 N26 O25 -","- C1130 Cl24 N208 O200 -","8","4","","Lamouroux, Arthur; Sebaoun, Laure; Wicher, Barbara; Kauffmann, Brice; Ferrand, Yann; Maurizot, Victor; Huc, Ivan","Controlling Dipole Orientation through Curvature: Aromatic Foldamer Bent β-Sheets and Helix-Sheet-Helix Architectures.","Journal of the American Chemical Society","2017","","","","","10.1021/jacs.7b07961","","","1.54178","CuKα","","0.314","0.1892","","","0.4252","0.4616","","","","","","1.686","","","","has coordinates","201893","2020-10-21","18:00:00",""
"4126577","10.3068","0.0002","14.5755","0.0003","15.4152","0.0003","90","","90","","90","","2315.78","0.08","100","2","100","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C28 H29 N O2 S -","- C28 H29 N O2 S -","- C112 H116 N4 O8 S4 -","4","1","","Li, Miao-Miao; Wei, Yi; Liu, Jie; Chen, Hong-Wei; Lu, Liang-Qiu; Xiao, Wen-Jing","Sequential Visible-Light Photoactivation and Palladium Catalysis Enabling Enantioselective [4+2] Cycloadditions.","Journal of the American Chemical Society","2017","","","","","10.1021/jacs.7b08310","","","1.54178","CuKα","","0.0281","0.0272","","","0.0759","0.0878","","","","","","1.191","","","","has coordinates","201921","2020-10-21","18:00:00",""
"4126578","10.0178","0.0003","12.0591","0.0003","32.58","0.0008","90","","90","","90","","3935.85","0.18","297","2","297","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C21 H23 N O3 S -","- C21 H23 N O3 S -","- C168 H184 N8 O24 S8 -","8","2","","Li, Miao-Miao; Wei, Yi; Liu, Jie; Chen, Hong-Wei; Lu, Liang-Qiu; Xiao, Wen-Jing","Sequential Visible-Light Photoactivation and Palladium Catalysis Enabling Enantioselective [4+2] Cycloadditions.","Journal of the American Chemical Society","2017","","","","","10.1021/jacs.7b08310","","","1.54178","CuKα","","0.0454","0.0439","","","0.117","0.1188","","","","","","1.085","","","","has coordinates,has disorder","201922","2020-10-21","18:00:00",""
"4126579","15.191","0.003","20.455","0.003","21.079","0.003","75.08","0.002","79.41","0.002","78.139","0.002","6134.4","1.7","133","2","133","2","","","","","","","","7","P -1","-P 1","2","","","","- C84 H210 K2 N12 O15 Sc2 Si12 -","- C84 H210 K2 N12 O15 Sc2 Si12 -","- C168 H420 K4 N24 O30 Sc4 Si24 -","2","1","","Woen, David; Chen, Guo P.; Ziller, Joseph W.; Boyle, Timothy J.; Furche, Filipp; Evans, William J.","An End-on Bridging Dinitrogen Complex of Scandium.","Journal of the American Chemical Society","2017","","","","","10.1021/jacs.7b08456","","","0.71073","MoKα","","0.1161","0.0564","","","0.1036","0.1229","","","","","","0.996","","","","has coordinates","201923","2020-10-21","18:00:00",""
"4126580","16.144","0.003","15.029","0.003","17.02","0.003","90","","90","","90","","4129.5","1.3","100","2","100","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C28 H18 N2 O2 -","- C28 H18 N2 O2 -","- C224 H144 N16 O16 -","8","1","","Huang, Chung-Yang; Bonasera, Aurelio; Hristov, Lachezar; Garmshausen, Yves; Schmidt, Bernd M.; Jacquemin, Denis; Hecht, Stefan","N,N′-Disubstituted Indigos as Readily Available Red-Light Photoswitches with Tunable Thermal Half-Lives","Journal of the American Chemical Society","2017","","","","","10.1021/jacs.7b08726","","","0.71073","MoKα","","0.0394","0.0366","","","0.0928","0.0952","","","","","","1.024","","","","has coordinates","201924","2020-10-21","18:00:00",""
"4126581","7.0367","0.0005","17.1664","0.0012","7.0476","0.0005","90","","97.445","0.003","90","","844.14","0.1","93","2","93","2","","","","","","","","3","P 1 21/m 1","-P 2yb","11","","","","- C19 H22 O4 -","- C19 H22 O4 -","- C38 H44 O8 -","2","0.5","","Kim, Byoungmoo; Storch, Golo; Banerjee, Gourab; Mercado, Brandon Q.; Castillo-Lora, Janelle; Brudvig, Gary W.; Mayer, James M.; Miller, Scott J.","Stereodynamic Quinone-Hydroquinone Molecules That Enantiomerize at sp(3)-Carbon via Redox-Interconversion.","Journal of the American Chemical Society","2017","","","","","10.1021/jacs.7b09176","","","1.54178","CuKα","","0.1046","0.0683","","","0.1319","0.1484","","","","","","1.142","","","","has coordinates,has disorder","201943","2020-10-21","18:00:00",""
"4126582","16.582","0.0018","11.9644","0.0016","16.272","0.002","90","","90","","90","","3228.3","0.7","93","2","93","2","","","","","","","","3","P b c n","-P 2n 2ab","60","","","","- C19 H20 O4 -","- C19 H20 O4 -","- C152 H160 O32 -","8","1","","Kim, Byoungmoo; Storch, Golo; Banerjee, Gourab; Mercado, Brandon Q.; Castillo-Lora, Janelle; Brudvig, Gary W.; Mayer, James M.; Miller, Scott J.","Stereodynamic Quinone-Hydroquinone Molecules That Enantiomerize at sp(3)-Carbon via Redox-Interconversion.","Journal of the American Chemical Society","2017","","","","","10.1021/jacs.7b09176","","","0.71073","MoKα","","0.1748","0.0937","","","0.2503","0.3389","","","","","","1.003","","","","has coordinates","201944","2020-10-21","18:00:00",""
"4126583","6.6711","0.0005","30.029","0.002","11.338","0.0008","90","","92.834","0.002","90","","2268.5","0.3","93","2","93","2","","","","","","","","3","P 1 21 1","P 2yb","4","","","","- C25 H32 O4 -","- C25 H32 O4 -","- C100 H128 O16 -","4","2","","Kim, Byoungmoo; Storch, Golo; Banerjee, Gourab; Mercado, Brandon Q.; Castillo-Lora, Janelle; Brudvig, Gary W.; Mayer, James M.; Miller, Scott J.","Stereodynamic Quinone-Hydroquinone Molecules That Enantiomerize at sp(3)-Carbon via Redox-Interconversion.","Journal of the American Chemical Society","2017","","","","","10.1021/jacs.7b09176","","","1.54178","CuKα","","0.0956","0.0827","","","0.2333","0.2486","","","","","","1.031","","","","has coordinates","201945","2020-10-21","18:00:00",""
"4126584","21.9649","0.0015","20.8793","0.0015","11.315","0.0008","90","","90","","90","","5189.2","0.6","93","2","93","2","","","","","","","","3","P n m a","-P 2ac 2n","62","","","","- C25 H36 O4 -","- C25 H36 O4 -","- C200 H288 O32 -","8","1","","Kim, Byoungmoo; Storch, Golo; Banerjee, Gourab; Mercado, Brandon Q.; Castillo-Lora, Janelle; Brudvig, Gary W.; Mayer, James M.; Miller, Scott J.","Stereodynamic Quinone-Hydroquinone Molecules That Enantiomerize at sp(3)-Carbon via Redox-Interconversion.","Journal of the American Chemical Society","2017","","","","","10.1021/jacs.7b09176","","","1.54178","CuKα","","0.0727","0.0605","","","0.1633","0.1759","","","","","","1.046","","","","has coordinates","201946","2020-10-21","18:00:00",""
"4126585","10.9748","0.0008","12.0537","0.0008","17.2557","0.0012","90","","90","","90","","2282.7","0.3","93","2","93","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C25 H34 O4 -","- C25 H34 O4 -","- C100 H136 O16 -","4","1","","Kim, Byoungmoo; Storch, Golo; Banerjee, Gourab; Mercado, Brandon Q.; Castillo-Lora, Janelle; Brudvig, Gary W.; Mayer, James M.; Miller, Scott J.","Stereodynamic Quinone-Hydroquinone Molecules That Enantiomerize at sp(3)-Carbon via Redox-Interconversion.","Journal of the American Chemical Society","2017","","","","","10.1021/jacs.7b09176","","","1.54178","CuKα","","0.0283","0.026","","","0.0627","0.0637","","","","","","1.057","","","","has coordinates","201947","2020-10-21","18:00:00",""
"4126586","13.5005","0.0009","18.3699","0.0013","7.0032","0.0005","90","","90","","90","","1736.8","0.2","93","2","93","2","","","","","","","","3","P n m a","-P 2ac 2n","62","","","","- C19 H24 O4 -","- C19 H24 O4 -","- C76 H96 O16 -","4","0.5","","Kim, Byoungmoo; Storch, Golo; Banerjee, Gourab; Mercado, Brandon Q.; Castillo-Lora, Janelle; Brudvig, Gary W.; Mayer, James M.; Miller, Scott J.","Stereodynamic Quinone-Hydroquinone Molecules That Enantiomerize at sp(3)-Carbon via Redox-Interconversion.","Journal of the American Chemical Society","2017","","","","","10.1021/jacs.7b09176","","","1.54178","CuKα","","0.0482","0.0404","","","0.1069","0.1129","","","","","","1.046","","","","has coordinates,has disorder","201948","2020-10-21","18:00:00",""
"4126587","10.03354","0.00009","17.17472","0.00017","25.8767","0.0002","90","","90","","90","","4459.16","0.07","110","2","110","2","","","","","","","","7","P 21 21 21","P 2ac 2ab","19","","","","- C38 H40 F12 N10 O6 P2 Ru -","- C38 H40 F12 N10 O6 P2 Ru -","- C152 H160 F48 N40 O24 P8 Ru4 -","4","1","","Li, Guocan; Swords, Wesley B.; Meyer, Gerald J.","Bromide Photo-oxidation Sensitized to Visible Light in Consecutive Ion Pairs.","Journal of the American Chemical Society","2017","","","","","10.1021/jacs.7b06735","","","1.54178","CuKα","","0.0318","0.0307","","","0.0762","0.0768","","","","","","1.1","","","","has coordinates","201949","2020-10-21","18:00:00",""
"4126588","8.3418","0.0002","11.7784","0.0003","20.0842","0.0004","90","","90","","90","","1973.33","0.08","230","2","230","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C21 H26 O3 Si -","- C21 H26 O3 Si -","- C84 H104 O12 Si4 -","4","1","","Burrows, Lauren C.; Jesikiewicz, Luke T.; Lu, Gang; Geib, Steven J.; Liu, Peng; Brummond, Kay M.","Computationally Guided Catalyst Design in the Type I Dynamic Kinetic Asymmetric Pauson‒Khand Reaction of Allenyl Acetates","Journal of the American Chemical Society","2017","","","","","10.1021/jacs.7b07121","","","1.54178","CuKα","","0.0253","0.0248","","","0.0767","0.0774","","","","","","1.034","","","","has coordinates","201950","2020-10-21","18:00:00",""
"4126589","25.622","0.006","12.955","0.003","32.433","0.007","90","","94.853","0.006","90","","10727","4","100","2","100","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C96 H60 Cu F10 N4 Pd -","- C96 H60 Cu F10 N4 Pd -","- C384 H240 Cu4 F40 N16 Pd4 -","4","1","","Ke, Xian-Sheng; Hong, Yongseok; Tu, Peiyu; He, Qing; Lynch, Vincent M.; Kim, Dongho; Sessler, Jonathan L.","Hetero Cu(III)-Pd(II) Complex of a Dibenzo[g,p]chrysene-Fused Bis-dicarbacorrole with Stable Organic Radical Character.","Journal of the American Chemical Society","2017","","","","","10.1021/jacs.7b09167","","","0.71073","MoKα","","0.1759","0.1108","","","0.241","0.2908","","","","","","1.047","","","","has coordinates,has disorder","201997","2020-10-21","18:00:00",""
"4126590","29.296","0.007","12.4764","0.0012","27.728","0.004","90","","123.12","0.02","90","","8488","3","100","2","100","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C96 H66 F10 N4 -","- C96 H66 F10 N4 -","- C384 H264 F40 N16 -","4","0.5","","Ke, Xian-Sheng; Hong, Yongseok; Tu, Peiyu; He, Qing; Lynch, Vincent M.; Kim, Dongho; Sessler, Jonathan L.","Hetero Cu(III)-Pd(II) Complex of a Dibenzo[g,p]chrysene-Fused Bis-dicarbacorrole with Stable Organic Radical Character.","Journal of the American Chemical Society","2017","","","","","10.1021/jacs.7b09167","","","1.54184","CuKα","","0.185","0.0899","","","0.2238","0.2937","","","","","","1.001","","","","has coordinates","201998","2020-10-21","18:00:00",""
"4126591","21.6091","0.0005","12.366","0.0003","17.1126","0.0004","90","","99.589","0.002","90","","4508.91","0.19","100","2","100","2","","","","","","","","5","P 1 2/c 1","-P 2yc","13","","","","- C96 H60 Cu2 F10 N4 -","- C96 H60 Cu2 F10 N4 -","- C192 H120 Cu4 F20 N8 -","2","0.5","","Ke, Xian-Sheng; Hong, Yongseok; Tu, Peiyu; He, Qing; Lynch, Vincent M.; Kim, Dongho; Sessler, Jonathan L.","Hetero Cu(III)-Pd(II) Complex of a Dibenzo[g,p]chrysene-Fused Bis-dicarbacorrole with Stable Organic Radical Character.","Journal of the American Chemical Society","2017","","","","","10.1021/jacs.7b09167","","","1.54184","CuKα","","0.1081","0.0824","","","0.2175","0.2454","","","","","","1.049","","","","has coordinates","201999","2020-10-21","18:00:00",""
"4126592","10.4859","0.0003","21.6432","0.0006","10.9315","0.0003","90","","92.895","0.002","90","","2477.72","0.12","296","2","296","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C26 H21 O P S4 -","- C26 H21 O P S4 -","- C104 H84 O4 P4 S16 -","4","1","","Wu, Nathan Man-Wai; Ng, Maggie; Lam, Wai Han; Wong, Hok-Lai; Yam, Vivian Wing-Wah","Photochromic Heterocycle-Fused Thieno[3,2-b]phosphole Oxides as Visible Light Switches without Sacrificing Photoswitching Efficiency","Journal of the American Chemical Society","2017","","","","","10.1021/jacs.7b08333","","","0.71073","MoKα","","0.0547","0.0391","","","0.1138","0.1248","","","","","","1.069","","","","has coordinates","202000","2020-10-21","18:00:00",""
"4126593","30.6657","0.0013","8.4192","0.0003","24.8343","0.001","90","","127.035","0.001","90","","5118.3","0.4","296","2","296","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C28 H23 O P S3 -","- C28 H23 O P S3 -","- C224 H184 O8 P8 S24 -","8","1","","Wu, Nathan Man-Wai; Ng, Maggie; Lam, Wai Han; Wong, Hok-Lai; Yam, Vivian Wing-Wah","Photochromic Heterocycle-Fused Thieno[3,2-b]phosphole Oxides as Visible Light Switches without Sacrificing Photoswitching Efficiency","Journal of the American Chemical Society","2017","","","","","10.1021/jacs.7b08333","","","0.71073","MoKα","","0.0641","0.0389","","","0.0953","0.1089","","","","","","1.009","","","","has coordinates","202001","2020-10-21","18:00:00",""
"4126594","9.3504","0.0013","11.1993","0.0017","25.696","0.004","90","","90","","90","","2690.8","0.7","100","2","100","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","cp142","","","- C17 H16 N2 O -","- C17 H16 N2 O -","- C136 H128 N16 O8 -","8","1","","Petermayer, Christian; Thumser, Stefan; Kink, Florian; Mayer, Peter; Dube, Henry","Hemiindigo - Highly Bistable Photoswitching at the Biooptical Window.","Journal of the American Chemical Society","2017","","","","","10.1021/jacs.7b07531","","","0.71073","MoKα","","0.0516","0.0397","","","0.0969","0.1065","","","","","","1.106","","","","has coordinates","202002","2020-10-21","18:00:00",""
"4126595","10.6721","0.0003","12.1232","0.0003","25.2806","0.0007","90","","90","","90","","3270.8","0.15","123","2","123","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","CP198-C2","","","- C21 H20 N2 O -","- C21 H20 N2 O -","- C168 H160 N16 O8 -","8","1","","Petermayer, Christian; Thumser, Stefan; Kink, Florian; Mayer, Peter; Dube, Henry","Hemiindigo - Highly Bistable Photoswitching at the Biooptical Window.","Journal of the American Chemical Society","2017","","","","","10.1021/jacs.7b07531","","","0.71073","MoKα","","0.0499","0.0389","","","0.0878","0.0939","","","","","","1.057","","","","has coordinates","202002","2020-10-21","18:00:00",""
"4126596","5.597","0.0001","8.462","0.0002","34.1983","0.0007","90","","90","","90","","1619.69","0.06","100","2","100","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","cp157","","","- C20 H22 N2 O -","- C20 H22 N2 O -","- C80 H88 N8 O4 -","4","1","","Petermayer, Christian; Thumser, Stefan; Kink, Florian; Mayer, Peter; Dube, Henry","Hemiindigo - Highly Bistable Photoswitching at the Biooptical Window.","Journal of the American Chemical Society","2017","","","","","10.1021/jacs.7b07531","","","0.71073","MoKα","","0.0391","0.0366","","","0.0934","0.0953","","","","","","1.066","","","","has coordinates","202002","2020-10-21","18:00:00",""
"4126597","8.4893","0.0003","12.6179","0.0005","17.8392","0.0006","90","","101.783","0.001","90","","1870.62","0.12","100","2","100","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","CP196-F2-C2","","","- C24 H26 N2 O -","- C24 H26 N2 O -","- C96 H104 N8 O4 -","4","1","","Petermayer, Christian; Thumser, Stefan; Kink, Florian; Mayer, Peter; Dube, Henry","Hemiindigo - Highly Bistable Photoswitching at the Biooptical Window.","Journal of the American Chemical Society","2017","","","","","10.1021/jacs.7b07531","","","0.71073","MoKα","","0.092","0.0674","","","0.1581","0.1744","","","","","","1.023","","","","has coordinates","202002","2020-10-21","18:00:00",""
"4126598","10.9826","0.0018","13.462","0.002","17.649","0.003","101.096","0.006","105.259","0.005","104.987","0.006","2334.8","0.7","100","","100","","","","","","","","","7","P -1","-P 1","2","","","","- C100 H128 Dy3 Fe6 I Li4 O10 -","- C100 H128 Dy3 Fe6 I Li4 O10 -","- C100 H128 Dy3 Fe6 I Li4 O10 -","1","0.5","","Latendresse, Trevor P.; Bhuvanesh, Nattamai S.; Nippe, Michael","Hard Single-Molecule Magnet Behavior By a Linear Trinuclear Lanthanide-[1]Metallocenophane Complex.","Journal of the American Chemical Society","2017","","","","","10.1021/jacs.7b08690","","x-ray","0.71073","MoKα","","0.0651","0.0545","","","0.1101","0.119","","","","","","1.19","","","","has coordinates,has disorder","202060","2020-10-21","18:00:00",""
"4126599","16.1039","0.0006","17.0961","0.0006","27.6983","0.001","95.184","0.002","91.202","0.003","117.634","0.002","6711.1","0.4","120","2","120.02","","","","","","","","","8","P -1","-P 1","2","","","","- C90 H198 Ge18 K2 N4 O12 Pd3 Si6 -","- C90 H198 Ge18 K2 N4 O12 Pd3 Si6 -","- C180 H396 Ge36 K4 N8 O24 Pd6 Si12 -","2","1","","Perla, Luis G.; Muñoz-Castro, Alvaro; Sevov, Slavi C.","Eclipsed- and Staggered-[Ge18Pd3{E(i)Pr3}6](2-) (E = Si, Sn): Positional Isomerism in Deltahedral Zintl Clusters.","Journal of the American Chemical Society","2017","","","","","10.1021/jacs.7b08562","","","1.54178","CuKα","","0.0809","0.0587","","","0.1499","0.1661","","","","","","1.033","","","","has coordinates,has disorder","202061","2020-10-21","18:00:00",""
"4126600","16.848","0.004","19.14","0.005","32.176","0.008","95.902","0.003","90.31","0.003","113.358","0.003","9463","4","120","2","120.52","","","","","","","","","8","P -1","-P 1","2","","","","- C156 H294 Ge18 K2 N4 O15 Pd3 Sn6 -","- C152 H285 Ge18 K2 N4 O14 Pd3 Sn6 -","- C304 H570 Ge36 K4 N8 O28 Pd6 Sn12 -","2","1","","Perla, Luis G.; Muñoz-Castro, Alvaro; Sevov, Slavi C.","Eclipsed- and Staggered-[Ge18Pd3{E(i)Pr3}6](2-) (E = Si, Sn): Positional Isomerism in Deltahedral Zintl Clusters.","Journal of the American Chemical Society","2017","","","","","10.1021/jacs.7b08562","","","0.71073","MoKα","","0.0519","0.0396","","","0.0949","0.101","","","","","","1.044","","","","has coordinates","202063","2020-10-21","18:00:00",""
"4126601","14.14437","0.00018","10.66001","0.0001","14.34156","0.00018","90","","115.551","0.0016","90","","1950.93","0.05","110","2","110","2","","","","","","","","5","P 1 n 1","P -2yac","7","","","","- C23 H15 Br N2 O8 -","- C23 H15 Br N2 O8 -","- C92 H60 Br4 N8 O32 -","4","2","","Guan, Liangyu; Holl, Maxwell Gargiulo; Pitts, Cody Ross; Struble, Mark D.; Siegler, Maxime A.; Lectka, Thomas","Through-Space Activation Can Override Substituent Effects in Electrophilic Aromatic Substitution.","Journal of the American Chemical Society","2017","","","","","10.1021/jacs.7b09792","","","1.54178","CuKα","","0.0335","0.032","","","0.0889","0.0903","","","","","","1.059","","","","has coordinates,has disorder","202064","2020-10-21","18:00:00",""
"4126602","14.9116","0.0005","10.7633","0.0004","21.0691","0.0007","90","","92.606","0.003","90","","3378.1","0.2","250","2","250","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C23 H18 O4 -","- C23 H18 O4 -","- C184 H144 O32 -","8","2","","Guan, Liangyu; Holl, Maxwell Gargiulo; Pitts, Cody Ross; Struble, Mark D.; Siegler, Maxime A.; Lectka, Thomas","Through-Space Activation Can Override Substituent Effects in Electrophilic Aromatic Substitution.","Journal of the American Chemical Society","2017","","","","","10.1021/jacs.7b09792","","","0.71073","MoKα","","0.0611","0.0456","","","0.1104","0.1207","","","","","","1.031","","","","has coordinates,has disorder","202065","2020-10-21","18:00:00",""
"4126603","9.0304","0.0003","10.573","0.0003","15.5426","0.0005","98.576","0.003","91.662","0.003","104.927","0.003","1414.34","0.08","110","2","110","2","","","","","","","","4","P -1","-P 1","2","","","","- C29 H28 Br4 O5 -","- C29 H28 Br4 O5 -","- C58 H56 Br8 O10 -","2","1","","Guan, Liangyu; Holl, Maxwell Gargiulo; Pitts, Cody Ross; Struble, Mark D.; Siegler, Maxime A.; Lectka, Thomas","Through-Space Activation Can Override Substituent Effects in Electrophilic Aromatic Substitution.","Journal of the American Chemical Society","2017","","","","","10.1021/jacs.7b09792","","","1.54178","CuKα","","0.0361","0.0292","","","0.0673","0.071","","","","","","1.035","","","","has coordinates","202066","2020-10-21","18:00:00",""
"4126604","10.7331","0.0006","10.8919","0.0007","25.2888","0.0016","78.597","0.003","78.146","0.003","85.05","0.003","2833","0.3","100","2","100","2","","","","","","","","7","P -1","-P 1","2","HJ3043","SVK3_177","","- C51 H50 F18 Mo N2 O7 S2 -","- C51 H50 F18 Mo N2 O7 S2 -","- C102 H100 F36 Mo2 N4 O14 S4 -","2","1","","Jeong, Hyangsoo; von Kugelgen, Stephen; Bellone, Donatela; Fischer, Felix R.","Regioselective Termination Reagents for Ring-Opening Alkyne Metathesis Polymerization.","Journal of the American Chemical Society","2017","","","","","10.1021/jacs.7b09390","","","0.71073","MoKα","","0.0654","0.0535","","","0.1306","0.1385","","","","","","1.058","","","","has coordinates,has disorder","202124","2020-10-21","18:00:00",""
"4126605","10.0185","0.0003","10.8539","0.0003","17.1855","0.0005","77.653","0.002","80.752","0.002","84.727","0.002","1798.59","0.09","100","2","100","2","","","","","","","","6","P -1","-P 1","2","HJ2035","SVK3_36","","- C29 H26 F18 Mo N2 O5 -","- C29 H26 F18 Mo N2 O5 -","- C58 H52 F36 Mo2 N4 O10 -","2","1","","Jeong, Hyangsoo; von Kugelgen, Stephen; Bellone, Donatela; Fischer, Felix R.","Regioselective Termination Reagents for Ring-Opening Alkyne Metathesis Polymerization.","Journal of the American Chemical Society","2017","","","","","10.1021/jacs.7b09390","","","0.71073","MoKα","","0.0462","0.0367","","","0.0838","0.0876","","","","","","1.067","","","","has coordinates","202125","2020-10-21","18:00:00",""
"4126606","22.3586","0.0013","14.6161","0.0009","26.6473","0.0017","90","","114.583","0.003","90","","7918.9","0.9","100","2","100","2","","","","","","","","6","P 1 21 1","P 2yb","4","PDJPK15","","","- C39 H54 Cl2 Mn N4 O4 -","- C39 H54 Cl2 Mn N4 O4 -","- C312 H432 Cl16 Mn8 N32 O32 -","8","4","","Huang, Xiongyi; Zhuang, Thompson; Kates, Patrick A.; Gao, Hongxin; Chen, Xinyi; Groves, John T.","Alkyl Isocyanates via Manganese-Catalyzed C-H Activation for the Preparation of Substituted Ureas.","Journal of the American Chemical Society","2017","","","","","10.1021/jacs.7b07658","","","1.54178","CuKα","","0.087","0.0781","","","0.205","0.2197","","","","","","1.041","","","","has coordinates,has disorder","202126","2020-10-21","18:00:00",""
"4126607","13.87209","0.00018","14.5091","0.0002","24.6499","0.0003","90","","90","","90","","4961.32","0.11","150","0.1","150","0.1","","","","","","","synthesis as described","5","P 21 21 21","P 2ac 2ab","19","","","","- C29 H28 N2 O3 S -","- C29 H28 N2 O3 S -","- C232 H224 N16 O24 S8 -","8","2","","Del Pozo, Sandra; Vera, Silvia; Oiarbide, Mikel; Palomo, Claudio","Catalytic Asymmetric Synthesis of Quaternary Barbituric Acids.","Journal of the American Chemical Society","2017","","","","","10.1021/jacs.7b09124","","x-ray","1.54184","CuKα","","0.0709","0.0573","","","0.1375","0.1457","","","","","","1.054","","","","has coordinates","202127","2020-10-21","18:00:00",""
"4126608","9.83592","0.00012","6.02967","0.00006","13.59401","0.00015","90","","96.8558","0.0011","90","","800.46","0.015","150","0.1","150","0.1","","","","","","","synthesis as described","4","P 1 21 1","P 2yb","4","","","","- C17 H20 N2 O5 -","- C17 H20 N2 O5 -","- C34 H40 N4 O10 -","2","1","","Del Pozo, Sandra; Vera, Silvia; Oiarbide, Mikel; Palomo, Claudio","Catalytic Asymmetric Synthesis of Quaternary Barbituric Acids.","Journal of the American Chemical Society","2017","","","","","10.1021/jacs.7b09124","","x-ray","1.54184","CuKα","","0.024","0.0235","","","0.06","0.0604","","","","","","1.03","","","","has coordinates","202128","2020-10-21","18:00:00",""
"4126609","25.751","0.004","25.751","0.004","6.8192","0.0011","90","","90","","120","","3916.1","1.1","100","2","100","2","","","","","","","","4","R 3 m :H","R 3 -2""","160","","","","- C12 H10 Co2 O6 -","- C12 H2 Co2 O6 -","- C108 H18 Co18 O54 -","9","0.5","","Bachman, Jonathan E.; Kapelewski, Matthew T.; Reed, Douglas A.; Gonzalez, Miguel I.; Long, Jeffrey R.","M2(m-dobdc) (M = Mn, Fe, Co, Ni) Metal-Organic Frameworks as Highly-Selective, High-Capacity Adsorbents for Olefin/Paraffin Separations.","Journal of the American Chemical Society","2017","","","","","10.1021/jacs.7b06397","","","0.8856","synchrotron","","0.0537","0.0456","","","0.1099","0.1151","","","","","","1.078","","","","has coordinates","208816","2020-10-21","18:00:00",""
"4126610","25.72","0.007","25.72","0.007","6.853","0.002","90","","90","","120","","3926","1.9","100","2","100","2","","","","","","","","4","R -3","-R 3","148","","","","- C11.78 H9.57 Co2 O6 -","- C11.784 H9.568 Co2 O6 -","- C106.056 H86.112 Co18 O54 -","9","","","Bachman, Jonathan E.; Kapelewski, Matthew T.; Reed, Douglas A.; Gonzalez, Miguel I.; Long, Jeffrey R.","M2(m-dobdc) (M = Mn, Fe, Co, Ni) Metal-Organic Frameworks as Highly-Selective, High-Capacity Adsorbents for Olefin/Paraffin Separations.","Journal of the American Chemical Society","2017","","","","","10.1021/jacs.7b06397","","","0.6888","synchrotron","","0.0827","0.0613","","","0.1113","0.1204","","","","","","1.101","","","","has coordinates","202151","2020-10-21","18:00:00",""
"4126611","13.2688","0.0006","26.1296","0.0013","23.6139","0.0011","90","","97.541","0.001","90","","8116.3","0.7","100","2","100","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C90 H102 Cl Fe N3 O2 -","- C90 H102 Cl Fe N3 O2 -","- C360 H408 Cl4 Fe4 N12 O8 -","4","1","","Maity, Arnab K.; Murillo, Jesse; Metta-Magaña, Alejandro J; Pinter, Balazs; Fortier, Skye","A Terminal Iron(IV) Nitride Supported by a Super Bulky Guanidinate Ligand and Examination of Its Electronic Structure and Reactivity.","Journal of the American Chemical Society","2017","","","","","10.1021/jacs.7b06919","","","0.71073","MoKα","","0.0852","0.0598","","","0.1671","0.1799","","","","","","1.138","","","","has coordinates,has disorder","202214","2020-10-21","18:00:00",""
"4126612","16.192","0.002","21.042","0.003","24.586","0.003","90","","101.876","0.003","90","","8197.4","1.8","100","2","100","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C180 H208 Fe2 N18 Na2 O4 -","- C180 H208 Fe2 N18 Na2 O4 -","- C360 H416 Fe4 N36 Na4 O8 -","2","0.5","","Maity, Arnab K.; Murillo, Jesse; Metta-Magaña, Alejandro J; Pinter, Balazs; Fortier, Skye","A Terminal Iron(IV) Nitride Supported by a Super Bulky Guanidinate Ligand and Examination of Its Electronic Structure and Reactivity.","Journal of the American Chemical Society","2017","","","","","10.1021/jacs.7b06919","","","0.71073","MoKα","","0.1068","0.0588","","","0.1179","0.1347","","","","","","1.024","","","","has coordinates,has disorder","202215","2020-10-21","18:00:00",""
"4126613","11.9645","0.0005","27.5284","0.0011","22.0629","0.0009","90","","101.085","0.001","90","","7131.1","0.5","100","2","100","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C83 H86 Cl2 Fe N4 -","- C83 H86 Cl2 Fe N4 -","- C332 H344 Cl8 Fe4 N16 -","4","1","","Maity, Arnab K.; Murillo, Jesse; Metta-Magaña, Alejandro J; Pinter, Balazs; Fortier, Skye","A Terminal Iron(IV) Nitride Supported by a Super Bulky Guanidinate Ligand and Examination of Its Electronic Structure and Reactivity.","Journal of the American Chemical Society","2017","","","","","10.1021/jacs.7b06919","","","0.71073","MoKα","","0.0625","0.0488","","","0.1447","0.1545","","","","","","1.078","","","","has coordinates,has disorder","202216","2020-10-21","18:00:00",""
"4126614","18.029","0.0015","18.8827","0.0016","22.8543","0.0019","90","","90.569","0.002","90","","7780","1.1","100","2","100","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C96 H98 Fe N6 -","- C96 H98 Fe N6 -","- C384 H392 Fe4 N24 -","4","1","","Maity, Arnab K.; Murillo, Jesse; Metta-Magaña, Alejandro J; Pinter, Balazs; Fortier, Skye","A Terminal Iron(IV) Nitride Supported by a Super Bulky Guanidinate Ligand and Examination of Its Electronic Structure and Reactivity.","Journal of the American Chemical Society","2017","","","","","10.1021/jacs.7b06919","","","0.71073","MoKα","","0.1312","0.0548","","","0.106","0.1393","","","","","","1.01","","","","has coordinates","202217","2020-10-21","18:00:00",""
"4126615","26.5236","0.0009","14.0703","0.0005","23.6909","0.0008","90","","105.893","0.001","90","","8503.4","0.5","100","2","100","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C101 H117 Fe N5 O2 Si -","- C101 H117 Fe N5 O2 Si -","- C404 H468 Fe4 N20 O8 Si4 -","4","1","","Maity, Arnab K.; Murillo, Jesse; Metta-Magaña, Alejandro J; Pinter, Balazs; Fortier, Skye","A Terminal Iron(IV) Nitride Supported by a Super Bulky Guanidinate Ligand and Examination of Its Electronic Structure and Reactivity.","Journal of the American Chemical Society","2017","","","","","10.1021/jacs.7b06919","","","0.71073","MoKα","","0.088","0.058","","","0.1646","0.1857","","","","","","1.14","","","","has coordinates,has disorder","202218","2020-10-21","18:00:00",""
"4126616","19.4206","0.0018","13.6823","0.0013","28.826","0.003","90","","99.078","0.002","90","","7563.7","1.3","100","2","100","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C93 H95 Fe N7 -","- C93 H95 Fe N7 -","- C372 H380 Fe4 N28 -","4","1","","Maity, Arnab K.; Murillo, Jesse; Metta-Magaña, Alejandro J; Pinter, Balazs; Fortier, Skye","A Terminal Iron(IV) Nitride Supported by a Super Bulky Guanidinate Ligand and Examination of Its Electronic Structure and Reactivity.","Journal of the American Chemical Society","2017","","","","","10.1021/jacs.7b06919","","","0.71073","MoKα","","0.1875","0.0786","","","0.1673","0.2351","","","","","","0.951","","","","has coordinates,has disorder","202219","2020-10-21","18:00:00",""
"4126617","10.6719","0.001","10.7538","0.0009","16.3248","0.0016","91.269","0.003","91.242","0.004","104.316","0.003","1814.2","0.3","100","2","100","2","","","","","","","","6","P -1","-P 1","2","","","","- C38 H60 B Fe N2 P3 -","- C38 H60 B Fe N2 P3 -","- C76 H120 B2 Fe2 N4 P6 -","2","1","","Thompson, Niklas B.; Green, Michael T.; Peters, Jonas C.","Nitrogen Fixation via a Terminal Fe(IV) Nitride.","Journal of the American Chemical Society","2017","","","","","10.1021/jacs.7b09364","","","0.71073","MoKα","","0.0712","0.0591","","","0.1509","0.1587","","","","","","1.04","","","","has coordinates,has disorder","202220","2020-10-21","18:00:00",""
"4126618","10.8053","0.0004","14.9993","0.0005","24.4155","0.0009","90","","92.474","0.001","90","","3953.4","0.2","100","2","100","2","","","","","","","","8","P 1 21/c 1","-P 2ybc","14","","","","- C37 H54 B F3 Fe O3 P3 S -","- C37 H54 B F3 Fe O3 P3 S -","- C148 H216 B4 F12 Fe4 O12 P12 S4 -","4","1","","Thompson, Niklas B.; Green, Michael T.; Peters, Jonas C.","Nitrogen Fixation via a Terminal Fe(IV) Nitride.","Journal of the American Chemical Society","2017","","","","","10.1021/jacs.7b09364","","","0.71073","MoKα","","0.0503","0.0354","","","0.079","0.0844","","","","","","1.042","","","","has coordinates","202220","2020-10-21","18:00:00",""
"4126619","22.246","0.004","20.4","0.004","23.835","0.005","90","","90","","90","","10817","4","100","2","100","2","","","","","","","","6","P b c a","-P 2ac 2ab","61","","","","- C55 H72 F3 N7 O3 S -","- C55 H72 F3 N7 O3 S -","- C440 H576 F24 N56 O24 S8 -","8","1","","Back, Jisu; Park, Junbeom; Kim, Youngsuk; Kang, Haneol; Kim, Yonghwi; Park, Moon Jeong; Kim, Kimoon; Lee, Eunsung","Triazenyl Radicals Stabilized by N-Heterocyclic Carbenes.","Journal of the American Chemical Society","2017","","","","","10.1021/jacs.7b08753","","","0.66002","synchrotron","","0.1128","0.0907","","","0.2728","0.2886","","","","","","1.067","","","","has coordinates","202221","2020-10-21","18:00:00",""
"4126620","23.316","0.005","19.506","0.004","21.187","0.004","90","","114.64","0.03","90","","8758","4","100","","100","","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C44 H51 Cl N8 -","- C44 H51 Cl N8 -","- C352 H408 Cl8 N64 -","8","1","","Back, Jisu; Park, Junbeom; Kim, Youngsuk; Kang, Haneol; Kim, Yonghwi; Park, Moon Jeong; Kim, Kimoon; Lee, Eunsung","Triazenyl Radicals Stabilized by N-Heterocyclic Carbenes.","Journal of the American Chemical Society","2017","","","","","10.1021/jacs.7b08753","","","0.7","synchrotron","","0.0762","0.0615","","","0.1754","0.1874","","","","","","1.066","","","","has coordinates","202222","2020-10-21","18:00:00",""
"4126621","12.52","0.003","27.19","0.005","14.38","0.003","90","","92.42","0.03","90","","4890.9","1.8","100","","100","","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","","","- C54 H73 N7 -","- C54 H73 N7 -","- C216 H292 N28 -","4","1","","Back, Jisu; Park, Junbeom; Kim, Youngsuk; Kang, Haneol; Kim, Yonghwi; Park, Moon Jeong; Kim, Kimoon; Lee, Eunsung","Triazenyl Radicals Stabilized by N-Heterocyclic Carbenes.","Journal of the American Chemical Society","2017","","","","","10.1021/jacs.7b08753","","","0.7","synchrotron","","0.1685","0.0568","","","0.1133","0.1484","","","","","","0.874","","","","has coordinates,has disorder","202223","2020-10-21","18:00:00",""
"4126622","12.821","0.003","28.197","0.006","13.549","0.003","90","","93.77","0.03","90","","4887.6","1.9","100","2","100.15","","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","","","- C54 H72 N7 -","- C54 H72 N7 -","- C216 H288 N28 -","4","1","","Back, Jisu; Park, Junbeom; Kim, Youngsuk; Kang, Haneol; Kim, Yonghwi; Park, Moon Jeong; Kim, Kimoon; Lee, Eunsung","Triazenyl Radicals Stabilized by N-Heterocyclic Carbenes.","Journal of the American Chemical Society","2017","","","","","10.1021/jacs.7b08753","","","0.7","synchrotron","","0.1073","0.0559","","","0.133","0.157","","","","","","0.933","","","","has coordinates,has disorder","202224","2020-10-21","18:00:00",""
"4126623","42.91","0.009","8.597","0.0017","21.633","0.004","90","","114.51","0.03","90","","7261","3","100","2","100","2","","","","","","","","3","C 1 2/c 1","-C 2yc","15","","","","- C42 H48 N7 -","- C42 H48 N7 -","- C336 H384 N56 -","8","1","","Back, Jisu; Park, Junbeom; Kim, Youngsuk; Kang, Haneol; Kim, Yonghwi; Park, Moon Jeong; Kim, Kimoon; Lee, Eunsung","Triazenyl Radicals Stabilized by N-Heterocyclic Carbenes.","Journal of the American Chemical Society","2017","","","","","10.1021/jacs.7b08753","","","0.7","synchrotron","","0.0878","0.0548","","","0.1396","0.1562","","","","","","1.034","","","","has coordinates","202225","2020-10-21","18:00:00",""
"4126624","12.473","0.002","32.135","0.006","25.904","0.005","90","","96.21","0.03","90","","10322","3","100","","100","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C54 H72 Cl N7 -","- C54 H72 Cl N7 -","- C432 H576 Cl8 N56 -","8","2","","Back, Jisu; Park, Junbeom; Kim, Youngsuk; Kang, Haneol; Kim, Yonghwi; Park, Moon Jeong; Kim, Kimoon; Lee, Eunsung","Triazenyl Radicals Stabilized by N-Heterocyclic Carbenes.","Journal of the American Chemical Society","2017","","","","","10.1021/jacs.7b08753","","","0.7","synchrotron","","0.1446","0.0836","","","0.2271","0.2663","","","","","","1.047","","","","has coordinates","202226","2020-10-21","18:00:00",""
"4126625","10.3762","0.0005","9.8211","0.0004","13.1712","0.0006","90","","96.17","0.003","90","","1334.45","0.1","200","2","200","2","","","","","","","","7","P 1 21 1","P 2yb","4","","","","- C23 H23 Cl N4 O10 P Ru -","- C23 H23 Cl N4 O10 P Ru -","- C46 H46 Cl2 N8 O20 P2 Ru2 -","2","1","","Shaffer, David W.; Xie, Yan; Szalda, David J.; Concepcion, Javier J.","Lability and Basicity of Bipyridine-Carboxylate-Phosphonate Ligand Accelerate Single-Site Water Oxidation by Ruthenium-Based Molecular Catalysts.","Journal of the American Chemical Society","2017","","","","","10.1021/jacs.7b06096","","","0.71073","MoKα","","0.1246","0.0598","","","0.072","0.0828","","","","","","0.894","","","","has coordinates","202251","2020-10-21","18:00:00",""
"4126626","11.0051","0.0005","12.0135","0.0005","13.5167","0.0006","91.283","0.003","104.321","0.003","116.898","0.002","1525.42","0.12","200","2","200","2","","","","","","","","6","P -1","-P 1","2","","","","- C29 H32 N4 O11 P Ru -","- C29 H28 N4 O11 P Ru -","- C58 H56 N8 O22 P2 Ru2 -","2","1","","Shaffer, David W.; Xie, Yan; Szalda, David J.; Concepcion, Javier J.","Lability and Basicity of Bipyridine-Carboxylate-Phosphonate Ligand Accelerate Single-Site Water Oxidation by Ruthenium-Based Molecular Catalysts.","Journal of the American Chemical Society","2017","","","","","10.1021/jacs.7b06096","","","0.71073","MoKα","","0.1127","0.057","","","0.1063","0.1206","","","","","","1.001","","","","has coordinates","202252","2020-10-21","18:00:00",""
"4126627","12.7272","0.0004","9.0183","0.0003","13.532","0.0004","90","","104.603","0.001","90","","1503","0.08","100","2","100","2","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C36 H28 Cl N O5 S -","- C36 H28 Cl N O5 S -","- C72 H56 Cl2 N2 O10 S2 -","2","1","","Rong, Zi-Qiang; Yang, Li-Cheng; Liu, Song; Yu, Zhaoyuan; Wang, Ya-Nong; Tan, Zher Yin; Huang, Rui-Zhi; Lan, Yu; Zhao, Yu","Nine-Membered Benzofuran-Fused Heterocycles: Enantioselective Synthesis by Pd-Catalysis and Rearrangement via Transannular Bond Formation.","Journal of the American Chemical Society","2017","","","","","10.1021/jacs.7b09161","","","1.54178","CuKα","","0.044","0.0436","","","0.1176","0.1181","","","","","","1.037","","","","has coordinates,has disorder","202273","2020-10-21","18:00:00",""
"4126628","14.7304","0.0004","18.4422","0.0005","21.3432","0.0006","90","","90","","90","","5798.1","0.3","100","2","100","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C68 H64 N2 O9 S2 -","- C68 H64 N2 O9 S2 -","- C272 H256 N8 O36 S8 -","4","1","","Rong, Zi-Qiang; Yang, Li-Cheng; Liu, Song; Yu, Zhaoyuan; Wang, Ya-Nong; Tan, Zher Yin; Huang, Rui-Zhi; Lan, Yu; Zhao, Yu","Nine-Membered Benzofuran-Fused Heterocycles: Enantioselective Synthesis by Pd-Catalysis and Rearrangement via Transannular Bond Formation.","Journal of the American Chemical Society","2017","","","","","10.1021/jacs.7b09161","","","1.54178","CuKα","","0.0497","0.0477","","","0.1237","0.1249","","","","","","1.125","","","","has coordinates,has disorder","202274","2020-10-21","18:00:00",""
"4126629","9.7883","0.0011","10.7643","0.0011","27.458","0.003","90","","90","","90","","2893.1","0.5","100","2","100","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C36 H28 Cl N O4 S -","- C36 H28 Cl N O4 S -","- C144 H112 Cl4 N4 O16 S4 -","4","1","","Rong, Zi-Qiang; Yang, Li-Cheng; Liu, Song; Yu, Zhaoyuan; Wang, Ya-Nong; Tan, Zher Yin; Huang, Rui-Zhi; Lan, Yu; Zhao, Yu","Nine-Membered Benzofuran-Fused Heterocycles: Enantioselective Synthesis by Pd-Catalysis and Rearrangement via Transannular Bond Formation.","Journal of the American Chemical Society","2017","","","","","10.1021/jacs.7b09161","","","0.71073","MoKα","","0.0776","0.0481","","","0.0822","0.0902","","","","","","1.025","","","","has coordinates","202275","2020-10-21","18:00:00",""
"4126630","8.1378","0.0004","12.5793","0.0006","12.7814","0.0006","94.224","0.003","98.277","0.003","92.505","0.004","1289.3","0.11","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","","","- C32 H27 N O4 S -","- C32 H27 N O4 S -","- C64 H54 N2 O8 S2 -","2","1","","Rong, Zi-Qiang; Yang, Li-Cheng; Liu, Song; Yu, Zhaoyuan; Wang, Ya-Nong; Tan, Zher Yin; Huang, Rui-Zhi; Lan, Yu; Zhao, Yu","Nine-Membered Benzofuran-Fused Heterocycles: Enantioselective Synthesis by Pd-Catalysis and Rearrangement via Transannular Bond Formation.","Journal of the American Chemical Society","2017","","","","","10.1021/jacs.7b09161","","","1.54178","CuKα","","0.0877","0.0488","","","0.0955","0.107","","","","","","1.04","","","","has coordinates","202276","2020-10-21","18:00:00",""
"4126631","11.5856","0.0005","9.1759","0.0004","14.3288","0.0006","90","","101.879","0.001","90","","1490.65","0.11","100","2","100","2","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C36 H28 Cl N O5 S -","- C36 H28 Cl N O5 S -","- C72 H56 Cl2 N2 O10 S2 -","2","1","","Rong, Zi-Qiang; Yang, Li-Cheng; Liu, Song; Yu, Zhaoyuan; Wang, Ya-Nong; Tan, Zher Yin; Huang, Rui-Zhi; Lan, Yu; Zhao, Yu","Nine-Membered Benzofuran-Fused Heterocycles: Enantioselective Synthesis by Pd-Catalysis and Rearrangement via Transannular Bond Formation.","Journal of the American Chemical Society","2017","","","","","10.1021/jacs.7b09161","","","1.54178","CuKα","","0.0236","0.0235","","","0.0645","0.0646","","","","","","1.102","","","","has coordinates","202277","2020-10-21","18:00:00",""
"4126632","12.6104","0.0007","26.6968","0.0013","45.345","0.002","90","","90","","90","","15265.7","1.3","293.15","","293.15","","","","","","","","","3","F d d d","-F 2uv 2vw","70","","","","- C66 H84 O12 -","- C66 H84 O12 -","- C528 H672 O96 -","8","","","Jie, Kecheng; Zhou, Yujuan; Li, Errui; Li, Zhengtao; Zhao, Run; Huang, Feihe","Reversible Iodine Capture by Non-Porous Pillar[6]arene Crystals.","Journal of the American Chemical Society","2017","","","","","10.1021/jacs.7b09850","","","0.71073","MoKα","","0.1033","0.073","","","0.2207","0.2544","","","","","","1.038","","","","has coordinates","202278","2020-10-21","18:00:00",""
"4126633","10.4135","0.0005","13.1885","0.0006","13.7554","0.0007","106.47","0.002","103.657","0.002","110.715","0.002","1570.83","0.14","173","","173","","","","","","","","","4","P -1","-P 1","2","","","","- C66 H84 I2 O12 -","- C66 H84 I2 O12 -","- C66 H84 I2 O12 -","1","0.5","","Jie, Kecheng; Zhou, Yujuan; Li, Errui; Li, Zhengtao; Zhao, Run; Huang, Feihe","Reversible Iodine Capture by Non-Porous Pillar[6]arene Crystals.","Journal of the American Chemical Society","2017","","","","","10.1021/jacs.7b09850","","","1.54178","CuKα","","0.0346","0.032","","","0.0763","0.0779","","","","","","1.07","","","","has coordinates","202279","2020-10-21","18:00:00",""
"4126634","19.425","0.004","18.198","0.004","8.8148","0.0018","90","","90","","90","","3116","1.1","290","2","290","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C12 H16 Cl3 N O2 -","- C12 H16 Cl2.999 N O2 -","- C96 H128 Cl23.992 N8 O16 -","8","1","","Sun, Zhihua; Li, Jian; Ji, Chengmin; Sun, Junliang; Hong, Maochun; Luo, Junhua","Unusual Long-Range Ordering Incommensurate Structural Modulations in an Organic Molecular Ferroelectric.","Journal of the American Chemical Society","2017","","","","","10.1021/jacs.7b08950","","","0.71073","MoKα","","0.0808","0.0721","","","0.1763","0.1836","","","","","","1.081","","","","has coordinates,has disorder","202280","2020-10-21","18:00:00",""
"4126635","19.3641","0.0006","18.099","0.0006","8.7904","0.0002","90","","90","","90","","3080.78","0.16","240","2","240","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C12 H16 Cl3 N O2 -","- C12 H16 Cl3.001 N O2 -","- C96 H128 Cl24.008 N8 O16 -","8","1","","Sun, Zhihua; Li, Jian; Ji, Chengmin; Sun, Junliang; Hong, Maochun; Luo, Junhua","Unusual Long-Range Ordering Incommensurate Structural Modulations in an Organic Molecular Ferroelectric.","Journal of the American Chemical Society","2017","","","","","10.1021/jacs.7b08950","","","0.71073","MoKα","","0.0781","0.0621","","","0.1389","0.1521","","","","","","1.061","","","","has coordinates,has disorder","202280","2020-10-21","18:00:00",""
"4126636","19.243","0.0007","17.9355","0.0007","8.7459","0.0003","90","","90","","90","","3018.5","0.19","190","2","190","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C12 H16 Cl3 N O2 -","- C12 H16 Cl2.99 N O2 -","- C96 H128 Cl23.92 N8 O16 -","8","1","","Sun, Zhihua; Li, Jian; Ji, Chengmin; Sun, Junliang; Hong, Maochun; Luo, Junhua","Unusual Long-Range Ordering Incommensurate Structural Modulations in an Organic Molecular Ferroelectric.","Journal of the American Chemical Society","2017","","","","","10.1021/jacs.7b08950","","","0.71073","MoKα","","0.074","0.0618","","","0.1297","0.1377","","","","","","1.045","","","","has coordinates,has disorder","202280","2020-10-21","18:00:00",""
"4126637","19.1923","0.0006","17.8181","0.0004","8.7142","0.0002","90","","90","","90","","2980","0.13","100","2","100","2","","","","","","","","5","P b 21 a","P -2a -2ab","29","","","","- C12 H16 Cl3 N O2 -","- C12 H16 Cl3 N O2 -","- C96 H128 Cl24 N8 O16 -","8","2","","Sun, Zhihua; Li, Jian; Ji, Chengmin; Sun, Junliang; Hong, Maochun; Luo, Junhua","Unusual Long-Range Ordering Incommensurate Structural Modulations in an Organic Molecular Ferroelectric.","Journal of the American Chemical Society","2017","","","","","10.1021/jacs.7b08950","","","0.71073","MoKα","","0.0357","0.0325","","","0.0734","0.0756","","","","","","1.03","","","","has coordinates","202280","2020-10-21","18:00:00",""
"4126638","30.7121","0.0003","30.7121","0.0003","35.4811","0.0004","90","","90","","120","","28983.2","0.5","293","","293","","","","","","","","","2","R -3","-R 3","148","","","","- C88 H48 -","- C88 H48 -","- C1584 H864 -","18","","","Berezhnaia, Veronika; Roy, Myriam; Vanthuyne, Nicolas; Villa, Marco; Naubron, Jean-Valère; Rodriguez, Jean; Coquerel, Yoann; Gingras, Marc","A Chiral Nanographene Propeller Embedding Six Enantiomerically Stable [5]Helicene Units.","Journal of the American Chemical Society","2017","","","","","10.1021/jacs.7b07622","","x-ray","1.54184","CuKα","","0.0526","0.0491","","","0.1454","0.1484","","","","","","1.076","","","","has coordinates","202301","2020-10-21","18:00:00",""
"4126639","12.267","0.002","8.42","0.0014","26.875","0.004","90","","101.588","0.003","90","","2719.3","0.8","90","0.1","90","0.1","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C27 H26 Cl2 F N O9 -","- C27 H26 Cl2 F N O9 -","- C108 H104 Cl8 F4 N4 O36 -","4","2","","Duo, Tianmeng; Robinson, Kyle; Greig, Ian R.; Chen, Hong-Ming; Patrick, Brian O.; Withers, Stephen G.","Remarkable Reactivity Differences between Glucosides with Identical Leaving Groups.","Journal of the American Chemical Society","2017","","","","","10.1021/jacs.7b09645","","","0.71073","MoKα","","0.0483","0.0362","","","0.0719","0.0754","","","","","","1.006","","","","has coordinates","202302","2020-10-21","18:00:00",""
"4126640","21.556","0.006","6.8458","0.0017","21.251","0.008","90","","118.661","0.005","90","","2751.7","1.5","90","0.1","90","0.1","","","","","","","","6","C 1 2 1","C 2y","5","","","","- C27 H26.5 Cl2 F N O9.25 -","- C27 H26.414 Cl2 F N O9.207 -","- C108 H105.656 Cl8 F4 N4 O36.828 -","4","1","","Duo, Tianmeng; Robinson, Kyle; Greig, Ian R.; Chen, Hong-Ming; Patrick, Brian O.; Withers, Stephen G.","Remarkable Reactivity Differences between Glucosides with Identical Leaving Groups.","Journal of the American Chemical Society","2017","","","","","10.1021/jacs.7b09645","","","0.71073","MoKα","","0.0355","0.0297","","","0.0692","0.0732","","","","","","1.029","","","","has coordinates,has disorder","202302","2020-10-21","18:00:00",""
"4126641","20.6012","0.0007","20.6012","0.0007","6.8939","0.0003","90","","90","","120","","2533.85","0.16","100","2","100","2","","","","","","","","5","P 32 2 1","P 32 2""","154","Zn2(dobpdc)(dach-CO2)2","","","- C28 H34 N4 O10 Zn2 -","- C28 H34 N4 O10 Zn2 -","- C84 H102 N12 O30 Zn6 -","3","0.5","","Martell, Jeffrey D.; Porter-Zasada, Leo B; Forse, Alexander C.; Siegelman, Rebecca L.; Gonzalez, Miguel I.; Oktawiec, Julia; Runcevski, Tomce; Xu, Jiawei; Srebro-Hooper, Monika; Milner, Phillip J.; Colwell, Kristen A.; Autschbach, Jochen; Reimer, Jeffrey A.; Long, Jeffrey R.","Enantioselective Recognition of Ammonium Carbamates in a Chiral Metal-Organic Framework.","Journal of the American Chemical Society","2017","","","","","10.1021/jacs.7b09983","","","0.8856","synchrotron","","0.0617","0.0566","","","0.1377","0.1401","","","","","","1.182","","","","has coordinates,has disorder","202303","2020-10-21","18:00:00",""
"4126642","12.5961","0.0012","15.6929","0.0016","16.3566","0.0017","78.446","0.003","84.586","0.003","88.562","0.003","3153.5","0.5","100","2","100","","","","","","","","","3","P 1","P 1","1","","","","- C70 H96 N2 -","- C70 H96 N2 -","- C140 H192 N4 -","2","2","","Hansmann, Max M.; Melaimi, Mohand; Bertrand, Guy","A Crystalline Monomeric Allenyl/Propargyl Radical.","Journal of the American Chemical Society","2017","","","","","10.1021/jacs.7b09622","","x-ray","0.71073","MoKα","","0.1402","0.1063","","","0.2914","0.3244","","","","","","1.299","","","","has coordinates,has disorder","202304","2020-10-21","18:00:00",""
"4126643","13.4623","0.0005","23.1356","0.0007","14.0612","0.0005","90","","94.923","0.002","90","","4363.3","0.3","100","","100","","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C43 H50 F6 N Sb -","- C43 H50 F6 N Sb -","- C172 H200 F24 N4 Sb4 -","4","1","","Hansmann, Max M.; Melaimi, Mohand; Bertrand, Guy","A Crystalline Monomeric Allenyl/Propargyl Radical.","Journal of the American Chemical Society","2017","","","","","10.1021/jacs.7b09622","","x-ray","0.71073","MoKα","","0.1268","0.0914","","","0.1839","0.1962","","","","","","1.168","","","","has coordinates,has disorder","202305","2020-10-21","18:00:00",""
"4126644","9.2489","0.0004","11.658","0.0006","17.0457","0.0008","72.626","0.001","83.811","0.001","77.388","0.002","1709.96","0.14","100","","100","","","","","","","","","3","P -1","-P 1","2","","","","- C43 H50 N -","- C43 H50 N -","- C86 H100 N2 -","2","1","","Hansmann, Max M.; Melaimi, Mohand; Bertrand, Guy","A Crystalline Monomeric Allenyl/Propargyl Radical.","Journal of the American Chemical Society","2017","","","","","10.1021/jacs.7b09622","","x-ray","1.54178","CuKα","","0.0421","0.0399","","","0.1023","0.1046","","","","","","1.033","","","","has coordinates","202306","2020-10-21","18:00:00",""
"4126645","9.3348","0.0005","10.9124","0.0005","17.2615","0.0008","86.599","0.002","75.345","0.002","75.325","0.002","1645.62","0.14","100","","100","","","","","","","","","4","P -1","-P 1","2","","","","- C40 H50 Co N -","- C40 H50 Co N -","- C80 H100 Co2 N2 -","2","1","","Hansmann, Max M.; Melaimi, Mohand; Bertrand, Guy","A Crystalline Monomeric Allenyl/Propargyl Radical.","Journal of the American Chemical Society","2017","","","","","10.1021/jacs.7b09622","","x-ray","1.54178","CuKα","K-L~3~","0.0302","0.0297","","","0.0817","0.0821","","","","","","1.055","","","","has coordinates,has disorder","202307","2020-10-21","18:00:00",""
"4126646","11.34","0.003","12.577","0.004","18.802","0.005","78.37","0.02","81.016","0.019","75.52","0.02","2527.3","1.3","100","","100","","","","","","","","","3","P -1","-P 1","2","","","","- C60 H80 N2 -","- C60 H80 N2 -","- C120 H160 N4 -","2","1","","Hansmann, Max M.; Melaimi, Mohand; Bertrand, Guy","A Crystalline Monomeric Allenyl/Propargyl Radical.","Journal of the American Chemical Society","2017","","","","","10.1021/jacs.7b09622","","x-ray","1.54178","CuKα","K-L~3~","0.0793","0.0687","","","0.1543","0.1583","","","","","","1.183","","","","has coordinates,has disorder","202308","2020-10-21","18:00:00",""
"4126647","11.1422","0.0003","15.1771","0.0004","17.5455","0.0005","90","","96.155","0.002","90","","2949.95","0.14","100","","100","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C30 H40 F6 N Sb -","- C30 H40 F6 N Sb -","- C120 H160 F24 N4 Sb4 -","4","1","","Hansmann, Max M.; Melaimi, Mohand; Bertrand, Guy","A Crystalline Monomeric Allenyl/Propargyl Radical.","Journal of the American Chemical Society","2017","","","","","10.1021/jacs.7b09622","","x-ray","0.71073","MoKα","K-L~3~","0.0308","0.0237","","","0.0522","0.0552","","","","","","1.021","","","","has coordinates","202309","2020-10-21","18:00:00",""
"4126648","3.8979","0.0001","3.8979","0.0001","29.8291","0.0013","90","","90","","90","","453.21","0.03","100","","100","","","","","","","","","5","I 4/m m m","-I 4 2","139","","","","- Bi8 Cl0.64 Cu3.46 O8 Se5.36 -","- Bi8 Cl0.64 Cu3.456 O8 Se5.36 -","- Bi8 Cl0.64 Cu3.456 O8 Se5.36 -","1","0.03125","","Gibson, Quinn D.; Dyer, Matthew S.; Whitehead, George F. S.; Alaria, Jonathan; Pitcher, Michael J.; Edwards, Holly J.; Claridge, John B.; Zanella, Marco; Dawson, Karl; Manning, Troy D.; Dhanak, Vin R.; Rosseinsky, Matthew J.","Bi4O4Cu1.7Se2.7Cl0.3: Intergrowth of BiOCuSe and Bi2O2Se Stabilized by the Addition of a Third Anion.","Journal of the American Chemical Society","2017","","","","","10.1021/jacs.7b06168","","x-ray","0.71073","MoKα","","0.0324","0.0291","","","0.0759","0.0783","","","","","","1.174","","","","has coordinates,has disorder","202353","2020-10-21","18:00:00",""
"4126649","21.3567","0.0006","12.1209","0.0003","34.9719","0.0011","90","","93.131","0.003","90","","9039.4","0.4","100.01","0.1","100.01","0.1","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C42 H63 B2 K2 N O12 -","- C42 H63 B2 K2 N O12 -","- C336 H504 B16 K16 N8 O96 -","8","1","","Wei, Haipeng; Liu, Yulan; Gopalakrishna, Tullimilli Y.; Phan, Hoa; Huang, Xiaobo; Bao, Lipiao; Guo, Jing; Zhou, Jun; Luo, Shenglian; Wu, Jishan; Zeng, Zebing","B-N-B Bond Embedded Phenalenyl and Its Anions.","Journal of the American Chemical Society","2017","","","","","10.1021/jacs.7b07375","","x-ray","1.54184","CuKα","","0.0917","0.0853","","","0.229","0.2361","","","","","","1.047","","","","has coordinates","202379","2020-10-21","18:00:00",""
"4126650","12.294","0.003","18.073","0.003","9.414","0.002","90","","111.761","0.007","90","","1942.6","0.7","293","2","293","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C24 H20 B2 F N -","- C24 H20 B2 F N -","- C96 H80 B8 F4 N4 -","4","0.5","","Wei, Haipeng; Liu, Yulan; Gopalakrishna, Tullimilli Y.; Phan, Hoa; Huang, Xiaobo; Bao, Lipiao; Guo, Jing; Zhou, Jun; Luo, Shenglian; Wu, Jishan; Zeng, Zebing","B-N-B Bond Embedded Phenalenyl and Its Anions.","Journal of the American Chemical Society","2017","","","","","10.1021/jacs.7b07375","","","0.71073","MoKα","","0.0735","0.0468","","","0.1142","0.1286","","","","","","1.021","","","","has coordinates","202380","2020-10-21","18:00:00",""
"4126651","12.212","0.002","17.691","0.004","9.3962","0.0013","90","","112.471","0.002","90","","1875.8","0.6","130","","130","","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C24 H21 B2 N -","- C24 H21 B2 N -","- C96 H84 B8 N4 -","4","0.5","","Wei, Haipeng; Liu, Yulan; Gopalakrishna, Tullimilli Y.; Phan, Hoa; Huang, Xiaobo; Bao, Lipiao; Guo, Jing; Zhou, Jun; Luo, Shenglian; Wu, Jishan; Zeng, Zebing","B-N-B Bond Embedded Phenalenyl and Its Anions.","Journal of the American Chemical Society","2017","","","","","10.1021/jacs.7b07375","","","0.71073","MoKα","","0.0564","0.047","","","0.1425","0.154","","","","","","1.146","","","","has coordinates","202381","2020-10-21","18:00:00",""
"4126652","26.891","0.002","20.864","0.002","21.661","0.002","90","","113.626","0.002","90","","11134.3","1.7","130","2","130","","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C52 H77 B2 K2 N O13 -","- C52 H77 B2 K2 N O13 -","- C416 H616 B16 K16 N8 O104 -","8","1","","Wei, Haipeng; Liu, Yulan; Gopalakrishna, Tullimilli Y.; Phan, Hoa; Huang, Xiaobo; Bao, Lipiao; Guo, Jing; Zhou, Jun; Luo, Shenglian; Wu, Jishan; Zeng, Zebing","B-N-B Bond Embedded Phenalenyl and Its Anions.","Journal of the American Chemical Society","2017","","","","","10.1021/jacs.7b07375","","","0.71073","MoKα","","0.121","0.0681","","","0.1624","0.2016","","","","","","1.029","","","","has coordinates","202382","2020-10-21","18:00:00",""
"4126653","16.9073","0.001","28.4712","0.0018","13.7433","0.0008","90","","111.174","0.002","90","","6169","0.6","100","2","100","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C63 H96 Li2 N2 O4 Si2 -","- C63 H96 Li2 N2 O4 Si2 -","- C252 H384 Li8 N8 O16 Si8 -","4","1","","Ji, Lei; Friedrich, Alexandra; Krummenacher, Ivo; Eichhorn, Antonius; Braunschweig, Holger; Moos, Michael; Hahn, Sebastian; Geyer, Florian L.; Tverskoy, Olena; Han, Jie; Lambert, Christoph; Dreuw, Andreas; Marder, Todd B.; Bunz, Uwe H. F.","Preparation, Properties, and Structures of the Radical Anions and Dianions of Azapentacenes.","Journal of the American Chemical Society","2017","","","","","10.1021/jacs.7b09460","","","0.71073","MoKα","","0.0843","0.0647","","","0.1684","0.1821","","","","","","1.054","","","","has coordinates,has disorder","202383","2020-10-21","18:00:00",""
"4126654","11.36","0.007","12.649","0.008","14.052","0.009","79.07","0.03","76.04","0.02","64.377","0.017","1758.4","1.9","100","2","100","2","","","","","","","","6","P -1","-P 1","2","","","","- C70 H108 K N2 O10 Si2 -","- C70 H108 K N2 O10 Si2 -","- C70 H108 K N2 O10 Si2 -","1","0.5","","Ji, Lei; Friedrich, Alexandra; Krummenacher, Ivo; Eichhorn, Antonius; Braunschweig, Holger; Moos, Michael; Hahn, Sebastian; Geyer, Florian L.; Tverskoy, Olena; Han, Jie; Lambert, Christoph; Dreuw, Andreas; Marder, Todd B.; Bunz, Uwe H. F.","Preparation, Properties, and Structures of the Radical Anions and Dianions of Azapentacenes.","Journal of the American Chemical Society","2017","","","","","10.1021/jacs.7b09460","","","0.71073","MoKα","","0.055","0.0374","","","0.0879","0.0966","","","","","","1.023","","","","has coordinates,has disorder","202383","2020-10-21","18:00:00",""
"4126655","15.139","0.004","17.386","0.003","15.866","0.004","90","","113.466","0.008","90","","3830.7","1.6","100","2","100","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C74 H116 K2 N2 O14 Si2 -","- C74 H116 K2 N2 O14 Si2 -","- C148 H232 K4 N4 O28 Si4 -","2","0.5","","Ji, Lei; Friedrich, Alexandra; Krummenacher, Ivo; Eichhorn, Antonius; Braunschweig, Holger; Moos, Michael; Hahn, Sebastian; Geyer, Florian L.; Tverskoy, Olena; Han, Jie; Lambert, Christoph; Dreuw, Andreas; Marder, Todd B.; Bunz, Uwe H. F.","Preparation, Properties, and Structures of the Radical Anions and Dianions of Azapentacenes.","Journal of the American Chemical Society","2017","","","","","10.1021/jacs.7b09460","","","0.71073","MoKα","","0.0455","0.0372","","","0.0927","0.0973","","","","","","1.059","","","","has coordinates,has disorder","202383","2020-10-21","18:00:00",""
"4126656","20.974","0.014","11.896","0.009","27.54","0.02","90","","104.7","0.03","90","","6646","8","100","2","100","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C64 H98 K N4 O9 Si2 -","- C64 H98 K N4 O9 Si2 -","- C256 H392 K4 N16 O36 Si8 -","4","1","","Ji, Lei; Friedrich, Alexandra; Krummenacher, Ivo; Eichhorn, Antonius; Braunschweig, Holger; Moos, Michael; Hahn, Sebastian; Geyer, Florian L.; Tverskoy, Olena; Han, Jie; Lambert, Christoph; Dreuw, Andreas; Marder, Todd B.; Bunz, Uwe H. F.","Preparation, Properties, and Structures of the Radical Anions and Dianions of Azapentacenes.","Journal of the American Chemical Society","2017","","","","","10.1021/jacs.7b09460","","","0.71073","MoKα","","0.0912","0.0511","","","0.1044","0.1188","","","","","","1.012","","","","has coordinates,has disorder","202383","2020-10-21","18:00:00",""
"4126657","13.2873","0.001","16.8057","0.0011","28.318","0.002","90","","99.119","0.003","90","","6243.6","0.8","150","2","150","2","","","","","","","","7","P 1 21 1","P 2yb","4","PhCBA+diene complex","","","- C123 H83 B2 F48 N4 P2 Rh -","- C123 H83 B2 F48 N4 P2 Rh -","- C246 H166 B4 F96 N8 P4 Rh2 -","2","1","","Marcum, Justin S.; Roberts, Courtney C.; Manan, Rajith S.; Cervarich, Tia N.; Meek, Simon J.","Chiral Pincer Carbodicarbene Ligands for Enantioselective Rhodium-Catalyzed Hydroarylation of Terminal and Internal 1,3-Dienes with Indoles.","Journal of the American Chemical Society","2017","","","","","10.1021/jacs.7b08575","","","0.71073","MoKα","","0.0555","0.045","","","0.1069","0.1125","","","","","","1.058","","","","has coordinates,has disorder","202384","2020-10-21","18:00:00",""
"4126658","9.1331","0.0009","16.6578","0.0017","22.867","0.002","90","","93.543","0.005","90","","3472.3","0.6","100","","100","","","","","","","","","8","P 1 21/n 1","-P 2yn","14","","","","- C17 H29 Cl Co2 N7 Na O21.19 P2 -","- C17 H29 Cl Co2 N7 Na O21.194 P2 -","- C68 H116 Cl4 Co8 N28 Na4 O84.776 P8 -","4","1","","Thorarinsdottir, Agnes E.; Du, Kang; Collins, James H. P.; Harris, T. David","Ratiometric pH Imaging with a Co(II)2 MRI Probe via CEST Effects of Opposing pH Dependences.","Journal of the American Chemical Society","2017","","","","","10.1021/jacs.7b08574","","","0.71073","MoKα","","0.0479","0.0448","","","0.1177","0.1198","","","","","","1.07","","","","has coordinates,has disorder","202414","2020-10-21","18:00:00",""
"4126659","9.1253","0.0009","16.6143","0.0015","23.152","0.002","90","","94.827","0.005","90","","3497.6","0.6","100","","100","","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C18 H28 Co2 N7 Na O20.8 P2 -","- C18 H28 Co2 N7 Na O20.8 P2 -","- C72 H112 Co8 N28 Na4 O83.2 P8 -","4","1","","Thorarinsdottir, Agnes E.; Du, Kang; Collins, James H. P.; Harris, T. David","Ratiometric pH Imaging with a Co(II)2 MRI Probe via CEST Effects of Opposing pH Dependences.","Journal of the American Chemical Society","2017","","","","","10.1021/jacs.7b08574","","","0.71073","MoKα","","0.1302","0.129","","","0.3824","0.3852","","","","","","1.933","","","","has coordinates,has disorder","202415","2020-10-21","18:00:00",""
"4126660","32.766","0.007","19.797","0.004","55.404","0.011","90","","95.9","0.04","90","","35748","13","293","2","293","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C94.5 H105.5 Cl4.5 N4 O8 -","- C94.5 H105.5 Cl4.5 N4 O8 -","- C1512 H1688 Cl72 N64 O128 -","16","2","","Gao, Guangpeng; Liang, Ningning; Geng, Hua; Jiang, Wei; Fu, Huiting; Feng, Jiajing; Hou, Jianhui; Feng, Xinliang; Wang, Zhaohui","Spiro-Fused Perylene Diimide Arrays.","Journal of the American Chemical Society","2017","","","","","10.1021/jacs.7b09140","","","0.71073","MoKα","","0.174","0.1616","","","0.4565","0.4774","","","","","","2.314","","","","has coordinates","202416","2020-10-21","18:00:00",""
"4126661","17.901","0.001","15.9347","0.0009","36.362","0.002","90","","93.276","0.002","90","","10355.2","1","150","2","150","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C150 H168 Mn31 N2 O84 -","- C150 H168 Mn31 N2 O84 -","- C300 H336 Mn62 N4 O168 -","2","0.5","","Abbasi, Parisa; Quinn, Kevan; Alexandropoulos, Dimitris I.; Damjanović, Marko; Wernsdorfer, Wolfgang; Escuer, Albert; Mayans, Julia; Pilkington, Melanie; Stamatatos, Theocharis C.","Transition Metal Single-Molecule Magnets: A {Mn31} Nano-sized Cluster with a Large Energy Barrier of ~60 K and Magnetic Hysteresis at ~5 K.","Journal of the American Chemical Society","2017","","","","","10.1021/jacs.7b10130","","","0.71073","MoKα","","0.1239","0.0896","","","0.2436","0.2759","","","","","","1.133","","","","has coordinates","202449","2020-10-21","18:00:00",""
"4126662","12.007","0.003","12.007","0.003","6.4662","0.0017","90","","90","","120","","807.3","0.4","93","","93","","","","","","","","","3","P 31","P 31","144","","","","- C10 H16 O4 -","- C10 H16 O4 -","- C30 H48 O12 -","3","1","","Hashimoto, Satoshi; Katoh, Shun-Ichiro; Kato, Takehiro; Urabe, Daisuke; Inoue, Masayuki","Total Synthesis of Resiniferatoxin Enabled by Radical-Mediated Three-Component Coupling and 7-endo Cyclization.","Journal of the American Chemical Society","2017","","","","","10.1021/jacs.7b10177","","","0.71075","MoKα","","","0.03","","","","0.0881","","","","","","1.004","","","","has coordinates","202482","2020-10-21","18:00:00",""
"4126663","15.2695","0.00018","19.6342","0.0002","12.6839","0.00014","90","","90","","90","","3802.69","0.07","100","","100","","","","","","","","","3","P 21 21 2","P 2 2ab","18","","","","- C19 H28 O5 -","- C19 H28 O5 -","- C152 H224 O40 -","8","2","","Hashimoto, Satoshi; Katoh, Shun-Ichiro; Kato, Takehiro; Urabe, Daisuke; Inoue, Masayuki","Total Synthesis of Resiniferatoxin Enabled by Radical-Mediated Three-Component Coupling and 7-endo Cyclization.","Journal of the American Chemical Society","2017","","","","","10.1021/jacs.7b10177","","","1.54184","CuKα","","0.0396","0.0367","","","0.0941","0.098","","","","","","1.056","","","","has coordinates","202483","2020-10-21","18:00:00",""
"4126664","32.5048","0.0004","32.5048","0.0004","13.0046","0.0002","90","","90","","120","","11899.3","0.3","93","","93","","","","","","","","","3","R -3 m :H","-R 3 2""","166","","","","- C210 H222 O6 -","- C210 H222 O6 -","- C630 H666 O18 -","3","0.0833333","","Ube, Hitoshi; Yamada, Ryo; Ishida, Jun-Ichi; Sato, Hiroyasu; Shiro, Motoo; Shionoya, Mitsuhiko","A Circularly Arranged Sextuple Triptycene Gear Molecule.","Journal of the American Chemical Society","2017","","","","","10.1021/jacs.7b09439","","","1.54187","CuKα","","0.1119","0.1081","","","0.3436","0.3545","","","","","","1.756","","","","has coordinates,has disorder","202484","2020-10-21","18:00:00",""
"4126665","12.0669","0.0015","17.883","0.002","26.759","0.003","90","","90","","90","","5774.4","1.2","100","2","100","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C94 H36 N2 O S4 -","- C94 H36 N2 O S4 -","- C376 H144 N8 O4 S16 -","4","1","","Hashikawa, Yoshifumi; Murata, Michihisa; Wakamiya, Atsushi; Murata, Yasujiro","Palladium-Catalyzed Cyclization: Regioselectivity and Structure of Arene-Fused C60 Derivatives.","Journal of the American Chemical Society","2017","","","","","10.1021/jacs.7b09459","","","0.71073","MoKα","","0.1131","0.06","","","0.149","0.1911","","","","","","1.064","","","","has coordinates","202485","2020-10-21","18:00:00",""
"4126666","10.7378","0.0006","24.2061","0.0015","19.2129","0.0012","90","","104.9","0.0008","90","","4825.9","0.5","100","2","100","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C82.75 H26 N2 O2 S1.5 -","- C82.75 H26 N2 O2 S1.5 -","- C331 H104 N8 O8 S6 -","4","1","","Hashikawa, Yoshifumi; Murata, Michihisa; Wakamiya, Atsushi; Murata, Yasujiro","Palladium-Catalyzed Cyclization: Regioselectivity and Structure of Arene-Fused C60 Derivatives.","Journal of the American Chemical Society","2017","","","","","10.1021/jacs.7b09459","","","0.71073","MoKα","","0.0725","0.0613","","","0.1631","0.1752","","","","","","1.075","","","","has coordinates,has disorder","202486","2020-10-21","18:00:00",""
"4126667","11.7973","0.0008","16.8078","0.0011","14.2706","0.0009","90","","94.0714","0.0009","90","","2822.5","0.3","100","2","100","2","","","","","","","","3","P 1 21/m 1","-P 2yb","11","","","","- C48 H21 N -","- C48 H21 N -","- C192 H84 N4 -","4","1","","Hashikawa, Yoshifumi; Murata, Michihisa; Wakamiya, Atsushi; Murata, Yasujiro","Palladium-Catalyzed Cyclization: Regioselectivity and Structure of Arene-Fused C60 Derivatives.","Journal of the American Chemical Society","2017","","","","","10.1021/jacs.7b09459","","","0.71073","MoKα","","0.0557","0.0487","","","0.1256","0.136","","","","","","1.102","","","","has coordinates,has disorder","202487","2020-10-21","18:00:00",""
"4126668","10.8066","0.0012","23.95","0.003","19.315","0.002","90","","105.861","0.0018","90","","4808.7","0.9","100","2","100","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C85 H29 N2 O2 -","- C85 H29 N2 O2 -","- C340 H116 N8 O8 -","4","1","","Hashikawa, Yoshifumi; Murata, Michihisa; Wakamiya, Atsushi; Murata, Yasujiro","Palladium-Catalyzed Cyclization: Regioselectivity and Structure of Arene-Fused C60 Derivatives.","Journal of the American Chemical Society","2017","","","","","10.1021/jacs.7b09459","","","0.71073","MoKα","","0.1505","0.0663","","","0.1334","0.1718","","","","","","1.026","","","","has coordinates,has disorder","202488","2020-10-21","18:00:00",""
"4126669","26.0154","0.0006","7.2638","0.0002","12.3046","0.0003","90","","94.652","0.002","90","","2317.55","0.1","160","2","160","2","","","","","","","","4","C 1 2 1","C 2y","5","","(3R,4aR,5R,6R)-3-((S)-but-3-en-2-yl)-6-((tert-butyldimethylsilyl)oxy)- 3-hydroxy-4a,5-dimethyl-4,4a,5,6,7,8-hexahydronaphthalen-2(3H)-one","","- C22 H38 O3 Si -","- C22 H38 O3 Si -","- C88 H152 O12 Si4 -","4","1","","Liffert, Raphael; Linden, Anthony; Gademann, Karl","Total Synthesis of the Sesquiterpenoid Periconianone A Based on a Postulated Biogenesis.","Journal of the American Chemical Society","2017","","","","","10.1021/jacs.7b10053","","","1.54184","CuKα","","0.0537","0.0398","","","0.1056","0.1105","","","","","","1.069","","","","has coordinates,has disorder","202524","2020-10-21","18:00:00",""
"4126670","25.2644","0.0006","7.33538","0.00018","12.3638","0.0003","90","","94.354","0.002","90","","2284.7","0.1","160","2","160","2","","","","","","","","4","C 1 2 1","C 2y","5","","(3R,4aR,5R,6R)-3-((R)-but-3-en-2-yl)-6-((tert-butyldimethylsilyl)oxy)- 3-hydroxy-4a,5-dimethyl-4,4a,5,6,7,8-hexahydronaphthalen-2(3H)-one","","- C22 H38 O3 Si -","- C22 H38 O3 Si -","- C88 H152 O12 Si4 -","4","1","","Liffert, Raphael; Linden, Anthony; Gademann, Karl","Total Synthesis of the Sesquiterpenoid Periconianone A Based on a Postulated Biogenesis.","Journal of the American Chemical Society","2017","","","","","10.1021/jacs.7b10053","","x-ray","1.54184","CuKα","","0.0475","0.044","","","0.1191","0.1229","","","","","","1.029","","","","has coordinates,has disorder","202524","2020-10-21","18:00:00",""
"4126671","13.1087","0.0004","13.885","0.0005","16.7103","0.0006","96.342","0.003","92.163","0.003","96.751","0.003","2997.97","0.18","150","2","150","0.1","","","","","","","","8","P -1","-P 1","2","","","","- C62 H59 Al B F20 P Ru S -","- C62 H59 Al B F20 P Ru S -","- C124 H118 Al2 B2 F40 P2 Ru2 S2 -","2","1","","Forster, Francis; Metsanen, Toni T.; Irran, Elisabeth; Hrobarik, Peter; Oestreich, Martin","Cooperative Al-H Bond Activation in DIBAL-H: Catalytic Generation of an Alumenium-Ion-Like Lewis Acid for Hydrodefluorinative Friedel-Crafts Alkylation.","Journal of the American Chemical Society","2017","","","","","10.1021/jacs.7b09444","","x-ray","1.54184","CuKα","","0.052","0.04","","","0.0952","0.1052","","","","","","1.033","","","","has coordinates,has disorder","202560","2020-10-21","18:00:00",""
"4126672","12.6837","0.0004","16.9732","0.0004","18.0405","0.0005","95.332","0.002","99.221","0.003","104.606","0.003","3673.41","0.19","150","2","150","0.1","","","","","","","","8","P -1","-P 1","2","","","","- C80 H82 Al B F21 P Ru S -","- C80 H82 Al B F21 P Ru S -","- C160 H164 Al2 B2 F42 P2 Ru2 S2 -","2","1","","Forster, Francis; Metsanen, Toni T.; Irran, Elisabeth; Hrobarik, Peter; Oestreich, Martin","Cooperative Al-H Bond Activation in DIBAL-H: Catalytic Generation of an Alumenium-Ion-Like Lewis Acid for Hydrodefluorinative Friedel-Crafts Alkylation.","Journal of the American Chemical Society","2017","","","","","10.1021/jacs.7b09444","","x-ray","1.54184","CuKα","","0.0766","0.0643","","","0.192","0.1996","","","","","","1.082","","","","has coordinates","202560","2020-10-21","18:00:00",""
"4126673","23.578","0.004","15.289","0.003","24.926","0.005","90","","97.152","0.002","90","","8916","3","100","2","100","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","Gd9","","","- C44 H120 Gd9 N15 O52 -","- C44 H120 Gd9 N15 O52 -","- C176 H480 Gd36 N60 O208 -","4","1","","Qin, Lei; Zhou, Guojun; Yu, You-Zhu; Nojiri, Hiroyuki; Schröder, Christian; Winpenny, Richard E. P.; Zheng, Yan-Zhen","Topological Self-Assembly of Highly-Symmetric Lanthanide Clusters: A Magnetic Study of Exchange-Coupling ""Fingerprints"" in Giant Gadolinium(III) Cages.","Journal of the American Chemical Society","2017","","","","","10.1021/jacs.7b09996","","","0.71073","MoKα","","0.0961","0.0685","","","0.1335","0.152","","","","","","1.162","","","","has coordinates","202561","2020-10-21","18:00:00",""
"4126674","20.23","0.002","30.537","0.003","28.675","0.003","90","","90","","90","","17714","3","100","2","100","2","","","","","","","","5","C 2 2 21","C 2c 2","20","Gd15","","","- C50 H130 Cl Gd15 O70 -","- C50 H130 Cl Gd15 O70 -","- C200 H520 Cl4 Gd60 O280 -","4","0.5","","Qin, Lei; Zhou, Guojun; Yu, You-Zhu; Nojiri, Hiroyuki; Schröder, Christian; Winpenny, Richard E. P.; Zheng, Yan-Zhen","Topological Self-Assembly of Highly-Symmetric Lanthanide Clusters: A Magnetic Study of Exchange-Coupling ""Fingerprints"" in Giant Gadolinium(III) Cages.","Journal of the American Chemical Society","2017","","","","","10.1021/jacs.7b09996","","","0.71073","MoKα","","0.0647","0.0554","","","0.1481","0.1563","","","","","","1.09","","","","has coordinates","202561","2020-10-21","18:00:00",""
"4126675","21.2461","0.0011","21.2461","0.0011","52.718","0.005","90","","90","","120","","20609","2","100","2","100","2","","","","","","","","6","R -3 :H","-R 3","148","Gd20","","","- C170 H102 Cl30 Gd20 N36 O101 -","- C170 H102 Cl30 Gd20 N36 O101 -","- C510 H306 Cl90 Gd60 N108 O303 -","3","0.166667","","Qin, Lei; Zhou, Guojun; Yu, You-Zhu; Nojiri, Hiroyuki; Schröder, Christian; Winpenny, Richard E. P.; Zheng, Yan-Zhen","Topological Self-Assembly of Highly-Symmetric Lanthanide Clusters: A Magnetic Study of Exchange-Coupling ""Fingerprints"" in Giant Gadolinium(III) Cages.","Journal of the American Chemical Society","2017","","","","","10.1021/jacs.7b09996","","","0.71073","MoKα","","0.0469","0.0363","","","0.113","0.1198","","","","","","1.077","","","","has coordinates","202561","2020-10-21","18:00:00",""
"4126676","19.4129","0.0007","19.4129","0.0007","19.4129","0.0007","90","","90","","90","","7316","0.5","100","2","100","2","","","","","","","","5","P m -3","-P 2 2 3","200","Gd32","","","- C72 H168 Gd32 N24 O156 -","- C72 H168 Gd32 N24 O156 -","- C72 H168 Gd32 N24 O156 -","1","0.0416667","","Qin, Lei; Zhou, Guojun; Yu, You-Zhu; Nojiri, Hiroyuki; Schröder, Christian; Winpenny, Richard E. P.; Zheng, Yan-Zhen","Topological Self-Assembly of Highly-Symmetric Lanthanide Clusters: A Magnetic Study of Exchange-Coupling ""Fingerprints"" in Giant Gadolinium(III) Cages.","Journal of the American Chemical Society","2017","","","","","10.1021/jacs.7b09996","","","0.71073","MoKα","","0.1398","0.1075","","","0.225","0.2546","","","","","","1.113","","","","has coordinates","202561","2020-10-21","18:00:00",""
"4126677","24.503","0.002","25.028","0.002","42.535","0.003","90.571","0.001","103.56","0.001","108.229","0.001","23987","3","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","","","- C312 H704 Cl76 Gd100 O616 -","- C312 H704 Cl76 Gd100 O616 -","- C312 H704 Cl76 Gd100 O616 -","1","0.5","","Qin, Lei; Zhou, Guojun; Yu, You-Zhu; Nojiri, Hiroyuki; Schröder, Christian; Winpenny, Richard E. P.; Zheng, Yan-Zhen","Topological Self-Assembly of Highly-Symmetric Lanthanide Clusters: A Magnetic Study of Exchange-Coupling ""Fingerprints"" in Giant Gadolinium(III) Cages.","Journal of the American Chemical Society","2017","","","","","10.1021/jacs.7b09996","","","0.71073","MoKα","","0.0998","0.0663","","","0.1715","0.1958","","","","","","1.053","","","","has coordinates","202561","2020-10-21","18:00:00",""
"4126678","29.532","0.0003","29.532","0.0003","26.7755","0.0007","90","","90","","90","","23352","0.7","100","2","100","2","","","","","","","","5","P 4/n","-P 4a","85","","","","- C148 H364 Gd60 N8 O264 -","- C148 H364 Gd60 N8 O264 -","- C296 H728 Gd120 N16 O528 -","2","","","Qin, Lei; Zhou, Guojun; Yu, You-Zhu; Nojiri, Hiroyuki; Schröder, Christian; Winpenny, Richard E. P.; Zheng, Yan-Zhen","Topological Self-Assembly of Highly-Symmetric Lanthanide Clusters: A Magnetic Study of Exchange-Coupling ""Fingerprints"" in Giant Gadolinium(III) Cages.","Journal of the American Chemical Society","2017","","","","","10.1021/jacs.7b09996","","","0.71073","MoKα","","0.1431","0.1084","","","0.1974","0.2137","","","","","","0.999","","","","has coordinates,has disorder","202561","2020-10-21","18:00:00",""
"4126679","10.9331","0.0007","12.8305","0.0008","14.1647","0.0008","106.347","0.003","90.868","0.003","97.639","0.004","1886.8","0.2","100","2","100","2","","","","","","","","8","P -1","-P 1","2","SIA-VI-113","hartwig140","","- C46 H41 F2 Fe N O2 P2 Pd -","- C46 H41 F2 Fe N O2 P2 Pd -","- C92 H82 F4 Fe2 N2 O4 P4 Pd2 -","2","1","","Arlow, Sophie I.; Hartwig, John F.","Synthesis, Characterization, and Reactivity of Palladium Fluoroenolate Complexes.","Journal of the American Chemical Society","2017","","","","","10.1021/jacs.7b09949","","","0.71073","MoKα","","0.0511","0.0391","","","0.098","0.1048","","","","","","1.039","","","","has coordinates","204147","2020-10-21","18:00:00",""
"4126680","10.918","0.0006","32.2289","0.0019","11.2271","0.0007","90","","113.106","0.001","90","","3633.6","0.4","100","2","100","2","","","","","","","","9","P 1 21/n 1","-P 2yn","14","SIA-92","hartwig131","","- C39 H35 Br Cl2 F2 Fe O2 P2 Pd -","- C39 H35 Br Cl2 F2 Fe O2 P2 Pd -","- C156 H140 Br4 Cl8 F8 Fe4 O8 P8 Pd4 -","4","1","","Arlow, Sophie I.; Hartwig, John F.","Synthesis, Characterization, and Reactivity of Palladium Fluoroenolate Complexes.","Journal of the American Chemical Society","2017","","","","","10.1021/jacs.7b09949","","","0.71073","MoKα","","0.0695","0.0659","","","0.1664","0.169","","","","","","1.064","","","","has coordinates,has disorder","204147","2020-10-21","18:00:00",""
"4126681","11.2279","0.0004","18.1228","0.0006","19.9202","0.0007","99.664","0.001","103.879","0.002","100.633","0.001","3770.7","0.2","100","2","100","2","","","","","","","","7","P -1","-P 1","2","SIA-VI-210","hartwig143","","- C44.5 H39 F2 Fe N P2 Pd -","- C44.5 H39 F2 Fe N P2 Pd -","- C178 H156 F8 Fe4 N4 P8 Pd4 -","4","2","","Arlow, Sophie I.; Hartwig, John F.","Synthesis, Characterization, and Reactivity of Palladium Fluoroenolate Complexes.","Journal of the American Chemical Society","2017","","","","","10.1021/jacs.7b09949","","","0.71073","MoKα","","0.0538","0.0374","","","0.0852","0.0944","","","","","","1.041","","","","has coordinates","251896","2020-10-21","18:00:00",""
"4126682","43.7168","0.0017","11.0409","0.0004","17.2876","0.0007","90","","112.599","0.002","90","","7703.6","0.5","100","2","100","2","","","","","","","","7","C 1 2/c 1","-C 2yc","15","SIA-VI-191","hartwig139","","- C92 H88 F2 Fe2 O5 P4 Pd2 -","- C92 H88 F2 Fe2 O5 P4 Pd2 -","- C368 H352 F8 Fe8 O20 P16 Pd8 -","4","0.5","","Arlow, Sophie I.; Hartwig, John F.","Synthesis, Characterization, and Reactivity of Palladium Fluoroenolate Complexes.","Journal of the American Chemical Society","2017","","","","","10.1021/jacs.7b09949","","","0.71073","MoKα","","0.0338","0.03","","","0.0658","0.0681","","","","","","1.089","","","","has coordinates,has disorder","204147","2020-10-21","18:00:00",""
"4126683","15.9427","0.0005","16.2365","0.0006","19.4196","0.0008","90","","114.063","0.001","90","","4590","0.3","100","2","100","2","","","","","","","","8","P 1 21/n 1","-P 2yn","14","SIA-110-B","hartwig136","","- C46 H42 Cl2 F2 Fe O2 P2 Pd -","- C46 H42 Cl2 F2 Fe O2 P2 Pd -","- C184 H168 Cl8 F8 Fe4 O8 P8 Pd4 -","4","1","","Arlow, Sophie I.; Hartwig, John F.","Synthesis, Characterization, and Reactivity of Palladium Fluoroenolate Complexes.","Journal of the American Chemical Society","2017","","","","","10.1021/jacs.7b09949","","","0.71073","MoKα","","0.0687","0.0398","","","0.0841","0.0954","","","","","","1.026","","","","has coordinates","204147","2020-10-21","18:00:00",""
"4126684","18.049","0.001","10.5004","0.0006","23.227","0.0012","90","","109.977","0.001","90","","4137.2","0.4","100","2","100","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","SA-V237","hartwig114","","- C43 H37 Br F2 O3 P2 Pd -","- C43 H37 Br F2 O3 P2 Pd -","- C172 H148 Br4 F8 O12 P8 Pd4 -","4","1","","Arlow, Sophie I.; Hartwig, John F.","Synthesis, Characterization, and Reactivity of Palladium Fluoroenolate Complexes.","Journal of the American Chemical Society","2017","","","","","10.1021/jacs.7b09949","","","0.71073","MoKα","","0.0367","0.0298","","","0.0681","0.0724","","","","","","1.09","","","","has coordinates","204147","2020-10-21","18:00:00",""
"4126685","17.6477","0.0019","5.882","0.0007","17.6454","0.0016","90","","91.238","0.008","90","","1831.2","0.3","133","2","133","2","","","","","","","","2","C 1 2/c 1","-C 2yc","15","","","","- C26 H22 -","- C26 H22 -","- C104 H88 -","4","0.5","","Zhang, Haoke; Zheng, Xiaoyan; Xie, Ni; He, Zikai; Liu, Junkai; Leung, Nelson L. C.; Niu, Yingli; Huang, Xuhui; Wong, Kam Sing; Kwok, Ryan T. K.; Sung, Herman H. Y.; Williams, Ian D.; Qin, Anjun; Lam, Jacky W. Y.; Tang, Ben Zhong","Why do simple molecules with ""isolated"" phenyl rings emit visible light?","Journal of the American Chemical Society","2017","","","","","10.1021/jacs.7b08592","","","1.54178","CuKα","","0.0576","0.0541","","","0.1467","0.1506","","","","","","1.015","","","","has coordinates,has disorder","202568","2020-10-21","18:00:00",""
"4126686","5.1628","0.0004","7.1504","0.0004","21.1147","0.0015","87.481","0.005","88.173","0.006","70.205","0.006","732.58","0.09","99.94","0.18","99.94","0.18","","","","","","","","2","P -1","-P 1","2","","","","- C19 H24 -","- C19 H24 -","- C38 H48 -","2","1","","Zhang, Haoke; Zheng, Xiaoyan; Xie, Ni; He, Zikai; Liu, Junkai; Leung, Nelson L. C.; Niu, Yingli; Huang, Xuhui; Wong, Kam Sing; Kwok, Ryan T. K.; Sung, Herman H. Y.; Williams, Ian D.; Qin, Anjun; Lam, Jacky W. Y.; Tang, Ben Zhong","Why do simple molecules with ""isolated"" phenyl rings emit visible light?","Journal of the American Chemical Society","2017","","","","","10.1021/jacs.7b08592","","x-ray","0.71073","MoKα","","0.047","0.041","","","0.1141","0.1188","","","","","","1.001","","","","has coordinates","202569","2020-10-21","18:00:00",""
"4126687","21.442","0.002","7.168","0.0006","19.93","0.003","90","","93.547","0.011","90","","3057.3","0.6","100","0.1","100","0.1","","","","","","","","2","P 1 2/c 1","-P 2yc","13","","","","- C38 H46 -","- C38 H46 -","- C152 H184 -","4","1","","Zhang, Haoke; Zheng, Xiaoyan; Xie, Ni; He, Zikai; Liu, Junkai; Leung, Nelson L. C.; Niu, Yingli; Huang, Xuhui; Wong, Kam Sing; Kwok, Ryan T. K.; Sung, Herman H. Y.; Williams, Ian D.; Qin, Anjun; Lam, Jacky W. Y.; Tang, Ben Zhong","Why do simple molecules with ""isolated"" phenyl rings emit visible light?","Journal of the American Chemical Society","2017","","","","","10.1021/jacs.7b08592","","x-ray","0.71073","MoKα","","0.1292","0.0596","","","0.0959","0.1164","","","","","","1.001","","","","has coordinates","202570","2020-10-21","18:00:00",""
"4126688","6.0618","0.0003","18.1122","0.001","16.8821","0.001","90","","92.091","0.003","90","","1852.29","0.18","100","","100","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","Methyl 4-(1-oxo-4-phenyl-1-(pyrrolidin-1-yl)butan-2-yl)tetrahydro- 2H-pyran-4-carboxylate","","- C21 H29 N O4 -","- C21 H29 N O4 -","- C84 H116 N4 O16 -","4","1","","Kaiser, Daniel; Teskey, Christopher J.; Adler, Pauline; Maulide, Nuno","Chemoselective Intermolecular Cross-Enolate-Type Coupling of Amides","Journal of the American Chemical Society","2017","","","","","10.1021/jacs.7b08813","","x-ray","0.71073","MoKα","","0.0604","0.0429","","","0.1048","0.1149","","","","","","1.068","","","","has coordinates,has disorder","202571","2020-10-21","18:00:00",""
"4126689","17.8604","0.0014","5.8441","0.0005","17.27","0.0014","90","","104.184","0.003","90","","1747.7","0.2","100","","100","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","(R*)-1-methyl-3-((S*)-1-oxo-4-phenyl-1-(pyrrolidin-1-yl) butan-2-yl)piperidin-2-one","","- C20 H28 N2 O2 -","- C20 H28 N2 O2 -","- C80 H112 N8 O8 -","4","1","","Kaiser, Daniel; Teskey, Christopher J.; Adler, Pauline; Maulide, Nuno","Chemoselective Intermolecular Cross-Enolate-Type Coupling of Amides","Journal of the American Chemical Society","2017","","","","","10.1021/jacs.7b08813","","x-ray","0.71073","MoKα","","0.049","0.0407","","","0.1071","0.1128","","","","","","1.051","","","","has coordinates","202572","2020-10-21","18:00:00",""
"4126690","10.7915","0.0009","18.6255","0.0015","20.4579","0.0016","90","","90.824","0.001","90","","4111.6","0.6","100","2","100","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C47 H58 Mo N2 O -","- C47 H58 Mo N2 O -","- C188 H232 Mo4 N8 O4 -","4","1","","Townsend, Erik M.; Schrock, Richard R.; Hoveyda, Amir H.","Correction to “Z-Selective Metathesis Homocoupling of 1,3-Dienes by Molybdenum and Tungsten Monoaryloxide Pyrrolide (MAP) Complexes”","Journal of the American Chemical Society","2017","","","","","10.1021/jacs.7b11214","","","0.71073","MoKα","","0.0372","0.0291","","","0.0697","0.0749","","","","","","1.042","","","","has coordinates","202903","2020-10-21","18:00:00",""
"4126691","9.241","0.0017","10.377","0.002","11.494","0.002","103.354","0.005","91.074","0.005","105.323","0.005","1030.5","0.3","100","2","100","2","","","","","","","","7","P 1","P 1","1","","","","- C47 H54 Au Cl3 N O2 P -","- C47 H48 Au Cl3 N O2 P -","- C47 H48 Au Cl3 N O2 P -","1","1","","Wang, Zhixun; Nicolini, Corrado; Hervieu, Cedric; Wong, Yuk-Fai; Zanoni, Giuseppe; Zhang, Liming","Remote Cooperative Group Strategy Enables Ligands for Accelera-tive Asymmetric Gold Catalysis.","Journal of the American Chemical Society","2017","","","","","10.1021/jacs.7b09136","","","0.71073","MoKα","","0.0366","0.0353","","","0.0619","0.0625","","","","","","1.032","","","","has coordinates","202904","2020-10-21","18:00:00",""
"4126692","54.583","0.004","14.563","0.0012","25.285","0.002","90","","110.778","0.002","90","","18792","3","100","2","100","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C197 H252 N12 S8 Si4 -","- C197 H252 N12 S8 Si4 -","- C788 H1008 N48 S32 Si16 -","4","0.5","","Wang, Yuzhong; Hickox, Hunter P.; Xie, Yaoming; Wei, Pingrong; Schaefer, Henry F.; Robinson, Gregory H.","Facile Conversion of Bis-Silylene to Cyclic Silylene Isomers: Unexpected C-N and C-H Bond Cleavage.","Journal of the American Chemical Society","2017","","","","","10.1021/jacs.7b10325","","","0.71073","MoKα","","0.1544","0.0997","","","0.2247","0.2499","","","","","","1.094","","","","has coordinates,has disorder","202905","2020-10-21","18:00:00",""
"4126693","17.7211","0.0015","27.855","0.002","18.2418","0.0016","90","","92.844","0.003","90","","8993.4","1.3","100","2","100","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C95 H122 N6 S4 Si2 -","- C95 H122 N6 S4 Si2 -","- C380 H488 N24 S16 Si8 -","4","1","","Wang, Yuzhong; Hickox, Hunter P.; Xie, Yaoming; Wei, Pingrong; Schaefer, Henry F.; Robinson, Gregory H.","Facile Conversion of Bis-Silylene to Cyclic Silylene Isomers: Unexpected C-N and C-H Bond Cleavage.","Journal of the American Chemical Society","2017","","","","","10.1021/jacs.7b10325","","","0.71073","MoKα","","0.0859","0.0669","","","0.176","0.1883","","","","","","1.068","","","","has coordinates,has disorder","202906","2020-10-21","18:00:00",""
"4126694","33.97003","0.00008","33.97003","0.00008","33.97003","0.00008","90","","90","","90","","39200.2","0.16","273","2","273","2","","","","","","","","6","I 2 3","I 2 2 3","197","","","","- C147 H100.5 Cl N4.5 O36 Zr4 -","- C147 H100.5 Cl N4.5 O36 Zr3.9999 -","- C1176 H804 Cl8 N36 O288 Zr31.9992 -","8","0.333333","","He, Yan-Ping; Yuan, Lv-Bing; Chen, Guang-Hui; Lin, Qi-Pu; Wang, Fei; Zhang, Lei; Zhang, Jian","Water Soluble and Ultra-Stable Ti4L6 Tetrahedron with Coordination Assembly Function.","Journal of the American Chemical Society","2017","","","","","10.1021/jacs.7b09463","","","1.54178","CuKα","","0.0434","0.0399","","","0.1134","0.1167","","","","","","1.054","","","","has coordinates","202907","2020-10-21","18:00:00",""
"4126695","33.3817","0.0002","33.3817","0.0002","33.3817","0.0002","90","","90","","90","","37198.5","0.4","273","2","273","2","","","","","","","","6","I 2 3","I 2 2 3","197","","","","- C150 H103.5 Cl N4.5 O39 Ti4 -","- C150 H103.5 Cl N4.5 O39 Ti4 -","- C1200 H828 Cl8 N36 O312 Ti32 -","8","0.333333","","He, Yan-Ping; Yuan, Lv-Bing; Chen, Guang-Hui; Lin, Qi-Pu; Wang, Fei; Zhang, Lei; Zhang, Jian","Water Soluble and Ultra-Stable Ti4L6 Tetrahedron with Coordination Assembly Function.","Journal of the American Chemical Society","2017","","","","","10.1021/jacs.7b09463","","","1.54178","CuKα","","0.0596","0.0585","","","0.1684","0.1701","","","","","","1.068","","","","has coordinates","202908","2020-10-21","18:00:00",""
"4126696","29.3544","0.0004","20.5702","0.0004","35.6726","0.0006","90","","95.963","0.002","90","","21423.5","0.6","273","2","273","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C162 H130 Eu2 N8 O55 Ti4 -","- C162 H130 Eu2 N8 O55 Ti4 -","- C648 H520 Eu8 N32 O220 Ti16 -","4","0.5","","He, Yan-Ping; Yuan, Lv-Bing; Chen, Guang-Hui; Lin, Qi-Pu; Wang, Fei; Zhang, Lei; Zhang, Jian","Water Soluble and Ultra-Stable Ti4L6 Tetrahedron with Coordination Assembly Function.","Journal of the American Chemical Society","2017","","","","","10.1021/jacs.7b09463","","","1.54178","CuKα","","0.0944","0.0846","","","0.2359","0.2467","","","","","","1.02","","","","has coordinates","202909","2020-10-21","18:00:00",""
"4126697","22.2694","0.0005","30.5743","0.0007","58.7419","0.0016","90","","92.957","0.002","90","","39942.4","1.7","273","2","273","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C128 H66 N0 O49 Tb2 Ti4 -","- C128 H66 O49 Tb2 Ti4 -","- C1024 H528 O392 Tb16 Ti32 -","8","1","","He, Yan-Ping; Yuan, Lv-Bing; Chen, Guang-Hui; Lin, Qi-Pu; Wang, Fei; Zhang, Lei; Zhang, Jian","Water Soluble and Ultra-Stable Ti4L6 Tetrahedron with Coordination Assembly Function.","Journal of the American Chemical Society","2017","","","","","10.1021/jacs.7b09463","","","1.54178","CuKα","","0.1436","0.1158","","","0.3174","0.3397","","","","","","1.184","","","","has coordinates","202910","2020-10-21","18:00:00",""
"4126698","25.1468","0.0007","25.1468","0.0007","41.5163","0.0012","90","","90","","120","","22736","1.1","273","2","273","2","","","","","","","","6","P -3 c 1","-P 3 2""c","165","","","","- C147 H102 Co3 N3 O54 Ti4 -","- C147 H102 Co3 N3 O54 Ti4 -","- C588 H408 Co12 N12 O216 Ti16 -","4","0.333333","","He, Yan-Ping; Yuan, Lv-Bing; Chen, Guang-Hui; Lin, Qi-Pu; Wang, Fei; Zhang, Lei; Zhang, Jian","Water Soluble and Ultra-Stable Ti4L6 Tetrahedron with Coordination Assembly Function.","Journal of the American Chemical Society","2017","","","","","10.1021/jacs.7b09463","","","1.54178","CuKα","","0.107","0.0848","","","0.2561","0.274","","","","","","1.036","","","","has coordinates","202911","2020-10-21","18:00:00",""
"4126699","33.4281","0.0004","33.4281","0.0004","33.4281","0.0004","90","","90","","90","","37353.8","0.8","273","2","273","2","","","","","","","","6","I 2 3","I 2 2 3","197","","","","- C147 H100.5 Cl Hf4 N4.5 O36 -","- C147 H100.5 Cl Hf4 N4.5 O36 -","- C1176 H804 Cl8 Hf32 N36 O288 -","8","0.333333","","He, Yan-Ping; Yuan, Lv-Bing; Chen, Guang-Hui; Lin, Qi-Pu; Wang, Fei; Zhang, Lei; Zhang, Jian","Water Soluble and Ultra-Stable Ti4L6 Tetrahedron with Coordination Assembly Function.","Journal of the American Chemical Society","2017","","","","","10.1021/jacs.7b09463","","","0.71073","MoKα","","0.0398","0.0378","","","0.1147","0.1187","","","","","","1.097","","","","has coordinates","202912","2020-10-21","18:00:00",""
"4126700","26.0097","0.0002","26.0097","0.0002","26.0097","0.0002","90","","90","","90","","17595.7","0.2","273","2","273","2","","","","","","","","6","P 21 3","P 2ac 2ab 3","198","","","","- C138 H75 Eu N0 O39 Ti4 -","- C138 H75 Eu O39 Ti4 -","- C552 H300 Eu4 O156 Ti16 -","4","0.333333","","He, Yan-Ping; Yuan, Lv-Bing; Chen, Guang-Hui; Lin, Qi-Pu; Wang, Fei; Zhang, Lei; Zhang, Jian","Water Soluble and Ultra-Stable Ti4L6 Tetrahedron with Coordination Assembly Function.","Journal of the American Chemical Society","2017","","","","","10.1021/jacs.7b09463","","","0.71073","MoKα","","0.1053","0.0727","","","0.1863","0.1971","","","","","","1.031","","","","has coordinates","202914","2020-10-21","18:00:00",""
"4126701","38.4922","0.0007","41.1905","0.0006","50.5849","0.0007","90","","90","","90","","80203","2","273","2","273","2","","","","","","","","5","F d d d :2","-F 2uv 2vw","70","","","","- C148 H98 N4 O38 Ti4 -","- C148 H98 N4 O38 Ti4 -","- C2368 H1568 N64 O608 Ti64 -","16","0.5","","He, Yan-Ping; Yuan, Lv-Bing; Chen, Guang-Hui; Lin, Qi-Pu; Wang, Fei; Zhang, Lei; Zhang, Jian","Water Soluble and Ultra-Stable Ti4L6 Tetrahedron with Coordination Assembly Function.","Journal of the American Chemical Society","2017","","","","","10.1021/jacs.7b09463","","","1.54178","CuKα","","0.0906","0.067","","","0.1819","0.1992","","","","","","0.922","","","","has coordinates","268283","2021-08-30","06:31:22",""
"4126702","17.1871","0.0004","13.8483","0.0003","17.3512","0.0004","90","","111.488","0.002","90","","3842.75","0.16","133","2","133","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C39.5 H54 Br Cl N6 Ni2 -","- C39.5 H54 Br Cl N6 Ni2 -","- C158 H216 Br4 Cl4 N24 Ni8 -","4","1","","Manz, Dennis-Helmut; Duan, Peng-Cheng; Dechert, Sebastian; Demeshko, Serhiy; Oswald, Rainer; John, Michael; Mata, Ricardo A.; Meyer, Franc","Pairwise H2/D2 Exchange and H2 Substitution at a Bimetallic Dinickel(II) Complex Featuring Two Terminal Hydrides.","Journal of the American Chemical Society","2017","","","","","10.1021/jacs.7b08629","","","0.71073","MoKα","","0.0467","0.0355","","","0.087","0.0912","","","","","","1.031","","","","has coordinates,has disorder","202916","2020-10-21","18:00:00",""
"4126703","15.7726","0.0003","17.7079","0.0003","27.8404","0.0005","90","","98.879","0.001","90","","7682.6","0.2","133","2","133","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C39 H55 K N6 Ni2 -","- C39 H55 K N6 Ni2 -","- C312 H440 K8 N48 Ni16 -","8","2","","Manz, Dennis-Helmut; Duan, Peng-Cheng; Dechert, Sebastian; Demeshko, Serhiy; Oswald, Rainer; John, Michael; Mata, Ricardo A.; Meyer, Franc","Pairwise H2/D2 Exchange and H2 Substitution at a Bimetallic Dinickel(II) Complex Featuring Two Terminal Hydrides.","Journal of the American Chemical Society","2017","","","","","10.1021/jacs.7b08629","","","0.71073","MoKα","","0.046","0.0342","","","0.0795","0.0833","","","","","","1.004","","","","has coordinates,has disorder","202916","2020-10-21","18:00:00",""
"4126704","11.1496","0.0005","13.0401","0.0007","17.3856","0.0008","110.631","0.004","94.584","0.004","98.545","0.004","2315.3","0.2","133","2","133","2","","","","","","","","6","P -1","-P 1","2","","","","- C47 H71 N6 Na Ni2 O2 -","- C47 H71 N6 Na Ni2 O2 -","- C94 H142 N12 Na2 Ni4 O4 -","2","1","","Manz, Dennis-Helmut; Duan, Peng-Cheng; Dechert, Sebastian; Demeshko, Serhiy; Oswald, Rainer; John, Michael; Mata, Ricardo A.; Meyer, Franc","Pairwise H2/D2 Exchange and H2 Substitution at a Bimetallic Dinickel(II) Complex Featuring Two Terminal Hydrides.","Journal of the American Chemical Society","2017","","","","","10.1021/jacs.7b08629","","","0.71073","MoKα","","0.0491","0.0355","","","0.0854","0.0896","","","","","","0.991","","","","has coordinates","202916","2020-10-21","18:00:00",""
"4126705","26.6234","0.0004","23.4343","0.0003","23.2487","0.0003","90","","94.729","0.001","90","","14455.5","0.3","133","2","133","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C71 H105.58 K N6 Ni2 O9 -","- C71 H105.576 K N6 Ni2 O9 -","- C568 H844.608 K8 N48 Ni16 O72 -","8","1","","Manz, Dennis-Helmut; Duan, Peng-Cheng; Dechert, Sebastian; Demeshko, Serhiy; Oswald, Rainer; John, Michael; Mata, Ricardo A.; Meyer, Franc","Pairwise H2/D2 Exchange and H2 Substitution at a Bimetallic Dinickel(II) Complex Featuring Two Terminal Hydrides.","Journal of the American Chemical Society","2017","","","","","10.1021/jacs.7b08629","","","0.71073","MoKα","","0.0521","0.0402","","","0.095","0.102","","","","","","1.088","","","","has coordinates,has disorder","202916","2020-10-21","18:00:00",""
"4126706","12.1168","0.0003","12.6383","0.0003","40.8254","0.001","92.634","0.002","97.043","0.002","113.936","0.002","5639.4","0.3","133","2","133","2","","","","","","","","6","P -1","-P 1","2","","","","- C59 H83 K N6 Ni2 O3 -","- C59 H83 K N6 Ni2 O3 -","- C236 H332 K4 N24 Ni8 O12 -","4","2","","Manz, Dennis-Helmut; Duan, Peng-Cheng; Dechert, Sebastian; Demeshko, Serhiy; Oswald, Rainer; John, Michael; Mata, Ricardo A.; Meyer, Franc","Pairwise H2/D2 Exchange and H2 Substitution at a Bimetallic Dinickel(II) Complex Featuring Two Terminal Hydrides.","Journal of the American Chemical Society","2017","","","","","10.1021/jacs.7b08629","","","0.71073","MoKα","","0.059","0.0406","","","0.0954","0.1011","","","","","","1.021","","","","has coordinates,has disorder","202916","2020-10-21","18:00:00",""
"4126707","8.76752","0.00016","24.8251","0.0004","13.7094","0.0003","90","","103.145","0.002","90","","2905.73","0.1","103","2","103","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C31 H40 Cl2 N2 Ru -","- C31 H40 Cl2 N2 Ru -","- C124 H160 Cl8 N8 Ru4 -","4","1","","Engel, Julien; Smit, Wietse; Foscato, Marco; Occhipinti, Giovanni; Törnroos, Karl W; Jensen, Vidar R.","Loss and Reformation of Ruthenium Alkylidene: Connecting Olefin Metathesis, Catalyst Deactivation, Regeneration, and Isomerization.","Journal of the American Chemical Society","2017","","","","","10.1021/jacs.7b07694","","","0.6999","synchrotron,Si(111)","","0.0596","0.0483","","","0.1233","0.1303","","","","","","1.027","","","","has coordinates","202951","2020-10-21","18:00:00",""
"4126708","29.1059","0.0015","22.5991","0.001","25.324","0.0013","90","","121.121","0.009","90","","14259.9","1.8","173","2","173","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C63 H69 Li4 N3 O27 Ti2 -","- C63 H69 Li4 N3 O27 Ti2 -","- C504 H552 Li32 N24 O216 Ti16 -","8","1","","Van Craen, David; Rath, Wolfgang H.; Huth, Marina; Kemp, Laura; Räuber, Christoph; Wollschläger, Jan M; Schalley, Christoph A.; Valkonen, Arto; Rissanen, Kari; Albrecht, Markus","Chasing Weak Forces: Hierarchically Assembled Helicates as a Probe for the Evaluation of the Energetics of Weak Interactions.","Journal of the American Chemical Society","2017","","","","","10.1021/jacs.7b10098","","","1.54184","CuKα","","0.3142","0.126","","","0.3123","0.405","","","","","","1.063","","","","has coordinates,has disorder","203005","2020-10-21","18:00:00",""
"4126709","14.2867","0.0001","27.4625","0.0003","19.3402","0.0002","90","","95.607","0.001","90","","7551.79","0.13","120","2","120","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C72 H78 Li4 O27 Ti2 -","- C72 H78 Li4 O27 Ti2 -","- C288 H312 Li16 O108 Ti8 -","4","1","","Van Craen, David; Rath, Wolfgang H.; Huth, Marina; Kemp, Laura; Räuber, Christoph; Wollschläger, Jan M; Schalley, Christoph A.; Valkonen, Arto; Rissanen, Kari; Albrecht, Markus","Chasing Weak Forces: Hierarchically Assembled Helicates as a Probe for the Evaluation of the Energetics of Weak Interactions.","Journal of the American Chemical Society","2017","","","","","10.1021/jacs.7b10098","","","1.54184","CuKα","","0.0483","0.0414","","","0.108","0.113","","","","","","1.038","","","","has coordinates,has disorder","203006","2020-10-21","18:00:00",""
"4126710","20.8829","0.0008","24.6072","0.0004","31.9981","0.0006","90","","95.362","0.002","90","","16370.9","0.7","120","2","120","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C639.4 H781.8 Li28 O231 Ti16 -","- C639.4 H781.8 Li28 O231 Ti16 -","- C639.4 H781.8 Li28 O231 Ti16 -","1","0.25","","Van Craen, David; Rath, Wolfgang H.; Huth, Marina; Kemp, Laura; Räuber, Christoph; Wollschläger, Jan M; Schalley, Christoph A.; Valkonen, Arto; Rissanen, Kari; Albrecht, Markus","Chasing Weak Forces: Hierarchically Assembled Helicates as a Probe for the Evaluation of the Energetics of Weak Interactions.","Journal of the American Chemical Society","2017","","","","","10.1021/jacs.7b10098","","","0.71073","MoKα","","0.1244","0.0834","","","0.2084","0.2347","","","","","","1.068","","","","has coordinates,has disorder","203007","2020-10-21","18:00:00",""
"4126711","10.858","0.002","12.219","0.002","35.608","0.007","90","","90","","90","","4724.3","1.5","173","2","173","2","","","","","","","","8","P 21 21 21","P 2ac 2ab","19","{(Boryl)SmCl2(THF)2LiCl(THF)2}","","","- C42 H68 B Cl3 Li N2 O4 Sm -","- C42 H68 B Cl3 Li N2 O4 Sm -","- C168 H272 B4 Cl12 Li4 N8 O16 Sm4 -","4","1","","Wang, Baoli; Luo, Gen; Nishiura, Masayoshi; Luo, Yi; Hou, Zhaomin","Cooperative Trimerization of Carbon Monoxide by Lithium and Samarium Boryls.","Journal of the American Chemical Society","2017","","","","","10.1021/jacs.7b10108","","","0.71073","MoKα","","0.0476","0.0362","","","0.0708","0.0743","","","","","","1.077","","","","has coordinates,has disorder","203008","2020-10-21","18:00:00",""
"4126712","10.858","0.004","12.779","0.005","35.995","0.011","90","","90","","90","","4994","3","173","2","173","2","","","","","","","","8","P 21 21 21","P 2ac 2ab","19","{(Boryl)Sm[C(O)]Cl2(THF)2LiCl(THF)2}","","","- C43 H68 B Cl3 Li N2 O5 Sm -","- C43 H68 B Cl3 Li N2 O5 Sm -","- C172 H272 B4 Cl12 Li4 N8 O20 Sm4 -","4","1","","Wang, Baoli; Luo, Gen; Nishiura, Masayoshi; Luo, Yi; Hou, Zhaomin","Cooperative Trimerization of Carbon Monoxide by Lithium and Samarium Boryls.","Journal of the American Chemical Society","2017","","","","","10.1021/jacs.7b10108","","","0.71073","MoKα","","0.032","0.0308","","","0.0778","0.0783","","","","","","1.155","","","","has coordinates,has disorder","203008","2020-10-21","18:00:00",""
"4126713","13.02","0.0016","28.936","0.004","20.195","0.003","90","","92.81","0.005","90","","7599.3","1.8","173","2","173","2","","","","","","","","8","P 1 21/n 1","-P 2yn","14","{Cl2Sm[OC(Boryl)C(O)C(Boryl)]LiCl(THF)4}","","","- C75 H112 B2 Cl2 Li N4 O8 Sm -","- C75 H112 B2 Cl2 Li N4 O8 Sm -","- C300 H448 B8 Cl8 Li4 N16 O32 Sm4 -","4","1","","Wang, Baoli; Luo, Gen; Nishiura, Masayoshi; Luo, Yi; Hou, Zhaomin","Cooperative Trimerization of Carbon Monoxide by Lithium and Samarium Boryls.","Journal of the American Chemical Society","2017","","","","","10.1021/jacs.7b10108","","","0.71073","MoKα","","0.0474","0.0402","","","0.1061","0.1112","","","","","","1.079","","","","has coordinates,has disorder","203008","2020-10-21","18:00:00",""
"4126714","10.5952","0.0005","38.7321","0.0017","20.711","0.0011","90","","103.137","0.005","90","","8276.8","0.7","173","2","173","2","","","","","","","","6","C 1 c 1","C -2yc","9","{[(Boryl)2(C4O4)]Li2(THF)4}","","","- C84 H128 B2 Li2 N4 O11 -","- C84 H115 B2 Li2 N4 O11 -","- C336 H460 B8 Li8 N16 O44 -","4","1","","Wang, Baoli; Luo, Gen; Nishiura, Masayoshi; Luo, Yi; Hou, Zhaomin","Cooperative Trimerization of Carbon Monoxide by Lithium and Samarium Boryls.","Journal of the American Chemical Society","2017","","","","","10.1021/jacs.7b10108","","","0.71073","MoKα","","0.1252","0.0883","","","0.2407","0.272","","","","","","1.04","","","","has coordinates,has disorder","203008","2020-10-21","18:00:00",""
"4126715","10.4074","0.0004","13.5526","0.0006","14.7595","0.0006","90","","102.749","0.002","90","","2030.46","0.15","100","2","100","2","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","","","- C29 H37 O2 -","- C29 H37 O2 -","- C116 H148 O8 -","4","1","","Fokin, Andrey A.; Zhuk, Tatyana S.; Blomeyer, Sebastian; Pérez, Cristóbal; Chernish, Lesya V.; Pashenko, Alexander E.; Antony, Jens; Vishnevskiy, Yury V.; Berger, Raphael J. F.; Grimme, Stefan; Logemann, Christian; Schnell, Melanie; Mitzel, Norbert W.; Schreiner, Peter R.","Intramolecular London Dispersion Interaction Effects on Gas-Phase and Solid-State Structures of Diamondoid Dimers.","Journal of the American Chemical Society","2017","","","","","10.1021/jacs.7b07884","","","0.71073","MoKα","","0.0803","0.0528","","","0.1106","0.1214","","","","","","1.043","","","","has coordinates","203009","2020-10-21","18:00:00",""
"4126716","10.3572","0.0011","13.5376","0.0018","12.8603","0.0012","90","","90","","90","","1803.2","0.3","193","2","193","2","","","","","","","","3","P b c n","-P 2n 2ab","60","","","","- C26 H34 O2 -","- C26 H34 O2 -","- C104 H136 O8 -","4","0.5","","Fokin, Andrey A.; Zhuk, Tatyana S.; Blomeyer, Sebastian; Pérez, Cristóbal; Chernish, Lesya V.; Pashenko, Alexander E.; Antony, Jens; Vishnevskiy, Yury V.; Berger, Raphael J. F.; Grimme, Stefan; Logemann, Christian; Schnell, Melanie; Mitzel, Norbert W.; Schreiner, Peter R.","Intramolecular London Dispersion Interaction Effects on Gas-Phase and Solid-State Structures of Diamondoid Dimers.","Journal of the American Chemical Society","2017","","","","","10.1021/jacs.7b07884","","","0.71073","MoKα","","0.0485","0.0428","","","0.1175","0.1218","","","","","","1.049","","","","has coordinates","203010","2020-10-21","18:00:00",""
"4126717","9.763","0.0003","10.5338","0.0003","13.3513","0.0004","90","","90","","90","","1373.07","0.07","20","2","20","2","","","","","","","","5","P n m a","-P 2ac 2n","62","FeCl3(PMe3)2","","","- C6 H18 Cl3 Fe P2 -","- C6 H18 Cl3 Fe P2 -","- C24 H72 Cl12 Fe4 P8 -","4","0.5","","Feng, Xiaowen; Hwang, Seung Jun; Liu, Jun-Liang; Chen, Yan-Cong; Tong, Ming-Liang; Nocera, Daniel G.","Slow Magnetic Relaxation in Intermediate Spin S = 3/2 Mononuclear Fe(III) Complexes.","Journal of the American Chemical Society","2017","","","","","10.1021/jacs.7b09699","","","0.41328","synchrotron","","0.0152","0.0144","","","0.0401","0.0405","","","","","","1.138","","","","has coordinates,has disorder","203085","2020-10-21","18:00:00",""
"4126718","16.7477","0.0017","8.6634","0.001","14.603","0.0016","90","","108.678","0.002","90","","2007.2","0.4","20","2","20","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","FeCl3(PMe2Ph)2","","","- C16 H22 Cl3 Fe P2 -","- C16 H22 Cl3 Fe P2 -","- C64 H88 Cl12 Fe4 P8 -","4","1","","Feng, Xiaowen; Hwang, Seung Jun; Liu, Jun-Liang; Chen, Yan-Cong; Tong, Ming-Liang; Nocera, Daniel G.","Slow Magnetic Relaxation in Intermediate Spin S = 3/2 Mononuclear Fe(III) Complexes.","Journal of the American Chemical Society","2017","","","","","10.1021/jacs.7b09699","","","0.41328","synchrotron","","0.0502","0.0444","","","0.1171","0.1227","","","","","","1.038","","","","has coordinates","203085","2020-10-21","18:00:00",""
"4126719","8.1689","0.0004","8.7421","0.0004","13.5756","0.0008","90","","99.355","0.005","90","","956.59","0.09","298","0.3","298","0.3","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C21 H19 N O5 S -","- C21 H19 N O5 S -","- C42 H38 N2 O10 S2 -","2","1","","Gui, Yong-Yuan; Hu, Naifu; Chen, Xiao-Wang; Liao, Li−Li; Ju, Tao; Ye, Jian-Heng; Zhang, Zhen; Li, Jing; Yu, Da-Gang","Highly Regio- and Enantioselective Copper-Catalyzed Reductive Hydroxymethylation of Styrenes and 1,3-Dienes with CO2","Journal of the American Chemical Society","2017","","","","","10.1021/jacs.7b10149","","x-ray","1.54184","CuKα","","0.0509","0.049","","","0.1345","0.1389","","","","","","1.066","","","","has coordinates","203086","2020-10-21","18:00:00",""
"4126720","3.6803","0.0001","3.6803","0.0001","26.1276","0.0016","90","","90","","120","","306.48","0.02","100","2","100","2","","","","","","","","4","R -3 m :H","-R 3 2""","166","","","","- In K S6 Sn2 -","- In0.9996 K1.0002 S6 Sn2.0001 -","- In0.9996 K1.0002 S6 Sn2.0001 -","1","0.0277778","","Xiao, Chengliang; Hassanzadeh Fard, Zohreh; Sarma, Debajit; Song, Tze-Bin; Xu, Chao; Kanatzidis, Mercouri G.","Highly Efficient Separation of Trivalent Minor Actinides by a Layered Metal Sulfide (KInSn2S6) from Acidic Radioactive Waste.","Journal of the American Chemical Society","2017","","","","","10.1021/jacs.7b10464","","","0.71073","MoKα","","0.0308","0.0308","","","0.109","0.109","","","","","","1.091","","","","has coordinates,has disorder","203087","2020-10-21","18:00:00",""
"4126721","19.097","0.003","32.141","0.004","35.122","0.005","90","","90","","90","","21558","5","100","2","100","2","","","","","","","","4","F m m m","-F 2 2","69","","","","- C40 H30 O16 Zr3 -","- C40 H30 O16 Zr3 -","- C320 H240 O128 Zr24 -","8","0.25","","Pang, Jiandong; Yuan, Shuai; Qin, Junsheng; Liu, Caiping; Lollar, Christina; Wu, Mingyan; Yuan, Daqiang; Zhou, Hong-Cai; Hong, Maochun","Control the Structure of Zr-Tetracarboxylate Frameworks through Steric Tuning.","Journal of the American Chemical Society","2017","","","","","10.1021/jacs.7b09973","","","1.54184","CuKα","","0.099","0.0858","","","0.2413","0.2534","","","","","","0.996","","","","has coordinates","203088","2020-10-21","18:00:00",""
"4126722","18.018","0.003","33.1022","0.0012","35.0246","0.0011","90","","90","","90","","20890","4","100","2","100","2","","","","","","","","4","F m m m","-F 2 2","69","","","","- C40 H28 O18 Zr3 -","- C40 H28 O18 Zr3 -","- C320 H224 O144 Zr24 -","8","0.25","","Pang, Jiandong; Yuan, Shuai; Qin, Junsheng; Liu, Caiping; Lollar, Christina; Wu, Mingyan; Yuan, Daqiang; Zhou, Hong-Cai; Hong, Maochun","Control the Structure of Zr-Tetracarboxylate Frameworks through Steric Tuning.","Journal of the American Chemical Society","2017","","","","","10.1021/jacs.7b09973","","","1.54184","CuKα","","0.1035","0.0642","","","0.2018","0.2306","","","","","","0.955","","","","has coordinates","203088","2020-10-21","18:00:00",""
"4126723","18.7781","0.001","35.2745","0.0008","16.0212","0.0003","90","","90","","90","","10612.3","0.6","100","2","100","2","","","","","","","","4","C m m m","-C 2 2","65","","","","- C40 H30 O18 Zr3 -","- C40 H30 O18 Zr3 -","- C160 H120 O72 Zr12 -","4","0.25","","Pang, Jiandong; Yuan, Shuai; Qin, Junsheng; Liu, Caiping; Lollar, Christina; Wu, Mingyan; Yuan, Daqiang; Zhou, Hong-Cai; Hong, Maochun","Control the Structure of Zr-Tetracarboxylate Frameworks through Steric Tuning.","Journal of the American Chemical Society","2017","","","","","10.1021/jacs.7b09973","","","1.54184","CuKα","","0.059","0.0485","","","0.1479","0.157","","","","","","1.078","","","","has coordinates","203088","2020-10-21","18:00:00",""
"4126724","35.1569","0.0004","20.1235","0.0006","15.6584","0.0002","90","","90","","90","","11078","0.4","100","2","100","2","","","","","","","","5","C m m m","-C 2 2","65","","","","- C80 H64 N4 O32 Zr6 -","- C80 H64 N4 O32 Zr6 -","- C160 H128 N8 O64 Zr12 -","2","0.125","","Pang, Jiandong; Yuan, Shuai; Qin, Junsheng; Liu, Caiping; Lollar, Christina; Wu, Mingyan; Yuan, Daqiang; Zhou, Hong-Cai; Hong, Maochun","Control the Structure of Zr-Tetracarboxylate Frameworks through Steric Tuning.","Journal of the American Chemical Society","2017","","","","","10.1021/jacs.7b09973","","","1.54184","CuKα","","0.0608","0.054","","","0.1686","0.1767","","","","","","1.17","","","","has coordinates","203088","2020-10-21","18:00:00",""
"4126725","35.2146","0.0009","19.7752","0.0016","15.7268","0.0006","90","","90","","90","","10951.8","1","100","2","100","2","","","","","","","","4","C m m m","-C 2 2","65","","","","- C42 H34 O18 Zr3 -","- C42 H34 O18 Zr3 -","- C168 H136 O72 Zr12 -","4","0.25","","Pang, Jiandong; Yuan, Shuai; Qin, Junsheng; Liu, Caiping; Lollar, Christina; Wu, Mingyan; Yuan, Daqiang; Zhou, Hong-Cai; Hong, Maochun","Control the Structure of Zr-Tetracarboxylate Frameworks through Steric Tuning.","Journal of the American Chemical Society","2017","","","","","10.1021/jacs.7b09973","","","1.54184","CuKα","","0.0616","0.0498","","","0.1549","0.1642","","","","","","1.077","","","","has coordinates","203088","2020-10-21","18:00:00",""
"4126726","40.962","0.017","40.962","","15.438","0.006","90","","90","","120","","22433","13","296","2","296","2","","","","","","","","4","P 6/m m m","-P 6 2","191","","","","- C40 H30 O18 Zr3 -","- C40 H30 O18 Zr3 -","- C240 H180 O108 Zr18 -","6","0.25","","Pang, Jiandong; Yuan, Shuai; Qin, Junsheng; Liu, Caiping; Lollar, Christina; Wu, Mingyan; Yuan, Daqiang; Zhou, Hong-Cai; Hong, Maochun","Control the Structure of Zr-Tetracarboxylate Frameworks through Steric Tuning.","Journal of the American Chemical Society","2017","","","","","10.1021/jacs.7b09973","","","1.54184","CuKα","","0.0642","0.0475","","","0.1249","0.1289","","","","","","0.927","","","","has coordinates","203088","2020-10-21","18:00:00",""
"4126727","41.0545","0.0009","41.0545","0.0009","14.6865","0.0003","90","","90","","120","","21437.3","0.8","100","2","100","2","","","","","","","","5","P 6/m m m","-P 6 2","191","","","","- C40 H32 N2 O16 Zr3 -","- C40 H32 N2 O16 Zr3 -","- C240 H192 N12 O96 Zr18 -","6","0.25","","Pang, Jiandong; Yuan, Shuai; Qin, Junsheng; Liu, Caiping; Lollar, Christina; Wu, Mingyan; Yuan, Daqiang; Zhou, Hong-Cai; Hong, Maochun","Control the Structure of Zr-Tetracarboxylate Frameworks through Steric Tuning.","Journal of the American Chemical Society","2017","","","","","10.1021/jacs.7b09973","","","1.54184","CuKα","","0.0772","0.0523","","","0.1541","0.1789","","","","","","1.031","","","","has coordinates","203088","2020-10-21","18:00:00",""
"4126728","40.2157","0.0014","40.2157","0.0014","15.4827","0.0006","90","","90","","120","","21685.5","1.4","100","2","100","2","","","","","","","","4","P 6/m m m","-P 6 2","191","","","","- C50 H46 O18 Zr3 -","- C40 H28 O18 Zr3 -","- C240 H168 O108 Zr18 -","6","0.25","","Pang, Jiandong; Yuan, Shuai; Qin, Junsheng; Liu, Caiping; Lollar, Christina; Wu, Mingyan; Yuan, Daqiang; Zhou, Hong-Cai; Hong, Maochun","Control the Structure of Zr-Tetracarboxylate Frameworks through Steric Tuning.","Journal of the American Chemical Society","2017","","","","","10.1021/jacs.7b09973","","","1.54184","CuKα","","0.093","0.0762","","","0.1885","0.1934","","","","","","0.906","","","","has coordinates","203088","2020-10-21","18:00:00",""
"4126729","16.6619","0.0014","32.7171","0.0009","35.7812","0.0008","90","","90","","90","","19505.4","1.8","100","2","100","2","","","","","","","","5","F m m m","-F 2 2","69","","","","- C40 H30 N O16 Zr3 -","- C40 H30 N O16 Zr3 -","- C320 H240 N8 O128 Zr24 -","8","0.25","","Pang, Jiandong; Yuan, Shuai; Qin, Junsheng; Liu, Caiping; Lollar, Christina; Wu, Mingyan; Yuan, Daqiang; Zhou, Hong-Cai; Hong, Maochun","Control the Structure of Zr-Tetracarboxylate Frameworks through Steric Tuning.","Journal of the American Chemical Society","2017","","","","","10.1021/jacs.7b09973","","","1.54184","CuKα","","0.0548","0.0438","","","0.1159","0.1206","","","","","","0.902","","","","has coordinates","203088","2020-10-21","18:00:00",""
"4126730","40.313","0.015","40.313","","16.344","0.007","90","","90","","120","","23003","13","297","2","297","2","","","","","","","","4","P 6/m m m","-P 6 2","191","","","","- C42 H28 O16 Zr3 -","- C42 H28 O16 Zr3 -","- C252 H168 O96 Zr18 -","6","0.25","","Pang, Jiandong; Yuan, Shuai; Qin, Junsheng; Liu, Caiping; Lollar, Christina; Wu, Mingyan; Yuan, Daqiang; Zhou, Hong-Cai; Hong, Maochun","Control the Structure of Zr-Tetracarboxylate Frameworks through Steric Tuning.","Journal of the American Chemical Society","2017","","","","","10.1021/jacs.7b09973","","","1.54184","CuKα","","0.1036","0.0738","","","0.1727","0.1822","","","","","","0.73","","","","has coordinates","203088","2020-10-21","18:00:00",""
"4126731","40.4113","0.0011","40.4113","0.0011","15.6898","0.0006","90","","90","","120","","22189.8","1.2","297","2","297","2","","","","","","","","4","P 6/m m m","-P 6 2","191","","","","- C44.67 H44 O16.67 Zr3 -","- C41.3332 H25.3332 O16.671 Zr3 -","- C247.999 H151.999 O100.026 Zr18 -","6","0.25","","Pang, Jiandong; Yuan, Shuai; Qin, Junsheng; Liu, Caiping; Lollar, Christina; Wu, Mingyan; Yuan, Daqiang; Zhou, Hong-Cai; Hong, Maochun","Control the Structure of Zr-Tetracarboxylate Frameworks through Steric Tuning.","Journal of the American Chemical Society","2017","","","","","10.1021/jacs.7b09973","","","1.54184","CuKα","","0.0594","0.0416","","","0.0863","0.0878","","","","","","0.782","","","","has coordinates","203088","2020-10-21","18:00:00",""
"4126732","8.9278","0.0002","8.9278","0.0002","16.4399","0.0005","90","","90","","120","","1134.8","0.05","296","2","296","2","","","","","","","","3","P 32","P 32","145","","","","- C20 H18 O2 -","- C20 H18 O2 -","- C60 H54 O6 -","3","1","","Zhu, Chendan; Wang, Dingyi; Zhao, Yue; Sun, Wei-Yin; Shi, Zhuangzhi","Enantioselective Palladium-Catalyzed Intramolecular α-Arylative Desymmetrization of 1,3-Diketones.","Journal of the American Chemical Society","2017","","","","","10.1021/jacs.7b10365","","","1.54178","CuKα","","0.0283","0.0281","","","0.072","0.0722","","","","","","1.025","","","","has coordinates","203181","2020-10-21","18:00:00",""
"4126733","22.18","0.004","7.7699","0.0014","7.2658","0.0012","90","","102.199","0.008","90","","1223.9","0.4","296","2","296","2","","","","","","","","3","C 1 2 1","C 2y","5","","","","- C15 H14 O4 -","- C15 H14 O4 -","- C60 H56 O16 -","4","1","","Zhu, Chendan; Wang, Dingyi; Zhao, Yue; Sun, Wei-Yin; Shi, Zhuangzhi","Enantioselective Palladium-Catalyzed Intramolecular α-Arylative Desymmetrization of 1,3-Diketones.","Journal of the American Chemical Society","2017","","","","","10.1021/jacs.7b10365","","","1.54178","CuKα","","0.03","0.0297","","","0.0827","0.083","","","","","","1.037","","","","has coordinates","203182","2020-10-21","18:00:00",""
"4126734","19.558","0.004","7.9565","0.0016","17.993","0.003","90","","95.842","0.005","90","","2785.4","0.9","296","2","296","2","","","","","","","","6","C 1 2 1","C 2y","5","","","","- C29 H30 Fe N O P -","- C29 H30 Fe N O P -","- C116 H120 Fe4 N4 O4 P4 -","4","1","","Zhu, Chendan; Wang, Dingyi; Zhao, Yue; Sun, Wei-Yin; Shi, Zhuangzhi","Enantioselective Palladium-Catalyzed Intramolecular α-Arylative Desymmetrization of 1,3-Diketones.","Journal of the American Chemical Society","2017","","","","","10.1021/jacs.7b10365","","","0.71073","MoKα","","0.0504","0.0405","","","0.0961","0.1005","","","","","","1.011","","","","has coordinates","203183","2020-10-21","18:00:00",""
"4126735","13.925","0.01","10.932","0.009","12.059","0.009","90","","106.14","0.02","90","","1763","2","296","2","296","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C20 H19 Br O2 -","- C20 H19 Br O2 -","- C80 H76 Br4 O8 -","4","1","","Zhu, Chendan; Wang, Dingyi; Zhao, Yue; Sun, Wei-Yin; Shi, Zhuangzhi","Enantioselective Palladium-Catalyzed Intramolecular α-Arylative Desymmetrization of 1,3-Diketones.","Journal of the American Chemical Society","2017","","","","","10.1021/jacs.7b10365","","","0.71073","MoKα","","0.1794","0.1175","","","0.2801","0.3242","","","","","","1.119","","","","has coordinates","203184","2020-10-21","18:00:00",""
"4126736","13.2672","0.0013","5.7843","0.0006","21.786","0.003","90","","91.337","0.004","90","","1671.4","0.3","296","2","296","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C20 H19 Br O2 -","- C20 H19 Br O2 -","- C80 H76 Br4 O8 -","4","1","","Zhu, Chendan; Wang, Dingyi; Zhao, Yue; Sun, Wei-Yin; Shi, Zhuangzhi","Enantioselective Palladium-Catalyzed Intramolecular α-Arylative Desymmetrization of 1,3-Diketones.","Journal of the American Chemical Society","2017","","","","","10.1021/jacs.7b10365","","","0.71073","MoKα","","0.0467","0.0346","","","0.0788","0.0842","","","","","","1.063","","","","has coordinates","203185","2020-10-21","18:00:00",""
"4126737","6.9131","0.0002","11.8205","0.0004","16.9278","0.0006","90","","90","","90","","1383.28","0.08","296","2","296","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C17 H17 N O2 -","- C17 H17 N O2 -","- C68 H68 N4 O8 -","4","1","","Zhu, Chendan; Wang, Dingyi; Zhao, Yue; Sun, Wei-Yin; Shi, Zhuangzhi","Enantioselective Palladium-Catalyzed Intramolecular α-Arylative Desymmetrization of 1,3-Diketones.","Journal of the American Chemical Society","2017","","","","","10.1021/jacs.7b10365","","","1.54178","CuKα","","0.0297","0.029","","","0.0761","0.0767","","","","","","1.028","","","","has coordinates","203186","2020-10-21","18:00:00",""
"4126738","9.1529","0.0003","11.1691","0.0004","12.8208","0.0005","90","","90","","90","","1310.67","0.08","296","2","296","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C16 H18 O3 -","- C16 H18 O3 -","- C64 H72 O12 -","4","1","","Zhu, Chendan; Wang, Dingyi; Zhao, Yue; Sun, Wei-Yin; Shi, Zhuangzhi","Enantioselective Palladium-Catalyzed Intramolecular α-Arylative Desymmetrization of 1,3-Diketones.","Journal of the American Chemical Society","2017","","","","","10.1021/jacs.7b10365","","","1.54178","CuKα","","0.0297","0.0293","","","0.0792","0.0796","","","","","","1.096","","","","has coordinates","203187","2020-10-21","18:00:00",""
"4126739","7.1098","0.0007","11.329","0.0012","7.2326","0.0007","90","","95.131","0.005","90","","580.23","0.1","296","2","296","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C15 H13 N O2 -","- C15 H13 N O2 -","- C30 H26 N2 O4 -","2","1","","Zhu, Chendan; Wang, Dingyi; Zhao, Yue; Sun, Wei-Yin; Shi, Zhuangzhi","Enantioselective Palladium-Catalyzed Intramolecular α-Arylative Desymmetrization of 1,3-Diketones.","Journal of the American Chemical Society","2017","","","","","10.1021/jacs.7b10365","","","1.54178","CuKα","","0.0315","0.0315","","","0.084","0.0841","","","","","","1.083","","","","has coordinates","203188","2020-10-21","18:00:00",""
"4126740","35.0105","0.0005","14.9044","0.0002","31.0306","0.0005","90","","102.03","0.002","90","","15836.5","0.4","100","2","100","0.1","","","","","","","","5","C 1 2 1","C 2y","5","","","","- C87 H72 I12 N24 Zn6 -","- C87 H72 I12 N24 Zn6 -","- C348 H288 I48 N96 Zn24 -","4","1","","Kersten, Roland D.; Lee, Shoukou; Fujita, Daishi; Pluskal, Tomáš; Kram, Susan; Smith, Jennifer E.; Iwai, Takahiro; Noel, Joseph P.; Fujita, Makoto; Weng, Jing-Ke","A Red Algal Bourbonane Sesquiterpene Synthase Defined by Microgram-scale NMR-coupled Crystalline Sponge XRD Analysis.","Journal of the American Chemical Society","2017","","","","","10.1021/jacs.7b09452","","x-ray","1.54184","CuKα","","0.0628","0.0602","","","0.1717","0.1749","","","","","","1.081","","","","has coordinates,has disorder","203189","2020-10-21","18:00:00",""
"4126741","3.4659","","3.4659","","8.3694","","90","","90","","120","","87.068","","293","","293","","","","","","","","","3","P -1","-P 1","2","","","","- Fe2 O4.846 Yb -","- Fe2 O4.846 Yb -","- Fe2 O4.846 Yb -","1","0.5","","Nicoud, Sarah; Huvé, Marielle; Hernandez, Olivier; Pautrat, Alain; Duttine, Mathieu; Wattiaux, Alain; Colin, Claire; Kabbour, Houria; Mentré, Olivier","Comprehensive Study of Oxygen Storage in YbFe2O4+x (x ≤ 0.5): Unprecedented Coexistence of FeOn Polyhedra in One Single Phase.","Journal of the American Chemical Society","2017","","","","","10.1021/jacs.7b06409","powder diffraction","neutron","1.28","","","0.039","0.0387","","0.0559","0.0558","","","","10.53","","","","","","","has coordinates","203354","2020-10-21","18:00:00",""
"4126742","18.606","0.007","18.804","0.008","19.121","0.007","90","","90.89","0.03","90","","6689","5","100","2","100","2","","","","","","","","7","P 1 21 1","P 2yb","4","","","","- C65.69 H32.07 B F36 Ir N5 O0.84 -","- C65.69 H32.07 B F36 Ir N5 O0.845 -","- C262.76 H128.28 B4 F144 Ir4 N20 O3.38 -","4","2","","Skubi, Kazimer L.; Kidd, Jesse B.; Jung, Hoimin; Guzei, Ilia A.; Baik, Mu-Hyun; Yoon, Tehshik P.","Enantioselective Excited-State Photoreactions Controlled by a Chiral Hydrogen-Bonding Iridium Sensitizer.","Journal of the American Chemical Society","2017","","","","","10.1021/jacs.7b10586","","","0.71073","MoKα","","0.0474","0.0429","","","0.1089","0.1121","","","","","","1.01","","","","has coordinates,has disorder","203355","2020-10-21","18:00:00",""
"4126743","25.629","0.009","18.192","0.007","14.314","0.004","90","","90","","90","","6674","4","100","2","100.01","","","","","","","","","8","P n a 21","P 2c -2n","33","","","","- C65 H31 B Cl2 F34 Ir N5 O1.34 -","- C65 H31 B Cl2 F34 Ir N5 O1.333 -","- C260 H124 B4 Cl8 F136 Ir4 N20 O5.332 -","4","1","","Skubi, Kazimer L.; Kidd, Jesse B.; Jung, Hoimin; Guzei, Ilia A.; Baik, Mu-Hyun; Yoon, Tehshik P.","Enantioselective Excited-State Photoreactions Controlled by a Chiral Hydrogen-Bonding Iridium Sensitizer.","Journal of the American Chemical Society","2017","","","","","10.1021/jacs.7b10586","","x-ray","0.71073","MoKα","","0.0427","0.0321","","","0.074","0.0763","","","","","","1.033","","","","has coordinates,has disorder","203356","2020-10-21","18:00:00",""
"4126744","19.385","0.008","17.706","0.006","17.68","0.006","90","","95.525","0.01","90","","6040","4","100","2","99.99","","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C32.41 H16.41 Cl1.22 F10 Ir N5 -","- C32 H16 F10 Ir N5 -","- C256 H128 F80 Ir8 N40 -","8","1","","Skubi, Kazimer L.; Kidd, Jesse B.; Jung, Hoimin; Guzei, Ilia A.; Baik, Mu-Hyun; Yoon, Tehshik P.","Enantioselective Excited-State Photoreactions Controlled by a Chiral Hydrogen-Bonding Iridium Sensitizer.","Journal of the American Chemical Society","2017","","","","","10.1021/jacs.7b10586","","","0.71073","MoKα","","0.0437","0.028","","","0.0597","0.0628","","","","","","1.02","","","","has coordinates,has disorder","203357","2020-10-21","18:00:00",""
"4126745","29.5994","0.0012","34.117","0.0011","25.9158","0.0009","90","","124.556","0.002","90","","21553.6","1.4","100","2","100","","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C114.29 H111.62 N4.5 Ni O0.5 -","- C457.164 H446.493 N18 Ni4 O2 -","- C914.329 H892.986 N36 Ni8 O4 -","2","0.25","","Agnew, Douglas W.; DiMucci, Ida M.; Arroyave, Alejandra; Gembicky, Milan; Moore, Curtis E.; MacMillan, Samantha N.; Rheingold, Arnold L.; Lancaster, Kyle M.; Figueroa, Joshua S.","Crystalline Coordination Networks of Zero-Valent Metal Centers: Formation of a 3-Dimensional Ni(0) Framework with m-Terphenyl Diisocyanides.","Journal of the American Chemical Society","2017","","","","","10.1021/jacs.7b09569","","x-ray","1.54178","CuKα","K-L~3~","0.1928","0.0982","","","0.2507","0.3121","","","","","","0.987","","","","has coordinates,has disorder","203358","2020-10-21","18:00:00",""
"4126746","16.5352","0.0006","21.4824","0.0009","24.9074","0.0011","90","","94.939","0.002","90","","8814.7","0.6","100","2","100","","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C108 H108 F3 N4 Ni O3 S -","- C108 H108 F3 N4 Ni O3 S -","- C432 H432 F12 N16 Ni4 O12 S4 -","4","1","","Agnew, Douglas W.; DiMucci, Ida M.; Arroyave, Alejandra; Gembicky, Milan; Moore, Curtis E.; MacMillan, Samantha N.; Rheingold, Arnold L.; Lancaster, Kyle M.; Figueroa, Joshua S.","Crystalline Coordination Networks of Zero-Valent Metal Centers: Formation of a 3-Dimensional Ni(0) Framework with m-Terphenyl Diisocyanides.","Journal of the American Chemical Society","2017","","","","","10.1021/jacs.7b09569","","","0.71073","MoKα","","0.1421","0.0676","","","0.155","0.1926","","","","","","1.022","","","","has coordinates","203358","2020-10-21","18:00:00",""
"4126747","9.8364","0.0006","14.9329","0.0013","16.8019","0.0009","66.631","0.007","89.585","0.004","89.082","0.006","2265.2","0.3","120.2","0.8","120.2","0.8","","","","","","","","6","P -1","-P 1","2","","Dabconium manganese hypophosphite","","- C2 H8.67 Mn0.67 N0.67 O4 P2 -","- C2 H8.66667 Mn0.666667 N0.666667 O4 P2 -","- C24 H104 Mn8 N8 O48 P24 -","12","6","","Wu, Yue; Shaker, Sammy; Brivio, Federico; Murugavel, Ramaswamy; Bristowe, Paul D.; Cheetham, Anthony K.","[Am]Mn(H2POO)3: A New Family of Hybrid Perovskites Based on the Hypophosphite Ligand.","Journal of the American Chemical Society","2017","","","","","10.1021/jacs.7b09417","","x-ray","0.71073","MoKα","","0.1255","0.1149","","","0.2718","0.2775","","","","","","1.157","","","","has coordinates","203359","2020-10-21","18:00:00",""
"4126748","7.4021","0.0005","10.2234","0.0005","13.4765","0.0008","90","","103.573","0.006","90","","991.35","0.1","115","3","115","3","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","Formamidinium manganese hypophosphite","","- C H12 Mn N2 O6 P3 -","- C H11 Mn N2 O6 P3 -","- C4 H44 Mn4 N8 O24 P12 -","4","1","","Wu, Yue; Shaker, Sammy; Brivio, Federico; Murugavel, Ramaswamy; Bristowe, Paul D.; Cheetham, Anthony K.","[Am]Mn(H2POO)3: A New Family of Hybrid Perovskites Based on the Hypophosphite Ligand.","Journal of the American Chemical Society","2017","","","","","10.1021/jacs.7b09417","","x-ray","0.71073","MoKα","","0.0469","0.0368","","","0.0851","0.092","","","","","","1.055","","","","has coordinates","203360","2020-10-21","18:00:00",""
"4126749","13.4506","0.0007","10.2196","0.0004","7.5274","0.0004","90","","103.604","0.005","90","","1005.69","0.09","298.3","0.8","298.3","0.8","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","Formamidinium manganese hypophosphite","","- C1.5 H4 Mn0.5 N0.5 O3 P1.5 -","- C0.5 H6 Mn0.5 N O3 P1.5 -","- C4 H48 Mn4 N8 O24 P12 -","8","1","","Wu, Yue; Shaker, Sammy; Brivio, Federico; Murugavel, Ramaswamy; Bristowe, Paul D.; Cheetham, Anthony K.","[Am]Mn(H2POO)3: A New Family of Hybrid Perovskites Based on the Hypophosphite Ligand.","Journal of the American Chemical Society","2017","","","","","10.1021/jacs.7b09417","","x-ray","0.71073","MoKα","","0.0373","0.0332","","","0.0834","0.0857","","","","","","1.104","","","","has coordinates","203361","2020-10-21","18:00:00",""
"4126750","9.8034","0.0003","8.5924","0.0002","13.312","0.0004","90","","98.554","0.002","90","","1108.86","0.05","298.8","0.4","298.8","0.4","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","Triazolium managnese hypophosphite","","- C2 H8 Mn N3 O6 P3 -","- C2 H10 Mn N3 O6 P3 -","- C8 H40 Mn4 N12 O24 P12 -","4","1","","Wu, Yue; Shaker, Sammy; Brivio, Federico; Murugavel, Ramaswamy; Bristowe, Paul D.; Cheetham, Anthony K.","[Am]Mn(H2POO)3: A New Family of Hybrid Perovskites Based on the Hypophosphite Ligand.","Journal of the American Chemical Society","2017","","","","","10.1021/jacs.7b09417","","x-ray","0.71073","MoKα","","0.037","0.0305","","","0.069","0.0731","","","","","","1.072","","","","has coordinates","203362","2020-10-21","18:00:00",""
"4126751","9.0994","0.0007","9.2419","0.0006","15.8369","0.0012","105.294","0.006","90.971","0.006","118.618","0.008","1111.44","0.18","302","1","302","1","","","","","","","","6","P -1","-P 1","2","","Guanidinium manganese hypophosphite","","- C2 H24 Mn2 N6 O12 P6 -","- C2 H24 Mn2 N6 O12 P6 -","- C4 H48 Mn4 N12 O24 P12 -","2","1","","Wu, Yue; Shaker, Sammy; Brivio, Federico; Murugavel, Ramaswamy; Bristowe, Paul D.; Cheetham, Anthony K.","[Am]Mn(H2POO)3: A New Family of Hybrid Perovskites Based on the Hypophosphite Ligand.","Journal of the American Chemical Society","2017","","","","","10.1021/jacs.7b09417","","x-ray","0.71073","MoKα","","0.0544","0.0468","","","0.1161","0.125","","","","","","1.078","","","","has coordinates","203363","2020-10-21","18:00:00",""
"4126752","9.886","0.0005","9.886","0.0005","41.171","0.002","90","","90","","120","","3484.7","0.3","300","0.4","300","0.4","","","","","","","","6","R -3","-R 3","148","","[C6N2H14]Mn[H2PO2]3","","- C2 H8.67 Mn0.67 N0.67 O4 P2 -","- C2 H8.66667 Mn0.666667 N0.666667 O4 P2 -","- C36 H156 Mn12 N12 O72 P36 -","18","","","Wu, Yue; Shaker, Sammy; Brivio, Federico; Murugavel, Ramaswamy; Bristowe, Paul D.; Cheetham, Anthony K.","[Am]Mn(H2POO)3: A New Family of Hybrid Perovskites Based on the Hypophosphite Ligand.","Journal of the American Chemical Society","2017","","","","","10.1021/jacs.7b09417","","x-ray","0.71073","MoKα","","0.0734","0.0584","","","0.1248","0.1329","","","","","","1.1","","","","has coordinates","203364","2020-10-21","18:00:00",""
"4126753","8.7596","0.0003","13.2087","0.0004","9.6956","0.0003","90","","89.764","0.003","90","","1121.8","0.06","298.3","1","298.3","1","","","","","","","","6","I 1 2/m 1","-I 2y","12","","Guanidinium manganese hypophosphite","","- C0.5 H6 Mn0.5 N1.5 O3 P1.5 -","- C0.5 H6 Mn0.5 N1.5 O3 P1.5 -","- C4 H48 Mn4 N12 O24 P12 -","8","1","","Wu, Yue; Shaker, Sammy; Brivio, Federico; Murugavel, Ramaswamy; Bristowe, Paul D.; Cheetham, Anthony K.","[Am]Mn(H2POO)3: A New Family of Hybrid Perovskites Based on the Hypophosphite Ligand.","Journal of the American Chemical Society","2017","","","","","10.1021/jacs.7b09417","","x-ray","0.71073","MoKα","","0.0352","0.0303","","","0.0757","0.079","","","","","","1.061","","","","has coordinates","203365","2020-10-21","18:00:00",""
"4126754","9.652","0.0002","12.7066","0.0002","18.4643","0.0003","90","","91.5497","0.0017","90","","2263.71","0.07","300","0.14","300","0.14","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","Imidazolium manganese hypophosphite","","- C6 H22 Mn2 N4 O12 P6 -","- C6 H22 Mn2 N4 O12 P6 -","- C24 H88 Mn8 N16 O48 P24 -","4","1","","Wu, Yue; Shaker, Sammy; Brivio, Federico; Murugavel, Ramaswamy; Bristowe, Paul D.; Cheetham, Anthony K.","[Am]Mn(H2POO)3: A New Family of Hybrid Perovskites Based on the Hypophosphite Ligand.","Journal of the American Chemical Society","2017","","","","","10.1021/jacs.7b09417","","x-ray","0.71073","MoKα","","0.0518","0.0365","","","0.0801","0.0879","","","","","","1.059","","","","has coordinates","203366","2020-10-21","18:00:00",""
"4126755","14.24","0.003","6.3956","0.0012","26.696","0.006","90","","101.203","0.007","90","","2385","0.9","100","2","100","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C28 H20 F2 S4 -","- C28 H20 F2 S4 -","- C112 H80 F8 S16 -","4","1","","Wang, Ming; Ford, Michael J.; Zhou, Cheng; Seifrid, Martin; Nguyen, Thuc-Quyen; Bazan, Guillermo C.","Linear Conjugated Polymer Backbones Improve Alignment in Nanogroove-Assisted Organic Field-Effect Transistors.","Journal of the American Chemical Society","2017","","","","","10.1021/jacs.7b10332","","","0.71073","MoKα","","0.1938","0.079","","","0.1594","0.2061","","","","","","0.984","","","","has coordinates","203423","2020-10-21","18:00:00",""
"4126756","6.5974","0.0009","26.408","0.004","6.9247","0.001","90","","103.895","0.008","90","","1171.1","0.3","100","2","100","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C28 H20 F2 S4 -","- C28 H20 F2 S4 -","- C56 H40 F4 S8 -","2","0.5","","Wang, Ming; Ford, Michael J.; Zhou, Cheng; Seifrid, Martin; Nguyen, Thuc-Quyen; Bazan, Guillermo C.","Linear Conjugated Polymer Backbones Improve Alignment in Nanogroove-Assisted Organic Field-Effect Transistors.","Journal of the American Chemical Society","2017","","","","","10.1021/jacs.7b10332","","","0.71073","MoKα","","0.0747","0.0606","","","0.1842","0.1973","","","","","","1.062","","","","has coordinates","203424","2020-10-21","18:00:00",""
"4126757","6.3997","0.0003","13.7476","0.0006","26.6892","0.0011","90","","90","","90","","2348.13","0.18","100","2","100","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C28 H20 F2 S4 -","- C28 H20 F2 S4 -","- C112 H80 F8 S16 -","4","1","","Wang, Ming; Ford, Michael J.; Zhou, Cheng; Seifrid, Martin; Nguyen, Thuc-Quyen; Bazan, Guillermo C.","Linear Conjugated Polymer Backbones Improve Alignment in Nanogroove-Assisted Organic Field-Effect Transistors.","Journal of the American Chemical Society","2017","","","","","10.1021/jacs.7b10332","","","0.71073","MoKα","","0.0345","0.0316","","","0.0789","0.0805","","","","","","1.045","","","","has coordinates","203425","2020-10-21","18:00:00",""
"4126758","10.0969","0.0009","12.167","0.001","15.4244","0.0013","90","","105.488","0.003","90","","1826.1","0.3","100","2","100","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","Compound16","Compound16","","- C19 H28 N2 Ni O -","- C19 H28 N2 Ni O -","- C76 H112 N8 Ni4 O4 -","4","1","","Saper, Noam I.; Hartwig, John F.","Mechanistic Investigations of the Hydrogenolysis of Diaryl Ethers Catalyzed by Nickel Complexes of N-Heterocyclic Carbene Ligands.","Journal of the American Chemical Society","2017","","","","","10.1021/jacs.7b10537","","","0.71073","MoKα","","0.0363","0.0297","","","0.0699","0.0736","","","","","","1.097","","","","has coordinates","204147","2020-10-21","18:00:00",""
"4126759","21.429","0.004","16.96","0.003","9.3624","0.0014","90","","90","","90","","3402.6","1","100","2","100","2","","","","","","","","5","P n m a","-P 2ac 2n","62","Compound15","Compound15","","- C39 H48 N2 Ni O -","- C39 H48 N2 Ni O -","- C156 H192 N8 Ni4 O4 -","4","0.5","","Saper, Noam I.; Hartwig, John F.","Mechanistic Investigations of the Hydrogenolysis of Diaryl Ethers Catalyzed by Nickel Complexes of N-Heterocyclic Carbene Ligands.","Journal of the American Chemical Society","2017","","","","","10.1021/jacs.7b10537","","","0.71073","MoKα","","0.1875","0.0801","","","0.1825","0.2491","","","","","","1.03","","","","has coordinates","204147","2020-10-21","18:00:00",""
"4126760","22.8854","0.0018","10.4415","0.0009","25.777","0.002","90","","108.919","0.004","90","","5826.9","0.8","100","2","100","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","Compound24","Compound24","","- C66 H86 N4 Ni2 O2 -","- C66 H86 N4 Ni2 O2 -","- C264 H344 N16 Ni8 O8 -","4","0.5","","Saper, Noam I.; Hartwig, John F.","Mechanistic Investigations of the Hydrogenolysis of Diaryl Ethers Catalyzed by Nickel Complexes of N-Heterocyclic Carbene Ligands.","Journal of the American Chemical Society","2017","","","","","10.1021/jacs.7b10537","","","0.71073","MoKα","","0.0432","0.0355","","","0.0844","0.0888","","","","","","1.073","","","","has coordinates","204147","2020-10-21","18:00:00",""
"4126761","9.7801","0.0016","13.485","0.002","16.354","0.003","95.574","0.004","96.943","0.004","93.555","0.004","2125","0.6","100","2","100","2","","","","","","","","5","P -1","-P 1","2","Compound22","Compound22","","- C51 H58 N2 Ni O2 -","- C51 H58 N2 Ni O2 -","- C102 H116 N4 Ni2 O4 -","2","1","","Saper, Noam I.; Hartwig, John F.","Mechanistic Investigations of the Hydrogenolysis of Diaryl Ethers Catalyzed by Nickel Complexes of N-Heterocyclic Carbene Ligands.","Journal of the American Chemical Society","2017","","","","","10.1021/jacs.7b10537","","","0.71073","MoKα","","0.088","0.0522","","","0.1012","0.1158","","","","","","1.043","","","","has coordinates","203448","2020-10-21","18:00:00",""
"4126762","12.06","0.003","16.3","0.005","34.014","0.009","90","","94.684","0.006","90","","6664","3","100","2","100","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","Compound18","Compound18","","- C39 H46 N2 Ni O -","- C39 H46 N2 Ni O -","- C312 H368 N16 Ni8 O8 -","8","2","","Saper, Noam I.; Hartwig, John F.","Mechanistic Investigations of the Hydrogenolysis of Diaryl Ethers Catalyzed by Nickel Complexes of N-Heterocyclic Carbene Ligands.","Journal of the American Chemical Society","2017","","","","","10.1021/jacs.7b10537","","","0.71073","MoKα","","0.0381","0.034","","","0.0884","0.0919","","","","","","1.047","","","","has coordinates","203449","2020-10-21","18:00:00",""
"4126763","10.9844","0.001","16.4651","0.0016","25.451","0.003","90","","90","","90","","4603","0.8","150","2","150","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C54 H49 Co O0.5 P2 -","- C54 H49 Co O0.5 P2 -","- C216 H196 Co4 O2 P8 -","4","1","","Jing, Stanley M.; Balasanthiran, Vagulejan; Pagar, Vinayak; Gallucci, Judith C.; RajanBabu, T. V.","Catalytic Enantioselective Hetero-dimerization of Acrylates and 1,3-Dienes.","Journal of the American Chemical Society","2017","","","","","10.1021/jacs.7b10055","","x-ray","0.71073","MoKα","","0.0639","0.0488","","","0.1361","0.147","","","","","","1.032","","","","has coordinates,has disorder","203511","2020-10-21","18:00:00",""
"4126764","19.1093","0.0005","21.7148","0.0006","23.9709","0.0006","90","","90","","90","","9946.8","0.5","150","2","150","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C93 H102 Br2 Co2 O3 P6 -","- C93 H102 Br2 Co2 O3 P6 -","- C372 H408 Br8 Co8 O12 P24 -","4","1","","Jing, Stanley M.; Balasanthiran, Vagulejan; Pagar, Vinayak; Gallucci, Judith C.; RajanBabu, T. V.","Catalytic Enantioselective Hetero-dimerization of Acrylates and 1,3-Dienes.","Journal of the American Chemical Society","2017","","","","","10.1021/jacs.7b10055","","x-ray","0.71073","MoKα","","0.0615","0.0391","","","0.0828","0.0897","","","","","","1.005","","","","has coordinates","203512","2020-10-21","18:00:00",""
"4126765","9.5599","0.0009","15.7417","0.0015","17.1","0.0015","90","","93.948","0.004","90","","2567.3","0.4","150","2","150","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C27 H26 Br2 Co P2 -","- C27 H26 Br2 Co P2 -","- C108 H104 Br8 Co4 P8 -","4","1","","Jing, Stanley M.; Balasanthiran, Vagulejan; Pagar, Vinayak; Gallucci, Judith C.; RajanBabu, T. V.","Catalytic Enantioselective Hetero-dimerization of Acrylates and 1,3-Dienes.","Journal of the American Chemical Society","2017","","","","","10.1021/jacs.7b10055","","x-ray","0.71073","MoKα","","0.0317","0.0238","","","0.0564","0.0597","","","","","","1.06","","","","has coordinates","203513","2020-10-21","18:00:00",""
"4126766","7.1443","0.0003","12.9075","0.0005","14.265","0.0006","90","","90","","90","","1315.45","0.09","100","2","100","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","MLC-VI-120","maimone98","","- C15 H18 O5 -","- C15 H18 O5 -","- C60 H72 O20 -","4","1","","Condakes, Matthew L.; Hung, Kevin; Harwood, Stephen; Maimone, Thomas J.","Total Syntheses of (-)-Majucin and (-)-Jiadifenoxolane A, Complex Majucin-Type Illicium Sesquiterpenes.","Journal of the American Chemical Society","2017","","","","","10.1021/jacs.7b11493","","","1.54178","CuKα","","0.03","0.0295","","","0.0762","0.0767","","","","","","1.064","","","","has coordinates","204147","2020-10-21","18:00:00",""
"4126767","6.9941","0.0003","12.1369","0.0006","16.1722","0.0008","90","","90","","90","","1372.8","0.11","100","2","100","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","KH_LIT2_majucin","","","- C15 H20 O8 -","- C15 H20 O8 -","- C60 H80 O32 -","4","1","","Condakes, Matthew L.; Hung, Kevin; Harwood, Stephen; Maimone, Thomas J.","Total Syntheses of (-)-Majucin and (-)-Jiadifenoxolane A, Complex Majucin-Type Illicium Sesquiterpenes.","Journal of the American Chemical Society","2017","","","","","10.1021/jacs.7b11493","","","0.71073","MoKα","","0.031","0.03","","","0.0755","0.0761","","","","","","1.053","","","","has coordinates","203593","2020-10-21","18:00:00",""
"4126768","8.8553","0.0009","8.9979","0.0009","17.3614","0.0018","90","","90","","90","","1383.3","0.2","100","2","100","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","mc002","","","- C15 H20 O6 -","- C15 H20 O6 -","- C60 H80 O24 -","4","1","","Condakes, Matthew L.; Hung, Kevin; Harwood, Stephen; Maimone, Thomas J.","Total Syntheses of (-)-Majucin and (-)-Jiadifenoxolane A, Complex Majucin-Type Illicium Sesquiterpenes.","Journal of the American Chemical Society","2017","","","","","10.1021/jacs.7b11493","","","0.71073","MoKα","","0.0319","0.0306","","","0.0812","0.0822","","","","","","1.046","","","","has coordinates","203594","2020-10-21","18:00:00",""
"4126769","9.1952","0.0003","7.0323","0.0002","11.6867","0.0004","90","","110.96","0.002","90","","705.7","0.04","100","2","100","2","","","","","","","","3","P 1 21 1","P 2yb","4","MC001","","","- C15 H20 O6 -","- C15 H20 O6 -","- C30 H40 O12 -","2","1","","Condakes, Matthew L.; Hung, Kevin; Harwood, Stephen; Maimone, Thomas J.","Total Syntheses of (-)-Majucin and (-)-Jiadifenoxolane A, Complex Majucin-Type Illicium Sesquiterpenes.","Journal of the American Chemical Society","2017","","","","","10.1021/jacs.7b11493","","","0.71073","MoKα","","0.0355","0.0335","","","0.0889","0.0899","","","","","","1.06","","","","has coordinates","203595","2020-10-21","18:00:00",""
"4126770","11.188","0.007","12.335","0.007","20.076","0.012","90","","104.319","0.011","90","","2684","3","93","","93","","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C30 H16 Co O4 S4 -","- C30 H16 Co O4 S4 -","- C120 H64 Co4 O16 S16 -","4","1","","Sen, Susan; Hosono, Nobuhiko; Zheng, Jia-Jia; Kusaka, Shinpei; Matsuda, Ryotaro; Sakaki, Shigeyoshi; Kitagawa, Susumu","Cooperative Bond Scission in a Soft Porous Crystal Enables Discriminatory Gate-Opening for Ethylene over Ethane.","Journal of the American Chemical Society","2017","","","","","10.1021/jacs.7b10110","","","0.7008","synchrotron","","0.3085","0.1563","","","0.3277","0.3815","","","","","","1.146","","","","has coordinates","203641","2020-10-21","18:00:00",""
"4126771","11.8423","0.0006","12.3007","0.0005","25.9703","0.0012","90","","91.921","0.004","90","","3780.9","0.3","93","","93","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C30 H16 Co O5 S4 -","- C30 H16 Co O5 S4 -","- C120 H64 Co4 O20 S16 -","4","1","","Sen, Susan; Hosono, Nobuhiko; Zheng, Jia-Jia; Kusaka, Shinpei; Matsuda, Ryotaro; Sakaki, Shigeyoshi; Kitagawa, Susumu","Cooperative Bond Scission in a Soft Porous Crystal Enables Discriminatory Gate-Opening for Ethylene over Ethane.","Journal of the American Chemical Society","2017","","","","","10.1021/jacs.7b10110","","","0.71075","MoKα","","0.1664","0.0929","","","0.2194","0.2472","","","","","","1.088","","","","has coordinates","203642","2020-10-21","18:00:00",""
"4126772","11.33","0.0007","12.5583","0.0006","22.9058","0.0017","90","","91.57","0.007","90","","3257.9","0.4","103","","103","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C30 H16 Co O9 S4 -","- C30 H16 Co O9 S4 -","- C120 H64 Co4 O36 S16 -","4","1","","Sen, Susan; Hosono, Nobuhiko; Zheng, Jia-Jia; Kusaka, Shinpei; Matsuda, Ryotaro; Sakaki, Shigeyoshi; Kitagawa, Susumu","Cooperative Bond Scission in a Soft Porous Crystal Enables Discriminatory Gate-Opening for Ethylene over Ethane.","Journal of the American Chemical Society","2017","","","","","10.1021/jacs.7b10110","","","0.71075","MoKα","","0.1616","0.1292","","","0.3357","0.3581","","","","","","1.394","","","","has coordinates","203643","2020-10-21","18:00:00",""
"4126773","11.2611","0.0011","12.2636","0.0011","21.838","0.003","90","","99.105","0.011","90","","2977.9","0.6","173","","173","","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C60 H32 Co2 O8 S8 -","- C60 H32 Co2 O8 S8 -","- C120 H64 Co4 O16 S16 -","2","1","","Sen, Susan; Hosono, Nobuhiko; Zheng, Jia-Jia; Kusaka, Shinpei; Matsuda, Ryotaro; Sakaki, Shigeyoshi; Kitagawa, Susumu","Cooperative Bond Scission in a Soft Porous Crystal Enables Discriminatory Gate-Opening for Ethylene over Ethane.","Journal of the American Chemical Society","2017","","","","","10.1021/jacs.7b10110","","","0.71075","MoKα","","0.1822","0.1264","","","0.2998","0.3339","","","","","","1.122","","","","has coordinates","203644","2020-10-21","18:00:00",""
"4126774","11.3664","","12.4934","","22.908","","90","","91.886","","90","","3251.29","","173","","173","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C30 H16 Co O4 S4 -","- C30 H16 Co O4 S4 -","- C120 H64 Co4 O16 S16 -","4","1","","Sen, Susan; Hosono, Nobuhiko; Zheng, Jia-Jia; Kusaka, Shinpei; Matsuda, Ryotaro; Sakaki, Shigeyoshi; Kitagawa, Susumu","Cooperative Bond Scission in a Soft Porous Crystal Enables Discriminatory Gate-Opening for Ethylene over Ethane.","Journal of the American Chemical Society","2017","","","","","10.1021/jacs.7b10110","","","0.71075","MoKα","","0.2946","0.1768","","","0.3994","0.4342","","","","","","1.636","","","","has coordinates","203645","2020-10-21","18:00:00",""
"4126775","18.234","0.0013","12.0654","0.0002","18.1135","0.0013","90","","90.69","0.006","90","","3984.7","0.4","85","2","85","2","","","","","","","","6","P 1 2/c 1","-P 2yc","13","","","","- C49 H48 B N5 P Ru -","- C49 H48 B N5 P Ru -","- C196 H192 B4 N20 P4 Ru4 -","4","1","","Tseng, Kuei-Nin T; Kampf, Jeff W.; Szymczak, Nathaniel K.","Correction to ""Modular Attachment of Appended Boron Lewis Acids to a Ruthenium Pincer Catalyst: Metal-Ligand Cooperativity Enables Selective Alkyne Hydrogenation"".","Journal of the American Chemical Society","2017","","","","","10.1021/jacs.7b09662","","","1.54178","CuKα","","0.0376","0.0375","","","0.0979","0.098","","","","","","1.05","","","","has coordinates","203727","2020-10-21","18:00:00",""
"4126776","11.3931","0.0002","11.4712","0.0002","11.9193","0.0002","90","","90","","90","","1557.76","0.05","150","","150","","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C19 H23 N O3 -","- C19 H23 N O3 -","- C76 H92 N4 O12 -","4","1","","Shi, Heyao; Michaelides, Iacovos N.; Darses, Benjamin; Jakubec, Pavol; Nguyen, Quynh Nhu N.; Paton, Robert S.; Dixon, Darren J.","Total Synthesis of (-)-Himalensine A.","Journal of the American Chemical Society","2017","","","","","10.1021/jacs.7b10956","","","1.54184","CuKα","","0.0382","0.0377","","0.1011","0.1002","0.1011","","","","","","0.9677","","","","has coordinates","203728","2020-10-21","18:00:00",""
"4126777","31.6613","0.0003","8.174","0.0001","22.2379","0.0002","90","","107.475","0.0005","90","","5489.54","0.1","150","","150","","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C16 H19 N O3 -","- C16 H19 N O3 -","- C256 H304 N16 O48 -","16","2","","Shi, Heyao; Michaelides, Iacovos N.; Darses, Benjamin; Jakubec, Pavol; Nguyen, Quynh Nhu N.; Paton, Robert S.; Dixon, Darren J.","Total Synthesis of (-)-Himalensine A.","Journal of the American Chemical Society","2017","","","","","10.1021/jacs.7b10956","","","0.71073","MoKα","","0.0543","0.0391","","0.0997","0.0904","0.0996","","","","","","1.0146","","","","has coordinates","258458","2020-10-21","18:00:00",""
"4126778","30.6579","0.0004","8.2851","0.0001","21.8388","0.0003","90","","104.907","0.0005","90","","5360.44","0.12","150","","150","","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C16 H19 N O2 -","- C16 H19 N O2 -","- C256 H304 N16 O32 -","16","2","","Shi, Heyao; Michaelides, Iacovos N.; Darses, Benjamin; Jakubec, Pavol; Nguyen, Quynh Nhu N.; Paton, Robert S.; Dixon, Darren J.","Total Synthesis of (-)-Himalensine A.","Journal of the American Chemical Society","2017","","","","","10.1021/jacs.7b10956","","","0.71073","MoKα","","0.054","0.0408","","0.1038","0.0952","0.1038","","","","","","1.0093","","","","has coordinates","258458","2020-10-21","18:00:00",""
"4126779","9.965","","10.523","","19.478","","90","","104.19","","90","","1980.18","","100","2","100","","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C17 H28 N2 O6 -","- C17 H28 N2 O6 -","- C68 H112 N8 O24 -","4","1","","Kanazawa, Junichiro; Maeda, Katsuya; Uchiyama, Masanobu","Radical Multicomponent Carboamination of [1.1.1]Propellane.","Journal of the American Chemical Society","2017","","","","","10.1021/jacs.7b11865","","","0.72932","","","0.0698","0.0675","","","0.1758","0.1812","","","","","","1.05","","","","has coordinates","203793","2020-10-21","18:00:00",""
"4126780","10.3286","0.0004","13.2067","0.0005","13.9824","0.0006","95.3184","0.0006","90.4903","0.0006","92.7271","0.0005","1896.77","0.13","100","2","100","2","","","","","","","","5","P -1","-P 1","2","potassium thorium pentanitrate hydrate","","","- H15 K N5 O22.5 Th -","- H14 K N5 O22.5 Th -","- H56 K4 N20 O90 Th4 -","4","2","","Jin, Geng Bang; Lin, Jian; Estes, Shanna L.; Skanthakumar, Suntharalingam; Soderholm, Lynda","Influence of Counter-Cation Hydration Enthalpies on the Formation of Molecular Complexes: A Thorium-Nitrate Example.","Journal of the American Chemical Society","2017","","","","","10.1021/jacs.7b09363","","","0.71073","MoKα","","0.0278","0.0212","","","0.0424","0.0453","","","","","","1.028","","","","has coordinates","203794","2020-10-21","18:00:00",""
"4126781","10.0771","0.0006","12.7431","0.0007","10.5002","0.0006","90","","99.9128","0.0007","90","","1328.24","0.13","100","2","100","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","potassium thorium pentanitrate hydrate","","","- H4 K N5 O17 Th -","- H4 K N5 O17 Th -","- H16 K4 N20 O68 Th4 -","4","1","","Jin, Geng Bang; Lin, Jian; Estes, Shanna L.; Skanthakumar, Suntharalingam; Soderholm, Lynda","Influence of Counter-Cation Hydration Enthalpies on the Formation of Molecular Complexes: A Thorium-Nitrate Example.","Journal of the American Chemical Society","2017","","","","","10.1021/jacs.7b09363","","","0.71073","MoKα","","0.011","0.0105","","","0.0246","0.0248","","","","","","1.152","","","","has coordinates","203794","2020-10-21","18:00:00",""
"4126782","8.3768","0.0003","6.6983","0.0002","12.5535","0.0004","90","","92.041","0.0004","90","","703.93","0.04","100","2","100","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","potassium thorium hexanitrate","","","- K2 N6 O18 Th -","- K2 N6 O18 Th -","- K4 N12 O36 Th2 -","2","0.5","","Jin, Geng Bang; Lin, Jian; Estes, Shanna L.; Skanthakumar, Suntharalingam; Soderholm, Lynda","Influence of Counter-Cation Hydration Enthalpies on the Formation of Molecular Complexes: A Thorium-Nitrate Example.","Journal of the American Chemical Society","2017","","","","","10.1021/jacs.7b09363","","","0.71073","MoKα","","0.0118","0.0099","","","0.0222","0.0231","","","","","","1.086","","","","has coordinates","203794","2020-10-21","18:00:00",""
"4126783","15.6745","0.0004","15.6745","0.0004","19.1893","0.0004","90","","90","","120","","4082.98","0.17","101","2","101","2","","","","","","","","5","R 3 c :H","R 3 -2""c","161","potassium thorium hexanitrate hydrate","","","- H9 K3 N10 O33 Th -","- H9 K3 N10 O33 Th -","- H54 K18 N60 O198 Th6 -","6","0.333333","","Jin, Geng Bang; Lin, Jian; Estes, Shanna L.; Skanthakumar, Suntharalingam; Soderholm, Lynda","Influence of Counter-Cation Hydration Enthalpies on the Formation of Molecular Complexes: A Thorium-Nitrate Example.","Journal of the American Chemical Society","2017","","","","","10.1021/jacs.7b09363","","","0.71073","MoKα","","0.0093","0.0092","","","0.0247","0.0248","","","","","","1.039","","","","has coordinates","203794","2020-10-21","18:00:00",""
"4126784","9.8396","0.0008","9.8396","0.0008","14.3443","0.0012","90","","90","","120","","1202.72","0.17","100","2","100","2","","","","","","","","5","P -3 c 1","-P 3 2""c","165","tetramethylammonium thorium hexanitrate","","","- C8 H24 N8 O18 Th -","- C8 H23.9994 N8 O18 Th -","- C16 H47.9988 N16 O36 Th2 -","2","0.166667","","Jin, Geng Bang; Lin, Jian; Estes, Shanna L.; Skanthakumar, Suntharalingam; Soderholm, Lynda","Influence of Counter-Cation Hydration Enthalpies on the Formation of Molecular Complexes: A Thorium-Nitrate Example.","Journal of the American Chemical Society","2017","","","","","10.1021/jacs.7b09363","","","0.71073","MoKα","","0.0263","0.0157","","","0.0323","0.036","","","","","","1.107","","","","has coordinates","203795","2020-10-21","18:00:00",""
"4126785","18.4488","0.0016","11.6708","0.0016","15.7009","0.0016","90","","107.771","0.0018","90","","3219.3","0.6","100","2","100","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","tetraethylammonium thorium hexanitrate","","","- C16 H40 N8 O18 Th -","- C16 N8 O18 Th -","- C64 N32 O72 Th4 -","4","0.5","","Jin, Geng Bang; Lin, Jian; Estes, Shanna L.; Skanthakumar, Suntharalingam; Soderholm, Lynda","Influence of Counter-Cation Hydration Enthalpies on the Formation of Molecular Complexes: A Thorium-Nitrate Example.","Journal of the American Chemical Society","2017","","","","","10.1021/jacs.7b09363","","","0.71073","MoKα","","0.0487","0.0246","","","0.0681","0.0758","","","","","","1.015","","","","has coordinates","203795","2020-10-21","18:00:00",""
"4126786","10.466","0.0005","19.18","0.0009","11.7254","0.0006","90","","93.3857","0.0007","90","","2349.6","0.2","100","2","100","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","tetrabutylammonium thorium hexanitrate","","","- C32 H72 N8 O18 Th -","- C32 H72 N8 O18 Th -","- C64 H144 N16 O36 Th2 -","2","0.5","","Jin, Geng Bang; Lin, Jian; Estes, Shanna L.; Skanthakumar, Suntharalingam; Soderholm, Lynda","Influence of Counter-Cation Hydration Enthalpies on the Formation of Molecular Complexes: A Thorium-Nitrate Example.","Journal of the American Chemical Society","2017","","","","","10.1021/jacs.7b09363","","","0.71073","MoKα","","0.0249","0.0155","","","0.0327","0.0355","","","","","","1.003","","","","has coordinates","203795","2020-10-21","18:00:00",""
"4126787","8.3236","0.0004","6.8887","0.0004","12.8538","0.0007","90","","92.213","0.0006","90","","736.47","0.07","100","2","100","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","rubidium thorium hexanitrate","","","- N6 O18 Rb2 Th -","- N6 O18 Rb2 Th -","- N12 O36 Rb4 Th2 -","2","0.5","","Jin, Geng Bang; Lin, Jian; Estes, Shanna L.; Skanthakumar, Suntharalingam; Soderholm, Lynda","Influence of Counter-Cation Hydration Enthalpies on the Formation of Molecular Complexes: A Thorium-Nitrate Example.","Journal of the American Chemical Society","2017","","","","","10.1021/jacs.7b09363","","","0.71073","MoKα","","0.0102","0.0097","","","0.0229","0.023","","","","","","1.058","","","","has coordinates","203796","2020-10-21","18:00:00",""
"4126788","8.131","0.0016","7.197","0.0014","13.396","0.003","90","","90.8","0.03","90","","783.8","0.3","100","2","100","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","cesium thorium hexanitrate","","","- Cs2 N6 O18 Th -","- Cs2 N6 O18 Th -","- Cs4 N12 O36 Th2 -","2","0.5","","Jin, Geng Bang; Lin, Jian; Estes, Shanna L.; Skanthakumar, Suntharalingam; Soderholm, Lynda","Influence of Counter-Cation Hydration Enthalpies on the Formation of Molecular Complexes: A Thorium-Nitrate Example.","Journal of the American Chemical Society","2017","","","","","10.1021/jacs.7b09363","","","0.71073","MoKα","","0.0463","0.0319","","","0.0809","0.0859","","","","","","1.03","","","","has coordinates","203796","2020-10-21","18:00:00",""
"4126789","14.6636","0.0005","16.3759","0.0006","14.9374","0.0006","90","","107.749","0.0005","90","","3416.2","0.2","100","2","100","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","ammonium thorium pentanitrate hydrate","","","- H14 N6 O20 Th -","- H14 N6 O20 Th -","- H112 N48 O160 Th8 -","8","2","","Jin, Geng Bang; Lin, Jian; Estes, Shanna L.; Skanthakumar, Suntharalingam; Soderholm, Lynda","Influence of Counter-Cation Hydration Enthalpies on the Formation of Molecular Complexes: A Thorium-Nitrate Example.","Journal of the American Chemical Society","2017","","","","","10.1021/jacs.7b09363","","","0.71073","MoKα","","0.0326","0.0239","","","0.0401","0.042","","","","","","1.14","","","","has coordinates","203796","2020-10-21","18:00:00",""
"4126790","8.2653","0.0005","6.8573","0.0004","12.9515","0.0008","90","","91.3982","0.0008","90","","733.84","0.08","100","2","100","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","ammonium thorium hexanitrate","","","- H8 N8 O18 Th -","- H8 N8 O18 Th -","- H16 N16 O36 Th2 -","2","0.5","","Jin, Geng Bang; Lin, Jian; Estes, Shanna L.; Skanthakumar, Suntharalingam; Soderholm, Lynda","Influence of Counter-Cation Hydration Enthalpies on the Formation of Molecular Complexes: A Thorium-Nitrate Example.","Journal of the American Chemical Society","2017","","","","","10.1021/jacs.7b09363","","","0.71073","MoKα","","0.0149","0.0118","","","0.0267","0.0279","","","","","","1.066","","","","has coordinates","203796","2020-10-21","18:00:00",""
"4126791","11.3448","0.0009","18.975","0.0014","12.4207","0.0009","90","","117.621","0.005","90","","2369.1","0.3","173","2","173","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C56 H58 Fe2 N2 P2 S2 -","- C56 H58 Fe2 N2 P2 S2 -","- C112 H116 Fe4 N4 P4 S4 -","2","0.5","","Zhang, Fanjun; Song, Heng; Zhuang, Xuewen; Tung, Chen-Ho; Wang, Wenguang","Iron-Catalyzed 1,2-Selective Hydroboration of N-Heteroarenes.","Journal of the American Chemical Society","2017","","","","","10.1021/jacs.7b11416","","","0.71","MoKα","","0.1198","0.0582","","","0.1122","0.1384","","","","","","1.042","","","","has coordinates","203947","2020-10-21","18:00:00",""
"4126792","14.8368","0.0003","12.6939","0.0002","17.8201","0.0003","90","","94.864","0.0018","90","","3344.1","0.1","100.01","0.1","100.01","0.1","","","","","","","","5","P 1 2/c 1","-P 2yc","13","","","","- C19 H22 B N O2 -","- C19 H22 B N O2 -","- C152 H176 B8 N8 O16 -","8","2","","Zhang, Fanjun; Song, Heng; Zhuang, Xuewen; Tung, Chen-Ho; Wang, Wenguang","Iron-Catalyzed 1,2-Selective Hydroboration of N-Heteroarenes.","Journal of the American Chemical Society","2017","","","","","10.1021/jacs.7b11416","","x-ray","1.54184","CuKα","","0.05","0.0446","","","0.1145","0.1192","","","","","","1.045","","","","has coordinates","252331","2020-10-21","18:00:00",""
"4126793","20.803","0.004","9.7913","0.0011","15.7087","0.0017","90","","106.209","0.016","90","","3072.5","0.8","192.99","0.1","192.99","0.1","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C37 H36 Fe N P S -","- C37 H36 Fe N P S -","- C148 H144 Fe4 N4 P4 S4 -","4","1","","Zhang, Fanjun; Song, Heng; Zhuang, Xuewen; Tung, Chen-Ho; Wang, Wenguang","Iron-Catalyzed 1,2-Selective Hydroboration of N-Heteroarenes.","Journal of the American Chemical Society","2017","","","","","10.1021/jacs.7b11416","","x-ray","1.54184","CuKα","","0.1142","0.0571","","","0.1176","0.148","","","","","","1.047","","","","has coordinates","203947","2020-10-21","18:00:00",""
"4126794","19.063","0.006","9.464","0.003","16.113","0.005","90","","103.953","0.003","90","","2821.2","1.5","173","2","173","2","","","","","","","","6","C 1 c 1","C -2yc","9","","","","- C33 H34 Fe N P S -","- C33 H34 Fe N P S -","- C132 H136 Fe4 N4 P4 S4 -","4","1","","Zhang, Fanjun; Song, Heng; Zhuang, Xuewen; Tung, Chen-Ho; Wang, Wenguang","Iron-Catalyzed 1,2-Selective Hydroboration of N-Heteroarenes.","Journal of the American Chemical Society","2017","","","","","10.1021/jacs.7b11416","","","0.71","MoKα","","0.0248","0.0238","","","0.0585","0.0592","","","","","","1.047","","","","has coordinates","203947","2020-10-21","18:00:00",""
"4126795","18.5491","0.0004","9.8654","0.0003","15.8227","0.0003","90","","91.771","0.002","90","","2894.08","0.12","172.99","0.1","172.99","0.1","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C34 H36 Fe N P S -","- C34 H36 Fe N P S -","- C136 H144 Fe4 N4 P4 S4 -","4","1","","Zhang, Fanjun; Song, Heng; Zhuang, Xuewen; Tung, Chen-Ho; Wang, Wenguang","Iron-Catalyzed 1,2-Selective Hydroboration of N-Heteroarenes.","Journal of the American Chemical Society","2017","","","","","10.1021/jacs.7b11416","","x-ray","0.71","MoKα","","0.1075","0.083","","","0.1802","0.1963","","","","","","1.152","","","","has coordinates","203947","2020-10-21","18:00:00",""
"4126796","27.252","0.0006","9.6333","0.0002","16.9545","0.0004","90","","116.892","0.001","90","","3969.68","0.16","100","","100.15","","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C23 H23 N3 O4 -","- C23 H23 N3 O4 -","- C184 H184 N24 O32 -","8","1","","Okumura, Mikiko; Shved, Alexander S.; Sarlah, David","Palladium-Catalyzed Dearomative syn-1,4-Carboamination.","Journal of the American Chemical Society","2017","","","","","10.1021/jacs.7b11663","","x-ray","0.71073","MoKα","","0.0445","0.0378","","","0.095","0.1005","","","","","","1.046","","","","has coordinates","204000","2020-10-21","18:00:00",""
"4126797","9.7641","0.0003","12.0253","0.0004","13.432","0.0004","108.779","0.001","108.35","0.001","98.908","0.001","1358.44","0.08","100","2","99.99","","","","","","","","","4","P -1","-P 1","2","","","","- C32 H32 N4 O4 -","- C32 H32 N4 O4 -","- C64 H64 N8 O8 -","2","1","","Okumura, Mikiko; Shved, Alexander S.; Sarlah, David","Palladium-Catalyzed Dearomative syn-1,4-Carboamination.","Journal of the American Chemical Society","2017","","","","","10.1021/jacs.7b11663","","x-ray","0.71073","MoKα","","0.0392","0.0326","","","0.0738","0.0777","","","","","","1.037","","","","has coordinates,has disorder","204001","2020-10-21","18:00:00",""
"4126798","12.859","0.0004","10.0892","0.0003","15.2092","0.0004","90","","102.156","0.0009","90","","1928.95","0.1","100","","100.02","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C22 H21 N3 O4 -","- C22 H21 N3 O4 -","- C88 H84 N12 O16 -","4","1","","Okumura, Mikiko; Shved, Alexander S.; Sarlah, David","Palladium-Catalyzed Dearomative syn-1,4-Carboamination.","Journal of the American Chemical Society","2017","","","","","10.1021/jacs.7b11663","","x-ray","1.54178","CuKα","","0.0391","0.0375","","","0.0911","0.0925","","","","","","1.073","","","","has coordinates","204002","2020-10-21","18:00:00",""
"4126799","11.9039","0.0003","6.01","0.0001","14.3731","0.0003","90","","112.428","0.0008","90","","950.5","0.04","100","","100","","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C21 H25 N3 O3 -","- C21 H25 N3 O3 -","- C42 H50 N6 O6 -","2","1","","Okumura, Mikiko; Shved, Alexander S.; Sarlah, David","Palladium-Catalyzed Dearomative syn-1,4-Carboamination.","Journal of the American Chemical Society","2017","","","","","10.1021/jacs.7b11663","","x-ray","1.54178","CuKα","","0.0335","0.0308","","","0.0697","0.0715","","","","","","1.095","","","","has coordinates","204003","2020-10-21","18:00:00",""
"4126800","14.6098","0.0004","9.8496","0.0003","12.5608","0.0004","90","","100.906","0.001","90","","1774.86","0.09","100","","99.99","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C20 H23 N3 O3 -","- C20 H23 N3 O3 -","- C80 H92 N12 O12 -","4","1","","Okumura, Mikiko; Shved, Alexander S.; Sarlah, David","Palladium-Catalyzed Dearomative syn-1,4-Carboamination.","Journal of the American Chemical Society","2017","","","","","10.1021/jacs.7b11663","","x-ray","0.71073","MoKα","","0.047","0.0411","","","0.1018","0.1061","","","","","","1.024","","","","has coordinates","204005","2020-10-21","18:00:00",""
"4126801","10.6521","0.0004","12.9904","0.0005","15.8802","0.0007","109.171","0.001","91.791","0.001","101.31","0.001","2024.37","0.14","99.99","","99.99","","","","","","","","","5","P -1","-P 1","2","","","","- C45 H44 Cl2 N6 O6 -","- C45 H44 Cl2 N6 O6 -","- C90 H88 Cl4 N12 O12 -","2","1","","Okumura, Mikiko; Shved, Alexander S.; Sarlah, David","Palladium-Catalyzed Dearomative syn-1,4-Carboamination.","Journal of the American Chemical Society","2017","","","","","10.1021/jacs.7b11663","","x-ray","0.71073","MoKα","","0.0479","0.0398","","","0.0885","0.0932","","","","","","1.039","","","","has coordinates,has disorder","204006","2020-10-21","18:00:00",""
"4126802","23.3397","0.0005","10.484","0.0002","17.3377","0.0004","90","","110.173","0.001","90","","3982.17","0.15","100","","100","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C21.5 H26 Cl N3 O3 -","- C21.5 H26 Cl N3 O3 -","- C172 H208 Cl8 N24 O24 -","8","2","","Okumura, Mikiko; Shved, Alexander S.; Sarlah, David","Palladium-Catalyzed Dearomative syn-1,4-Carboamination.","Journal of the American Chemical Society","2017","","","","","10.1021/jacs.7b11663","","x-ray","0.71073","MoKα","","0.0671","0.0453","","","0.1063","0.1186","","","","","","1.013","","","","has coordinates,has disorder","254431","2020-10-21","18:00:00",""
"4126803","22.004","0.0009","9.7666","0.0004","17.3783","0.0007","90","","116.729","0.001","90","","3335.6","0.2","100","2","100.01","","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C18 H19 N3 O4 -","- C18 H19 N3 O4 -","- C144 H152 N24 O32 -","8","1","","Okumura, Mikiko; Shved, Alexander S.; Sarlah, David","Palladium-Catalyzed Dearomative syn-1,4-Carboamination.","Journal of the American Chemical Society","2017","","","","","10.1021/jacs.7b11663","","x-ray","0.71073","MoKα","","0.049","0.0376","","","0.0844","0.0898","","","","","","1.044","","","","has coordinates","204008","2020-10-21","18:00:00",""
"4126804","14.9159","0.0006","17.9452","0.0008","16.0708","0.0007","90","","98.353","0.001","90","","4256","0.3","100","2","100","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C42 H74 B N Si4 -","- C42 H74 B N Si4 -","- C168 H296 B4 N4 Si16 -","4","1","","Kosai, Tomoyuki; Iwamoto, Takeaki","A Stable Push-Pull Disilene: Substantial Donor-Acceptor Interactions through the Si=Si Double Bond.","Journal of the American Chemical Society","2017","","","","","10.1021/jacs.7b09989","","","0.71073","MoKα","","0.0563","0.0465","","","0.1163","0.126","","","","","","1.023","","","","has coordinates,has disorder","204023","2020-10-21","18:00:00",""
"4126805","9.4276","0.0002","20.6936","0.0004","21.2036","0.0004","89.986","0.001","86.404","0.001","79.816","0.001","4063.19","0.14","100","2","100","2","","","","","","","","3","P -1","-P 1","2","","","","- C34 H70 Si6 -","- C34 H70 Si6 -","- C136 H280 Si24 -","4","2","","Kosai, Tomoyuki; Iwamoto, Takeaki","A Stable Push-Pull Disilene: Substantial Donor-Acceptor Interactions through the Si=Si Double Bond.","Journal of the American Chemical Society","2017","","","","","10.1021/jacs.7b09989","","","0.71073","MoKα","","0.0543","0.0448","","","0.1175","0.124","","","","","","1.011","","","","has coordinates","204023","2020-10-21","18:00:00",""
"4126806","9.4328","0.0003","15.3231","0.0006","28.7059","0.001","90","","95.797","0.001","90","","4127.9","0.3","100","2","100","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C38 H68 K N O Si4 -","- C38 H68 K N O Si4 -","- C152 H272 K4 N4 O4 Si16 -","4","1","","Kosai, Tomoyuki; Iwamoto, Takeaki","A Stable Push-Pull Disilene: Substantial Donor-Acceptor Interactions through the Si=Si Double Bond.","Journal of the American Chemical Society","2017","","","","","10.1021/jacs.7b09989","","","0.71073","MoKα","","0.0572","0.0438","","","0.1086","0.121","","","","","","1.026","","","","has coordinates,has disorder","204023","2020-10-21","18:00:00",""
"4126807","15.3152","0.0007","21.6095","0.0011","23.3982","0.0011","90","","90","","90","","7743.7","0.6","100","2","100","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C34 H60 Cl3 N Si4 -","- C34 H60 Cl3 N Si4 -","- C272 H480 Cl24 N8 Si32 -","8","1","","Kosai, Tomoyuki; Iwamoto, Takeaki","A Stable Push-Pull Disilene: Substantial Donor-Acceptor Interactions through the Si=Si Double Bond.","Journal of the American Chemical Society","2017","","","","","10.1021/jacs.7b09989","","","0.71073","MoKα","","0.0912","0.0561","","","0.0964","0.1055","","","","","","1.074","","","","has coordinates","204023","2020-10-21","18:00:00",""
"4126808","20.978","0.0005","22.2093","0.0005","30.0446","0.0007","90","","105.289","0.001","90","","13502.6","0.5","100","2","100","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C50 H38 B2 N2 O2 -","- C50 H38 B2 N2 O2 -","- C600 H456 B24 N24 O24 -","12","3","","Liu, Kanglei; Lalancette, Roger A.; Jäkle, Frieder","B-N Lewis Pair Functionalization of Anthracene: Structural Dynamics, Optoelectronic Properties, and O2 Sensitization.","Journal of the American Chemical Society","2017","","","","","10.1021/jacs.7b11062","","","1.54178","CuKα","","0.1607","0.0897","","","0.2339","0.2909","","","","","","0.992","","","","has coordinates","204038","2020-10-21","18:00:00",""
"4126809","19.246","0.004","9.4695","0.0018","11.785","0.002","90","","117.944","0.004","90","","1897.4","0.6","100","2","100","2","","","","","","","","3","C 1 2/c 1","-C 2yc","15","","","","- C26 H20 N2 -","- C26 H20 N2 -","- C104 H80 N8 -","4","0.5","","Liu, Kanglei; Lalancette, Roger A.; Jäkle, Frieder","B-N Lewis Pair Functionalization of Anthracene: Structural Dynamics, Optoelectronic Properties, and O2 Sensitization.","Journal of the American Chemical Society","2017","","","","","10.1021/jacs.7b11062","","","1.54178","CuKα","","0.0405","0.0371","","","0.0994","0.1022","","","","","","1.093","","","","has coordinates","204039","2020-10-21","18:00:00",""
"4126810","12.6874","0.0006","8.1861","0.0004","27.1825","0.0013","90","","99.867","0.003","90","","2781.4","0.2","100","2","100","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C34 H38 B2 N2 -","- C34 H38 B2 N2 -","- C136 H152 B8 N8 -","4","1","","Liu, Kanglei; Lalancette, Roger A.; Jäkle, Frieder","B-N Lewis Pair Functionalization of Anthracene: Structural Dynamics, Optoelectronic Properties, and O2 Sensitization.","Journal of the American Chemical Society","2017","","","","","10.1021/jacs.7b11062","","","1.54178","CuKα","","0.0745","0.0637","","","0.1591","0.1655","","","","","","1.076","","","","has coordinates","204040","2020-10-21","18:00:00",""
"4126811","13.0208","0.0014","13.0208","0.0014","15.297","0.003","90","","90","","120","","2246","0.6","296","2","296","2","","","","","","","","5","R 3 2 :H","R 3 2""","155","","","","- B15 K7 Lu2 O30 Sr -","- B15 K7 Lu2 O30 Sr -","- B45 K21 Lu6 O90 Sr3 -","3","0.166667","","Mutailipu, Miriding; Xie, Zhiqing; Su, Xin; Zhang, Min; Wang, Ying; Yang, Zhihua; Janjua, Muhammad Ramzan Saeed Ashraf; Pan, Shilie","Chemical Cosubstitution-Oriented Design of Rare-Earth Borates as Potential Ultraviolet Nonlinear Optical Materials.","Journal of the American Chemical Society","2017","","","","","10.1021/jacs.7b11263","","","0.71073","MoKα","","0.0211","0.0205","","","0.0587","0.059","","","","","","1.095","","","","has coordinates","204041","2020-10-21","18:00:00",""
"4126812","13.1142","0.0018","13.1142","0.0018","15.319","0.004","90","","90","","120","","2281.6","0.7","296","2","296","2","","","","","","","","5","R 3 2 :H","R 3 2""","155","","","","- B15 K7 O30 Sr Y2 -","- B15 K7 O30 Sr Y2 -","- B45 K21 O90 Sr3 Y6 -","3","0.166667","","Mutailipu, Miriding; Xie, Zhiqing; Su, Xin; Zhang, Min; Wang, Ying; Yang, Zhihua; Janjua, Muhammad Ramzan Saeed Ashraf; Pan, Shilie","Chemical Cosubstitution-Oriented Design of Rare-Earth Borates as Potential Ultraviolet Nonlinear Optical Materials.","Journal of the American Chemical Society","2017","","","","","10.1021/jacs.7b11263","","","0.71073","MoKα","","0.0323","0.0265","","","0.0575","0.0598","","","","","","0.961","","","","has coordinates","204042","2020-10-21","18:00:00",""
"4126813","13.331","0.002","13.331","0.002","14.91","0.005","90","","90","","120","","2294.7","0.9","296","2","296","2","","","","","","","","5","R 3 2 :H","R 3 2""","155","","","","- B15 Bi2 K7 O30 Pb -","- B15 Bi2 K7 O30 Pb -","- B45 Bi6 K21 O90 Pb3 -","3","0.166667","","Mutailipu, Miriding; Xie, Zhiqing; Su, Xin; Zhang, Min; Wang, Ying; Yang, Zhihua; Janjua, Muhammad Ramzan Saeed Ashraf; Pan, Shilie","Chemical Cosubstitution-Oriented Design of Rare-Earth Borates as Potential Ultraviolet Nonlinear Optical Materials.","Journal of the American Chemical Society","2017","","","","","10.1021/jacs.7b11263","","","0.71073","MoKα","","0.0435","0.0426","","","0.1182","0.1194","","","","","","1.134","","","","has coordinates","204043","2020-10-21","18:00:00",""
"4126814","13.142","0.002","13.142","0.002","15.099","0.005","90","","90","","120","","2258.4","0.9","296","2","296.15","","","","","","","","","4","R 3 2 :H","R 3 2""","155","","","","- B15 K7.5 O30 Y2.5 -","- B15 K7.5 O30 Y2.5 -","- B45 K22.5 O90 Y7.5 -","3","0.166667","","Mutailipu, Miriding; Xie, Zhiqing; Su, Xin; Zhang, Min; Wang, Ying; Yang, Zhihua; Janjua, Muhammad Ramzan Saeed Ashraf; Pan, Shilie","Chemical Cosubstitution-Oriented Design of Rare-Earth Borates as Potential Ultraviolet Nonlinear Optical Materials.","Journal of the American Chemical Society","2017","","","","","10.1021/jacs.7b11263","","","0.71073","MoKα","","0.0546","0.0391","","","0.0849","0.0914","","","","","","1.0162","","","","has coordinates","278046","2022-09-21","15:45:41",""
"4126815","13.2182","0.0018","13.2182","0.0018","14.949","0.004","90","","90","","120","","2262","0.7","296","2","296","2","","","","","","","","5","R 3 2 :H","R 3 2""","155","","","","- B15 Ca K7 O30 Y2 -","- B15 Ca K7 O30 Y2 -","- B45 Ca3 K21 O90 Y6 -","3","0.166667","","Mutailipu, Miriding; Xie, Zhiqing; Su, Xin; Zhang, Min; Wang, Ying; Yang, Zhihua; Janjua, Muhammad Ramzan Saeed Ashraf; Pan, Shilie","Chemical Cosubstitution-Oriented Design of Rare-Earth Borates as Potential Ultraviolet Nonlinear Optical Materials.","Journal of the American Chemical Society","2017","","","","","10.1021/jacs.7b11263","","","0.71073","MoKα","","0.027","0.0235","","","0.0475","0.0486","","","","","","0.941","","","","has coordinates","204045","2020-10-21","18:00:00",""
"4126816","12.9705","0.0015","12.9705","0.0015","15.651","0.004","90","","90","","120","","2280.3","0.7","296","2","296","2","","","","","","","","5","R 3 2 :H","R 3 2""","155","","","","- B15 Ba K7 Lu2 O30 -","- B15 Ba K7 Lu2 O30 -","- B45 Ba3 K21 Lu6 O90 -","3","0.166667","","Mutailipu, Miriding; Xie, Zhiqing; Su, Xin; Zhang, Min; Wang, Ying; Yang, Zhihua; Janjua, Muhammad Ramzan Saeed Ashraf; Pan, Shilie","Chemical Cosubstitution-Oriented Design of Rare-Earth Borates as Potential Ultraviolet Nonlinear Optical Materials.","Journal of the American Chemical Society","2017","","","","","10.1021/jacs.7b11263","","","0.71073","MoKα","","0.0365","0.0351","","","0.0938","0.0947","","","","","","1.112","","","","has coordinates","204046","2020-10-21","18:00:00",""
"4126817","13.2512","0.0019","13.2512","0.0019","15.288","0.004","90","","90","","120","","2324.8","0.8","296","2","296","2","","","","","","","","5","R 3 2 :H","R 3 2""","155","","","","- B15 Bi2 K7 O30 Sr -","- B15 Bi2 K7 O30 Sr -","- B45 Bi6 K21 O90 Sr3 -","3","0.166667","","Mutailipu, Miriding; Xie, Zhiqing; Su, Xin; Zhang, Min; Wang, Ying; Yang, Zhihua; Janjua, Muhammad Ramzan Saeed Ashraf; Pan, Shilie","Chemical Cosubstitution-Oriented Design of Rare-Earth Borates as Potential Ultraviolet Nonlinear Optical Materials.","Journal of the American Chemical Society","2017","","","","","10.1021/jacs.7b11263","","","0.71073","MoKα","","0.0217","0.0195","","","0.0437","0.0448","","","","","","1.068","","","","has coordinates","204047","2020-10-21","18:00:00",""
"4126818","13.1433","0.001","13.1433","0.001","14.905","0.002","90","","90","","120","","2229.8","0.4","296","2","296","2","","","","","","","","5","R 3 2 :H","R 3 2""","155","","","","- B15 Ca K7 Lu2 O30 -","- B15 Ca K7 Lu2 O30 -","- B45 Ca3 K21 Lu6 O90 -","3","0.166667","","Mutailipu, Miriding; Xie, Zhiqing; Su, Xin; Zhang, Min; Wang, Ying; Yang, Zhihua; Janjua, Muhammad Ramzan Saeed Ashraf; Pan, Shilie","Chemical Cosubstitution-Oriented Design of Rare-Earth Borates as Potential Ultraviolet Nonlinear Optical Materials.","Journal of the American Chemical Society","2017","","","","","10.1021/jacs.7b11263","","","0.71073","MoKα","","0.0221","0.0213","","","0.0569","0.0575","","","","","","1.096","","","","has coordinates","204048","2020-10-21","18:00:00",""
"4126819","13.265","0.006","13.265","0.008","15.282","0.014","90","","90","","120","","2329","3","296","2","296.15","","","","","","","","","4","R 3 2 :H","R 3 2""","155","","","","- B15 Gd2.5 K7.5 O30 -","- B15 Gd2.5 K7.5 O30 -","- B45 Gd7.5 K22.5 O90 -","3","0.166667","","Mutailipu, Miriding; Xie, Zhiqing; Su, Xin; Zhang, Min; Wang, Ying; Yang, Zhihua; Janjua, Muhammad Ramzan Saeed Ashraf; Pan, Shilie","Chemical Cosubstitution-Oriented Design of Rare-Earth Borates as Potential Ultraviolet Nonlinear Optical Materials.","Journal of the American Chemical Society","2017","","","","","10.1021/jacs.7b11263","","","0.71073","MoKα","","0.0223","0.0211","","","0.0437","0.0445","","","","","","1.0298","","","","has coordinates","278046","2022-09-21","15:45:41",""
"4126820","13.31","0.004","13.31","0.004","15.005","0.008","90","","90","","120","","2302.1","1.6","296","2","296","2","","","","","","","","5","R 3 2 :H","R 3 2""","155","","","","- B15 Ca Gd2 K7 O30 -","- B15 Ca Gd2 K7 O30 -","- B45 Ca3 Gd6 K21 O90 -","3","0.166667","","Mutailipu, Miriding; Xie, Zhiqing; Su, Xin; Zhang, Min; Wang, Ying; Yang, Zhihua; Janjua, Muhammad Ramzan Saeed Ashraf; Pan, Shilie","Chemical Cosubstitution-Oriented Design of Rare-Earth Borates as Potential Ultraviolet Nonlinear Optical Materials.","Journal of the American Chemical Society","2017","","","","","10.1021/jacs.7b11263","","","0.71073","MoKα","","0.0242","0.0238","","","0.0624","0.0627","","","","","","1.056","","","","has coordinates","204050","2020-10-21","18:00:00",""
"4126821","12.9884","0.0015","12.9884","0.0015","15.718","0.004","90","","90","","120","","2296.4","0.7","296","2","296","2","","","","","","","","5","R 3 2 :H","R 3 2""","155","","","","- B15 Ba K7 O30 Y2 -","- B15 Ba K7 O30 Y2 -","- B45 Ba3 K21 O90 Y6 -","3","0.166667","","Mutailipu, Miriding; Xie, Zhiqing; Su, Xin; Zhang, Min; Wang, Ying; Yang, Zhihua; Janjua, Muhammad Ramzan Saeed Ashraf; Pan, Shilie","Chemical Cosubstitution-Oriented Design of Rare-Earth Borates as Potential Ultraviolet Nonlinear Optical Materials.","Journal of the American Chemical Society","2017","","","","","10.1021/jacs.7b11263","","","0.71073","MoKα","","0.0549","0.0508","","","0.1367","0.14","","","","","","1.099","","","","has coordinates","204051","2020-10-21","18:00:00",""
"4126822","13.148","0.002","13.148","0.002","15.417","0.005","90","","90","","120","","2308.1","0.9","296","2","296","2","","","","","","","","5","R 3 2 :H","R 3 2""","155","","","","- B15 Gd2 K7 O30 Sr -","- B15 Gd2 K7 O30 Sr -","- B45 Gd6 K21 O90 Sr3 -","3","0.166667","","Mutailipu, Miriding; Xie, Zhiqing; Su, Xin; Zhang, Min; Wang, Ying; Yang, Zhihua; Janjua, Muhammad Ramzan Saeed Ashraf; Pan, Shilie","Chemical Cosubstitution-Oriented Design of Rare-Earth Borates as Potential Ultraviolet Nonlinear Optical Materials.","Journal of the American Chemical Society","2017","","","","","10.1021/jacs.7b11263","","","0.71073","MoKα","","0.0206","0.0192","","","0.0391","0.0396","","","","","","1.055","","","","has coordinates","204052","2020-10-21","18:00:00",""
"4126823","16.4521","0.0005","18.7842","0.0007","28.0892","0.0011","96.665","0.001","96.453","0.001","111.654","0.001","7899.5","0.5","123","2","123","2","","","","","","","","4","P -1","-P 1","2","","","","- C60 H70 Mg2 N4 -","- C60 H70 Mg2 N4 -","- C360 H420 Mg12 N24 -","6","3","","Boutland, Aaron; Carroll, Ashlea; Alvarez Lamsfus, Carlos; Stasch, Andreas; Maron, Laurent; Jones, Cameron","Reversible Insertion of a C=C Bond into Magnesium(I) Dimers: Generation of Highly Active 1,2-Dimagnesioethane Compounds.","Journal of the American Chemical Society","2017","","","","","10.1021/jacs.7b11368","","","0.71073","MoKα","","0.1396","0.0692","","","0.1234","0.1579","","","","","","1.068","","","","has coordinates","204084","2020-10-21","18:00:00",""
"4126824","29.3979","0.0007","15.6933","0.0007","26.8044","0.0008","90","","90.613","0.002","90","","12365.5","0.7","123","2","123","2","","","","","","","","5","I 1 2/a 1","-I 2ya","15","","","","- C146 H166 Mg4 N8 O4 -","- C146 H166 Mg4 N8 O4 -","- C584 H664 Mg16 N32 O16 -","4","0.5","","Boutland, Aaron; Carroll, Ashlea; Alvarez Lamsfus, Carlos; Stasch, Andreas; Maron, Laurent; Jones, Cameron","Reversible Insertion of a C=C Bond into Magnesium(I) Dimers: Generation of Highly Active 1,2-Dimagnesioethane Compounds.","Journal of the American Chemical Society","2017","","","","","10.1021/jacs.7b11368","","","1.54184","CuKα","","0.1065","0.0744","","","0.1941","0.2265","","","","","","1.037","","","","has coordinates,has disorder","204085","2020-10-21","18:00:00",""
"4126825","14.1072","0.0012","7.3112","0.0006","15.0154","0.0013","90","","109.164","0.0012","90","","1462.9","0.2","130","2","130","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C16 H24 O4 -","- C16 H24 O4 -","- C64 H96 O16 -","4","1","","Ye, Qinda; Qu, Pei; Snyder, Scott A.","Total Syntheses of Scaparvins B, C, and D Enabled by a Key C‒H Functionalization","Journal of the American Chemical Society","2017","","","","","10.1021/jacs.7b06185","","","0.71073","MoKα","","0.0445","0.0393","","","0.1087","0.113","","","","","","1.049","","","","has coordinates","204162","2020-10-21","18:00:00",""
"4126826","23.0277","0.001","7.3247","0.0004","30.5183","0.0017","90","","97.474","0.003","90","","5103.8","0.5","150","2","150","2","","","","","","","","6","P 1 2/n 1","-P 2yac","13","","","","- C41 H69 B2 Fe N9 O6 -","- C41 H69 B2 Fe N9 O6 -","- C164 H276 B8 Fe4 N36 O24 -","4","1","","Kiernicki, John J.; Zeller, Matthias; Szymczak, Nathaniel K.","Hydrazine Capture and N-N Bond Cleavage at Iron Enabled by Flexible Appended Lewis Acids.","Journal of the American Chemical Society","2017","","","","","10.1021/jacs.7b11465","","","1.54178","CuKα","","0.1282","0.0877","","","0.2017","0.2187","","","","","","1.024","","","","has coordinates,has disorder","204184","2020-10-21","18:00:00",""
"4126827","11.6941","0.0005","14.2839","0.0007","15.016","0.0007","111.275","0.003","107.007","0.002","98.892","0.003","2137.29","0.19","150","2","150","2","","","","","","","","6","P -1","-P 1","2","","","","- C41 H67 B2 Cl2 Fe N7 -","- C41 H67 B2 Cl2 Fe N7 -","- C82 H134 B4 Cl4 Fe2 N14 -","2","1","","Kiernicki, John J.; Zeller, Matthias; Szymczak, Nathaniel K.","Hydrazine Capture and N-N Bond Cleavage at Iron Enabled by Flexible Appended Lewis Acids.","Journal of the American Chemical Society","2017","","","","","10.1021/jacs.7b11465","","","1.54178","CuKα","","0.0484","0.0431","","","0.1074","0.1106","","","","","","1.063","","","","has coordinates","204185","2020-10-21","18:00:00",""
"4126828","15.8817","0.0007","16.285","0.0007","20.1341","0.0009","68.602","0.002","76.235","0.003","84.515","0.002","4708.9","0.4","150","2","150","2","","","","","","","","6","P -1","-P 1","2","","","","- C41.89 H72.77 B2 Cl3.77 Fe N9 -","- C41.885 H72.77 B2 Cl3.77 Fe N9 -","- C167.54 H291.08 B8 Cl15.08 Fe4 N36 -","4","2","","Kiernicki, John J.; Zeller, Matthias; Szymczak, Nathaniel K.","Hydrazine Capture and N-N Bond Cleavage at Iron Enabled by Flexible Appended Lewis Acids.","Journal of the American Chemical Society","2017","","","","","10.1021/jacs.7b11465","","","1.54178","CuKα","","0.0949","0.0884","","","0.2276","0.2384","","","","","","1.021","","","","has coordinates,has disorder","204186","2020-10-21","18:00:00",""
"4126829","10.8379","0.0009","16.9517","0.0011","19.8869","0.0015","105.865","0.003","105.194","0.002","105.175","0.002","3165.3","0.4","150","2","150","2","","","","","","","","6","P -1","-P 1","2","","","","- C59 H85 B2 Fe N7 O2.78 -","- C59 H85 B2 Fe N7 O2.783 -","- C118 H170 B4 Fe2 N14 O5.566 -","2","1","","Kiernicki, John J.; Zeller, Matthias; Szymczak, Nathaniel K.","Hydrazine Capture and N-N Bond Cleavage at Iron Enabled by Flexible Appended Lewis Acids.","Journal of the American Chemical Society","2017","","","","","10.1021/jacs.7b11465","","","0.71073","MoKα","","0.0867","0.0674","","","0.15","0.165","","","","","","1.07","","","","has coordinates,has disorder","204187","2020-10-21","18:00:00",""
"4126830","16.1611","0.0005","16.1611","0.0005","16.575","0.0006","90","","90","","90","","4329.1","0.2","150","2","150","2","","","","","","","","6","P 43 21 2","P 4nw 2abw","96","","","","- C42 H69 B2 Cl2 Fe N7 -","- C42 H69 B2 Cl2 Fe N7 -","- C168 H276 B8 Cl8 Fe4 N28 -","4","0.5","","Kiernicki, John J.; Zeller, Matthias; Szymczak, Nathaniel K.","Hydrazine Capture and N-N Bond Cleavage at Iron Enabled by Flexible Appended Lewis Acids.","Journal of the American Chemical Society","2017","","","","","10.1021/jacs.7b11465","","","0.71073","MoKα","","0.0817","0.0516","","","0.1151","0.1365","","","","","","1.083","","","","has coordinates,has disorder","204188","2020-10-21","18:00:00",""
"4126831","19.9291","0.0008","20.5205","0.0008","10.2091","0.0004","90","","96.6474","0.0019","90","","4147","0.3","150","2","150","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C41 H63 B2 Cl2 N5 Zn -","- C41 H63 B2 Cl2 N5 Zn -","- C164 H252 B8 Cl8 N20 Zn4 -","4","1","","Kiernicki, John J.; Zeller, Matthias; Szymczak, Nathaniel K.","Hydrazine Capture and N-N Bond Cleavage at Iron Enabled by Flexible Appended Lewis Acids.","Journal of the American Chemical Society","2017","","","","","10.1021/jacs.7b11465","","","1.54178","CuKα","","0.0927","0.0753","","","0.2091","0.2287","","","","","","1.085","","","","has coordinates","204189","2020-10-21","18:00:00",""
"4126832","15.5028","0.0003","39.8514","0.0007","9.9718","0.0002","90","","104.45","0.0008","90","","5965.8","0.2","150","2","150","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C27 H41 Br2 Fe N5 -","- C27 H41 Br2 Fe N5 -","- C216 H328 Br16 Fe8 N40 -","8","2","","Kiernicki, John J.; Zeller, Matthias; Szymczak, Nathaniel K.","Hydrazine Capture and N-N Bond Cleavage at Iron Enabled by Flexible Appended Lewis Acids.","Journal of the American Chemical Society","2017","","","","","10.1021/jacs.7b11465","","","1.54178","CuKα","","0.041","0.0367","","","0.0911","0.0937","","","","","","1.042","","","","has coordinates","204190","2020-10-21","18:00:00",""
"4126833","13.3953","0.0004","14.2668","0.0004","16.565","0.0005","99.4365","0.0013","110.118","0.0012","100.464","0.0014","2833.89","0.15","150","2","150","2","","","","","","","","7","P -1","-P 1","2","","","","- C53 H93 B2 Cl2 Fe N7 O3 -","- C53 H93 B2 Cl2 Fe N7 O3 -","- C106 H186 B4 Cl4 Fe2 N14 O6 -","2","1","","Kiernicki, John J.; Zeller, Matthias; Szymczak, Nathaniel K.","Hydrazine Capture and N-N Bond Cleavage at Iron Enabled by Flexible Appended Lewis Acids.","Journal of the American Chemical Society","2017","","","","","10.1021/jacs.7b11465","","","1.54178","CuKα","","0.0552","0.0496","","","0.1347","0.1391","","","","","","1.084","","","","has coordinates,has disorder","204191","2020-10-21","18:00:00",""
"4126834","11.6502","0.0004","14.2465","0.0005","15.0298","0.0005","111.319","0.003","107.231","0.003","98.485","0.003","2126.27","0.15","85","2","85","2","","","","","","","","6","P -1","-P 1","2","","","","- C41 H67 B2 Cl2 N7 Zn -","- C41 H67 B2 Cl2 N7 Zn -","- C82 H134 B4 Cl4 N14 Zn2 -","2","1","","Kiernicki, John J.; Zeller, Matthias; Szymczak, Nathaniel K.","Hydrazine Capture and N-N Bond Cleavage at Iron Enabled by Flexible Appended Lewis Acids.","Journal of the American Chemical Society","2017","","","","","10.1021/jacs.7b11465","","","1.54178","CuKα","","0.062","0.0573","","","0.1733","0.1869","","","","","","1.058","","","","has coordinates","204192","2020-10-21","18:00:00",""
"4126835","15.9919","0.0014","16.2738","0.0014","20.0906","0.0017","68.588","0.003","77.949","0.003","84.373","0.003","4759","0.7","150","2","150","2","","","","","","","","7","P -1","-P 1","2","","","","- C41.97 H72.95 B2 Br2 Cl1.95 Fe N9 -","- C41.9735 H72.947 B2 Br2 Cl1.947 Fe N9 -","- C167.894 H291.788 B8 Br8 Cl7.788 Fe4 N36 -","4","2","","Kiernicki, John J.; Zeller, Matthias; Szymczak, Nathaniel K.","Hydrazine Capture and N-N Bond Cleavage at Iron Enabled by Flexible Appended Lewis Acids.","Journal of the American Chemical Society","2017","","","","","10.1021/jacs.7b11465","","","0.71073","MoKα","","0.1327","0.0724","","","0.122","0.1437","","","","","","1.166","","","","has coordinates,has disorder","204193","2020-10-21","18:00:00",""
"4126836","19.8752","0.0006","20.452","0.0006","10.2304","0.0005","90","","96.716","0.003","90","","4130","0.3","85","2","85","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C41 H63 B2 Cl2 Fe N5 -","- C41 H63 B2 Cl2 Fe N5 -","- C164 H252 B8 Cl8 Fe4 N20 -","4","1","","Kiernicki, John J.; Zeller, Matthias; Szymczak, Nathaniel K.","Hydrazine Capture and N-N Bond Cleavage at Iron Enabled by Flexible Appended Lewis Acids.","Journal of the American Chemical Society","2017","","","","","10.1021/jacs.7b11465","","","1.54178","CuKα","","0.1035","0.0692","","","0.1684","0.1962","","","","","","1.028","","","","has coordinates","204194","2020-10-21","18:00:00",""
"4126837","17.465","0.0007","13.1425","0.0006","21.1101","0.0008","90","","107.985","0.0015","90","","4608.7","0.3","150","2","150","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C42 H69 B2 Br2 Cl2 Fe N7 -","- C42 H69 B2 Br2 Cl2 Fe N7 -","- C168 H276 B8 Br8 Cl8 Fe4 N28 -","4","1","","Kiernicki, John J.; Zeller, Matthias; Szymczak, Nathaniel K.","Hydrazine Capture and N-N Bond Cleavage at Iron Enabled by Flexible Appended Lewis Acids.","Journal of the American Chemical Society","2017","","","","","10.1021/jacs.7b11465","","","0.71073","MoKα","","0.0587","0.0352","","","0.0821","0.0924","","","","","","1.028","","","","has coordinates,has disorder","204195","2020-10-21","18:00:00",""
"4126838","18.8648","0.0006","8.4501","0.0002","14.5343","0.0005","90","","108.757","0.001","90","","2193.86","0.12","100","2","100","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C30 H22 B2 N4 -","- C30 H22 B2 N4 -","- C120 H88 B8 N16 -","4","0.5","","Lu, Zhenpin; Quanz, Henrik; Burghaus, Olaf; Hofmann, Jonas David; Logemann, Christian; Beeck, Sebastian; Schreiner, Peter R.; Wegner, Hermann A.","A Stable Organic Neutral Diradical via Reversible Coordination.","Journal of the American Chemical Society","2017","","","","","10.1021/jacs.7b11823","","","0.71073","MoKα","","0.0652","0.0516","","","0.1219","0.1296","","","","","","1.067","","","","has coordinates","204243","2020-10-21","18:00:00",""
"4126839","8.1289","0.0017","11.214","0.002","20.239","0.005","84.892","0.011","83.6167","0.001","70.879","0.008","1729.6","0.6","93","","93","","","","","","","","","4","P -1","-P 1","2","","","","- C21 H20 As P -","- C21 H20 As P -","- C84 H80 As4 P4 -","4","2","","Taylor, Laurence J.; Bühl, Michael; Chalmers, Brian A.; Ray, Matthew J.; Wawrzyniak, Piotr; Walton, John C.; Cordes, David B.; Slawin, Alexandra M. Z.; Woollins, J. Derek; Kilian, Petr","Dealkanative Main Group Couplings Across the peri-Gap.","Journal of the American Chemical Society","2017","","","","","10.1021/jacs.7b08682","","","0.71075","MoKα","","0.0335","0.0278","","","0.0645","0.0659","","","","","","0.919","","","","has coordinates","204244","2020-10-21","18:00:00",""
"4126840","14.908","0.006","8.201","0.003","15.681","0.004","90","","113.69","0.03","90","","1755.6","1.1","173","","173","","","","","","","","","3","I 1 2/a 1","-I 2ya","15","","","","- C10 H8 P2 -","- C10 H8 P2 -","- C80 H64 P16 -","8","1","","Taylor, Laurence J.; Bühl, Michael; Chalmers, Brian A.; Ray, Matthew J.; Wawrzyniak, Piotr; Walton, John C.; Cordes, David B.; Slawin, Alexandra M. Z.; Woollins, J. Derek; Kilian, Petr","Dealkanative Main Group Couplings Across the peri-Gap.","Journal of the American Chemical Society","2017","","","","","10.1021/jacs.7b08682","","","0.71075","MoKα","","0.1004","0.0445","","","0.0746","0.0899","","","","","","1.034","","","","has coordinates","204245","2020-10-21","18:00:00",""
"4126841","9.913","0.006","10.208","0.005","12.305","0.007","95.38","0.04","106.68","0.03","117","0.04","1025.5","1.1","173","","173","","","","","","","","","4","P -1","-P 1","2","","","","- C25 H24 Fe P2 -","- C25 H24 Fe P2 -","- C50 H48 Fe2 P4 -","2","1","","Taylor, Laurence J.; Bühl, Michael; Chalmers, Brian A.; Ray, Matthew J.; Wawrzyniak, Piotr; Walton, John C.; Cordes, David B.; Slawin, Alexandra M. Z.; Woollins, J. Derek; Kilian, Petr","Dealkanative Main Group Couplings Across the peri-Gap.","Journal of the American Chemical Society","2017","","","","","10.1021/jacs.7b08682","","","0.71075","MoKα","","","0.0273","","","","0.0726","","","","","","1.028","","","","has coordinates","204246","2020-10-21","18:00:00",""
"4126842","15.974","0.003","7.6238","0.0013","18.084","0.004","90","","106.337","0.005","90","","2113.4","0.7","93","","93","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C24 H27 As Cl P -","- C24 H27 As Cl P -","- C96 H108 As4 Cl4 P4 -","4","1","","Taylor, Laurence J.; Bühl, Michael; Chalmers, Brian A.; Ray, Matthew J.; Wawrzyniak, Piotr; Walton, John C.; Cordes, David B.; Slawin, Alexandra M. Z.; Woollins, J. Derek; Kilian, Petr","Dealkanative Main Group Couplings Across the peri-Gap.","Journal of the American Chemical Society","2017","","","","","10.1021/jacs.7b08682","","","0.71075","MoKα","","","0.0199","","","","0.0553","","","","","","1.091","","","","has coordinates","204247","2020-10-21","18:00:00",""
"4126843","9.249","0.0015","13.144","0.003","14.882","0.002","89.036","0.011","72.407","0.008","87.425","0.011","1722.8","0.5","173","","173","","","","","","","","","3","P -1","-P 1","2","","","","- C21 H20 P2 -","- C21 H20 P2 -","- C84 H80 P8 -","4","2","","Taylor, Laurence J.; Bühl, Michael; Chalmers, Brian A.; Ray, Matthew J.; Wawrzyniak, Piotr; Walton, John C.; Cordes, David B.; Slawin, Alexandra M. Z.; Woollins, J. Derek; Kilian, Petr","Dealkanative Main Group Couplings Across the peri-Gap.","Journal of the American Chemical Society","2017","","","","","10.1021/jacs.7b08682","","","0.71075","MoKα","","0.1754","0.0805","","","0.1619","0.2022","","","","","","1.003","","","","has coordinates","204248","2020-10-21","18:00:00",""
"4126844","14.745","0.002","7.8199","0.0012","25.564","0.004","90","","95.712","0.003","90","","2933","0.8","93","","93","","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C30 H32 As2 Cl3 P -","- C30 H32 As2 Cl3 P -","- C120 H128 As8 Cl12 P4 -","4","1","","Taylor, Laurence J.; Bühl, Michael; Chalmers, Brian A.; Ray, Matthew J.; Wawrzyniak, Piotr; Walton, John C.; Cordes, David B.; Slawin, Alexandra M. Z.; Woollins, J. Derek; Kilian, Petr","Dealkanative Main Group Couplings Across the peri-Gap.","Journal of the American Chemical Society","2017","","","","","10.1021/jacs.7b08682","","","0.71075","MoKα","","","0.0215","","","","0.0577","","","","","","1.046","","","","has coordinates","204249","2020-10-21","18:00:00",""
"4126845","8.234","0.002","41.49","0.011","5.9199","0.0016","90","","90","","90","","2022.4","0.9","125","","125","","","","","","","","","3","P n a 21","P 2c -2n","33","","","","- C24 H28 P2 -","- C24 H28 P2 -","- C96 H112 P8 -","4","1","","Taylor, Laurence J.; Bühl, Michael; Chalmers, Brian A.; Ray, Matthew J.; Wawrzyniak, Piotr; Walton, John C.; Cordes, David B.; Slawin, Alexandra M. Z.; Woollins, J. Derek; Kilian, Petr","Dealkanative Main Group Couplings Across the peri-Gap.","Journal of the American Chemical Society","2017","","","","","10.1021/jacs.7b08682","","","1.54187","CuKα","","","0.0547","","","","0.1354","","","","","","1.103","","","","has coordinates","204250","2020-10-21","18:00:00",""
"4126846","8.7407","0.0001","33.9886","0.0004","8.6771","0.0001","90","","107.725","0.001","90","","2455.46","0.05","180","2","180","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C18 H32 Cu2 N2 O12 -","- C18 H32 Cu2 N2 O12 -","- C72 H128 Cu8 N8 O48 -","4","1","","Zhang, Bin; Baker, Peter J.; Zhang, Yan; Wang, Dongwei; Wang, Zheming; Su, Shaokui; Zhu, Daoben; Pratt, Francis L.","A Quantum Spin Liquid from a Three-Dimensional Copper-Oxalate-Framework.","Journal of the American Chemical Society","2017","","","","","10.1021/jacs.7b11179","","","0.71073","MoKα","","0.0421","0.0307","","","0.0802","0.0839","","","","","","1.056","","","","has coordinates,has disorder","204251","2020-10-21","18:00:00",""
"4126847","8.6987","0.0001","34.1408","0.0004","8.6081","0.0001","90","","107.578","0.001","90","","2437.07","0.05","135","2","135","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C18 H32 Cu2 N2 O12 -","- C18 H32 Cu2 N2 O12 -","- C72 H128 Cu8 N8 O48 -","4","1","","Zhang, Bin; Baker, Peter J.; Zhang, Yan; Wang, Dongwei; Wang, Zheming; Su, Shaokui; Zhu, Daoben; Pratt, Francis L.","A Quantum Spin Liquid from a Three-Dimensional Copper-Oxalate-Framework.","Journal of the American Chemical Society","2017","","","","","10.1021/jacs.7b11179","","","0.71073","MoKα","","0.0364","0.0301","","","0.0771","0.0793","","","","","","1.07","","","","has coordinates,has disorder","204252","2020-10-21","18:00:00",""
"4126848","8.7368","0.0001","33.9968","0.0004","8.6704","0.0001","90","","107.726","0.0004","90","","2453.04","0.05","173","2","173","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C18 H32 Cu2 N2 O12 -","- C18 H32 Cu2 N2 O12 -","- C72 H128 Cu8 N8 O48 -","4","1","","Zhang, Bin; Baker, Peter J.; Zhang, Yan; Wang, Dongwei; Wang, Zheming; Su, Shaokui; Zhu, Daoben; Pratt, Francis L.","A Quantum Spin Liquid from a Three-Dimensional Copper-Oxalate-Framework.","Journal of the American Chemical Society","2017","","","","","10.1021/jacs.7b11179","","","0.71073","MoKα","","0.0403","0.03","","","0.0788","0.082","","","","","","1.05","","","","has coordinates,has disorder","204253","2020-10-21","18:00:00",""
"4126849","8.8533","0.0001","33.7162","0.0004","8.8347","0.0001","90","","107.963","0.001","90","","2508.61","0.05","333","2","333","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C18 H32 Cu2 N2 O12 -","- C18 H32 Cu2 N2 O12 -","- C72 H128 Cu8 N8 O48 -","4","1","","Zhang, Bin; Baker, Peter J.; Zhang, Yan; Wang, Dongwei; Wang, Zheming; Su, Shaokui; Zhu, Daoben; Pratt, Francis L.","A Quantum Spin Liquid from a Three-Dimensional Copper-Oxalate-Framework.","Journal of the American Chemical Society","2017","","","","","10.1021/jacs.7b11179","","","0.71073","MoKα","","0.0665","0.0335","","","0.0948","0.1034","","","","","","1.058","","","","has coordinates,has disorder","204254","2020-10-21","18:00:00",""
"4126850","8.6817","0.0001","34.1802","0.0004","8.5822","0.0001","90","","107.6","0.001","90","","2427.49","0.05","93","2","93","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C18 H32 Cu2 N2 O12 -","- C18 H32 Cu2 N2 O12 -","- C72 H128 Cu8 N8 O48 -","4","1","","Zhang, Bin; Baker, Peter J.; Zhang, Yan; Wang, Dongwei; Wang, Zheming; Su, Shaokui; Zhu, Daoben; Pratt, Francis L.","A Quantum Spin Liquid from a Three-Dimensional Copper-Oxalate-Framework.","Journal of the American Chemical Society","2017","","","","","10.1021/jacs.7b11179","","","0.71073","MoKα","","0.0331","0.0285","","","0.0708","0.0722","","","","","","1.085","","","","has coordinates,has disorder","204255","2020-10-21","18:00:00",""
"4126851","8.7979","0.0001","33.8187","0.0004","8.7622","0.0001","90","","107.854","0.0005","90","","2481.5","0.05","255","2","255","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C18 H32 Cu2 N2 O12 -","- C18 H32 Cu2 N2 O12 -","- C72 H128 Cu8 N8 O48 -","4","1","","Zhang, Bin; Baker, Peter J.; Zhang, Yan; Wang, Dongwei; Wang, Zheming; Su, Shaokui; Zhu, Daoben; Pratt, Francis L.","A Quantum Spin Liquid from a Three-Dimensional Copper-Oxalate-Framework.","Journal of the American Chemical Society","2017","","","","","10.1021/jacs.7b11179","","","0.71073","MoKα","","0.0518","0.0317","","","0.0862","0.0921","","","","","","1.058","","","","has coordinates,has disorder","204256","2020-10-21","18:00:00",""
"4126852","8.7734","0.0001","33.8944","0.0004","8.7281","0.0001","90","","107.797","0.001","90","","2471.26","0.05","220","2","220","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C18 H32 Cu2 N2 O12 -","- C18 H32 Cu2 N2 O12 -","- C72 H128 Cu8 N8 O48 -","4","1","","Zhang, Bin; Baker, Peter J.; Zhang, Yan; Wang, Dongwei; Wang, Zheming; Su, Shaokui; Zhu, Daoben; Pratt, Francis L.","A Quantum Spin Liquid from a Three-Dimensional Copper-Oxalate-Framework.","Journal of the American Chemical Society","2017","","","","","10.1021/jacs.7b11179","","","0.71073","MoKα","","0.0467","0.0306","","","0.0801","0.0851","","","","","","1.052","","","","has coordinates,has disorder","204257","2020-10-21","18:00:00",""
"4126853","8.7595","0.0001","33.9181","0.0004","8.7069","0.0001","90","","107.797","0.0004","90","","2463.08","0.05","200","2","200","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C18 H32 Cu2 N2 O12 -","- C18 H32 Cu2 N2 O12 -","- C72 H128 Cu8 N8 O48 -","4","1","","Zhang, Bin; Baker, Peter J.; Zhang, Yan; Wang, Dongwei; Wang, Zheming; Su, Shaokui; Zhu, Daoben; Pratt, Francis L.","A Quantum Spin Liquid from a Three-Dimensional Copper-Oxalate-Framework.","Journal of the American Chemical Society","2017","","","","","10.1021/jacs.7b11179","","","0.71073","MoKα","","0.0438","0.0315","","","0.085","0.0894","","","","","","1.037","","","","has coordinates,has disorder","204258","2020-10-21","18:00:00",""
"4126854","8.6926","0.0001","34.1564","0.0004","8.5956","0.0001","90","","107.603","0.0004","90","","2432.61","0.05","115","2","115","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C18 H32 Cu2 N2 O12 -","- C18 H32 Cu2 N2 O12 -","- C72 H128 Cu8 N8 O48 -","4","1","","Zhang, Bin; Baker, Peter J.; Zhang, Yan; Wang, Dongwei; Wang, Zheming; Su, Shaokui; Zhu, Daoben; Pratt, Francis L.","A Quantum Spin Liquid from a Three-Dimensional Copper-Oxalate-Framework.","Journal of the American Chemical Society","2017","","","","","10.1021/jacs.7b11179","","","0.71073","MoKα","","0.0352","0.0294","","","0.076","0.078","","","","","","1.073","","","","has coordinates,has disorder","204259","2020-10-21","18:00:00",""
"4126855","8.7259","0.0001","34.0441","0.0004","8.6527","0.0001","90","","107.669","0.001","90","","2449.16","0.05","165","2","165","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C18 H32 Cu2 N2 O12 -","- C18 H32 Cu2 N2 O12 -","- C72 H128 Cu8 N8 O48 -","4","1","","Zhang, Bin; Baker, Peter J.; Zhang, Yan; Wang, Dongwei; Wang, Zheming; Su, Shaokui; Zhu, Daoben; Pratt, Francis L.","A Quantum Spin Liquid from a Three-Dimensional Copper-Oxalate-Framework.","Journal of the American Chemical Society","2017","","","","","10.1021/jacs.7b11179","","","0.71073","MoKα","","0.0391","0.0306","","","0.0784","0.0812","","","","","","1.071","","","","has coordinates,has disorder","204260","2020-10-21","18:00:00",""
"4126856","8.8839","0.0001","33.6507","0.0004","8.8737","0.0001","90","","108.061","0.0005","90","","2522.08","0.05","375","2","375","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C18 H32 Cu2 N2 O12 -","- C18 H32 Cu2 N2 O12 -","- C72 H128 Cu8 N8 O48 -","4","1","","Zhang, Bin; Baker, Peter J.; Zhang, Yan; Wang, Dongwei; Wang, Zheming; Su, Shaokui; Zhu, Daoben; Pratt, Francis L.","A Quantum Spin Liquid from a Three-Dimensional Copper-Oxalate-Framework.","Journal of the American Chemical Society","2017","","","","","10.1021/jacs.7b11179","","","0.71073","MoKα","","0.0668","0.0342","","","0.094","0.1029","","","","","","1.006","","","","has coordinates,has disorder","204261","2020-10-21","18:00:00",""
"4126857","8.7156","0.0001","34.0813","0.0004","8.636","0.0001","90","","107.632","0.001","90","","2444.72","0.05","155","2","155","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C18 H32 Cu2 N2 O12 -","- C18 H32 Cu2 N2 O12 -","- C72 H128 Cu8 N8 O48 -","4","1","","Zhang, Bin; Baker, Peter J.; Zhang, Yan; Wang, Dongwei; Wang, Zheming; Su, Shaokui; Zhu, Daoben; Pratt, Francis L.","A Quantum Spin Liquid from a Three-Dimensional Copper-Oxalate-Framework.","Journal of the American Chemical Society","2017","","","","","10.1021/jacs.7b11179","","","0.71073","MoKα","","0.0383","0.029","","","0.0747","0.0777","","","","","","1.081","","","","has coordinates,has disorder","204262","2020-10-21","18:00:00",""
"4126858","8.8294","0.0001","33.7719","0.0004","8.8052","0.0001","90","","107.901","0.001","90","","2498.48","0.05","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C18 H32 Cu2 N2 O12 -","- C18 H32 Cu2 N2 O12 -","- C72 H128 Cu8 N8 O48 -","4","1","","Zhang, Bin; Baker, Peter J.; Zhang, Yan; Wang, Dongwei; Wang, Zheming; Su, Shaokui; Zhu, Daoben; Pratt, Francis L.","A Quantum Spin Liquid from a Three-Dimensional Copper-Oxalate-Framework.","Journal of the American Chemical Society","2017","","","","","10.1021/jacs.7b11179","","","0.71073","MoKα","","0.0592","0.0324","","","0.0897","0.0968","","","","","","1.078","","","","has coordinates,has disorder","204263","2020-10-21","18:00:00",""
"4126859","10.9474","0.0006","10.1261","0.0006","11.0142","0.0005","90","","90.925","0.002","90","","1220.81","0.11","150","2","150","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C24 H30 N2 O8 Si -","- C24 H30 N2 O8 Si -","- C48 H60 N4 O16 Si2 -","2","1","","Nakhla, Mina C.; Wood, John L.","Total Synthesis of (±)-Aspergilline A.","Journal of the American Chemical Society","2017","","","","","10.1021/jacs.7b12570","","","0.71073","MoKα","","0.0622","0.0467","","","0.1013","0.1079","","","","","","1.034","","","","has coordinates","204292","2020-10-21","18:00:00",""
"4126860","10.497","0.0013","14.738","0.002","25.566","0.004","90","","97.466","0.004","90","","3921.7","0.9","150","2","150","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C21 H22 N2 O8 -","- C21 H22 N2 O8 -","- C168 H176 N16 O64 -","8","2","","Nakhla, Mina C.; Wood, John L.","Total Synthesis of (±)-Aspergilline A.","Journal of the American Chemical Society","2017","","","","","10.1021/jacs.7b12570","","","0.71073","MoKα","","0.0823","0.0607","","","0.1587","0.1753","","","","","","1.021","","","","has coordinates,has disorder","204293","2020-10-21","18:00:00",""
"4126861","12.462","0.0006","8.1989","0.0004","18.0499","0.0009","90","","93.8768","0.0017","90","","1840.02","0.16","150","2","150","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C21 H22 N2 O7 -","- C21 H22 N2 O7 -","- C84 H88 N8 O28 -","4","1","","Nakhla, Mina C.; Wood, John L.","Total Synthesis of (±)-Aspergilline A.","Journal of the American Chemical Society","2017","","","","","10.1021/jacs.7b12570","","","0.71073","MoKα","","0.0445","0.0374","","","0.0958","0.1008","","","","","","1.022","","","","has coordinates,has disorder","204294","2020-10-21","18:00:00",""
"4126862","10.2475","0.0003","15.4739","0.0005","15.5849","0.0005","90.329","0.001","96.874","0.001","91.826","0.001","2452.15","0.13","150","2","150","2","","","","","","","","5","P -1","-P 1","2","","","","- C25 H32 N2 O6 Si -","- C25 H32 N2 O6 Si -","- C100 H128 N8 O24 Si4 -","4","2","","Nakhla, Mina C.; Wood, John L.","Total Synthesis of (±)-Aspergilline A.","Journal of the American Chemical Society","2017","","","","","10.1021/jacs.7b12570","","","0.71073","MoKα","","0.0645","0.0465","","","0.1128","0.1219","","","","","","1.041","","","","has coordinates","204295","2020-10-21","18:00:00",""
"4126863","10.2039","0.0002","13.4425","0.0003","20.8754","0.0004","75.4849","0.001","77.9502","0.001","72.9084","0.0011","2621.18","0.09","150","1","150","1","","","","","","","","7","P -1","-P 1","2","","","","- C41.5 H44 Cu2 F9 N8 O11 S3 -","- C41.5 H44 Cu2 F9 N8 O11 S3 -","- C83 H88 Cu4 F18 N16 O22 S6 -","2","1","","Ali, Ghazanfar; VanNatta, Peter E.; Ramirez, David A.; Light, Kenneth M.; Kieber-Emmons, Matthew T","Thermodynamics of a μ-oxo Dicopper(II) Complex for Hydrogen Atom Abstraction.","Journal of the American Chemical Society","2017","","","","","10.1021/jacs.7b10833","","","0.71073","MoKα","","0.0914","0.0513","","","0.1304","0.1509","","","","","","1.044","","","","has coordinates,has disorder","204296","2020-10-21","18:00:00",""
"4126864","20.8909","0.0009","12.5657","0.0005","20.1842","0.0009","90","","95.274","0.001","90","","5276.1","0.4","296","2","296","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C54 H74 N4 O3 Pd -","- C54 H74 N4 O3 Pd -","- C216 H296 N16 O12 Pd4 -","4","1","","Palluccio, Taryn D.; Cai, Xiaochen; Majumdar, Subhojit; Serafim, Leonardo F.; Tomson, Neil C.; Wieghardt, Karl; Cazin, Catherine S. J.; Nolan, Steven P.; Rybak-Akimova, Elena V; Fernández-González, Miguel Angel; Temprado, Manuel; Captain, Burjor; Hoff, Carl D.","Ligand-directed Reactivity in Dioxygen and Water Binding to cis-[Pd(NHC)2(η2-O2)].","Journal of the American Chemical Society","2017","","","","","10.1021/jacs.7b09905","","","0.71073","MoKα","","0.0604","0.0482","","","0.1324","0.1433","","","","","","1.075","","","","has coordinates","204333","2020-10-21","18:00:00",""
"4126865","10.8855","0.0005","41.9831","0.0018","10.0006","0.0004","90","","91.326","0.002","90","","4569.1","0.3","290","5","290","5","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C46 H60 Fe N6 O4 -","- C46 H60 Fe N6 O4 -","- C184 H240 Fe4 N24 O16 -","4","2","","Rosario-Amorin, Daniel; Dechambenoit, Pierre; Bentaleb, Ahmed; Rouzieres, Mathieu; Mathonière, Corine; Clérac, Rodolphe","Multistability at room temperature in a bent-shaped spin-crossover complex decorated with long alkyl chains.","Journal of the American Chemical Society","2017","","","","","10.1021/jacs.7b11042","","","0.71073","MoKα","","0.0483","0.0376","","","0.083","0.0871","","","","","","1.029","","","","has coordinates","204359","2020-10-21","18:00:00",""
"4126866","11.3454","0.0007","37.59","0.003","10.3499","0.0007","90","","97.905","0.003","90","","4372","0.5","220","5","220","5","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C46 H60 Fe N6 O4 -","- C46 H60 Fe N6 O4 -","- C184 H240 Fe4 N24 O16 -","4","1","","Rosario-Amorin, Daniel; Dechambenoit, Pierre; Bentaleb, Ahmed; Rouzieres, Mathieu; Mathonière, Corine; Clérac, Rodolphe","Multistability at room temperature in a bent-shaped spin-crossover complex decorated with long alkyl chains.","Journal of the American Chemical Society","2017","","","","","10.1021/jacs.7b11042","","","0.71073","MoKα","","0.0708","0.0511","","","0.1163","0.1278","","","","","","1.069","","","","has coordinates,has disorder","204360","2020-10-21","18:00:00",""
"4126867","10.912","0.0005","42.1096","0.0019","10.0118","0.0004","90","","90","","90","","4600.4","0.3","315","5","315","5","","","","","","","","5","P 21 21 2","P 2 2ab","18","","","","- C46 H60 Fe N6 O4 -","- C46 H60 Fe N6 O4 -","- C184 H240 Fe4 N24 O16 -","4","1","","Rosario-Amorin, Daniel; Dechambenoit, Pierre; Bentaleb, Ahmed; Rouzieres, Mathieu; Mathonière, Corine; Clérac, Rodolphe","Multistability at room temperature in a bent-shaped spin-crossover complex decorated with long alkyl chains.","Journal of the American Chemical Society","2017","","","","","10.1021/jacs.7b11042","","","0.71073","MoKα","","0.0524","0.047","","","0.1281","0.1322","","","","","","1.107","","","","has coordinates","204361","2020-10-21","18:00:00",""
"4126868","13.0612","0.0005","13.1299","0.0005","11.4816","0.0005","90","","90","","90","","1969.01","0.14","100","2","100","2","","","","","","","","5","P 21 21 2","P 2 2ab","18","","","","- C18 H35 N O4 S -","- C18 H36.5 N O4 S -","- C72 H146 N4 O16 S4 -","4","1","","Matsuki, Masaya; Yamada, Teppei; Yasuda, Nobuhiro; Dekura, Shun; Kitagawa, Hiroshi; Kimizuka, Nobuo","Non-Polar to Polar Phase Transition of a Chiral Ionic Plastic Crystal and the Switch of Rotation Symmetry.","Journal of the American Chemical Society","2017","","","","","10.1021/jacs.7b10249","","","0.78203","Synchrotron","","0.1135","0.0705","","","0.1733","0.2248","","","","","","1.146","","","","has coordinates,has disorder","204362","2020-10-21","18:00:00",""
"4126869","13.3219","0.0008","13.3283","0.0008","11.5783","0.0008","90","","90","","90","","2055.8","0.2","293","2","293","2","","","","","","","","5","P 21 21 2","P 2 2ab","18","","","","- C18 H35 N O4 S -","- C18 H35 N O4 S -","- C72 H140 N4 O16 S4 -","4","1","","Matsuki, Masaya; Yamada, Teppei; Yasuda, Nobuhiro; Dekura, Shun; Kitagawa, Hiroshi; Kimizuka, Nobuo","Non-Polar to Polar Phase Transition of a Chiral Ionic Plastic Crystal and the Switch of Rotation Symmetry.","Journal of the American Chemical Society","2017","","","","","10.1021/jacs.7b10249","","","0.78203","Synchrotron","","0.1432","0.0955","","","0.2392","0.2898","","","","","","2.017","","","","has coordinates,has disorder","204363","2020-10-21","18:00:00",""
"4126870","9.5107","0.0012","9.5076","0.0012","11.6475","0.0015","90","","90.025","0.003","90","","1053.2","0.2","354","2","354","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C18 H35 N O4 S -","- C18 H35 N O4 S -","- C36 H70 N2 O8 S2 -","2","1","","Matsuki, Masaya; Yamada, Teppei; Yasuda, Nobuhiro; Dekura, Shun; Kitagawa, Hiroshi; Kimizuka, Nobuo","Non-Polar to Polar Phase Transition of a Chiral Ionic Plastic Crystal and the Switch of Rotation Symmetry.","Journal of the American Chemical Society","2017","","","","","10.1021/jacs.7b10249","","","0.78203","MoKα","","0.1149","0.0972","","","0.253","0.285","","","","","","1.161","","","","has coordinates,has disorder","204364","2020-10-21","18:00:00",""
"4126871","33.0134","0.0004","33.0134","0.0004","33.0134","0.0004","90","","90","","90","","35980.8","0.8","100","2","100","2","","","","","","","","7","F 2 3","F 2 2 3","196","","","","- C216 H224 B Co20 F4 N72 O16 -","- C216 H223.999 B Co20 F4 N72 O16 -","- C864 H895.997 B4 Co80 F16 N288 O64 -","4","0.0833333","","Luo, Dong; Wang, Xue-Zhi; Yang, Chen; Zhou, Xiao-Ping; Li, Dan","Self-Assembly of Chiral Metal-Organic Tetartoid.","Journal of the American Chemical Society","2017","","","","","10.1021/jacs.7b11285","","","1.54184","CuKα","","0.0823","0.0792","","","0.2237","0.2276","","","","","","1.136","","","","has coordinates","204365","2020-10-21","18:00:00",""
"4126872","32.9797","0.0003","32.9797","0.0003","32.9797","0.0003","90","","90","","90","","35870.7","0.6","100","2","100","2","","","","","","","","7","F 2 3","F 2 2 3","196","","","","- C216 H224 B Co20 F4 N72 O16 -","- C216 H223.999 B Co20 F4 N72 O16 -","- C864 H895.997 B4 Co80 F16 N288 O64 -","4","0.0833333","","Luo, Dong; Wang, Xue-Zhi; Yang, Chen; Zhou, Xiao-Ping; Li, Dan","Self-Assembly of Chiral Metal-Organic Tetartoid.","Journal of the American Chemical Society","2017","","","","","10.1021/jacs.7b11285","","","1.54184","CuKα","","0.0535","0.0514","","","0.1385","0.1417","","","","","","1.045","","","","has coordinates","204365","2020-10-21","18:00:00",""
"4126873","32.855","0.0003","32.855","0.0003","32.855","0.0003","90","","90","","90","","35465.4","0.6","100","2","100","2","","","","","","","","7","F 2 3","F 2 2 3","196","","","","- C240 H272 B Co20 F4 N72 O16 -","- C240 H271.999 B Co20 F4 N72 O16 -","- C960 H1088 B4 Co80 F16 N288 O64 -","4","0.0833333","","Luo, Dong; Wang, Xue-Zhi; Yang, Chen; Zhou, Xiao-Ping; Li, Dan","Self-Assembly of Chiral Metal-Organic Tetartoid.","Journal of the American Chemical Society","2017","","","","","10.1021/jacs.7b11285","","","1.54184","CuKα","","0.0506","0.0469","","","0.1381","0.1406","","","","","","1.083","","","","has coordinates","204365","2020-10-21","18:00:00",""
"4126874","33.0237","0.0003","33.0237","0.0003","33.0237","0.0003","90","","90","","90","","36014.5","0.6","100","2","100","2","","","","","","","","7","F 2 3","F 2 2 3","196","","","","- C240 H272 B Co20 F4 N72 O16 -","- C240 H271.999 B Co20 F4 N72 O16 -","- C960 H1088 B4 Co80 F16 N288 O64 -","4","0.0833333","","Luo, Dong; Wang, Xue-Zhi; Yang, Chen; Zhou, Xiao-Ping; Li, Dan","Self-Assembly of Chiral Metal-Organic Tetartoid.","Journal of the American Chemical Society","2017","","","","","10.1021/jacs.7b11285","","","1.54184","CuKα","","0.0745","0.0687","","","0.1938","0.2026","","","","","","1.057","","","","has coordinates","204365","2020-10-21","18:00:00",""
"4126875","33.0388","0.0004","33.0388","0.0004","33.0388","0.0004","90","","90","","90","","36063.9","0.8","100","2","100","2","","","","","","","","6","F 2 3","F 2 2 3","196","","","","- C216 H224 Cl Co20 N72 O20 -","- C216 H223.999 Cl Co20 N72 O20 -","- C864 H895.997 Cl4 Co80 N288 O80 -","4","0.0833333","","Luo, Dong; Wang, Xue-Zhi; Yang, Chen; Zhou, Xiao-Ping; Li, Dan","Self-Assembly of Chiral Metal-Organic Tetartoid.","Journal of the American Chemical Society","2017","","","","","10.1021/jacs.7b11285","","","1.54184","CuKα","","0.0994","0.0746","","","0.207","0.2241","","","","","","1.055","","","","has coordinates","204365","2020-10-21","18:00:00",""
"4126876","32.9647","0.0004","32.9647","0.0004","32.9647","0.0004","90","","90","","90","","35821.8","0.8","100","2","100","2","","","","","","","","6","F 2 3","F 2 2 3","196","","","","- C216 H224 Cl Co20 N72 O20 -","- C216 H223.999 Cl Co20 N72 O20 -","- C864 H895.997 Cl4 Co80 N288 O80 -","4","0.0833333","","Luo, Dong; Wang, Xue-Zhi; Yang, Chen; Zhou, Xiao-Ping; Li, Dan","Self-Assembly of Chiral Metal-Organic Tetartoid.","Journal of the American Chemical Society","2017","","","","","10.1021/jacs.7b11285","","","1.54184","CuKα","","0.0985","0.0902","","","0.2671","0.2856","","","","","","1.254","","","","has coordinates","204365","2020-10-21","18:00:00",""
"4126877","33.0274","0.0004","33.0274","0.0004","33.0274","0.0004","90","","90","","90","","36026.6","0.8","100","2","100","2","","","","","","","","7","F 2 3","F 2 2 3","196","","","","- C216 H224 Co20 F42 N72 O16 P7 -","- C216 H223.999 Co20 F42 N72 O16 P7 -","- C864 H895.997 Co80 F168 N288 O64 P28 -","4","0.0833333","","Luo, Dong; Wang, Xue-Zhi; Yang, Chen; Zhou, Xiao-Ping; Li, Dan","Self-Assembly of Chiral Metal-Organic Tetartoid.","Journal of the American Chemical Society","2017","","","","","10.1021/jacs.7b11285","","","1.54184","CuKα","","0.0783","0.0689","","","0.1987","0.2121","","","","","","1.045","","","","has coordinates","204365","2020-10-21","18:00:00",""
"4126878","32.9732","0.0002","32.9732","0.0002","32.9732","0.0002","90","","90","","90","","35849.5","0.4","100","2","100","2","","","","","","","","7","F 2 3","F 2 2 3","196","","","","- C216 H224 Co20 F42 N72 O16 P7 -","- C216 H223.999 Co20 F42 N72 O16 P7 -","- C864 H895.997 Co80 F168 N288 O64 P28 -","4","0.0833333","","Luo, Dong; Wang, Xue-Zhi; Yang, Chen; Zhou, Xiao-Ping; Li, Dan","Self-Assembly of Chiral Metal-Organic Tetartoid.","Journal of the American Chemical Society","2017","","","","","10.1021/jacs.7b11285","","","1.54178","CuKα","","0.1684","0.1568","","","0.4104","0.4236","","","","","","1.793","","","","has coordinates","204365","2020-10-21","18:00:00",""
"4126879","32.9727","0.0003","32.9727","0.0003","32.9727","0.0003","90","","90","","90","","35847.9","0.6","100","2","100","2","","","","","","","","7","F 2 3","F 2 2 3","196","","","","- C217 H224 Co20 F3 N72 O19 S -","- C217 H223.999 Co20 F3 N72 O19 S -","- C868 H895.997 Co80 F12 N288 O76 S4 -","4","0.0833333","","Luo, Dong; Wang, Xue-Zhi; Yang, Chen; Zhou, Xiao-Ping; Li, Dan","Self-Assembly of Chiral Metal-Organic Tetartoid.","Journal of the American Chemical Society","2017","","","","","10.1021/jacs.7b11285","","","1.54184","CuKα","","0.0707","0.0611","","","0.1672","0.1748","","","","","","1.06","","","","has coordinates,has disorder","204365","2020-10-21","18:00:00",""
"4126880","32.9477","0.0003","32.9477","0.0003","32.9477","0.0003","90","","90","","90","","35766.4","0.6","100","2","100","2","","","","","","","","7","F 2 3","F 2 2 3","196","","","","- C217 H224 Co20 F3 N72 O19 S -","- C217 H223.999 Co20 F3 N72 O19 S -","- C868 H895.997 Co80 F12 N288 O76 S4 -","4","0.0833333","","Luo, Dong; Wang, Xue-Zhi; Yang, Chen; Zhou, Xiao-Ping; Li, Dan","Self-Assembly of Chiral Metal-Organic Tetartoid.","Journal of the American Chemical Society","2017","","","","","10.1021/jacs.7b11285","","","1.54184","CuKα","","0.0791","0.0741","","","0.2089","0.2162","","","","","","1.08","","","","has coordinates,has disorder","204365","2020-10-21","18:00:00",""
"4126881","15.5006","0.0005","15.8244","0.0006","28.8173","0.0005","102.076","0.003","94.72","0.002","105.169","0.003","6600.6","0.4","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C96 H84 Co8 N42 O18 -","- C96 H84 Co8 N42 O18 -","- C192 H168 Co16 N84 O36 -","2","1","","Luo, Dong; Wang, Xue-Zhi; Yang, Chen; Zhou, Xiao-Ping; Li, Dan","Self-Assembly of Chiral Metal-Organic Tetartoid.","Journal of the American Chemical Society","2017","","","","","10.1021/jacs.7b11285","","","1.54178","CuKα","","0.1198","0.0636","","","0.1654","0.1917","","","","","","0.898","","","","has coordinates","204365","2020-10-21","18:00:00",""
"4126882","17.319","0.0002","17.319","0.0002","17.319","0.0002","90","","90","","90","","5194.8","0.1","293","","293","","","","","","","","","5","I -4 3 m","I -4 2 3","217","","","","- C9.6 H18.4 N6 O7.6 Zn -","- C6 H4 N6 O4 Zn -","- C72 H48 N72 O48 Zn12 -","12","0.25","","Hobday, Claire L.; Bennett, Thomas D.; Fairen-Jimenez, David; Graham, Alexander J.; Morrison, Carole A.; Allan, David R.; Düren, Tina; Moggach, Stephen A.","Tuning the Swing Effect by Chemical Functionalization of Zeolitic Imidazolate Frameworks.","Journal of the American Chemical Society","2017","","","","","10.1021/jacs.7b10897","","","0.71073","MoKα","","0.0521","0.0513","","0.091","0.0906","0.091","","","","","","0.7556","","","","has coordinates","204366","2020-10-21","18:00:00",""
"4126883","17.359","0.003","17.359","0.003","17.359","0.003","90","","90","","90","","5230.9","1.6","293","","293","","","","110000","","","","","5","I -4 3 m","I -4 2 3","217","","","","- C7.46 H9.84 N6 O5.54 Zn -","- C6 H4 N6 O4 Zn -","- C72 H48 N72 O48 Zn12 -","12","0.25","","Hobday, Claire L.; Bennett, Thomas D.; Fairen-Jimenez, David; Graham, Alexander J.; Morrison, Carole A.; Allan, David R.; Düren, Tina; Moggach, Stephen A.","Tuning the Swing Effect by Chemical Functionalization of Zeolitic Imidazolate Frameworks.","Journal of the American Chemical Society","2017","","","","","10.1021/jacs.7b10897","","","0.71073","MoKα","","0.0467","0.0373","","0.1113","0.0939","0.1045","","","","","","0.8156","","","","has coordinates","204366","2020-10-21","18:00:00",""
"4126884","17.3408","0.0019","17.3408","0.0019","17.3408","0.0019","90","","90","","90","","5214.4","1","293","","293","","","","310000","","","","","5","I -4 3 m","I -4 2 3","217","","","","- C7.58 H10.32 N6 O5.58 Zn -","- C6 H4 N6 O4 Zn -","- C72 H48 N72 O48 Zn12 -","12","0.25","","Hobday, Claire L.; Bennett, Thomas D.; Fairen-Jimenez, David; Graham, Alexander J.; Morrison, Carole A.; Allan, David R.; Düren, Tina; Moggach, Stephen A.","Tuning the Swing Effect by Chemical Functionalization of Zeolitic Imidazolate Frameworks.","Journal of the American Chemical Society","2017","","","","","10.1021/jacs.7b10897","","","0.71073","MoKα","","0.0444","0.0363","","0.0935","0.0868","0.0935","","","","","","0.8652","","","","has coordinates","204366","2020-10-21","18:00:00",""
"4126885","17.24","0.0003","17.24","0.0003","17.24","0.0003","90","","90","","90","","5124.03","0.15","293","","293","","","","","","","","","5","I -4 3 m","I -4 2 3","217","","","","- C10.64 H10.56 N6 O5.64 Zn -","- C6 H4 N6 O4 Zn -","- C72 H48 N72 O48 Zn12 -","12","0.25","","Hobday, Claire L.; Bennett, Thomas D.; Fairen-Jimenez, David; Graham, Alexander J.; Morrison, Carole A.; Allan, David R.; Düren, Tina; Moggach, Stephen A.","Tuning the Swing Effect by Chemical Functionalization of Zeolitic Imidazolate Frameworks.","Journal of the American Chemical Society","2017","","","","","10.1021/jacs.7b10897","","","0.71073","MoKα","","0.0596","0.0525","","0.1438","0.1333","0.1438","","","","","","0.8272","","","","has coordinates","204366","2020-10-21","18:00:00",""
"4126886","17.215","0.0004","17.215","0.0004","17.215","0.0004","90","","90","","90","","5101.8","0.2","293","","293","","","","1410000","","","","","5","I -4 3 m","I -4 2 3","217","","","","- C7.92 H11.68 N6 O5.92 Zn -","- C6 H4 N6 O4 Zn -","- C72 H48 N72 O48 Zn12 -","12","0.25","","Hobday, Claire L.; Bennett, Thomas D.; Fairen-Jimenez, David; Graham, Alexander J.; Morrison, Carole A.; Allan, David R.; Düren, Tina; Moggach, Stephen A.","Tuning the Swing Effect by Chemical Functionalization of Zeolitic Imidazolate Frameworks.","Journal of the American Chemical Society","2017","","","","","10.1021/jacs.7b10897","","","0.71073","MoKα","","0.067","0.0589","","0.1597","0.1492","0.1597","","","","","","0.8517","","","","has coordinates","204366","2020-10-21","18:00:00",""
"4126887","17.1533","0.0009","17.1533","0.0009","17.1533","0.0009","90","","90","","90","","5047.1","0.5","293","","293","","","","2160000","","","","","5","I -4 3 m","I -4 2 3","217","","","","- C8.53 H14.12 N6 O6.53 Zn -","- C6 H4 N6 O4 Zn -","- C72 H48 N72 O48 Zn12 -","12","0.25","","Hobday, Claire L.; Bennett, Thomas D.; Fairen-Jimenez, David; Graham, Alexander J.; Morrison, Carole A.; Allan, David R.; Düren, Tina; Moggach, Stephen A.","Tuning the Swing Effect by Chemical Functionalization of Zeolitic Imidazolate Frameworks.","Journal of the American Chemical Society","2017","","","","","10.1021/jacs.7b10897","","","0.4895","Synchrotron","","0.0809","0.0676","","0.1996","0.1794","0.1996","","","","","","0.9228","","","","has coordinates","204366","2020-10-21","18:00:00",""
"4126888","17.0971","0.0005","17.0971","0.0005","17.0971","0.0005","90","","90","","90","","4997.7","0.3","293","","293","","","","2940000","","","","","5","I -4 3 m","I -4 2 3","217","","","","- C8.75 H15 N6 O6.75 Zn -","- C6 H4 N6 O4 Zn -","- C72 H48 N72 O48 Zn12 -","12","0.25","","Hobday, Claire L.; Bennett, Thomas D.; Fairen-Jimenez, David; Graham, Alexander J.; Morrison, Carole A.; Allan, David R.; Düren, Tina; Moggach, Stephen A.","Tuning the Swing Effect by Chemical Functionalization of Zeolitic Imidazolate Frameworks.","Journal of the American Chemical Society","2017","","","","","10.1021/jacs.7b10897","","","0.4895","Synchrotron","","0.0941","0.0665","","0.2027","0.1626","0.2027","","","","","","0.9744","","","","has coordinates","204366","2020-10-21","18:00:00",""
"4126889","17.0228","0.0017","17.0228","0.0017","17.0228","0.0017","90","","90","","90","","4932.8","0.9","293","","293","","","","","","","","","5","I -4 3 m","I -4 2 3","217","","","","- C8.83 H15.32 N6 O6.83 Zn -","- C6 H4 N6 O4 Zn -","- C72 H48 N72 O48 Zn12 -","12","0.25","","Hobday, Claire L.; Bennett, Thomas D.; Fairen-Jimenez, David; Graham, Alexander J.; Morrison, Carole A.; Allan, David R.; Düren, Tina; Moggach, Stephen A.","Tuning the Swing Effect by Chemical Functionalization of Zeolitic Imidazolate Frameworks.","Journal of the American Chemical Society","2017","","","","","10.1021/jacs.7b10897","","","0.4895","Synchrotron","","0.0817","0.0665","","0.1955","0.1716","0.1955","","","","","","0.9352","","","","has coordinates","204366","2020-10-21","18:00:00",""
"4126890","16.9632","0.0016","16.9632","0.0016","16.9632","0.0016","90","","90","","90","","4881.2","0.8","293","","293","","","","4770000","","","","","5","I -4 3 m","I -4 2 3","217","","","","- C8.73 H14.92 N6 O6.73 Zn -","- C6 H4 N6 O4 Zn -","- C72 H48 N72 O48 Zn12 -","12","0.25","","Hobday, Claire L.; Bennett, Thomas D.; Fairen-Jimenez, David; Graham, Alexander J.; Morrison, Carole A.; Allan, David R.; Düren, Tina; Moggach, Stephen A.","Tuning the Swing Effect by Chemical Functionalization of Zeolitic Imidazolate Frameworks.","Journal of the American Chemical Society","2017","","","","","10.1021/jacs.7b10897","","","0.71073","MoKα","","0.0895","0.0744","","0.2089","0.1905","0.2089","","","","","","0.9346","","","","has coordinates","204366","2020-10-21","18:00:00",""
"4126891","16.938","0.0011","16.938","0.0011","16.938","0.0011","90","","90","","90","","4859.4","0.5","293","","293","","","","","","","","","5","I -4 3 m","I -4 2 3","217","","","","- C8 H6 N4 O2 Zn -","- C8 H6 N4 O2 Zn -","- C96 H72 N48 O24 Zn12 -","12","0.25","","Hobday, Claire L.; Bennett, Thomas D.; Fairen-Jimenez, David; Graham, Alexander J.; Morrison, Carole A.; Allan, David R.; Düren, Tina; Moggach, Stephen A.","Tuning the Swing Effect by Chemical Functionalization of Zeolitic Imidazolate Frameworks.","Journal of the American Chemical Society","2017","","","","","10.1021/jacs.7b10897","","","0.71073","MoKα","","0.2032","0.1823","","0.4632","0.3996","0.4629","","","","","","0.9903","","","","has coordinates","204366","2020-10-21","18:00:00",""
"4126892","17.2663","0.0007","17.2663","0.0007","17.2663","0.0007","90","","90","","90","","5147.5","0.4","293","","293","","","","340000","","","","","5","I -4 3 m","I -4 2 3","217","","","","- C16 H63 N O16 Zn -","- C8 H6 N4 O2 Zn -","- C96 H72 N48 O24 Zn12 -","12","0.25","","Hobday, Claire L.; Bennett, Thomas D.; Fairen-Jimenez, David; Graham, Alexander J.; Morrison, Carole A.; Allan, David R.; Düren, Tina; Moggach, Stephen A.","Tuning the Swing Effect by Chemical Functionalization of Zeolitic Imidazolate Frameworks.","Journal of the American Chemical Society","2017","","","","","10.1021/jacs.7b10897","","","0.71073","MoKα","","0.0513","0.0473","","0.1047","0.0986","0.1047","","","","","","1.0302","","","","has coordinates","204366","2020-10-21","18:00:00",""
"4126893","17.2458","0.0009","17.2458","0.0009","17.2458","0.0009","90","","90","","90","","5129.2","0.5","293","","293","","","","880000","","","","","5","I -4 3 m","I -4 2 3","217","","zif-90","","- C10 H14 N4 O4 Zn -","- C24 H18 N12 O6 Zn3 -","- C96 H72 N48 O24 Zn12 -","4","0.0833333","","Hobday, Claire L.; Bennett, Thomas D.; Fairen-Jimenez, David; Graham, Alexander J.; Morrison, Carole A.; Allan, David R.; Düren, Tina; Moggach, Stephen A.","Tuning the Swing Effect by Chemical Functionalization of Zeolitic Imidazolate Frameworks.","Journal of the American Chemical Society","2017","","","","","10.1021/jacs.7b10897","","","0.71073","MoKα","","0.1197","0.1127","","0.2701","0.2543","0.2701","","","","","","0.962","","","","has coordinates","204366","2020-10-21","18:00:00",""
"4126894","17.251","0.0017","17.251","0.0017","17.251","0.0017","90","","90","","90","","5133.8","0.9","293","","293","","","","1480000","","","","","5","I -4 3 m","I -4 2 3","217","","","","- C13 H26 N4 O7 Zn -","- C8 H6 N4 O2 Zn -","- C96 H72 N48 O24 Zn12 -","12","0.25","","Hobday, Claire L.; Bennett, Thomas D.; Fairen-Jimenez, David; Graham, Alexander J.; Morrison, Carole A.; Allan, David R.; Düren, Tina; Moggach, Stephen A.","Tuning the Swing Effect by Chemical Functionalization of Zeolitic Imidazolate Frameworks.","Journal of the American Chemical Society","2017","","","","","10.1021/jacs.7b10897","","","0.4895","synchrotron","","0.1265","0.1235","","0.2891","0.2834","0.2891","","","","","","0.8938","","","","has coordinates","204366","2020-10-21","18:00:00",""
"4126895","17.185","0.002","17.185","0.002","17.185","0.002","90","","90","","90","","5075.1","1","293","","293","","","","2110000","","","","","5","I -4 3 m","I -4 2 3","217","","","","- C13.6 H26.4 N4 O7.6 Zn -","- C8 H6 N4 O2 Zn -","- C96 H72 N48 O24 Zn12 -","12","0.25","","Hobday, Claire L.; Bennett, Thomas D.; Fairen-Jimenez, David; Graham, Alexander J.; Morrison, Carole A.; Allan, David R.; Düren, Tina; Moggach, Stephen A.","Tuning the Swing Effect by Chemical Functionalization of Zeolitic Imidazolate Frameworks.","Journal of the American Chemical Society","2017","","","","","10.1021/jacs.7b10897","","","0.71073","MoKα","","0.2977","0.2869","","0.6211","0.6229","0.6211","","","","","","1.023","","","","has coordinates","204366","2020-10-21","18:00:00",""
"4126896","16.783","0.016","12.4","0.012","20.473","0.019","90","","102.182","0.019","90","","4165","7","100","2","100","2","","","","","","","","8","P 1 21/c 1","-P 2ybc","14","7-1105-7X","toste94","","- C37 H50 Au Cl2 F6 N2 O3 Sb -","- C37 H50 Au Cl2 F6 N2 O3 Sb -","- C148 H200 Au4 Cl8 F24 N8 O12 Sb4 -","4","1","","Zhukhovitskiy, Aleksandr V.; Kobylianskii, Ilia J.; Wu, Chung-Yeh; Toste, F. Dean","Migratory Insertion of Carbenes into Au(III)‒C Bonds","Journal of the American Chemical Society","2017","","","","","10.1021/jacs.7b11435","","","0.71073","MoKα","","0.0613","0.0478","","","0.1123","0.1225","","","","","","1.046","","","","has coordinates,has disorder","204412","2020-10-21","18:00:00",""
"4126897","11.5119","0.0007","12.4187","0.0011","17.4473","0.001","77.671","0.004","72.125","0.003","74.609","0.002","2264.9","0.3","100","2","100","2","","","","","","","","7","P -1","-P 1","2","","cw002","","- C41 H44 Au F6 N3 O5 S2 -","- C41 H44 Au F6 N3 O5 S2 -","- C82 H88 Au2 F12 N6 O10 S4 -","2","1","","Zhukhovitskiy, Aleksandr V.; Kobylianskii, Ilia J.; Wu, Chung-Yeh; Toste, F. Dean","Migratory Insertion of Carbenes into Au(III)‒C Bonds","Journal of the American Chemical Society","2017","","","","","10.1021/jacs.7b11435","","","0.71073","MoKα","","0.0692","0.0627","","","0.1768","0.1822","","","","","","1.063","","","","has coordinates","204413","2020-10-21","18:00:00",""
"4126898","10.6265","0.0011","21.339","0.002","17.8939","0.0019","90","","107.27","","90","","3874.7","0.7","100","2","100","2","","","","","","","","7","P 1 21/n 1","-P 2yn","14","cmh_az_0115","","","- C33 H42 Au F6 N3 O6 S2 -","- C33 H42 Au F6 N3 O6 S2 -","- C132 H168 Au4 F24 N12 O24 S8 -","4","1","","Zhukhovitskiy, Aleksandr V.; Kobylianskii, Ilia J.; Wu, Chung-Yeh; Toste, F. Dean","Migratory Insertion of Carbenes into Au(III)‒C Bonds","Journal of the American Chemical Society","2017","","","","","10.1021/jacs.7b11435","","","0.71073","MoKα","","0.0787","0.0615","","","0.1487","0.1554","","","","","","1.071","","","","has coordinates","204414","2020-10-21","18:00:00",""
"4126899","4.861","0.0002","9.8176","0.0004","14.4748","0.0005","90","","90.212","0.004","90","","690.78","0.05","173","0.1","173","0.1","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C14 H16 Br N O -","- C14 H16 Br N O -","- C28 H32 Br2 N2 O2 -","2","1","","Bai, Xiao-Yan; Zhang, Wen-Wen; Li, Qian; Li, Bi-Jie","Highly Enantioselective Synthesis of Propargyl Amides through Rh-Catalyzed Asymmetric Hydroalkynylation of Enamides: Scope, Mechanism, and Origin of Selectivity.","Journal of the American Chemical Society","2017","","","","","10.1021/jacs.7b12054","","","1.54178","CuKα","","0.0438","0.0411","","","0.0936","0.0956","","","","","","0.989","","","","has coordinates","204415","2020-10-21","18:00:00",""
"4126900","15.469","0.002","15.469","0.002","34.551","0.005","90","","90","","90","","8267.7","1.9","100","2","100","","","","","","","","","4","I 41/a","-I 4ad","88","","","","- C44 H22 N4 O8 -","- C44 H22 N4 O8 -","- C352 H176 N32 O64 -","8","","","Wu, Yilei; Han, Ji-Min; Hong, Michael; Krzyaniak, Matthew D.; Blackburn, Anthea K.; Fernando, Isurika R.; Cao, Dennis D.; Wasielewski, Michael R.; Stoddart, J. Fraser","X-Shaped Oligomeric Pyromellitimide Polyradicals.","Journal of the American Chemical Society","2017","","","","","10.1021/jacs.7b12124","","","1.54178","CuKα","","0.112","0.0694","","","0.1715","0.1911","","","","","","0.929","","","","has coordinates","204462","2020-10-21","18:00:00",""
"4126901","12.8554","0.0008","8.6634","0.0003","13.3612","0.0008","90","","118.093","0.008","90","","1312.74","0.16","123","2","123","2","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","","","- C17 H18 O3 -","- C17 H18 O3 -","- C68 H72 O12 -","4","1","","Molloy, John J.; Seath, Ciaran P.; West, Matthew J.; McLaughlin, Calum; Fazakerley, Neal J.; Kennedy, Alan R.; Nelson, David James; Watson, Allan J. B.","Interrogating Pd(II) anion metathesis using a bifunctional chemical probe: A transmetalation switch.","Journal of the American Chemical Society","2017","","","","","10.1021/jacs.7b11180","","","1.5418","CuKα","","0.0481","0.0425","","","0.1134","0.1202","","","","","","1.034","","","","has coordinates","204485","2020-10-21","18:00:00",""
"4126902","13.381","0.004","14.344","0.006","13.503","0.004","90","","103.2","0.02","90","","2523.2","1.5","150","2","150","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C29 H32 B N O5 -","- C29 H32 B N O5 -","- C116 H128 B4 N4 O20 -","4","1","","Molloy, John J.; Seath, Ciaran P.; West, Matthew J.; McLaughlin, Calum; Fazakerley, Neal J.; Kennedy, Alan R.; Nelson, David James; Watson, Allan J. B.","Interrogating Pd(II) anion metathesis using a bifunctional chemical probe: A transmetalation switch.","Journal of the American Chemical Society","2017","","","","","10.1021/jacs.7b11180","","","0.71073","MoKα","","0.1181","0.0635","","","0.1042","0.1304","","","","","","0.995","","","","has coordinates","204485","2020-10-21","18:00:00",""
"4126903","9.246","0.002","9.675","0.002","10.403","0.002","81.302","0.008","70.91","0.007","87.124","0.008","869.3","0.3","173","2","173","2","","","","","","","","4","P -1","-P 1","2","","","","- C18 H25 B O4 -","- C18 H25 B O4 -","- C36 H50 B2 O8 -","2","1","","Logan, Kaitlyn M.; Sardini, Stephen R.; White, Sean D.; Brown, M. Kevin","Nickel-Catalyzed Stereoselective Arylboration of Unactivated Alkenes","Journal of the American Chemical Society","2017","","","","","10.1021/jacs.7b12160","","","0.71073","MoKα","","0.1626","0.1239","","","0.3309","0.3487","","","","","","2.187","","","","has coordinates,has disorder","204486","2020-10-21","18:00:00",""
"4126904","9.102","0.003","10.739","0.004","11.209","0.004","115.321","0.01","97.689","0.009","97.641","0.009","959.1","0.6","298","2","298","2","","","","","","","","5","P -1","-P 1","2","","","","- C20 H12 N6 O8 Zn3 -","- C20 H12 N6 O8 Zn3 -","- C20 H12 N6 O8 Zn3 -","1","0.5","","Lama, Prem; Barbour, Leonard J.","Distinctive Three-Step Hysteretic Sorption of Ethane with In-situ Crystallographic Visualization of the Pore Forms in a Soft Porous Crystal.","Journal of the American Chemical Society","2017","","","","","10.1021/jacs.7b10352","","","0.71073","MoKα","","0.2122","0.1207","","","0.2959","0.3415","","","","","","1.131","","","","has coordinates,has disorder","204514","2020-10-21","18:00:00",""
"4126905","8.8288","0.0004","19.6384","0.0009","8.0916","0.0004","90","","115.063","0.002","90","","1270.85","0.11","298","2","298.15","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C20 H12 N6 O8 Zn3 -","- C20 H12 N6 O8 Zn3 -","- C40 H24 N12 O16 Zn6 -","2","0.5","","Lama, Prem; Barbour, Leonard J.","Distinctive Three-Step Hysteretic Sorption of Ethane with In-situ Crystallographic Visualization of the Pore Forms in a Soft Porous Crystal.","Journal of the American Chemical Society","2017","","","","","10.1021/jacs.7b10352","","","0.71073","MoKα","","0.0363","0.0294","","","0.0668","0.0708","","","","","","1.186","","","","has coordinates,has disorder","204515","2020-10-21","18:00:00",""
"4126906","8.8288","0.0004","19.6384","0.0009","8.0916","0.0004","90","","115.063","0.002","90","","1270.85","0.11","298","2","298","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C20 H12 N6 O8 Zn3 -","- C20 H12 N6 O8 Zn3 -","- C40 H24 N12 O16 Zn6 -","2","0.5","","Lama, Prem; Barbour, Leonard J.","Distinctive Three-Step Hysteretic Sorption of Ethane with In-situ Crystallographic Visualization of the Pore Forms in a Soft Porous Crystal.","Journal of the American Chemical Society","2017","","","","","10.1021/jacs.7b10352","","","0.71073","MoKα","","0.0393","0.0314","","","0.0783","0.083","","","","","","1.264","","","","has coordinates,has disorder","204516","2020-10-21","18:00:00",""
"4126907","9.102","0.003","10.739","0.004","11.209","0.004","115.321","0.01","97.689","0.009","97.641","0.009","959.1","0.6","298","2","298.15","","","","","","","","","5","P -1","-P 1","2","","","","- C20 H12 N6 O8 Zn3 -","- C20 H12 N6 O8 Zn3 -","- C20 H12 N6 O8 Zn3 -","1","0.5","","Lama, Prem; Barbour, Leonard J.","Distinctive Three-Step Hysteretic Sorption of Ethane with In-situ Crystallographic Visualization of the Pore Forms in a Soft Porous Crystal.","Journal of the American Chemical Society","2017","","","","","10.1021/jacs.7b10352","","","0.71073","MoKα","","0.1432","0.089","","","0.1717","0.1945","","","","","","0.973","","","","has coordinates,has disorder","204517","2020-10-21","18:00:00",""
"4126908","10.2603","0.0003","19.3424","0.0005","33.2993","0.0011","90","","90","","90","","6608.5","0.3","200","2","200","2","","","","","","","","7","P 21 21 21","P 2ac 2ab","19","","","","- C73 H56 Fe I O P3 Ru -","- C73 H55 Fe I O P3 Ru -","- C292 H220 Fe4 I4 O4 P12 Ru4 -","4","1","","Gallardo-Donaire, Joan; Hermsen, Marko; Wysocki, Jedrzej; Ernst, Martin; Rominger, Frank; Trapp, Oliver; Hashmi, A Stephen K; Schaefer, Ansgar; Comba, Peter; Schaub, Thomas","Direct Asymmetric Ruthenium-Catalyzed Reductive Amination of Alkyl-Aryl Ketones with Ammonia and Hydrogen.","Journal of the American Chemical Society","2017","","","","","10.1021/jacs.7b10496","","","0.71073","MoKα","","0.0738","0.0525","","","0.098","0.1051","","","","","","0.988","","","","has coordinates","204520","2020-10-21","18:00:00",""
"4126909","18.4438","0.0012","18.4438","0.0012","62.155","0.008","90","","90","","120","","18311","3","173","","173","","","","","","","","","6","R -3 c","-R 3 2""c","167","","","","- C18 Cl17 Cs3 N6 O78 Ti12 -","- C18 Cl17 Cs3 N6 O78 Ti12 -","- C108 Cl102 Cs18 N36 O468 Ti72 -","6","","","Zhang, Guanyun; Li, Wenyun; Liu, Caiyun; Jia, Jiong; Tung, Chen-Ho; Wang, Yifeng","Titanium-Oxide Host Clusters with Exchangeable Guests.","Journal of the American Chemical Society","2017","","","","","10.1021/jacs.7b10565","","","0.71073","MoKα","","0.0996","0.0966","","","0.2864","0.2883","","","","","","1.175","","","","has coordinates,has disorder","204521","2020-10-21","18:00:00",""
"4126910","13.909","0.003","17.333","0.004","20.456","0.004","90","","105.254","0.003","90","","4757.9","1.8","173","2","173.15","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- Cl8 Cs8 O66 S6 Ti12 -","- Cl8 Cs8 O66 S6 Ti12 -","- Cl16 Cs16 O132 S12 Ti24 -","2","0.5","","Zhang, Guanyun; Li, Wenyun; Liu, Caiyun; Jia, Jiong; Tung, Chen-Ho; Wang, Yifeng","Titanium-Oxide Host Clusters with Exchangeable Guests.","Journal of the American Chemical Society","2017","","","","","10.1021/jacs.7b10565","","","0.71073","MoKα","","0.1774","0.1522","","","0.3659","0.3821","","","","","","1.099","","","","has coordinates","204522","2020-10-21","18:00:00",""
"4126911","11.6472","0.0009","14.8259","0.0012","16.4433","0.0013","68.408","0.001","74.836","0.001","85.085","0.001","2548.1","0.3","173","","173","","","","","","","","","6","P -1","-P 1","2","","","","- C18 Cl22 K2.5 N6 O76 Ti12 -","- C18 Cl16 K2.5 N6 O66 Ti12 -","- C18 Cl16 K2.5 N6 O66 Ti12 -","1","0.5","","Zhang, Guanyun; Li, Wenyun; Liu, Caiyun; Jia, Jiong; Tung, Chen-Ho; Wang, Yifeng","Titanium-Oxide Host Clusters with Exchangeable Guests.","Journal of the American Chemical Society","2017","","","","","10.1021/jacs.7b10565","","","0.71073","MoKα","","0.1383","0.1166","","","0.2855","0.2967","","","","","","1.128","","","","has coordinates,has disorder","204523","2020-10-21","18:00:00",""
"4126912","14.37","0.02","13.06","0.02","24.57","0.03","90","","93.97","0.03","90","","4600","11","173","","173","","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C4 Cl10 Cs5 N2 O70 S6 Ti12 -","- C4 Cl10 Cs5 N2 O70 S6 Ti12 -","- C8 Cl20 Cs10 N4 O140 S12 Ti24 -","2","0.5","","Zhang, Guanyun; Li, Wenyun; Liu, Caiyun; Jia, Jiong; Tung, Chen-Ho; Wang, Yifeng","Titanium-Oxide Host Clusters with Exchangeable Guests.","Journal of the American Chemical Society","2017","","","","","10.1021/jacs.7b10565","","","0.71073","MoKα","","0.1639","0.1199","","","0.3041","0.3328","","","","","","1.072","","","","has coordinates","204524","2020-10-21","18:00:00",""
"4126913","18.3578","0.0007","18.3578","0.0007","62.096","0.004","90","","90","","120","","18123.2","1.5","173","","173","","","","","","","","","6","R -3","-R 3","148","","","","- C18 Cl18 N6 O79 Rb3 Ti12 -","- C18 Cl17.975 N6 O69 Rb3 Ti12 -","- C108 Cl107.85 N36 O414 Rb18 Ti72 -","6","","","Zhang, Guanyun; Li, Wenyun; Liu, Caiyun; Jia, Jiong; Tung, Chen-Ho; Wang, Yifeng","Titanium-Oxide Host Clusters with Exchangeable Guests.","Journal of the American Chemical Society","2017","","","","","10.1021/jacs.7b10565","","","0.71073","MoKα","","0.1535","0.1242","","","0.3546","0.3685","","","","","","1.074","","","","has coordinates","204525","2020-10-21","18:00:00",""
"4126914","13.353","0.004","13.748","0.004","14.803","0.005","88.866","0.004","80.517","0.004","80.172","0.004","2640.9","1.4","173","","173","","","","","","","","","6","P -1","-P 1","2","","","","- C18 Cl17 Cs3 N6 O61 Ti12 -","- C18 Cl17 Cs3 N6 O61 Ti12 -","- C18 Cl17 Cs3 N6 O61 Ti12 -","1","0.5","","Zhang, Guanyun; Li, Wenyun; Liu, Caiyun; Jia, Jiong; Tung, Chen-Ho; Wang, Yifeng","Titanium-Oxide Host Clusters with Exchangeable Guests.","Journal of the American Chemical Society","2017","","","","","10.1021/jacs.7b10565","","","0.71073","MoKα","","0.0982","0.0856","","","0.225","0.2348","","","","","","1.055","","","","has coordinates","204526","2020-10-21","18:00:00",""
"4126915","13.5076","0.0006","16.1427","0.0008","21.3336","0.001","69.897","0.003","72.364","0.003","67.624","0.003","3959.3","0.3","173","","173","","","","","","","","","5","P -1","-P 1","2","","","","- Br2 Cs4 O83 S8 Ti12 -","- Br2 Cs4 O78 S8 Ti12 -","- Br4 Cs8 O156 S16 Ti24 -","2","1","","Zhang, Guanyun; Li, Wenyun; Liu, Caiyun; Jia, Jiong; Tung, Chen-Ho; Wang, Yifeng","Titanium-Oxide Host Clusters with Exchangeable Guests.","Journal of the American Chemical Society","2017","","","","","10.1021/jacs.7b10565","","","0.71073","MoKα","","0.1759","0.1497","","","0.4247","0.4491","","","","","","1.792","","","","has coordinates,has disorder","204527","2020-10-21","18:00:00",""
"4126916","13.9221","0.001","23.0542","0.0015","17.7342","0.0012","90","","96.626","0.001","90","","5654","0.7","173","","173.15","","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C24 Cl18.66 Cs3 N6 O69 Ti12 -","- C24 Cl18.6667 Cs3 N6 O69 Ti12 -","- C48 Cl37.3334 Cs6 N12 O138 Ti24 -","2","1","","Zhang, Guanyun; Li, Wenyun; Liu, Caiyun; Jia, Jiong; Tung, Chen-Ho; Wang, Yifeng","Titanium-Oxide Host Clusters with Exchangeable Guests.","Journal of the American Chemical Society","2017","","","","","10.1021/jacs.7b10565","","","0.71073","MoKα","","0.1125","0.0866","","","0.2441","0.2713","","","","","","1.027","","","","has coordinates","204528","2020-10-21","18:00:00",""
"4126917","12.407","0.003","20.231","0.004","17.837","0.004","90","","92.139","0.002","90","","4474.1","1.7","173","","173","","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C12 Cl15 Cs3 N6 O64 Ti12 -","- C12 Cl15 Cs3 N6 O64 Ti12 -","- C24 Cl30 Cs6 N12 O128 Ti24 -","2","0.5","","Zhang, Guanyun; Li, Wenyun; Liu, Caiyun; Jia, Jiong; Tung, Chen-Ho; Wang, Yifeng","Titanium-Oxide Host Clusters with Exchangeable Guests.","Journal of the American Chemical Society","2017","","","","","10.1021/jacs.7b10565","","","0.71073","MoKα","","0.0392","0.0317","","","0.0865","0.0903","","","","","","1.055","","","","has coordinates","204529","2020-10-21","18:00:00",""
"4126918","16.673","0.005","22.411","0.006","22.543","0.007","75.807","0.003","79.387","0.003","80.338","0.003","7960","4","173","","173","","","","","","","","","6","P -1","-P 1","2","","","","- C30 Ca Cl15 N6 O58 Ti12 -","- C30 Ca Cl15 N6 O58 Ti12 -","- C90 Ca3 Cl45 N18 O174 Ti36 -","3","1.5","","Zhang, Guanyun; Li, Wenyun; Liu, Caiyun; Jia, Jiong; Tung, Chen-Ho; Wang, Yifeng","Titanium-Oxide Host Clusters with Exchangeable Guests.","Journal of the American Chemical Society","2017","","","","","10.1021/jacs.7b10565","","","0.71073","MoKα","","0.3053","0.2235","","","0.556","0.5814","","","","","","1.762","","","","has coordinates","204530","2020-10-21","18:00:00",""
"4126919","13.5494","0.0018","16.045","0.002","21.41","0.003","69.764","0.001","72.483","0.001","67.5","0.001","3957.7","0.9","173","2","173","2","","","","","","","","5","P -1","-P 1","2","","","","- Cl5 Cs5 O73 S7 Ti12 -","- Cl2 Cs5 O69 S7 Ti12 -","- Cl4 Cs10 O138 S14 Ti24 -","2","1","","Zhang, Guanyun; Li, Wenyun; Liu, Caiyun; Jia, Jiong; Tung, Chen-Ho; Wang, Yifeng","Titanium-Oxide Host Clusters with Exchangeable Guests.","Journal of the American Chemical Society","2017","","","","","10.1021/jacs.7b10565","","","0.71073","MoKα","","0.0959","0.0865","","","0.2479","0.2565","","","","","","1.042","","","","has coordinates","204531","2020-10-21","18:00:00",""
"4126920","27.9638","0.0008","31.2596","0.0011","13.6054","0.0004","90","","90","","90","","11893","0.6","173","","173","","","","","","","","","6","P 21 21 2","P 2 2ab","18","","","","- C30 Cl20 Cs3 N6 O66 Ti12 -","- C30 Cl17.5 Cs3 N6 O57.5 Ti12 -","- C120 Cl70 Cs12 N24 O230 Ti48 -","4","1","","Zhang, Guanyun; Li, Wenyun; Liu, Caiyun; Jia, Jiong; Tung, Chen-Ho; Wang, Yifeng","Titanium-Oxide Host Clusters with Exchangeable Guests.","Journal of the American Chemical Society","2017","","","","","10.1021/jacs.7b10565","","","0.71073","MoKα","","0.0791","0.0602","","","0.1592","0.1751","","","","","","1.049","","","","has coordinates","204532","2020-10-21","18:00:00",""
"4126921","10.1238","0.001","11.4618","0.0012","21.607","0.002","78.972","0.003","78.823","0.003","87.279","0.003","2414.1","0.4","200","2","200","2","","","","","","","","7","P -1","-P 1","2","","","","- C49 H59 F6 Fe N3 O8.5 P -","- C49 H59 F6 Fe N3 O8.5 P -","- C98 H118 F12 Fe2 N6 O17 P2 -","2","1","","Cheng, Shao-Chi; Chen, Kai-Jen; Suzaki, Yuji; Tsuchido, Yoshitaka; Kuo, Ting-Shen; Osakada, Kohtaro; Horie, Masaki","Reversible Laser-Induced Bending of Pseudorotaxane Crystals.","Journal of the American Chemical Society","2017","","","","","10.1021/jacs.7b10998","","","0.71073","MoKα","","0.1446","0.0739","","","0.1068","0.1271","","","","","","1.065","","","","has coordinates","204544","2020-10-21","18:00:00",""
"4126922","12.0619","0.0006","12.0551","0.0007","38.42","0.002","90","","96.062","0.003","90","","5555.3","0.5","200","2","200","2","","","","","","","","8","P 1 21/n 1","-P 2yn","14","","","","- C48 H52 Br4 F6 Fe N3 O8 P -","- C48 H52 Br4 F6 Fe N3 O8 P -","- C192 H208 Br16 F24 Fe4 N12 O32 P4 -","4","1","","Cheng, Shao-Chi; Chen, Kai-Jen; Suzaki, Yuji; Tsuchido, Yoshitaka; Kuo, Ting-Shen; Osakada, Kohtaro; Horie, Masaki","Reversible Laser-Induced Bending of Pseudorotaxane Crystals.","Journal of the American Chemical Society","2017","","","","","10.1021/jacs.7b10998","","","0.71073","MoKα","","0.1839","0.066","","","0.1404","0.1676","","","","","","0.928","","","","has coordinates,has disorder","204545","2020-10-21","18:00:00",""
"4126923","10.1921","0.0015","11.4742","0.0014","21.692","0.003","86.353","0.011","85.801","0.011","86.926","0.009","2521.8","0.6","200","2","200","2","","","","","","","","7","P -1","-P 1","2","","","","- C48 H56 F6 Fe N3 O8 P -","- C48 H56 F6 Fe N3 O8 P -","- C96 H112 F12 Fe2 N6 O16 P2 -","2","1","","Cheng, Shao-Chi; Chen, Kai-Jen; Suzaki, Yuji; Tsuchido, Yoshitaka; Kuo, Ting-Shen; Osakada, Kohtaro; Horie, Masaki","Reversible Laser-Induced Bending of Pseudorotaxane Crystals.","Journal of the American Chemical Society","2017","","","","","10.1021/jacs.7b10998","","","0.71073","MoKα","","0.2764","0.111","","","0.2316","0.2832","","","","","","0.892","","","","has coordinates,has disorder","204546","2020-10-21","18:00:00",""
"4126924","12.088","0.002","20.287","0.004","20.271","0.004","90","","102.2","0.03","90","","4858.8","1.7","293","2","293","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C51 H65 N2 O2 S2 Y -","- C51 H65 N2 O2 S2 Y -","- C204 H260 N8 O8 S8 Y4 -","4","1","","Tian, Haiwen; Hong, Jianquan; Wang, Kai; Del Rosal, Iker; Maron, Laurent; Zhou, Xigeng; Zhang, Lixin","An Unprecedented Reaction Mode of phosphorus in phosphinidene rare-earth complex: a joint experimental-theoretical study.","Journal of the American Chemical Society","2017","","","","","10.1021/jacs.7b11032","","","0.71073","MoKα","","0.0697","0.0419","","","0.1013","0.114","","","","","","1.041","","","","has coordinates","204598","2020-10-21","18:00:00",""
"4126925","15.0505","0.0016","15.6538","0.0016","26.496","0.003","78.745","0.002","74.276","0.002","75.352","0.002","5759.5","1.1","296","2","296","2","","","","","","","","6","P -1","-P 1","2","","","","- C104 H130 N6 P S4 Y3 -","- C104 H130 N6 P S4 Y3 -","- C208 H260 N12 P2 S8 Y6 -","2","1","","Tian, Haiwen; Hong, Jianquan; Wang, Kai; Del Rosal, Iker; Maron, Laurent; Zhou, Xigeng; Zhang, Lixin","An Unprecedented Reaction Mode of phosphorus in phosphinidene rare-earth complex: a joint experimental-theoretical study.","Journal of the American Chemical Society","2017","","","","","10.1021/jacs.7b11032","","","0.71073","MoKα","","0.1411","0.0749","","","0.2005","0.2685","","","","","","0.924","","","","has coordinates","204599","2020-10-21","18:00:00",""
"4126926","10.8763","0.0014","22.359","0.003","31.31","0.004","90","","107.442","0.004","90","","7264","1.6","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C76 H99 N6 P Y2 -","- C76 H99 N6 P Y2 -","- C304 H396 N24 P4 Y8 -","4","1","","Tian, Haiwen; Hong, Jianquan; Wang, Kai; Del Rosal, Iker; Maron, Laurent; Zhou, Xigeng; Zhang, Lixin","An Unprecedented Reaction Mode of phosphorus in phosphinidene rare-earth complex: a joint experimental-theoretical study.","Journal of the American Chemical Society","2017","","","","","10.1021/jacs.7b11032","","","0.71073","MoKα","","0.2059","0.112","","","0.2348","0.2752","","","","","","1.332","","","","has coordinates","204600","2020-10-21","18:00:00",""
"4126927","13.5557","0.0015","15.3382","0.0017","30.529","0.003","85.788","0.002","79.912","0.002","70.459","0.002","5888.7","1.1","193","2","193","2","","","","","","","","6","P -1","-P 1","2","","","","- C119 H140 N6 P2 S2 Y3 -","- C119 H140 N6 P2 S2 Y3 -","- C238 H280 N12 P4 S4 Y6 -","2","1","","Tian, Haiwen; Hong, Jianquan; Wang, Kai; Del Rosal, Iker; Maron, Laurent; Zhou, Xigeng; Zhang, Lixin","An Unprecedented Reaction Mode of phosphorus in phosphinidene rare-earth complex: a joint experimental-theoretical study.","Journal of the American Chemical Society","2017","","","","","10.1021/jacs.7b11032","","","0.71073","MoKα","","0.1726","0.0912","","","0.2304","0.2952","","","","","","1.086","","","","has coordinates","204601","2020-10-21","18:00:00",""
"4126928","11.8274","0.0015","13.263","0.0018","15.854","0.002","66.952","0.002","81.691","0.002","67.608","0.002","2115.9","0.5","203","2","203","2","","","","","","","","5","P -1","-P 1","2","","","","- C43 H49 N2 S2 Y -","- C43 H49 N2 S2 Y -","- C86 H98 N4 S4 Y2 -","2","1","","Tian, Haiwen; Hong, Jianquan; Wang, Kai; Del Rosal, Iker; Maron, Laurent; Zhou, Xigeng; Zhang, Lixin","An Unprecedented Reaction Mode of phosphorus in phosphinidene rare-earth complex: a joint experimental-theoretical study.","Journal of the American Chemical Society","2017","","","","","10.1021/jacs.7b11032","","","0.71073","MoKα","","0.1052","0.0673","","","0.1943","0.251","","","","","","1.126","","","","has coordinates","204602","2020-10-21","18:00:00",""
"4126929","15.401","0.006","21.019","0.008","22.18","0.008","104.401","0.006","110.072","0.006","90.263","0.007","6500","4","296","2","296","2","","","","","","","","5","P -1","-P 1","2","","","","- C111 H138 N7 P Y3 -","- C111 H138 N7 P Y3 -","- C222 H276 N14 P2 Y6 -","2","1","","Tian, Haiwen; Hong, Jianquan; Wang, Kai; Del Rosal, Iker; Maron, Laurent; Zhou, Xigeng; Zhang, Lixin","An Unprecedented Reaction Mode of phosphorus in phosphinidene rare-earth complex: a joint experimental-theoretical study.","Journal of the American Chemical Society","2017","","","","","10.1021/jacs.7b11032","","","0.71073","MoKα","","0.2006","0.1146","","","0.2724","0.3023","","","","","","1.045","","","","has coordinates","204603","2020-10-21","18:00:00",""
"4126930","16.82","0.02","19.34","0.03","21.81","0.03","93.95","0.03","109.96","0.03","107.14","0.03","6258","15","233","2","233","2","","","","","","","","6","P -1","-P 1","2","","","","- C108 H130 N6 O12 P Y3 -","- C108 H130 N6 O12 P Y3 -","- C216 H260 N12 O24 P2 Y6 -","2","1","","Tian, Haiwen; Hong, Jianquan; Wang, Kai; Del Rosal, Iker; Maron, Laurent; Zhou, Xigeng; Zhang, Lixin","An Unprecedented Reaction Mode of phosphorus in phosphinidene rare-earth complex: a joint experimental-theoretical study.","Journal of the American Chemical Society","2017","","","","","10.1021/jacs.7b11032","","","0.71073","MoKα","","0.1042","0.0715","","","0.1993","0.2303","","","","","","0.954","","","","has coordinates","204604","2020-10-21","18:00:00",""
"4126931","15.272","0.004","15.635","0.004","26.536","0.006","79.553","0.003","73.921","0.003","76.979","0.003","5884","3","293","2","293","2","","","","","","","","6","P -1","-P 1","2","","","","- C104 H130 Lu3 N6 P S4 -","- C104 H130 Lu3 N6 P S4 -","- C208 H260 Lu6 N12 P2 S8 -","2","1","","Tian, Haiwen; Hong, Jianquan; Wang, Kai; Del Rosal, Iker; Maron, Laurent; Zhou, Xigeng; Zhang, Lixin","An Unprecedented Reaction Mode of phosphorus in phosphinidene rare-earth complex: a joint experimental-theoretical study.","Journal of the American Chemical Society","2017","","","","","10.1021/jacs.7b11032","","","0.71073","MoKα","","0.0965","0.0511","","","0.1233","0.1348","","","","","","1.05","","","","has coordinates","204605","2020-10-21","18:00:00",""
"4126932","16.134","0.007","16.74","0.007","23.731","0.01","77.644","0.005","74.669","0.005","69.197","0.005","5727","4","273","2","273","2","","","","","","","","5","P -1","-P 1","2","","","","- C109 H131 N6 P Y3 -","- C109 H131 N6 P Y3 -","- C218 H262 N12 P2 Y6 -","2","1","","Tian, Haiwen; Hong, Jianquan; Wang, Kai; Del Rosal, Iker; Maron, Laurent; Zhou, Xigeng; Zhang, Lixin","An Unprecedented Reaction Mode of phosphorus in phosphinidene rare-earth complex: a joint experimental-theoretical study.","Journal of the American Chemical Society","2017","","","","","10.1021/jacs.7b11032","","","0.71073","MoKα","","0.1781","0.0949","","","0.2323","0.2488","","","","","","1.136","","","","has coordinates","204606","2020-10-21","18:00:00",""
"4126933","19.719","0.002","14.849","0.002","35.106","0.003","90","","90.104","0.005","90","","10279.3","1.9","113","","113","","","","","","","","","3","C 1 2/c 1","-C 2yc","15","","","","- C61 H64 O10 -","- C61 H54 O10 -","- C488 H432 O80 -","8","1","","Guo, Minjie; Wang, Xuemei; Zhan, Caihong; Demay-Drouhard, Paul; Li, Wenjiao; Du, Ke; Olson, Mark A.; Zuilhof, Han; Sue, Andrew C.-H.","Rim-Differentiated C5-Symmetric Tiara-Pillar[5]arenes.","Journal of the American Chemical Society","2017","","","","","10.1021/jacs.7b10767","","","0.71073","MoKα","","0.0938","0.066","","","0.1634","0.1857","","","","","","1.017","","","","has coordinates,has disorder","204624","2020-10-21","18:00:00",""
"4126934","11.8432","","12.2389","","21.2355","","81.873","","76.172","","64.056","","2685.23","","133","","133","","","","","","","","","3","P -1","-P 1","2","","","","- C61 H65 O10 -","- C61 H74 O10 -","- C122 H148 O20 -","2","1","","Guo, Minjie; Wang, Xuemei; Zhan, Caihong; Demay-Drouhard, Paul; Li, Wenjiao; Du, Ke; Olson, Mark A.; Zuilhof, Han; Sue, Andrew C.-H.","Rim-Differentiated C5-Symmetric Tiara-Pillar[5]arenes.","Journal of the American Chemical Society","2017","","","","","10.1021/jacs.7b10767","","","0.71073","MoKα","","0.106","0.0591","","","0.1492","0.1734","","","","","","1.018","","","","has coordinates","204624","2020-10-21","18:00:00",""
"4126935","12.3445","0.001","20.641","0.0015","23.2546","0.0018","90","","90","","90","","5925.3","0.8","133","","133","","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C66 H84 O10 -","- C66 H84 O10 -","- C264 H336 O40 -","4","1","","Guo, Minjie; Wang, Xuemei; Zhan, Caihong; Demay-Drouhard, Paul; Li, Wenjiao; Du, Ke; Olson, Mark A.; Zuilhof, Han; Sue, Andrew C.-H.","Rim-Differentiated C5-Symmetric Tiara-Pillar[5]arenes.","Journal of the American Chemical Society","2017","","","","","10.1021/jacs.7b10767","","","0.71073","MoKα","","0.0662","0.0466","","","0.1113","0.12","","","","","","1.021","","","","has coordinates,has disorder","204624","2020-10-21","18:00:00",""
"4126936","12.2345","0.0013","14.0997","0.0017","16.955","0.002","86.437","0.006","79.558","0.006","78.681","0.006","2819.3","0.6","133","","133","","","","","","","","","4","P -1","-P 1","2","","","","- C56 H63 Br5 O10 -","- C56 H63 Br4.981 O10 -","- C112 H126 Br9.962 O20 -","2","1","","Guo, Minjie; Wang, Xuemei; Zhan, Caihong; Demay-Drouhard, Paul; Li, Wenjiao; Du, Ke; Olson, Mark A.; Zuilhof, Han; Sue, Andrew C.-H.","Rim-Differentiated C5-Symmetric Tiara-Pillar[5]arenes.","Journal of the American Chemical Society","2017","","","","","10.1021/jacs.7b10767","","","0.71073","MoKα","","0.0845","0.0575","","","0.1623","0.1745","","","","","","1.074","","","","has coordinates","204624","2020-10-21","18:00:00",""
"4126937","11.9944","0.001","12.931","0.0013","21.517","0.002","87.544","0.008","76.492","0.006","71.424","0.006","3074.1","0.5","133","","133","","","","","","","","","5","P -1","-P 1","2","","","","- C60 H61 Br5 N2 O10 -","- C59.09 H61 Br4.852 N2 O10 -","- C118.18 H122 Br9.704 N4 O20 -","2","1","","Guo, Minjie; Wang, Xuemei; Zhan, Caihong; Demay-Drouhard, Paul; Li, Wenjiao; Du, Ke; Olson, Mark A.; Zuilhof, Han; Sue, Andrew C.-H.","Rim-Differentiated C5-Symmetric Tiara-Pillar[5]arenes.","Journal of the American Chemical Society","2017","","","","","10.1021/jacs.7b10767","","","0.71073","MoKα","","0.0928","0.0698","","","0.219","0.2293","","","","","","1.124","","","","has coordinates","204624","2020-10-21","18:00:00",""
"4126938","12.0426","0.0017","13.8291","0.0017","19.662","0.002","78.72","0.008","83.606","0.009","78.588","0.007","3138.7","0.7","133","","133","","","","","","","","","3","P -1","-P 1","2","","","","- C70.676 H59 O10 -","- C70.67 H59 O10 -","- C141.34 H118 O20 -","2","1","","Guo, Minjie; Wang, Xuemei; Zhan, Caihong; Demay-Drouhard, Paul; Li, Wenjiao; Du, Ke; Olson, Mark A.; Zuilhof, Han; Sue, Andrew C.-H.","Rim-Differentiated C5-Symmetric Tiara-Pillar[5]arenes.","Journal of the American Chemical Society","2017","","","","","10.1021/jacs.7b10767","","","0.71075","MoKα","","0.1285","0.0923","","","0.2958","0.3221","","","","","","1.1495","","","","has coordinates","204624","2020-10-21","18:00:00",""
"4126939","12.626","0.0003","14.7182","0.0002","17.313","0.0004","77.325","0.0016","80.6606","0.0018","80.012","0.0016","3065.39","0.11","100.01","0.13","100.01","0.13","","","","","","","","4","P -1","-P 1","2","","","","- C55 H65 N15 O10 -","- C55 H65 N15 O10 -","- C110 H130 N30 O20 -","2","1","","Guo, Minjie; Wang, Xuemei; Zhan, Caihong; Demay-Drouhard, Paul; Li, Wenjiao; Du, Ke; Olson, Mark A.; Zuilhof, Han; Sue, Andrew C.-H.","Rim-Differentiated C5-Symmetric Tiara-Pillar[5]arenes.","Journal of the American Chemical Society","2017","","","","","10.1021/jacs.7b10767","","x-ray","1.54178","CuKα","","0.0947","0.0839","","","0.2473","0.2574","","","","","","1.095","","","","has coordinates","255805","2020-10-21","18:00:00",""
"4126940","18.9755","0.0018","12.7943","0.0012","21.464","0.002","90","","98.717","0.002","90","","5150.8","0.8","133","","133","","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","","","- C61 H50 O10 -","- C61 H50 O10 -","- C244 H200 O40 -","4","1","","Guo, Minjie; Wang, Xuemei; Zhan, Caihong; Demay-Drouhard, Paul; Li, Wenjiao; Du, Ke; Olson, Mark A.; Zuilhof, Han; Sue, Andrew C.-H.","Rim-Differentiated C5-Symmetric Tiara-Pillar[5]arenes.","Journal of the American Chemical Society","2017","","","","","10.1021/jacs.7b10767","","","0.71073","MoKα","","0.0848","0.0684","","","0.1906","0.2039","","","","","","1.036","","","","has coordinates,has disorder","204624","2020-10-21","18:00:00",""
"4126941","8.209","0.005","10.724","0.005","15.454","0.008","77.642","0.014","89.114","0.017","86.724","0.016","1326.8","1.2","150","2","150","2","","","","","","","","5","P -1","-P 1","2","","","","- C29 H37 N2 O2 P -","- C29 H37 N2 O2 P -","- C58 H74 N4 O4 P2 -","2","1","","Liu, Liu Leo; Zhou, Jiliang; Cao, Levy L.; Andrews, Ryan; Falconer, Rosalyn L.; Russell, Christopher A.; Stephan, Douglas W.","A Transient Vinylphosphinidene via a Phosphirene-Phosphinidene Rearrangement.","Journal of the American Chemical Society","2017","","","","","10.1021/jacs.7b11791","","","0.71073","MoKα","","0.133","0.0704","","","0.1622","0.1967","","","","","","1.004","","","","has coordinates","204625","2020-10-21","18:00:00",""
"4126942","8.547","0.002","32.301","0.008","10.629","0.003","90","","91.684","0.003","90","","2933.2","1.3","150","2","150","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C32.5 H41 N2 O2 P -","- C32.5 H41 N2 O2 P -","- C130 H164 N8 O8 P4 -","4","2","","Liu, Liu Leo; Zhou, Jiliang; Cao, Levy L.; Andrews, Ryan; Falconer, Rosalyn L.; Russell, Christopher A.; Stephan, Douglas W.","A Transient Vinylphosphinidene via a Phosphirene-Phosphinidene Rearrangement.","Journal of the American Chemical Society","2017","","","","","10.1021/jacs.7b11791","","","0.71073","MoKα","","0.1285","0.0719","","","0.1572","0.1812","","","","","","1.014","","","","has coordinates","204625","2020-10-21","18:00:00",""
"4126943","9.814","0.003","12.14","0.005","17.306","0.006","77.489","0.011","75.254","0.009","85.778","0.01","1946.2","1.2","150","2","150","2","","","","","","","","6","P -1","-P 1","2","","","","- C42 H45 Cl4 N2 O4 P -","- C42 H45 Cl4 N2 O4 P -","- C84 H90 Cl8 N4 O8 P2 -","2","1","","Liu, Liu Leo; Zhou, Jiliang; Cao, Levy L.; Andrews, Ryan; Falconer, Rosalyn L.; Russell, Christopher A.; Stephan, Douglas W.","A Transient Vinylphosphinidene via a Phosphirene-Phosphinidene Rearrangement.","Journal of the American Chemical Society","2017","","","","","10.1021/jacs.7b11791","","","0.71073","MoKα","","0.1909","0.0928","","","0.2224","0.2781","","","","","","1.022","","","","has coordinates","204625","2020-10-21","18:00:00",""
"4126944","16.879","0.0018","9.6041","0.001","26.349","0.003","90","","91.212","0.003","90","","4270.4","0.8","150","2","150","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C41 H37 Cl8 N2 O6 P -","- C41 H37 Cl8 N2 O6 P -","- C164 H148 Cl32 N8 O24 P4 -","4","1","","Liu, Liu Leo; Zhou, Jiliang; Cao, Levy L.; Andrews, Ryan; Falconer, Rosalyn L.; Russell, Christopher A.; Stephan, Douglas W.","A Transient Vinylphosphinidene via a Phosphirene-Phosphinidene Rearrangement.","Journal of the American Chemical Society","2017","","","","","10.1021/jacs.7b11791","","","0.71073","MoKα","","0.1059","0.0513","","","0.1","0.1203","","","","","","1.009","","","","has coordinates","204625","2020-10-21","18:00:00",""
"4126945","9.7089","0.0018","10.2731","0.0016","15.289","0.003","76.522","0.005","81.575","0.006","78.255","0.005","1444","0.5","150","2","150","2","","","","","","","","7","P -1","-P 1","2","","","","- C29 H37 Au Cl N2 O2 P -","- C29 H37 Au Cl N2 O2 P -","- C58 H74 Au2 Cl2 N4 O4 P2 -","2","1","","Liu, Liu Leo; Zhou, Jiliang; Cao, Levy L.; Andrews, Ryan; Falconer, Rosalyn L.; Russell, Christopher A.; Stephan, Douglas W.","A Transient Vinylphosphinidene via a Phosphirene-Phosphinidene Rearrangement.","Journal of the American Chemical Society","2017","","","","","10.1021/jacs.7b11791","","","0.71073","MoKα","","0.0244","0.0211","","","0.0549","0.0562","","","","","","1.086","","","","has coordinates","204625","2020-10-21","18:00:00",""
"4126946","10.688","0.002","14.52","0.004","15.294","0.005","90","","93.664","0.019","90","","2368.6","1.1","100","2","100","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C20 H31 Cl3 Ge N P -","- C20 H31 Cl3 Ge N P -","- C80 H124 Cl12 Ge4 N4 P4 -","4","1","","Kundu, Subrata; Sinhababu, Soumen; Luebben, Anna V.; Mondal, Totan; Koley, Debasis; Dittrich, Birger; Roesky, Herbert W.","Reagent for Introducing Base-Stabilized Phosphorus Atoms into Organic and Inorganic Compounds.","Journal of the American Chemical Society","2017","","","","","10.1021/jacs.7b11977","","","0.6199","synchrotron","","0.049","0.0486","","","0.1196","0.1203","","","","","","1.045","","","","has coordinates","204634","2020-10-21","18:00:00",""
"4126947","9.4012","0.0003","11.6829","0.0004","26.3727","0.0008","77.436","0.001","80.496","0.001","88.659","0.001","2788.19","0.16","100","2","100","2","","","","","","","","6","P -1","-P 1","2","","","","- C56 H94 Li2 N2 O4 P2 -","- C56 H94 Li2 N2 O4 P2 -","- C112 H188 Li4 N4 O8 P4 -","2","1","","Kundu, Subrata; Sinhababu, Soumen; Luebben, Anna V.; Mondal, Totan; Koley, Debasis; Dittrich, Birger; Roesky, Herbert W.","Reagent for Introducing Base-Stabilized Phosphorus Atoms into Organic and Inorganic Compounds.","Journal of the American Chemical Society","2017","","","","","10.1021/jacs.7b11977","","","0.71073","MoKα","","0.0554","0.0413","","","0.1054","0.1147","","","","","","1.023","","","","has coordinates,has disorder","204635","2020-10-21","18:00:00",""
"4126948","7.8925","0.0005","10.6053","0.0008","18.5694","0.0012","92.744","0.002","90.917","0.002","111.231","0.002","1446.22","0.17","173","","173","","","","","","","","","5","P -1","-P 1","2","","","","- C13 H14 Br N O6 -","- C13 H14 Br N O6 -","- C52 H56 Br4 N4 O24 -","4","2","","Wu, Yunxiang; Chen, Zhaoqiang; Yang, Yaxi; Zhu, Weiliang; Zhou, Bing","Rh(III)-Catalyzed Redox-Neutral Unsymmetrical C-H Alkylation and Amidation Reactions of N-Phenoxyacetamides.","Journal of the American Chemical Society","2017","","","","","10.1021/jacs.7b10349","","","0.71073","MoKα","","0.0777","0.0467","","","0.1163","0.1309","","","","","","0.988","","","","has coordinates","204636","2020-10-21","18:00:00",""
"4126949","14.279","0.006","14.958","0.006","28.802","0.012","93.368","0.007","102.082","0.007","103.927","0.007","5800","4","100","2","100","2","","","","","","","","4","P -1","-P 1","2","","","","- C128 H118 Cu20 O17 -","- C128 H118 Cu20 O17 -","- C256 H236 Cu40 O34 -","2","1","","Cook, Andrew W.; Jones, Zachary R.; Wu, Guang; Scott, Susannah L.; Hayton, Trevor W.","An Organometallic Cu20 Nanocluster: Synthesis, Characterization, Immobilization on Silica, and ""Click"" Chemistry.","Journal of the American Chemical Society","2017","","","","","10.1021/jacs.7b10960","","","0.71073","MoKα","","0.2237","0.1191","","","0.249","0.3018","","","","","","1.056","","","","has coordinates","204637","2020-10-21","18:00:00",""
"4126950","6.81","0.03","6.81","0.03","6.81","0.03","90","","90","","90","","316","2","400","","400","","","","","","","","","5","P m -3 m","-P 4 2 3","221","","","","- C4 H12 Cl4 Fe N -","- C3.9996 Cl3.9996 Fe N -","- C3.9996 Cl3.9996 Fe N -","1","0.0208333","","Harada, Jun; Yoneyama, Naho; Yokokura, Seiya; Takahashi, Yukihiro; Miura, Atsushi; Kitamura, Noboru; Inabe, Tamotsu","Ferroelectricity and Piezoelectricity in Free-Standing Polycrystalline Films of Plastic Crystals.","Journal of the American Chemical Society","2017","","","","","10.1021/jacs.7b10539","","","0.71073","MoKα","","0.1905","0.174","","","0.464","0.5132","","","","","","2.166","","","","has coordinates","204638","2020-10-21","18:00:00",""
"4126951","7.218","0.008","9.019","0.009","9.362","0.01","90","","90","","90","","609.5","1.1","330","","330","","","","","","","","","5","A m m 2","A 2 -2","38","","","","- C4 H12 Cl4 Fe N -","- C4 H13 Cl4 Fe N -","- C8 H26 Cl8 Fe2 N2 -","2","0.25","","Harada, Jun; Yoneyama, Naho; Yokokura, Seiya; Takahashi, Yukihiro; Miura, Atsushi; Kitamura, Noboru; Inabe, Tamotsu","Ferroelectricity and Piezoelectricity in Free-Standing Polycrystalline Films of Plastic Crystals.","Journal of the American Chemical Society","2017","","","","","10.1021/jacs.7b10539","","","0.71073","MoKα","","0.0367","0.0355","","","0.0997","0.1008","","","","","","1.127","","","","has coordinates","204639","2020-10-21","18:00:00",""
"4126952","6.4415","0.0015","13.071","0.003","14.001","0.003","90","","90","","90","","1178.8","0.5","250","","250","","","","","","","","","5","P b c m","-P 2c 2b","57","","","","- C4 H12 Cl4 Fe N -","- C4 H12 Cl4 Fe N -","- C16 H48 Cl16 Fe4 N4 -","4","0.5","","Harada, Jun; Yoneyama, Naho; Yokokura, Seiya; Takahashi, Yukihiro; Miura, Atsushi; Kitamura, Noboru; Inabe, Tamotsu","Ferroelectricity and Piezoelectricity in Free-Standing Polycrystalline Films of Plastic Crystals.","Journal of the American Chemical Society","2017","","","","","10.1021/jacs.7b10539","","","0.71073","MoKα","","0.0625","0.0445","","","0.1137","0.1271","","","","","","1.038","","","","has coordinates","204640","2020-10-21","18:00:00",""
"4126953","14.268","0.005","6.442","0.002","6.451","0.002","90","","90","","90","","592.9","0.3","300","","300","","","","","","","","","5","P m a 2","P 2 -2a","28","","","","- C4 H12 Cl4 Fe N -","- C4 H12 Cl4 Fe N -","- C8 H24 Cl8 Fe2 N2 -","2","0.5","","Harada, Jun; Yoneyama, Naho; Yokokura, Seiya; Takahashi, Yukihiro; Miura, Atsushi; Kitamura, Noboru; Inabe, Tamotsu","Ferroelectricity and Piezoelectricity in Free-Standing Polycrystalline Films of Plastic Crystals.","Journal of the American Chemical Society","2017","","","","","10.1021/jacs.7b10539","","","0.71073","MoKα","","0.0249","0.0246","","","0.0714","0.072","","","","","","1.089","","","","has coordinates,has disorder","204641","2020-10-21","18:00:00",""
"4126954","8.964","0.009","9.618","0.009","14.158","0.013","90","","90","","90","","1221","2","360","","360","","","","","","","","","5","C m c m","-C 2c 2","63","","","","- C4 H12 Cl4 Fe N -","- C4 H12 Cl4 Fe N -","- C16 H48 Cl16 Fe4 N4 -","4","0.25","","Harada, Jun; Yoneyama, Naho; Yokokura, Seiya; Takahashi, Yukihiro; Miura, Atsushi; Kitamura, Noboru; Inabe, Tamotsu","Ferroelectricity and Piezoelectricity in Free-Standing Polycrystalline Films of Plastic Crystals.","Journal of the American Chemical Society","2017","","","","","10.1021/jacs.7b10539","","","0.71073","MoKα","","0.0795","0.0636","","","0.1943","0.2068","","","","","","1.114","","","","has coordinates,has disorder","204642","2020-10-21","18:00:00",""
"4126955","9.2189","0.0002","10.5914","0.0003","22.0654","0.0006","90","","90","","90","","2154.49","0.1","100","","100","","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","JLH-1-029","JLH-1-029","","- C23 H20 Cl2 N2 Ni O2 -","- C23 H20 Cl2 N2 Ni O2 -","- C92 H80 Cl8 N8 Ni4 O8 -","4","1","","Hofstra, Julie L.; Cherney, Alan H.; Ordner, Ciara M.; Reisman, Sarah E.","Synthesis of Enantioenriched Allylic Silanes via Nickel-Catalyzed Reductive Cross-Coupling.","Journal of the American Chemical Society","2017","","","","","10.1021/jacs.7b11707","","","0.71073","MoKα","","0.0985","0.0474","","","0.0701","0.0785","","","","","","1.042","","","","has coordinates","204643","2020-10-21","18:00:00",""
"4126956","14.8277","0.0018","15.771","0.002","16.569","0.002","90","","116.546","0.004","90","","3466.1","0.7","100","","100","","","","","","","","","6","P 1 21 1","P 2yb","4","JLH-5-218","JLH-5-218","","- C71.73 H64.73 Cl8.54 N6.73 Ni3 O6 -","- C71.731 H64.731 Cl8.538 N6.731 Ni3 O6 -","- C143.462 H129.462 Cl17.076 N13.462 Ni6 O12 -","2","1","","Hofstra, Julie L.; Cherney, Alan H.; Ordner, Ciara M.; Reisman, Sarah E.","Synthesis of Enantioenriched Allylic Silanes via Nickel-Catalyzed Reductive Cross-Coupling.","Journal of the American Chemical Society","2017","","","","","10.1021/jacs.7b11707","","","0.71073","MoKα","","0.0541","0.0388","","","0.0842","0.0891","","","","","","1.022","","","","has coordinates,has disorder","204644","2020-10-21","18:00:00",""
"4126957","6.408","0.0003","12.5679","0.0005","30.4781","0.0013","90","","90","","90","","2454.56","0.18","270","","270","","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","JLH-4-295","JLH-4-295","","- C24 H33 B O2 Si -","- C24 H33 B O2 Si -","- C96 H132 B4 O8 Si4 -","4","1","","Hofstra, Julie L.; Cherney, Alan H.; Ordner, Ciara M.; Reisman, Sarah E.","Synthesis of Enantioenriched Allylic Silanes via Nickel-Catalyzed Reductive Cross-Coupling.","Journal of the American Chemical Society","2017","","","","","10.1021/jacs.7b11707","","","0.71073","MoKα","","0.1483","0.0626","","","0.1005","0.1207","","","","","","1.037","","","","has coordinates,has disorder","204645","2020-10-21","18:00:00",""
"4126958","9.4021","0.0017","12.198","0.003","16.984","0.004","73.599","0.008","80.485","0.011","88.031","0.008","1842.7","0.7","100","","100","","","","","","","","","6","P -1","-P 1","2","","","","- C42 H54 Cl Mn N2 O3 -","- C42 H54 Cl Mn N2 O3 -","- C84 H108 Cl2 Mn2 N4 O6 -","2","1","","Hooe, Shelby; Rheingold, Arnold L.; Machan, Charles W.","Electrocatalytic Reduction of Dioxygen to Hydrogen Peroxide by a Molecular Manganese Complex with a Bipyridine-Containing Schiff Base Ligand.","Journal of the American Chemical Society","2017","","","","","10.1021/jacs.7b09027","","x-ray","0.71073","MoKα","K-L~3~","0.0673","0.0427","","","0.0856","0.0955","","","","","","1.025","","","","has coordinates,has disorder","204657","2020-10-21","18:00:00",""
"4126962","25.4435","0.0006","18.6729","0.0004","26.5311","0.0006","90","","103.131","0.002","90","","12275.4","0.5","150","0.1","150","0.1","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C112 H231.1 Ag44 N23 O59 S20 -","- C112 H231.096 Ag44 N23 O59 S20 -","- C224 H462.192 Ag88 N46 O118 S40 -","2","1","","Li, Si; Du, Xiang-Sha; Li, Bing; Wang, Jia-Yin; Li, Guo-Ping; Gao, Guang-Gang; Zang, Shuang-Quan","Atom-precise Modification of Silver(I) Thiolate Cluster by Shell Ligand Substitution: A New Approach to Generation of Cluster Functionality and Chirality.","Journal of the American Chemical Society","2017","","","","","10.1021/jacs.7b12136","","","0.71073","MoKα","","0.0596","0.0517","","","0.1281","0.1319","","","","","","1.022","","","","has coordinates,has disorder","204702","2020-10-21","18:00:00",""
"4126963","20.56346","0.00016","16.62466","0.00015","20.64665","0.00018","90","","94.2166","0.0008","90","","7039.17","0.1","150","0.1","150","0.1","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C89 H171 Ag24 N16 O35 S10 -","- C89 H171 Ag24 N16 O35 S10 -","- C178 H342 Ag48 N32 O70 S20 -","2","1","","Li, Si; Du, Xiang-Sha; Li, Bing; Wang, Jia-Yin; Li, Guo-Ping; Gao, Guang-Gang; Zang, Shuang-Quan","Atom-precise Modification of Silver(I) Thiolate Cluster by Shell Ligand Substitution: A New Approach to Generation of Cluster Functionality and Chirality.","Journal of the American Chemical Society","2017","","","","","10.1021/jacs.7b12136","","x-ray","1.54184","CuKα","","0.0477","0.0427","","","0.1141","0.1169","","","","","","1.073","","","","has coordinates,has disorder","204703","2020-10-21","18:00:00",""
"4126964","12.7881","0.0006","19.0112","0.0009","29.1847","0.0014","90","","101.212","0.0015","90","","6959.9","0.6","100","2","100","2","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C73 H150.72 Ag23 N11 O28 S10 -","- C73 H150.72 Ag23 N11 O28 S10 -","- C146 H301.44 Ag46 N22 O56 S20 -","2","1","","Li, Si; Du, Xiang-Sha; Li, Bing; Wang, Jia-Yin; Li, Guo-Ping; Gao, Guang-Gang; Zang, Shuang-Quan","Atom-precise Modification of Silver(I) Thiolate Cluster by Shell Ligand Substitution: A New Approach to Generation of Cluster Functionality and Chirality.","Journal of the American Chemical Society","2017","","","","","10.1021/jacs.7b12136","","","0.71073","MoKα","","0.0767","0.0463","","","0.1037","0.116","","","","","","1.027","","","","has coordinates,has disorder","204704","2020-10-21","18:00:00",""
"4126965","20.554","0.0003","16.6389","0.0002","20.6842","0.0002","90","","94.4709","0.001","90","","7052.39","0.15","150","0.1","150","0.1","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C89 H170 Ag24 N16 O35 S10 -","- C89 H170 Ag24 N16 O35 S10 -","- C178 H340 Ag48 N32 O70 S20 -","2","1","","Li, Si; Du, Xiang-Sha; Li, Bing; Wang, Jia-Yin; Li, Guo-Ping; Gao, Guang-Gang; Zang, Shuang-Quan","Atom-precise Modification of Silver(I) Thiolate Cluster by Shell Ligand Substitution: A New Approach to Generation of Cluster Functionality and Chirality.","Journal of the American Chemical Society","2017","","","","","10.1021/jacs.7b12136","","x-ray","1.54184","CuKα","","0.0514","0.0439","","","0.1282","0.132","","","","","","1.143","","","","has coordinates,has disorder","204705","2020-10-21","18:00:00",""
"4126966","15.2883","0.0004","16.3501","0.0004","16.6836","0.0004","77.024","0.002","87.2409","0.0019","89.331","0.002","4059.11","0.18","100","0.1","100","0.1","","","","","","","","7","P -1","-P 1","2","","","","- C139 H181 Ag20 Fe8 N5 O21 S10 -","- C139 H181 Ag20 Fe8 N5 O21 S10 -","- C139 H181 Ag20 Fe8 N5 O21 S10 -","1","0.5","","Li, Si; Du, Xiang-Sha; Li, Bing; Wang, Jia-Yin; Li, Guo-Ping; Gao, Guang-Gang; Zang, Shuang-Quan","Atom-precise Modification of Silver(I) Thiolate Cluster by Shell Ligand Substitution: A New Approach to Generation of Cluster Functionality and Chirality.","Journal of the American Chemical Society","2017","","","","","10.1021/jacs.7b12136","","x-ray","1.54184","CuKα","","0.0602","0.0559","","","0.1444","0.1473","","","","","","1.014","","","","has coordinates,has disorder","204706","2020-10-21","18:00:00",""
"4126967","15.9602","0.0003","18.3264","0.0005","19.1435","0.0005","77.201","0.002","65.553","0.002","87.6086","0.0017","4962.8","0.2","200","10","200","10","","","","","","","","6","P -1","-P 1","2","","","","- C161 H166 Ag20 N12 O35 S10 -","- C161 H166 Ag20 N12 O35 S10 -","- C161 H166 Ag20 N12 O35 S10 -","1","0.5","","Li, Si; Du, Xiang-Sha; Li, Bing; Wang, Jia-Yin; Li, Guo-Ping; Gao, Guang-Gang; Zang, Shuang-Quan","Atom-precise Modification of Silver(I) Thiolate Cluster by Shell Ligand Substitution: A New Approach to Generation of Cluster Functionality and Chirality.","Journal of the American Chemical Society","2017","","","","","10.1021/jacs.7b12136","","","1.54184","CuKα","","0.0804","0.0697","","","0.1909","0.1989","","","","","","1.012","","","","has coordinates","204707","2020-10-21","18:00:00",""
"4126968","24.3829","0.0002","16.30723","0.00014","31.0829","0.0003","90","","108.553","0.0011","90","","11716.8","0.19","200","0.1","200","0.1","","","","","","","","6","I 1 2/a 1","-I 2ya","15","","","","- C57 H124 Ag20 N12 O31 S10 -","- C57 H124 Ag20 N12 O31 S10 -","- C228 H496 Ag80 N48 O124 S40 -","4","0.5","","Li, Si; Du, Xiang-Sha; Li, Bing; Wang, Jia-Yin; Li, Guo-Ping; Gao, Guang-Gang; Zang, Shuang-Quan","Atom-precise Modification of Silver(I) Thiolate Cluster by Shell Ligand Substitution: A New Approach to Generation of Cluster Functionality and Chirality.","Journal of the American Chemical Society","2017","","","","","10.1021/jacs.7b12136","","","1.54184","CuKα","","0.1067","0.1013","","","0.3488","0.3631","","","","","","1.025","","","","has coordinates,has disorder","204708","2020-10-21","18:00:00",""
"4126969","25.3829","0.0004","18.6898","0.0003","26.4246","0.0004","90","","103.061","0.0015","90","","12211.5","0.3","150","0.1","150","0.1","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C112 H234 Ag44 N23 O58.5 S20 -","- C112 H234 Ag44 N23 O58.5 S20 -","- C224 H468 Ag88 N46 O117 S40 -","2","1","","Li, Si; Du, Xiang-Sha; Li, Bing; Wang, Jia-Yin; Li, Guo-Ping; Gao, Guang-Gang; Zang, Shuang-Quan","Atom-precise Modification of Silver(I) Thiolate Cluster by Shell Ligand Substitution: A New Approach to Generation of Cluster Functionality and Chirality.","Journal of the American Chemical Society","2017","","","","","10.1021/jacs.7b12136","","","0.71073","MoKα","","0.058","0.0474","","","0.1217","0.1267","","","","","","1.063","","","","has coordinates,has disorder","204709","2020-10-21","18:00:00",""
"4126970","12.7544","0.0006","18.96","0.001","29.1922","0.0015","90","","101.074","0.0016","90","","6927.9","0.6","100","2","100","2","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C73 H147.7 Ag23 N11 O28 S10 -","- C73 H147.717 Ag23 N11 O28 S10 -","- C146 H295.433 Ag46 N22 O56 S20 -","2","1","","Li, Si; Du, Xiang-Sha; Li, Bing; Wang, Jia-Yin; Li, Guo-Ping; Gao, Guang-Gang; Zang, Shuang-Quan","Atom-precise Modification of Silver(I) Thiolate Cluster by Shell Ligand Substitution: A New Approach to Generation of Cluster Functionality and Chirality.","Journal of the American Chemical Society","2017","","","","","10.1021/jacs.7b12136","","","0.71073","MoKα","","0.1094","0.0564","","","0.1317","0.1446","","","","","","1.046","","","","has coordinates,has disorder","204710","2020-10-21","18:00:00",""
"4126971","13.3254","0.0002","17.0097","0.0003","17.0989","0.0003","68.069","0.002","76.262","0.002","76.778","0.002","3449.91","0.11","220","0.1","220","0.1","","","","","","","","6","P -1","-P 1","2","","","","- C109 H154 Ag20 N4 O21 S10 -","- C109 H154 Ag20 N4 O21 S10 -","- C109 H154 Ag20 N4 O21 S10 -","1","0.5","","Li, Si; Du, Xiang-Sha; Li, Bing; Wang, Jia-Yin; Li, Guo-Ping; Gao, Guang-Gang; Zang, Shuang-Quan","Atom-precise Modification of Silver(I) Thiolate Cluster by Shell Ligand Substitution: A New Approach to Generation of Cluster Functionality and Chirality.","Journal of the American Chemical Society","2017","","","","","10.1021/jacs.7b12136","","x-ray","1.54184","CuKα","","0.0821","0.0798","","","0.2014","0.2024","","","","","","1.136","","","","has coordinates,has disorder","204711","2020-10-21","18:00:00",""
"4126977","7.3084","0.0004","10.355","0.0005","11.3185","0.0006","72.568","0.003","71.515","0.003","81.227","0.003","773.5","0.07","173","2","173","2","","","","","","","synthetic","6","P -1","-P 1","2","potassium bis(quinolin-8-olate)copper(I)","","","- C18 H12 Cu K N2 O2 -","- C18 H12 Cu K N2 O2 -","- C36 H24 Cu2 K2 N4 O4 -","2","1","","Giri, Ramesh; Brusoe, Andrew; Troshin, Konstantin; Wang, Justin Y.; Font, Marc; Hartwig, John F.","Mechanism of the Ullmann Biaryl Ether Synthesis Catalyzed by Complexes of Anionic Ligands. Evidence for the Reaction of Iodoarenes With Ligated Anionic CuI Intermediates.","Journal of the American Chemical Society","2017","","","","","10.1021/jacs.7b11853","","","0.71073","MoKα","","0.0315","0.0255","","","0.0635","0.0661","","","","","","1.068","","","","has coordinates","204759","2020-10-21","18:00:00",""
"4126978","28.2361","0.0008","17.0454","0.0005","25.886","0.0011","90","","122.295","0.001","90","","10531.5","0.6","173","2","173","2","","","","","","","synthetic","5","C 1 2/c 1","-C 2yc","15","potassium bis(2,2,6,6-tetramethyl-5-oxohept-3-en-3-olate)copper(I)","","","- C93 H164 Cu4 K4 O16 -","- C88 H152 Cu4 K4 O16 -","- C352 H608 Cu16 K16 O64 -","4","0.5","","Giri, Ramesh; Brusoe, Andrew; Troshin, Konstantin; Wang, Justin Y.; Font, Marc; Hartwig, John F.","Mechanism of the Ullmann Biaryl Ether Synthesis Catalyzed by Complexes of Anionic Ligands. Evidence for the Reaction of Iodoarenes With Ligated Anionic CuI Intermediates.","Journal of the American Chemical Society","2017","","","","","10.1021/jacs.7b11853","","","1.54178","CuKα","","0.0566","0.0449","","","0.1189","0.1251","","","","","","1.036","","","","has coordinates,has disorder","204760","2020-10-21","18:00:00",""
"4126979","7.9947","0.0004","13.5976","0.0005","14.9636","0.0007","65.731","0.003","82.036","0.004","82.58","0.004","1463.91","0.12","133","2","133","2","","","","","","","","5","P -1","-P 1","2","{(μ-bipy)[FeL5i(MeOH)]2.2 MeOH}","","","- C62 H64 Fe2 N10 O16 -","- C62 H64 Fe2 N10 O16 -","- C62 H64 Fe2 N10 O16 -","1","0.5","","Lochenie, Charles; Schötz, Konstantin; Panzer, Fabian; Kurz, Hannah; Maier, Bernadette; Puchtler, Florian; Agarwal, Seema; Köhler, Anna; Weber, Birgit","Spin crossover iron(II) coordination polymer with fluorescent properties: correlation between emission properties and spin state.","Journal of the American Chemical Society","2017","","","","","10.1021/jacs.7b10571","","","0.71069","MoKα","","0.0667","0.0558","","","0.1532","0.1614","","","","","","0.968","","","","has coordinates","204761","2020-10-21","18:00:00",""
"4126986","14.912","0.009","10.648","0.006","17.003","0.012","90","","115.15","0.03","90","","2444","3","100","2","100","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C52 H82 B2 Li2 N2 O2 -","- C52 H82 B2 Li2 N2 O2 -","- C104 H164 B4 Li4 N4 O4 -","2","0.5","","Böhnke, Julian; Braunschweig, Holger; Jiménez-Halla, J Oscar C; Krummenacher, Ivo; Stennett, Tom E.","Half-Sandwich Complexes of an Extremely Electron-Donating, Redox-Active η6-Diborabenzene Ligand.","Journal of the American Chemical Society","2017","","","","","10.1021/jacs.7b12394","","","0.71073","MoKα","","0.0845","0.0559","","","0.1133","0.126","","","","","","1.066","","","","has coordinates","204936","2020-10-21","18:00:00",""
"4126987","16.427","0.006","22.131","0.007","27.116","0.008","90","","90","","90","","9858","6","101","2","101","2","","","","","","","","6","P b c a","-P 2ac 2ab","61","","","","- C53 H72 B2 N2 O3 W -","- C53 H72 B2 N2 O3 W -","- C424 H576 B16 N16 O24 W8 -","8","1","","Böhnke, Julian; Braunschweig, Holger; Jiménez-Halla, J Oscar C; Krummenacher, Ivo; Stennett, Tom E.","Half-Sandwich Complexes of an Extremely Electron-Donating, Redox-Active η6-Diborabenzene Ligand.","Journal of the American Chemical Society","2017","","","","","10.1021/jacs.7b12394","","","0.71073","MoKα","","0.0365","0.0226","","","0.0439","0.0485","","","","","","1.034","","","","has coordinates,has disorder","204937","2020-10-21","18:00:00",""
"4126988","10.4746","0.0005","14.3447","0.0009","20.4846","0.0013","74.006","0.003","88.671","0.002","77.596","0.002","2887.6","0.3","103","2","103","2","","","","","","","","7","P -1","-P 1","2","","","","- C122 H176 B4 Li2 N4 O10 W2 -","- C122 H176 B4 Li2 N4 O10 W2 -","- C122 H176 B4 Li2 N4 O10 W2 -","1","0.5","","Böhnke, Julian; Braunschweig, Holger; Jiménez-Halla, J Oscar C; Krummenacher, Ivo; Stennett, Tom E.","Half-Sandwich Complexes of an Extremely Electron-Donating, Redox-Active η6-Diborabenzene Ligand.","Journal of the American Chemical Society","2017","","","","","10.1021/jacs.7b12394","","","0.71073","MoKα","","0.053","0.0388","","","0.077","0.0797","","","","","","1.074","","","","has coordinates,has disorder","204938","2020-10-21","18:00:00",""
"4126989","16.431","0.009","22.145","0.012","27.09","0.015","90","","90","","90","","9857","9","100","2","100","2","","","","","","","","6","P b c a","-P 2ac 2ab","61","","","","- C53 H72 B2 Mo N2 O3 -","- C53 H72 B2 Mo N2 O3 -","- C424 H576 B16 Mo8 N16 O24 -","8","1","","Böhnke, Julian; Braunschweig, Holger; Jiménez-Halla, J Oscar C; Krummenacher, Ivo; Stennett, Tom E.","Half-Sandwich Complexes of an Extremely Electron-Donating, Redox-Active η6-Diborabenzene Ligand.","Journal of the American Chemical Society","2017","","","","","10.1021/jacs.7b12394","","","0.71073","MoKα","","0.064","0.0361","","","0.0698","0.0796","","","","","","1.019","","","","has coordinates,has disorder","204939","2020-10-21","18:00:00",""
"4126990","16.205","0.006","22.446","0.005","27.356","0.012","90","","90","","90","","9950","6","100","2","100","2","","","","","","","","6","P b c a","-P 2ac 2ab","61","","","","- C54 H74 B2 Cr N2 O3 -","- C54 H74 B2 Cr N2 O3 -","- C432 H592 B16 Cr8 N16 O24 -","8","1","","Böhnke, Julian; Braunschweig, Holger; Jiménez-Halla, J Oscar C; Krummenacher, Ivo; Stennett, Tom E.","Half-Sandwich Complexes of an Extremely Electron-Donating, Redox-Active η6-Diborabenzene Ligand.","Journal of the American Chemical Society","2017","","","","","10.1021/jacs.7b12394","","","0.71073","MoKα","","0.0464","0.0365","","","0.0926","0.0989","","","","","","1.055","","","","has coordinates","204940","2020-10-21","18:00:00",""
"4126991","20.988","0.003","11.0644","0.0013","15.974","0.002","90","","104.59","0.003","90","","3589.9","0.8","100","2","100","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C17 H22 F N O5 -","- C17 H22 F N O5 -","- C136 H176 F8 N8 O40 -","8","1","","Meng, Guangrong; Shi, Shicheng; Lalancette, Roger A.; Szostak, Roman; Szostak, Michal","Reversible Twisting of Primary Amides via Ground State N-C(O) Destabilization: Highly Twisted Rotationally-Inverted Acyclic Amides.","Journal of the American Chemical Society","2017","","","","","10.1021/jacs.7b11309","","","1.54178","CuKα","","0.0368","0.0337","","","0.0874","0.0896","","","","","","1.047","","","","has coordinates","204941","2020-10-21","18:00:00",""
"4126992","8.68","0.002","11.203","0.002","10.273","0.002","90","0.03","110.19","0.03","90","0.03","937.6","0.4","100","2","100","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C18 H25 N O6 -","- C18 H25 N O6 -","- C36 H50 N2 O12 -","2","1","","Meng, Guangrong; Shi, Shicheng; Lalancette, Roger A.; Szostak, Roman; Szostak, Michal","Reversible Twisting of Primary Amides via Ground State N-C(O) Destabilization: Highly Twisted Rotationally-Inverted Acyclic Amides.","Journal of the American Chemical Society","2017","","","","","10.1021/jacs.7b11309","","","1.54178","CuKα","","0.0229","0.0227","","","0.0575","0.0576","","","","","","1.05","","","","has coordinates","204942","2020-10-21","18:00:00",""
"4126993","10.1592","0.0007","11.0638","0.0008","10.3109","0.0007","90","","113.208","0.004","90","","1065.16","0.13","296","2","296","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C19 H28 N2 O5 -","- C19 H28 N2 O5 -","- C38 H56 N4 O10 -","2","1","","Meng, Guangrong; Shi, Shicheng; Lalancette, Roger A.; Szostak, Roman; Szostak, Michal","Reversible Twisting of Primary Amides via Ground State N-C(O) Destabilization: Highly Twisted Rotationally-Inverted Acyclic Amides.","Journal of the American Chemical Society","2017","","","","","10.1021/jacs.7b11309","","","1.54178","CuKα","","0.0394","0.0376","","","0.1004","0.1031","","","","","","1.071","","","","has coordinates","204943","2020-10-21","18:00:00",""
"4126994","16.7598","0.0003","16.5657","0.0003","12.5706","0.0002","90","","90","","90","","3490.07","0.1","100","2","100","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C17 H23 N O5 -","- C17 H23 N O5 -","- C136 H184 N8 O40 -","8","1","","Meng, Guangrong; Shi, Shicheng; Lalancette, Roger A.; Szostak, Roman; Szostak, Michal","Reversible Twisting of Primary Amides via Ground State N-C(O) Destabilization: Highly Twisted Rotationally-Inverted Acyclic Amides.","Journal of the American Chemical Society","2017","","","","","10.1021/jacs.7b11309","","","1.54178","CuKα","","0.04","0.0373","","","0.0936","0.0956","","","","","","1.083","","","","has coordinates","204944","2020-10-21","18:00:00",""
"4126995","11.7945","0.0003","12.5579","0.0003","12.9994","0.0003","91.316","0.001","101.162","0.001","102.764","0.001","1837.94","0.08","100","2","100","2","","","","","","","","4","P -1","-P 1","2","","","","- C18 H22 N2 O5 -","- C18 H22 N2 O5 -","- C72 H88 N8 O20 -","4","2","","Meng, Guangrong; Shi, Shicheng; Lalancette, Roger A.; Szostak, Roman; Szostak, Michal","Reversible Twisting of Primary Amides via Ground State N-C(O) Destabilization: Highly Twisted Rotationally-Inverted Acyclic Amides.","Journal of the American Chemical Society","2017","","","","","10.1021/jacs.7b11309","","","1.54178","CuKα","","0.0347","0.0327","","","0.0873","0.089","","","","","","1.023","","","","has coordinates","204945","2020-10-21","18:00:00",""
"4126996","15.6602","0.0003","17.6075","0.0002","28.2455","0.0005","94.333","0.001","103.992","0.002","101.553","0.001","7340.9","0.2","100","0.1","100","0.1","","","","","","","","5","P -1","-P 1","2","","trans-Dichlorobis{[5,8,11,14,17-penta(tert-butyl)hexa-peri- hexabenzocoronen-2-yl]diphenylphosphine}palladium(II)","","- C154 H140 Cl20 P2 Pd -","- C154 H140 Cl20 P2 Pd -","- C308 H280 Cl40 P4 Pd2 -","2","1","","Smith, Jordan Neale; Hook, James M.; Lucas, Nigel T.","Superphenylphosphines: Nanographene-based Ligands That Control Coordination Geometry and Drive Supramolecular Assembly.","Journal of the American Chemical Society","2017","","","","","10.1021/jacs.7b12251","","","1.54184","CuKα","","0.0916","0.0869","","","0.2357","0.2401","","","","","","1.053","","","","has coordinates,has disorder","204998","2020-10-21","18:00:00",""
"4126997","17.3586","0.0003","23.9116","0.0004","31.8705","0.0007","76.185","0.002","76.758","0.002","82.901","0.002","12471.1","0.4","100","2","100","0.1","","","","","","","","5","P -1","-P 1","2","","trans-Dichlorobis{bis[5,8,11,14,17-penta(tert-butyl)hexa-peri- hexabenzocoronen-2-yl]phenylphosphine}palladium(II)","","- C269 H255 Cl11 P2 Pd -","- C269 H255 Cl11 P2 Pd -","- C538 H510 Cl22 P4 Pd2 -","2","1","","Smith, Jordan Neale; Hook, James M.; Lucas, Nigel T.","Superphenylphosphines: Nanographene-based Ligands That Control Coordination Geometry and Drive Supramolecular Assembly.","Journal of the American Chemical Society","2017","","","","","10.1021/jacs.7b12251","","","1.54184","CuKα","","0.148","0.0911","","","0.2465","0.2887","","","","","","1.026","","","","has coordinates,has disorder","204998","2020-10-21","18:00:00",""
"4126998","25.0905","0.0015","25.279","0.002","37.6216","0.0016","70.558","0.006","89.426","0.004","64.192","0.007","20000","3","100","0.1","100","0.1","","","","","","","","5","P -1","-P 1","2","","trans-Dichlorobis{tris[5,8,11,14,17-penta(tert-butyl)hexa-peri- hexabenzocoronen-2-yl]phosphine}palladium(II)","","- C372 H342 Cl2 P2 Pd -","- C372 H342 Cl2 P2 Pd -","- C744 H684 Cl4 P4 Pd2 -","2","1","","Smith, Jordan Neale; Hook, James M.; Lucas, Nigel T.","Superphenylphosphines: Nanographene-based Ligands That Control Coordination Geometry and Drive Supramolecular Assembly.","Journal of the American Chemical Society","2017","","","","","10.1021/jacs.7b12251","","","1.54184","CuKα","","0.204","0.1012","","","0.2621","0.3294","","","","","","0.958","","","","has coordinates,has disorder","204998","2020-10-21","18:00:00",""
"4126999","12.5663","0.0003","17.6053","0.0004","34.2367","0.0005","88.88","0.002","84.568","0.002","80.258","0.002","7431.5","0.3","100","0.1","100","0.1","","","","","","","","5","P -1","-P 1","2","","anti-Di-μ-chlorodichloro{[5,8,11,14,17-penta(tert-butyl)hexa-peri- hexabenzocoronen-2-yl]diphenylphosphine}dipalladium(II)","","- C151 H137 Cl13 P2 Pd2 -","- C151 H137 Cl13 P2 Pd2 -","- C302 H274 Cl26 P4 Pd4 -","2","1","","Smith, Jordan Neale; Hook, James M.; Lucas, Nigel T.","Superphenylphosphines: Nanographene-based Ligands That Control Coordination Geometry and Drive Supramolecular Assembly.","Journal of the American Chemical Society","2017","","","","","10.1021/jacs.7b12251","","","1.54184","CuKα","","0.0708","0.0577","","","0.1536","0.1664","","","","","","1.043","","","","has coordinates","204998","2020-10-21","18:00:00",""
"4127000","18.5359","0.0005","21.4911","0.0007","30.9657","0.0011","90","","105.024","0.003","90","","11913.7","0.7","100","0.1","100","0.1","","","","","","","","5","P 1 2/c 1","-P 2yc","13","","syn-Di-μ-chlorodichloro{bis[5,8,11,14,17-penta(tert-butyl)hexa-peri- hexabenzocoronen-2-yl]phenylphosphine}dipalladium(II)","","- C262 H240 Cl10 P2 Pd2 -","- C262 H240 Cl10 P2 Pd2 -","- C524 H480 Cl20 P4 Pd4 -","2","0.5","","Smith, Jordan Neale; Hook, James M.; Lucas, Nigel T.","Superphenylphosphines: Nanographene-based Ligands That Control Coordination Geometry and Drive Supramolecular Assembly.","Journal of the American Chemical Society","2017","","","","","10.1021/jacs.7b12251","","","1.54184","CuKα","","0.1712","0.1185","","","0.314","0.3496","","","","","","1.045","","","","has coordinates,has disorder","204998","2020-10-21","18:00:00",""
"4127001","21.8639","0.0006","32.7717","0.0007","39.9807","0.0008","80.231","0.002","78.402","0.002","81.022","0.002","27433.5","1.1","100","0.1","100","0.1","","","","","","","","4","P -1","-P 1","2","","[5,8,11,14,17-Penta(tert-butyl)hexa-peri-hexabenzocoronen-2-yl]diphenyl phosphine oxide","","- C620 H568 O8 P8 -","- C620 H568 O8 P8 -","- C1240 H1136 O16 P16 -","2","1","","Smith, Jordan Neale; Hook, James M.; Lucas, Nigel T.","Superphenylphosphines: Nanographene-based Ligands That Control Coordination Geometry and Drive Supramolecular Assembly.","Journal of the American Chemical Society","2017","","","","","10.1021/jacs.7b12251","","","1.54184","CuKα","","0.189","0.122","","","0.3134","0.3792","","","","","","1.021","","","","has coordinates,has disorder","204999","2020-10-21","18:00:00",""
"4127002","13.7498","0.001","20.5393","0.0013","24.0662","0.0015","112.906","0.006","94.953","0.006","96.491","0.006","6157.1","0.8","100","0.1","100","0.1","","","","","","","","5","P -1","-P 1","2","","Bis[5,8,11,14,17-penta(tert-butyl)hexa-peri- hexabenzocoronen-2-yl]phenylphosphine oxide","","- C131 H120 Cl3 O P -","- C131 H120 Cl3 O P -","- C262 H240 Cl6 O2 P2 -","2","1","","Smith, Jordan Neale; Hook, James M.; Lucas, Nigel T.","Superphenylphosphines: Nanographene-based Ligands That Control Coordination Geometry and Drive Supramolecular Assembly.","Journal of the American Chemical Society","2017","","","","","10.1021/jacs.7b12251","","","1.54184","CuKα","","0.1807","0.1065","","","0.2927","0.3619","","","","","","0.97","","","","has coordinates,has disorder","204999","2020-10-21","18:00:00",""
"4127003","19.2816","0.0007","21.2439","0.0007","22.5232","0.0009","80.902","0.003","72.974","0.003","80.548","0.003","8642.3","0.6","100","0.1","100","0.1","","","","","","","","4","P -1","-P 1","2","","Tris[5,8,11,14,17-penta(tert-butyl)hexa-peri- hexabenzocoronen-2-yl]phosphine oxide","","- C186 H171 O P -","- C186 H171 O P -","- C372 H342 O2 P2 -","2","1","","Smith, Jordan Neale; Hook, James M.; Lucas, Nigel T.","Superphenylphosphines: Nanographene-based Ligands That Control Coordination Geometry and Drive Supramolecular Assembly.","Journal of the American Chemical Society","2017","","","","","10.1021/jacs.7b12251","","","1.54184","CuKα","","0.1926","0.1151","","","0.3285","0.4129","","","","","","1.121","","","","has coordinates,has disorder","204999","2020-10-21","18:00:00",""
"4127004","17.8443","0.0002","17.9356","0.0002","20.623","0.0003","90","","102.056","0.001","90","","6454.78","0.14","100","0.1","100","0.1","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","[5,8,11,14,17-Penta(tert-butyl)hexa-peri- hexabenzocoronen-2-yl]diphenylphosphine borane","","- C76 H72 B Cl6 P -","- C76 H72 B Cl6 P -","- C304 H288 B4 Cl24 P4 -","4","1","","Smith, Jordan Neale; Hook, James M.; Lucas, Nigel T.","Superphenylphosphines: Nanographene-based Ligands That Control Coordination Geometry and Drive Supramolecular Assembly.","Journal of the American Chemical Society","2017","","","","","10.1021/jacs.7b12251","","","1.54184","CuKα","","0.0768","0.0719","","","0.2065","0.2124","","","","","","1.026","","","","has coordinates,has disorder","204999","2020-10-21","18:00:00",""
"4127005","9.58533","0.00017","13.1682","0.0002","19.2463","0.0003","90","","90","","90","","2429.3","0.07","175","","175","","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C24 H31 B N O4 P -","- C24 H31 B N O4 P -","- C96 H124 B4 N4 O16 P4 -","4","1","","Arribat, Mathieu; Rémond, Emmanuelle; Clément, Sébastien; Lee, Arie Van Der; Cavelier, Florine","Phospholyl(borane) amino acids and peptides: Stereoselective synthesis and fluorescent properties with large Stokes shift.","Journal of the American Chemical Society","2017","","","","","10.1021/jacs.7b10954","","","1.54184","CuKα","","0.0581","0.0552","","0.0651","0.0609","0.0609","","","","","","1.0402","","","","has coordinates","205000","2020-10-21","18:00:00",""
"4127008","9.405","0.007","11.044","0.009","15.445","0.011","85.234","0.017","74.48","0.02","84.902","0.016","1537","2","110","","110","","","","","","","","","6","P -1","-P 1","2","","","","- C49 H22 F36 N6 O12 Y2 -","- C49 H22 F36 N6 O12 Y2 -","- C49 H22 F36 N6 O12 Y2 -","1","0.5","","Dolinar, Brian S.; Alexandropoulos, Dimitris I.; Vignesh, Kuduva R.; James, Tia'Asia; Dunbar, Kim R.","Lanthanide Triangles Supported by Radical Bridging Ligands.","Journal of the American Chemical Society","2017","","","","","10.1021/jacs.7b12495","","x-ray","0.71073","MoKα","K-L~3~","0.0382","0.0296","","","0.0704","0.0741","","","","","","1.064","","","","has coordinates,has disorder","205003","2020-10-21","18:00:00",""
"4127009","9.416","0.0004","11.0617","0.0005","15.4355","0.0007","85.173","0.002","74.554","0.002","84.954","0.002","1540.55","0.12","100","","100","","","","","","","","","6","P -1","-P 1","2","","","","- C49 H22 Dy2 F36 N6 O12 -","- C49 H22 Dy2 F36 N6 O12 -","- C49 H22 Dy2 F36 N6 O12 -","1","0.5","","Dolinar, Brian S.; Alexandropoulos, Dimitris I.; Vignesh, Kuduva R.; James, Tia'Asia; Dunbar, Kim R.","Lanthanide Triangles Supported by Radical Bridging Ligands.","Journal of the American Chemical Society","2017","","","","","10.1021/jacs.7b12495","","x-ray","1.54178","CuKα","K-L~3~","0.0204","0.0195","","","0.0494","0.0499","","","","","","1.046","","","","has coordinates,has disorder","205003","2020-10-21","18:00:00",""
"4127010","14.8723","0.0004","16.5748","0.0004","19.8054","0.0005","73.0285","0.0014","78.4095","0.0013","79.4086","0.0014","4533.3","0.2","110","","110","","","","","","","","","6","P -1","-P 1","2","","","","- C69.98 H39.95 F36 N18 O12.99 Y3 -","- C69.969 H39.865 F36.03 N18 O12.996 Y3 -","- C139.938 H79.73 F72.06 N36 O25.992 Y6 -","2","1","","Dolinar, Brian S.; Alexandropoulos, Dimitris I.; Vignesh, Kuduva R.; James, Tia'Asia; Dunbar, Kim R.","Lanthanide Triangles Supported by Radical Bridging Ligands.","Journal of the American Chemical Society","2017","","","","","10.1021/jacs.7b12495","","x-ray","0.71073","MoKα","K-L~3~","0.0704","0.0441","","","0.0953","0.1071","","","","","","1.015","","","","has coordinates,has disorder","205003","2020-10-21","18:00:00",""
"4127011","14.8664","0.0008","16.6091","0.0009","19.8643","0.001","73.227","0.003","78.36","0.003","79.675","0.004","4561.1","0.4","110","","110","","","","","","","","","6","P -1","-P 1","2","","","","- C70.38 H40.58 Dy3 F36.19 N18 O13.12 -","- C70.093 H40.083 Dy3 F36.078 N18 O13.033 -","- C140.186 H80.166 Dy6 F72.156 N36 O26.066 -","2","1","","Dolinar, Brian S.; Alexandropoulos, Dimitris I.; Vignesh, Kuduva R.; James, Tia'Asia; Dunbar, Kim R.","Lanthanide Triangles Supported by Radical Bridging Ligands.","Journal of the American Chemical Society","2017","","","","","10.1021/jacs.7b12495","","x-ray","0.71073","MoKα","K-L~3~","0.1298","0.059","","","0.0989","0.1245","","","","","","1.017","","","","has coordinates,has disorder","205003","2020-10-21","18:00:00",""
"4127012","26.245","0.002","34.335","0.003","21.8451","0.0018","90","","113.867","0.004","90","","18002","3","110","","110","","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C140 H87 Dy0.65 F72 N36 O26 Y5.35 -","- C140 H80 Dy0.6234 F72 N36 O26 Y5.3766 -","- C560 H320 Dy2.4936 F288 N144 O104 Y21.5064 -","4","1","","Dolinar, Brian S.; Alexandropoulos, Dimitris I.; Vignesh, Kuduva R.; James, Tia'Asia; Dunbar, Kim R.","Lanthanide Triangles Supported by Radical Bridging Ligands.","Journal of the American Chemical Society","2017","","","","","10.1021/jacs.7b12495","","x-ray","0.71073","MoKα","K-L~3~","0.085","0.0457","","","0.083","0.0955","","","","","","1.019","","","","has coordinates,has disorder","205003","2020-10-21","18:00:00",""
"4127013","11.64","0.008","16.184","0.011","20.197","0.014","90","","104.568","0.017","90","","3682","4","100","","100","","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C30 H14 Co Dy F24 O8 -","- C30 H14 Co Dy F24 O8 -","- C120 H56 Co4 Dy4 F96 O32 -","4","1","","Dolinar, Brian S.; Alexandropoulos, Dimitris I.; Vignesh, Kuduva R.; James, Tia'Asia; Dunbar, Kim R.","Lanthanide Triangles Supported by Radical Bridging Ligands.","Journal of the American Chemical Society","2017","","","","","10.1021/jacs.7b12495","","x-ray","0.71073","MoKα","","0.0718","0.0429","","","0.0689","0.0772","","","","","","1.026","","","","has coordinates","205004","2020-10-21","18:00:00",""
"4127014","24.9795","0.0007","15.4624","0.0006","19.4486","0.0006","90","","95.16","0.002","90","","7481.4","0.4","90","0.3","90","0.3","","","","","","","","6","C 1 2/m 1","-C 2y","12","","","","- C118 H46 Cl6 Gd2 N4 Ni -","- C118 H46 Cl6 Gd1.992 N4 Ni -","- C472 H184 Cl24 Gd7.968 N16 Ni4 -","4","0.5","","Hu, Ziqi; Dong, Bo-Wei; Liu, Zheng; Liu, Jun-Jie; Su, Jie; Yu, Changcheng; Xiong, Jin; Shi, Di-Er; Wang, Yuanyuan; Wang, Bing-Wu; Ardavan, Arzhang; Shi, Zujin; Jiang, Shang-Da; Gao, Song","Endohedral Metallofullerene as Molecular High Spin Qubit: Diverse Rabi Cycles in Gd2@C79N.","Journal of the American Chemical Society","2017","","","","","10.1021/jacs.7b12170","","","0.71073","MoKα","","0.1247","0.1061","","","0.2533","0.2643","","","","","","1.084","","","","has coordinates","205039","2020-10-21","18:00:00",""
"4127025","16.721","0.003","16.721","0.003","19.704","0.005","90","","90","","90","","5509","2","298","","298","","","","101","","","","synthetic","7","I 4/m","-I 4","87","zirconium nickel cyclam carboxylate","6,13-dicarboxy-1,4,8,11-tetrazacyclotetradecan copper zirconium oxide","none","- C24 H44 Cl4 Cu2 N8 O36 Zr3 -","- C24 H44 Cl4 Cu2 N8 O36 Zr3 -","- C96 H176 Cl16 Cu8 N32 O144 Zr12 -","4","0.25","","Zhu, Jie; Usov, Pavel M.; Xu, Wenqian; Celis-Salazar, Paula J; Lin, Shaoyang; Kessinger, Matthew C.; Landaverde-Alvarado, Carlos; Cai, Meng; May, Ann M.; Slebodnick, Carla; Zhu, Dunru; Senanayake, Sanjaya D.; Morris, Amanda J.","A New Class of Metal-Cyclam based Zirconium Metal-Organic Frameworks for CO2 Adsorption and Chemical Fixation.","Journal of the American Chemical Society","2017","","","","","10.1021/jacs.7b10643","powder diffraction","x-ray","0.45336","Synchrotronmono-beam","","","","","","","","0.1635","","5.58","","","","","","","has coordinates","205263","2020-10-21","18:00:00",""
"4127026","6.5665","0.0003","8.8382","0.0005","11.8641","0.0005","71.886","0.004","86.219","0.004","73.762","0.005","628.15","0.06","100","0.1","100","0.1","","","","","","","","6","P -1","-P 1","2","","","","- C18 H38 Cl2 N6 Ni O6 -","- C18 H38 Cl2 N6 Ni O6 -","- C18 H38 Cl2 N6 Ni O6 -","1","0.5","","Zhu, Jie; Usov, Pavel M.; Xu, Wenqian; Celis-Salazar, Paula J; Lin, Shaoyang; Kessinger, Matthew C.; Landaverde-Alvarado, Carlos; Cai, Meng; May, Ann M.; Slebodnick, Carla; Zhu, Dunru; Senanayake, Sanjaya D.; Morris, Amanda J.","A New Class of Metal-Cyclam based Zirconium Metal-Organic Frameworks for CO2 Adsorption and Chemical Fixation.","Journal of the American Chemical Society","2017","","","","","10.1021/jacs.7b10643","","x-ray","1.54184","CuKα","","0.0426","0.0356","","","0.0879","0.0935","","","","","","1.037","","","","has coordinates","205264","2020-10-21","18:00:00",""
"4127027","8.5135","0.0005","9.7381","0.0004","13.3092","0.0007","90.048","0.004","104.471","0.005","95.762","0.004","1062.61","0.1","101.55","0.1","101.55","0.1","","","","","","","","6","P -1","-P 1","2","","","","- C12 H24 Cl2 Cu N4 O12 -","- C12 H24 Cl2 Cu N4 O12 -","- C24 H48 Cl4 Cu2 N8 O24 -","2","1","","Zhu, Jie; Usov, Pavel M.; Xu, Wenqian; Celis-Salazar, Paula J; Lin, Shaoyang; Kessinger, Matthew C.; Landaverde-Alvarado, Carlos; Cai, Meng; May, Ann M.; Slebodnick, Carla; Zhu, Dunru; Senanayake, Sanjaya D.; Morris, Amanda J.","A New Class of Metal-Cyclam based Zirconium Metal-Organic Frameworks for CO2 Adsorption and Chemical Fixation.","Journal of the American Chemical Society","2017","","","","","10.1021/jacs.7b10643","","x-ray","0.71073","MoKα","","0.0784","0.0541","","","0.1103","0.1221","","","","","","1.062","","","","has coordinates","205265","2020-10-21","18:00:00",""
"4127028","6.7984","0.0004","9.7309","0.0005","12.9543","0.0007","90","","93.913","0.005","90","","854.99","0.08","100","0.1","100","0.1","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C12 H24 Cl2 Cu N4 O4 -","- C12 H24 Cl2 Cu N4 O4 -","- C24 H48 Cl4 Cu2 N8 O8 -","2","0.5","","Zhu, Jie; Usov, Pavel M.; Xu, Wenqian; Celis-Salazar, Paula J; Lin, Shaoyang; Kessinger, Matthew C.; Landaverde-Alvarado, Carlos; Cai, Meng; May, Ann M.; Slebodnick, Carla; Zhu, Dunru; Senanayake, Sanjaya D.; Morris, Amanda J.","A New Class of Metal-Cyclam based Zirconium Metal-Organic Frameworks for CO2 Adsorption and Chemical Fixation.","Journal of the American Chemical Society","2017","","","","","10.1021/jacs.7b10643","","x-ray","0.71073","MoKα","","0.0551","0.0405","","","0.0758","0.0803","","","","","","1.085","","","","has coordinates","205266","2020-10-21","18:00:00",""
"4127029","16.51","0.003","16.51","0.003","19.811","0.005","90","","90","","90","","5400.1","1.9","298","","298","","","","101","","","","synthetic","7","I 4/m","-I 4","87","zirconium nickel cyclam carboxylate","6,13-dicarboxy-1,4,8,11-tetrazacyclotetradecan nickel zirconium oxide","none","- C24 H44 Cl4 N8 Ni2 O32 Zr3 -","- C24 H44 Cl4 N8 Ni2 O32 Zr3 -","- C96 H176 Cl16 N32 Ni8 O128 Zr12 -","4","0.25","","Zhu, Jie; Usov, Pavel M.; Xu, Wenqian; Celis-Salazar, Paula J; Lin, Shaoyang; Kessinger, Matthew C.; Landaverde-Alvarado, Carlos; Cai, Meng; May, Ann M.; Slebodnick, Carla; Zhu, Dunru; Senanayake, Sanjaya D.; Morris, Amanda J.","A New Class of Metal-Cyclam based Zirconium Metal-Organic Frameworks for CO2 Adsorption and Chemical Fixation.","Journal of the American Chemical Society","2017","","","","","10.1021/jacs.7b10643","powder diffraction","x-ray","0.45336","Synchrotronmono-beam","","","","","","","","0.17027","","4.16","","","","","","","has coordinates","205267","2020-10-21","18:00:00",""
"4127030","8.5347","0.0005","15.2793","0.0011","8.762","0.0007","90","","103.592","0.008","90","","1110.6","0.14","250","0.14","250","0.14","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C12 H28 Cl2 N4 Ni O14 -","- C12 H28 Cl2 N4 Ni O14 -","- C24 H56 Cl4 N8 Ni2 O28 -","2","0.5","","Zhu, Jie; Usov, Pavel M.; Xu, Wenqian; Celis-Salazar, Paula J; Lin, Shaoyang; Kessinger, Matthew C.; Landaverde-Alvarado, Carlos; Cai, Meng; May, Ann M.; Slebodnick, Carla; Zhu, Dunru; Senanayake, Sanjaya D.; Morris, Amanda J.","A New Class of Metal-Cyclam based Zirconium Metal-Organic Frameworks for CO2 Adsorption and Chemical Fixation.","Journal of the American Chemical Society","2017","","","","","10.1021/jacs.7b10643","","x-ray","1.54184","CuKα","","0.072","0.0637","","","0.1593","0.165","","","","","","1.093","","","","has coordinates,has disorder","205268","2020-10-21","18:00:00",""
"4127031","14.3809","0.0007","9.9419","0.0004","18.1561","0.0007","90","","99.657","0.002","90","","2559.06","0.19","150","2","150","2","","","","","","","synthesized by the authors","4","C 1 2/c 1","-C 2yc","15","","","","- C34 H22 O2 S2 -","- C34 H22 O2 S2 -","- C136 H88 O8 S8 -","4","0.5","","Stetsovych, Oleksandr; Mutombo, Pingo; Švec, Martin; Šámal, Michal; Nejedly, Jindrich; Cisarova, Ivana; Vazquez, Hector; Moro-Lagares, Maria; Berger, Jan; Vacek, Jaroslav; Stará, Irena G; Stary, Ivo; Jelinek, Pavel","Large converse piezoelectric effect measured on a single molecule on a metallic surface.","Journal of the American Chemical Society","2017","","","","","10.1021/jacs.7b08729","","","0.71073","MoKα","","0.0387","0.0333","","","0.088","0.093","","","","","","1.075","","","","has coordinates","205269","2020-10-21","18:00:00",""
"4127032","9.3913","0.0005","9.8798","0.0005","12.6597","0.0006","90","","90","","90","","1174.62","0.1","100","","100","","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C13 H15 N O3 -","- C13 H15 N O3 -","- C52 H60 N4 O12 -","4","1","","Zwick, Christian R.; Renata, Hans","Remote C-H Hydroxylation by an α-Ketoglutarate-Dependent Dioxygenase Enables Efficient Chemoenzymatic Synthesis of Manzacidin C and Proline Analogs.","Journal of the American Chemical Society","2017","","","","","10.1021/jacs.7b12918","","x-ray","1.54178","CuKα","K-L~3~","0.0269","0.0268","","","0.0674","0.0674","","","","","","1.099","","","","has coordinates","205270","2020-10-21","18:00:00",""
"4127033","11.3991","0.0007","5.7528","0.0004","13.4124","0.0009","90","","94.166","0.004","90","","877.22","0.1","100","","100","","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C20 H19 N O5 -","- C20 H19 N O5 -","- C40 H38 N2 O10 -","2","1","","Zwick, Christian R.; Renata, Hans","Remote C-H Hydroxylation by an α-Ketoglutarate-Dependent Dioxygenase Enables Efficient Chemoenzymatic Synthesis of Manzacidin C and Proline Analogs.","Journal of the American Chemical Society","2017","","","","","10.1021/jacs.7b12918","","x-ray","1.54178","CuKα","K-L~3~","0.0453","0.04","","","0.1033","0.1078","","","","","","1.053","","","","has coordinates","205271","2020-10-21","18:00:00",""
"4127034","18.0473","0.0009","5.647","0.0003","12.1602","0.0006","90","","91.82","0.002","90","","1238.66","0.11","100","","100","","","","","","","","","4","C 1 2 1","C 2y","5","","","","- C11 H19 N O4 -","- C11 H19 N O4 -","- C44 H76 N4 O16 -","4","1","","Zwick, Christian R.; Renata, Hans","Remote C-H Hydroxylation by an α-Ketoglutarate-Dependent Dioxygenase Enables Efficient Chemoenzymatic Synthesis of Manzacidin C and Proline Analogs.","Journal of the American Chemical Society","2017","","","","","10.1021/jacs.7b12918","","x-ray","1.54178","CuKα","K-L~3~","0.0279","0.0269","","","0.068","0.0687","","","","","","1.091","","","","has coordinates","205272","2020-10-21","18:00:00",""
"4127052","13.897","0.0006","14.2343","0.0006","16.98","0.0007","69.173","0.002","77.196","0.002","74.108","0.002","2990.4","0.2","100","","100","","","","","","","","","5","P -1","-P 1","2","","","","- C48 H59 La N8 O13 -","- C48 H59 La N8 O13 -","- C96 H118 La2 N16 O26 -","2","1","","McSkimming, Alex; Cheisson, Thibault; Carroll, Patrick J.; Schelter, Eric J.","A Functional Synthetic Model for the Lanthanide-Dependent Quinoid Alcohol Dehydrogenase Active Site.","Journal of the American Chemical Society","2017","","","","","10.1021/jacs.7b12318","","","0.71073","MoKα","","0.0637","0.0395","","","0.0798","0.0866","","","","","","1.008","","","","has coordinates","205384","2020-10-21","18:00:00",""
"4127053","13.0537","0.0008","17.5258","0.0011","23.1072","0.0014","90","","101.754","0.003","90","","5175.5","0.6","100","","100","","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C96 H118 La2 N12 O14 -","- C96 H118 La2 N12 O14 -","- C192 H236 La4 N24 O28 -","2","0.5","","McSkimming, Alex; Cheisson, Thibault; Carroll, Patrick J.; Schelter, Eric J.","A Functional Synthetic Model for the Lanthanide-Dependent Quinoid Alcohol Dehydrogenase Active Site.","Journal of the American Chemical Society","2017","","","","","10.1021/jacs.7b12318","","","0.71073","MoKα","","0.0596","0.0369","","","0.0751","0.0836","","","","","","1.021","","","","has coordinates,has disorder","205384","2020-10-21","18:00:00",""
"4131212","36.907","0.004","19.699","0.002","20.897","0.002","90","","117.035","0.001","90","","13533","2","100","2","100","2","","","","","","","","3","C 1 2/c 1","-C 2yc","15","","","","- C52 H108 Si13 -","- C52 H108 Si13 -","- C416 H864 Si104 -","8","1","","Kosai, Tomoyuki; Ishida, Shintaro; Iwamoto, Takeaki","Pentasila-1,4-diene: Homoconjugation between Si═Si Double Bonds via a SiMe(2) Unit.","Journal of the American Chemical Society","2017","139","1","99","102","10.1021/jacs.6b11912","","","0.71073","MoKα","","0.0345","0.0297","","","0.0805","0.0879","","","","","","1.056","","","","has coordinates,has disorder","241476","2020-10-21","18:00:00",""
"4131213","9.7545","0.0017","24.247","0.004","16.831","0.003","90","","96.034","0.002","90","","3958.8","1.2","173","2","173","2","","","","","","","","3","P 1 21/a 1","-P 2yab","14","","","","- C54 H114 Si14 -","- C54 H114 Si14 -","- C108 H228 Si28 -","2","0.5","","Kosai, Tomoyuki; Ishida, Shintaro; Iwamoto, Takeaki","Pentasila-1,4-diene: Homoconjugation between Si═Si Double Bonds via a SiMe(2) Unit.","Journal of the American Chemical Society","2017","139","1","99","102","10.1021/jacs.6b11912","","","0.71073","MoKα","","0.0805","0.0672","","","0.1797","0.1867","","","","","","1.064","","","","has coordinates","241476","2020-10-21","18:00:00",""
"4131214","11.439","0.0012","11.5269","0.0012","16.3097","0.0017","76.425","0.001","84.285","0.001","61.813","0.001","1842.4","0.3","100","2","100","2","","","","","","","","3","P -1","-P 1","2","","","","- C28 H60 Si7 -","- C28 H60 Si7 -","- C56 H120 Si14 -","2","1","","Kosai, Tomoyuki; Ishida, Shintaro; Iwamoto, Takeaki","Pentasila-1,4-diene: Homoconjugation between Si═Si Double Bonds via a SiMe(2) Unit.","Journal of the American Chemical Society","2017","139","1","99","102","10.1021/jacs.6b11912","","","0.71073","MoKα","","0.0284","0.0268","","","0.0712","0.0728","","","","","","1.04","","","","has coordinates","241476","2020-10-21","18:00:00",""
"4131215","14.701","0.002","15.065","0.002","22.31","0.003","90","","105.87","0.002","90","","4752.7","1.1","100","2","100","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C35 H76 K O5 Si6 -","- C35 H76 K O5 Si6 -","- C140 H304 K4 O20 Si24 -","4","1","","Kosai, Tomoyuki; Ishida, Shintaro; Iwamoto, Takeaki","Pentasila-1,4-diene: Homoconjugation between Si═Si Double Bonds via a SiMe(2) Unit.","Journal of the American Chemical Society","2017","139","1","99","102","10.1021/jacs.6b11912","","","0.71073","MoKα","","0.0385","0.0296","","","0.0725","0.0788","","","","","","1.049","","","","has coordinates","241476","2020-10-21","18:00:00",""
"4131216","20.2103","0.0014","8.9161","0.0006","20.7174","0.0014","90","","99.885","0.002","90","","3677.8","0.4","100","2","100","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C25 H51 Cl3 Si6 -","- C25 H51 Cl3 Si6 -","- C100 H204 Cl12 Si24 -","4","1","","Kosai, Tomoyuki; Ishida, Shintaro; Iwamoto, Takeaki","Pentasila-1,4-diene: Homoconjugation between Si═Si Double Bonds via a SiMe(2) Unit.","Journal of the American Chemical Society","2017","139","1","99","102","10.1021/jacs.6b11912","","","0.71073","MoKα","","0.0389","0.0299","","","0.073","0.076","","","","","","1.051","","","","has coordinates","241476","2020-10-21","18:00:00",""
"4131217","15.8812","0.0008","19.5634","0.001","22.8793","0.0012","90","","90","","90","","7108.4","0.6","100","0.2","100","0.2","","","","","","","","7","P 21 21 21","P 2ac 2ab","19","","","","- C85.24 H72.7 Cl4.76 Ir N2 O6.74 P2 -","- C85.235 H72.705 Cl4.765 Ir N2 O6.745 P2 -","- C340.94 H290.82 Cl19.06 Ir4 N8 O26.98 P8 -","4","1","","Rössler, Simon L; Krautwald, Simon; Carreira, Erick M.","Study of Intermediates in Iridium-(Phosphoramidite,Olefin)-Catalyzed Enantioselective Allylic Substitution.","Journal of the American Chemical Society","2017","139","10","3603","3606","10.1021/jacs.6b12421","","x-ray","0.71073","MoKα","","0.0292","0.027","","","0.0589","0.0596","","","","","","1.058","","","","has coordinates,has disorder","241477","2020-10-21","18:00:00",""
"4131218","11.1166","0.0006","22.3594","0.0011","15.6267","0.0009","90","","91.739","0.002","90","","3882.4","0.4","100","0.2","100","0.2","","","","","","","","7","P 1 21 1","P 2yb","4","","","","- C82.15 H62.62 Cl9.53 Ir N2 O5.58 P2 -","- C82.1576 H62.631 Cl9.526 Ir N2 O5.5789 P2 -","- C164.315 H125.262 Cl19.052 Ir2 N4 O11.1578 P4 -","2","1","","Rössler, Simon L; Krautwald, Simon; Carreira, Erick M.","Study of Intermediates in Iridium-(Phosphoramidite,Olefin)-Catalyzed Enantioselective Allylic Substitution.","Journal of the American Chemical Society","2017","139","10","3603","3606","10.1021/jacs.6b12421","","x-ray","0.71073","MoKα","","0.0389","0.0351","","","0.0881","0.0897","","","","","","1.016","","","","has coordinates,has disorder","241477","2020-10-21","18:00:00",""
"4131219","15.7403","0.0019","17.473","0.002","18.238","0.002","91.892","0.003","108.143","0.003","115.526","0.002","4218.8","0.9","100","0.2","100","0.2","","","","","","","","9","P -1","-P 1","2","","","","- C83 H57 Cl16 F3 Ir N3 O9 P2 S -","- C83 H57 Cl16 F3 Ir N3 O9 P2 S -","- C166 H114 Cl32 F6 Ir2 N6 O18 P4 S2 -","2","1","","Rössler, Simon L; Krautwald, Simon; Carreira, Erick M.","Study of Intermediates in Iridium-(Phosphoramidite,Olefin)-Catalyzed Enantioselective Allylic Substitution.","Journal of the American Chemical Society","2017","139","10","3603","3606","10.1021/jacs.6b12421","","","0.71073","MoKα","","0.0514","0.0397","","","0.0886","0.0945","","","","","","1.043","","","","has coordinates,has disorder","241477","2020-10-21","18:00:00",""
"4131220","15.3515","0.0018","21.677","0.003","8.8389","0.0009","90","","90","","90","","2941.4","0.6","100","0.2","100","0.2","","","","","","","","7","P 21 21 2","P 2 2ab","18","","","","- C68 H44 Cl Ir N2 O4 P2 -","- C68 H44 Cl Ir N2 O4 P2 -","- C136 H88 Cl2 Ir2 N4 O8 P4 -","2","0.5","","Rössler, Simon L; Krautwald, Simon; Carreira, Erick M.","Study of Intermediates in Iridium-(Phosphoramidite,Olefin)-Catalyzed Enantioselective Allylic Substitution.","Journal of the American Chemical Society","2017","139","10","3603","3606","10.1021/jacs.6b12421","","x-ray","0.71073","MoKα","","0.0258","0.0246","","","0.068","0.0686","","","","","","1.104","","","","has coordinates","241477","2020-10-21","18:00:00",""
"4131221","32.9074","0.0006","32.9074","0.0006","17.7716","0.0004","90","","90","","120","","16666.5","0.6","100","0.2","100","0.2","","","","","","","","7","P 32","P 32","145","","","","- C224 H164 Cl39 Ir3 N6 O20 P6 -","- C224 H164 Cl39 Ir3 N6 O20 P6 -","- C672 H492 Cl117 Ir9 N18 O60 P18 -","3","1","","Rössler, Simon L; Krautwald, Simon; Carreira, Erick M.","Study of Intermediates in Iridium-(Phosphoramidite,Olefin)-Catalyzed Enantioselective Allylic Substitution.","Journal of the American Chemical Society","2017","139","10","3603","3606","10.1021/jacs.6b12421","","x-ray","1.54178","CuKα","","0.062","0.0579","","","0.1523","0.1558","","","","","","1.202","","","","has coordinates,has disorder","241477","2020-10-21","18:00:00",""
"4131222","12.0233","0.0001","7.5855","0.0001","13.9981","0.0001","90","","96.03","0.001","90","","1269.6","0.02","173.2","0.1","173.2","0.1","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C34 H22 N O2 P -","- C34 H22 N O2 P -","- C68 H44 N2 O4 P2 -","2","1","","Rössler, Simon L; Krautwald, Simon; Carreira, Erick M.","Study of Intermediates in Iridium-(Phosphoramidite,Olefin)-Catalyzed Enantioselective Allylic Substitution.","Journal of the American Chemical Society","2017","139","10","3603","3606","10.1021/jacs.6b12421","","x-ray","1.54184","CuKα","","0.0236","0.0233","","","0.0627","0.063","","","","","","1.035","","","","has coordinates,has disorder","241477","2020-10-21","18:00:00",""
"4131223","27.1225","0.0006","17.0996","0.0005","17.6908","0.0004","90","","106.759","0.001","90","","7856.2","0.3","173","2","173","2","","","","","","","","8","C 1 2/m 1","-C 2y","12","Th@C82/NiOEP/1.5bz/CS2","","","- C128 H53 I0 N4 Ni O0 S2 Th -","- C128 H53 N4 Ni S2 Th0.9472 -","- C512 H212 N16 Ni4 S8 Th3.7888 -","4","0.5","","Wang, Yaofeng; Morales-Martínez, Roser; Zhang, Xingxing; Yang, Wei; Wang, Yaxing; Rodríguez-Fortea, Antonio; Poblet, Josep M.; Feng, Lai; Wang, Shuao; Chen, Ning","Unique Four-Electron Metal-to-Cage Charge Transfer of Th to a C<sub>82</sub> Fullerene Cage: Complete Structural Characterization of Th@C<sub>3v</sub>(8)-C<sub>82</sub>.","Journal of the American Chemical Society","2017","139","14","5110","5116","10.1021/jacs.6b13383","","","1.54178","CuKα","","0.0507","0.0479","","","0.13","0.1332","","","","","","1.035","","","","has coordinates,has disorder","241478","2020-10-21","18:00:00",""
"4131224","11.429","0.002","25.345","0.005","18.453","0.003","90","","93.369","0.002","90","","5336","1.7","296","2","296","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","LCuOH","","","- C47 H76 Cu N4 O4 -","- C47 H76 Cu N4 O4 -","- C188 H304 Cu4 N16 O16 -","4","1","","Spaeth, Andrew D.; Gagnon, Nicole L.; Dhar, Debanjan; Yee, Gereon M.; Tolman, William B.","Determination of the Cu(III)-OH Bond Distance by Resonance Raman Spectroscopy Using a Normalized Version of Badger's Rule.","Journal of the American Chemical Society","2017","139","12","4477","4485","10.1021/jacs.7b00210","","","0.71073","MoKα","","0.1024","0.0872","","","0.2013","0.2069","","","","","","1.157","","","","has coordinates,has disorder","241479","2020-10-21","18:00:00",""
"4131225","10.938","0.0003","13.7755","0.0004","24.4883","0.0007","90","","90","","90","","3689.81","0.18","100","2","100","2","","","","","","","","8","P 21 21 21","P 2ac 2ab","19","","","","- C42 H41 B F4 N3 O P Pd -","- C42 H41 B F4 N3 O P Pd -","- C168 H164 B4 F16 N12 O4 P4 Pd4 -","4","1","","Guo, Chang; Janssen-Müller, Daniel; Fleige, Mirco; Lerchen, Andreas; Daniliuc, Constantin G.; Glorius, Frank","Mechanistic Studies on a Cooperative NHC Organocatalysis/Palladium Catalysis System: Uncovering Significant Lessons for Mixed Chiral Pd(NHC)(PR<sub>3</sub>) Catalyst Design.","Journal of the American Chemical Society","2017","139","12","4443","4451","10.1021/jacs.7b00462","","","1.54178","CuKα","","0.048","0.0421","","","0.0917","0.0942","","","","","","1.044","","","","has coordinates,has disorder","241480","2020-10-21","18:00:00",""
"4131226","22.639","0.002","11.4146","0.0011","40.733","0.003","90","","91.374","0.003","90","","10523","1.6","93","","93","","","","","","","","","3","P 1 21/a 1","-P 2yab","14","pillar[5]-quinone_hexane","","","- C57 H74 O10 -","- C57 H74 O10 -","- C456 H592 O80 -","8","2","","Ogoshi, Tomoki; Shimada, Yasuo; Sakata, Yoko; Akine, Shigehisa; Yamagishi, Tada-Aki","Alkane-Shape-Selective Vapochromic Behavior Based on Crystal-State Host-Guest Complexation of Pillar[5]arene Containing One Benzoquinone Unit.","Journal of the American Chemical Society","2017","139","16","5664","5667","10.1021/jacs.7b00631","","","0.71073","MoKα","","0.0918","0.0658","","","0.1586","0.1823","","","","","","1.071","","","","has coordinates,has disorder","241481","2020-10-21","18:00:00",""
"4131227","13.5835","0.0011","13.5835","0.0011","8.6796","0.0013","90","","90","","120","","1386.9","0.3","100","","99.99","","","","","","","","","6","P -3 1 m","-P 3 2","162","","(Cp2Co)(Me2NH2)[Fe2(CA)3]","","- C11 H8 Cl3 Fe N O6 -","- C10.9998 H7.9992 Cl3 Fe N0.9999 O6 -","- C21.9996 H15.9984 Cl6 Fe2 N1.9998 O12 -","2","0.166667","","DeGayner, Jordan A.; Jeon, Ie-Rang; Sun, Lei; Dincă, Mircea; Harris, T. David","2D Conductive Iron-Quinoid Magnets Ordering up to T<sub>c</sub> = 105 K via Heterogenous Redox Chemistry.","Journal of the American Chemical Society","2017","139","11","4175","4184","10.1021/jacs.7b00705","","","1.54178","CuKα","","0.1602","0.1222","","","0.2762","0.3189","","","","","","1.105","","","","has coordinates","241482","2020-10-21","18:00:00",""
"4131228","8.4555","0.0003","12.6145","0.0004","14.6274","0.0005","105.622","0.002","90.044","0.002","100.517","0.002","1475.26","0.09","133","2","133","2","","","","","","","","7","P -1","-P 1","2","","","","- C28 H24 F3 Mn N4 O8 S2 -","- C28 H24 F3 Mn N4 O8 S2 -","- C56 H48 F6 Mn2 N8 O16 S4 -","2","1","","G, Upendar Reddy; Axthelm, Jörg; Hoffmann, Patrick; Taye, Nandaraj; Gläser, Steve; Görls, Helmar; Hopkins, Samantha L.; Plass, Winfried; Neugebauer, Ute; Bonnet, Sylvestre; Schiller, Alexander","Co-Registered Molecular Logic Gate with a CO-Releasing Molecule Triggered by Light and Peroxide.","Journal of the American Chemical Society","2017","139","14","4991","4994","10.1021/jacs.7b00867","","","0.71073","MoKα","","0.0798","0.064","","","0.1207","0.13","","","","","","1.145","","","","has coordinates","241483","2020-10-21","18:00:00",""
"4131229","18.8866","0.0006","11.3425","0.0005","11.6682","0.0006","90","","128.13","0.002","90","","1966.2","0.16","133","2","133","2","","","","","","","","7","C 1 c 1","C -2yc","9","","","","- C17 H15 F3 Mn N3 O6 S -","- C17 H15 F3 Mn N3 O6 S -","- C68 H60 F12 Mn4 N12 O24 S4 -","4","1","","G, Upendar Reddy; Axthelm, Jörg; Hoffmann, Patrick; Taye, Nandaraj; Gläser, Steve; Görls, Helmar; Hopkins, Samantha L.; Plass, Winfried; Neugebauer, Ute; Bonnet, Sylvestre; Schiller, Alexander","Co-Registered Molecular Logic Gate with a CO-Releasing Molecule Triggered by Light and Peroxide.","Journal of the American Chemical Society","2017","139","14","4991","4994","10.1021/jacs.7b00867","","","0.71073","MoKα","","0.062","0.0574","","","0.1307","0.1324","","","","","","1.126","","","","has coordinates","241483","2020-10-21","18:00:00",""
"4131230","20.5502","0.0007","7.9367","0.0003","37.7229","0.0014","90","","90","","90","","6152.6","0.4","100","2","100","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C42 H30 N4 O -","- C42 H30 N4 O -","- C336 H240 N32 O8 -","8","1","","Tsujimoto, Hiroyuki; Ha, Dong-Gwang; Markopoulos, Georgios; Chae, Hyun Sik; Baldo, Marc A.; Swager, Timothy M.","Thermally Activated Delayed Fluorescence and Aggregation Induced Emission with Through-Space Charge Transfer.","Journal of the American Chemical Society","2017","139","13","4894","4900","10.1021/jacs.7b00873","","","0.71073","MoKα","","0.0596","0.0465","","","0.1227","0.1327","","","","","","1.052","","","","has coordinates","241484","2020-10-21","18:00:00",""
"4131231","10.6382","0.0004","17.4039","0.0007","18.8993","0.0007","79.892","0.001","87.553","0.001","77.84","0.001","3367.5","0.2","123","0.1","123","0.1","","","","","","","","5","P -1","-P 1","2","Ph2PPrPDIMnH","","","- C39 H42 Mn N3 P2 -","- C39 H42 Mn N3 P2 -","- C156 H168 Mn4 N12 P8 -","4","2","","Mukhopadhyay, Tufan K.; Rock, Christopher L.; Hong, Mannkyu; Ashley, Daniel C.; Groy, Thomas L.; Baik, Mu-Hyun; Trovitch, Ryan J.","Mechanistic Investigation of Bis(imino)pyridine Manganese Catalyzed Carbonyl and Carboxylate Hydrosilylation.","Journal of the American Chemical Society","2017","139","13","4901","4915","10.1021/jacs.7b00879","","","0.71073","MoKα","","0.0641","0.0416","","","0.0883","0.0967","","","","","","1.029","","","","has coordinates","241485","2020-10-21","18:00:00",""
"4131232","14.5008","0.0008","14.7881","0.0009","15.1141","0.0009","92.0219","0.0009","115.433","0.0008","109.457","0.0009","2698.6","0.3","123","0.1","123","0.1","","","","","","","","7","P -1","-P 1","2","2Ph2PPrPDIMnOCPhCF3","","","- C118 H140 F6 Mn2 N6 O8 P4 -","- C118 H140 F6 Mn2 N6 O8 P4 -","- C118 H140 F6 Mn2 N6 O8 P4 -","1","0.5","","Mukhopadhyay, Tufan K.; Rock, Christopher L.; Hong, Mannkyu; Ashley, Daniel C.; Groy, Thomas L.; Baik, Mu-Hyun; Trovitch, Ryan J.","Mechanistic Investigation of Bis(imino)pyridine Manganese Catalyzed Carbonyl and Carboxylate Hydrosilylation.","Journal of the American Chemical Society","2017","139","13","4901","4915","10.1021/jacs.7b00879","","","0.71073","MoKα","","0.0816","0.0529","","","0.1273","0.1417","","","","","","1.027","","","","has coordinates,has disorder","241485","2020-10-21","18:00:00",""
"4131233","7.5646","0.0003","12.0747","0.0007","16.7895","0.0008","106.725","0.005","98.214","0.004","98.25","0.004","1425.78","0.13","100","1","100","1","","","","","","","synthesis as described","6","P -1","-P 1","2","","","","- C28 H22 Br2 N4 O2.66 S2 -","- C28 H22 Br2 N4 O2.664 S2 -","- C56 H44 Br4 N8 O5.328 S4 -","2","1","","Woodward, Alexis N.; Kolesar, Justin M.; Hall, Sara R.; Saleh, Nemah-Allah; Jones, Daniel S.; Walter, Michael G.","Thiazolothiazole Fluorophores Exhibiting Strong Fluorescence and Viologen-Like Reversible Electrochromism.","Journal of the American Chemical Society","2017","139","25","8467","8473","10.1021/jacs.7b01005","","x-ray","0.71073","MoKα","","0.0712","0.0506","","","0.1209","0.1335","","","","","","1.027","","","","has coordinates,has disorder","241486","2020-10-21","18:00:00",""
"4131234","7.5193","0.0002","18.3049","0.0005","9.5705","0.0003","90","","107.611","0.001","90","","1255.55","0.06","133","2","133","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C12 H12 B Br F N O2 -","- C12 H12 B Br F N O2 -","- C48 H48 B4 Br4 F4 N4 O8 -","4","1","","Axthelm, Jörg; Askes, Sven H. C.; Elstner, Martin; G, Upendar Reddy; Görls, Helmar; Bellstedt, Peter; Schiller, Alexander","Fluorinated Boronic Acid-Appended Pyridinium Salts and <sup>19</sup>F NMR Spectroscopy for Diol Sensing.","Journal of the American Chemical Society","2017","139","33","11413","11420","10.1021/jacs.7b01167","","","0.71073","MoKα","","0.0235","0.0202","","","0.0475","0.0498","","","","","","1.053","","","","has coordinates","241487","2020-10-21","18:00:00",""
"4131235","6.5845","0.0003","7.2237","0.0003","15.3914","0.0006","82.136","0.002","79.133","0.002","89.205","0.003","712.14","0.05","133","2","133","2","","","","","","","","7","P -1","-P 1","2","","","","- C13 H12 B Br F3 N O2 -","- C13 H12 B Br F3 N O2 -","- C26 H24 B2 Br2 F6 N2 O4 -","2","1","","Axthelm, Jörg; Askes, Sven H. C.; Elstner, Martin; G, Upendar Reddy; Görls, Helmar; Bellstedt, Peter; Schiller, Alexander","Fluorinated Boronic Acid-Appended Pyridinium Salts and <sup>19</sup>F NMR Spectroscopy for Diol Sensing.","Journal of the American Chemical Society","2017","139","33","11413","11420","10.1021/jacs.7b01167","","","0.71073","MoKα","","0.0311","0.029","","","0.0714","0.0723","","","","","","1.056","","","","has coordinates","241487","2020-10-21","18:00:00",""
"4131236","7.5296","0.0001","17.754","0.0004","9.5971","0.0002","90","","103.537","0.001","90","","1247.3","0.04","133","2","133","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C12 H12 B Br F N O2 -","- C12 H12 B Br F N O2 -","- C48 H48 B4 Br4 F4 N4 O8 -","4","1","","Axthelm, Jörg; Askes, Sven H. C.; Elstner, Martin; G, Upendar Reddy; Görls, Helmar; Bellstedt, Peter; Schiller, Alexander","Fluorinated Boronic Acid-Appended Pyridinium Salts and <sup>19</sup>F NMR Spectroscopy for Diol Sensing.","Journal of the American Chemical Society","2017","139","33","11413","11420","10.1021/jacs.7b01167","","","0.71073","MoKα","","0.031","0.0246","","","0.0486","0.0514","","","","","","1.087","","","","has coordinates","241487","2020-10-21","18:00:00",""
"4131237","18.901","0.004","11.782","0.002","23.68","0.005","90","","90","","90","","5273.3","1.8","293","2","293","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C4 H14 Br4 N2 Pb -","- C4 H14 Br4 N2 Pb -","- C64 H224 Br64 N32 Pb16 -","16","2","","Mao, Lingling; Wu, Yilei; Stoumpos, Constantinos C.; Wasielewski, Michael R.; Kanatzidis, Mercouri G.","White-Light Emission and Structural Distortion in New Corrugated Two-Dimensional Lead Bromide Perovskites.","Journal of the American Chemical Society","2017","139","14","5210","5215","10.1021/jacs.7b01312","","","0.71073","MoKα","","0.1366","0.0789","","","0.1415","0.1628","","","","","","1.09","","","","has coordinates","241489","2020-10-21","18:00:00",""
"4131238","17.625","0.004","11.982","0.002","18.724","0.004","90","","90.44","0.03","90","","3954.1","1.4","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C4 H14 Br4 N2 Pb -","- C4 H14 Br4 N2 Pb -","- C48 H168 Br48 N24 Pb12 -","12","3","","Mao, Lingling; Wu, Yilei; Stoumpos, Constantinos C.; Wasielewski, Michael R.; Kanatzidis, Mercouri G.","White-Light Emission and Structural Distortion in New Corrugated Two-Dimensional Lead Bromide Perovskites.","Journal of the American Chemical Society","2017","139","14","5210","5215","10.1021/jacs.7b01312","","","0.71073","MoKα","","0.0889","0.0559","","","0.1319","0.1477","","","","","","0.984","","","","has coordinates","241489","2020-10-21","18:00:00",""
"4131239","10.7169","0.0013","11.7355","0.001","12.1266","0.0012","90","","111.534","0.008","90","","1418.7","0.3","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C5 H16 Br4 N2 Pb -","- C5 H16 Br4 N2 Pb -","- C20 H64 Br16 N8 Pb4 -","4","1","","Mao, Lingling; Wu, Yilei; Stoumpos, Constantinos C.; Wasielewski, Michael R.; Kanatzidis, Mercouri G.","White-Light Emission and Structural Distortion in New Corrugated Two-Dimensional Lead Bromide Perovskites.","Journal of the American Chemical Society","2017","139","14","5210","5215","10.1021/jacs.7b01312","","","0.71073","MoKα","","0.0522","0.0354","","","0.0599","0.0641","","","","","","1.053","","","","has coordinates","241489","2020-10-21","18:00:00",""
"4131240","41.685","0.008","23.962","0.005","12","0.002","90","","90","","90","","11986","4","293","2","293","2","","","","","","","","5","A e a 2","A 2 -2ab","41","","","","- C6 H18 Br4 N2 Pb -","- C6 H18 Br4 N2 Pb -","- C192 H576 Br128 N64 Pb32 -","32","4","","Mao, Lingling; Wu, Yilei; Stoumpos, Constantinos C.; Wasielewski, Michael R.; Kanatzidis, Mercouri G.","White-Light Emission and Structural Distortion in New Corrugated Two-Dimensional Lead Bromide Perovskites.","Journal of the American Chemical Society","2017","139","14","5210","5215","10.1021/jacs.7b01312","","","0.71073","MoKα","","0.125","0.0541","","","0.0919","0.1112","","","","","","0.831","","","","has coordinates","241489","2020-10-21","18:00:00",""
"4131241","12.46018","0.00013","12.46018","0.00013","19.9836","0.0003","90","","90","","120","","2686.91","0.06","180","2","180","2","","","","","","","","6","P 61","P 61","169","","","","- C3 H12 Cu3 I3 N6 S3 -","- C3 H12 Cu3 I3 N6 S3 -","- C18 H72 Cu18 I18 N36 S18 -","6","1","","Ye, Senyun; Rao, Haixia; Zhao, Ziran; Zhang, Linjuan; Bao, Hongliang; Sun, Weihai; Li, Yunlong; Gu, Feidan; Wang, Jianqiang; Liu, Zhiwei; Bian, Zuqiang; Huang, Chunhui","A Breakthrough Efficiency of 19.9% Obtained in Inverted Perovskite Solar Cells by Using an Efficient Trap State Passivator Cu(thiourea)I.","Journal of the American Chemical Society","2017","139","22","7504","7512","10.1021/jacs.7b01439","","","0.71073","MoKα","","0.0516","0.0506","","","0.1293","0.1298","","","","","","1.122","","","","has coordinates","241490","2020-10-21","18:00:00",""
"4131242","8.96","0.0003","18.1329","0.0006","9.739","0.0003","90","","92.047","0.003","90","","1581.29","0.09","100","2","100","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C16.5 H27 Cl O2 -","- C16.5 H27 Cl O2 -","- C66 H108 Cl4 O8 -","4","2","","Hu, Pengfei; Snyder, Scott A.","Enantiospecific Total Synthesis of the Highly Strained (-)-Presilphiperfolan-8-ol via a Pd-Catalyzed Tandem Cyclization.","Journal of the American Chemical Society","2017","139","14","5007","5010","10.1021/jacs.7b01454","","","1.54178","CuKα","","0.0817","0.046","","","0.0803","0.0915","","","","","","1.004","","","","has coordinates","255262","2020-10-21","18:00:00",""
"4131243","14.8148","0.0009","17.1489","0.001","17.8927","0.001","110.132","0.004","91.24","0.004","106.843","0.004","4047.5","0.4","123","","123","","","","","","","","","6","P -1","-P 1","2","","","","- C88.4 H84 Cl0.6 N9 O10 Ru -","- C88.4 H84 Cl0.6 N9 O10 Ru -","- C176.8 H168 Cl1.2 N18 O20 Ru2 -","2","1","","Kuss-Petermann, Martin; Orazietti, Margherita; Neuburger, Markus; Hamm, Peter; Wenger, Oliver S.","Intramolecular Light-Driven Accumulation of Reduction Equivalents by Proton-Coupled Electron Transfer.","Journal of the American Chemical Society","2017","139","14","5225","5232","10.1021/jacs.7b01605","","","1.5418","CuKα","","0.0998","0.0674","","0.209","0.1781","0.2088","","","","","","1.0222","","","","has coordinates,has disorder","241492","2020-10-21","18:00:00",""
"4131244","11.2322","0.0005","11.2322","0.0005","11.2322","0.0005","90","","90","","90","","1417.08","0.11","298","2","298","","","","","","","","","4","F m -3 m","-F 4 2 3","225","","Dicesium Silver Bismuth Hexabromide","","- Ag Bi Br6 Cs2 -","- Ag Bi Br6 Cs2 -","- Ag4 Bi4 Br24 Cs8 -","4","0.0208333","","Slavney, Adam H.; Leppert, Linn; Bartesaghi, Davide; Gold-Parker, Aryeh; Toney, Michael F.; Savenije, Tom J.; Neaton, Jeffrey B.; Karunadasa, Hemamala I.","Defect-Induced Band-Edge Reconstruction of a Bismuth-Halide Double Perovskite for Visible-Light Absorption.","Journal of the American Chemical Society","2017","139","14","5015","5018","10.1021/jacs.7b01629","","x-ray","0.6888","synchrotron","","0.0109","0.0109","","","0.0224","0.0224","","","","","","1.507","","","","has coordinates","241493","2020-10-21","18:00:00",""
"4131245","11.8941","0.0005","11.8941","0.0005","11.8941","0.0005","90","","90","","90","","1682.65","0.12","298","2","298","","","","","","","","","7","F m -3 m","-F 4 2 3","225","","","","- C2 H12 Ag0.2 Bi Br6 N2 Tl0.8 -","- C2.0004 Ag0.199 Bi Br6 N2.0004 Tl0.8 -","- C8.0016 Ag0.796 Bi4 Br24 N8.0016 Tl3.2 -","4","0.0208333","","Slavney, Adam H.; Leppert, Linn; Bartesaghi, Davide; Gold-Parker, Aryeh; Toney, Michael F.; Savenije, Tom J.; Neaton, Jeffrey B.; Karunadasa, Hemamala I.","Defect-Induced Band-Edge Reconstruction of a Bismuth-Halide Double Perovskite for Visible-Light Absorption.","Journal of the American Chemical Society","2017","139","14","5015","5018","10.1021/jacs.7b01629","","x-ray","0.6888","synchrotron","","0.031","0.0299","","","0.0728","0.0736","","","","","","1.2","","","","has coordinates,has disorder","241494","2020-10-21","18:00:00",""
"4131246","11.9173","0.001","11.9173","0.001","11.9173","0.001","90","","90","","90","","1692.5","0.2","296","2","296.15","","","","","","","","","6","F m -3 m","-F 4 2 3","225","","Bis(methylammonium) Thallium(I) Bismuth Hexabromide","","- C2 H12 Bi Br6 N2 Tl -","- C2.0004 Bi Br6 N2.0004 Tl -","- C8.0016 Bi4 Br24 N8.0016 Tl4 -","4","0.0208333","","Slavney, Adam H.; Leppert, Linn; Bartesaghi, Davide; Gold-Parker, Aryeh; Toney, Michael F.; Savenije, Tom J.; Neaton, Jeffrey B.; Karunadasa, Hemamala I.","Defect-Induced Band-Edge Reconstruction of a Bismuth-Halide Double Perovskite for Visible-Light Absorption.","Journal of the American Chemical Society","2017","139","14","5015","5018","10.1021/jacs.7b01629","","x-ray","0.71073","MoKα","","0.0429","0.0383","","","0.093","0.0969","","","","","","1.219","","","","has coordinates,has disorder","241495","2020-10-21","18:00:00",""
"4131247","12.5921","0.0003","5.3064","0.0001","22.4242","0.0005","90","","99.002","0.001","90","","1479.9","0.06","200","","200","","","","","","","","","5","P 1 21 1","P 2yb","4","KEP-2-091","KEP-2-091","","- C17 H16 F3 N O -","- C17 H16 F3 N O -","- C68 H64 F12 N4 O4 -","4","2","","Poremba, Kelsey E.; Kadunce, Nathaniel T.; Suzuki, Naoyuki; Cherney, Alan H.; Reisman, Sarah E.","Nickel-Catalyzed Asymmetric Reductive Cross-Coupling To Access 1,1-Diarylalkanes.","Journal of the American Chemical Society","2017","139","16","5684","5687","10.1021/jacs.7b01705","","","1.54178","CuKα","","0.0488","0.039","","","0.0826","0.0872","","","","","","1.028","","","","has coordinates","255262","2020-10-21","18:00:00",""
"4131248","9.8642","0.0007","12.484","0.0007","15.7552","0.0009","90","","98.445","0.004","90","","1919.1","0.2","153","2","153","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C23 H22 B N O2 -","- C23 H22 B N O2 -","- C92 H88 B4 N4 O8 -","4","1","","Chapin, Brette M.; Metola, Pedro; Vankayala, Sai Lakshmana; Woodcock, H. Lee; Mooibroek, Tiddo J.; Lynch, Vincent M.; Larkin, Joseph D.; Anslyn, Eric V.","Disaggregation is a Mechanism for Emission Turn-On of ortho-Aminomethylphenylboronic Acid-Based Saccharide Sensors.","Journal of the American Chemical Society","2017","139","15","5568","5578","10.1021/jacs.7b01755","","","0.71073","MoKα","","0.0798","0.0483","","","0.1138","0.134","","","","","","1.001","","","","has coordinates","241497","2020-10-21","18:00:00",""
"4131249","17.6869","0.0007","17.5134","0.0007","17.6063","0.0006","90","","90","","90","","5453.7","0.4","296","2","296","2","","","","","","","","4","P c c n","-P 2ab 2ac","56","","","","- C72 H62 B2 N2 -","- C72 H62 B2 N2 -","- C288 H248 B8 N8 -","4","0.5","","Santos, Willy G.; Budkina, Darya S.; Deflon, Victor M.; Tarnovsky, Alexander N.; Cardoso, Daniel R.; Forbes, Malcolm D. E.","Photoinduced Charge Shifts and Electron Transfer in Viologen-Tetraphenylborate Complexes: Push-Pull Character of the Exciplex.","Journal of the American Chemical Society","2017","139","23","7681","7684","10.1021/jacs.7b01946","","","0.71073","MoKα","","0.0882","0.0513","","","0.1321","0.1556","","","","","","1.042","","","","has coordinates","241498","2020-10-21","18:00:00",""
"4131250","8.9299","0.0008","13.6476","0.0011","21.9545","0.0018","89.957","0.003","83.601","0.003","88.427","0.003","2658","0.4","296","2","296","2","","","","","","","","4","P -1","-P 1","2","","","","- C64 H60 B2 N4 -","- C64 H60 B2 N4 -","- C128 H120 B4 N8 -","2","1","","Santos, Willy G.; Budkina, Darya S.; Deflon, Victor M.; Tarnovsky, Alexander N.; Cardoso, Daniel R.; Forbes, Malcolm D. E.","Photoinduced Charge Shifts and Electron Transfer in Viologen-Tetraphenylborate Complexes: Push-Pull Character of the Exciplex.","Journal of the American Chemical Society","2017","139","23","7681","7684","10.1021/jacs.7b01946","","","0.71073","MoKα","","0.0844","0.0562","","","0.1673","0.186","","","","","","1.03","","","","has coordinates","241499","2020-10-21","18:00:00",""
"4131251","14.414","0.005","11.965","0.005","32.171","0.005","90","0.005","101.231","0.005","90","0.005","5442","3","120","2","120","2","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C18 H22 Cl2 N4 Ni O8 S2 -","- C18 H22 Cl2 N4 Ni O8 S2 -","- C144 H176 Cl16 N32 Ni8 O64 S16 -","8","2","","Hong, Dachao; Tsukakoshi, Yuto; Kotani, Hiroaki; Ishizuka, Tomoya; Kojima, Takahiko","Visible-Light-Driven Photocatalytic CO<sub>2</sub> Reduction by a Ni(II) Complex Bearing a Bioinspired Tetradentate Ligand for Selective CO Production.","Journal of the American Chemical Society","2017","139","19","6538","6541","10.1021/jacs.7b01956","","","0.71069","MoKα","","0.0935","0.0678","","","0.1835","0.1959","","","","","","1.053","","","","has coordinates","251896","2020-10-21","18:00:00",""
"4131252","14.6603","0.0004","12.7003","0.0003","17.8348","0.0004","90","","94.2177","0.0011","90","","3311.67","0.14","110","","110","","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C36 H28 Cl3 P2 Pd Sb -","- C36 H28 Cl3 P2 Pd Sb -","- C144 H112 Cl12 P8 Pd4 Sb4 -","4","1","","Sahu, Sumit; Gabbaï, François P","Photoreductive Elimination of Chlorine from Antimony in an [SbPd]<sup>VII</sup> Complex.","Journal of the American Chemical Society","2017","139","14","5035","5038","10.1021/jacs.7b01977","","","0.71073","MoKα","","0.0389","0.0272","","","0.0568","0.0622","","","","","","1.095","","","","has coordinates","241501","2020-10-21","18:00:00",""
"4131253","13.1833","0.0005","14.0387","0.0005","18.8114","0.0007","90","","90","","90","","3481.5","0.2","110","","110","","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C36 H28 Cl5 P2 Pd Sb -","- C36 H28 Cl5 P2 Pd Sb -","- C144 H112 Cl20 P8 Pd4 Sb4 -","4","1","","Sahu, Sumit; Gabbaï, François P","Photoreductive Elimination of Chlorine from Antimony in an [SbPd]<sup>VII</sup> Complex.","Journal of the American Chemical Society","2017","139","14","5035","5038","10.1021/jacs.7b01977","","","0.71073","MoKα","","0.0484","0.0367","","","0.0742","0.0792","","","","","","1.08","","","","has coordinates","241502","2020-10-21","18:00:00",""
"4131254","12.6573","0.0004","13.9154","0.0003","16.418","0.0003","89.5764","0.0014","84.6591","0.0017","83.2243","0.0019","2859.04","0.12","293","2","293","2","","","","","","","","7","P -1","-P 1","2","","","","- C55.32 H68 B F15 Fe N2 P4 -","- C55.323 H68 B F15 Fe N2 P4 -","- C110.646 H136 B2 F30 Fe2 N4 P8 -","2","1","","Geri, Jacob B.; Shanahan, James P.; Szymczak, Nathaniel K.","Testing the Push-Pull Hypothesis: Lewis Acid Augmented N<sub>2</sub> Activation at Iron.","Journal of the American Chemical Society","2017","139","16","5952","5956","10.1021/jacs.7b01982","","x-ray","1.54184","CuKα","","0.0609","0.0595","","","0.1592","0.161","","","","","","1.045","","","","has coordinates,has disorder","241503","2020-10-21","18:00:00",""
"4131255","24.2958","0.00009","12.25554","0.00004","27.26129","0.0001","90","","90","","90","","8117.27","0.05","80","","80","","","","","","","","","7","P n a 21","P 2c -2n","33","","","","- C76 H66 B2 F40 Fe N2 P4 -","- C75.9999 H65.9995 B2 F40 Fe N2 P4 -","- C304 H263.998 B8 F160 Fe4 N8 P16 -","4","1","","Geri, Jacob B.; Shanahan, James P.; Szymczak, Nathaniel K.","Testing the Push-Pull Hypothesis: Lewis Acid Augmented N<sub>2</sub> Activation at Iron.","Journal of the American Chemical Society","2017","139","16","5952","5956","10.1021/jacs.7b01982","","x-ray","1.54184","CuKα","","0.0754","0.0753","","","0.1947","0.1949","","","","","","1.079","","","","has coordinates,has disorder","241503","2020-10-21","18:00:00",""
"4131256","26.3521","0.0003","22.42897","0.00019","35.7607","0.0003","90","","90.7535","0.0008","90","","21134.6","0.3","90","","90","","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C65.43 H86.4 B1.6 F19.6 Fe1.6 N6.4 P3.2 -","- C65.4328 H86.4 B1.6 F19.6 Fe1.6 N6.4 P3.2 -","- C654.328 H864 B16 F196 Fe16 N64 P32 -","10","2.5","","Geri, Jacob B.; Shanahan, James P.; Szymczak, Nathaniel K.","Testing the Push-Pull Hypothesis: Lewis Acid Augmented N<sub>2</sub> Activation at Iron.","Journal of the American Chemical Society","2017","139","16","5952","5956","10.1021/jacs.7b01982","","","1.54184","CuKα","","0.0965","0.0855","","","0.231","0.2421","","","","","","1.015","","","","has coordinates,has disorder","241503","2020-10-21","18:00:00",""
"4131257","15.0213","0.001","25.1312","0.0012","28.3846","0.0014","114.492","0.005","98.338","0.005","92.257","0.005","9588.9","1","100.01","0.1","100.01","0.1","","","","","","","","7","P -1","-P 1","2","","","","- C108.9 H90 Cu6 F3.3 O2.71 P6.1 S0.9 -","- C108.901 H90 Cu6 F3.297 O2.703 P6.099 S0.901 -","- C435.604 H360 Cu24 F13.188 O10.812 P24.396 S3.604 -","4","2","","Liu, Shuo; Eberhart, Michael S.; Norton, Jack R.; Yin, Xiaodong; Neary, Michelle C.; Paley, Daniel W.","Cationic Copper Hydride Clusters Arising from Oxidation of (Ph<sub>3</sub>P)<sub>6</sub>Cu<sub>6</sub>H<sub>6</sub>.","Journal of the American Chemical Society","2017","139","23","7685","7688","10.1021/jacs.7b02183","","x-ray","1.54184","CuKα","","0.2022","0.0983","","","0.2187","0.2908","","","","","","0.999","","","","has coordinates,has disorder","241504","2020-10-21","18:00:00",""
"4131258","18.193","0.004","16.401","0.003","46.871","0.009","90","","92.094","0.003","90","","13976","5","130","2","130","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C166 H143 B Cu7 F20 O4 P7 -","- C150 H111 B Cu7 F20 P7 -","- C600 H444 B4 Cu28 F80 P28 -","4","1","","Liu, Shuo; Eberhart, Michael S.; Norton, Jack R.; Yin, Xiaodong; Neary, Michelle C.; Paley, Daniel W.","Cationic Copper Hydride Clusters Arising from Oxidation of (Ph<sub>3</sub>P)<sub>6</sub>Cu<sub>6</sub>H<sub>6</sub>.","Journal of the American Chemical Society","2017","139","23","7685","7688","10.1021/jacs.7b02183","","","0.71073","MoKα","","0.1349","0.0593","","","0.0997","0.1139","","","","","","1.002","","","","has coordinates","241505","2020-10-21","18:00:00",""
"4131259","14.1168","0.001","15.7553","0.0011","17.7494","0.0013","90","","108.704","0.001","90","","3739.2","0.5","90","2","90","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C76 H108 Sn2 -","- C76 H108 Sn2 -","- C152 H216 Sn4 -","2","0.5","","Wang, Shuai; McCrea-Hendrick, Madison L; Weinstein, Cory M.; Caputo, Christine A.; Hoppe, Elke; Fettinger, James C.; Olmstead, Marilyn M.; Power, Philip P.","Dynamic Behavior and Isomerization Equilibria of Distannenes Synthesized by Tin Hydride/Olefin Insertions: Characterization of the Elusive Monohydrido Bridged Isomer.","Journal of the American Chemical Society","2017","139","19","6586","6595","10.1021/jacs.7b02269","","","0.71073","MoKα","","0.0348","0.0287","","","0.0665","0.0694","","","","","","1.039","","","","has coordinates,has disorder","241506","2020-10-21","18:00:00",""
"4131260","42.812","0.005","12.9077","0.0014","27.383","0.003","90","","104.88","0.002","90","","14625","3","90","2","90","2","","","","","","","","3","C 1 2/c 1","-C 2yc","15","","","","- C76 H108 Sn2 -","- C76 H108 Sn2 -","- C608 H864 Sn16 -","8","1","","Wang, Shuai; McCrea-Hendrick, Madison L; Weinstein, Cory M.; Caputo, Christine A.; Hoppe, Elke; Fettinger, James C.; Olmstead, Marilyn M.; Power, Philip P.","Dynamic Behavior and Isomerization Equilibria of Distannenes Synthesized by Tin Hydride/Olefin Insertions: Characterization of the Elusive Monohydrido Bridged Isomer.","Journal of the American Chemical Society","2017","139","19","6586","6595","10.1021/jacs.7b02269","","","0.71073","MoKα","","0.1492","0.0625","","","0.1444","0.164","","","","","","1.022","","","","has coordinates,has disorder","241506","2020-10-21","18:00:00",""
"4131261","24.2225","0.0014","11.8023","0.0007","23.2736","0.0014","90","","117.075","0.001","90","","5924.3","0.6","90","2","90.15","","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C67 H86 Sn2 -","- C67 H86 Sn2 -","- C268 H344 Sn8 -","4","1","","Wang, Shuai; McCrea-Hendrick, Madison L; Weinstein, Cory M.; Caputo, Christine A.; Hoppe, Elke; Fettinger, James C.; Olmstead, Marilyn M.; Power, Philip P.","Dynamic Behavior and Isomerization Equilibria of Distannenes Synthesized by Tin Hydride/Olefin Insertions: Characterization of the Elusive Monohydrido Bridged Isomer.","Journal of the American Chemical Society","2017","139","19","6586","6595","10.1021/jacs.7b02269","","","0.71073","MoKα","","0.0469","0.0311","","","0.0803","0.1013","","","","","","1.041","","","","has coordinates","241506","2020-10-21","18:00:00",""
"4131262","10.9056","0.0011","13.3212","0.0013","13.5201","0.0014","109.129","0.0013","100.475","0.0014","92.3398","0.0015","1814.1","0.3","90","2","90","2","","","","","","","","3","P -1","-P 1","2","","","","- C84 H112 Sn2 -","- C84 H112 Sn2 -","- C84 H112 Sn2 -","1","0.5","","Wang, Shuai; McCrea-Hendrick, Madison L; Weinstein, Cory M.; Caputo, Christine A.; Hoppe, Elke; Fettinger, James C.; Olmstead, Marilyn M.; Power, Philip P.","Dynamic Behavior and Isomerization Equilibria of Distannenes Synthesized by Tin Hydride/Olefin Insertions: Characterization of the Elusive Monohydrido Bridged Isomer.","Journal of the American Chemical Society","2017","139","19","6586","6595","10.1021/jacs.7b02269","","","0.71073","MoKα","","0.07","0.055","","","0.1122","0.1166","","","","","","1.223","","","","has coordinates,has disorder","241506","2020-10-21","18:00:00",""
"4131263","24.8482","0.0003","13.0549","0.0001","30.6387","0.0003","90","","111.726","0.001","90","","9232.9","0.17","90","2","90","2","","","","","","","","3","C 1 2/c 1","-C 2yc","15","","","","- C105 H148 Sn2 -","- C105 H148 Sn2 -","- C420 H592 Sn8 -","4","0.5","","Wang, Shuai; McCrea-Hendrick, Madison L; Weinstein, Cory M.; Caputo, Christine A.; Hoppe, Elke; Fettinger, James C.; Olmstead, Marilyn M.; Power, Philip P.","Dynamic Behavior and Isomerization Equilibria of Distannenes Synthesized by Tin Hydride/Olefin Insertions: Characterization of the Elusive Monohydrido Bridged Isomer.","Journal of the American Chemical Society","2017","139","19","6586","6595","10.1021/jacs.7b02269","","","0.71073","MoKα","","0.065","0.0431","","","0.0745","0.0799","","","","","","1.035","","","","has coordinates,has disorder","241506","2020-10-21","18:00:00",""
"4131264","12.2343","0.0004","12.3376","0.0004","13.1415","0.0004","92.9593","0.0012","92.3314","0.0012","108.371","0.0012","1876.6","0.1","90","2","90","2","","","","","","","","3","P -1","-P 1","2","","","","- C86 H116 Sn2 -","- C86 H116 Sn2 -","- C86 H116 Sn2 -","1","0.5","","Wang, Shuai; McCrea-Hendrick, Madison L; Weinstein, Cory M.; Caputo, Christine A.; Hoppe, Elke; Fettinger, James C.; Olmstead, Marilyn M.; Power, Philip P.","Dynamic Behavior and Isomerization Equilibria of Distannenes Synthesized by Tin Hydride/Olefin Insertions: Characterization of the Elusive Monohydrido Bridged Isomer.","Journal of the American Chemical Society","2017","139","19","6586","6595","10.1021/jacs.7b02269","","","1.54178","CuKα","","0.0533","0.0506","","","0.1339","0.1359","","","","","","1.035","","","","has coordinates,has disorder","241506","2020-10-21","18:00:00",""
"4131265","11.9437","0.0007","16.5134","0.001","20.8121","0.0013","84.9379","0.0009","88.9163","0.0009","88.8673","0.0009","4087.4","0.4","90","2","90","2","","","","","","","","4","P -1","-P 1","2","[(Ar*)(3,3-dimethylbutyl)(H/OH)Sn-Sn(Ar*).2toluene Ar* = C6H3-2,6(2,4,6-i-Pr3C6H3)2","","","- C92 H127.77 O0.23 Sn2 -","- C92 H127.769 O0.2308 Sn2 -","- C184 H255.538 O0.4616 Sn4 -","2","1","","Wang, Shuai; McCrea-Hendrick, Madison L; Weinstein, Cory M.; Caputo, Christine A.; Hoppe, Elke; Fettinger, James C.; Olmstead, Marilyn M.; Power, Philip P.","Dynamic Behavior and Isomerization Equilibria of Distannenes Synthesized by Tin Hydride/Olefin Insertions: Characterization of the Elusive Monohydrido Bridged Isomer.","Journal of the American Chemical Society","2017","139","19","6586","6595","10.1021/jacs.7b02269","","","0.71073","MoKα","","0.0631","0.0424","","","0.0976","0.1089","","","","","","1.038","","","","has coordinates,has disorder","241506","2020-10-21","18:00:00",""
"4131266","13.467","0.0011","13.5435","0.0011","20.6086","0.0016","100.981","0.001","107.806","0.001","96.11","0.001","3458.3","0.5","90","2","90","2","","","","","","","","3","P -1","-P 1","2","","","","- C80 H104 Sn2 -","- C80 H104 Sn2 -","- C160 H208 Sn4 -","2","1","","Wang, Shuai; McCrea-Hendrick, Madison L; Weinstein, Cory M.; Caputo, Christine A.; Hoppe, Elke; Fettinger, James C.; Olmstead, Marilyn M.; Power, Philip P.","Dynamic Behavior and Isomerization Equilibria of Distannenes Synthesized by Tin Hydride/Olefin Insertions: Characterization of the Elusive Monohydrido Bridged Isomer.","Journal of the American Chemical Society","2017","139","19","6586","6595","10.1021/jacs.7b02269","","","0.71073","MoKα","","0.0578","0.0441","","","0.1208","0.1268","","","","","","1.03","","","","has coordinates,has disorder","241506","2020-10-21","18:00:00",""
"4131267","16.9165","0.001","14.5926","0.0008","24.5953","0.0013","90","","95.711","0.002","90","","6041.4","0.6","100","2","100","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","Sn(C6H3-2,6(2,6-i-Pr2C6H3)2)(CH3)2Sn(C6H3-2,6(2,6-i-Pr2C6H3)2)(CH3).toluene","","","- C69 H88 Sn2 -","- C69 H88 Sn2 -","- C276 H352 Sn8 -","4","1","","Wang, Shuai; McCrea-Hendrick, Madison L; Weinstein, Cory M.; Caputo, Christine A.; Hoppe, Elke; Fettinger, James C.; Olmstead, Marilyn M.; Power, Philip P.","Dynamic Behavior and Isomerization Equilibria of Distannenes Synthesized by Tin Hydride/Olefin Insertions: Characterization of the Elusive Monohydrido Bridged Isomer.","Journal of the American Chemical Society","2017","139","19","6586","6595","10.1021/jacs.7b02269","","","0.71073","MoKα","","0.0445","0.0373","","","0.0912","0.096","","","","","","1.02","","","","has coordinates","241506","2020-10-21","18:00:00",""
"4131268","14.6287","0.0007","18.6066","0.0008","20.5602","0.0007","82.347","0.003","87.749","0.003","88.425","0.004","5540.8","0.4","100","2","100.15","","","","","","","","","5","P -1","-P 1","2","","","","- C89 H134 N19 O16.5 S2 -","- C89 H143 N19 O16.5 S2 -","- C178 H286 N38 O33 S4 -","2","1","","He, Qing; Kelliher, Michael; Bähring, Steffen; Lynch, Vincent M.; Sessler, Jonathan L.","A Bis-calix[4]pyrrole Enzyme Mimic That Constrains Two Oxoanions in Close Proximity.","Journal of the American Chemical Society","2017","139","21","7140","7143","10.1021/jacs.7b02329","","","0.71073","MoKα","","0.1672","0.1084","","","0.2912","0.3339","","","","","","1.033","","","","has coordinates,has disorder","241507","2020-10-21","18:00:00",""
"4131269","22.803","0.003","25.336","0.003","20.96","0.003","90","","95.773","0.003","90","","12048","3","100","2","100.15","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C114 H155 N19 O15 P2 -","- C114 H180 N19 O15 P2 -","- C456 H720 N76 O60 P8 -","4","1","","He, Qing; Kelliher, Michael; Bähring, Steffen; Lynch, Vincent M.; Sessler, Jonathan L.","A Bis-calix[4]pyrrole Enzyme Mimic That Constrains Two Oxoanions in Close Proximity.","Journal of the American Chemical Society","2017","139","21","7140","7143","10.1021/jacs.7b02329","","","0.71075","MoKα","","0.296","0.1384","","","0.2848","0.3686","","","","","","1.039","","","","has coordinates,has disorder","241508","2020-10-21","18:00:00",""
"4131270","15.0606","0.0006","18.5209","0.0007","20.3176","0.001","90","","96.226","0.004","90","","5633.9","0.4","100","0.1","100","0.1","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C98 H134 N18 O28 P4 -","- C97.78 H133.84 N18 O27.626 P4 -","- C195.56 H267.68 N36 O55.252 P8 -","2","0.5","","He, Qing; Kelliher, Michael; Bähring, Steffen; Lynch, Vincent M.; Sessler, Jonathan L.","A Bis-calix[4]pyrrole Enzyme Mimic That Constrains Two Oxoanions in Close Proximity.","Journal of the American Chemical Society","2017","139","21","7140","7143","10.1021/jacs.7b02329","","x-ray","1.54184","CuKα","","0.1753","0.1393","","","0.3719","0.4136","","","","","","1.379","","","","has coordinates,has disorder","241509","2020-10-21","18:00:00",""
"4131271","38.954","0.005","6.9664","0.0009","24.402","0.003","90","","97.187","0.003","90","","6569.9","1.4","100","2","100.15","","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C40 H0 Cl0.12 N6 O2 -","- C33 H43 N7 O4 -","- C264 H344 N56 O32 -","8","1","","He, Qing; Kelliher, Michael; Bähring, Steffen; Lynch, Vincent M.; Sessler, Jonathan L.","A Bis-calix[4]pyrrole Enzyme Mimic That Constrains Two Oxoanions in Close Proximity.","Journal of the American Chemical Society","2017","139","21","7140","7143","10.1021/jacs.7b02329","","","0.71075","MoKα","","0.1803","0.1138","","","0.2852","0.3306","","","","","","1.059","","","","has coordinates","241510","2020-10-21","18:00:00",""
"4131272","10.2141","0.0005","13.2874","0.0008","29.0597","0.0013","90","","92.361","0.004","90","","3940.6","0.4","100","2","100.15","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C86.12 H104.18 N20.06 O4.49 -","- C86.12 H104.18 N20.06 O4.49 -","- C172.24 H208.36 N40.12 O8.98 -","2","0.5","","He, Qing; Kelliher, Michael; Bähring, Steffen; Lynch, Vincent M.; Sessler, Jonathan L.","A Bis-calix[4]pyrrole Enzyme Mimic That Constrains Two Oxoanions in Close Proximity.","Journal of the American Chemical Society","2017","139","21","7140","7143","10.1021/jacs.7b02329","","","0.71073","MoKα","","0.1623","0.0989","","","0.2376","0.2795","","","","","","1.052","","","","has coordinates,has disorder","241511","2020-10-21","18:00:00",""
"4131273","15.9914","0.0009","17.7499","0.0007","16.3249","0.0008","90","","111.526","0.006","90","","4310.6","0.4","123","2","123","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C43 H37 Al2 Cl6 N3 O P2 -","- C43 H29 Al2 Cl6 N3 O P2 -","- C172 H116 Al8 Cl24 N12 O4 P8 -","4","1","","Takaya, Jun; Iwasawa, Nobuharu","Synthesis, Structure, and Catalysis of Palladium Complexes Bearing a Group 13 Metalloligand: Remarkable Effect of an Aluminum-Metalloligand in Hydrosilylation of CO<sub>2</sub>.","Journal of the American Chemical Society","2017","139","17","6074","6077","10.1021/jacs.7b02553","","","0.71073","MoKα","","0.1553","0.1041","","","0.2686","0.317","","","","","","1.022","","","","has coordinates,has disorder","241512","2020-10-21","18:00:00",""
"4131274","16.2505","0.0006","18.0456","0.0006","16.419","0.0008","90","","106.315","0.005","90","","4621","0.3","123","2","123","2","","","","","","","","7","P 1 a 1","P -2ya","7","","","","- C45 H41 Cl6 Ga2 N3 O1.5 P2 -","- C45 H41 Cl6 Ga2 N3 O1.5 P2 -","- C180 H164 Cl24 Ga8 N12 O6 P8 -","4","2","","Takaya, Jun; Iwasawa, Nobuharu","Synthesis, Structure, and Catalysis of Palladium Complexes Bearing a Group 13 Metalloligand: Remarkable Effect of an Aluminum-Metalloligand in Hydrosilylation of CO<sub>2</sub>.","Journal of the American Chemical Society","2017","139","17","6074","6077","10.1021/jacs.7b02553","","","0.71073","MoKα","","0.1076","0.0629","","","0.1285","0.1484","","","","","","1.038","","","","has coordinates","241512","2020-10-21","18:00:00",""
"4131275","10.6347","0.0004","15.1587","0.0005","16.3064","0.0009","116.078","0.004","107.927","0.004","91.446","0.003","2206.5","0.2","123","2","123","2","","","","","","","","7","P -1","-P 1","2","","","","- C43 H37 Cl6 In2 N3 O P2 -","- C43 H37 Cl6 In2 N3 O P2 -","- C86 H74 Cl12 In4 N6 O2 P4 -","2","1","","Takaya, Jun; Iwasawa, Nobuharu","Synthesis, Structure, and Catalysis of Palladium Complexes Bearing a Group 13 Metalloligand: Remarkable Effect of an Aluminum-Metalloligand in Hydrosilylation of CO<sub>2</sub>.","Journal of the American Chemical Society","2017","139","17","6074","6077","10.1021/jacs.7b02553","","","0.71073","MoKα","","0.1014","0.0623","","","0.1427","0.1654","","","","","","1.033","","","","has coordinates","241512","2020-10-21","18:00:00",""
"4131276","23.6164","0.0003","22.668","0.0003","36.3526","0.0004","90","","104.873","0.0012","90","","18808.9","0.4","123","2","123","2","","","","","","","","7","P 1 2/c 1","-P 2yc","13","","","","- C39 H29 Al Cl3 N3 P2 Pd -","- C39 H29 Al Cl3 N3 P2 Pd -","- C624 H464 Al16 Cl48 N48 P32 Pd16 -","16","4","","Takaya, Jun; Iwasawa, Nobuharu","Synthesis, Structure, and Catalysis of Palladium Complexes Bearing a Group 13 Metalloligand: Remarkable Effect of an Aluminum-Metalloligand in Hydrosilylation of CO<sub>2</sub>.","Journal of the American Chemical Society","2017","139","17","6074","6077","10.1021/jacs.7b02553","","","0.71073","MoKα","","0.0715","0.0454","","","0.1071","0.1174","","","","","","1.039","","","","has coordinates","241512","2020-10-21","18:00:00",""
"4131277","15.6604","0.0007","15.4147","0.0007","17.6596","0.0007","90","","100.425","0.004","90","","4192.7","0.3","123","2","123","2","","","","","","","","8","P 1 21/a 1","-P 2yab","14","","","","- C42 H36 Cl3 Ga N4 O P2 Pd -","- C42 H36 Cl3 Ga N4 O P2 Pd -","- C168 H144 Cl12 Ga4 N16 O4 P8 Pd4 -","4","1","","Takaya, Jun; Iwasawa, Nobuharu","Synthesis, Structure, and Catalysis of Palladium Complexes Bearing a Group 13 Metalloligand: Remarkable Effect of an Aluminum-Metalloligand in Hydrosilylation of CO<sub>2</sub>.","Journal of the American Chemical Society","2017","139","17","6074","6077","10.1021/jacs.7b02553","","","0.71073","MoKα","","0.0874","0.0509","","","0.1292","0.1536","","","","","","1.083","","","","has coordinates","241512","2020-10-21","18:00:00",""
"4131278","15.37","0.0003","18.6633","0.0004","17.1449","0.0003","90","","105.464","0.002","90","","4740.05","0.17","123","2","123","2","","","","","","","","9","P 1 21/a 1","-P 2yab","14","","","","- C45 H47 Cl3 In N3 O3 P2 Pd S3 -","- C45 H47 Cl3 In N3 O3 P2 Pd S3 -","- C180 H188 Cl12 In4 N12 O12 P8 Pd4 S12 -","4","1","","Takaya, Jun; Iwasawa, Nobuharu","Synthesis, Structure, and Catalysis of Palladium Complexes Bearing a Group 13 Metalloligand: Remarkable Effect of an Aluminum-Metalloligand in Hydrosilylation of CO<sub>2</sub>.","Journal of the American Chemical Society","2017","139","17","6074","6077","10.1021/jacs.7b02553","","","0.71073","MoKα","","0.064","0.0469","","","0.1421","0.154","","","","","","1.09","","","","has coordinates","241512","2020-10-21","18:00:00",""
"4131279","8.2927","0.0009","20.973","0.002","22.4","0.003","68.639","0.008","81.11","0.008","85.463","0.008","3583.6","0.7","100","2","100","2","","","","","","","","6","P -1","-P 1","2","","","","- C114 H96 F72 N12 O0 P12 -","- C114 H96 F72 N12 P12 -","- C114 H96 F72 N12 P12 -","1","0.5","","Das, Gobinda; Skorjanc, Tina; Sharma, Sudhir Kumar; Gándara, Felipe; Lusi, Matteo; Shankar Rao, D. S.; Vimala, Sridurai; Krishna Prasad, Subbarao; Raya, Jesus; Han, Dong Suk; Jagannathan, Ramesh; Olsen, John-Carl; Trabolsi, Ali","Viologen-Based Conjugated Covalent Organic Networks via Zincke Reaction.","Journal of the American Chemical Society","2017","139","28","9558","9565","10.1021/jacs.7b02836","","","1.54178","CuKα","","0.1552","0.1032","","","0.2822","0.312","","","","","","1.075","","","","has coordinates","241513","2020-10-21","18:00:00",""
"4131280","12.3678","0.0018","13.938","0.002","36.575","0.006","90","","93.498","0.007","90","","6293.1","1.6","173","2","173","2","","","","","","","","8","P 1 n 1","P -2yac","7","","","","- C112 H202 Al2 Co2 Li2 N8 O12 P6 -","- C112 H202 Al2 Co2 Li2 N8 O12 P6 -","- C224 H404 Al4 Co4 Li4 N16 O24 P12 -","2","1","","Vollmer, Matthew V.; Xie, Jing; Lu, Connie C.","Stable Dihydrogen Complexes of Cobalt(-I) Suggest an Inverse trans-Influence of Lewis Acidic Group 13 Metalloligands.","Journal of the American Chemical Society","2017","139","19","6570","6573","10.1021/jacs.7b02870","","","0.71073","MoKα","","0.0817","0.0624","","","0.1445","0.1543","","","","","","1.07","","","","has coordinates","241514","2020-10-21","18:00:00",""
"4131281","15.7589","0.0011","16.9042","0.0014","21.5439","0.0017","83.33","0.003","85.737","0.002","87.113","0.003","5679.5","0.8","125","2","125","2","","","","","","","","8","P -1","-P 1","2","","","","- C110 H180 Co2 Ga2 Li2 N8 O8 P6 -","- C110 H180 Co2 Ga2 Li2 N8 O8 P6 -","- C220 H360 Co4 Ga4 Li4 N16 O16 P12 -","2","1","","Vollmer, Matthew V.; Xie, Jing; Lu, Connie C.","Stable Dihydrogen Complexes of Cobalt(-I) Suggest an Inverse trans-Influence of Lewis Acidic Group 13 Metalloligands.","Journal of the American Chemical Society","2017","139","19","6570","6573","10.1021/jacs.7b02870","","","0.71073","MoKα","","0.1186","0.0529","","","0.1101","0.1427","","","","","","1.111","","","","has coordinates,has disorder","241514","2020-10-21","18:00:00",""
"4131282","11.409","0.002","12.13","0.002","23.099","0.004","98.56","0.008","90.383","0.01","103.728","0.01","3067.8","0.9","127","2","127","2","","","","","","","","8","P -1","-P 1","2","","","","- C58 H94.9 Co In Li N4 O4 P3 -","- C58 H94.9 Co In Li N4 O4 P3 -","- C116 H189.8 Co2 In2 Li2 N8 O8 P6 -","2","1","","Vollmer, Matthew V.; Xie, Jing; Lu, Connie C.","Stable Dihydrogen Complexes of Cobalt(-I) Suggest an Inverse trans-Influence of Lewis Acidic Group 13 Metalloligands.","Journal of the American Chemical Society","2017","139","19","6570","6573","10.1021/jacs.7b02870","","","0.71073","MoKα","","0.0786","0.0496","","","0.1052","0.1215","","","","","","1.043","","","","has coordinates,has disorder","241514","2020-10-21","18:00:00",""
"4131283","35.3839","0.0004","11.1376","0.0002","51.7427","0.0009","90","","95.806","0.001","90","","20286.8","0.6","100","2","100","2","","","","","","","","8","I 1 2/a 1","-I 2ya","15","","","","- C95.25 H104.25 B0 Cl8.75 N8 Ni2 O4 Zn -","- C95.25 H100.5 Cl8.75 N8 Ni2.1 O4.1 Zn -","- C762 H804 Cl70 N64 Ni16.8 O32.8 Zn8 -","8","1","","Doistau, Benjamin; Benda, Lorien; Cantin, Jean-Louis; Chamoreau, Lise-Marie; Ruiz, Eliseo; Marvaud, Valérie; Hasenknopf, Bernold; Vives, Guillaume","Six States Switching of Redox-Active Molecular Tweezers by Three Orthogonal Stimuli.","Journal of the American Chemical Society","2017","139","27","9213","9220","10.1021/jacs.7b02945","","x-ray","0.66825","synchrotron","","0.1181","0.0863","","","0.2576","0.2893","","","","","","1.027","","","","has coordinates,has disorder","241515","2020-10-21","18:00:00",""
"4131284","41.7129","0.0008","7.0905","0.0001","17.3156","0.0003","90","","90","","90","","5121.35","0.15","200","2","200","2","","","","","","","","7","P c a 21","P 2c -2ac","29","","","","- C54 H56 Br Cl2 N5 Ni O2 -","- C53 H54 Br N5 Ni O2 -","- C212 H216 Br4 N20 Ni4 O8 -","4","1","","Doistau, Benjamin; Benda, Lorien; Cantin, Jean-Louis; Chamoreau, Lise-Marie; Ruiz, Eliseo; Marvaud, Valérie; Hasenknopf, Bernold; Vives, Guillaume","Six States Switching of Redox-Active Molecular Tweezers by Three Orthogonal Stimuli.","Journal of the American Chemical Society","2017","139","27","9213","9220","10.1021/jacs.7b02945","","","1.54183","CuKα","","0.0519","0.0491","","","0.135","0.1373","","","","","","1.057","","","","has coordinates","241516","2020-10-21","18:00:00",""
"4131285","24.623","0.002","15.4246","0.0014","15.0059","0.0014","90","","119.147","0.003","90","","4977.6","0.8","100","2","100","2","","","","","","","","3","C 1 2/c 1","-C 2yc","15","","","","- C34 H30 O -","- C34 H30 O -","- C272 H240 O8 -","8","1","","de Orbe, M. Elena; Amenós, Laura; Kirillova, Mariia S.; Wang, Yahui; López-Carrillo, Verónica; Maseras, Feliu; Echavarren, Antonio M.","Cyclobutene vs 1,3-Diene Formation in the Gold-Catalyzed Reaction of Alkynes with Alkenes: The Complete Mechanistic Picture.","Journal of the American Chemical Society","2017","139","30","10302","10311","10.1021/jacs.7b03005","","","0.71073","MoKα","","0.0728","0.0488","","","0.1144","0.1285","","","","","","1.023","","","","has coordinates","241517","2020-10-21","18:00:00",""
"4131286","7.424","0.0008","32.859","0.004","7.7501","0.0009","90","","103.934","0.004","90","","1835","0.4","100","2","100","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C23 H19 N O2 -","- C23 H19 N O2 -","- C92 H76 N4 O8 -","4","2","","de Orbe, M. Elena; Amenós, Laura; Kirillova, Mariia S.; Wang, Yahui; López-Carrillo, Verónica; Maseras, Feliu; Echavarren, Antonio M.","Cyclobutene vs 1,3-Diene Formation in the Gold-Catalyzed Reaction of Alkynes with Alkenes: The Complete Mechanistic Picture.","Journal of the American Chemical Society","2017","139","30","10302","10311","10.1021/jacs.7b03005","","","0.71073","MoKα","","0.1548","0.1125","","","0.2623","0.2799","","","","","","1.543","","","","has coordinates,has disorder","241518","2020-10-21","18:00:00",""
"4131287","22.2327","0.0012","5.5071","0.0004","38.99","0.002","90","","91.34","0.002","90","","4772.5","0.5","100","2","100","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C33 H28 O -","- C33 H28 O -","- C264 H224 O8 -","8","2","","de Orbe, M. Elena; Amenós, Laura; Kirillova, Mariia S.; Wang, Yahui; López-Carrillo, Verónica; Maseras, Feliu; Echavarren, Antonio M.","Cyclobutene vs 1,3-Diene Formation in the Gold-Catalyzed Reaction of Alkynes with Alkenes: The Complete Mechanistic Picture.","Journal of the American Chemical Society","2017","139","30","10302","10311","10.1021/jacs.7b03005","","","0.71073","MoKα","","0.1011","0.0568","","","0.1127","0.1266","","","","","","1.054","","","","has coordinates","241519","2020-10-21","18:00:00",""
"4131288","15.0649","0.0008","9.9259","0.0006","16.1346","0.0008","90","","94.4899","0.0018","90","","2405.2","0.2","100","2","100","2","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","","","- C33 H28 O -","- C33 H28 O -","- C132 H112 O4 -","4","1","","de Orbe, M. Elena; Amenós, Laura; Kirillova, Mariia S.; Wang, Yahui; López-Carrillo, Verónica; Maseras, Feliu; Echavarren, Antonio M.","Cyclobutene vs 1,3-Diene Formation in the Gold-Catalyzed Reaction of Alkynes with Alkenes: The Complete Mechanistic Picture.","Journal of the American Chemical Society","2017","139","30","10302","10311","10.1021/jacs.7b03005","","","0.71073","MoKα","","0.0594","0.0435","","","0.1054","0.1152","","","","","","1.047","","","","has coordinates","241520","2020-10-21","18:00:00",""
"4131289","7.3559","0.0003","8.7429","0.0003","10.5801","0.0004","88.022","0.003","86.294","0.003","75.705","0.003","657.86","0.04","100","2","100","2","","","","","","","","3","P -1","-P 1","2","","","","- C16 H19 Br -","- C16 H19 Br -","- C32 H38 Br2 -","2","1","","de Orbe, M. Elena; Amenós, Laura; Kirillova, Mariia S.; Wang, Yahui; López-Carrillo, Verónica; Maseras, Feliu; Echavarren, Antonio M.","Cyclobutene vs 1,3-Diene Formation in the Gold-Catalyzed Reaction of Alkynes with Alkenes: The Complete Mechanistic Picture.","Journal of the American Chemical Society","2017","139","30","10302","10311","10.1021/jacs.7b03005","","","0.7107","MoKα","","0.0509","0.0436","","","0.1145","0.1176","","","","","","1.058","","","","has coordinates","241521","2020-10-21","18:00:00",""
"4131290","8.04752","0.00015","8.79412","0.00014","15.1588","0.0003","90","","97.0754","0.0017","90","","1064.63","0.03","113","2","113.15","","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C25 H23 I N2 O2 -","- C25 H23 I N2 O2 -","- C50 H46 I2 N4 O4 -","2","1","","Xu, Huan; Li, Yi-Pan; Cai, Yan; Wang, Guo-Peng; Zhu, Shou-Fei; Zhou, Qi-Lin","Highly Enantioselective Copper- and Iron-Catalyzed Intramolecular Cyclopropanation of Indoles.","Journal of the American Chemical Society","2017","139","23","7697","7700","10.1021/jacs.7b03086","","x-ray","0.71073","MoKα","","0.0359","0.0351","","","0.0904","0.0915","","","","","","1.056","","","","has coordinates","241522","2020-10-21","18:00:00",""
"4131291","10.2122","0.0008","10.304","0.001","10.7741","0.0012","70.18","0.012","62.36","0.01","86.86","0.015","937.7","0.2","113","2","113","2","","","","","","","","4","P 1","P 1","1","","","","- C22 H21 N O4 -","- C22 H21 N O4 -","- C44 H42 N2 O8 -","2","2","","Xu, Huan; Li, Yi-Pan; Cai, Yan; Wang, Guo-Peng; Zhu, Shou-Fei; Zhou, Qi-Lin","Highly Enantioselective Copper- and Iron-Catalyzed Intramolecular Cyclopropanation of Indoles.","Journal of the American Chemical Society","2017","139","23","7697","7700","10.1021/jacs.7b03086","","","1.54187","CuKα","","0.0612","0.0583","","","0.1276","0.1321","","","","","","1.147","","","","has coordinates","241523","2020-10-21","18:00:00",""
"4131292","8.3434","0.001","9.7391","0.0011","24.416","0.002","90","","90","","90","","1984","0.4","113","2","113","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C24 H19 N O4 S -","- C24 H19 N O4 S -","- C96 H76 N4 O16 S4 -","4","1","","Xu, Huan; Li, Yi-Pan; Cai, Yan; Wang, Guo-Peng; Zhu, Shou-Fei; Zhou, Qi-Lin","Highly Enantioselective Copper- and Iron-Catalyzed Intramolecular Cyclopropanation of Indoles.","Journal of the American Chemical Society","2017","139","23","7697","7700","10.1021/jacs.7b03086","","","0.71075","MoKα","","0.0384","0.0322","","","0.0746","0.0768","","","","","","1.034","","","","has coordinates","241524","2020-10-21","18:00:00",""
"4131293","10.286","0.003","10.706","0.002","11.1417","0.0004","66.363","0.018","64.94","0.02","88.2","0.03","1003.9","0.4","173","2","173","2","","","","","","","","4","P 1","P 1","1","","","","- C23 H23 N O4 -","- C23 H23 N O4 -","- C46 H46 N2 O8 -","2","2","","Xu, Huan; Li, Yi-Pan; Cai, Yan; Wang, Guo-Peng; Zhu, Shou-Fei; Zhou, Qi-Lin","Highly Enantioselective Copper- and Iron-Catalyzed Intramolecular Cyclopropanation of Indoles.","Journal of the American Chemical Society","2017","139","23","7697","7700","10.1021/jacs.7b03086","","","1.54187","CuKα","","0.0261","0.0247","","","0.0583","0.0611","","","","","","1.066","","","","has coordinates","241525","2020-10-21","18:00:00",""
"4131294","7.4908","0.001","16.573","0.0016","20.429","0.002","90","","90","","90","","2536.2","0.5","293","2","293","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C31 H25 N O5 S -","- C31 H25 N O5 S -","- C124 H100 N4 O20 S4 -","4","1","","Xu, Huan; Li, Yi-Pan; Cai, Yan; Wang, Guo-Peng; Zhu, Shou-Fei; Zhou, Qi-Lin","Highly Enantioselective Copper- and Iron-Catalyzed Intramolecular Cyclopropanation of Indoles.","Journal of the American Chemical Society","2017","139","23","7697","7700","10.1021/jacs.7b03086","","","1.54187","CuKα","","0.0412","0.0386","","","0.0886","0.0911","","","","","","1.067","","","","has coordinates","241526","2020-10-21","18:00:00",""
"4131295","7.3516","0.0002","13.8595","0.0003","14.8108","0.0003","90","","90","","90","","1509.07","0.06","113.15","","113.15","","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C18 H14 I N O2 -","- C18 H14 I N O2 -","- C72 H56 I4 N4 O8 -","4","1","","Xu, Huan; Li, Yi-Pan; Cai, Yan; Wang, Guo-Peng; Zhu, Shou-Fei; Zhou, Qi-Lin","Highly Enantioselective Copper- and Iron-Catalyzed Intramolecular Cyclopropanation of Indoles.","Journal of the American Chemical Society","2017","139","23","7697","7700","10.1021/jacs.7b03086","","x-ray","0.71073","MoKα","","0.0251","0.0245","","","0.0642","0.0661","","","","","","1.09","","","","has coordinates","241527","2020-10-21","18:00:00",""
"4131296","11.313","0.002","11.747","0.002","18.32","0.004","100.322","0.001","103.982","0.002","105.943","0.002","2191.5","0.7","143","2","143","2","","","","","","","","7","P -1","-P 1","2","","","","- C42 H59 Cl3 N O4 P Pd -","- C42 H59 Cl3 N O4 P Pd -","- C84 H118 Cl6 N2 O8 P2 Pd2 -","2","1","","Yadav, M. Ramu; Nagaoka, Masahiro; Kashihara, Myuto; Zhong, Rong-Lin; Miyazaki, Takanori; Sakaki, Shigeyoshi; Nakao, Yoshiaki","The Suzuki-Miyaura Coupling of Nitroarenes.","Journal of the American Chemical Society","2017","139","28","9423","9426","10.1021/jacs.7b03159","","","0.71075","MoKα","","0.0698","0.0553","","","0.1335","0.1459","","","","","","1.077","","","","has coordinates","241528","2020-10-21","18:00:00",""
"4131297","16.218","0.0008","20.5475","0.0009","24.1827","0.0009","90","","90","","90","","8058.6","0.6","143","2","143","2","","","","","","","","6","P b c a","-P 2ac 2ab","61","","","","- C45 H60 N O4 P Pd -","- C45 H60 N O4 P Pd -","- C360 H480 N8 O32 P8 Pd8 -","8","1","","Yadav, M. Ramu; Nagaoka, Masahiro; Kashihara, Myuto; Zhong, Rong-Lin; Miyazaki, Takanori; Sakaki, Shigeyoshi; Nakao, Yoshiaki","The Suzuki-Miyaura Coupling of Nitroarenes.","Journal of the American Chemical Society","2017","139","28","9423","9426","10.1021/jacs.7b03159","","","0.71075","MoKα","","0.0401","0.0348","","","0.0839","0.0876","","","","","","1.042","","","","has coordinates","241529","2020-10-21","18:00:00",""
"4131298","33.36","0.03","5.857","0.004","34.01","0.04","90","","90.95","0.012","90","","6644","11","123","2","123","2","","","","","","","","3","I 1 2 1","I 2y","5","","","","- C26.67 H30.67 O1.33 -","- C26.6667 H32 O1.33333 -","- C320 H384 O16 -","12","3","","Guo, Yi-An; Liang, Tao; Kim, Seung Wook; Xiao, Hongde; Krische, Michael J.","Nickel-Catalyzed Cross-Coupling of Vinyl Dioxanones to Form Enantiomerically Enriched Cyclopropanes.","Journal of the American Chemical Society","2017","139","20","6847","6850","10.1021/jacs.7b03371","","","0.71073","MoKα","","0.3306","0.1585","","","0.3806","0.4515","","","","","","1.021","","","","has coordinates","241530","2020-10-21","18:00:00",""
"4131299","39.33","0.003","7.9638","0.0006","10.8208","0.0008","90","","93.2487","0.0015","90","","3383.8","0.4","100","2","100","2","","","","","","","","5","C 1 2 1","C 2y","5","","","","- C36 H46 Hf O Si3 -","- C36 H46 Hf O Si3 -","- C144 H184 Hf4 O4 Si12 -","4","1","","Dong, Zhaowen; Reinhold, Crispin R. W.; Schmidtmann, Marc; Müller, Thomas","A Stable Silylene with a σ<sup>2</sup>, π- Butadiene Ligand.","Journal of the American Chemical Society","2017","139","20","7117","7123","10.1021/jacs.7b03566","","","0.71073","MoKα","","0.0274","0.0246","","","0.0505","0.0512","","","","","","1.095","","","","has coordinates,has disorder","241531","2020-10-21","18:00:00",""
"4131300","5.7924","0.0003","8.1095","0.0003","29.6243","0.0013","90","","90","","90","","1391.56","0.11","100","","100","","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C16 H18 O S -","- C16 H18 O S -","- C64 H72 O4 S4 -","4","1","","Jia, Tiezheng; Zhang, Mengnan; McCollom, Samuel P.; Bellomo, Ana; Montel, Sonia; Mao, Jianyou; Dreher, Spencer D.; Welch, Christopher J.; Regalado, Erik L.; Williamson, R. Thomas; Manor, Brian C.; Tomson, Neil C.; Walsh, Patrick J.","Palladium-Catalyzed Enantioselective Arylation of Aryl Sulfenate Anions: A Combined Experimental and Computational Study.","Journal of the American Chemical Society","2017","139","24","8337","8345","10.1021/jacs.7b03623","","","0.71075","MoKα","","0.0267","0.0264","","","0.0702","0.0704","","","","","","1.154","","","","has coordinates","288221","2023-12-11","22:20:44",""
"4131301","11.9018","0.0003","11.9018","0.0003","32.8715","0.0009","90","","90","","120","","4032.51","0.18","100","","100","","","","","","","","","6","P 63/m","-P 6c","176","","","","- C30 H90 I10 Na4 O15 S15 -","- C30 H90 I10 Na3.999 O15 S15 -","- C60 H180 I20 Na7.998 O30 S30 -","2","0.166667","","Plata, R. Erik; Hill, David E.; Haines, Brandon E.; Musaev, Djamaladdin G.; Chu, Ling; Hickey, David P.; Sigman, Matthew S.; Yu, Jin-Quan; Blackmond, Donna G.","A Role for Pd(IV) in Catalytic Enantioselective C-H Functionalization with Monoprotected Amino Acid Ligands under Mild Conditions.","Journal of the American Chemical Society","2017","139","27","9238","9245","10.1021/jacs.7b03716","","x-ray","0.71073","MoKα","","0.0561","0.0445","","","0.0813","0.0854","","","","","","1.229","","","","has coordinates,has disorder","241534","2020-10-21","18:00:00",""
"4131302","23.024","0.003","17.123","0.002","23.177","0.003","90","","110.793","0.002","90","","8542.2","1.9","296","2","296","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C51 H54 N4 O -","- C51 H54 N4 O -","- C408 H432 N32 O8 -","8","2","","Rajamalli, P.; Senthilkumar, N.; Huang, P.-Y.; Ren-Wu, C-C; Lin, H.-W.; Cheng, C.-H.","New Molecular Design Concurrently Providing Superior Pure Blue, Thermally Activated Delayed Fluorescence and Optical Out-Coupling Efficiencies.","Journal of the American Chemical Society","2017","139","32","10948","10951","10.1021/jacs.7b03848","","","0.71073","MoKα","","0.262","0.085","","","0.1844","0.2693","","","","","","0.938","","","","has coordinates","241535","2020-10-21","18:00:00",""
"4131303","34.9141","0.0003","10.9153","0.0001","18.6607","0.0001","90","","90","","90","","7111.55","0.1","100","2","100","2","","","","","","","","6","P n a 21","P 2c -2n","33","","","","- C54 H88 Cl2 Fe P2 Si8 -","- C54 H88 Cl2 Fe P2 Si8 -","- C216 H352 Cl8 Fe4 P8 Si32 -","4","1","","Adak, Laksmikanta; Kawamura, Shintaro; Toma, Gabriel; Takenaka, Toshio; Isozaki, Katsuhiro; Takaya, Hikaru; Orita, Akihiro; Li, Ho C.; Shing, Tony K. M.; Nakamura, Masaharu","Synthesis of Aryl C-Glycosides via Iron-Catalyzed Cross Coupling of Halosugars: Stereoselective Anomeric Arylation of Glycosyl Radicals.","Journal of the American Chemical Society","2017","139","31","10693","10701","10.1021/jacs.7b03867","","","0.7","Synchrotron","","0.0507","0.0447","","","0.1023","0.1082","","","","","","1.072","","","","has coordinates,has disorder","241536","2020-10-21","18:00:00",""
"4131304","11.833","0.0015","11.833","0.0015","24.665","0.004","90","","90","","90","","3453.6","0.8","113","","113","","","","","","","","","3","P 41 21 2","P 4abw 2nw","92","","","","- C17 H21 O7 -","- C17 H20 O7 -","- C136 H160 O56 -","8","1","","Adak, Laksmikanta; Kawamura, Shintaro; Toma, Gabriel; Takenaka, Toshio; Isozaki, Katsuhiro; Takaya, Hikaru; Orita, Akihiro; Li, Ho C.; Shing, Tony K. M.; Nakamura, Masaharu","Synthesis of Aryl C-Glycosides via Iron-Catalyzed Cross Coupling of Halosugars: Stereoselective Anomeric Arylation of Glycosyl Radicals.","Journal of the American Chemical Society","2017","139","31","10693","10701","10.1021/jacs.7b03867","","","0.7107","MoKα","","","0.0369","","","","0.1135","","","","","","1.105","","","","has coordinates","241537","2020-10-21","18:00:00",""
"4131305","7.8203","0.0017","11.336","0.003","19.356","0.004","90","","90","","90","","1715.9","0.7","173","2","173","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C17 H18 F O7 -","- C17 H19 F O7 -","- C68 H76 F4 O28 -","4","1","","Adak, Laksmikanta; Kawamura, Shintaro; Toma, Gabriel; Takenaka, Toshio; Isozaki, Katsuhiro; Takaya, Hikaru; Orita, Akihiro; Li, Ho C.; Shing, Tony K. M.; Nakamura, Masaharu","Synthesis of Aryl C-Glycosides via Iron-Catalyzed Cross Coupling of Halosugars: Stereoselective Anomeric Arylation of Glycosyl Radicals.","Journal of the American Chemical Society","2017","139","31","10693","10701","10.1021/jacs.7b03867","","","0.7107","MoKα","","0.0334","0.0327","","","0.0887","0.0896","","","","","","1.042","","","","has coordinates","241538","2020-10-21","18:00:00",""
"4131306","9.4057","0.0012","11.9467","0.0016","15.1002","0.0019","81.006","0.004","88.203","0.004","79.304","0.004","1646.8","0.4","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","","","- C43 H26 Cl2 N2 Pt -","- C43 H26 Cl2 N2 Pt -","- C86 H52 Cl4 N4 Pt2 -","2","1","","Schulte, Thorben R.; Holstein, Julian J.; Krause, Lennard; Michel, Reent; Stalke, Dietmar; Sakuda, Eri; Umakoshi, Keisuke; Longhi, Giovanna; Abbate, Sergio; Clever, Guido H.","Chiral-at-Metal Phosphorescent Square-Planar Pt(II)-Complexes from an Achiral Organometallic Ligand.","Journal of the American Chemical Society","2017","139","20","6863","6866","10.1021/jacs.7b03963","","","0.71073","MoKα","","0.03","0.0274","","","0.0667","0.0684","","","","","","1.047","","","","has coordinates","241539","2020-10-21","18:00:00",""
"4131307","17.492","0.003","9.249","0.002","18.881","0.002","90","","97.13","0.02","90","","3031","0.9","100","2","100","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C42 H24 N2 Pt -","- C42 H24 N2 Pt -","- C168 H96 N8 Pt4 -","4","1","","Schulte, Thorben R.; Holstein, Julian J.; Krause, Lennard; Michel, Reent; Stalke, Dietmar; Sakuda, Eri; Umakoshi, Keisuke; Longhi, Giovanna; Abbate, Sergio; Clever, Guido H.","Chiral-at-Metal Phosphorescent Square-Planar Pt(II)-Complexes from an Achiral Organometallic Ligand.","Journal of the American Chemical Society","2017","139","20","6863","6866","10.1021/jacs.7b03963","","","0.71073","MoKα","","0.0204","0.0176","","","0.043","0.0441","","","","","","1.054","","","","has coordinates","241540","2020-10-21","18:00:00",""
"4131308","7.566","0.002","20.775","0.003","17.105","0.002","90","","92.01","0.02","90","","2687","0.9","100","2","100","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C26 H23 Cl4 N Pt S -","- C26 H23 Cl4 N Pt S -","- C104 H92 Cl16 N4 Pt4 S4 -","4","1","","Schulte, Thorben R.; Holstein, Julian J.; Krause, Lennard; Michel, Reent; Stalke, Dietmar; Sakuda, Eri; Umakoshi, Keisuke; Longhi, Giovanna; Abbate, Sergio; Clever, Guido H.","Chiral-at-Metal Phosphorescent Square-Planar Pt(II)-Complexes from an Achiral Organometallic Ligand.","Journal of the American Chemical Society","2017","139","20","6863","6866","10.1021/jacs.7b03963","","","0.56086","AgKα","","0.03","0.0253","","","0.0474","0.0487","","","","","","1.186","","","","has coordinates,has disorder","241541","2020-10-21","18:00:00",""
"4131309","17.5938","0.0012","9.2189","0.0006","18.8427","0.0014","90","","96.984","0.003","90","","3033.5","0.4","100","2","100","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C42 H24 N2 Pt -","- C42 H24 N2 Pt -","- C168 H96 N8 Pt4 -","4","2","","Schulte, Thorben R.; Holstein, Julian J.; Krause, Lennard; Michel, Reent; Stalke, Dietmar; Sakuda, Eri; Umakoshi, Keisuke; Longhi, Giovanna; Abbate, Sergio; Clever, Guido H.","Chiral-at-Metal Phosphorescent Square-Planar Pt(II)-Complexes from an Achiral Organometallic Ligand.","Journal of the American Chemical Society","2017","139","20","6863","6866","10.1021/jacs.7b03963","","","0.71073","MoKα","","0.0564","0.0307","","","0.0445","0.0487","","","","","","1.035","","","","has coordinates","287939","2023-12-01","16:52:17",""
"4131310","6.0647","0.0003","20.1459","0.0009","25.5946","0.0012","90","","90","","90","","3127.1","0.3","123","","123","","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C19 H14 Au N -","- C19 H14 Au N -","- C152 H112 Au8 N8 -","8","2","","Jin, Mingoo; Seki, Tomohiro; Ito, Hajime","Mechano-Responsive Luminescence via Crystal-to-Crystal Phase Transitions between Chiral and Non-Chiral Space Groups.","Journal of the American Chemical Society","2017","139","22","7452","7455","10.1021/jacs.7b04073","","","0.71075","MoKα","","0.0681","0.0506","","","0.1162","0.1264","","","","","","1.085","","","","has coordinates","241543","2020-10-21","18:00:00",""
"4131311","6.0437","0.0006","20.048","0.002","25.411","0.002","90","","90","","90","","3078.9","0.5","123","","123","","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C19 H14 Au N -","- C19 H14 Au N -","- C152 H112 Au8 N8 -","8","2","","Jin, Mingoo; Seki, Tomohiro; Ito, Hajime","Mechano-Responsive Luminescence via Crystal-to-Crystal Phase Transitions between Chiral and Non-Chiral Space Groups.","Journal of the American Chemical Society","2017","139","22","7452","7455","10.1021/jacs.7b04073","","","0.71075","MoKα","","0.2463","0.0859","","","0.1509","0.2139","","","","","","0.839","","","","has coordinates","241543","2020-10-21","18:00:00",""
"4131312","9.9203","0.0007","13.1108","0.0007","13.241","0.0011","105.287","0.003","98.379","0.002","110.223","0.004","1504.51","0.19","123","","123","","","","","","","","","4","P -1","-P 1","2","","","","- C19 H14 Au N -","- C19 H14 Au N -","- C76 H56 Au4 N4 -","4","2","","Jin, Mingoo; Seki, Tomohiro; Ito, Hajime","Mechano-Responsive Luminescence via Crystal-to-Crystal Phase Transitions between Chiral and Non-Chiral Space Groups.","Journal of the American Chemical Society","2017","139","22","7452","7455","10.1021/jacs.7b04073","","","0.71075","MoKα","","0.1464","0.0743","","","0.1751","0.2566","","","","","","1.131","","","","has coordinates","241543","2020-10-21","18:00:00",""
"4131313","21.996","0.002","21.996","0.002","24.912","0.002","90","","90","","120","","10438.2","1.6","293","2","293","2","","","","","","","","5","P 63/m m c","-P 6c 2c","194","","","","- C104 H103 N O52.5 Y9 -","- C104 H54 N0.9996 O49.202 Y9 -","- C208.001 H108 N1.9992 O98.404 Y18 -","2","0.0833333","","AbdulHalim, Rasha G.; Bhatt, Prashant M.; Belmabkhout, Youssef; Shkurenko, Aleksander; Adil, Karim; Barbour, Leonard J.; Eddaoudi, Mohamed","A Fine-Tuned Metal-Organic Framework for Autonomous Indoor Moisture Control.","Journal of the American Chemical Society","2017","139","31","10715","10722","10.1021/jacs.7b04132","","","0.71073","MoKα","","0.125","0.0839","","","0.2453","0.2731","","","","","","1.06","","","","has coordinates,has disorder","241544","2020-10-21","18:00:00",""
"4131314","22.0149","0.0002","22.0149","0.0002","24.6746","0.0002","90","","90","","120","","10356.5","0.16","100","0.1","100","0.1","","","","","","","","5","P 63/m m c","-P 6c 2c","194","","","","- C108 H106 N3 O47 Y9 -","- C108 H78 N3 O47 Y9 -","- C216 H156 N6 O94 Y18 -","2","0.0833333","","AbdulHalim, Rasha G.; Bhatt, Prashant M.; Belmabkhout, Youssef; Shkurenko, Aleksander; Adil, Karim; Barbour, Leonard J.; Eddaoudi, Mohamed","A Fine-Tuned Metal-Organic Framework for Autonomous Indoor Moisture Control.","Journal of the American Chemical Society","2017","139","31","10715","10722","10.1021/jacs.7b04132","","","1.54184","CuKα","","0.0806","0.0765","","","0.2505","0.2561","","","","","","1.061","","","","has coordinates,has disorder","241545","2020-10-21","18:00:00",""
"4131315","22.1501","0.0005","22.1501","0.0005","24.4015","0.0007","90","","90","","120","","10368.1","0.4","293","2","293","2","","","","","","","","5","P 63/m m c","-P 6c 2c","194","","","","- C104 H86 N O44 Y9 -","- C104 H54 N0.9996 O44 Y9 -","- C208.001 H108 N1.9992 O88 Y18 -","2","0.0833333","","AbdulHalim, Rasha G.; Bhatt, Prashant M.; Belmabkhout, Youssef; Shkurenko, Aleksander; Adil, Karim; Barbour, Leonard J.; Eddaoudi, Mohamed","A Fine-Tuned Metal-Organic Framework for Autonomous Indoor Moisture Control.","Journal of the American Chemical Society","2017","139","31","10715","10722","10.1021/jacs.7b04132","","","1.54178","CuKα","","0.0629","0.0572","","","0.1696","0.1756","","","","","","1.038","","","","has coordinates,has disorder","241546","2020-10-21","18:00:00",""
"4131316","22.098","0.001","22.098","0.001","24.706","0.002","90","","90","","120","","10448.1","1.1","293","2","293","2","","","","","","","","5","P 63/m m c","-P 6c 2c","194","","","","- C104 H240 N O121 Y9 -","- C104 H54 N0.9996 O56.5007 Y9 -","- C208.001 H108 N1.9992 O113.001 Y18 -","2","0.0833333","","AbdulHalim, Rasha G.; Bhatt, Prashant M.; Belmabkhout, Youssef; Shkurenko, Aleksander; Adil, Karim; Barbour, Leonard J.; Eddaoudi, Mohamed","A Fine-Tuned Metal-Organic Framework for Autonomous Indoor Moisture Control.","Journal of the American Chemical Society","2017","139","31","10715","10722","10.1021/jacs.7b04132","","","0.71073","MoKα","","0.1399","0.0824","","","0.2357","0.2731","","","","","","1.024","","","","has coordinates,has disorder","241547","2020-10-21","18:00:00",""
"4131317","7.309","0.0005","15.1112","0.0011","21.9523","0.0016","90","","90.131","0.003","90","","2424.6","0.3","100","","100","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C25 H31 N O4 Si -","- C25 H31 N O4 Si -","- C100 H124 N4 O16 Si4 -","4","1","","Liu, Qi; Chen, Yu; Zhang, Xiao; Houk, K. N.; Liang, Yong; Smith, 3rd, Amos B","Type II Anion Relay Chemistry: Conformational Constraints To Achieve Effective [1,5]-Vinyl Brook Rearrangements.","Journal of the American Chemical Society","2017","139","25","8710","8717","10.1021/jacs.7b04149","","","0.71073","MoKα","","0.0316","0.0301","","","0.0797","0.081","","","","","","1.03","","","","has coordinates","241548","2020-10-21","18:00:00",""
"4131318","9.4816","0.0006","10.0759","0.0006","13.0176","0.0008","83.55","0.003","89.861","0.003","84.338","0.003","1229.7","0.13","100","","100","","","","","","","","","4","P -1","-P 1","2","","","","- C29 H29 N O4 -","- C29 H29 N O4 -","- C58 H58 N2 O8 -","2","1","","Liu, Qi; Chen, Yu; Zhang, Xiao; Houk, K. N.; Liang, Yong; Smith, 3rd, Amos B","Type II Anion Relay Chemistry: Conformational Constraints To Achieve Effective [1,5]-Vinyl Brook Rearrangements.","Journal of the American Chemical Society","2017","139","25","8710","8717","10.1021/jacs.7b04149","","","0.71073","MoKα","","0.0711","0.0581","","","0.1409","0.1474","","","","","","1.135","","","","has coordinates","241549","2020-10-21","18:00:00",""
"4131319","11.3312","0.0009","12.7706","0.001","15.9521","0.0012","81.835","0.005","79.96","0.005","69.591","0.005","2122.1","0.3","120","","120","","","","","","","","","6","P -1","-P 1","2","","","","- C45 H51 Cl N3 Nb P3 -","- C45 H51 Cl N3 Nb P3 -","- C90 H102 Cl2 N6 Nb2 P6 -","2","1","","Culcu, Gursu; Iovan, Diana A.; Krogman, Jeremy P.; Wilding, Matthew J. T.; Bezpalko, Mark W.; Foxman, Bruce M.; Thomas, Christine M.","Heterobimetallic Complexes Comprised of Nb and Fe: Isolation of a Coordinatively Unsaturated Nb<sup>III</sup>/Fe<sup>0</sup> Bimetallic Complex Featuring a Nb≡Fe Triple Bond.","Journal of the American Chemical Society","2017","139","28","9627","9636","10.1021/jacs.7b04151","","","0.71073","MoKα","","0.0633","0.0408","","0.0881","0.0824","0.0881","","","","","","0.9549","","","","has coordinates","241550","2020-10-21","18:00:00",""
"4131320","21.9571","0.001","18.7784","0.0009","25.3992","0.0011","90","","90","","90","","10472.6","0.8","120","","120","","","","","","","","","9","P b c a","-P 2ac 2ab","61","","","","- C53 H67 Br Cl Fe N3 Nb O2 P3 -","- C53 H67 Br Cl Fe N3 Nb O2 P3 -","- C424 H536 Br8 Cl8 Fe8 N24 Nb8 O16 P24 -","8","1","","Culcu, Gursu; Iovan, Diana A.; Krogman, Jeremy P.; Wilding, Matthew J. T.; Bezpalko, Mark W.; Foxman, Bruce M.; Thomas, Christine M.","Heterobimetallic Complexes Comprised of Nb and Fe: Isolation of a Coordinatively Unsaturated Nb<sup>III</sup>/Fe<sup>0</sup> Bimetallic Complex Featuring a Nb≡Fe Triple Bond.","Journal of the American Chemical Society","2017","139","28","9627","9636","10.1021/jacs.7b04151","","","0.71073","MoKα","","0.0675","0.0392","","0.1045","0.0829","0.1045","","","","","","1.0211","","","","has coordinates,has disorder","241550","2020-10-21","18:00:00",""
"4131321","11.0896","0.0007","20.9802","0.0013","11.1696","0.0007","90","","110.611","0.003","90","","2432.4","0.3","120","","120","","","","","","","","","9","P 1 21 1","P 2yb","4","","","","- C47 H53 Cl3 F3 N3 Nb O3 P3 S -","- C47 H53 Cl3 F3 N3 Nb O3 P3 S -","- C94 H106 Cl6 F6 N6 Nb2 O6 P6 S2 -","2","1","","Culcu, Gursu; Iovan, Diana A.; Krogman, Jeremy P.; Wilding, Matthew J. T.; Bezpalko, Mark W.; Foxman, Bruce M.; Thomas, Christine M.","Heterobimetallic Complexes Comprised of Nb and Fe: Isolation of a Coordinatively Unsaturated Nb<sup>III</sup>/Fe<sup>0</sup> Bimetallic Complex Featuring a Nb≡Fe Triple Bond.","Journal of the American Chemical Society","2017","139","28","9627","9636","10.1021/jacs.7b04151","","","0.71073","MoKα","","0.0632","0.06","","0.1597","0.1541","0.1597","","","","","","1.0015","","","","has coordinates,has disorder","241550","2020-10-21","18:00:00",""
"4131322","21.1756","0.0007","21.1756","0.0007","21.1756","0.0007","90","","90","","90","","9495.3","0.5","120","","120","","","","","","","","","6","P a -3","-P 2ac 2ab 3","205","","","","- C48 H60 Fe N3 Nb P4 -","- C48 H60 Fe N3 Nb P4 -","- C384 H480 Fe8 N24 Nb8 P32 -","8","0.333333","","Culcu, Gursu; Iovan, Diana A.; Krogman, Jeremy P.; Wilding, Matthew J. T.; Bezpalko, Mark W.; Foxman, Bruce M.; Thomas, Christine M.","Heterobimetallic Complexes Comprised of Nb and Fe: Isolation of a Coordinatively Unsaturated Nb<sup>III</sup>/Fe<sup>0</sup> Bimetallic Complex Featuring a Nb≡Fe Triple Bond.","Journal of the American Chemical Society","2017","139","28","9627","9636","10.1021/jacs.7b04151","","","0.71073","MoKα","","0.0608","0.0337","","0.0662","0.0578","0.0662","","","","","","1.0091","","","","has coordinates","241550","2020-10-21","18:00:00",""
"4131323","11.4934","0.001","11.9662","0.0011","18.4394","0.0017","89.741","0.005","86.923","0.004","62.315","0.004","2241.8","0.4","120","","120","","","","","","","","","5","P -1","-P 1","2","","","","- C48 H58 N4 Nb P3 -","- C48 H58 N4 Nb P3 -","- C96 H116 N8 Nb2 P6 -","2","1","","Culcu, Gursu; Iovan, Diana A.; Krogman, Jeremy P.; Wilding, Matthew J. T.; Bezpalko, Mark W.; Foxman, Bruce M.; Thomas, Christine M.","Heterobimetallic Complexes Comprised of Nb and Fe: Isolation of a Coordinatively Unsaturated Nb<sup>III</sup>/Fe<sup>0</sup> Bimetallic Complex Featuring a Nb≡Fe Triple Bond.","Journal of the American Chemical Society","2017","139","28","9627","9636","10.1021/jacs.7b04151","","","0.71073","MoKα","","0.0377","0.0282","","0.0709","0.0649","0.0709","","","","","","0.9798","","","","has coordinates","241550","2020-10-21","18:00:00",""
"4131324","11.6894","0.0005","18.0344","0.0008","22.1156","0.001","90","","92.853","0.002","90","","4656.4","0.4","120","","120","","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C48 H58 Br Fe N4 Nb P3 -","- C48 H58 Br Fe N4 Nb P3 -","- C192 H232 Br4 Fe4 N16 Nb4 P12 -","4","1","","Culcu, Gursu; Iovan, Diana A.; Krogman, Jeremy P.; Wilding, Matthew J. T.; Bezpalko, Mark W.; Foxman, Bruce M.; Thomas, Christine M.","Heterobimetallic Complexes Comprised of Nb and Fe: Isolation of a Coordinatively Unsaturated Nb<sup>III</sup>/Fe<sup>0</sup> Bimetallic Complex Featuring a Nb≡Fe Triple Bond.","Journal of the American Chemical Society","2017","139","28","9627","9636","10.1021/jacs.7b04151","","","0.71073","MoKα","","0.0313","0.0246","","0.0619","0.0584","0.0619","","","","","","0.9855","","","","has coordinates","241550","2020-10-21","18:00:00",""
"4131325","18.6191","0.0009","13.1806","0.0006","42.711","0.002","90","","90.867","0.002","90","","10480.5","0.9","120","","120","","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C53.5 H73 Fe N4 Nb P4 -","- C53.5 H73 Fe N4 Nb P4 -","- C428 H584 Fe8 N32 Nb8 P32 -","8","2","","Culcu, Gursu; Iovan, Diana A.; Krogman, Jeremy P.; Wilding, Matthew J. T.; Bezpalko, Mark W.; Foxman, Bruce M.; Thomas, Christine M.","Heterobimetallic Complexes Comprised of Nb and Fe: Isolation of a Coordinatively Unsaturated Nb<sup>III</sup>/Fe<sup>0</sup> Bimetallic Complex Featuring a Nb≡Fe Triple Bond.","Journal of the American Chemical Society","2017","139","28","9627","9636","10.1021/jacs.7b04151","","","0.71073","MoKα","","0.0804","0.0396","","0.1086","0.0875","0.1086","","","","","","0.983","","","","has coordinates,has disorder","241550","2020-10-21","18:00:00",""
"4131326","12.551","0.002","14.785","0.002","19.348","0.003","90","","90.638","0.008","90","","3590.1","0.9","100","2","100","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","tes009","tes009","","- C38 H33 Cl2 I2 O P2 Rh -","- C38 H33 Cl2 I2 O P2 Rh -","- C152 H132 Cl8 I8 O4 P8 Rh4 -","4","1","","Stevens, Tyler E.; Smoll, Karena A.; Goldberg, Karen I.","Direct Formation of Carbon(sp<sup>3</sup>)-Heteroatom Bonds from Rh<sup>III</sup> To Produce Methyl Iodide, Thioethers, and Alkylamines.","Journal of the American Chemical Society","2017","139","23","7725","7728","10.1021/jacs.7b04169","","","0.71073","MoKα","","0.0337","0.026","","","0.0631","0.0672","","","","","","1.034","","","","has coordinates,has disorder","241551","2020-10-21","18:00:00",""
"4131327","12.6322","0.001","14.7078","0.0014","19.7418","0.0018","90","","94.445","0.004","90","","3656.8","0.6","100","2","100","2","","","","","","","","7","C 1 2/c 1","-C 2yc","15","tes_017","tes_017","","- C43 H35 Br I O P2 Rh -","- C43 H35 Br I O P2 Rh -","- C172 H140 Br4 I4 O4 P8 Rh4 -","4","0.5","","Stevens, Tyler E.; Smoll, Karena A.; Goldberg, Karen I.","Direct Formation of Carbon(sp<sup>3</sup>)-Heteroatom Bonds from Rh<sup>III</sup> To Produce Methyl Iodide, Thioethers, and Alkylamines.","Journal of the American Chemical Society","2017","139","23","7725","7728","10.1021/jacs.7b04169","","","0.71073","MoKα","","0.0485","0.0287","","","0.0547","0.0605","","","","","","1.02","","","","has coordinates","241551","2020-10-21","18:00:00",""
"4131328","13.8558","0.0008","16.7013","0.0009","15.9056","0.0009","90","","98.532","0.003","90","","3640","0.4","120","2","120","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","tes_018","tes_018","","- C42 H37 I O3 P2 Rh -","- C42 H37 I O3 P2 Rh -","- C168 H148 I4 O12 P8 Rh4 -","4","1","","Stevens, Tyler E.; Smoll, Karena A.; Goldberg, Karen I.","Direct Formation of Carbon(sp<sup>3</sup>)-Heteroatom Bonds from Rh<sup>III</sup> To Produce Methyl Iodide, Thioethers, and Alkylamines.","Journal of the American Chemical Society","2017","139","23","7725","7728","10.1021/jacs.7b04169","","","0.71073","MoKα","","0.0446","0.0408","","","0.1124","0.1149","","","","","","1.082","","","","has coordinates","241551","2020-10-21","18:00:00",""
"4131329","14.565","0.0004","7.6815","0.0002","15.6786","0.0004","90","","106.182","0.001","90","","1684.64","0.08","100","2","100","","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C18 H29 N O4 -","- C18 H29 N O4 -","- C72 H116 N4 O16 -","4","1","","Ohtawa, Masaki; Krambis, Michael J.; Cerne, Rok; Schkeryantz, Jeffrey M.; Witkin, Jeffrey M.; Shenvi, Ryan A.","Synthesis of (-)-11-O-Debenzoyltashironin: Neurotrophic Sesquiterpenes Cause Hyperexcitation.","Journal of the American Chemical Society","2017","139","28","9637","9644","10.1021/jacs.7b04206","","","1.54178","CuKα","","0.0383","0.0363","","","0.0915","0.093","","","","","","1.053","","","","has coordinates","241552","2020-10-21","18:00:00",""
"4131330","6.8534","0.0005","7.5227","0.0005","14.8874","0.0011","82.243","0.002","87.87","0.002","64.183","0.001","684.4","0.08","100","","100","","","","","","","","","3","P -1","-P 1","2","","","","- C15 H22 O4 -","- C15 H22 O4 -","- C30 H44 O8 -","2","1","","Ohtawa, Masaki; Krambis, Michael J.; Cerne, Rok; Schkeryantz, Jeffrey M.; Witkin, Jeffrey M.; Shenvi, Ryan A.","Synthesis of (-)-11-O-Debenzoyltashironin: Neurotrophic Sesquiterpenes Cause Hyperexcitation.","Journal of the American Chemical Society","2017","139","28","9637","9644","10.1021/jacs.7b04206","","x-ray","0.71073","MoKα","","0.0476","0.0398","","","0.0993","0.1049","","","","","","1.038","","","","has coordinates","241553","2020-10-21","18:00:00",""
"4131331","9.3686","0.0002","10.5348","0.0002","13.5886","0.0003","90","","90","","90","","1341.14","0.05","100","","100","","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C15 H22 O5 -","- C15 H22 O5 -","- C60 H88 O20 -","4","1","","Ohtawa, Masaki; Krambis, Michael J.; Cerne, Rok; Schkeryantz, Jeffrey M.; Witkin, Jeffrey M.; Shenvi, Ryan A.","Synthesis of (-)-11-O-Debenzoyltashironin: Neurotrophic Sesquiterpenes Cause Hyperexcitation.","Journal of the American Chemical Society","2017","139","28","9637","9644","10.1021/jacs.7b04206","","x-ray","1.54178","CuKα","","0.0296","0.0291","","","0.075","0.0754","","","","","","1.065","","","","has coordinates","241554","2020-10-21","18:00:00",""
"4131332","10.0498","0.0015","11.7372","0.0017","10.964","0.0016","90","","99.133","0.004","90","","1276.9","0.3","100","","100","","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C15 H20 O3 -","- C15 H20 O3 -","- C60 H80 O12 -","4","1","","Ohtawa, Masaki; Krambis, Michael J.; Cerne, Rok; Schkeryantz, Jeffrey M.; Witkin, Jeffrey M.; Shenvi, Ryan A.","Synthesis of (-)-11-O-Debenzoyltashironin: Neurotrophic Sesquiterpenes Cause Hyperexcitation.","Journal of the American Chemical Society","2017","139","28","9637","9644","10.1021/jacs.7b04206","","x-ray","1.54178","CuKα","K-L~3~","0.0405","0.0396","","","0.0994","0.1001","","","","","","1.09","","","","has coordinates","241555","2020-10-21","18:00:00",""
"4131333","7.1807","0.0005","12.0511","0.0009","16.0115","0.0013","90","","101.718","0.002","90","","1356.68","0.18","100","","100","","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C15 H22 O4 -","- C15 H22 O4 -","- C60 H88 O16 -","4","1","","Ohtawa, Masaki; Krambis, Michael J.; Cerne, Rok; Schkeryantz, Jeffrey M.; Witkin, Jeffrey M.; Shenvi, Ryan A.","Synthesis of (-)-11-O-Debenzoyltashironin: Neurotrophic Sesquiterpenes Cause Hyperexcitation.","Journal of the American Chemical Society","2017","139","28","9637","9644","10.1021/jacs.7b04206","","x-ray","0.71073","MoKα","","0.0644","0.0396","","","0.0831","0.0944","","","","","","1.057","","","","has coordinates","241556","2020-10-21","18:00:00",""
"4131334","7.8097","0.0003","9.8942","0.0004","11.084","0.0004","114.01","0.001","92.225","0.001","94.556","0.001","777.51","0.05","100","2","100","","","","","","","","","4","P -1","-P 1","2","","","","- C17 H27 N O3 -","- C17 H27 N O3 -","- C34 H54 N2 O6 -","2","1","","Ohtawa, Masaki; Krambis, Michael J.; Cerne, Rok; Schkeryantz, Jeffrey M.; Witkin, Jeffrey M.; Shenvi, Ryan A.","Synthesis of (-)-11-O-Debenzoyltashironin: Neurotrophic Sesquiterpenes Cause Hyperexcitation.","Journal of the American Chemical Society","2017","139","28","9637","9644","10.1021/jacs.7b04206","","x-ray","0.71073","MoKα","","0.0401","0.0369","","","0.0956","0.0986","","","","","","1.061","","","","has coordinates","241557","2020-10-21","18:00:00",""
"4131335","8.3454","0.0003","25.5444","0.0008","7.8491","0.0002","90","","102.146","0.001","90","","1635.8","0.09","100","","100","","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C17 H24 O6 -","- C17 H24 O6 -","- C68 H96 O24 -","4","1","","Ohtawa, Masaki; Krambis, Michael J.; Cerne, Rok; Schkeryantz, Jeffrey M.; Witkin, Jeffrey M.; Shenvi, Ryan A.","Synthesis of (-)-11-O-Debenzoyltashironin: Neurotrophic Sesquiterpenes Cause Hyperexcitation.","Journal of the American Chemical Society","2017","139","28","9637","9644","10.1021/jacs.7b04206","","","1.54178","CuKα","","0.0478","0.0475","","","0.1315","0.1317","","","","","","1.271","","","","has coordinates","241558","2020-10-21","18:00:00",""
"4131336","15.2797","0.0011","21.3748","0.0015","21.7718","0.0015","74.223","0.01","77.054","0.01","79.381","0.011","6610.9","0.9","100","2","100","2","","","","","","","","6","P -1","-P 1","2","","","","- C54 H45 F12 Fe N9 P2 -","- C54 H45 F12 Fe N9 P2 -","- C216 H180 F48 Fe4 N36 P8 -","4","2","","Elool Dov, Neta; Shankar, Sreejith; Cohen, Dana; Bendikov, Tatyana; Rechav, Katya; Shimon, Linda J. W.; Lahav, Michal; van der Boom, Milko E.","Electrochromic Metallo-Organic Nanoscale Films: Fabrication, Color Range, and Devices.","Journal of the American Chemical Society","2017","139","33","11471","11481","10.1021/jacs.7b04217","","","0.71073","MoKα","","0.1296","0.0776","","","0.1985","0.2301","","","","","","0.937","","","","has coordinates,has disorder","241559","2020-10-21","18:00:00",""
"4131337","14.5702","0.001","6.0644","0.0009","10.9344","0.001","90","","90","","90","","966.16","0.18","293","2","293","2","","","","","","","","4","P 21 21 2","P 2 2ab","18","","","","- C24 H20 N2 O3 -","- C24 H20 N2 O3 -","- C48 H40 N4 O6 -","2","0.5","","Chen, Dongping; Xu, Guangqing; Zhou, Qinghai; Chung, Lung Wa; Tang, Wenjun","Practical and Asymmetric Reductive Coupling of Isoquinolines Templated by Chiral Diborons.","Journal of the American Chemical Society","2017","139","29","9767","9770","10.1021/jacs.7b04256","","","1.54178","CuKα","","0.0392","0.0385","","","0.1121","0.1125","","","","","","1.099","","","","has coordinates","241560","2020-10-21","18:00:00",""
"4131338","12.7229","0.0008","12.7229","0.0008","14.6505","0.0013","90","","90","","90","","2371.5","0.3","293","2","293","2","","","","","","","","4","P 43 21 2","P 4nw 2abw","96","","","","- C28 H24 B2 O4 -","- C28 H24 B2 O4 -","- C112 H96 B8 O16 -","4","0.5","","Chen, Dongping; Xu, Guangqing; Zhou, Qinghai; Chung, Lung Wa; Tang, Wenjun","Practical and Asymmetric Reductive Coupling of Isoquinolines Templated by Chiral Diborons.","Journal of the American Chemical Society","2017","139","29","9767","9770","10.1021/jacs.7b04256","","","0.71073","MoKα","","0.0645","0.0522","","","0.112","0.1176","","","","","","1.1","","","","has coordinates","241561","2020-10-21","18:00:00",""
"4131339","15.1085","0.0007","10.0011","0.0005","19.4655","0.0009","90","","103.708","0.002","90","","2857.5","0.2","173","2","173","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C30 H38 B2 N2 O4 -","- C30 H38 B2 N2 O4 -","- C120 H152 B8 N8 O16 -","4","1","","Chen, Dongping; Xu, Guangqing; Zhou, Qinghai; Chung, Lung Wa; Tang, Wenjun","Practical and Asymmetric Reductive Coupling of Isoquinolines Templated by Chiral Diborons.","Journal of the American Chemical Society","2017","139","29","9767","9770","10.1021/jacs.7b04256","","","1.54178","CuKα","","0.0596","0.0552","","","0.1593","0.1645","","","","","","1.02","","","","has coordinates","241562","2020-10-21","18:00:00",""
"4131340","6.2276","0.0006","10.0974","0.0009","33.032","0.003","90","","90","","90","","2077.1","0.3","110","2","110","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","hxqG7","","","- C24 H23 Br N2 O -","- C24 H23 Br N2 O -","- C96 H92 Br4 N8 O4 -","4","1","","Huang, Xiaoqiang; Quinn, Taylor R.; Harms, Klaus; Webster, Richard D.; Zhang, Lilu; Wiest, Olaf; Meggers, Eric","Direct Visible-Light-Excited Asymmetric Lewis Acid Catalysis of Intermolecular [2+2] Photocycloadditions.","Journal of the American Chemical Society","2017","139","27","9120","9123","10.1021/jacs.7b04363","","","0.71073","MoKα","","0.0433","0.0397","","","0.096","0.0975","","","","","","1.048","","","","has coordinates,has disorder","241563","2020-10-21","18:00:00",""
"4131341","22.0286","0.0009","13.8772","0.0006","15.944","0.0007","90","","90","","90","","4874","0.4","110","2","110","2","","","","","","","","5","P 21 21 2","P 2 2ab","18","","","","- C25 H28 N2 O2 S -","- C25 H28 N2 O2 S -","- C200 H224 N16 O16 S8 -","8","2","","Huang, Xiaoqiang; Quinn, Taylor R.; Harms, Klaus; Webster, Richard D.; Zhang, Lilu; Wiest, Olaf; Meggers, Eric","Direct Visible-Light-Excited Asymmetric Lewis Acid Catalysis of Intermolecular [2+2] Photocycloadditions.","Journal of the American Chemical Society","2017","139","27","9120","9123","10.1021/jacs.7b04363","","","0.71073","MoKα","","0.0677","0.0466","","","0.0964","0.104","","","","","","1.016","","","","has coordinates,has disorder","241564","2020-10-21","18:00:00",""
"4131342","25.1184","0.0018","15.5983","0.0011","19.6259","0.0013","90","","95.15","0.002","90","","7658.5","0.9","173","2","173","2","","","","","","","","7","C 1 2/m 1","-C 2y","12","Lu2@D2d-C84 Ni(OEP)","Lu2@D2d-C84 Ni(OEP)","","- C122 H45 Cl6 Lu2 N4 Ni S0 -","- C122 H45 Cl6 Lu1.9998 N4 Ni -","- C488 H180 Cl24 Lu7.9992 N16 Ni4 -","4","0.5","","Shen, Wangqiang; Bao, Lipiao; Wu, Yongbo; Pan, Changwang; Zhao, Shasha; Fang, Hongyun; Xie, Yunpeng; Jin, Peng; Peng, Ping; Li, Fang-Fang; Lu, Xing","Lu<sub>2</sub>@C<sub>2n</sub> (2n = 82, 84, 86): Crystallographic Evidence of Direct Lu-Lu Bonding between Two Divalent Lutetium Ions Inside Fullerene Cages.","Journal of the American Chemical Society","2017","139","29","9979","9984","10.1021/jacs.7b04421","","","0.71073","MoKα","","0.1211","0.1118","","","0.3046","0.3166","","","","","","1.034","","","","has coordinates,has disorder","241565","2020-10-21","18:00:00",""
"4131343","25.2648","0.0012","15.5167","0.0007","19.4962","0.0009","90","","94.4003","0.0013","90","","7620.5","0.6","173","2","173","2","","","","","","","","7","C 1 2/m 1","-C 2y","12","Lu2@C3v-C82 Ni(OEP)","Lu2@C3v-C82 Ni(OEP)","","- C120 H44.83 Cl2.5 Lu2 N4 Ni S2.33 -","- C120 H44.8342 Cl2.5026 Lu1.9999 N4 Ni S2.3316 -","- C480 H179.337 Cl10.0104 Lu7.9996 N16 Ni4 S9.3264 -","4","0.5","","Shen, Wangqiang; Bao, Lipiao; Wu, Yongbo; Pan, Changwang; Zhao, Shasha; Fang, Hongyun; Xie, Yunpeng; Jin, Peng; Peng, Ping; Li, Fang-Fang; Lu, Xing","Lu<sub>2</sub>@C<sub>2n</sub> (2n = 82, 84, 86): Crystallographic Evidence of Direct Lu-Lu Bonding between Two Divalent Lutetium Ions Inside Fullerene Cages.","Journal of the American Chemical Society","2017","139","29","9979","9984","10.1021/jacs.7b04421","","","0.71073","MoKα","","0.1419","0.1125","","","0.3448","0.3742","","","","","","1.545","","","","has coordinates,has disorder","241566","2020-10-21","18:00:00",""
"4131344","19.948","0.005","15.035","0.005","25.348","0.005","90","0.005","94.356","0.005","90","0.005","7580","3","173","2","173","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","Lu2@Cs-C82 Ni(OEP)","Lu2@Cs-C82 Ni(OEP)","","- C130 H56 Lu2 N4 Ni S0 -","- C130 H56 Lu2 N4 Ni -","- C520 H224 Lu8 N16 Ni4 -","4","1","","Shen, Wangqiang; Bao, Lipiao; Wu, Yongbo; Pan, Changwang; Zhao, Shasha; Fang, Hongyun; Xie, Yunpeng; Jin, Peng; Peng, Ping; Li, Fang-Fang; Lu, Xing","Lu<sub>2</sub>@C<sub>2n</sub> (2n = 82, 84, 86): Crystallographic Evidence of Direct Lu-Lu Bonding between Two Divalent Lutetium Ions Inside Fullerene Cages.","Journal of the American Chemical Society","2017","139","29","9979","9984","10.1021/jacs.7b04421","","","0.71069","MoKα","","0.1389","0.1194","","","0.2426","0.2533","","","","","","1.116","","","","has coordinates,has disorder","241567","2020-10-21","18:00:00",""
"4131345","25.481","0.005","15.143","0.005","20.168","0.005","90","0.005","96.708","0.005","90","0.005","7729","4","173","2","173","2","","","","","","","","7","C 1 2/m 1","-C 2y","12","Lu2@C2v-C86 Ni(OEP)","Lu2@C2v-C86 Ni(OEP)","","- C124 H46 Cl6 Lu2 N4 Ni S0 -","- C124 H46 Cl6 Lu2 N4 Ni -","- C496 H184 Cl24 Lu8 N16 Ni4 -","4","0.5","","Shen, Wangqiang; Bao, Lipiao; Wu, Yongbo; Pan, Changwang; Zhao, Shasha; Fang, Hongyun; Xie, Yunpeng; Jin, Peng; Peng, Ping; Li, Fang-Fang; Lu, Xing","Lu<sub>2</sub>@C<sub>2n</sub> (2n = 82, 84, 86): Crystallographic Evidence of Direct Lu-Lu Bonding between Two Divalent Lutetium Ions Inside Fullerene Cages.","Journal of the American Chemical Society","2017","139","29","9979","9984","10.1021/jacs.7b04421","","","0.71069","MoKα","","0.1567","0.1121","","","0.2776","0.3166","","","","","","1.373","","","","has coordinates,has disorder","241568","2020-10-21","18:00:00",""
"4131346","21.4943","0.0002","30.5259","0.0003","21.5548","0.0003","90","","90.862","0.001","90","","14141.2","0.3","149.4","0.9","149.4","0.9","","","","","","","","8","P 1 21/n 1","-P 2yn","14","","","","- C286 H206 Au19 Cl2 Cu30 N2 O12 P6 -","- C286 H200 Au19 Cl2 Cu30 N2 O10 P6 -","- C572 H400 Au38 Cl4 Cu60 N4 O20 P12 -","2","0.5","","Wan, Xian-Kai; Cheng, Xiao-Ling; Tang, Qing; Han, Ying-Zi; Hu, Guoxiang; Jiang, De-En; Wang, Quan-Ming","Atomically Precise Bimetallic Au<sub>19</sub>Cu<sub>30</sub> Nanocluster with an Icosidodecahedral Cu<sub>30</sub> Shell and an Alkynyl-Cu Interface.","Journal of the American Chemical Society","2017","139","28","9451","9454","10.1021/jacs.7b04622","","","1.54178","CuKα","","0.0633","0.0507","","","0.144","0.154","","","","","","1.099","","","","has coordinates,has disorder","241569","2020-10-21","18:00:00",""
"4131347","20.9011","0.0003","30.0147","0.0005","21.3713","0.0004","90","","91.906","0.002","90","","13399.7","0.4","100","2","100","2","","","","","","","","9","P 1 21/n 1","-P 2yn","14","","","","- C240 H172 Au19 Cl2 Cu30 N3 O17 P6 S22 -","- C240 H156 Au19 Cl2 Cu30 N2 O14 P6 S22 -","- C480 H312 Au38 Cl4 Cu60 N4 O28 P12 S44 -","2","0.5","","Wan, Xian-Kai; Cheng, Xiao-Ling; Tang, Qing; Han, Ying-Zi; Hu, Guoxiang; Jiang, De-En; Wang, Quan-Ming","Atomically Precise Bimetallic Au<sub>19</sub>Cu<sub>30</sub> Nanocluster with an Icosidodecahedral Cu<sub>30</sub> Shell and an Alkynyl-Cu Interface.","Journal of the American Chemical Society","2017","139","28","9451","9454","10.1021/jacs.7b04622","","","1.54178","CuKα","","0.0854","0.058","","","0.1486","0.1754","","","","","","1.074","","","","has coordinates","241570","2020-10-21","18:00:00",""
"4131348","9.3812","0.0002","12.873","0.0002","29.8093","0.0007","90","","90","","90","","3599.9","0.13","140","0.1","140","0.1","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C36 H51 I O4 Si -","- C36 H51 I O4 Si -","- C144 H204 I4 O16 Si4 -","4","1","","Hari, Durga Prasad; Waser, Jerome","Enantioselective Copper-Catalyzed Oxy-Alkynylation of Diazo Compounds.","Journal of the American Chemical Society","2017","139","25","8420","8423","10.1021/jacs.7b04756","","x-ray","1.54184","CuKα","","0.0494","0.0491","","","0.1364","0.1368","","","","","","1.073","","","","has coordinates,has disorder","241571","2020-10-21","18:00:00",""
"4131349","11.0587","0.0006","25.898","0.0013","13.77","0.0008","90","","105.743","0.001","90","","3795.8","0.4","200","2","200","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C41 H58 Al N5 -","- C41 H58 Al N5 -","- C164 H232 Al4 N20 -","4","1","","Chu, Terry; Vyboishchikov, Sergei F.; Gabidullin, Bulat M.; Nikonov, Georgii I.","Oxidative Cleavage of the C═N Bond on Al(I).","Journal of the American Chemical Society","2017","139","26","8804","8807","10.1021/jacs.7b04841","","","0.71073","MoKα","","0.0666","0.0439","","","0.106","0.1181","","","","","","1.025","","","","has coordinates","241572","2020-10-21","18:00:00",""
"4131350","14.3245","0.0012","13.9107","0.0011","16.7445","0.0014","90","","104.782","0.001","90","","3226.1","0.5","299","2","299","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C40 H37 N5 Pt -","- C40 H37 N5 Pt -","- C160 H148 N20 Pt4 -","4","0.5","","Chan, Alan Kwun-Wa; Ng, Maggie; Wong, Yi-Chun; Chan, Mei-Yee; Wong, Wing-Tak; Yam, Vivian Wing-Wah","Synthesis and Characterization of Luminescent Cyclometalated Platinum(II) Complexes with Tunable Emissive Colors and Studies of Their Application in Organic Memories and Organic Light-Emitting Devices.","Journal of the American Chemical Society","2017","139","31","10750","10761","10.1021/jacs.7b04952","","","0.71073","MoKα","","0.0176","0.0164","","","0.0397","0.0403","","","","","","1.052","","","","has coordinates","241573","2020-10-21","18:00:00",""
"4131351","8.5414","0.0004","27.3619","0.0014","13.5613","0.0007","90","","90.133","0.002","90","","3169.4","0.3","100","2","100","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","SL1672-B","","","- C18 H30 O3 -","- C18 H30 O3 -","- C144 H240 O24 -","8","2","","Liu, Shu-An; Trauner, Dirk","Asymmetric Synthesis of the Antiviral Diterpene Wickerol A.","Journal of the American Chemical Society","2017","139","28","9491","9494","10.1021/jacs.7b05046","","","0.71073","MoKα","","0.0977","0.0689","","","0.1306","0.1419","","","","","","1.083","","","","has coordinates","241574","2020-10-21","18:00:00",""
"4131352","8.8933","0.0003","9.3676","0.0004","11.1619","0.0005","95.392","0.002","104.214","0.001","90.329","0.001","897.03","0.06","100","2","100","2","","","","","","","","3","P -1","-P 1","2","SL1869-B","","","- C21 H33 O2 -","- C21 H33 O2 -","- C42 H66 O4 -","2","1","","Liu, Shu-An; Trauner, Dirk","Asymmetric Synthesis of the Antiviral Diterpene Wickerol A.","Journal of the American Chemical Society","2017","139","28","9491","9494","10.1021/jacs.7b05046","","","0.71073","MoKα","","0.0619","0.0446","","","0.0982","0.1102","","","","","","1.026","","","","has coordinates","241575","2020-10-21","18:00:00",""
"4131353","10.722","0.0004","10.722","0.0004","60.769","0.002","90","","90","","90","","6986.1","0.4","100","2","100","2","","","","","","","","3","P 43 21 2","P 4nw 2abw","96","SL1800","","","- C20 H30 O3 -","- C20 H30 O3 -","- C320 H480 O48 -","16","2","","Liu, Shu-An; Trauner, Dirk","Asymmetric Synthesis of the Antiviral Diterpene Wickerol A.","Journal of the American Chemical Society","2017","139","28","9491","9494","10.1021/jacs.7b05046","","","0.71073","MoKα","","0.0663","0.0606","","","0.142","0.1443","","","","","","1.198","","","","has coordinates,has disorder","241576","2020-10-21","18:00:00",""
"4131354","11.1208","0.0003","11.3351","0.0003","18.5681","0.0005","90","","90","","90","","2340.61","0.11","100","","100","","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C19 H42 B Fe N3 P2 -","- C19 H42 B Fe N3 P2 -","- C76 H168 B4 Fe4 N12 P8 -","4","1","","Gorgas, Nikolaus; Alves, Luis G.; Stöger, Berthold; Martins, Ana M.; Veiros, Luis F.; Kirchner, Karl","Stable, Yet Highly Reactive Nonclassical Iron(II) Polyhydride Pincer Complexes: Z-Selective Dimerization and Hydroboration of Terminal Alkynes.","Journal of the American Chemical Society","2017","139","24","8130","8133","10.1021/jacs.7b05051","","x-ray","0.71073","MoKα","","0.0354","0.0258","","","0.0273","0.0284","","","","1.09","1.09","1.05","","","","has coordinates","241577","2020-10-21","18:00:00",""
"4131355","18.5403","0.0004","22.3875","0.0005","28.9019","0.0007","90","","90","","90","","11996.3","0.5","100","","100","","","","","","","","","7","P b c a","-P 2ac 2ab","61","","","","- C25 H52 B Fe N3 O2 P2 -","- C25 H52 B Fe N3 O2 P2 -","- C400 H832 B16 Fe16 N48 O32 P32 -","16","2","","Gorgas, Nikolaus; Alves, Luis G.; Stöger, Berthold; Martins, Ana M.; Veiros, Luis F.; Kirchner, Karl","Stable, Yet Highly Reactive Nonclassical Iron(II) Polyhydride Pincer Complexes: Z-Selective Dimerization and Hydroboration of Terminal Alkynes.","Journal of the American Chemical Society","2017","139","24","8130","8133","10.1021/jacs.7b05051","","x-ray","0.71073","MoKα","","0.1051","0.0453","","","0.0414","0.0474","","","","1.58","1.58","1.33","","","","has coordinates","241577","2020-10-21","18:00:00",""
"4131356","28.0364","0.0019","11.6906","0.0008","13.9459","0.0009","90","","97.324","0.002","90","","4533.6","0.5","100","","100","","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C19 H41 Fe N3 P2 -","- C19 H41 Fe N3 P2 -","- C152 H328 Fe8 N24 P16 -","8","1","","Gorgas, Nikolaus; Alves, Luis G.; Stöger, Berthold; Martins, Ana M.; Veiros, Luis F.; Kirchner, Karl","Stable, Yet Highly Reactive Nonclassical Iron(II) Polyhydride Pincer Complexes: Z-Selective Dimerization and Hydroboration of Terminal Alkynes.","Journal of the American Chemical Society","2017","139","24","8130","8133","10.1021/jacs.7b05051","","x-ray","0.71073","MoKα","","0.0576","0.0321","","","0.0342","0.0364","","","","1.61","1.61","1.44","","","","has coordinates","241577","2020-10-21","18:00:00",""
"4131357","5.5523","0.0002","9.9458","0.0003","17.2211","0.0006","102.928","0.002","91.667","0.002","100.473","0.002","909.02","0.05","100","2","100","2","","","","","","","","4","P -1","-P 1","2","71452-132","gene905","","- C23 H21 F O -","- C23 H21 F O -","- C46 H42 F2 O2 -","2","1","","Li, Beryl X.; Le, Diane N.; Mack, Kyle A.; McClory, Andrew; Lim, Ngiap-Kie; Cravillion, Theresa; Savage, Scott; Han, Chong; Collum, David B.; Zhang, Haiming; Gosselin, Francis","Highly Stereoselective Synthesis of Tetrasubstituted Acyclic All-Carbon Olefins via Enol Tosylation and Suzuki-Miyaura Coupling.","Journal of the American Chemical Society","2017","139","31","10777","10783","10.1021/jacs.7b05071","","","0.71073","MoKα","","0.0533","0.0428","","","0.1052","0.1129","","","","","","1.085","","","","has coordinates","241578","2020-10-21","18:00:00",""
"4131358","9.4458","0.0004","9.8045","0.0004","10.2876","0.0004","74.222","0.001","80.9","0.001","76.852","0.001","888.09","0.06","100","2","100","2","","","","","","","","3","P -1","-P 1","2","71452-151","gene961","","- C24 H21 F -","- C24 H21 F -","- C48 H42 F2 -","2","1","","Li, Beryl X.; Le, Diane N.; Mack, Kyle A.; McClory, Andrew; Lim, Ngiap-Kie; Cravillion, Theresa; Savage, Scott; Han, Chong; Collum, David B.; Zhang, Haiming; Gosselin, Francis","Highly Stereoselective Synthesis of Tetrasubstituted Acyclic All-Carbon Olefins via Enol Tosylation and Suzuki-Miyaura Coupling.","Journal of the American Chemical Society","2017","139","31","10777","10783","10.1021/jacs.7b05071","","","0.71073","MoKα","","0.0519","0.0446","","","0.111","0.1178","","","","","","1.062","","","","has coordinates","241579","2020-10-21","18:00:00",""
"4131359","7.8872","0.0007","6.0338","0.0005","21.8424","0.0019","90","","91.418","0.002","90","","1039.16","0.16","200","2","200","2","","","","","","","","4","P 1 21 1","P 2yb","4","71462-057","gene767","","- C24 H24 O4 S -","- C24 H24 O4 S -","- C48 H48 O8 S2 -","2","1","","Li, Beryl X.; Le, Diane N.; Mack, Kyle A.; McClory, Andrew; Lim, Ngiap-Kie; Cravillion, Theresa; Savage, Scott; Han, Chong; Collum, David B.; Zhang, Haiming; Gosselin, Francis","Highly Stereoselective Synthesis of Tetrasubstituted Acyclic All-Carbon Olefins via Enol Tosylation and Suzuki-Miyaura Coupling.","Journal of the American Chemical Society","2017","139","31","10777","10783","10.1021/jacs.7b05071","","","0.71073","MoKα","","0.0616","0.0495","","","0.1043","0.1094","","","","","","1.045","","","","has coordinates","241580","2020-10-21","18:00:00",""
"4131360","8.5739","0.0016","5.6098","0.001","31.566","0.006","90","","96.311","0.004","90","","1509.1","0.5","100","2","100","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","71452-138","gene906","","- C21 H17 F -","- C21 H17 F -","- C84 H68 F4 -","4","1","","Li, Beryl X.; Le, Diane N.; Mack, Kyle A.; McClory, Andrew; Lim, Ngiap-Kie; Cravillion, Theresa; Savage, Scott; Han, Chong; Collum, David B.; Zhang, Haiming; Gosselin, Francis","Highly Stereoselective Synthesis of Tetrasubstituted Acyclic All-Carbon Olefins via Enol Tosylation and Suzuki-Miyaura Coupling.","Journal of the American Chemical Society","2017","139","31","10777","10783","10.1021/jacs.7b05071","","","0.71073","MoKα","","0.0843","0.0711","","","0.1273","0.1315","","","","","","1.248","","","","has coordinates","241581","2020-10-21","18:00:00",""
"4131361","10.1549","0.0007","14.8484","0.001","15.7384","0.0011","90","","102.915","0.001","90","","2313.1","0.3","100","2","100","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","71462-46","gene777","","- C26 H26 O5 S -","- C26 H26 O5 S -","- C104 H104 O20 S4 -","4","1","","Li, Beryl X.; Le, Diane N.; Mack, Kyle A.; McClory, Andrew; Lim, Ngiap-Kie; Cravillion, Theresa; Savage, Scott; Han, Chong; Collum, David B.; Zhang, Haiming; Gosselin, Francis","Highly Stereoselective Synthesis of Tetrasubstituted Acyclic All-Carbon Olefins via Enol Tosylation and Suzuki-Miyaura Coupling.","Journal of the American Chemical Society","2017","139","31","10777","10783","10.1021/jacs.7b05071","","","0.71073","MoKα","","0.0576","0.0465","","","0.1181","0.1267","","","","","","1.072","","","","has coordinates","241582","2020-10-21","18:00:00",""
"4131362","11.9658","0.001","5.5651","0.0005","13.704","0.0013","90","","96.528","0.003","90","","906.64","0.14","100","2","100","2","","","","","","","","3","P 1 21 1","P 2yb","4","71452-162","gene965","","- C23 H19 F3 -","- C23 H19 F3 -","- C46 H38 F6 -","2","1","","Li, Beryl X.; Le, Diane N.; Mack, Kyle A.; McClory, Andrew; Lim, Ngiap-Kie; Cravillion, Theresa; Savage, Scott; Han, Chong; Collum, David B.; Zhang, Haiming; Gosselin, Francis","Highly Stereoselective Synthesis of Tetrasubstituted Acyclic All-Carbon Olefins via Enol Tosylation and Suzuki-Miyaura Coupling.","Journal of the American Chemical Society","2017","139","31","10777","10783","10.1021/jacs.7b05071","","","0.71073","MoKα","","0.0705","0.0588","","","0.1458","0.1545","","","","","","1.067","","","","has coordinates","241583","2020-10-21","18:00:00",""
"4131363","5.9623","0.0003","7.832","0.0003","41.1862","0.0018","90","","90","","90","","1923.26","0.15","100","2","100","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","71452-53","gene800","","- C23 H22 O3 S -","- C23 H22 O3 S -","- C92 H88 O12 S4 -","4","1","","Li, Beryl X.; Le, Diane N.; Mack, Kyle A.; McClory, Andrew; Lim, Ngiap-Kie; Cravillion, Theresa; Savage, Scott; Han, Chong; Collum, David B.; Zhang, Haiming; Gosselin, Francis","Highly Stereoselective Synthesis of Tetrasubstituted Acyclic All-Carbon Olefins via Enol Tosylation and Suzuki-Miyaura Coupling.","Journal of the American Chemical Society","2017","139","31","10777","10783","10.1021/jacs.7b05071","","","0.71073","MoKα","","0.0427","0.0396","","","0.0881","0.0896","","","","","","1.116","","","","has coordinates,has disorder","241584","2020-10-21","18:00:00",""
"4131364","6.138","0.0003","8.0372","0.0004","40.2939","0.0018","90","","90","","90","","1987.79","0.16","100","2","100","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","71462-43","gene775","","- C23 H21 F O3 S -","- C23 H21 F O3 S -","- C92 H84 F4 O12 S4 -","4","1","","Li, Beryl X.; Le, Diane N.; Mack, Kyle A.; McClory, Andrew; Lim, Ngiap-Kie; Cravillion, Theresa; Savage, Scott; Han, Chong; Collum, David B.; Zhang, Haiming; Gosselin, Francis","Highly Stereoselective Synthesis of Tetrasubstituted Acyclic All-Carbon Olefins via Enol Tosylation and Suzuki-Miyaura Coupling.","Journal of the American Chemical Society","2017","139","31","10777","10783","10.1021/jacs.7b05071","","","0.71073","MoKα","","0.0321","0.0314","","","0.0883","0.0889","","","","","","1.117","","","","has coordinates","241585","2020-10-21","18:00:00",""
"4131365","10.3876","0.0011","11.2894","0.0012","11.3219","0.0012","106.35","0.002","105.817","0.002","114.671","0.002","1035.43","0.19","200","2","200","2","","","","","","","","4","P -1","-P 1","2","71462-058","gene765","","- C24 H24 O3 S -","- C24 H24 O3 S -","- C48 H48 O6 S2 -","2","1","","Li, Beryl X.; Le, Diane N.; Mack, Kyle A.; McClory, Andrew; Lim, Ngiap-Kie; Cravillion, Theresa; Savage, Scott; Han, Chong; Collum, David B.; Zhang, Haiming; Gosselin, Francis","Highly Stereoselective Synthesis of Tetrasubstituted Acyclic All-Carbon Olefins via Enol Tosylation and Suzuki-Miyaura Coupling.","Journal of the American Chemical Society","2017","139","31","10777","10783","10.1021/jacs.7b05071","","","0.71073","MoKα","","0.0518","0.0426","","","0.1114","0.1217","","","","","","1.048","","","","has coordinates","241586","2020-10-21","18:00:00",""
"4131366","5.721","0.003","16.056","0.009","18.916","0.011","90","","91.068","0.011","90","","1737.3","1.7","100","2","100","2","","","","","","","","2","P 1 21/c 1","-P 2ybc","14","71452-123","gene903","","- C23 H22 -","- C23 H22 -","- C92 H88 -","4","1","","Li, Beryl X.; Le, Diane N.; Mack, Kyle A.; McClory, Andrew; Lim, Ngiap-Kie; Cravillion, Theresa; Savage, Scott; Han, Chong; Collum, David B.; Zhang, Haiming; Gosselin, Francis","Highly Stereoselective Synthesis of Tetrasubstituted Acyclic All-Carbon Olefins via Enol Tosylation and Suzuki-Miyaura Coupling.","Journal of the American Chemical Society","2017","139","31","10777","10783","10.1021/jacs.7b05071","","","0.71073","MoKα","","0.0769","0.0496","","","0.1109","0.1237","","","","","","1.031","","","","has coordinates","241587","2020-10-21","18:00:00",""
"4131367","10.1785","0.0011","11.2505","0.0012","18.6095","0.0019","90","","99.021","0.002","90","","2104.7","0.4","100","2","100","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","71462-44","gene774","","- C24 H24 O4 S -","- C24 H24 O4 S -","- C96 H96 O16 S4 -","4","1","","Li, Beryl X.; Le, Diane N.; Mack, Kyle A.; McClory, Andrew; Lim, Ngiap-Kie; Cravillion, Theresa; Savage, Scott; Han, Chong; Collum, David B.; Zhang, Haiming; Gosselin, Francis","Highly Stereoselective Synthesis of Tetrasubstituted Acyclic All-Carbon Olefins via Enol Tosylation and Suzuki-Miyaura Coupling.","Journal of the American Chemical Society","2017","139","31","10777","10783","10.1021/jacs.7b05071","","","0.71073","MoKα","","0.0654","0.0472","","","0.1139","0.1261","","","","","","1.029","","","","has coordinates","241588","2020-10-21","18:00:00",""
"4131368","7.296","0.0004","13.462","0.0007","23.3477","0.0012","90","","95.558","0.002","90","","2282.4","0.2","100","2","100","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","71452-089","gene869","","- C26 H26 O5 S -","- C26 H26 O5 S -","- C104 H104 O20 S4 -","4","1","","Li, Beryl X.; Le, Diane N.; Mack, Kyle A.; McClory, Andrew; Lim, Ngiap-Kie; Cravillion, Theresa; Savage, Scott; Han, Chong; Collum, David B.; Zhang, Haiming; Gosselin, Francis","Highly Stereoselective Synthesis of Tetrasubstituted Acyclic All-Carbon Olefins via Enol Tosylation and Suzuki-Miyaura Coupling.","Journal of the American Chemical Society","2017","139","31","10777","10783","10.1021/jacs.7b05071","","","0.71073","MoKα","","0.0543","0.041","","","0.0955","0.1027","","","","","","1.055","","","","has coordinates","241589","2020-10-21","18:00:00",""
"4131369","7.8225","0.0008","6.0641","0.0007","20.897","0.002","90","","93.48","0.004","90","","989.45","0.18","100","2","100","2","","","","","","","","5","P 1 21 1","P 2yb","4","71462-052","gene754","","- C23 H21 Cl O3 S -","- C23 H21 Cl O3 S -","- C46 H42 Cl2 O6 S2 -","2","1","","Li, Beryl X.; Le, Diane N.; Mack, Kyle A.; McClory, Andrew; Lim, Ngiap-Kie; Cravillion, Theresa; Savage, Scott; Han, Chong; Collum, David B.; Zhang, Haiming; Gosselin, Francis","Highly Stereoselective Synthesis of Tetrasubstituted Acyclic All-Carbon Olefins via Enol Tosylation and Suzuki-Miyaura Coupling.","Journal of the American Chemical Society","2017","139","31","10777","10783","10.1021/jacs.7b05071","","","1.54178","CuKα","","0.0242","0.0239","","","0.0614","0.0615","","","","","","1.067","","","","has coordinates","241590","2020-10-21","18:00:00",""
"4131370","22.047","0.002","10.2379","0.001","19.341","0.002","90","","100.02","0.002","90","","4299","0.7","100","2","100","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","71462-64","gene780","","- C24 H21 F3 O3 S -","- C24 H21 F3 O3 S -","- C192 H168 F24 O24 S8 -","8","1","","Li, Beryl X.; Le, Diane N.; Mack, Kyle A.; McClory, Andrew; Lim, Ngiap-Kie; Cravillion, Theresa; Savage, Scott; Han, Chong; Collum, David B.; Zhang, Haiming; Gosselin, Francis","Highly Stereoselective Synthesis of Tetrasubstituted Acyclic All-Carbon Olefins via Enol Tosylation and Suzuki-Miyaura Coupling.","Journal of the American Chemical Society","2017","139","31","10777","10783","10.1021/jacs.7b05071","","","0.71073","MoKα","","0.0591","0.0465","","","0.1125","0.1232","","","","","","1.035","","","","has coordinates","241591","2020-10-21","18:00:00",""
"4131371","7.8407","0.0008","5.9578","0.0006","20.722","0.002","90","","94.566","0.002","90","","964.92","0.17","100","2","100","2","","","","","","","","5","P 1 21 1","P 2yb","4","71462-051","gene755","","- C23 H21 F O3 S -","- C23 H21 F O3 S -","- C46 H42 F2 O6 S2 -","2","1","","Li, Beryl X.; Le, Diane N.; Mack, Kyle A.; McClory, Andrew; Lim, Ngiap-Kie; Cravillion, Theresa; Savage, Scott; Han, Chong; Collum, David B.; Zhang, Haiming; Gosselin, Francis","Highly Stereoselective Synthesis of Tetrasubstituted Acyclic All-Carbon Olefins via Enol Tosylation and Suzuki-Miyaura Coupling.","Journal of the American Chemical Society","2017","139","31","10777","10783","10.1021/jacs.7b05071","","","0.71073","MoKα","","0.0632","0.0516","","","0.1186","0.1254","","","","","","1.038","","","","has coordinates","241592","2020-10-21","18:00:00",""
"4131372","5.7536","0.0003","18.8396","0.001","19.464","0.0011","100.729","0.003","92.651","0.003","91.874","0.003","2068.87","0.19","100","2","100","2","","","","","","","","4","P -1","-P 1","2","71462-047","gene769","","- C24 H24 O4 S -","- C24 H24 O4 S -","- C96 H96 O16 S4 -","4","2","","Li, Beryl X.; Le, Diane N.; Mack, Kyle A.; McClory, Andrew; Lim, Ngiap-Kie; Cravillion, Theresa; Savage, Scott; Han, Chong; Collum, David B.; Zhang, Haiming; Gosselin, Francis","Highly Stereoselective Synthesis of Tetrasubstituted Acyclic All-Carbon Olefins via Enol Tosylation and Suzuki-Miyaura Coupling.","Journal of the American Chemical Society","2017","139","31","10777","10783","10.1021/jacs.7b05071","","","0.71073","MoKα","","0.0942","0.0588","","","0.1361","0.152","","","","","","1.024","","","","has coordinates","241593","2020-10-21","18:00:00",""
"4131373","11.0293","0.0006","10.1869","0.0006","18.0805","0.001","90","","95.853","0.001","90","","2020.8","0.2","100","2","100","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","71462-49","gene779","","- C23 H21 Cl O3 S -","- C23 H21 Cl O3 S -","- C92 H84 Cl4 O12 S4 -","4","1","","Li, Beryl X.; Le, Diane N.; Mack, Kyle A.; McClory, Andrew; Lim, Ngiap-Kie; Cravillion, Theresa; Savage, Scott; Han, Chong; Collum, David B.; Zhang, Haiming; Gosselin, Francis","Highly Stereoselective Synthesis of Tetrasubstituted Acyclic All-Carbon Olefins via Enol Tosylation and Suzuki-Miyaura Coupling.","Journal of the American Chemical Society","2017","139","31","10777","10783","10.1021/jacs.7b05071","","","0.71073","MoKα","","0.0462","0.0399","","","0.0976","0.103","","","","","","1.057","","","","has coordinates","241594","2020-10-21","18:00:00",""
"4131374","17.5541","0.0007","5.63","0.0002","20.232","0.0009","90","","99.807","0.002","90","","1970.3","0.14","100","2","100","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","71452-154","gene963","","- C25 H24 O2 -","- C25 H24 O2 -","- C100 H96 O8 -","4","1","","Li, Beryl X.; Le, Diane N.; Mack, Kyle A.; McClory, Andrew; Lim, Ngiap-Kie; Cravillion, Theresa; Savage, Scott; Han, Chong; Collum, David B.; Zhang, Haiming; Gosselin, Francis","Highly Stereoselective Synthesis of Tetrasubstituted Acyclic All-Carbon Olefins via Enol Tosylation and Suzuki-Miyaura Coupling.","Journal of the American Chemical Society","2017","139","31","10777","10783","10.1021/jacs.7b05071","","","0.71073","MoKα","","0.0881","0.0696","","","0.1859","0.207","","","","","","1.04","","","","has coordinates","241595","2020-10-21","18:00:00",""
"4131375","16.2361","0.0011","7.3738","0.0005","17.5467","0.0012","90","","107.591","0.001","90","","2002.5","0.2","100","2","100","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","71462-71","gene798","","- C24 H24 O4 S -","- C24 H24 O4 S -","- C96 H96 O16 S4 -","4","1","","Li, Beryl X.; Le, Diane N.; Mack, Kyle A.; McClory, Andrew; Lim, Ngiap-Kie; Cravillion, Theresa; Savage, Scott; Han, Chong; Collum, David B.; Zhang, Haiming; Gosselin, Francis","Highly Stereoselective Synthesis of Tetrasubstituted Acyclic All-Carbon Olefins via Enol Tosylation and Suzuki-Miyaura Coupling.","Journal of the American Chemical Society","2017","139","31","10777","10783","10.1021/jacs.7b05071","","","0.71073","MoKα","","0.0625","0.0441","","","0.102","0.1125","","","","","","1.055","","","","has coordinates","241596","2020-10-21","18:00:00",""
"4131376","12.5238","0.0008","9.4922","0.0006","16.7995","0.0011","90","","107.658","0.001","90","","1903","0.2","100","2","100","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","71452-126","gene893","","- C22 H21 N O3 S -","- C22 H21 N O3 S -","- C88 H84 N4 O12 S4 -","4","1","","Li, Beryl X.; Le, Diane N.; Mack, Kyle A.; McClory, Andrew; Lim, Ngiap-Kie; Cravillion, Theresa; Savage, Scott; Han, Chong; Collum, David B.; Zhang, Haiming; Gosselin, Francis","Highly Stereoselective Synthesis of Tetrasubstituted Acyclic All-Carbon Olefins via Enol Tosylation and Suzuki-Miyaura Coupling.","Journal of the American Chemical Society","2017","139","31","10777","10783","10.1021/jacs.7b05071","","","0.71073","MoKα","","0.0509","0.0394","","","0.0902","0.0971","","","","","","1.036","","","","has coordinates","241597","2020-10-21","18:00:00",""
"4131377","9.3346","0.0004","10.3434","0.0004","17.6498","0.0007","90","","99.825","0.002","90","","1679.12","0.12","100","2","100","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","71452-131B","gene918","","- C22 H18 F2 -","- C22 H18 F2 -","- C88 H72 F8 -","4","1","","Li, Beryl X.; Le, Diane N.; Mack, Kyle A.; McClory, Andrew; Lim, Ngiap-Kie; Cravillion, Theresa; Savage, Scott; Han, Chong; Collum, David B.; Zhang, Haiming; Gosselin, Francis","Highly Stereoselective Synthesis of Tetrasubstituted Acyclic All-Carbon Olefins via Enol Tosylation and Suzuki-Miyaura Coupling.","Journal of the American Chemical Society","2017","139","31","10777","10783","10.1021/jacs.7b05071","","","0.71073","MoKα","","0.058","0.0426","","","0.1027","0.1125","","","","","","1.063","","","","has coordinates","241598","2020-10-21","18:00:00",""
"4131378","14.7622","0.0013","7.5055","0.0007","19.1024","0.0018","90","","112.638","0.001","90","","1953.4","0.3","100","2","100","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","71462-48","gene778","","- C24 H24 O3 S -","- C24 H24 O3 S -","- C96 H96 O12 S4 -","4","1","","Li, Beryl X.; Le, Diane N.; Mack, Kyle A.; McClory, Andrew; Lim, Ngiap-Kie; Cravillion, Theresa; Savage, Scott; Han, Chong; Collum, David B.; Zhang, Haiming; Gosselin, Francis","Highly Stereoselective Synthesis of Tetrasubstituted Acyclic All-Carbon Olefins via Enol Tosylation and Suzuki-Miyaura Coupling.","Journal of the American Chemical Society","2017","139","31","10777","10783","10.1021/jacs.7b05071","","","0.71073","MoKα","","0.0545","0.0417","","","0.0976","0.1062","","","","","","1.056","","","","has coordinates","241599","2020-10-21","18:00:00",""
"4131379","10.102","0.003","8.912","0.003","18.5","0.006","90","","95.274","0.007","90","","1658.5","0.9","100","2","100","2","","","","","","","","3","P 1 21/n 1","-P 2yn","14","71452-128","gene919","","- C22 H19 F -","- C22 H19 F -","- C88 H76 F4 -","4","1","","Li, Beryl X.; Le, Diane N.; Mack, Kyle A.; McClory, Andrew; Lim, Ngiap-Kie; Cravillion, Theresa; Savage, Scott; Han, Chong; Collum, David B.; Zhang, Haiming; Gosselin, Francis","Highly Stereoselective Synthesis of Tetrasubstituted Acyclic All-Carbon Olefins via Enol Tosylation and Suzuki-Miyaura Coupling.","Journal of the American Chemical Society","2017","139","31","10777","10783","10.1021/jacs.7b05071","","","0.71073","MoKα","","0.1212","0.0809","","","0.1758","0.1905","","","","","","1.188","","","","has coordinates","241600","2020-10-21","18:00:00",""
"4131380","12.2957","0.0005","8.703","0.0004","15.5509","0.0006","90","","92.233","0.002","90","","1662.83","0.12","100","2","100","2","","","","","","","","3","P 1 21/n 1","-P 2yn","14","71452-122A","gene891","","- C22 H19 F -","- C22 H19 F -","- C88 H76 F4 -","4","1","","Li, Beryl X.; Le, Diane N.; Mack, Kyle A.; McClory, Andrew; Lim, Ngiap-Kie; Cravillion, Theresa; Savage, Scott; Han, Chong; Collum, David B.; Zhang, Haiming; Gosselin, Francis","Highly Stereoselective Synthesis of Tetrasubstituted Acyclic All-Carbon Olefins via Enol Tosylation and Suzuki-Miyaura Coupling.","Journal of the American Chemical Society","2017","139","31","10777","10783","10.1021/jacs.7b05071","","","1.54178","CuKα","","0.0363","0.0337","","","0.0861","0.0888","","","","","","1.046","","","","has coordinates","241601","2020-10-21","18:00:00",""
"4131381","10.6254","0.001","17.428","0.002","21.959","0.002","90","","90","","90","","4066.4","0.7","100","2","100","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","71452-149","gene959","","- C25 H23 F O2 -","- C25 H23 F O2 -","- C200 H184 F8 O16 -","8","1","","Li, Beryl X.; Le, Diane N.; Mack, Kyle A.; McClory, Andrew; Lim, Ngiap-Kie; Cravillion, Theresa; Savage, Scott; Han, Chong; Collum, David B.; Zhang, Haiming; Gosselin, Francis","Highly Stereoselective Synthesis of Tetrasubstituted Acyclic All-Carbon Olefins via Enol Tosylation and Suzuki-Miyaura Coupling.","Journal of the American Chemical Society","2017","139","31","10777","10783","10.1021/jacs.7b05071","","","0.71073","MoKα","","0.1","0.0493","","","0.1142","0.1493","","","","","","1.014","","","","has coordinates","241602","2020-10-21","18:00:00",""
"4131382","9.3948","0.0003","9.4545","0.0003","10.5713","0.0004","113.006","0.001","90.533","0.001","93.797","0.001","861.76","0.05","100","2","100","2","","","","","","","","2","P -1","-P 1","2","71452-153","gene962","","- C23 H22 -","- C23 H22 -","- C46 H44 -","2","1","","Li, Beryl X.; Le, Diane N.; Mack, Kyle A.; McClory, Andrew; Lim, Ngiap-Kie; Cravillion, Theresa; Savage, Scott; Han, Chong; Collum, David B.; Zhang, Haiming; Gosselin, Francis","Highly Stereoselective Synthesis of Tetrasubstituted Acyclic All-Carbon Olefins via Enol Tosylation and Suzuki-Miyaura Coupling.","Journal of the American Chemical Society","2017","139","31","10777","10783","10.1021/jacs.7b05071","","","1.54178","CuKα","","0.0416","0.0399","","","0.1048","0.1068","","","","","","1.044","","","","has coordinates","241603","2020-10-21","18:00:00",""
"4131383","11.5316","0.0007","19.9422","0.0013","9.0447","0.0006","90","","108.879","0.002","90","","1968.1","0.2","100","2","100","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","68706-019","gene870","","- C22 H21 N O3 S -","- C22 H21 N O3 S -","- C88 H84 N4 O12 S4 -","4","1","","Li, Beryl X.; Le, Diane N.; Mack, Kyle A.; McClory, Andrew; Lim, Ngiap-Kie; Cravillion, Theresa; Savage, Scott; Han, Chong; Collum, David B.; Zhang, Haiming; Gosselin, Francis","Highly Stereoselective Synthesis of Tetrasubstituted Acyclic All-Carbon Olefins via Enol Tosylation and Suzuki-Miyaura Coupling.","Journal of the American Chemical Society","2017","139","31","10777","10783","10.1021/jacs.7b05071","","","0.71073","MoKα","","0.044","0.0374","","","0.0879","0.0919","","","","","","1.042","","","","has coordinates","241604","2020-10-21","18:00:00",""
"4131384","10.1195","0.001","11.0431","0.0011","11.1733","0.0011","62.149","0.002","70.126","0.002","87.43","0.002","1028.44","0.18","100","2","100","2","","","","","","","","4","P -1","-P 1","2","71462-45","gene776","","- C24 H24 O3 S -","- C24 H24 O3 S -","- C48 H48 O6 S2 -","2","1","","Li, Beryl X.; Le, Diane N.; Mack, Kyle A.; McClory, Andrew; Lim, Ngiap-Kie; Cravillion, Theresa; Savage, Scott; Han, Chong; Collum, David B.; Zhang, Haiming; Gosselin, Francis","Highly Stereoselective Synthesis of Tetrasubstituted Acyclic All-Carbon Olefins via Enol Tosylation and Suzuki-Miyaura Coupling.","Journal of the American Chemical Society","2017","139","31","10777","10783","10.1021/jacs.7b05071","","","0.71073","MoKα","","0.0597","0.0477","","","0.1166","0.1252","","","","","","1.062","","","","has coordinates","241605","2020-10-21","18:00:00",""
"4131385","6.1836","0.0003","7.6778","0.0004","19.3378","0.0009","90","","90.454","0.001","90","","918.06","0.08","100","2","100","2","","","","","","","","4","P 1 21 1","P 2yb","4","71462-055","gene768","","- C22 H20 O3 S -","- C22 H20 O3 S -","- C44 H40 O6 S2 -","2","1","","Li, Beryl X.; Le, Diane N.; Mack, Kyle A.; McClory, Andrew; Lim, Ngiap-Kie; Cravillion, Theresa; Savage, Scott; Han, Chong; Collum, David B.; Zhang, Haiming; Gosselin, Francis","Highly Stereoselective Synthesis of Tetrasubstituted Acyclic All-Carbon Olefins via Enol Tosylation and Suzuki-Miyaura Coupling.","Journal of the American Chemical Society","2017","139","31","10777","10783","10.1021/jacs.7b05071","","","0.71073","MoKα","","0.0439","0.0387","","","0.0922","0.1036","","","","","","1.157","","","","has coordinates","241606","2020-10-21","18:00:00",""
"4131386","31.553","0.003","5.657","0.0004","9.6179","0.0007","90","","90","","90","","1716.8","0.2","100","2","100","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","71452-147","gene917","","- C23 H21 F -","- C23 H21 F -","- C92 H84 F4 -","4","1","","Li, Beryl X.; Le, Diane N.; Mack, Kyle A.; McClory, Andrew; Lim, Ngiap-Kie; Cravillion, Theresa; Savage, Scott; Han, Chong; Collum, David B.; Zhang, Haiming; Gosselin, Francis","Highly Stereoselective Synthesis of Tetrasubstituted Acyclic All-Carbon Olefins via Enol Tosylation and Suzuki-Miyaura Coupling.","Journal of the American Chemical Society","2017","139","31","10777","10783","10.1021/jacs.7b05071","","","0.71073","MoKα","","0.0584","0.0516","","","0.1012","0.1032","","","","","","1.116","","","","has coordinates","241607","2020-10-21","18:00:00",""
"4131387","12.8187","0.0005","8.7228","0.0004","15.7048","0.0006","90","","93.929","0.001","90","","1751.9","0.12","100","2","100","2","","","","","","","","3","P 1 21/n 1","-P 2yn","14","71452-146","gene958","","- C23 H22 O -","- C23 H22 O -","- C92 H88 O4 -","4","1","","Li, Beryl X.; Le, Diane N.; Mack, Kyle A.; McClory, Andrew; Lim, Ngiap-Kie; Cravillion, Theresa; Savage, Scott; Han, Chong; Collum, David B.; Zhang, Haiming; Gosselin, Francis","Highly Stereoselective Synthesis of Tetrasubstituted Acyclic All-Carbon Olefins via Enol Tosylation and Suzuki-Miyaura Coupling.","Journal of the American Chemical Society","2017","139","31","10777","10783","10.1021/jacs.7b05071","","","1.54178","CuKα","","0.0357","0.0343","","","0.0886","0.0901","","","","","","1.042","","","","has coordinates","241608","2020-10-21","18:00:00",""
"4131388","6.0473","0.0002","23.2692","0.0009","15.0816","0.0005","90","","98.752","0.002","90","","2097.51","0.13","100","2","100","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","68863-199","gene804","","- C24 H21 F3 O3 S -","- C24 H21 F3 O3 S -","- C96 H84 F12 O12 S4 -","4","1","","Li, Beryl X.; Le, Diane N.; Mack, Kyle A.; McClory, Andrew; Lim, Ngiap-Kie; Cravillion, Theresa; Savage, Scott; Han, Chong; Collum, David B.; Zhang, Haiming; Gosselin, Francis","Highly Stereoselective Synthesis of Tetrasubstituted Acyclic All-Carbon Olefins via Enol Tosylation and Suzuki-Miyaura Coupling.","Journal of the American Chemical Society","2017","139","31","10777","10783","10.1021/jacs.7b05071","","","0.71073","MoKα","","0.0608","0.0453","","","0.1065","0.1149","","","","","","1.02","","","","has coordinates","241609","2020-10-21","18:00:00",""
"4131389","44.237","0.01","10.331","0.002","9.158","0.002","90","","95.834","0.004","90","","4163.6","1.5","100","2","100","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","71462-062","gene766","","- C25 H24 O3 S -","- C25 H24 O3 S -","- C200 H192 O24 S8 -","8","2","","Li, Beryl X.; Le, Diane N.; Mack, Kyle A.; McClory, Andrew; Lim, Ngiap-Kie; Cravillion, Theresa; Savage, Scott; Han, Chong; Collum, David B.; Zhang, Haiming; Gosselin, Francis","Highly Stereoselective Synthesis of Tetrasubstituted Acyclic All-Carbon Olefins via Enol Tosylation and Suzuki-Miyaura Coupling.","Journal of the American Chemical Society","2017","139","31","10777","10783","10.1021/jacs.7b05071","","","0.71073","MoKα","","0.1296","0.1169","","","0.2951","0.3037","","","","","","1.067","","","","has coordinates","241610","2020-10-21","18:00:00",""
"4131390","9.585","0.003","10.156","0.003","10.675","0.003","63.143","0.004","79.594","0.004","81.521","0.004","909.3","0.5","100","2","100","2","","","","","","","","3","P -1","-P 1","2","71452-142","gene920","","- C23 H19 F3 -","- C23 H19 F3 -","- C46 H38 F6 -","2","1","","Li, Beryl X.; Le, Diane N.; Mack, Kyle A.; McClory, Andrew; Lim, Ngiap-Kie; Cravillion, Theresa; Savage, Scott; Han, Chong; Collum, David B.; Zhang, Haiming; Gosselin, Francis","Highly Stereoselective Synthesis of Tetrasubstituted Acyclic All-Carbon Olefins via Enol Tosylation and Suzuki-Miyaura Coupling.","Journal of the American Chemical Society","2017","139","31","10777","10783","10.1021/jacs.7b05071","","","0.71073","MoKα","","0.067","0.047","","","0.1115","0.1255","","","","","","1.021","","","","has coordinates,has disorder","241611","2020-10-21","18:00:00",""
"4131391","9.7277","0.0005","10.2705","0.0005","10.7975","0.0005","78.543","0.002","80.516","0.002","66.907","0.002","968.02","0.08","100","2","100","2","","","","","","","","3","P -1","-P 1","2","71452-129","gene904","","- C25 H24 O2 -","- C25 H24 O2 -","- C50 H48 O4 -","2","1","","Li, Beryl X.; Le, Diane N.; Mack, Kyle A.; McClory, Andrew; Lim, Ngiap-Kie; Cravillion, Theresa; Savage, Scott; Han, Chong; Collum, David B.; Zhang, Haiming; Gosselin, Francis","Highly Stereoselective Synthesis of Tetrasubstituted Acyclic All-Carbon Olefins via Enol Tosylation and Suzuki-Miyaura Coupling.","Journal of the American Chemical Society","2017","139","31","10777","10783","10.1021/jacs.7b05071","","","0.71073","MoKα","","0.0619","0.0447","","","0.1118","0.1224","","","","","","1.067","","","","has coordinates","241612","2020-10-21","18:00:00",""
"4131392","11.2228","0.0011","14.2515","0.0014","12.8006","0.0012","90","","93.122","0.002","90","","2044.3","0.3","100","2","100","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","71462-70","gene797","","- C24 H24 O3 S -","- C24 H24 O3 S -","- C96 H96 O12 S4 -","4","1","","Li, Beryl X.; Le, Diane N.; Mack, Kyle A.; McClory, Andrew; Lim, Ngiap-Kie; Cravillion, Theresa; Savage, Scott; Han, Chong; Collum, David B.; Zhang, Haiming; Gosselin, Francis","Highly Stereoselective Synthesis of Tetrasubstituted Acyclic All-Carbon Olefins via Enol Tosylation and Suzuki-Miyaura Coupling.","Journal of the American Chemical Society","2017","139","31","10777","10783","10.1021/jacs.7b05071","","","0.71073","MoKα","","0.0606","0.0453","","","0.1081","0.1187","","","","","","1.055","","","","has coordinates","241613","2020-10-21","18:00:00",""
"4131393","7.8618","0.0004","6.0592","0.0003","20.5577","0.0009","90","","95.509","0.002","90","","974.77","0.08","100","2","100","2","","","","","","","","4","P 1 21 1","P 2yb","4","71462-61","gene781","","- C24 H22 O3 S -","- C24 H22 O3 S -","- C48 H44 O6 S2 -","2","1","","Li, Beryl X.; Le, Diane N.; Mack, Kyle A.; McClory, Andrew; Lim, Ngiap-Kie; Cravillion, Theresa; Savage, Scott; Han, Chong; Collum, David B.; Zhang, Haiming; Gosselin, Francis","Highly Stereoselective Synthesis of Tetrasubstituted Acyclic All-Carbon Olefins via Enol Tosylation and Suzuki-Miyaura Coupling.","Journal of the American Chemical Society","2017","139","31","10777","10783","10.1021/jacs.7b05071","","","1.54178","CuKα","","0.0323","0.0321","","","0.0932","0.0933","","","","","","1.179","","","","has coordinates","241614","2020-10-21","18:00:00",""
"4131394","9.5989","0.0013","9.993","0.0013","10.2627","0.0014","78.416","0.002","65.919","0.002","75.486","0.002","864.6","0.2","100","2","100","2","","","","","","","","3","P -1","-P 1","2","71452-124","gene892","","- C23 H22 O -","- C23 H22 O -","- C46 H44 O2 -","2","1","","Li, Beryl X.; Le, Diane N.; Mack, Kyle A.; McClory, Andrew; Lim, Ngiap-Kie; Cravillion, Theresa; Savage, Scott; Han, Chong; Collum, David B.; Zhang, Haiming; Gosselin, Francis","Highly Stereoselective Synthesis of Tetrasubstituted Acyclic All-Carbon Olefins via Enol Tosylation and Suzuki-Miyaura Coupling.","Journal of the American Chemical Society","2017","139","31","10777","10783","10.1021/jacs.7b05071","","","0.71073","MoKα","","0.0856","0.0485","","","0.1011","0.1176","","","","","","1.033","","","","has coordinates","241615","2020-10-21","18:00:00",""
"4131395","9.7278","0.0014","9.3897","0.0014","20.371","0.003","90","","97.634","0.005","90","","1844.2","0.5","100","2","100","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","71452-148","gene915","","- C23 H18 F4 -","- C23 H18 F4 -","- C92 H72 F16 -","4","1","","Li, Beryl X.; Le, Diane N.; Mack, Kyle A.; McClory, Andrew; Lim, Ngiap-Kie; Cravillion, Theresa; Savage, Scott; Han, Chong; Collum, David B.; Zhang, Haiming; Gosselin, Francis","Highly Stereoselective Synthesis of Tetrasubstituted Acyclic All-Carbon Olefins via Enol Tosylation and Suzuki-Miyaura Coupling.","Journal of the American Chemical Society","2017","139","31","10777","10783","10.1021/jacs.7b05071","","","0.71073","MoKα","","0.0884","0.0602","","","0.1503","0.1698","","","","","","1.05","","","","has coordinates","241616","2020-10-21","18:00:00",""
"4131396","13.566","0.002","13.861","0.002","15.236","0.003","90","","96.108","0.003","90","","2848.7","0.8","153","2","153","2","","","","","","","","8","P 1 21/n 1","-P 2yn","14","","","","- C24 H34 B F3 N7 O3 P W -","- C24 H34 B F3 N7 O3 P W -","- C96 H136 B4 F12 N28 O12 P4 W4 -","4","1","","Wilson, Katy B.; Myers, Jeffery T.; Nedzbala, Hannah S.; Combee, Logan A.; Sabat, Michal; Harman, W. Dean","Sequential Tandem Addition to a Tungsten-Trifluorotoluene Complex: A Versatile Method for the Preparation of Highly Functionalized Trifluoromethylated Cyclohexenes.","Journal of the American Chemical Society","2017","139","33","11401","11412","10.1021/jacs.7b05118","","","0.71073","MoKα","","0.0887","0.0688","","","0.1661","0.1767","","","","","","1.33","","","","has coordinates","241617","2020-10-21","18:00:00",""
"4131397","12.1351","0.001","16.3438","0.0013","15.7058","0.0013","90","","108.776","0.001","90","","2949.2","0.4","153","2","153","2","","","","","","","","8","P 1 21/c 1","-P 2ybc","14","","","","- C24 H36 B F3 N7 O3 P W -","- C24 H36 B F3 N7 O3 P W -","- C96 H144 B4 F12 N28 O12 P4 W4 -","4","1","","Wilson, Katy B.; Myers, Jeffery T.; Nedzbala, Hannah S.; Combee, Logan A.; Sabat, Michal; Harman, W. Dean","Sequential Tandem Addition to a Tungsten-Trifluorotoluene Complex: A Versatile Method for the Preparation of Highly Functionalized Trifluoromethylated Cyclohexenes.","Journal of the American Chemical Society","2017","139","33","11401","11412","10.1021/jacs.7b05118","","","0.71073","MoKα","","0.0185","0.0161","","","0.0404","0.0415","","","","","","1.019","","","","has coordinates","241618","2020-10-21","18:00:00",""
"4131398","16.3421","0.0009","16.168","0.0009","23.4046","0.0012","90","","95.524","0.001","90","","6155.2","0.6","193","2","193","2","","","","","","","","8","P 1 21/c 1","-P 2ybc","14","","","","- C25 H37 B F3 N8 O3 P W -","- C25 H37 B F3 N8 O3 P W -","- C200 H296 B8 F24 N64 O24 P8 W8 -","8","2","","Wilson, Katy B.; Myers, Jeffery T.; Nedzbala, Hannah S.; Combee, Logan A.; Sabat, Michal; Harman, W. Dean","Sequential Tandem Addition to a Tungsten-Trifluorotoluene Complex: A Versatile Method for the Preparation of Highly Functionalized Trifluoromethylated Cyclohexenes.","Journal of the American Chemical Society","2017","139","33","11401","11412","10.1021/jacs.7b05118","","","0.71073","MoKα","","0.0241","0.0191","","","0.0451","0.0466","","","","","","1.021","","","","has coordinates","241619","2020-10-21","18:00:00",""
"4131399","16.151","0.005","19.225","0.005","19.283","0.005","90","","93.851","0.009","90","","5974","3","150","2","150","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C62 H35 Al2 F30 Fe S -","- C62 H35 Al2 F30 Fe S -","- C248 H140 Al8 F120 Fe4 S4 -","4","1","","Liu, Liu Leo; Cao, Levy L.; Shao, Yue; Stephan, Douglas W.","Single Electron Delivery to Lewis Pairs: An Avenue to Anions by Small Molecule Activation.","Journal of the American Chemical Society","2017","139","29","10062","10071","10.1021/jacs.7b05120","","","0.71073","MoKα","","0.1426","0.0536","","","0.1212","0.1683","","","","","","1.021","","","","has coordinates","256254","2020-10-21","18:00:00",""
"4131400","10.504","0.002","23.922","0.005","24.325","0.005","90","","92.238","0.008","90","","6108","2","150","2","150","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C62 H35 Al2 F30 Fe Te -","- C62 H35 Al2 F30 Fe Te -","- C248 H140 Al8 F120 Fe4 Te4 -","4","1","","Liu, Liu Leo; Cao, Levy L.; Shao, Yue; Stephan, Douglas W.","Single Electron Delivery to Lewis Pairs: An Avenue to Anions by Small Molecule Activation.","Journal of the American Chemical Society","2017","139","29","10062","10071","10.1021/jacs.7b05120","","","0.71073","MoKα","","0.1386","0.0522","","","0.1096","0.1482","","","","","","0.987","","","","has coordinates","256254","2020-10-21","18:00:00",""
"4131401","10.481","0.004","11.448","0.005","24.317","0.009","92.704","0.017","101.94","0.015","92.541","0.018","2847","2","150","2","150","2","","","","","","","","7","P -1","-P 1","2","","","","- C28.92 H16.04 B Cl0.12 F15 Fe0.5 O0.5 -","- C28.9215 H16.2965 B Cl0.125 F15 Fe0.5 O0.5 -","- C115.686 H65.186 B4 Cl0.5 F60 Fe2 O2 -","4","2","","Liu, Liu Leo; Cao, Levy L.; Shao, Yue; Stephan, Douglas W.","Single Electron Delivery to Lewis Pairs: An Avenue to Anions by Small Molecule Activation.","Journal of the American Chemical Society","2017","139","29","10062","10071","10.1021/jacs.7b05120","","","0.71073","MoKα","","0.1915","0.0735","","","0.165","0.2146","","","","","","0.988","","","","has coordinates,has disorder","241621","2020-10-21","18:00:00",""
"4131402","10.592","0.002","13.454","0.003","14.36","0.003","83.346","0.006","89.68","0.006","81.366","0.006","2009.4","0.7","150","2","150","2","","","","","","","","6","P -1","-P 1","2","","","","- C45 H35 B F15 Fe O2 -","- C45 H35 B F15 Fe O2 -","- C90 H70 B2 F30 Fe2 O4 -","2","1","","Liu, Liu Leo; Cao, Levy L.; Shao, Yue; Stephan, Douglas W.","Single Electron Delivery to Lewis Pairs: An Avenue to Anions by Small Molecule Activation.","Journal of the American Chemical Society","2017","139","29","10062","10071","10.1021/jacs.7b05120","","","0.71073","MoKα","","0.1149","0.0539","","","0.1195","0.1444","","","","","","1.009","","","","has coordinates","256254","2020-10-21","18:00:00",""
"4131403","10.808","0.018","14.03","0.02","14.35","0.02","96.37","0.04","91.09","0.04","100.08","0.04","2128","6","150","2","150","2","","","","","","","","6","P -1","-P 1","2","","","","- C45 H35 Al F15 Fe O2 -","- C45 H35 Al F15 Fe O2 -","- C90 H70 Al2 F30 Fe2 O4 -","2","1","","Liu, Liu Leo; Cao, Levy L.; Shao, Yue; Stephan, Douglas W.","Single Electron Delivery to Lewis Pairs: An Avenue to Anions by Small Molecule Activation.","Journal of the American Chemical Society","2017","139","29","10062","10071","10.1021/jacs.7b05120","","","0.71073","MoKα","","0.192","0.0706","","","0.1412","0.1988","","","","","","0.965","","","","has coordinates","256254","2020-10-21","18:00:00",""
"4131404","35.462","0.003","10.0966","0.0007","20.1865","0.0012","90","","102.362","0.005","90","","7060.1","0.9","150","2","150","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C38 H31 B F15 Fe -","- C38 H31 B F15 Fe -","- C304 H248 B8 F120 Fe8 -","8","1","","Liu, Liu Leo; Cao, Levy L.; Shao, Yue; Stephan, Douglas W.","Single Electron Delivery to Lewis Pairs: An Avenue to Anions by Small Molecule Activation.","Journal of the American Chemical Society","2017","139","29","10062","10071","10.1021/jacs.7b05120","","","0.71073","MoKα","","0.1279","0.0509","","","0.0872","0.1191","","","","","","0.995","","","","has coordinates","241621","2020-10-21","18:00:00",""
"4131405","9.7403","0.0007","28.1925","0.0017","14.3597","0.0009","90","","104.661","0.005","90","","3814.8","0.4","150","2","150","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C41 H32 B F15 Fe O -","- C41 H32 B F15 Fe O -","- C164 H128 B4 F60 Fe4 O4 -","4","1","","Liu, Liu Leo; Cao, Levy L.; Shao, Yue; Stephan, Douglas W.","Single Electron Delivery to Lewis Pairs: An Avenue to Anions by Small Molecule Activation.","Journal of the American Chemical Society","2017","139","29","10062","10071","10.1021/jacs.7b05120","","","0.71073","MoKα","","0.1213","0.0625","","","0.1373","0.1669","","","","","","1.054","","","","has coordinates","241621","2020-10-21","18:00:00",""
"4131406","28.889","0.009","10.185","0.003","29.105","0.008","90","","90.014","0.006","90","","8564","4","150","2","150","2","","","","","","","","7","C 1 2/c 1","-C 2yc","15","","","","- C44.5 H40 Al Cl2 F15 Fe O -","- C44.5 H40 Al Cl2 F15 Fe O -","- C356 H320 Al8 Cl16 F120 Fe8 O8 -","8","1","","Liu, Liu Leo; Cao, Levy L.; Shao, Yue; Stephan, Douglas W.","Single Electron Delivery to Lewis Pairs: An Avenue to Anions by Small Molecule Activation.","Journal of the American Chemical Society","2017","139","29","10062","10071","10.1021/jacs.7b05120","","","0.71073","MoKα","","0.197","0.0947","","","0.2328","0.2834","","","","","","1.025","","","","has coordinates,has disorder","241621","2020-10-21","18:00:00",""
"4131407","9.8079","0.0012","21.726","0.003","23.941","0.003","92.85","0.004","91.521","0.003","102.432","0.003","4972.1","1.1","150","2","150","2","","","","","","","","8","P -1","-P 1","2","","","","- C53 H53 B Cl F15 Fe N O -","- C53 H53 B Cl F15 Fe N O -","- C212 H212 B4 Cl4 F60 Fe4 N4 O4 -","4","2","","Liu, Liu Leo; Cao, Levy L.; Shao, Yue; Stephan, Douglas W.","Single Electron Delivery to Lewis Pairs: An Avenue to Anions by Small Molecule Activation.","Journal of the American Chemical Society","2017","139","29","10062","10071","10.1021/jacs.7b05120","","","0.71073","MoKα","","0.0992","0.0678","","","0.1817","0.2034","","","","","","1.041","","","","has coordinates,has disorder","241621","2020-10-21","18:00:00",""
"4131408","9.8874","0.0008","32.141","0.003","14.6181","0.0012","90","","102.973","0.005","90","","4526.9","0.7","150","2","150","2","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C47 H48 Al F15 Fe N O -","- C47 H48 Al F15 Fe N O -","- C188 H192 Al4 F60 Fe4 N4 O4 -","4","1","","Liu, Liu Leo; Cao, Levy L.; Shao, Yue; Stephan, Douglas W.","Single Electron Delivery to Lewis Pairs: An Avenue to Anions by Small Molecule Activation.","Journal of the American Chemical Society","2017","139","29","10062","10071","10.1021/jacs.7b05120","","","0.71073","MoKα","","0.1097","0.0528","","","0.1263","0.1574","","","","","","1.064","","","","has coordinates","256254","2020-10-21","18:00:00",""
"4131409","14.168","0.003","39.796","0.008","18.693","0.004","90","","99.024","0.014","90","","10409","4","150","2","150","2","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C106 H65 Al4 Cl F50 Fe2 O2 -","- C106 H65 Al4 Cl F50 Fe2 O2 -","- C424 H260 Al16 Cl4 F200 Fe8 O8 -","4","1","","Liu, Liu Leo; Cao, Levy L.; Shao, Yue; Stephan, Douglas W.","Single Electron Delivery to Lewis Pairs: An Avenue to Anions by Small Molecule Activation.","Journal of the American Chemical Society","2017","139","29","10062","10071","10.1021/jacs.7b05120","","","0.71073","MoKα","","0.2056","0.0974","","","0.2126","0.2714","","","","","","1.019","","","","has coordinates","256254","2020-10-21","18:00:00",""
"4131410","16.026","0.003","12.948","0.002","23.926","0.004","90","","90.93","0.008","90","","4964.1","1.5","150","2","150","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C33.33 H20 Al1.33 F16.67 Fe0.67 Se0.67 -","- C33.3333 H20 Al1.33333 F16.6667 Fe0.666667 Se0.666667 -","- C200 H120 Al8 F100 Fe4 Se4 -","6","1.5","","Liu, Liu Leo; Cao, Levy L.; Shao, Yue; Stephan, Douglas W.","Single Electron Delivery to Lewis Pairs: An Avenue to Anions by Small Molecule Activation.","Journal of the American Chemical Society","2017","139","29","10062","10071","10.1021/jacs.7b05120","","","0.71073","MoKα","","0.1507","0.0613","","","0.1132","0.1443","","","","","","1.018","","","","has coordinates","241621","2020-10-21","18:00:00",""
"4131411","13.251","0.007","14.356","0.006","22.384","0.011","88.718","0.011","77.885","0.012","69.221","0.01","3886","3","150","2","150","2","","","","","","","","7","P -1","-P 1","2","","","","- C37 H21 Al1.5 Cl3 F15 Fe0.5 Te -","- C37 H21 Al1.5 Cl3 F15 Fe0.5 Te -","- C148 H84 Al6 Cl12 F60 Fe2 Te4 -","4","2","","Liu, Liu Leo; Cao, Levy L.; Shao, Yue; Stephan, Douglas W.","Single Electron Delivery to Lewis Pairs: An Avenue to Anions by Small Molecule Activation.","Journal of the American Chemical Society","2017","139","29","10062","10071","10.1021/jacs.7b05120","","","0.71073","MoKα","","0.2495","0.1077","","","0.2061","0.2667","","","","","","1.054","","","","has coordinates,has disorder","241621","2020-10-21","18:00:00",""
"4131412","9.41","0.002","20.391","0.005","21.371","0.005","95.423","0.006","95.582","0.006","97.223","0.006","4025.1","1.6","150","2","150","2","","","","","","","","7","P -1","-P 1","2","","","","- C77 H62 B2 Cl2 F30 Fe2 S7 -","- C77 H62 B2 Cl2 F30 Fe2 S7 -","- C154 H124 B4 Cl4 F60 Fe4 S14 -","2","1","","Liu, Liu Leo; Cao, Levy L.; Shao, Yue; Stephan, Douglas W.","Single Electron Delivery to Lewis Pairs: An Avenue to Anions by Small Molecule Activation.","Journal of the American Chemical Society","2017","139","29","10062","10071","10.1021/jacs.7b05120","","","0.71073","MoKα","","0.198","0.079","","","0.1724","0.2185","","","","","","1.052","","","","has coordinates","256254","2020-10-21","18:00:00",""
"4131413","10.719","0.005","13.037","0.006","15.005","0.006","84.987","0.013","88.873","0.012","82.307","0.014","2070","1.6","150","2","150","2","","","","","","","","5","P -1","-P 1","2","","","","- C44 H30 Al F20 Fe -","- C44 H30 Al F20 Fe -","- C88 H60 Al2 F40 Fe2 -","2","1","","Liu, Liu Leo; Cao, Levy L.; Shao, Yue; Stephan, Douglas W.","Single Electron Delivery to Lewis Pairs: An Avenue to Anions by Small Molecule Activation.","Journal of the American Chemical Society","2017","139","29","10062","10071","10.1021/jacs.7b05120","","","0.71073","MoKα","","0.1086","0.053","","","0.1134","0.1371","","","","","","1.01","","","","has coordinates","256254","2020-10-21","18:00:00",""
"4131414","16.7674","0.0009","5.6048","0.0003","17.3363","0.001","90","","95.623","0.005","90","","1621.39","0.16","100","2","100","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C18 H17 N3 O4 -","- C18 H17 N3 O4 -","- C72 H68 N12 O16 -","4","1","","Addy, Partha Sarathi; Erickson, Sarah B.; Italia, James S.; Chatterjee, Abhishek","A Chemoselective Rapid Azo-Coupling Reaction (CRACR) for Unclickable Bioconjugation.","Journal of the American Chemical Society","2017","139","34","11670","11673","10.1021/jacs.7b05125","","","1.54178","CuKα","","0.0627","0.0413","","","0.102","0.1133","","","","","","1.019","","","","has coordinates","241622","2020-10-21","18:00:00",""
"4131415","12.015","0.017","16.37","0.02","22.31","0.03","77.9","0.02","88.71","0.04","89.63","0.03","4289","10","100","","100","","","","","","","","see text","4","P -1","-P 1","2","","","","- C36 H63 N3 Si5 -","- C36 H63 N3 Si5 -","- C144 H252 N12 Si20 -","4","2","","Wendel, Daniel; Porzelt, Amelie; Herz, Fabian A. D.; Sarkar, Debotra; Jandl, Christian; Inoue, Shigeyoshi; Rieger, Bernhard","From Si(II) to Si(IV) and Back: Reversible Intramolecular Carbon-Carbon Bond Activation by an Acyclic Iminosilylene.","Journal of the American Chemical Society","2017","139","24","8134","8137","10.1021/jacs.7b05136","","x-ray","0.71073","MoKα","","0.114","0.0975","","","0.2348","0.2445","","","","","","1.149","","","","has coordinates,has disorder","241623","2020-10-21","18:00:00",""
"4131416","12.8285","0.0006","22.1079","0.0009","21.956","0.0011","90","","95.129","0.002","90","","6202","0.5","100","","100","","","","","","","","see text","6","P 1 21/n 1","-P 2yn","14","","","","- C57 H70 B F15 N3 Si5 -","- C57 H70 B F15 N3 Si5 -","- C228 H280 B4 F60 N12 Si20 -","4","1","","Wendel, Daniel; Porzelt, Amelie; Herz, Fabian A. D.; Sarkar, Debotra; Jandl, Christian; Inoue, Shigeyoshi; Rieger, Bernhard","From Si(II) to Si(IV) and Back: Reversible Intramolecular Carbon-Carbon Bond Activation by an Acyclic Iminosilylene.","Journal of the American Chemical Society","2017","139","24","8134","8137","10.1021/jacs.7b05136","","x-ray","0.71073","MoKα","","0.0535","0.0396","","","0.0817","0.0866","","","","","","1.082","","","","has coordinates,has disorder","241623","2020-10-21","18:00:00",""
"4131417","10.2747","0.0004","18.4172","0.0008","23.9282","0.001","90","","101.484","0.001","90","","4437.3","0.3","100","","100","","","","","","","","see text","5","P 1 21/n 1","-P 2yn","14","","","","- C37 H63 N3 O3 Si5 -","- C37 H63 N3 O3 Si5 -","- C148 H252 N12 O12 Si20 -","4","1","","Wendel, Daniel; Porzelt, Amelie; Herz, Fabian A. D.; Sarkar, Debotra; Jandl, Christian; Inoue, Shigeyoshi; Rieger, Bernhard","From Si(II) to Si(IV) and Back: Reversible Intramolecular Carbon-Carbon Bond Activation by an Acyclic Iminosilylene.","Journal of the American Chemical Society","2017","139","24","8134","8137","10.1021/jacs.7b05136","","x-ray","0.71073","MoKα","","0.0801","0.0522","","","0.0963","0.1045","","","","","","1.084","","","","has coordinates","241623","2020-10-21","18:00:00",""
"4131418","10.7825","0.0006","11.3305","0.0005","17.614","0.0009","90","","93.1","0.003","90","","2148.77","0.19","100","","100","","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C16 H33 B2 Cl2 N O4 -","- C16 H33 B2 Cl2 N O4 -","- C64 H132 B8 Cl8 N4 O16 -","4","1","","Smith, James R.; Collins, Beatrice S. L.; Hesse, Matthew J.; Graham, Mark A.; Myers, Eddie L.; Aggarwal, Varinder K.","Enantioselective Rhodium(III)-Catalyzed Markovnikov Hydroboration of Unactivated Terminal Alkenes.","Journal of the American Chemical Society","2017","139","27","9148","9151","10.1021/jacs.7b05149","","","0.71073","MoKα","","0.0716","0.0414","","","0.0884","0.1002","","","","","","1.018","","","","has coordinates,has disorder","241624","2020-10-21","18:00:00",""
"4131419","46.803","0.003","39.504","0.002","35.3743","0.0019","90","","109.002","0.001","90","","61840","6","293","2","293","2","","","","","","","","7","C 1 2/c 1","-C 2yc","15","","","","- C204 H144 Eu4 F36 N48 O63 S12 -","- C204 H144 Eu4 F36 N48 O63 S12 -","- C1632 H1152 Eu32 F288 N384 O504 S96 -","8","1","","Liu, Cui-Lian; Zhang, Rui-Ling; Lin, Chen-Sheng; Zhou, Li-Peng; Cai, Li-Xuan; Kong, Jin-Tao; Yang, Song-Qiu; Han, Ke-Li; Sun, Qing-Fu","Intraligand Charge Transfer Sensitization on Self-Assembled Europium Tetrahedral Cage Leads to Dual-Selective Luminescent Sensing toward Anion and Cation.","Journal of the American Chemical Society","2017","139","36","12474","12479","10.1021/jacs.7b05157","","","0.7388","Synchrotron","","0.1353","0.1163","","","0.3439","0.3769","","","","","","1.727","","","","has coordinates","241625","2020-10-21","18:00:00",""
"4131420","9.6892","0.0011","10.0478","0.0009","11.9882","0.0011","89.402","0.008","77.36","0.008","89.745","0.008","1138.8","0.2","100","","100","","","","","","","","","4","P 1","P 1","1","","","","- C24 H37 N O3 -","- C24 H37 N O3 -","- C48 H74 N2 O6 -","2","2","","Loskot, Steven A.; Romney, David K.; Arnold, Frances H.; Stoltz, Brian M.","Enantioselective Total Synthesis of Nigelladine A via Late-Stage C-H Oxidation Enabled by an Engineered P450 Enzyme.","Journal of the American Chemical Society","2017","139","30","10196","10199","10.1021/jacs.7b05196","","","1.54178","CuKα","","0.0568","0.0497","","","0.1066","0.1114","","","","","","1.062","","","","has coordinates","241626","2020-10-21","18:00:00",""
"4131421","8.9337","0.00019","20.7978","0.0005","23.4696","0.0006","98.332","0.002","90.9598","0.0018","95.4335","0.0019","4293.21","0.18","100","0.9","100","0.9","","","","","","","","3","P -1","-P 1","2","","","","- C96 H118 Si4 -","- C96 H118 Si4 -","- C192 H236 Si8 -","2","1","","Kumarasamy, Elango; Sanders, Samuel N.; Tayebjee, Murad J. Y.; Asadpoordarvish, Amir; Hele, Timothy J. H.; Fuemmeler, Eric G.; Pun, Andrew B.; Yablon, Lauren M.; Low, Jonathan Z.; Paley, Daniel W.; Dean, Jacob C.; Choi, Bonnie; Scholes, Gregory D.; Steigerwald, Michael L.; Ananth, Nandini; McCamey, Dane R.; Sfeir, Matthew Y.; Campos, Luis M.","Tuning Singlet Fission in π-Bridge-π Chromophores.","Journal of the American Chemical Society","2017","139","36","12488","12494","10.1021/jacs.7b05204","","x-ray","1.54184","CuKα","","0.1162","0.0931","","","0.2452","0.2655","","","","","","1.074","","","","has coordinates,has disorder","241627","2020-10-21","18:00:00",""
"4131422","26.5637","0.0005","7.89746","0.00009","41.3109","0.0009","90","","106.605","0.002","90","","8305","0.3","99.8","0.5","99.8","0.5","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C91 H106 F6 Si4 -","- C91 H106 F6 Si4 -","- C364 H424 F24 Si16 -","4","0.5","","Kumarasamy, Elango; Sanders, Samuel N.; Tayebjee, Murad J. Y.; Asadpoordarvish, Amir; Hele, Timothy J. H.; Fuemmeler, Eric G.; Pun, Andrew B.; Yablon, Lauren M.; Low, Jonathan Z.; Paley, Daniel W.; Dean, Jacob C.; Choi, Bonnie; Scholes, Gregory D.; Steigerwald, Michael L.; Ananth, Nandini; McCamey, Dane R.; Sfeir, Matthew Y.; Campos, Luis M.","Tuning Singlet Fission in π-Bridge-π Chromophores.","Journal of the American Chemical Society","2017","139","36","12488","12494","10.1021/jacs.7b05204","","x-ray","1.54184","CuKα","","0.0781","0.0726","","","0.1983","0.2035","","","","","","1.107","","","","has coordinates,has disorder","241628","2020-10-21","18:00:00",""
"4131423","9.552","0.003","13.686","0.005","19.441","0.007","91.654","0.006","93.988","0.006","109.163","0.005","2391.2","1.4","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","","","- C52 H69 N7 O Ru -","- C52 H69 N7 O Ru -","- C104 H138 N14 O2 Ru2 -","2","1","","Abucayon, Erwin G.; Powell, Douglas R.; Richter-Addo, George B","Carbon-Nitrogen and Nitrogen-Nitrogen Bond Formation from Nucleophilic Attack at Coordinated Nitrosyls in Fe and Ru Heme Models.","Journal of the American Chemical Society","2017","139","28","9495","9498","10.1021/jacs.7b05209","","","0.71073","MoKα","","0.0635","0.048","","","0.112","0.1187","","","","","","1.02","","","","has coordinates","241629","2020-10-21","18:00:00",""
"4131424","9.9756","0.0001","15.5846","0.0002","13.3924","0.0002","90","","101.861","0.001","90","","2037.61","0.05","85","2","85","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C19 H32 F3 P Pd -","- C19 H32 F3 P Pd -","- C76 H128 F12 P4 Pd4 -","4","1","","Ferguson, Devin M.; Bour, James R.; Canty, Allan J.; Kampf, Jeff W.; Sanford, Melanie S.","Stoichiometric and Catalytic Aryl-Perfluoroalkyl Coupling at Tri-tert-butylphosphine Palladium(II) Complexes.","Journal of the American Chemical Society","2017","139","34","11662","11665","10.1021/jacs.7b05216","","","1.54184","CuKα","","0.0387","0.0385","","","0.1051","0.1052","","","","","","1.125","","","","has coordinates","241630","2020-10-21","18:00:00",""
"4131425","16.80637","0.00013","14.39046","0.0001","18.03556","0.00014","90","","90","","90","","4361.93","0.06","85","2","85","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C20 H32 F5 P Pd -","- C20 H32 F5 P Pd -","- C160 H256 F40 P8 Pd8 -","8","1","","Ferguson, Devin M.; Bour, James R.; Canty, Allan J.; Kampf, Jeff W.; Sanford, Melanie S.","Stoichiometric and Catalytic Aryl-Perfluoroalkyl Coupling at Tri-tert-butylphosphine Palladium(II) Complexes.","Journal of the American Chemical Society","2017","139","34","11662","11665","10.1021/jacs.7b05216","","","1.54184","CuKα","","0.0235","0.0235","","","0.0598","0.0598","","","","","","1.093","","","","has coordinates","241631","2020-10-21","18:00:00",""
"4131426","13.3804","0.0007","8.6034","0.0004","15.1757","0.0007","90","","97.065","0.002","90","","1733.72","0.15","293","2","293","2","","","","","","","","7","P 1 21 1","P 2yb","4","VM549-1","","","- C14 H17 Br F3 N O3 S -","- C14 H17 Br F3 N O3 S -","- C56 H68 Br4 F12 N4 O12 S4 -","4","2","","Guisán-Ceinos, Manuel; Martín-Heras, Victor; Tortosa, Mariola","Regio- and Stereospecific Copper-Catalyzed Substitution Reaction of Propargylic Ammonium Salts with Aryl Grignard Reagents.","Journal of the American Chemical Society","2017","139","25","8448","8451","10.1021/jacs.7b05273","","","0.71073","MoKα","","0.0611","0.0426","","","0.1075","0.1205","","","","","","1.053","","","","has coordinates","241632","2020-10-21","18:00:00",""
"4131427","11.0798","0.0004","16.3858","0.0007","19.5188","0.0009","88.435","0.002","84.999","0.002","77.037","0.002","3440.1","0.3","100","","100","","","","","","","","see text","5","P -1","-P 1","2","","","","- C11 H20 Br3 N3 Si -","- C11 H20 Br3 N3 Si -","- C88 H160 Br24 N24 Si8 -","8","4","","Wendel, Daniel; Szilvási, Tibor; Jandl, Christian; Inoue, Shigeyoshi; Rieger, Bernhard","Twist of a Silicon-Silicon Double Bond: Selective Anti-Addition of Hydrogen to an Iminodisilene.","Journal of the American Chemical Society","2017","139","27","9156","9159","10.1021/jacs.7b05335","","x-ray","0.71073","MoKα","","0.0578","0.0428","","","0.0977","0.1049","","","","","","1.049","","","","has coordinates","241633","2020-10-21","18:00:00",""
"4131428","10.2224","0.0002","24.6439","0.0004","23.6839","0.0004","90","","95.701","0.001","90","","5936.93","0.18","100","","100","","","","","","","","see text","4","P 1 21/n 1","-P 2yn","14","","","","- C40 H94 N6 Si10 -","- C40 H94 N6 Si10 -","- C160 H376 N24 Si40 -","4","1","","Wendel, Daniel; Szilvási, Tibor; Jandl, Christian; Inoue, Shigeyoshi; Rieger, Bernhard","Twist of a Silicon-Silicon Double Bond: Selective Anti-Addition of Hydrogen to an Iminodisilene.","Journal of the American Chemical Society","2017","139","27","9156","9159","10.1021/jacs.7b05335","","x-ray","0.71073","MoKα","","0.0534","0.0378","","","0.0848","0.09","","","","","","1.018","","","","has coordinates","241633","2020-10-21","18:00:00",""
"4131429","20.3289","0.0013","13.9624","0.0009","22.7699","0.0016","90","","113.931","0.002","90","","5907.4","0.7","100","","100","","","","","","","","see text","4","P 1 21/c 1","-P 2ybc","14","","","","- C40 H96 N6 Si10 -","- C40 H96 N6 Si10 -","- C160 H384 N24 Si40 -","4","1","","Wendel, Daniel; Szilvási, Tibor; Jandl, Christian; Inoue, Shigeyoshi; Rieger, Bernhard","Twist of a Silicon-Silicon Double Bond: Selective Anti-Addition of Hydrogen to an Iminodisilene.","Journal of the American Chemical Society","2017","139","27","9156","9159","10.1021/jacs.7b05335","","x-ray","0.71073","MoKα","","0.0417","0.0361","","","0.0843","0.0864","","","","","","1.095","","","","has coordinates","241633","2020-10-21","18:00:00",""
"4131430","14.2099","0.0003","18.1022","0.0003","24.359","0.0005","83.7821","0.0015","77.6045","0.0017","80.4089","0.0015","6017.1","0.2","150","","150","","","","","","","","","5","P -1","-P 1","2","","(NacNacNMe2)Sc{NHB(NiPr)2C6H4}2","","- C45 H71 B2 N9 Sc -","- C45 H71 B2 N9 Sc -","- C180 H284 B8 N36 Sc4 -","4","2","","Clough, Benjamin A.; Mellino, Simona; Clot, Eric; Mountford, Philip","New Scandium Borylimido Chemistry: Synthesis, Bonding, and Reactivity.","Journal of the American Chemical Society","2017","139","32","11165","11183","10.1021/jacs.7b05405","","","1.5418","CuKα","","0.0789","0.0655","","0.0977","0.0784","0.0756","","","","","","1.0956","","","","has coordinates","241634","2020-10-21","18:00:00",""
"4131431","13.336","0.0004","12.8387","0.0005","19.8156","0.0005","90","","101.401","0.003","90","","3325.82","0.19","150","","150","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","[{u-MeC(N(Dipp)CHC(CH2-)(NCH2CH2NMe2}Sc{NHB(NiPr)2C6H4}]2","","- C66 H104 B2 N12 Sc2 -","- C66 H104 B2 N12 Sc2 -","- C132 H208 B4 N24 Sc4 -","2","0.5","","Clough, Benjamin A.; Mellino, Simona; Clot, Eric; Mountford, Philip","New Scandium Borylimido Chemistry: Synthesis, Bonding, and Reactivity.","Journal of the American Chemical Society","2017","139","32","11165","11183","10.1021/jacs.7b05405","","","1.54184","CuKα","","0.0576","0.0503","","0.0682","0.0587","0.0572","","","","","","1.1239","","","","has coordinates","241634","2020-10-21","18:00:00",""
"4131432","12.5904","0.0004","13.5664","0.0003","18.3909","0.0005","104.758","0.002","99.499","0.002","106.159","0.002","2821.95","0.15","150","","150","","","","","","","","","5","P -1","-P 1","2","","(NacNacNMe2)Sc(Me){NHB(NDippCH)2}","","- C48 H74 B N6 Sc -","- C48 H74 B N6 Sc -","- C96 H148 B2 N12 Sc2 -","2","1","","Clough, Benjamin A.; Mellino, Simona; Clot, Eric; Mountford, Philip","New Scandium Borylimido Chemistry: Synthesis, Bonding, and Reactivity.","Journal of the American Chemical Society","2017","139","32","11165","11183","10.1021/jacs.7b05405","","","1.5418","CuKα","","0.0417","0.0392","","0.025","0.0241","0.0238","","","","","","1.0447","","","","has coordinates","241634","2020-10-21","18:00:00",""
"4131433","24.865","0.0007","43.9807","0.0009","11.0806","0.0003","90","","122.244","0.004","90","","10248.8","0.6","150","","150","","","","","","","","","5","P 1 21/a 1","-P 2yab","14","","{MeC(NC6H3iPrCH(Me)CH2)CHC(Me)(NCH2CH2NMe}Sc{NHB(NDippCH)2}","","- C47 H70 B N6 Sc -","- C47 H70 B N6 Sc -","- C376 H560 B8 N48 Sc8 -","8","2","","Clough, Benjamin A.; Mellino, Simona; Clot, Eric; Mountford, Philip","New Scandium Borylimido Chemistry: Synthesis, Bonding, and Reactivity.","Journal of the American Chemical Society","2017","139","32","11165","11183","10.1021/jacs.7b05405","","","1.5418","CuKα","","0.0852","0.0781","","0.0773","0.0755","0.0746","","","","","","1.045","","","","has coordinates,has disorder","241634","2020-10-21","18:00:00",""
"4131434","11.5957","0.0001","38.8679","0.0003","12.4206","0.0001","90","","109.223","0.0009","90","","5285.85","0.08","150","","150","","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","(NacNacNMe2)Sc{N(B(NDippCH)2)C(Me)C(Ph)}","","- C56 H78 B N6 Sc -","- C56 H78 B N6 Sc -","- C224 H312 B4 N24 Sc4 -","4","1","","Clough, Benjamin A.; Mellino, Simona; Clot, Eric; Mountford, Philip","New Scandium Borylimido Chemistry: Synthesis, Bonding, and Reactivity.","Journal of the American Chemical Society","2017","139","32","11165","11183","10.1021/jacs.7b05405","","","1.5418","CuKα","","0.035","0.0345","","0.0157","0.0157","0.0156","","","","","","1.0262","","","","has coordinates","241634","2020-10-21","18:00:00",""
"4131435","7.8083","0.0011","7.8083","0.0011","37.905","0.008","90","","90","","120","","2001.4","0.6","293","2","293","2","","","","","","","","4","R -3 :H","-R 3","148","","","","- Cs4 P4 Se12 Sn -","- Cs4 P3.96 Se11.988 Sn -","- Cs12 P11.88 Se35.964 Sn3 -","3","0.166667","","Haynes, Alyssa S.; Stoumpos, Constantinos C.; Chen, Haijie; Chica, Daniel; Kanatzidis, Mercouri G.","Panoramic Synthesis as an Effective Materials Discovery Tool: The System Cs/Sn/P/Se as a Test Case.","Journal of the American Chemical Society","2017","139","31","10814","10821","10.1021/jacs.7b05423","","","0.71073","MoKα","","0.093","0.0566","","","0.1085","0.1241","","","","","","1.054","","","","has coordinates","241635","2020-10-21","18:00:00",""
"4131436","10.2296","0.0014","12.9904","0.0011","10.9495","0.0015","90","","94.529","0.011","90","","1450.5","0.3","293","","293","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- Cs2 P2 Se6 Sn -","- Cs2 P2 Se6 Sn -","- Cs8 P8 Se24 Sn4 -","4","1","","Haynes, Alyssa S.; Stoumpos, Constantinos C.; Chen, Haijie; Chica, Daniel; Kanatzidis, Mercouri G.","Panoramic Synthesis as an Effective Materials Discovery Tool: The System Cs/Sn/P/Se as a Test Case.","Journal of the American Chemical Society","2017","139","31","10814","10821","10.1021/jacs.7b05423","","x-ray","0.71073","MoKα","","0.0973","0.0691","","","0.1456","0.1488","","","","3.71","3.71","3.17","","","","has coordinates","241635","2020-10-21","18:00:00",""
"4131437","7.6953","0.0011","7.6953","0.0011","18.797","0.004","90","","90","","120","","964","0.3","293","2","293","2","","","","","","","","4","P -3 m 1","-P 3 2""","164","","","","- Cs4 P4 Se20 Sn5 -","- Cs4 P3.96 Se20.06 Sn5 -","- Cs4 P3.96 Se20.06 Sn5 -","1","0.0833333","","Haynes, Alyssa S.; Stoumpos, Constantinos C.; Chen, Haijie; Chica, Daniel; Kanatzidis, Mercouri G.","Panoramic Synthesis as an Effective Materials Discovery Tool: The System Cs/Sn/P/Se as a Test Case.","Journal of the American Chemical Society","2017","139","31","10814","10821","10.1021/jacs.7b05423","","","0.71073","MoKα","","0.0473","0.0397","","","0.0837","0.0865","","","","","","1.238","","","","has coordinates","241635","2020-10-21","18:00:00",""
"4131438","67.017","0.003","31.4138","0.0015","32.1376","0.0017","90","","90","","90","","67658","6","100","2","100","2","","","","","","","","6","P b c n","-P 2n 2ab","60","","","","- C586 H580 Cl18 N66 O100.2 Ru6 -","- C586 H580 Cl18 N66 O100.2 Ru6 -","- C2344 H2320 Cl72 N264 O400.8 Ru24 -","4","0.5","","Korom, Saša; Ballester, Pablo","Attachment of a Ru<sup>II</sup> Complex to a Self-Folding Hexaamide Deep Cavitand.","Journal of the American Chemical Society","2017","139","35","12109","12112","10.1021/jacs.7b05458","","","0.71073","MoKα","","0.1581","0.1203","","","0.3444","0.3671","","","","","","1.306","","","","has coordinates,has disorder","241636","2020-10-21","18:00:00",""
"4131439","15.653","0.0014","16.8518","0.0017","21.323","0.003","97.556","0.004","101.633","0.004","117.144","0.003","4738.4","0.9","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","","","- C97 H93 Cl6 N11 O14 -","- C97 H93 Cl6 N11 O14 -","- C194 H186 Cl12 N22 O28 -","2","1","","Korom, Saša; Ballester, Pablo","Attachment of a Ru<sup>II</sup> Complex to a Self-Folding Hexaamide Deep Cavitand.","Journal of the American Chemical Society","2017","139","35","12109","12112","10.1021/jacs.7b05458","","","0.71073","MoKα","","0.1543","0.1114","","","0.3108","0.3323","","","","","","1.962","","","","has coordinates,has disorder","241637","2020-10-21","18:00:00",""
"4131440","15.4705","0.0005","18.2238","0.0005","46.4128","0.0014","90","","90","","90","","13085.2","0.7","100","0.1","100","0.1","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C136 H182 Br N O12 -","- C136 H182 Br N O12 -","- C544 H728 Br4 N4 O48 -","4","1","","Gropp, Cornelius; Husch, Tamara; Trapp, Nils; Reiher, Markus; Diederich, François","Dispersion and Halogen-Bonding Interactions: Binding of the Axial Conformers of Monohalo- and (±)-trans-1,2-Dihalocyclohexanes in Enantiopure Alleno-Acetylenic Cages.","Journal of the American Chemical Society","2017","139","35","12190","12200","10.1021/jacs.7b05461","","x-ray","1.54178","CuKα","","0.0533","0.0476","","","0.1218","0.126","","","","","","1.068","","","","has coordinates,has disorder","241638","2020-10-21","18:00:00",""
"4131441","15.4726","0.0002","18.2043","0.0003","46.434","0.0007","90","","90","","90","","13079","0.3","100","0.2","100","0.2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C136 H182 Cl N O12 -","- C136 H182 Cl N O12 -","- C544 H728 Cl4 N4 O48 -","4","1","","Gropp, Cornelius; Husch, Tamara; Trapp, Nils; Reiher, Markus; Diederich, François","Dispersion and Halogen-Bonding Interactions: Binding of the Axial Conformers of Monohalo- and (±)-trans-1,2-Dihalocyclohexanes in Enantiopure Alleno-Acetylenic Cages.","Journal of the American Chemical Society","2017","139","35","12190","12200","10.1021/jacs.7b05461","","x-ray","1.54178","CuKα","","0.0624","0.0499","","","0.1201","0.1276","","","","","","1.029","","","","has coordinates,has disorder","241639","2020-10-21","18:00:00",""
"4131442","15.6487","0.0004","18.7136","0.0004","43.2272","0.001","90","","90","","90","","12658.8","0.5","100","0.1","100","0.1","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C130.37 H171.94 Br0.4 F0.4 O12 -","- C130.364 H171.94 Br0.394 F0.394 O12 -","- C521.456 H687.76 Br1.576 F1.576 O48 -","4","1","","Gropp, Cornelius; Husch, Tamara; Trapp, Nils; Reiher, Markus; Diederich, François","Dispersion and Halogen-Bonding Interactions: Binding of the Axial Conformers of Monohalo- and (±)-trans-1,2-Dihalocyclohexanes in Enantiopure Alleno-Acetylenic Cages.","Journal of the American Chemical Society","2017","139","35","12190","12200","10.1021/jacs.7b05461","","x-ray","1.54184","CuKα","","0.0846","0.0572","","","0.1366","0.1499","","","","","","1.027","","","","has coordinates,has disorder","241640","2020-10-21","18:00:00",""
"4131443","46.4365","0.0004","18.25356","0.00012","15.48278","0.0001","90","","90","","90","","13123.7","0.17","100","0.1","100","0.1","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C136 H181 Cl2 N O12 -","- C136 H181 Cl2 N O12 -","- C544 H724 Cl8 N4 O48 -","4","1","","Gropp, Cornelius; Husch, Tamara; Trapp, Nils; Reiher, Markus; Diederich, François","Dispersion and Halogen-Bonding Interactions: Binding of the Axial Conformers of Monohalo- and (±)-trans-1,2-Dihalocyclohexanes in Enantiopure Alleno-Acetylenic Cages.","Journal of the American Chemical Society","2017","139","35","12190","12200","10.1021/jacs.7b05461","","x-ray","1.54184","CuKα","","0.0788","0.0729","","","0.216","0.223","","","","","","1.031","","","","has coordinates,has disorder","241641","2020-10-21","18:00:00",""
"4131444","15.6223","0.0002","18.7222","0.0003","43.2981","0.0007","90","","90","","90","","12664","0.3","100","0.1","100","0.1","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C130.29 H171.82 Br0.38 F0.38 O12 -","- C130.292 H171.82 Br0.382 F0.382 O12 -","- C521.168 H687.28 Br1.528 F1.528 O48 -","4","1","","Gropp, Cornelius; Husch, Tamara; Trapp, Nils; Reiher, Markus; Diederich, François","Dispersion and Halogen-Bonding Interactions: Binding of the Axial Conformers of Monohalo- and (±)-trans-1,2-Dihalocyclohexanes in Enantiopure Alleno-Acetylenic Cages.","Journal of the American Chemical Society","2017","139","35","12190","12200","10.1021/jacs.7b05461","","x-ray","1.54184","CuKα","","0.1199","0.0771","","","0.1918","0.2152","","","","","","1.013","","","","has coordinates,has disorder","241642","2020-10-21","18:00:00",""
"4131445","15.4705","0.0003","18.2782","0.0003","46.1154","0.001","90","","90","","90","","13040.2","0.4","100","0.2","100","0.2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C136 H182 F N O12 -","- C136 H182 F N O12 -","- C544 H728 F4 N4 O48 -","4","1","","Gropp, Cornelius; Husch, Tamara; Trapp, Nils; Reiher, Markus; Diederich, François","Dispersion and Halogen-Bonding Interactions: Binding of the Axial Conformers of Monohalo- and (±)-trans-1,2-Dihalocyclohexanes in Enantiopure Alleno-Acetylenic Cages.","Journal of the American Chemical Society","2017","139","35","12190","12200","10.1021/jacs.7b05461","","x-ray","1.54178","CuKα","","0.0865","0.0692","","","0.1721","0.1812","","","","","","1.375","","","","has coordinates,has disorder","241643","2020-10-21","18:00:00",""
"4131446","15.4629","0.0001","18.2211","0.0001","46.7056","0.0003","90","","90","","90","","13159.3","0.14","100","0.1","100","0.1","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C136 H181 Br2 N O12 -","- C136 H181 Br2 N O12 -","- C544 H724 Br8 N4 O48 -","4","1","","Gropp, Cornelius; Husch, Tamara; Trapp, Nils; Reiher, Markus; Diederich, François","Dispersion and Halogen-Bonding Interactions: Binding of the Axial Conformers of Monohalo- and (±)-trans-1,2-Dihalocyclohexanes in Enantiopure Alleno-Acetylenic Cages.","Journal of the American Chemical Society","2017","139","35","12190","12200","10.1021/jacs.7b05461","","x-ray","1.54184","CuKα","","0.0568","0.0489","","","0.1294","0.1361","","","","","","1.042","","","","has coordinates,has disorder","241644","2020-10-21","18:00:00",""
"4131447","15.4654","0.0002","18.2121","0.0002","46.7197","0.0005","90","","90","","90","","13158.9","0.3","100","0.1","100","0.1","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C136 H181 Cl2 N O12 -","- C136 H181 Cl2 N O12 -","- C544 H724 Cl8 N4 O48 -","4","1","","Gropp, Cornelius; Husch, Tamara; Trapp, Nils; Reiher, Markus; Diederich, François","Dispersion and Halogen-Bonding Interactions: Binding of the Axial Conformers of Monohalo- and (±)-trans-1,2-Dihalocyclohexanes in Enantiopure Alleno-Acetylenic Cages.","Journal of the American Chemical Society","2017","139","35","12190","12200","10.1021/jacs.7b05461","","x-ray","1.54184","CuKα","","0.0787","0.0542","","","0.119","0.1587","","","","","","1.115","","","","has coordinates,has disorder","241645","2020-10-21","18:00:00",""
"4131448","15.4505","0.0001","18.1775","0.0002","46.8762","0.0004","90","","90","","90","","13165.2","0.2","100","0.1","100","0.1","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C136 H181 Br2 N O12 -","- C136 H181 Br2 N O12 -","- C544 H724 Br8 N4 O48 -","4","1","","Gropp, Cornelius; Husch, Tamara; Trapp, Nils; Reiher, Markus; Diederich, François","Dispersion and Halogen-Bonding Interactions: Binding of the Axial Conformers of Monohalo- and (±)-trans-1,2-Dihalocyclohexanes in Enantiopure Alleno-Acetylenic Cages.","Journal of the American Chemical Society","2017","139","35","12190","12200","10.1021/jacs.7b05461","","x-ray","1.54184","CuKα","","0.0405","0.0354","","","0.0863","0.0887","","","","","","1.023","","","","has coordinates,has disorder","241646","2020-10-21","18:00:00",""
"4131449","15.4375","0.0001","18.2003","0.0001","46.462","0.0003","90","","90","","90","","13054.3","0.14","100","0.1","100","0.1","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C136 H182 I N O12 -","- C136 H182 I N O12 -","- C544 H728 I4 N4 O48 -","4","1","","Gropp, Cornelius; Husch, Tamara; Trapp, Nils; Reiher, Markus; Diederich, François","Dispersion and Halogen-Bonding Interactions: Binding of the Axial Conformers of Monohalo- and (±)-trans-1,2-Dihalocyclohexanes in Enantiopure Alleno-Acetylenic Cages.","Journal of the American Chemical Society","2017","139","35","12190","12200","10.1021/jacs.7b05461","","x-ray","1.54184","CuKα","","0.0497","0.0446","","","0.1194","0.1233","","","","","","1.045","","","","has coordinates,has disorder","241647","2020-10-21","18:00:00",""
"4131450","15.4969","0.0001","18.2403","0.0001","46.6272","0.0003","90","","90","","90","","13180","0.14","100","0.1","100","0.1","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C138 H187 N O12 -","- C138 H187 N O12 -","- C552 H748 N4 O48 -","4","1","","Gropp, Cornelius; Husch, Tamara; Trapp, Nils; Reiher, Markus; Diederich, François","Dispersion and Halogen-Bonding Interactions: Binding of the Axial Conformers of Monohalo- and (±)-trans-1,2-Dihalocyclohexanes in Enantiopure Alleno-Acetylenic Cages.","Journal of the American Chemical Society","2017","139","35","12190","12200","10.1021/jacs.7b05461","","x-ray","1.54184","CuKα","","0.0807","0.057","","","0.1351","0.1826","","","","","","1.128","","","","has coordinates,has disorder","241648","2020-10-21","18:00:00",""
"4131451","9.779","0.003","16.542","0.006","6.543","0.003","90","","90","","90","","1058.4","0.7","100","2","100","2","","","","","","","","4","F m m 2","F 2 -2","42","","","","- C14 H12 N P -","- C14 H11 N0.5 P0.5 -","- C56 H44 N2 P2 -","4","0.25","","Transue, Wesley J.; Velian, Alexandra; Nava, Matthew; García-Iriepa, Cristina; Temprado, Manuel; Cummins, Christopher C.","Mechanism and Scope of Phosphinidene Transfer from Dibenzo-7-phosphanorbornadiene Compounds.","Journal of the American Chemical Society","2017","139","31","10822","10831","10.1021/jacs.7b05464","","","0.71073","MoKα","","0.0414","0.0361","","","0.0879","0.0908","","","","","","1.058","","","","has coordinates,has disorder","241649","2020-10-21","18:00:00",""
"4131452","21.9571","0.0006","11.9882","0.0003","4.8706","0.0001","90","","90","","90","","1282.07","0.05","100","2","100","2","","","","","","","","4","P n m a","-P 2ac 2n","62","","","","- C13 H24 N P -","- C13 H24 N P -","- C52 H96 N4 P4 -","4","0.5","","Transue, Wesley J.; Velian, Alexandra; Nava, Matthew; García-Iriepa, Cristina; Temprado, Manuel; Cummins, Christopher C.","Mechanism and Scope of Phosphinidene Transfer from Dibenzo-7-phosphanorbornadiene Compounds.","Journal of the American Chemical Society","2017","139","31","10822","10831","10.1021/jacs.7b05464","","","0.71073","MoKα","","0.0327","0.0303","","","0.0836","0.0863","","","","","","1.064","","","","has coordinates,has disorder","241650","2020-10-21","18:00:00",""
"4131453","9.9421","0.0017","18.521","0.003","10.742","0.0019","90","","90","","90","","1978","0.6","123","2","123","2","","","","","","","","2","P b c n","-P 2n 2ab","60","","","","- C28 H27 -","- C28 H27 -","- C112 H108 -","4","0.5","","Kushida, Tomokatsu; Shirai, Shusuke; Ando, Naoki; Okamoto, Toshihiro; Ishii, Hiroyuki; Matsui, Hiroyuki; Yamagishi, Masakazu; Uemura, Takafumi; Tsurumi, Junto; Watanabe, Shun; Takeya, Jun; Yamaguchi, Shigehiro","Boron-Stabilized Planar Neutral π-Radicals with Well-Balanced Ambipolar Charge-Transport Properties.","Journal of the American Chemical Society","2017","139","41","14336","14339","10.1021/jacs.7b05471","","","0.71075","MoKa","","0.0454","0.0411","","","0.1125","0.117","","","","","","1.053","","","","has coordinates","241651","2020-10-21","18:00:00",""
"4131454","11.072","0.003","10.956","0.003","11.177","0.003","90","","94.804","0.008","90","","1351.1","0.6","123","2","123","2","","","","","","","","3","P 1 21 1","P 2yb","4","","","","- C37 H34 B -","- C37 H34 B -","- C74 H68 B2 -","2","1","","Kushida, Tomokatsu; Shirai, Shusuke; Ando, Naoki; Okamoto, Toshihiro; Ishii, Hiroyuki; Matsui, Hiroyuki; Yamagishi, Masakazu; Uemura, Takafumi; Tsurumi, Junto; Watanabe, Shun; Takeya, Jun; Yamaguchi, Shigehiro","Boron-Stabilized Planar Neutral π-Radicals with Well-Balanced Ambipolar Charge-Transport Properties.","Journal of the American Chemical Society","2017","139","41","14336","14339","10.1021/jacs.7b05471","","","0.71075","MoKa","","0.0832","0.0354","","","0.0743","0.0842","","","","","","0.815","","","","has coordinates","241652","2020-10-21","18:00:00",""
"4131455","11.905","0.003","9.727","0.002","26.288","0.006","90","","90","","90","","3044.1","1.2","123","2","123","2","","","","","","","","3","P n a 21","P 2c -2n","33","","","","- C41 H42 B -","- C41 H42 B -","- C164 H168 B4 -","4","1","","Kushida, Tomokatsu; Shirai, Shusuke; Ando, Naoki; Okamoto, Toshihiro; Ishii, Hiroyuki; Matsui, Hiroyuki; Yamagishi, Masakazu; Uemura, Takafumi; Tsurumi, Junto; Watanabe, Shun; Takeya, Jun; Yamaguchi, Shigehiro","Boron-Stabilized Planar Neutral π-Radicals with Well-Balanced Ambipolar Charge-Transport Properties.","Journal of the American Chemical Society","2017","139","41","14336","14339","10.1021/jacs.7b05471","","","0.71075","MoKa","","0.1056","0.0589","","","0.1137","0.1362","","","","","","1.049","","","","has coordinates","241653","2020-10-21","18:00:00",""
"4131456","18.4342","0.001","19.3195","0.0012","21.7657","0.0012","90","","90","","90","","7751.6","0.8","150","2","150","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C37 H60 N2 Ni Si2 -","- C37 H60 N2 Ni Si2 -","- C296 H480 N16 Ni8 Si16 -","8","1","","Elsby, Matthew R.; Johnson, Samuel A.","Nickel-Catalyzed C-H Silylation of Arenes with Vinylsilanes: Rapid and Reversible β-Si Elimination.","Journal of the American Chemical Society","2017","139","27","9401","9407","10.1021/jacs.7b05574","","","0.71073","MoKα","","0.0768","0.0422","","","0.0847","0.0979","","","","","","1.019","","","","has coordinates","241654","2020-10-21","18:00:00",""
"4131457","11.9002","0.0017","11.0146","0.0015","18.542","0.002","90","","97.281","0.003","90","","2410.8","0.5","173","2","173","2","","","","","","","synthesized","5","P 1 21/c 1","-P 2ybc","14","","","","- C19 H40 N2 Ni Si2 -","- C19 H40 N2 Ni Si2 -","- C76 H160 N8 Ni4 Si8 -","4","1","","Elsby, Matthew R.; Johnson, Samuel A.","Nickel-Catalyzed C-H Silylation of Arenes with Vinylsilanes: Rapid and Reversible β-Si Elimination.","Journal of the American Chemical Society","2017","139","27","9401","9407","10.1021/jacs.7b05574","","x-ray","0.71073","MoKα","","0.0986","0.0762","","","0.1163","0.1247","","","","","","1.235","","","","has coordinates","241655","2020-10-21","18:00:00",""
"4131458","9.3283","0.0007","17.1662","0.0013","18.2968","0.0014","72.69","0.002","88.651","0.002","80.555","0.002","2758.3","0.4","293","2","293","2","","","","","","","synthesized","5","P -1","-P 1","2","","","","- C23 H44 N4 Ni Si -","- C23 H44 N4 Ni Si -","- C92 H176 N16 Ni4 Si4 -","4","2","","Elsby, Matthew R.; Johnson, Samuel A.","Nickel-Catalyzed C-H Silylation of Arenes with Vinylsilanes: Rapid and Reversible β-Si Elimination.","Journal of the American Chemical Society","2017","139","27","9401","9407","10.1021/jacs.7b05574","","x-ray","0.71073","MoKα","","0.0901","0.0492","","","0.0784","0.0889","","","","","","1.034","","","","has coordinates","241656","2020-10-21","18:00:00",""
"4131459","15.1112","0.0006","9.7018","0.0002","19.4687","0.0006","90","","105.319","0.004","90","","2752.81","0.16","125","","125","","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C29 H32 N2 O4 S -","- C29 H32 N2 O4 S -","- C116 H128 N8 O16 S4 -","4","2","","Spoehrle, Stéphanie S M; West, Thomas H.; Taylor, James E.; Slawin, Alexandra M. Z.; Smith, Andrew D.","Tandem Palladium and Isothiourea Relay Catalysis: Enantioselective Synthesis of α-Amino Acid Derivatives via Allylic Amination and [2,3]-Sigmatropic Rearrangement.","Journal of the American Chemical Society","2017","139","34","11895","11902","10.1021/jacs.7b05619","","","1.54187","CuKα","","0.0863","0.0667","","","0.1734","0.1997","","","","","","0.854","","","","has coordinates","241657","2020-10-21","18:00:00",""
"4131460","9.9648","0.0002","34.1529","0.0006","13.0537","0.0002","90","","106.465","0.001","90","","4260.35","0.13","150","0.1","150","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C10 H12 N4 Pd -","- C10 H12 N4 Pd -","- C160 H192 N64 Pd16 -","16","4","","Goudy, Violaine; Jaoul, Arnaud; Cordier, Marie; Clavaguéra, Carine; Nocton, Grégory","Tuning the Stability of Pd(IV) Intermediates Using a Redox Non-innocent Ligand Combined with an Organolanthanide Fragment.","Journal of the American Chemical Society","2017","139","31","10633","10636","10.1021/jacs.7b05634","","","0.71069","MoKα","","0.0523","0.0423","","","0.1038","0.1087","","","","","","1.07","","","","has coordinates","241658","2020-10-21","18:00:00",""
"4131461","10.6656","0.0004","19.2667","0.0008","16.5845","0.0006","90","","90.872","0.002","90","","3407.6","0.2","150","2","150","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C12 H12 N4 Pd -","- C12 H12 N4 Pd -","- C144 H144 N48 Pd12 -","12","1.5","","Goudy, Violaine; Jaoul, Arnaud; Cordier, Marie; Clavaguéra, Carine; Nocton, Grégory","Tuning the Stability of Pd(IV) Intermediates Using a Redox Non-innocent Ligand Combined with an Organolanthanide Fragment.","Journal of the American Chemical Society","2017","139","31","10633","10636","10.1021/jacs.7b05634","","x-ray","0.71073","MoKα","","0.0607","0.0496","","","0.1185","0.1345","","","","","","1.244","","","","has coordinates","241658","2020-10-21","18:00:00",""
"4131462","9.5134","0.0005","10.8285","0.0005","16.8791","0.0009","103.211","0.002","94.076","0.002","93.172","0.002","1683.92","0.15","150","0.1","150","2","","","","","","","","5","P -1","-P 1","2","","","","- C37 H50 N4 Pd Yb -","- C37 H50 N4 Pd Yb -","- C74 H100 N8 Pd2 Yb2 -","2","1","","Goudy, Violaine; Jaoul, Arnaud; Cordier, Marie; Clavaguéra, Carine; Nocton, Grégory","Tuning the Stability of Pd(IV) Intermediates Using a Redox Non-innocent Ligand Combined with an Organolanthanide Fragment.","Journal of the American Chemical Society","2017","139","31","10633","10636","10.1021/jacs.7b05634","","","0.71069","MoKα","","0.0152","0.0149","","","0.0401","0.0403","","","","","","1.012","","","","has coordinates,has disorder","241658","2020-10-21","18:00:00",""
"4131463","10.2105","0.0003","16.5219","0.0006","21.1056","0.0005","90","","90.146","0.002","90","","3560.44","0.19","150","0.1","150","0.1","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C32 H42 N4 Pd Yb -","- C32 H42 N4 Pd Yb -","- C128 H168 N16 Pd4 Yb4 -","4","1","","Goudy, Violaine; Jaoul, Arnaud; Cordier, Marie; Clavaguéra, Carine; Nocton, Grégory","Tuning the Stability of Pd(IV) Intermediates Using a Redox Non-innocent Ligand Combined with an Organolanthanide Fragment.","Journal of the American Chemical Society","2017","139","31","10633","10636","10.1021/jacs.7b05634","","","0.71069","MoKα","","0.0704","0.0561","","","0.1249","0.134","","","","","","1.083","","","","has coordinates","241658","2020-10-21","18:00:00",""
"4131464","13.4366","0.0004","17.8758","0.0003","19.6295","0.0005","90","","108.193","0.001","90","","4479.12","0.19","150","0.1","150","0.1","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C36 H51 I N4 O Pd Yb -","- C36 H51 I N4 O Pd Yb -","- C144 H204 I4 N16 O4 Pd4 Yb4 -","4","1","","Goudy, Violaine; Jaoul, Arnaud; Cordier, Marie; Clavaguéra, Carine; Nocton, Grégory","Tuning the Stability of Pd(IV) Intermediates Using a Redox Non-innocent Ligand Combined with an Organolanthanide Fragment.","Journal of the American Chemical Society","2017","139","31","10633","10636","10.1021/jacs.7b05634","","","0.71069","MoKα","","0.0481","0.0409","","","0.1108","0.1168","","","","","","1.052","","","","has coordinates","241658","2020-10-21","18:00:00",""
"4131465","10.4545","0.0005","17.5951","0.0007","13.9967","0.0008","90","","110.081","0.002","90","","2418.1","0.2","150","0.1","150","0.1","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C22 H18 I2 N8 Pd2 -","- C22 H18 I2 N8 Pd2 -","- C88 H72 I8 N32 Pd8 -","4","1","","Goudy, Violaine; Jaoul, Arnaud; Cordier, Marie; Clavaguéra, Carine; Nocton, Grégory","Tuning the Stability of Pd(IV) Intermediates Using a Redox Non-innocent Ligand Combined with an Organolanthanide Fragment.","Journal of the American Chemical Society","2017","139","31","10633","10636","10.1021/jacs.7b05634","","","0.71069","MoKα","","0.1032","0.0823","","","0.1975","0.215","","","","","","1.08","","","","has coordinates,has disorder","241658","2020-10-21","18:00:00",""
"4131466","27.1623","0.0009","12.2012","0.0005","15.2011","0.0005","90","","90","","90","","5037.8","0.3","150","0.1","150","2","","","","","","","","6","P n m a","-P 2ac 2n","62","","","","- C52 H69 I N4 Pd Yb -","- C31 H45 I N4 Pd Yb -","- C124 H180 I4 N16 Pd4 Yb4 -","4","0.5","","Goudy, Violaine; Jaoul, Arnaud; Cordier, Marie; Clavaguéra, Carine; Nocton, Grégory","Tuning the Stability of Pd(IV) Intermediates Using a Redox Non-innocent Ligand Combined with an Organolanthanide Fragment.","Journal of the American Chemical Society","2017","139","31","10633","10636","10.1021/jacs.7b05634","","","0.71069","MoKα","","0.0548","0.0412","","","0.116","0.1224","","","","","","1.052","","","","has coordinates","241658","2020-10-21","18:00:00",""
"4131467","6.936","0.0003","14.4872","0.0007","14.8067","0.0006","90","","94.349","0.003","90","","1483.54","0.11","150","0.1","150","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C13 H15 I N4 Pd -","- C13 H15 I N4 Pd -","- C52 H60 I4 N16 Pd4 -","4","1","","Goudy, Violaine; Jaoul, Arnaud; Cordier, Marie; Clavaguéra, Carine; Nocton, Grégory","Tuning the Stability of Pd(IV) Intermediates Using a Redox Non-innocent Ligand Combined with an Organolanthanide Fragment.","Journal of the American Chemical Society","2017","139","31","10633","10636","10.1021/jacs.7b05634","","","0.71069","MoKα","","0.0737","0.0439","","","0.0947","0.1067","","","","","","1.005","","","","has coordinates","241658","2020-10-21","18:00:00",""
"4131468","14.897","0.0007","8.3746","0.0004","11.6722","0.0006","90","","105.645","0.002","90","","1402.23","0.12","150","0.1","150","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C11 H15 I N4 Pd -","- C11 H15 I N4 Pd -","- C44 H60 I4 N16 Pd4 -","4","1","","Goudy, Violaine; Jaoul, Arnaud; Cordier, Marie; Clavaguéra, Carine; Nocton, Grégory","Tuning the Stability of Pd(IV) Intermediates Using a Redox Non-innocent Ligand Combined with an Organolanthanide Fragment.","Journal of the American Chemical Society","2017","139","31","10633","10636","10.1021/jacs.7b05634","","","0.71069","MoKα","","0.0338","0.0291","","","0.0775","0.0817","","","","","","1.037","","","","has coordinates","241658","2020-10-21","18:00:00",""
"4131469","7.912","0.002","11.836","0.003","13.51","0.004","81.434","0.008","88.885","0.009","78.74","0.006","1226.9","0.6","93","","93","","","","","","","","","5","P 1","P 1","1","","","","- C19 H30 N2 S2 Si4 -","- C19 H30 N2 S2 Si4 -","- C38 H60 N4 S4 Si8 -","2","2","","Shimada, Masaki; Yamanoi, Yoshinori; Ohto, Tatsuhiko; Pham, Song-Toan; Yamada, Ryo; Tada, Hirokazu; Omoto, Kenichiro; Tashiro, Shohei; Shionoya, Mitsuhiko; Hattori, Mineyuki; Jimura, Keiko; Hayashi, Shigenobu; Koike, Hikaru; Iwamura, Munetaka; Nozaki, Koichi; Nishihara, Hiroshi","Multifunctional Octamethyltetrasila[2.2]cyclophanes: Conformational Variations, Circularly Polarized Luminescence, and Organic Electroluminescence.","Journal of the American Chemical Society","2017","139","32","11214","11221","10.1021/jacs.7b05671","","","0.71075","MoKα","","","0.0406","","","","0.1034","","","","","","1.044","","","","has coordinates","241659","2020-10-21","18:00:00",""
"4131470","8.156","0.004","13.965","0.006","22.5205","0.001","90","","94.157","0.008","90","","2558.3","1.7","93","","93","","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C20 H30 N2 O2 S2 Si4 -","- C20 H26 N2 O2 S2 Si4 -","- C80 H104 N8 O8 S8 Si16 -","4","1","","Shimada, Masaki; Yamanoi, Yoshinori; Ohto, Tatsuhiko; Pham, Song-Toan; Yamada, Ryo; Tada, Hirokazu; Omoto, Kenichiro; Tashiro, Shohei; Shionoya, Mitsuhiko; Hattori, Mineyuki; Jimura, Keiko; Hayashi, Shigenobu; Koike, Hikaru; Iwamura, Munetaka; Nozaki, Koichi; Nishihara, Hiroshi","Multifunctional Octamethyltetrasila[2.2]cyclophanes: Conformational Variations, Circularly Polarized Luminescence, and Organic Electroluminescence.","Journal of the American Chemical Society","2017","139","32","11214","11221","10.1021/jacs.7b05671","","","0.71075","MoKα","","","0.0501","","","","0.1128","","","","","","1.097","","","","has coordinates","241660","2020-10-21","18:00:00",""
"4131471","23.3109","0.0009","23.5067","0.0008","24.241","0.0009","111.063","0.0009","100.297","0.001","92.7909","0.0011","12103.5","0.8","93","","93","","","","","","","","","10","P -1","-P 1","2","","","","- C251 H234 Ag4 Cl6 F24 N8 O6 S4 Sb4 Si8 -","- C251 H234 Ag4 Cl6 F24 N8 O6 S4 Sb4 Si8 -","- C502 H468 Ag8 Cl12 F48 N16 O12 S8 Sb8 Si16 -","2","1","","Shimada, Masaki; Yamanoi, Yoshinori; Ohto, Tatsuhiko; Pham, Song-Toan; Yamada, Ryo; Tada, Hirokazu; Omoto, Kenichiro; Tashiro, Shohei; Shionoya, Mitsuhiko; Hattori, Mineyuki; Jimura, Keiko; Hayashi, Shigenobu; Koike, Hikaru; Iwamura, Munetaka; Nozaki, Koichi; Nishihara, Hiroshi","Multifunctional Octamethyltetrasila[2.2]cyclophanes: Conformational Variations, Circularly Polarized Luminescence, and Organic Electroluminescence.","Journal of the American Chemical Society","2017","139","32","11214","11221","10.1021/jacs.7b05671","","","0.71075","MoKα","","0.1799","0.1052","","","0.2923","0.3406","","","","","","1.056","","","","has coordinates","241661","2020-10-21","18:00:00",""
"4131472","8.327","0.005","11.182","0.006","14.842","0.009","74.592","0.016","88.77","0.03","79.46","0.03","1309.3","1.3","113","","113","","","","","","","","","5","P -1","-P 1","2","","","","- C20 H32 N2 S2 Si4 -","- C20 H32 N2 S2 Si4 -","- C40 H64 N4 S4 Si8 -","2","1","","Shimada, Masaki; Yamanoi, Yoshinori; Ohto, Tatsuhiko; Pham, Song-Toan; Yamada, Ryo; Tada, Hirokazu; Omoto, Kenichiro; Tashiro, Shohei; Shionoya, Mitsuhiko; Hattori, Mineyuki; Jimura, Keiko; Hayashi, Shigenobu; Koike, Hikaru; Iwamura, Munetaka; Nozaki, Koichi; Nishihara, Hiroshi","Multifunctional Octamethyltetrasila[2.2]cyclophanes: Conformational Variations, Circularly Polarized Luminescence, and Organic Electroluminescence.","Journal of the American Chemical Society","2017","139","32","11214","11221","10.1021/jacs.7b05671","","","0.7107","MoKα","","","0.0798","","","","0.2085","","","","","","1.09","","","","has coordinates","241662","2020-10-21","18:00:00",""
"4131473","6.8068","0.0005","13.8764","0.001","11.7221","0.0008","90","","97.501","0.005","90","","1097.72","0.14","113","","113","","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C16 H28 S2 Si4 -","- C16 H28 S2 Si4 -","- C32 H56 S4 Si8 -","2","0.5","","Shimada, Masaki; Yamanoi, Yoshinori; Ohto, Tatsuhiko; Pham, Song-Toan; Yamada, Ryo; Tada, Hirokazu; Omoto, Kenichiro; Tashiro, Shohei; Shionoya, Mitsuhiko; Hattori, Mineyuki; Jimura, Keiko; Hayashi, Shigenobu; Koike, Hikaru; Iwamura, Munetaka; Nozaki, Koichi; Nishihara, Hiroshi","Multifunctional Octamethyltetrasila[2.2]cyclophanes: Conformational Variations, Circularly Polarized Luminescence, and Organic Electroluminescence.","Journal of the American Chemical Society","2017","139","32","11214","11221","10.1021/jacs.7b05671","","","0.7107","MoKα","","","0.0395","","","","0.083","","","","","","1.099","","","","has coordinates","241663","2020-10-21","18:00:00",""
"4131474","7.911","0.003","11.84","0.005","13.499","0.006","81.369","0.011","88.853","0.012","78.737","0.01","1226","0.9","93","","93","","","","","","","","","5","P 1","P 1","1","","","","- C19 H30 N2 S2 Si4 -","- C19 H30 N2 S2 Si4 -","- C38 H60 N4 S4 Si8 -","2","2","","Shimada, Masaki; Yamanoi, Yoshinori; Ohto, Tatsuhiko; Pham, Song-Toan; Yamada, Ryo; Tada, Hirokazu; Omoto, Kenichiro; Tashiro, Shohei; Shionoya, Mitsuhiko; Hattori, Mineyuki; Jimura, Keiko; Hayashi, Shigenobu; Koike, Hikaru; Iwamura, Munetaka; Nozaki, Koichi; Nishihara, Hiroshi","Multifunctional Octamethyltetrasila[2.2]cyclophanes: Conformational Variations, Circularly Polarized Luminescence, and Organic Electroluminescence.","Journal of the American Chemical Society","2017","139","32","11214","11221","10.1021/jacs.7b05671","","","0.71075","MoKα","","","0.0896","","","","0.2435","","","","","","1.055","","","","has coordinates","241664","2020-10-21","18:00:00",""
"4131475","8.437","0.003","11.874","0.004","23.696","0.008","90","","98.704","0.004","90","","2346.5","1.4","93","","93","","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C18 H28 N2 S2 Si4 -","- C18 H28 N2 S2 Si4 -","- C72 H112 N8 S8 Si16 -","4","1","","Shimada, Masaki; Yamanoi, Yoshinori; Ohto, Tatsuhiko; Pham, Song-Toan; Yamada, Ryo; Tada, Hirokazu; Omoto, Kenichiro; Tashiro, Shohei; Shionoya, Mitsuhiko; Hattori, Mineyuki; Jimura, Keiko; Hayashi, Shigenobu; Koike, Hikaru; Iwamura, Munetaka; Nozaki, Koichi; Nishihara, Hiroshi","Multifunctional Octamethyltetrasila[2.2]cyclophanes: Conformational Variations, Circularly Polarized Luminescence, and Organic Electroluminescence.","Journal of the American Chemical Society","2017","139","32","11214","11221","10.1021/jacs.7b05671","","","0.71075","MoKα","","0.0414","0.0364","","","0.0869","0.0904","","","","","","1.062","","","","has coordinates","241665","2020-10-21","18:00:00",""
"4131476","24.1978","0.0008","13.0182","0.0004","15.5051","0.0006","90","","120.318","0.0014","90","","4216.3","0.3","123","","123","","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C50 H62 Li2 O4 -","- C50 H62 Li2 O4 -","- C200 H248 Li8 O16 -","4","0.5","","Konishi, Akihito; Okada, Yui; Nakano, Motohiro; Sugisaki, Kenji; Sato, Kazunobu; Takui, Takeji; Yasuda, Makoto","Synthesis and Characterization of Dibenzo[a,f]pentalene: Harmonization of the Antiaromatic and Singlet Biradical Character.","Journal of the American Chemical Society","2017","139","43","15284","15287","10.1021/jacs.7b05709","","","1.54187","CuKα","","","0.1013","","","","0.1367","","","","","","1.078","","","","has coordinates","241666","2020-10-21","18:00:00",""
"4131477","22.1584","0.0008","8.1173","0.0003","15.404","0.0005","90","","108.436","0.002","90","","2628.46","0.16","123","","123","","","","","","","","","2","C 1 2/c 1","-C 2yc","15","","","","- C36 H34 -","- C36 H34 -","- C144 H136 -","4","0.5","","Konishi, Akihito; Okada, Yui; Nakano, Motohiro; Sugisaki, Kenji; Sato, Kazunobu; Takui, Takeji; Yasuda, Makoto","Synthesis and Characterization of Dibenzo[a,f]pentalene: Harmonization of the Antiaromatic and Singlet Biradical Character.","Journal of the American Chemical Society","2017","139","43","15284","15287","10.1021/jacs.7b05709","","","1.54187","CuKα","","","0.0953","","","","0.1358","","","","","","0.843","","","","has coordinates","241667","2020-10-21","18:00:00",""
"4131478","8.05357","0.00015","16.8194","0.0003","21.1151","0.0004","77.4803","0.0007","89.0213","0.0007","79.9661","0.0007","2748.82","0.09","123","","123","","","","","","","","","3","P -1","-P 1","2","","","","- C72.5 H69 Cl -","- C72.5 H69 Cl -","- C145 H138 Cl2 -","2","1","","Konishi, Akihito; Okada, Yui; Nakano, Motohiro; Sugisaki, Kenji; Sato, Kazunobu; Takui, Takeji; Yasuda, Makoto","Synthesis and Characterization of Dibenzo[a,f]pentalene: Harmonization of the Antiaromatic and Singlet Biradical Character.","Journal of the American Chemical Society","2017","139","43","15284","15287","10.1021/jacs.7b05709","","","1.54187","CuKα","","0.0674","0.0506","","","0.1391","0.1567","","","","","","1.132","","","","has coordinates,has disorder","241668","2020-10-21","18:00:00",""
"4131479","12.941","0.0007","12.5206","0.0008","16.3057","0.001","90","","106.164","0.0016","90","","2537.6","0.3","123","","123","","","","","","","","","2","P 1 21/n 1","-P 2yn","14","","","","- C34 H32 -","- C34 H32 -","- C136 H128 -","4","1","","Konishi, Akihito; Okada, Yui; Nakano, Motohiro; Sugisaki, Kenji; Sato, Kazunobu; Takui, Takeji; Yasuda, Makoto","Synthesis and Characterization of Dibenzo[a,f]pentalene: Harmonization of the Antiaromatic and Singlet Biradical Character.","Journal of the American Chemical Society","2017","139","43","15284","15287","10.1021/jacs.7b05709","","","0.71075","MoKα","","","0.0543","","","","0.0801","","","","","","2.014","","","","has coordinates","241669","2020-10-21","18:00:00",""
"4131480","12.8242","0.0002","16.9411","0.0003","19.1569","0.0003","76.451","0.001","83.436","0.001","69.514","0.001","3787.85","0.11","150.01","0.1","150.01","0.1","","","","","","","","8","P -1","-P 1","2","","","","- C82 H61 B F24 N O4 P2 Rh -","- C82 H61 B F24 N O4 P2 Rh -","- C164 H122 B2 F48 N2 O8 P4 Rh2 -","2","1","","Coxon, Thomas J.; Fernández, Maitane; Barwick-Silk, James; McKay, Alasdair I.; Britton, Louisa E.; Weller, Andrew S.; Willis, Michael C.","Exploiting Carbonyl Groups to Control Intermolecular Rhodium-Catalyzed Alkene and Alkyne Hydroacylation.","Journal of the American Chemical Society","2017","139","29","10142","10149","10.1021/jacs.7b05713","","x-ray","1.54184","CuKα","","0.0284","0.0272","","","0.0701","0.0713","","","","","","1.017","","","","has coordinates,has disorder","241670","2020-10-21","18:00:00",""
"4131481","6.8696","0.0003","8.582","0.0003","9.9548","0.0004","105.668","0.003","98.054","0.003","98.994","0.002","547.78","0.04","100","","99.97","","","","","","","","","3","P -1","-P 1","2","","","","- C17 H9 N -","- C17 H9 N -","- C34 H18 N2 -","2","1","","Cueny, Eric S.; Johnson, Heather C.; Anding, Bernie J.; Landis, Clark R.","Mechanistic Studies of Hafnium-Pyridyl Amido-Catalyzed 1-Octene Polymerization and Chain Transfer Using Quench-Labeling Methods.","Journal of the American Chemical Society","2017","139","34","11903","11912","10.1021/jacs.7b05729","","x-ray","1.54178","CuKα","K-L~3~","0.0374","0.0363","","","0.112","0.1136","","","","","","1.065","","","","has coordinates","241671","2020-10-21","18:00:00",""
"4131482","12.8398","0.0009","19.9194","0.0014","25.2286","0.0017","84.759","0.003","83.894","0.003","77.729","0.003","6253.6","0.8","150","","150","","","","","","","","","5","P -1","-P 1","2","[LCu(OOCm)][NEt4]","","","- C132 H184 Cu2 N8 O16 -","- C132 H184 Cu2 N8 O16 -","- C264 H368 Cu4 N16 O32 -","2","1","","Neisen, Benjamin D.; Gagnon, Nicole L.; Dhar, Debanjan; Spaeth, Andrew D.; Tolman, William B.","Formally Copper(III)-Alkylperoxo Complexes as Models of Possible Intermediates in Monooxygenase Enzymes.","Journal of the American Chemical Society","2017","139","30","10220","10223","10.1021/jacs.7b05754","","","1.54178","CuKα","","0.0605","0.0519","","","0.137","0.1469","","","","","","1.036","","","","has coordinates,has disorder","241672","2020-10-21","18:00:00",""
"4131483","10.9539","0.0002","13.0791","0.0002","15.0451","0.0003","90","","92.883","0.001","90","","2152.74","0.07","123","2","123","2","","","","","","","","5","P 1 2/n 1","-P 2yac","13","[LCu(OOtBu)][NEt4]","","","- C21.5 H33 Cu0.5 N2 O2.5 -","- C21.5 H33 Cu0.5 N2 O2.5 -","- C86 H132 Cu2 N8 O10 -","4","1","","Neisen, Benjamin D.; Gagnon, Nicole L.; Dhar, Debanjan; Spaeth, Andrew D.; Tolman, William B.","Formally Copper(III)-Alkylperoxo Complexes as Models of Possible Intermediates in Monooxygenase Enzymes.","Journal of the American Chemical Society","2017","139","30","10220","10223","10.1021/jacs.7b05754","","","1.54178","CuKα","","0.0697","0.058","","","0.1526","0.1626","","","","","","1.045","","","","has coordinates,has disorder","288473","2023-12-21","14:16:42",""
"4131484","31.3706","0.0016","31.5616","0.0016","33.5735","0.0015","65.91","0.002","67.466","0.002","62.464","0.003","26120","2","100","2","100","2","","","","","","","","8","P -1","-P 1","2","","","","- C526 H317 F24 Fe4 N48 Ni6 O24.5 S8 -","- C518.05 H311 F6.6 Fe4 N48 Ni6 O7.7 S2.3 -","- C1036.1 H622 F13.2 Fe8 N96 Ni12 O15.4 S4.6 -","2","1","","Rizzuto, Felix J.; Wood, Daniel M.; Ronson, Tanya K.; Nitschke, Jonathan R.","Tuning the Redox Properties of Fullerene Clusters within a Metal-Organic Capsule.","Journal of the American Chemical Society","2017","139","32","11008","11011","10.1021/jacs.7b05788","","","0.6889","synchrotron","","0.2004","0.131","","","0.3251","0.3751","","","","","","1.126","","","","has coordinates,has disorder","241674","2020-10-21","18:00:00",""
"4131485","38.8188","0.0008","38.8188","0.0008","111.372","0.003","90","","90","","120","","145342","6","100","2","100","2","","","","","","","","8","R -3 c :H","-R 3 2""c","167","","","","- C435 H344.5 B8 F32 Fe4 N54.5 Ni6 O13 -","- C434.995 H344.5 B3 F12 Fe4 N54.5001 Ni6 O13.0002 -","- C5219.94 H4134.01 B36 F144 Fe48 N654.001 Ni72 O156.002 -","12","0.333333","","Rizzuto, Felix J.; Wood, Daniel M.; Ronson, Tanya K.; Nitschke, Jonathan R.","Tuning the Redox Properties of Fullerene Clusters within a Metal-Organic Capsule.","Journal of the American Chemical Society","2017","139","32","11008","11011","10.1021/jacs.7b05788","","","0.6889","Synchrotron","","0.1546","0.1424","","","0.3763","0.3879","","","","","","1.148","","","","has coordinates,has disorder","241675","2020-10-21","18:00:00",""
"4131486","11.6264","0.0018","16.274","0.002","17.868","0.003","64.226","0.005","82.203","0.005","78.775","0.005","2981.2","0.8","100","2","100","2","","","","","","","","7","P -1","-P 1","2","WH","","","- C125 H138 Cl N4 P4 Pt2 S10 -","- C125 H138.008 Cl N4 P4 Pt2 S10 -","- C125 H138.008 Cl N4 P4 Pt2 S10 -","1","0.5","","He, Wenhan; Livshits, Maksim Y.; Dickie, Diane A.; Zhang, Zhen; Mejiaortega, Luis E.; Rack, Jeffrey J.; Wu, Qin; Qin, Yang","""Roller-Wheel""-Type Pt-Containing Small Molecules and the Impact of ""Rollers"" on Material Crystallinity, Electronic Properties, and Solar Cell Performance.","Journal of the American Chemical Society","2017","139","40","14109","14119","10.1021/jacs.7b05801","","","0.71073","MoKα","","0.1785","0.066","","","0.1335","0.1724","","","","","","0.974","","","","has coordinates,has disorder","241676","2020-10-21","18:00:00",""
"4131487","26.85","0.005","12.056","0.002","36.707","0.007","90","","109.18","0.03","90","","11223","4","120","2","120","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C44 H76 F6 N14 O7.5 -","- C44 H76 F6 N14 O7.5 -","- C352 H608 F48 N112 O60 -","8","4","","Bécart, Diane; Diemer, Vincent; Salaün, Arnaud; Oiarbide, Mikel; Nelli, Yella Reddy; Kauffmann, Brice; Fischer, Lucile; Palomo, Claudio; Guichard, Gilles","Helical Oligourea Foldamers as Powerful Hydrogen Bonding Catalysts for Enantioselective C-C Bond-Forming Reactions.","Journal of the American Chemical Society","2017","139","36","12524","12532","10.1021/jacs.7b05802","","","1.54178","CuKα","","0.0977","0.0656","","","0.152","0.1689","","","","","","0.966","","","","has coordinates","255262","2020-10-21","18:00:00",""
"4131488","12.085","0.002","16.11","0.003","16.872","0.003","108.71","0.03","104.35","0.03","97.82","0.03","2929.8","1.3","120","2","120","2","","","","","","","","6","P 1","P 1","1","","","","- C45 H79 F6 N14 O7 S -","- C45 H79 F6 N14 O7 S -","- C90 H158 F12 N28 O14 S2 -","2","2","","Bécart, Diane; Diemer, Vincent; Salaün, Arnaud; Oiarbide, Mikel; Nelli, Yella Reddy; Kauffmann, Brice; Fischer, Lucile; Palomo, Claudio; Guichard, Gilles","Helical Oligourea Foldamers as Powerful Hydrogen Bonding Catalysts for Enantioselective C-C Bond-Forming Reactions.","Journal of the American Chemical Society","2017","139","36","12524","12532","10.1021/jacs.7b05802","","","1.54178","CuKα","","0.0763","0.0754","","","0.1771","0.1795","","","","","","1.124","","","","has coordinates","241678","2020-10-21","18:00:00",""
"4131489","13.9547","0.0003","16.1574","0.0003","22.4255","0.0016","90","","90","","90","","5056.3","0.4","103","2","103","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C42 H85 N13 O9 -","- C42 H85 N13 O9 -","- C168 H340 N52 O36 -","4","1","","Bécart, Diane; Diemer, Vincent; Salaün, Arnaud; Oiarbide, Mikel; Nelli, Yella Reddy; Kauffmann, Brice; Fischer, Lucile; Palomo, Claudio; Guichard, Gilles","Helical Oligourea Foldamers as Powerful Hydrogen Bonding Catalysts for Enantioselective C-C Bond-Forming Reactions.","Journal of the American Chemical Society","2017","139","36","12524","12532","10.1021/jacs.7b05802","","","1.54187","CuKα","","0.0365","0.0343","","","0.0826","0.0844","","","","","","1.074","","","","has coordinates","241679","2020-10-21","18:00:00",""
"4131490","9.799","0.002","21.455","0.004","24.701","0.005","90","","90","","90","","5193.1","1.8","120","2","120","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C37 H64 F6 N12 O8 -","- C37 H64 F6 N12 O8 -","- C148 H256 F24 N48 O32 -","4","1","","Bécart, Diane; Diemer, Vincent; Salaün, Arnaud; Oiarbide, Mikel; Nelli, Yella Reddy; Kauffmann, Brice; Fischer, Lucile; Palomo, Claudio; Guichard, Gilles","Helical Oligourea Foldamers as Powerful Hydrogen Bonding Catalysts for Enantioselective C-C Bond-Forming Reactions.","Journal of the American Chemical Society","2017","139","36","12524","12532","10.1021/jacs.7b05802","","","1.54178","CuKα","","0.0626","0.0455","","","0.1132","0.119","","","","","","1.018","","","","has coordinates,has disorder","241680","2020-10-21","18:00:00",""
"4131491","15.2126","0.0008","15.6715","0.0005","23.6347","0.0008","90","","90","","90","","5634.6","0.4","120","2","120","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C46 H78 F6 N14 O6 S -","- C46 H78 F6 N14 O6 S -","- C184 H312 F24 N56 O24 S4 -","4","1","","Bécart, Diane; Diemer, Vincent; Salaün, Arnaud; Oiarbide, Mikel; Nelli, Yella Reddy; Kauffmann, Brice; Fischer, Lucile; Palomo, Claudio; Guichard, Gilles","Helical Oligourea Foldamers as Powerful Hydrogen Bonding Catalysts for Enantioselective C-C Bond-Forming Reactions.","Journal of the American Chemical Society","2017","139","36","12524","12532","10.1021/jacs.7b05802","","","1.5418","CuKα","","0.1131","0.0986","","","0.2249","0.2685","","","","","","1.121","","","","has coordinates","241681","2020-10-21","18:00:00",""
"4131492","6.509","0.003","23.099","0.009","13.865","0.006","90","","91.342","0.006","90","","2084.1","1.5","98","","98","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C21 H32 N2 O3 Si -","- C21 H32 N2 O3 Si -","- C84 H128 N8 O12 Si4 -","4","1","","Cheng, Qing-Qing; Lankelma, Marianne; Wherritt, Daniel; Arman, Hadi; Doyle, Michael P.","Divergent Rhodium-Catalyzed Cyclization Reactions of Enoldiazoacetamides with Nitrosoarenes.","Journal of the American Chemical Society","2017","139","29","9839","9842","10.1021/jacs.7b05840","","","0.71075","MoKα","","0.0688","0.0624","","","0.1349","0.1403","","","","","","1.061","","","","has coordinates","241682","2020-10-21","18:00:00",""
"4131493","25.138","0.006","6.5629","0.0016","17.174","0.004","90","","108.297","0.005","90","","2690.1","1.1","100","2","100","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C18 H14 O2 -","- C18 H14 O2 -","- C144 H112 O16 -","8","2","","Hung, Chen-Hsun; Gandeepan, Parthasarathy; Cheng, Lin-Chieh; Chen, Liang-Yu; Cheng, Mu-Jeng; Cheng, Chien-Hong","Experimental and Theoretical Studies on Iron-Promoted Oxidative Annulation of Arylglyoxal with Alkyne: Unusual Addition and Migration on the Aryl Ring.","Journal of the American Chemical Society","2017","139","47","17015","17021","10.1021/jacs.7b05981","","","0.71073","MoKα","","0.1181","0.0613","","","0.1392","0.1621","","","","","","1.072","","","","has coordinates","250444","2020-10-21","18:00:00",""
"4131494","8.6883","0.0006","8.9079","0.0006","12.8744","0.0009","100.18","0.002","99.217","0.003","109.994","0.002","895.01","0.11","100","2","100","2","","","","","","","","4","P -1","-P 1","2","","","","- C24 H15 F3 O2 -","- C24 H15 F3 O2 -","- C48 H30 F6 O4 -","2","1","","Hung, Chen-Hsun; Gandeepan, Parthasarathy; Cheng, Lin-Chieh; Chen, Liang-Yu; Cheng, Mu-Jeng; Cheng, Chien-Hong","Experimental and Theoretical Studies on Iron-Promoted Oxidative Annulation of Arylglyoxal with Alkyne: Unusual Addition and Migration on the Aryl Ring.","Journal of the American Chemical Society","2017","139","47","17015","17021","10.1021/jacs.7b05981","","","1.54178","CuKα","","0.0349","0.0339","","","0.089","0.09","","","","","","1.048","","","","has coordinates","241684","2020-10-21","18:00:00",""
"4131495","20.087","0.005","8.0724","0.0018","19.633","0.005","90","","90","","90","","3183.5","1.3","100","2","100","2","","","","","","","","4","P c c n","-P 2ab 2ac","56","","","","- C19 H15 Br O2 -","- C19 H15 Br O2 -","- C152 H120 Br8 O16 -","8","1","","Hung, Chen-Hsun; Gandeepan, Parthasarathy; Cheng, Lin-Chieh; Chen, Liang-Yu; Cheng, Mu-Jeng; Cheng, Chien-Hong","Experimental and Theoretical Studies on Iron-Promoted Oxidative Annulation of Arylglyoxal with Alkyne: Unusual Addition and Migration on the Aryl Ring.","Journal of the American Chemical Society","2017","139","47","17015","17021","10.1021/jacs.7b05981","","","0.71073","MoKα","","0.0786","0.0412","","","0.0969","0.1101","","","","","","1.034","","","","has coordinates","241685","2020-10-21","18:00:00",""
"4131496","28.482","0.008","7.523","0.002","17.072","0.005","90","","90","","90","","3658","1.8","100","2","100","2","","","","","","","","4","P b c n","-P 2n 2ab","60","","","","- C24 H15 F3 O2 -","- C24 H15 F3 O2 -","- C192 H120 F24 O16 -","8","1","","Hung, Chen-Hsun; Gandeepan, Parthasarathy; Cheng, Lin-Chieh; Chen, Liang-Yu; Cheng, Mu-Jeng; Cheng, Chien-Hong","Experimental and Theoretical Studies on Iron-Promoted Oxidative Annulation of Arylglyoxal with Alkyne: Unusual Addition and Migration on the Aryl Ring.","Journal of the American Chemical Society","2017","139","47","17015","17021","10.1021/jacs.7b05981","","","0.71073","MoKα","","0.0903","0.0611","","","0.1407","0.155","","","","","","1.068","","","","has coordinates","241686","2020-10-21","18:00:00",""
"4131497","9.6975","0.0008","9.1414","0.0008","18.7257","0.0016","90","","92.867","0.002","90","","1657.9","0.2","100","2","100","2","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","","","- C23 H16 O2 -","- C23 H16 O2 -","- C92 H64 O8 -","4","1","","Hung, Chen-Hsun; Gandeepan, Parthasarathy; Cheng, Lin-Chieh; Chen, Liang-Yu; Cheng, Mu-Jeng; Cheng, Chien-Hong","Experimental and Theoretical Studies on Iron-Promoted Oxidative Annulation of Arylglyoxal with Alkyne: Unusual Addition and Migration on the Aryl Ring.","Journal of the American Chemical Society","2017","139","47","17015","17021","10.1021/jacs.7b05981","","","0.71073","MoKα","","0.0572","0.0398","","","0.0932","0.1024","","","","","","1.019","","","","has coordinates","241687","2020-10-21","18:00:00",""
"4131498","28.897","0.005","6.4009","0.0009","17.085","0.003","90","","104.057","0.006","90","","3065.5","0.9","100","2","100","2","","","","","","","","3","C 1 2/c 1","-C 2yc","15","","","","- C20 H16 O4 -","- C20 H16 O4 -","- C160 H128 O32 -","8","1","","Hung, Chen-Hsun; Gandeepan, Parthasarathy; Cheng, Lin-Chieh; Chen, Liang-Yu; Cheng, Mu-Jeng; Cheng, Chien-Hong","Experimental and Theoretical Studies on Iron-Promoted Oxidative Annulation of Arylglyoxal with Alkyne: Unusual Addition and Migration on the Aryl Ring.","Journal of the American Chemical Society","2017","139","47","17015","17021","10.1021/jacs.7b05981","","","1.54178","CuKα","","0.0408","0.0333","","","0.0914","0.0941","","","","","","1.03","","","","has coordinates","241688","2020-10-21","18:00:00",""
"4131499","10.505","0.005","15.956","0.007","7.986","0.004","90","","98.052","0.01","90","","1325.4","1.1","100","2","100","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C17 H11 Br O2 -","- C17 H11 Br O2 -","- C68 H44 Br4 O8 -","4","1","","Hung, Chen-Hsun; Gandeepan, Parthasarathy; Cheng, Lin-Chieh; Chen, Liang-Yu; Cheng, Mu-Jeng; Cheng, Chien-Hong","Experimental and Theoretical Studies on Iron-Promoted Oxidative Annulation of Arylglyoxal with Alkyne: Unusual Addition and Migration on the Aryl Ring.","Journal of the American Chemical Society","2017","139","47","17015","17021","10.1021/jacs.7b05981","","","0.71073","MoKα","","0.0453","0.031","","","0.0737","0.0785","","","","","","1.022","","","","has coordinates","241689","2020-10-21","18:00:00",""
"4131500","9.573","0.003","17.291","0.005","10.693","0.003","90","","112.066","0.007","90","","1640.3","0.8","100","2","100","2","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","","","- C23 H16 O2 -","- C23 H16 O2 -","- C92 H64 O8 -","4","1","","Hung, Chen-Hsun; Gandeepan, Parthasarathy; Cheng, Lin-Chieh; Chen, Liang-Yu; Cheng, Mu-Jeng; Cheng, Chien-Hong","Experimental and Theoretical Studies on Iron-Promoted Oxidative Annulation of Arylglyoxal with Alkyne: Unusual Addition and Migration on the Aryl Ring.","Journal of the American Chemical Society","2017","139","47","17015","17021","10.1021/jacs.7b05981","","","0.71073","MoKα","","0.1271","0.0943","","","0.2759","0.3046","","","","","","1.082","","","","has coordinates","241691","2020-10-21","18:00:00",""
"4131501","10.7155","0.0008","8.5011","0.0005","17.9927","0.0013","90","","90.07","0.002","90","","1639","0.2","100","2","100","2","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","","","- C23 H16 O2 -","- C23 H16 O2 -","- C92 H64 O8 -","4","1","","Hung, Chen-Hsun; Gandeepan, Parthasarathy; Cheng, Lin-Chieh; Chen, Liang-Yu; Cheng, Mu-Jeng; Cheng, Chien-Hong","Experimental and Theoretical Studies on Iron-Promoted Oxidative Annulation of Arylglyoxal with Alkyne: Unusual Addition and Migration on the Aryl Ring.","Journal of the American Chemical Society","2017","139","47","17015","17021","10.1021/jacs.7b05981","","","0.71073","MoKα","","0.0588","0.0368","","","0.079","0.0876","","","","","","1.009","","","","has coordinates","241692","2020-10-21","18:00:00",""
"4131502","9.6878","0.0006","23.1088","0.0014","9.8408","0.0006","90","","117.347","0.0018","90","","1956.9","0.2","100","","100","","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C19 H22 N2 O4 S -","- C19 H22 N2 O4 S -","- C76 H88 N8 O16 S4 -","4","1","","Wilkerson-Hill, Sidney M; Yu, Diana; Painter, Phillip P.; Fisher, Ethan L.; Tantillo, Dean J.; Sarpong, Richmond; Hein, Jason E.","Mechanism of a No-Metal-Added Heterocycloisomerization of Alkynylcyclopropylhydrazones: Synthesis of Cycloheptane-Fused Aminopyrroles Facilitated by Copper Salts at Trace Loadings.","Journal of the American Chemical Society","2017","139","30","10569","10577","10.1021/jacs.7b06007","","x-ray","0.71073","MoKα","","0.0599","0.043","","","0.0998","0.1099","","","","","","1.032","","","","has coordinates","241693","2020-10-21","18:00:00",""
"4131503","28.1144","0.001","17.0847","0.0005","10.0476","0.0003","90","","97.743","0.002","90","","4782.1","0.3","100","2","100","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","SMHVI-hydrazone","sarpong66","","- C21.05 H24.05 N2 O4 S -","- C21.052 H24.052 N2 O4 S -","- C168.416 H192.416 N16 O32 S8 -","8","1","","Wilkerson-Hill, Sidney M; Yu, Diana; Painter, Phillip P.; Fisher, Ethan L.; Tantillo, Dean J.; Sarpong, Richmond; Hein, Jason E.","Mechanism of a No-Metal-Added Heterocycloisomerization of Alkynylcyclopropylhydrazones: Synthesis of Cycloheptane-Fused Aminopyrroles Facilitated by Copper Salts at Trace Loadings.","Journal of the American Chemical Society","2017","139","30","10569","10577","10.1021/jacs.7b06007","","","1.54178","CuKα","","0.0599","0.0539","","","0.1644","0.1695","","","","","","1.058","","","","has coordinates","241694","2020-10-21","18:00:00",""
"4131504","9.821","0.002","9.821","0.002","8.2067","0.0016","90","","90","","120","","685.5","0.2","293","2","293","2","","","","","","","","5","P -6 2 c","P -6c -2c","190","","","","- C6 H14 I3 N2 Rb -","- C6 H14 I3 N2 Rb -","- C12 H28 I6 N4 Rb2 -","2","0.166667","","Zhang, Wan-Ying; Tang, Yuan-Yuan; Li, Peng-Fei; Shi, Ping-Ping; Liao, Wei-Qiang; Fu, Da-Wei; Ye, Heng-Yun; Zhang, Yi; Xiong, Ren-Gen","Precise Molecular Design of High-T<sub>c</sub> 3D Organic-Inorganic Perovskite Ferroelectric: [MeHdabco]RbI<sub>3</sub> (MeHdabco = N-Methyl-1,4-diazoniabicyclo[2.2.2]octane).","Journal of the American Chemical Society","2017","139","31","10897","10902","10.1021/jacs.7b06013","","","0.71073","MoKα","","0.0284","0.0279","","","0.0609","0.0611","","","","","","1.052","","","","has coordinates","241695","2020-10-21","18:00:00",""
"4131505","6.635","0.007","6.635","0.007","6.635","0.007","90","","90","","90","","292.1","0.5","458","2","458","2","","","","","","","","5","P m -3 m","-P 4 2 3","221","","","","- C6 H14 Cl3 N2 Rb -","- C10.6668 Cl3 Rb -","- C10.6668 Cl3 Rb -","1","0.0208333","","Zhang, Wan-Ying; Tang, Yuan-Yuan; Li, Peng-Fei; Shi, Ping-Ping; Liao, Wei-Qiang; Fu, Da-Wei; Ye, Heng-Yun; Zhang, Yi; Xiong, Ren-Gen","Precise Molecular Design of High-T<sub>c</sub> 3D Organic-Inorganic Perovskite Ferroelectric: [MeHdabco]RbI<sub>3</sub> (MeHdabco = N-Methyl-1,4-diazoniabicyclo[2.2.2]octane).","Journal of the American Chemical Society","2017","139","31","10897","10902","10.1021/jacs.7b06013","","","0.71073","MoKα","","0.0648","0.0648","","","0.192","0.192","","","","","","1.032","","","","has coordinates","241696","2020-10-21","18:00:00",""
"4131506","6.798","0.002","6.798","0.002","6.798","0.002","90","","90","","90","","314.15","0.16","353","2","353","2","","","","","","","","5","P m -3 m","-P 4 2 3","221","","","","- C6 H14 Br3 N2 Rb -","- C10.6668 Br3 Rb -","- C10.6668 Br3 Rb -","1","0.0208333","","Zhang, Wan-Ying; Tang, Yuan-Yuan; Li, Peng-Fei; Shi, Ping-Ping; Liao, Wei-Qiang; Fu, Da-Wei; Ye, Heng-Yun; Zhang, Yi; Xiong, Ren-Gen","Precise Molecular Design of High-T<sub>c</sub> 3D Organic-Inorganic Perovskite Ferroelectric: [MeHdabco]RbI<sub>3</sub> (MeHdabco = N-Methyl-1,4-diazoniabicyclo[2.2.2]octane).","Journal of the American Chemical Society","2017","139","31","10897","10902","10.1021/jacs.7b06013","","","0.71073","MoKα","","0.0702","0.067","","","0.1401","0.1426","","","","","","1.033","","","","has coordinates","241697","2020-10-21","18:00:00",""
"4131507","9.6444","0.0014","9.6444","0.0014","23.254","0.005","90","","90","","120","","1873.2","0.6","293","2","293","2","","","","","","","","5","P 32 2 1","P 32 2""","154","","","","- C6 H14 Br3 N2 Rb -","- C6 H14 Br3 N2 Rb -","- C36 H84 Br18 N12 Rb6 -","6","1","","Zhang, Wan-Ying; Tang, Yuan-Yuan; Li, Peng-Fei; Shi, Ping-Ping; Liao, Wei-Qiang; Fu, Da-Wei; Ye, Heng-Yun; Zhang, Yi; Xiong, Ren-Gen","Precise Molecular Design of High-T<sub>c</sub> 3D Organic-Inorganic Perovskite Ferroelectric: [MeHdabco]RbI<sub>3</sub> (MeHdabco = N-Methyl-1,4-diazoniabicyclo[2.2.2]octane).","Journal of the American Chemical Society","2017","139","31","10897","10902","10.1021/jacs.7b06013","","","0.71073","MoKα","","0.104","0.0652","","","0.1127","0.1241","","","","","","1.11","","","","has coordinates","241698","2020-10-21","18:00:00",""
"4131508","9.401","0.003","9.401","0.003","22.513","0.008","90","","90","","120","","1723.1","1","293","2","293","2","","","","","","","","5","P 31 2 1","P 31 2""","152","","","","- C6 H14 Cl3 N2 Rb -","- C6 H14 Cl3 N2 Rb -","- C36 H84 Cl18 N12 Rb6 -","6","1","","Zhang, Wan-Ying; Tang, Yuan-Yuan; Li, Peng-Fei; Shi, Ping-Ping; Liao, Wei-Qiang; Fu, Da-Wei; Ye, Heng-Yun; Zhang, Yi; Xiong, Ren-Gen","Precise Molecular Design of High-T<sub>c</sub> 3D Organic-Inorganic Perovskite Ferroelectric: [MeHdabco]RbI<sub>3</sub> (MeHdabco = N-Methyl-1,4-diazoniabicyclo[2.2.2]octane).","Journal of the American Chemical Society","2017","139","31","10897","10902","10.1021/jacs.7b06013","","","0.71073","MoKα","","0.0517","0.0349","","","0.074","0.0809","","","","","","1.016","","","","has coordinates","241699","2020-10-21","18:00:00",""
"4131509","7.3827","0.0009","7.3827","0.0009","7.3827","0.0009","90","","90","","90","","402.39","0.08","293","2","293","2","","","","","","","","5","P 4 3 2","P 4 2 3","207","","","","- C7 H16 I3 N2 Rb -","- C9.36 I3 Rb -","- C9.36 I3 Rb -","1","0.0416667","","Zhang, Wan-Ying; Tang, Yuan-Yuan; Li, Peng-Fei; Shi, Ping-Ping; Liao, Wei-Qiang; Fu, Da-Wei; Ye, Heng-Yun; Zhang, Yi; Xiong, Ren-Gen","Precise Molecular Design of High-T<sub>c</sub> 3D Organic-Inorganic Perovskite Ferroelectric: [MeHdabco]RbI<sub>3</sub> (MeHdabco = N-Methyl-1,4-diazoniabicyclo[2.2.2]octane).","Journal of the American Chemical Society","2017","139","31","10897","10902","10.1021/jacs.7b06013","","","0.71073","MoKα","","0.1362","0.1057","","","0.2868","0.3184","","","","","","1.246","","","","has coordinates","241700","2020-10-21","18:00:00",""
"4131510","7.272","0.003","7.272","0.003","7.272","0.003","84.81","0.003","84.81","0.003","84.81","0.003","380.1","0.3","273","2","273","2","","","","","","","","5","R 3 :R","P 3*","146","","","","- C0.3 H0.7 I0.13 N0.09 Rb0.04 -","- C0.304348 H0.695652 I0.130435 N0.0869565 Rb0.0434783 -","- C7 H16 I3 N2 Rb -","23","7.66667","","Zhang, Wan-Ying; Tang, Yuan-Yuan; Li, Peng-Fei; Shi, Ping-Ping; Liao, Wei-Qiang; Fu, Da-Wei; Ye, Heng-Yun; Zhang, Yi; Xiong, Ren-Gen","Precise Molecular Design of High-T<sub>c</sub> 3D Organic-Inorganic Perovskite Ferroelectric: [MeHdabco]RbI<sub>3</sub> (MeHdabco = N-Methyl-1,4-diazoniabicyclo[2.2.2]octane).","Journal of the American Chemical Society","2017","139","31","10897","10902","10.1021/jacs.7b06013","","","0.71073","MoKα","","0.026","0.0249","","","0.0538","0.054","","","","","","0.942","","","","has coordinates","241701","2020-10-21","18:00:00",""
"4131511","13.7541","0.001","16.5763","0.0012","16.6586","0.0012","90","","104.083","0.003","90","","3683.9","0.5","100","2","100","2","","","","","","","","5","P 1 21 1","P 2yb","4","rt002","","","- C43 H40 Au Cl N4 -","- C43 H40 Au Cl N4 -","- C172 H160 Au4 Cl4 N16 -","4","2","","Bohan, Patrick T.; Toste, F. Dean","Well-Defined Chiral Gold(III) Complex Catalyzed Direct Enantioconvergent Kinetic Resolution of 1,5-Enynes.","Journal of the American Chemical Society","2017","139","32","11016","11019","10.1021/jacs.7b06025","","","0.71073","MoKα","","0.0125","0.012","","","0.0269","0.027","","","","","","1.022","","","","has coordinates","241702","2020-10-21","18:00:00",""
"4131512","8.4267","0.0012","46.351","0.005","8.4298","0.001","90","","90","","90","","3292.6","0.7","293","","293","","","","","","","","","5","C 2 e b","C -2ac 2","41","Ethylammonium Lead Bromide","","","- C8 H32 Br10 N4 Pb3 -","- C8 H32 Br10 N4 Pb3 -","- C32 H128 Br40 N16 Pb12 -","4","0.5","","Mao, Lingling; Wu, Yilei; Stoumpos, Constantinos C.; Traore, Boubacar; Katan, Claudine; Even, Jacky; Wasielewski, Michael R.; Kanatzidis, Mercouri G.","Tunable White-Light Emission in Single-Cation-Templated Three-Layered 2D Perovskites (CH<sub>3</sub>CH<sub>2</sub>NH<sub>3</sub>)<sub>4</sub>Pb<sub>3</sub>Br<sub>10-x</sub>Cl<sub>x</sub>.","Journal of the American Chemical Society","2017","139","34","11956","11963","10.1021/jacs.7b06143","","x-ray","0.71073","MoKα","","0.1496","0.0964","","","0.1753","0.1854","","","","3.85","3.85","3.14","","","","has coordinates","241703","2020-10-21","18:00:00",""
"4131513","8.024","0.008","45.498","0.007","8.08","0.03","90","","90","","90","","2950","11","293","","293","","","","","","","","","5","A 21 m a","A -2a 2a","36","Ethylammonium Lead Chloride","","","- C8 H32 Cl10 N4 Pb3 -","- C8 H32 Cl10 N4 Pb3 -","- C32 H128 Cl40 N16 Pb12 -","4","0.5","","Mao, Lingling; Wu, Yilei; Stoumpos, Constantinos C.; Traore, Boubacar; Katan, Claudine; Even, Jacky; Wasielewski, Michael R.; Kanatzidis, Mercouri G.","Tunable White-Light Emission in Single-Cation-Templated Three-Layered 2D Perovskites (CH<sub>3</sub>CH<sub>2</sub>NH<sub>3</sub>)<sub>4</sub>Pb<sub>3</sub>Br<sub>10-x</sub>Cl<sub>x</sub>.","Journal of the American Chemical Society","2017","139","34","11956","11963","10.1021/jacs.7b06143","","x-ray","0.71073","MoKα","","0.1124","0.0762","","","0.1384","0.1441","","","","2.99","2.99","2.5","","","","has coordinates","241703","2020-10-21","18:00:00",""
"4131514","9.8811","0.001","14.3028","0.0015","15.0389","0.0016","90","","90","","90","","2125.4","0.4","100","0.2","100","0.2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","H-D-Pro-Pip-Glu-NH2","","- C18 H27 F3 N4 O7 -","- C18 H27 F3 N4 O7 -","- C72 H108 F12 N16 O28 -","4","1","","Schnitzer, Tobias; Wennemers, Helma","Influence of the Trans/Cis Conformer Ratio on the Stereoselectivity of Peptidic Catalysts.","Journal of the American Chemical Society","2017","139","43","15356","15362","10.1021/jacs.7b06194","","x-ray","0.71073","MoKα","","0.0427","0.0339","","","0.0726","0.0783","","","","","","1.039","","","","has coordinates","241704","2020-10-21","18:00:00",""
"4131515","9.7372","0.0011","14.0027","0.0018","14.923","0.0018","90","","90","","90","","2034.7","0.4","100","0.2","100","0.2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C17 H25 F3 N4 O7 -","- C17 H25 F3 N4 O7 -","- C68 H100 F12 N16 O28 -","4","1","","Schnitzer, Tobias; Wennemers, Helma","Influence of the Trans/Cis Conformer Ratio on the Stereoselectivity of Peptidic Catalysts.","Journal of the American Chemical Society","2017","139","43","15356","15362","10.1021/jacs.7b06194","","x-ray","0.71073","MoKα","","0.0351","0.0293","","","0.0667","0.0704","","","","","","1.077","","","","has coordinates,has disorder","241705","2020-10-21","18:00:00",""
"4131516","5.64157","0.00013","17.0712","0.0003","17.5424","0.0005","90","","90.6571","0.0015","90","","1689.37","0.07","93","","93","","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C19 H16 B Cl O2 -","- C19 H16 B Cl O2 -","- C76 H64 B4 Cl4 O8 -","4","1","","Nogami, Marina; Hirano, Keiichi; Kanai, Misae; Wang, Chao; Saito, Tatsuo; Miyamoto, Kazunori; Muranaka, Atsuya; Uchiyama, Masanobu","Transition Metal-Free trans-Selective Alkynylboration of Alkynes.","Journal of the American Chemical Society","2017","139","36","12358","12361","10.1021/jacs.7b06212","","","1.54187","CuKα","","","0.0747","","","","0.1519","","","","","","0.89","","","","has coordinates","241706","2020-10-21","18:00:00",""
"4131517","14.764","0.003","23.997","0.005","4.0296","0.0008","90","","90","","90","","1427.7","0.5","173.15","","173.15","","","","","","","","","3","P n a 21","P 2c -2n","33","","","","- C17 H16 O4 -","- C17 H16 O4 -","- C68 H64 O16 -","4","1","","Gong, Yanjun; Zhang, Yifan; Xiong, Wei; Zhang, Ke; Che, Yanke; Zhao, Jincai","Molecular Interactions Control Quantum Chain Reactions toward Distinct Photoresponsive Properties of Molecular Crystals.","Journal of the American Chemical Society","2017","139","31","10649","10652","10.1021/jacs.7b06261","","","0.71073","MoKα","","0.0525","0.0471","","","0.1049","0.1079","","","","","","1.126","","","","has coordinates","241707","2020-10-21","18:00:00",""
"4131518","4.252","0.002","10.804","0.005","14.788","0.007","90","","91.184","0.008","90","","679.2","0.6","173.15","","173.15","","","","","","","","","3","P 1 21 1","P 2yb","4","","","","- C15 H14 O5 -","- C15 H14 O5 -","- C30 H28 O10 -","2","1","","Gong, Yanjun; Zhang, Yifan; Xiong, Wei; Zhang, Ke; Che, Yanke; Zhao, Jincai","Molecular Interactions Control Quantum Chain Reactions toward Distinct Photoresponsive Properties of Molecular Crystals.","Journal of the American Chemical Society","2017","139","31","10649","10652","10.1021/jacs.7b06261","","","0.71073","MoKα","","0.0718","0.0646","","","0.1418","0.1485","","","","","","1.083","","","","has coordinates","241708","2020-10-21","18:00:00",""
"4131519","13.777","0.003","6.4606","0.0013","13.925","0.003","90","","90","","90","","1239.4","0.5","153","2","153","2","","","","","","","","3","P n m a","-P 2ac 2n","62","","","","- C16 H12 O3 -","- C16 H12 O3 -","- C64 H48 O12 -","4","0.5","","Gong, Yanjun; Zhang, Yifan; Xiong, Wei; Zhang, Ke; Che, Yanke; Zhao, Jincai","Molecular Interactions Control Quantum Chain Reactions toward Distinct Photoresponsive Properties of Molecular Crystals.","Journal of the American Chemical Society","2017","139","31","10649","10652","10.1021/jacs.7b06261","","","0.71073","MoKα","","0.1049","0.0965","","","0.2176","0.2367","","","","","","1.053","","","","has coordinates,has disorder","241709","2020-10-21","18:00:00",""
"4131520","8.5418","0.0003","11.8408","0.0005","14.1682","0.0006","104.764","0.003","105.21","0.002","107.082","0.002","1233.26","0.09","100","","100.15","","","","","","","","","3","P -1","-P 1","2","","","","- C13 H22 O3 -","- C13 H22 O3 -","- C52 H88 O12 -","4","2","","Kier, Matthew J.; Leon, Robert M.; O'Rourke, Natasha F; Rheingold, Arnold L.; Micalizio, Glenn C.","Synthesis of Highly Oxygenated Carbocycles by Stereoselective Coupling of Alkynes to 1,3- and 1,4-Dicarbonyl Systems.","Journal of the American Chemical Society","2017","139","36","12374","12377","10.1021/jacs.7b06286","","","1.54178","CuKα","","0.05","0.0431","","","0.1199","0.1267","","","","","","1.064","","","","has coordinates","241710","2020-10-21","18:00:00",""
"4131521","43.069","0.003","43.069","0.003","27.998","0.003","90","","90","","120","","44977","7","100","","100","","","","","","","","","5","R 3 2 :H","R 3 2""","155","","","","- C48 H80 K1.23 Li0.77 O40 -","- C48 H80 K1.233 Li0.767 O40 -","- C864 H1440 K22.194 Li13.806 O720 -","18","1","","Patel, Hasmukh A.; Islamoglu, Timur; Liu, Zhichang; Nalluri, Siva Krishna Mohan; Samanta, Avik; Anamimoghadam, Ommid; Malliakas, Christos D.; Farha, Omar K.; Stoddart, J. Fraser","Noninvasive Substitution of K<sup>+</sup> Sites in Cyclodextrin Metal-Organic Frameworks by Li<sup>+</sup> Ions.","Journal of the American Chemical Society","2017","139","32","11020","11023","10.1021/jacs.7b06287","","","1.54178","CuKα","","0.1147","0.0998","","","0.2625","0.2791","","","","","","0.974","","","","has coordinates","241711","2020-10-21","18:00:00",""
"4131522","8.194","0.0016","6.073","0.0012","15.178","0.003","90","","104.96","0.03","90","","729.7","0.3","100","2","100","2","","","","","","","","3","P 1 21 1","P 2yb","4","GD-19","GD-19","","- C19 H15 N3 -","- C19 H15 N3 -","- C38 H30 N6 -","2","1","","Kim, Woo Gyum; Kang, Mi Eun; Lee, Jae Bin; Jeon, Min Ho; Lee, Sungmin; Lee, Jungha; Choi, Bongseo; Cal, Pedro M. S. D.; Kang, Sebyung; Kee, Jung-Min; Bernardes, Gonçalo J L; Rohde, Jan-Uwe; Choe, Wonyoung; Hong, Sung You","Nickel-Catalyzed Azide-Alkyne Cycloaddition To Access 1,5-Disubstituted 1,2,3-Triazoles in Air and Water.","Journal of the American Chemical Society","2017","139","35","12121","12124","10.1021/jacs.7b06338","","","0.66","Synchrotron","","0.0818","0.0566","","","0.1853","0.2176","","","","","","1.203","","","","has coordinates","241712","2020-10-21","18:00:00",""
"4131523","6.8","0.0014","11.502","0.002","8.463","0.0017","90","","99.74","0.03","90","","652.4","0.2","123","","123","","","","","","","","","4","P 1 21 1","P 2yb","4","GD-5","GD-5","","- C15 H12 N4 O2 -","- C15 H12 N4 O2 -","- C30 H24 N8 O4 -","2","1","","Kim, Woo Gyum; Kang, Mi Eun; Lee, Jae Bin; Jeon, Min Ho; Lee, Sungmin; Lee, Jungha; Choi, Bongseo; Cal, Pedro M. S. D.; Kang, Sebyung; Kee, Jung-Min; Bernardes, Gonçalo J L; Rohde, Jan-Uwe; Choe, Wonyoung; Hong, Sung You","Nickel-Catalyzed Azide-Alkyne Cycloaddition To Access 1,5-Disubstituted 1,2,3-Triazoles in Air and Water.","Journal of the American Chemical Society","2017","139","35","12121","12124","10.1021/jacs.7b06338","","","0.71073","MoKα","","0.0733","0.0628","","","0.1664","0.1726","","","","","","1.153","","","","has coordinates","241713","2020-10-21","18:00:00",""
"4131524","9.1265","0.0003","9.1821","0.0003","11.6541","0.0004","87.916","0.001","76.284","0.001","62.798","0.001","840.9","0.05","109","2","108.85","","","","","","","","","3","P -1","-P 1","2","","","","- C22 H20 O2 -","- C22 H20 O2 -","- C44 H40 O4 -","2","1","","Shrestha, Bijay; Basnet, Prakash; Dhungana, Roshan K.; Kc, Shekhar; Thapa, Surendra; Sears, Jeremiah M.; Giri, Ramesh","Ni-Catalyzed Regioselective 1,2-Dicarbofunctionalization of Olefins by Intercepting Heck Intermediates as Imine-Stabilized Transient Metallacycles.","Journal of the American Chemical Society","2017","139","31","10653","10656","10.1021/jacs.7b06340","","","1.54178","CuKα","","0.0638","0.062","","","0.1737","0.1752","","","","","","1.093","","","","has coordinates","241714","2020-10-21","18:00:00",""
"4131525","17.2666","0.0007","9.0525","0.0004","19.2398","0.0008","90","","103.905","0.002","90","","2919.2","0.2","100","2","100","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C20 H36 F6 Li N O10 S2 -","- C20 H36 F6 Li N O10 S2 -","- C80 H144 F24 Li4 N4 O40 S8 -","4","1","","Sharon, Daniel; Sharon, Pessia; Hirshberg, Daniel; Salama, Michael; Afri, Michal; Shimon, Linda J. W.; Kwak, Won-Jin; Sun, Yang-Kook; Frimer, Aryeh A.; Aurbach, Doron","2,4-Dimethoxy-2,4-dimethylpentan-3-one: An Aprotic Solvent Designed for Stability in Li-O<sub>2</sub> Cells.","Journal of the American Chemical Society","2017","139","34","11690","11693","10.1021/jacs.7b06414","","","0.71073","MoKα","","0.0485","0.0343","","","0.084","0.0908","","","","","","1.038","","","","has coordinates","241715","2020-10-21","18:00:00",""
"4131526","6.9504","0.0001","16.7652","0.0003","43.917","0.003","90","","90","","90","","5117.4","0.4","85","2","85","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C25 H35 N O7 -","- C25 H35 N O7 -","- C200 H280 N8 O56 -","8","2","","Koch, Aaron A.; Hansen, Douglas A.; Shende, Vikram V.; Furan, Lawrence R.; Houk, K. N.; Jiménez-Osés, Gonzalo; Sherman, David H.","A Single Active Site Mutation in the Pikromycin Thioesterase Generates a More Effective Macrocyclization Catalyst.","Journal of the American Chemical Society","2017","139","38","13456","13465","10.1021/jacs.7b06436","","","1.54178","CuKα","","0.0591","0.0518","","","0.1275","0.1328","","","","","","1.092","","","","has coordinates","241716","2020-10-21","18:00:00",""
"4131527","27.1819","0.0009","27.1819","0.0009","22.9588","0.0009","90","","90","","120","","14690.6","0.9","173","2","173.15","","","","","","","","","5","P 61 2 2","P 61 2 (0 0 5)","178","","","","- C23 H18 Mn O7 P0.5 -","- C23 H18 Mn O7 P0.5 -","- C276 H216 Mn12 O84 P6 -","12","1","","Chen, Xu; Jiang, Hong; Hou, Bang; Gong, Wei; Liu, Yan; Cui, Yong","Boosting Chemical Stability, Catalytic Activity, and Enantioselectivity of Metal-Organic Frameworks for Batch and Flow Reactions.","Journal of the American Chemical Society","2017","139","38","13476","13482","10.1021/jacs.7b06459","","","1.54178","CuKα","","0.0654","0.042","","","0.1112","0.1212","","","","","","1.056","","","","has coordinates","241717","2020-10-21","18:00:00",""
"4131528","27.0514","0.0003","27.0514","0.0003","23.2766","0.0005","90","","90","","120","","14751.3","0.4","293","2","293","2","","","","","","","","6","P 61 2 2","P 61 2 (0 0 5)","178","","","","- C23 H12 F6 Mn O7 P0.5 -","- C23 H12 F6 Mn O7 P0.5 -","- C276 H144 F72 Mn12 O84 P6 -","12","1","","Chen, Xu; Jiang, Hong; Hou, Bang; Gong, Wei; Liu, Yan; Cui, Yong","Boosting Chemical Stability, Catalytic Activity, and Enantioselectivity of Metal-Organic Frameworks for Batch and Flow Reactions.","Journal of the American Chemical Society","2017","139","38","13476","13482","10.1021/jacs.7b06459","","","1.54178","CuKα","","0.0462","0.0379","","","0.104","0.11","","","","","","1.035","","","","has coordinates,has disorder","241718","2020-10-21","18:00:00",""
"4131529","21.3828","0.0012","4.883","0.0003","22.4473","0.0013","90","","115.924","0.002","90","","2107.9","0.2","100","2","100","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C25 H23 N3 O3 -","- C25 H23 N3 O3 -","- C100 H92 N12 O12 -","4","1","","Liu, Zhen; Wang, Yanyan; Wang, Zichen; Zeng, Tian; Liu, Peng; Engle, Keary M.","Catalytic Intermolecular Carboamination of Unactivated Alkenes via Directed Aminopalladation.","Journal of the American Chemical Society","2017","139","32","11261","11270","10.1021/jacs.7b06520","","","1.54178","CuKα","","0.0371","0.034","","","0.0837","0.086","","","","","","1.058","","","","has coordinates","241719","2020-10-21","18:00:00",""
"4131530","10.398","0.0004","18.5954","0.0007","15.0498","0.0006","90","","98.417","0.002","90","","2878.61","0.19","100","2","100","","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C36 H29 N3 O3 -","- C36 H29 N3 O3 -","- C144 H116 N12 O12 -","4","1","","Liu, Zhen; Wang, Yanyan; Wang, Zichen; Zeng, Tian; Liu, Peng; Engle, Keary M.","Catalytic Intermolecular Carboamination of Unactivated Alkenes via Directed Aminopalladation.","Journal of the American Chemical Society","2017","139","32","11261","11270","10.1021/jacs.7b06520","","x-ray","1.54178","CuKα","","0.0387","0.0321","","","0.0772","0.0811","","","","","","1.017","","","","has coordinates","241720","2020-10-21","18:00:00",""
"4131531","8.8253","0.0004","16.6932","0.0007","15.39","0.0007","90","","100.825","0.002","90","","2226.95","0.17","100","","100","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C28 H28 N2 O -","- C28 H28 N2 O -","- C112 H112 N8 O4 -","4","1","","Derosa, Joseph; Tran, Van T.; Boulous, Mark N.; Chen, Jason S.; Engle, Keary M.","Nickel-Catalyzed β,γ-Dicarbofunctionalization of Alkenyl Carbonyl Compounds via Conjunctive Cross-Coupling.","Journal of the American Chemical Society","2017","139","31","10657","10660","10.1021/jacs.7b06567","","x-ray","1.54178","CuKα","K-L~3~","0.0436","0.0407","","","0.1034","0.1061","","","","","","1.058","","","","has coordinates","241721","2020-10-21","18:00:00",""
"4131532","10.9274","0.0015","11.6646","0.0015","15.873","0.002","90","","92.749","0.007","90","","2020.9","0.5","100","2","100","","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C24 H28 N2 O -","- C24 H28 N2 O -","- C96 H112 N8 O4 -","4","1","","Derosa, Joseph; Tran, Van T.; Boulous, Mark N.; Chen, Jason S.; Engle, Keary M.","Nickel-Catalyzed β,γ-Dicarbofunctionalization of Alkenyl Carbonyl Compounds via Conjunctive Cross-Coupling.","Journal of the American Chemical Society","2017","139","31","10657","10660","10.1021/jacs.7b06567","","x-ray","1.54178","CuKα","K-L~3~","0.0645","0.048","","","0.1136","0.1231","","","","","","1.052","","","","has coordinates","241722","2020-10-21","18:00:00",""
"4131533","17.9435","0.0005","11.618","0.002","20.3","0.002","90","","96.496","0.006","90","","4204.7","0.8","100","2","100","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C42 H68 Cl2 N2 Si2 -","- C42 H68 Cl2 N2 Si2 -","- C168 H272 Cl8 N8 Si8 -","4","0.5","","Kundu, Subrata; Samuel, Prinson P.; Sinhababu, Soumen; Luebben, Anna V.; Dittrich, Birger; Andrada, Diego M.; Frenking, Gernot; Stückl, A Claudia; Schwederski, Brigitte; Paretzki, Alexa; Kaim, Wolfgang; Roesky, Herbert W.","Organosilicon Radicals with Si-H and Si-Me Bonds from Commodity Precursors.","Journal of the American Chemical Society","2017","139","32","11028","11031","10.1021/jacs.7b06610","","","0.6358","synchrotron","","0.0417","0.0413","","","0.1245","0.1249","","","","","","1.068","","","","has coordinates","241723","2020-10-21","18:00:00",""
"4131534","17.9254","0.0008","11.6078","0.0005","20.4598","0.0009","90","","97.164","0.003","90","","4223.9","0.3","100","2","100","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C44 H74 N2 Si2 -","- C44 H74 N2 Si2 -","- C176 H296 N8 Si8 -","4","0.5","","Kundu, Subrata; Samuel, Prinson P.; Sinhababu, Soumen; Luebben, Anna V.; Dittrich, Birger; Andrada, Diego M.; Frenking, Gernot; Stückl, A Claudia; Schwederski, Brigitte; Paretzki, Alexa; Kaim, Wolfgang; Roesky, Herbert W.","Organosilicon Radicals with Si-H and Si-Me Bonds from Commodity Precursors.","Journal of the American Chemical Society","2017","139","32","11028","11031","10.1021/jacs.7b06610","","","0.71073","MoKα","","0.0407","0.0347","","","0.087","0.0925","","","","","","1.048","","","","has coordinates,has disorder","241724","2020-10-21","18:00:00",""
"4131535","34.125","0.004","9.556","0.003","23.278","0.006","90","","100.27","0.03","90","","7469","3","100","2","100","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C80 H128 N4 Si2 -","- C80 H128 N4 Si2 -","- C320 H512 N16 Si8 -","4","0.5","","Kundu, Subrata; Samuel, Prinson P.; Sinhababu, Soumen; Luebben, Anna V.; Dittrich, Birger; Andrada, Diego M.; Frenking, Gernot; Stückl, A Claudia; Schwederski, Brigitte; Paretzki, Alexa; Kaim, Wolfgang; Roesky, Herbert W.","Organosilicon Radicals with Si-H and Si-Me Bonds from Commodity Precursors.","Journal of the American Chemical Society","2017","139","32","11028","11031","10.1021/jacs.7b06610","","","0.6358","synchrotron","","0.0389","0.0381","","","0.1061","0.107","","","","","","1.024","","","","has coordinates","241725","2020-10-21","18:00:00",""
"4131536","8.187","0.0013","5.4348","0.0008","11.5306","0.0018","90","","98.017","0.003","90","","508.04","0.14","100","2","100","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C10 H9 F3 O S -","- C10 H9 F3 O S -","- C20 H18 F6 O2 S2 -","2","1","","Zhang, Hu; Buchwald, Stephen L.","Palladium-Catalyzed Negishi Coupling of α-CF<sub>3</sub> Oxiranyl Zincate: Access to Chiral CF<sub>3</sub>-Substituted Benzylic Tertiary Alcohols.","Journal of the American Chemical Society","2017","139","33","11590","11594","10.1021/jacs.7b06630","","","0.71073","MoKα","","0.0293","0.0279","","","0.0686","0.0695","","","","","","1.038","","","","has coordinates","241726","2020-10-21","18:00:00",""
"4131537","10.439","0.002","16.789","0.004","19.1","0.005","90","","90","","90","","3347.5","1.3","100","2","100","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C34 H36 B2 Br2 P2 Zn -","- C34 H36 B2 Br2 P2 Zn -","- C136 H144 B8 Br8 P8 Zn4 -","4","1","","Wang, Sunewang R.; Arrowsmith, Merle; Braunschweig, Holger; Dewhurst, Rian D.; Dömling, Michael; Mattock, James D.; Pranckevicius, Conor; Vargas, Alfredo","Monomeric 16-Electron π-Diborene Complexes of Zn(II) and Cd(II).","Journal of the American Chemical Society","2017","139","31","10661","10664","10.1021/jacs.7b06644","","","0.71073","MoKα","","0.0433","0.0317","","","0.0676","0.0717","","","","","","1.052","","","","has coordinates","241727","2020-10-21","18:00:00",""
"4131538","9.5859","0.0009","12.2845","0.001","24.092","0.003","90","","90","","90","","2837","0.5","100","2","100","2","","","","","","","","7","P 21 21 21","P 2ac 2ab","19","","","","- C19 H24 B2 Cl4 N4 S2 Zn -","- C19 H24 B2 Cl4 N4 S2 Zn -","- C76 H96 B8 Cl16 N16 S8 Zn4 -","4","1","","Wang, Sunewang R.; Arrowsmith, Merle; Braunschweig, Holger; Dewhurst, Rian D.; Dömling, Michael; Mattock, James D.; Pranckevicius, Conor; Vargas, Alfredo","Monomeric 16-Electron π-Diborene Complexes of Zn(II) and Cd(II).","Journal of the American Chemical Society","2017","139","31","10661","10664","10.1021/jacs.7b06644","","","0.71073","MoKα","","0.0593","0.0447","","","0.1049","0.1112","","","","","","1.064","","","","has coordinates,has disorder","241728","2020-10-21","18:00:00",""
"4131539","16.553","0.002","10.077","0.0012","25.796","0.004","90","","103.702","0.003","90","","4180.4","1","103","2","103","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C46 H48 B2 Cl2 P2 Zn -","- C46 H48 B2 Cl2 P2 Zn -","- C184 H192 B8 Cl8 P8 Zn4 -","4","0.5","","Wang, Sunewang R.; Arrowsmith, Merle; Braunschweig, Holger; Dewhurst, Rian D.; Dömling, Michael; Mattock, James D.; Pranckevicius, Conor; Vargas, Alfredo","Monomeric 16-Electron π-Diborene Complexes of Zn(II) and Cd(II).","Journal of the American Chemical Society","2017","139","31","10661","10664","10.1021/jacs.7b06644","","","0.71073","MoKα","","0.0778","0.0444","","","0.0828","0.0933","","","","","","1.016","","","","has coordinates","241729","2020-10-21","18:00:00",""
"4131540","31.349","0.004","10.2766","0.0016","33.152","0.005","90","","98.316","0.011","90","","10568","3","100","2","100","2","","","","","","","","6","I 1 2/a 1","-I 2ya","15","","","","- C35 H38 B2 Cd Cl4 P2 -","- C35 H38 B2 Cd Cl4 P2 -","- C420 H456 B24 Cd12 Cl48 P24 -","12","1.5","","Wang, Sunewang R.; Arrowsmith, Merle; Braunschweig, Holger; Dewhurst, Rian D.; Dömling, Michael; Mattock, James D.; Pranckevicius, Conor; Vargas, Alfredo","Monomeric 16-Electron π-Diborene Complexes of Zn(II) and Cd(II).","Journal of the American Chemical Society","2017","139","31","10661","10664","10.1021/jacs.7b06644","","","0.71073","MoKα","","0.0945","0.0608","","","0.1139","0.133","","","","","","1.151","","","","has coordinates,has disorder","241730","2020-10-21","18:00:00",""
"4131541","14.7841","0.0003","14.3018","0.0002","15.1278","0.0003","90","","117.45","0.0008","90","","2838.5","0.09","100","2","100","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C13 H13 Au Cl2 F N -","- C13 Au Cl2 F N -","- C52 Au4 Cl8 F4 N4 -","4","1","","Harper, Matthew J.; Emmett, Edward J.; Bower, John F.; Russell, Christopher A.","Oxidative 1,2-Difunctionalization of Ethylene via Gold-Catalyzed Oxyarylation.","Journal of the American Chemical Society","2017","139","36","12386","12389","10.1021/jacs.7b06668","","","0.71073","MoKα","","0.0353","0.0237","","","0.0509","0.0546","","","","","","1.028","","","","has coordinates","256620","2020-10-21","18:00:00",""
"4131542","8.6","0.0002","14.9179","0.0004","15.1241","0.0004","88.579","0.0014","89.7538","0.0015","86.1002","0.0013","1935.24","0.09","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","","","- C24 H19 Au F P -","- C24 Au F P -","- C48 Au2 F2 P2 -","2","1","","Harper, Matthew J.; Emmett, Edward J.; Bower, John F.; Russell, Christopher A.","Oxidative 1,2-Difunctionalization of Ethylene via Gold-Catalyzed Oxyarylation.","Journal of the American Chemical Society","2017","139","36","12386","12389","10.1021/jacs.7b06668","","","0.71073","MoKα","","0.024","0.0192","","","0.0384","0.0396","","","","","","1.029","","","","has coordinates","255805","2020-10-21","18:00:00",""
"4131543","12.5156","0.0002","13.9784","0.0002","20.1391","0.0003","76.0078","0.001","83.8575","0.0011","64.8883","0.0009","3095.58","0.09","100","1","100","1","","","","","","","","4","P -1","-P 1","2","","","","- C84 H66.92 Fe N2 -","- C84 H66.9226 Fe N2 -","- C168 H133.845 Fe2 N4 -","2","1","","Wilding, Matthew J. T.; Iovan, Diana A.; Betley, Theodore A.","High-Spin Iron Imido Complexes Competent for C-H Bond Amination.","Journal of the American Chemical Society","2017","139","34","12043","12049","10.1021/jacs.7b06682","","","1.54178","CuKα","","0.0655","0.0485","","","0.1196","0.1309","","","","","","1.028","","","","has coordinates,has disorder","241733","2020-10-21","18:00:00",""
"4131544","18.529","0.008","18.634","0.008","47.04","0.02","90","","98.769","0.007","90","","16052","12","100","1","100.01","","","","","","","","","4","I 1 2/a 1","-I 2ya","15","","","","- C86 H79 Fe N6 -","- C86 H79 Fe N6 -","- C688 H632 Fe8 N48 -","8","1","","Wilding, Matthew J. T.; Iovan, Diana A.; Betley, Theodore A.","High-Spin Iron Imido Complexes Competent for C-H Bond Amination.","Journal of the American Chemical Society","2017","139","34","12043","12049","10.1021/jacs.7b06682","","","0.71073","MoKα","","0.1586","0.1075","","","0.3064","0.3463","","","","","","1.105","","","","has coordinates,has disorder","241733","2020-10-21","18:00:00",""
"4131545","13.5","0.018","16.28","0.02","16.45","0.02","84.768","0.016","68.757","0.015","67.129","0.015","3100","7","100","2","100.01","","","","","","","","","4","P -1","-P 1","2","","","","- C82.81 H70.64 Fe N3 -","- C82.932 H71.796 Fe N3 -","- C165.864 H143.592 Fe2 N6 -","2","1","","Wilding, Matthew J. T.; Iovan, Diana A.; Betley, Theodore A.","High-Spin Iron Imido Complexes Competent for C-H Bond Amination.","Journal of the American Chemical Society","2017","139","34","12043","12049","10.1021/jacs.7b06682","","","0.71073","MoKα","","0.3553","0.1263","","","0.298","0.4359","","","","","","0.924","","","","has coordinates,has disorder","241733","2020-10-21","18:00:00",""
"4131546","13.4127","0.0009","15.9534","0.001","16.6919","0.0011","87.843","0.001","72.164","0.001","82.17","0.001","3368.3","0.4","100","1","100.03","","","","","","","","","4","P -1","-P 1","2","","","","- C85 H80 Fe N3 -","- C85 H80 Fe N3 -","- C170 H160 Fe2 N6 -","2","1","","Wilding, Matthew J. T.; Iovan, Diana A.; Betley, Theodore A.","High-Spin Iron Imido Complexes Competent for C-H Bond Amination.","Journal of the American Chemical Society","2017","139","34","12043","12049","10.1021/jacs.7b06682","","","0.71073","MoKα","","0.0779","0.0598","","","0.1505","0.165","","","","","","1.031","","","","has coordinates","241733","2020-10-21","18:00:00",""
"4131547","13.519","0.003","16.325","0.003","16.53","0.003","85.219","0.004","68.727","0.004","66.885","0.004","3119.2","1.1","100","2","99.97","","","","","","","","","4","P -1","-P 1","2","","","","- C83 H73 Fe N3 -","- C83 H73 Fe N3 -","- C166 H146 Fe2 N6 -","2","1","","Wilding, Matthew J. T.; Iovan, Diana A.; Betley, Theodore A.","High-Spin Iron Imido Complexes Competent for C-H Bond Amination.","Journal of the American Chemical Society","2017","139","34","12043","12049","10.1021/jacs.7b06682","","","0.71073","MoKα","","0.2304","0.0961","","","0.1945","0.2381","","","","","","0.945","","","","has coordinates","241733","2020-10-21","18:00:00",""
"4131548","18.6367","0.00014","5.74782","0.00003","17.8054","0.00012","90","","116.878","0.0009","90","","1701.28","0.02","100","0.1","100","0.1","","","","","","","","5","P 1 c 1","P -2yc","7","","","","- C19 H21 N O3 S -","- C19 H21 N O3 S -","- C76 H84 N4 O12 S4 -","4","2","","Hao, Wei; Wu, Xiangyu; Sun, James Z.; Siu, Juno C.; MacMillan, Samantha N.; Lin, Song","Radical Redox-Relay Catalysis: Formal [3+2] Cycloaddition of N-Acylaziridines and Alkenes.","Journal of the American Chemical Society","2017","139","35","12141","12144","10.1021/jacs.7b06723","","x-ray","1.54184","CuKα","","0.0197","0.0197","","","0.0529","0.0529","","","","","","1.045","","","","has coordinates","254835","2020-10-21","18:00:00",""
"4131549","8.0466","0.0001","9.5436","0.0001","13.31","0.0002","97.748","0.001","93.059","0.001","96.81","0.001","1003.14","0.02","100","0.1","100","0.1","","","","","","","","6","P -1","-P 1","2","","","","- C20 H18 Br Cl2 N O3 -","- C20 H18 Br Cl2 N O3 -","- C40 H36 Br2 Cl4 N2 O6 -","2","1","","Hao, Wei; Wu, Xiangyu; Sun, James Z.; Siu, Juno C.; MacMillan, Samantha N.; Lin, Song","Radical Redox-Relay Catalysis: Formal [3+2] Cycloaddition of N-Acylaziridines and Alkenes.","Journal of the American Chemical Society","2017","139","35","12141","12144","10.1021/jacs.7b06723","","x-ray","0.71073","MoKα","","0.0255","0.0227","","","0.0522","0.0531","","","","","","1.031","","","","has coordinates","241735","2020-10-21","18:00:00",""
"4131550","12.2359","0.0006","14.2531","0.0008","9.9358","0.0006","90","","98.94","0.002","90","","1711.75","0.16","223.15","","223.15","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C19 H20 Cl N O -","- C19 H20 Cl N O -","- C76 H80 Cl4 N4 O4 -","4","1","","Hao, Wei; Wu, Xiangyu; Sun, James Z.; Siu, Juno C.; MacMillan, Samantha N.; Lin, Song","Radical Redox-Relay Catalysis: Formal [3+2] Cycloaddition of N-Acylaziridines and Alkenes.","Journal of the American Chemical Society","2017","139","35","12141","12144","10.1021/jacs.7b06723","","","0.71073","MoKα","","0.0625","0.0413","","","0.0942","0.1052","","","","","","1.035","","","","has coordinates","241736","2020-10-21","18:00:00",""
"4131551","12.2145","0.0007","19.8453","0.0011","23.3976","0.0013","90","","90","","90","","5671.6","0.6","100","2","100","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C66 H80 B2 N4 -","- C66 H80 B2 N4 -","- C264 H320 B8 N16 -","4","1","","Taylor, Jordan W.; McSkimming, Alex; Guzman, Camilo F.; Harman, W. Hill","N-Heterocyclic Carbene-Stabilized Boranthrene as a Metal-Free Platform for the Activation of Small Molecules.","Journal of the American Chemical Society","2017","139","32","11032","11035","10.1021/jacs.7b06772","","","0.71073","MoKα","","0.0424","0.0369","","","0.0956","0.0999","","","","","","1.047","","","","has coordinates","241737","2020-10-21","18:00:00",""
"4131552","13.9529","0.0012","36.527","0.003","16.6593","0.0014","90","","113.446","0.0012","90","","7789.5","1.1","100","2","100","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C86 H120 B2 Br N4 O5 -","- C86 H120 B2 Br N4 O5 -","- C344 H480 B8 Br4 N16 O20 -","4","1","","Taylor, Jordan W.; McSkimming, Alex; Guzman, Camilo F.; Harman, W. Hill","N-Heterocyclic Carbene-Stabilized Boranthrene as a Metal-Free Platform for the Activation of Small Molecules.","Journal of the American Chemical Society","2017","139","32","11032","11035","10.1021/jacs.7b06772","","","0.71073","MoKα","","0.0829","0.0481","","","0.0931","0.1034","","","","","","1.038","","","","has coordinates,has disorder","241737","2020-10-21","18:00:00",""
"4131553","14.0685","0.001","15.0125","0.001","17.817","0.0012","90.7365","0.0011","106.786","0.0011","95.7848","0.0011","3580.8","0.4","100","2","100","2","","","","","","","","6","P -1","-P 1","2","","","","- C77 H107.5 B2 Br2 N4 O2.75 -","- C77 H107.5 B2 Br2 N4 O2.75 -","- C154 H215 B4 Br4 N8 O5.5 -","2","1","","Taylor, Jordan W.; McSkimming, Alex; Guzman, Camilo F.; Harman, W. Hill","N-Heterocyclic Carbene-Stabilized Boranthrene as a Metal-Free Platform for the Activation of Small Molecules.","Journal of the American Chemical Society","2017","139","32","11032","11035","10.1021/jacs.7b06772","","","0.71073","MoKα","","0.0606","0.0436","","","0.0955","0.1024","","","","","","1.016","","","","has coordinates,has disorder","241737","2020-10-21","18:00:00",""
"4131554","10.9914","0.0004","12.4217","0.0004","16.6359","0.0006","90.8263","0.0005","105.451","0.0005","100.831","0.0005","2145.25","0.13","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","","","- C86 H110 B2 Br2 N14 -","- C86 H110 B2 Br2 N14 -","- C86 H110 B2 Br2 N14 -","1","0.5","","Taylor, Jordan W.; McSkimming, Alex; Guzman, Camilo F.; Harman, W. Hill","N-Heterocyclic Carbene-Stabilized Boranthrene as a Metal-Free Platform for the Activation of Small Molecules.","Journal of the American Chemical Society","2017","139","32","11032","11035","10.1021/jacs.7b06772","","","0.71073","MoKα","","0.0377","0.0319","","","0.079","0.0817","","","","","","1.032","","","","has coordinates","241737","2020-10-21","18:00:00",""
"4131555","13.8441","0.0005","40.4583","0.0014","12.34","0.0004","90","","114.314","0.0005","90","","6298.7","0.4","100","2","100","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C72 H92 B2 N4 O -","- C72 H92 B2 N4 O -","- C288 H368 B8 N16 O4 -","4","1","","Taylor, Jordan W.; McSkimming, Alex; Guzman, Camilo F.; Harman, W. Hill","N-Heterocyclic Carbene-Stabilized Boranthrene as a Metal-Free Platform for the Activation of Small Molecules.","Journal of the American Chemical Society","2017","139","32","11032","11035","10.1021/jacs.7b06772","","","0.71073","MoKα","","0.0617","0.0511","","","0.1276","0.1348","","","","","","1.069","","","","has coordinates","241737","2020-10-21","18:00:00",""
"4131556","37.9259","0.0011","12.4199","0.0003","25.226","0.0007","90","","93.9393","0.0005","90","","11854.3","0.6","100","2","100","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C69.12 H84.49 B2 N4 O2.38 -","- C69.1225 H84.49 B2 N4 O2.3775 -","- C552.98 H675.92 B16 N32 O19.02 -","8","2","","Taylor, Jordan W.; McSkimming, Alex; Guzman, Camilo F.; Harman, W. Hill","N-Heterocyclic Carbene-Stabilized Boranthrene as a Metal-Free Platform for the Activation of Small Molecules.","Journal of the American Chemical Society","2017","139","32","11032","11035","10.1021/jacs.7b06772","","","0.71073","MoKα","","0.0704","0.051","","","0.1194","0.1297","","","","","","1.024","","","","has coordinates,has disorder","241737","2020-10-21","18:00:00",""
"4131557","12.2955","0.0009","13.3751","0.001","20.8112","0.0015","99.6469","0.0013","93.4959","0.0013","117.309","0.0012","2960.7","0.4","200","2","200","2","","","","","","","","5","P -1","-P 1","2","","","","- C66 H80 B2 N4 O2 -","- C66 H80 B2 N4 O2 -","- C132 H160 B4 N8 O4 -","2","1","","Taylor, Jordan W.; McSkimming, Alex; Guzman, Camilo F.; Harman, W. Hill","N-Heterocyclic Carbene-Stabilized Boranthrene as a Metal-Free Platform for the Activation of Small Molecules.","Journal of the American Chemical Society","2017","139","32","11032","11035","10.1021/jacs.7b06772","","","0.71073","MoKα","","0.0703","0.0467","","","0.1099","0.1223","","","","","","1.028","","","","has coordinates","241737","2020-10-21","18:00:00",""
"4131558","14.4259","0.0017","15.0142","0.0019","16.918","0.002","94.524","0.003","101.87","0.003","113.421","0.003","3237.4","0.7","123","2","123","2","","","","","","","","7","P -1","-P 1","2","","","","- C41 H22 Al2 Cl4 Cr2 F48 O11 -","- C41 H22 Al2 Cl4 Cr2 F48 O11 -","- C82 H44 Al4 Cl8 Cr4 F96 O22 -","2","1","","Wang, Wenqing; Li, Jing; Yin, Lei; Zhao, Yue; Ouyang, Zhongwen; Wang, Xinping; Wang, Zhenxing; Song, You; Power, Philip P.","Half-Sandwich Metal Carbonyl Complexes as Precursors to Functional Materials: From a Near-Infrared-Absorbing Dye to a Single-Molecule Magnet.","Journal of the American Chemical Society","2017","139","34","12069","12075","10.1021/jacs.7b06795","","","0.71073","MoKα","","0.0908","0.0676","","","0.1872","0.2032","","","","","","1.088","","","","has coordinates,has disorder","241738","2020-10-21","18:00:00",""
"4131559","20.861","0.004","16.206","0.003","12.709","0.002","90","","90","","90","","4296.6","1.3","123","2","123","2","","","","","","","","7","P n m a","-P 2ac 2n","62","","","","- C16 H4.5 Al0.5 Co0.5 Cr0.5 F18 O4.5 -","- C16 H4.5 Al0.5 Co0.5 Cr0.5 F18 O4.5 -","- C128 H36 Al4 Co4 Cr4 F144 O36 -","8","1","","Wang, Wenqing; Li, Jing; Yin, Lei; Zhao, Yue; Ouyang, Zhongwen; Wang, Xinping; Wang, Zhenxing; Song, You; Power, Philip P.","Half-Sandwich Metal Carbonyl Complexes as Precursors to Functional Materials: From a Near-Infrared-Absorbing Dye to a Single-Molecule Magnet.","Journal of the American Chemical Society","2017","139","34","12069","12075","10.1021/jacs.7b06795","","","0.71073","MoKα","","0.0788","0.0661","","","0.1635","0.1708","","","","","","1.15","","","","has coordinates,has disorder","241739","2020-10-21","18:00:00",""
"4131560","13.677","0.002","65.136","0.01","25.789","0.004","90","","90","","90","","22975","6","296","2","296","2","","","","","","","","7","F d d 2","F 2 -2d","43","","","","- C39 H18 Al2 Cr2 F48 N0 O11 -","- C39 H18 Al2 Cr2 F48 O11 -","- C624 H288 Al32 Cr32 F768 O176 -","16","1","","Wang, Wenqing; Li, Jing; Yin, Lei; Zhao, Yue; Ouyang, Zhongwen; Wang, Xinping; Wang, Zhenxing; Song, You; Power, Philip P.","Half-Sandwich Metal Carbonyl Complexes as Precursors to Functional Materials: From a Near-Infrared-Absorbing Dye to a Single-Molecule Magnet.","Journal of the American Chemical Society","2017","139","34","12069","12075","10.1021/jacs.7b06795","","","0.71073","MoKα","","0.1197","0.0843","","","0.1996","0.2185","","","","","","1.074","","","","has coordinates","241740","2020-10-21","18:00:00",""
"4131561","6.6045","0.0006","10.5502","0.001","9.9087","0.0009","90","","99.277","0.002","90","","681.4","0.11","130","","130","","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C12 H18 O2 Si2 -","- C12 H18 O2 Si2 -","- C24 H36 O4 Si4 -","2","0.5","","Fang, Huaquan; Hou, Wenjun; Liu, Guixia; Huang, Zheng","Ruthenium-Catalyzed Site-Selective Intramolecular Silylation of Primary C-H Bonds for Synthesis of Sila-Heterocycles.","Journal of the American Chemical Society","2017","139","33","11601","11609","10.1021/jacs.7b06798","","","0.71073","MoKα","","0.0299","0.0276","","","0.077","0.079","","","","","","1.085","","","","has coordinates","241741","2020-10-21","18:00:00",""
"4131562","14.783","0.003","11.788","0.002","11.937","0.002","90","","103.039","0.004","90","","2026.5","0.6","296","2","296.15","","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C18 H30 Si3 -","- C18 H30 Si3 -","- C72 H120 Si12 -","4","1","","Fang, Huaquan; Hou, Wenjun; Liu, Guixia; Huang, Zheng","Ruthenium-Catalyzed Site-Selective Intramolecular Silylation of Primary C-H Bonds for Synthesis of Sila-Heterocycles.","Journal of the American Chemical Society","2017","139","33","11601","11609","10.1021/jacs.7b06798","","","0.71073","MoKα","","0.0708","0.0451","","","0.1174","0.1329","","","","","","1.036","","","","has coordinates","241742","2020-10-21","18:00:00",""
"4131563","9.6756","0.0005","9.9965","0.0005","10.5598","0.0006","73.852","0.002","71.287","0.002","71.142","0.002","897.95","0.08","100","2","100","2","","","","","","","","4","P -1","-P 1","2","1776","","","- C19 H28 O3 S -","- C19 H28 O3 S -","- C38 H56 O6 S2 -","2","1","","Winter, Nils; Trauner, Dirk","Thiocarbonyl Ylide Chemistry Enables a Concise Synthesis of (±)-Hippolachnin A.","Journal of the American Chemical Society","2017","139","34","11706","11709","10.1021/jacs.7b06815","","","0.71073","MoKα","","0.0448","0.0356","","","0.0883","0.0954","","","","","","1.062","","","","has coordinates","241743","2020-10-21","18:00:00",""
"4131564","13.4104","0.0004","9.3905","0.0003","13.447","0.0003","90","","105.038","0.001","90","","1635.39","0.08","100","2","100","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","HL115","","","- C17 H26 O2 S -","- C17 H26 O2 S -","- C68 H104 O8 S4 -","4","1","","Winter, Nils; Trauner, Dirk","Thiocarbonyl Ylide Chemistry Enables a Concise Synthesis of (±)-Hippolachnin A.","Journal of the American Chemical Society","2017","139","34","11706","11709","10.1021/jacs.7b06815","","","0.71073","MoKα","","0.047","0.0359","","","0.0873","0.0948","","","","","","1.038","","","","has coordinates","241743","2020-10-21","18:00:00",""
"4131565","9.2436","0.0004","10.9618","0.0004","34.6834","0.0015","90","","90","","90","","3514.3","0.3","100","2","100","2","","","","","","","","3","C 2 2 21","C 2c 2","20","PF156","sarpong138","","- C20 H26 O3 -","- C20 H26 O3 -","- C160 H208 O24 -","8","1","","Finkbeiner, Peter; Murai, Kenichi; Röpke, Michael; Sarpong, Richmond","Total Synthesis of Terpenoids Employing a ""Benzannulation of Carvone"" Strategy: Synthesis of (-)-Crotogoudin.","Journal of the American Chemical Society","2017","139","33","11349","11352","10.1021/jacs.7b06823","","","1.54178","CuKα","","0.0704","0.0664","","","0.1451","0.1468","","","","","","1.127","","","","has coordinates,has disorder","241744","2020-10-21","18:00:00",""
"4131566","11.2752","0.0012","11.761","0.0012","12.3224","0.0013","90","","90","","90","","1634","0.3","100","2","100","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","pf262a","","","- C20 H26 O3 -","- C20 H26 O3 -","- C80 H104 O12 -","4","1","","Finkbeiner, Peter; Murai, Kenichi; Röpke, Michael; Sarpong, Richmond","Total Synthesis of Terpenoids Employing a ""Benzannulation of Carvone"" Strategy: Synthesis of (-)-Crotogoudin.","Journal of the American Chemical Society","2017","139","33","11349","11352","10.1021/jacs.7b06823","","","1.54178","CuKα","","0.0277","0.0277","","","0.0734","0.0735","","","","","","1.063","","","","has coordinates","241745","2020-10-21","18:00:00",""
"4131567","9.16","0.0018","10.94","0.002","17.452","0.004","102.47","0.03","97.46","0.03","95.07","0.03","1680.9","0.7","293","2","293","2","","","","","","","","6","P 1","P 1","1","TpMes CoCl","Cobalt Trispyrazolylmesitylborate chloride","","- C36 H40 B Cl Co N6 -","- C36 H40 B Cl Co N6 -","- C72 H80 B2 Cl2 Co2 N12 -","2","2","","Dubey, Romain J.-C.; Comito, Robert J.; Wu, Zhenwei; Zhang, Guanghui; Rieth, Adam J.; Hendon, Christopher H.; Miller, Jeffrey T.; Dincă, Mircea","Highly Stereoselective Heterogeneous Diene Polymerization by Co-MFU-4l: A Single-Site Catalyst Prepared by Cation Exchange.","Journal of the American Chemical Society","2017","139","36","12664","12669","10.1021/jacs.7b06841","","","0.71073","MoKα","","0.0302","0.028","","","0.0709","0.0721","","","","","","1.029","","","","has coordinates","241746","2020-10-21","18:00:00",""
"4131568","9.0038","0.0014","11.3166","0.0017","17.839","0.003","103.802","0.003","95.013","0.003","94.018","0.003","1750.6","0.5","100","2","100","2","","","","","","","","5","P 1","P 1","1","TpMes CoAllyl","Cobalt Trispyrazolylmesitylborate allyl","","- C39 H45 B Co N6 -","- C39 H45 B Co N6 -","- C78 H90 B2 Co2 N12 -","2","2","","Dubey, Romain J.-C.; Comito, Robert J.; Wu, Zhenwei; Zhang, Guanghui; Rieth, Adam J.; Hendon, Christopher H.; Miller, Jeffrey T.; Dincă, Mircea","Highly Stereoselective Heterogeneous Diene Polymerization by Co-MFU-4l: A Single-Site Catalyst Prepared by Cation Exchange.","Journal of the American Chemical Society","2017","139","36","12664","12669","10.1021/jacs.7b06841","","","0.71073","MoKα","","0.059","0.0444","","","0.1083","0.1154","","","","","","1.036","","","","has coordinates","241747","2020-10-21","18:00:00",""
"4131569","13.5418","0.0012","12.5775","0.0014","14.9257","0.0017","90","","110.15","0.003","90","","2386.6","0.4","100","","100","","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C26 H28 N O3 P Pd -","- C26 H28 N O3 P Pd -","- C104 H112 N4 O12 P4 Pd4 -","4","1","","Zhu, Ru-Yi; Liu, Luo-Yan; Yu, Jin-Quan","Highly Versatile β-C(sp<sup>3</sup>)-H Iodination of Ketones Using a Practical Auxiliary.","Journal of the American Chemical Society","2017","139","36","12394","12397","10.1021/jacs.7b06851","","x-ray","0.71073","MoKα","K-L~3~","0.0313","0.0235","","","0.0563","0.0603","","","","","","1.035","","","","has coordinates","241748","2020-10-21","18:00:00",""
"4131570","13.3492","0.0005","27.9262","0.0013","31.5473","0.0018","73.377","0.004","89.81","0.004","80.969","0.003","11118.6","1","100","2","100.03","","","","","","","","","5","P -1","-P 1","2","","","","- C80 H64 F42 N8 P7 -","- C80 H64 F42 N8 P7 -","- C320 H256 F168 N32 P28 -","4","2","","Sun, Junling; Liu, Zhichang; Liu, Wei-Guang; Wu, Yilei; Wang, Yuping; Barnes, Jonathan C.; Hermann, Keith R.; Goddard, 3rd, William A; Wasielewski, Michael R.; Stoddart, J. Fraser","Mechanical-Bond-Protected, Air-Stable Radicals.","Journal of the American Chemical Society","2017","139","36","12704","12709","10.1021/jacs.7b06857","","","1.54178","CuKα","","0.2088","0.1428","","","0.3722","0.4038","","","","","","1.199","","","","has coordinates","241749","2020-10-21","18:00:00",""
"4131571","13.4859","0.0007","16.4625","0.0008","22.4987","0.0011","86.055","0.002","88.919","0.002","82.503","0.002","4940.3","0.4","100","2","99.99","","","","","","","","","5","P -1","-P 1","2","","","","- C88 H82 F42 N14 P7 -","- C88 H82 F42 N14 P7 -","- C176 H164 F84 N28 P14 -","2","1","","Sun, Junling; Liu, Zhichang; Liu, Wei-Guang; Wu, Yilei; Wang, Yuping; Barnes, Jonathan C.; Hermann, Keith R.; Goddard, 3rd, William A; Wasielewski, Michael R.; Stoddart, J. Fraser","Mechanical-Bond-Protected, Air-Stable Radicals.","Journal of the American Chemical Society","2017","139","36","12704","12709","10.1021/jacs.7b06857","","","1.54178","CuKα","","0.0925","0.0809","","","0.2255","0.2347","","","","","","1.05","","","","has coordinates,has disorder","241750","2020-10-21","18:00:00",""
"4131572","11.0874","0.0005","17.363","0.0007","18.0711","0.0008","90","","97.398","0.003","90","","3449.9","0.3","100","2","100","","","","","","","","","6","P 1 21/m 1","-P 2yb","11","","","","- C70 H62 Br2 F24 N8 P4 -","- C70 H62 Br2 F24 N8 P4 -","- C140 H124 Br4 F48 N16 P8 -","2","0.5","","Sun, Junling; Liu, Zhichang; Liu, Wei-Guang; Wu, Yilei; Wang, Yuping; Barnes, Jonathan C.; Hermann, Keith R.; Goddard, 3rd, William A; Wasielewski, Michael R.; Stoddart, J. Fraser","Mechanical-Bond-Protected, Air-Stable Radicals.","Journal of the American Chemical Society","2017","139","36","12704","12709","10.1021/jacs.7b06857","","","1.54178","CuKα","","0.0795","0.0705","","","0.2042","0.2137","","","","","","1.06","","","","has coordinates,has disorder","241751","2020-10-21","18:00:00",""
"4131573","26.9034","0.0018","11.6349","0.0007","30.983","0.002","90","","113.932","0.002","90","","8864.5","1","110","","110","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C91.5 H72 Co3 N18 O6 -","- C91.5 H69 Co3 N18 O6 -","- C366 H276 Co12 N72 O24 -","4","1","","Alexandropoulos, Dimitris I.; Dolinar, Brian S.; Vignesh, Kuduva R.; Dunbar, Kim R.","Putting a New Spin on Supramolecular Metallacycles: Co<sub>3</sub> Triangle and Co<sub>4</sub> Square Bearing Tetrazine-Based Radicals as Bridges.","Journal of the American Chemical Society","2017","139","32","11040","11043","10.1021/jacs.7b06925","","x-ray","0.71073","MoKα","K-L~3~","0.1194","0.0868","","","0.2157","0.2392","","","","","","1.028","","","","has coordinates,has disorder","241752","2020-10-21","18:00:00",""
"4131574","19.0961","0.0016","33.161","0.003","34.712","0.003","90","","90","","90","","21981","3","200","","200","","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C116.5 H88.26 Co4 N28.25 O8 -","- C116.584 H88.408 Co4 N28.292 O8 -","- C932.672 H707.264 Co32 N226.336 O64 -","8","1","","Alexandropoulos, Dimitris I.; Dolinar, Brian S.; Vignesh, Kuduva R.; Dunbar, Kim R.","Putting a New Spin on Supramolecular Metallacycles: Co<sub>3</sub> Triangle and Co<sub>4</sub> Square Bearing Tetrazine-Based Radicals as Bridges.","Journal of the American Chemical Society","2017","139","32","11040","11043","10.1021/jacs.7b06925","","x-ray","0.71073","MoKα","K-L~3~","0.1228","0.0876","","","0.1854","0.2024","","","","","","1.165","","","","has coordinates,has disorder","241752","2020-10-21","18:00:00",""
"4131575","8.071","0.002","10.749","0.003","19.914","0.005","90","","90","","90","","1727.6","0.8","100","2","100","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C15 H19 Br Cl2 N2 O -","- C15 H19 Br Cl2 N2 O -","- C60 H76 Br4 Cl8 N8 O4 -","4","1","","Maetani, Micah; Zoller, Jochen; Melillo, Bruno; Verho, Oscar; Kato, Nobutaka; Pu, Jun; Comer, Eamon; Schreiber, Stuart L.","Synthesis of a Bicyclic Azetidine with In Vivo Antimalarial Activity Enabled by Stereospecific, Directed C(sp<sup>3</sup>)-H Arylation.","Journal of the American Chemical Society","2017","139","32","11300","11306","10.1021/jacs.7b06994","","","0.71073","MoKα","","0.0447","0.0321","","","0.0748","0.0808","","","","","","1.025","","","","has coordinates,has disorder","241753","2020-10-21","18:00:00",""
"4131576","7.7531","0.0014","6.6125","0.0012","16.284","0.003","90","","94.153","0.003","90","","832.6","0.3","100","2","100","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C19 H16 Br N3 O -","- C19 H16 Br N3 O -","- C38 H32 Br2 N6 O2 -","2","1","","Maetani, Micah; Zoller, Jochen; Melillo, Bruno; Verho, Oscar; Kato, Nobutaka; Pu, Jun; Comer, Eamon; Schreiber, Stuart L.","Synthesis of a Bicyclic Azetidine with In Vivo Antimalarial Activity Enabled by Stereospecific, Directed C(sp<sup>3</sup>)-H Arylation.","Journal of the American Chemical Society","2017","139","32","11300","11306","10.1021/jacs.7b06994","","","0.71073","MoKα","","0.0248","0.0231","","","0.057","0.0577","","","","","","1.067","","","","has coordinates","241754","2020-10-21","18:00:00",""
"4131577","22.747","0.003","13.7801","0.0018","15.497","0.002","90","","119.541","0.002","90","","4226.2","1","296","2","296","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C33 H44 Mn2 Mo N19 O4 -","- C33 H44 Mn2 Mo N19 O4 -","- C132 H176 Mn8 Mo4 N76 O16 -","4","0.5","","Wu, Dong-Qing; Shao, Dong; Wei, Xiao-Qin; Shen, Fu-Xing; Shi, Le; Kempe, David; Zhang, Yuan-Zhu; Dunbar, Kim R.; Wang, Xin-Yi","Reversible On-Off Switching of a Single-Molecule Magnet via a Crystal-to-Crystal Chemical Transformation.","Journal of the American Chemical Society","2017","139","34","11714","11717","10.1021/jacs.7b07008","","","0.71073","MoKα","","0.0834","0.0482","","","0.106","0.1216","","","","","","1.023","","","","has coordinates","241755","2020-10-21","18:00:00",""
"4131578","15.059","0.008","13.982","0.008","19.194","0.01","90","","99.926","0.008","90","","3981","4","296","2","296","2","","","","","","","","6","C 1 2/m 1","-C 2y","12","","","","- C66 H72 Mn4 Mo2 N38 O2 -","- C66 H72 Mn4 Mo2 N38 O2 -","- C132 H144 Mn8 Mo4 N76 O4 -","2","0.25","","Wu, Dong-Qing; Shao, Dong; Wei, Xiao-Qin; Shen, Fu-Xing; Shi, Le; Kempe, David; Zhang, Yuan-Zhu; Dunbar, Kim R.; Wang, Xin-Yi","Reversible On-Off Switching of a Single-Molecule Magnet via a Crystal-to-Crystal Chemical Transformation.","Journal of the American Chemical Society","2017","139","34","11714","11717","10.1021/jacs.7b07008","","","0.71073","MoKα","","0.0732","0.0534","","","0.1424","0.1607","","","","","","1.078","","","","has coordinates","241755","2020-10-21","18:00:00",""
"4131579","7.967","0.001","8.4581","0.0011","30.254","0.004","90","","90","","90","","2038.7","0.5","293","2","293","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C18 H21 I O8 -","- C18 H21 I O8 -","- C72 H84 I4 O32 -","4","1","","Hu, Yang; Yu, Ke; Shi, Li-Li; Liu, Lei; Sui, Jing-Jing; Liu, De-Yong; Xiong, Bin; Sun, Jian-Song","o-(p-Methoxyphenylethynyl)phenyl Glycosides: Versatile New Glycosylation Donors for the Highly Efficient Construction of Glycosidic Linkages.","Journal of the American Chemical Society","2017","139","36","12736","12744","10.1021/jacs.7b07020","","","0.71073","MoKα","","0.0369","0.0345","","","0.0774","0.0787","","","","","","1.088","","","","has coordinates","241756","2020-10-21","18:00:00",""
"4131580","11.3973","0.0016","9.3083","0.0013","12.632","0.0017","90","","111.857","0.003","90","","1243.8","0.3","293","2","293","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C21 H22 F3 I O10 -","- C21 H22 F3 I O10 -","- C42 H44 F6 I2 O20 -","2","1","","Hu, Yang; Yu, Ke; Shi, Li-Li; Liu, Lei; Sui, Jing-Jing; Liu, De-Yong; Xiong, Bin; Sun, Jian-Song","o-(p-Methoxyphenylethynyl)phenyl Glycosides: Versatile New Glycosylation Donors for the Highly Efficient Construction of Glycosidic Linkages.","Journal of the American Chemical Society","2017","139","36","12736","12744","10.1021/jacs.7b07020","","","0.71073","MoKα","","0.04","0.0381","","","0.1026","0.1044","","","","","","1.053","","","","has coordinates,has disorder","241757","2020-10-21","18:00:00",""
"4131581","10.12744","0.00005","10.12744","0.00005","28.887","0.0003","90","","90","","90","","2962.8","0.04","100.01","0.1","100.01","0.1","","","","","","","","6","P 43 21 2","P 4nw 2abw","96","","","","- C14 H17 Cl F3 N O -","- C14 H17 Cl F3 N O -","- C112 H136 Cl8 F24 N8 O8 -","8","1","","Pedroni, Julia; Cramer, Nicolai","Enantioselective C-H Functionalization-Addition Sequence Delivers Densely Substituted 3-Azabicyclo[3.1.0]hexanes.","Journal of the American Chemical Society","2017","139","36","12398","12401","10.1021/jacs.7b07024","","x-ray","1.54184","CuKα","","0.0203","0.0199","","","0.0533","0.0536","","","","","","1.096","","","","has coordinates","241758","2020-10-21","18:00:00",""
"4131582","14.22616","0.00019","24.8597","0.0004","37.9388","0.0004","81.9672","0.001","87.8161","0.001","76.5409","0.0012","12920.6","0.3","120","0.1","120","0.1","","","","","","","","9","P -1","-P 1","2","","","","- C12 H199 As2 Co9 N2 Na25 O269 P6 W45 -","- C12 H12 As2 Co9 N2 Na25 O269 P6 W45 -","- C24 H24 As4 Co18 N4 Na50 O538 P12 W90 -","2","1","","Yi, Xiaofeng; Izarova, Natalya V.; Stuckart, Maria; Guérin, David; Thomas, Louis; Lenfant, Stéphane; Vuillaume, Dominique; van Leusen, Jan; Duchoň, Tomáš; Nemšák, Slavomír; Bourone, Svenja D. M.; Schmitz, Sebastian; Kögerler, Paul","Probing Frontier Orbital Energies of {Co<sub>9</sub>(P<sub>2</sub>W<sub>15</sub>)<sub>3</sub>} Polyoxometalate Clusters at Molecule-Metal and Molecule-Water Interfaces.","Journal of the American Chemical Society","2017","139","41","14501","14510","10.1021/jacs.7b07034","","","0.71073","MoKα","","0.0771","0.0643","","","0.1374","0.1443","","","","","","1.142","","","","has coordinates,has disorder","241759","2020-10-21","18:00:00",""
"4131583","25.8088","0.0003","25.8336","0.0003","27.1598","0.0003","78.1282","0.0011","61.7276","0.0014","60.622","0.0014","13888.9","0.4","120","0.1","120","0.1","","","","","","","","8","P -1","-P 1","2","","","","- C12 H197 As2 Co9 Na25 O269 P6 W45 -","- C12 H10 As2 Co9 Na16.27 O243 P6 W45 -","- C24 H20 As4 Co18 Na32.54 O486 P12 W90 -","2","1","","Yi, Xiaofeng; Izarova, Natalya V.; Stuckart, Maria; Guérin, David; Thomas, Louis; Lenfant, Stéphane; Vuillaume, Dominique; van Leusen, Jan; Duchoň, Tomáš; Nemšák, Slavomír; Bourone, Svenja D. M.; Schmitz, Sebastian; Kögerler, Paul","Probing Frontier Orbital Energies of {Co<sub>9</sub>(P<sub>2</sub>W<sub>15</sub>)<sub>3</sub>} Polyoxometalate Clusters at Molecule-Metal and Molecule-Water Interfaces.","Journal of the American Chemical Society","2017","139","41","14501","14510","10.1021/jacs.7b07034","","","0.71073","MoKα","","0.0923","0.0614","","","0.145","0.1698","","","","","","1.057","","","","has coordinates","241760","2020-10-21","18:00:00",""
"4131584","12.9317","0.0005","22.3762","0.0009","18.9484","0.0006","90","","104.763","0.002","90","","5302","0.3","100","2","100.05","","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C40 H44 Cu0.67 K0.67 N2 O4 -","- C40 H44 Cu0.666667 K0.666667 N2 O4 -","- C240 H264 Cu4 K4 N12 O24 -","6","1.5","","Ahn, Jun Myun; Ratani, Tanvi S.; Hannoun, Kareem I.; Fu, Gregory C.; Peters, Jonas C.","Photoinduced, Copper-Catalyzed Alkylation of Amines: A Mechanistic Study of the Cross-Coupling of Carbazole with Alkyl Bromides.","Journal of the American Chemical Society","2017","139","36","12716","12723","10.1021/jacs.7b07052","","","1.54178","CuKα","","0.1845","0.1065","","","0.2568","0.3014","","","","","","1.043","","","","has coordinates,has disorder","241761","2020-10-21","18:00:00",""
"4131585","19.7038","0.0015","26.008","0.002","35.273","0.003","90","","90","","90","","18076","2","100","2","100","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","7","","","- C81 H121 Cu O9 P2 Si2 -","- C81 H121 Cu O9 P2 Si2 -","- C648 H968 Cu8 O72 P16 Si16 -","8","2","","Xi, Yumeng; Hartwig, John F.","Mechanistic Studies of Copper-Catalyzed Asymmetric Hydroboration of Alkenes.","Journal of the American Chemical Society","2017","139","36","12758","12772","10.1021/jacs.7b07124","","","0.71073","MoKα","","0.0969","0.0678","","","0.1711","0.1908","","","","","","1.023","","","","has coordinates,has disorder","241762","2020-10-21","18:00:00",""
"4131586","13.8472","0.0011","23.0453","0.0015","29.284","0.002","90","","90","","90","","9344.9","1.2","100","2","100","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","YX3-287","6","","- C74 H100 Cl Cu O8 P2 -","- C74 H100 Cl Cu O8 P2 -","- C296 H400 Cl4 Cu4 O32 P8 -","4","1","","Xi, Yumeng; Hartwig, John F.","Mechanistic Studies of Copper-Catalyzed Asymmetric Hydroboration of Alkenes.","Journal of the American Chemical Society","2017","139","36","12758","12772","10.1021/jacs.7b07124","","","0.71073","MoKα","","0.0971","0.0718","","","0.1748","0.185","","","","","","1.061","","","","has coordinates","241763","2020-10-21","18:00:00",""
"4131587","19.5026","0.0011","26.0918","0.0016","35.42","0.002","90","","90","","90","","18023.7","1.8","100","2","100","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","16","","- C74 H104 B Cu O8 P2 -","- C74 H104 B Cu O8 P2 -","- C592 H832 B8 Cu8 O64 P16 -","8","2","","Xi, Yumeng; Hartwig, John F.","Mechanistic Studies of Copper-Catalyzed Asymmetric Hydroboration of Alkenes.","Journal of the American Chemical Society","2017","139","36","12758","12772","10.1021/jacs.7b07124","","","1.54178","CuKα","","0.0547","0.0458","","","0.1175","0.1229","","","","","","1.065","","","","has coordinates","241764","2020-10-21","18:00:00",""
"4131588","21.5938","0.0004","21.5938","0.0004","17.8485","0.0004","90","","90","","90","","8322.6","0.3","200","2","200","2","","","","","","","","5","P 4","P 4","75","","27","","- C76 H58 Cu2 O8 P4 -","- C76 H58 Cu2 O8 P4 -","- C304 H232 Cu8 O32 P16 -","4","1","","Xi, Yumeng; Hartwig, John F.","Mechanistic Studies of Copper-Catalyzed Asymmetric Hydroboration of Alkenes.","Journal of the American Chemical Society","2017","139","36","12758","12772","10.1021/jacs.7b07124","","","1.54178","CuKα","","0.0941","0.0799","","","0.2013","0.2204","","","","","","1.066","","","","has coordinates","241765","2020-10-21","18:00:00",""
"4131589","14.0112","0.0009","23.8266","0.0017","28.7899","0.0019","90","","90","","90","","9611.2","1.1","100","2","100","2","","","","","","","","7","P 21 21 21","P 2ac 2ab","19","","12","","- C102 H142 Cu F O9 P2 Si2 -","- C102 H142 Cu F O9 P2 Si2 -","- C408 H568 Cu4 F4 O36 P8 Si8 -","4","1","","Xi, Yumeng; Hartwig, John F.","Mechanistic Studies of Copper-Catalyzed Asymmetric Hydroboration of Alkenes.","Journal of the American Chemical Society","2017","139","36","12758","12772","10.1021/jacs.7b07124","","","1.54178","CuKα","","0.1089","0.1031","","","0.2649","0.2704","","","","","","1.09","","","","has coordinates","241766","2020-10-21","18:00:00",""
"4131590","6.81","0.0014","13.68","0.003","11.66","0.002","90","","90.35","0.03","90","","1086.2","0.4","100","","100","","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C16 H28 Br4 Cu2 N2 O2 -","- C16 H28 Br4 Cu2 N2 O2 -","- C32 H56 Br8 Cu4 N4 O4 -","2","0.5","","Walroth, Richard C.; Miles, Kelsey C.; Lukens, James T.; MacMillan, Samantha N.; Stahl, Shannon S.; Lancaster, Kyle M.","Electronic Structural Analysis of Copper(II)-TEMPO/ABNO Complexes Provides Evidence for Copper(I)-Oxoammonium Character.","Journal of the American Chemical Society","2017","139","38","13507","13517","10.1021/jacs.7b07186","","x-ray","0.71073","MoKα","","0.0371","0.037","","","0.1098","0.1098","","","","","","1.196","","","","has coordinates","241767","2020-10-21","18:00:00",""
"4131591","6.8286","0.0001","13.2674","0.0003","11.3528","0.0002","90","","90.371","0.001","90","","1028.52","0.03","100","2","100","","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C16 H28 Cl4 Cu2 N2 O2 -","- C16 H28 Cl4 Cu2 N2 O2 -","- C32 H56 Cl8 Cu4 N4 O4 -","2","0.5","","Walroth, Richard C.; Miles, Kelsey C.; Lukens, James T.; MacMillan, Samantha N.; Stahl, Shannon S.; Lancaster, Kyle M.","Electronic Structural Analysis of Copper(II)-TEMPO/ABNO Complexes Provides Evidence for Copper(I)-Oxoammonium Character.","Journal of the American Chemical Society","2017","139","38","13507","13517","10.1021/jacs.7b07186","","x-ray","0.71073","MoKα","","0.0172","0.0161","","","0.0465","0.047","","","","","","1.099","","","","has coordinates","241768","2020-10-21","18:00:00",""
"4131592","17.9409","0.0013","5.0852","0.0004","23.236","0.0018","90","","91.934","0.007","90","","2118.7","0.3","293","2","293","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C14 H9 N O -","- C14 H9 N O -","- C112 H72 N8 O8 -","8","1","","Tan, Guangying; Zhu, Lei; Liao, Xingrong; Lan, Yu; You, Jingsong","Rhodium/Copper Cocatalyzed Highly trans-Selective 1,2-Diheteroarylation of Alkynes with Azoles via C-H Addition/Oxidative Cross-Coupling: A Combined Experimental and Theoretical Study.","Journal of the American Chemical Society","2017","139","44","15724","15737","10.1021/jacs.7b07242","","x-ray","1.54184","CuKα","","0.1303","0.0872","","","0.2421","0.3121","","","","","","1.045","","","","has coordinates","241769","2020-10-21","18:00:00",""
"4131593","11.4352","0.0003","5.89377","0.00016","23.7233","0.0008","90","","103.54","0.003","90","","1554.43","0.08","293.52","0.1","293.52","0.1","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C21 H15 N O -","- C21 H15 N O -","- C84 H60 N4 O4 -","4","1","","Tan, Guangying; Zhu, Lei; Liao, Xingrong; Lan, Yu; You, Jingsong","Rhodium/Copper Cocatalyzed Highly trans-Selective 1,2-Diheteroarylation of Alkynes with Azoles via C-H Addition/Oxidative Cross-Coupling: A Combined Experimental and Theoretical Study.","Journal of the American Chemical Society","2017","139","44","15724","15737","10.1021/jacs.7b07242","","x-ray","1.54184","CuKα","","0.0579","0.0532","","","0.1396","0.1476","","","","","","1.039","","","","has coordinates","241770","2020-10-21","18:00:00",""
"4131594","21.4506","0.0017","21.4506","0.0017","28.554","0.003","90","","90","","90","","13139","2","100.01","0.1","100.01","0.1","","","","","","","","8","P 4/n c c :2","-P 4a 2ac","130","","","","- C64 H128 Co12 Mo6 N4 O19 P8 Se16 -","- C64 H128 Co12 Mo6 N4 O19 P8 Se16 -","- C256 H512 Co48 Mo24 N16 O76 P32 Se64 -","4","0.25","","Champsaur, Anouck M.; Mézière, Cécile; Allain, Magali; Paley, Daniel W.; Steigerwald, Michael L.; Nuckolls, Colin; Batail, Patrick","Weaving Nanoscale Cloth through Electrostatic Templating.","Journal of the American Chemical Society","2017","139","34","11718","11721","10.1021/jacs.7b07279","","x-ray","1.54184","CuKα","","0.1906","0.0997","","","0.24","0.3005","","","","","","0.98","","","","has coordinates,has disorder","241771","2020-10-21","18:00:00",""
"4131595","21.65893","0.00019","21.65893","0.00019","28.918","0.0004","90","","90","","90","","13565.7","0.3","100.01","0.1","100.01","0.1","","","","","","","","8","P 4/n c c :2","-P 4a 2ac","130","","","","- C82.18 H149.09 Co12 Mo6 N6.55 O21 P8 Se16 -","- C82.176 H149.088 Co12 Mo6 N6.544 O21 P8 Se16 -","- C328.704 H596.352 Co48 Mo24 N26.176 O84 P32 Se64 -","4","0.25","","Champsaur, Anouck M.; Mézière, Cécile; Allain, Magali; Paley, Daniel W.; Steigerwald, Michael L.; Nuckolls, Colin; Batail, Patrick","Weaving Nanoscale Cloth through Electrostatic Templating.","Journal of the American Chemical Society","2017","139","34","11718","11721","10.1021/jacs.7b07279","","x-ray","1.54184","CuKα","","0.0526","0.0422","","","0.1061","0.115","","","","","","1.05","","","","has coordinates,has disorder","241772","2020-10-21","18:00:00",""
"4131596","5.7214","0.0003","9.7243","0.0006","31.378","0.002","90","","90","","90","","1745.77","0.18","100","","100","","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C17 H24 Br N O S -","- C17 H24 Br N O S -","- C68 H96 Br4 N4 O4 S4 -","4","1","","Chogii, Isaac; Das, Pradipta; Fell, Jason S.; Scott, Kevin A.; Crawford, Mark N.; Houk, K. N.; Njardarson, Jon T.","New Class of Anion-Accelerated Amino-Cope Rearrangements as Gateway to Diverse Chiral Structures.","Journal of the American Chemical Society","2017","139","37","13141","13146","10.1021/jacs.7b07319","","","0.71073","MoKα","","0.0557","0.05","","","0.1117","0.1137","","","","","","1.147","","","","has coordinates","241773","2020-10-21","18:00:00",""
"4131597","5.6544","0.0002","10.156","0.0005","34.5988","0.0015","90","","90","","90","","1986.87","0.15","100","2","100.02","","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C23 H25 N O2 S -","- C23 H25 N O2 S -","- C92 H100 N4 O8 S4 -","4","1","","Chogii, Isaac; Das, Pradipta; Fell, Jason S.; Scott, Kevin A.; Crawford, Mark N.; Houk, K. N.; Njardarson, Jon T.","New Class of Anion-Accelerated Amino-Cope Rearrangements as Gateway to Diverse Chiral Structures.","Journal of the American Chemical Society","2017","139","37","13141","13146","10.1021/jacs.7b07319","","","0.71073","MoKα","","0.0375","0.0324","","","0.0927","0.0986","","","","","","0.772","","","","has coordinates","241774","2020-10-21","18:00:00",""
"4131598","21.096","0.006","36.965","0.01","44.576","0.013","90","","90","","90","","34761","17","93","2","93","2","","","","","","","","3","F d d d :2","-F 2uv 2vw","70","","","","- C44 H35 N1.5 -","- C44 H35 N1.5 -","- C1408 H1120 N48 -","32","1","","Lu, Xuefeng; Lee, Sangsu; Hong, Yongseok; Phan, Hoa; Gopalakrishna, Tullimilli Y.; Herng, Tun Seng; Tanaka, Takayuki; Sandoval-Salinas, María Eugenia; Zeng, Wangdong; Ding, Jun; Casanova, David; Osuka, Atsuhiro; Kim, Dongho; Wu, Jishan","Fluorenyl Based Macrocyclic Polyradicaloids.","Journal of the American Chemical Society","2017","139","37","13173","13183","10.1021/jacs.7b07335","","","1.54187","CuKα","","0.1201","0.092","","","0.243","0.276","","","","","","1.052","","","","has coordinates,has disorder","241775","2020-10-21","18:00:00",""
"4131599","9.6","0.003","10.02","0.003","11.759","0.004","109.47","0.018","104.215","0.011","99.016","0.016","997.9","0.6","100","2","100.05","","","","","","","","","5","P -1","-P 1","2","","","","- C18 H25 N3 O2 Pd -","- C18 H25 N3 O2 Pd -","- C36 H50 N6 O4 Pd2 -","2","1","","Tereniak, Stephen J.; Stahl, Shannon S.","Mechanistic Basis for Efficient, Site-Selective, Aerobic Catalytic Turnover in Pd-Catalyzed C-H Imidoylation of Heterocycle-Containing Molecules.","Journal of the American Chemical Society","2017","139","41","14533","14541","10.1021/jacs.7b07359","","","0.71073","MoKα","","0.0289","0.0244","","","0.0518","0.0536","","","","","","1.029","","","","has coordinates","241776","2020-10-21","18:00:00",""
"4131600","10.628","0.003","11.741","0.0017","19.964","0.003","103.971","0.005","99.063","0.007","92.649","0.011","2378.1","0.8","100","2","99.91","","","","","","","","","5","P -1","-P 1","2","","","","- C48 H56 N4 O8 Pd4 -","- C48 H56 N4 O8 Pd4 -","- C96 H112 N8 O16 Pd8 -","2","1","","Tereniak, Stephen J.; Stahl, Shannon S.","Mechanistic Basis for Efficient, Site-Selective, Aerobic Catalytic Turnover in Pd-Catalyzed C-H Imidoylation of Heterocycle-Containing Molecules.","Journal of the American Chemical Society","2017","139","41","14533","14541","10.1021/jacs.7b07359","","","1.54178","CuKα","","0.021","0.0199","","","0.0536","0.0542","","","","","","1.09","","","","has coordinates,has disorder","241778","2020-10-21","18:00:00",""
"4131601","10.0503","0.0008","8.7166","0.0005","15.0873","0.0009","90","","91.12","0.003","90","","1321.46","0.15","100","","100","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C12 H13 N3 O2 Pd -","- C12 H13 N3 O2 Pd -","- C48 H52 N12 O8 Pd4 -","4","1","","Tereniak, Stephen J.; Stahl, Shannon S.","Mechanistic Basis for Efficient, Site-Selective, Aerobic Catalytic Turnover in Pd-Catalyzed C-H Imidoylation of Heterocycle-Containing Molecules.","Journal of the American Chemical Society","2017","139","41","14533","14541","10.1021/jacs.7b07359","","x-ray","1.54178","CuKα","","0.0158","0.0156","","","0.0387","0.0387","","","","","","1.131","","","","has coordinates","241779","2020-10-21","18:00:00",""
"4131602","9.40913","0.00014","5.77298","0.00008","15.8083","0.0002","90","","95.2361","0.0015","90","","855.1","0.02","100","0.1","100","0.1","","","","","","","","3","P 1 21 1","P 2yb","4","","","","- C20 H26 O4 -","- C20 H26 O4 -","- C40 H52 O8 -","2","1","","Zhang, Peng-Peng; Yan, Zhi-Ming; Li, Yuan-He; Gong, Jian-Xian; Yang, Zhen","Enantioselective Total Synthesis of (-)-Pavidolide B.","Journal of the American Chemical Society","2017","139","40","13989","13992","10.1021/jacs.7b07388","","x-ray","1.54184","CuKα","","0.03","0.0293","","","0.0767","0.0774","","","","","","1.037","","","","has coordinates","241780","2020-10-21","18:00:00",""
"4131603","11.5612","0.0002","6.2572","0.0001","11.9279","0.0002","90","","108.933","0.002","90","","816.19","0.03","100","0.1","100","0.1","","","","","","","","3","P 1 21 1","P 2yb","4","","","","- C18 H24 O4 -","- C18 H24 O4 -","- C36 H48 O8 -","2","1","","Zhang, Peng-Peng; Yan, Zhi-Ming; Li, Yuan-He; Gong, Jian-Xian; Yang, Zhen","Enantioselective Total Synthesis of (-)-Pavidolide B.","Journal of the American Chemical Society","2017","139","40","13989","13992","10.1021/jacs.7b07388","","x-ray","1.54184","CuKα","","0.0378","0.0373","","","0.0985","0.099","","","","","","1.081","","","","has coordinates","241781","2020-10-21","18:00:00",""
"4131604","12.1126","0.0016","14.208","0.002","15.083","0.002","113.528","0.004","90.375","0.004","112.6","0.004","2157.6","0.5","100","","100","","","","","","","","","6","P -1","-P 1","2","Bis-2,6-pyridinedicarboxaldhydebis(p-aminophenylimine) cobalt tetrafluoroborate","","","- C42 H40 B2 Co F8 N12 -","- C42 H40 B2 Co F8 N12 -","- C84 H80 B4 Co2 F16 N24 -","2","1","","Zhao, Yingbo; Guo, Lei; Gándara, Felipe; Ma, Yanhang; Liu, Zheng; Zhu, Chenhui; Lyu, Hao; Trickett, Christopher A.; Kapustin, Eugene A.; Terasaki, Osamu; Yaghi, Omar M.","A Synthetic Route for Crystals of Woven Structures, Uniform Nanocrystals, and Thin Films of Imine Covalent Organic Frameworks.","Journal of the American Chemical Society","2017","139","37","13166","13172","10.1021/jacs.7b07457","","","0.7749","synchrotron","","0.1247","0.081","","","0.1841","0.205","","","","","","1.035","","","","has coordinates","241782","2020-10-21","18:00:00",""
"4131605","12.501","0.0012","17.5618","0.0016","24.024","0.002","90","","90","","90","","5274.2","0.8","100","2","100","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C46 H87 N5 O7 -","- C46 H87 N5 O7 -","- C184 H348 N20 O28 -","4","1","","Roy, Olivier; Dumonteil, Geoffrey; Faure, Sophie; Jouffret, Laurent; Kriznik, Alexandre; Taillefumier, Claude","Homogeneous and Robust Polyproline Type I Helices from Peptoids with Nonaromatic α-Chiral Side Chains.","Journal of the American Chemical Society","2017","139","38","13533","13540","10.1021/jacs.7b07475","","","0.71073","MoKα","","0.0619","0.0401","","","0.0909","0.1005","","","","","","1.031","","","","has coordinates","241783","2020-10-21","18:00:00",""
"4131606","17.686","0.004","19.331","0.004","23.621","0.005","90","0.03","90","0.03","90","0.03","8076","3","100","2","100","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C269.5 H521.4 N32 O47.17 -","- C269.516 H521.376 N32 O47.172 -","- C269.516 H521.376 N32 O47.172 -","1","0.25","","Roy, Olivier; Dumonteil, Geoffrey; Faure, Sophie; Jouffret, Laurent; Kriznik, Alexandre; Taillefumier, Claude","Homogeneous and Robust Polyproline Type I Helices from Peptoids with Nonaromatic α-Chiral Side Chains.","Journal of the American Chemical Society","2017","139","38","13533","13540","10.1021/jacs.7b07475","","","0.71073","MoKα","","0.1004","0.0787","","","0.2156","0.2352","","","","","","1.05","","","","has coordinates,has disorder","241784","2020-10-21","18:00:00",""
"4131607","12.6885","0.0011","8.7452","0.0007","15.7923","0.0013","90","","100.645","0.0019","90","","1722.2","0.2","173","2","173","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C18 H16 Cl2 N2 O2 -","- C18 H16 Cl2 N2 O2 -","- C72 H64 Cl8 N8 O8 -","4","1","","Gieshoff, Tile; Kehl, Anton; Schollmeyer, Dieter; Moeller, Kevin D.; Waldvogel, Siegfried R.","Insights into the Mechanism of Anodic N-N Bond Formation by Dehydrogenative Coupling.","Journal of the American Chemical Society","2017","139","35","12317","12324","10.1021/jacs.7b07488","","","0.71073","MoKα","","0.0606","0.0437","","","0.1011","0.1097","","","","","","1.035","","","","has coordinates","241785","2020-10-21","18:00:00",""
"4131608","9.6978","0.0007","19.0063","0.0012","9.8181","0.0007","90","","107.945","0.002","90","","1721.6","0.2","173","2","173","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C18 H16 Cl2 N2 O2 -","- C18 H16 Cl2 N2 O2 -","- C72 H64 Cl8 N8 O8 -","4","1","","Gieshoff, Tile; Kehl, Anton; Schollmeyer, Dieter; Moeller, Kevin D.; Waldvogel, Siegfried R.","Insights into the Mechanism of Anodic N-N Bond Formation by Dehydrogenative Coupling.","Journal of the American Chemical Society","2017","139","35","12317","12324","10.1021/jacs.7b07488","","","0.71073","MoKα","","0.0828","0.065","","","0.1528","0.1617","","","","","","1.107","","","","has coordinates,has disorder","241786","2020-10-21","18:00:00",""
"4131609","10.0415","0.0012","10.4848","0.0013","14.889","0.0016","90.901","0.009","108.084","0.009","116.848","0.009","1306.8","0.3","193","2","193","2","","","","","","","","6","P -1","-P 1","2","","","","- C22 H19 F9 N2 O6 S -","- C22 H19 F9 N2 O6 S -","- C44 H38 F18 N4 O12 S2 -","2","1","","Gieshoff, Tile; Kehl, Anton; Schollmeyer, Dieter; Moeller, Kevin D.; Waldvogel, Siegfried R.","Insights into the Mechanism of Anodic N-N Bond Formation by Dehydrogenative Coupling.","Journal of the American Chemical Society","2017","139","35","12317","12324","10.1021/jacs.7b07488","","","1.54178","CuKα","","0.3263","0.1821","","","0.4253","0.5386","","","","","","1.33","","","","has coordinates","241787","2020-10-21","18:00:00",""
"4131610","14.714","0.0006","15.8048","0.0007","17.2717","0.0007","78.062","0.001","69.374","0.001","64.016","0.001","3372.5","0.2","150","2","150","2","","","","","","","synthesis as described","6","P -1","-P 1","2","","","","- C45.33 H18.67 Cl4 F10 N6 O4 -","- C45.3333 H18.6667 Cl4 F10 N6 O4 -","- C136 H56 Cl12 F30 N18 O12 -","3","1.5","","Ruffin, Hervé; Nyame Mendendy Boussambe, Gildas; Roisnel, Thierry; Dorcet, Vincent; Boitrel, Bernard; Le Gac, Stéphane","Tren-Capped Hexaphyrin Zinc Complexes: Interplaying Molecular Recognition, Möbius Aromaticity, and Chirality.","Journal of the American Chemical Society","2017","139","39","13847","13857","10.1021/jacs.7b07559","","x-ray","0.71073","MoKα","","0.1414","0.116","","","0.3138","0.3325","","","","","","1.045","","","","has coordinates,has disorder","241788","2020-10-21","18:00:00",""
"4131611","18.035","0.002","31.918","0.004","16.6641","0.0018","90","","112.641","0.004","90","","8853.3","1.8","150","2","150","2","","","","","","","synthesis as described","5","P 1 21/c 1","-P 2ybc","14","","","","- C84 H64 F15 N13 O3 -","- C84 H64 F15 N13 O3 -","- C336 H256 F60 N52 O12 -","4","1","","Ruffin, Hervé; Nyame Mendendy Boussambe, Gildas; Roisnel, Thierry; Dorcet, Vincent; Boitrel, Bernard; Le Gac, Stéphane","Tren-Capped Hexaphyrin Zinc Complexes: Interplaying Molecular Recognition, Möbius Aromaticity, and Chirality.","Journal of the American Chemical Society","2017","139","39","13847","13857","10.1021/jacs.7b07559","","x-ray","0.71073","MoKα","","0.1472","0.1062","","","0.2874","0.3228","","","","","","1.029","","","","has coordinates,has disorder","241788","2020-10-21","18:00:00",""
"4131612","14.8223","0.0007","30.7285","0.0017","27.9264","0.0015","90","","97.487","0.002","90","","12611.1","1.1","150","","150","","","","","","","","synthesis as described","8","P 1 21/n 1","-P 2yn","14","","","","- C108 H86 Cl6 F18 N14 O8 S Zn -","- C108 H86 Cl6 F18 N14 O8 S Zn -","- C432 H344 Cl24 F72 N56 O32 S4 Zn4 -","4","1","","Ruffin, Hervé; Nyame Mendendy Boussambe, Gildas; Roisnel, Thierry; Dorcet, Vincent; Boitrel, Bernard; Le Gac, Stéphane","Tren-Capped Hexaphyrin Zinc Complexes: Interplaying Molecular Recognition, Möbius Aromaticity, and Chirality.","Journal of the American Chemical Society","2017","139","39","13847","13857","10.1021/jacs.7b07559","","x-ray","0.71073","MoKα","","0.1812","0.1208","","","0.2972","0.3335","","","","","","1.025","","","","has coordinates","241788","2020-10-21","18:00:00",""
"4131613","13.5506","0.0014","17.0353","0.0017","19.4352","0.0019","90","","96.963","0.001","90","","4453.3","0.8","273","2","273","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C24 H22 N2 O4 -","- C24 H22 N2 O4 -","- C192 H176 N16 O32 -","8","2","","Kuznetsov, Dmitry M.; Kutateladze, Andrei G.","Step-Economical Photoassisted Diversity-Oriented Synthesis: Sustaining Cascade Photoreactions in Oxalyl Anilides to Access Complex Polyheterocyclic Molecular Architectures.","Journal of the American Chemical Society","2017","139","46","16584","16590","10.1021/jacs.7b07598","","","0.71073","MoKα","","0.0686","0.0487","","","0.1059","0.1164","","","","","","1.053","","","","has coordinates","241789","2020-10-21","18:00:00",""
"4131614","10.165","0.0001","15.7014","0.0002","11.7761","0.0002","90","","95.618","0.001","90","","1870.49","0.04","296","2","296","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C23 H20 N2 O4 -","- C23 H20 N2 O4 -","- C92 H80 N8 O16 -","4","1","","Kuznetsov, Dmitry M.; Kutateladze, Andrei G.","Step-Economical Photoassisted Diversity-Oriented Synthesis: Sustaining Cascade Photoreactions in Oxalyl Anilides to Access Complex Polyheterocyclic Molecular Architectures.","Journal of the American Chemical Society","2017","139","46","16584","16590","10.1021/jacs.7b07598","","","0.71073","MoKα","","0.042","0.0382","","","0.1033","0.1077","","","","","","0.995","","","","has coordinates","241790","2020-10-21","18:00:00",""
"4131615","19.1625","0.0006","9.8346","0.0002","10.853","0.0003","90","","103.106","0.002","90","","1992.03","0.09","296","2","296","2","","","","","","","","4","C 1 c 1","C -2yc","9","","","","- C24 H22 N2 O4 -","- C24 H22 N2 O4 -","- C96 H88 N8 O16 -","4","1","","Kuznetsov, Dmitry M.; Kutateladze, Andrei G.","Step-Economical Photoassisted Diversity-Oriented Synthesis: Sustaining Cascade Photoreactions in Oxalyl Anilides to Access Complex Polyheterocyclic Molecular Architectures.","Journal of the American Chemical Society","2017","139","46","16584","16590","10.1021/jacs.7b07598","","","0.71073","MoKα","","0.0306","0.0292","","","0.0821","0.0838","","","","","","0.997","","","","has coordinates","241791","2020-10-21","18:00:00",""
"4131616","7.8713","0.0001","12.6867","0.0002","21.0416","0.0004","90","","90","","90","","2101.23","0.06","296","2","296","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C25 H22 N2 O6 -","- C25 H22 N2 O6 -","- C100 H88 N8 O24 -","4","1","","Kuznetsov, Dmitry M.; Kutateladze, Andrei G.","Step-Economical Photoassisted Diversity-Oriented Synthesis: Sustaining Cascade Photoreactions in Oxalyl Anilides to Access Complex Polyheterocyclic Molecular Architectures.","Journal of the American Chemical Society","2017","139","46","16584","16590","10.1021/jacs.7b07598","","","0.71073","MoKα","","0.0658","0.0476","","","0.088","0.0961","","","","","","0.98","","","","has coordinates","241792","2020-10-21","18:00:00",""
"4131617","22.2584","0.0014","8.3015","0.0008","12.3291","0.0008","90","","114.434","0.001","90","","2074.1","0.3","296","2","296","2","","","","","","","","5","C 1 c 1","C -2yc","9","","","","- C24 H20 Br N3 O5 -","- C24 H20 Br N3 O5 -","- C96 H80 Br4 N12 O20 -","4","1","","Kuznetsov, Dmitry M.; Kutateladze, Andrei G.","Step-Economical Photoassisted Diversity-Oriented Synthesis: Sustaining Cascade Photoreactions in Oxalyl Anilides to Access Complex Polyheterocyclic Molecular Architectures.","Journal of the American Chemical Society","2017","139","46","16584","16590","10.1021/jacs.7b07598","","","0.71073","MoKα","","0.0302","0.0263","","","0.0578","0.0595","","","","","","1.054","","","","has coordinates","241793","2020-10-21","18:00:00",""
"4131618","13.188","0.0003","8.797","0.0002","13.2278","0.0003","90","","112.815","0.001","90","","1414.55","0.06","296","2","296","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C17 H16 N2 O4 -","- C17 H16 N2 O4 -","- C68 H64 N8 O16 -","4","1","","Kuznetsov, Dmitry M.; Kutateladze, Andrei G.","Step-Economical Photoassisted Diversity-Oriented Synthesis: Sustaining Cascade Photoreactions in Oxalyl Anilides to Access Complex Polyheterocyclic Molecular Architectures.","Journal of the American Chemical Society","2017","139","46","16584","16590","10.1021/jacs.7b07598","","","0.71073","MoKα","","0.0507","0.0365","","","0.0867","0.0951","","","","","","1.002","","","","has coordinates","241794","2020-10-21","18:00:00",""
"4131619","29.116","0.006","12.199","0.002","15.114","0.003","90","","108.42","0.03","90","","5093.2","1.9","293","2","293","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","dmk36913b","","","- C32 H27 N3 O4 -","- C32 H27 N3 O4 -","- C256 H216 N24 O32 -","8","1","","Kuznetsov, Dmitry M.; Kutateladze, Andrei G.","Step-Economical Photoassisted Diversity-Oriented Synthesis: Sustaining Cascade Photoreactions in Oxalyl Anilides to Access Complex Polyheterocyclic Molecular Architectures.","Journal of the American Chemical Society","2017","139","46","16584","16590","10.1021/jacs.7b07598","","","0.71073","MoKα","","0.0886","0.0649","","","0.1149","0.1202","","","","","","1.263","","","","has coordinates","241795","2020-10-21","18:00:00",""
"4131620","13.738","0.003","7.521","0.002","8.434","0.002","90","0.03","102.4","0.03","90","0.03","851.1","0.4","296","2","296","2","","","","","","","","4","P 1 21 1","P 2yb","4","Postphoto_azaindoline","","","- C22 H16 N4 O2 -","- C22 H16 N4 O2 -","- C44 H32 N8 O4 -","2","1","","Kuznetsov, Dmitry M.; Kutateladze, Andrei G.","Step-Economical Photoassisted Diversity-Oriented Synthesis: Sustaining Cascade Photoreactions in Oxalyl Anilides to Access Complex Polyheterocyclic Molecular Architectures.","Journal of the American Chemical Society","2017","139","46","16584","16590","10.1021/jacs.7b07598","","","0.71073","MoKα","","0.0941","0.0918","","","0.2629","0.2635","","","","","","1.399","","","","has coordinates","241796","2020-10-21","18:00:00",""
"4131621","12.0069","0.0002","13.087","0.0002","21.3835","0.0003","90","","90","","90","","3360.08","0.09","296","2","296","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C20 H20 N2 O4 -","- C20 H20 N2 O4 -","- C160 H160 N16 O32 -","8","1","","Kuznetsov, Dmitry M.; Kutateladze, Andrei G.","Step-Economical Photoassisted Diversity-Oriented Synthesis: Sustaining Cascade Photoreactions in Oxalyl Anilides to Access Complex Polyheterocyclic Molecular Architectures.","Journal of the American Chemical Society","2017","139","46","16584","16590","10.1021/jacs.7b07598","","","0.71073","MoKα","","0.0685","0.0575","","","0.1511","0.1618","","","","","","1.027","","","","has coordinates","241797","2020-10-21","18:00:00",""
"4131622","10.2794","0.001","15.4093","0.0015","11.6753","0.0011","90","","96.905","0.001","90","","1835.9","0.3","296","2","296","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C23 H18 N2 O4 -","- C23 H18 N2 O4 -","- C92 H72 N8 O16 -","4","1","","Kuznetsov, Dmitry M.; Kutateladze, Andrei G.","Step-Economical Photoassisted Diversity-Oriented Synthesis: Sustaining Cascade Photoreactions in Oxalyl Anilides to Access Complex Polyheterocyclic Molecular Architectures.","Journal of the American Chemical Society","2017","139","46","16584","16590","10.1021/jacs.7b07598","","","0.71073","MoKα","","0.0629","0.0476","","","0.0993","0.1084","","","","","","1.087","","","","has coordinates","241798","2020-10-21","18:00:00",""
"4131623","15.766","0.0011","5.5591","0.0003","16.8685","0.0012","90","","112.202","0.002","90","","1368.82","0.16","100","2","100","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C16 H13 F3 O2 -","- C16 H13 F3 O2 -","- C64 H52 F12 O8 -","4","1","","Gaydou, Morgane; Moragas, Toni; Juliá-Hernández, Francisco; Martin, Ruben","Site-Selective Catalytic Carboxylation of Unsaturated Hydrocarbons with CO<sub>2</sub> and Water.","Journal of the American Chemical Society","2017","139","35","12161","12164","10.1021/jacs.7b07637","","","0.71073","MoKα","","0.0804","0.0522","","","0.1336","0.1498","","","","","","1.049","","","","has coordinates,has disorder","241799","2020-10-21","18:00:00",""
"4131624","28.1211","0.0009","28.1211","0.0009","30.4311","0.0013","90","","90","","120","","20840.7","1.3","223.01","0.1","223.01","0.1","","","","","","","","3","R 3 :H","R 3","146","6M-1","","","- C228 H216 N32 -","- C228 H216 N32 -","- C684 H648 N96 -","3","0.333333","","Qu, Hang; Wang, Yu; Li, Zhihao; Wang, Xinchang; Fang, Hongxun; Tian, Zhongqun; Cao, Xiaoyu","Molecular Face-Rotating Cube with Emergent Chiral and Fluorescence Properties.","Journal of the American Chemical Society","2017","139","50","18142","18145","10.1021/jacs.7b07657","","x-ray","1.54184","CuKα","","0.0822","0.0569","","","0.1529","0.1762","","","","","","0.965","","","","has coordinates","241800","2020-10-21","18:00:00",""
"4131625","29.0242","0.0009","29.0242","0.0009","30.6505","0.0011","90","","90","","120","","22360.9","1.3","223","0.1","223","0.1","","","","","","","","3","R 3 :H","R 3","146","6P-1","","","- C228 H216 N32 -","- C228 H216 N32 -","- C684 H648 N96 -","3","0.333333","","Qu, Hang; Wang, Yu; Li, Zhihao; Wang, Xinchang; Fang, Hongxun; Tian, Zhongqun; Cao, Xiaoyu","Molecular Face-Rotating Cube with Emergent Chiral and Fluorescence Properties.","Journal of the American Chemical Society","2017","139","50","18142","18145","10.1021/jacs.7b07657","","x-ray","1.54184","CuKα","","0.1044","0.0577","","","0.1463","0.1796","","","","","","0.903","","","","has coordinates","241801","2020-10-21","18:00:00",""
"4131626","35.7068","0.0006","35.7068","0.0006","22.6261","0.0004","90","","90","","120","","24982.9","0.7","150","0.1","150","0.1","","","","","","","","3","P 64 2 2","P 64 2 (0 0 2)","181","2P4M-2","","","- C228 H216 N32 -","- C228 H216 N32 -","- C684 H648 N96 -","3","0.25","","Qu, Hang; Wang, Yu; Li, Zhihao; Wang, Xinchang; Fang, Hongxun; Tian, Zhongqun; Cao, Xiaoyu","Molecular Face-Rotating Cube with Emergent Chiral and Fluorescence Properties.","Journal of the American Chemical Society","2017","139","50","18142","18145","10.1021/jacs.7b07657","","x-ray","1.54184","CuKα","","0.0797","0.0548","","","0.1468","0.1676","","","","","","0.941","","","","has coordinates","241802","2020-10-21","18:00:00",""
"4131627","35.6733","0.002","35.6733","0.002","22.6222","0.0016","90","","90","","120","","24932","3","150","0.1","150","0.1","","","","","","","","3","P 62 2 2","P 62 2 (0 0 4)","180","4P2M-2","","","- C228 H216 N32 -","- C228 H216 N32 -","- C684 H648 N96 -","3","0.25","","Qu, Hang; Wang, Yu; Li, Zhihao; Wang, Xinchang; Fang, Hongxun; Tian, Zhongqun; Cao, Xiaoyu","Molecular Face-Rotating Cube with Emergent Chiral and Fluorescence Properties.","Journal of the American Chemical Society","2017","139","50","18142","18145","10.1021/jacs.7b07657","","x-ray","1.54184","CuKα","","0.1179","0.0597","","","0.1404","0.1731","","","","","","0.887","","","","has coordinates","241803","2020-10-21","18:00:00",""
"4131628","11.3187","0.0003","12.1229","0.0003","14.6266","0.0004","85.2769","0.0014","75.3317","0.0014","75.787","0.0014","1881.72","0.09","100","2","100","2","","","","","","","","4","P -1","-P 1","2","KJB-IV-287","","","- C19 H25 N3 O4 -","- C19 H25 N3 O4 -","- C76 H100 N12 O16 -","4","2","","Hendrick, Charles E.; Bitting, Katie J.; Cho, Seoyoung; Wang, Qiu","Site-Selective Copper-Catalyzed Amination and Azidation of Arenes and Heteroarenes via Deprotonative Zincation.","Journal of the American Chemical Society","2017","139","33","11622","11628","10.1021/jacs.7b07661","","","0.71073","MoKα","","0.0575","0.0381","","","0.0919","0.1019","","","","","","1.014","","","","has coordinates","241804","2020-10-21","18:00:00",""
"4131629","6.411","0.003","15.344","0.007","27.897","0.013","90","","96.217","0.007","90","","2728","2","193","2","193","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C26 H40 N2 O Pd -","- C26 H40 N2 O Pd -","- C104 H160 N8 O4 Pd4 -","4","1","","Okumura, Shintaro; Sun, Fangzhu; Ishida, Naoki; Murakami, Masahiro","Palladium-Catalyzed Intermolecular Exchange between C-C and C-Si σ-Bonds.","Journal of the American Chemical Society","2017","139","36","12414","12417","10.1021/jacs.7b07667","","","0.71075","MoKα","","0.1546","0.0843","","","0.1729","0.2104","","","","","","1.014","","","","has coordinates","241805","2020-10-21","18:00:00",""
"4131630","9.8592","0.0005","10.2085","0.0006","10.9817","0.0007","64.914","0.002","78.901","0.002","65.914","0.0014","913.61","0.09","100","2","100","2","","","","","","","","4","P -1","-P 1","2","","","","- C23 H22 O Si -","- C23 H22 O Si -","- C46 H44 O2 Si2 -","2","1","","Okumura, Shintaro; Sun, Fangzhu; Ishida, Naoki; Murakami, Masahiro","Palladium-Catalyzed Intermolecular Exchange between C-C and C-Si σ-Bonds.","Journal of the American Chemical Society","2017","139","36","12414","12417","10.1021/jacs.7b07667","","","0.71075","MoKα","","0.0564","0.0426","","","0.1264","0.1687","","","","","","1.102","","","","has coordinates","241806","2020-10-21","18:00:00",""
"4131631","10.0649","0.0007","17.7723","0.0012","17.206","0.0012","90","","98.0448","0.0015","90","","3047.5","0.4","100","2","100","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","LC7","","","- C36 H49 Cl F P Pd -","- C36 H49 Cl F P Pd -","- C144 H196 Cl4 F4 P4 Pd4 -","4","1","","Chen, Liye; Sanchez, Daniel R.; Zhang, Bufan; Carrow, Brad P.","""Cationic"" Suzuki-Miyaura Coupling with Acutely Base-Sensitive Boronic Acids.","Journal of the American Chemical Society","2017","139","36","12418","12421","10.1021/jacs.7b07687","","","0.71073","MoKα","","0.0433","0.0323","","","0.0815","0.0855","","","","","","1.074","","","","has coordinates","241807","2020-10-21","18:00:00",""
"4131632","7.086","0.0005","16.5585","0.001","32.23","0.002","90","","90","","90","","3781.7","0.4","100","2","100","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","SKI-138C","sarpong86","","- C22 H29 N O4 -","- C22 H29 N O4 -","- C176 H232 N8 O32 -","8","1","","Kou, Kevin G. M.; Kulyk, Svitlana; Marth, Christopher J.; Lee, Jack C.; Doering, Nicolle A.; Li, Beryl X.; Gallego, Gary M.; Lebold, Terry P.; Sarpong, Richmond","A Unifying Synthesis Approach to the C<sub>18</sub>-, C<sub>19</sub>-, and C<sub>20</sub>-Diterpenoid Alkaloids.","Journal of the American Chemical Society","2017","139","39","13882","13896","10.1021/jacs.7b07706","","","1.54178","CuKα","","0.0937","0.0784","","","0.2156","0.2289","","","","","","1.032","","","","has coordinates","241808","2020-10-21","18:00:00",""
"4131633","11.9228","0.0011","18.502","0.0017","8.6469","0.0008","90","","94.417","0.003","90","","1901.8","0.3","100","2","100","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","kk4_124_4","","","- C22 H29 N O5 -","- C22 H29 N O5 -","- C88 H116 N4 O20 -","4","1","","Kou, Kevin G. M.; Kulyk, Svitlana; Marth, Christopher J.; Lee, Jack C.; Doering, Nicolle A.; Li, Beryl X.; Gallego, Gary M.; Lebold, Terry P.; Sarpong, Richmond","A Unifying Synthesis Approach to the C<sub>18</sub>-, C<sub>19</sub>-, and C<sub>20</sub>-Diterpenoid Alkaloids.","Journal of the American Chemical Society","2017","139","39","13882","13896","10.1021/jacs.7b07706","","","1.54178","CuKα","","0.0359","0.0348","","","0.0897","0.0907","","","","","","1.031","","","","has coordinates","241809","2020-10-21","18:00:00",""
"4131634","8.3725","0.0004","9.6019","0.0004","13.9337","0.0006","96.521","0.002","102.919","0.002","104.785","0.002","1038.21","0.08","100","2","100","2","","","","","","","","4","P -1","-P 1","2","KK2-194-2","sarpong126","","- C24 H33 N O5 -","- C24 H33 N O5 -","- C48 H66 N2 O10 -","2","1","","Kou, Kevin G. M.; Kulyk, Svitlana; Marth, Christopher J.; Lee, Jack C.; Doering, Nicolle A.; Li, Beryl X.; Gallego, Gary M.; Lebold, Terry P.; Sarpong, Richmond","A Unifying Synthesis Approach to the C<sub>18</sub>-, C<sub>19</sub>-, and C<sub>20</sub>-Diterpenoid Alkaloids.","Journal of the American Chemical Society","2017","139","39","13882","13896","10.1021/jacs.7b07706","","","1.54178","CuKα","","0.0401","0.0347","","","0.0856","0.0895","","","","","","1.035","","","","has coordinates","241810","2020-10-21","18:00:00",""
"4131635","7.8766","0.0006","8.5007","0.0007","14.5992","0.0012","97.716","0.004","92.753","0.004","101.587","0.004","946.09","0.13","100","2","100","2","","","","","","","","4","P -1","-P 1","2","","","","- C22 H29 N O5 -","- C22 H29 N O5 -","- C44 H58 N2 O10 -","2","1","","Kou, Kevin G. M.; Kulyk, Svitlana; Marth, Christopher J.; Lee, Jack C.; Doering, Nicolle A.; Li, Beryl X.; Gallego, Gary M.; Lebold, Terry P.; Sarpong, Richmond","A Unifying Synthesis Approach to the C<sub>18</sub>-, C<sub>19</sub>-, and C<sub>20</sub>-Diterpenoid Alkaloids.","Journal of the American Chemical Society","2017","139","39","13882","13896","10.1021/jacs.7b07706","","","0.71073","MoKα","","0.047","0.0403","","","0.1112","0.1139","","","","","","1.143","","","","has coordinates","241811","2020-10-21","18:00:00",""
"4131636","8.7054","0.0003","9.5129","0.0003","11.7668","0.0004","79.413","0.001","88.049","0.001","78.959","0.001","940.13","0.05","100","2","100","2","","","","","","","","4","P -1","-P 1","2","kk4_61_3","","","- C44 H58 N2 O10 -","- C44 H58 N2 O10 -","- C44 H58 N2 O10 -","1","0.5","","Kou, Kevin G. M.; Kulyk, Svitlana; Marth, Christopher J.; Lee, Jack C.; Doering, Nicolle A.; Li, Beryl X.; Gallego, Gary M.; Lebold, Terry P.; Sarpong, Richmond","A Unifying Synthesis Approach to the C<sub>18</sub>-, C<sub>19</sub>-, and C<sub>20</sub>-Diterpenoid Alkaloids.","Journal of the American Chemical Society","2017","139","39","13882","13896","10.1021/jacs.7b07706","","","1.54178","CuKα","","0.0372","0.036","","","0.0939","0.095","","","","","","1.043","","","","has coordinates","241812","2020-10-21","18:00:00",""
"4131637","10.1894","0.0004","14.3413","0.0005","14.4462","0.0005","69.53","0.002","89.57","0.002","78.333","0.002","1932.25","0.13","100","2","100","2","","","","","","","","4","P -1","-P 1","2","SKI-138D1","sarpong85","","- C22 H29 N O4 -","- C22 H29 N O4 -","- C88 H116 N4 O16 -","4","2","","Kou, Kevin G. M.; Kulyk, Svitlana; Marth, Christopher J.; Lee, Jack C.; Doering, Nicolle A.; Li, Beryl X.; Gallego, Gary M.; Lebold, Terry P.; Sarpong, Richmond","A Unifying Synthesis Approach to the C<sub>18</sub>-, C<sub>19</sub>-, and C<sub>20</sub>-Diterpenoid Alkaloids.","Journal of the American Chemical Society","2017","139","39","13882","13896","10.1021/jacs.7b07706","","","1.54178","CuKα","","0.0865","0.0682","","","0.1896","0.2049","","","","","","1.041","","","","has coordinates","241813","2020-10-21","18:00:00",""
"4131638","27.518","0.004","9.3225","0.0013","19.913","0.003","90","","109.766","0.001","90","","4807.4","1.2","150","","150","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C32 H72 Sb2 Si8 -","- C32 H72 Sb2 Si8 -","- C128 H288 Sb8 Si32 -","4","1","","Lee, Vladimir Ya; Ota, Kei; Ito, Yuki; Gapurenko, Olga A.; Sekiguchi, Akira; Minyaev, Ruslan M.; Minkin, Vladimir I.; Gornitzka, Heinz","Bis(stibahousene).","Journal of the American Chemical Society","2017","139","39","13897","13902","10.1021/jacs.7b07712","","","0.71073","MoKα","","0.0418","0.0413","","","0.0943","0.0945","","","","","","1.296","","","","has coordinates","241814","2020-10-21","18:00:00",""
"4131639","11.598","0.005","15.124","0.006","17.221","0.007","103.792","0.004","90.529","0.004","105.736","0.004","2815","2","173","2","173","2","","","","","","","","5","P -1","-P 1","2","","","","- C34.5 H78 F8 Sb4 Si8 -","- C34.5 H78 F8 Sb4 Si8 -","- C69 H156 F16 Sb8 Si16 -","2","1","","Lee, Vladimir Ya; Ota, Kei; Ito, Yuki; Gapurenko, Olga A.; Sekiguchi, Akira; Minyaev, Ruslan M.; Minkin, Vladimir I.; Gornitzka, Heinz","Bis(stibahousene).","Journal of the American Chemical Society","2017","139","39","13897","13902","10.1021/jacs.7b07712","","","0.71073","MoKα","","0.0995","0.0721","","","0.1662","0.1802","","","","","","1.119","","","","has coordinates,has disorder","241815","2020-10-21","18:00:00",""
"4131640","16.461","0.003","12.567","0.002","12.991","0.002","90","","99.176","0.011","90","","2653","0.8","100","","100","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C29 H22 N4 O11 -","- C29 H22 N4 O11 -","- C116 H88 N16 O44 -","4","1","","Good, Steffen N.; Sharpe, Robert J.; Johnson, Jeffrey S.","Highly Functionalized Tricyclic Oxazinanones via Pairwise Oxidative Dearomatization and N-Hydroxycarbamate Dehydrogenation: Molecular Diversity Inspired by Tetrodotoxin.","Journal of the American Chemical Society","2017","139","36","12422","12425","10.1021/jacs.7b07745","","","1.54178","CuKα","","0.0711","0.0439","","","0.0972","0.1092","","","","","","1.022","","","","has coordinates","241816","2020-10-21","18:00:00",""
"4131641","11.222","0.0005","11.5293","0.0006","13.0311","0.0007","75.367","0.003","64.51","0.002","72.713","0.002","1437.83","0.13","100","","100","","","","","","","","","4","P -1","-P 1","2","","","","- C14 H19 N O5 -","- C14 H19 N O5 -","- C56 H76 N4 O20 -","4","2","","Good, Steffen N.; Sharpe, Robert J.; Johnson, Jeffrey S.","Highly Functionalized Tricyclic Oxazinanones via Pairwise Oxidative Dearomatization and N-Hydroxycarbamate Dehydrogenation: Molecular Diversity Inspired by Tetrodotoxin.","Journal of the American Chemical Society","2017","139","36","12422","12425","10.1021/jacs.7b07745","","","1.54178","CuKα","","0.0548","0.0486","","","0.137","0.1413","","","","","","1.168","","","","has coordinates,has disorder","241817","2020-10-21","18:00:00",""
"4131642","8.7035","0.0018","8.1115","0.0019","21.516","0.005","90","","98.492","0.015","90","","1502.3","0.6","100","","100","","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C33 H37 N O9 Si -","- C33 H37 N O9 Si -","- C66 H74 N2 O18 Si2 -","2","1","","Good, Steffen N.; Sharpe, Robert J.; Johnson, Jeffrey S.","Highly Functionalized Tricyclic Oxazinanones via Pairwise Oxidative Dearomatization and N-Hydroxycarbamate Dehydrogenation: Molecular Diversity Inspired by Tetrodotoxin.","Journal of the American Chemical Society","2017","139","36","12422","12425","10.1021/jacs.7b07745","","","1.54178","CuKα","","0.0325","0.0295","","","0.0682","0.0698","","","","","","1.063","","","","has coordinates","241818","2020-10-21","18:00:00",""
"4131643","9.9577","0.0006","9.9793","0.0007","16.4948","0.001","78.033","0.003","88.852","0.003","69.725","0.003","1501.73","0.17","100","","100","","","","","","","","","5","P -1","-P 1","2","","","","- C33 H35 N O7 Si -","- C33 H35 N O7 Si -","- C66 H70 N2 O14 Si2 -","2","1","","Good, Steffen N.; Sharpe, Robert J.; Johnson, Jeffrey S.","Highly Functionalized Tricyclic Oxazinanones via Pairwise Oxidative Dearomatization and N-Hydroxycarbamate Dehydrogenation: Molecular Diversity Inspired by Tetrodotoxin.","Journal of the American Chemical Society","2017","139","36","12422","12425","10.1021/jacs.7b07745","","","1.54178","CuKα","","0.042","0.0369","","","0.0926","0.0961","","","","","","1.027","","","","has coordinates","241819","2020-10-21","18:00:00",""
"4131644","6.4757","0.0002","17.3858","0.0005","12.233","0.0004","90","","98.468","0.002","90","","1362.24","0.07","100","","100","","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C15 H12 Cl N O5 -","- C15 H12 Cl N O5 -","- C60 H48 Cl4 N4 O20 -","4","1","","Good, Steffen N.; Sharpe, Robert J.; Johnson, Jeffrey S.","Highly Functionalized Tricyclic Oxazinanones via Pairwise Oxidative Dearomatization and N-Hydroxycarbamate Dehydrogenation: Molecular Diversity Inspired by Tetrodotoxin.","Journal of the American Chemical Society","2017","139","36","12422","12425","10.1021/jacs.7b07745","","","1.54178","CuKα","","0.0402","0.0345","","","0.0863","0.0898","","","","","","1.037","","","","has coordinates","241820","2020-10-21","18:00:00",""
"4131645","8.4426","0.0007","9.5333","0.0007","11.9143","0.0009","79.721","0.001","86.353","0.001","71.283","0.001","893.62","0.12","120","2","120","2","","","","","","","","4","P -1","-P 1","2","","","","- C18 H26 Br2 O2 -","- C18 H26 Br2 O2 -","- C36 H52 Br4 O4 -","2","1","","Burckle, Alexander J.; Gál, Bálint; Seidl, Frederick J.; Vasilev, Vasil H.; Burns, Noah Z.","Enantiospecific Solvolytic Functionalization of Bromochlorides.","Journal of the American Chemical Society","2017","139","38","13562","13569","10.1021/jacs.7b07792","","","0.71073","MoKα","","0.0372","0.0287","","","0.0703","0.0734","","","","","","1.083","","","","has coordinates","241821","2020-10-21","18:00:00",""
"4131646","14.102","0.004","26.662","0.007","16.337","0.004","90","","105.559","0.004","90","","5917","3","130","2","130","2","","","","","","","","8","P 1 21/c 1","-P 2ybc","14","","","","- C47 H78 F6 Fe N4 O6 S2 Si3 -","- C47 H78 F6 Fe N4 O6 S2 Si3 -","- C188 H312 F24 Fe4 N16 O24 S8 Si12 -","4","1","","Borrell, Margarida; Costas, Miquel","Mechanistically Driven Development of an Iron Catalyst for Selective Syn-Dihydroxylation of Alkenes with Aqueous Hydrogen Peroxide.","Journal of the American Chemical Society","2017","139","36","12821","12829","10.1021/jacs.7b07909","","","0.71073","MoKα","","0.1033","0.0537","","","0.1194","0.1406","","","","","","1.024","","","","has coordinates,has disorder","241822","2020-10-21","18:00:00",""
"4131647","29.9444","0.0006","29.9444","0.0006","29.9444","0.0006","90","","90","","90","","26850.2","0.9","290","2","290","2","","","","","","","","5","P m -3","-P 2 2 3","200","","","","- C64 H50 N O14.5 Zn4 -","- C64 H50 N O14.5 Zn4 -","- C384 H300 N6 O87 Zn24 -","6","0.25","","Liu, Lujia; Zhou, Tian-You; Telfer, Shane G.","Modulating the Performance of an Asymmetric Organocatalyst by Tuning Its Spatial Environment in a Metal-Organic Framework.","Journal of the American Chemical Society","2017","139","39","13936","13943","10.1021/jacs.7b07921","","","1.54178","CuKα","","0.0795","0.0681","","","0.1865","0.1946","","","","","","1.07","","","","has coordinates,has disorder","241823","2020-10-21","18:00:00",""
"4131648","29.9461","0.0003","29.9461","0.0003","29.9461","0.0003","90","","90","","90","","26854.7","0.5","291","2","291","2","","","","","","","","5","P m -3","-P 2 2 3","200","","","","- C61.5 H46 N O13.5 Zn4 -","- C61.5 H46 N O13.5 Zn4 -","- C369 H276 N6 O81 Zn24 -","6","0.25","","Liu, Lujia; Zhou, Tian-You; Telfer, Shane G.","Modulating the Performance of an Asymmetric Organocatalyst by Tuning Its Spatial Environment in a Metal-Organic Framework.","Journal of the American Chemical Society","2017","139","39","13936","13943","10.1021/jacs.7b07921","","","1.54178","CuKα","","0.0414","0.0372","","","0.1034","0.117","","","","","","1.083","","","","has coordinates,has disorder","241823","2020-10-21","18:00:00",""
"4131649","29.9603","0.0003","29.9603","0.0003","29.9603","0.0003","90","","90","","90","","26893","0.5","293","2","293","2","","","","","","","","5","P m -3","-P 2 2 3","200","","","","- C61.5 H46 N O13.5 Zn4 -","- C61.5 H46 N O13.5 Zn4 -","- C369 H276 N6 O81 Zn24 -","6","0.25","","Liu, Lujia; Zhou, Tian-You; Telfer, Shane G.","Modulating the Performance of an Asymmetric Organocatalyst by Tuning Its Spatial Environment in a Metal-Organic Framework.","Journal of the American Chemical Society","2017","139","39","13936","13943","10.1021/jacs.7b07921","","","1.54178","CuKα","","0.0395","0.0364","","","0.1615","0.1649","","","","","","1.409","","","","has coordinates,has disorder","241823","2020-10-21","18:00:00",""
"4131650","9.8347","0.0006","10.9173","0.0007","13.2494","0.0008","100.003","0.002","96.765","0.002","104.964","0.002","1333.51","0.14","301","2","301.44","","","","","","","","","5","P -1","-P 1","2","","","","- C20 H39 Cu F9 N -","- C20 H39 Cu F9 N -","- C40 H78 Cu2 F18 N2 -","2","1","","Tan, Xinqiang; Liu, Zhonglin; Shen, Haigen; Zhang, Pei; Zhang, Zhenzhen; Li, Chaozhong","Silver-Catalyzed Decarboxylative Trifluoromethylation of Aliphatic Carboxylic Acids.","Journal of the American Chemical Society","2017","139","36","12430","12433","10.1021/jacs.7b07944","","","0.71073","MoKα","","0.1292","0.0981","","","0.2594","0.3027","","","","","","1.046","","","","has coordinates","241824","2020-10-21","18:00:00",""
"4131651","12.318","0.002","17.125","0.004","25.001","0.005","90","","93.745","0.004","90","","5262.6","1.8","93","2","93","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C30 H36 O Si -","- C30 H36 O Si -","- C240 H288 O8 Si8 -","8","2","","Minami, Yasunori; Noguchi, Yuta; Hiyama, Tamejiro","Synthesis of Benzosiloles by Intramolecular anti-Hydroarylation via ortho-C-H Activation of Aryloxyethynyl Silanes.","Journal of the American Chemical Society","2017","139","40","14013","14016","10.1021/jacs.7b08055","","","0.71075","MoKα","","0.1247","0.0986","","","0.2185","0.2367","","","","","","1.18","","","","has coordinates","241825","2020-10-21","18:00:00",""
"4131652","10.303","0.0004","31.7889","0.0011","8.0404","0.0003","90","","102.747","0.004","90","","2568.5","0.17","93","2","93","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C30 H38 O Si -","- C30 H38 O Si -","- C120 H152 O4 Si4 -","4","1","","Minami, Yasunori; Noguchi, Yuta; Hiyama, Tamejiro","Synthesis of Benzosiloles by Intramolecular anti-Hydroarylation via ortho-C-H Activation of Aryloxyethynyl Silanes.","Journal of the American Chemical Society","2017","139","40","14013","14016","10.1021/jacs.7b08055","","","0.71073","MoKα","","0.0787","0.0645","","","0.1698","0.182","","","","","","1.144","","","","has coordinates","241826","2020-10-21","18:00:00",""
"4131653","25.01","0.002","28.505","0.003","38.129","0.003","104.196","0.004","101.863","0.004","91.09","0.005","25720","4","200","2","200","2","","","","","","","","8","P -1","-P 1","2","","","","- C192 H926 K3 Mo154 Na15 O979 P2 W18 -","- C192 Mo154 Na1.5 O754 P2 W18 -","- C192 Mo154 Na1.5 O754 P2 W18 -","1","0.5","","Moussawi, Mhamad Aly; Haouas, Mohamed; Floquet, Sébastien; Shepard, William E.; Abramov, Pavel A.; Sokolov, Maxim N.; Fedin, Vladimir P.; Cordier, Stéphane; Ponchel, Anne; Monflier, Eric; Marrot, Jérôme; Cadot, Emmanuel","Nonconventional Three-Component Hierarchical Host-Guest Assembly Based on Mo-Blue Ring-Shaped Giant Anion, γ-Cyclodextrin, and Dawson-type Polyoxometalate.","Journal of the American Chemical Society","2017","139","41","14376","14379","10.1021/jacs.7b08058","","","0.71073","MoKα","","0.2469","0.172","","","0.4198","0.4778","","","","","","1.093","","","","has coordinates,has disorder","241827","2020-10-21","18:00:00",""
"4131654","13.2054","0.0005","13.0747","0.0004","14.3114","0.0005","90","","107.608","0.004","90","","2355.19","0.15","100","2","100","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C54 H68 B2 F4 N4 -","- C54 H68 B2 F4 N4 -","- C108 H136 B4 F8 N8 -","2","0.5","","Patalag, Lukas J.; Ho, Luong Phong; Jones, Peter G.; Werz, Daniel B.","Ethylene-Bridged Oligo-BODIPYs: Access to Intramolecular J-Aggregates and Superfluorophores.","Journal of the American Chemical Society","2017","139","42","15104","15113","10.1021/jacs.7b08176","","","0.71073","MoKα","","0.0565","0.0419","","","0.1038","0.1127","","","","","","1.019","","","","has coordinates,has disorder","241828","2020-10-21","18:00:00",""
"4131655","7.5627","0.0004","10.9924","0.0006","11.4757","0.0006","71.452","0.005","79.688","0.004","78.015","0.005","878.15","0.09","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","","","- C42 H44 B2 F4 N4 -","- C42 H44 B2 F4 N4 -","- C42 H44 B2 F4 N4 -","1","0.5","","Patalag, Lukas J.; Ho, Luong Phong; Jones, Peter G.; Werz, Daniel B.","Ethylene-Bridged Oligo-BODIPYs: Access to Intramolecular J-Aggregates and Superfluorophores.","Journal of the American Chemical Society","2017","139","42","15104","15113","10.1021/jacs.7b08176","","","1.54184","CuKα","","0.0408","0.0386","","","0.1042","0.1068","","","","","","1.044","","","","has coordinates","241829","2020-10-21","18:00:00",""
"4131656","13.30119","0.00018","8.21083","0.00014","22.2419","0.0003","90","","100.203","0.0014","90","","2390.71","0.06","100","2","100","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C48 H54 B2 Cl6 F4 N4 -","- C48 H54 B2 Cl6 F4 N4 -","- C96 H108 B4 Cl12 F8 N8 -","2","0.5","","Patalag, Lukas J.; Ho, Luong Phong; Jones, Peter G.; Werz, Daniel B.","Ethylene-Bridged Oligo-BODIPYs: Access to Intramolecular J-Aggregates and Superfluorophores.","Journal of the American Chemical Society","2017","139","42","15104","15113","10.1021/jacs.7b08176","","","1.54184","CuKα","","0.0479","0.0445","","","0.1257","0.1293","","","","","","1.036","","","","has coordinates","241830","2020-10-21","18:00:00",""
"4131657","7.701","0.0002","5.6589","0.0001","18.674","0.0004","90","","92.703","0.001","90","","812.89","0.03","296","2","296","2","","","","","","","","3","P 1 21 1","P 2yb","4","","","","- C18 H20 O4 -","- C18 H20 O4 -","- C36 H40 O8 -","2","1","","Zhang, Kai; Lu, Liang-Qiu; Yao, Sheng; Chen, Jia-Rong; Shi, De-Qing; Xiao, Wen-Jing","Enantioconvergent Copper Catalysis: In Situ Generation of the Chiral Phosphorus Ylide and Its Wittig Reactions.","Journal of the American Chemical Society","2017","139","36","12847","12854","10.1021/jacs.7b08207","","","1.54178","CuKα","","0.0711","0.07","","","0.17","0.1723","","","","","","1.069","","","","has coordinates","241831","2020-10-21","18:00:00",""
"4131658","6.2723","0.0001","16.0553","0.0003","16.2734","0.0003","90","","90","","90","","1638.79","0.05","296","2","296","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C19 H21 O2 -","- C19 H21 O2 -","- C76 H84 O8 -","4","1","","Zhang, Kai; Lu, Liang-Qiu; Yao, Sheng; Chen, Jia-Rong; Shi, De-Qing; Xiao, Wen-Jing","Enantioconvergent Copper Catalysis: In Situ Generation of the Chiral Phosphorus Ylide and Its Wittig Reactions.","Journal of the American Chemical Society","2017","139","36","12847","12854","10.1021/jacs.7b08207","","","1.54178","CuKα","","0.0371","0.036","","","0.1038","0.105","","","","","","1.054","","","","has coordinates","241832","2020-10-21","18:00:00",""
"4131659","22.541","0.002","28.224","0.003","11.1173","0.0011","90","","90","","90","","7072.8","1.2","296.15","0.1","296.15","0.1","","","","","","","","8","P 21 21 2","P 2 2ab","18","","","","- C52.5 H60 B4 Cl Cu4 F16 N12 O16 -","- C52.5 H60 B4 Cl Cu4 F16 N12 O16 -","- C210 H240 B16 Cl4 Cu16 F64 N48 O64 -","4","1","","Zhang, Kai; Lu, Liang-Qiu; Yao, Sheng; Chen, Jia-Rong; Shi, De-Qing; Xiao, Wen-Jing","Enantioconvergent Copper Catalysis: In Situ Generation of the Chiral Phosphorus Ylide and Its Wittig Reactions.","Journal of the American Chemical Society","2017","139","36","12847","12854","10.1021/jacs.7b08207","","","0.71073","MoKα","","0.1374","0.0816","","","0.2244","0.2671","","","","","","1.02","","","","has coordinates,has disorder","241833","2020-10-21","18:00:00",""
"4131660","9.6412","0.0003","11.9525","0.0004","13.9387","0.0004","83","0.003","73.214","0.002","71.465","0.002","1457.24","0.08","250","2","250.03","","","","","","","","","5","P -1","-P 1","2","","","","- C50 H43 F24 N5 P4 -","- C50 H43 F24 N5 P4 -","- C50 H43 F24 N5 P4 -","1","0.5","","Wu, Yilei; Zhou, Jiawang; Phelan, Brian T.; Mauck, Catherine M.; Stoddart, J. Fraser; Young, Ryan M.; Wasielewski, Michael R.","Probing Distance Dependent Charge-Transfer Character in Excimers of Extended Viologen Cyclophanes Using Femtosecond Vibrational Spectroscopy.","Journal of the American Chemical Society","2017","139","40","14265","14276","10.1021/jacs.7b08275","","","1.54178","CuKα","","0.1093","0.0968","","","0.313","0.3339","","","","","","1.437","","","","has coordinates,has disorder","241834","2020-10-21","18:00:00",""
"4131661","7.3123","0.0002","12.901","0.0003","19.3466","0.0005","88.7203","0.0015","89.3061","0.0017","88.8464","0.0016","1824.13","0.08","100","2","99.93","","","","","","","","","5","P -1","-P 1","2","","","","- C60 H58 F24 N10 P4 -","- C60 H58 F24 N10 P4 -","- C60 H58 F24 N10 P4 -","1","0.5","","Wu, Yilei; Zhou, Jiawang; Phelan, Brian T.; Mauck, Catherine M.; Stoddart, J. Fraser; Young, Ryan M.; Wasielewski, Michael R.","Probing Distance Dependent Charge-Transfer Character in Excimers of Extended Viologen Cyclophanes Using Femtosecond Vibrational Spectroscopy.","Journal of the American Chemical Society","2017","139","40","14265","14276","10.1021/jacs.7b08275","","","1.54178","CuKα","","0.0642","0.0534","","","0.1356","0.1415","","","","","","1.056","","","","has coordinates,has disorder","241835","2020-10-21","18:00:00",""
"4131662","12.6861","0.0015","14.7681","0.0018","13.3305","0.0015","90","","108.111","0.005","90","","2373.7","0.5","100","2","100","2","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C21 H35 Br Mn N2 O2 P -","- C21 H35 Br Mn N2 O2 P -","- C84 H140 Br4 Mn4 N8 O8 P4 -","4","1","","Espinosa-Jalapa, Noel Angel; Kumar, Amit; Leitus, Gregory; Diskin-Posner, Yael; Milstein, David","Synthesis of Cyclic Imides by Acceptorless Dehydrogenative Coupling of Diols and Amines Catalyzed by a Manganese Pincer Complex.","Journal of the American Chemical Society","2017","139","34","11722","11725","10.1021/jacs.7b08341","","","0.71073","MoKα","","0.0454","0.0329","","","0.0657","0.0695","","","","","","1.042","","","","has coordinates,has disorder","241836","2020-10-21","18:00:00",""
"4131663","14.1304","0.0015","14.4105","0.0014","11.1726","0.0012","90","","96.228","0.003","90","","2261.6","0.4","100","2","100","2","","","","","","","","6","C 1 c 1","C -2yc","9","","","","- C21 H34 Mn N2 O2 P -","- C21 H34 Mn N2 O2 P -","- C84 H136 Mn4 N8 O8 P4 -","4","1","","Espinosa-Jalapa, Noel Angel; Kumar, Amit; Leitus, Gregory; Diskin-Posner, Yael; Milstein, David","Synthesis of Cyclic Imides by Acceptorless Dehydrogenative Coupling of Diols and Amines Catalyzed by a Manganese Pincer Complex.","Journal of the American Chemical Society","2017","139","34","11722","11725","10.1021/jacs.7b08341","","","0.71073","MoKα","","0.0469","0.0367","","","0.0732","0.0777","","","","","","1.012","","","","has coordinates","241836","2020-10-21","18:00:00",""
"4131664","44.055","0.006","44.055","0.006","18.729","0.004","90","","90","","120","","31480","9","298","2","298","2","","","","","","","","5","P 63","P 6c","173","ST-1","ST-1","","- C40 H24 N8 O13 Zn4 -","- C40 H24 N8 O13 Zn4 -","- C240 H144 N48 O78 Zn24 -","6","1","","Liang, Cong-Cong; Shi, Zhao-Lin; He, Chun-Ting; Tan, Jing; Zhou, Hu-Die; Zhou, Hao-Long; Lee, Yongjin; Zhang, Yue-Biao","Engineering of Pore Geometry for Ultrahigh Capacity Methane Storage in Mesoporous Metal-Organic Frameworks.","Journal of the American Chemical Society","2017","139","38","13300","13303","10.1021/jacs.7b08347","","","0.82653","synchrotron","","0.049","0.0462","","","0.1468","0.1552","","","","","","1.055","","","","has coordinates","241837","2020-10-21","18:00:00",""
"4131665","44.192","0.006","44.192","0.006","54.961","0.011","90","","90","","120","","92955","3","298.15","","298.15","","","","","","","","","5","P 63/m","-P 6c","176","","","","- C132 H78 N24 O39 Zn12 -","- C133 H78 N21 O39 Zn12 -","- C798 H468 N126 O234 Zn72 -","6","0.5","","Liang, Cong-Cong; Shi, Zhao-Lin; He, Chun-Ting; Tan, Jing; Zhou, Hu-Die; Zhou, Hao-Long; Lee, Yongjin; Zhang, Yue-Biao","Engineering of Pore Geometry for Ultrahigh Capacity Methane Storage in Mesoporous Metal-Organic Frameworks.","Journal of the American Chemical Society","2017","139","38","13300","13303","10.1021/jacs.7b08347","","","0.7293","","","0.1208","0.1108","","","0.3684","0.39","","","","","","1.778","","","","has coordinates,has disorder","241838","2020-10-21","18:00:00",""
"4131666","30.926","0.004","30.926","0.004","35.157","0.007","90","","90","","90","","33625","9","298","2","298","2","","","","","","","","5","P -4 2 c","P -4 2c","112","ST-3","ST-3","","- C44 H26.67 N8 O13 Zn4 -","- C44 H26.6667 N8 O13 Zn4 -","- C264 H160 N48 O78 Zn24 -","6","0.75","","Liang, Cong-Cong; Shi, Zhao-Lin; He, Chun-Ting; Tan, Jing; Zhou, Hu-Die; Zhou, Hao-Long; Lee, Yongjin; Zhang, Yue-Biao","Engineering of Pore Geometry for Ultrahigh Capacity Methane Storage in Mesoporous Metal-Organic Frameworks.","Journal of the American Chemical Society","2017","139","38","13300","13303","10.1021/jacs.7b08347","","","0.82651","Synchrotron","","0.0462","0.0382","","","0.1183","0.128","","","","","","1.005","","","","has coordinates","241839","2020-10-21","18:00:00",""
"4131667","77.569","0.009","77.569","0.009","77.569","0.009","90","","90","","90","","466729","9","298","2","298","2","","","","","","","","5","F 4 3 2","F 4 2 3","209","","","","- C228 H138 N36 O65 Zn20 -","- C228 H138 N36 O65 Zn20 -","- C3648 H2208 N576 O1040 Zn320 -","16","0.166667","","Liang, Cong-Cong; Shi, Zhao-Lin; He, Chun-Ting; Tan, Jing; Zhou, Hu-Die; Zhou, Hao-Long; Lee, Yongjin; Zhang, Yue-Biao","Engineering of Pore Geometry for Ultrahigh Capacity Methane Storage in Mesoporous Metal-Organic Frameworks.","Journal of the American Chemical Society","2017","139","38","13300","13303","10.1021/jacs.7b08347","","","0.8265","","","0.0572","0.0345","","","0.0817","0.0901","","","","","","0.966","","","","has coordinates,has disorder","241840","2020-10-21","18:00:00",""
"4131668","30.559","0.0009","7.1819","0.0002","26.4061","0.0009","90","","103.31","0.002","90","","5639.7","0.3","100","","100","","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C24 H19 N3 O4 Pd -","- C24 H19 N3 O4 Pd -","- C192 H152 N24 O32 Pd8 -","8","1","","O'Duill, Miriam L; Matsuura, Rei; Wang, Yanyan; Turnbull, Joshua L.; Gurak, Jr, John A; Gao, De-Wei; Lu, Gang; Liu, Peng; Engle, Keary M.","Tridentate Directing Groups Stabilize 6-Membered Palladacycles in Catalytic Alkene Hydrofunctionalization.","Journal of the American Chemical Society","2017","139","44","15576","15579","10.1021/jacs.7b08383","","x-ray","0.71073","MoKα","K-L~3~","0.0424","0.0377","","","0.0901","0.0929","","","","","","1.132","","","","has coordinates","241841","2020-10-21","18:00:00",""
"4131669","8.1556","0.0011","10.4321","0.0013","16.817","0.002","76.394","0.003","79.665","0.004","71.2","0.003","1308.1","0.3","100","","100","","","","","","","","","5","P -1","-P 1","2","","","","- C30 H29 N3 O5 S -","- C30 H29 N3 O5 S -","- C60 H58 N6 O10 S2 -","2","1","","O'Duill, Miriam L; Matsuura, Rei; Wang, Yanyan; Turnbull, Joshua L.; Gurak, Jr, John A; Gao, De-Wei; Lu, Gang; Liu, Peng; Engle, Keary M.","Tridentate Directing Groups Stabilize 6-Membered Palladacycles in Catalytic Alkene Hydrofunctionalization.","Journal of the American Chemical Society","2017","139","44","15576","15579","10.1021/jacs.7b08383","","x-ray","0.71073","MoKα","K-L~3~","0.0578","0.045","","","0.1061","0.1152","","","","","","1.039","","","","has coordinates,has disorder","241842","2020-10-21","18:00:00",""
"4131670","8.5111","0.0005","10.9386","0.0006","19.1791","0.001","81.916","0.003","86.459","0.002","69.01","0.003","1650.39","0.16","100","","100.15","","","","","","","","","5","P -1","-P 1","2","","","","- C34 H36 N6 O7 Pd2 -","- C34 H36 N6 O7 Pd2 -","- C68 H72 N12 O14 Pd4 -","2","1","","O'Duill, Miriam L; Matsuura, Rei; Wang, Yanyan; Turnbull, Joshua L.; Gurak, Jr, John A; Gao, De-Wei; Lu, Gang; Liu, Peng; Engle, Keary M.","Tridentate Directing Groups Stabilize 6-Membered Palladacycles in Catalytic Alkene Hydrofunctionalization.","Journal of the American Chemical Society","2017","139","44","15576","15579","10.1021/jacs.7b08383","","","1.54178","CuKα","","0.0346","0.0311","","","0.0751","0.0771","","","","","","1.052","","","","has coordinates","241843","2020-10-21","18:00:00",""
"4131671","10.5764","0.0005","36.38","0.0019","14.01","0.0007","90","","107.446","0.002","90","","5142.7","0.4","150","2","150","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C52 H54 N8 O7 Rh2 S2 -","- C52 H54 N8 O7 Rh2 S2 -","- C208 H216 N32 O28 Rh8 S8 -","4","1","","Whittemore, Tyler J.; Sayre, Hannah J.; Xue, Congcong; White, Travis A.; Gallucci, Judith C.; Turro, Claudia","New Rh<sub>2</sub>(II,II) Complexes for Solar Energy Applications: Panchromatic Absorption and Excited-State Reactivity.","Journal of the American Chemical Society","2017","139","41","14724","14732","10.1021/jacs.7b08489","","x-ray","0.71073","MoKα","","0.0418","0.0322","","","0.0847","0.0888","","","","","","1.066","","","","has coordinates","241844","2020-10-21","18:00:00",""
"4131672","6.1822","0.0012","13.451","0.003","14.282","0.003","79.78","0.03","89.81","0.03","76.78","0.03","1137","0.5","296","2","296","2","","","","","","","","5","P 1","P 1","1","","","","- C22 H28 I N O5 -","- C22 H28 I N O5 -","- C44 H56 I2 N2 O10 -","2","2","","Zheng, Kuan; Shen, Defeng; Hong, Ran","Biomimetic Synthesis of Lankacidin Antibiotics.","Journal of the American Chemical Society","2017","139","37","12939","12942","10.1021/jacs.7b08500","","","0.71073","MoKα","","0.1066","0.0451","","","0.1042","0.1275","","","","","","0.933","","","","has coordinates","241845","2020-10-21","18:00:00",""
"4131673","26.6787","0.0002","6.1565","0.0003","17.006","0.0003","90","","123.668","0.004","90","","2324.67","0.16","296","2","296","2","","","","","","","","5","C 1 2 1","C 2y","5","","","","- C22 H28 I N O5 -","- C22 H28 I N O5 -","- C88 H112 I4 N4 O20 -","4","1","","Zheng, Kuan; Shen, Defeng; Hong, Ran","Biomimetic Synthesis of Lankacidin Antibiotics.","Journal of the American Chemical Society","2017","139","37","12939","12942","10.1021/jacs.7b08500","","","0.71073","MoKα","","0.0427","0.0338","","","0.0709","0.0757","","","","","","1.022","","","","has coordinates","241846","2020-10-21","18:00:00",""
"4131674","6.7578","0.0015","7.6767","0.0018","26.524","0.006","90","","90","","90","","1376","0.5","293","2","293","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C15 H18 O3 -","- C15 H18 O3 -","- C60 H72 O12 -","4","1","","Zheng, Kuan; Shen, Defeng; Hong, Ran","Biomimetic Synthesis of Lankacidin Antibiotics.","Journal of the American Chemical Society","2017","139","37","12939","12942","10.1021/jacs.7b08500","","","0.71073","MoKα","","0.1244","0.0742","","","0.1521","0.1764","","","","","","1.03","","","","has coordinates","241847","2020-10-21","18:00:00",""
"4131675","13.443","0.0014","5.8222","0.0006","15.2575","0.0016","90","","101.159","0.002","90","","1171.6","0.2","293","2","293","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C25 H29 N O5 -","- C25 H29 N O5 -","- C50 H58 N2 O10 -","2","1","","Zheng, Kuan; Shen, Defeng; Hong, Ran","Biomimetic Synthesis of Lankacidin Antibiotics.","Journal of the American Chemical Society","2017","139","37","12939","12942","10.1021/jacs.7b08500","","","0.71073","MoKα","","0.0723","0.0527","","","0.1481","0.1674","","","","","","0.981","","","","has coordinates","241848","2020-10-21","18:00:00",""
"4131676","23.701","0.004","6.8855","0.0011","16.964","0.003","90","","121.446","0.007","90","","2361.8","0.7","293","2","293","2","","","","","","","","6","C 1 2 1","C 2y","5","","","","- C19 H29 N O5 S2 Si -","- C19 H29 N O5 S2 Si -","- C76 H116 N4 O20 S8 Si4 -","4","1","","Zheng, Kuan; Shen, Defeng; Hong, Ran","Biomimetic Synthesis of Lankacidin Antibiotics.","Journal of the American Chemical Society","2017","139","37","12939","12942","10.1021/jacs.7b08500","","","0.71073","MoKα","","0.0708","0.059","","","0.1513","0.162","","","","","","1.024","","","","has coordinates,has disorder","241849","2020-10-21","18:00:00",""
"4131677","12.0608","0.0006","12.0783","0.0006","7.3327","0.0005","90","","93.252","0.005","90","","1066.46","0.1","150","","150","","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C11 H7 Cl F N O S -","- C11 H7 Cl F N O S -","- C44 H28 Cl4 F4 N4 O4 S4 -","4","1","","Pascoe, Dominic J.; Ling, Kenneth B.; Cockroft, Scott L.","The Origin of Chalcogen-Bonding Interactions.","Journal of the American Chemical Society","2017","139","42","15160","15167","10.1021/jacs.7b08511","","x-ray","0.71073","MoKα","","0.0548","0.0437","","","0.0808","0.0847","","","","","","1.11","","","","has coordinates","241850","2020-10-21","18:00:00",""
"4131678","11.4339","0.0003","40.051","0.0011","54.661","0.002","90","","90","","90","","25031.4","1.3","173","2","173","2","","","","","","","","5","F d d d :2","-F 2uv 2vw","70","","","","- C73 H81 Cl2 N4 Ru2 -","- C64 H72 Cl2 N4 Ru2 -","- C1024 H1152 Cl32 N64 Ru32 -","16","0.5","","Bailey, Gwendolyn A.; Lummiss, Justin A. M.; Foscato, Marco; Occhipinti, Giovanni; McDonald, Robert; Jensen, Vidar R.; Fogg, Deryn E.","Decomposition of Olefin Metathesis Catalysts by Brønsted Base: Metallacyclobutane Deprotonation as a Primary Deactivating Event.","Journal of the American Chemical Society","2017","139","46","16446","16449","10.1021/jacs.7b08578","","","1.54178","CuKα","","0.0825","0.0658","","","0.1688","0.1877","","","","","","1.191","","","","has coordinates,has disorder","241851","2020-10-21","18:00:00",""
"4131679","10.6206","0.0003","11.5671","0.0003","13.1397","0.0003","98.4882","0.0007","109.767","0.0006","110.9","0.0006","1351.46","0.06","223","2","223","2","","","","","","","","6","P -1","-P 1","2","","","","- C56 H68 Cl2 N4 O4 Ru2 -","- C56 H68 Cl2 N4 O4 Ru2 -","- C56 H68 Cl2 N4 O4 Ru2 -","1","0.5","","Bailey, Gwendolyn A.; Lummiss, Justin A. M.; Foscato, Marco; Occhipinti, Giovanni; McDonald, Robert; Jensen, Vidar R.; Fogg, Deryn E.","Decomposition of Olefin Metathesis Catalysts by Brønsted Base: Metallacyclobutane Deprotonation as a Primary Deactivating Event.","Journal of the American Chemical Society","2017","139","46","16446","16449","10.1021/jacs.7b08578","","","1.54178","CuKα","","0.0252","0.025","","","0.0667","0.067","","","","","","1.068","","","","has coordinates","241852","2020-10-21","18:00:00",""
"4131680","14.689","0.003","16.134","0.004","16.338","0.004","105.911","0.006","109.936","0.006","109.388","0.006","3088.7","1.3","173","2","173","2","","","","","","","","6","P -1","-P 1","2","","","","- C38 H28 N8 Ni O3.6 Re0.4 -","- C38 H28 N8 Ni O3.6 Re0.4 -","- C76 H56 N16 Ni2 O7.2 Re0.8 -","2","1","","Zhu, Lin; Sheng, Daopeng; Xu, Chao; Dai, Xing; Silver, Mark A.; Li, Jie; Li, Peng; Wang, Yaxing; Wang, Yanlong; Chen, Lanhua; Xiao, Chengliang; Chen, Jing; Zhou, Ruhong; Zhang, Chao; Farha, Omar K.; Chai, Zhifang; Albrecht-Schmitt, Thomas E; Wang, Shuao","Identifying the Recognition Site for Selective Trapping of <sup>99</sup>TcO<sub>4</sub><sup>-</sup> in a Hydrolytically Stable and Radiation Resistant Cationic Metal-Organic Framework.","Journal of the American Chemical Society","2017","139","42","14873","14876","10.1021/jacs.7b08632","","","0.71073","MoKα","","0.1106","0.077","","","0.2279","0.2488","","","","","","1.037","","","","has coordinates","241853","2020-10-21","18:00:00",""
"4131681","14.487","0.002","16.155","0.002","16.239","0.002","106.811","0.005","109.4","0.005","109.306","0.005","3024.2","0.7","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C38 H28 N8 Ni O2 -","- C38 H28 N8 Ni O2 -","- C76 H56 N16 Ni2 O4 -","2","1","","Zhu, Lin; Sheng, Daopeng; Xu, Chao; Dai, Xing; Silver, Mark A.; Li, Jie; Li, Peng; Wang, Yaxing; Wang, Yanlong; Chen, Lanhua; Xiao, Chengliang; Chen, Jing; Zhou, Ruhong; Zhang, Chao; Farha, Omar K.; Chai, Zhifang; Albrecht-Schmitt, Thomas E; Wang, Shuao","Identifying the Recognition Site for Selective Trapping of <sup>99</sup>TcO<sub>4</sub><sup>-</sup> in a Hydrolytically Stable and Radiation Resistant Cationic Metal-Organic Framework.","Journal of the American Chemical Society","2017","139","42","14873","14876","10.1021/jacs.7b08632","","","0.71073","MoKα","","0.0922","0.0567","","","0.1629","0.1787","","","","","","1.136","","","","has coordinates","241854","2020-10-21","18:00:00",""
"4131682","14.665","0.002","16.116","0.003","16.329","0.003","106.1","0.005","109.903","0.005","109.451","0.005","3071.5","1","173","2","173","2","","","","","","","","6","P -1","-P 1","2","","","","- C38 H28 N8 Ni O3.2 Tc0.3 -","- C38 H28 N8 Ni O3.2 Tc0.3 -","- C76 H56 N16 Ni2 O6.4 Tc0.6 -","2","1","","Zhu, Lin; Sheng, Daopeng; Xu, Chao; Dai, Xing; Silver, Mark A.; Li, Jie; Li, Peng; Wang, Yaxing; Wang, Yanlong; Chen, Lanhua; Xiao, Chengliang; Chen, Jing; Zhou, Ruhong; Zhang, Chao; Farha, Omar K.; Chai, Zhifang; Albrecht-Schmitt, Thomas E; Wang, Shuao","Identifying the Recognition Site for Selective Trapping of <sup>99</sup>TcO<sub>4</sub><sup>-</sup> in a Hydrolytically Stable and Radiation Resistant Cationic Metal-Organic Framework.","Journal of the American Chemical Society","2017","139","42","14873","14876","10.1021/jacs.7b08632","","","0.71073","MoKα","","0.076","0.0606","","","0.1936","0.2024","","","","","","1.522","","","","has coordinates","241855","2020-10-21","18:00:00",""
"4131683","35.924","0.005","95.717","0.012","36.659","0.005","90","","94.532","0.008","90","","125659","3","120","2","120","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C840 H1092 Au279 S83 -","- Au279 S84 -","- Au1116 S336 -","4","1","","Sakthivel, Naga Arjun; Theivendran, Shevanuja; Ganeshraj, Vigneshraja; Oliver, Allen G.; Dass, Amala","Crystal Structure of Faradaurate-279: Au<sub>279</sub>(SPh-tBu)<sub>84</sub> Plasmonic Nanocrystal Molecules.","Journal of the American Chemical Society","2017","139","43","15450","15459","10.1021/jacs.7b08651","","","1.54184","CuKα","","0.2513","0.1372","","","0.3456","0.3968","","","","","","1.743","","","","has coordinates,has disorder","241856","2020-10-21","18:00:00",""
"4131684","42.4313","0.0018","42.4313","0.0018","15.8882","0.0008","90","","90","","90","","28605","2","100","2","100.01","","","","","","","","","4","I 41/a :2","-I 4ad","88","","","","- C76 H62 Fe N3 -","- C76 H62 Fe N3 -","- C1216 H992 Fe16 N48 -","16","1","","Wilding, Matthew J. T.; Iovan, Diana A.; Wrobel, Alexandra T.; Lukens, James T.; MacMillan, Samantha N.; Lancaster, Kyle M.; Betley, Theodore A.","Direct Comparison of C-H Bond Amination Efficacy through Manipulation of Nitrogen-Valence Centered Redox: Imido versus Iminyl.","Journal of the American Chemical Society","2017","139","41","14757","14766","10.1021/jacs.7b08714","","","0.71073","MoKα","","0.1467","0.0892","","","0.2592","0.2799","","","","","","1.136","","","","has coordinates,has disorder","241857","2020-10-21","18:00:00",""
"4131685","14.694","0.003","15.145","0.003","16.966","0.004","68.051","0.003","84.136","0.003","79.987","0.003","3445.8","1.3","100","2","100.05","","","","","","","","","4","P -1","-P 1","2","","","","- C76 H63 Fe N3 -","- C76 H63 Fe N3 -","- C152 H126 Fe2 N6 -","2","1","","Wilding, Matthew J. T.; Iovan, Diana A.; Wrobel, Alexandra T.; Lukens, James T.; MacMillan, Samantha N.; Lancaster, Kyle M.; Betley, Theodore A.","Direct Comparison of C-H Bond Amination Efficacy through Manipulation of Nitrogen-Valence Centered Redox: Imido versus Iminyl.","Journal of the American Chemical Society","2017","139","41","14757","14766","10.1021/jacs.7b08714","","","0.71073","MoKα","","0.165","0.0885","","","0.2473","0.2798","","","","","","0.969","","","","has coordinates","258458","2020-10-21","18:00:00",""
"4131686","4.8473","0.001","5.199","0.001","15.806","0.003","92.536","0.003","92.576","0.003","95.768","0.003","395.43","0.13","100","2","100","2","","","","","","","","4","P -1","-P 1","2","","","","- C20 H16 N2 O2 -","- C20 H16 N2 O2 -","- C20 H16 N2 O2 -","1","0.5","","Jordan, Robert S.; Li, Yolanda L.; Lin, Cheng-Wei; McCurdy, Ryan D.; Lin, Janice B.; Brosmer, Jonathan L.; Marsh, Kristofer L.; Khan, Saeed I.; Houk, K. N.; Kaner, Richard B.; Rubin, Yves","Synthesis of N = 8 Armchair Graphene Nanoribbons from Four Distinct Polydiacetylenes.","Journal of the American Chemical Society","2017","139","44","15878","15890","10.1021/jacs.7b08800","","","0.71073","MoKα","","0.0702","0.0443","","","0.1015","0.1107","","","","","","1.043","","","","has coordinates","241858","2020-10-21","18:00:00",""
"4131687","5.385","0.0001","4.9432","0.0001","27.2148","0.0007","90","","90.2187","0.0016","90","","724.43","0.03","100","2","100","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C20 H14 O2 -","- C20 H14 O2 -","- C40 H28 O4 -","2","0.5","","Jordan, Robert S.; Li, Yolanda L.; Lin, Cheng-Wei; McCurdy, Ryan D.; Lin, Janice B.; Brosmer, Jonathan L.; Marsh, Kristofer L.; Khan, Saeed I.; Houk, K. N.; Kaner, Richard B.; Rubin, Yves","Synthesis of N = 8 Armchair Graphene Nanoribbons from Four Distinct Polydiacetylenes.","Journal of the American Chemical Society","2017","139","44","15878","15890","10.1021/jacs.7b08800","","","1.54178","CuKα","","0.0374","0.0324","","","0.0867","0.0891","","","","","","1.057","","","","has coordinates","241859","2020-10-21","18:00:00",""
"4131688","4.7918","0.0002","5.431","0.0002","19.0454","0.0007","88.299","0.002","89.48","0.001","81.756","0.002","490.3","0.03","100","2","100","2","","","","","","","","4","P -1","-P 1","2","","","","- C24 H24 N2 O2 -","- C24 H24 N2 O2 -","- C24 H24 N2 O2 -","1","0.5","","Jordan, Robert S.; Li, Yolanda L.; Lin, Cheng-Wei; McCurdy, Ryan D.; Lin, Janice B.; Brosmer, Jonathan L.; Marsh, Kristofer L.; Khan, Saeed I.; Houk, K. N.; Kaner, Richard B.; Rubin, Yves","Synthesis of N = 8 Armchair Graphene Nanoribbons from Four Distinct Polydiacetylenes.","Journal of the American Chemical Society","2017","139","44","15878","15890","10.1021/jacs.7b08800","","","1.54178","CuKα","","0.0416","0.039","","","0.1092","0.1115","","","","","","1.052","","","","has coordinates","241860","2020-10-21","18:00:00",""
"4131689","11.6141","0.0017","16.5066","0.0018","17.648","0.003","85.169","0.005","85.229","0.006","70.914","0.004","3180.4","0.8","100","2","100.01","","","","","","","","","7","P -1","-P 1","2","","","","- C52 H70 B3 F12 Fe2 N14 O5 -","- C52 H70 B3 F12 Fe2 N14 O5 -","- C104 H140 B6 F24 Fe4 N28 O10 -","2","1","","Jana, Manish; Pal, Nabhendu; White, Corey J.; Kupper, Claudia; Meyer, Franc; Lehnert, Nicolai; Majumdar, Amit","Functional Mononitrosyl Diiron(II) Complex Mediates the Reduction of NO to N<sub>2</sub>O with Relevance for Flavodiiron NO Reductases.","Journal of the American Chemical Society","2017","139","41","14380","14383","10.1021/jacs.7b08855","","x-ray","0.71073","MoKα","","0.1718","0.1082","","","0.2867","0.3495","","","","","","1.055","","","","has coordinates,has disorder","241861","2020-10-21","18:00:00",""
"4131690","11.784","0.011","16.53","0.015","17.793","0.016","84.348","0.011","86.138","0.011","70.556","0.01","3250","5","150","2","150","2","","","","","","","","7","P -1","-P 1","2","","","","- C52 H70 B3 F12 Fe2 N14 O5 -","- C52 H70 B3 F12 Fe2 N14 O5 -","- C104 H140 B6 F24 Fe4 N28 O10 -","2","1","","Jana, Manish; Pal, Nabhendu; White, Corey J.; Kupper, Claudia; Meyer, Franc; Lehnert, Nicolai; Majumdar, Amit","Functional Mononitrosyl Diiron(II) Complex Mediates the Reduction of NO to N<sub>2</sub>O with Relevance for Flavodiiron NO Reductases.","Journal of the American Chemical Society","2017","139","41","14380","14383","10.1021/jacs.7b08855","","x-ray","0.71073","MoKα","","0.133","0.0843","","","0.242","0.2722","","","","","","1.053","","","","has coordinates,has disorder","241862","2020-10-21","18:00:00",""
"4131691","11.73","0.008","16.672","0.011","17.852","0.012","85.098","0.009","85.288","0.011","70.783","0.009","3279","4","150","2","150","2","","","","","","","","7","P -1","-P 1","2","","","","- C52 H70 B3 F12 Fe2 N14 O5 -","- C52 H70 B3 F12 Fe2 N14 O5 -","- C104 H140 B6 F24 Fe4 N28 O10 -","2","1","","Jana, Manish; Pal, Nabhendu; White, Corey J.; Kupper, Claudia; Meyer, Franc; Lehnert, Nicolai; Majumdar, Amit","Functional Mononitrosyl Diiron(II) Complex Mediates the Reduction of NO to N<sub>2</sub>O with Relevance for Flavodiiron NO Reductases.","Journal of the American Chemical Society","2017","139","41","14380","14383","10.1021/jacs.7b08855","","x-ray","0.71073","MoKα","","0.2818","0.1058","","","0.2178","0.2987","","","","","","0.934","","","","has coordinates,has disorder","241863","2020-10-21","18:00:00",""
"4131692","11.679","0.002","16.572","0.003","17.764","0.003","84.935","0.005","85.446","0.005","70.766","0.005","3228.9","1","150","2","150","2","","","","","","","","7","P -1","-P 1","2","","","","- C52 H70 B3 F12 Fe2 N14 O5 -","- C52 H70 B3 F12 Fe2 N14 O5 -","- C104 H140 B6 F24 Fe4 N28 O10 -","2","1","","Jana, Manish; Pal, Nabhendu; White, Corey J.; Kupper, Claudia; Meyer, Franc; Lehnert, Nicolai; Majumdar, Amit","Functional Mononitrosyl Diiron(II) Complex Mediates the Reduction of NO to N<sub>2</sub>O with Relevance for Flavodiiron NO Reductases.","Journal of the American Chemical Society","2017","139","41","14380","14383","10.1021/jacs.7b08855","","x-ray","0.71073","MoKα","","0.2544","0.1038","","","0.2184","0.2924","","","","","","0.956","","","","has coordinates,has disorder","241864","2020-10-21","18:00:00",""
"4131693","13.951","0.006","22.262","0.009","15.711","0.006","90","","95.438","0.011","90","","4858","3","150","2","150","2","","","","","","","","8","P 1 21/n 1","-P 2yn","14","","","","- C45 H52 B2 F8 Fe2 N10 O2 S -","- C45 H52 B2 F8 Fe2 N10 O2 S -","- C180 H208 B8 F32 Fe8 N40 O8 S4 -","4","1","","Jana, Manish; Pal, Nabhendu; White, Corey J.; Kupper, Claudia; Meyer, Franc; Lehnert, Nicolai; Majumdar, Amit","Functional Mononitrosyl Diiron(II) Complex Mediates the Reduction of NO to N<sub>2</sub>O with Relevance for Flavodiiron NO Reductases.","Journal of the American Chemical Society","2017","139","41","14380","14383","10.1021/jacs.7b08855","","x-ray","0.71073","MoKα","","0.1519","0.0799","","","0.1849","0.2227","","","","","","1.021","","","","has coordinates,has disorder","241865","2020-10-21","18:00:00",""
"4131694","15.5333","0.0015","9.9375","0.001","16.9501","0.0016","90","","99.275","0.003","90","","2582.2","0.4","100","","100","","","","","","","","see text","6","P 1 21/c 1","-P 2ybc","14","","","","- C20 H41 Al Br2 N2 Si -","- C20 H41 Al Br2 N2 Si -","- C80 H164 Al4 Br8 N8 Si4 -","4","1","","Bag, Prasenjit; Porzelt, Amelie; Altmann, Philipp J.; Inoue, Shigeyoshi","A Stable Neutral Compound with an Aluminum-Aluminum Double Bond.","Journal of the American Chemical Society","2017","139","41","14384","14387","10.1021/jacs.7b08890","","x-ray","0.71073","MoKα","","0.0398","0.0314","","","0.063","0.0654","","","","","","1.152","","","","has coordinates","241866","2020-10-21","18:00:00",""
"4131695","9.1376","0.0003","11.34","0.0004","15.0779","0.0005","96.189","0.001","106.151","0.001","113.011","0.001","1339.23","0.08","100","","100","","","","","","","","see text","6","P -1","-P 1","2","","","","- C20 H41 Al I2 N2 Si -","- C20 H41 Al I2 N2 Si -","- C40 H82 Al2 I4 N4 Si2 -","2","1","","Bag, Prasenjit; Porzelt, Amelie; Altmann, Philipp J.; Inoue, Shigeyoshi","A Stable Neutral Compound with an Aluminum-Aluminum Double Bond.","Journal of the American Chemical Society","2017","139","41","14384","14387","10.1021/jacs.7b08890","","x-ray","0.71073","MoKα","","0.0163","0.0146","","","0.035","0.0357","","","","","","1.079","","","","has coordinates","241867","2020-10-21","18:00:00",""
"4131696","9.5006","0.0005","11.8557","0.0006","11.8594","0.0006","99.203","0.002","106.019","0.002","110.967","0.002","1148.04","0.11","100","","100","","","","","","","","see text","5","P -1","-P 1","2","","","","- C40 H82 Al2 N4 Si2 -","- C40 H82 Al2 N4 Si2 -","- C40 H82 Al2 N4 Si2 -","1","0.5","","Bag, Prasenjit; Porzelt, Amelie; Altmann, Philipp J.; Inoue, Shigeyoshi","A Stable Neutral Compound with an Aluminum-Aluminum Double Bond.","Journal of the American Chemical Society","2017","139","41","14384","14387","10.1021/jacs.7b08890","","x-ray","0.71073","MoKα","","0.0783","0.0676","","","0.1693","0.1789","","","","","","1.05","","","","has coordinates,has disorder","241868","2020-10-21","18:00:00",""
"4131697","12.5284","0.0006","17.6881","0.001","14.2283","0.0007","90","","113.22","0.002","90","","2897.6","0.3","100","","100","","","","","","","","see text","5","P 1 21 1","P 2yb","4","","","","- C53 H100 Al2 N4 Si2 -","- C53 H100 Al2 N4 Si2 -","- C106 H200 Al4 N8 Si4 -","2","1","","Bag, Prasenjit; Porzelt, Amelie; Altmann, Philipp J.; Inoue, Shigeyoshi","A Stable Neutral Compound with an Aluminum-Aluminum Double Bond.","Journal of the American Chemical Society","2017","139","41","14384","14387","10.1021/jacs.7b08890","","x-ray","0.71073","MoKα","","0.0319","0.029","","","0.0712","0.0728","","","","","","1.027","","","","has coordinates,has disorder","241869","2020-10-21","18:00:00",""
"4131698","31.4094","0.0016","17.7939","0.0008","23.1766","0.0012","90","","123.683","0.001","90","","10778.7","0.9","100","","100","","","","","","","","see text","5","C 1 2/c 1","-C 2yc","15","","","","- C49 H94 Al2 N4 Si2 -","- C49 H94 Al2 N4 Si2 -","- C392 H752 Al16 N32 Si16 -","8","1","","Bag, Prasenjit; Porzelt, Amelie; Altmann, Philipp J.; Inoue, Shigeyoshi","A Stable Neutral Compound with an Aluminum-Aluminum Double Bond.","Journal of the American Chemical Society","2017","139","41","14384","14387","10.1021/jacs.7b08890","","x-ray","0.71073","MoKα","","0.0618","0.0413","","","0.0916","0.097","","","","","","1.062","","","","has coordinates,has disorder","241870","2020-10-21","18:00:00",""
"4131699","11.55","0.0013","37.053","0.004","26.689","0.003","90","","102.37","0.003","90","","11157","2","100","","100","","","","","","","","see text","5","P 1 21/n 1","-P 2yn","14","","","","- C48 H88 Al2 N4 Si2 -","- C48 H88 Al2 N4 Si2 -","- C384 H704 Al16 N32 Si16 -","8","2","","Bag, Prasenjit; Porzelt, Amelie; Altmann, Philipp J.; Inoue, Shigeyoshi","A Stable Neutral Compound with an Aluminum-Aluminum Double Bond.","Journal of the American Chemical Society","2017","139","41","14384","14387","10.1021/jacs.7b08890","","x-ray","0.71073","MoKα","","0.0931","0.0551","","","0.1227","0.138","","","","","","1.023","","","","has coordinates","241871","2020-10-21","18:00:00",""
"4131700","18.4029","0.0019","18.4029","0.0019","16.434","0.003","90","","90","","90","","5565.6","1.3","110","","110","","","","","","","","","6","I -4","I -4","82","","","","- C108 H144 Ag4 Au4 N8 S4 -","- C108 H144 Ag4 Au4 N8 S4 -","- C216 H288 Ag8 Au8 N16 S8 -","2","0.25","","Polgar, Alexander M.; Weigend, Florian; Zhang, Angel; Stillman, Martin J.; Corrigan, John F.","A N-Heterocyclic Carbene-Stabilized Coinage Metal-Chalcogenide Framework with Tunable Optical Properties.","Journal of the American Chemical Society","2017","139","40","14045","14048","10.1021/jacs.7b09025","","","0.71073","MoKα","","0.0214","0.0189","","","0.047","0.0482","","","","","","0.717","","","","has coordinates","241873","2020-10-21","18:00:00",""
"4131701","18.437","0.004","18.437","0.004","16.477","0.006","90","","90","","90","","5601","3","110","","110","","","","","","","","","6","I -4","I -4","82","","","","- C108 H144 Ag4 Au4 N8 Se4 -","- C108 H144 Ag4 Au4 N8 Se4 -","- C216 H288 Ag8 Au8 N16 Se8 -","2","0.25","","Polgar, Alexander M.; Weigend, Florian; Zhang, Angel; Stillman, Martin J.; Corrigan, John F.","A N-Heterocyclic Carbene-Stabilized Coinage Metal-Chalcogenide Framework with Tunable Optical Properties.","Journal of the American Chemical Society","2017","139","40","14045","14048","10.1021/jacs.7b09025","","","0.71073","MoKα","","0.0372","0.0261","","","0.0394","0.0412","","","","","","0.974","","","","has coordinates","241873","2020-10-21","18:00:00",""
"4131702","18.389","0.005","18.389","0.005","16.455","0.004","90","","90","","90","","5564","3","110","2","110","2","","","","","","","","5","I -4","I -4","82","","","","- C108 H144 Au8 N8 S4 -","- C108 H144 Au8 N8 S4 -","- C216 H288 Au16 N16 S8 -","2","0.25","","Polgar, Alexander M.; Weigend, Florian; Zhang, Angel; Stillman, Martin J.; Corrigan, John F.","A N-Heterocyclic Carbene-Stabilized Coinage Metal-Chalcogenide Framework with Tunable Optical Properties.","Journal of the American Chemical Society","2017","139","40","14045","14048","10.1021/jacs.7b09025","","","0.71073","MoKα","","0.056","0.033","","","0.0684","0.0752","","","","","","0.991","","","","has coordinates","241873","2020-10-21","18:00:00",""
"4131703","18.451","0.005","18.451","","16.458","0.006","90","","90","","90","","5603","3","110","","110","","","","","","","","","5","I -4","I -4","82","","","","- C108 H144 Au8 N8 Se4 -","- C108 H144 Au8 N8 Se4 -","- C216 H288 Au16 N16 Se8 -","2","0.25","","Polgar, Alexander M.; Weigend, Florian; Zhang, Angel; Stillman, Martin J.; Corrigan, John F.","A N-Heterocyclic Carbene-Stabilized Coinage Metal-Chalcogenide Framework with Tunable Optical Properties.","Journal of the American Chemical Society","2017","139","40","14045","14048","10.1021/jacs.7b09025","","","0.71073","MoKα","","0.0301","0.0238","","","0.0437","0.0455","","","","","","1.006","","","","has coordinates","241873","2020-10-21","18:00:00",""
"4131704","14.9225","0.0011","22.1262","0.0018","34.994","0.003","90","","90","","90","","11554.3","1.6","110","","110","","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C112 H152 Au8 N8 O Te4 -","- C112 H152 Au8 N8 O Te4 -","- C448 H608 Au32 N32 O4 Te16 -","4","1","","Polgar, Alexander M.; Weigend, Florian; Zhang, Angel; Stillman, Martin J.; Corrigan, John F.","A N-Heterocyclic Carbene-Stabilized Coinage Metal-Chalcogenide Framework with Tunable Optical Properties.","Journal of the American Chemical Society","2017","139","40","14045","14048","10.1021/jacs.7b09025","","","0.71073","MoKα","","0.0635","0.0379","","","0.0693","0.0784","","","","","","1.049","","","","has coordinates","241873","2020-10-21","18:00:00",""
"4131705","6.352","0.0007","12.4378","0.0009","43.97","0.003","90","","90","","90","","3473.8","0.5","293","","293","","","","","","","","","5","I m m a","-I 2b 2","74","Guanidinium Methylammonium Lead Iodide","","","- C4 H24 I10 N6 Pb3 -","- C4 H24 I10 N6 Pb3 -","- C16 H96 I40 N24 Pb12 -","4","0.25","","Soe, Chan Myae Myae; Stoumpos, Constantinos C.; Kepenekian, Mikaël; Traoré, Boubacar; Tsai, Hsinhan; Nie, Wanyi; Wang, Binghao; Katan, Claudine; Seshadri, Ram; Mohite, Aditya D.; Even, Jacky; Marks, Tobin J.; Kanatzidis, Mercouri G.","New Type of 2D Perovskites with Alternating Cations in the Interlayer Space, (C(NH<sub>2</sub>)<sub>3</sub>)(CH<sub>3</sub>NH<sub>3</sub>)<sub>n</sub>Pb<sub>n</sub>I<sub>3n+1</sub>: Structure, Properties, and Photovoltaic Performance.","Journal of the American Chemical Society","2017","139","45","16297","16309","10.1021/jacs.7b09096","","x-ray","0.71073","MoKα","","0.0863","0.0597","","","0.1254","0.127","","","","3.4","3.4","2.8","","","","has coordinates","241874","2020-10-21","18:00:00",""
"4131706","6.3729","0.0004","12.5435","0.0008","31.376","0.002","90","","90","","90","","2508.1","0.3","293","","293","","","","","","","","","5","B m m 2","B 2 -2","38","Guanidinium Methylammonium Lead Iodide","","","- C3 H18 I7 N5 Pb2 -","- C3 H18 I7 N5 Pb2 -","- C12 H72 I28 N20 Pb8 -","4","0.5","","Soe, Chan Myae Myae; Stoumpos, Constantinos C.; Kepenekian, Mikaël; Traoré, Boubacar; Tsai, Hsinhan; Nie, Wanyi; Wang, Binghao; Katan, Claudine; Seshadri, Ram; Mohite, Aditya D.; Even, Jacky; Marks, Tobin J.; Kanatzidis, Mercouri G.","New Type of 2D Perovskites with Alternating Cations in the Interlayer Space, (C(NH<sub>2</sub>)<sub>3</sub>)(CH<sub>3</sub>NH<sub>3</sub>)<sub>n</sub>Pb<sub>n</sub>I<sub>3n+1</sub>: Structure, Properties, and Photovoltaic Performance.","Journal of the American Chemical Society","2017","139","45","16297","16309","10.1021/jacs.7b09096","","x-ray","0.71073","MoKα","","0.0898","0.0555","","","0.1099","0.1126","","","","2.66","2.66","2.19","","","","has coordinates","241875","2020-10-21","18:00:00",""
"4131707","6.4286","0.0006","12.4577","0.0009","18.8258","0.0013","90","","90","","90","","1507.7","0.2","293","","293","","","","","","","","","5","I m m a","-I 2b 2","74","Guanidinium Methylammonium Lead Iodide","","","- C2 H12 I4 N4 Pb -","- C2 H14 I4 N4 Pb -","- C8 H56 I16 N16 Pb4 -","4","0.25","","Soe, Chan Myae Myae; Stoumpos, Constantinos C.; Kepenekian, Mikaël; Traoré, Boubacar; Tsai, Hsinhan; Nie, Wanyi; Wang, Binghao; Katan, Claudine; Seshadri, Ram; Mohite, Aditya D.; Even, Jacky; Marks, Tobin J.; Kanatzidis, Mercouri G.","New Type of 2D Perovskites with Alternating Cations in the Interlayer Space, (C(NH<sub>2</sub>)<sub>3</sub>)(CH<sub>3</sub>NH<sub>3</sub>)<sub>n</sub>Pb<sub>n</sub>I<sub>3n+1</sub>: Structure, Properties, and Photovoltaic Performance.","Journal of the American Chemical Society","2017","139","45","16297","16309","10.1021/jacs.7b09096","","x-ray","0.71073","MoKα","","0.0677","0.0575","","","0.1356","0.1361","","","","3.6","3.6","3.18","","","","has coordinates","241876","2020-10-21","18:00:00",""
"4131708","12.8614","0.0001","17.9146","0.0002","18.8871","0.0002","90","","90","","90","","4351.72","0.08","100","2","100","2","","","","","","","","8","P 21 21 21","P 2ac 2ab","19","","","","- C49 H41 Br2 F N3 O2 Rh S2 -","- C49 H41 Br2 F N3 O2 Rh S2 -","- C196 H164 Br8 F4 N12 O8 Rh4 S8 -","4","1","","Ma, Jiajia; Rosales, Anthony R.; Huang, Xiaoqiang; Harms, Klaus; Riedel, Radostan; Wiest, Olaf; Meggers, Eric","Visible-Light-Activated Asymmetric β-C-H Functionalization of Acceptor-Substituted Ketones with 1,2-Dicarbonyl Compounds.","Journal of the American Chemical Society","2017","139","48","17245","17248","10.1021/jacs.7b09152","","","1.54178","CuKα","","0.0279","0.0265","","","0.0678","0.0687","","","","","","1.063","","","","has coordinates,has disorder","241877","2020-10-21","18:00:00",""
"4131709","10.3202","0.0005","15.5911","0.0006","19.1946","0.0008","78.028","0.001","74.768","0.002","83.519","0.002","2909.6","0.2","100","2","100","2","","","","","","","","5","P 1","P 1","1","MH127B","","","- C33 H34 N2 O4 S -","- C33 H34 N2 O4 S -","- C132 H136 N8 O16 S4 -","4","4","","Ma, Jiajia; Rosales, Anthony R.; Huang, Xiaoqiang; Harms, Klaus; Riedel, Radostan; Wiest, Olaf; Meggers, Eric","Visible-Light-Activated Asymmetric β-C-H Functionalization of Acceptor-Substituted Ketones with 1,2-Dicarbonyl Compounds.","Journal of the American Chemical Society","2017","139","48","17245","17248","10.1021/jacs.7b09152","","","0.71073","MoKα","","0.044","0.0377","","","0.0889","0.0918","","","","","","1.038","","","","has coordinates","241878","2020-10-21","18:00:00",""
"4131710","7.792","0.0003","10.0353","0.0004","11.4214","0.0005","95.921","0.002","90.442","0.003","111.095","0.002","827.83","0.06","100","2","100","2","","","","","","","","4","P -1","-P 1","2","","","","- C32 H42 P2 Si4 -","- C32 H42 P2 Si4 -","- C32 H42 P2 Si4 -","1","0.5","","Wu, Lipeng; Chitnis, Saurabh S.; Jiao, Haijun; Annibale, Vincent T.; Manners, Ian","Non-Metal-Catalyzed Heterodehydrocoupling of Phosphines and Hydrosilanes: Mechanistic Studies of B(C<sub>6</sub>F<sub>5</sub>)<sub>3</sub>-Mediated Formation of P-Si Bonds.","Journal of the American Chemical Society","2017","139","46","16780","16790","10.1021/jacs.7b09175","","","0.71073","MoKα","","0.0533","0.0459","","","0.1227","0.1257","","","","","","1.174","","","","has coordinates","241879","2020-10-21","18:00:00",""
"4131711","12.0012","0.0006","6.1504","0.0003","22.4927","0.0011","90","","97.606","0.003","90","","1645.63","0.14","100","2","100","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C36 H33 P3 Si3 -","- C36 H33 P3 Si3 -","- C72 H66 P6 Si6 -","2","1","","Wu, Lipeng; Chitnis, Saurabh S.; Jiao, Haijun; Annibale, Vincent T.; Manners, Ian","Non-Metal-Catalyzed Heterodehydrocoupling of Phosphines and Hydrosilanes: Mechanistic Studies of B(C<sub>6</sub>F<sub>5</sub>)<sub>3</sub>-Mediated Formation of P-Si Bonds.","Journal of the American Chemical Society","2017","139","46","16780","16790","10.1021/jacs.7b09175","","","0.71073","MoKα","","0.0957","0.0589","","","0.1118","0.1258","","","","","","1.021","","","","has coordinates,has disorder","241880","2020-10-21","18:00:00",""
"4131712","10.792","0.0011","10.7448","0.0011","27.763","0.003","90","","98.65","0.002","90","","3182.7","0.6","293","2","293","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C18 H23 N O4 -","- C18 H23 N O4 -","- C144 H184 N8 O32 -","8","2","","Li, Jian; Zhang, Wenhao; Zhang, Fei; Chen, Yu; Li, Ang","Total Synthesis of Longeracinphyllin A.","Journal of the American Chemical Society","2017","139","42","14893","14896","10.1021/jacs.7b09186","","","0.71073","MoKα","","0.0882","0.0615","","","0.1354","0.1498","","","","","","1.066","","","","has coordinates","241881","2020-10-21","18:00:00",""
"4131713","17.5698","0.0004","8.3155","0.0002","11.8728","0.0003","90","","99.083","0.001","90","","1712.88","0.07","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C21 H25 N O2 S -","- C21 H25 N O2 S -","- C84 H100 N4 O8 S4 -","4","1","","Li, Jian; Zhang, Wenhao; Zhang, Fei; Chen, Yu; Li, Ang","Total Synthesis of Longeracinphyllin A.","Journal of the American Chemical Society","2017","139","42","14893","14896","10.1021/jacs.7b09186","","","1.54178","CuKα","","0.0556","0.0449","","","0.1182","0.1259","","","","","","1.051","","","","has coordinates","241882","2020-10-21","18:00:00",""
"4131714","7.1734","0.0004","14.6205","0.0009","15.2005","0.0009","90","","90","","90","","1594.21","0.16","293","2","293","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C18 H25 N O4 -","- C18 H25 N O4 -","- C72 H100 N4 O16 -","4","1","","Li, Jian; Zhang, Wenhao; Zhang, Fei; Chen, Yu; Li, Ang","Total Synthesis of Longeracinphyllin A.","Journal of the American Chemical Society","2017","139","42","14893","14896","10.1021/jacs.7b09186","","","1.54178","CuKα","","0.0307","0.0305","","","0.0781","0.0782","","","","","","1.061","","","","has coordinates","241883","2020-10-21","18:00:00",""
"4131715","10.8118","0.0005","8.8697","0.0004","11.4025","0.0005","90","","104.619","0.002","90","","1058.07","0.08","293","2","293","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C23 H31 N O7 -","- C23 H31 N O7 -","- C46 H62 N2 O14 -","2","1","","Li, Jian; Zhang, Wenhao; Zhang, Fei; Chen, Yu; Li, Ang","Total Synthesis of Longeracinphyllin A.","Journal of the American Chemical Society","2017","139","42","14893","14896","10.1021/jacs.7b09186","","","1.54178","CuKα","","0.0324","0.0286","","","0.0678","0.0699","","","","","","1.051","","","","has coordinates","241884","2020-10-21","18:00:00",""
"4131716","9.4222","0.0006","7.4529","0.0005","15.4791","0.0012","90","","107.689","0.002","90","","1035.59","0.13","173","2","173","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C23 H27 N O7 -","- C23 H27 N O7 -","- C46 H54 N2 O14 -","2","1","","Li, Jian; Zhang, Wenhao; Zhang, Fei; Chen, Yu; Li, Ang","Total Synthesis of Longeracinphyllin A.","Journal of the American Chemical Society","2017","139","42","14893","14896","10.1021/jacs.7b09186","","","1.54178","CuKα","","0.028","0.0272","","","0.0736","0.0744","","","","","","1.037","","","","has coordinates","241885","2020-10-21","18:00:00",""
"4131717","13.9532","0.0009","12.0587","0.0007","20.2467","0.0012","90","","90","","90","","3406.7","0.4","299","2","299","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C21 H25 N O3 -","- C21 H25 N O3 -","- C168 H200 N8 O24 -","8","1","","Li, Jian; Zhang, Wenhao; Zhang, Fei; Chen, Yu; Li, Ang","Total Synthesis of Longeracinphyllin A.","Journal of the American Chemical Society","2017","139","42","14893","14896","10.1021/jacs.7b09186","","","1.54178","CuKα","","0.0492","0.0429","","","0.1505","0.157","","","","","","1.304","","","","has coordinates","241886","2020-10-21","18:00:00",""
"4131718","8.5702","0.0002","10.0842","0.0002","10.0388","0.0002","90","","103.439","0.001","90","","843.83","0.03","173","2","173","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C21 H27 N O2 -","- C21 H27 N O2 -","- C42 H54 N2 O4 -","2","1","","Li, Jian; Zhang, Wenhao; Zhang, Fei; Chen, Yu; Li, Ang","Total Synthesis of Longeracinphyllin A.","Journal of the American Chemical Society","2017","139","42","14893","14896","10.1021/jacs.7b09186","","","1.54178","CuKα","","0.0319","0.0304","","","0.0911","0.0938","","","","","","0.85","","","","has coordinates","241887","2020-10-21","18:00:00",""
"4131719","10.9607","0.0005","6.5772","0.0003","29.7316","0.0012","90","","110.131","0.002","90","","2012.43","0.16","293","2","293","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C23 H27 N O7 -","- C23 H27 N O7 -","- C92 H108 N4 O28 -","4","1","","Li, Jian; Zhang, Wenhao; Zhang, Fei; Chen, Yu; Li, Ang","Total Synthesis of Longeracinphyllin A.","Journal of the American Chemical Society","2017","139","42","14893","14896","10.1021/jacs.7b09186","","","1.54178","CuKα","","0.0527","0.0456","","","0.1135","0.1183","","","","","","1.056","","","","has coordinates","241888","2020-10-21","18:00:00",""
"4131720","8.956","0.0007","12.4495","0.0009","23.3598","0.0018","81.01","0.004","89.536","0.003","83.021","0.004","2553.4","0.3","100","2","100","2","","","","","","","","2","P -1","-P 1","2","","","","- C66.75 H57.75 -","- C66.75 H57.75 -","- C133.5 H115.5 -","2","1","","Jin, Zexin; Teo, Yew Chin; Teat, Simon J.; Xia, Yan","Regioselective Synthesis of [3]Naphthylenes and Tuning of Their Antiaromaticity.","Journal of the American Chemical Society","2017","139","44","15933","15939","10.1021/jacs.7b09222","","","0.7749","synchrotron","","0.0951","0.0818","","","0.2228","0.235","","","","","","1.073","","","","has coordinates","241889","2020-10-21","18:00:00",""
"4131721","19.9832","0.0008","5.5314","0.0002","22.3395","0.0012","90","","116.496","0.001","90","","2209.94","0.17","100","2","100","2","","","","","","","","2","P 1 21/c 1","-P 2ybc","14","","","","- C34 H24 -","- C34 H24 -","- C136 H96 -","4","1","","Jin, Zexin; Teo, Yew Chin; Teat, Simon J.; Xia, Yan","Regioselective Synthesis of [3]Naphthylenes and Tuning of Their Antiaromaticity.","Journal of the American Chemical Society","2017","139","44","15933","15939","10.1021/jacs.7b09222","","","0.7749","synchrotron","","0.0605","0.0467","","","0.1295","0.1414","","","","","","1.044","","","","has coordinates","241890","2020-10-21","18:00:00",""
"4131722","46.692","0.002","16.5713","0.0008","7.7012","0.0005","90","","93.04","0.003","90","","5950.4","0.5","100","2","100","2","","","","","","","","2","C 1 2/c 1","-C 2yc","15","","","","- C66 H56 -","- C66 H56 -","- C264 H224 -","4","0.5","","Jin, Zexin; Teo, Yew Chin; Teat, Simon J.; Xia, Yan","Regioselective Synthesis of [3]Naphthylenes and Tuning of Their Antiaromaticity.","Journal of the American Chemical Society","2017","139","44","15933","15939","10.1021/jacs.7b09222","","","0.7749","synchrotron","","0.0958","0.0758","","","0.2243","0.2519","","","","","","1.05","","","","has coordinates","241891","2020-10-21","18:00:00",""
"4131723","7.8079","0.0005","5.2899","0.0003","26.0814","0.0017","90","","98.358","0.002","90","","1065.8","0.11","100","2","100","2","","","","","","","","2","P 1 21/n 1","-P 2yn","14","","","","- C34 H24 -","- C34 H24 -","- C68 H48 -","2","0.5","","Jin, Zexin; Teo, Yew Chin; Teat, Simon J.; Xia, Yan","Regioselective Synthesis of [3]Naphthylenes and Tuning of Their Antiaromaticity.","Journal of the American Chemical Society","2017","139","44","15933","15939","10.1021/jacs.7b09222","","","0.7749","synchrotron","","0.0528","0.0461","","","0.1254","0.1284","","","","","","1.115","","","","has coordinates","241892","2020-10-21","18:00:00",""
"4131724","11.263","0.0006","11.6823","0.0004","20.3071","0.0007","90","","90","","90","","2671.96","0.19","150","2","150","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C24 H29 N O6 -","- C24 H29 N O6 -","- C96 H116 N4 O24 -","4","1","","Dhanjee, Heemal H.; Kobayashi, Yutaka; Buergler, Jonas F.; McMahon, Travis C.; Haley, Matthew W.; Howell, Jennifer M.; Fujiwara, Koichi; Wood, John L.","Total Syntheses of (+)- and (-)-Tetrapetalones A and C.","Journal of the American Chemical Society","2017","139","42","14901","14904","10.1021/jacs.7b09358","","","0.71073","MoKα","","0.0534","0.044","","","0.119","0.1234","","","","","","1.066","","","","has coordinates","241893","2020-10-21","18:00:00",""
"4131725","23.005","0.005","14.524","0.003","30.713","0.008","90","","92.742","0.009","90","","10250","4","150","2","150","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C105 H88 As3 Fe N4 O17 -","- C105 H88 As3 Fe N4 O17 -","- C420 H352 As12 Fe4 N16 O68 -","4","1","","Johnstone, Timothy C.; Nolan, Elizabeth M.","Determination of the Molecular Structures of Ferric Enterobactin and Ferric Enantioenterobactin Using Racemic Crystallography.","Journal of the American Chemical Society","2017","139","42","15245","15250","10.1021/jacs.7b09375","","","0.71073","MoKα","","0.1856","0.0974","","","0.2225","0.2675","","","","","","1.031","","","","has coordinates","241894","2020-10-21","18:00:00",""
"4131726","23.8409","0.0011","23.8409","0.0011","19.7162","0.001","90","","90","","90","","11206.5","0.9","100","2","100","2","","","","","","","","5","P 42/m m c","-P 4c 2","131","","","","- C84 H60 F6 O38 Th6 -","- C84 H60 F6 O38 Th6 -","- C168 H120 F12 O76 Th12 -","2","0.125","","Dolgopolova, Ekaterina A.; Ejegbavwo, Otega A.; Martin, Corey R.; Smith, Mark D.; Setyawan, Wahyu; Karakalos, Stavros G.; Henager, Charles H.; Zur Loye, Hans-Conrad; Shustova, Natalia B.","Multifaceted Modularity: A Key for Stepwise Building of Hierarchical Complexity in Actinide Metal-Organic Frameworks.","Journal of the American Chemical Society","2017","139","46","16852","16861","10.1021/jacs.7b09496","","x-ray","0.71073","MoKα","","0.0444","0.035","","","0.0942","0.1007","","","","","","1.048","","","","has coordinates","241895","2020-10-21","18:00:00",""
"4131727","23.9392","0.0011","23.9392","0.0011","15.6881","0.0008","90","","90","","90","","8990.6","0.7","100","2","100","2","","","","","","","","4","P 42/m m c","-P 4c 2","131","","","","- C84 H56 O32 Zr6 -","- C84 H56 O32 Zr6 -","- C168 H112 O64 Zr12 -","2","0.125","","Dolgopolova, Ekaterina A.; Ejegbavwo, Otega A.; Martin, Corey R.; Smith, Mark D.; Setyawan, Wahyu; Karakalos, Stavros G.; Henager, Charles H.; Zur Loye, Hans-Conrad; Shustova, Natalia B.","Multifaceted Modularity: A Key for Stepwise Building of Hierarchical Complexity in Actinide Metal-Organic Frameworks.","Journal of the American Chemical Society","2017","139","46","16852","16861","10.1021/jacs.7b09496","","x-ray","0.71073","MoKα","","0.131","0.1084","","","0.3373","0.3533","","","","","","1.398","","","","has coordinates","241896","2020-10-21","18:00:00",""
"4131728","24.1119","0.0014","24.1119","0.0014","19.0718","0.0011","90","","90","","90","","11088","1.1","100","2","100","2","","","","","","","","5","P 42/m m c","-P 4c 2","131","","","","- C71.57 H48 O54.18 Th6 U4.05 -","- C71.564 H48 O54.128 Th6 U4.044 -","- C143.128 H96 O108.256 Th12 U8.088 -","2","0.125","","Dolgopolova, Ekaterina A.; Ejegbavwo, Otega A.; Martin, Corey R.; Smith, Mark D.; Setyawan, Wahyu; Karakalos, Stavros G.; Henager, Charles H.; Zur Loye, Hans-Conrad; Shustova, Natalia B.","Multifaceted Modularity: A Key for Stepwise Building of Hierarchical Complexity in Actinide Metal-Organic Frameworks.","Journal of the American Chemical Society","2017","139","46","16852","16861","10.1021/jacs.7b09496","","x-ray","0.71073","MoKα","","0.1066","0.098","","","0.2063","0.2109","","","","","","1.217","","","","has coordinates,has disorder","241897","2020-10-21","18:00:00",""
"4131729","24.4443","0.0011","24.4443","0.0011","14.3985","0.0006","90","","90","","90","","8603.4","0.7","100","2","100","2","","","","","","","","4","P 42/m m c","-P 4c 2","131","","","","- C64 H48 O32 Zr6 -","- C64 H48 O32 Zr6 -","- C128 H96 O64 Zr12 -","2","0.125","","Dolgopolova, Ekaterina A.; Ejegbavwo, Otega A.; Martin, Corey R.; Smith, Mark D.; Setyawan, Wahyu; Karakalos, Stavros G.; Henager, Charles H.; Zur Loye, Hans-Conrad; Shustova, Natalia B.","Multifaceted Modularity: A Key for Stepwise Building of Hierarchical Complexity in Actinide Metal-Organic Frameworks.","Journal of the American Chemical Society","2017","139","46","16852","16861","10.1021/jacs.7b09496","","x-ray","0.71073","MoKα","","0.0797","0.053","","","0.1489","0.1615","","","","","","1.072","","","","has coordinates","241898","2020-10-21","18:00:00",""
"4131730","24.0528","0.0009","24.0528","0.0009","15.706","0.0007","90","","90","","90","","9086.5","0.6","100","2","100","2","","","","","","","","5","P 42/m m c","-P 4c 2","131","","","","- C64 H48 O40.08 U0.88 Zr6 -","- C64 H48 O40.208 U0.878 Zr6 -","- C128 H96 O80.416 U1.756 Zr12 -","2","0.125","","Dolgopolova, Ekaterina A.; Ejegbavwo, Otega A.; Martin, Corey R.; Smith, Mark D.; Setyawan, Wahyu; Karakalos, Stavros G.; Henager, Charles H.; Zur Loye, Hans-Conrad; Shustova, Natalia B.","Multifaceted Modularity: A Key for Stepwise Building of Hierarchical Complexity in Actinide Metal-Organic Frameworks.","Journal of the American Chemical Society","2017","139","46","16852","16861","10.1021/jacs.7b09496","","x-ray","0.71073","MoKα","","0.0869","0.0586","","","0.182","0.2046","","","","","","1.048","","","","has coordinates","241899","2020-10-21","18:00:00",""
"4131731","24.9768","0.0018","24.9768","0.0018","15.9864","0.0012","90","","90","","90","","9973","1.3","223","2","223","2","","","","","","","","5","P 42/m m c","-P 4c 2","131","","","","- C70 H62 N2 O34 U6 -","- C70 H62 N2 O34 U6 -","- C140 H124 N4 O68 U12 -","2","0.125","","Dolgopolova, Ekaterina A.; Ejegbavwo, Otega A.; Martin, Corey R.; Smith, Mark D.; Setyawan, Wahyu; Karakalos, Stavros G.; Henager, Charles H.; Zur Loye, Hans-Conrad; Shustova, Natalia B.","Multifaceted Modularity: A Key for Stepwise Building of Hierarchical Complexity in Actinide Metal-Organic Frameworks.","Journal of the American Chemical Society","2017","139","46","16852","16861","10.1021/jacs.7b09496","","x-ray","0.71073","MoKα","","0.0838","0.053","","","0.1298","0.1525","","","","","","1.022","","","","has coordinates","241900","2020-10-21","18:00:00",""
"4131732","34.0484","0.0016","34.0484","0.0016","34.0484","0.0016","90","","90","","90","","39472","3","302","2","302","2","","","","","","","","5","F m -3 m","-F 4 2 3","225","","","","- C120 H90 N6 O38 Th6 -","- C120 H90 N6 O38 Th6 -","- C480 H360 N24 O152 Th24 -","4","0.0208333","","Dolgopolova, Ekaterina A.; Ejegbavwo, Otega A.; Martin, Corey R.; Smith, Mark D.; Setyawan, Wahyu; Karakalos, Stavros G.; Henager, Charles H.; Zur Loye, Hans-Conrad; Shustova, Natalia B.","Multifaceted Modularity: A Key for Stepwise Building of Hierarchical Complexity in Actinide Metal-Organic Frameworks.","Journal of the American Chemical Society","2017","139","46","16852","16861","10.1021/jacs.7b09496","","x-ray","0.71073","MoKα","","0.0423","0.0352","","","0.0868","0.0891","","","","","","1.085","","","","has coordinates","241901","2020-10-21","18:00:00",""
"4131733","32.8216","0.001","32.8216","0.001","32.8216","0.001","90","","90","","90","","35357.3","1.9","223","2","223","2","","","","","","","","4","F m -3 m","-F 4 2 3","225","","","","- C120 H72 O32 Zr6 -","- C120 H72 O32 Zr6 -","- C480 H288 O128 Zr24 -","4","0.0208333","","Dolgopolova, Ekaterina A.; Ejegbavwo, Otega A.; Martin, Corey R.; Smith, Mark D.; Setyawan, Wahyu; Karakalos, Stavros G.; Henager, Charles H.; Zur Loye, Hans-Conrad; Shustova, Natalia B.","Multifaceted Modularity: A Key for Stepwise Building of Hierarchical Complexity in Actinide Metal-Organic Frameworks.","Journal of the American Chemical Society","2017","139","46","16852","16861","10.1021/jacs.7b09496","","x-ray","0.71073","MoKα","","0.069","0.0593","","","0.1679","0.1785","","","","","","1.099","","","","has coordinates","241902","2020-10-21","18:00:00",""
"4131734","24.8785","0.0008","24.8785","0.0008","17.5034","0.0006","90","","90","","90","","10833.6","0.6","223","2","223","2","","","","","","","","4","P 42/m m c","-P 4c 2","131","","","","- C64 H48 O34 Th6 -","- C64 H48 O34 Th6 -","- C128 H96 O68 Th12 -","2","0.125","","Dolgopolova, Ekaterina A.; Ejegbavwo, Otega A.; Martin, Corey R.; Smith, Mark D.; Setyawan, Wahyu; Karakalos, Stavros G.; Henager, Charles H.; Zur Loye, Hans-Conrad; Shustova, Natalia B.","Multifaceted Modularity: A Key for Stepwise Building of Hierarchical Complexity in Actinide Metal-Organic Frameworks.","Journal of the American Chemical Society","2017","139","46","16852","16861","10.1021/jacs.7b09496","","x-ray","0.71073","MoKα","","0.0514","0.0335","","","0.0872","0.0955","","","","","","1.037","","","","has coordinates","241903","2020-10-21","18:00:00",""
"4131735","11.5248","0.001","11.5614","0.001","16.683","0.002","100.5","0.001","98.71","0.001","114.73","0.001","1919.6","0.3","173","2","173","2","","","","","","","","4","P -1","-P 1","2","","tris(tris(dimethylsilyl)methyl)lanthanum","","- C21 H63 La Si9 -","- C21 H63 La Si9 -","- C42 H126 La2 Si18 -","2","1","","Pindwal, Aradhana; Yan, KaKing; Patnaik, Smita; Schmidt, Bradley M.; Ellern, Arkady; Slowing, Igor I.; Bae, Cheolbeom; Sadow, Aaron D.","Homoleptic Trivalent Tris(alkyl) Rare Earth Compounds.","Journal of the American Chemical Society","2017","139","46","16862","16874","10.1021/jacs.7b09521","","","0.71073","MoKα","","0.027","0.0222","","","0.0581","0.0628","","","","","","0.693","","","","has coordinates","241904","2020-10-21","18:00:00",""
"4131736","11.4598","0.0006","11.4911","0.0006","16.6786","0.0009","100.275","0.0008","98.368","0.0007","114.643","0.0007","1903.98","0.18","173","2","173","2","","","","","","","","4","P -1","-P 1","2","","","","- C21 H63 Pr Si9 -","- C21 H63 Pr Si9 -","- C42 H126 Pr2 Si18 -","2","1","","Pindwal, Aradhana; Yan, KaKing; Patnaik, Smita; Schmidt, Bradley M.; Ellern, Arkady; Slowing, Igor I.; Bae, Cheolbeom; Sadow, Aaron D.","Homoleptic Trivalent Tris(alkyl) Rare Earth Compounds.","Journal of the American Chemical Society","2017","139","46","16862","16874","10.1021/jacs.7b09521","","","0.71073","MoKα","","0.0304","0.0248","","","0.0624","0.0684","","","","","","0.72","","","","has coordinates","241905","2020-10-21","18:00:00",""
"4131737","9.4802","0.001","11.7428","0.0013","20.872","0.002","96.46","0.0017","97.125","0.0017","112.569","0.0015","2096.3","0.4","173","2","173","2","","","","","","","","4","P -1","-P 1","2","","","","- C24 H66 Nd Si9 -","- C24 H66 Nd Si9 -","- C48 H132 Nd2 Si18 -","2","1","","Pindwal, Aradhana; Yan, KaKing; Patnaik, Smita; Schmidt, Bradley M.; Ellern, Arkady; Slowing, Igor I.; Bae, Cheolbeom; Sadow, Aaron D.","Homoleptic Trivalent Tris(alkyl) Rare Earth Compounds.","Journal of the American Chemical Society","2017","139","46","16862","16874","10.1021/jacs.7b09521","","","0.71073","MoKα","","0.0389","0.0299","","","0.0617","0.0665","","","","","","1.032","","","","has coordinates","241906","2020-10-21","18:00:00",""
"4131738","11.5041","0.001","11.5417","0.001","16.7043","0.0015","100.352","0.0015","98.519","0.0015","114.706","0.0014","1919.3","0.3","173","2","173","2","","","","","","","","4","P -1","-P 1","2","","tris(tris(dimethylsilyl)methyl)cerium","","- C21 H63 Ce Si9 -","- C21 H63 Ce Si9 -","- C42 H126 Ce2 Si18 -","2","1","","Pindwal, Aradhana; Yan, KaKing; Patnaik, Smita; Schmidt, Bradley M.; Ellern, Arkady; Slowing, Igor I.; Bae, Cheolbeom; Sadow, Aaron D.","Homoleptic Trivalent Tris(alkyl) Rare Earth Compounds.","Journal of the American Chemical Society","2017","139","46","16862","16874","10.1021/jacs.7b09521","","","0.71073","MoKα","","0.0419","0.0304","","","0.0744","0.0829","","","","","","0.786","","","","has coordinates","241907","2020-10-21","18:00:00",""
"4131739","11.9911","0.0009","8.7896","0.0006","12.6256","0.0012","90","","100.063","0.008","90","","1310.23","0.19","169.9","","169.9","","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C27 H30 Br2 Co N4 -","- C27 H30 Br2 Co N4 -","- C54 H60 Br4 Co2 N8 -","2","1","","Guo, Jun; Cheng, Biao; Shen, Xuzhong; Lu, Zhan","Cobalt-Catalyzed Asymmetric Sequential Hydroboration/Hydrogenation of Internal Alkynes.","Journal of the American Chemical Society","2017","139","43","15316","15319","10.1021/jacs.7b09832","","","0.71073","MoKα","","0.0721","0.0593","","","0.1322","0.1449","","","","","","1.039","","","","has coordinates","241908","2020-10-21","18:00:00",""
"4131740","10.5943","0.0005","16.009","0.0006","21.0879","0.0011","90","","90.706","0.004","90","","3576.3","0.3","183.1","","183.1","","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C38 H46 Cl2 Co N4 -","- C38 H46 Cl2 Co N4 -","- C152 H184 Cl8 Co4 N16 -","4","2","","Guo, Jun; Cheng, Biao; Shen, Xuzhong; Lu, Zhan","Cobalt-Catalyzed Asymmetric Sequential Hydroboration/Hydrogenation of Internal Alkynes.","Journal of the American Chemical Society","2017","139","43","15316","15319","10.1021/jacs.7b09832","","","0.7107","MoKα","","0.0943","0.054","","","0.0808","0.0972","","","","","","0.993","","","","has coordinates","241909","2020-10-21","18:00:00",""
"4131741","8.5539","0.0006","7.6851","0.0005","10.5736","0.0007","90","","113.779","0.004","90","","636.08","0.08","93","2","93","2","","","","","","","","3","P 1 21 1","P 2yb","4","","","","- C14 H20 O3 -","- C14 H20 O3 -","- C28 H40 O6 -","2","1","","Zeng, Mingshuo; Murphy, Stephen K.; Herzon, Seth B.","Development of a Modular Synthetic Route to (+)-Pleuromutilin, (+)-12-epi-Mutilins, and Related Structures.","Journal of the American Chemical Society","2017","139","45","16377","16388","10.1021/jacs.7b09869","","","1.54178","CuKα","","0.0274","0.0272","","","0.0716","0.0717","","","","","","1.084","","","","has coordinates","241910","2020-10-21","18:00:00",""
"4131742","8.7851","0.0006","7.3139","0.0005","10.2839","0.0007","90","","90.77","0.004","90","","660.72","0.08","93","2","93","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C14 H19 N O3 -","- C14 H19 N O3 -","- C28 H38 N2 O6 -","2","1","","Zeng, Mingshuo; Murphy, Stephen K.; Herzon, Seth B.","Development of a Modular Synthetic Route to (+)-Pleuromutilin, (+)-12-epi-Mutilins, and Related Structures.","Journal of the American Chemical Society","2017","139","45","16377","16388","10.1021/jacs.7b09869","","","1.54178","CuKα","","0.0283","0.0268","","","0.0686","0.0694","","","","","","1.081","","","","has coordinates","241911","2020-10-21","18:00:00",""
"4131743","7.557","0.0005","11.6693","0.0008","21.4501","0.0015","90","","90","","90","","1891.6","0.2","93","2","93","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C22 H32 O4 -","- C22 H32 O4 -","- C88 H128 O16 -","4","1","","Zeng, Mingshuo; Murphy, Stephen K.; Herzon, Seth B.","Development of a Modular Synthetic Route to (+)-Pleuromutilin, (+)-12-epi-Mutilins, and Related Structures.","Journal of the American Chemical Society","2017","139","45","16377","16388","10.1021/jacs.7b09869","","","1.54178","CuKα","","0.0245","0.024","","","0.0606","0.0609","","","","","","1.053","","","","has coordinates","241912","2020-10-21","18:00:00",""
"4131744","17.4551","0.0002","25.0058","0.0003","33.3734","0.0003","90","","90","","90","","14566.8","0.3","93","2","93","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C26 H42 O3 Si -","- C26 H42 O3 Si -","- C624 H1008 O72 Si24 -","24","6","","Zeng, Mingshuo; Murphy, Stephen K.; Herzon, Seth B.","Development of a Modular Synthetic Route to (+)-Pleuromutilin, (+)-12-epi-Mutilins, and Related Structures.","Journal of the American Chemical Society","2017","139","45","16377","16388","10.1021/jacs.7b09869","","","1.54184","CuKα","","0.0389","0.0364","","","0.0894","0.0912","","","","","","1.016","","","","has coordinates,has disorder","241913","2020-10-21","18:00:00",""
"4131745","12.1338","0.0002","17.6931","0.0004","18.5004","0.0004","90","","103.389","0.002","90","","3863.8","0.14","100","2","100","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C30 H44 F12 Mo O6 Si -","- C30 H44 F12 Mo O6 Si -","- C120 H176 F48 Mo4 O24 Si4 -","4","1","","Estes, Deven P.; Gordon, Christopher P.; Fedorov, Alexey; Liao, Wei-Chih; Ehrhorn, Henrike; Bittner, Celine; Zier, Manuel Luca; Bockfeld, Dirk; Chan, Ka Wing; Eisenstein, Odile; Raynaud, Christophe; Tamm, Matthias; Copéret, Christophe","Molecular and Silica-Supported Molybdenum Alkyne Metathesis Catalysts: Influence of Electronics and Dynamics on Activity Revealed by Kinetics, Solid-State NMR, and Chemical Shift Analysis.","Journal of the American Chemical Society","2017","139","48","17597","17607","10.1021/jacs.7b09934","","","1.54184","CuKα","","0.0434","0.0354","","","0.0817","0.0854","","","","","","1.044","","","","has coordinates","241914","2020-10-21","18:00:00",""
"4131746","14.2097","0.0006","16.6236","0.0008","11.1509","0.0006","90","","90","","90","","2634","0.2","100","2","100","2","","","","","","","","5","P n m a","-P 2ac 2n","62","","","","- C18 H9 F27 Mo O3 -","- C18 H9 F27 Mo O3 -","- C72 H36 F108 Mo4 O12 -","4","0.5","","Estes, Deven P.; Gordon, Christopher P.; Fedorov, Alexey; Liao, Wei-Chih; Ehrhorn, Henrike; Bittner, Celine; Zier, Manuel Luca; Bockfeld, Dirk; Chan, Ka Wing; Eisenstein, Odile; Raynaud, Christophe; Tamm, Matthias; Copéret, Christophe","Molecular and Silica-Supported Molybdenum Alkyne Metathesis Catalysts: Influence of Electronics and Dynamics on Activity Revealed by Kinetics, Solid-State NMR, and Chemical Shift Analysis.","Journal of the American Chemical Society","2017","139","48","17597","17607","10.1021/jacs.7b09934","","","1.54184","CuKα","","0.0328","0.0298","","","0.0792","0.0827","","","","","","1.036","","","","has coordinates,has disorder","241914","2020-10-21","18:00:00",""
"4131747","9.9392","0.0002","10.796","0.0002","32.3003","0.0004","90","","96.08","0.001","90","","3446.44","0.1","80","1","80","1","","","","","","","","4","I 1 2/a 1","-I 2ya","15","","","","- C22 H23 N O2 -","- C22 H23 N O2 -","- C176 H184 N8 O16 -","8","1","","Liu, Qi-Sheng; Wang, De-Yin; Yang, Zhi-Jun; Luan, Yu-Xin; Yang, Jin-Fei; Li, Jiang-Fei; Pu, You-Ge; Ye, Mengchun","Ni-Al Bimetallic Catalyzed Enantioselective Cycloaddition of Cyclopropyl Carboxamide with Alkyne.","Journal of the American Chemical Society","2017","139","50","18150","18153","10.1021/jacs.7b09947","","x-ray","1.54184","CuKα","","0.0384","0.0365","","","0.0934","0.0945","","","","","","1.074","","","","has coordinates,has disorder","241915","2020-10-21","18:00:00",""
"4131748","7.7335","0.0001","14.1534","0.0002","14.5834","0.0002","77.005","0.001","87.584","0.001","89.69","0.001","1553.95","0.04","291","2","291","2","","","","","","","","3","P 1","P 1","1","","","","- C36 H54 O -","- C36 H54 O -","- C72 H108 O2 -","2","2","","Wang, Guang-Zu; Shang, Rui; Cheng, Wan-Min; Fu, Yao","Irradiation-Induced Heck Reaction of Unactivated Alkyl Halides at Room Temperature.","Journal of the American Chemical Society","2017","139","50","18307","18312","10.1021/jacs.7b10009","","","1.54184","CuKα","","0.055","0.0517","","","0.1471","0.1517","","","","","","1.061","","","","has coordinates","241916","2020-10-21","18:00:00",""
"4131749","8.1835","0.0006","14.6901","0.001","11.1371","0.0008","90","","90.394","0.004","90","","1338.83","0.16","100","","100","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C14 H17 Cl N2 -","- C14 H17 Cl N2 -","- C56 H68 Cl4 N8 -","4","1","","Tay, Nicholas E. S.; Nicewicz, David A.","Cation Radical Accelerated Nucleophilic Aromatic Substitution via Organic Photoredox Catalysis.","Journal of the American Chemical Society","2017","139","45","16100","16104","10.1021/jacs.7b10076","","","1.54178","CuKα","","0.0368","0.0332","","","0.0873","0.0903","","","","","","1.039","","","","has coordinates","241917","2020-10-21","18:00:00",""
"4131753","29.65","0.0018","17.669","0.0012","31.499","0.002","90","","105.974","0.002","90","","15864.7","1.8","153","2","153","2","","","","","","","","7","C 1 2/c 1","-C 2yc","15","","","","- C174 H222 B6 Fe K N6 O12 -","- C174 H222 B6 Fe K N6 O12 -","- C696 H888 B24 Fe4 K4 N24 O48 -","4","0.5","","Wang, Lei; Li, Jing; Zhang, Li; Fang, Yong; Chen, Chao; Zhao, Yue; Song, You; Deng, Liang; Tan, Gengwen; Wang, Xinping; Power, Philip P.","Isolable Borane-Based Diradical and Triradical Fused by a Diamagnetic Transition Metal Ion.","Journal of the American Chemical Society","2017","139","49","17723","17726","10.1021/jacs.7b10141","","","0.71073","MoKα","","0.0721","0.0626","","","0.1731","0.1844","","","","","","1.03","","","","has coordinates,has disorder","241921","2020-10-21","18:00:00",""
"4131754","14.0035","0.0012","17.0728","0.0014","28.873","0.002","82.992","0.002","82.381","0.003","73.241","0.003","6525.8","0.9","153","2","153","2","","","","","","","","5","P -1","-P 1","2","","","","- C138 H150 B6 Fe N6 -","- C138 H150 B6 Fe N6 -","- C276 H300 B12 Fe2 N12 -","2","1","","Wang, Lei; Li, Jing; Zhang, Li; Fang, Yong; Chen, Chao; Zhao, Yue; Song, You; Deng, Liang; Tan, Gengwen; Wang, Xinping; Power, Philip P.","Isolable Borane-Based Diradical and Triradical Fused by a Diamagnetic Transition Metal Ion.","Journal of the American Chemical Society","2017","139","49","17723","17726","10.1021/jacs.7b10141","","","0.71073","MoKα","","0.1432","0.0771","","","0.1897","0.2228","","","","","","1.021","","","","has coordinates,has disorder","241922","2020-10-21","18:00:00",""
"4131755","8.5432","0.001","17.447","0.002","13.1073","0.0015","90","","96.302","0.003","90","","1941.9","0.4","293","2","293","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","TriPO-PN","","","- C21 H16 F6 N O P -","- C21 H16 F6 N O P -","- C84 H64 F24 N4 O4 P4 -","4","1","","Wang, Jianguo; Gu, Xinggui; Zhang, Pengfei; Huang, Xiaobo; Zheng, Xiaoyan; Chen, Ming; Feng, Haitao; Kwok, Ryan T. K.; Lam, Jacky W. Y.; Tang, Ben Zhong","Ionization and Anion-π<sup>+</sup> Interaction: A New Strategy for Structural Design of Aggregation-Induced Emission Luminogens.","Journal of the American Chemical Society","2017","139","46","16974","16979","10.1021/jacs.7b10150","","","0.71073","MoKα","","0.0865","0.0657","","","0.1634","0.1774","","","","","","1.054","","","","has coordinates","241923","2020-10-21","18:00:00",""
"4131756","7.6381","0.0008","19.931","0.002","20.56","0.002","90","","90","","90","","3130","0.5","293","2","293","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","TriPO-C","","","- C21 H15 N O -","- C21 H15 N O -","- C168 H120 N8 O8 -","8","1","","Wang, Jianguo; Gu, Xinggui; Zhang, Pengfei; Huang, Xiaobo; Zheng, Xiaoyan; Chen, Ming; Feng, Haitao; Kwok, Ryan T. K.; Lam, Jacky W. Y.; Tang, Ben Zhong","Ionization and Anion-π<sup>+</sup> Interaction: A New Strategy for Structural Design of Aggregation-Induced Emission Luminogens.","Journal of the American Chemical Society","2017","139","46","16974","16979","10.1021/jacs.7b10150","","","0.71073","MoKα","","0.0935","0.0649","","","0.1289","0.1411","","","","","","1.099","","","","has coordinates","241924","2020-10-21","18:00:00",""
"4131757","22.2348","0.0015","12.2611","0.0007","15.1377","0.0009","90","","90","","90","","4126.9","0.4","100","2","99.98","","","","","","","","","9","P 21 21 21","P 2ac 2ab","19","","","","- C37 H56 F3 N2 O3 Os P3 S Si -","- C37 H56 F3 N2 O3 Os P3 S Si -","- C148 H224 F12 N8 O12 Os4 P12 S4 Si4 -","4","1","","Fajardo, Jr, Javier; Peters, Jonas C.","Catalytic Nitrogen-to-Ammonia Conversion by Osmium and Ruthenium Complexes.","Journal of the American Chemical Society","2017","139","45","16105","16108","10.1021/jacs.7b10204","","","0.71073","MoKα","","0.0367","0.0291","","","0.0479","0.0497","","","","","","0.998","","","","has coordinates","241925","2020-10-21","18:00:00",""
"4131758","11.1667","0.0018","11.2875","0.0018","16.677","0.003","100.081","0.006","94.097","0.006","118.576","0.005","1788","0.5","100","2","100.06","","","","","","","","","5","P -1","-P 1","2","","","","- C36 H54 Os P3 Si -","- C36 H54 Os P3 Si -","- C72 H108 Os2 P6 Si2 -","2","1","","Fajardo, Jr, Javier; Peters, Jonas C.","Catalytic Nitrogen-to-Ammonia Conversion by Osmium and Ruthenium Complexes.","Journal of the American Chemical Society","2017","139","45","16105","16108","10.1021/jacs.7b10204","","","0.71073","MoKα","","0.0247","0.0205","","","0.0483","0.0499","","","","","","1.068","","","","has coordinates","241926","2020-10-21","18:00:00",""
"4131759","7.2463","0.0005","9.548","0.0007","11.2269","0.0008","72.6","0.0018","72.9177","0.0019","86.0255","0.0018","708.37","0.09","100","2","100.15","","","","","","","","","4","P -1","-P 1","2","","","","- C16 H15 N3 O4 -","- C16 H15 N3 O4 -","- C32 H30 N6 O8 -","2","1","","Hernandez, Lucas W.; Pospech, Jola; Klöckner, Ulrich; Bingham, Tanner W.; Sarlah, David","Synthesis of (+)-Pancratistatins via Catalytic Desymmetrization of Benzene.","Journal of the American Chemical Society","2017","139","44","15656","15659","10.1021/jacs.7b10351","","x-ray","0.71073","MoKα","","0.0334","0.0304","","","0.0747","0.077","","","","","","1.048","","","","has coordinates","241927","2020-10-21","18:00:00",""
"4131760","52.0957","0.0008","52.0957","0.0008","52.0957","0.0008","90","","90","","90","","141386","4","100","0.1","100","0.1","","","","","","","","5","I 2 3","I 2 2 3","197","","","","- C468 Ag78 F126 P12 S42 -","- C468 Ag78 F126 P12 S42 -","- C3744 Ag624 F1008 P96 S336 -","8","0.333333","","Yang, Huayan; Yan, Juanzhu; Wang, Yu; Deng, Guocheng; Su, Haifeng; Zhao, Xiaojing; Xu, Chaofa; Teo, Boon K.; Zheng, Nanfeng","From Racemic Metal Nanoparticles to Optically Pure Enantiomers in One Pot.","Journal of the American Chemical Society","2017","139","45","16113","16116","10.1021/jacs.7b10448","","x-ray","1.54184","CuKα","","0.1594","0.1029","","","0.2785","0.3434","","","","","","1.01","","","","has coordinates","241928","2020-10-21","18:00:00",""
"4131761","43.0185","0.001","48.2191","0.0013","30.0392","0.0007","90","","90","","90","","62311","3","173.01","0.1","173.01","0.1","","","","","","","","6","C c c 2","C 2 -2c","37","","","","- C456 H320 Ag78 F126 P12 S42 -","- C456 H320 Ag78 F126 P12 S42 -","- C1824 H1280 Ag312 F504 P48 S168 -","4","0.5","","Yang, Huayan; Yan, Juanzhu; Wang, Yu; Deng, Guocheng; Su, Haifeng; Zhao, Xiaojing; Xu, Chaofa; Teo, Boon K.; Zheng, Nanfeng","From Racemic Metal Nanoparticles to Optically Pure Enantiomers in One Pot.","Journal of the American Chemical Society","2017","139","45","16113","16116","10.1021/jacs.7b10448","","","1.54184","CuKα","","0.0943","0.0716","","","0.1949","0.2112","","","","","","1.058","","","","has coordinates","241929","2020-10-21","18:00:00",""
"4131762","51.7906","0.0004","51.7906","0.0004","51.7906","0.0004","90","","90","","90","","138916","1.9","119.99","0.1","119.99","0.1","","","","","","","","6","I 2 3","I 2 2 3","197","","","","- C468 H348 Ag78 F126 P12 S42 -","- C468 H348 Ag78 F126 P12 S42 -","- C3744 H2784 Ag624 F1008 P96 S336 -","8","0.333333","","Yang, Huayan; Yan, Juanzhu; Wang, Yu; Deng, Guocheng; Su, Haifeng; Zhao, Xiaojing; Xu, Chaofa; Teo, Boon K.; Zheng, Nanfeng","From Racemic Metal Nanoparticles to Optically Pure Enantiomers in One Pot.","Journal of the American Chemical Society","2017","139","45","16113","16116","10.1021/jacs.7b10448","","x-ray","1.54184","CuKα","","0.0902","0.0615","","","0.1749","0.2142","","","","","","0.914","","","","has coordinates","241930","2020-10-21","18:00:00",""
"4131763","9.914","0.01","16.332","0.014","6.869","0.003","90","","95.66","0.03","90","","1106.8","1.5","293","2","293","2","","","","","","","","5","C 1 c 1","C -2yc","9","","","","- C4 H11 Br4 Mn N -","- C4 H11 Br4 Mn N -","- C16 H44 Br16 Mn4 N4 -","4","1","","Liao, Wei-Qiang; Tang, Yuan-Yuan; Li, Peng-Fei; You, Yu-Meng; Xiong, Ren-Gen","Large Piezoelectric Effect in a Lead-Free Molecular Ferroelectric Thin Film.","Journal of the American Chemical Society","2017","139","49","18071","18077","10.1021/jacs.7b10449","","","0.71073","MoKα","","0.0733","0.052","","","0.0774","0.0843","","","","","","0.859","","","","has coordinates","241931","2020-10-21","18:00:00",""
"4131764","10.031","0.019","10.031","0.019","6.977","0.019","90","","90","","120","","608","2","433","2","433","2","","","","","","","","5","P 63/m m c","-P 6c 2c","194","","","","- C0.21 H0.58 Br0.21 Mn0.05 N0.05 -","- C0.210442 H0.552411 Br0.210505 Mn0.0526316 N0.0526105 -","- C7.9968 H20.9916 Br7.9992 Mn2 N1.9992 -","38","1.58333","","Liao, Wei-Qiang; Tang, Yuan-Yuan; Li, Peng-Fei; You, Yu-Meng; Xiong, Ren-Gen","Large Piezoelectric Effect in a Lead-Free Molecular Ferroelectric Thin Film.","Journal of the American Chemical Society","2017","139","49","18071","18077","10.1021/jacs.7b10449","","","0.71073","MoKα","","0.1973","0.1791","","","0.3923","0.4054","","","","","","1.41","","","","has coordinates,has disorder","241932","2020-10-21","18:00:00",""
"4131765","18.2632","0.0003","17.7081","0.0003","21.6183","0.0003","90","","100.067","0.0013","90","","6883.85","0.19","120","0.1","120","0.1","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C62 H106 Bi2 N4 O2 S Si4 -","- C62 H106 Bi2 N4 O2 S Si4 -","- C248 H424 Bi8 N16 O8 S4 Si16 -","4","1","","Schwamm, Ryan J.; Lein, Matthias; Coles, Martyn P.; Fitchett, Christopher M.","Bismuth(III) Complex of the [S<sub>4</sub>]<sup>•-</sup> Radical Anion: Dimer Formation via Pancake Bonds.","Journal of the American Chemical Society","2017","139","46","16490","16493","10.1021/jacs.7b10454","","x-ray","0.71073","MoKα","","0.0467","0.0287","","","0.0561","0.0631","","","","","","1.039","","","","has coordinates,has disorder","241933","2020-10-21","18:00:00",""
"4131766","12.2335","0.0002","16.5506","0.0002","18.8461","0.0002","91.8495","0.0011","90.7584","0.0013","105.556","0.0015","3673.15","0.09","120","0.1","120","0.1","","","","","","","","7","P -1","-P 1","2","","","","- C62 H106 Bi2 N4 O2 S5 Si4 -","- C56 H92 Bi2 N4 O2 S5 Si4 -","- C112 H184 Bi4 N8 O4 S10 Si8 -","2","1","","Schwamm, Ryan J.; Lein, Matthias; Coles, Martyn P.; Fitchett, Christopher M.","Bismuth(III) Complex of the [S<sub>4</sub>]<sup>•-</sup> Radical Anion: Dimer Formation via Pancake Bonds.","Journal of the American Chemical Society","2017","139","46","16490","16493","10.1021/jacs.7b10454","","x-ray","1.54184","CuKα","","0.0343","0.0327","","","0.0735","0.0742","","","","","","1.112","","","","has coordinates,has disorder","241933","2020-10-21","18:00:00",""
"4131767","8.2256","0.0003","13.5394","0.0005","18.0192","0.0006","101.127","0.003","91.135","0.003","101.759","0.003","1924.09","0.12","120.01","0.1","120.01","0.1","","","","","","","","7","P -1","-P 1","2","","","","- C24 H60 Bi2 N4 O2 S Si4 -","- C24 H60 Bi2 N4 O2 S Si4 -","- C48 H120 Bi4 N8 O4 S2 Si8 -","2","1","","Schwamm, Ryan J.; Lein, Matthias; Coles, Martyn P.; Fitchett, Christopher M.","Bismuth(III) Complex of the [S<sub>4</sub>]<sup>•-</sup> Radical Anion: Dimer Formation via Pancake Bonds.","Journal of the American Chemical Society","2017","139","46","16490","16493","10.1021/jacs.7b10454","","x-ray","0.71073","MoKα","","0.0454","0.0334","","","0.0595","0.0647","","","","","","1.007","","","","has coordinates","241933","2020-10-21","18:00:00",""
"4131768","13.4362","0.0005","10.8026","0.0004","28.5609","0.0008","90","","92.026","0.003","90","","4142.9","0.2","120","0.1","120","0.1","","","","","","","","7","I 1 2/a 1","-I 2ya","15","","","","- C24 H60 Bi2 N4 O2 S3 Si4 -","- C24 H60 Bi2 N4 O2 S3 Si4 -","- C96 H240 Bi8 N16 O8 S12 Si16 -","4","0.5","","Schwamm, Ryan J.; Lein, Matthias; Coles, Martyn P.; Fitchett, Christopher M.","Bismuth(III) Complex of the [S<sub>4</sub>]<sup>•-</sup> Radical Anion: Dimer Formation via Pancake Bonds.","Journal of the American Chemical Society","2017","139","46","16490","16493","10.1021/jacs.7b10454","","x-ray","0.71073","MoKα","","0.0639","0.0498","","","0.1204","0.128","","","","","","1.081","","","","has coordinates","241933","2020-10-21","18:00:00",""
"4131769","15.7886","0.0003","12.3313","0.0002","18.8823","0.0003","90","","106.214","0.0016","90","","3530.05","0.11","120.01","0.1","120.01","0.1","","","","","","","","5","P 1 2/n 1","-P 2yac","13","","","","- C84 H96 N2 O3 Si2 -","- C84 H96 N2 O3 Si2 -","- C168 H192 N4 O6 Si4 -","2","0.5","","Schwamm, Ryan J.; Lein, Matthias; Coles, Martyn P.; Fitchett, Christopher M.","Bismuth(III) Complex of the [S<sub>4</sub>]<sup>•-</sup> Radical Anion: Dimer Formation via Pancake Bonds.","Journal of the American Chemical Society","2017","139","46","16490","16493","10.1021/jacs.7b10454","","x-ray","1.54184","CuKα","","0.0516","0.0467","","","0.1143","0.1185","","","","","","1.056","","","","has coordinates","241933","2020-10-21","18:00:00",""
"4131770","23.9315","0.0005","19.534","0.0004","18.5814","0.0003","90","","93.4128","0.0018","90","","8671","0.3","169.99","0.1","169.99","0.1","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C48 H59 Li N O3 Si -","- C48 H59 Li N O3 Si -","- C384 H472 Li8 N8 O24 Si8 -","8","1","","Schwamm, Ryan J.; Lein, Matthias; Coles, Martyn P.; Fitchett, Christopher M.","Bismuth(III) Complex of the [S<sub>4</sub>]<sup>•-</sup> Radical Anion: Dimer Formation via Pancake Bonds.","Journal of the American Chemical Society","2017","139","46","16490","16493","10.1021/jacs.7b10454","","x-ray","1.54184","CuKα","","0.0738","0.0641","","","0.1753","0.1858","","","","","","1.035","","","","has coordinates","241933","2020-10-21","18:00:00",""
"4131771","18.0673","0.0003","19.7078","0.0003","24.446","0.0004","90","","90","","90","","8704.4","0.2","120","0.1","120","0.1","","","","","","","","7","P 21 21 21","P 2ac 2ab","19","","","","- C104 H110 Bi Cl N2 O Si2 -","- C104 H110 Bi Cl N2 O Si2 -","- C416 H440 Bi4 Cl4 N8 O4 Si8 -","4","1","","Schwamm, Ryan J.; Lein, Matthias; Coles, Martyn P.; Fitchett, Christopher M.","Bismuth(III) Complex of the [S<sub>4</sub>]<sup>•-</sup> Radical Anion: Dimer Formation via Pancake Bonds.","Journal of the American Chemical Society","2017","139","46","16490","16493","10.1021/jacs.7b10454","","x-ray","0.71073","MoKα","","0.0307","0.026","","","0.0527","0.0547","","","","","","1.036","","","","has coordinates","241933","2020-10-21","18:00:00",""
"4131772","24.5463","0.0006","11.1899","0.0003","23.9777","0.0007","90","","101.928","0.003","90","","6443.8","0.3","120.01","0.1","120.01","0.1","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C76 H78 Bi N2 O Si2 -","- C76 H78 Bi N2 O Si2 -","- C304 H312 Bi4 N8 O4 Si8 -","4","0.5","","Schwamm, Ryan J.; Lein, Matthias; Coles, Martyn P.; Fitchett, Christopher M.","Bismuth(III) Complex of the [S<sub>4</sub>]<sup>•-</sup> Radical Anion: Dimer Formation via Pancake Bonds.","Journal of the American Chemical Society","2017","139","46","16490","16493","10.1021/jacs.7b10454","","x-ray","0.71073","MoKα","","0.0328","0.0271","","","0.0526","0.0549","","","","","","1.059","","","","has coordinates","241933","2020-10-21","18:00:00",""
"4131773","12.7552","0.0005","24.9034","0.0007","24.5987","0.0007","90","","103.143","0.004","90","","7609","0.4","120.01","0.1","120.01","0.1","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C84 H98 Bi N2 O3 Si2 -","- C76 H78 Bi N2 O Si2 -","- C304 H312 Bi4 N8 O4 Si8 -","4","1","","Schwamm, Ryan J.; Lein, Matthias; Coles, Martyn P.; Fitchett, Christopher M.","Bismuth(III) Complex of the [S<sub>4</sub>]<sup>•-</sup> Radical Anion: Dimer Formation via Pancake Bonds.","Journal of the American Chemical Society","2017","139","46","16490","16493","10.1021/jacs.7b10454","","x-ray","1.54184","CuKα","","0.0757","0.07","","","0.1732","0.1769","","","","","","1.044","","","","has coordinates","241933","2020-10-21","18:00:00",""
"4131774","13.8994","0.0003","14.53","0.0002","21.2083","0.0003","108.747","0.0014","92.051","0.0016","108.855","0.0017","3791.42","0.13","120.01","0.1","120.01","0.1","","","","","","","","5","P -1","-P 1","2","","","","- C89 H100 N2 O Si2 -","- C89 H100 N2 O Si2 -","- C178 H200 N4 O2 Si4 -","2","1","","Schwamm, Ryan J.; Lein, Matthias; Coles, Martyn P.; Fitchett, Christopher M.","Bismuth(III) Complex of the [S<sub>4</sub>]<sup>•-</sup> Radical Anion: Dimer Formation via Pancake Bonds.","Journal of the American Chemical Society","2017","139","46","16490","16493","10.1021/jacs.7b10454","","x-ray","1.54184","CuKα","","0.049","0.0439","","","0.1226","0.1266","","","","","","1.054","","","","has coordinates,has disorder","241933","2020-10-21","18:00:00",""
"4131775","10.51169","0.00015","31.3488","0.0005","20.941","0.0003","90","","90.9327","0.0013","90","","6899.75","0.18","120","0.1","120","0.1","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C82 H90 N2 O Pb Si2 -","- C82 H90 N2 O Pb Si2 -","- C328 H360 N8 O4 Pb4 Si8 -","4","1","","Schwamm, Ryan J.; Lein, Matthias; Coles, Martyn P.; Fitchett, Christopher M.","Bismuth(III) Complex of the [S<sub>4</sub>]<sup>•-</sup> Radical Anion: Dimer Formation via Pancake Bonds.","Journal of the American Chemical Society","2017","139","46","16490","16493","10.1021/jacs.7b10454","","x-ray","0.71073","MoKα","","0.0538","0.0378","","","0.0713","0.0765","","","","","","1.091","","","","has coordinates","241933","2020-10-21","18:00:00",""
"4131776","9.9952","0.0002","18.9141","0.0004","20.7293","0.0004","103.009","0.0019","97.9369","0.0018","99.1671","0.0019","3707.38","0.14","120.01","0.1","120.01","0.1","","","","","","","","6","P -1","-P 1","2","","","","- C84 H98 N2 O3 Pb Si2 -","- C84 H98 N2 O3 Pb Si2 -","- C168 H196 N4 O6 Pb2 Si4 -","2","1","","Schwamm, Ryan J.; Lein, Matthias; Coles, Martyn P.; Fitchett, Christopher M.","Bismuth(III) Complex of the [S<sub>4</sub>]<sup>•-</sup> Radical Anion: Dimer Formation via Pancake Bonds.","Journal of the American Chemical Society","2017","139","46","16490","16493","10.1021/jacs.7b10454","","x-ray","0.71073","MoKα","","0.0338","0.0288","","","0.0688","0.0713","","","","","","1.005","","","","has coordinates,has disorder","241933","2020-10-21","18:00:00",""
"4131777","19.038","0.0002","27.4178","0.0003","29.8069","0.0003","90","","90","","90","","15558.6","0.3","120.01","0.1","120.01","0.1","","","","","","","","7","P b c a","-P 2ac 2ab","61","","","","- C90 H94 Bi N2 O S4 Si2 -","- C90 H94 Bi N2 O S4 Si2 -","- C720 H752 Bi8 N16 O8 S32 Si16 -","8","1","","Schwamm, Ryan J.; Lein, Matthias; Coles, Martyn P.; Fitchett, Christopher M.","Bismuth(III) Complex of the [S<sub>4</sub>]<sup>•-</sup> Radical Anion: Dimer Formation via Pancake Bonds.","Journal of the American Chemical Society","2017","139","46","16490","16493","10.1021/jacs.7b10454","","x-ray","1.54184","CuKα","","0.0567","0.0481","","","0.1428","0.1503","","","","","","1.125","","","","has coordinates,has disorder","241933","2020-10-21","18:00:00",""
"4131778","9.2754","0.0003","10.71","0.0004","12.1411","0.0004","90","","101.584","0.002","90","","1181.52","0.07","100","2","100","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C24 H34 B N O5 -","- C24 H34 B N O5 -","- C48 H68 B2 N2 O10 -","2","1","","Lovinger, Gabriel J.; Morken, James P.","Ni-Catalyzed Enantioselective Conjunctive Coupling with C(sp<sup>3</sup>) Electrophiles: A Radical-Ionic Mechanistic Dichotomy.","Journal of the American Chemical Society","2017","139","48","17293","17296","10.1021/jacs.7b10519","","","1.54178","CuKα","","0.0499","0.0489","","","0.128","0.1291","","","","","","1.018","","","","has coordinates,has disorder","241934","2020-10-21","18:00:00",""
"4131779","10.3704","0.0011","33.835","0.003","12.9525","0.0012","90","","97.371","0.003","90","","4507.2","0.8","100","","100","","","","","","","","see text","5","P 1 21/n 1","-P 2yn","14","","","","- C38 H66 N4 O Si5 -","- C38 H66 N4 O Si5 -","- C152 H264 N16 O4 Si20 -","4","1","","Wendel, Daniel; Reiter, Dominik; Porzelt, Amelie; Altmann, Philipp J.; Inoue, Shigeyoshi; Rieger, Bernhard","Silicon and Oxygen's Bond of Affection: An Acyclic Three-Coordinate Silanone and Its Transformation to an Iminosiloxysilylene.","Journal of the American Chemical Society","2017","139","47","17193","17198","10.1021/jacs.7b10634","","x-ray","0.71073","MoKα","","0.1366","0.0941","","","0.2488","0.2777","","","","","","1.217","","","","has coordinates,has disorder","241935","2020-10-21","18:00:00",""
"4131780","13.987","0.01","21.397","0.015","27.532","0.019","90","","92.58","0.02","90","","8231","10","100","","100","","","","","","","","see text","5","P 1 21/c 1","-P 2ybc","14","","","","- C39 H63 N3 O Si2 -","- C39 H63 N3 O Si2 -","- C312 H504 N24 O8 Si16 -","8","2","","Wendel, Daniel; Reiter, Dominik; Porzelt, Amelie; Altmann, Philipp J.; Inoue, Shigeyoshi; Rieger, Bernhard","Silicon and Oxygen's Bond of Affection: An Acyclic Three-Coordinate Silanone and Its Transformation to an Iminosiloxysilylene.","Journal of the American Chemical Society","2017","139","47","17193","17198","10.1021/jacs.7b10634","","x-ray","0.71073","MoKα","","0.1059","0.0788","","","0.1647","0.1786","","","","","","1.108","","","","has coordinates,has disorder","241935","2020-10-21","18:00:00",""
"4131781","13.2302","0.0014","11.9923","0.0013","28.62","0.003","90","","96.613","0.003","90","","4510.7","0.8","100","","100","","","","","","","","see text","5","P 1 21/n 1","-P 2yn","14","","","","- C37 H67 N3 O2 Si5 -","- C37 H67 N3 O2 Si5 -","- C148 H268 N12 O8 Si20 -","4","1","","Wendel, Daniel; Reiter, Dominik; Porzelt, Amelie; Altmann, Philipp J.; Inoue, Shigeyoshi; Rieger, Bernhard","Silicon and Oxygen's Bond of Affection: An Acyclic Three-Coordinate Silanone and Its Transformation to an Iminosiloxysilylene.","Journal of the American Chemical Society","2017","139","47","17193","17198","10.1021/jacs.7b10634","","x-ray","0.71073","MoKα","","0.0832","0.0563","","","0.1234","0.1342","","","","","","1.082","","","","has coordinates","241935","2020-10-21","18:00:00",""
"4131782","12.4388","0.0005","20.3429","0.0007","20.7659","0.0008","103.477","0.001","99.622","0.001","94.491","0.001","5000.2","0.3","100","","100","","","","","","","","see text","5","P -1","-P 1","2","","","","- C43 H75 N5 O Si5 -","- C43 H75 N5 O Si5 -","- C172 H300 N20 O4 Si20 -","4","2","","Wendel, Daniel; Reiter, Dominik; Porzelt, Amelie; Altmann, Philipp J.; Inoue, Shigeyoshi; Rieger, Bernhard","Silicon and Oxygen's Bond of Affection: An Acyclic Three-Coordinate Silanone and Its Transformation to an Iminosiloxysilylene.","Journal of the American Chemical Society","2017","139","47","17193","17198","10.1021/jacs.7b10634","","x-ray","0.71073","MoKα","","0.0748","0.0476","","","0.0957","0.1063","","","","","","1.025","","","","has coordinates,has disorder","241935","2020-10-21","18:00:00",""
"4131783","34.475","0.003","10.6878","0.0009","22.191","0.0019","90","","107.847","0.003","90","","7783.1","1.2","100","","100","","","","","","","","see text","5","P 1 21/c 1","-P 2ybc","14","","","","- C39 H63 N3 O Si2 -","- C39 H63 N3 O Si2 -","- C312 H504 N24 O8 Si16 -","8","2","","Wendel, Daniel; Reiter, Dominik; Porzelt, Amelie; Altmann, Philipp J.; Inoue, Shigeyoshi; Rieger, Bernhard","Silicon and Oxygen's Bond of Affection: An Acyclic Three-Coordinate Silanone and Its Transformation to an Iminosiloxysilylene.","Journal of the American Chemical Society","2017","139","47","17193","17198","10.1021/jacs.7b10634","","x-ray","0.71073","MoKα","","0.0704","0.0491","","","0.1006","0.1084","","","","","","1.081","","","","has coordinates,has disorder","241935","2020-10-21","18:00:00",""
"4131784","14.8468","0.0005","14.9675","0.0005","15.155","0.0005","88.6127","0.0005","86.0449","0.0005","61.5619","0.0004","2954.16","0.17","160","2","160","2","","","","","","","","8","P -1","-P 1","2","","","","- C59 H55 B F15 Mg N6 O2 Si3 -","- C59 H55 B F15 Mg N6 O2 Si3 -","- C118 H110 B2 F30 Mg2 N12 O4 Si6 -","2","1","","Rauch, Michael; Parkin, Gerard","Zinc and Magnesium Catalysts for the Hydrosilylation of Carbon Dioxide.","Journal of the American Chemical Society","2017","139","50","18162","18165","10.1021/jacs.7b10776","","","0.71073","MoKα","","0.0539","0.0402","","","0.1025","0.1116","","","","","","1.024","","","","has coordinates","241936","2020-10-21","18:00:00",""
"4131785","10.7246","0.0011","16.4283","0.0017","16.4561","0.0017","113.938","0.0013","101.52","0.0015","104.536","0.0015","2411.5","0.4","130","2","130","2","","","","","","","","5","P -1","-P 1","2","","","","- C49 H64 N6 Si3 Zn -","- C49 H64 N6 Si3 Zn -","- C98 H128 N12 Si6 Zn2 -","2","1","","Rauch, Michael; Parkin, Gerard","Zinc and Magnesium Catalysts for the Hydrosilylation of Carbon Dioxide.","Journal of the American Chemical Society","2017","139","50","18162","18165","10.1021/jacs.7b10776","","","0.71073","MoKα","","0.0417","0.0349","","","0.0909","0.0953","","","","","","1.047","","","","has coordinates","241937","2020-10-21","18:00:00",""
"4131786","9.4147","0.0004","18.9452","0.0008","12.4092","0.0005","90","","100.67","0.0006","90","","2175.08","0.16","130","2","130","2","","","","","","","","6","P 1 21/m 1","-P 2yb","11","","","","- C44 H58 Mg N6 O2 Si3 -","- C44 H58 Mg N6 O2 Si3 -","- C88 H116 Mg2 N12 O4 Si6 -","2","0.5","","Rauch, Michael; Parkin, Gerard","Zinc and Magnesium Catalysts for the Hydrosilylation of Carbon Dioxide.","Journal of the American Chemical Society","2017","139","50","18162","18165","10.1021/jacs.7b10776","","","0.71073","MoKα","","0.0536","0.0389","","","0.0948","0.1032","","","","","","1.029","","","","has coordinates","241938","2020-10-21","18:00:00",""
"4131787","26.281","0.0014","29.462","0.0016","18.3223","0.001","90","","90","","90","","14186.8","1.3","130","2","130","2","","","","","","","","7","P b c a","-P 2ac 2ab","61","","","","- C73 H70 B F15 Mg N6 Si3 -","- C73 H70 B F15 Mg N6 Si3 -","- C584 H560 B8 F120 Mg8 N48 Si24 -","8","1","","Rauch, Michael; Parkin, Gerard","Zinc and Magnesium Catalysts for the Hydrosilylation of Carbon Dioxide.","Journal of the American Chemical Society","2017","139","50","18162","18165","10.1021/jacs.7b10776","","","0.71073","MoKα","","0.143","0.0616","","","0.1274","0.158","","","","","","1.09","","","","has coordinates","241939","2020-10-21","18:00:00",""
"4131788","11.149","0.0004","12.253","0.0004","17.8168","0.0006","79.2769","0.0005","75.4065","0.0005","65.8128","0.0005","2139.15","0.13","130","2","130","2","","","","","","","","6","P -1","-P 1","2","","","","- C40 H54 Br N6 Si3 Zn -","- C40 H54 Br N6 Si3 Zn -","- C80 H108 Br2 N12 Si6 Zn2 -","2","1","","Rauch, Michael; Parkin, Gerard","Zinc and Magnesium Catalysts for the Hydrosilylation of Carbon Dioxide.","Journal of the American Chemical Society","2017","139","50","18162","18165","10.1021/jacs.7b10776","","","0.71073","MoKα","","0.0938","0.0499","","","0.1038","0.12","","","","","","1.006","","","","has coordinates","241940","2020-10-21","18:00:00",""
"4131789","16.8117","0.0008","23.2859","0.0011","18.0206","0.0008","90","","116.431","0.0006","90","","6317.2","0.5","113","2","113","2","","","","","","","","8","P 1 21/n 1","-P 2yn","14","","","","- C62 H58 B F15 Mg N6 O2 Si3 -","- C62 H58 B F15 Mg N6 O2 Si3 -","- C248 H232 B4 F60 Mg4 N24 O8 Si12 -","4","1","","Rauch, Michael; Parkin, Gerard","Zinc and Magnesium Catalysts for the Hydrosilylation of Carbon Dioxide.","Journal of the American Chemical Society","2017","139","50","18162","18165","10.1021/jacs.7b10776","","","0.71073","MoKα","","0.0589","0.04","","","0.0965","0.1082","","","","","","1.018","","","","has coordinates","241941","2020-10-21","18:00:00",""
"4131790","15.8196","0.0006","16.1882","0.0007","16.4818","0.0007","87.644","0.001","62.734","0.001","60.921","0.001","3188.1","0.2","130","2","130","2","","","","","","","","7","P 1","P 1","1","","","","- C64 H61 B F15 N6 Si3 Zn -","- C64 H61 B F15 N6 Si3 Zn -","- C128 H122 B2 F30 N12 Si6 Zn2 -","2","2","","Rauch, Michael; Parkin, Gerard","Zinc and Magnesium Catalysts for the Hydrosilylation of Carbon Dioxide.","Journal of the American Chemical Society","2017","139","50","18162","18165","10.1021/jacs.7b10776","","","0.71073","MoKα","","0.0571","0.051","","","0.1329","0.139","","","","","","1.027","","","","has coordinates","252331","2020-10-21","18:00:00",""
"4131791","23.2934","0.0008","19.8397","0.0008","37.1735","0.0013","90","","100.129","0.002","90","","16911.4","1.1","100","","100","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C195.55 H195.55 Cl10.66 O20 -","- C195.553 H195.553 Cl10.659 O20 -","- C782.212 H782.212 Cl42.636 O80 -","4","1","","Kiel, Gavin R.; Patel, Sajan C.; Smith, Patrick W.; Levine, Daniel S.; Tilley, T. Don","Expanded Helicenes: A General Synthetic Strategy and Remarkable Supramolecular and Solid-State Behavior.","Journal of the American Chemical Society","2017","139","51","18456","18459","10.1021/jacs.7b10902","","","0.7749","","","0.122","0.0979","","","0.2286","0.2418","","","","","","1.126","","","","has coordinates","241943","2020-10-21","18:00:00",""
"4131792","12.9527","0.0007","16.0679","0.0008","16.7417","0.0009","70.269","0.003","77.377","0.003","86.182","0.003","3200.4","0.3","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","","","- C80 H70 Cl4 O4 Se3 -","- C80 H70 Cl4 O4 Se3 -","- C160 H140 Cl8 O8 Se6 -","2","1","","Kiel, Gavin R.; Patel, Sajan C.; Smith, Patrick W.; Levine, Daniel S.; Tilley, T. Don","Expanded Helicenes: A General Synthetic Strategy and Remarkable Supramolecular and Solid-State Behavior.","Journal of the American Chemical Society","2017","139","51","18456","18459","10.1021/jacs.7b10902","","","0.7749","","","0.1165","0.0832","","","0.2348","0.2566","","","","","","1.046","","","","has coordinates","241944","2020-10-21","18:00:00",""
"4131793","20.175","0.004","53.239","0.011","54.291","0.011","81.53","0.03","83.58","0.03","81.62","0.03","56818","2","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","","","- C210 H630 Gd70 N40 O540 -","- C210 H290 Gd70 O380 -","- C420 H580 Gd140 O760 -","2","1","","Zheng, Xiu-Ying; Jiang, You-Hong; Zhuang, Gui-Lin; Liu, Da-Peng; Liao, Hong-Gang; Kong, Xiang-Jian; Long, La-Sheng; Zheng, Lan-Sun","A Gigantic Molecular Wheel of {Gd<sub>140</sub>}: A New Member of the Molecular Wheel Family.","Journal of the American Chemical Society","2017","139","50","18178","18181","10.1021/jacs.7b11112","","","0.70045","","","0.2047","0.1269","","","0.3581","0.4011","","","","","","1.148","","","","has coordinates","241945","2020-10-21","18:00:00",""
"4131794","8.712","0.0015","14.672","0.003","15.413","0.003","88.518","0.006","86.632","0.007","81.287","0.006","1943.7","0.6","93","2","93","2","","","","","","","","5","P -1","-P 1","2","","","","- C40 H68 Al Rh Si2 -","- C40 H68 Al Rh Si2 -","- C80 H136 Al2 Rh2 Si4 -","2","1","","Nakamura, Taichi; Suzuki, Katsunori; Yamashita, Makoto","Aluminabenzene-Rh and -Ir Complexes: Synthesis, Structure, and Application toward Catalytic C-H Borylation.","Journal of the American Chemical Society","2017","139","49","17763","17766","10.1021/jacs.7b11127","","","0.71075","MoKα","","0.083","0.0577","","","0.1155","0.1299","","","","","","1.049","","","","has coordinates","241946","2020-10-21","18:00:00",""
"4131795","8.7203","0.001","14.6657","0.0017","15.3905","0.0018","88.56","0.003","86.647","0.004","81.429","0.003","1942.7","0.4","93","2","93","2","","","","","","","","5","P -1","-P 1","2","","","","- C40 H68 Al Ir Si2 -","- C40 H68 Al Ir Si2 -","- C80 H136 Al2 Ir2 Si4 -","2","1","","Nakamura, Taichi; Suzuki, Katsunori; Yamashita, Makoto","Aluminabenzene-Rh and -Ir Complexes: Synthesis, Structure, and Application toward Catalytic C-H Borylation.","Journal of the American Chemical Society","2017","139","49","17763","17766","10.1021/jacs.7b11127","","","0.71075","MoKα","","0.041","0.0346","","","0.0964","0.1059","","","","","","0.775","","","","has coordinates","241946","2020-10-21","18:00:00",""
"4131796","12.7648","0.0015","28.618","0.003","15.3565","0.0017","90","","113.354","0.0018","90","","5150.2","1","93","2","93","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C54 H86 Al N2 Rh Si2 -","- C54 H86 Al N2 Rh Si2 -","- C216 H344 Al4 N8 Rh4 Si8 -","4","1","","Nakamura, Taichi; Suzuki, Katsunori; Yamashita, Makoto","Aluminabenzene-Rh and -Ir Complexes: Synthesis, Structure, and Application toward Catalytic C-H Borylation.","Journal of the American Chemical Society","2017","139","49","17763","17766","10.1021/jacs.7b11127","","","0.71075","MoKα","","0.0538","0.046","","","0.1036","0.1111","","","","","","1.124","","","","has coordinates","241946","2020-10-21","18:00:00",""
"4131797","13.4845","0.0016","14.673","0.0016","14.8811","0.0019","73.347","0.007","71.377","0.007","68.568","0.007","2548.6","0.5","93","2","93","2","","","","","","","","6","P -1","-P 1","2","","","","- C107 H170 Al2 Ir2 N4 Si4 -","- C107 H170 Al2 Ir2 N4 Si4 -","- C107 H170 Al2 Ir2 N4 Si4 -","1","0.5","","Nakamura, Taichi; Suzuki, Katsunori; Yamashita, Makoto","Aluminabenzene-Rh and -Ir Complexes: Synthesis, Structure, and Application toward Catalytic C-H Borylation.","Journal of the American Chemical Society","2017","139","49","17763","17766","10.1021/jacs.7b11127","","","0.71075","MoKα","","0.0747","0.0602","","","0.117","0.1257","","","","","","1.068","","","","has coordinates,has disorder","241946","2020-10-21","18:00:00",""
"4131798","11.3068","0.0009","7.0845","0.0005","23.268","0.002","90","","96.544","0.008","90","","1851.7","0.3","173","2","173","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C10 H6 N2 S2 -","- C10 H6 N2 S2 -","- C80 H48 N16 S16 -","8","2","","Torre, Cristina de la; Toscani, Anita; Marín-Hernández, Cristina; Robson, Jonathan A.; Terencio, María Carmen; White, Andrew J. P.; Alcaraz, María José; Wilton-Ely, James D E T; Martínez-Máñez, Ramón; Sancenón, Félix","Ex Vivo Tracking of Endogenous CO with a Ruthenium(II) Complex.","Journal of the American Chemical Society","2017","139","51","18484","18487","10.1021/jacs.7b11158","","","0.71073","MoKα","","0.0706","0.0513","","","0.1164","0.1283","","","","","","1.118","","","","has coordinates,has disorder","241948","2020-10-21","18:00:00",""
"4131799","12.1009","0.0004","14.7925","0.0006","17.7731","0.0005","76.557","0.003","82.335","0.002","85.44","0.003","3062.73","0.19","173","2","173","2","","","","","","","","8","P -1","-P 1","2","","","","- C66 H53 Cl7 N2 O P2 Ru S2 -","- C65.999 H52.998 Cl6.998 N2 O P2 Ru S2 -","- C131.998 H105.996 Cl13.996 N4 O2 P4 Ru2 S4 -","2","1","","Torre, Cristina de la; Toscani, Anita; Marín-Hernández, Cristina; Robson, Jonathan A.; Terencio, María Carmen; White, Andrew J. P.; Alcaraz, María José; Wilton-Ely, James D E T; Martínez-Máñez, Ramón; Sancenón, Félix","Ex Vivo Tracking of Endogenous CO with a Ruthenium(II) Complex.","Journal of the American Chemical Society","2017","139","51","18484","18487","10.1021/jacs.7b11158","","","1.54184","CuKα","","0.0496","0.0433","","","0.1154","0.121","","","","","","1.039","","","","has coordinates,has disorder","241948","2020-10-21","18:00:00",""
"4131800","10.4363","0.0005","14.945","0.0008","15.1451","0.0008","82.763","0.004","77.136","0.004","88.273","0.004","2284.5","0.2","173","2","173","2","","","","","","","","6","P -1","-P 1","2","","","","- C55 H43 Cl3 O2 P2 Ru -","- C55 H43 Cl3 O2 P2 Ru -","- C110 H86 Cl6 O4 P4 Ru2 -","2","1","","Torre, Cristina de la; Toscani, Anita; Marín-Hernández, Cristina; Robson, Jonathan A.; Terencio, María Carmen; White, Andrew J. P.; Alcaraz, María José; Wilton-Ely, James D E T; Martínez-Máñez, Ramón; Sancenón, Félix","Ex Vivo Tracking of Endogenous CO with a Ruthenium(II) Complex.","Journal of the American Chemical Society","2017","139","51","18484","18487","10.1021/jacs.7b11158","","","0.71073","MoKα","","0.0454","0.0348","","","0.0714","0.078","","","","","","1.035","","","","has coordinates","241948","2020-10-21","18:00:00",""
"4131809","11.9234","0.0011","14.1307","0.0012","14.189","0.0011","68.637","0.002","67.907","0.002","65.678","0.002","1955.5","0.3","123","","123","","","","","","","","","5","P -1","-P 1","2","","","","- C46 H28 Au2 F6 P2 -","- C46 H28 Au2 F6 P2 -","- C92 H56 Au4 F12 P4 -","2","1","","Jin, Mingoo; Chung, Tim S.; Seki, Tomohiro; Ito, Hajime; Garcia-Garibay, Miguel A","Phosphorescence Control Mediated by Molecular Rotation and Aurophilic Interactions in Amphidynamic Crystals of 1,4-Bis[tri-(p-fluorophenyl)phosphane-gold(I)-ethynyl]benzene.","Journal of the American Chemical Society","2017","139","49","18115","18121","10.1021/jacs.7b11316","","","0.71075","MoKα","","0.1843","0.0883","","","0.2309","0.3233","","","","","","0.869","","","","has coordinates","241957","2020-10-21","18:00:00",""
"4131810","11.9564","0.0013","14.1676","0.0017","14.2228","0.0015","69.048","0.003","67.782","0.003","65.55","0.004","1971.7","0.4","193","","193","","","","","","","","","5","P -1","-P 1","2","","","","- C46 H28 Au2 F6 P2 -","- C46 H28 Au2 F6 P2 -","- C92 H56 Au4 F12 P4 -","2","1","","Jin, Mingoo; Chung, Tim S.; Seki, Tomohiro; Ito, Hajime; Garcia-Garibay, Miguel A","Phosphorescence Control Mediated by Molecular Rotation and Aurophilic Interactions in Amphidynamic Crystals of 1,4-Bis[tri-(p-fluorophenyl)phosphane-gold(I)-ethynyl]benzene.","Journal of the American Chemical Society","2017","139","49","18115","18121","10.1021/jacs.7b11316","","","0.71075","MoKα","","0.2031","0.0929","","","0.2329","0.3064","","","","","","1.079","","","","has coordinates","241957","2020-10-21","18:00:00",""
"4131811","11.9603","0.0016","14.179","0.002","14.2356","0.0019","68.99","0.003","67.695","0.004","65.533","0.004","1974","0.5","213","","213","","","","","","","","","5","P -1","-P 1","2","","","","- C46 H28 Au2 F6 P2 -","- C46 H28 Au2 F6 P2 -","- C92 H56 Au4 F12 P4 -","2","1","","Jin, Mingoo; Chung, Tim S.; Seki, Tomohiro; Ito, Hajime; Garcia-Garibay, Miguel A","Phosphorescence Control Mediated by Molecular Rotation and Aurophilic Interactions in Amphidynamic Crystals of 1,4-Bis[tri-(p-fluorophenyl)phosphane-gold(I)-ethynyl]benzene.","Journal of the American Chemical Society","2017","139","49","18115","18121","10.1021/jacs.7b11316","","","0.71075","MoKα","","0.2108","0.1027","","","0.2865","0.3774","","","","","","1.086","","","","has coordinates","241957","2020-10-21","18:00:00",""
"4131812","11.9857","0.0016","14.187","0.002","14.267","0.002","69.105","0.004","67.658","0.004","65.451","0.004","1983.3","0.5","233","","233","","","","","","","","","5","P -1","-P 1","2","","","","- C46 H28 Au2 F6 P2 -","- C46 H28 Au2 F6 P2 -","- C92 H56 Au4 F12 P4 -","2","1","","Jin, Mingoo; Chung, Tim S.; Seki, Tomohiro; Ito, Hajime; Garcia-Garibay, Miguel A","Phosphorescence Control Mediated by Molecular Rotation and Aurophilic Interactions in Amphidynamic Crystals of 1,4-Bis[tri-(p-fluorophenyl)phosphane-gold(I)-ethynyl]benzene.","Journal of the American Chemical Society","2017","139","49","18115","18121","10.1021/jacs.7b11316","","","0.71075","MoKα","","0.1981","0.0887","","","0.2599","0.3413","","","","","","0.966","","","","has coordinates","241957","2020-10-21","18:00:00",""
"4131813","12.001","0.002","14.205","0.002","14.266","0.002","69.224","0.004","67.495","0.004","65.403","0.004","1986.9","0.5","253","","253","","","","","","","","","5","P -1","-P 1","2","","","","- C46 H28 Au2 F6 P2 -","- C46 H28 Au2 F6 P2 -","- C92 H56 Au4 F12 P4 -","2","1","","Jin, Mingoo; Chung, Tim S.; Seki, Tomohiro; Ito, Hajime; Garcia-Garibay, Miguel A","Phosphorescence Control Mediated by Molecular Rotation and Aurophilic Interactions in Amphidynamic Crystals of 1,4-Bis[tri-(p-fluorophenyl)phosphane-gold(I)-ethynyl]benzene.","Journal of the American Chemical Society","2017","139","49","18115","18121","10.1021/jacs.7b11316","","","0.71075","MoKα","","0.2139","0.0983","","","0.2721","0.3645","","","","","","1.022","","","","has coordinates","241957","2020-10-21","18:00:00",""
"4131814","12.061","0.003","14.19","0.004","14.292","0.004","69.463","0.008","67.245","0.008","65.456","0.006","1998.4","0.9","273","","273","","","","","","","","","5","P -1","-P 1","2","","","","- C46 H28 Au2 F6 P2 -","- C46 H28 Au2 F6 P2 -","- C92 H56 Au4 F12 P4 -","2","1","","Jin, Mingoo; Chung, Tim S.; Seki, Tomohiro; Ito, Hajime; Garcia-Garibay, Miguel A","Phosphorescence Control Mediated by Molecular Rotation and Aurophilic Interactions in Amphidynamic Crystals of 1,4-Bis[tri-(p-fluorophenyl)phosphane-gold(I)-ethynyl]benzene.","Journal of the American Chemical Society","2017","139","49","18115","18121","10.1021/jacs.7b11316","","","0.71075","MoKα","","0.2135","0.0877","","","0.2554","0.3429","","","","","","0.922","","","","has coordinates","241957","2020-10-21","18:00:00",""
"4131815","12.0427","0.0018","14.236","0.002","14.3149","0.0019","69.614","0.003","67.344","0.004","65.315","0.004","2005.7","0.5","298","","298","","","","","","","","","5","P -1","-P 1","2","","","","- C46 H28 Au2 F6 P2 -","- C46 H28 Au2 F6 P2 -","- C92 H56 Au4 F12 P4 -","2","1","","Jin, Mingoo; Chung, Tim S.; Seki, Tomohiro; Ito, Hajime; Garcia-Garibay, Miguel A","Phosphorescence Control Mediated by Molecular Rotation and Aurophilic Interactions in Amphidynamic Crystals of 1,4-Bis[tri-(p-fluorophenyl)phosphane-gold(I)-ethynyl]benzene.","Journal of the American Chemical Society","2017","139","49","18115","18121","10.1021/jacs.7b11316","","","0.71075","MoKα","","0.2168","0.0938","","","0.2529","0.355","","","","","","0.815","","","","has coordinates","241957","2020-10-21","18:00:00",""
"4131816","30.89","0.002","14.5763","0.0009","19.1589","0.0012","90","","97.7949","0.0015","90","","8546.8","0.9","123","","123","","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C50 H36 Au2 F6 P2 -","- C50 H36 Au2 F6 P2 -","- C400 H288 Au16 F48 P16 -","8","1","","Jin, Mingoo; Chung, Tim S.; Seki, Tomohiro; Ito, Hajime; Garcia-Garibay, Miguel A","Phosphorescence Control Mediated by Molecular Rotation and Aurophilic Interactions in Amphidynamic Crystals of 1,4-Bis[tri-(p-fluorophenyl)phosphane-gold(I)-ethynyl]benzene.","Journal of the American Chemical Society","2017","139","49","18115","18121","10.1021/jacs.7b11316","","","0.71075","MoKα","","0.1196","0.0677","","","0.1862","0.2425","","","","","","0.802","","","","has coordinates","241957","2020-10-21","18:00:00",""
"4131817","31.07","0.003","14.5498","0.0011","19.176","0.0014","90","","97.356","0.002","90","","8597.4","1.2","193","","193","","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C50 H36 Au2 F6 P2 -","- C50 H36 Au2 F6 P2 -","- C400 H288 Au16 F48 P16 -","8","1","","Jin, Mingoo; Chung, Tim S.; Seki, Tomohiro; Ito, Hajime; Garcia-Garibay, Miguel A","Phosphorescence Control Mediated by Molecular Rotation and Aurophilic Interactions in Amphidynamic Crystals of 1,4-Bis[tri-(p-fluorophenyl)phosphane-gold(I)-ethynyl]benzene.","Journal of the American Chemical Society","2017","139","49","18115","18121","10.1021/jacs.7b11316","","","0.71075","MoKα","","0.1166","0.0583","","","0.1446","0.1796","","","","","","1.017","","","","has coordinates","241957","2020-10-21","18:00:00",""
"4131818","31.171","0.002","14.5681","0.0008","19.2032","0.0011","90","","97.2997","0.0016","90","","8649.5","0.9","213","","213","","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C50 H36 Au2 F6 P2 -","- C50 H36 Au2 F6 P2 -","- C400 H288 Au16 F48 P16 -","8","1","","Jin, Mingoo; Chung, Tim S.; Seki, Tomohiro; Ito, Hajime; Garcia-Garibay, Miguel A","Phosphorescence Control Mediated by Molecular Rotation and Aurophilic Interactions in Amphidynamic Crystals of 1,4-Bis[tri-(p-fluorophenyl)phosphane-gold(I)-ethynyl]benzene.","Journal of the American Chemical Society","2017","139","49","18115","18121","10.1021/jacs.7b11316","","","0.71075","MoKα","","0.1265","0.0627","","","0.153","0.189","","","","","","1.074","","","","has coordinates","241957","2020-10-21","18:00:00",""
"4131819","31.37","0.008","14.641","0.003","19.272","0.004","90","","97.17","0.004","90","","8782","3","233","","233","","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C50 H36 Au2 F6 P2 -","- C50 H36 Au2 F6 P2 -","- C400 H288 Au16 F48 P16 -","8","1","","Jin, Mingoo; Chung, Tim S.; Seki, Tomohiro; Ito, Hajime; Garcia-Garibay, Miguel A","Phosphorescence Control Mediated by Molecular Rotation and Aurophilic Interactions in Amphidynamic Crystals of 1,4-Bis[tri-(p-fluorophenyl)phosphane-gold(I)-ethynyl]benzene.","Journal of the American Chemical Society","2017","139","49","18115","18121","10.1021/jacs.7b11316","","","0.71075","MoKα","","0.1242","0.0606","","","0.1484","0.1809","","","","","","1.048","","","","has coordinates","241957","2020-10-21","18:00:00",""
"4131820","31.287","0.002","14.5786","0.001","19.1847","0.0013","90","","97.1376","0.0018","90","","8682.7","1","253","","253","","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C50 H36 Au2 F6 P2 -","- C50 H36 Au2 F6 P2 -","- C400 H288 Au16 F48 P16 -","8","1","","Jin, Mingoo; Chung, Tim S.; Seki, Tomohiro; Ito, Hajime; Garcia-Garibay, Miguel A","Phosphorescence Control Mediated by Molecular Rotation and Aurophilic Interactions in Amphidynamic Crystals of 1,4-Bis[tri-(p-fluorophenyl)phosphane-gold(I)-ethynyl]benzene.","Journal of the American Chemical Society","2017","139","49","18115","18121","10.1021/jacs.7b11316","","","0.71075","MoKα","","0.1523","0.0706","","","0.2157","0.2849","","","","","","0.858","","","","has coordinates","241957","2020-10-21","18:00:00",""
"4131821","31.368","0.003","14.5952","0.001","19.2014","0.0014","90","","97.0338","0.0018","90","","8724.7","1.2","273","","273","","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C50 H36 Au2 F6 P2 -","- C50 H36 Au2 F6 P2 -","- C400 H288 Au16 F48 P16 -","8","1","","Jin, Mingoo; Chung, Tim S.; Seki, Tomohiro; Ito, Hajime; Garcia-Garibay, Miguel A","Phosphorescence Control Mediated by Molecular Rotation and Aurophilic Interactions in Amphidynamic Crystals of 1,4-Bis[tri-(p-fluorophenyl)phosphane-gold(I)-ethynyl]benzene.","Journal of the American Chemical Society","2017","139","49","18115","18121","10.1021/jacs.7b11316","","","0.71075","MoKα","","0.1511","0.0648","","","0.1549","0.1959","","","","","","1.015","","","","has coordinates","241957","2020-10-21","18:00:00",""
"4131822","31.414","0.003","14.5653","0.0013","19.2042","0.0017","90","","96.824","0.002","90","","8724.7","1.4","298","","298","","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C50 H36 Au2 F6 P2 -","- C50 H36 Au2 F6 P2 -","- C400 H288 Au16 F48 P16 -","8","1","","Jin, Mingoo; Chung, Tim S.; Seki, Tomohiro; Ito, Hajime; Garcia-Garibay, Miguel A","Phosphorescence Control Mediated by Molecular Rotation and Aurophilic Interactions in Amphidynamic Crystals of 1,4-Bis[tri-(p-fluorophenyl)phosphane-gold(I)-ethynyl]benzene.","Journal of the American Chemical Society","2017","139","49","18115","18121","10.1021/jacs.7b11316","","","0.71075","MoKα","","0.1603","0.0646","","","0.1608","0.2038","","","","","","0.972","","","","has coordinates","241957","2020-10-21","18:00:00",""
"4131825","7.0224","0.0002","11.4699","0.0004","24.6868","0.0008","90","","90","","90","","1988.43","0.11","120","2","120","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C23 H22 F N O4 -","- C23 H22 F N O4 -","- C92 H88 F4 N4 O16 -","4","1","","Trost, Barry M.; Gnanamani, Elumalai; Tracy, Jacob S.; Kalnmals, Christopher A.","Zn-ProPhenol Catalyzed Enantio- and Diastereoselective Direct Vinylogous Mannich Reactions between α,β- and β,γ-Butenolides and Aldimines.","Journal of the American Chemical Society","2017","139","50","18198","18201","10.1021/jacs.7b11361","","","1.54184","CuKα","","0.0258","0.0254","","","0.0679","0.0681","","","","","","1.039","","","","has coordinates","241960","2020-10-21","18:00:00",""
"4131829","33.0713","0.0012","63.499","0.003","32.3807","0.0011","90","","90","","90","","67999","5","230.01","","230.01","","","","","","","","","6","C c c a :2","-C 2a 2ac","68","","","","- C112 H176 Au21.34 Cu1.66 N S16 -","- C112 H176 Au21.341 Cu1.659 N S16 -","- C1792 H2816 Au341.456 Cu26.544 N16 S256 -","16","1","","Li, Qi; Lambright, Kelly J.; Taylor, Michael G.; Kirschbaum, Kristin; Luo, Tian-Yi; Zhao, Jianbo; Mpourmpakis, Giannis; Mokashi-Punekar, Soumitra; Rosi, Nathaniel L.; Jin, Rongchao","Reconstructing the Surface of Gold Nanoclusters by Cadmium Doping.","Journal of the American Chemical Society","2017","139","49","17779","17782","10.1021/jacs.7b11491","","x-ray","1.54178","CuKα","","0.1072","0.0702","","","0.1685","0.1974","","","","","","1.071","","","","has coordinates","241964","2020-10-21","18:00:00",""
"4131882","10.8594","0.0011","19.4976","0.0016","37.261","0.003","90","","96.961","0.002","90","","7831.2","1.2","123","2","123","2","","","","","","","","5","C 1 c 1","C -2yc","9","","","","- C50 H39 F4 Ni P -","- C50 H39 F4 Ni P -","- C400 H312 F32 Ni8 P8 -","8","2","","Kawashima, Takuya; Ohashi, Masato; Ogoshi, Sensuke","Nickel-Catalyzed Formation of 1,3-Dienes via a Highly Selective Cross-Tetramerization of Tetrafluoroethylene, Styrenes, Alkynes, and Ethylene.","Journal of the American Chemical Society","2017","139","49","17795","17798","10.1021/jacs.7b12007","","","0.71075","MoKα","","0.1206","0.0733","","","0.0941","0.1057","","","","","","1.006","","","","has coordinates","241976","2020-10-21","18:00:00",""
"4344927","17.4838","0.0006","13.9373","0.0005","17.5812","0.0007","90","","90","","90","","4284.1","0.3","180.01","0.1","180.01","0.1","","","","","","","","7","P n a 21","P 2c -2n","33","1","","","- C28 H48 Co K2 N4 O12 S4 -","- C28 H48 Co K2 N4 O12 S4 -","- C112 H192 Co4 K8 N16 O48 S16 -","4","1","","Zhu, Yuan-Yuan; Liu, Fang; Liu, Jia-Jia; Meng, Yin-Shan; Jiang, Shang-Da; Barra, Anne-Laure; Wernsdorfer, Wolfgang; Gao, Song","Slow Magnetic Relaxation in Weak Easy-Plane Anisotropy: the Case of a Combined Magnetic and HFEPR Study.","Inorganic chemistry","2017","56","2","697","700","10.1021/acs.inorgchem.6b01972","","","0.71073","MoKα","","0.0356","0.0287","","","0.0597","0.0637","","","","","","1.04","","","","has coordinates","191333","2020-10-21","18:00:00",""
"4344928","12.119","0.002","16.444","0.003","14.509","0.003","90","","93.28","0.03","90","","2886.7","0.9","173.15","","173.15","","","","","","","","","7","P 1 21/n 1","-P 2yn","14","2","","","- C16 H30 Ba Co N4 O9 S4 -","- C16 H30 Ba Co N4 O9 S4 -","- C64 H120 Ba4 Co4 N16 O36 S16 -","4","1","","Zhu, Yuan-Yuan; Liu, Fang; Liu, Jia-Jia; Meng, Yin-Shan; Jiang, Shang-Da; Barra, Anne-Laure; Wernsdorfer, Wolfgang; Gao, Song","Slow Magnetic Relaxation in Weak Easy-Plane Anisotropy: the Case of a Combined Magnetic and HFEPR Study.","Inorganic chemistry","2017","56","2","697","700","10.1021/acs.inorgchem.6b01972","","","0.71073","MoKα","","0.0479","0.0451","","","0.0983","0.0996","","","","","","1.168","","","","has coordinates","191333","2020-10-21","18:00:00",""
"4344930","33.123","0.004","12.1958","0.0014","17.838","0.002","90","","119.454","0.0016","90","","6274.5","1.3","180","2","180.15","","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C64 H96 N4 O9 U -","- C64 H96 N4 O9 U -","- C256 H384 N16 O36 U4 -","4","0.5","","Hümmer, Julian; Heinemann, Frank W.; Meyer, Karsten","Uranium Tetrakis-Aryloxide Derivatives Supported by Tetraazacyclododecane: Synthesis of Air-Stable, Coordinatively-Unsaturated U(IV) and U(V) Complexes.","Inorganic chemistry","2017","56","6","3201","3206","10.1021/acs.inorgchem.6b02123","","","0.71073","MoKα","","0.037","0.0313","","","0.0835","0.0871","","","","","","1.172","","","","has coordinates,has disorder","194825","2020-10-21","18:00:00",""
"4344931","12.5028","0.0013","13.249","0.0015","17.1043","0.0019","102.392","0.002","99.172","0.002","92.988","0.002","2721","0.5","100","2","100","2","","","","","","","","7","P -1","-P 1","2","","","","- C52 H74 F6 N4 O6 Sb U -","- C52 H74 F6 N4 O6 Sb U -","- C104 H148 F12 N8 O12 Sb2 U2 -","2","1","","Hümmer, Julian; Heinemann, Frank W.; Meyer, Karsten","Uranium Tetrakis-Aryloxide Derivatives Supported by Tetraazacyclododecane: Synthesis of Air-Stable, Coordinatively-Unsaturated U(IV) and U(V) Complexes.","Inorganic chemistry","2017","56","6","3201","3206","10.1021/acs.inorgchem.6b02123","","","0.71073","MoKα","","0.0341","0.0273","","","0.0595","0.0621","","","","","","1.091","","","","has coordinates,has disorder","194825","2020-10-21","18:00:00",""
"4344932","12.6014","0.0002","13.66","0.0003","25.045","0.0004","84.24","0.001","77.033","0.001","63.067","0.001","3745.51","0.12","100","2","100","2","","","","","","","","6","P -1","-P 1","2","","","","- C83 H83 B F15 N4 Sn2 -","- C83 H83 B F15 N4 Sn2 -","- C166 H166 B2 F30 N8 Sn4 -","2","1","","Sindlinger, Christian P.; Aicher, Frederik S. W.; Wesemann, Lars","Cationic Stannylenes: In Situ Generation and NMR Spectroscopic Characterization.","Inorganic chemistry","2017","56","1","548","560","10.1021/acs.inorgchem.6b02377","","","0.71073","MoKα","","0.0571","0.0362","","","0.0762","0.0835","","","","","","1.017","","","","has coordinates,has disorder","191342","2020-10-21","18:00:00",""
"4344933","45.079","0.002","8.6229","0.0004","8.744","0.0004","90","","94.387","0.002","90","","3388.9","0.3","100","","100","","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","bis(4-fluorophenethylammonium) (methylammonium) heptaiodo diplumbate","","- C17 H28 F2 I7 N3 Pb2 -","- C17 H22 F2 I7 N3 Pb2 -","- C68 H88 F8 I28 N12 Pb8 -","4","0.5","","Slavney, Adam H.; Smaha, Rebecca W.; Smith, Ian C.; Jaffe, Adam; Umeyama, Daiki; Karunadasa, Hemamala I.","Chemical Approaches to Addressing the Instability and Toxicity of Lead-Halide Perovskite Absorbers.","Inorganic chemistry","2017","56","1","46","55","10.1021/acs.inorgchem.6b01336","","","0.6888","synchrotron","","0.0394","0.0382","","","0.1022","0.103","","","","","","1.158","","","","has coordinates,has disorder","191343","2020-10-21","18:00:00",""
"4344936","12.4257","0.0003","15.0548","0.0006","15.5285","0.0006","113.835","0.002","94.299","0.002","103.183","0.002","2541.13","0.16","200","2","200","2","","","","","","","","7","P -1","-P 1","2","","","","- C46 H47 F12 N7 O8 P2 Ru -","- C46 H47 F12 N7 O8 P2 Ru -","- C92 H94 F24 N14 O16 P4 Ru2 -","2","1","","Tsai, Kelvin Yun-Da; Chang, I-Jy","Photocatalytic Oxidation of Bromide to Bromine.","Inorganic chemistry","2017","56","2","693","696","10.1021/acs.inorgchem.6b01652","","","0.71073","MoKα","","0.087","0.0679","","","0.1713","0.1864","","","","","","1.03","","","","has coordinates,has disorder","191334","2020-10-21","18:00:00",""
"4344937","16.5701","0.0013","11.8991","0.001","27.7929","0.0018","90","","119.643","0.003","90","","4762.7","0.6","150","2","150","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C59 H55 B Fe N4 O3 -","- C59 H55 B Fe N4 O3 -","- C236 H220 B4 Fe4 N16 O12 -","4","1","","Chakraborty, Biswarup; Jana, Rahul Dev; Singh, Reena; Paria, Sayantan; Paine, Tapan Kanti","Reductive Activation of O2 by Non-Heme Iron(II) Benzilate Complexes of N4 Ligands: Effect of Ligand Topology on the Reactivity of O2-Derived Oxidant.","Inorganic chemistry","2017","56","1","359","371","10.1021/acs.inorgchem.6b02282","","","0.71073","MoKα","","0.0335","0.0294","","","0.0724","0.0752","","","","","","0.987","","","","has coordinates","191344","2020-10-21","18:00:00",""
"4344938","29.49","0.003","11.5699","0.0012","31.273","0.003","90","","110.925","0.002","90","","9966.5","1.7","150","2","150","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C54 H43 B Fe N4 O3 -","- C54 H43 B Fe N4 O3 -","- C432 H344 B8 Fe8 N32 O24 -","8","1","","Chakraborty, Biswarup; Jana, Rahul Dev; Singh, Reena; Paria, Sayantan; Paine, Tapan Kanti","Reductive Activation of O2 by Non-Heme Iron(II) Benzilate Complexes of N4 Ligands: Effect of Ligand Topology on the Reactivity of O2-Derived Oxidant.","Inorganic chemistry","2017","56","1","359","371","10.1021/acs.inorgchem.6b02282","","","0.71073","MoKα","","0.0899","0.0715","","","0.1708","0.1818","","","","","","1.048","","","","has coordinates","191344","2020-10-21","18:00:00",""
"4344939","13.8121","0.0006","15.5546","0.0007","18.626","0.0008","90","","105.108","0.002","90","","3863.3","0.3","230","2","230","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C38 H32 Cl Fe N7 O7 -","- C38 H32 Cl Fe N7 O7 -","- C152 H128 Cl4 Fe4 N28 O28 -","4","1","","Chakraborty, Biswarup; Jana, Rahul Dev; Singh, Reena; Paria, Sayantan; Paine, Tapan Kanti","Reductive Activation of O2 by Non-Heme Iron(II) Benzilate Complexes of N4 Ligands: Effect of Ligand Topology on the Reactivity of O2-Derived Oxidant.","Inorganic chemistry","2017","56","1","359","371","10.1021/acs.inorgchem.6b02282","","","0.71073","MoKα","","0.0434","0.0391","","","0.1425","0.1466","","","","","","1.19","","","","has coordinates","191344","2020-10-21","18:00:00",""
"4344940","18.6143","0.0014","10.9186","0.0009","25.1226","0.0019","90","","108.418","0.002","90","","4844.4","0.7","150","2","150","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C57 H53 B Fe N4 O4 -","- C57 H53 B Fe N4 O4 -","- C228 H212 B4 Fe4 N16 O16 -","4","1","","Chakraborty, Biswarup; Jana, Rahul Dev; Singh, Reena; Paria, Sayantan; Paine, Tapan Kanti","Reductive Activation of O2 by Non-Heme Iron(II) Benzilate Complexes of N4 Ligands: Effect of Ligand Topology on the Reactivity of O2-Derived Oxidant.","Inorganic chemistry","2017","56","1","359","371","10.1021/acs.inorgchem.6b02282","","","0.71073","MoKα","","0.0443","0.0375","","","0.1315","0.1369","","","","","","1.098","","","","has coordinates","191344","2020-10-21","18:00:00",""
"4344941","43.0255","0.0002","43.0255","0.0002","43.0255","0.0002","90","","90","","90","","79648.5","0.6","173","2","173","2","","","","","","","","6","P 2 3","P 2 2 3","195","","","","- C40 H138 Cl5 Dy9 N4 O94 -","- C40 H64 Dy9 N4 O49 -","- C960 H1536 Dy216 N96 O1176 -","24","2","","Zheng, Xiu-Ying; Peng, Jun-Bo; Livera, M M Varuni S; Luo, Yun; Wang, Ya-Yun; Kong, Xiang-Jian; Long, La-Sheng; Zheng, Zhiping; Zheng, Lan-Sun","Selective Formation of Chromogen I from N-Acetyl-d-glucosamine upon Lanthanide Coordination.","Inorganic chemistry","2017","56","1","110","113","10.1021/acs.inorgchem.6b02589","","","0.71073","MoKα","","0.1294","0.0767","","","0.1614","0.1808","","","","","","0.955","","","","has coordinates","253039","2020-10-21","18:00:00",""
"4344942","43.0069","0.0003","43.0069","0.0003","43.0069","0.0003","90","","90","","90","","79545.3","1","120","2","120","2","","","","","","","","6","P 2 3","P 2 2 3","195","","","","- C40 H138 Cl5 Gd9 N4 O94 -","- C40 H64 Gd9 N4 O49 -","- C960 H1536 Gd216 N96 O1176 -","24","2","","Zheng, Xiu-Ying; Peng, Jun-Bo; Livera, M M Varuni S; Luo, Yun; Wang, Ya-Yun; Kong, Xiang-Jian; Long, La-Sheng; Zheng, Zhiping; Zheng, Lan-Sun","Selective Formation of Chromogen I from N-Acetyl-d-glucosamine upon Lanthanide Coordination.","Inorganic chemistry","2017","56","1","110","113","10.1021/acs.inorgchem.6b02589","","","0.71073","MoKα","","0.1621","0.0953","","","0.225","0.2609","","","","","","0.95","","","","has coordinates","253039","2020-10-21","18:00:00",""
"4344944","12.876","0.0008","9.4302","0.0007","15.1306","0.001","90","","114.194","0.005","90","","1675.8","0.2","293","","293","","","","","","","","","5","P 1 c 1","P -2yc","7","Imidazolium Tin Iodide","","","- C3 H5 I3 N2 Sn -","- C3 H5 I3 N2 Sn -","- C18 H30 I18 N12 Sn6 -","6","3","","Stoumpos, Constantinos C.; Mao, Lingling; Malliakas, Christos D.; Kanatzidis, Mercouri G.","Structure-Band Gap Relationships in Hexagonal Polytypes and Low-Dimensional Structures of Hybrid Tin Iodide Perovskites.","Inorganic chemistry","2017","56","1","56","73","10.1021/acs.inorgchem.6b02764","","x-ray","0.71073","MoKα","","0.1098","0.0569","","","0.086","0.0936","","","","1.53","1.53","1.24","","","","has coordinates","191346","2020-10-21","18:00:00",""
"4344945","9.2735","0.0013","9.2735","0.0013","34.924","0.006","90","","90","","120","","2601","0.7","400","","400","","","","","","","","","5","R 3 m :H","R 3 -2""","160","Imidazolium Tin Iodide","","","- C3 H5 I3 N2 Sn -","- C3 I3 N2.0001 Sn -","- C27 I27 N18.0009 Sn9 -","9","0.5","","Stoumpos, Constantinos C.; Mao, Lingling; Malliakas, Christos D.; Kanatzidis, Mercouri G.","Structure-Band Gap Relationships in Hexagonal Polytypes and Low-Dimensional Structures of Hybrid Tin Iodide Perovskites.","Inorganic chemistry","2017","56","1","56","73","10.1021/acs.inorgchem.6b02764","","x-ray","0.71073","MoKα","","0.1046","0.0598","","","0.1223","0.1267","","","","2.99","2.99","2.29","","","","has coordinates","191346","2020-10-21","18:00:00",""
"4344946","8.9525","0.0003","8.9525","0.0003","36.5514","0.0015","90","","90","","90","","2929.49","0.18","120","","120","","","","","","","","","5","P 42 c m","P 4c -2c","101","Isopropylammonium Tin Iodide","","","- C9 H30 I7 N3 Sn2 -","- C9 H20 I7 N3 Sn2 -","- C36 H80 I28 N12 Sn8 -","4","0.5","","Stoumpos, Constantinos C.; Mao, Lingling; Malliakas, Christos D.; Kanatzidis, Mercouri G.","Structure-Band Gap Relationships in Hexagonal Polytypes and Low-Dimensional Structures of Hybrid Tin Iodide Perovskites.","Inorganic chemistry","2017","56","1","56","73","10.1021/acs.inorgchem.6b02764","","x-ray","0.71073","MoKα","","0.1546","0.1263","","","0.2145","0.2198","","","","4.35","4.35","3.9","","","","has coordinates","191346","2020-10-21","18:00:00",""
"4344947","9.0513","0.001","9.044","0.0009","36.226","0.003","90","","90","","90","","2965.5","0.5","293","","293","","","","","","","","","5","A e 2 a","A -2ab -2ab","41","Isopropylammonium Tin Iodide","","","- C9 H30 I7 N3 Sn2 -","- C9 H20 I7 N3 Sn2 -","- C36 H80 I28 N12 Sn8 -","4","0.5","","Stoumpos, Constantinos C.; Mao, Lingling; Malliakas, Christos D.; Kanatzidis, Mercouri G.","Structure-Band Gap Relationships in Hexagonal Polytypes and Low-Dimensional Structures of Hybrid Tin Iodide Perovskites.","Inorganic chemistry","2017","56","1","56","73","10.1021/acs.inorgchem.6b02764","","x-ray","0.71073","MoKα","","0.2001","0.0884","","","0.1083","0.1237","","","","1.91","1.91","1.38","","","","has coordinates","191346","2020-10-21","18:00:00",""
"4344948","6.481","0.003","6.481","0.003","36.58","0.03","90","","90","","90","","1536.5","1.6","400","","400","","","","","","","","","5","I 4 m m","I 4 -2","107","Isopropylammonium Tin Iodide","","","- C12 H30 I7 N3 Sn2 -","- C12 I7 N3 Sn2 -","- C24 I14 N6 Sn4 -","2","0.125","","Stoumpos, Constantinos C.; Mao, Lingling; Malliakas, Christos D.; Kanatzidis, Mercouri G.","Structure-Band Gap Relationships in Hexagonal Polytypes and Low-Dimensional Structures of Hybrid Tin Iodide Perovskites.","Inorganic chemistry","2017","56","1","56","73","10.1021/acs.inorgchem.6b02764","","","0.71073","MoKα","","0.0676","0.0676","","","0.0793","0.0793","","","","1.04","1.04","1.04","","","","has coordinates","191346","2020-10-21","18:00:00",""
"4344949","9.2424","0.0005","12.6314","0.0007","14.3871","0.0008","67.071","0.004","85.695","0.004","88.087","0.004","1542.52","0.15","100","2","100","2","","","","","","","","5","P -1","-P 1","2","DiGuanidinium Tin Iodide","","","- C2 H12 I4 N6 Sn -","- C2 H12 I4 N6 Sn -","- C8 H48 I16 N24 Sn4 -","4","2","","Stoumpos, Constantinos C.; Mao, Lingling; Malliakas, Christos D.; Kanatzidis, Mercouri G.","Structure-Band Gap Relationships in Hexagonal Polytypes and Low-Dimensional Structures of Hybrid Tin Iodide Perovskites.","Inorganic chemistry","2017","56","1","56","73","10.1021/acs.inorgchem.6b02764","","","0.71073","MoKα","","0.1098","0.1","","","0.2613","0.2671","","","","","","1.097","","","","has coordinates","191346","2020-10-21","18:00:00",""
"4344950","9.2941","0.0004","26.9386","0.0012","12.8895","0.0006","90","","90.114","0.004","90","","3227.1","0.3","293","2","293","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","DiGuanidinium Tin Iodide","","","- C2 H12 I4 N6 Sn -","- C2 H12 I4 N6 Sn -","- C16 H96 I32 N48 Sn8 -","8","2","","Stoumpos, Constantinos C.; Mao, Lingling; Malliakas, Christos D.; Kanatzidis, Mercouri G.","Structure-Band Gap Relationships in Hexagonal Polytypes and Low-Dimensional Structures of Hybrid Tin Iodide Perovskites.","Inorganic chemistry","2017","56","1","56","73","10.1021/acs.inorgchem.6b02764","","","0.71073","MoKα","","0.0979","0.0727","","","0.1539","0.1717","","","","","","1.097","","","","has coordinates","191346","2020-10-21","18:00:00",""
"4344951","13.0471","0.001","13.5581","0.0015","9.3478","0.0012","90","","90","","90","","1653.6","0.3","400","2","400","2","","","","","","","","5","P m n a","-P 2ac 2","53","Diguanidinium Tin Iodide","","","- C2 H12 I4 N6 Sn -","- C2 H12 I4 N6 Sn -","- C8 H48 I16 N24 Sn4 -","4","0.5","","Stoumpos, Constantinos C.; Mao, Lingling; Malliakas, Christos D.; Kanatzidis, Mercouri G.","Structure-Band Gap Relationships in Hexagonal Polytypes and Low-Dimensional Structures of Hybrid Tin Iodide Perovskites.","Inorganic chemistry","2017","56","1","56","73","10.1021/acs.inorgchem.6b02764","","","0.71073","MoKα","","0.1414","0.0509","","","0.1238","0.1491","","","","","","0.928","","","","has coordinates","191346","2020-10-21","18:00:00",""
"4344952","12.7484","0.0005","9.2801","0.0004","14.7064","0.0006","90","","112.211","0.003","90","","1610.76","0.12","100","2","100","2","","","","","","","","5","P 1 21 1","P 2yb","4","Acetamidinium Tin Iodide","","","- C2 H7 I3 N2 Sn -","- C2 H7 I3 N2 Sn -","- C12 H42 I18 N12 Sn6 -","6","3","","Stoumpos, Constantinos C.; Mao, Lingling; Malliakas, Christos D.; Kanatzidis, Mercouri G.","Structure-Band Gap Relationships in Hexagonal Polytypes and Low-Dimensional Structures of Hybrid Tin Iodide Perovskites.","Inorganic chemistry","2017","56","1","56","73","10.1021/acs.inorgchem.6b02764","","","0.71073","MoKα","","0.0726","0.0598","","","0.1368","0.1422","","","","","","1.084","","","","has coordinates","191346","2020-10-21","18:00:00",""
"4344953","12.8568","0.0012","9.3485","0.001","15.211","0.0013","90","","113.249","0.006","90","","1679.8","0.3","293","2","293","2","","","","","","","","5","P 1 21 1","P 2yb","4","Acetamidinium Tin Iodide","","","- C2 H7 I3 N2 Sn -","- C2 H7 I3 N2 Sn -","- C12 H42 I18 N12 Sn6 -","6","3","","Stoumpos, Constantinos C.; Mao, Lingling; Malliakas, Christos D.; Kanatzidis, Mercouri G.","Structure-Band Gap Relationships in Hexagonal Polytypes and Low-Dimensional Structures of Hybrid Tin Iodide Perovskites.","Inorganic chemistry","2017","56","1","56","73","10.1021/acs.inorgchem.6b02764","","","0.71073","MoKα","","0.1261","0.0636","","","0.1018","0.1226","","","","","","1.037","","","","has coordinates","191346","2020-10-21","18:00:00",""
"4344954","9.2529","0.0012","9.2529","0.0012","35.06","0.007","90","","90","","120","","2599.6","0.7","400","2","400","2","","","","","","","","5","R 3 m :H","R 3 -2""","160","Acetamidinium Tin Iodide","","","- C2 H7 I3 N2 Sn -","- C1.9999 I3 N2.0001 Sn -","- C17.9991 I27 N18.0009 Sn9 -","9","0.5","","Stoumpos, Constantinos C.; Mao, Lingling; Malliakas, Christos D.; Kanatzidis, Mercouri G.","Structure-Band Gap Relationships in Hexagonal Polytypes and Low-Dimensional Structures of Hybrid Tin Iodide Perovskites.","Inorganic chemistry","2017","56","1","56","73","10.1021/acs.inorgchem.6b02764","","","0.71073","MoKα","","0.079","0.06","","","0.1691","0.1842","","","","","","1.109","","","","has coordinates","191346","2020-10-21","18:00:00",""
"4344955","30.7151","0.0015","8.7898","0.0004","23.0047","0.0015","90","","90","","90","","6210.8","0.6","125","","125","","","","","","","","","5","P c a 21","P 2c -2ac","29","Ethylammonium Tin Iodide","","","- C2 H8 I3 N Sn -","- C2 H8 I3 N Sn -","- C48 H192 I72 N24 Sn24 -","24","6","","Stoumpos, Constantinos C.; Mao, Lingling; Malliakas, Christos D.; Kanatzidis, Mercouri G.","Structure-Band Gap Relationships in Hexagonal Polytypes and Low-Dimensional Structures of Hybrid Tin Iodide Perovskites.","Inorganic chemistry","2017","56","1","56","73","10.1021/acs.inorgchem.6b02764","","x-ray","0.71073","MoKα","","0.0958","0.0704","","","0.1006","0.1055","","","","1.46","1.46","1.32","","","","has coordinates","191346","2020-10-21","18:00:00",""
"4344956","8.966","0.0007","8.966","0.0007","23.079","0.002","90","","90","","120","","1606.7","0.2","293","","293","","","","","","","","","5","P 63 m c","P 6c -2c","186","Ethylammonium Tin Iodide","","","- C2 H8 I3 N Sn -","- C1.9999 I3 N Sn -","- C11.9994 I18 N6 Sn6 -","6","0.5","","Stoumpos, Constantinos C.; Mao, Lingling; Malliakas, Christos D.; Kanatzidis, Mercouri G.","Structure-Band Gap Relationships in Hexagonal Polytypes and Low-Dimensional Structures of Hybrid Tin Iodide Perovskites.","Inorganic chemistry","2017","56","1","56","73","10.1021/acs.inorgchem.6b02764","","x-ray","0.71073","MoKα","","0.108","0.0876","","","0.0965","0.1","","","","1.99","1.99","1.82","","","","has coordinates","191346","2020-10-21","18:00:00",""
"4344957","8.8616","0.0016","10.33","0.0019","10.939","0.002","66.787","0.003","68.391","0.003","74.259","0.003","846.2","0.3","296","2","296","2","","","","","","","","5","P -1","-P 1","2","","","","- C6 H24 K8 O34 Pu2 -","- C6 H16 K8 O34 Pu2 -","- C6 H16 K8 O34 Pu2 -","1","0.5","","Sweet, Lucas E.; Corbey, Jordan F.; Gendron, Frédéric; Autschbach, Jochen; McNamara, Bruce K.; Ziegelgruber, Kate L.; Arrigo, Leah M.; Peper, Shane M.; Schwantes, Jon M.","Structure and Bonding Investigation of Plutonium Peroxocarbonate Complexes Using Cerium Surrogates and Electronic Structure Modeling.","Inorganic chemistry","2017","56","2","791","801","10.1021/acs.inorgchem.6b02235","","","0.71073","MoKα","","0.042","0.03","","","0.0607","0.0621","","","","","","0.883","","","","has coordinates","191335","2020-10-21","18:00:00",""
"4344959","8.568","0.002","8.568","0.002","21.757","0.007","90","","90","","120","","1383.2","0.6","300","2","300","2","","","","","","","","4","P 63/m m c","-P 6c 2c","194","","","","- C6 H18 Bi2 I9 -","- C6 H22.3234 Bi2 I9 -","- C12 H44.6468 Bi4 I18 -","2","0.0833333","","Kamminga, Machteld E.; Stroppa, Alessandro; Picozzi, Silvia; Chislov, Mikhail; Zvereva, Irina A.; Baas, Jacob; Meetsma, Auke; Blake, Graeme R.; Palstra, Thomas T. M.","Polar Nature of (CH3NH3)3Bi2I9 Perovskite-Like Hybrids.","Inorganic chemistry","2017","56","1","33","41","10.1021/acs.inorgchem.6b01699","","","0.71073","MoKα","","0.0554","0.0515","","","0.1184","0.12","","","","","","1.374","","","","has coordinates","191347","2020-10-21","18:00:00",""
"4344960","8.4952","0.0006","14.7126","0.001","21.6855","0.0014","90","","90.024","0.002","90","","2710.4","0.3","160","2","160","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C3 H18 Bi2 I9 N3 -","- C3 H18 Bi2 I9 N3 -","- C12 H72 Bi8 I36 N12 -","4","0.5","","Kamminga, Machteld E.; Stroppa, Alessandro; Picozzi, Silvia; Chislov, Mikhail; Zvereva, Irina A.; Baas, Jacob; Meetsma, Auke; Blake, Graeme R.; Palstra, Thomas T. M.","Polar Nature of (CH3NH3)3Bi2I9 Perovskite-Like Hybrids.","Inorganic chemistry","2017","56","1","33","41","10.1021/acs.inorgchem.6b01699","","","0.71073","MoKα","","0.0554","0.0528","","","0.1173","0.1198","","","","","","1.132","","","","has coordinates","191347","2020-10-21","18:00:00",""
"4344961","8.4729","0.0017","14.663","0.003","21.347","0.004","90","","90.08","0.03","90","","2652.1","0.9","100","2","100","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C3 H18 Bi2 I9 N3 -","- C3 H18 Bi2 I9 N3 -","- C12 H72 Bi8 I36 N12 -","4","2","","Kamminga, Machteld E.; Stroppa, Alessandro; Picozzi, Silvia; Chislov, Mikhail; Zvereva, Irina A.; Baas, Jacob; Meetsma, Auke; Blake, Graeme R.; Palstra, Thomas T. M.","Polar Nature of (CH3NH3)3Bi2I9 Perovskite-Like Hybrids.","Inorganic chemistry","2017","56","1","33","41","10.1021/acs.inorgchem.6b01699","","","0.71073","MoKα","","0.0921","0.068","","","0.1901","0.2094","","","","","","1.177","","","","has coordinates","191347","2020-10-21","18:00:00",""
"4344962","17.038","0.005","15.975","0.004","27.222","0.007","90","","104.379","0.006","90","","7177","3","100","2","100","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C67 H68 Cl3 Co Cu N23 O12 -","- C67 H68 Cl3 Co Cu N23 O12 -","- C268 H272 Cl12 Co4 Cu4 N92 O48 -","4","1","","Sommer, Michael G.; Marx, Raphael; Schweinfurth, David; Rechkemmer, Yvonne; Neugebauer, Petr; van der Meer, Margarethe; Hohloch, Stephan; Demeshko, Serhiy; Meyer, Franc; van Slageren, Joris; Sarkar, Biprajit","Control of Complex Formation through Peripheral Substituents in Click-Tripodal Ligands: Structural Diversity in Homo- and Heterodinuclear Cobalt-Azido Complexes.","Inorganic chemistry","2017","56","1","402","413","10.1021/acs.inorgchem.6b02330","","","0.71073","MoKα","","0.0752","0.0538","","","0.1272","0.1383","","","","","","1.063","","","","has coordinates","191348","2020-10-21","18:00:00",""
"4344963","11.911","0.003","13.552","0.003","19.183","0.005","90","","106.809","0.005","90","","2964.2","1.3","100","2","100","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C27 H24 Cl Co N13 O4 -","- C27 H24 Cl Co N13 O4 -","- C108 H96 Cl4 Co4 N52 O16 -","4","1","","Sommer, Michael G.; Marx, Raphael; Schweinfurth, David; Rechkemmer, Yvonne; Neugebauer, Petr; van der Meer, Margarethe; Hohloch, Stephan; Demeshko, Serhiy; Meyer, Franc; van Slageren, Joris; Sarkar, Biprajit","Control of Complex Formation through Peripheral Substituents in Click-Tripodal Ligands: Structural Diversity in Homo- and Heterodinuclear Cobalt-Azido Complexes.","Inorganic chemistry","2017","56","1","402","413","10.1021/acs.inorgchem.6b02330","","","0.71073","MoKα","","0.0877","0.0587","","","0.142","0.1687","","","","","","1.056","","","","has coordinates","191348","2020-10-21","18:00:00",""
"4344964","12.985","0.005","15.089","0.005","17.369","0.005","103.948","0.005","106.273","0.005","111.23","0.005","2813.2","1.7","140","2","140","2","","","","","","","","6","P -1","-P 1","2","","","","- C100 H143 Cl2 Co2 N27 O10 -","- C100 H143 Cl2 Co2 N27 O10 -","- C100 H143 Cl2 Co2 N27 O10 -","1","0.5","","Sommer, Michael G.; Marx, Raphael; Schweinfurth, David; Rechkemmer, Yvonne; Neugebauer, Petr; van der Meer, Margarethe; Hohloch, Stephan; Demeshko, Serhiy; Meyer, Franc; van Slageren, Joris; Sarkar, Biprajit","Control of Complex Formation through Peripheral Substituents in Click-Tripodal Ligands: Structural Diversity in Homo- and Heterodinuclear Cobalt-Azido Complexes.","Inorganic chemistry","2017","56","1","402","413","10.1021/acs.inorgchem.6b02330","","","0.71069","MoKα","","0.0948","0.0607","","","0.1611","0.1873","","","","","","1.062","","","","has coordinates","191348","2020-10-21","18:00:00",""
"4344965","41.954","0.005","10.567","0.005","30.155","0.005","90","","94.674","0.005","90","","13324","7","140","2","140","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C114 H105 Cl6 Co4 N49 O24 -","- C114 H105 Cl6 Co4 N49 O24 -","- C456 H420 Cl24 Co16 N196 O96 -","4","0.5","","Sommer, Michael G.; Marx, Raphael; Schweinfurth, David; Rechkemmer, Yvonne; Neugebauer, Petr; van der Meer, Margarethe; Hohloch, Stephan; Demeshko, Serhiy; Meyer, Franc; van Slageren, Joris; Sarkar, Biprajit","Control of Complex Formation through Peripheral Substituents in Click-Tripodal Ligands: Structural Diversity in Homo- and Heterodinuclear Cobalt-Azido Complexes.","Inorganic chemistry","2017","56","1","402","413","10.1021/acs.inorgchem.6b02330","","","0.71069","MoKα","","0.089","0.0534","","","0.1416","0.1609","","","","","","1.037","","","","has coordinates","191348","2020-10-21","18:00:00",""
"4344966","15.845","0.003","16.3","0.003","26.104","0.004","90","","93.266","0.004","90","","6731","2","140","2","140","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C59 H57 Cl3 Cu2 N24 O12 -","- C59 H57 Cl3 Cu2 N24 O12 -","- C236 H228 Cl12 Cu8 N96 O48 -","4","1","","Sommer, Michael G.; Marx, Raphael; Schweinfurth, David; Rechkemmer, Yvonne; Neugebauer, Petr; van der Meer, Margarethe; Hohloch, Stephan; Demeshko, Serhiy; Meyer, Franc; van Slageren, Joris; Sarkar, Biprajit","Control of Complex Formation through Peripheral Substituents in Click-Tripodal Ligands: Structural Diversity in Homo- and Heterodinuclear Cobalt-Azido Complexes.","Inorganic chemistry","2017","56","1","402","413","10.1021/acs.inorgchem.6b02330","","","0.71073","MoKα","","0.0697","0.0423","","","0.1008","0.121","","","","","","1.085","","","","has coordinates","191348","2020-10-21","18:00:00",""
"4344967","11.9577","0.0006","25.9892","0.0014","12.0161","0.0006","90","","91.07","0.003","90","","3733.6","0.3","110","2","110","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C66 H69 Cl2 Cu2 N29 O8 -","- C66 H69 Cl2 Cu2 N29 O8 -","- C132 H138 Cl4 Cu4 N58 O16 -","2","0.5","","Sommer, Michael G.; Marx, Raphael; Schweinfurth, David; Rechkemmer, Yvonne; Neugebauer, Petr; van der Meer, Margarethe; Hohloch, Stephan; Demeshko, Serhiy; Meyer, Franc; van Slageren, Joris; Sarkar, Biprajit","Control of Complex Formation through Peripheral Substituents in Click-Tripodal Ligands: Structural Diversity in Homo- and Heterodinuclear Cobalt-Azido Complexes.","Inorganic chemistry","2017","56","1","402","413","10.1021/acs.inorgchem.6b02330","","","0.71073","MoKα","","0.0578","0.0435","","","0.1173","0.1278","","","","","","1.046","","","","has coordinates","191348","2020-10-21","18:00:00",""
"4344968","17.022","0.003","15.856","0.003","27.632","0.006","90","","102.54","0.03","90","","7280","3","293","2","293","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C62 H60 Cl3 Co2 N24 O12 -","- C62 H60 Cl3 Co2 N24 O12 -","- C248 H240 Cl12 Co8 N96 O48 -","4","1","","Sommer, Michael G.; Marx, Raphael; Schweinfurth, David; Rechkemmer, Yvonne; Neugebauer, Petr; van der Meer, Margarethe; Hohloch, Stephan; Demeshko, Serhiy; Meyer, Franc; van Slageren, Joris; Sarkar, Biprajit","Control of Complex Formation through Peripheral Substituents in Click-Tripodal Ligands: Structural Diversity in Homo- and Heterodinuclear Cobalt-Azido Complexes.","Inorganic chemistry","2017","56","1","402","413","10.1021/acs.inorgchem.6b02330","","","0.71073","MoKα","","0.1254","0.079","","","0.2081","0.2371","","","","","","0.982","","","","has coordinates","191348","2020-10-21","18:00:00",""
"4344969","11.1776","0.0002","12.1319","0.0002","22.0941","0.0004","90","","90.903","0.001","90","","2995.71","0.09","100","2","100.01","","","","","","","","","7","P 1 c 1","P -2yc","7","","","","- C28.04 H22.08 Cl0.08 Mg O5 Pt S4 -","- C28.0415 H22.083 Cl0.083 Mg O5 Pt S4 -","- C112.166 H88.332 Cl0.332 Mg4 O20 Pt4 S16 -","4","2","","Baddour, Frederick G.; Hyre, Ariel S.; Guillet, Jesse L.; Pascual, David; Lopez-de-Luzuriaga, José Maria; Alam, Todd M.; Bacon, Jeffrey W.; Doerrer, Linda H.","Pt-Mg, Pt-Ca, and Pt-Zn Lantern Complexes and Metal-Only Donor-Acceptor Interactions.","Inorganic chemistry","2017","56","1","452","469","10.1021/acs.inorgchem.6b02372","","","1.54178","CuKα","","0.0176","0.0175","","","0.0438","0.0438","","","","","","1.062","","","","has coordinates","191349","2020-10-21","18:00:00",""
"4344970","14.753","0.0004","11.3221","0.0003","19.1906","0.0005","90","","97.481","0.001","90","","3178.22","0.15","100","2","100","","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C58 H48 Ca2 Cl4 O12 Pt2 S8 -","- C58 H48 Ca2 Cl4 O12 Pt2 S8 -","- C116 H96 Ca4 Cl8 O24 Pt4 S16 -","2","0.5","","Baddour, Frederick G.; Hyre, Ariel S.; Guillet, Jesse L.; Pascual, David; Lopez-de-Luzuriaga, José Maria; Alam, Todd M.; Bacon, Jeffrey W.; Doerrer, Linda H.","Pt-Mg, Pt-Ca, and Pt-Zn Lantern Complexes and Metal-Only Donor-Acceptor Interactions.","Inorganic chemistry","2017","56","1","452","469","10.1021/acs.inorgchem.6b02372","","","1.54178","CuKα","","0.025","0.0246","","","0.06","0.0602","","","","","","1.091","","","","has coordinates","191349","2020-10-21","18:00:00",""
"4344971","19.0932","0.0018","19.0932","0.0018","22.727","0.002","90","","90","","90","","8285.1","1.3","300","2","299.68","","","","","","","","","6","I -4 c 2","I -4 -2c","120","","","","- C36 H38 O7 Pt S4 Zn -","- C36 H38 O7 Pt S4 Zn -","- C288 H304 O56 Pt8 S32 Zn8 -","8","0.5","","Baddour, Frederick G.; Hyre, Ariel S.; Guillet, Jesse L.; Pascual, David; Lopez-de-Luzuriaga, José Maria; Alam, Todd M.; Bacon, Jeffrey W.; Doerrer, Linda H.","Pt-Mg, Pt-Ca, and Pt-Zn Lantern Complexes and Metal-Only Donor-Acceptor Interactions.","Inorganic chemistry","2017","56","1","452","469","10.1021/acs.inorgchem.6b02372","","","1.54178","CuKα","","0.0422","0.0416","","","0.1223","0.1231","","","","","","1.079","","","","has coordinates,has disorder","191349","2020-10-21","18:00:00",""
"4344972","11.0404","0.0008","12.0309","0.0009","12.573","0.0009","114.998","0.002","104.532","0.002","102.47","0.002","1362.93","0.18","122","","122","","","","","","","","","6","P -1","-P 1","2","","","","- C56 H61 O8.5 P2 Pt S4 -","- C56 H61 O8.5 P2 Pt S4 -","- C56 H61 O8.5 P2 Pt S4 -","1","0.5","","Baddour, Frederick G.; Hyre, Ariel S.; Guillet, Jesse L.; Pascual, David; Lopez-de-Luzuriaga, José Maria; Alam, Todd M.; Bacon, Jeffrey W.; Doerrer, Linda H.","Pt-Mg, Pt-Ca, and Pt-Zn Lantern Complexes and Metal-Only Donor-Acceptor Interactions.","Inorganic chemistry","2017","56","1","452","469","10.1021/acs.inorgchem.6b02372","","","0.71073","MoKα","","0.0173","0.0169","","","0.0411","0.0413","","","","","","1.044","","","","has coordinates","191349","2020-10-21","18:00:00",""
"4344973","9.8804","0.0008","23.5726","0.0019","17.04","0.0014","90","","95.524","0.002","90","","3950.3","0.6","170","2","170","2","","","","","","","","8","P 1 21/c 1","-P 2ybc","14","","","","- C41 H34 Br Cl3 Ir N4 O2 S -","- C41 H34 Br Cl3 Ir N4 O2 S -","- C164 H136 Br4 Cl12 Ir4 N16 O8 S4 -","4","1","","Hisamatsu, Yosuke; Kumar, Sarvendra; Aoki, Shin","Design and Synthesis of Tris-Heteroleptic Cyclometalated Iridium(III) Complexes Consisting of Three Different Nonsymmetric Ligands Based on Ligand-Selective Electrophilic Reactions via Interligand HOMO Hopping Phenomena.","Inorganic chemistry","2017","56","2","886","899","10.1021/acs.inorgchem.6b02519","","","0.71073","MoKα","","0.0434","0.0306","","","0.0687","0.0832","","","","","","1.075","","","","has coordinates","191336","2020-10-21","18:00:00",""
"4344975","10.237","0.008","10.46","0.005","11.166","0.008","84.283","0.015","80.45","0.02","85.85","0.03","1171.3","1.4","296","2","296","2","","","","","","","","5","P -1","-P 1","2","","","","- C24 H16 Bi I6 S16 -","- C24 H16 Bi I6 S16 -","- C24 H16 Bi I6 S16 -","1","0.5","","Evans, Hayden A.; Labram, John G.; Smock, Sara R.; Wu, Guang; Chabinyc, Michael L.; Seshadri, Ram; Wudl, Fred","Mono- and Mixed-Valence Tetrathiafulvalene Semiconductors (TTF)BiI4 and (TTF)4BiI6 with 1D and 0D Bismuth-Iodide Networks.","Inorganic chemistry","2017","56","1","395","401","10.1021/acs.inorgchem.6b02287","","","0.71073","MoKα","","0.1048","0.0591","","","0.1347","0.1547","","","","","","1.019","","","","has coordinates","191350","2020-10-21","18:00:00",""
"4344978","21.346","0.007","21.346","0.007","13.033","0.004","90","","90","","120","","5143","3","273","","273","","","","","","","","","5","P 63 c m","P 6c -2","185","","","","- C21 H9 N O8 Pb2 -","- C21 H9 N O8 Pb2 -","- C126 H54 N6 O48 Pb12 -","6","0.5","","Wu, Yun-Long; Qian, Jinjie; Yang, Guo-Ping; Yang, Fan; Liang, Yu-Tong; Zhang, Wen-Yan; Wang, Yao-Yu","High CO2 Uptake Capacity and Selectivity in a Fascinating Nanotube-Based Metal-Organic Framework.","Inorganic chemistry","2017","56","2","908","913","10.1021/acs.inorgchem.6b02491","","","0.71073","MoKα","","0.0452","0.0326","","","0.0667","0.0699","","","","","","1.009","","","","has coordinates,has disorder","191338","2020-10-21","18:00:00",""
"4344979","10.215","0.005","10.959","0.005","16.413","0.005","80.353","0.005","86.921","0.005","71.791","0.005","1720.7","1.3","103","2","103","2","","","","","","","","7","P -1","-P 1","2","","","","- C38 H27 F2 Ir N4 O2 S -","- C38 H27 F2 Ir N4 O2 S -","- C76 H54 F4 Ir2 N8 O4 S2 -","2","1","","Tamura, Yuichi; Hisamatsu, Yosuke; Kumar, Sarvendra; Itoh, Taiki; Sato, Kyouhei; Kuroda, Reiko; Aoki, Shin","Efficient Synthesis of Tris-Heteroleptic Iridium(III) Complexes Based on the Zn(2+)-Promoted Degradation of Tris-Cyclometalated Iridium(III) Complexes and Their Photophysical Properties.","Inorganic chemistry","2017","56","2","812","833","10.1021/acs.inorgchem.6b02270","","","0.71069","MoKα","","0.0781","0.0623","","","0.1324","0.138","","","","","","1.05","","","","has coordinates","191340","2020-10-21","18:00:00",""
"4344980","34.105","0.016","9.227","0.004","17.928","0.008","90","","99.71","0.009","90","","5561","4","173","2","173","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C35 H26 F2 Ir N3 -","- C35 H26 F2 Ir N3 -","- C280 H208 F16 Ir8 N24 -","8","1","","Tamura, Yuichi; Hisamatsu, Yosuke; Kumar, Sarvendra; Itoh, Taiki; Sato, Kyouhei; Kuroda, Reiko; Aoki, Shin","Efficient Synthesis of Tris-Heteroleptic Iridium(III) Complexes Based on the Zn(2+)-Promoted Degradation of Tris-Cyclometalated Iridium(III) Complexes and Their Photophysical Properties.","Inorganic chemistry","2017","56","2","812","833","10.1021/acs.inorgchem.6b02270","","","0.71073","MoKα","","0.0584","0.0484","","","0.1054","0.1094","","","","","","1.137","","","","has coordinates","191340","2020-10-21","18:00:00",""
"4344981","11.6206","0.0006","14.811","0.0007","25.0132","0.0013","90","","96.241","0.002","90","","4279.6","0.4","296","2","296","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C48 H40 Br2 Ir2 N4 -","- C48 H40 Br2 Ir2 N4 -","- C192 H160 Br8 Ir8 N16 -","4","1","","Tamura, Yuichi; Hisamatsu, Yosuke; Kumar, Sarvendra; Itoh, Taiki; Sato, Kyouhei; Kuroda, Reiko; Aoki, Shin","Efficient Synthesis of Tris-Heteroleptic Iridium(III) Complexes Based on the Zn(2+)-Promoted Degradation of Tris-Cyclometalated Iridium(III) Complexes and Their Photophysical Properties.","Inorganic chemistry","2017","56","2","812","833","10.1021/acs.inorgchem.6b02270","","","0.71073","MoKα","","0.1049","0.065","","","0.1391","0.157","","","","","","1.139","","","","has coordinates","191340","2020-10-21","18:00:00",""
"4344982","19.6105","0.0016","8.6627","0.0007","17.9826","0.0015","90","","96.598","0.001","90","","3034.6","0.4","181","2","181","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C36 H28 Cl2 F2 Ir N3 -","- C36 H28 Cl2 F2 Ir N3 -","- C144 H112 Cl8 F8 Ir4 N12 -","4","1","","Tamura, Yuichi; Hisamatsu, Yosuke; Kumar, Sarvendra; Itoh, Taiki; Sato, Kyouhei; Kuroda, Reiko; Aoki, Shin","Efficient Synthesis of Tris-Heteroleptic Iridium(III) Complexes Based on the Zn(2+)-Promoted Degradation of Tris-Cyclometalated Iridium(III) Complexes and Their Photophysical Properties.","Inorganic chemistry","2017","56","2","812","833","10.1021/acs.inorgchem.6b02270","","","0.71073","MoKα","","0.044","0.0366","","","0.093","0.0972","","","","","","1.042","","","","has coordinates","191340","2020-10-21","18:00:00",""
"4344983","9.5171","0.0007","12.9204","0.0009","13.0846","0.001","70.745","0.001","86.152","0.001","84.71","0.001","1511.32","0.19","175","2","175","2","","","","","","","","7","P -1","-P 1","2","","","","- C35 H25 Br F2 Ir N3 O1.5 -","- C35 H25 Br F2 Ir N3 O1.5 -","- C70 H50 Br2 F4 Ir2 N6 O3 -","2","1","","Tamura, Yuichi; Hisamatsu, Yosuke; Kumar, Sarvendra; Itoh, Taiki; Sato, Kyouhei; Kuroda, Reiko; Aoki, Shin","Efficient Synthesis of Tris-Heteroleptic Iridium(III) Complexes Based on the Zn(2+)-Promoted Degradation of Tris-Cyclometalated Iridium(III) Complexes and Their Photophysical Properties.","Inorganic chemistry","2017","56","2","812","833","10.1021/acs.inorgchem.6b02270","","","0.71073","MoKα","","0.0321","0.0311","","","0.0885","0.0893","","","","","","1.066","","","","has coordinates","191340","2020-10-21","18:00:00",""
"4344984","12.1658","0.0011","15.5222","0.0015","21.704","0.002","90","","90","","90","","4098.6","0.7","153","2","153","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C12 H24 Ce N3 O15 -","- C12 H24 Ce N3 O15 -","- C96 H192 Ce8 N24 O120 -","8","1","","Wada, Hisami; Ooka, Sayaka; Yamamura, Tomoo; Kajiwara, Takashi","Light Lanthanide Complexes with Crown Ether and Its Aza Derivative Which Show Slow Magnetic Relaxation Behaviors.","Inorganic chemistry","2017","56","1","147","155","10.1021/acs.inorgchem.6b01764","","","0.71075","MoKα","","0.0482","0.0419","","","0.0874","0.0911","","","","","","1.138","","","","has coordinates","191351","2020-10-21","18:00:00",""
"4344985","12.1556","0.0013","15.5056","0.0017","21.678","0.002","90","","90","","90","","4085.9","0.7","153","2","153","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C12 H24 N3 O15 Pr -","- C12 H24 N3 O15 Pr -","- C96 H192 N24 O120 Pr8 -","8","1","","Wada, Hisami; Ooka, Sayaka; Yamamura, Tomoo; Kajiwara, Takashi","Light Lanthanide Complexes with Crown Ether and Its Aza Derivative Which Show Slow Magnetic Relaxation Behaviors.","Inorganic chemistry","2017","56","1","147","155","10.1021/acs.inorgchem.6b01764","","","0.71075","MoKα","","0.0428","0.0379","","","0.0891","0.0925","","","","","","1.127","","","","has coordinates","191351","2020-10-21","18:00:00",""
"4344986","12.1528","0.0014","15.5137","0.0017","21.672","0.003","90","","90","","90","","4085.9","0.9","153","2","153","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C12 H24 N3 Nd O15 -","- C12 H24 N3 Nd O15 -","- C96 H192 N24 Nd8 O120 -","8","1","","Wada, Hisami; Ooka, Sayaka; Yamamura, Tomoo; Kajiwara, Takashi","Light Lanthanide Complexes with Crown Ether and Its Aza Derivative Which Show Slow Magnetic Relaxation Behaviors.","Inorganic chemistry","2017","56","1","147","155","10.1021/acs.inorgchem.6b01764","","","0.71075","MoKα","","0.0364","0.0344","","","0.083","0.0845","","","","","","1.134","","","","has coordinates","191351","2020-10-21","18:00:00",""
"4344987","8.8581","0.001","10.2562","0.0013","12.6506","0.0016","83.787","0.005","76.197","0.005","67.095","0.003","1028","0.2","153","2","153","2","","","","","","","","5","P -1","-P 1","2","","","","- C12 H26 Ce N5 O13 -","- C12 H26 Ce N5 O13 -","- C24 H52 Ce2 N10 O26 -","2","1","","Wada, Hisami; Ooka, Sayaka; Yamamura, Tomoo; Kajiwara, Takashi","Light Lanthanide Complexes with Crown Ether and Its Aza Derivative Which Show Slow Magnetic Relaxation Behaviors.","Inorganic chemistry","2017","56","1","147","155","10.1021/acs.inorgchem.6b01764","","","0.71075","MoKα","","0.0263","0.025","","","0.0606","0.0616","","","","","","1.084","","","","has coordinates","191351","2020-10-21","18:00:00",""
"4344988","8.8505","0.0008","10.2465","0.001","12.6463","0.0014","83.884","0.004","76.195","0.004","67.02","0.003","1025.22","0.18","153","2","153","2","","","","","","","","5","P -1","-P 1","2","","","","- C12 H26 N5 O13 Pr -","- C12 H26 N5 O13 Pr -","- C24 H52 N10 O26 Pr2 -","2","1","","Wada, Hisami; Ooka, Sayaka; Yamamura, Tomoo; Kajiwara, Takashi","Light Lanthanide Complexes with Crown Ether and Its Aza Derivative Which Show Slow Magnetic Relaxation Behaviors.","Inorganic chemistry","2017","56","1","147","155","10.1021/acs.inorgchem.6b01764","","","0.71075","MoKα","","0.0281","0.0262","","","0.0626","0.0638","","","","","","1.058","","","","has coordinates","191351","2020-10-21","18:00:00",""
"4344989","8.8362","0.0013","10.237","0.0017","12.638","0.002","83.993","0.007","76.239","0.006","66.958","0.006","1021.7","0.3","153","2","153","2","","","","","","","","5","P -1","-P 1","2","","","","- C12 H26 N5 Nd O13 -","- C12 H26 N5 Nd O13 -","- C24 H52 N10 Nd2 O26 -","2","1","","Wada, Hisami; Ooka, Sayaka; Yamamura, Tomoo; Kajiwara, Takashi","Light Lanthanide Complexes with Crown Ether and Its Aza Derivative Which Show Slow Magnetic Relaxation Behaviors.","Inorganic chemistry","2017","56","1","147","155","10.1021/acs.inorgchem.6b01764","","","0.71075","MoKα","","0.026","0.0249","","","0.0613","0.0622","","","","","","1.072","","","","has coordinates","191351","2020-10-21","18:00:00",""
"4344992","10.3282","0.0005","7.7874","0.0004","16.8891","0.0009","90","","101.963","0.002","90","","1328.89","0.12","100","2","100","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C20 H20 B2 Co F8 N12 -","- C20 H20 B2 Co F8 N12 -","- C40 H40 B4 Co2 F16 N24 -","2","0.5","","Marts, Amy R.; Kaine, Joshua C.; Baum, Robert R.; Clayton, Vivien L.; Bennett, Jami R.; Cordonnier, Laura J.; McCarrick, Robert; Hasheminasab, Abed; Crandall, Laura A.; Ziegler, Christopher J.; Tierney, David L.","Paramagnetic Resonance of Cobalt(II) Trispyrazolylmethanes and Counterion Association.","Inorganic chemistry","2017","56","1","618","626","10.1021/acs.inorgchem.6b02520","","","0.71073","MoKα","","0.0774","0.0728","","","0.1872","0.1917","","","","","","0.976","","","","has coordinates","191353","2020-10-21","18:00:00",""
"4344993","7.9019","0.0007","16.7671","0.0014","11.0718","0.0009","90","","94.507","0.003","90","","1462.4","0.2","100","2","100","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C20 H20 Co F12 N12 P2 -","- C20 H20 Co F12 N12 P2 -","- C40 H40 Co2 F24 N24 P4 -","2","0.5","","Marts, Amy R.; Kaine, Joshua C.; Baum, Robert R.; Clayton, Vivien L.; Bennett, Jami R.; Cordonnier, Laura J.; McCarrick, Robert; Hasheminasab, Abed; Crandall, Laura A.; Ziegler, Christopher J.; Tierney, David L.","Paramagnetic Resonance of Cobalt(II) Trispyrazolylmethanes and Counterion Association.","Inorganic chemistry","2017","56","1","618","626","10.1021/acs.inorgchem.6b02520","","","1.54178","CuKα","","0.0295","0.0287","","","0.0945","0.0958","","","","","","0.829","","","","has coordinates","191353","2020-10-21","18:00:00",""
"4344994","10.1549","0.0004","10.3638","0.0004","16.5618","0.0008","76.291","0.003","80.761","0.003","75.251","0.003","1628.22","0.12","150","2","150","2","","","","","","","","6","P -1","-P 1","2","","","","- C27 H27 F12 N7 P2 Ru -","- C27 H27 F12 N7 P2 Ru -","- C54 H54 F24 N14 P4 Ru2 -","2","1","","Unjaroen, Duenpen; Chen, Juan; Otten, Edwin; Browne, Wesley R.","Switching Pathways for Reversible Ligand Photodissociation in Ru(II) Polypyridyl Complexes with Steric Effects","Inorganic Chemistry","2017","","","","","10.1021/acs.inorgchem.6b02521","","","1.54178","CuKα","","0.122","0.0633","","","0.1301","0.1783","","","","","","1.12","","","","has coordinates","189770","2020-10-21","18:00:00",""
"4344995","9.848","0.003","14.954","0.005","16.443","0.006","77.951","0.005","89.872","0.005","80.65","0.005","2335.4","1.4","296.15","","296.15","","","","","","","","","6","P -1","-P 1","2","","","","- C109 H106 Cl6 N2 P4 Ru2 -","- C109 H106 Cl6 N2 P4 Ru2 -","- C109 H106 Cl6 N2 P4 Ru2 -","1","0.5","","Zhang, Jing; Guo, Shen-Zhen; Dong, Yu-Bao; Rao, Li; Yin, Jun; Yu, Guang-Ao; Hartl, František; Liu, Sheng Hua","Multistep Oxidation of Diethynyl Oligophenylamine-Bridged Diruthenium and Diiron Complexes.","Inorganic chemistry","2017","56","2","1001","1015","10.1021/acs.inorgchem.6b02809","","","0.71073","MoKα","","0.1608","0.1398","","","0.4097","0.4261","","","","","","1.081","","","","has coordinates,has disorder","191341","2020-10-21","18:00:00",""
"4344996","6.715","0.004","20.426","0.011","10.767","0.005","90","","120.08","0.03","90","","1277.9","1.2","293","2","293","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- Ag3 Bi P2 S8 -","- Ag3 Bi P2 S8 -","- Ag12 Bi4 P8 S32 -","4","1","","Fan, Yu-Hang; Zeng, Hui-Yi; Jiang, Xiao-Ming; Zhang, Ming-Jian; Liu, Bin-Wen; Guo, Guo-Cong; Huang, Jin-Shun","Thiophosphates Containing Ag+ and Lone-Pair Cations with Interchiral Double Helix Show Both Ionic Conductivity and Phase Transition","Inorganic Chemistry","2017","","","","","10.1021/acs.inorgchem.6b02667","","","0.71073","MoKα","","0.0761","0.0519","","","0.1132","0.1316","","","","","","0.978","","","","has coordinates","211196","2020-10-21","18:00:00",""
"4344997","10.59","0.006","10.206","0.005","21.165","0.003","90","","119.873","0.015","90","","1983.6","1.5","293","2","293","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","Ag7 Sn P3 S12","","","- Ag7 P3 S12 Sn -","- Ag7 P3 S12 Sn -","- Ag28 P12 S48 Sn4 -","4","1","","Fan, Yu-Hang; Zeng, Hui-Yi; Jiang, Xiao-Ming; Zhang, Ming-Jian; Liu, Bin-Wen; Guo, Guo-Cong; Huang, Jin-Shun","Thiophosphates Containing Ag+ and Lone-Pair Cations with Interchiral Double Helix Show Both Ionic Conductivity and Phase Transition","Inorganic Chemistry","2017","","","","","10.1021/acs.inorgchem.6b02667","","","0.71073","MoKα","","0.0608","0.0457","","","0.1027","0.1137","","","","","","1.033","","","","has coordinates","189903","2020-10-21","18:00:00",""
"4344998","10.74","0.003","9.899","0.003","21.078","0.005","90","","118.678","0.011","90","","1966","1","293","2","293","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","Ag7 Pb P3 S12","","","- Ag7 P3 Pb S12 -","- Ag7 P3 Pb S12 -","- Ag28 P12 Pb4 S48 -","4","1","","Fan, Yu-Hang; Zeng, Hui-Yi; Jiang, Xiao-Ming; Zhang, Ming-Jian; Liu, Bin-Wen; Guo, Guo-Cong; Huang, Jin-Shun","Thiophosphates Containing Ag+ and Lone-Pair Cations with Interchiral Double Helix Show Both Ionic Conductivity and Phase Transition","Inorganic Chemistry","2017","","","","","10.1021/acs.inorgchem.6b02667","","","0.71073","MoKα","","0.05","0.0445","","","0.1415","0.1454","","","","","","1.046","","","","has coordinates","189903","2020-10-21","18:00:00",""
"4344999","15.7792","0.001","9.7493","0.0006","16.6251","0.0015","90","","92.118","0.003","90","","2555.8","0.3","153","","153","","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C31 H27 Ir N2 O2 S -","- C31 H27 Ir N2 O2 S -","- C124 H108 Ir4 N8 O8 S4 -","4","1","","Yao, Su-Yang; Chen, Xing-Yang; Ou, Yan-Ling; Ye, Bao-Hui","Chiral Recognition and Dynamic Thermodynamic Resolution of Sulfoxides by Chiral Iridium(III) Complexes","Inorganic Chemistry","2017","","","","","10.1021/acs.inorgchem.6b02494","","","0.71073","MoKα","","0.0528","0.0466","","","0.1009","0.1036","","","","","","1.012","","","","has coordinates","189905","2020-10-21","18:00:00",""
"4345000","9.4262","0.0003","15.5922","0.0007","17.577","0.0008","90","","90","","90","","2583.38","0.18","143","","143","","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C31 H28 Ir N2 O2 S -","- C31 H27 Ir N2 O2 S -","- C124 H108 Ir4 N8 O8 S4 -","4","1","","Yao, Su-Yang; Chen, Xing-Yang; Ou, Yan-Ling; Ye, Bao-Hui","Chiral Recognition and Dynamic Thermodynamic Resolution of Sulfoxides by Chiral Iridium(III) Complexes","Inorganic Chemistry","2017","","","","","10.1021/acs.inorgchem.6b02494","","","1.54178","CuKα","","0.0493","0.0439","","","0.117","0.1236","","","","","","1.114","","","","has coordinates","189905","2020-10-21","18:00:00",""
"4345001","9.41597","0.00013","15.5922","0.0002","17.5922","0.0003","90","","90","","90","","2582.81","0.07","150","","150","","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C31 H28 Ir N2 O2 S -","- C31 H27 Ir N2 O2 S -","- C124 H108 Ir4 N8 O8 S4 -","4","1","","Yao, Su-Yang; Chen, Xing-Yang; Ou, Yan-Ling; Ye, Bao-Hui","Chiral Recognition and Dynamic Thermodynamic Resolution of Sulfoxides by Chiral Iridium(III) Complexes","Inorganic Chemistry","2017","","","","","10.1021/acs.inorgchem.6b02494","","","1.54178","CuKα","","0.0227","0.0222","","","0.0563","0.0567","","","","","","1.073","","","","has coordinates","189905","2020-10-21","18:00:00",""
"4345002","8.7035","0.001","13.7761","0.0015","19.407","0.002","74.321","0.002","86.407","0.002","83.216","0.002","2223.5","0.4","296","2","296","2","","","","","","","","4","P -1","-P 1","2","","","","- C29 H22 N2 O -","- C29 H22 N2 O -","- C116 H88 N8 O4 -","4","2","","Wang, Dan; Li, Shu-Mu; Zheng, Jian-Quan; Kong, Duan-Yang; Zheng, Xiang-Jun; Fang, De-Cai; Jin, Lin-Pei","Coordination-Directed Stacking and Aggregation-Induced Emission Enhancement of the Zn(II) Schiff Base Complex.","Inorganic chemistry","2017","56","2","984","990","10.1021/acs.inorgchem.6b02784","","","0.71073","MoKα","","0.1096","0.0536","","","0.1167","0.147","","","","","","1.01","","","","has coordinates","191337","2020-10-21","18:00:00",""
"4345003","12.4104","0.001","14.5587","0.0012","15.0577","0.0012","112.147","0.001","93.025","0.002","110.657","0.002","2303.1","0.3","296","2","296","2","","","","","","","","5","P -1","-P 1","2","","","","- C58 H42 N4 O2 Zn -","- C58 H42 N4 O2 Zn -","- C116 H84 N8 O4 Zn2 -","2","1","","Wang, Dan; Li, Shu-Mu; Zheng, Jian-Quan; Kong, Duan-Yang; Zheng, Xiang-Jun; Fang, De-Cai; Jin, Lin-Pei","Coordination-Directed Stacking and Aggregation-Induced Emission Enhancement of the Zn(II) Schiff Base Complex.","Inorganic chemistry","2017","56","2","984","990","10.1021/acs.inorgchem.6b02784","","","0.71073","MoKα","","0.1076","0.0557","","","0.1194","0.1414","","","","","","1.024","","","","has coordinates","258458","2020-10-21","18:00:00",""
"4345004","5.1656","0.0002","8.5955","0.0003","9.7592","0.0004","102.89","0.003","98.888","0.003","91.217","0.003","416.63","0.03","173","2","173","2","","","","","","","","5","P -1","-P 1","2","","","","- C10 H26 O6 P2 Sn -","- C10 H26 O6 P2 Sn -","- C10 H26 O6 P2 Sn -","1","0.5","","Shankar, Ravi; Mendiratta, Swati; Singla, Nisha; Kociok-Köhn, Gabriele; Lutter, Michael; Jurkschat, Klaus","Reactivity of Elemental Tin and Zinc toward Organophosphonic Acid Dialkyl Esters: A New One-Pot Recipe for the Synthesis of Coordination Assemblies Derived from O-Alkylorganophosphonate Ligands.","Inorganic chemistry","2017","56","2","721","724","10.1021/acs.inorgchem.6b02789","","","0.71073","MoKα","","0.0154","0.0153","","","0.0537","0.0537","","","","","","1.513","","","","has coordinates","191339","2020-10-21","18:00:00",""
"4345005","9.8848","0.0003","17.298","0.0005","10.3074","0.0003","90","","97.515","0.003","90","","1747.3","0.09","150","2","150.01","0.1","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C10 H26 O6 P2 Sn -","- C10 H26 O6 P2 Sn -","- C40 H104 O24 P8 Sn4 -","4","1","","Shankar, Ravi; Mendiratta, Swati; Singla, Nisha; Kociok-Köhn, Gabriele; Lutter, Michael; Jurkschat, Klaus","Reactivity of Elemental Tin and Zinc toward Organophosphonic Acid Dialkyl Esters: A New One-Pot Recipe for the Synthesis of Coordination Assemblies Derived from O-Alkylorganophosphonate Ligands.","Inorganic chemistry","2017","56","2","721","724","10.1021/acs.inorgchem.6b02789","","x-ray","0.71073","MoKα","","0.0382","0.0298","","","0.0527","0.0557","","","","","","1.086","","","","has coordinates","191339","2020-10-21","18:00:00",""
"4345006","10.297","0.0005","11.2532","0.0004","27.4339","0.0011","86.383","0.003","82.411","0.004","64.325","0.004","2839.9","0.2","110","","110","","","","","","","","","6","P -1","-P 1","2","","","","- C38 H50 N2 O19 Rh S16 -","- C38 H50 N2 O19 Rh S16 -","- C76 H100 N4 O38 Rh2 S32 -","2","1","","Martin, Lee; Morritt, Alexander L.; Lopez, Jordan R.; Akutsu, Hiroki; Nakazawa, Yasuhiro; Imajo, Shusaku; Ihara, Yoshihiko","Ambient-pressure molecular superconductor with a superlattice containing layers of tris(oxalato)rhodate enantiomers and 18-crown-6.","Inorganic chemistry","2017","","","","","10.1021/acs.inorgchem.6b02708","","","0.71075","MoKα","","0.0531","0.0471","","","0.1175","0.1209","","","","","","1.104","","","","has coordinates,has disorder","189991","2020-10-21","18:00:00",""
"4345007","12.686","0.003","7.495","0.0015","11.485","0.002","90","","107.18","0.03","90","","1043.3","0.4","298","2","298","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- Ce Cs P2 S6 -","- Ce Cs P2 S6 -","- Ce4 Cs4 P8 S24 -","4","1","","Schoop, Leslie M.; Eger, Roland; Kremer, Reinhard K.; Kuhn, Alexander; Nuss, Jürgen; Lotsch, Bettina V.","Structural Stability Diagram of ALnP2S6 Compounds (A = Na, K, Rb, Cs; Ln = Lanthanide).","Inorganic chemistry","2017","56","3","1121","1131","10.1021/acs.inorgchem.6b02052","","","0.71073","MoKα","","0.0707","0.0519","","","0.1176","0.1243","","","","","","0.985","","","","has coordinates","193444","2020-10-21","18:00:00",""
"4345008","23.48","0.02","11.414","0.007","11.932","0.007","90","","120.189","0.005","90","","2764","3","293","","293","","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C28 H22 Gd N3 O10 -","- C28 H26 Gd N3 O10 -","- C112 H104 Gd4 N12 O40 -","4","0.5","","Wu, Ya-Pan; Xu, Guo-Wang; Dong, Wen-Wen; Zhao, Jun; Li, Dong-Sheng; Zhang, Jian; Bu, Xianhui","Anionic Lanthanide MOFs as a Platform for Iron-Selective Sensing, Systematic Color Tuning, and Efficient Nanoparticle Catalysis.","Inorganic chemistry","2017","56","3","1402","1411","10.1021/acs.inorgchem.6b02476","","","0.71073","MoKα","","0.0352","0.0322","","","0.088","0.1007","","","","","","1.145","","","","has coordinates","193439","2020-10-21","18:00:00",""
"4345009","13.813","0.004","17.028","0.003","24.472","0.003","90","","90","","90","","5756","2","180","2","180","2","","","","","","","","7","P b c a","-P 2ac 2ab","61","","","","- C32 H29 Cu I N2 O P -","- C32 H29 Cu I N2 O P -","- C256 H232 Cu8 I8 N16 O8 P8 -","8","1","","Zeng, Chao; Wang, Nan; Peng, Tai; Wang, Suning","Copper(I) Complexes Bearing 1,2-Phenyl-Bridged P(∧)N, P(∧)N(∧)P, and N(∧)P(∧)N Chelate Ligands: Structures and Phosphorescence.","Inorganic chemistry","2017","56","3","1616","1625","10.1021/acs.inorgchem.6b02721","","","0.71073","MoKα","","0.0621","0.0401","","","0.086","0.0933","","","","","","1.132","","","","has coordinates","193446","2020-10-21","18:00:00",""
"4345010","12.9985","0.0005","14.2479","0.0007","17.193","0.0007","90.606","0.004","98.018","0.003","100.938","0.004","3093.5","0.2","99.94","0.13","99.94","0.13","","","","","","","","6","P -1","-P 1","2","","","","- C20 H43 Cl4 Cu K O11 -","- C20 H41.816 Cl4 Cu K O11 -","- C80 H167.264 Cl16 Cu4 K4 O44 -","4","2","","Cai, Li-Zhen; Jiang, Xiao-Ming; Zhang, Zhang-Jing; Guo, Pei-Yu; Jin, Ai-Ping; Wang, Ming-Sheng; Guo, Guo-Cong","Reversible Single-Crystal-to-Single-Crystal Transformation and Magnetic Change of Nonporous Copper(II) Complexes by the Chemisorption/Desorption of HCl and H2O.","Inorganic chemistry","2017","56","3","1036","1040","10.1021/acs.inorgchem.6b02671","","","1.5418","CuKα","","0.108","0.0767","","","0.1673","0.1895","","","","","","0.932","","","","has coordinates,has disorder","193447","2020-10-21","18:00:00",""
"4345011","9.1017","0.0019","11.773","0.003","12.241","0.003","116.876","0.003","97.357","0.003","90.416","0.003","1157.2","0.5","296","2","296","2","","","","","","","","6","P -1","-P 1","2","","","","- C40 H64 Li2 N2 O12 Zn2 -","- C40 H64 Li2 N2 O12 Zn2 -","- C40 H64 Li2 N2 O12 Zn2 -","1","0.5","","Sapianik, Aleksandr A.; Zorina-Tikhonova, Ekaterina N; Kiskin, Mikhail A.; Samsonenko, Denis G.; Kovalenko, Konstantin A.; Sidorov, Alexey A.; Eremenko, Igor L.; Dybtsev, Danil N.; Blake, Alexander J.; Argent, Stephen P.; Schröder, Martin; Fedin, Vladimir P.","Rational Synthesis and Investigation of Porous Metal-Organic Framework Materials from a Preorganized Heterometallic Carboxylate Building Block.","Inorganic chemistry","2017","56","3","1599","1608","10.1021/acs.inorgchem.6b02713","","","0.71073","MoKα","","0.0678","0.0452","","","0.1132","0.1226","","","","","","1.078","","","","has coordinates","193438","2020-10-21","18:00:00",""
"4345012","17.0602","0.0009","18.8603","0.0009","16.9468","0.0011","90","","113.193","0.007","90","","5012.1","0.5","120","2","120","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C47 H47 Li2 N7 O15 Zn2 -","- C34 H20 Li2 N2 O12 Zn2 -","- C136 H80 Li8 N8 O48 Zn8 -","4","0.5","","Sapianik, Aleksandr A.; Zorina-Tikhonova, Ekaterina N; Kiskin, Mikhail A.; Samsonenko, Denis G.; Kovalenko, Konstantin A.; Sidorov, Alexey A.; Eremenko, Igor L.; Dybtsev, Danil N.; Blake, Alexander J.; Argent, Stephen P.; Schröder, Martin; Fedin, Vladimir P.","Rational Synthesis and Investigation of Porous Metal-Organic Framework Materials from a Preorganized Heterometallic Carboxylate Building Block.","Inorganic chemistry","2017","56","3","1599","1608","10.1021/acs.inorgchem.6b02713","","x-ray","1.54184","CuKα","","0.0523","0.0488","","","0.1326","0.1355","","","","","","1.041","","","","has coordinates","193438","2020-10-21","18:00:00",""
"4345013","17.8034","0.0009","18.4763","0.0007","17.1568","0.0009","90","","115.411","0.006","90","","5097.6","0.5","130","2","130","2","","","","","","","","7","C 1 2/c 1","-C 2yc","15","","","","- C40 H31 Br3 Li2 N4 O14 Zn2 -","- C34 H15 Br2.9992 Li2 N2 O12 Zn2 -","- C136 H60 Br11.9968 Li8 N8 O48 Zn8 -","4","0.5","","Sapianik, Aleksandr A.; Zorina-Tikhonova, Ekaterina N; Kiskin, Mikhail A.; Samsonenko, Denis G.; Kovalenko, Konstantin A.; Sidorov, Alexey A.; Eremenko, Igor L.; Dybtsev, Danil N.; Blake, Alexander J.; Argent, Stephen P.; Schröder, Martin; Fedin, Vladimir P.","Rational Synthesis and Investigation of Porous Metal-Organic Framework Materials from a Preorganized Heterometallic Carboxylate Building Block.","Inorganic chemistry","2017","56","3","1599","1608","10.1021/acs.inorgchem.6b02713","","x-ray","0.71073","MoKα","","0.0775","0.0606","","","0.1707","0.1805","","","","","","1.03","","","","has coordinates,has disorder","193438","2020-10-21","18:00:00",""
"4345014","17.5849","0.0009","18.506","0.0006","17.286","0.0008","90","","115.122","0.006","90","","5093.2","0.5","130","2","130","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C40 H31 Li2 N7 O20 Zn2 -","- C34 H12 Li2 N5 O18 Zn2 -","- C136 H48 Li8 N20 O72 Zn8 -","4","0.5","","Sapianik, Aleksandr A.; Zorina-Tikhonova, Ekaterina N; Kiskin, Mikhail A.; Samsonenko, Denis G.; Kovalenko, Konstantin A.; Sidorov, Alexey A.; Eremenko, Igor L.; Dybtsev, Danil N.; Blake, Alexander J.; Argent, Stephen P.; Schröder, Martin; Fedin, Vladimir P.","Rational Synthesis and Investigation of Porous Metal-Organic Framework Materials from a Preorganized Heterometallic Carboxylate Building Block.","Inorganic chemistry","2017","56","3","1599","1608","10.1021/acs.inorgchem.6b02713","","x-ray","0.71073","MoKα","","0.0663","0.0524","","","0.1478","0.1553","","","","","","1.044","","","","has coordinates,has disorder","193438","2020-10-21","18:00:00",""
"4345015","17.0298","0.0005","18.8904","0.0005","16.7611","0.0005","90","","112.447","0.004","90","","4983.5","0.3","130","2","130","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C39 H39 Li2 N7 O16 Zn2 -","- C37 H25 Li2 N6 O13.5 Zn2 -","- C148 H100 Li8 N24 O54 Zn8 -","4","0.5","","Sapianik, Aleksandr A.; Zorina-Tikhonova, Ekaterina N; Kiskin, Mikhail A.; Samsonenko, Denis G.; Kovalenko, Konstantin A.; Sidorov, Alexey A.; Eremenko, Igor L.; Dybtsev, Danil N.; Blake, Alexander J.; Argent, Stephen P.; Schröder, Martin; Fedin, Vladimir P.","Rational Synthesis and Investigation of Porous Metal-Organic Framework Materials from a Preorganized Heterometallic Carboxylate Building Block.","Inorganic chemistry","2017","56","3","1599","1608","10.1021/acs.inorgchem.6b02713","","x-ray","0.71073","MoKα","","0.0532","0.0452","","","0.1226","0.1287","","","","","","1.029","","","","has coordinates,has disorder","193438","2020-10-21","18:00:00",""
"4345016","7.9789","0.0004","12.2208","0.0005","11.6751","0.0005","90","","101.379","0.002","90","","1116.04","0.09","193","2","193","2","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C22 H27 Cl2 N2 O2 Rh -","- C22 H27 Cl2 N2 O2 Rh -","- C44 H54 Cl4 N4 O4 Rh2 -","2","1","","Ganesan, Vinothkumar; Sivanesan, Dharmalingam; Yoon, Sungho","Correlation between the Structure and Catalytic Activity of [Cp*Rh(Substituted Bipyridine)] Complexes for NADH Regeneration.","Inorganic chemistry","2017","56","3","1366","1374","10.1021/acs.inorgchem.6b02474","","","0.71073","MoKα","","0.0647","0.0486","","","0.1245","0.1399","","","","","","1.092","","","","has coordinates","193436","2020-10-21","18:00:00",""
"4345017","17.9947","0.0009","8.4463","0.0004","15.7807","0.0008","90","","90","","90","","2398.5","0.2","200","2","200","2","","","","","","","","6","P n n m","-P 2 2n","58","","","","- C22 H28 Cl2 N2 O2.5 Rh -","- C22 H28 Cl2 N2 O2.5 Rh -","- C88 H112 Cl8 N8 O10 Rh4 -","4","0.5","","Ganesan, Vinothkumar; Sivanesan, Dharmalingam; Yoon, Sungho","Correlation between the Structure and Catalytic Activity of [Cp*Rh(Substituted Bipyridine)] Complexes for NADH Regeneration.","Inorganic chemistry","2017","56","3","1366","1374","10.1021/acs.inorgchem.6b02474","","","0.71073","MoKα","","0.065","0.0505","","","0.1424","0.1775","","","","","","1.162","","","","has coordinates","193436","2020-10-21","18:00:00",""
"4345018","6.4319","0.0005","17.2466","0.0014","14.2006","0.0012","90","","95.5593","0.0009","90","","1567.8","0.2","100","2","100","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- Na4 O17 U -","- Na4 O17 U -","- Na16 O68 U4 -","4","1","","Dembowski, Mateusz; Bernales, Varinia; Qiu, Jie; Hickam, Sarah; Gaspar, Gabriel; Gagliardi, Laura; Burns, Peter C.","Computationally-Guided Assignment of Unexpected Signals in the Raman Spectra of Uranyl Triperoxide Complexes.","Inorganic chemistry","2017","56","3","1574","1580","10.1021/acs.inorgchem.6b02666","","","0.71073","MoKα","","0.0257","0.0213","","","0.0558","0.0577","","","","","","1.072","","","","has coordinates","193442","2020-10-21","18:00:00",""
"4345019","10.7051","0.001","7.7545","0.0007","15.3186","0.0015","90","","107.536","0.0008","90","","1212.5","0.2","100","2","100","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- K4 O12 U -","- K4 O12 U -","- K16 O48 U4 -","4","1","","Dembowski, Mateusz; Bernales, Varinia; Qiu, Jie; Hickam, Sarah; Gaspar, Gabriel; Gagliardi, Laura; Burns, Peter C.","Computationally-Guided Assignment of Unexpected Signals in the Raman Spectra of Uranyl Triperoxide Complexes.","Inorganic chemistry","2017","56","3","1574","1580","10.1021/acs.inorgchem.6b02666","","","0.71073","MoKα","","0.0189","0.0184","","","0.0487","0.049","","","","","","1.06","","","","has coordinates","193442","2020-10-21","18:00:00",""
"4345020","6.7097","0.0009","39.851","0.005","11.1171","0.0014","90","","101.426","0.0014","90","","2913.7","0.6","100","2","100","2","","","","","","","","3","P 1 21/m 1","-P 2yb","11","","","","- Mg6 O67 U3 -","- Mg6 O67 U3 -","- Mg12 O134 U6 -","2","0.5","","Dembowski, Mateusz; Bernales, Varinia; Qiu, Jie; Hickam, Sarah; Gaspar, Gabriel; Gagliardi, Laura; Burns, Peter C.","Computationally-Guided Assignment of Unexpected Signals in the Raman Spectra of Uranyl Triperoxide Complexes.","Inorganic chemistry","2017","56","3","1574","1580","10.1021/acs.inorgchem.6b02666","","","0.71073","MoKα","","0.0396","0.0321","","","0.0787","0.083","","","","","","1.061","","","","has coordinates","193442","2020-10-21","18:00:00",""
"4345021","12.582","0.004","12.239","0.004","9.776","0.003","90","","90","","90","","1505.4","0.8","100","2","100","2","","","","","","","","3","P n a 21","P 2c -2n","33","","","","- O17 Sr2 U -","- O17 Sr2 U -","- O68 Sr8 U4 -","4","1","","Dembowski, Mateusz; Bernales, Varinia; Qiu, Jie; Hickam, Sarah; Gaspar, Gabriel; Gagliardi, Laura; Burns, Peter C.","Computationally-Guided Assignment of Unexpected Signals in the Raman Spectra of Uranyl Triperoxide Complexes.","Inorganic chemistry","2017","56","3","1574","1580","10.1021/acs.inorgchem.6b02666","","","0.71073","MoKα","","0.044","0.0348","","","0.0803","0.0853","","","","","","1.039","","","","has coordinates","193442","2020-10-21","18:00:00",""
"4345022","10.4928","0.0002","12.018","0.0002","12.5401","0.0002","99.532","0.001","114.283","0.001","91.442","0.001","1413.86","0.04","150","2","150","2","","","","","","","","6","P -1","-P 1","2","","","","- C62 H66 Mo2 N2 O4 S2 -","- C62 H66 Mo2 N2 O4 S2 -","- C62 H66 Mo2 N2 O4 S2 -","1","0.5","","Jiang, Changcheng; Young, Philip J.; Brown-Xu, Samantha; Gallucci, Judith C.; Chisholm, Malcolm H.","Femtosecond Study of Dimolybdenum Paddlewheel Compounds with Amide/Thioamide Ligands: Symmetry, Electronic Structure, and Charge Distribution in the (1)MLCT S1 State.","Inorganic chemistry","2017","56","3","1433","1445","10.1021/acs.inorgchem.6b02517","","x-ray","0.71073","MoKα","","0.052","0.035","","","0.0787","0.0856","","","","","","1.086","","","","has coordinates","193456","2020-10-21","18:00:00",""
"4345025","9.4946","0.0003","15.339","0.0006","25.346","0.0011","90","","100.172","0.0019","90","","3633.3","0.2","150","","150","","","","","","","","","8","P 1 21 1","P 2yb","4","","","","- C79 H71 B2 Cu2 F8 N3 O2 P4 -","- C79 H71 B2 Cu2 F8 N3 O2 P4 -","- C158 H142 B4 Cu4 F16 N6 O4 P8 -","2","1","","Kobayashi, Atsushi; Arata, Ryuya; Ogawa, Tomohiro; Yoshida, Masaki; Kato, Masako","Effect of Water Coordination on Luminescent Properties of Pyrazine-Bridged Dinuclear Cu(I) Complexes","Inorganic Chemistry","2017","","","","","10.1021/acs.inorgchem.6b02578","","","0.71075","MoKα","","0.0574","0.0456","","","0.0778","0.0841","","","","","","1.031","","","","has coordinates","190444","2020-10-21","18:00:00",""
"4345026","9.489","","14.883","","25.41","","90","","90.237","","90","","3588.49","","150","","150","","","","","","","","","8","P 1 21/n 1","-P 2yn","14","","","","- C77 H70 B2 Cu2 F8 N2 O3 P4 -","- C77 H65 B2 Cu2 F8 N2 O3 P4 -","- C154 H130 B4 Cu4 F16 N4 O6 P8 -","2","0.5","","Kobayashi, Atsushi; Arata, Ryuya; Ogawa, Tomohiro; Yoshida, Masaki; Kato, Masako","Effect of Water Coordination on Luminescent Properties of Pyrazine-Bridged Dinuclear Cu(I) Complexes","Inorganic Chemistry","2017","","","","","10.1021/acs.inorgchem.6b02578","","","0.71075","MoKα","","0.093","0.0619","","","0.1709","0.1904","","","","","","1.011","","","","has coordinates","190444","2020-10-21","18:00:00",""
"4345027","11.2324","0.0004","11.2324","0.0004","27.4564","0.0012","90","","90","","120","","3000","0.2","100","2","100","2","","","","","","","","6","P 61","P 61","169","","","","- C20 H20 Cl N2 O5 Re -","- C20 H20 Cl N2 O5 Re -","- C120 H120 Cl6 N12 O30 Re6 -","6","1","","Liu, Jinyong; Su, Xiaoge; Han, Mengwei; Wu, Dimao; Gray, Danielle L.; Shapley, John R.; Werth, Charles J.; Strathmann, Timothy J.","Ligand Design for Isomer-Selective Oxorhenium(V) Complex Synthesis.","Inorganic chemistry","2017","56","3","1757","1769","10.1021/acs.inorgchem.6b03076","","","0.71073","MoKα","","0.0236","0.0214","","","0.047","0.0476","","","","","","1.209","","","","has coordinates,has disorder","193455","2020-10-21","18:00:00",""
"4345028","13.9014","0.0007","6.8299","0.0003","15.2612","0.0008","90","","91.4735","0.0018","90","","1448.5","0.12","100","2","100","2","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C32 H28 Cl N2 O5 Re -","- C32 H28 Cl N2 O5 Re -","- C64 H56 Cl2 N4 O10 Re2 -","2","1","","Liu, Jinyong; Su, Xiaoge; Han, Mengwei; Wu, Dimao; Gray, Danielle L.; Shapley, John R.; Werth, Charles J.; Strathmann, Timothy J.","Ligand Design for Isomer-Selective Oxorhenium(V) Complex Synthesis.","Inorganic chemistry","2017","56","3","1757","1769","10.1021/acs.inorgchem.6b03076","","","0.71073","MoKα","","0.025","0.0232","","","0.0546","0.0557","","","","","","1.212","","","","has coordinates,has disorder","193455","2020-10-21","18:00:00",""
"4345029","7.953","0.0006","15.1091","0.0012","16.3803","0.0012","90","","90","","90","","1968.3","0.3","193","2","193","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C20 H20 Cl N2 O5 Re -","- C20 H20 Cl N2 O5 Re -","- C80 H80 Cl4 N8 O20 Re4 -","4","1","","Liu, Jinyong; Su, Xiaoge; Han, Mengwei; Wu, Dimao; Gray, Danielle L.; Shapley, John R.; Werth, Charles J.; Strathmann, Timothy J.","Ligand Design for Isomer-Selective Oxorhenium(V) Complex Synthesis.","Inorganic chemistry","2017","56","3","1757","1769","10.1021/acs.inorgchem.6b03076","","","0.71073","MoKα","","0.0289","0.0258","","","0.0574","0.0588","","","","","","1.033","","","","has coordinates","193455","2020-10-21","18:00:00",""
"4345030","8.639","0.002","27.25","0.006","12.714","0.003","90","","104.098","0.004","90","","2902.9","1.2","296","2","296.15","","","","","","","","","8","P 1 21/c 1","-P 2ybc","14","","","","- C22 H20 F3 Mn N5 O6 P S -","- C22 H20 F3 Mn N5 O6 P S -","- C88 H80 F12 Mn4 N20 O24 P4 S4 -","4","1","","Chakraborty, Indranil; Carrington, Samantha J.; Roseman, Graham; Mascharak, Pradip K.","Synthesis, Structures, and CO Release Capacity of a Family of Water-Soluble PhotoCORMs: Assessment of the Biocompatibility and Their Phototoxicity toward Human Breast Cancer Cells.","Inorganic chemistry","2017","56","3","1534","1545","10.1021/acs.inorgchem.6b02623","","","0.71073","MoKα","","0.1139","0.0711","","","0.2009","0.2215","","","","","","1.091","","","","has coordinates","193443","2020-10-21","18:00:00",""
"4345031","13.019","0.002","16.084","0.003","25.409","0.004","90","","90","","90","","5320.6","1.5","273","2","273.15","","","","","","","","","8","P b c a","-P 2ac 2ab","61","","","","- C22 H20 F3 N5 O6 P Re S2 -","- C22 H20 F3 N5 O6 P Re S2 -","- C176 H160 F24 N40 O48 P8 Re8 S16 -","8","1","","Chakraborty, Indranil; Carrington, Samantha J.; Roseman, Graham; Mascharak, Pradip K.","Synthesis, Structures, and CO Release Capacity of a Family of Water-Soluble PhotoCORMs: Assessment of the Biocompatibility and Their Phototoxicity toward Human Breast Cancer Cells.","Inorganic chemistry","2017","56","3","1534","1545","10.1021/acs.inorgchem.6b02623","","","0.71073","MoKα","","0.0755","0.0432","","","0.0935","0.1055","","","","","","1.011","","","","has coordinates","193443","2020-10-21","18:00:00",""
"4345032","8.7315","0.0007","27.702","0.002","12.6824","0.001","90","","103.92","0.001","90","","2977.5","0.4","273","2","273.15","","","","","","","","","8","P 1 21/c 1","-P 2ybc","14","","","","- C22 H21 F3 N5 O6 P Re S -","- C22 H21 F3 N5 O6 P Re S -","- C88 H84 F12 N20 O24 P4 Re4 S4 -","4","1","","Chakraborty, Indranil; Carrington, Samantha J.; Roseman, Graham; Mascharak, Pradip K.","Synthesis, Structures, and CO Release Capacity of a Family of Water-Soluble PhotoCORMs: Assessment of the Biocompatibility and Their Phototoxicity toward Human Breast Cancer Cells.","Inorganic chemistry","2017","56","3","1534","1545","10.1021/acs.inorgchem.6b02623","","","0.71073","MoKα","","0.0648","0.0513","","","0.1491","0.1571","","","","","","1.063","","","","has coordinates","193443","2020-10-21","18:00:00",""
"4345033","13.0128","0.0018","16.073","0.002","25.214","0.004","90","","90","","90","","5273.6","1.3","296","2","296.15","","","","","","","","","8","P b c a","-P 2ac 2ab","61","","","","- C22 H20 F3 Mn N5 O6 P S2 -","- C22 H20 F3 Mn N5 O6 P S2 -","- C176 H160 F24 Mn8 N40 O48 P8 S16 -","8","1","","Chakraborty, Indranil; Carrington, Samantha J.; Roseman, Graham; Mascharak, Pradip K.","Synthesis, Structures, and CO Release Capacity of a Family of Water-Soluble PhotoCORMs: Assessment of the Biocompatibility and Their Phototoxicity toward Human Breast Cancer Cells.","Inorganic chemistry","2017","56","3","1534","1545","10.1021/acs.inorgchem.6b02623","","","0.71073","MoKα","","0.0803","0.0451","","","0.0863","0.0993","","","","","","1.021","","","","has coordinates","193443","2020-10-21","18:00:00",""
"4345034","20.9505","0.0009","12.6441","0.0006","24.9325","0.001","90","","99.889","0.003","90","","6506.5","0.5","100","2","100","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C76 H64 Br Cu N2 S -","- C76 H64 Br Cu N2 S -","- C304 H256 Br4 Cu4 N8 S4 -","4","1","","Parvin, Nasrina; Pal, Shiv; Khan, Shabana; Das, Shubhajit; Pati, Swapan K.; Roesky, Herbert W.","Unique Approach to Copper(I) Silylene Chalcogenone Complexes.","Inorganic chemistry","2017","56","3","1706","1712","10.1021/acs.inorgchem.6b02833","","","0.71073","MoKα","","0.146","0.1268","","","0.3083","0.3216","","","","","","1.161","","","","has coordinates","193445","2020-10-21","18:00:00",""
"4345035","12.601","0.006","15.542","0.007","16.027","0.007","74.564","0.01","70.05","0.01","81.531","0.011","2838","2","150","2","150","2","","","","","","","","4","P -1","-P 1","2","","","","- C76 H64 N2 S -","- C76 H64 N2 S -","- C152 H128 N4 S2 -","2","1","","Parvin, Nasrina; Pal, Shiv; Khan, Shabana; Das, Shubhajit; Pati, Swapan K.; Roesky, Herbert W.","Unique Approach to Copper(I) Silylene Chalcogenone Complexes.","Inorganic chemistry","2017","56","3","1706","1712","10.1021/acs.inorgchem.6b02833","","","0.71073","MoKα","","0.2937","0.0992","","","0.1735","0.2639","","","","","","0.973","","","","has coordinates","193445","2020-10-21","18:00:00",""
"4345036","14.1508","0.0005","14.1508","0.0005","14.1508","0.0005","90","","90","","90","","2833.63","0.17","100","1","100","1","","","","","","","","7","P 21 3","P 2ac 2ab 3","198","","","","- C19 H39 Cl Co N2 O4 S4 -","- C19 H39 Cl Co N2 O4 S4 -","- C76 H156 Cl4 Co4 N8 O16 S16 -","4","0.333333","","Shao, Feng; Cahier, Benjamin; Rivière, Eric; Guillot, Régis; Guihéry, Nathalie; Campbell, Victoria E.; Mallah, Talal","Structural Dependence of the Ising-type Magnetic Anisotropy and of the Relaxation Time in Mononuclear Trigonal Bipyramidal Co(II) Single Molecule Magnets.","Inorganic chemistry","2017","56","3","1104","1111","10.1021/acs.inorgchem.6b01966","","x-ray","0.71073","MoKα","","0.0538","0.0493","","","0.1176","0.1197","","","","","","1.115","","","","has coordinates","193460","2020-10-21","18:00:00",""
"4345040","11.634","0.002","8.1814","0.0016","15.62","0.003","90","","90","","90","","1486.7","0.5","110","2","110","2","","","","","","","","5","P m n 21","P 2ac -2","31","Tetraethylammonium Tricyano[tris(3,5-dimethylpyrazol-1-yl)hydroborate]Titanium(III)","","","- C26 H42 B N10 Ti -","- C26 H42 B N10 Ti -","- C52 H84 B2 N20 Ti2 -","2","0.5","","Brown, Andrew; Saber, Mohamed; Van den Heuvel, Willem; Schulte, Kelsey; Soncini, Alessandro; Dunbar, Kim R.","Titanium(III) Member of the Family of Trigonal Building Blocks with Scorpionate and Cyanide Ligands.","Inorganic chemistry","2017","56","3","1031","1035","10.1021/acs.inorgchem.6b02643","","","0.71073","MoKα","","0.0268","0.0257","","","0.0714","0.0722","","","","","","1.052","","","","has coordinates","193457","2020-10-21","18:00:00",""
"4345041","11.9841","0.0007","12.9122","0.0007","14.8689","0.0008","68.6652","0.0007","87.4545","0.0008","69.8767","0.0007","2003.73","0.19","88","2","88","2","","","","","","","","7","P -1","-P 1","2","","","","- C31 H58 Co K2 N8 O7 S -","- C31 H58 Co K2 N8 O7 S -","- C62 H116 Co2 K4 N16 O14 S2 -","2","1","","Jones, Jason R.; Ziller, Joseph W.; Borovik, A. S.","Modulating the Primary and Secondary Coordination Spheres within a Series of Co(II)-OH Complexes.","Inorganic chemistry","2017","56","3","1112","1120","10.1021/acs.inorgchem.6b01956","","","0.71073","MoKα","","0.0497","0.0378","","","0.0882","0.0942","","","","","","1.024","","","","has coordinates","193459","2020-10-21","18:00:00",""
"4345042","19.4569","0.0014","32.796","0.002","18.3948","0.0013","90","","111.204","0.0009","90","","10943.2","1.3","88","2","88","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C81 H102 Co3 K6 N12 O21 S9 -","- C81 H102 Co3 K6 N12 O21 S9 -","- C324 H408 Co12 K24 N48 O84 S36 -","4","1","","Jones, Jason R.; Ziller, Joseph W.; Borovik, A. S.","Modulating the Primary and Secondary Coordination Spheres within a Series of Co(II)-OH Complexes.","Inorganic chemistry","2017","56","3","1112","1120","10.1021/acs.inorgchem.6b01956","","","0.71073","MoKα","","0.0973","0.0821","","","0.2025","0.2138","","","","","","1.058","","","","has coordinates,has disorder","193459","2020-10-21","18:00:00",""
"4345043","5.4593","0.0005","6.3761","0.0006","17.7415","0.0017","93.204","0.0009","91.7556","0.0009","102.199","0.0009","602.11","0.1","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C22 H18 N6 O10 Zn -","- C22 H18 N6 O10 Zn -","- C22 H18 N6 O10 Zn -","1","0.5","","Feng, Xun; Feng, Yuquan; Guo, Nan; Sun, Yiling; Zhang, Tian; Ma, Lufang; Wang, Liya","Series d-f Heteronuclear Metal-Organic Frameworks: Color Tunability and Luminescent Probe with Switchable Properties.","Inorganic chemistry","2017","56","3","1713","1721","10.1021/acs.inorgchem.6b02851","","","0.71073","MoKα","","0.0563","0.0554","","","0.1473","0.1478","","","","","","1.193","","","","has coordinates","193453","2020-10-21","18:00:00",""
"4345044","16.1437","0.0009","33.5774","0.0019","16.8582","0.001","90","","90","","90","","9138.2","0.9","293","2","293","2","","","","","","","","6","P n m a","-P 2ac 2n","62","","","","- C71 H72 N21 Nd3 O38 Zn6 -","- C62 H51 N18 Nd3 O35 Zn6 -","- C248 H204 N72 Nd12 O140 Zn24 -","4","0.5","","Feng, Xun; Feng, Yuquan; Guo, Nan; Sun, Yiling; Zhang, Tian; Ma, Lufang; Wang, Liya","Series d-f Heteronuclear Metal-Organic Frameworks: Color Tunability and Luminescent Probe with Switchable Properties.","Inorganic chemistry","2017","56","3","1713","1721","10.1021/acs.inorgchem.6b02851","","","0.71073","MoKα","","0.0725","0.0559","","","0.1558","0.1739","","","","","","1.05","","","","has coordinates,has disorder","193453","2020-10-21","18:00:00",""
"4345045","13.531","0.0004","15.7064","0.0004","15.8985","0.0004","90","","90","","90","","3378.8","0.16","150","","150","","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C34 H31 Cu Dy N6 O10 -","- C34 H31 Cu Dy N6 O10 -","- C136 H124 Cu4 Dy4 N24 O40 -","4","1","","Ueno, Takahiro; Fujinami, Takeshi; Matsumoto, Naohide; Furusawa, Masaki; Irie, Ryo; Re, Nazzareno; Kanetomo, Takuya; Ishida, Takayuki; Sunatsuki, Yukinari","Circular and Chainlike Copper(II)-Lanthanide(III) Complexes Generated by Assembly Reactions of Racemic and Chiral Copper(II) Cross-Linking Ligand Complexes with Ln(III)(NO3)3·6H2O (Ln(III) = Gd(III), Tb(III), Dy(III)).","Inorganic chemistry","2017","56","3","1679","1695","10.1021/acs.inorgchem.6b02668","","","0.71075","MoKα","","","0.0414","","","","0.0813","","","","","","0.913","","","","has coordinates","193437","2020-10-21","18:00:00",""
"4345046","17.2573","0.0007","13.7983","0.0005","23.6297","0.0008","90","","90","","90","","5626.7","0.4","150","","150","","","","","","","","","6","P b c a","-P 2ac 2ab","61","","","","- C32 H28 Cu N3 Na O4 -","- C32 H28 Cu N3 Na O4 -","- C256 H224 Cu8 N24 Na8 O32 -","8","1","","Ueno, Takahiro; Fujinami, Takeshi; Matsumoto, Naohide; Furusawa, Masaki; Irie, Ryo; Re, Nazzareno; Kanetomo, Takuya; Ishida, Takayuki; Sunatsuki, Yukinari","Circular and Chainlike Copper(II)-Lanthanide(III) Complexes Generated by Assembly Reactions of Racemic and Chiral Copper(II) Cross-Linking Ligand Complexes with Ln(III)(NO3)3·6H2O (Ln(III) = Gd(III), Tb(III), Dy(III)).","Inorganic chemistry","2017","56","3","1679","1695","10.1021/acs.inorgchem.6b02668","","","0.71075","MoKα","","","0.0559","","","","0.0892","","","","","","1.061","","","","has coordinates","193437","2020-10-21","18:00:00",""
"4345047","9.1079","0.0005","12.6756","0.0007","13.7264","0.0008","81.6869","0.0016","83.9938","0.0016","71.6457","0.0013","1485.32","0.14","150","","150","","","","","","","","","6","P -1","-P 1","2","","","","- C30 H25 Cu Gd N4 O10 -","- C30 H25 Cu Gd N4 O10 -","- C60 H50 Cu2 Gd2 N8 O20 -","2","1","","Ueno, Takahiro; Fujinami, Takeshi; Matsumoto, Naohide; Furusawa, Masaki; Irie, Ryo; Re, Nazzareno; Kanetomo, Takuya; Ishida, Takayuki; Sunatsuki, Yukinari","Circular and Chainlike Copper(II)-Lanthanide(III) Complexes Generated by Assembly Reactions of Racemic and Chiral Copper(II) Cross-Linking Ligand Complexes with Ln(III)(NO3)3·6H2O (Ln(III) = Gd(III), Tb(III), Dy(III)).","Inorganic chemistry","2017","56","3","1679","1695","10.1021/acs.inorgchem.6b02668","","","0.71075","MoKα","","","0.0485","","","","0.0962","","","","","","1","","","","has coordinates","193437","2020-10-21","18:00:00",""
"4345048","25.5559","0.0018","18.5893","0.0013","18.6003","0.0014","90","","90","","90","","8836.4","1.1","123","2","123","2","","","","","","","","7","C m c e","-C 2ac 2","64","","","","- C24 H38 Cl4 F12 N8 O5 Tm -","- C24 H38 Cl4 F12 N8 O5 Tm -","- C192 H304 Cl32 F96 N64 O40 Tm8 -","8","0.5","","Srivastava, Kriti; Weitz, Evan A.; Peterson, Katie L.; Marjańska, Małgorzata; Pierre, Valérie C","Fe- and Ln-DOTAm-F12 Are Effective Paramagnetic Fluorine Contrast Agents for MRI in Water and Blood.","Inorganic chemistry","2017","56","3","1546","1557","10.1021/acs.inorgchem.6b02631","","","1.54178","CuKα","","0.0711","0.0635","","","0.1853","0.1928","","","","","","1.083","","","","has coordinates","193452","2020-10-21","18:00:00",""
"4345049","9.3369","0.0019","25.001","0.006","4.1165","0.0008","90","","90","","90","","960.9","0.4","538","","538","","5000","","","","","","","3","C m c m","-C 2c 2","63","","","","- D0.53 Ge Sr -","- D0.5275 Ge Sr -","- D8.44 Ge16 Sr16 -","16","1","","Auer, Henry; Wallacher, Dirk; Hansen, Thomas Christian; Kohlmann, Holger","In Situ Hydrogenation of the Zintl Phase SrGe.","Inorganic chemistry","2017","56","3","1072","1079","10.1021/acs.inorgchem.6b01945","powder diffraction","","1.86727","neutron","","","","","","","","","8.6563","2.17","","","","","","","has coordinates","193454","2020-10-21","18:00:00",""
"4345050","12.1729","0.0005","15.8007","0.0006","13.4968","0.0005","90","","93.481","0.002","90","","2591.19","0.17","100","2","100","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","bmkxr50","","","- C54 H78 N6 Nb2 -","- C54 H78 N6 Nb2 -","- C108 H156 N12 Nb4 -","2","0.5","","Kriegel, Benjamin M.; Naested, Lara C. E.; Nocton, Grégory; Lakshmi, K. V.; Lohrey, Trevor D.; Bergman, Robert G.; Arnold, John","Redox-Initiated Reactivity of Dinuclear β-Diketiminatoniobium Imido Complexes.","Inorganic chemistry","2017","56","3","1626","1637","10.1021/acs.inorgchem.6b02735","","","0.71073","MoKα","","0.0619","0.0421","","","0.0979","0.1094","","","","","","1.021","","","","has coordinates","193449","2020-10-21","18:00:00",""
"4345051","19.6714","0.0006","13.6781","0.0004","20.0479","0.0006","90","","92.016","0.002","90","","5390.9","0.3","100","2","100","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","bmkxr73","","","- C57 H83 N6 Nb2 O0 -","- C57 H83 N6 Nb2 -","- C228 H332 N24 Nb8 -","4","1","","Kriegel, Benjamin M.; Naested, Lara C. E.; Nocton, Grégory; Lakshmi, K. V.; Lohrey, Trevor D.; Bergman, Robert G.; Arnold, John","Redox-Initiated Reactivity of Dinuclear β-Diketiminatoniobium Imido Complexes.","Inorganic chemistry","2017","56","3","1626","1637","10.1021/acs.inorgchem.6b02735","","","0.71073","MoKα","","0.0961","0.0571","","","0.1218","0.1363","","","","","","1.043","","","","has coordinates,has disorder","193449","2020-10-21","18:00:00",""
"4345052","29.313","0.0018","16.0203","0.0009","17.5435","0.0012","90","","100.729","0.003","90","","8094.5","0.9","100","2","100","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","bmkxr59","","","- C83.75 H90.25 B F20 N6 Nb2 O1.75 -","- C83.85 H90.2 B F20 N6 Nb2 O1.65 -","- C335.4 H360.8 B4 F80 N24 Nb8 O6.6 -","4","1","","Kriegel, Benjamin M.; Naested, Lara C. E.; Nocton, Grégory; Lakshmi, K. V.; Lohrey, Trevor D.; Bergman, Robert G.; Arnold, John","Redox-Initiated Reactivity of Dinuclear β-Diketiminatoniobium Imido Complexes.","Inorganic chemistry","2017","56","3","1626","1637","10.1021/acs.inorgchem.6b02735","","","0.71073","MoKα","","0.0647","0.0418","","","0.0909","0.1004","","","","","","1.014","","","","has coordinates,has disorder","193449","2020-10-21","18:00:00",""
"4345053","11.6055","0.0005","25.6882","0.0011","9.5984","0.0004","90","","98.73","0.001","90","","2828.4","0.2","100","2","100","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","LN38","","","- C29 H44 N3 Nb -","- C29 H44 N3 Nb -","- C116 H176 N12 Nb4 -","4","1","","Kriegel, Benjamin M.; Naested, Lara C. E.; Nocton, Grégory; Lakshmi, K. V.; Lohrey, Trevor D.; Bergman, Robert G.; Arnold, John","Redox-Initiated Reactivity of Dinuclear β-Diketiminatoniobium Imido Complexes.","Inorganic chemistry","2017","56","3","1626","1637","10.1021/acs.inorgchem.6b02735","","","0.71073","MoKα","","0.0399","0.0332","","","0.082","0.0875","","","","","","1.101","","","","has coordinates","193449","2020-10-21","18:00:00",""
"4345054","15.622","0.002","4.1113","0.0007","4.4732","0.0007","90","","90","","90","","287.3","0.08","297","2","297","2","","","","","","","","3","P n m a","-P 2ac 2n","62","","","","- Ba D1.86 Si -","- Ba D1.862 Si -","- Ba4 D7.448 Si4 -","4","0.5","","Auer, Henry; Guehne, Robin; Bertmer, Marko; Weber, Sebastian; Wenderoth, Patrick; Hansen, Thomas Christian; Haase, Jürgen; Kohlmann, Holger","Hydrides of Alkaline Earth-Tetrel (AeTt) Zintl Phases: Covalent Tt-H Bonds from Silicon to Tin.","Inorganic chemistry","2017","56","3","1061","1071","10.1021/acs.inorgchem.6b01944","powder diffraction","","2.41539","neutron","","","","","","","","","6.2916","2.36","","","","","","","has coordinates","193441","2020-10-21","18:00:00",""
"4345055","19.377","0.003","19.377","0.003","19.81","0.004","90","","90","","120","","6441.5","1.9","293.15","","293.15","","","","","","","","","6","R -3","-R 3","148","","","","- C48 H24 Cd6 N12 O30 S7 -","- C48 H18 Cd6 N12 O30 S7 -","- C144 H54 Cd18 N36 O90 S21 -","3","","","Cheng, Qing; Han, Xiao; Tong, Yue; Huang, Chao; Ding, Jie; Hou, Hongwei","Two 3D Cd(II) Metal-Organic Frameworks Linked by Benzothiadiazole Dicarboxylates: Fantastic S@Cd6 Cage, Benzothiadiazole Antidimmer, and Dual Emission.","Inorganic chemistry","2017","56","3","1696","1705","10.1021/acs.inorgchem.6b02863","","","0.71073","MoKα","","0.0447","0.0401","","","0.1017","0.105","","","","","","1.116","","","","has coordinates","193451","2020-10-21","18:00:00",""
"4345056","13.2214","0.0006","13.1233","0.0006","23.7269","0.0011","90","","92.663","0.002","90","","4112.4","0.3","90","2","90","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C42 H67 Ga N2 O4 -","- C42 H67 Ga N2 O4 -","- C168 H268 Ga4 N8 O16 -","4","1","","Kremer, Alexandre B.; Andrews, Ryan J.; Milner, Matthew J.; Zhang, Xu R.; Ebrahimi, Tannaz; Patrick, Brian O.; Diaconescu, Paula L.; Mehrkhodavandi, Parisa","A Comparison of Gallium and Indium Alkoxide Complexes as Catalysts for Ring-Opening Polymerization of Lactide.","Inorganic chemistry","2017","56","3","1375","1385","10.1021/acs.inorgchem.6b02433","","x-ray","0.71073","MoKα","","0.0616","0.0423","","","0.1019","0.1122","","","","","","1.021","","","","has coordinates,has disorder","193450","2020-10-21","18:00:00",""
"4345057","25.2656","0.0014","8.7602","0.0005","22.4718","0.0011","90","","116.298","0.003","90","","4459","0.4","90","","90","","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C20 H35 Cl2 Ga N2 O -","- C20 H35 Cl2 Ga N2 O -","- C160 H280 Cl16 Ga8 N16 O8 -","8","2","","Kremer, Alexandre B.; Andrews, Ryan J.; Milner, Matthew J.; Zhang, Xu R.; Ebrahimi, Tannaz; Patrick, Brian O.; Diaconescu, Paula L.; Mehrkhodavandi, Parisa","A Comparison of Gallium and Indium Alkoxide Complexes as Catalysts for Ring-Opening Polymerization of Lactide.","Inorganic chemistry","2017","56","3","1375","1385","10.1021/acs.inorgchem.6b02433","","","0.71073","MoKα","","0.042","0.0314","","","0.0701","0.0736","","","","","","1.022","","","","has coordinates","193450","2020-10-21","18:00:00",""
"4345058","10.4391","0.001","17.9407","0.0016","12.9885","0.0012","90","","92.392","0.002","90","","2430.4","0.4","90","","90","","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C23 H39 Cl2 Ga N2 O -","- C23 H39 Cl2 Ga N2 O -","- C92 H156 Cl8 Ga4 N8 O4 -","4","1","","Kremer, Alexandre B.; Andrews, Ryan J.; Milner, Matthew J.; Zhang, Xu R.; Ebrahimi, Tannaz; Patrick, Brian O.; Diaconescu, Paula L.; Mehrkhodavandi, Parisa","A Comparison of Gallium and Indium Alkoxide Complexes as Catalysts for Ring-Opening Polymerization of Lactide.","Inorganic chemistry","2017","56","3","1375","1385","10.1021/acs.inorgchem.6b02433","","x-ray","0.71073","MoKα","","0.0293","0.0239","","","0.0577","0.0597","","","","","","1.035","","","","has coordinates","193450","2020-10-21","18:00:00",""
"4345059","13.7473","0.0007","16.7022","0.0008","12.3646","0.0006","90","","106.037","0.003","90","","2728.6","0.2","90","","90","","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C27 H42 Cl Ga N2 O2 -","- C27 H42 Cl Ga N2 O2 -","- C108 H168 Cl4 Ga4 N8 O8 -","4","1","","Kremer, Alexandre B.; Andrews, Ryan J.; Milner, Matthew J.; Zhang, Xu R.; Ebrahimi, Tannaz; Patrick, Brian O.; Diaconescu, Paula L.; Mehrkhodavandi, Parisa","A Comparison of Gallium and Indium Alkoxide Complexes as Catalysts for Ring-Opening Polymerization of Lactide.","Inorganic chemistry","2017","56","3","1375","1385","10.1021/acs.inorgchem.6b02433","","","0.71073","MoKα","","0.0412","0.0327","","","0.114","0.1224","","","","","","0.936","","","","has coordinates","193450","2020-10-21","18:00:00",""
"4345060","11.723","0.002","23.448","0.004","12.93","0.002","90","","116.168","0.0015","90","","3189.9","0.9","298","2","298","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C32 H66 Cl4 Co7 N16 O28 -","- C32 H66 Cl4 Co7 N16 O28 -","- C64 H132 Cl8 Co14 N32 O56 -","2","0.5","","Xu, Jia-Heng; Guo, Ling-Yu; Su, Hai-Feng; Gao, Xiang; Wu, Xiao-Fan; Wang, Wen-Guang; Tung, Chen-Ho; Sun, Di","Heptanuclear Co(II)5Co(III)2 Cluster as Efficient Water Oxidation Catalyst.","Inorganic chemistry","2017","56","3","1591","1598","10.1021/acs.inorgchem.6b02698","","","0.71","MoKα","","0.0711","0.0556","","","0.1536","0.1702","","","","","","1.03","","","","has coordinates","193440","2020-10-21","18:00:00",""
"4345061","9.2274","0.0009","23.952","0.002","10.443","0.001","90","","114.979","0.003","90","","2092.2","0.3","180","2","180","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C24 H32 O29 P8 Y2 -","- C24 H26 O29 P8 Y2 -","- C48 H52 O58 P16 Y4 -","2","0.5","","Firmino, Ana D. G.; Mendes, Ricardo F.; Antunes, Margarida M.; Barbosa, Paula C.; Vilela, Sérgio M F; Valente, Anabela A.; Figueiredo, Filipe M. L.; Tomé, João P C; Paz, Filipe A Almeida","Robust Multifunctional Yttrium-Based Metal-Organic Frameworks with Breathing Effect.","Inorganic chemistry","2017","56","3","1193","1208","10.1021/acs.inorgchem.6b02199","","","0.71073","MoKα","","0.1227","0.064","","","0.0969","0.1141","","","","","","1.046","","","","has coordinates","193461","2020-10-21","18:00:00",""
"4345062","12.0551","0.0007","14.0115","0.0008","23.6059","0.0013","90","","90","","90","","3987.3","0.4","173","2","173","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C36 H50 B2 F11 Fe2 N8 -","- C36 H50 B2 F11 Fe2 N8 -","- C144 H200 B8 F44 Fe8 N32 -","4","1","","Dammers, Susanne; Zimmermann, Thomas Philipp; Walleck, Stephan; Stammler, Anja; Bögge, Hartmut; Bill, Eckhard; Glaser, Thorsten","A Mixed-Valence Fluorido-Bridged Fe(II)Fe(III) Complex.","Inorganic chemistry","2017","56","4","1779","1782","10.1021/acs.inorgchem.6b03093","","","0.71073","MoKα","","0.0292","0.0271","","","0.0686","0.0695","","","","","","1.08","","","","has coordinates","193417","2020-10-21","18:00:00",""
"4345063","19.09059","","9.52853","","14.1865","","90","","110.631","","90","","2415.1","","293","","293","","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- Cu3 K2 O13 S3 -","- Cu3 K2 O13 S3 -","- Cu24 K16 O104 S24 -","8","1","","Lander, Laura; Rousse, Gwenaëlle; Batuk, Dmitry; Colin, Claire V.; Dalla Corte, Daniel Alves; Tarascon, Jean-Marie","Synthesis, Structure, and Electrochemical Properties of K-Based Sulfates K2M2(SO4)3 with M = Fe and Cu.","Inorganic chemistry","2017","56","4","2013","2021","10.1021/acs.inorgchem.6b02526","powder diffraction","","0.41454","synchrotron","","","","","","","","","2.4726","","","","","","","","has coordinates","193416","2020-10-21","18:00:00",""
"4345064","7.4076","0.0005","8.6627","0.0006","11.62","0.0008","97.195","0.003","93.976","0.003","103.077","0.002","716.91","0.09","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","","","- C10 H10 Co N8 O4 -","- C10 H10 Co N8 O4 -","- C20 H20 Co2 N16 O8 -","2","1","","Bruno, Rosaria; Vallejo, Julia; Marino, Nadia; De Munno, Giovanni; Krzystek, J.; Cano, Joan; Pardo, Emilio; Armentano, Donatella","Cytosine Nucleobase Ligand: A Suitable Choice for Modulating Magnetic Anisotropy in Tetrahedrally Coordinated Mononuclear Co(II) Compounds.","Inorganic chemistry","2017","56","4","1857","1864","10.1021/acs.inorgchem.6b02448","","","0.71073","MoKα","","0.046","0.0408","","","0.1142","0.1209","","","","","","1.035","","","","has coordinates","193421","2020-10-21","18:00:00",""
"4345065","37.39","0.006","37.39","0.006","25.583","0.004","90","","90","","120","","30974","9","100","2","100","2","","","","","","","","6","R -3 :H","-R 3","148","","","","- C198 H474 Dy6 Fe18 N42 O132 -","- C198 H414 Dy6 Fe18 N42 O132 -","- C594 H1242 Dy18 Fe54 N126 O396 -","3","0.166667","","Botezat, Olga; van Leusen, Jan; Kravtsov, Victor Ch; Kögerler, Paul; Baca, Svetlana G.","Ultralarge 3d/4f Coordination Wheels: From Carboxylate/Amino Alcohol-Supported {Fe4Ln2} to {Fe18Ln6} Rings.","Inorganic chemistry","2017","56","4","1814","1822","10.1021/acs.inorgchem.6b02100","","","0.71073","MoKα","","0.0937","0.0613","","","0.1609","0.1859","","","","","","1.057","","","","has coordinates,has disorder","193431","2020-10-21","18:00:00",""
"4345066","37.438","0.006","37.438","0.006","25.744","0.004","90","","90","","120","","31249","9","100","2","100","2","","","","","","","","6","R -3 :H","-R 3","148","","","","- C212 H503 Fe18 N45 O134 Sm6 -","- C212 H454.999 Fe18 N45 O134 Sm6 -","- C635.999 H1365 Fe54 N135 O401.999 Sm18 -","3","0.166667","","Botezat, Olga; van Leusen, Jan; Kravtsov, Victor Ch; Kögerler, Paul; Baca, Svetlana G.","Ultralarge 3d/4f Coordination Wheels: From Carboxylate/Amino Alcohol-Supported {Fe4Ln2} to {Fe18Ln6} Rings.","Inorganic chemistry","2017","56","4","1814","1822","10.1021/acs.inorgchem.6b02100","","","0.71073","MoKα","","0.1016","0.0533","","","0.143","0.1966","","","","","","1.096","","","","has coordinates,has disorder","193431","2020-10-21","18:00:00",""
"4345067","15.7078","0.0012","22.8333","0.0017","24.5202","0.0018","78.38","0.002","81.161","0.002","78.225","0.002","8374.6","1.1","100","2","100","2","","","","","","","","6","P -1","-P 1","2","","","","- C207 H457 Fe18 N45 O116 Y6 -","- C207 H434.999 Fe18 N45 O116 Y6 -","- C207 H434.999 Fe18 N45 O116 Y6 -","1","0.5","","Botezat, Olga; van Leusen, Jan; Kravtsov, Victor Ch; Kögerler, Paul; Baca, Svetlana G.","Ultralarge 3d/4f Coordination Wheels: From Carboxylate/Amino Alcohol-Supported {Fe4Ln2} to {Fe18Ln6} Rings.","Inorganic chemistry","2017","56","4","1814","1822","10.1021/acs.inorgchem.6b02100","","","0.71073","MoKα","","0.1283","0.0613","","","0.1386","0.1489","","","","","","1.008","","","","has coordinates,has disorder","193431","2020-10-21","18:00:00",""
"4345068","12.2651","0.0017","14.122","0.002","14.379","0.002","117.466","0.003","101.585","0.004","96.297","0.004","2105.4","0.5","100","2","100","2","","","","","","","","7","P -1","-P 1","2","","","","- C56 H110 Cl4 Dy2 Fe4 N16 O24 -","- C56 H110 Cl4 Dy2 Fe4 N16 O24 -","- C56 H110 Cl4 Dy2 Fe4 N16 O24 -","1","0.5","","Botezat, Olga; van Leusen, Jan; Kravtsov, Victor Ch; Kögerler, Paul; Baca, Svetlana G.","Ultralarge 3d/4f Coordination Wheels: From Carboxylate/Amino Alcohol-Supported {Fe4Ln2} to {Fe18Ln6} Rings.","Inorganic chemistry","2017","56","4","1814","1822","10.1021/acs.inorgchem.6b02100","","","0.71073","MoKα","","0.0559","0.0429","","","0.0841","0.0899","","","","","","1.05","","","","has coordinates,has disorder","193431","2020-10-21","18:00:00",""
"4345069","12.4023","0.0013","13.4737","0.0013","13.6951","0.0015","115.683","0.01","101.128","0.009","99.194","0.008","1945.5","0.4","100","2","100","2","","","","","","","","6","P -1","-P 1","2","","","","- C54 H106 Fe4 N16 O24 Tb2 -","- C54 H106 Fe4 N16 O24 Tb2 -","- C54 H106 Fe4 N16 O24 Tb2 -","1","0.5","","Botezat, Olga; van Leusen, Jan; Kravtsov, Victor Ch; Kögerler, Paul; Baca, Svetlana G.","Ultralarge 3d/4f Coordination Wheels: From Carboxylate/Amino Alcohol-Supported {Fe4Ln2} to {Fe18Ln6} Rings.","Inorganic chemistry","2017","56","4","1814","1822","10.1021/acs.inorgchem.6b02100","","","0.71073","MoKα","","0.1256","0.071","","","0.1289","0.1491","","","","","","1.033","","","","has coordinates,has disorder","193431","2020-10-21","18:00:00",""
"4345070","10.2958","0.0015","18.216","0.003","22.117","0.003","90","","101.309","0.003","90","","4067.5","1.1","100","2","100","2","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C50 H104 Cl4 Dy2 Fe4 N22 O22 -","- C50 H104 Cl4 Dy2 Fe4 N22 O22 -","- C100 H208 Cl8 Dy4 Fe8 N44 O44 -","2","0.5","","Botezat, Olga; van Leusen, Jan; Kravtsov, Victor Ch; Kögerler, Paul; Baca, Svetlana G.","Ultralarge 3d/4f Coordination Wheels: From Carboxylate/Amino Alcohol-Supported {Fe4Ln2} to {Fe18Ln6} Rings.","Inorganic chemistry","2017","56","4","1814","1822","10.1021/acs.inorgchem.6b02100","","","0.71073","MoKα","","0.1146","0.0992","","","0.2103","0.2161","","","","","","1.357","","","","has coordinates","193431","2020-10-21","18:00:00",""
"4345071","12.346","0.0014","13.8164","0.0016","13.9592","0.0016","116.184","0.002","98.375","0.002","101.348","0.002","2020.5","0.4","100","2","100","2","","","","","","","","6","P -1","-P 1","2","","","","- C58 H118 Er2 Fe4 N16 O26 -","- C58 H118 Er2 Fe4 N16 O26 -","- C58 H118 Er2 Fe4 N16 O26 -","1","0.5","","Botezat, Olga; van Leusen, Jan; Kravtsov, Victor Ch; Kögerler, Paul; Baca, Svetlana G.","Ultralarge 3d/4f Coordination Wheels: From Carboxylate/Amino Alcohol-Supported {Fe4Ln2} to {Fe18Ln6} Rings.","Inorganic chemistry","2017","56","4","1814","1822","10.1021/acs.inorgchem.6b02100","","","0.71073","MoKα","","0.0458","0.0409","","","0.097","0.1014","","","","","","1.07","","","","has coordinates,has disorder","193431","2020-10-21","18:00:00",""
"4345072","15.3106","0.0015","23.09","0.002","24.293","0.002","78.069","0.003","81.833","0.003","76.573","0.003","8132.9","1.3","100","2","100","2","","","","","","","","6","P -1","-P 1","2","","","","- C194 H409 Dy6 Fe18 N43 O105 -","- C194 H397 Dy6 Fe18 N43 O104 -","- C194 H397 Dy6 Fe18 N43 O104 -","1","0.5","","Botezat, Olga; van Leusen, Jan; Kravtsov, Victor Ch; Kögerler, Paul; Baca, Svetlana G.","Ultralarge 3d/4f Coordination Wheels: From Carboxylate/Amino Alcohol-Supported {Fe4Ln2} to {Fe18Ln6} Rings.","Inorganic chemistry","2017","56","4","1814","1822","10.1021/acs.inorgchem.6b02100","","","0.71073","MoKα","","0.1287","0.0763","","","0.2064","0.2459","","","","","","1.009","","","","has coordinates,has disorder","193431","2020-10-21","18:00:00",""
"4345073","22.4349","0.0005","22.4349","0.0005","28.8212","0.0009","90","","90","","120","","12562.9","0.6","293","2","293","2","","","","","","","","5","P -6 2 c","P -6c -2c","190","","","","- C171 H147 Er12 N3 O66 -","- C165 H93 Er12 O66 -","- C330 H186 Er24 O132 -","2","0.166667","","Li, Yun-Jian; Wang, Yu-Ling; Liu, Qing-Yan","The Highly Connected MOFs Constructed from Nonanuclear and Trinuclear Lanthanide-Carboxylate Clusters: Selective Gas Adsorption and Luminescent pH Sensing.","Inorganic chemistry","2017","56","4","2159","2164","10.1021/acs.inorgchem.6b02811","","x-ray","0.71073","MoKα","","0.0426","0.0366","","","0.097","0.0999","","","","","","1.034","","","","has coordinates","193418","2020-10-21","18:00:00",""
"4345074","22.6051","0.0004","22.6051","0.0004","28.9178","0.0007","90","","90","","120","","12797","0.4","293","2","293","2","","","","","","","","5","P -6 2 c","P -6c -2c","190","","","","- C171 H147 Gd12 N3 O66 -","- C165 H93 Gd12 O66 -","- C330 H186 Gd24 O132 -","2","0.166667","","Li, Yun-Jian; Wang, Yu-Ling; Liu, Qing-Yan","The Highly Connected MOFs Constructed from Nonanuclear and Trinuclear Lanthanide-Carboxylate Clusters: Selective Gas Adsorption and Luminescent pH Sensing.","Inorganic chemistry","2017","56","4","2159","2164","10.1021/acs.inorgchem.6b02811","","x-ray","0.71073","MoKα","","0.0399","0.0329","","","0.0684","0.0704","","","","","","1.015","","","","has coordinates","193418","2020-10-21","18:00:00",""
"4345075","14.2917","0.0006","11.503","0.0004","12.6384","0.0005","90","","93.42","0.002","90","","2074.02","0.14","103","2","103","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C19 H29 B Cl2 N2 O2 -","- C19 H29 B Cl2 N2 O2 -","- C76 H116 B4 Cl8 N8 O8 -","4","1","","Kong, Lingbing; Lu, Wei; Yongxin, Li; Ganguly, Rakesh; Kinjo, Rei","Formation of Boron-Main-Group Element Bonds by Reactions with a Tricoordinate Organoboron L2PhB: (L = Oxazol-2-ylidene).","Inorganic chemistry","2017","56","10","5586","5593","10.1021/acs.inorgchem.6b02993","","","0.71073","MoKα","","0.1069","0.0697","","","0.1635","0.1821","","","","","","1.07","","","","has coordinates","197403","2020-10-21","18:00:00",""
"4345076","14.8908","0.0013","13.2377","0.0013","11.587","0.0011","90","","90.039","0.005","90","","2284","0.4","103","2","103","2","","","","","","","","6","C 1 c 1","C -2yc","9","","","","- C22 H27 B Fe N2 O6 -","- C22 H27 B Fe N2 O6 -","- C88 H108 B4 Fe4 N8 O24 -","4","1","","Kong, Lingbing; Lu, Wei; Yongxin, Li; Ganguly, Rakesh; Kinjo, Rei","Formation of Boron-Main-Group Element Bonds by Reactions with a Tricoordinate Organoboron L2PhB: (L = Oxazol-2-ylidene).","Inorganic chemistry","2017","56","10","5586","5593","10.1021/acs.inorgchem.6b02993","","","0.71073","MoKα","","0.0473","0.0412","","","0.0712","0.0739","","","","","","1.006","","","","has coordinates","197403","2020-10-21","18:00:00",""
"4345077","11.2821","0.0005","16.7271","0.0007","13.9443","0.0006","90","","97.075","0.002","90","","2611.5","0.2","153","2","153","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C25 H42 B2 N2 O4 -","- C25 H42 B2 N2 O4 -","- C100 H168 B8 N8 O16 -","4","1","","Kong, Lingbing; Lu, Wei; Yongxin, Li; Ganguly, Rakesh; Kinjo, Rei","Formation of Boron-Main-Group Element Bonds by Reactions with a Tricoordinate Organoboron L2PhB: (L = Oxazol-2-ylidene).","Inorganic chemistry","2017","56","10","5586","5593","10.1021/acs.inorgchem.6b02993","","","0.71073","MoKα","","0.0899","0.0525","","","0.1191","0.1407","","","","","","1.015","","","","has coordinates","197403","2020-10-21","18:00:00",""
"4345078","10.0641","0.0002","13.7226","0.0003","18.015","0.0004","88.893","0.001","87.091","0.001","77.896","0.001","2429.43","0.09","115","","115","","","","","","","","","4","P -1","-P 1","2","","","","- C57 H75 B2 Fe -","- C57 H75 B2 Fe -","- C114 H150 B4 Fe2 -","2","1","","Lerayer, Emmanuel; Renaut, Patrice; Brandès, Stéphane; Cattey, Hélène; Fleurat-Lessard, Paul; Bouhadir, Ghenwa; Bourissou, Didier; Hierso, Jean-Cyrille","Planar-Chiral 1,1'-Diboryl Metallocenes: Diastereoselective Synthesis from Boryl Cyclopentadienides and Spin Density Analysis of a Diborylcobaltocene.","Inorganic chemistry","2017","56","4","1966","1973","10.1021/acs.inorgchem.6b02510","","x-ray","0.71073","MoKα","","0.0565","0.0456","","","0.1078","0.1159","","","","","","1.059","","","","has coordinates","193413","2020-10-21","18:00:00",""
"4345079","8.3905","0.0005","12.3904","0.0007","21.7275","0.0013","90","","93.204","0.002","90","","2255.3","0.2","115","","115","","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","","","- C27 H35 B -","- C27 H35 B -","- C108 H140 B4 -","4","1","","Lerayer, Emmanuel; Renaut, Patrice; Brandès, Stéphane; Cattey, Hélène; Fleurat-Lessard, Paul; Bouhadir, Ghenwa; Bourissou, Didier; Hierso, Jean-Cyrille","Planar-Chiral 1,1'-Diboryl Metallocenes: Diastereoselective Synthesis from Boryl Cyclopentadienides and Spin Density Analysis of a Diborylcobaltocene.","Inorganic chemistry","2017","56","4","1966","1973","10.1021/acs.inorgchem.6b02510","","x-ray","0.71073","MoKα","","0.0796","0.0514","","","0.1288","0.145","","","","","","1.026","","","","has coordinates","193413","2020-10-21","18:00:00",""
"4345080","7.7552","0.0009","7.7552","0.0009","7.7552","0.0009","90","","90","","90","","466.42","0.09","293","","293","","","","","","","","","3","P 41 3 2","P 4bd 2ab 3","213","","","","- Al0.425 Au3.575 Na2 -","- Al0.425 Au3.575 Na2 -","- Al1.7 Au14.3 Na8 -","4","0.166667","","Stegemann, Frank; Benndorf, Christopher; Zhang, Yuemei; Bartsch, Manfred; Zacharias, Helmut; Fokwa, Boniface P. T.; Eckert, Hellmut; Janka, Oliver","Network Formation by Condensed Tetrahedral [Au3Al] Units in Na2Au3Al: Crystal and Electronic Structure, Spectroscopic Investigations, and Physical Properties of an Ordered Ternary Auride.","Inorganic chemistry","2017","56","4","1919","1931","10.1021/acs.inorgchem.6b02480","","x-ray","0.71073","MoKα","","0.0357","0.0237","","","0.0508","0.0538","","","","1.41","1.41","1.31","","","","has coordinates","193423","2020-10-21","18:00:00",""
"4345081","7.7133","0.0003","7.7133","0.0003","7.7133","0.0003","90","","90","","90","","458.9","0.03","293","","293","","","","","","","","","3","P 41 3 2","P 4bd 2ab 3","213","","","","- Al1.54 Au2.46 Na2 -","- Al1.54 Au2.46 Na2 -","- Al6.16 Au9.84 Na8 -","4","0.166667","","Stegemann, Frank; Benndorf, Christopher; Zhang, Yuemei; Bartsch, Manfred; Zacharias, Helmut; Fokwa, Boniface P. T.; Eckert, Hellmut; Janka, Oliver","Network Formation by Condensed Tetrahedral [Au3Al] Units in Na2Au3Al: Crystal and Electronic Structure, Spectroscopic Investigations, and Physical Properties of an Ordered Ternary Auride.","Inorganic chemistry","2017","56","4","1919","1931","10.1021/acs.inorgchem.6b02480","","x-ray","0.71073","MoKα","","0.0224","0.0218","","","0.046","0.0462","","","","1.94","1.94","1.92","","","","has coordinates","193423","2020-10-21","18:00:00",""
"4345082","35.02","0.003","23.988","0.002","45.263","0.004","90","","111.265","0.001","90","","35435","5","130","2","130","","","","","","","","","8","P 1 21/n 1","-P 2yn","14","a","","","- C300 H285 Au34 Cu3 F18 P13 S8 Sb3 -","- C300 H285 Au34 Cu3 F18 P13 S8 Sb3 -","- C1200 H1140 Au136 Cu12 F72 P52 S32 Sb12 -","4","1","","Yang, Sha; Chai, Jinsong; Chen, Tao; Rao, Bo; Pan, Yiting; Yu, Haizhu; Zhu, Manzhou","Crystal Structures of Two New Gold-Copper Bimetallic Nanoclusters: CuxAu25-x(PPh3)10(PhC2H4S)5Cl2(2+) and Cu3Au34(PPh3)13((t)BuPhCH2S)6S2(3).","Inorganic chemistry","2017","56","4","1771","1774","10.1021/acs.inorgchem.6b02016","","","0.71073","MoKα","","0.2248","0.0997","","","0.2388","0.2796","","","","","","0.895","","","","has coordinates","193430","2020-10-21","18:00:00",""
"4345083","15.8894","0.0006","23.4727","0.0008","10.1435","0.0003","90","","90","","90","","3783.2","0.2","180","0.1","180","0.1","","","","","","","","8","P m m n","-P 2ab 2a","59","","","","- C14.5 H8.25 Co0.25 F5 N O3.25 P0.75 Yb0.25 -","- C14.5 H7 Co0.25 F5 N O3.25 P0.75 Yb0.25 -","- C116 H56 Co2 F40 N8 O26 P6 Yb2 -","8","","","Ning, Yingying; Ke, Xian-Sheng; Hu, Ji-Yun; Liu, Yi-Wei; Ma, Fang; Sun, Hao-Ling; Zhang, Jun-Long","Bioinspired Orientation of β-Substituents on Porphyrin Antenna Ligands Switches Ytterbium(III) NIR Emission with Thermosensitivity.","Inorganic chemistry","2017","56","4","1897","1905","10.1021/acs.inorgchem.6b02481","","","0.71073","MoKα","","0.0397","0.034","","","0.0976","0.1008","","","","","","1.061","","","","has coordinates,has disorder","193420","2020-10-21","18:00:00",""
"4345084","16.3919","0.0011","23.5424","0.0017","10.2182","0.0007","90","","90","","90","","3943.3","0.5","296","2","296","2","","","","","","","","8","P m m n","-P 2ab 2a","59","","","","- C13.75 H8.25 Co0.25 F5 N O3.5 P0.75 Yb0.25 -","- C13.75 H5.5 Co0.25 F5 N O3.5 P0.75 Yb0.25 -","- C110 H44 Co2 F40 N8 O28 P6 Yb2 -","8","","","Ning, Yingying; Ke, Xian-Sheng; Hu, Ji-Yun; Liu, Yi-Wei; Ma, Fang; Sun, Hao-Ling; Zhang, Jun-Long","Bioinspired Orientation of β-Substituents on Porphyrin Antenna Ligands Switches Ytterbium(III) NIR Emission with Thermosensitivity.","Inorganic chemistry","2017","56","4","1897","1905","10.1021/acs.inorgchem.6b02481","","","0.71073","MoKα","","0.0464","0.0383","","","0.1123","0.1177","","","","","","1.092","","","","has coordinates,has disorder","193420","2020-10-21","18:00:00",""
"4345085","8.017","0.003","12.597","0.004","13.612","0.004","90","","100.28","0.018","90","","1352.6","0.8","170","2","170","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C14 H14 Cl2 Fe N18 O12 -","- C14 H14 Cl2 Fe N18 O12 -","- C28 H28 Cl4 Fe2 N36 O24 -","2","0.5","","Myers, Thomas W.; Brown, Kathryn E.; Chavez, David E.; Scharff, R. Jason; Veauthier, Jacqueline M.","Laser Initiation of Fe(II) Complexes of 4-Nitro-pyrazolyl Substituted Tetrazine Ligands.","Inorganic chemistry","2017","56","4","2297","2303","10.1021/acs.inorgchem.6b02998","","","0.71073","MoKα","","0.2051","0.1053","","","0.253","0.3491","","","","","","0.989","","","","has coordinates","193434","2020-10-21","18:00:00",""
"4345086","11.5921","0.0001","13.8526","0.0001","21.0122","0.0002","90","","90","","90","","3374.15","0.05","173","2","173","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C40 H28 N5 O2 Os P -","- C40 H28 N5 O2 Os P -","- C160 H112 N20 O8 Os4 P4 -","4","1","","Xiang, Jing; Wang, Qian; Yiu, Shek-Man; Lau, Tai-Chu","Dual Pathways in the Oxidation of an Osmium(III) Guanidine Complex. Formation of Osmium(VI) Nitrido and Osmium Nitrosyl Complex.","Inorganic chemistry","2017","56","4","2022","2028","10.1021/acs.inorgchem.6b02645","","","1.5418","CuKα","","0.0152","0.0148","","","0.037","0.0371","","","","","","1.098","","","","has coordinates","193412","2020-10-21","18:00:00",""
"4345087","11.5597","0.0002","14.1233","0.0002","20.9986","0.0003","90","","90","","90","","3428.25","0.09","173","2","173","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C40 H28 N5 O3 Os P -","- C40 H28 N5 O3 Os P -","- C160 H112 N20 O12 Os4 P4 -","4","1","","Xiang, Jing; Wang, Qian; Yiu, Shek-Man; Lau, Tai-Chu","Dual Pathways in the Oxidation of an Osmium(III) Guanidine Complex. Formation of Osmium(VI) Nitrido and Osmium Nitrosyl Complex.","Inorganic chemistry","2017","56","4","2022","2028","10.1021/acs.inorgchem.6b02645","","","1.54184","CUKα","","0.0209","0.0206","","","0.0537","0.0539","","","","","","1.064","","","","has coordinates","193412","2020-10-21","18:00:00",""
"4345088","15.579","0.007","4.1312","0.0018","14.409","0.006","90","","111.627","0.005","90","","862.1","0.6","90","2","90","2","","","","","","","","3","C 1 2/m 1","-C 2y","12","","","","- La4 P10 Zn7 -","- La4 P10 Zn7 -","- La8 P20 Zn14 -","2","0.25","","Wang, Jian; Lee, Kathleen; Kovnir, Kirill","Synthesis, Crystal Structure, and Properties of La4Zn7P10 and La4Mg1.5Zn8.5P12.","Inorganic chemistry","2017","56","2","783","790","10.1021/acs.inorgchem.6b02216","","","0.71073","MoKα","","0.06","0.0425","","","0.1001","0.1087","","","","","","1.024","","","","has coordinates","191236","2020-10-21","18:00:00",""
"4345089","10.886","0.0011","38.837","0.004","12.8547","0.0013","90","","100.571","0.006","90","","5342.5","0.9","103","2","103","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C56 H81 N6 Si2 -","- C56 H81 N6 Si2 -","- C224 H324 N24 Si8 -","4","1","","Zhang, Shu-Hua; Carter, Emma; Xi, Hong-Wei; Li, Yongxin; Lim, Kok Hwa; So, Cheuk-Wai","Delocalized Hypervalent Silyl Radical Supported by Amidinate and Imino Substituents.","Inorganic chemistry","2017","56","2","701","704","10.1021/acs.inorgchem.6b02427","","","0.71073","MoKα","","0.2444","0.0985","","","0.2239","0.2927","","","","","","1.001","","","","has coordinates,has disorder","191237","2020-10-21","18:00:00",""
"4345090","7.7437","0.0004","34.1273","0.0017","10.1063","0.0005","90","","90.414","0.002","90","","2670.7","0.2","293","2","293","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- Cs6 Mg6 O54 P18 -","- Cs6 Mg6 O54 P18 -","- Cs12 Mg12 O108 P36 -","2","1","","Chen, Yi-Gang; Xing, Mei-Ling; Liu, Peng-Fei; Guo, Yao; Yang, Nan; Zhang, Xian-Ming","Two Phosphates: Noncentrosymmetric Cs6Mg6(PO3)18 and Centrosymmetric Cs2MgZn2(P2O7)2.","Inorganic chemistry","2017","56","2","845","851","10.1021/acs.inorgchem.6b02303","","","0.71073","MoKα","","0.04","0.0378","","","0.0873","0.0899","","","","","","1.047","","","","has coordinates","191238","2020-10-21","18:00:00",""
"4345091","13.527","0.0014","7.4464","0.0008","14.6905","0.0015","90","","90.746","0.004","90","","1479.6","0.3","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- Cs4 Mg2 O28 P8 Zn4 -","- Cs4 Mg2 O28 P8 Zn4 -","- Cs8 Mg4 O56 P16 Zn8 -","2","0.5","","Chen, Yi-Gang; Xing, Mei-Ling; Liu, Peng-Fei; Guo, Yao; Yang, Nan; Zhang, Xian-Ming","Two Phosphates: Noncentrosymmetric Cs6Mg6(PO3)18 and Centrosymmetric Cs2MgZn2(P2O7)2.","Inorganic chemistry","2017","56","2","845","851","10.1021/acs.inorgchem.6b02303","","","0.71073","MoKα","","0.0293","0.0292","","","0.0859","0.086","","","","","","1.077","","","","has coordinates,has disorder","191238","2020-10-21","18:00:00",""
"4345092","10.983","0.0018","9.7438","0.0017","30.33","0.005","90","","99.433","0.003","90","","3201.9","0.9","293","2","293","2","","","","","","","","8","P 1 21/n 1","-P 2yn","14","","","","- C37 H25 Br I Ir N4 O2 S -","- C37 H25 Br I Ir N4 O2 S -","- C148 H100 Br4 I4 Ir4 N16 O8 S4 -","4","1","","Hisamatsu, Yosuke; Kumar, Sarvendra; Aoki, Shin","Design and Synthesis of Tris-Heteroleptic Cyclometalated Iridium(III) Complexes Consisting of Three Different Nonsymmetric Ligands Based on Ligand-Selective Electrophilic Reactions via Interligand HOMO Hopping Phenomena.","Inorganic chemistry","2017","56","2","886","899","10.1021/acs.inorgchem.6b02519","","","0.71073","MoKα","","0.037","0.0323","","","0.0771","0.0811","","","","","","1.081","","","","has coordinates","191239","2020-10-21","18:00:00",""
"4345093","13.2027","0.0003","9.8304","0.0003","18.8076","0.0005","90","","104","0.001","90","","2368.49","0.11","123","","123","","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","AlOEtTMTAA","","- C52 H64 Al2 N8 O3 -","- C52 H64 Al2 N8 O3 -","- C104 H128 Al4 N16 O6 -","2","0.5","","Stasiw, Daniel E.; Mandal, Mukunda; Neisen, Benjamin D.; Mitchell, Lauren A.; Cramer, Christopher J.; Tolman, William B.","Why So Slow? Mechanistic Insights from Studies of a Poor Catalyst for Polymerization of ε-Caprolactone.","Inorganic chemistry","2017","56","2","725","728","10.1021/acs.inorgchem.6b02849","","","1.54178","CuKα","","0.0381","0.0333","","","0.085","0.0881","","","","","","1.018","","","","has coordinates,has disorder","191240","2020-10-21","18:00:00",""
"4345094","42.877","0.006","9.6957","0.0014","21.349","0.003","90","","112.94","0.002","90","","8173","2","298","2","298","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C94 H91 N P4 Ru2 -","- C94 H91 N P4 Ru2 -","- C376 H364 N4 P16 Ru8 -","4","0.5","","Zhang, Jing; Guo, Shen-Zhen; Dong, Yu-Bao; Rao, Li; Yin, Jun; Yu, Guang-Ao; Hartl, František; Liu, Sheng Hua","Multistep Oxidation of Diethynyl Oligophenylamine-Bridged Diruthenium and Diiron Complexes.","Inorganic chemistry","2017","56","2","1001","1015","10.1021/acs.inorgchem.6b02809","","","0.71073","MoKα","","0.0664","0.045","","","0.1188","0.1389","","","","","","1.132","","","","has coordinates","191241","2020-10-21","18:00:00",""
"4345095","13.2163","0.0004","13.441","0.0004","18.2765","0.0005","105.586","0.001","100.385","0.001","91.977","0.001","3064.22","0.16","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","","","- C70 H90 N4 O2 Sn2 -","- C70 H90 N4 O2 Sn2 -","- C140 H180 N8 O4 Sn4 -","2","1","","Sindlinger, Christian P.; Aicher, Frederik S. W.; Wesemann, Lars","Cationic Stannylenes: In Situ Generation and NMR Spectroscopic Characterization.","Inorganic chemistry","2017","56","1","548","560","10.1021/acs.inorgchem.6b02377","","","0.71073","MoKα","","0.0492","0.0373","","","0.0817","0.0882","","","","","","1.073","","","","has coordinates","191242","2020-10-21","18:00:00",""
"4345096","29.164","0.005","8.7654","0.0014","8.8626","0.0014","90","","94.738","0.004","90","","2257.8","0.6","298","","298","","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","bis(4-fluorophenethylammonium) bis(methylammonium) decaiodo triplumbate","","- C18 H34 F2 I10 N4 Pb3 -","- C18 H22 F2 I10 N4 Pb3 -","- C36 H44 F4 I20 N8 Pb6 -","2","0.5","","Slavney, Adam H.; Smaha, Rebecca W.; Smith, Ian C.; Jaffe, Adam; Umeyama, Daiki; Karunadasa, Hemamala I.","Chemical Approaches to Addressing the Instability and Toxicity of Lead-Halide Perovskite Absorbers.","Inorganic chemistry","2017","56","1","46","55","10.1021/acs.inorgchem.6b01336","","","0.7749","synchrotron","","0.0611","0.0307","","","0.0579","0.0644","","","","","","1.024","","","","has coordinates,has disorder","191243","2020-10-21","18:00:00",""
"4345097","29.0119","0.0018","8.6827","0.0005","8.7609","0.0006","90","","95.003","0.004","90","","2198.5","0.2","100","","100.15","","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","bis(4-fluorophenethylammonium) bis(methylammonium) decaiodo triplumbate","","- C18 H34 F2 I10 N4 Pb3 -","- C18 H22 F2 I10 N4 Pb3 -","- C36 H44 F4 I20 N8 Pb6 -","2","0.5","","Slavney, Adam H.; Smaha, Rebecca W.; Smith, Ian C.; Jaffe, Adam; Umeyama, Daiki; Karunadasa, Hemamala I.","Chemical Approaches to Addressing the Instability and Toxicity of Lead-Halide Perovskite Absorbers.","Inorganic chemistry","2017","56","1","46","55","10.1021/acs.inorgchem.6b01336","","","0.7749","synchrotron","","0.1086","0.0475","","","0.0901","0.1045","","","","","","0.985","","","","has coordinates,has disorder","191244","2020-10-21","18:00:00",""
"4345098","8.2755","0.0001","8.2755","0.0001","13.8942","0.0002","90","","90","","120","","824.048","0.018","55","2","55","2","","","","","","","","6","P -3 1 c","-P 3 2c","163","","","","- C8 H14 Fe Mn N O12 -","- C8 H6 Fe Mn N0.9999 O12 -","- C16 H12 Fe2 Mn2 N1.9998 O24 -","2","0.166667","","Mazzuca, Lidia; Cañadillas-Delgado, Laura; Rodríguez-Velamazán, J Alberto; Fabelo, Oscar; Scarrozza, Marco; Stroppa, Alessandro; Picozzi, Silvia; Zhao, Jiong-Peng; Bu, Xian-He; Rodríguez-Carvajal, Juan","Magnetic Structures of Heterometallic M(II)-M(III) Formate Compounds.","Inorganic chemistry","2017","56","1","197","207","10.1021/acs.inorgchem.6b01866","","","0.66951","synchrotron","","0.0285","0.0262","","","0.071","0.0793","","","","","","1.229","","","","has coordinates","191245","2020-10-21","18:00:00",""
"4345099","8.2127","0.0001","8.2127","0.0001","13.6789","0.0002","90","","90","","120","","799.013","0.018","75","2","75","2","","","","","","","","6","P -3 1 c","-P 3 2c","163","","","","- C8 H14 Co Fe N O12 -","- C8 H6 Co Fe N1.002 O12 -","- C16 H12 Co2 Fe2 N2.004 O24 -","2","0.166667","","Mazzuca, Lidia; Cañadillas-Delgado, Laura; Rodríguez-Velamazán, J Alberto; Fabelo, Oscar; Scarrozza, Marco; Stroppa, Alessandro; Picozzi, Silvia; Zhao, Jiong-Peng; Bu, Xian-He; Rodríguez-Carvajal, Juan","Magnetic Structures of Heterometallic M(II)-M(III) Formate Compounds.","Inorganic chemistry","2017","56","1","197","207","10.1021/acs.inorgchem.6b01866","","","0.66951","synchrotron","","0.0328","0.0321","","","0.1055","0.1067","","","","","","1.181","","","","has coordinates","191246","2020-10-21","18:00:00",""
"4345100","8.2674","0.0001","8.2674","0.0001","13.8761","0.0002","90","","90","","120","","821.365","0.018","105","2","105","2","","","","","","","","6","P -3 1 c","-P 3 2c","163","","","","- C8 H14 Fe Mn N O12 -","- C8 H6 Fe Mn N0.9999 O12 -","- C16 H12 Fe2 Mn2 N1.9998 O24 -","2","0.166667","","Mazzuca, Lidia; Cañadillas-Delgado, Laura; Rodríguez-Velamazán, J Alberto; Fabelo, Oscar; Scarrozza, Marco; Stroppa, Alessandro; Picozzi, Silvia; Zhao, Jiong-Peng; Bu, Xian-He; Rodríguez-Carvajal, Juan","Magnetic Structures of Heterometallic M(II)-M(III) Formate Compounds.","Inorganic chemistry","2017","56","1","197","207","10.1021/acs.inorgchem.6b01866","","","0.66951","synchrotron","","0.055","0.0504","","","0.1502","0.1595","","","","","","1.133","","","","has coordinates","191248","2020-10-21","18:00:00",""
"4345101","8.2744","0.0001","8.2744","0.0001","13.8904","0.0002","90","","90","","120","","823.604","0.018","75","2","75","2","","","","","","","","6","P -3 1 c","-P 3 2c","163","","","","- C8 H14 Fe Mn N O12 -","- C8 H6 Fe Mn N0.9999 O12 -","- C16 H12 Fe2 Mn2 N1.9998 O24 -","2","0.166667","","Mazzuca, Lidia; Cañadillas-Delgado, Laura; Rodríguez-Velamazán, J Alberto; Fabelo, Oscar; Scarrozza, Marco; Stroppa, Alessandro; Picozzi, Silvia; Zhao, Jiong-Peng; Bu, Xian-He; Rodríguez-Carvajal, Juan","Magnetic Structures of Heterometallic M(II)-M(III) Formate Compounds.","Inorganic chemistry","2017","56","1","197","207","10.1021/acs.inorgchem.6b01866","","","0.66951","synchrotron","","0.0387","0.0354","","","0.1014","0.1148","","","","","","1.186","","","","has coordinates","191249","2020-10-21","18:00:00",""
"4345102","8.2184","0.0001","8.2184","0.0001","13.6756","0.0002","90","","90","","120","","799.929","0.018","30","2","30","2","","","","","","","","6","P -3 1 c","-P 3 2c","163","","","","- C8 H14 Co Fe N O12 -","- C8 H6 Co Fe N1.002 O12 -","- C16 H12 Co2 Fe2 N2.004 O24 -","2","0.166667","","Mazzuca, Lidia; Cañadillas-Delgado, Laura; Rodríguez-Velamazán, J Alberto; Fabelo, Oscar; Scarrozza, Marco; Stroppa, Alessandro; Picozzi, Silvia; Zhao, Jiong-Peng; Bu, Xian-He; Rodríguez-Carvajal, Juan","Magnetic Structures of Heterometallic M(II)-M(III) Formate Compounds.","Inorganic chemistry","2017","56","1","197","207","10.1021/acs.inorgchem.6b01866","","","0.66951","synchrotron","","0.0241","0.0238","","","0.0614","0.0616","","","","","","1.078","","","","has coordinates","191250","2020-10-21","18:00:00",""
"4345103","8.2163","0.0001","8.2163","0.0001","13.6768","0.0002","90","","90","","120","","799.591","0.018","45","2","45","2","","","","","","","","6","P -3 1 c","-P 3 2c","163","","","","- C8 H14 Co Fe N O12 -","- C8 H6 Co Fe N1.002 O12 -","- C16 H12 Co2 Fe2 N2.004 O24 -","2","0.166667","","Mazzuca, Lidia; Cañadillas-Delgado, Laura; Rodríguez-Velamazán, J Alberto; Fabelo, Oscar; Scarrozza, Marco; Stroppa, Alessandro; Picozzi, Silvia; Zhao, Jiong-Peng; Bu, Xian-He; Rodríguez-Carvajal, Juan","Magnetic Structures of Heterometallic M(II)-M(III) Formate Compounds.","Inorganic chemistry","2017","56","1","197","207","10.1021/acs.inorgchem.6b01866","","","0.66951","synchrotron","","0.0249","0.0245","","","0.0641","0.0644","","","","","","1.097","","","","has coordinates","191251","2020-10-21","18:00:00",""
"4345104","8.2136","0.0001","8.2136","0.0001","13.6935","0.0002","90","","90","","120","","800.041","0.018","95","2","95","2","","","","","","","","6","P -3 1 c","-P 3 2c","163","","","","- C8 H14 Co Fe N O12 -","- C8 H6 Co Fe N1.002 O12 -","- C16 H12 Co2 Fe2 N2.004 O24 -","2","0.166667","","Mazzuca, Lidia; Cañadillas-Delgado, Laura; Rodríguez-Velamazán, J Alberto; Fabelo, Oscar; Scarrozza, Marco; Stroppa, Alessandro; Picozzi, Silvia; Zhao, Jiong-Peng; Bu, Xian-He; Rodríguez-Carvajal, Juan","Magnetic Structures of Heterometallic M(II)-M(III) Formate Compounds.","Inorganic chemistry","2017","56","1","197","207","10.1021/acs.inorgchem.6b01866","","","0.66951","synchrotron","","0.0447","0.0431","","","0.1371","0.1467","","","","","","1.23","","","","has coordinates","191252","2020-10-21","18:00:00",""
"4345105","8.2158","0.0001","8.2158","0.0001","13.6791","0.0002","90","","90","","120","","799.628","0.018","55","2","55","2","","","","","","","","6","P -3 1 c","-P 3 2c","163","","","","- C8 H14 Co Fe N O12 -","- C8 H6 Co Fe N1.002 O12 -","- C16 H12 Co2 Fe2 N2.004 O24 -","2","0.166667","","Mazzuca, Lidia; Cañadillas-Delgado, Laura; Rodríguez-Velamazán, J Alberto; Fabelo, Oscar; Scarrozza, Marco; Stroppa, Alessandro; Picozzi, Silvia; Zhao, Jiong-Peng; Bu, Xian-He; Rodríguez-Carvajal, Juan","Magnetic Structures of Heterometallic M(II)-M(III) Formate Compounds.","Inorganic chemistry","2017","56","1","197","207","10.1021/acs.inorgchem.6b01866","","","0.66951","synchrotron","","0.0259","0.0256","","","0.0684","0.0686","","","","","","1.117","","","","has coordinates","191253","2020-10-21","18:00:00",""
"4345106","8.2726","0.0002","8.2726","0.0002","13.8886","0.0003","90","","90","","120","","823.14","0.03","85","2","85","2","","","","","","","","6","P -3 1 c","-P 3 2c","163","","","","- C8 H14 Fe Mn N O12 -","- C8 H6 Fe Mn N0.9999 O12 -","- C16 H12 Fe2 Mn2 N1.9998 O24 -","2","0.166667","","Mazzuca, Lidia; Cañadillas-Delgado, Laura; Rodríguez-Velamazán, J Alberto; Fabelo, Oscar; Scarrozza, Marco; Stroppa, Alessandro; Picozzi, Silvia; Zhao, Jiong-Peng; Bu, Xian-He; Rodríguez-Carvajal, Juan","Magnetic Structures of Heterometallic M(II)-M(III) Formate Compounds.","Inorganic chemistry","2017","56","1","197","207","10.1021/acs.inorgchem.6b01866","","","0.66951","synchrotron","","0.0439","0.0397","","","0.1143","0.1275","","","","","","1.184","","","","has coordinates","191254","2020-10-21","18:00:00",""
"4345107","8.2132","0.0001","8.2132","0.0001","13.6863","0.0002","90","","90","","120","","799.542","0.018","85","2","85","2","","","","","","","","6","P -3 1 c","-P 3 2c","163","","","","- C8 H14 Co Fe N O12 -","- C8 H6 Co Fe N1.002 O12 -","- C16 H12 Co2 Fe2 N2.004 O24 -","2","0.166667","","Mazzuca, Lidia; Cañadillas-Delgado, Laura; Rodríguez-Velamazán, J Alberto; Fabelo, Oscar; Scarrozza, Marco; Stroppa, Alessandro; Picozzi, Silvia; Zhao, Jiong-Peng; Bu, Xian-He; Rodríguez-Carvajal, Juan","Magnetic Structures of Heterometallic M(II)-M(III) Formate Compounds.","Inorganic chemistry","2017","56","1","197","207","10.1021/acs.inorgchem.6b01866","","","0.66951","synchrotron","","0.0402","0.0394","","","0.1243","0.1256","","","","","","1.143","","","","has coordinates","191255","2020-10-21","18:00:00",""
"4345108","8.2165","0.0001","8.2165","0.0001","13.6791","0.0002","90","","90","","120","","799.764","0.018","65","2","65","2","","","","","","","","6","P -3 1 c","-P 3 2c","163","","","","- C8 H14 Co Fe N O12 -","- C8 H6 Co Fe N1.002 O12 -","- C16 H12 Co2 Fe2 N2.004 O24 -","2","0.166667","","Mazzuca, Lidia; Cañadillas-Delgado, Laura; Rodríguez-Velamazán, J Alberto; Fabelo, Oscar; Scarrozza, Marco; Stroppa, Alessandro; Picozzi, Silvia; Zhao, Jiong-Peng; Bu, Xian-He; Rodríguez-Carvajal, Juan","Magnetic Structures of Heterometallic M(II)-M(III) Formate Compounds.","Inorganic chemistry","2017","56","1","197","207","10.1021/acs.inorgchem.6b01866","","","0.66951","synchrotron","","0.0301","0.0295","","","0.0996","0.1","","","","","","1.227","","","","has coordinates","191256","2020-10-21","18:00:00",""
"4345109","8.2722","0.0002","8.2722","0.0002","13.8867","0.0003","90","","90","","120","","822.95","0.03","95","2","95","2","","","","","","","","6","P -3 1 c","-P 3 2c","163","","","","- C8 H14 Fe Mn N O12 -","- C8 H6 Fe Mn N0.9999 O12 -","- C16 H12 Fe2 Mn2 N1.9998 O24 -","2","0.166667","","Mazzuca, Lidia; Cañadillas-Delgado, Laura; Rodríguez-Velamazán, J Alberto; Fabelo, Oscar; Scarrozza, Marco; Stroppa, Alessandro; Picozzi, Silvia; Zhao, Jiong-Peng; Bu, Xian-He; Rodríguez-Carvajal, Juan","Magnetic Structures of Heterometallic M(II)-M(III) Formate Compounds.","Inorganic chemistry","2017","56","1","197","207","10.1021/acs.inorgchem.6b01866","","","0.66951","synchrotron","","0.0472","0.0433","","","0.1223","0.1276","","","","","","1.143","","","","has coordinates","191257","2020-10-21","18:00:00",""
"4345110","8.2761","0.0001","8.2761","0.0001","13.8917","0.0002","90","","90","","120","","824.019","0.018","65","2","65","2","","","","","","","","6","P -3 1 c","-P 3 2c","163","","","","- C8 H14 Fe Mn N O12 -","- C8 H6 Fe Mn N0.9999 O12 -","- C16 H12 Fe2 Mn2 N1.9998 O24 -","2","0.166667","","Mazzuca, Lidia; Cañadillas-Delgado, Laura; Rodríguez-Velamazán, J Alberto; Fabelo, Oscar; Scarrozza, Marco; Stroppa, Alessandro; Picozzi, Silvia; Zhao, Jiong-Peng; Bu, Xian-He; Rodríguez-Carvajal, Juan","Magnetic Structures of Heterometallic M(II)-M(III) Formate Compounds.","Inorganic chemistry","2017","56","1","197","207","10.1021/acs.inorgchem.6b01866","","","0.66951","synchrotron","","0.0327","0.0305","","","0.0876","0.0947","","","","","","1.222","","","","has coordinates","191258","2020-10-21","18:00:00",""
"4345111","8.2762","0.0001","8.2762","0.0001","13.8975","0.0002","90","","90","","120","","824.383","0.018","45","2","45","2","","","","","","","","6","P -3 1 c","-P 3 2c","163","","","","- C8 H14 Fe Mn N O12 -","- C8 H6 Fe Mn N0.9999 O12 -","- C16 H12 Fe2 Mn2 N1.9998 O24 -","2","0.166667","","Mazzuca, Lidia; Cañadillas-Delgado, Laura; Rodríguez-Velamazán, J Alberto; Fabelo, Oscar; Scarrozza, Marco; Stroppa, Alessandro; Picozzi, Silvia; Zhao, Jiong-Peng; Bu, Xian-He; Rodríguez-Carvajal, Juan","Magnetic Structures of Heterometallic M(II)-M(III) Formate Compounds.","Inorganic chemistry","2017","56","1","197","207","10.1021/acs.inorgchem.6b01866","","","0.66951","synchrotron","","0.0261","0.0246","","","0.0703","0.0761","","","","","","1.219","","","","has coordinates","191259","2020-10-21","18:00:00",""
"4345112","8.2777","0.0001","8.2777","0.0001","13.8953","0.0002","90","","90","","120","","824.552","0.018","30","2","30","2","","","","","","","","6","P -3 1 c","-P 3 2c","163","","","","- C8 H14 Fe Mn N O12 -","- C8 H6 Fe Mn N0.9999 O12 -","- C16 H12 Fe2 Mn2 N1.9998 O24 -","2","0.166667","","Mazzuca, Lidia; Cañadillas-Delgado, Laura; Rodríguez-Velamazán, J Alberto; Fabelo, Oscar; Scarrozza, Marco; Stroppa, Alessandro; Picozzi, Silvia; Zhao, Jiong-Peng; Bu, Xian-He; Rodríguez-Carvajal, Juan","Magnetic Structures of Heterometallic M(II)-M(III) Formate Compounds.","Inorganic chemistry","2017","56","1","197","207","10.1021/acs.inorgchem.6b01866","","","0.66951","synchrotron","","0.0257","0.0242","","","0.0681","0.0746","","","","","","1.252","","","","has coordinates","191260","2020-10-21","18:00:00",""
"4345113","8.2114","0.0001","8.2114","0.0001","13.6951","0.0003","90","","90","","120","","799.71","0.02","105","2","105","2","","","","","","","","6","P -3 1 c","-P 3 2c","163","","","","- C8 H14 Co Fe N O12 -","- C8 H6 Co Fe N1.002 O12 -","- C16 H12 Co2 Fe2 N2.004 O24 -","2","0.166667","","Mazzuca, Lidia; Cañadillas-Delgado, Laura; Rodríguez-Velamazán, J Alberto; Fabelo, Oscar; Scarrozza, Marco; Stroppa, Alessandro; Picozzi, Silvia; Zhao, Jiong-Peng; Bu, Xian-He; Rodríguez-Carvajal, Juan","Magnetic Structures of Heterometallic M(II)-M(III) Formate Compounds.","Inorganic chemistry","2017","56","1","197","207","10.1021/acs.inorgchem.6b01866","","","0.66951","synchrotron","","0.0462","0.0432","","","0.1389","0.16","","","","","","1.228","","","","has coordinates","191261","2020-10-21","18:00:00",""
"4345114","9.3044","0.0004","21.1918","0.001","18.5797","0.0007","90","","119.962","0.003","90","","3173.9","0.3","100","2","100","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","Guanidinium Tin Iodide","","","- C H6 I3 N3 Sn -","- C H6 I3 N3 Sn -","- C12 H72 I36 N36 Sn12 -","12","3","","Stoumpos, Constantinos C.; Mao, Lingling; Malliakas, Christos D.; Kanatzidis, Mercouri G.","Structure-Band Gap Relationships in Hexagonal Polytypes and Low-Dimensional Structures of Hybrid Tin Iodide Perovskites.","Inorganic chemistry","2017","56","1","56","73","10.1021/acs.inorgchem.6b02764","","","0.71073","MoKα","","0.0818","0.0542","","","0.0825","0.089","","","","","","1.102","","","","has coordinates","191262","2020-10-21","18:00:00",""
"4345115","9.3309","0.0003","9.3309","0.0003","21.546","0.0009","90","","90","","120","","1624.59","0.1","293","2","293","2","","","","","","","","5","P 63/m","-P 6c","176","Guanidinium Tin Iodide","","","- C H6 I3 N3 Sn -","- C H6 I3 N3 Sn -","- C6 H36 I18 N18 Sn6 -","6","0.5","","Stoumpos, Constantinos C.; Mao, Lingling; Malliakas, Christos D.; Kanatzidis, Mercouri G.","Structure-Band Gap Relationships in Hexagonal Polytypes and Low-Dimensional Structures of Hybrid Tin Iodide Perovskites.","Inorganic chemistry","2017","56","1","56","73","10.1021/acs.inorgchem.6b02764","","","0.71073","MoKα","","0.0511","0.047","","","0.1126","0.1149","","","","","","1.181","","","","has coordinates","191262","2020-10-21","18:00:00",""
"4345116","19.1216","0.0007","17.9485","0.0006","14.6703","0.0005","90","","126.689","0.001","90","","4037.4","0.2","123","2","123","2","","","","","","","","5","C 1 2/m 1","-C 2y","12","","","","- C88 H104 Er2 N8 O8 -","- C88 H104 Er2 N8 O8 -","- C176 H208 Er4 N16 O16 -","2","0.25","","Ge, Jing-Yuan; Cui, Long; Li, Jing; Yu, Fei; Song, You; Zhang, Yi-Quan; Zuo, Jing-Lin; Kurmoo, Mohamedally","Modulating Single-Molecule Magnetic Behavior of a Dinuclear Erbium(III) Complex by Solvent Exchange.","Inorganic chemistry","2017","56","1","336","343","10.1021/acs.inorgchem.6b02243","","","0.71073","MoKα","","0.0491","0.0467","","","0.1202","0.1227","","","","","","1.072","","","","has coordinates","191263","2020-10-21","18:00:00",""
"4345117","19.255","0.004","17.807","0.004","14.734","0.003","90","","127.849","0.004","90","","3989.1","1.5","123","2","123","2","","","","","","","","6","C 1 2/m 1","-C 2y","12","","","","- C78 H96 Cl4 Er2 N8 O8 -","- C78 H96 Cl4 Er2 N8 O8 -","- C156 H192 Cl8 Er4 N16 O16 -","2","0.25","","Ge, Jing-Yuan; Cui, Long; Li, Jing; Yu, Fei; Song, You; Zhang, Yi-Quan; Zuo, Jing-Lin; Kurmoo, Mohamedally","Modulating Single-Molecule Magnetic Behavior of a Dinuclear Erbium(III) Complex by Solvent Exchange.","Inorganic chemistry","2017","56","1","336","343","10.1021/acs.inorgchem.6b02243","","","0.71073","MoKα","","0.0625","0.0552","","","0.1413","0.1475","","","","","","1.088","","","","has coordinates","191263","2020-10-21","18:00:00",""
"4345118","19.155","0.002","17.934","0.002","14.7208","0.0019","90","","126.622","0.003","90","","4058.7","0.8","123","2","123","2","","","","","","","","5","C 1 2/m 1","-C 2y","12","","","","- C88 H104 Er2 N8 O8 -","- C88 H104 Er2 N8 O8 -","- C176 H208 Er4 N16 O16 -","2","0.25","","Ge, Jing-Yuan; Cui, Long; Li, Jing; Yu, Fei; Song, You; Zhang, Yi-Quan; Zuo, Jing-Lin; Kurmoo, Mohamedally","Modulating Single-Molecule Magnetic Behavior of a Dinuclear Erbium(III) Complex by Solvent Exchange.","Inorganic chemistry","2017","56","1","336","343","10.1021/acs.inorgchem.6b02243","","","0.71073","MoKα","","0.0607","0.0571","","","0.1461","0.1495","","","","","","1.075","","","","has coordinates","191263","2020-10-21","18:00:00",""
"4345119","22.2003","0.0015","22.2003","0.0015","7.7298","0.0004","90","","90","","120","","3299.3","0.4","293","2","293","2","","","","","","","","6","P -3","-P 3","147","","","","- C30 H18 F6 Mn N2 O4 -","- C30 H18 F6 Mn N2 O4 -","- C90 H54 F18 Mn3 N6 O12 -","3","0.5","","Chen, Gong-Jun; Ma, Hui-Chao; Xin, Wen-Ling; Li, Xiao-Bo; Jin, Fa-Zheng; Wang, Jing-Si; Liu, Ming-Yang; Dong, Yu-Bin","Dual Heterogeneous Catalyst Pd-Au@Mn(II)-MOF for One-Pot Tandem Synthesis of Imines from Alcohols and Amines.","Inorganic chemistry","2017","56","1","654","660","10.1021/acs.inorgchem.6b02592","","","1.54184","CuKα","","0.1208","0.076","","","0.2","0.2333","","","","","","1.043","","","","has coordinates,has disorder","191264","2020-10-21","18:00:00",""
"4345120","17.878","0.002","17.878","0.002","17.878","0.002","90","","90","","90","","5714.2","1.1","293","2","293","2","","","","","","","","3","F -4 3 c","F -4a 2 3","219","","","","- Cu8 S12 Sn3 -","- Cu8 S12 Sn3 -","- Cu32 S48 Sn12 -","4","0.0416667","","Zhang, Dan; Li, Guangshe; Peng, Yu; Li, Liping","Synthesis of a Ternary Thiostannate with 3D Channel Decorated by Hydronium for High Proton Conductivity.","Inorganic chemistry","2017","56","1","208","212","10.1021/acs.inorgchem.6b02012","","","0.71073","MoKα","","0.0346","0.0326","","","0.1214","0.1255","","","","","","1.008","","","","has coordinates","191265","2020-10-21","18:00:00",""
"4345121","18.2697","0.0005","18.4818","0.0004","20.8278","0.0006","113.503","0.002","97.778","0.002","90.3643","0.0019","6375.8","0.3","90","0.1","90","0.1","","","","","","","","5","P -1","-P 1","2","","","","- H69 Na9 Nd O70.5 W10 -","- Na9 Nd O70.5 W10 -","- Na36 Nd4 O282 W40 -","4","2","","Vonci, Michele; Giansiracusa, Marcus J.; Van den Heuvel, Willem; Gable, Robert W.; Moubaraki, Boujemaa; Murray, Keith S.; Yu, Dehong; Mole, Richard A.; Soncini, Alessandro; Boskovic, Colette","Magnetic Excitations in Polyoxotungstate-Supported Lanthanoid Single-Molecule Magnets: An Inelastic Neutron Scattering and ab Initio Study.","Inorganic chemistry","2017","56","1","378","394","10.1021/acs.inorgchem.6b02312","","x-ray","1.54184","CuKα","","0.0591","0.0507","","","0.1205","0.1274","","","","","","1.059","","","","has coordinates","289031","2024-01-11","08:36:03",""
"4345122","12.7008","0.0004","13.0848","0.0003","20.4686","0.0005","82.816","0.002","74.523","0.002","88.951","0.002","3252.13","0.15","90","0.1","90","0.1","","","","","","","","5","P -1","-P 1","2","","","","- H70 Na9 O71 Tb W10 -","- Na9 O71 Tb W10 -","- Na18 O142 Tb2 W20 -","2","1","","Vonci, Michele; Giansiracusa, Marcus J.; Van den Heuvel, Willem; Gable, Robert W.; Moubaraki, Boujemaa; Murray, Keith S.; Yu, Dehong; Mole, Richard A.; Soncini, Alessandro; Boskovic, Colette","Magnetic Excitations in Polyoxotungstate-Supported Lanthanoid Single-Molecule Magnets: An Inelastic Neutron Scattering and ab Initio Study.","Inorganic chemistry","2017","56","1","378","394","10.1021/acs.inorgchem.6b02312","","x-ray","1.54184","CuKα","","0.057","0.0492","","","0.1364","0.1452","","","","","","1.057","","","","has coordinates","191266","2020-10-21","18:00:00",""
"4345123","12.7318","0.0006","13.0746","0.0004","20.4722","0.0008","82.865","0.003","74.469","0.004","88.92","0.003","3257.6","0.2","90","0.1","90","0.1","","","","","","","","5","P -1","-P 1","2","","","","- Dy H70 Na9 O71 W10 -","- Dy Na9 O71 W10 -","- Dy2 Na18 O142 W20 -","2","1","","Vonci, Michele; Giansiracusa, Marcus J.; Van den Heuvel, Willem; Gable, Robert W.; Moubaraki, Boujemaa; Murray, Keith S.; Yu, Dehong; Mole, Richard A.; Soncini, Alessandro; Boskovic, Colette","Magnetic Excitations in Polyoxotungstate-Supported Lanthanoid Single-Molecule Magnets: An Inelastic Neutron Scattering and ab Initio Study.","Inorganic chemistry","2017","56","1","378","394","10.1021/acs.inorgchem.6b02312","","x-ray","1.54184","CuKα","","0.0461","0.0387","","","0.0962","0.1012","","","","","","1.049","","","","has coordinates","191266","2020-10-21","18:00:00",""
"4345124","12.7217","0.0005","13.0494","0.0005","20.4707","0.0007","82.807","0.003","74.529","0.003","88.854","0.003","3249.1","0.2","90","0.1","90","0.1","","","","","","","","5","P -1","-P 1","2","","","","- H70 Ho Na9 O71 W10 -","- Ho Na9 O71 W10 -","- Ho2 Na18 O142 W20 -","2","1","","Vonci, Michele; Giansiracusa, Marcus J.; Van den Heuvel, Willem; Gable, Robert W.; Moubaraki, Boujemaa; Murray, Keith S.; Yu, Dehong; Mole, Richard A.; Soncini, Alessandro; Boskovic, Colette","Magnetic Excitations in Polyoxotungstate-Supported Lanthanoid Single-Molecule Magnets: An Inelastic Neutron Scattering and ab Initio Study.","Inorganic chemistry","2017","56","1","378","394","10.1021/acs.inorgchem.6b02312","","x-ray","1.54184","CuKα","","0.0455","0.0361","","","0.0774","0.0824","","","","","","1.038","","","","has coordinates","191266","2020-10-21","18:00:00",""
"4345125","12.7088","0.0005","13.0573","0.0004","20.4641","0.0009","82.785","0.003","74.592","0.004","88.803","0.003","3247.6","0.2","90","0.1","90","0.1","","","","","","","","5","P -1","-P 1","2","","","","- Er H70 Na9 O71 W10 -","- Er Na9 O71 W10 -","- Er2 Na18 O142 W20 -","2","1","","Vonci, Michele; Giansiracusa, Marcus J.; Van den Heuvel, Willem; Gable, Robert W.; Moubaraki, Boujemaa; Murray, Keith S.; Yu, Dehong; Mole, Richard A.; Soncini, Alessandro; Boskovic, Colette","Magnetic Excitations in Polyoxotungstate-Supported Lanthanoid Single-Molecule Magnets: An Inelastic Neutron Scattering and ab Initio Study.","Inorganic chemistry","2017","56","1","378","394","10.1021/acs.inorgchem.6b02312","","x-ray","1.54184","CuKα","","0.0517","0.0364","","","0.0951","0.102","","","","","","1.073","","","","has coordinates","191266","2020-10-21","18:00:00",""
"4345126","12.0918","0.0002","19.3371","0.0004","21.0224","0.0004","90","","123.743","0.002","90","","4087.39","0.16","170","2","170","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C54 H126 Ba2 Hf4 I2 O18 -","- C54 H126 Ba2 Hf4 I2 O18 -","- C108 H252 Ba4 Hf8 I4 O36 -","2","0.5","","Heidemann, Tim; Mathur, Sanjay","Three at a Time: Step by Step to Heterotermetallic Molecules.","Inorganic chemistry","2017","56","1","234","240","10.1021/acs.inorgchem.6b02069","","","0.71073","MoKα","","0.032","0.0271","","","0.0645","0.0666","","","","","","1.059","","","","has coordinates","191267","2020-10-21","18:00:00",""
"4345127","12.1282","0.0003","19.3448","0.0005","21.0636","0.0005","90","","123.826","0.002","90","","4105.4","0.2","170","2","170","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C54 H126 Ba2 I2 O18 Zr4 -","- C54 H126 Ba2 I2 O18 Zr4 -","- C108 H252 Ba4 I4 O36 Zr8 -","2","0.5","","Heidemann, Tim; Mathur, Sanjay","Three at a Time: Step by Step to Heterotermetallic Molecules.","Inorganic chemistry","2017","56","1","234","240","10.1021/acs.inorgchem.6b02069","","","0.71073","MoKα","","0.0337","0.0289","","","0.0744","0.0775","","","","","","1.041","","","","has coordinates","191267","2020-10-21","18:00:00",""
"4345128","14.659","0.003","19.465","0.004","41.766","0.008","90","","90","","90","","11917","4","170","2","170","2","","","","","","","","6","P b c a","-P 2ac 2ab","61","","","","- C42 H98 Al Ba Hf2 O14 -","- C42 H98 Al Ba Hf2 O14 -","- C336 H784 Al8 Ba8 Hf16 O112 -","8","1","","Heidemann, Tim; Mathur, Sanjay","Three at a Time: Step by Step to Heterotermetallic Molecules.","Inorganic chemistry","2017","56","1","234","240","10.1021/acs.inorgchem.6b02069","","","0.71073","MoKα","","0.1157","0.0683","","","0.1337","0.1588","","","","","","0.955","","","","has coordinates","191267","2020-10-21","18:00:00",""
"4345129","19.1952","0.0004","14.5226","0.0004","41.735","0.0009","90","","90","","90","","11634.2","0.5","170","2","170","2","","","","","","","","6","P c a 21","P 2c -2ac","29","","","","- C42 H98 Ba Ga Hf2 O14 -","- C42 H98 Ba Ga Hf2 O14 -","- C336 H784 Ba8 Ga8 Hf16 O112 -","8","2","","Heidemann, Tim; Mathur, Sanjay","Three at a Time: Step by Step to Heterotermetallic Molecules.","Inorganic chemistry","2017","56","1","234","240","10.1021/acs.inorgchem.6b02069","","","0.71073","MoKα","","0.0901","0.0593","","","0.1497","0.1774","","","","","","1.077","","","","has coordinates","191267","2020-10-21","18:00:00",""
"4345130","14.838","0.003","19.613","0.004","41.736","0.008","90","","90","","90","","12146","4","170","2","170","2","","","","","","","","6","P b c a","-P 2ac 2ab","61","","","","- C42 H98 Al Ba O14 Zr2 -","- C42 H98 Al Ba O14 Zr2 -","- C336 H784 Al8 Ba8 O112 Zr16 -","8","1","","Heidemann, Tim; Mathur, Sanjay","Three at a Time: Step by Step to Heterotermetallic Molecules.","Inorganic chemistry","2017","56","1","234","240","10.1021/acs.inorgchem.6b02069","","","0.71073","MoKα","","0.0908","0.0566","","","0.1293","0.1513","","","","","","1.012","","","","has coordinates","191267","2020-10-21","18:00:00",""
"4345131","57.995","0.005","12.444","0.005","19.562","0.005","90","0.005","97.022","0.005","90","0.005","14012","7","170","2","170","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C48 H112 Ba O18 Zr4 -","- C48 H112 Ba O18 Zr4 -","- C384 H896 Ba8 O144 Zr32 -","8","1","","Heidemann, Tim; Mathur, Sanjay","Three at a Time: Step by Step to Heterotermetallic Molecules.","Inorganic chemistry","2017","56","1","234","240","10.1021/acs.inorgchem.6b02069","","","0.71073","MoKα","","0.0576","0.0486","","","0.1205","0.1265","","","","","","1.066","","","","has coordinates","191267","2020-10-21","18:00:00",""
"4345132","15.844","0.004","18.858","0.005","21.373","0.006","102.133","0.007","102.954","0.006","100.508","0.006","5905","3","110","2","110","2","","","","","","","","7","P -1","-P 1","2","","","","- C216 H184 F6 N12 O26 Ru8 S2 -","- C216 H184 F6 N12 O26 Ru8 S2 -","- C216 H184 F6 N12 O26 Ru8 S2 -","1","0.5","","Ajibola Adeyemo, Aderonke; Shettar, Abhijith; Bhat, Imtiyaz Ahmad; Kondaiah, Paturu; Mukherjee, Partha Sarathi","Self-Assembly of Discrete Ru(II)8 Molecular Cages and Their in Vitro Anticancer Activity.","Inorganic chemistry","2017","56","1","608","617","10.1021/acs.inorgchem.6b02488","","","0.71073","MoKα","","0.1768","0.0944","","","0.2409","0.2767","","","","","","1.015","","","","has coordinates","191268","2020-10-21","18:00:00",""
"4345133","7.6774","0.0009","31.819","0.004","14.1598","0.0016","90","","104.535","0.002","90","","3348.3","0.7","296","2","296","2","","","","","","","","5","C 1 c 1","C -2yc","9","","","","- C6 H4 Bi I4 S4 -","- C6 H4 Bi I4 S4 -","- C48 H32 Bi8 I32 S32 -","8","2","","Evans, Hayden A.; Labram, John G.; Smock, Sara R.; Wu, Guang; Chabinyc, Michael L.; Seshadri, Ram; Wudl, Fred","Mono- and Mixed-Valence Tetrathiafulvalene Semiconductors (TTF)BiI4 and (TTF)4BiI6 with 1D and 0D Bismuth-Iodide Networks.","Inorganic chemistry","2017","56","1","395","401","10.1021/acs.inorgchem.6b02287","","","0.71073","MoKα","","0.0365","0.0357","","","0.0898","0.0904","","","","","","1.012","","","","has coordinates","191269","2020-10-21","18:00:00",""
"4345134","4.2567","0.0009","14.105","0.003","32.412","0.007","90","","90","","90","","1946","0.7","300","2","300","2","","","","","","","","3","C m c m","-C 2c 2","63","","Lead Bismuth Selenide (6/2/9)","","- Bi2 Pb6 Se9 -","- Bi2 Pb6 Se9 -","- Bi8 Pb24 Se36 -","4","0.25","","Casamento, Joseph; Lopez, Juan S.; Moroz, Nicholas A.; Olvera, Alan; Djieutedjeu, Honore; Page, Alexander; Uher, Ctirad; Poudeu, Pierre F. P.","Crystal Structure and Thermoelectric Properties of the (7,7)L Lillianite Homologue Pb6Bi2Se9.","Inorganic chemistry","2017","56","1","261","268","10.1021/acs.inorgchem.6b02118","","","0.71073","MoKα","","0.0498","0.0406","","","0.09","0.0917","","","","","","1.21","","","","has coordinates","191270","2020-10-21","18:00:00",""
"4345135","28.7379","0.0019","28.7379","0.0019","10.0804","0.0007","90","","90","","90","","8325.1","1","120","","120","","","","","","","","","5","I 41/a","-I 4ad","88","","[Chlorido(1-butyl-4-(2'-kC)-phenyl-(3-kN)-1,2,3-triazolato) (n6-p-cymene)osmium(II)]","","- C22 H28 Cl N3 Os -","- C22 H28 Cl N3 Os -","- C352 H448 Cl16 N48 Os16 -","16","","","Riedl, Christoph A.; Flocke, Lea S.; Hejl, Michaela; Roller, Alexander; Klose, Matthias H. M.; Jakupec, Michael A.; Kandioller, Wolfgang; Keppler, Bernhard K.","Introducing the 4-Phenyl-1,2,3-Triazole Moiety as a Versatile Scaffold for the Development of Cytotoxic Ruthenium(II) and Osmium(II) Arene Cyclometalates.","Inorganic chemistry","2017","56","1","528","541","10.1021/acs.inorgchem.6b02430","","","0.71073","MoKα","","0.0499","0.0294","","","0.0464","0.0505","","","","","","1.007","","","","has coordinates","191271","2020-10-21","18:00:00",""
"4345136","28.1686","0.0016","28.1686","0.0016","10.1755","0.0007","90","","90","","90","","8074","0.9","120","","120","","","","","","","","","5","I 41/a","-I 4ad","88","","[Chlorido(1-propyl-4-(2'-kC)-phenyl-(3-kN)-1,2,3-triazolato) (n6-p-cymene)osmium(II)]","","- C21 H26 Cl N3 Os -","- C21 H26 Cl N3 Os -","- C336 H416 Cl16 N48 Os16 -","16","","","Riedl, Christoph A.; Flocke, Lea S.; Hejl, Michaela; Roller, Alexander; Klose, Matthias H. M.; Jakupec, Michael A.; Kandioller, Wolfgang; Keppler, Bernhard K.","Introducing the 4-Phenyl-1,2,3-Triazole Moiety as a Versatile Scaffold for the Development of Cytotoxic Ruthenium(II) and Osmium(II) Arene Cyclometalates.","Inorganic chemistry","2017","56","1","528","541","10.1021/acs.inorgchem.6b02430","","","0.71073","MoKα","","0.0479","0.032","","","0.0621","0.068","","","","","","1.018","","","","has coordinates","191271","2020-10-21","18:00:00",""
"4345137","9.481","0.0006","10.8033","0.0007","12.4837","0.0008","80.406","0.003","87.668","0.003","65.837","0.002","1149.77","0.13","140","","140","","","","","","","","","6","P -1","-P 1","2","","[Chlorido(1-(4''-methoxybenzyl)-4-(2'-kC)-phenyl-(3-kN)-1,2,3-triazolato) (n6-p-cymene)osmium (II)]","","- C26 H28 Cl N3 O Os -","- C26 H28 Cl N3 O Os -","- C52 H56 Cl2 N6 O2 Os2 -","2","1","","Riedl, Christoph A.; Flocke, Lea S.; Hejl, Michaela; Roller, Alexander; Klose, Matthias H. M.; Jakupec, Michael A.; Kandioller, Wolfgang; Keppler, Bernhard K.","Introducing the 4-Phenyl-1,2,3-Triazole Moiety as a Versatile Scaffold for the Development of Cytotoxic Ruthenium(II) and Osmium(II) Arene Cyclometalates.","Inorganic chemistry","2017","56","1","528","541","10.1021/acs.inorgchem.6b02430","","","0.71073","MoKα","","0.0423","0.0328","","","0.0616","0.0648","","","","","","1.02","","","","has coordinates","191271","2020-10-21","18:00:00",""
"4345138","10.0609","0.0003","10.5393","0.0003","11.3932","0.0003","76.6641","0.0013","73.8971","0.0012","79.9377","0.0012","1121.43","0.06","100","","100","","","","","","","","","6","P -1","-P 1","2","","[Chlorido(methyl-2''-(4-(2'-kC)-phenyl-(3-kN)-1,2,3-triazol-1-yl)acetato) (n6-p-cymene)osmium (II)]","","- C43 H50 Cl4 N6 O4 Os2 -","- C43 H50 Cl4 N6 O4 Os2 -","- C43 H50 Cl4 N6 O4 Os2 -","1","0.5","","Riedl, Christoph A.; Flocke, Lea S.; Hejl, Michaela; Roller, Alexander; Klose, Matthias H. M.; Jakupec, Michael A.; Kandioller, Wolfgang; Keppler, Bernhard K.","Introducing the 4-Phenyl-1,2,3-Triazole Moiety as a Versatile Scaffold for the Development of Cytotoxic Ruthenium(II) and Osmium(II) Arene Cyclometalates.","Inorganic chemistry","2017","56","1","528","541","10.1021/acs.inorgchem.6b02430","","","0.71073","MoKα","","0.0251","0.0213","","","0.0447","0.0459","","","","","","1.094","","","","has coordinates,has disorder","191271","2020-10-21","18:00:00",""
"4345139","9.6703","0.0008","25.854","0.002","10.9202","0.0006","90","","104.89","0.002","90","","2638.5","0.3","130","","130","","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","[Chlorido (1-benzyl-4-(2'-kC)-phenyl-(3-kN)-1,2,3-triazolato) (n6-p-cymene)osmium(II)]","","- C26 H27 Cl4 N3 Os -","- C26 H27 Cl4 N3 Os -","- C104 H108 Cl16 N12 Os4 -","4","1","","Riedl, Christoph A.; Flocke, Lea S.; Hejl, Michaela; Roller, Alexander; Klose, Matthias H. M.; Jakupec, Michael A.; Kandioller, Wolfgang; Keppler, Bernhard K.","Introducing the 4-Phenyl-1,2,3-Triazole Moiety as a Versatile Scaffold for the Development of Cytotoxic Ruthenium(II) and Osmium(II) Arene Cyclometalates.","Inorganic chemistry","2017","56","1","528","541","10.1021/acs.inorgchem.6b02430","","","0.71073","MoKα","","0.0624","0.0396","","","0.0731","0.0812","","","","","","1.024","","","","has coordinates,has disorder","191271","2020-10-21","18:00:00",""
"4345140","9.8442","0.0003","9.9364","0.0003","11.6969","0.0005","71.607","0.001","72.9617","0.0014","88.0034","0.001","1035.95","0.06","100","","100","","","","","","","","","6","P -1","-P 1","2","","[Chlorido(methyl-2''-(4-(2'-kC)-phenyl-(3-kN)-1,2,3-triazol-1-yl)acetato) (n6-p-cymene)ruthenium(II)]","","- C21 H24 Cl N3 O2 Ru -","- C21 H24 Cl N3 O2 Ru -","- C42 H48 Cl2 N6 O4 Ru2 -","2","1","","Riedl, Christoph A.; Flocke, Lea S.; Hejl, Michaela; Roller, Alexander; Klose, Matthias H. M.; Jakupec, Michael A.; Kandioller, Wolfgang; Keppler, Bernhard K.","Introducing the 4-Phenyl-1,2,3-Triazole Moiety as a Versatile Scaffold for the Development of Cytotoxic Ruthenium(II) and Osmium(II) Arene Cyclometalates.","Inorganic chemistry","2017","56","1","528","541","10.1021/acs.inorgchem.6b02430","","","0.71073","MoKα","","0.0215","0.0193","","","0.0474","0.048","","","","","","1.062","","","","has coordinates","191271","2020-10-21","18:00:00",""
"4345141","28.6971","0.0011","28.6971","0.0011","10.0994","0.0005","90","","90","","90","","8317.1","0.6","100","","100","","","","","","","","","5","I 41/a","-I 4ad","88","","[Chlorido(1-butyl-4-(2'-kC)-phenyl-(3-kN)-1,2,3-triazolato) (n6-p-cymene)ruthenium(II)]","","- C22 H28 Cl N3 Ru -","- C22 H28 Cl N3 Ru -","- C352 H448 Cl16 N48 Ru16 -","16","","","Riedl, Christoph A.; Flocke, Lea S.; Hejl, Michaela; Roller, Alexander; Klose, Matthias H. M.; Jakupec, Michael A.; Kandioller, Wolfgang; Keppler, Bernhard K.","Introducing the 4-Phenyl-1,2,3-Triazole Moiety as a Versatile Scaffold for the Development of Cytotoxic Ruthenium(II) and Osmium(II) Arene Cyclometalates.","Inorganic chemistry","2017","56","1","528","541","10.1021/acs.inorgchem.6b02430","","","0.71073","MoKα","","0.0227","0.0199","","","0.0468","0.0479","","","","","","1.102","","","","has coordinates","191271","2020-10-21","18:00:00",""
"4345142","28.0525","0.0015","28.0525","0.0015","10.1626","0.0006","90","","90","","90","","7997.4","0.8","120","","120","","","","","","","","","5","I 41/a","-I 4ad","88","","[Chlorido(1-propyl-4-(2'-kC)-phenyl-(3-kN)-1,2,3-triazolato) (n6-p-cymene)ruthenium(II)]","","- C21 H26 Cl N3 Ru -","- C21 H26 Cl N3 Ru -","- C336 H416 Cl16 N48 Ru16 -","16","","","Riedl, Christoph A.; Flocke, Lea S.; Hejl, Michaela; Roller, Alexander; Klose, Matthias H. M.; Jakupec, Michael A.; Kandioller, Wolfgang; Keppler, Bernhard K.","Introducing the 4-Phenyl-1,2,3-Triazole Moiety as a Versatile Scaffold for the Development of Cytotoxic Ruthenium(II) and Osmium(II) Arene Cyclometalates.","Inorganic chemistry","2017","56","1","528","541","10.1021/acs.inorgchem.6b02430","","","0.71073","MoKα","","0.0822","0.0405","","","0.0648","0.0769","","","","","","0.999","","","","has coordinates","191271","2020-10-21","18:00:00",""
"4345143","11.9911","0.0004","13.916","0.0004","15.2047","0.0005","72.6541","0.0012","78.1325","0.0012","78.1211","0.001","2341.49","0.13","100","","100","","","","","","","","","6","P -1","-P 1","2","","[Chlorido(1-(4''-methoxybenzyl)-4-(2'-kC)-phenyl-(3-kN)-1,2,3-triazolato) (n6-p-cymene)ruthenium(II)]","","- C26 H28 Cl N3 O Ru -","- C26 H28 Cl N3 O Ru -","- C104 H112 Cl4 N12 O4 Ru4 -","4","2","","Riedl, Christoph A.; Flocke, Lea S.; Hejl, Michaela; Roller, Alexander; Klose, Matthias H. M.; Jakupec, Michael A.; Kandioller, Wolfgang; Keppler, Bernhard K.","Introducing the 4-Phenyl-1,2,3-Triazole Moiety as a Versatile Scaffold for the Development of Cytotoxic Ruthenium(II) and Osmium(II) Arene Cyclometalates.","Inorganic chemistry","2017","56","1","528","541","10.1021/acs.inorgchem.6b02430","","","0.71073","MoKα","","0.0835","0.0421","","","0.0704","0.0799","","","","","","1.005","","","","has coordinates","191271","2020-10-21","18:00:00",""
"4345144","10.75","0.003","11.762","0.004","18.936","0.005","91.261","0.016","97.253","0.015","106.26","0.015","2276","1.2","140","","140","","","","","","","","","5","P -1","-P 1","2","","[Chlorido(1-benzyl-4-(2'-kC)-phenyl-(3-kN)-1,2,3-triazolato) (n6-p-cymene)ruthenium(II)]","","- C25 H26 Cl N3 Ru -","- C25 H26 Cl N3 Ru -","- C100 H104 Cl4 N12 Ru4 -","4","2","","Riedl, Christoph A.; Flocke, Lea S.; Hejl, Michaela; Roller, Alexander; Klose, Matthias H. M.; Jakupec, Michael A.; Kandioller, Wolfgang; Keppler, Bernhard K.","Introducing the 4-Phenyl-1,2,3-Triazole Moiety as a Versatile Scaffold for the Development of Cytotoxic Ruthenium(II) and Osmium(II) Arene Cyclometalates.","Inorganic chemistry","2017","56","1","528","541","10.1021/acs.inorgchem.6b02430","","","0.71073","MoKα","","0.1105","0.0575","","","0.1135","0.1354","","","","","","0.975","","","","has coordinates","191271","2020-10-21","18:00:00",""
"4345145","15.094","0.005","15.389","0.005","15.719","0.005","102.092","0.005","109.366","0.005","109.082","0.005","3041.4","1.7","113","2","113","2","","","","","","","","6","P -1","-P 1","2","Mo2-1b","","","- C68 H67 Mo2 N6 O9 P -","- C68 H67 Mo2 N6 O9 P -","- C136 H134 Mo4 N12 O18 P2 -","2","1","","Rej, Supriya; Majumdar, Moumita; Kando, Shun; Sugino, Yoshitaka; Tsurugi, Hayato; Mashima, Kazushi","Mixed Ligated Tris(amidinate)dimolybdenum Complexes as Catalysts for Radical Addition of CCl4 to 1-Hexene: Leaving Ligand Lability Controls Catalyst Activity.","Inorganic chemistry","2017","56","1","634","644","10.1021/acs.inorgchem.6b02525","","","0.71069","MoKα","","0.29","0.0957","","","0.1586","0.249","","","","","","0.961","","","","has coordinates","191272","2020-10-21","18:00:00",""
"4345146","13.514","0.005","19.201","0.005","23.132","0.005","66.515","0.005","81.976","0.005","71.66","0.005","5225","3","113","","113","","","","","","","","","5","P -1","-P 1","2","","","","- C57 H61 Mo2 N7 O9.5 -","- C57 H61 Mo2 N7 O9.5 -","- C228 H244 Mo8 N28 O38 -","4","2","","Rej, Supriya; Majumdar, Moumita; Kando, Shun; Sugino, Yoshitaka; Tsurugi, Hayato; Mashima, Kazushi","Mixed Ligated Tris(amidinate)dimolybdenum Complexes as Catalysts for Radical Addition of CCl4 to 1-Hexene: Leaving Ligand Lability Controls Catalyst Activity.","Inorganic chemistry","2017","56","1","634","644","10.1021/acs.inorgchem.6b02525","","","0.71075","MoKα","","0.0884","0.0571","","","0.1314","0.1621","","","","","","1.061","","","","has coordinates","251896","2020-10-21","18:00:00",""
"4345147","12.3493","0.0018","14.3041","0.0017","15.415","0.002","107.527","0.003","110.704","0.004","100.444","0.001","2299","0.5","113","2","113","2","","","","","","","","5","P -1","-P 1","2","Mo2-1e","","","- C50 H48 Mo2 N6 O9 -","- C50 H48 Mo2 N6 O9 -","- C100 H96 Mo4 N12 O18 -","2","1","","Rej, Supriya; Majumdar, Moumita; Kando, Shun; Sugino, Yoshitaka; Tsurugi, Hayato; Mashima, Kazushi","Mixed Ligated Tris(amidinate)dimolybdenum Complexes as Catalysts for Radical Addition of CCl4 to 1-Hexene: Leaving Ligand Lability Controls Catalyst Activity.","Inorganic chemistry","2017","56","1","634","644","10.1021/acs.inorgchem.6b02525","","","0.71075","MoKα","","0.0378","0.0315","","","0.0709","0.0745","","","","","","1.038","","","","has coordinates","191272","2020-10-21","18:00:00",""
"4345148","11.378","0.004","17.425","0.007","25.546","0.01","90","","93.198","0.003","90","","5057","3","113","","113","","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C50 H53 F3 Mo2 N6 O10 S -","- C50 H52 F3 Mo2 N6 O10 S -","- C200 H208 F12 Mo8 N24 O40 S4 -","4","1","","Rej, Supriya; Majumdar, Moumita; Kando, Shun; Sugino, Yoshitaka; Tsurugi, Hayato; Mashima, Kazushi","Mixed Ligated Tris(amidinate)dimolybdenum Complexes as Catalysts for Radical Addition of CCl4 to 1-Hexene: Leaving Ligand Lability Controls Catalyst Activity.","Inorganic chemistry","2017","56","1","634","644","10.1021/acs.inorgchem.6b02525","","","0.71075","MoKα","","0.1146","0.0963","","","0.1936","0.2055","","","","","","1.176","","","","has coordinates","191272","2020-10-21","18:00:00",""
"4345149","13.045","0.002","9.6531","0.0016","37.691","0.011","90","","90.098","0.013","90","","4746.2","1.8","113","","113","","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C50 H50 Cl Mo2 N7 O6 -","- C50 H50 Cl Mo2 N7 O6 -","- C200 H200 Cl4 Mo8 N28 O24 -","4","1","","Rej, Supriya; Majumdar, Moumita; Kando, Shun; Sugino, Yoshitaka; Tsurugi, Hayato; Mashima, Kazushi","Mixed Ligated Tris(amidinate)dimolybdenum Complexes as Catalysts for Radical Addition of CCl4 to 1-Hexene: Leaving Ligand Lability Controls Catalyst Activity.","Inorganic chemistry","2017","56","1","634","644","10.1021/acs.inorgchem.6b02525","","","0.71075","MoKα","","0.1689","0.1279","","","0.2561","0.2816","","","","","","1.224","","","","has coordinates","191272","2020-10-21","18:00:00",""
"4345150","11.9629","0.0003","17.3107","0.0004","15.2764","0.0004","90","","109.725","0.003","90","","2977.91","0.14","130","","130","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C22 H38 B10 P2 Se2 -","- C22 H38 B10 P2 Se2 -","- C88 H152 B40 P8 Se8 -","4","1","","Coburger, Peter; Schulz, Jan; Klose, Jennifer; Schwarze, Benedikt; Sárosi, Menyhárt B; Hey-Hawkins, Evamarie","C2-Symmetric P,N Ligands Derived from Carborane-Based Diphosphetanes: Synthesis and Coordination Chemistry.","Inorganic chemistry","2017","56","1","292","304","10.1021/acs.inorgchem.6b02173","","","0.71073","MoKα","","0.084","0.0443","","","0.0942","0.1128","","","","","","1.045","","","","has coordinates","191273","2020-10-21","18:00:00",""
"4345151","16.7241","0.0003","18.1758","0.0003","10.6282","0.0002","90","","97.608","0.002","90","","3202.26","0.1","130","","130","","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C22 H36 B10 Cl2 P2 S2 -","- C22 H36 B10 Cl2 P2 S2 -","- C88 H144 B40 Cl8 P8 S8 -","4","1","","Coburger, Peter; Schulz, Jan; Klose, Jennifer; Schwarze, Benedikt; Sárosi, Menyhárt B; Hey-Hawkins, Evamarie","C2-Symmetric P,N Ligands Derived from Carborane-Based Diphosphetanes: Synthesis and Coordination Chemistry.","Inorganic chemistry","2017","56","1","292","304","10.1021/acs.inorgchem.6b02173","","","0.71073","MoKα","","0.0367","0.0313","","","0.077","0.0798","","","","","","1.04","","","","has coordinates","191273","2020-10-21","18:00:00",""
"4345152","19.0046","0.0005","15.8477","0.0004","20.1583","0.0004","90","","90.438","0.002","90","","6071.1","0.3","130","","130","","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C44 H77 B20 N4 P4 S4 -","- C44 H77 B20 N4 P4 S4 -","- C176 H308 B80 N16 P16 S16 -","4","1","","Coburger, Peter; Schulz, Jan; Klose, Jennifer; Schwarze, Benedikt; Sárosi, Menyhárt B; Hey-Hawkins, Evamarie","C2-Symmetric P,N Ligands Derived from Carborane-Based Diphosphetanes: Synthesis and Coordination Chemistry.","Inorganic chemistry","2017","56","1","292","304","10.1021/acs.inorgchem.6b02173","","","0.71073","MoKα","","0.1096","0.0661","","","0.137","0.1551","","","","","","1.032","","","","has coordinates","191273","2020-10-21","18:00:00",""
"4345153","9.9624","0.0002","10.919","0.0002","16.5529","0.0003","94.703","0.002","94.465","0.002","110.336","0.002","1671.77","0.06","130","","130","","","","","","","","","8","P -1","-P 1","2","","","","- C22 H40 B10 Cu I N2 P2 S2 -","- C22 H40 B10 Cu I N2 P2 S2 -","- C44 H80 B20 Cu2 I2 N4 P4 S4 -","2","1","","Coburger, Peter; Schulz, Jan; Klose, Jennifer; Schwarze, Benedikt; Sárosi, Menyhárt B; Hey-Hawkins, Evamarie","C2-Symmetric P,N Ligands Derived from Carborane-Based Diphosphetanes: Synthesis and Coordination Chemistry.","Inorganic chemistry","2017","56","1","292","304","10.1021/acs.inorgchem.6b02173","","","0.71073","MoKα","","0.0341","0.026","","","0.0525","0.055","","","","","","1.058","","","","has coordinates","191273","2020-10-21","18:00:00",""
"4345154","17.5353","0.0003","10.104","0.0002","24.1174","0.0006","90","","100.93","0.002","90","","4195.53","0.15","130","","130","","","","","","","","","9","P 1 21/n 1","-P 2yn","14","","","","- C27.91 H40 Ag B10 F3 N2 O3 P2 S3 -","- C27.907 H40 Ag B10 F3 N2 O3 P2 S3 -","- C111.628 H160 Ag4 B40 F12 N8 O12 P8 S12 -","4","1","","Coburger, Peter; Schulz, Jan; Klose, Jennifer; Schwarze, Benedikt; Sárosi, Menyhárt B; Hey-Hawkins, Evamarie","C2-Symmetric P,N Ligands Derived from Carborane-Based Diphosphetanes: Synthesis and Coordination Chemistry.","Inorganic chemistry","2017","56","1","292","304","10.1021/acs.inorgchem.6b02173","","","0.71073","MoKα","","0.0721","0.0513","","","0.1158","0.1258","","","","","","1.049","","","","has coordinates,has disorder","191273","2020-10-21","18:00:00",""
"4345155","10.8533","0.0005","16.9965","0.0007","19.5336","0.0009","90","","90.089","0.004","90","","3603.3","0.3","130","","130","","","","","","","","","9","P 1 21/c 1","-P 2ybc","14","","","","- C24 H44 B10 Cu F6 N2 O P3 S2 -","- C24 H44 B10 Cu F6 N2 O P3 S2 -","- C96 H176 B40 Cu4 F24 N8 O4 P12 S8 -","4","1","","Coburger, Peter; Schulz, Jan; Klose, Jennifer; Schwarze, Benedikt; Sárosi, Menyhárt B; Hey-Hawkins, Evamarie","C2-Symmetric P,N Ligands Derived from Carborane-Based Diphosphetanes: Synthesis and Coordination Chemistry.","Inorganic chemistry","2017","56","1","292","304","10.1021/acs.inorgchem.6b02173","","","0.71073","MoKα","","0.1987","0.1097","","","0.2409","0.2895","","","","","","1.039","","","","has coordinates","191273","2020-10-21","18:00:00",""
"4345156","12.1008","0.0002","16.4689","0.0003","18.0498","0.0002","85.479","0.001","89.326","0.001","76.557","0.002","3487.57","0.1","130","","130","","","","","","","","","9","P -1","-P 1","2","","","","- C24 H44 B10 Cu I N2 O P2 S2 -","- C24 H44 B10 Cu I N2 O P2 S2 -","- C96 H176 B40 Cu4 I4 N8 O4 P8 S8 -","4","2","","Coburger, Peter; Schulz, Jan; Klose, Jennifer; Schwarze, Benedikt; Sárosi, Menyhárt B; Hey-Hawkins, Evamarie","C2-Symmetric P,N Ligands Derived from Carborane-Based Diphosphetanes: Synthesis and Coordination Chemistry.","Inorganic chemistry","2017","56","1","292","304","10.1021/acs.inorgchem.6b02173","","","0.71073","MoKα","","0.0567","0.0381","","","0.076","0.0835","","","","","","1.026","","","","has coordinates","191273","2020-10-21","18:00:00",""
"4345157","14.7767","0.0006","14.8998","0.0004","23.7871","0.0006","83.519","0.002","89.019","0.003","89.103","0.003","5202.5","0.3","130","","130","","","","","","","","","9","P -1","-P 1","2","","","","- C22.33333 H38.66667 Ag B10 F3 N2 O3.33333 P2 S3 -","- C22.3333 H38.6667 Ag B10 F3 N2 O3.33333 P2 S3 -","- C134 H232 Ag6 B60 F18 N12 O20 P12 S18 -","6","3","","Coburger, Peter; Schulz, Jan; Klose, Jennifer; Schwarze, Benedikt; Sárosi, Menyhárt B; Hey-Hawkins, Evamarie","C2-Symmetric P,N Ligands Derived from Carborane-Based Diphosphetanes: Synthesis and Coordination Chemistry.","Inorganic chemistry","2017","56","1","292","304","10.1021/acs.inorgchem.6b02173","","","0.71073","MoKα","","0.1134","0.0471","","","0.0717","0.0807","","","","","","0.784","","","","has coordinates","252331","2020-10-21","18:00:00",""
"4345158","10.4996","0.0018","20.052","0.003","21.531","0.004","90","","91.388","0.002","90","","4531.8","1.3","90","2","90.15","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C54 H43 O6 P2 Ru2 -","- C54 H43 O6 P2 Ru2 -","- C216 H172 O24 P8 Ru8 -","4","1","","Yoshida, Jun; Kuwahara, Kyohei; Suzuki, Kota; Yuge, Hidetaka","Long-Range Intramolecular Electronic Communication in a Trinuclear Ruthenium Tropolonate Complex.","Inorganic chemistry","2017","56","4","1846","1856","10.1021/acs.inorgchem.6b02249","","","0.71073","MoKα","","0.0956","0.0529","","","0.1319","0.1574","","","","","","0.928","","","","has coordinates","193435","2020-10-21","18:00:00",""
"4345159","6.099","0.005","10.501","0.005","13.688","0.005","72.607","0.005","88.789","0.005","88.98","0.005","836.3","0.9","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C9 H13 Ce N3 O11 -","- C9 H3 Ce N3 O11 -","- C18 H6 Ce2 N6 O22 -","2","1","","Marinho, Maria Vanda; Reis, Daniella O.; Oliveira, Willian X. C.; Marques, Lippy F.; Stumpf, Humberto O.; Déniz, Mariadel; Pasán, Jorge; Ruiz-Pérez, Catalina; Cano, Joan; Lloret, Francesc; Julve, Miguel","Photoluminescent and Slow Magnetic Relaxation Studies on Lanthanide(III)-2,5-pyrazinedicarboxylate Frameworks.","Inorganic chemistry","2017","56","4","2108","2123","10.1021/acs.inorgchem.6b02774","","","1.5418","CuKα","","0.0305","0.0298","","","0.0819","0.0829","","","","","","1.073","","","","has coordinates","193426","2020-10-21","18:00:00",""
"4345160","6.0327","0.0002","12.7752","0.0004","13.1775","0.0005","118.99","0.004","90.575","0.003","91.67","0.002","887.61","0.06","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C18 H24 Er2 N6 O21 -","- C18 H6 Er2 N6 O21 -","- C18 H6 Er2 N6 O21 -","1","0.5","","Marinho, Maria Vanda; Reis, Daniella O.; Oliveira, Willian X. C.; Marques, Lippy F.; Stumpf, Humberto O.; Déniz, Mariadel; Pasán, Jorge; Ruiz-Pérez, Catalina; Cano, Joan; Lloret, Francesc; Julve, Miguel","Photoluminescent and Slow Magnetic Relaxation Studies on Lanthanide(III)-2,5-pyrazinedicarboxylate Frameworks.","Inorganic chemistry","2017","56","4","2108","2123","10.1021/acs.inorgchem.6b02774","","","1.5418","CuKα","","0.0302","0.0283","","","0.0826","0.0834","","","","","","1.112","","","","has coordinates,has disorder","193426","2020-10-21","18:00:00",""
"4345161","6.052","0.0002","10.4994","0.0003","13.4547","0.0004","71.63","0.003","89.254","0.003","89.101","0.003","811.25","0.05","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C9 H13 Eu N3 O11 -","- C9 H3 Eu N3 O11 -","- C18 H6 Eu2 N6 O22 -","2","1","","Marinho, Maria Vanda; Reis, Daniella O.; Oliveira, Willian X. C.; Marques, Lippy F.; Stumpf, Humberto O.; Déniz, Mariadel; Pasán, Jorge; Ruiz-Pérez, Catalina; Cano, Joan; Lloret, Francesc; Julve, Miguel","Photoluminescent and Slow Magnetic Relaxation Studies on Lanthanide(III)-2,5-pyrazinedicarboxylate Frameworks.","Inorganic chemistry","2017","56","4","2108","2123","10.1021/acs.inorgchem.6b02774","","","1.5418","CuKα","","0.0286","0.0274","","","0.0727","0.0731","","","","","","1.096","","","","has coordinates,has disorder","193426","2020-10-21","18:00:00",""
"4345162","12.417","0.0005","16.4991","0.0006","16.1653","0.0007","90","","95.651","0.004","90","","3295.7","0.2","293","2","293","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C25 H31 Cu2 I4 N5 -","- C25 H31 Cu2 I4 N5 -","- C100 H124 Cu8 I16 N20 -","4","1","","Mendoza-Espinosa, Daniel; Alvarez-Hernández, Alejandro; Angeles-Beltrán, Deyanira; Negrón-Silva, Guillermo E; Suárez-Castillo, Oscar R; Vásquez-Pérez, José M","Bridged N-Heterocyclic/Mesoionic (NHC/MIC) Heterodicarbenes as Ligands for Transition Metal Complexes.","Inorganic chemistry","2017","56","4","2092","2099","10.1021/acs.inorgchem.6b02778","","","0.71073","MoKα","","0.0449","0.0298","","","0.0628","0.0699","","","","","","1.012","","","","has coordinates","193424","2020-10-21","18:00:00",""
"4345163","21.6108","0.0008","13.2513","0.0006","26.3273","0.0012","90","","90","","90","","7539.4","0.6","293","2","293","2","","","","","","","","6","P b c a","-P 2ac 2ab","61","","","","- C32 H41 Cl2 I2 N5 Pd2 -","- C32 H41 Cl2 I2 N5 Pd2 -","- C256 H328 Cl16 I16 N40 Pd16 -","8","1","","Mendoza-Espinosa, Daniel; Alvarez-Hernández, Alejandro; Angeles-Beltrán, Deyanira; Negrón-Silva, Guillermo E; Suárez-Castillo, Oscar R; Vásquez-Pérez, José M","Bridged N-Heterocyclic/Mesoionic (NHC/MIC) Heterodicarbenes as Ligands for Transition Metal Complexes.","Inorganic chemistry","2017","56","4","2092","2099","10.1021/acs.inorgchem.6b02778","","","0.71073","MoKα","","0.0922","0.0653","","","0.1607","0.1904","","","","","","1.144","","","","has coordinates","193424","2020-10-21","18:00:00",""
"4345164","14.083","0.0004","5.3517","0.0011","18.7291","0.0014","90","","90","","90","","1411.6","0.3","293","2","293","2","","","","","","","","4","P c a 21","P 2c -2ac","29","","","","- La Na3 O8 P2 -","- La Na3 O8 P2 -","- La8 Na24 O64 P16 -","8","2","","Zhao, Dan; Ma, Fa-Xue; Ma, Shu-Qi; Zhang, Ai-Yun; Nie, Cong-Kui; Huang, Min; Zhang, Lei; Fan, Yun-Chang","Four-Dimensional Incommensurate Modulation and Luminescent Properties of Host Material Na3La(PO4)2.","Inorganic chemistry","2017","56","4","1835","1845","10.1021/acs.inorgchem.6b02241","","x-ray","0.71073","MoKα","","0.1076","0.0391","","","0.0403","0.0462","","","","1.36","1.36","1.03","","","","has coordinates","193414","2020-10-21","18:00:00",""
"4345165","8.5731","0.0007","25.247","0.002","16.6358","0.0011","90","","94.704","0.007","90","","3588.6","0.5","150","2","150","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C76 H88 Cl4 Cu F8 N10 -","- C76 H88 Cl4 Cu F8 N10 -","- C152 H176 Cl8 Cu2 F16 N20 -","2","0.5","","Konarev, Dmitri V.; Troyanov, Sergey I.; Kuzmin, Alexey V.; Nakano, Yoshiaki; Ishikawa, Manabu; Faraonov, Maxim A.; Khasanov, Salavat S.; Litvinov, Alexey L.; Otsuka, Akihiro; Yamochi, Hideki; Saito, Gunzi; Lyubovskaya, Rimma N.","The Salts of Copper Octafluoro- and Hexadecafluorophthalocyanines Containing [Cu(II)(F8Pc)(4-)](2-) Dianions and [CuF16Pc](-) Monoanions.","Inorganic chemistry","2017","56","4","1804","1813","10.1021/acs.inorgchem.6b01932","","","0.71073","MoKα","","0.257","0.1157","","","0.1507","0.1964","","","","","","1.042","","","","has coordinates,has disorder","193428","2020-10-21","18:00:00",""
"4345166","22.847","0.001","9.9281","0.0003","40.385","0.001","90","","97.718","0.005","90","","9077.4","0.5","100","2","100","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C218 H100 Cu3 F48 N29 P6 -","- C218 H100 Cu3 F48 N29 P6 -","- C436 H200 Cu6 F96 N58 P12 -","2","0.5","","Konarev, Dmitri V.; Troyanov, Sergey I.; Kuzmin, Alexey V.; Nakano, Yoshiaki; Ishikawa, Manabu; Faraonov, Maxim A.; Khasanov, Salavat S.; Litvinov, Alexey L.; Otsuka, Akihiro; Yamochi, Hideki; Saito, Gunzi; Lyubovskaya, Rimma N.","The Salts of Copper Octafluoro- and Hexadecafluorophthalocyanines Containing [Cu(II)(F8Pc)(4-)](2-) Dianions and [CuF16Pc](-) Monoanions.","Inorganic chemistry","2017","56","4","1804","1813","10.1021/acs.inorgchem.6b01932","","","0.84344","synchrotron","","0.0451","0.0418","","","0.1009","0.1029","","","","","","1.009","","","","has coordinates,has disorder","193428","2020-10-21","18:00:00",""
"4345167","15.2345","0.0004","16.9566","0.0004","19.4273","0.0005","101.572","0.002","96.479","0.002","111.128","0.002","4490.9","0.2","133","2","133","2","","","","","","","","5","P -1","-P 1","2","","","","- C106.18 H116.68 N8 O5.95 Pd1.05 -","- C106.182 H116.677 N8 O5.9501 Pd1.0499 -","- C212.364 H233.353 N16 O11.9002 Pd2.0998 -","2","1","","Vogel, Anastasia; Dechert, Sebastian; Brückner, Christian; Meyer, Franc","Reaching across the Divide: How Monometalation of One Binding Pocket Affects the Empty Binding Pocket in a Siamese-Twin Porphyrin Palladium Complex.","Inorganic chemistry","2017","56","4","2221","2232","10.1021/acs.inorgchem.6b02916","","","0.71073","MoKα","","0.0517","0.0387","","","0.0929","0.0973","","","","","","1.022","","","","has coordinates,has disorder","193422","2020-10-21","18:00:00",""
"4345168","35.2667","0.001","11.9903","0.0005","25.8605","0.0007","90","","127.407","0.002","90","","8686.4","0.5","133","2","133","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C92 H80 N8 Pd2 -","- C92 H80 N8 Pd2 -","- C368 H320 N32 Pd8 -","4","0.5","","Vogel, Anastasia; Dechert, Sebastian; Brückner, Christian; Meyer, Franc","Reaching across the Divide: How Monometalation of One Binding Pocket Affects the Empty Binding Pocket in a Siamese-Twin Porphyrin Palladium Complex.","Inorganic chemistry","2017","56","4","2221","2232","10.1021/acs.inorgchem.6b02916","","","0.71073","MoKα","","0.0793","0.0626","","","0.1731","0.1836","","","","","","1.055","","","","has coordinates","193422","2020-10-21","18:00:00",""
"4345169","8.694","0.002","29.112","0.007","18.738","0.004","90","","117.644","0.008","90","","4201.2","1.7","298","2","298","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C84 H57 Eu4 O39 -","- C84 H57 Eu4 O39 -","- C168 H114 Eu8 O78 -","2","0.5","","Yang, Dandan; Tian, Yun; Xu, Wenlong; Cao, Xiaowei; Zheng, Shaojun; Ju, Qiang; Huang, Wei; Fang, Zhenlan","A Series of Lanthanide-Based Metal-Organic Frameworks: Synthesis, Structures, and Multicolor Tuning of Single Component.","Inorganic chemistry","2017","56","4","2345","2353","10.1021/acs.inorgchem.7b00074","","","0.71073","MoKα","","0.0852","0.0571","","","0.165","0.1878","","","","","","1.033","","","","has coordinates","193425","2020-10-21","18:00:00",""
"4345170","8.6213","0.0006","29.011","0.002","18.6323","0.0011","90","","117.562","0.002","90","","4131.3","0.5","298","2","298","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C84 H57 O39 Tb4 -","- C84 H57 O39 Tb4 -","- C168 H114 O78 Tb8 -","2","0.5","","Yang, Dandan; Tian, Yun; Xu, Wenlong; Cao, Xiaowei; Zheng, Shaojun; Ju, Qiang; Huang, Wei; Fang, Zhenlan","A Series of Lanthanide-Based Metal-Organic Frameworks: Synthesis, Structures, and Multicolor Tuning of Single Component.","Inorganic chemistry","2017","56","4","2345","2353","10.1021/acs.inorgchem.7b00074","","","0.71073","MoKα","","0.0786","0.0514","","","0.1492","0.1683","","","","","","1.053","","","","has coordinates","193425","2020-10-21","18:00:00",""
"4345171","8.655","0.0017","29.042","0.006","18.67","0.003","90","","117.618","0.006","90","","4158.1","1.4","298","2","298","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C84 H58 Dy4 O39 -","- C84 H58 Dy4 O39 -","- C168 H116 Dy8 O78 -","2","0.5","","Yang, Dandan; Tian, Yun; Xu, Wenlong; Cao, Xiaowei; Zheng, Shaojun; Ju, Qiang; Huang, Wei; Fang, Zhenlan","A Series of Lanthanide-Based Metal-Organic Frameworks: Synthesis, Structures, and Multicolor Tuning of Single Component.","Inorganic chemistry","2017","56","4","2345","2353","10.1021/acs.inorgchem.7b00074","","","0.71073","MoKα","","0.0942","0.0603","","","0.1734","0.1947","","","","","","1.056","","","","has coordinates","193425","2020-10-21","18:00:00",""
"4345172","48.1145","0.0014","26.6472","0.0018","28.6307","0.001","90","","90","","90","","36708","3","173","2","173","2","","","","","","","","5","C m c 21","C 2c -2","36","","","","- C104 H500 Cl21 O378 Tb37 -","- C104 H175 Cl14 O250 Tb37 -","- C416 H700 Cl56 O1000 Tb148 -","4","0.5","","Zhou, Yang; Zheng, Xiu-Ying; Cai, Jing; Hong, Zi-Feng; Yan, Zhi-Hao; Kong, Xiang-Jian; Ren, Yan-Ping; Long, La-Sheng; Zheng, Lan-Sun","Three Giant Lanthanide Clusters Ln37 (Ln = Gd, Tb, and Eu) Featuring A Double-Cage Structure.","Inorganic chemistry","2017","56","4","2037","2041","10.1021/acs.inorgchem.6b02714","","","0.71073","MoKα","","0.1011","0.0693","","","0.1246","0.1364","","","","","","0.969","","","","has coordinates","193410","2020-10-21","18:00:00",""
"4345173","49.948","0.01","27.552","0.006","29.639","0.006","90","","90","","90","","40788","15","173","2","173","2","","","","","","","","5","C m c 21","C 2c -2","36","","","","- C104 H490 Cl21 Eu37 O378 -","- C104 H175 Cl14 Eu37 O250 -","- C416 H700 Cl56 Eu148 O1000 -","4","0.5","","Zhou, Yang; Zheng, Xiu-Ying; Cai, Jing; Hong, Zi-Feng; Yan, Zhi-Hao; Kong, Xiang-Jian; Ren, Yan-Ping; Long, La-Sheng; Zheng, Lan-Sun","Three Giant Lanthanide Clusters Ln37 (Ln = Gd, Tb, and Eu) Featuring A Double-Cage Structure.","Inorganic chemistry","2017","56","4","2037","2041","10.1021/acs.inorgchem.6b02714","","","0.71073","synchrotronMonochr","","0.0585","0.0555","","","0.143","0.1448","","","","","","1.025","","","","has coordinates","193410","2020-10-21","18:00:00",""
"4345174","12.2518","0.0001","12.2518","0.0001","7.2893","0.0002","90","","90","","90","","1094.17","0.03","20","0.1","20","0.1","","","","","","","","5","I -4","I -4","82","tetraphenyl phosphonium uranium hexafluoride","","","- C24 H20 F6 P U -","- C24 H20 F6 P U -","- C48 H40 F12 P2 U2 -","2","0.25","","Gianopoulos, Christopher G.; Zhurov, Vladimir V.; Minasian, Stefan G.; Batista, Enrique R.; Jelsch, Christian; Pinkerton, A. Alan","Bonding in Uranium(V) Hexafluoride Based on the Experimental Electron Density Distribution Measured at 20 K.","Inorganic chemistry","2017","56","4","1775","1778","10.1021/acs.inorgchem.6b02971","","","0.71073","MoKα","","0.0066","0.0066","","","0.0096","0.0096","","","","","","1.038","","","","has coordinates","193433","2020-10-21","18:00:00",""
"4345177","6.8601","0.0002","10.0648","0.0004","18.7786","0.0006","90","","90","","90","","1296.58","0.08","293","2","293","2","","","","","","","","6","P m c 21","P 2c -2","26","","","","- C9 H10 Ag I2 N S -","- C9 H10 Ag I2 N S -","- C36 H40 Ag4 I8 N4 S4 -","4","1","","Liu, Guang-Ning; Jiang, Xiao-Ming; Fan, Qing-Shun; Hussain, Muhammad Bilal; Li, Ke; Sun, Hui; Li, Xin-Yu; Liu, Wan-Qing; Li, Cuncheng","Water Stability Studies of Hybrid Iodoargentates Containing N-Alkylated or N-Protonated Structure Directing Agents: Exploring Noncentrosymmetric Hybrid Structures.","Inorganic chemistry","2017","56","4","1906","1918","10.1021/acs.inorgchem.6b02478","","","0.71073","MoKα","","0.0422","0.034","","","0.0792","0.0849","","","","","","1.043","","","","has coordinates","193432","2020-10-21","18:00:00",""
"4345178","19.286","0.003","19.286","0.003","7.4995","0.0015","90","","90","","90","","2789.4","0.8","293","2","293","2","","","","","","","","6","P 42/n :2","-P 4bc","86","","","","- C10 H12 Ag I2 N S -","- C10 H12 Ag I2 N S -","- C80 H96 Ag8 I16 N8 S8 -","8","1","","Liu, Guang-Ning; Jiang, Xiao-Ming; Fan, Qing-Shun; Hussain, Muhammad Bilal; Li, Ke; Sun, Hui; Li, Xin-Yu; Liu, Wan-Qing; Li, Cuncheng","Water Stability Studies of Hybrid Iodoargentates Containing N-Alkylated or N-Protonated Structure Directing Agents: Exploring Noncentrosymmetric Hybrid Structures.","Inorganic chemistry","2017","56","4","1906","1918","10.1021/acs.inorgchem.6b02478","","","0.71073","MoKα","","0.0403","0.0276","","","0.0575","0.0647","","","","","","1.01","","","","has coordinates","211418","2020-10-21","18:00:00",""
"4345179","11.0117","0.0013","13.913","0.0012","7.4683","0.0006","90","","100.718","0.009","90","","1124.23","0.19","293","2","293","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C7 H6 Ag I2 N S -","- C7 H6 Ag I2 N S -","- C28 H24 Ag4 I8 N4 S4 -","4","1","","Liu, Guang-Ning; Jiang, Xiao-Ming; Fan, Qing-Shun; Hussain, Muhammad Bilal; Li, Ke; Sun, Hui; Li, Xin-Yu; Liu, Wan-Qing; Li, Cuncheng","Water Stability Studies of Hybrid Iodoargentates Containing N-Alkylated or N-Protonated Structure Directing Agents: Exploring Noncentrosymmetric Hybrid Structures.","Inorganic chemistry","2017","56","4","1906","1918","10.1021/acs.inorgchem.6b02478","","","0.71073","MoKα","","0.0382","0.0284","","","0.0653","0.0721","","","","","","1.013","","","","has coordinates","211418","2020-10-21","18:00:00",""
"4345180","4.5663","0.0002","12.8097","0.0007","24.477","0.0011","90","","90","","90","","1431.73","0.12","293","2","293","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C7 H7 Ag2 I3 N2 S -","- C7 H7 Ag2 I3 N2 S -","- C28 H28 Ag8 I12 N8 S4 -","4","1","","Liu, Guang-Ning; Jiang, Xiao-Ming; Fan, Qing-Shun; Hussain, Muhammad Bilal; Li, Ke; Sun, Hui; Li, Xin-Yu; Liu, Wan-Qing; Li, Cuncheng","Water Stability Studies of Hybrid Iodoargentates Containing N-Alkylated or N-Protonated Structure Directing Agents: Exploring Noncentrosymmetric Hybrid Structures.","Inorganic chemistry","2017","56","4","1906","1918","10.1021/acs.inorgchem.6b02478","","","0.71073","MoKα","","0.0464","0.0349","","","0.0835","0.0943","","","","","","1.02","","","","has coordinates","211418","2020-10-21","18:00:00",""
"4345181","8.199","0.0006","9.5483","0.0007","10.2508","0.0007","88.628","0.004","70.942","0.004","85.674","0.004","756.35","0.1","200","2","200","2","","","","","","","","6","P -1","-P 1","2","","","","- C13 H17 N2 O3 Pt Re -","- C13 H17 N2 O3 Pt Re -","- C26 H34 N4 O6 Pt2 Re2 -","2","1","","Pichaandi, Kothanda Rama; Kabalan, Lara; Amini, Hashem; Zhang, Guanghui; Zhu, Hanyu; Kenttämaa, Hilkka I; Fanwick, Phillip E.; Miller, Jeffrey T.; Kais, Sabre; Nabavizadeh, S. Masoud; Rashdi, Mehdi; Abu-Omar, Mahdi M","Mechanism of Me-Re Bond Addition to Platinum(II) and Dioxygen Activation by the Resulting Pt-Re Bimetallic Center.","Inorganic chemistry","2017","56","4","2145","2152","10.1021/acs.inorgchem.6b02801","","","0.71073","MoKα","","0.0525","0.0332","","","0.0656","0.0714","","","","","","1.009","","","","has coordinates","193427","2020-10-21","18:00:00",""
"4345182","7.7513","0.0016","12.208","0.002","17.319","0.004","90","","91.37","0.03","90","","1638.4","0.6","298","2","298","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C13 H17 N2 O4 Pt Re -","- C13 H17 N2 O4 Pt Re -","- C52 H68 N8 O16 Pt4 Re4 -","4","1","","Pichaandi, Kothanda Rama; Kabalan, Lara; Amini, Hashem; Zhang, Guanghui; Zhu, Hanyu; Kenttämaa, Hilkka I; Fanwick, Phillip E.; Miller, Jeffrey T.; Kais, Sabre; Nabavizadeh, S. Masoud; Rashdi, Mehdi; Abu-Omar, Mahdi M","Mechanism of Me-Re Bond Addition to Platinum(II) and Dioxygen Activation by the Resulting Pt-Re Bimetallic Center.","Inorganic chemistry","2017","56","4","2145","2152","10.1021/acs.inorgchem.6b02801","","","0.71073","MoKα","","0.0541","0.0327","","","0.0832","0.0871","","","","","","0.856","","","","has coordinates","193427","2020-10-21","18:00:00",""
"4345183","11.3457","0.0001","12.6735","0.0002","14.5112","0.0002","87.0435","0.0008","80.274","0.0008","74.9231","0.001","1985.72","0.05","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","","","- C37 H51 B2 N13 U -","- C37 H51 B2 N13 U -","- C74 H102 B4 N26 U2 -","2","1","","Tatebe, Caleb J.; Zeller, Matthias; Bart, Suzanne C.","[2π+2π] Cycloaddition of Isocyanates to Uranium(IV) Imido Complexes for the Synthesis of U(IV) κ(2)-Ureato Compounds.","Inorganic chemistry","2017","56","4","1956","1965","10.1021/acs.inorgchem.6b02547","","","0.71073","MoKα","","0.0409","0.0289","","","0.0449","0.0469","","","","","","1.055","","","","has coordinates,has disorder","193415","2020-10-21","18:00:00",""
"4345184","12.8344","0.0002","19.4119","0.0003","21.6097","0.0003","90","","95.856","0.0012","90","","5355.75","0.14","100","2","100","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C55 H65 B2 N14 Se U -","- C55 H65 B2 N14 Se U -","- C220 H260 B8 N56 Se4 U4 -","4","1","","Tatebe, Caleb J.; Zeller, Matthias; Bart, Suzanne C.","[2π+2π] Cycloaddition of Isocyanates to Uranium(IV) Imido Complexes for the Synthesis of U(IV) κ(2)-Ureato Compounds.","Inorganic chemistry","2017","56","4","1956","1965","10.1021/acs.inorgchem.6b02547","","","1.54178","CuKα","","0.0485","0.0478","","","0.143","0.1449","","","","","","1.246","","","","has coordinates","193415","2020-10-21","18:00:00",""
"4345185","12.589","0.003","20.726","0.004","17.533","0.004","90","","90","","90","","4574.7","1.7","100","2","100","2","","","","","","","","5","P b c n","-P 2n 2ab","60","","","","- C40 H57 B2 N13 U -","- C40 H57 B2 N13 U -","- C160 H228 B8 N52 U4 -","4","0.5","","Tatebe, Caleb J.; Zeller, Matthias; Bart, Suzanne C.","[2π+2π] Cycloaddition of Isocyanates to Uranium(IV) Imido Complexes for the Synthesis of U(IV) κ(2)-Ureato Compounds.","Inorganic chemistry","2017","56","4","1956","1965","10.1021/acs.inorgchem.6b02547","","","1.54178","CuKα","","0.0699","0.0434","","","0.1105","0.1262","","","","","","1.059","","","","has coordinates,has disorder","193415","2020-10-21","18:00:00",""
"4345186","18.5218","0.0005","18.3754","0.0005","18.9777","0.0007","90","","118.13","0.002","90","","5696","0.3","100","2","100","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C61 H72 B2 N14 O U -","- C61 H72 B2 N14 O U -","- C244 H288 B8 N56 O4 U4 -","4","0.5","","Tatebe, Caleb J.; Zeller, Matthias; Bart, Suzanne C.","[2π+2π] Cycloaddition of Isocyanates to Uranium(IV) Imido Complexes for the Synthesis of U(IV) κ(2)-Ureato Compounds.","Inorganic chemistry","2017","56","4","1956","1965","10.1021/acs.inorgchem.6b02547","","","1.54178","CuKα","","0.0466","0.0464","","","0.1185","0.1187","","","","","","1.218","","","","has coordinates,has disorder","193415","2020-10-21","18:00:00",""
"4345187","11.0215","0.0003","12.3502","0.0003","19.0688","0.0006","84.311","0.001","80.106","0.001","81.467","0.001","2521.46","0.12","150","2","150","2","","","","","","","","5","P -1","-P 1","2","","","","- C17 H43.5 N5 O13.75 P -","- C17 H43.5 N5 O13.75 P -","- C68 H174 N20 O55 P4 -","4","2","","Krchová, Tereza; Herynek, Vít; Gálisová, Andrea; Blahut, Jan; Hermann, Petr; Kotek, Jan","Eu(III) Complex with DO3A-amino-phosphonate Ligand as a Concentration-Independent pH-Responsive Contrast Agent for Magnetic Resonance Spectroscopy (MRS).","Inorganic chemistry","2017","56","4","2078","2091","10.1021/acs.inorgchem.6b02749","","","0.71073","MoKα","","0.0751","0.0534","","","0.1397","0.1543","","","","","","1.03","","","","has coordinates,has disorder","193419","2020-10-21","18:00:00",""
"4345188","17.0622","0.0005","15.0828","0.0004","32.0872","0.0008","90","","91.17","0.001","90","","8255.8","0.4","275","2","275","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- As4 Co3 Na18 O154 W30 -","- As4 Co3 Na13.5 O154 W30 -","- As8 Co6 Na27 O308 W60 -","2","0.5","","Ayingone Mezui, Charyle S.; de Oliveira, Pedro; Teillout, Anne-Lucie; Marrot, Jérôme; Berthet, Patrick; Lebrini, Mounim; Mbomekallé, Israël M","Synthesis, Structure, and Magnetic Electrochemical Properties of a Family of Tungstoarsenates Containing Just Co(II) Centers or Both Co(II) and Fe(III) Centers.","Inorganic chemistry","2017","56","4","1999","2012","10.1021/acs.inorgchem.6b02593","","","0.71073","MoKα","","0.0947","0.0732","","","0.1912","0.2209","","","","","","1.058","","","","has coordinates","193429","2020-10-21","18:00:00",""
"4345189","12.3579","0.0004","36.6595","0.0015","17.992","0.0007","90","","90","","90","","8151","0.5","120","2","120","2","","","","","","","","7","P b c n","-P 2n 2ab","60","","","","- C61 H85 Cl5 Co2 Cr2 N14 O20 -","- C61 H85 Cl5 Co2 Cr2 N14 O20 -","- C244 H340 Cl20 Co8 Cr8 N56 O80 -","4","0.5","","Giner, Elena A.; Gómez-Gallego, Mar; Casarrubios, Luis; de la Torre, María C; Ramírez de Arellano, Carmen; Sierra, Miguel A.","Effect of a κ(1)-Bonded-M-1,2,3-triazole (M = Co, Ru) on the Structure and Reactivity of Group 6 Alkoxy (Fischer) Carbenes.","Inorganic chemistry","2017","56","5","2801","2811","10.1021/acs.inorgchem.6b02957","","","0.71073","MoKα","","0.2332","0.1157","","","0.2749","0.3769","","","","","","0.972","","","","has coordinates,has disorder","194796","2020-10-21","18:00:00",""
"4345190","15.3644","0.0012","16.4557","0.0007","23.4463","0.0018","90","","108.091","0.005","90","","5634.9","0.7","293","2","293","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C39 H73 Br2 Cu O16 P2 Ti4 -","- C39 H62 Br2 Cu O16 P2 Ti4 -","- C156 H248 Br8 Cu4 O64 P8 Ti16 -","4","1","","Wang, Jian-Fang; Fang, Wei-Hui; Li, Dong-Sheng; Zhang, Lei; Zhang, Jian","Cocrystal of {Ti4} and {Ti6} Clusters with Enhanced Photochemical Properties","Inorganic Chemistry","2017","","","","","10.1021/acs.inorgchem.6b02913","","","0.71073","MoKα","","0.0797","0.0638","","","0.1799","0.1968","","","","","","1.04","","","","has coordinates","191982","2020-10-21","18:00:00",""
"4345191","14.0105","0.0006","18.584","0.0008","16.6925","0.0012","90","","118.648","0.004","90","","3814.2","0.4","293","2","293","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C54 H86 Cl2 N2 O24 P2 Ti6 -","- C54 H86 Cl2 N2 O24 P2 Ti6 -","- C108 H172 Cl4 N4 O48 P4 Ti12 -","2","0.5","","Wang, Jian-Fang; Fang, Wei-Hui; Li, Dong-Sheng; Zhang, Lei; Zhang, Jian","Cocrystal of {Ti4} and {Ti6} Clusters with Enhanced Photochemical Properties","Inorganic Chemistry","2017","","","","","10.1021/acs.inorgchem.6b02913","","","0.71073","MoKα","","0.1115","0.0561","","","0.1342","0.1679","","","","","","1.029","","","","has coordinates","191982","2020-10-21","18:00:00",""
"4345192","30.412","0.01","13.125","0.005","24.283","0.009","90","","100.654","0.009","90","","9526","6","173","2","173","2","","","","","","","","9","P 1 21/c 1","-P 2ybc","14","","","","- C132 H228 Br4 Cl2 Cu2 N2 O56 P6 Ti14 -","- C132 H196 Br4 Cl2 Cu2 N2 O56 P6 Ti14 -","- C264 H392 Br8 Cl4 Cu4 N4 O112 P12 Ti28 -","2","0.5","","Wang, Jian-Fang; Fang, Wei-Hui; Li, Dong-Sheng; Zhang, Lei; Zhang, Jian","Cocrystal of {Ti4} and {Ti6} Clusters with Enhanced Photochemical Properties","Inorganic Chemistry","2017","","","","","10.1021/acs.inorgchem.6b02913","","","0.71073","MoKα","","0.1169","0.0794","","","0.2374","0.2871","","","","","","1.053","","","","has coordinates","191982","2020-10-21","18:00:00",""
"4345193","10.2469","0.0007","17.1602","0.0013","22.6606","0.0017","90","","100.924","0.001","90","","3912.4","0.5","100","2","100","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C47 H103 Fe4 N25 O22 Tb2 -","- C47 H103 Fe4 N25 O22 Tb2 -","- C94 H206 Fe8 N50 O44 Tb4 -","2","0.5","","Schmidt, Sebastian F. M.; Koo, Changhyun; Mereacre, Valeriu; Park, Jaena; Heermann, Dieter W.; Kataev, Vladislav; Anson, Christopher E.; Prodius, Denis; Novitchi, Ghenadie; Klingeler, Rüdiger; Powell, Annie K.","A Three-Pronged Attack To Investigate the Electronic Structure of a Family of Ferromagnetic Fe4Ln2 Cyclic Coordination Clusters: A Combined Magnetic Susceptibility, High-Field/High-Frequency Electron Paramagnetic Resonance, and (57)Fe Mössbauer Study.","Inorganic chemistry","2017","56","9","4796","4806","10.1021/acs.inorgchem.6b02682","","","0.71073","MoKα","","0.0666","0.0634","","","0.1528","0.1546","","","","","","1.249","","","","has coordinates,has disorder","196118","2020-10-21","18:00:00",""
"4345194","10.2598","0.001","17.091","0.003","22.703","0.002","90","","100.993","0.008","90","","3907.9","0.9","150","2","150","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C47 H103 Fe4 N25 O22 Y2 -","- C47 H103 Fe4 N25 O22 Y2 -","- C94 H206 Fe8 N50 O44 Y4 -","2","0.5","","Schmidt, Sebastian F. M.; Koo, Changhyun; Mereacre, Valeriu; Park, Jaena; Heermann, Dieter W.; Kataev, Vladislav; Anson, Christopher E.; Prodius, Denis; Novitchi, Ghenadie; Klingeler, Rüdiger; Powell, Annie K.","A Three-Pronged Attack To Investigate the Electronic Structure of a Family of Ferromagnetic Fe4Ln2 Cyclic Coordination Clusters: A Combined Magnetic Susceptibility, High-Field/High-Frequency Electron Paramagnetic Resonance, and (57)Fe Mössbauer Study.","Inorganic chemistry","2017","56","9","4796","4806","10.1021/acs.inorgchem.6b02682","","","0.71073","MoKα","","0.1004","0.07","","","0.1632","0.1761","","","","","","1.001","","","","has coordinates,has disorder","196118","2020-10-21","18:00:00",""
"4345195","10.2615","0.0008","17.3606","0.0014","22.6506","0.0017","90","","100.959","0.001","90","","3961.5","0.5","150","2","150","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C47 H103 Dy2 Fe4 N25 O22 -","- C47 H103 Dy2 Fe4 N25 O22 -","- C94 H206 Dy4 Fe8 N50 O44 -","2","0.5","","Schmidt, Sebastian F. M.; Koo, Changhyun; Mereacre, Valeriu; Park, Jaena; Heermann, Dieter W.; Kataev, Vladislav; Anson, Christopher E.; Prodius, Denis; Novitchi, Ghenadie; Klingeler, Rüdiger; Powell, Annie K.","A Three-Pronged Attack To Investigate the Electronic Structure of a Family of Ferromagnetic Fe4Ln2 Cyclic Coordination Clusters: A Combined Magnetic Susceptibility, High-Field/High-Frequency Electron Paramagnetic Resonance, and (57)Fe Mössbauer Study.","Inorganic chemistry","2017","56","9","4796","4806","10.1021/acs.inorgchem.6b02682","","","0.71073","MoKα","","0.0831","0.0503","","","0.129","0.1453","","","","","","1.025","","","","has coordinates,has disorder","196118","2020-10-21","18:00:00",""
"4345196","10.2661","0.0008","17.1652","0.0012","22.8568","0.0019","90","","100.929","0.007","90","","3954.8","0.5","150","2","150","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C45.4 H100.12 Fe4 Gd2 N25.96 O21.36 -","- C45.4 H100.12 Fe4 Gd2 N25.96 O21.36 -","- C90.8 H200.24 Fe8 Gd4 N51.92 O42.72 -","2","0.5","","Schmidt, Sebastian F. M.; Koo, Changhyun; Mereacre, Valeriu; Park, Jaena; Heermann, Dieter W.; Kataev, Vladislav; Anson, Christopher E.; Prodius, Denis; Novitchi, Ghenadie; Klingeler, Rüdiger; Powell, Annie K.","A Three-Pronged Attack To Investigate the Electronic Structure of a Family of Ferromagnetic Fe4Ln2 Cyclic Coordination Clusters: A Combined Magnetic Susceptibility, High-Field/High-Frequency Electron Paramagnetic Resonance, and (57)Fe Mössbauer Study.","Inorganic chemistry","2017","56","9","4796","4806","10.1021/acs.inorgchem.6b02682","","","0.71073","MoKα","","0.0916","0.0594","","","0.1403","0.1537","","","","","","0.986","","","","has coordinates,has disorder","196118","2020-10-21","18:00:00",""
"4345197","7.5121","0.0009","10.3596","0.0014","20.254","0.003","90","","94.119","0.01","90","","1572.1","0.4","150","2","150","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C19 H15 B F2 Fe N2 -","- C19 H15 B F2 Fe N2 -","- C76 H60 B4 F8 Fe4 N8 -","4","1","","Arkhypchuk, Anna I.; Orthaber, Andreas; Borbas, K. Eszter","Synthesis and Characterization of Ferrocenyl Chlorins, 1,1'-Ferrocene-Linked Chlorin Dimers, and their BODIPY Analogues.","Inorganic chemistry","2017","56","5","3044","3054","10.1021/acs.inorgchem.6b03158","","","0.71073","MoKα","","0.0743","0.0434","","","0.0838","0.0926","","","","","","1.028","","","","has coordinates","194783","2020-10-21","18:00:00",""
"4345198","16.2212","0.0003","8.4377","0.0002","22.4227","0.0004","90","","94.827","0.001","90","","3058.1","0.11","200","2","200","2","","","","","","","","8","P 1 21/c 1","-P 2ybc","14","","","","- C30 H30 F3 Ir N2 O5 Pt S -","- C30 H27 F3 Ir N2 O5 Pt S -","- C120 H108 F12 Ir4 N8 O20 Pt4 S4 -","4","1","","Moussa, Jamal; Loch, Aruny; Chamoreau, Lise-Marie; Degli Esposti, Alessandra; Bandini, Elisa; Barbieri, Andrea; Amouri, Hani","Luminescent Cyclometalated Platinum Complexes with π-Bonded Catecholate Organometallic Ligands.","Inorganic chemistry","2017","56","4","2050","2059","10.1021/acs.inorgchem.6b02731","","","0.71073","MoKα","","0.0656","0.0503","","","0.1179","0.1255","","","","","","1.101","","","","has coordinates","193411","2020-10-21","18:00:00",""
"4345199","20.82","0.0006","18.8098","0.0004","30.8575","0.0009","90","","98.669","0.003","90","","11946.4","0.6","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C80.5 H155.25 Co8 N7.75 O35 -","- C80.5 H153.25 Co8 N7.75 O35 -","- C322 H613 Co32 N31 O140 -","4","1","","Radu, Ioana; Kravtsov, Victor Ch; Ostrovsky, Serghei M.; Reu, Oleg S.; Krämer, Karl; Decurtins, Silvio; Liu, Shi-Xia; Klokishner, Sophia I.; Baca, Svetlana G.","Tetranuclear {Co(II)2Co(III)2}, Octanuclear {Co(II)4Co(III)4}, and Hexanuclear {Co(III)3Dy(III)3} Pivalate Clusters: Synthesis, Magnetic Characterization, and Theoretical Modeling.","Inorganic chemistry","2017","56","5","2662","2676","10.1021/acs.inorgchem.6b02827","","","0.71073","MoKα","","0.1308","0.0704","","","0.1799","0.2343","","","","","","1.001","","","","has coordinates,has disorder","194782","2020-10-21","18:00:00",""
"4345200","14.7986","0.0009","13.1965","0.0008","11.7993","0.0007","90","","90","","90","","2304.3","0.2","180","2","180","2","","","","","","","","5","P n a 21","P 2c -2n","33","N-(2,5-Dihydroxybenzyl)-N,N?-bis(2-pyridinylmethyl)-1,2- ethanediamine trifluoroacetate","","","- C23 H25 F3 N4 O4 -","- C23 H25 F3 N4 O4 -","- C92 H100 F12 N16 O16 -","4","1","","Yu, Meng; Ward, Meghan B.; Franke, Alicja; Ambrose, Stephen L.; Whaley, Zachary L.; Bradford, Thomas Miller; Gorden, John D.; Beyers, Ronald J.; Cattley, Russell C.; Ivanović-Burmazović, Ivana; Schwartz, Dean D.; Goldsmith, Christian R.","Adding a Second Quinol to a Redox-Responsive MRI Contrast Agent Improves Its Relaxivity Response to H2O2.","Inorganic chemistry","2017","56","5","2812","2826","10.1021/acs.inorgchem.6b02964","","","0.71073","MoKα","","0.0813","0.0496","","","0.1148","0.1231","","","","","","0.936","","","","has coordinates,has disorder","194794","2020-10-21","18:00:00",""
"4345201","9.6411","0.0002","21.9027","0.0006","15.3507","0.0004","90","","99.881","0.001","90","","3193.46","0.14","180","2","180","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","[Mn(H4qtp2)Br2]","","","- C30 H33 Br2 Mn N5 O5 -","- C28 H30 Br2 Mn N4 O4 -","- C112 H120 Br8 Mn4 N16 O16 -","4","1","","Yu, Meng; Ward, Meghan B.; Franke, Alicja; Ambrose, Stephen L.; Whaley, Zachary L.; Bradford, Thomas Miller; Gorden, John D.; Beyers, Ronald J.; Cattley, Russell C.; Ivanović-Burmazović, Ivana; Schwartz, Dean D.; Goldsmith, Christian R.","Adding a Second Quinol to a Redox-Responsive MRI Contrast Agent Improves Its Relaxivity Response to H2O2.","Inorganic chemistry","2017","56","5","2812","2826","10.1021/acs.inorgchem.6b02964","","","0.71073","MoKα","","0.0646","0.0566","","","0.1071","0.1104","","","","","","1.178","","","","has coordinates,has disorder","194794","2020-10-21","18:00:00",""
"4345202","34.991","0.002","34.991","0.002","34.991","0.002","90","","90","","90","","42842","4","180","2","180","2","","","","","","","","6","I a -3 d","-I 4bd 2c 3","230","","","","- C28 H26 Br2 Mn N4 O8 -","- C28 H26 Br2 Mn N4 O8 -","- C1344 H1248 Br96 Mn48 N192 O384 -","48","0.5","","Yu, Meng; Ward, Meghan B.; Franke, Alicja; Ambrose, Stephen L.; Whaley, Zachary L.; Bradford, Thomas Miller; Gorden, John D.; Beyers, Ronald J.; Cattley, Russell C.; Ivanović-Burmazović, Ivana; Schwartz, Dean D.; Goldsmith, Christian R.","Adding a Second Quinol to a Redox-Responsive MRI Contrast Agent Improves Its Relaxivity Response to H2O2.","Inorganic chemistry","2017","56","5","2812","2826","10.1021/acs.inorgchem.6b02964","","","0.71073","MoKα","","0.087","0.0578","","","0.164","0.2042","","","","","","1.115","","","","has coordinates","211196","2020-10-21","18:00:00",""
"4345203","10.6642","0.0004","10.8309","0.0004","15.6046","0.0005","98.548","0.001","95.572","0.001","102.921","0.001","1721.27","0.11","300","2","300","2","","","","","","","","3","P -1","-P 1","2","Niobium oxo phosphate","","","- Nb2 O15 P4 -","- Nb2 O15 P4 -","- Nb12 O90 P24 -","6","3","","Schildhammer, Daniel; Fuhrmann, Gerda; Petschnig, Lucas L.; Wurst, Klaus; Vitzthum, Daniela; Seibald, Markus; Schottenberger, Herwig; Huppertz, Hubert","Structural Redetermination and Photoluminescence Properties of the Niobium Oxyphosphate (NbO)2P4O13","Inorganic Chemistry","2017","","","","","10.1021/acs.inorgchem.6b02891","","","0.71073","MoKα","","0.0815","0.0447","","","0.0933","0.1035","","","","","","1.041","","","","has coordinates","192035","2020-10-21","18:00:00",""
"4345204","8.7418","0.0013","24.418","0.004","25.523","0.004","90","","90","","90","","5448.1","1.5","100","2","100","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C27 H37 In N2 O4 -","- C27 H37 In N2 O4 -","- C216 H296 In8 N16 O32 -","8","1","","Lee, Seon Hee; Shin, Nara; Kwak, Sang Woo; Hyun, Kyunglim; Woo, Won Hee; Lee, Ji Hye; Hwang, Hyonseok; Kim, Min; Lee, Junseong; Kim, Youngjo; Lee, Kang Mun; Park, Myung Hwan","Intriguing Indium-salen Complexes as Multicolor Luminophores.","Inorganic chemistry","2017","56","5","2621","2626","10.1021/acs.inorgchem.6b02797","","","0.71073","MoKα","","0.091","0.0444","","","0.1007","0.1163","","","","","","1.021","","","","has coordinates","194787","2020-10-21","18:00:00",""
"4345205","7.0324","0.0005","9.6314","0.0006","8.8053","0.0006","90","","103.724","0.007","90","","579.37","0.07","293","2","293","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- O7 S Te Th -","- O7 S Te Th -","- O28 S4 Te4 Th4 -","4","1","","Xiao, Bin; Kegler, Philip; Bosbach, Dirk; Alekseev, Evgeny V.","Thorium Chemistry in Oxo-Tellurium System under Extreme Conditions.","Inorganic chemistry","2017","56","5","2926","2935","10.1021/acs.inorgchem.6b03030","","","1.54184","CuKα","","0.0502","0.0483","","","0.1255","0.1271","","","","","","1.063","","","","has coordinates","194799","2020-10-21","18:00:00",""
"4345206","12.4379","0.0006","5.2898","0.0002","17.3601","0.0009","90","","130.678","0.003","90","","866.22","0.08","293","2","293","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- O11 Te3 Th2 -","- O11 Te3 Th2 -","- O44 Te12 Th8 -","4","1","","Xiao, Bin; Kegler, Philip; Bosbach, Dirk; Alekseev, Evgeny V.","Thorium Chemistry in Oxo-Tellurium System under Extreme Conditions.","Inorganic chemistry","2017","56","5","2926","2935","10.1021/acs.inorgchem.6b03030","","","0.71073","MoKα","","0.0465","0.0323","","","0.0852","0.1437","","","","","","1.153","","","","has coordinates","194799","2020-10-21","18:00:00",""
"4345207","11.4511","0.0008","7.3352","0.0005","12.4911","0.0013","90","","90","","90","","1049.2","0.15","293","2","293","2","","","","","","","","4","P n m a","-P 2ac 2n","62","","","","- K2 O12 Te3 Th -","- K2 O12 Te3 Th -","- K8 O48 Te12 Th4 -","4","0.5","","Xiao, Bin; Kegler, Philip; Bosbach, Dirk; Alekseev, Evgeny V.","Thorium Chemistry in Oxo-Tellurium System under Extreme Conditions.","Inorganic chemistry","2017","56","5","2926","2935","10.1021/acs.inorgchem.6b03030","","","0.71073","MoKα","","0.0491","0.0425","","","0.1008","0.1066","","","","","","1.033","","","","has coordinates","194799","2020-10-21","18:00:00",""
"4345208","14.7489","0.0011","15.111","0.0012","18.6349","0.0014","84.638","0.004","67.832","0.003","89.539","0.004","3827.7","0.5","100","2","100.15","","","","","","","","","5","P -1","-P 1","2","","","","- C87 H124 N5 O7 U -","- C87 H124 N5 O7 U -","- C174 H248 N10 O14 U2 -","2","1","","Rosenzweig, Michael W.; Heinemann, Frank W.; Maron, Laurent; Meyer, Karsten","Molecular and Electronic Structures of Eight-Coordinate Uranium Bipyridine Complexes: A Rare Example of a Bipy(2-) Ligand Coordinated to a U(4+) Ion.","Inorganic chemistry","2017","56","5","2792","2800","10.1021/acs.inorgchem.6b02954","","","0.71073","MoKα","","0.0353","0.0323","","","0.0755","0.0766","","","","","","1.156","","","","has coordinates,has disorder","194780","2020-10-21","18:00:00",""
"4345209","32.283","0.003","11.4771","0.0009","27.246","0.002","90","","90","","90","","10095.1","1.4","100","2","100","2","","","","","","","","6","P c a 21","P 2c -2ac","29","","","","- C107 H164 K N7 O9 U -","- C107 H164 K N7 O9 U -","- C428 H656 K4 N28 O36 U4 -","4","1","","Rosenzweig, Michael W.; Heinemann, Frank W.; Maron, Laurent; Meyer, Karsten","Molecular and Electronic Structures of Eight-Coordinate Uranium Bipyridine Complexes: A Rare Example of a Bipy(2-) Ligand Coordinated to a U(4+) Ion.","Inorganic chemistry","2017","56","5","2792","2800","10.1021/acs.inorgchem.6b02954","","","0.71073","MoKα","","0.0652","0.0558","","","0.1208","0.1233","","","","","","1.164","","","","has coordinates,has disorder","194780","2020-10-21","18:00:00",""
"4345210","12.35","0.003","26.233","0.005","15.19","0.003","90","","98.69","0.03","90","","4864.7","1.8","100","2","100","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C20 H13 N3 O5 Zn -","- C20 H13 N3 O5 Zn -","- C160 H104 N24 O40 Zn8 -","8","2","","Razavi, Sayed Ali Akbar; Masoomi, Mohammad Yaser; Islamoglu, Timur; Morsali, Ali; Xu, Yan; Hupp, Joseph T.; Farha, Omar K.; Wang, Jun; Junk, Peter C.","Improvement of Methane-Framework Interaction by Controlling Pore Size and Functionality of Pillared MOFs.","Inorganic chemistry","2017","","","","","10.1021/acs.inorgchem.6b02758","","","0.71073","MoKα","","0.12","0.1024","","","0.2748","0.2859","","","","","","1.067","","","","has coordinates","192167","2020-10-21","18:00:00",""
"4345211","32.614","0.008","18.976","0.004","17.57","0.004","90","","103.206","0.004","90","","10586","4","113","2","113","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C116 H64 Co2 N18 O17 -","- C116 H64 Co2 N18 O17 -","- C464 H256 Co8 N72 O68 -","4","0.5","","Chen, Qiang; Ma, Yuguang; Song, Wei-Chao; Chang, Ze; Li, Jian-Rong; Zhang, Jun; Sun, Hong-Wei; Balbuena, Perla B.; Bu, Xian-He","Why Porous Materials Have Selective Adsorptions: A Rational Aspect from Electrodynamics.","Inorganic chemistry","2017","56","5","2614","2620","10.1021/acs.inorgchem.6b02746","","","0.71073","MoKα","","0.0692","0.0632","","","0.1735","0.1777","","","","","","1.168","","","","has coordinates,has disorder","194793","2020-10-21","18:00:00",""
"4345212","13.2362","0.0009","16.2431","0.001","19.9654","0.0013","90","","96.265","0.001","90","","4266.9","0.5","150","2","150","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C82 H66 Cl0 Ga2 N10 O6 P2 -","- C82 H66 Ga2 N10 O6 P2 -","- C164 H132 Ga4 N20 O12 P4 -","2","0.5","","Enakieva, Yulia Yu; Volostnykh, Marina V.; Nefedov, Sergey E.; Kirakosyan, Gayane A.; Gorbunova, Yulia G.; Tsivadze, Aslan Yu; Bessmertnykh-Lemeune, Alla G; Stern, Christine; Guilard, Roger","Gallium(III) and Indium(III) Complexes with meso-Monophosphorylated Porphyrins: Synthesis and Structure. A First Example of Dimers Formed by the Self-Assembly of meso-Porphyrinylphosphonic Acid Monoester.","Inorganic chemistry","2017","56","5","3055","3070","10.1021/acs.inorgchem.6b03160","","","0.71073","MoKα","","0.0963","0.0513","","","0.1271","0.1466","","","","","","0.967","","","","has coordinates","194788","2020-10-21","18:00:00",""
"4345213","23.741","0.004","8.2881","0.0012","37.026","0.005","90","","93.187","0.004","90","","7274.3","1.9","150","2","150","2","","","","","","","","6","I 1 2/a 1","-I 2ya","15","","","","- C34 H24 Br Cl0 Ga N4 -","- C34 H24 Br Ga N4 -","- C272 H192 Br8 Ga8 N32 -","8","1","","Enakieva, Yulia Yu; Volostnykh, Marina V.; Nefedov, Sergey E.; Kirakosyan, Gayane A.; Gorbunova, Yulia G.; Tsivadze, Aslan Yu; Bessmertnykh-Lemeune, Alla G; Stern, Christine; Guilard, Roger","Gallium(III) and Indium(III) Complexes with meso-Monophosphorylated Porphyrins: Synthesis and Structure. A First Example of Dimers Formed by the Self-Assembly of meso-Porphyrinylphosphonic Acid Monoester.","Inorganic chemistry","2017","56","5","3055","3070","10.1021/acs.inorgchem.6b03160","","","0.71073","MoKα","","0.1471","0.0664","","","0.161","0.1922","","","","","","1.003","","","","has coordinates,has disorder","194788","2020-10-21","18:00:00",""
"4345214","12.605","0.002","12.605","0.002","13.626","0.003","90","","90","","90","","2165","0.7","296","2","296","2","","","","","","","","4","I 4/m","-I 4","87","","","","- C48 H72 O81 Zr12 -","- C48 H72 O81 Zr12 -","- C48 H72 O81 Zr12 -","1","0.0625","","Hennig, Christoph; Weiss, Stephan; Kraus, Werner; Kretzschmar, Jerome; Scheinost, Andreas C.","Solution Species and Crystal Structure of Zr(IV) Acetate","Inorganic Chemistry","2017","","","","","10.1021/acs.inorgchem.6b01624","","","0.71073","MoKα","","0.068","0.0677","","","0.1783","0.1784","","","","","","1.08","","","","has coordinates","192171","2020-10-21","18:00:00",""
"4345215","9.5206","0.0002","9.5206","0.0002","6.2002","0.0001","90","","90","","90","","561.997","0.019","293","","293","","","","","","","","","5","P -4 21 m","P -4 2ab","113","Sr2MnGe2S6O","","","- Ge2 Mn O S6 Sr2 -","- Ge2 Mn O S6 Sr2 -","- Ge4 Mn2 O2 S12 Sr4 -","2","0.25","","Endo, Takashi; Doi, Yoshihiro; Wakeshima, Makoto; Suzuki, Keita; Matsuo, Yasutaka; Tezuka, Keitaro; Ohtsuki, Takuya; Shan, Yue Jin; Hinatsu, Yukio","Magnetic Properties of the Melilite-Type Oxysulfide Sr2MnGe2S6O: Magnetic Interactions Enhanced by Anion Substitution.","Inorganic chemistry","2017","56","5","2459","2466","10.1021/acs.inorgchem.6b02505","powder diffraction","","1.54059","CuKα~1~","","0.03622","","","","","","0.03662","0.04127","2.0231","","","","","","","has coordinates","194800","2020-10-21","18:00:00",""
"4345216","9.4311","0.0002","9.4311","0.0002","6.1845","0.0001","90","","90","","90","","550.084","0.019","293","","293","","","","","","","","","5","P -4 21 m","P -4 2ab","113","Sr2ZnGe2S6O","","","- Ge2 O S6 Sr2 Zn -","- Ge2 O S6 Sr2 Zn -","- Ge4 O2 S12 Sr4 Zn2 -","2","0.25","","Endo, Takashi; Doi, Yoshihiro; Wakeshima, Makoto; Suzuki, Keita; Matsuo, Yasutaka; Tezuka, Keitaro; Ohtsuki, Takuya; Shan, Yue Jin; Hinatsu, Yukio","Magnetic Properties of the Melilite-Type Oxysulfide Sr2MnGe2S6O: Magnetic Interactions Enhanced by Anion Substitution.","Inorganic chemistry","2017","56","5","2459","2466","10.1021/acs.inorgchem.6b02505","powder diffraction","","1.54059","CuKα~1~","","0.00895","","","","","","0.00901","0.01534","1.8763","","","","","","","has coordinates","194800","2020-10-21","18:00:00",""
"4345217","28.7302","0.0019","12.9564","0.0008","27.502","0.003","90","","116.786","0.001","90","","9138.8","1.3","293","2","293","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C78 H110 Cl2 Mn6 N6 O38 -","- C78 H110 Cl2 Mn6 N6 O38 -","- C312 H440 Cl8 Mn24 N24 O152 -","4","0.5","","Chattopadhyay, Krishna; Craig, Gavin A.; Heras Ojea, María José; Pait, Moumita; Kundu, Animesh; Lee, Junseong; Murrie, Mark; Frontera, Antonio; Ray, Debashis","Dangling and Hydrolyzed Ligand Arms in [Mn3] and [Mn6] Coordination Assemblies: Synthesis, Characterization, and Functional Activity.","Inorganic chemistry","2017","56","5","2639","2652","10.1021/acs.inorgchem.6b02813","","","0.71073","MoKα","","0.1098","0.0886","","","0.2614","0.2903","","","","","","1.037","","","","has coordinates","194795","2020-10-21","18:00:00",""
"4345218","8.851","0.0004","10.3334","0.0005","19.2498","0.0009","81.205","0.004","77.339","0.002","74.885","0.003","1649.78","0.14","293","2","293","2","","","","","","","","6","P -1","-P 1","2","","","","- C48 H82 Cl2 Mn3 N4 O28 -","- C48 H78 Cl2 Mn3 N4 O28 -","- C48 H78 Cl2 Mn3 N4 O28 -","1","0.5","","Chattopadhyay, Krishna; Craig, Gavin A.; Heras Ojea, María José; Pait, Moumita; Kundu, Animesh; Lee, Junseong; Murrie, Mark; Frontera, Antonio; Ray, Debashis","Dangling and Hydrolyzed Ligand Arms in [Mn3] and [Mn6] Coordination Assemblies: Synthesis, Characterization, and Functional Activity.","Inorganic chemistry","2017","56","5","2639","2652","10.1021/acs.inorgchem.6b02813","","","0.71073","MoKα","","0.1302","0.0763","","","0.1222","0.1325","","","","","","1.799","","","","has coordinates","194795","2020-10-21","18:00:00",""
"4345219","7.8178","0.0007","9.587","0.0009","13.231","0.0013","77.492","0.006","86.775","0.005","83.487","0.005","961.36","0.16","299.82","","299.82","","","","","","","","","4","P -1","-P 1","2","","","","- C16 H12 O13 U2 -","- C16 H12 O13 U2 -","- C32 H24 O26 U4 -","2","1","","Martin, Nicolas P.; März, Juliane; Volkringer, Christophe; Henry, Natacha; Hennig, Christoph; Ikeda-Ohno, Atsushi; Loiseau, Thierry","Synthesis of Coordination Polymers of Tetravalent Actinides (Uranium and Neptunium) with a Phthalate or Mellitate Ligand in an Aqueous Medium.","Inorganic chemistry","2017","56","5","2902","2913","10.1021/acs.inorgchem.6b02962","","x-ray","0.71073","MoKα","","0.0395","0.0253","","","0.0481","0.0529","","","","","","1.026","","","","has coordinates","194784","2020-10-21","18:00:00",""
"4345220","13.973","0.005","20.115","0.007","17.252","0.006","90","","94.283","0.004","90","","4835","3","293","2","298.15","","","","","","","","","8","P 1 21/c 1","-P 2ybc","14","","","","- C60 H48 Cu6 Mo6 N12 O62 Si W12 -","- C60 H48 Cu6 Mo6 N12 O62 Si W12 -","- C120 H96 Cu12 Mo12 N24 O124 Si2 W24 -","2","0.5","","Li, Yun-Wu; Guo, Ling-Yu; Su, Hai-Feng; Jagodič, Marko; Luo, Ming; Zhou, Xiao-Qi; Zeng, Su-Yuan; Tung, Chen-Ho; Sun, Di; Zheng, Lan-Sun","Two Unprecedented POM-Based Inorganic-Organic Hybrids with Concomitant Heteropolytungstate and Molybdate.","Inorganic chemistry","2017","56","5","2481","2489","10.1021/acs.inorgchem.6b02601","","","0.71073","MoKα","","0.0742","0.0553","","","0.1616","0.1774","","","","","","1.023","","","","has coordinates","194797","2020-10-21","18:00:00",""
"4345221","13.355","0.0001","18.1021","0.0002","20.3541","0.0002","91.505","0.001","106.58","0.001","110.805","0.001","4363.62","0.08","298","2","298.15","","","","","","","","","8","P -1","-P 1","2","","","","- C48 H36 Cu6 Mo N18 O53 Si W12 -","- C48 H36 Cu6 Mo N18 O53 Si W12 -","- C96 H72 Cu12 Mo2 N36 O106 Si2 W24 -","2","1","","Li, Yun-Wu; Guo, Ling-Yu; Su, Hai-Feng; Jagodič, Marko; Luo, Ming; Zhou, Xiao-Qi; Zeng, Su-Yuan; Tung, Chen-Ho; Sun, Di; Zheng, Lan-Sun","Two Unprecedented POM-Based Inorganic-Organic Hybrids with Concomitant Heteropolytungstate and Molybdate.","Inorganic chemistry","2017","56","5","2481","2489","10.1021/acs.inorgchem.6b02601","","","0.71073","MoKα","","0.064","0.048","","","0.1059","0.1153","","","","","","1.04","","","","has coordinates","194797","2020-10-21","18:00:00",""
"4345222","12.73","0.02","13.22","0.02","13.85","0.02","66.182","0.013","83.004","0.015","65.199","0.013","1932","5","298","2","298.15","","","","","","","","","7","P -1","-P 1","2","","","","- C24 H32 Cu4 N16 O42 Si W12 -","- C24 H32 Cu4 N16 O42 Si W12 -","- C24 H32 Cu4 N16 O42 Si W12 -","1","0.5","","Li, Yun-Wu; Guo, Ling-Yu; Su, Hai-Feng; Jagodič, Marko; Luo, Ming; Zhou, Xiao-Qi; Zeng, Su-Yuan; Tung, Chen-Ho; Sun, Di; Zheng, Lan-Sun","Two Unprecedented POM-Based Inorganic-Organic Hybrids with Concomitant Heteropolytungstate and Molybdate.","Inorganic chemistry","2017","56","5","2481","2489","10.1021/acs.inorgchem.6b02601","","","0.71073","MoKα","","0.0868","0.0647","","","0.1857","0.2184","","","","","","1.099","","","","has coordinates","194797","2020-10-21","18:00:00",""
"4345223","32.024","0.007","13.347","0.003","24.53","0.005","90","","119.695","0.002","90","","9108","3","298","2","298.15","","","","","","","","","8","C 1 c 1","C -2yc","9","","","","- C60 H48 Co2 Mo N12 O48 Si W11 -","- C60 H48 Co2 Mo N12 O48 Si W11 -","- C240 H192 Co8 Mo4 N48 O192 Si4 W44 -","4","1","","Li, Yun-Wu; Guo, Ling-Yu; Su, Hai-Feng; Jagodič, Marko; Luo, Ming; Zhou, Xiao-Qi; Zeng, Su-Yuan; Tung, Chen-Ho; Sun, Di; Zheng, Lan-Sun","Two Unprecedented POM-Based Inorganic-Organic Hybrids with Concomitant Heteropolytungstate and Molybdate.","Inorganic chemistry","2017","56","5","2481","2489","10.1021/acs.inorgchem.6b02601","","","0.71073","MoKα","","0.0485","0.0364","","","0.0852","0.092","","","","","","1.024","","","","has coordinates","194797","2020-10-21","18:00:00",""
"4345224","17.1442","0.0008","18.398","0.0007","20.6284","0.001","90","","90","","90","","6506.6","0.5","298","2","298.15","","","","","","","","","7","P c a b","-P 2bc 2ac","61","","","","- C40 H32 Cu2 N8 O42 Si W12 -","- C40 H32 Cu2 N8 O42 Si W12 -","- C160 H128 Cu8 N32 O168 Si4 W48 -","4","0.5","","Li, Yun-Wu; Guo, Ling-Yu; Su, Hai-Feng; Jagodič, Marko; Luo, Ming; Zhou, Xiao-Qi; Zeng, Su-Yuan; Tung, Chen-Ho; Sun, Di; Zheng, Lan-Sun","Two Unprecedented POM-Based Inorganic-Organic Hybrids with Concomitant Heteropolytungstate and Molybdate.","Inorganic chemistry","2017","56","5","2481","2489","10.1021/acs.inorgchem.6b02601","","","0.71073","MoKα","","0.0986","0.0838","","","0.1799","0.1851","","","","","","1.394","","","","has coordinates","194797","2020-10-21","18:00:00",""
"4345225","10.714","0.002","12.719","0.002","27.457","0.005","90","","100.945","0.004","90","","3673.5","1.1","100","2","100","2","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C77 H67 N2 O12 P7 Ti -","- C77 H67 N2 O12 P7 Ti -","- C154 H134 N4 O24 P14 Ti2 -","2","1","","Stauber, Julia M.; Cummins, Christopher C.","Terminal Titanyl Complexes of Tri- and Tetrametaphosphate: Synthesis, Structures, and Reactivity with Hydrogen Peroxide.","Inorganic chemistry","2017","56","5","3022","3029","10.1021/acs.inorgchem.6b03149","","","0.71073","MoKα","","0.0494","0.0376","","","0.0845","0.0895","","","","","","1.035","","","","has coordinates","194790","2020-10-21","18:00:00",""
"4345226","37.8968","0.0003","37.8968","0.0003","37.8968","0.0003","90","","90","","90","","54426.2","0.7","180","","180","","","","","","","","","6","P a -3","-P 2ac 2ab 3","205","","","","- C194 H167 Cl10 Eu4 N27 O91 -","- C194 H167 Cl10 Eu4 N27 O91 -","- C1552 H1336 Cl80 Eu32 N216 O728 -","8","0.333333","","Vuillamy, Alexandra; Zebret, Soumaila; Besnard, Céline; Placide, Virginie; Petoud, Stéphane; Hamacek, Josef","Functionalized Triptycene-Derived Tripodal Ligands: Privileged Formation of Tetranuclear Cage Assemblies with Larger Ln(III)","Inorganic Chemistry","2017","","","","","10.1021/acs.inorgchem.6b02900","","","1.5418","CuKα","","0.1308","0.0909","","","0.2181","0.2487","","","","","","1.082","","","","has coordinates,has disorder","192245","2020-10-21","18:00:00",""
"4345227","9.658","0.005","10.142","0.005","10.323","0.005","87.185","0.009","88.472","0.01","63.822","0.008","906.3","0.8","150","2","150","2","","","","","","","","5","P -1","-P 1","2","","","","- C20 H14 N4 O5 Zn -","- C20 H14 N4 O5 Zn -","- C40 H28 N8 O10 Zn2 -","2","1","","Parmar, Bhavesh; Rachuri, Yadagiri; Bisht, Kamal Kumar; Laiya, Ridhdhi; Suresh, Eringathodi","Mechanochemical and Conventional Synthesis of Zn(II)/Cd(II) Luminescent Coordination Polymers: Dual Sensing Probe for Selective Detection of Chromate Anions and TNP in Aqueous Phase.","Inorganic chemistry","2017","56","5","2627","2638","10.1021/acs.inorgchem.6b02810","","","0.71073","MoKα","","0.0822","0.0614","","","0.1484","0.1672","","","","","","1.023","","","","has coordinates","194801","2020-10-21","18:00:00",""
"4345228","9.6389","0.0009","10.2279","0.0009","10.3697","0.001","87.55","0.001","64.519","0.001","87.329","0.002","921.57","0.15","150","2","150","2","","","","","","","","5","P -1","-P 1","2","","","","- C20 H14 Cd N4 O5 -","- C20 H14 Cd N4 O5 -","- C40 H28 Cd2 N8 O10 -","2","1","","Parmar, Bhavesh; Rachuri, Yadagiri; Bisht, Kamal Kumar; Laiya, Ridhdhi; Suresh, Eringathodi","Mechanochemical and Conventional Synthesis of Zn(II)/Cd(II) Luminescent Coordination Polymers: Dual Sensing Probe for Selective Detection of Chromate Anions and TNP in Aqueous Phase.","Inorganic chemistry","2017","56","5","2627","2638","10.1021/acs.inorgchem.6b02810","","","0.71073","MoKα","","0.0327","0.03","","","0.071","0.0722","","","","","","1.098","","","","has coordinates","194801","2020-10-21","18:00:00",""
"4345229","11.546","0.0006","12.3406","0.0005","14.1531","0.0007","84.045","0.004","80.164","0.004","77.19","0.004","1932.94","0.16","150","2","150","2","","","","","","","","5","P -1","-P 1","2","","","","- C36 H36 N4 O10 Ru2 -","- C36 H36 N4 O10 Ru2 -","- C72 H72 N8 O20 Ru4 -","2","1","","Singha Hazari, Arijit; Mandal, Abhishek; Beyer, Katharina; Paretzki, Alexa; Kaim, Wolfgang; Lahiri, Goutam Kumar","Metal-Metal Bridging Using the DPPP Dye System: Electronic Configurations within Multiple Redox Series.","Inorganic chemistry","2017","56","5","2992","3004","10.1021/acs.inorgchem.6b03112","","","0.71073","MoKα","","0.0954","0.0717","","","0.174","0.1881","","","","","","1.061","","","","has coordinates","194792","2020-10-21","18:00:00",""
"4345230","10.092","0.002","10.558","0.002","11.08","0.002","90.49","0.03","91.81","0.03","91.4","0.03","1179.6","0.4","100","2","100","2","","","","","","","","6","P -1","-P 1","2","","","","- C42 H52 Co2 N4 O20 Tb2 -","- C42 H52 Co2 N4 O20 Tb2 -","- C42 H52 Co2 N4 O20 Tb2 -","1","0.5","","Vignesh, Kuduva R.; Langley, Stuart K.; Murray, Keith S.; Rajaraman, Gopalan","Exploring the Influence of Diamagnetic Ions on the Mechanism of Magnetization Relaxation in {Co(III)2Ln(III)2} (Ln = Dy, Tb, Ho) ""Butterfly"" Complexes.","Inorganic chemistry","2017","56","5","2518","2532","10.1021/acs.inorgchem.6b02720","","","0.71079","synchrotron","","0.0302","0.0294","","","0.0712","0.0721","","","","","","1.102","","","","has coordinates","194789","2020-10-21","18:00:00",""
"4345231","12.3851","0.0002","13.2583","0.0004","12.4461","0.0003","90","","94.331","0.002","90","","2037.88","0.09","120","2","120","2","","","","","","","synthesis as described","6","P 1 21 1","P 2yb","4","","","","- C41 H63 Ge N2 P Te -","- C41 H63 Ge N2 P Te -","- C82 H126 Ge2 N4 P2 Te2 -","2","1","","Harris, Lisa M.; Tam, Eric C. Y.; Cummins, Struan J. W.; Coles, Martyn P.; Fulton, J. Robin","The Reactivity of Germanium Phosphanides with Chalcogens","Inorganic Chemistry","2017","","","","","10.1021/acs.inorgchem.6b03109","","","0.71073","MoKα","","0.0554","0.0436","","","0.0924","0.1053","","","","","","1.083","","","","has coordinates","192249","2020-10-21","18:00:00",""
"4345232","11.851","0.0004","12.6357","0.0005","14.2256","0.0005","98.703","0.002","94.437","0.002","113.262","0.002","1912.34","0.13","173","2","173","2","","","","","","","synthesis as described","6","P -1","-P 1","2","","","","- C41 H51 Ge N2 P Se -","- C41 H51 Ge N2 P Se -","- C82 H102 Ge2 N4 P2 Se2 -","2","1","","Harris, Lisa M.; Tam, Eric C. Y.; Cummins, Struan J. W.; Coles, Martyn P.; Fulton, J. Robin","The Reactivity of Germanium Phosphanides with Chalcogens","Inorganic Chemistry","2017","","","","","10.1021/acs.inorgchem.6b03109","","x-ray","0.7107","MoKα","","0.0524","0.0354","","","0.0812","0.0887","","","","","","0.973","","","","has coordinates","192249","2020-10-21","18:00:00",""
"4345233","17.5377","0.0004","10.1519","0.0001","26.9248","0.0006","90","","116.156","0.001","90","","4302.83","0.15","173","2","173","2","","","","","","","synthesis as described","7","P 1 21/c 1","-P 2ybc","14","","","","- C45 H71 Ge N2 O P S -","- C45 H71 Ge N2 O P S -","- C180 H284 Ge4 N8 O4 P4 S4 -","4","1","","Harris, Lisa M.; Tam, Eric C. Y.; Cummins, Struan J. W.; Coles, Martyn P.; Fulton, J. Robin","The Reactivity of Germanium Phosphanides with Chalcogens","Inorganic Chemistry","2017","","","","","10.1021/acs.inorgchem.6b03109","","x-ray","0.7107","MoKα","","0.0969","0.0538","","","0.0917","0.1031","","","","","","1.022","","","","has coordinates,has disorder","192249","2020-10-21","18:00:00",""
"4345234","13.5873","0.0002","18.7351","0.0004","17.6743","0.0003","90","","117.597","0.001","90","","3987.28","0.13","173","2","173","2","","","","","","","synthesis as described","7","P 1 21/c 1","-P 2ybc","14","","","","- C35 H59 Ge N2 P Se Si2 -","- C35 H59 Ge N2 P Se Si2 -","- C140 H236 Ge4 N8 P4 Se4 Si8 -","4","1","","Harris, Lisa M.; Tam, Eric C. Y.; Cummins, Struan J. W.; Coles, Martyn P.; Fulton, J. Robin","The Reactivity of Germanium Phosphanides with Chalcogens","Inorganic Chemistry","2017","","","","","10.1021/acs.inorgchem.6b03109","","x-ray","0.71073","MoKα","","0.0537","0.0335","","","0.0676","0.0744","","","","","","0.969","","","","has coordinates","192249","2020-10-21","18:00:00",""
"4345235","10.8309","0.0004","12.7855","0.0004","16.7183","0.0007","81.251","0.002","78.847","0.002","66.679","0.002","2078.49","0.14","173","2","173","2","","","","","","","synthesis as described","7","P -1","-P 1","2","","","","- C86 H112 Ge2 N4 O P2 Se4 -","- C86 H112 Ge2 N4 O P2 Se4 -","- C86 H112 Ge2 N4 O P2 Se4 -","1","0.5","","Harris, Lisa M.; Tam, Eric C. Y.; Cummins, Struan J. W.; Coles, Martyn P.; Fulton, J. Robin","The Reactivity of Germanium Phosphanides with Chalcogens","Inorganic Chemistry","2017","","","","","10.1021/acs.inorgchem.6b03109","","x-ray","0.71073","MoKα","","0.0788","0.0448","","","0.0763","0.0857","","","","","","0.993","","","","has coordinates,has disorder","192249","2020-10-21","18:00:00",""
"4345236","10.37898","0.00013","21.007","0.0003","22.1248","0.0004","90","","101.152","0.0013","90","","4732.81","0.13","120.01","0.1","120.01","0.1","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C48 H71 Ge N2 P S3 -","- C48 H71 Ge N2 P S3 -","- C192 H284 Ge4 N8 P4 S12 -","4","1","","Harris, Lisa M.; Tam, Eric C. Y.; Cummins, Struan J. W.; Coles, Martyn P.; Fulton, J. Robin","The Reactivity of Germanium Phosphanides with Chalcogens","Inorganic Chemistry","2017","","","","","10.1021/acs.inorgchem.6b03109","","x-ray","1.54184","CuKα","","0.0288","0.0282","","","0.0704","0.0708","","","","","","1.052","","","","has coordinates","192249","2020-10-21","18:00:00",""
"4345237","16.0808","0.0017","16.7417","0.0017","20.397","0.002","76.951","0.009","74.858","0.009","78.372","0.009","5104.1","0.9","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C88 H79 Cd3 N13 O18 -","- C84 H52 Cd3 N12 O8 -","- C168 H104 Cd6 N24 O16 -","2","1","","Jiang, Wei; Yang, Jin; Liu, Ying-Ying; Song, Shu-Yan; Ma, Jian-Fang","A Stable Porphyrin-Based Porous mog Metal-Organic Framework as an Efficient Solvent-Free Catalyst for C-C Bond Formation.","Inorganic chemistry","2017","56","5","3036","3043","10.1021/acs.inorgchem.6b03174","","","0.71073","MoKα","","0.201","0.1097","","","0.2011","0.2298","","","","","","1.159","","","","has coordinates","194802","2020-10-21","18:00:00",""
"4345238","26.6257","0.0004","26.6257","0.0004","20.2942","0.0006","90","","90","","90","","14387.1","0.5","293","2","293","2","","","","","","","","5","P -4 21 m","P -4 2ab","113","","","","- C37 H19 N6 O12 Zn3 -","- C37 H19 N6 O12 Zn3 -","- C296 H152 N48 O96 Zn24 -","8","1","","Jia, Xiao-Xia; Yao, Ru-Xin; Zhang, Fu-Qiang; Zhang, Xian-Ming","A Fluorescent Anionic MOF with Zn4(trz)2 Chain for Highly Selective Visual Sensing of Contaminants: Cr(III) Ion and TNP.","Inorganic chemistry","2017","56","5","2690","2696","10.1021/acs.inorgchem.6b02872","","x-ray","1.54184","CuKα","","0.0551","0.048","","","0.1312","0.1371","","","","","","1.019","","","","has coordinates","194786","2020-10-21","18:00:00",""
"4345239","13.9309","0.0003","14.1843","0.0004","16.8795","0.0005","101.436","0.002","94.095","0.002","118.079","0.003","2831.57","0.16","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","","","- C56 H82 Mn N6 O9 -","- C56 H82 Mn N6 O9 -","- C112 H164 Mn2 N12 O18 -","2","1","","Bubnov, Michael P.; Teplova, Irina A.; Kopylova, Eugenia A.; Kozhanov, Konstantin A.; Bogomyakov, Artem S.; Petrova, Marina V.; Morozov, Vitaly A.; Ovcharenko, Victor I.; Cherkasov, Vladimir K.","Ferromagnetic Coupling in the Heterospin Bis-Catecholato‒Manganese(IV) Complex with Pyridine Substituted by Nitronyl-nitroxide","Inorganic Chemistry","2017","","","","","10.1021/acs.inorgchem.6b02411","","","0.71073","MoKα","","0.0785","0.0558","","","0.1016","0.1094","","","","","","1.059","","","","has coordinates","192252","2020-10-21","18:00:00",""
"4345240","10.5717","0.0006","11.7075","0.0007","14.1419","0.0008","74.819","0.002","81.563","0.002","75.111","0.002","1626.59","0.16","100","2","100","2","","","","","","","","6","P -1","-P 1","2","","","","- C26 H21 Co F12 N13 P2 -","- C26 H21 Co F12 N13 P2 -","- C52 H42 Co2 F24 N26 P4 -","2","1","","Chen, Kitty Y.; Du, Chuan; Patrick, Brian O.; Berlinguette, Curtis P.","High-Voltage Dye-Sensitized Solar Cells Mediated by [Co(2,2′-bipyrimidine)3]z","Inorganic Chemistry","2017","","","","","10.1021/acs.inorgchem.7b00082","","x-ray","0.71073","MoKα","","0.0594","0.0459","","","0.1187","0.1255","","","","","","1.048","","","","has coordinates,has disorder","192370","2020-10-21","18:00:00",""
"4345241","17.3699","0.001","17.3699","0.001","19.8944","0.0012","90","","90","","90","","6002.4","0.6","293","2","293","2","","","","","","","","5","I -4 m 2","I -4 -2","119","","","","- C48 H32 Co8 N8 O25 -","- C48 H32 Co8 N8 O25 -","- C96 H64 Co16 N16 O50 -","2","0.125","","Chen, Di-Ming; Zhang, Nan-Nan; Liu, Chun-Sen; Jiang, Zhi-Hao; Wang, Xing-Dong; Du, Miao","A Mixed-Cluster Approach for Building a Highly Porous Cobalt(II) Isonicotinic Acid Framework: Gas Sorption Properties and Computational Analyses","Inorganic Chemistry","2017","","","","","10.1021/acs.inorgchem.6b03170","","x-ray","0.71073","MoKα","","0.086","0.0675","","","0.17","0.1823","","","","","","0.997","","","","has coordinates,has disorder","192371","2020-10-21","18:00:00",""
"4345242","15.1399","0.0015","16.345","0.002","23.168","0.003","90","","90","","90","","5733.2","1.2","100","2","100","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C58 H87 Cl N4 P2 Pt -","- C58 H87 Cl N4 P2 Pt -","- C232 H348 Cl4 N16 P8 Pt4 -","4","1","","Nickolaus, Jan; Imbrich, Dominik A.; Schlindwein, Simon H.; Geyer, Adrian H.; Nieger, Martin; Gudat, Dietrich","Phosphenium Hydride Reduction of [(cod)MX2] (M = Pd, Pt; X = Cl, Br): Snapshots on the Way to Phosphenium Metal(0) Halides and Synthesis of Metal Nanoparticles.","Inorganic chemistry","2017","56","5","3071","3080","10.1021/acs.inorgchem.7b00022","","","0.71073","MoKα","","0.1028","0.0528","","","0.0869","0.102","","","","","","1.009","","","","has coordinates","194798","2020-10-21","18:00:00",""
"4345243","11.2931","0.001","12.9574","0.0011","23.1231","0.0014","90","","99.713","0.003","90","","3335.1","0.5","150","2","150","2","","","","","","","","7","P 1 2/c 1","-P 2yc","13","","","","- C62 H76 Br3 Cl4 N6 P3 Pt3 -","- C62 H76 Br3 Cl4 N6 P3 Pt3 -","- C124 H152 Br6 Cl8 N12 P6 Pt6 -","2","0.5","","Nickolaus, Jan; Imbrich, Dominik A.; Schlindwein, Simon H.; Geyer, Adrian H.; Nieger, Martin; Gudat, Dietrich","Phosphenium Hydride Reduction of [(cod)MX2] (M = Pd, Pt; X = Cl, Br): Snapshots on the Way to Phosphenium Metal(0) Halides and Synthesis of Metal Nanoparticles.","Inorganic chemistry","2017","56","5","3071","3080","10.1021/acs.inorgchem.7b00022","","","0.71073","MoKα","","0.0791","0.0417","","","0.0615","0.0697","","","","","","0.994","","","","has coordinates,has disorder","194798","2020-10-21","18:00:00",""
"4345244","8.2216","0.0005","8.2816","0.0006","8.6557","0.0005","109.175","0.005","106.609","0.005","92.519","0.005","527.21","0.06","180","2","180","2","","","","","","","","5","P -1","-P 1","2","","","","- C10 H8 Cl2 Co N2 -","- C10 H8 Cl2 Co N2 -","- C20 H16 Cl4 Co2 N4 -","2","1","","Liu, Jia-Jia; Jiang, Shang-Da; Neugebauer, Petr; van Slageren, Joris; Lan, Yanhua; Wernsdorfer, Wolfgang; Wang, Bing-Wu; Gao, Song","Magnetic and HFEPR Studies of Exchange Coupling in a Series of μ-Cl Dicobalt Complexes.","Inorganic chemistry","2017","56","5","2417","2425","10.1021/acs.inorgchem.6b02368","","","0.71073","MoKα","","0.0303","0.0241","","","0.0514","0.0544","","","","","","1.08","","","","has coordinates","194785","2020-10-21","18:00:00",""
"4345245","6.6738","0.0004","14.0156","0.0009","19.3333","0.0012","90","","94.885","0.001","90","","1801.82","0.19","273","2","273","2","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C16 H8 F3 N2 O6 Re S -","- C16 H8 F3 N2 O6 Re S -","- C64 H32 F12 N8 O24 Re4 S4 -","4","1","","Chakraborty, Indranil; Jimenez, Jorge; Sameera, W. M. C.; Kato, Masako; Mascharak, Pradip K.","Luminescent Re(I) Carbonyl Complexes as Trackable PhotoCORMs for CO delivery to Cellular Targets","Inorganic Chemistry","2017","","","","","10.1021/acs.inorgchem.6b02999","","","0.71073","MoKα","","0.0292","0.0239","","","0.0576","0.0593","","","","","","1.044","","","","has coordinates","192459","2020-10-21","18:00:00",""
"4345246","20.2923","0.0014","17.2933","0.0012","14.6464","0.001","90","","107.58","0.001","90","","4899.7","0.6","273","2","273","2","","","","","","","","7","C 1 2/c 1","-C 2yc","15","","","","- C18 H11 F3 N3 O7 Re S -","- C18 H11 F3 N3 O7 Re S -","- C144 H88 F24 N24 O56 Re8 S8 -","8","1","","Chakraborty, Indranil; Jimenez, Jorge; Sameera, W. M. C.; Kato, Masako; Mascharak, Pradip K.","Luminescent Re(I) Carbonyl Complexes as Trackable PhotoCORMs for CO delivery to Cellular Targets","Inorganic Chemistry","2017","","","","","10.1021/acs.inorgchem.6b02999","","","0.71073","MoKα","","0.0647","0.0506","","","0.1485","0.1576","","","","","","1.072","","","","has coordinates","192459","2020-10-21","18:00:00",""
"4345247","14.8378","0.0005","15.0784","0.0006","16.9677","0.0006","90","","111.02","","90","","3543.6","0.2","273","2","273","2","","","","","","","","9","P 1 21/c 1","-P 2ybc","14","","","","- C35 H25 Cl2 F3 N2 O6 P Re S -","- C35 H25 Cl2 F3 N2 O6 P Re S -","- C140 H100 Cl8 F12 N8 O24 P4 Re4 S4 -","4","1","","Chakraborty, Indranil; Jimenez, Jorge; Sameera, W. M. C.; Kato, Masako; Mascharak, Pradip K.","Luminescent Re(I) Carbonyl Complexes as Trackable PhotoCORMs for CO delivery to Cellular Targets","Inorganic Chemistry","2017","","","","","10.1021/acs.inorgchem.6b02999","","","0.71073","MoKα","","0.039","0.0326","","","0.0846","0.0878","","","","","","1.03","","","","has coordinates","192459","2020-10-21","18:00:00",""
"4345248","10.6208","0.0019","13.166","0.003","16.427","0.002","75.616","0.013","86.112","0.013","89.034","0.014","2219.9","0.7","273","2","273","2","","","","","","","","7","P -1","-P 1","2","","","","- C20 H14 F3 N4 O6 Re S -","- C20 H14 F3 N4 O6 Re S -","- C80 H56 F12 N16 O24 Re4 S4 -","4","2","","Chakraborty, Indranil; Jimenez, Jorge; Sameera, W. M. C.; Kato, Masako; Mascharak, Pradip K.","Luminescent Re(I) Carbonyl Complexes as Trackable PhotoCORMs for CO delivery to Cellular Targets","Inorganic Chemistry","2017","","","","","10.1021/acs.inorgchem.6b02999","","","0.71073","MoKα","","0.0318","0.024","","","0.0759","0.0878","","","","","","0.66","","","","has coordinates","251896","2020-10-21","18:00:00",""
"4345249","15.8984","0.0013","11.88","0.001","7.9938","0.0007","90","","107.177","0.001","90","","1442.5","0.2","273","2","273","2","","","","","","","","6","C 1 2/m 1","-C 2y","12","","","","- C7.5 H4 Cl0.5 N O1.5 Re0.5 -","- C7.5 H4 Cl0.5 N O1.5 Re0.5 -","- C60 H32 Cl4 N8 O12 Re4 -","8","1","","Chakraborty, Indranil; Jimenez, Jorge; Sameera, W. M. C.; Kato, Masako; Mascharak, Pradip K.","Luminescent Re(I) Carbonyl Complexes as Trackable PhotoCORMs for CO delivery to Cellular Targets","Inorganic Chemistry","2017","","","","","10.1021/acs.inorgchem.6b02999","","","0.71073","MoKα","","0.0248","0.0216","","","0.0459","0.0469","","","","","","0.933","","","","has coordinates","192459","2020-10-21","18:00:00",""
"4345250","17.164","","18.512","","24.463","","90","","120.35","","90","","6707.64","","293","2","293","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C51 H31 N3 O10 S2 Zn2 -","- C51 H31 N3 O10 S2 Zn2 -","- C204 H124 N12 O40 S8 Zn8 -","4","1","","Han, Li-Juan; Yan, Wei; Chen, Shu-Guang; Shi, Zhen-Zhen; Zheng, He-Gen","Exploring the Detection of Metal Ions by Tailoring the Coordination Mode of V-Shaped Thienylpyridyl Ligand in Three MOFs.","Inorganic chemistry","2017","56","5","2936","2940","10.1021/acs.inorgchem.6b03075","","","0.71","MoKα","","0.0758","0.0513","","","0.1358","0.1443","","","","","","1.001","","","","has coordinates","194781","2020-10-21","18:00:00",""
"4345251","9.7139","0.0018","12.971","0.002","14.486","0.003","80.717","0.003","71.753","0.003","69.052","0.003","1616.4","0.5","293","2","293","2","","","","","","","","6","P -1","-P 1","2","","","","- C74 H52 N6 Ni O12 S4 -","- C74 H52 N6 Ni O12 S4 -","- C74 H52 N6 Ni O12 S4 -","1","0.5","","Han, Li-Juan; Yan, Wei; Chen, Shu-Guang; Shi, Zhen-Zhen; Zheng, He-Gen","Exploring the Detection of Metal Ions by Tailoring the Coordination Mode of V-Shaped Thienylpyridyl Ligand in Three MOFs.","Inorganic chemistry","2017","56","5","2936","2940","10.1021/acs.inorgchem.6b03075","","","0.71","MoKα","","0.0602","0.0412","","","0.1081","0.1192","","","","","","1.027","","","","has coordinates","194781","2020-10-21","18:00:00",""
"4345252","8.618","","14.553","","20.335","","87.44","","82.87","","74.92","","2443.3","","293","2","293","2","","","","","","","","6","P -1","-P 1","2","","","","- C51 H31 Cd2 N3 O11 S2 -","- C51 H31 Cd2 N3 O11 S2 -","- C102 H62 Cd4 N6 O22 S4 -","2","1","","Han, Li-Juan; Yan, Wei; Chen, Shu-Guang; Shi, Zhen-Zhen; Zheng, He-Gen","Exploring the Detection of Metal Ions by Tailoring the Coordination Mode of V-Shaped Thienylpyridyl Ligand in Three MOFs.","Inorganic chemistry","2017","56","5","2936","2940","10.1021/acs.inorgchem.6b03075","","","0.7107","MoKα","","0.0859","0.0581","","","0.1365","0.1467","","","","","","1.003","","","","has coordinates","194781","2020-10-21","18:00:00",""
"4345253","17.378","","13.673","","24.615","","90","","90","","90","","5848.75","","100","2","100","2","","","","","","","","5","P c a 21","P 2c -2ac","29","(Ph4P)2[Cp(SPh)4]","","","- C72 H60 Co P2 S4 -","- C72 H60 Co P2 S4 -","- C288 H240 Co4 P8 S16 -","4","1","","Suturina, Elizaveta A.; Nehrkorn, Joscha; Zadrozny, Joseph M.; Liu, Junjie; Atanasov, Mihail; Weyhermüller, Thomas; Maganas, Dimitrios; Hill, Stephen; Schnegg, Alexander; Bill, Eckhard; Long, Jeffrey R.; Neese, Frank","Magneto-Structural Correlations in Pseudotetrahedral Forms of the [Co(SPh)4](2-) Complex Probed by Magnetometry, MCD Spectroscopy, Advanced EPR Techniques, and ab Initio Electronic Structure Calculations.","Inorganic chemistry","2017","56","5","3102","3118","10.1021/acs.inorgchem.7b00097","","","0.71073","MoKα","","0.0583","0.0546","","","0.1435","0.1472","","","","","","1.033","","","","has coordinates","194791","2020-10-21","18:00:00",""
"4345254","15.2694","0.0011","4.06","0.0002","11.9108","0.0009","90","","90","","90","","738.4","0.09","297","2","297","2","","","","","","","","3","P n m a","-P 2ac 2n","62","","","","- D1.2 Ge Sr -","- D1.19733 Ge Sr -","- D14.368 Ge12 Sr12 -","12","1.5","","Auer, Henry; Guehne, Robin; Bertmer, Marco; Weber, Sebastian; Wenderoth, Patrick; Hansen, Thomas; Hase, Jürgen; Holger Kohlmann","Hydrides of Alkaline-earth-Tetrel (AeTt) Zintl phases PART I: Covalent Tt-H Bonds from Silicon to Tin","Inorganic Chemistry","2017","56","3","1061","1071","","powder diffraction","","1.86727","neutron","","","","","","","","","4.4566","4.63","","","","","","","has coordinates","192481","2020-10-21","18:00:00",""
"4345255","16.3097","0.001","4.5554","0.0002","12.9169","0.0007","90","","90","","90","","959.69","0.09","297","2","297","2","","","","","","","","3","P n m a","-P 2ac 2n","62","","","","- Ba D1.28 Sn -","- Ba D1.278 Sn -","- Ba12 D15.336 Sn12 -","12","1.5","","Auer, Henry; Guehne, Robin; Bertmer, Marco; Weber, Sebastian; Wenderoth, Patrick; Hansen, Thomas; Hase, Jürgen; Holger Kohlmann","Hydrides of Alkaline-earth-Tetrel (AeTt) Zintl phases PART I: Covalent Tt-H Bonds from Silicon to Tin","Inorganic Chemistry","2017","56","3","1061","1071","","powder diffraction","","1.86728","neutron","","","","","","","","","5.6306","2.06","","","","","","","has coordinates","192482","2020-10-21","18:00:00",""
"4345256","4.7659","0.0005","11.8281","0.0014","4.1542","0.0005","90","","90","","90","","234.18","0.05","618","","618","","5000","","","","","","","3","C m c m","-C 2c 2","63","","","","- D0.2 Ge Sr -","- D0.204 Ge Sr -","- D0.816 Ge4 Sr4 -","4","0.25","","Auer, Henry; Wallacher, Dirk; Hansen, Thomas Christian; Holger Kohlmann","In Situ Hydrogenation of the Zintl Phase SrGe","Inorganic Chemistry","2017","56","3","1072","1079","","powder diffraction","","1.86727","neutron","","","","","","","","","3.822","2.45","","","","","","","has coordinates","192483","2020-10-21","18:00:00",""
"4345257","29.973","0.003","13.8907","0.0012","25.378","0.002","90","","121.101","0.0009","90","","9047.3","1.4","133","2","133","2","","","","","","","","8","C 1 2/c 1","-C 2yc","15","","","","- C24 H24 Co F6 N2 O12 S2 Sr -","- C24 H24 Co F6 N2 O12 S2 Sr -","- C288 H288 Co12 F72 N24 O144 S24 Sr12 -","12","1.5","","Reath, Alexander H.; Ziller, Joseph W.; Tsay, Charlene; Ryan, Austin J.; Yang, Jenny Y.","Redox Potential and Electronic Structure Effects of Proximal Nonredox Active Cations in Cobalt Schiff Base Complexes.","Inorganic chemistry","2017","56","6","3713","3718","10.1021/acs.inorgchem.6b03098","","","0.71073","MoKα","","0.0645","0.0555","","","0.1462","0.153","","","","","","1.034","","","","has coordinates,has disorder","194806","2020-10-21","18:00:00",""
"4345258","13.1393","0.001","6.9857","0.0005","25.0071","0.0019","90","","90.7684","0.001","90","","2295.1","0.3","133","2","133","2","","","","","","","","8","P 1 21/c 1","-P 2ybc","14","","","","- C22 H24 B Co F4 N2 Na O6 -","- C22 H24 B Co F4 N2 Na O6 -","- C88 H96 B4 Co4 F16 N8 Na4 O24 -","4","1","","Reath, Alexander H.; Ziller, Joseph W.; Tsay, Charlene; Ryan, Austin J.; Yang, Jenny Y.","Redox Potential and Electronic Structure Effects of Proximal Nonredox Active Cations in Cobalt Schiff Base Complexes.","Inorganic chemistry","2017","56","6","3713","3718","10.1021/acs.inorgchem.6b03098","","","0.71073","MoKα","","0.0316","0.029","","","0.07","0.0716","","","","","","1.04","","","","has coordinates,has disorder","194806","2020-10-21","18:00:00",""
"4345259","10.0653","0.0004","12.0283","0.0005","14.3224","0.0006","80.3333","0.0004","74.6798","0.0004","79.5153","0.0004","1631.27","0.12","88","2","88","2","","","","","","","","8","P -1","-P 1","2","","","","- C50 H56 Ba2 Co2 F12 N4 O26 S4 -","- C50 H56 Ba2 Co2 F12 N4 O26 S4 -","- C50 H56 Ba2 Co2 F12 N4 O26 S4 -","1","0.5","","Reath, Alexander H.; Ziller, Joseph W.; Tsay, Charlene; Ryan, Austin J.; Yang, Jenny Y.","Redox Potential and Electronic Structure Effects of Proximal Nonredox Active Cations in Cobalt Schiff Base Complexes.","Inorganic chemistry","2017","56","6","3713","3718","10.1021/acs.inorgchem.6b03098","","","0.71073","MoKα","","0.0193","0.0181","","","0.045","0.0457","","","","","","1.051","","","","has coordinates","194806","2020-10-21","18:00:00",""
"4345260","26.2509","0.0011","11.7782","0.0005","46.5792","0.0019","90","","90","","90","","14401.7","1","88","2","88","2","","","","","","","","8","P b c a","-P 2ac 2ab","61","","","","- C22 H24 B Co F4 K N2 O6 -","- C22 H24 B Co F4 K N2 O6 -","- C528 H576 B24 Co24 F96 K24 N48 O144 -","24","3","","Reath, Alexander H.; Ziller, Joseph W.; Tsay, Charlene; Ryan, Austin J.; Yang, Jenny Y.","Redox Potential and Electronic Structure Effects of Proximal Nonredox Active Cations in Cobalt Schiff Base Complexes.","Inorganic chemistry","2017","56","6","3713","3718","10.1021/acs.inorgchem.6b03098","","","0.71073","MoKα","","0.0483","0.0316","","","0.0682","0.0762","","","","","","1.031","","","","has coordinates,has disorder","194806","2020-10-21","18:00:00",""
"4345261","13.1054","0.0008","12.0239","0.0007","16.6683","0.001","90","","98.8247","0.0007","90","","2595.5","0.3","133","2","133","2","","","","","","","","8","P 1 21/c 1","-P 2ybc","14","","","","- C23 H24 Co F3 N2 Na O9 S -","- C23 H24 Co F3 N2 Na O9 S -","- C92 H96 Co4 F12 N8 Na4 O36 S4 -","4","1","","Reath, Alexander H.; Ziller, Joseph W.; Tsay, Charlene; Ryan, Austin J.; Yang, Jenny Y.","Redox Potential and Electronic Structure Effects of Proximal Nonredox Active Cations in Cobalt Schiff Base Complexes.","Inorganic chemistry","2017","56","6","3713","3718","10.1021/acs.inorgchem.6b03098","","","0.71073","MoKα","","0.0407","0.0354","","","0.0822","0.0845","","","","","","1.064","","","","has coordinates,has disorder","194806","2020-10-21","18:00:00",""
"4345262","13.2502","0.0014","11.9357","0.0013","16.996","0.0018","90","","100.435","0.0013","90","","2643.5","0.5","88","2","88","2","","","","","","","","8","P 1 21/c 1","-P 2ybc","14","","","","- C23 H24 Co F3 K N2 O9 S -","- C23 H24 Co F3 K N2 O9 S -","- C92 H96 Co4 F12 K4 N8 O36 S4 -","4","1","","Reath, Alexander H.; Ziller, Joseph W.; Tsay, Charlene; Ryan, Austin J.; Yang, Jenny Y.","Redox Potential and Electronic Structure Effects of Proximal Nonredox Active Cations in Cobalt Schiff Base Complexes.","Inorganic chemistry","2017","56","6","3713","3718","10.1021/acs.inorgchem.6b03098","","","0.71073","MoKα","","0.0964","0.0901","","","0.2317","0.2362","","","","","","1.026","","","","has coordinates,has disorder","194806","2020-10-21","18:00:00",""
"4345263","6.8437","0.001","12.1711","0.0018","24.299","0.004","78.1968","0.0018","88.5136","0.0018","88.5502","0.0018","1980.1","0.5","88","2","88","2","","","","","","","","5","P -1","-P 1","2","","","","- C21 H25 Co N3 O5 -","- C21 H25 Co N3 O5 -","- C84 H100 Co4 N12 O20 -","4","2","","Reath, Alexander H.; Ziller, Joseph W.; Tsay, Charlene; Ryan, Austin J.; Yang, Jenny Y.","Redox Potential and Electronic Structure Effects of Proximal Nonredox Active Cations in Cobalt Schiff Base Complexes.","Inorganic chemistry","2017","56","6","3713","3718","10.1021/acs.inorgchem.6b03098","","","0.71073","MoKα","","0.0583","0.0471","","","0.1265","0.1366","","","","","","1.04","","","","has coordinates","194806","2020-10-21","18:00:00",""
"4345264","9.5174","0.0012","11.7536","0.0015","15.397","0.002","102.059","0.0015","97.3169","0.0015","112.308","0.0014","1517.1","0.3","88","2","88","2","","","","","","","","8","P -1","-P 1","2","","","","- C24 H24 Ca Co F6 N2 O12 S2 -","- C24 H24 Ca Co F6 N2 O12 S2 -","- C48 H48 Ca2 Co2 F12 N4 O24 S4 -","2","1","","Reath, Alexander H.; Ziller, Joseph W.; Tsay, Charlene; Ryan, Austin J.; Yang, Jenny Y.","Redox Potential and Electronic Structure Effects of Proximal Nonredox Active Cations in Cobalt Schiff Base Complexes.","Inorganic chemistry","2017","56","6","3713","3718","10.1021/acs.inorgchem.6b03098","","","0.71073","MoKα","","0.027","0.0246","","","0.0659","0.0674","","","","","","1.023","","","","has coordinates","194806","2020-10-21","18:00:00",""
"4345265","8.2808","0.0005","11.7183","0.0007","9.0833","0.0005","90","","96.612","0.003","90","","875.55","0.09","223","2","223","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- Cl4 H26 N8 O3 Ru2 -","- Cl4 H26 N8 O3 Ru2 -","- Cl8 H52 N16 O6 Ru4 -","2","0.5","","Nathan, Sarah R.; Pino, Nicholas W.; Arduino, Daniela M.; Perocchi, Fabiana; MacMillan, Samantha N.; Wilson, Justin J.","Synthetic Methods for the Preparation of a Functional Analogue of Ru360, a Potent Inhibitor of Mitochondrial Calcium Uptake.","Inorganic chemistry","2017","56","6","3123","3126","10.1021/acs.inorgchem.6b03108","","","0.71073","MoKα","","0.0298","0.0265","","","0.0638","0.0655","","","","","","1.091","","","","has coordinates","194809","2020-10-21","18:00:00",""
"4345266","13.3791","0.0012","10.5086","0.0008","6.7456","0.0006","90","","90","","90","","948.4","0.14","273","2","273","2","","","","","","","","4","P n m a","-P 2ac 2n","62","","","","- Cl3 H15 N5 Ru -","- Cl3 H15 N5 Ru -","- Cl12 H60 N20 Ru4 -","4","0.5","","Nathan, Sarah R.; Pino, Nicholas W.; Arduino, Daniela M.; Perocchi, Fabiana; MacMillan, Samantha N.; Wilson, Justin J.","Synthetic Methods for the Preparation of a Functional Analogue of Ru360, a Potent Inhibitor of Mitochondrial Calcium Uptake.","Inorganic chemistry","2017","56","6","3123","3126","10.1021/acs.inorgchem.6b03108","","","0.71073","MoKα","","0.0271","0.0241","","","0.0595","0.0608","","","","","","1.099","","","","has coordinates","194809","2020-10-21","18:00:00",""
"4345267","7.0951","0.0013","7.0951","0.0013","17.034","0.004","90","","90","","90","","857.5","0.3","223","2","223","2","","","","","","","","4","I 4/m m m","-I 4 2","139","","","","- Cl10 K4 O Ru2 -","- Cl10 K4 O Ru2 -","- Cl20 K8 O2 Ru4 -","2","0.0625","","Nathan, Sarah R.; Pino, Nicholas W.; Arduino, Daniela M.; Perocchi, Fabiana; MacMillan, Samantha N.; Wilson, Justin J.","Synthetic Methods for the Preparation of a Functional Analogue of Ru360, a Potent Inhibitor of Mitochondrial Calcium Uptake.","Inorganic chemistry","2017","56","6","3123","3126","10.1021/acs.inorgchem.6b03108","","","0.71073","MoKα","","0.0269","0.0228","","","0.0527","0.0547","","","","","","1.124","","","","has coordinates","194809","2020-10-21","18:00:00",""
"4345268","12.0457","0.0002","17.587","0.0003","12.5763","0.0002","90","","103.386","0.002","90","","2591.88","0.08","120","2","120","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","[Tris-(4-{thiazol-4-yl}-3-aza-3-butenyl)amine]iron(II) di-tetrafluoroborate","","- C18 H21 B2 F8 Fe N7 S3 -","- C18 H21 B2 F8 Fe N7 S3 -","- C72 H84 B8 F32 Fe4 N28 S12 -","4","1","","Kulmaczewski, Rafal; Cespedes, Oscar; Halcrow, Malcolm A.","Gradual Thermal Spin-Crossover Mediated by a Reentrant Z' = 1 →Z' = 6 →Z' = 1 Phase Transition.","Inorganic chemistry","2017","56","6","3144","3148","10.1021/acs.inorgchem.7b00071","","","1.54184","CuKα","","0.0591","0.0558","","","0.1435","0.1464","","","","","","1.029","","","","has coordinates,has disorder","194812","2020-10-21","18:00:00",""
"4345269","12.0574","0.0003","17.6366","0.0005","12.5618","0.0003","90","","103.267","0.002","90","","2599.99","0.12","150","2","150","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","[Tris-(4-{thiazol-4-yl}-3-aza-3-butenyl)amine]iron(II) di-tetrafluoroborate","","- C18 H21 B2 F8 Fe N7 S3 -","- C18 H21 B2 F8 Fe N7 S3 -","- C72 H84 B8 F32 Fe4 N28 S12 -","4","1","","Kulmaczewski, Rafal; Cespedes, Oscar; Halcrow, Malcolm A.","Gradual Thermal Spin-Crossover Mediated by a Reentrant Z' = 1 →Z' = 6 →Z' = 1 Phase Transition.","Inorganic chemistry","2017","56","6","3144","3148","10.1021/acs.inorgchem.7b00071","","","1.54184","CuKα","","0.0638","0.0585","","","0.1459","0.1502","","","","","","1.054","","","","has coordinates,has disorder","194812","2020-10-21","18:00:00",""
"4345270","12.0973","0.0003","17.7784","0.0005","12.5249","0.0003","90","","102.9","0.002","90","","2625.75","0.12","175","2","175","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","[Tris-(4-{thiazol-4-yl}-3-aza-3-butenyl)amine]iron(II) di-tetrafluoroborate","","- C18 H21 B2 F8 Fe N7 S3 -","- C18 H21 B2 F8 Fe N7 S3 -","- C72 H84 B8 F32 Fe4 N28 S12 -","4","1","","Kulmaczewski, Rafal; Cespedes, Oscar; Halcrow, Malcolm A.","Gradual Thermal Spin-Crossover Mediated by a Reentrant Z' = 1 →Z' = 6 →Z' = 1 Phase Transition.","Inorganic chemistry","2017","56","6","3144","3148","10.1021/acs.inorgchem.7b00071","","","1.54184","CuKα","","0.0818","0.0747","","","0.1851","0.1911","","","","","","1.03","","","","has coordinates,has disorder","194812","2020-10-21","18:00:00",""
"4345271","12.1712","0.0004","17.7929","0.0006","12.547","0.0004","90","","102.49","0.003","90","","2652.88","0.15","200","2","200","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","[Tris-(4-{thiazol-4-yl}-3-aza-3-butenyl)amine]iron(II) di-tetrafluoroborate","","- C18 H21 B2 F8 Fe N7 S3 -","- C18 H21 B2 F8 Fe N7 S3 -","- C72 H84 B8 F32 Fe4 N28 S12 -","4","1","","Kulmaczewski, Rafal; Cespedes, Oscar; Halcrow, Malcolm A.","Gradual Thermal Spin-Crossover Mediated by a Reentrant Z' = 1 →Z' = 6 →Z' = 1 Phase Transition.","Inorganic chemistry","2017","56","6","3144","3148","10.1021/acs.inorgchem.7b00071","","","1.54184","CuKα","","0.0844","0.0744","","","0.1908","0.2006","","","","","","1.038","","","","has coordinates,has disorder","194812","2020-10-21","18:00:00",""
"4345272","12.2809","0.0005","17.7788","0.0008","12.5759","0.0006","90","","102.272","0.004","90","","2683.1","0.2","225","2","225","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","[Tris-(4-{thiazol-4-yl}-3-aza-3-butenyl)amine]iron(II) di-tetrafluoroborate","","- C18 H21 B2 F8 Fe N7 S3 -","- C18 H21 B2 F8 Fe N7 S3 -","- C72 H84 B8 F32 Fe4 N28 S12 -","4","1","","Kulmaczewski, Rafal; Cespedes, Oscar; Halcrow, Malcolm A.","Gradual Thermal Spin-Crossover Mediated by a Reentrant Z' = 1 →Z' = 6 →Z' = 1 Phase Transition.","Inorganic chemistry","2017","56","6","3144","3148","10.1021/acs.inorgchem.7b00071","","","1.54184","CuKα","","0.0724","0.0638","","","0.1726","0.1815","","","","","","1.075","","","","has coordinates,has disorder","194812","2020-10-21","18:00:00",""
"4345273","12.3334","0.0002","17.8026","0.0002","12.5953","0.0002","90","","102.289","0.001","90","","2702.14","0.07","250","2","250","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","[Tris-(4-{thiazol-4-yl}-3-aza-3-butenyl)amine]iron(II) di-tetrafluoroborate","","- C18 H21 B2 F8 Fe N7 S3 -","- C18 H21 B2 F8 Fe N7 S3 -","- C72 H84 B8 F32 Fe4 N28 S12 -","4","1","","Kulmaczewski, Rafal; Cespedes, Oscar; Halcrow, Malcolm A.","Gradual Thermal Spin-Crossover Mediated by a Reentrant Z' = 1 →Z' = 6 →Z' = 1 Phase Transition.","Inorganic chemistry","2017","56","6","3144","3148","10.1021/acs.inorgchem.7b00071","","","1.54184","CuKα","","0.0638","0.0567","","","0.1553","0.1625","","","","","","1.046","","","","has coordinates,has disorder","194812","2020-10-21","18:00:00",""
"4345274","12.3934","0.0003","17.8674","0.0003","12.6492","0.0003","90","","102.452","0.002","90","","2735.12","0.11","300","2","300","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","[Tris-(4-{thiazol-4-yl}-3-aza-3-butenyl)amine]iron(II) di-tetrafluoroborate","","- C18 H21 B2 F8 Fe N7 S3 -","- C18 H21 B2 F8 Fe N7 S3 -","- C72 H84 B8 F32 Fe4 N28 S12 -","4","1","","Kulmaczewski, Rafal; Cespedes, Oscar; Halcrow, Malcolm A.","Gradual Thermal Spin-Crossover Mediated by a Reentrant Z' = 1 →Z' = 6 →Z' = 1 Phase Transition.","Inorganic chemistry","2017","56","6","3144","3148","10.1021/acs.inorgchem.7b00071","","","1.54184","CuKα","","0.0625","0.0524","","","0.1419","0.1515","","","","","","1.024","","","","has coordinates,has disorder","194812","2020-10-21","18:00:00",""
"4345275","15.3518","0.0005","17.8347","0.0006","29.6578","0.001","90","","103.208","0.003","90","","7905.3","0.5","175","2","175","2","","","","","","","","7","P 1 21 1","P 2yb","4","","[Tris-(4-{thiazol-4-yl}-3-aza-3-butenyl)amine]iron(II) di-tetrafluoroborate (re-entrant intermediate phase)","","- C18 H21 B2 F8 Fe N7 S3 -","- C18 H21 B2 F8 Fe N7 S3 -","- C216 H252 B24 F96 Fe12 N84 S36 -","12","6","","Kulmaczewski, Rafal; Cespedes, Oscar; Halcrow, Malcolm A.","Gradual Thermal Spin-Crossover Mediated by a Reentrant Z' = 1 →Z' = 6 →Z' = 1 Phase Transition.","Inorganic chemistry","2017","56","6","3144","3148","10.1021/acs.inorgchem.7b00071","","","1.54184","CuKα","","0.1255","0.0941","","","0.2463","0.2889","","","","","","1.046","","","","has coordinates,has disorder","194812","2020-10-21","18:00:00",""
"4345276","8.1829","0.0014","34.929","0.006","8.2568","0.0015","90","","118.462","0.004","90","","2074.7","0.6","100","2","100.02","","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","(1E,1'E)-1,1'-(1H-pyrrole-2,5-diyl)bis(N-phenylmethanimine)","","- C24 H27 N3 -","- C24 H27 N3 -","- C96 H108 N12 -","4","1","","Peters, Garvin M.; Winegrad, Jacob B.; Gau, Michael R.; Imler, Gregory H.; Xu, Beibei; Ren, Shenqiang; Wayland, Bradford B.; Zdilla, Michael J.","Synthesis and Structure of 2,5-Bis[N-(2,6-mesityl)iminomethyl]pyrrolylcobalt(II): Evidence for One-Electron-Oxidized, Redox Noninnocent Ligand Behavior.","Inorganic chemistry","2017","56","6","3377","3385","10.1021/acs.inorgchem.6b02898","","","0.71073","MoKα","","0.1052","0.0534","","","0.105","0.1222","","","","","","1.006","","","","has coordinates","194817","2020-10-21","18:00:00",""
"4345277","16.453","0.002","11.3132","0.0017","15.24","0.002","90","","108.344","0.003","90","","2692.6","0.6","100","2","100.02","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","dichloro(1E,1'E)-1,1'-(1H-pyrrolyl-2,5-diyl)bis(N-phenylmethanimine)cobalt(II) dichloromethane solvate","","- C24 H26 Cl2 Co N3 -","- C24 H26 Cl2 Co N3 -","- C96 H104 Cl8 Co4 N12 -","4","1","","Peters, Garvin M.; Winegrad, Jacob B.; Gau, Michael R.; Imler, Gregory H.; Xu, Beibei; Ren, Shenqiang; Wayland, Bradford B.; Zdilla, Michael J.","Synthesis and Structure of 2,5-Bis[N-(2,6-mesityl)iminomethyl]pyrrolylcobalt(II): Evidence for One-Electron-Oxidized, Redox Noninnocent Ligand Behavior.","Inorganic chemistry","2017","56","6","3377","3385","10.1021/acs.inorgchem.6b02898","","","0.71073","MoKα","","0.0795","0.0609","","","0.1205","0.129","","","","","","1.093","","","","has coordinates,has disorder","194817","2020-10-21","18:00:00",""
"4345278","21.2416","0.0014","14.4875","0.0009","16.147","0.0011","90","","107.557","0.001","90","","4737.6","0.5","100","2","100.03","","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","dichloro(1E,1'E)-1,1'-(1H-pyrrolyl-2,5-diyl)bis(N-phenylmethanimine)cobalt(II)","","- C24 H27 Cl2 Co N3 -","- C24 H26 Cl2 Co N3 -","- C192 H208 Cl16 Co8 N24 -","8","1","","Peters, Garvin M.; Winegrad, Jacob B.; Gau, Michael R.; Imler, Gregory H.; Xu, Beibei; Ren, Shenqiang; Wayland, Bradford B.; Zdilla, Michael J.","Synthesis and Structure of 2,5-Bis[N-(2,6-mesityl)iminomethyl]pyrrolylcobalt(II): Evidence for One-Electron-Oxidized, Redox Noninnocent Ligand Behavior.","Inorganic chemistry","2017","56","6","3377","3385","10.1021/acs.inorgchem.6b02898","","","0.71073","MoKα","","0.0308","0.0278","","","0.0698","0.0715","","","","","","1.059","","","","has coordinates,has disorder","194817","2020-10-21","18:00:00",""
"4345279","21.8537","0.0012","21.8537","0.0012","12.5914","0.0012","90","","90","","120","","5207.8","0.6","293","2","293","2","","","","","","","","6","P -3","-P 3","147","","","","- C12 H32 B12 Br6 N Na -","- C12 H32 B12 Br6 N Na -","- C72 H192 B72 Br36 N6 Na6 -","6","1","","Bertocco, Philipp; Derendorf, Janis; Jenne, Carsten; Kirsch, Christoph","Improving the Solubility of Halogenated 1-Ammonio-closo-dodecaborate Anions.","Inorganic chemistry","2017","56","6","3459","3466","10.1021/acs.inorgchem.6b03006","","x-ray","0.71073","MoKα","","0.1536","0.079","","","0.191","0.2289","","","","","","0.933","","","","has coordinates,has disorder","194822","2020-10-21","18:00:00",""
"4345280","19.0056","0.0007","13.9177","0.0006","12.0441","0.0005","90","","90","","90","","3185.8","0.2","293","2","293","2","","","","","","","","5","P c a 21","P 2c -2ac","29","","","","- C12 H36 B12 Br6 N2 -","- C12 H36 B12 Br6 N2 -","- C48 H144 B48 Br24 N8 -","4","1","","Bertocco, Philipp; Derendorf, Janis; Jenne, Carsten; Kirsch, Christoph","Improving the Solubility of Halogenated 1-Ammonio-closo-dodecaborate Anions.","Inorganic chemistry","2017","56","6","3459","3466","10.1021/acs.inorgchem.6b03006","","x-ray","0.71073","MoKα","","0.0513","0.0359","","","0.0698","0.074","","","","","","1.051","","","","has coordinates","194822","2020-10-21","18:00:00",""
"4345281","10.1599","0.0003","12.6988","0.0004","13.4526","0.0004","90","","99.741","0.003","90","","1710.61","0.09","120","0.1","120","0.1","","","","","","","","5","P 1 21/m 1","-P 2yb","11","","","","- C14 H37 B12 Cl6.39 N3 -","- C14 H37 B12 Cl6.396 N3 -","- C28 H74 B24 Cl12.792 N6 -","2","0.5","","Bertocco, Philipp; Derendorf, Janis; Jenne, Carsten; Kirsch, Christoph","Improving the Solubility of Halogenated 1-Ammonio-closo-dodecaborate Anions.","Inorganic chemistry","2017","56","6","3459","3466","10.1021/acs.inorgchem.6b03006","","x-ray","0.71073","MoKα","","0.0913","0.0868","","","0.205","0.2071","","","","","","1.177","","","","has coordinates,has disorder","194822","2020-10-21","18:00:00",""
"4345282","11.8703","0.0003","12.9055","0.0004","21.9887","0.0009","101.214","0.003","100.711","0.003","108.423","0.003","3022.1","0.2","150","1","150","1","","","","","","","","6","P -1","-P 1","2","","","","- C54 H46 B12 Cl11 N P2 -","- C54 H46 B12 Cl11 N P2 -","- C108 H92 B24 Cl22 N2 P4 -","2","1","","Bertocco, Philipp; Derendorf, Janis; Jenne, Carsten; Kirsch, Christoph","Improving the Solubility of Halogenated 1-Ammonio-closo-dodecaborate Anions.","Inorganic chemistry","2017","56","6","3459","3466","10.1021/acs.inorgchem.6b03006","","x-ray","0.71073","MoKα","","0.0956","0.0653","","","0.1611","0.1927","","","","","","1.069","","","","has coordinates,has disorder","194822","2020-10-21","18:00:00",""
"4345283","10.2497","0.0002","14.5802","0.0003","19.211","0.0004","90","","90","","90","","2870.94","0.1","120","0.1","120","0.1","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C11 H33 B12 Br6 N3 -","- C11 H33 B12 Br6 N3 -","- C44 H132 B48 Br24 N12 -","4","1","","Bertocco, Philipp; Derendorf, Janis; Jenne, Carsten; Kirsch, Christoph","Improving the Solubility of Halogenated 1-Ammonio-closo-dodecaborate Anions.","Inorganic chemistry","2017","56","6","3459","3466","10.1021/acs.inorgchem.6b03006","","x-ray","0.71073","MoKα","","0.0351","0.0274","","","0.0433","0.0456","","","","","","0.967","","","","has coordinates","194822","2020-10-21","18:00:00",""
"4345284","14.8804","0.0002","14.8804","0.0002","8.667","0.0003","90","","90","","90","","1919.1","0.08","294.25","0.19","294.25","0.19","","","","","","","","5","P 42/n :2","-P 4bc","86","","T2@PR","","- C20 H48 Ge4 N4 S10 -","- C20 H48 Ge4 N4 S10 -","- C40 H96 Ge8 N8 S20 -","2","0.25","","Lin, Jian; Fu, Zhixing; Zhang, Jiaxu; Zhu, Yujia; Hu, Dandan; Li, Dongsheng; Wu, Tao","Substituent-Modulated Assembly Formation: An Approach to Enhancing the Photostability of Photoelectric-Sensitive Chalcogenide-Based Ion-Pair Hybrids.","Inorganic chemistry","2017","56","6","3119","3122","10.1021/acs.inorgchem.6b03061","","","0.71073","MoKα","","0.0259","0.0202","","","0.0481","0.0499","","","","","","1.026","","","","has coordinates","194823","2020-10-21","18:00:00",""
"4345285","10.9718","0.0002","10.9718","0.0002","35.1588","0.0019","90","","90","","90","","4232.4","0.3","296.65","0.11","296.65","0.11","","","","","","","","6","I 41/a :2","-I 4ad","88","","T2@MV-1","","- C24 H40 Ge4 N4 O6 S10 -","- C24 H40 Ge4 N4 O6 S10 -","- C96 H160 Ge16 N16 O24 S40 -","4","0.25","","Lin, Jian; Fu, Zhixing; Zhang, Jiaxu; Zhu, Yujia; Hu, Dandan; Li, Dongsheng; Wu, Tao","Substituent-Modulated Assembly Formation: An Approach to Enhancing the Photostability of Photoelectric-Sensitive Chalcogenide-Based Ion-Pair Hybrids.","Inorganic chemistry","2017","56","6","3119","3122","10.1021/acs.inorgchem.6b03061","","","0.71073","MoKα","","0.0313","0.0261","","","0.0669","0.069","","","","","","1.073","","","","has coordinates","194823","2020-10-21","18:00:00",""
"4345286","9.3893","0.0002","21.0435","0.0004","20.2874","0.0005","90","","90.333","0.002","90","","4008.39","0.15","223","0.1","223","0.1","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","T2@MV-2","","- C24 H37 Ge4 N4 O5 S10 -","- C24 H37 Ge4 N4 O5 S10 -","- C96 H148 Ge16 N16 O20 S40 -","4","1","","Lin, Jian; Fu, Zhixing; Zhang, Jiaxu; Zhu, Yujia; Hu, Dandan; Li, Dongsheng; Wu, Tao","Substituent-Modulated Assembly Formation: An Approach to Enhancing the Photostability of Photoelectric-Sensitive Chalcogenide-Based Ion-Pair Hybrids.","Inorganic chemistry","2017","56","6","3119","3122","10.1021/acs.inorgchem.6b03061","","","0.71073","MoKα","","0.0441","0.0285","","","0.0542","0.0579","","","","","","0.989","","","","has coordinates","194823","2020-10-21","18:00:00",""
"4345287","10.215","0.0004","12.7962","0.0005","17.6646","0.0007","79.336","0.003","73.292","0.003","76.395","0.003","2132.29","0.15","223.01","0.1","223.01","0.1","","","","","","","","6","P -1","-P 1","2","","T2@EV","","- C28 H36 Ge4 N4 O4 S10 -","- C28 H36 Ge4 N4 O4 S10 -","- C56 H72 Ge8 N8 O8 S20 -","2","1","","Lin, Jian; Fu, Zhixing; Zhang, Jiaxu; Zhu, Yujia; Hu, Dandan; Li, Dongsheng; Wu, Tao","Substituent-Modulated Assembly Formation: An Approach to Enhancing the Photostability of Photoelectric-Sensitive Chalcogenide-Based Ion-Pair Hybrids.","Inorganic chemistry","2017","56","6","3119","3122","10.1021/acs.inorgchem.6b03061","","","0.71073","MoKα","","0.0725","0.064","","","0.1701","0.1752","","","","","","0.984","","","","has coordinates","194823","2020-10-21","18:00:00",""
"4345288","16.0719","0.0006","16.0719","0.0006","9.5961","0.0009","90","","90","","90","","2478.7","0.3","298","1","298","1","","","","","","","","5","P 42/n :2","-P 4bc","86","","T2@n-BV","","- C36 H52 Ge4 N4 S10 -","- C36 H52 Ge4 N4 S10 -","- C72 H104 Ge8 N8 S20 -","2","0.25","","Lin, Jian; Fu, Zhixing; Zhang, Jiaxu; Zhu, Yujia; Hu, Dandan; Li, Dongsheng; Wu, Tao","Substituent-Modulated Assembly Formation: An Approach to Enhancing the Photostability of Photoelectric-Sensitive Chalcogenide-Based Ion-Pair Hybrids.","Inorganic chemistry","2017","56","6","3119","3122","10.1021/acs.inorgchem.6b03061","","","0.71073","MoKα","","0.1865","0.0718","","","0.1442","0.1816","","","","","","0.93","","","","has coordinates","194823","2020-10-21","18:00:00",""
"4345289","16.49","0.0003","16.49","0.0003","9.6098","0.0004","90","","90","","90","","2613.1","0.13","226","5","226","5","","","","","","","","5","P 42/n :2","-P 4bc","86","","T2@AV","","- C40 H60 Ge4 N4 S10 -","- C40 H60 Ge4 N4 S10 -","- C80 H120 Ge8 N8 S20 -","2","0.25","","Lin, Jian; Fu, Zhixing; Zhang, Jiaxu; Zhu, Yujia; Hu, Dandan; Li, Dongsheng; Wu, Tao","Substituent-Modulated Assembly Formation: An Approach to Enhancing the Photostability of Photoelectric-Sensitive Chalcogenide-Based Ion-Pair Hybrids.","Inorganic chemistry","2017","56","6","3119","3122","10.1021/acs.inorgchem.6b03061","","","0.71073","MoKα","","0.0692","0.0495","","","0.1476","0.16","","","","","","1.117","","","","has coordinates","194823","2020-10-21","18:00:00",""
"4345290","15.794","0.0006","15.794","0.0006","10.4551","0.0009","90","","90","","90","","2608","0.3","273","2","273","2","","","","","","","","5","P 42/n :2","-P 4bc","86","","T2@BV","","- C48 H44 Ge4 N4 S10 -","- C48 H44 Ge4 N4 S10 -","- C96 H88 Ge8 N8 S20 -","2","0.25","","Lin, Jian; Fu, Zhixing; Zhang, Jiaxu; Zhu, Yujia; Hu, Dandan; Li, Dongsheng; Wu, Tao","Substituent-Modulated Assembly Formation: An Approach to Enhancing the Photostability of Photoelectric-Sensitive Chalcogenide-Based Ion-Pair Hybrids.","Inorganic chemistry","2017","56","6","3119","3122","10.1021/acs.inorgchem.6b03061","","","0.71073","MoKα","","0.2156","0.1144","","","0.2784","0.3267","","","","","","1.036","","","","has coordinates","194823","2020-10-21","18:00:00",""
"4345291","7.7053","0.0003","9.9702","0.0007","11.2564","0.0008","86.236","0.006","71.67","0.006","80.892","0.005","810.41","0.09","100","","100","","","","","","","","","6","P -1","-P 1","2","Methylene blue copper dichloride","copper(I) 3,7-bis(Dimethylamino)-phenothiazin-5-ium chloride","","- C16 H18 Cl2 Cu N3 S -","- C16 H18 Cl2 Cu N3 S -","- C32 H36 Cl4 Cu2 N6 S2 -","2","1","","Canossa, Stefano; Bacchi, Alessia; Graiff, Claudia; Pelagatti, Paolo; Predieri, Giovanni; Ienco, Andrea; Manca, Gabriele; Mealli, Carlo","Hierarchy of Supramolecular Arrangements and Building Blocks: Inverted Paradigm of Crystal Engineering in the Unprecedented Metal Coordination of Methylene Blue.","Inorganic chemistry","2017","56","6","3512","3516","10.1021/acs.inorgchem.6b02980","","","0.7","","","0.0312","0.0296","","","0.0818","0.0828","","","","","","1.099","","","","has coordinates","194824","2020-10-21","18:00:00",""
"4345292","7.412","0.0015","10.468","0.002","11.319","0.002","85.88","0.03","74.7","0.03","78.63","0.03","830.3","0.3","100","","100","","","","","","","","","6","P -1","-P 1","2","Methylene blue silver dichloride","silver(I) 3,7-bis(Dimethylamino)-phenothiazin-5-ium chloride","","- C16 H18 Ag Cl2 N3 S -","- C16 H18 Ag Cl2 N3 S -","- C32 H36 Ag2 Cl4 N6 S2 -","2","1","","Canossa, Stefano; Bacchi, Alessia; Graiff, Claudia; Pelagatti, Paolo; Predieri, Giovanni; Ienco, Andrea; Manca, Gabriele; Mealli, Carlo","Hierarchy of Supramolecular Arrangements and Building Blocks: Inverted Paradigm of Crystal Engineering in the Unprecedented Metal Coordination of Methylene Blue.","Inorganic chemistry","2017","56","6","3512","3516","10.1021/acs.inorgchem.6b02980","","","0.7","","","0.0701","0.0617","","","0.1601","0.165","","","","","","1.083","","","","has coordinates","194824","2020-10-21","18:00:00",""
"4345293","8.281","0.002","16.134","0.004","14.081","0.004","90","","105.988","0.005","90","","1808.5","0.8","296.15","","296.15","","","","","","","","","6","P 1 21/a 1","-P 2yab","14","methylene blue gold dichloride","MBAu","","- C16 H18 Au Cl2 N3 S -","- C16 H18 Au Cl2 N3 S -","- C64 H72 Au4 Cl8 N12 S4 -","4","1","","Canossa, Stefano; Bacchi, Alessia; Graiff, Claudia; Pelagatti, Paolo; Predieri, Giovanni; Ienco, Andrea; Manca, Gabriele; Mealli, Carlo","Hierarchy of Supramolecular Arrangements and Building Blocks: Inverted Paradigm of Crystal Engineering in the Unprecedented Metal Coordination of Methylene Blue.","Inorganic chemistry","2017","56","6","3512","3516","10.1021/acs.inorgchem.6b02980","","x-ray","0.71073","MoKα","","0.1422","0.1087","","","0.3515","0.3717","","","","","","1.172","","","","has coordinates","194824","2020-10-21","18:00:00",""
"4345294","10.2315","0.001","25.684","0.003","38.714","0.004","90","","94.802","0.003","90","","10137.8","1.9","100","2","100","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C66 H100 F36 N24 O2 P6 Pd3 -","- C66 H93 F36 N24 O2 P6 Pd3 -","- C264 H372 F144 N96 O8 P24 Pd12 -","4","1","","Roy, Bijan; Saha, Rupak; Ghosh, Aloke Kumar; Patil, Yogesh; Mukherjee, Partha Sarathi","Versatility of Two Diimidazole Building Blocks in Coordination-Driven Self-Assembly.","Inorganic chemistry","2017","56","6","3579","3588","10.1021/acs.inorgchem.7b00037","","","0.71073","MoKα","","0.1151","0.0828","","","0.1893","0.2106","","","","","","1.153","","","","has coordinates,has disorder","194803","2020-10-21","18:00:00",""
"4345295","8.977","0.002","16.826","0.004","19.366","0.004","89.882","0.006","80.001","0.006","85.863","0.006","2873.1","1.1","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","","","- C80 H120 N32 O28 Pd4 -","- C80 H120 N32 O28 Pd4 -","- C80 H120 N32 O28 Pd4 -","1","0.5","","Roy, Bijan; Saha, Rupak; Ghosh, Aloke Kumar; Patil, Yogesh; Mukherjee, Partha Sarathi","Versatility of Two Diimidazole Building Blocks in Coordination-Driven Self-Assembly.","Inorganic chemistry","2017","56","6","3579","3588","10.1021/acs.inorgchem.7b00037","","","0.71073","MoKα","","0.1878","0.0935","","","0.2001","0.2349","","","","","","1.027","","","","has coordinates","194803","2020-10-21","18:00:00",""
"4345296","32.293","0.003","31.265","0.003","35.443","0.004","90","","105.81","0.003","90","","34431","6","100","2","100","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C144 H120 N48 Pd6 -","- C144 H120 N48 Pd6 -","- C576 H480 N192 Pd24 -","4","0.5","","Roy, Bijan; Saha, Rupak; Ghosh, Aloke Kumar; Patil, Yogesh; Mukherjee, Partha Sarathi","Versatility of Two Diimidazole Building Blocks in Coordination-Driven Self-Assembly.","Inorganic chemistry","2017","56","6","3579","3588","10.1021/acs.inorgchem.7b00037","","","0.71073","MoKα","","0.1822","0.0795","","","0.1999","0.2233","","","","","","0.961","","","","has coordinates","194803","2020-10-21","18:00:00",""
"4345297","19.5","0.005","27.522","0.007","22.206","0.006","90","","94.13","0.02","90","","11887","5","100","2","100","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C80 H161 Al2 Cl12 O38 Ti8 -","- C80 H161 Al2 Cl12 O38 Ti8 -","- C320 H644 Al8 Cl48 O152 Ti32 -","4","1","","Petrus, Rafał; Utko, Józef; Lis, Tadeusz; Sobota, Piotr","Impact of Group 13 Metals on Cp2TiCl2 Reduction and Structural Characterization of Resulting Compounds","Inorganic Chemistry","2017","","","","","10.1021/acs.inorgchem.6b02824","","","0.71073","MoKα","","0.114","0.0645","","","0.1233","0.1482","","","","","","1.055","","","","has coordinates,has disorder","192790","2020-10-21","18:00:00",""
"4345298","11.041","0.003","12.542","0.003","14.715","0.004","80.35","0.02","68.76","0.02","85.55","0.02","1872.1","0.9","180","2","180","2","","","","","","","","6","P -1","-P 1","2","","","","- C28 H54 Al Cl3 O12 Ti2 -","- C28 H54 Al Cl3 O12 Ti2 -","- C56 H108 Al2 Cl6 O24 Ti4 -","2","1","","Petrus, Rafał; Utko, Józef; Lis, Tadeusz; Sobota, Piotr","Impact of Group 13 Metals on Cp2TiCl2 Reduction and Structural Characterization of Resulting Compounds","Inorganic Chemistry","2017","","","","","10.1021/acs.inorgchem.6b02824","","","0.71073","MoKα","","0.063","0.048","","","0.1307","0.1377","","","","","","0.986","","","","has coordinates,has disorder","192790","2020-10-21","18:00:00",""
"4345299","11.737","0.004","12.398","0.004","15.341","0.006","75.87","0.04","80.44","0.04","73.89","0.03","2068.2","1.3","180","2","180","2","","","","","","","","6","P -1","-P 1","2","","","","- C28.5 H57 Al Cl3 O11.5 Ti2 -","- C28.5 H57 Al Cl3 O11.5 Ti2 -","- C57 H114 Al2 Cl6 O23 Ti4 -","2","1","","Petrus, Rafał; Utko, Józef; Lis, Tadeusz; Sobota, Piotr","Impact of Group 13 Metals on Cp2TiCl2 Reduction and Structural Characterization of Resulting Compounds","Inorganic Chemistry","2017","","","","","10.1021/acs.inorgchem.6b02824","","","0.71073","MoKα","","0.1174","0.0827","","","0.2341","0.261","","","","","","0.965","","","","has coordinates,has disorder","192790","2020-10-21","18:00:00",""
"4345300","13.212","0.003","24.938","0.007","27.221","0.007","90","","90","","90","","8969","4","95","2","95","2","","","","","","","","7","P b c a","-P 2ac 2ab","61","","","","- C35 H56 Al Cl6 Fe O10 Ti3 -","- C35 H56 Al Cl6 Fe O10 Ti3 -","- C280 H448 Al8 Cl48 Fe8 O80 Ti24 -","8","1","","Petrus, Rafał; Utko, Józef; Lis, Tadeusz; Sobota, Piotr","Impact of Group 13 Metals on Cp2TiCl2 Reduction and Structural Characterization of Resulting Compounds","Inorganic Chemistry","2017","","","","","10.1021/acs.inorgchem.6b02824","","","0.71073","MoKα","","0.0712","0.0436","","","0.0824","0.0923","","","","","","1.04","","","","has coordinates","192790","2020-10-21","18:00:00",""
"4345301","10.813","0.004","9.924","0.003","30.268","0.009","90","","93.32","0.03","90","","3242.6","1.8","150","2","150","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C55 H80 Cl8 Ga2 O10 Ti4 -","- C55 H80 Cl8 Ga2 O10 Ti4 -","- C110 H160 Cl16 Ga4 O20 Ti8 -","2","0.5","","Petrus, Rafał; Utko, Józef; Lis, Tadeusz; Sobota, Piotr","Impact of Group 13 Metals on Cp2TiCl2 Reduction and Structural Characterization of Resulting Compounds","Inorganic Chemistry","2017","","","","","10.1021/acs.inorgchem.6b02824","","","0.71073","MoKα","","0.0826","0.0531","","","0.1248","0.1345","","","","","","0.921","","","","has coordinates,has disorder","192790","2020-10-21","18:00:00",""
"4345302","25.809","0.005","7.9901","0.0015","26.998","0.005","90","","108.32","0.02","90","","5285.3","1.8","100","2","100","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C21 H30 Cl4 Ga O3 Ti2 -","- C21 H30 Cl4.002 Ga1.001 O3 Ti2 -","- C168 H240 Cl32.016 Ga8.008 O24 Ti16 -","8","2","","Petrus, Rafał; Utko, Józef; Lis, Tadeusz; Sobota, Piotr","Impact of Group 13 Metals on Cp2TiCl2 Reduction and Structural Characterization of Resulting Compounds","Inorganic Chemistry","2017","","","","","10.1021/acs.inorgchem.6b02824","","","0.71073","MoKα","","0.0813","0.0591","","","0.1637","0.1735","","","","","","1.041","","","","has coordinates,has disorder","192790","2020-10-21","18:00:00",""
"4345303","8.2653","0.0016","34.916","0.006","13.17","0.002","90","","90","","90","","3800.7","1.1","90","2","90","2","","","","","","","","5","F d d 2","F 2 -2d","43","","","","- C16 H24 Cl2 O4 Ti2 -","- C16 H24 Cl2 O4 Ti2 -","- C128 H192 Cl16 O32 Ti16 -","8","0.5","","Petrus, Rafał; Utko, Józef; Lis, Tadeusz; Sobota, Piotr","Impact of Group 13 Metals on Cp2TiCl2 Reduction and Structural Characterization of Resulting Compounds","Inorganic Chemistry","2017","","","","","10.1021/acs.inorgchem.6b02824","","","0.71073","MoKα","","0.0148","0.0146","","","0.0391","0.0391","","","","","","1.062","","","","has coordinates","192790","2020-10-21","18:00:00",""
"4345304","8.6249","0.0019","7.1156","0.0018","15.685","0.005","90","","101.98","0.04","90","","941.6","0.5","80","2","80","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C16 H24 Cl2 O4 Ti2 -","- C16 H24 Cl2 O4 Ti2 -","- C32 H48 Cl4 O8 Ti4 -","2","0.5","","Petrus, Rafał; Utko, Józef; Lis, Tadeusz; Sobota, Piotr","Impact of Group 13 Metals on Cp2TiCl2 Reduction and Structural Characterization of Resulting Compounds","Inorganic Chemistry","2017","","","","","10.1021/acs.inorgchem.6b02824","","","0.71073","MoKα","","0.0662","0.0539","","","0.1249","0.1342","","","","","","1.094","","","","has coordinates","192790","2020-10-21","18:00:00",""
"4345305","19.52","0.007","14.47","0.005","7.4736","0.0018","90","","90","","90","","2111","1.2","80","2","80","2","","","","","","","","5","P n a 21","P 2c -2n","33","","","","- C21 H29 Cl O4 Ti2 -","- C21 H29 Cl O4 Ti2 -","- C84 H116 Cl4 O16 Ti8 -","4","1","","Petrus, Rafał; Utko, Józef; Lis, Tadeusz; Sobota, Piotr","Impact of Group 13 Metals on Cp2TiCl2 Reduction and Structural Characterization of Resulting Compounds","Inorganic Chemistry","2017","","","","","10.1021/acs.inorgchem.6b02824","","","0.71073","MoKα","","0.0888","0.0568","","","0.0912","0.1028","","","","","","1.007","","","","has coordinates","192790","2020-10-21","18:00:00",""
"4345306","13.736","0.005","14.93","0.006","18.026","0.006","93.33","0.03","109.04","0.03","111.7","0.03","3179","2","80","2","80","2","","","","","","","","6","P -1","-P 1","2","","","","- C18 H42 Cl4 In2 O12 Ti -","- C18 H42 Cl4 In2 O12 Ti -","- C72 H168 Cl16 In8 O48 Ti4 -","4","2","","Petrus, Rafał; Utko, Józef; Lis, Tadeusz; Sobota, Piotr","Impact of Group 13 Metals on Cp2TiCl2 Reduction and Structural Characterization of Resulting Compounds","Inorganic Chemistry","2017","","","","","10.1021/acs.inorgchem.6b02824","","","0.71073","MoKα","","0.0696","0.0446","","","0.0764","0.0877","","","","","","1.033","","","","has coordinates,has disorder","192790","2020-10-21","18:00:00",""
"4345307","8.848","0.003","9.437","0.003","10.924","0.004","90.66","0.03","110.3","0.04","112.72","0.03","777.9","0.6","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","","","- C18 H46 Cl4 In2 O12 -","- C18 H46 Cl4 In2 O12 -","- C18 H46 Cl4 In2 O12 -","1","0.5","","Petrus, Rafał; Utko, Józef; Lis, Tadeusz; Sobota, Piotr","Impact of Group 13 Metals on Cp2TiCl2 Reduction and Structural Characterization of Resulting Compounds","Inorganic Chemistry","2017","","","","","10.1021/acs.inorgchem.6b02824","","","0.71073","MoKα","","0.0468","0.0392","","","0.0957","0.0975","","","","","","1.08","","","","has coordinates,has disorder","192790","2020-10-21","18:00:00",""
"4345308","6.8846","0.0019","16.573","0.004","14.943","0.004","90","","98.19","0.03","90","","1687.6","0.8","293","2","293","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C17 H18 N4 O5 -","- C17 H18 N4 O5 -","- C68 H72 N16 O20 -","4","1","","Asthana, Sharad Kumar; Kumar, Ajit; Neeraj, ?; Shweta, ?; Hira, Sumit Kumar; Manna, Partha Pratim; Upadhyay, K. K.","Brightening Quinolineimines by Al(3+) and Subsequent Quenching by PPi/PA in Aqueous Medium: Synthesis, Crystal Structures, Binding Behavior, Theoretical and Cell Imaging Studies.","Inorganic chemistry","2017","56","6","3315","3323","10.1021/acs.inorgchem.6b02752","","","0.71073","MoKα","","0.121","0.061","","","0.1262","0.1636","","","","","","1.033","","","","has coordinates","194807","2020-10-21","18:00:00",""
"4345309","16.1557","0.0018","16.9686","0.0019","18.876","0.002","90.062","0.003","68.455","0.003","63.664","0.003","4229.2","0.8","100","","100","","","","","","","","","5","P -1","-P 1","2","","","","- C34 H24 Al N8 O6 -","- C34 H24 Al N8 O6 -","- C136 H96 Al4 N32 O24 -","4","2","","Asthana, Sharad Kumar; Kumar, Ajit; Neeraj, ?; Shweta, ?; Hira, Sumit Kumar; Manna, Partha Pratim; Upadhyay, K. K.","Brightening Quinolineimines by Al(3+) and Subsequent Quenching by PPi/PA in Aqueous Medium: Synthesis, Crystal Structures, Binding Behavior, Theoretical and Cell Imaging Studies.","Inorganic chemistry","2017","56","6","3315","3323","10.1021/acs.inorgchem.6b02752","","","0.71073","MoKα","","0.1836","0.0921","","","0.2359","0.2645","","","","","","0.896","","","","has coordinates","194807","2020-10-21","18:00:00",""
"4345310","15.274","0.0016","9.4719","0.0005","15.8031","0.0015","90","","116.98","0.013","90","","2037.5","0.4","293","2","293","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C20 H21 N5 O3 S -","- C20 H21 N5 O3 S -","- C80 H84 N20 O12 S4 -","4","1","","Asthana, Sharad Kumar; Kumar, Ajit; Neeraj, ?; Shweta, ?; Hira, Sumit Kumar; Manna, Partha Pratim; Upadhyay, K. K.","Brightening Quinolineimines by Al(3+) and Subsequent Quenching by PPi/PA in Aqueous Medium: Synthesis, Crystal Structures, Binding Behavior, Theoretical and Cell Imaging Studies.","Inorganic chemistry","2017","56","6","3315","3323","10.1021/acs.inorgchem.6b02752","","","0.71073","MoKα","","0.089","0.0513","","","0.1161","0.1382","","","","","","1.021","","","","has coordinates","194807","2020-10-21","18:00:00",""
"4345311","15.3956","0.0017","29.745","0.003","12.4075","0.0013","90","","107.635","0.003","90","","5414.9","1","90","2","90","2","","","","","","","","8","P 1 21/c 1","-P 2ybc","14","","","","- C49 H57 F12 Mo N3 O2 P2 Sb2 -","- C49 H57 F12 Mo N3 O2 P2 Sb2 -","- C196 H228 F48 Mo4 N12 O8 P8 Sb8 -","4","1","","Handford, Rex C.; Wakeham, Russell J.; Patrick, Brian O.; Legzdins, Peter","Cationic and Neutral Cp*M(NO)(κ(2)-Ph2PCH2CH2PPh2) Complexes of Molybdenum and Tungsten: Lewis-Acid-Induced Intramolecular C-H Activation.","Inorganic chemistry","2017","56","6","3612","3622","10.1021/acs.inorgchem.7b00027","","x-ray","0.71073","MoKα","","0.0612","0.0393","","","0.0653","0.0709","","","","","","1.053","","","","has coordinates","194816","2020-10-21","18:00:00",""
"4345312","12.703","0.004","14.858","0.005","15.506","0.005","97.659","0.01","109.833","0.009","98.26","0.01","2671.9","1.5","90","2","90","2","","","","","","","","8","P -1","-P 1","2","","","","- C51 H57 F6 N3 O8 P2 S2 W -","- C51 H57 F6 N3 O8 P2 S2 W -","- C102 H114 F12 N6 O16 P4 S4 W2 -","2","1","","Handford, Rex C.; Wakeham, Russell J.; Patrick, Brian O.; Legzdins, Peter","Cationic and Neutral Cp*M(NO)(κ(2)-Ph2PCH2CH2PPh2) Complexes of Molybdenum and Tungsten: Lewis-Acid-Induced Intramolecular C-H Activation.","Inorganic chemistry","2017","56","6","3612","3622","10.1021/acs.inorgchem.7b00027","","x-ray","0.71073","MoKα","","0.0379","0.0295","","","0.0635","0.0669","","","","","","1.03","","","","has coordinates","194816","2020-10-21","18:00:00",""
"4345313","11.1049","0.0008","17.7276","0.0011","16.8885","0.0014","90","","108.002","0.003","90","","3162","0.4","90","2","90","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C36 H39 Mo N O P2 -","- C36 H39 Mo N O P2 -","- C144 H156 Mo4 N4 O4 P8 -","4","1","","Handford, Rex C.; Wakeham, Russell J.; Patrick, Brian O.; Legzdins, Peter","Cationic and Neutral Cp*M(NO)(κ(2)-Ph2PCH2CH2PPh2) Complexes of Molybdenum and Tungsten: Lewis-Acid-Induced Intramolecular C-H Activation.","Inorganic chemistry","2017","56","6","3612","3622","10.1021/acs.inorgchem.7b00027","","x-ray","0.71073","MoKα","","0.0505","0.0327","","","0.0666","0.0728","","","","","","1.01","","","","has coordinates","194816","2020-10-21","18:00:00",""
"4345314","10.7531","0.001","25.536","0.003","15.771","0.0015","90","","105.577","0.002","90","","4171.5","0.7","90","2","90","2","","","","","","","","8","P 1 21/c 1","-P 2ybc","14","","","","- C39 H40 F6 N2 O7 P2 S2 W -","- C39 H40 F6 N2 O7 P2 S2 W -","- C156 H160 F24 N8 O28 P8 S8 W4 -","4","1","","Handford, Rex C.; Wakeham, Russell J.; Patrick, Brian O.; Legzdins, Peter","Cationic and Neutral Cp*M(NO)(κ(2)-Ph2PCH2CH2PPh2) Complexes of Molybdenum and Tungsten: Lewis-Acid-Induced Intramolecular C-H Activation.","Inorganic chemistry","2017","56","6","3612","3622","10.1021/acs.inorgchem.7b00027","","x-ray","0.71073","MoKα","","0.0485","0.033","","","0.0653","0.0704","","","","","","1.015","","","","has coordinates,has disorder","194816","2020-10-21","18:00:00",""
"4345315","26.571","0.004","9.867","0.0013","19.202","0.003","90","","130.646","0.009","90","","3819.8","1.1","100","2","100","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C16 H22 N4 O5 S -","- C16 H22 N4 O5 S -","- C128 H176 N32 O40 S8 -","8","1","","Zaltariov, Mirela F.; Hammerstad, Marta; Arabshahi, Homayon J.; Jovanović, Katarina; Richter, Klaus W.; Cazacu, Maria; Shova, Sergiu; Balan, Mihaela; Andersen, Niels H.; Radulović, Siniša; Reynisson, Jóhannes; Andersson, K. Kristoffer; Arion, Vladimir B.","New Iminodiacetate-Thiosemicarbazone Hybrids and Their Copper(II) Complexes Are Potential Ribonucleotide Reductase R2 Inhibitors with High Antiproliferative Activity.","Inorganic chemistry","2017","56","6","3532","3549","10.1021/acs.inorgchem.6b03178","","","0.71073","MoKα","","0.0783","0.0497","","","0.1146","0.1297","","","","","","1.014","","","","has coordinates","194815","2020-10-21","18:00:00",""
"4345316","9.8999","0.0004","13.2618","0.0006","15.7128","0.0007","90","","103.533","0.0017","90","","2005.66","0.15","100","2","100","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C18 H26 N4 O5 S -","- C18 H26 N4 O5 S -","- C72 H104 N16 O20 S4 -","4","1","","Zaltariov, Mirela F.; Hammerstad, Marta; Arabshahi, Homayon J.; Jovanović, Katarina; Richter, Klaus W.; Cazacu, Maria; Shova, Sergiu; Balan, Mihaela; Andersen, Niels H.; Radulović, Siniša; Reynisson, Jóhannes; Andersson, K. Kristoffer; Arion, Vladimir B.","New Iminodiacetate-Thiosemicarbazone Hybrids and Their Copper(II) Complexes Are Potential Ribonucleotide Reductase R2 Inhibitors with High Antiproliferative Activity.","Inorganic chemistry","2017","56","6","3532","3549","10.1021/acs.inorgchem.6b03178","","","0.71073","MoKα","","0.0474","0.0369","","","0.0928","0.0983","","","","","","1.028","","","","has coordinates","194815","2020-10-21","18:00:00",""
"4345317","9.7389","0.001","13.9593","0.0017","16.667","0.002","90","","106.913","0.004","90","","2167.8","0.4","100","2","100","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C20 H28 N4 O5 S -","- C20 H28 N4 O5 S -","- C80 H112 N16 O20 S4 -","4","1","","Zaltariov, Mirela F.; Hammerstad, Marta; Arabshahi, Homayon J.; Jovanović, Katarina; Richter, Klaus W.; Cazacu, Maria; Shova, Sergiu; Balan, Mihaela; Andersen, Niels H.; Radulović, Siniša; Reynisson, Jóhannes; Andersson, K. Kristoffer; Arion, Vladimir B.","New Iminodiacetate-Thiosemicarbazone Hybrids and Their Copper(II) Complexes Are Potential Ribonucleotide Reductase R2 Inhibitors with High Antiproliferative Activity.","Inorganic chemistry","2017","56","6","3532","3549","10.1021/acs.inorgchem.6b03178","","","0.71073","MoKα","","0.0691","0.0504","","","0.1325","0.1447","","","","","","1.064","","","","has coordinates,has disorder","194815","2020-10-21","18:00:00",""
"4345318","7.5117","0.0005","11.4401","0.0009","15.5121","0.0012","106.14","0.003","103.555","0.003","95.311","0.002","1226.94","0.16","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","","","- C26 H28 N4 O5 S -","- C26 H28 N4 O5 S -","- C52 H56 N8 O10 S2 -","2","1","","Zaltariov, Mirela F.; Hammerstad, Marta; Arabshahi, Homayon J.; Jovanović, Katarina; Richter, Klaus W.; Cazacu, Maria; Shova, Sergiu; Balan, Mihaela; Andersen, Niels H.; Radulović, Siniša; Reynisson, Jóhannes; Andersson, K. Kristoffer; Arion, Vladimir B.","New Iminodiacetate-Thiosemicarbazone Hybrids and Their Copper(II) Complexes Are Potential Ribonucleotide Reductase R2 Inhibitors with High Antiproliferative Activity.","Inorganic chemistry","2017","56","6","3532","3549","10.1021/acs.inorgchem.6b03178","","","0.71073","MoKα","","0.0563","0.0411","","","0.0968","0.1031","","","","","","1.03","","","","has coordinates","194815","2020-10-21","18:00:00",""
"4345319","18.006","0.004","5.9554","0.0011","22.538","0.004","90","","99.837","0.006","90","","2381.3","0.8","100","2","100","2","","","","","","","","6","P 1 2/c 1","-P 2yc","13","","","","- C20 H32 N4 O5 S Si -","- C20 H32 N4 O5 S Si -","- C80 H128 N16 O20 S4 Si4 -","4","1","","Zaltariov, Mirela F.; Hammerstad, Marta; Arabshahi, Homayon J.; Jovanović, Katarina; Richter, Klaus W.; Cazacu, Maria; Shova, Sergiu; Balan, Mihaela; Andersen, Niels H.; Radulović, Siniša; Reynisson, Jóhannes; Andersson, K. Kristoffer; Arion, Vladimir B.","New Iminodiacetate-Thiosemicarbazone Hybrids and Their Copper(II) Complexes Are Potential Ribonucleotide Reductase R2 Inhibitors with High Antiproliferative Activity.","Inorganic chemistry","2017","56","6","3532","3549","10.1021/acs.inorgchem.6b03178","","","0.71073","MoKα","","0.0938","0.0535","","","0.1127","0.1281","","","","","","1.026","","","","has coordinates","194815","2020-10-21","18:00:00",""
"4345320","12.4832","0.001","7.8567","0.0007","22.7343","0.0019","90","","95.742","0.008","90","","2218.5","0.3","296","2","296","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C17 H28 N4 O7 S -","- C17 H28 N4 O7 S -","- C68 H112 N16 O28 S4 -","4","1","","Zaltariov, Mirela F.; Hammerstad, Marta; Arabshahi, Homayon J.; Jovanović, Katarina; Richter, Klaus W.; Cazacu, Maria; Shova, Sergiu; Balan, Mihaela; Andersen, Niels H.; Radulović, Siniša; Reynisson, Jóhannes; Andersson, K. Kristoffer; Arion, Vladimir B.","New Iminodiacetate-Thiosemicarbazone Hybrids and Their Copper(II) Complexes Are Potential Ribonucleotide Reductase R2 Inhibitors with High Antiproliferative Activity.","Inorganic chemistry","2017","56","6","3532","3549","10.1021/acs.inorgchem.6b03178","","","0.71073","MoKα","","0.0962","0.0604","","","0.1449","0.1619","","","","","","1.08","","","","has coordinates","194815","2020-10-21","18:00:00",""
"4345321","14.1228","0.001","19.8681","0.001","9.6561","0.0005","90","","107.186","0.003","90","","2588.5","0.3","100","2","100","2","","","","","","","","7","C 1 c 1","C -2yc","9","","","","- C17 H25 Cl3 Cu2 N4 O6 S -","- C17 H25 Cl3 Cu2 N4 O6 S -","- C68 H100 Cl12 Cu8 N16 O24 S4 -","4","1","","Zaltariov, Mirela F.; Hammerstad, Marta; Arabshahi, Homayon J.; Jovanović, Katarina; Richter, Klaus W.; Cazacu, Maria; Shova, Sergiu; Balan, Mihaela; Andersen, Niels H.; Radulović, Siniša; Reynisson, Jóhannes; Andersson, K. Kristoffer; Arion, Vladimir B.","New Iminodiacetate-Thiosemicarbazone Hybrids and Their Copper(II) Complexes Are Potential Ribonucleotide Reductase R2 Inhibitors with High Antiproliferative Activity.","Inorganic chemistry","2017","56","6","3532","3549","10.1021/acs.inorgchem.6b03178","","","0.71073","MoKα","","0.0394","0.0377","","","0.0887","0.0896","","","","","","1.11","","","","has coordinates,has disorder","194815","2020-10-21","18:00:00",""
"4345322","9.7639","0.0003","10.2022","0.0003","11.8106","0.0004","73.2957","0.0013","77.356","0.0014","80.2248","0.0013","1092.31","0.06","297","2","297","2","","","","","","","","6","P -1","-P 1","2","","","","- C18 H24 Cu2 N4 O6 S -","- C18 H24 Cu2 N4 O6 S -","- C36 H48 Cu4 N8 O12 S2 -","2","1","","Zaltariov, Mirela F.; Hammerstad, Marta; Arabshahi, Homayon J.; Jovanović, Katarina; Richter, Klaus W.; Cazacu, Maria; Shova, Sergiu; Balan, Mihaela; Andersen, Niels H.; Radulović, Siniša; Reynisson, Jóhannes; Andersson, K. Kristoffer; Arion, Vladimir B.","New Iminodiacetate-Thiosemicarbazone Hybrids and Their Copper(II) Complexes Are Potential Ribonucleotide Reductase R2 Inhibitors with High Antiproliferative Activity.","Inorganic chemistry","2017","56","6","3532","3549","10.1021/acs.inorgchem.6b03178","","","0.71073","MoKα","","0.0357","0.0262","","","0.0662","0.0702","","","","","","1.031","","","","has coordinates","194815","2020-10-21","18:00:00",""
"4345323","11.5547","0.0003","12.2256","0.0003","16.5508","0.0004","90","","96.3563","0.0011","90","","2323.65","0.1","298","2","298","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C20 H26 Cu2 N4 O6 S -","- C20 H26 Cu2 N4 O6 S -","- C80 H104 Cu8 N16 O24 S4 -","4","1","","Zaltariov, Mirela F.; Hammerstad, Marta; Arabshahi, Homayon J.; Jovanović, Katarina; Richter, Klaus W.; Cazacu, Maria; Shova, Sergiu; Balan, Mihaela; Andersen, Niels H.; Radulović, Siniša; Reynisson, Jóhannes; Andersson, K. Kristoffer; Arion, Vladimir B.","New Iminodiacetate-Thiosemicarbazone Hybrids and Their Copper(II) Complexes Are Potential Ribonucleotide Reductase R2 Inhibitors with High Antiproliferative Activity.","Inorganic chemistry","2017","56","6","3532","3549","10.1021/acs.inorgchem.6b03178","","","0.71073","MoKα","","0.0253","0.0225","","","0.0608","0.0625","","","","","","1.048","","","","has coordinates,has disorder","194815","2020-10-21","18:00:00",""
"4345324","39.388","0.003","11.2455","0.0008","12.9893","0.0009","90","","91.663","0.004","90","","5751","0.7","296","2","296","2","","","","","","","","7","C 1 2/c 1","-C 2yc","15","","","","- C26 H25 Cl3 Cu2 N4 O5 S -","- C26 H25 Cl3 Cu2 N4 O5 S -","- C208 H200 Cl24 Cu16 N32 O40 S8 -","8","1","","Zaltariov, Mirela F.; Hammerstad, Marta; Arabshahi, Homayon J.; Jovanović, Katarina; Richter, Klaus W.; Cazacu, Maria; Shova, Sergiu; Balan, Mihaela; Andersen, Niels H.; Radulović, Siniša; Reynisson, Jóhannes; Andersson, K. Kristoffer; Arion, Vladimir B.","New Iminodiacetate-Thiosemicarbazone Hybrids and Their Copper(II) Complexes Are Potential Ribonucleotide Reductase R2 Inhibitors with High Antiproliferative Activity.","Inorganic chemistry","2017","56","6","3532","3549","10.1021/acs.inorgchem.6b03178","","","0.71073","MoKα","","0.1071","0.0515","","","0.1106","0.1308","","","","","","1.002","","","","has coordinates","194815","2020-10-21","18:00:00",""
"4345325","9.1026","0.0007","21.4679","0.0016","24.8549","0.0018","90","","95.366","0.003","90","","4835.7","0.6","100","2","100","2","","","","","","","","7","C 1 c 1","C -2yc","9","","","","- C17.5 H25 Cl3 Cu2 N4 O5.5 S -","- C17.5 H25 Cl3 Cu2 N4 O5.5 S -","- C140 H200 Cl24 Cu16 N32 O44 S8 -","8","2","","Zaltariov, Mirela F.; Hammerstad, Marta; Arabshahi, Homayon J.; Jovanović, Katarina; Richter, Klaus W.; Cazacu, Maria; Shova, Sergiu; Balan, Mihaela; Andersen, Niels H.; Radulović, Siniša; Reynisson, Jóhannes; Andersson, K. Kristoffer; Arion, Vladimir B.","New Iminodiacetate-Thiosemicarbazone Hybrids and Their Copper(II) Complexes Are Potential Ribonucleotide Reductase R2 Inhibitors with High Antiproliferative Activity.","Inorganic chemistry","2017","56","6","3532","3549","10.1021/acs.inorgchem.6b03178","","","0.71073","MoKα","","0.053","0.0392","","","0.0823","0.088","","","","","","1.026","","","","has coordinates","254024","2020-10-21","18:00:00",""
"4345326","9.9553","0.0005","17.6353","0.0009","14.8611","0.0006","90","","105.785","0.002","90","","2510.7","0.2","296","2","296","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C18 H25 Cl3 Cu2 N4 O6 S -","- C18 H25 Cl3 Cu2 N4 O6 S -","- C72 H100 Cl12 Cu8 N16 O24 S4 -","4","1","","Zaltariov, Mirela F.; Hammerstad, Marta; Arabshahi, Homayon J.; Jovanović, Katarina; Richter, Klaus W.; Cazacu, Maria; Shova, Sergiu; Balan, Mihaela; Andersen, Niels H.; Radulović, Siniša; Reynisson, Jóhannes; Andersson, K. Kristoffer; Arion, Vladimir B.","New Iminodiacetate-Thiosemicarbazone Hybrids and Their Copper(II) Complexes Are Potential Ribonucleotide Reductase R2 Inhibitors with High Antiproliferative Activity.","Inorganic chemistry","2017","56","6","3532","3549","10.1021/acs.inorgchem.6b03178","","","0.71073","MoKα","","0.0532","0.035","","","0.0862","0.0964","","","","","","1.019","","","","has coordinates","194815","2020-10-21","18:00:00",""
"4345327","24.644","0.002","24.644","0.002","7.1068","0.0006","90","","90","","120","","3737.9","0.5","100","2","100","2","","","","","","","","5","P 6/m","-P 6","175","","","","- C12 H8 Fe N2 O4 -","- C12 H8 Fe N2 O4 -","- C72 H48 Fe6 N12 O24 -","6","0.5","","Kawamura, Airi; Greenwood, Arin R.; Filatov, Alexander S.; Gallagher, Audrey T.; Galli, Giulia; Anderson, John S.","Incorporation of Pyrazine and Bipyridine Linkers with High-Spin Fe(II) and Co(II) in a Metal-Organic Framework.","Inorganic chemistry","2017","56","6","3349","3356","10.1021/acs.inorgchem.6b02883","","","0.71073","MoKα","","0.0786","0.0643","","","0.1645","0.1699","","","","","","1.098","","","","has coordinates","194818","2020-10-21","18:00:00",""
"4345328","13.4698","0.0003","23.7635","0.0005","25.6963","0.0005","90","","90","","90","","8225.1","0.3","123","2","123","2","","","","","","","","7","P b c a","-P 2ac 2ab","61","","","","- C40 H33 B F20 Fe N4 O2 -","- C40 H33 B F20 Fe N4 O2 -","- C320 H264 B8 F160 Fe8 N32 O16 -","8","1","","Bigelow, Jennifer O.; England, Jason; Klein, Johannes E. M. N.; Farquhar, Erik R.; Frisch, Jonathan R.; Martinho, Marlène; Mandal, Debasish; Münck, Eckard; Shaik, Sason; Que, Jr, Lawrence","Oxoiron(IV) Tetramethylcyclam Complexes with Axial Carboxylate Ligands: Effect of Tethering the Carboxylate on Reactivity.","Inorganic chemistry","2017","56","6","3287","3301","10.1021/acs.inorgchem.6b02659","","","1.54178","CuKα","","0.0369","0.0291","","","0.0723","0.076","","","","","","1.026","","","","has coordinates","194819","2020-10-21","18:00:00",""
"4345329","15.1343","0.0017","9.9223","0.0011","24.85","0.003","90","","98.124","0.002","90","","3694.2","0.7","173","2","173","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","08008a","","","- C40 H55 B Fe N4 O2 -","- C40 H55 B Fe N4 O2 -","- C160 H220 B4 Fe4 N16 O8 -","4","1","","Bigelow, Jennifer O.; England, Jason; Klein, Johannes E. M. N.; Farquhar, Erik R.; Frisch, Jonathan R.; Martinho, Marlène; Mandal, Debasish; Münck, Eckard; Shaik, Sason; Que, Jr, Lawrence","Oxoiron(IV) Tetramethylcyclam Complexes with Axial Carboxylate Ligands: Effect of Tethering the Carboxylate on Reactivity.","Inorganic chemistry","2017","56","6","3287","3301","10.1021/acs.inorgchem.6b02659","","","0.71073","MoKα","","0.0572","0.041","","","0.0827","0.0881","","","","","","1.043","","","","has coordinates","194819","2020-10-21","18:00:00",""
"4345330","13.1624","0.0019","13.1624","0.0019","8.3592","0.0017","90","","90","","120","","1254.2","0.4","100","","100","","","","","","","","","5","P 63/m","-P 6c","176","Lanthanum-pentafluoroethyltricyanoborate","Tris(pentafluoroethyltri(cyano-κC))borat-κN-lanthanum","","- C15 B3 F15 La N9 -","- C15 B3 F15 La N9 -","- C30 B6 F30 La2 N18 -","2","0.166667","","Ribbeck, Tatjana; Zottnick, Sven H.; Kerpen, Christoph; Landmann, Johannes; Ignat'ev, Nikolai V.; Müller-Buschbaum, Klaus; Finze, Maik","Anhydrous, Homoleptic Lanthanide Frameworks with the Pentafluoroethyltricyanoborate Anion.","Inorganic chemistry","2017","56","4","2278","2286","10.1021/acs.inorgchem.6b02984","","","0.71073","MoKα","","0.0223","0.0199","","","0.0527","0.0542","","","","","","1.068","","","","has coordinates","192890","2020-10-21","18:00:00",""
"4345331","10.6951","0.0012","10.799","0.0013","12.9833","0.0015","79.437","0.003","84.777","0.003","80.451","0.003","1450.8","0.3","100","2","100","2","","","","","","","","7","P -1","-P 1","2","","","","- C15 H6 B3 Eu F15 N9 O3 -","- C15 H6 B3 Eu F15 N9 O3 -","- C30 H12 B6 Eu2 F30 N18 O6 -","2","1","","Ribbeck, Tatjana; Zottnick, Sven H.; Kerpen, Christoph; Landmann, Johannes; Ignat'ev, Nikolai V.; Müller-Buschbaum, Klaus; Finze, Maik","Anhydrous, Homoleptic Lanthanide Frameworks with the Pentafluoroethyltricyanoborate Anion.","Inorganic chemistry","2017","56","4","2278","2286","10.1021/acs.inorgchem.6b02984","","","0.71073","MoKα","","0.0564","0.0431","","","0.1065","0.1159","","","","","","1.032","","","","has coordinates","192891","2020-10-21","18:00:00",""
"4345332","16.242","0.0004","8.4344","0.0003","22.409","0.0006","90","","94.652","0.002","90","","3059.73","0.16","200","2","200","2","","","","","","","","8","P 1 21/c 1","-P 2ybc","14","","","","- C28 H29 F3 N O6 Pt Rh S -","- C28 H27 F3 N O6 Pt Rh S -","- C112 H108 F12 N4 O24 Pt4 Rh4 S4 -","4","1","","Moussa, Jamal; Loch, Aruny; Chamoreau, Lise-Marie; Degli Esposti, Alessandra; Bandini, Elisa; Barbieri, Andrea; Amouri, Hani","Luminescent Cyclometalated Platinum Complexes with π-Bonded Catecholate Organometallic Ligands.","Inorganic chemistry","2017","56","4","2050","2059","10.1021/acs.inorgchem.6b02731","","","0.71073","MoKα","","0.0713","0.048","","","0.1207","0.1346","","","","","","1.052","","","","has coordinates","192892","2020-10-21","18:00:00",""
"4345333","18.497","0.008","8.129","0.004","19.778","0.009","90","","114.392","0.007","90","","2708","2","173","2","173","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C19 H30 B N6 O S5 Y -","- C19 H30 B N6 O S5 Y -","- C76 H120 B4 N24 O4 S20 Y4 -","4","1","","Zhang, Fangjun; Zhang, Jie; Zhou, Xigeng","Facile Construction of Yttrium Pentasulfides from Yttrium Alkyl Precursors: Synthesis, Mechanism, and Reactivity.","Inorganic chemistry","2017","56","4","2070","2077","10.1021/acs.inorgchem.6b02747","","","0.71073","MoKα","","0.1096","0.0711","","","0.2069","0.252","","","","","","1.072","","","","has coordinates,has disorder","192893","2020-10-21","18:00:00",""
"4345334","28.859","0.002","28.859","0.002","28.859","0.002","90","","90","","90","","24035","3","296","2","296","2","","","","","","","","6","P a -3","-P 2ac 2ab 3","205","","","","- C102 H130 B4 N24 S7 Y4 -","- C102 H130 B4 N24 S7 Y4 -","- C816 H1040 B32 N192 S56 Y32 -","8","0.333333","","Zhang, Fangjun; Zhang, Jie; Zhou, Xigeng","Facile Construction of Yttrium Pentasulfides from Yttrium Alkyl Precursors: Synthesis, Mechanism, and Reactivity.","Inorganic chemistry","2017","56","4","2070","2077","10.1021/acs.inorgchem.6b02747","","","0.71073","MoKα","","0.2306","0.0805","","","0.2015","0.281","","","","","","1.173","","","","has coordinates","192893","2020-10-21","18:00:00",""
"4345335","18.24","0.004","16.97","0.003","19.83","0.004","90","","110","0.03","90","","5768","2","298","2","298","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C38 H60 B2 N12 O2 S4 Y2 -","- C38 H58 B2 N12 O2 S4 Y2 -","- C152 H232 B8 N48 O8 S16 Y8 -","4","1","","Zhang, Fangjun; Zhang, Jie; Zhou, Xigeng","Facile Construction of Yttrium Pentasulfides from Yttrium Alkyl Precursors: Synthesis, Mechanism, and Reactivity.","Inorganic chemistry","2017","56","4","2070","2077","10.1021/acs.inorgchem.6b02747","","","0.71073","MoKα","","0.0981","0.0539","","","0.1223","0.1274","","","","","","1.043","","","","has coordinates","192893","2020-10-21","18:00:00",""
"4345336","19.532","0.005","6.9012","0.0017","21.047","0.005","90","","107.011","0.004","90","","2712.9","1.2","296","2","296","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C27 H36 N2 S -","- C27 H36 N2 S -","- C108 H144 N8 S4 -","4","1","","Zhang, Fangjun; Zhang, Jie; Zhou, Xigeng","Facile Construction of Yttrium Pentasulfides from Yttrium Alkyl Precursors: Synthesis, Mechanism, and Reactivity.","Inorganic chemistry","2017","56","4","2070","2077","10.1021/acs.inorgchem.6b02747","","","0.71073","MoKα","","0.1199","0.0632","","","0.1217","0.1398","","","","","","1","","","","has coordinates","192893","2020-10-21","18:00:00",""
"4345337","10.64","0.002","14.61","0.003","22.95","0.005","108.25","0.03","91.45","0.03","106.75","0.03","3218.1","1.4","293","2","293","2","","","","","","","","7","P -1","-P 1","2","","","","- C31 H42 B N6 O S Y -","- C31 H42 B N6 O S Y -","- C124 H168 B4 N24 O4 S4 Y4 -","4","2","","Zhang, Fangjun; Zhang, Jie; Zhou, Xigeng","Facile Construction of Yttrium Pentasulfides from Yttrium Alkyl Precursors: Synthesis, Mechanism, and Reactivity.","Inorganic chemistry","2017","56","4","2070","2077","10.1021/acs.inorgchem.6b02747","","","0.71073","MoKα","","0.1901","0.0998","","","0.2281","0.2664","","","","","","1.004","","","","has coordinates","192893","2020-10-21","18:00:00",""
"4345338","8.5206","0.0012","16.896","0.002","20.087","0.003","81.705","0.002","87.565","0.002","86.122","0.002","2853.4","0.7","173","2","173","2","","","","","","","","6","P -1","-P 1","2","","","","- C40 H54 B2 N12 S5 Y2 -","- C40 H54 B2 N12 S5 Y2 -","- C80 H108 B4 N24 S10 Y4 -","2","1","","Zhang, Fangjun; Zhang, Jie; Zhou, Xigeng","Facile Construction of Yttrium Pentasulfides from Yttrium Alkyl Precursors: Synthesis, Mechanism, and Reactivity.","Inorganic chemistry","2017","56","4","2070","2077","10.1021/acs.inorgchem.6b02747","","","0.71073","MoKα","","0.1239","0.0713","","","0.1995","0.2284","","","","","","0.924","","","","has coordinates,has disorder","192893","2020-10-21","18:00:00",""
"4345339","11.0487","0.0006","13.1053","0.0007","14.2827","0.0007","87.04","0.005","77.226","0.004","84.309","0.005","2006.02","0.19","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","","","- C37 H51 B2 N13 U -","- C37 H51 B2 N13 U -","- C74 H102 B4 N26 U2 -","2","1","","Tatebe, Caleb J.; Zeller, Matthias; Bart, Suzanne C.","[2π+2π] Cycloaddition of Isocyanates to Uranium(IV) Imido Complexes for the Synthesis of U(IV) κ(2)-Ureato Compounds.","Inorganic chemistry","2017","56","4","1956","1965","10.1021/acs.inorgchem.6b02547","","","1.54178","CuKα","","0.0678","0.063","","","0.177","0.1842","","","","","","1.195","","","","has coordinates","192894","2020-10-21","18:00:00",""
"4345340","12.8815","0.0005","19.283","0.0006","21.5167","0.0005","90","","95.817","0.002","90","","5317.1","0.3","100","2","100","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C55 H66 B2 N14 S U -","- C55 H66 B2 N14 S U -","- C220 H264 B8 N56 S4 U4 -","4","1","","Tatebe, Caleb J.; Zeller, Matthias; Bart, Suzanne C.","[2π+2π] Cycloaddition of Isocyanates to Uranium(IV) Imido Complexes for the Synthesis of U(IV) κ(2)-Ureato Compounds.","Inorganic chemistry","2017","56","4","1956","1965","10.1021/acs.inorgchem.6b02547","","","1.54178","CuKα","","0.0761","0.0625","","","0.1819","0.1979","","","","","","1.127","","","","has coordinates","192895","2020-10-21","18:00:00",""
"4345341","16.0622","0.0004","20.1994","0.0012","17.3817","0.0009","90","","115.484","0.003","90","","5090.8","0.4","150","2","150","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C46 H69 B2 N13 O U -","- C46 H69 B2 N13 O U -","- C184 H276 B8 N52 O4 U4 -","4","0.5","","Tatebe, Caleb J.; Zeller, Matthias; Bart, Suzanne C.","[2π+2π] Cycloaddition of Isocyanates to Uranium(IV) Imido Complexes for the Synthesis of U(IV) κ(2)-Ureato Compounds.","Inorganic chemistry","2017","56","4","1956","1965","10.1021/acs.inorgchem.6b02547","","","0.71073","MoKα","","0.0904","0.0518","","","0.1061","0.139","","","","","","1.101","","","","has coordinates,has disorder","192896","2020-10-21","18:00:00",""
"4345342","15.6729","0.0002","23.599","0.0003","18.2174","0.0002","90","","105.446","0.001","90","","6494.61","0.14","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C48 H62 In3 N3 O19 -","- C48 H62 In3 N3 O19 -","- C192 H248 In12 N12 O76 -","4","1","","Guo, Zhen-Ji; Yu, Jiamei; Zhang, Yong-Zheng; Zhang, Jian; Chen, Ya; Wu, Yufeng; Xie, Lin-Hua; Li, Jian-Rong","Water-Stable In(III)-Based Metal-Organic Frameworks with Rod-Shaped Secondary Building Units: Single-Crystal to Single-Crystal Transformation and Selective Sorption of C2H2 over CO2 and CH4.","Inorganic chemistry","2017","56","4","2188","2197","10.1021/acs.inorgchem.6b02840","","","1.54178","CuKα","","0.0524","0.0424","","","0.1272","0.1344","","","","","","1.084","","","","has coordinates,has disorder","192897","2020-10-21","18:00:00",""
"4345343","14.9833","0.0007","24.0242","0.0013","18.8749","0.0008","90","","106.381","0.005","90","","6518.4","0.6","353","2","353","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C39 H39 In3 O15 -","- C39 H39 In3 O15 -","- C156 H156 In12 O60 -","4","1","","Guo, Zhen-Ji; Yu, Jiamei; Zhang, Yong-Zheng; Zhang, Jian; Chen, Ya; Wu, Yufeng; Xie, Lin-Hua; Li, Jian-Rong","Water-Stable In(III)-Based Metal-Organic Frameworks with Rod-Shaped Secondary Building Units: Single-Crystal to Single-Crystal Transformation and Selective Sorption of C2H2 over CO2 and CH4.","Inorganic chemistry","2017","56","4","2188","2197","10.1021/acs.inorgchem.6b02840","","","1.54178","CuKα","","0.1084","0.0658","","","0.1578","0.1942","","","","","","1.009","","","","has coordinates,has disorder","192897","2020-10-21","18:00:00",""
"4345344","14.7359","0.0002","24.2569","0.0004","18.6902","0.0003","90","","104.883","0.002","90","","6456.64","0.18","353","2","353","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C36 H33 In3 O15 -","- C36 H33 In3 O15 -","- C144 H132 In12 O60 -","4","1","","Guo, Zhen-Ji; Yu, Jiamei; Zhang, Yong-Zheng; Zhang, Jian; Chen, Ya; Wu, Yufeng; Xie, Lin-Hua; Li, Jian-Rong","Water-Stable In(III)-Based Metal-Organic Frameworks with Rod-Shaped Secondary Building Units: Single-Crystal to Single-Crystal Transformation and Selective Sorption of C2H2 over CO2 and CH4.","Inorganic chemistry","2017","56","4","2188","2197","10.1021/acs.inorgchem.6b02840","","","1.54178","CuKα","","0.061","0.0459","","","0.1081","0.1156","","","","","","0.982","","","","has coordinates","192897","2020-10-21","18:00:00",""
"4345345","15.5812","0.0002","23.6815","0.0002","18.1914","0.0002","90","","106.008","0.001","90","","6452.09","0.13","293","2","293","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C36 H35 In3 O16 -","- C36 H35 In3 O16 -","- C144 H140 In12 O64 -","4","1","","Guo, Zhen-Ji; Yu, Jiamei; Zhang, Yong-Zheng; Zhang, Jian; Chen, Ya; Wu, Yufeng; Xie, Lin-Hua; Li, Jian-Rong","Water-Stable In(III)-Based Metal-Organic Frameworks with Rod-Shaped Secondary Building Units: Single-Crystal to Single-Crystal Transformation and Selective Sorption of C2H2 over CO2 and CH4.","Inorganic chemistry","2017","56","4","2188","2197","10.1021/acs.inorgchem.6b02840","","","1.54178","CuKα","","0.0521","0.0364","","","0.0911","0.0969","","","","","","0.979","","","","has coordinates","192897","2020-10-21","18:00:00",""
"4345346","15.4501","0.0002","23.7629","0.0003","18.1394","0.0003","90","","105.39","0.002","90","","6420.88","0.17","293","2","293","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C36 H30 In3 O16 -","- C36 H30 In3 O16 -","- C144 H120 In12 O64 -","4","1","","Guo, Zhen-Ji; Yu, Jiamei; Zhang, Yong-Zheng; Zhang, Jian; Chen, Ya; Wu, Yufeng; Xie, Lin-Hua; Li, Jian-Rong","Water-Stable In(III)-Based Metal-Organic Frameworks with Rod-Shaped Secondary Building Units: Single-Crystal to Single-Crystal Transformation and Selective Sorption of C2H2 over CO2 and CH4.","Inorganic chemistry","2017","56","4","2188","2197","10.1021/acs.inorgchem.6b02840","","","1.54178","CuKα","","0.0473","0.0375","","","0.0979","0.103","","","","","","1.036","","","","has coordinates","192897","2020-10-21","18:00:00",""
"4345347","15.098","0.0014","24.007","0.0014","18.821","0.0016","90","","106.368","0.009","90","","6545.3","1","353","2","353","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C39 H39 In3 O15 -","- C39 H39 In3 O15 -","- C156 H156 In12 O60 -","4","1","","Guo, Zhen-Ji; Yu, Jiamei; Zhang, Yong-Zheng; Zhang, Jian; Chen, Ya; Wu, Yufeng; Xie, Lin-Hua; Li, Jian-Rong","Water-Stable In(III)-Based Metal-Organic Frameworks with Rod-Shaped Secondary Building Units: Single-Crystal to Single-Crystal Transformation and Selective Sorption of C2H2 over CO2 and CH4.","Inorganic chemistry","2017","56","4","2188","2197","10.1021/acs.inorgchem.6b02840","","","1.54178","CuKα","","0.1983","0.1076","","","0.2854","0.3409","","","","","","1.053","","","","has coordinates,has disorder","192897","2020-10-21","18:00:00",""
"4345348","10.00478","0.00003","10.00478","0.00003","10.00478","0.00003","90","","90","","90","","1001.43","0.005","293","","293","","","","","","","","","4","P 21 3","P 2ac 2ab 3","198","Langbeinite","","","- Fe2 K2 O12 S3 -","- Fe2 K2 O12 S3 -","- Fe8 K8 O48 S12 -","4","0.333333","","Lander, Laura; Rousse, Gwenaëlle; Batuk, Dmitry; Colin, Claire V.; Dalla Corte, Daniel Alves; Tarascon, Jean-Marie","Synthesis, Structure, and Electrochemical Properties of K-Based Sulfates K2M2(SO4)3 with M = Fe and Cu.","Inorganic chemistry","2017","56","4","2013","2021","10.1021/acs.inorgchem.6b02526","powder diffraction","","1.54056","CuKα","","","","","","","","","3.4194","","","","","","","","has coordinates","192900","2020-10-21","18:00:00",""
"4345349","4.810648","0.000008","11.91795","0.00003","18.67516","0.00004","90","","90","","90","","1070.7","0.004","293","","293","","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- Cu2 K2 O12 S3 -","- Cu2 K2 O12 S3 -","- Cu8 K8 O48 S12 -","4","1","","Lander, Laura; Rousse, Gwenaëlle; Batuk, Dmitry; Colin, Claire V.; Dalla Corte, Daniel Alves; Tarascon, Jean-Marie","Synthesis, Structure, and Electrochemical Properties of K-Based Sulfates K2M2(SO4)3 with M = Fe and Cu.","Inorganic chemistry","2017","56","4","2013","2021","10.1021/acs.inorgchem.6b02526","powder diffraction","","0.4142","synchrotron","","","","","","","","","4.8369","","","","","","","","has coordinates","192902","2020-10-21","18:00:00",""
"4345350","18.6775","0.0007","14.4325","0.0005","14.8597","0.0005","90","","98.751","0.001","90","","3959","0.2","173","2","173","2","","","","","","","","6","C 1 c 1","C -2yc","9","","","","- C36 H50 B2 F10 Fe2 N8 -","- C36 H50 B2 F10 Fe2 N8 -","- C144 H200 B8 F40 Fe8 N32 -","4","1","","Dammers, Susanne; Zimmermann, Thomas Philipp; Walleck, Stephan; Stammler, Anja; Bögge, Hartmut; Bill, Eckhard; Glaser, Thorsten","A Mixed-Valence Fluorido-Bridged Fe(II)Fe(III) Complex.","Inorganic chemistry","2017","56","4","1779","1782","10.1021/acs.inorgchem.6b03093","","","0.71073","MoKα","","0.0484","0.0478","","","0.1237","0.1244","","","","","","1.126","","","","has coordinates,has disorder","192904","2020-10-21","18:00:00",""
"4345351","22.5682","0.0006","22.5682","0.0006","28.9654","0.0008","90","","90","","120","","12776.3","0.6","293","2","293","2","","","","","","","","5","P -6 2 c","P -6c -2c","190","","","","- C171 H147 N3 O66 Tb12 -","- C165 H93 O66 Tb12 -","- C330 H186 O132 Tb24 -","2","0.166667","","Li, Yun-Jian; Wang, Yu-Ling; Liu, Qing-Yan","The Highly Connected MOFs Constructed from Nonanuclear and Trinuclear Lanthanide-Carboxylate Clusters: Selective Gas Adsorption and Luminescent pH Sensing.","Inorganic chemistry","2017","56","4","2159","2164","10.1021/acs.inorgchem.6b02811","","x-ray","0.71073","MoKα","","0.0571","0.0434","","","0.1074","0.1137","","","","","","1.006","","","","has coordinates","192908","2020-10-21","18:00:00",""
"4345352","7.752","0.0004","8.79","0.0004","12.3723","0.0006","103.615","0.002","96.61","0.002","101.962","0.002","789.57","0.07","100","2","100","2","","","","","","","","6","P -1","-P 1","2","","","","- C10 H10 Co N8 O2 S2 -","- C10 H10 Co N8 O2 S2 -","- C20 H20 Co2 N16 O4 S4 -","2","1","","Bruno, Rosaria; Vallejo, Julia; Marino, Nadia; De Munno, Giovanni; Krzystek, J.; Cano, Joan; Pardo, Emilio; Armentano, Donatella","Cytosine Nucleobase Ligand: A Suitable Choice for Modulating Magnetic Anisotropy in Tetrahedrally Coordinated Mononuclear Co(II) Compounds.","Inorganic chemistry","2017","56","4","1857","1864","10.1021/acs.inorgchem.6b02448","","","0.71073","MoKα","","0.033","0.0282","","","0.0846","0.0894","","","","","","1.57","","","","has coordinates","192913","2020-10-21","18:00:00",""
"4345353","6.082","0.0005","10.5091","0.0008","13.628","0.001","72.398","0.007","88.98","0.006","89.043","0.006","830.08","0.12","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C9 H13 N3 O11 Pr -","- C9 H3 N3 O11 Pr -","- C18 H6 N6 O22 Pr2 -","2","1","","Marinho, Maria Vanda; Reis, Daniella O.; Oliveira, Willian X. C.; Marques, Lippy F.; Stumpf, Humberto O.; Déniz, Mariadel; Pasán, Jorge; Ruiz-Pérez, Catalina; Cano, Joan; Lloret, Francesc; Julve, Miguel","Photoluminescent and Slow Magnetic Relaxation Studies on Lanthanide(III)-2,5-pyrazinedicarboxylate Frameworks.","Inorganic chemistry","2017","56","4","2108","2123","10.1021/acs.inorgchem.6b02774","","","1.5418","CuKα","","0.0382","0.0372","","","0.1013","0.1029","","","","","","1.096","","","","has coordinates","192917","2020-10-21","18:00:00",""
"4345354","6.0736","0.0002","10.4912","0.0003","13.579","0.0004","72.133","0.003","89.023","0.003","89.009","0.003","823.33","0.05","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C9 H13 N3 Nd O11 -","- C9 H3 N3 Nd O11 -","- C18 H6 N6 Nd2 O22 -","2","1","","Marinho, Maria Vanda; Reis, Daniella O.; Oliveira, Willian X. C.; Marques, Lippy F.; Stumpf, Humberto O.; Déniz, Mariadel; Pasán, Jorge; Ruiz-Pérez, Catalina; Cano, Joan; Lloret, Francesc; Julve, Miguel","Photoluminescent and Slow Magnetic Relaxation Studies on Lanthanide(III)-2,5-pyrazinedicarboxylate Frameworks.","Inorganic chemistry","2017","56","4","2108","2123","10.1021/acs.inorgchem.6b02774","","","1.5418","CuKα","","0.0286","0.0283","","","0.079","0.0792","","","","","","1.109","","","","has coordinates","192919","2020-10-21","18:00:00",""
"4345355","13.6137","0.0007","13.8836","0.0008","22.9276","0.0013","89.906","0.003","78.356","0.002","61.451","0.002","3705.5","0.4","200","2","200","2","","","","","","","","5","P -1","-P 1","2","","","","- As4 Co4 Na16 O169 W30 -","- As4 Co4 Na16 O169 W30 -","- As4 Co4 Na16 O169 W30 -","1","0.5","","Ayingone Mezui, Charyle S.; de Oliveira, Pedro; Teillout, Anne-Lucie; Marrot, Jérôme; Berthet, Patrick; Lebrini, Mounim; Mbomekallé, Israël M","Synthesis, Structure, and Magnetic Electrochemical Properties of a Family of Tungstoarsenates Containing Just Co(II) Centers or Both Co(II) and Fe(III) Centers.","Inorganic chemistry","2017","56","4","1999","2012","10.1021/acs.inorgchem.6b02593","","","0.71073","MoKα","","0.0477","0.0432","","","0.1358","0.1402","","","","","","1.053","","","","has coordinates","192923","2020-10-21","18:00:00",""
"4345356","31.159","0.006","22.308","0.004","34.068","0.007","90","","106.17","0.002","90","","22744","8","173","","173","","","","","","","","","9","P 1 21/n 1","-P 2yn","14","","","","- C220 H196 Au21.23 Cl2 Cu3.77 F12 P10 S5 Sb2 -","- C220 H196 Au21.228 Cl2 Cu3.772 F12 P10 S5 Sb2 -","- C880 H784 Au84.912 Cl8 Cu15.088 F48 P40 S20 Sb8 -","4","1","","Yang, Sha; Chai, Jinsong; Chen, Tao; Rao, Bo; Pan, Yiting; Yu, Haizhu; Zhu, Manzhou","Crystal Structures of Two New Gold-Copper Bimetallic Nanoclusters: CuxAu25-x(PPh3)10(PhC2H4S)5Cl2(2+) and Cu3Au34(PPh3)13((t)BuPhCH2S)6S2(3).","Inorganic chemistry","2017","56","4","1771","1774","10.1021/acs.inorgchem.6b02016","","","0.71073","MoKα","","0.1966","0.0855","","","0.1824","0.214","","","","","","0.982","","","","has coordinates,has disorder","192924","2020-10-21","18:00:00",""
"4345357","15.4512","0.0018","23.102","0.003","24.516","0.003","78.394","0.003","81.559","0.004","77.193","0.004","8310.9","1.8","100","2","100","2","","","","","","","","6","P -1","-P 1","2","","","","- C194 H413 Fe18 Gd6 N43 O106 -","- C194 H393 Fe18 Gd6 N43 O106 -","- C194 H393 Fe18 Gd6 N43 O106 -","1","0.5","","Botezat, Olga; van Leusen, Jan; Kravtsov, Victor Ch; Kögerler, Paul; Baca, Svetlana G.","Ultralarge 3d/4f Coordination Wheels: From Carboxylate/Amino Alcohol-Supported {Fe4Ln2} to {Fe18Ln6} Rings.","Inorganic chemistry","2017","56","4","1814","1822","10.1021/acs.inorgchem.6b02100","","","0.71073","MoKα","","0.1773","0.0834","","","0.2276","0.2829","","","","","","1.008","","","","has coordinates,has disorder","192925","2020-10-21","18:00:00",""
"4345358","15.7331","0.0006","22.8661","0.0008","24.5683","0.0009","78.169","0.001","81.104","0.001","78.161","0.001","8408.1","0.5","100","2","100","2","","","","","","","","6","P -1","-P 1","2","","","","- C206 H444 Fe18 N45 O110.5 Tb6 -","- C206 H423 Fe18 N45 O110.5 Tb6 -","- C206 H423 Fe18 N45 O110.5 Tb6 -","1","0.5","","Botezat, Olga; van Leusen, Jan; Kravtsov, Victor Ch; Kögerler, Paul; Baca, Svetlana G.","Ultralarge 3d/4f Coordination Wheels: From Carboxylate/Amino Alcohol-Supported {Fe4Ln2} to {Fe18Ln6} Rings.","Inorganic chemistry","2017","56","4","1814","1822","10.1021/acs.inorgchem.6b02100","","","0.71073","MoKα","","0.095","0.0579","","","0.1463","0.171","","","","","","1.015","","","","has coordinates,has disorder","192926","2020-10-21","18:00:00",""
"4345359","10.2724","0.0018","18.155","0.003","22.01","0.004","90","","101.291","0.003","90","","4025.3","1.2","100","2","100","2","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C50 H104 Cl4 Er2 Fe4 N22 O22 -","- C50 H104 Cl4 Er2 Fe4 N22 O22 -","- C100 H208 Cl8 Er4 Fe8 N44 O44 -","2","0.5","","Botezat, Olga; van Leusen, Jan; Kravtsov, Victor Ch; Kögerler, Paul; Baca, Svetlana G.","Ultralarge 3d/4f Coordination Wheels: From Carboxylate/Amino Alcohol-Supported {Fe4Ln2} to {Fe18Ln6} Rings.","Inorganic chemistry","2017","56","4","1814","1822","10.1021/acs.inorgchem.6b02100","","","0.71073","MoKα","","0.101","0.0761","","","0.1627","0.1734","","","","","","1.209","","","","has coordinates","192927","2020-10-21","18:00:00",""
"4345360","12.3487","0.0012","13.8221","0.0014","13.9621","0.0014","116.25","0.002","98.102","0.002","101.251","0.002","2025.1","0.4","100","2","100","2","","","","","","","","6","P -1","-P 1","2","","","","- C58 H118 Fe4 Ho2 N16 O26 -","- C58 H118 Fe4 Ho2 N16 O26 -","- C58 H118 Fe4 Ho2 N16 O26 -","1","0.5","","Botezat, Olga; van Leusen, Jan; Kravtsov, Victor Ch; Kögerler, Paul; Baca, Svetlana G.","Ultralarge 3d/4f Coordination Wheels: From Carboxylate/Amino Alcohol-Supported {Fe4Ln2} to {Fe18Ln6} Rings.","Inorganic chemistry","2017","56","4","1814","1822","10.1021/acs.inorgchem.6b02100","","","0.71073","MoKα","","0.0486","0.0413","","","0.0949","0.1001","","","","","","1.09","","","","has coordinates,has disorder","192928","2020-10-21","18:00:00",""
"4345361","15.699","0.004","22.827","0.006","24.502","0.007","78.73","0.005","81.15","0.005","78.123","0.005","8368","4","100","2","100","2","","","","","","","","6","P -1","-P 1","2","","","","- C197 H427 Fe18 Ho6 N43 O110 -","- C197 H405 Fe18 Ho6 N43 O110 -","- C197 H405 Fe18 Ho6 N43 O110 -","1","0.5","","Botezat, Olga; van Leusen, Jan; Kravtsov, Victor Ch; Kögerler, Paul; Baca, Svetlana G.","Ultralarge 3d/4f Coordination Wheels: From Carboxylate/Amino Alcohol-Supported {Fe4Ln2} to {Fe18Ln6} Rings.","Inorganic chemistry","2017","56","4","1814","1822","10.1021/acs.inorgchem.6b02100","","","0.71073","MoKα","","0.1172","0.083","","","0.2231","0.2577","","","","","","1.004","","","","has coordinates,has disorder","192929","2020-10-21","18:00:00",""
"4345362","12.343","0.007","14.249","0.008","14.469","0.008","117.314","0.008","101.602","0.009","96.385","0.009","2153","2","100","2","100","2","","","","","","","","7","P -1","-P 1","2","","","","- C56 H110 Cl4 Er2 Fe4 N16 O24 -","- C56 H110 Cl4 Er2 Fe4 N16 O24 -","- C56 H110 Cl4 Er2 Fe4 N16 O24 -","1","0.5","","Botezat, Olga; van Leusen, Jan; Kravtsov, Victor Ch; Kögerler, Paul; Baca, Svetlana G.","Ultralarge 3d/4f Coordination Wheels: From Carboxylate/Amino Alcohol-Supported {Fe4Ln2} to {Fe18Ln6} Rings.","Inorganic chemistry","2017","56","4","1814","1822","10.1021/acs.inorgchem.6b02100","","","0.71073","MoKα","","0.0675","0.0548","","","0.1321","0.1411","","","","","","0.991","","","","has coordinates,has disorder","192930","2020-10-21","18:00:00",""
"4345363","12.402","0.003","13.8712","0.0017","14.006","0.0017","116.359","0.002","97.806","0.002","101.11","0.002","2050.2","0.6","100","2","100","2","","","","","","","","6","P -1","-P 1","2","","","","- C58 H118 Dy2 Fe4 N16 O26 -","- C58 H118 Dy2 Fe4 N16 O26 -","- C58 H118 Dy2 Fe4 N16 O26 -","1","0.5","","Botezat, Olga; van Leusen, Jan; Kravtsov, Victor Ch; Kögerler, Paul; Baca, Svetlana G.","Ultralarge 3d/4f Coordination Wheels: From Carboxylate/Amino Alcohol-Supported {Fe4Ln2} to {Fe18Ln6} Rings.","Inorganic chemistry","2017","56","4","1814","1822","10.1021/acs.inorgchem.6b02100","","","0.71073","MoKα","","0.0635","0.0578","","","0.1207","0.123","","","","","","1.172","","","","has coordinates,has disorder","192931","2020-10-21","18:00:00",""
"4345364","15.4184","0.0006","23.1345","0.0009","24.3653","0.001","78.522","0.001","82.093","0.001","76.833","0.001","8254.5","0.6","100","2","100","2","","","","","","","","6","P -1","-P 1","2","","","","- C201 H432 Eu6 Fe18 N44 O109 -","- C201 H416 Eu6 Fe18 N44 O108.998 -","- C201 H416 Eu6 Fe18 N44 O108.998 -","1","0.5","","Botezat, Olga; van Leusen, Jan; Kravtsov, Victor Ch; Kögerler, Paul; Baca, Svetlana G.","Ultralarge 3d/4f Coordination Wheels: From Carboxylate/Amino Alcohol-Supported {Fe4Ln2} to {Fe18Ln6} Rings.","Inorganic chemistry","2017","56","4","1814","1822","10.1021/acs.inorgchem.6b02100","","","0.71073","MoKα","","0.0945","0.0598","","","0.1543","0.1839","","","","","","1.008","","","","has coordinates,has disorder","192932","2020-10-21","18:00:00",""
"4345365","31.882","0.004","17.584","0.002","31.647","0.004","90","","111.001","0.0015","90","","16563","4","100","2","100","2","","","","","","","","6","P 1 2/c 1","-P 2yc","13","LiNaU20P6","U-P cluster","","- Li Na18 O162 P6 S U20 -","- Li Na18 O162 P6 S U20 -","- Li4 Na72 O648 P24 S4 U80 -","4","1","","Qiu, Jie; Spano, Tyler L.; Dembowski, Mateusz; Kokot, Alex M.; Szymanowski, Jennifer E. S.; Burns, Peter C.","Sulfate-Centered Sodium-Icosahedron-Templated Uranyl Peroxide Phosphate Cages with Uranyl Bridged by μ-η(1):η(2) Peroxide.","Inorganic chemistry","2017","56","4","1874","1880","10.1021/acs.inorgchem.6b02429","","","0.71073","MoKα","","0.0941","0.0637","","","0.1576","0.1797","","","","","","0.938","","","","has coordinates","192933","2020-10-21","18:00:00",""
"4345366","17.839","0.003","18.37","0.003","27.655","0.004","90","","91.9724","0.0017","90","","9057","2","100","2","100","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","LiNaU20P12","U-P cluster","","- Li6 Na18 O188 P12 S U20 -","- Li6 Na18 O188 P12 S U20 -","- Li12 Na36 O376 P24 S2 U40 -","2","0.5","","Qiu, Jie; Spano, Tyler L.; Dembowski, Mateusz; Kokot, Alex M.; Szymanowski, Jennifer E. S.; Burns, Peter C.","Sulfate-Centered Sodium-Icosahedron-Templated Uranyl Peroxide Phosphate Cages with Uranyl Bridged by μ-η(1):η(2) Peroxide.","Inorganic chemistry","2017","56","4","1874","1880","10.1021/acs.inorgchem.6b02429","","","0.71073","MoKα","","0.0723","0.0481","","","0.1218","0.1364","","","","","","0.945","","","","has coordinates","192933","2020-10-21","18:00:00",""
"4345367","7.3742","0.0008","7.6229","0.0009","7.6438","0.0008","75.154","0.019","75.92","0.03","84.21","0.03","402.52","0.1","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- Cu7 H6 O20 S2 Te2 -","- Cu7 H6 O20 S2 Te2 -","- Cu7 H6 O20 S2 Te2 -","1","0.5","","Guo, Wen-Bin; Tang, Ying-Ying; Wang, Junfeng; He, Zhangzhen","Layered Cu7(TeO3)2(SO4)2(OH)6 with Diluted Kagomé Net Containing Frustrated Corner-Sharing Triangles.","Inorganic chemistry","2017","56","4","1830","1834","10.1021/acs.inorgchem.6b02209","","","0.71073","MoKα","","0.0399","0.0354","","","0.0821","0.0838","","","","","","1.163","","","","has coordinates,has disorder","192934","2020-10-21","18:00:00",""
"4345368","45.529","0.008","9.8536","0.0014","24.146","0.004","90","","120.826","0.002","90","","9302","3","163","2","163","2","","","","","","","","7","C 1 2/c 1","-C 2yc","15","","","","- C43.1 H39.05 F12 N6.55 O1.7 P2 Ru -","- C43.1 H37.65 F12 N6.55 O1.7 P2 Ru -","- C344.8 H301.2 F96 N52.4 O13.6 P16 Ru8 -","8","1","","Zhang, Yangyang; Zhou, Qianxiong; Tian, Na; Li, Chao; Wang, Xuesong","Ru(II)-Complex-Based DNA Photocleaver Having Intense Absorption in the Phototherapeutic Window.","Inorganic chemistry","2017","56","4","1865","1873","10.1021/acs.inorgchem.6b02459","","","0.71073","MoKα","","0.0747","0.0663","","","0.1732","0.1813","","","","","","0.999","","","","has coordinates,has disorder","198632","2020-10-21","18:00:00",""
"4345369","9.6921","0.0003","8.4322","0.0003","4.7188","0.0002","90","","90","","90","","385.65","0.02","150","0.1","150","0.1","","","","","","","","2","P n m a","-P 2ac 2n","62","molydenum(IV) oxide - Hp","molybdenum dioxide","","- Mo O2 -","- Mo O2 -","- Mo12 O24 -","12","1.5","","Lüdtke, Tobias; Wiedemann, Dennis; Efthimiopoulos, Ilias; Becker, Nils; Seidel, Stefan; Janka, Oliver; Pöttgen, Rainer; Dronskowski, Richard; Koch-Müller, Monika; Lerch, Martin","HP-MoO2: A High-Pressure Polymorph of Molybdenum Dioxide.","Inorganic chemistry","2017","56","4","2321","2327","10.1021/acs.inorgchem.6b03067","","x-ray","1.54184","CuKα","","0.0271","0.0267","","","0.07","0.0708","","","","","","1.157","","","","has coordinates","192936","2020-10-21","18:00:00",""
"4345370","14.559","0.002","14.556","0.002","19.3","0.003","86.749","0.007","86.736","0.007","61.901","0.006","3600.1","0.9","120","2","120","2","","","","","","","","6","P -1","-P 1","2","Sc2C2@C74/NiOEP/1.69(bz)/0.31(CF)","","","- C122.3 H54.3 Cl N4 Ni Sc2 -","- C122.445 H54.445 Cl0.933 N4 Ni Sc1.744 -","- C244.89 H108.89 Cl1.866 N8 Ni2 Sc3.488 -","2","1","","Wang, Yaofeng; Tang, Qiangqiang; Feng, Lai; Chen, Ning","Sc2C2@D3h(14246)-C74: A Missing Piece of the Clusterfullerene Puzzle.","Inorganic chemistry","2017","56","4","1974","1980","10.1021/acs.inorgchem.6b02512","","","0.71073","MoKα","","0.1242","0.0976","","","0.2652","0.2895","","","","","","1.026","","","","has coordinates,has disorder","192937","2020-10-21","18:00:00",""
"4345371","6.331","0.006","15.802","0.006","15.896","0.009","113.361","0.006","94.325","0.004","97.777","0.01","1431.8","1.7","200","2","200","2","","","","","","","","4","P -1","-P 1","2","Gross71 (Susovan)","","","- C74 H18 F30 N8 -","- C74 H18 F30 N8 -","- C74 H18 F30 N8 -","1","0.5","","Bhowmik, Susovan; Kosa, Monica; Mizrahi, Amir; Fridman, Natalia; Saphier, Magal; Stanger, Amnon; Gross, Zeev","The Planar Cyclooctatetraene Bridge in Bis-Metallic Macrocycles: Isolating or Conjugating?","Inorganic chemistry","2017","56","4","2287","2296","10.1021/acs.inorgchem.6b02944","","","0.71073","MoKα","","0.1011","0.0673","","","0.175","0.1955","","","","","","1.045","","","","has coordinates","192938","2020-10-21","18:00:00",""
"4345372","9.22","0.03","15.59","0.06","20.27","0.04","96.33","0.05","98.49","0.03","90.73","0.12","2863","16","200","2","200","2","","","","","","","","5","P -1","-P 1","2","Gross73 (Susovan)","","","- C134 H72 F30 Ga2 N20 -","- C134 H72 F30 Ga2 N20 -","- C134 H72 F30 Ga2 N20 -","1","0.5","","Bhowmik, Susovan; Kosa, Monica; Mizrahi, Amir; Fridman, Natalia; Saphier, Magal; Stanger, Amnon; Gross, Zeev","The Planar Cyclooctatetraene Bridge in Bis-Metallic Macrocycles: Isolating or Conjugating?","Inorganic chemistry","2017","56","4","2287","2296","10.1021/acs.inorgchem.6b02944","","","0.71073","MoKα","","0.0791","0.0634","","","0.1632","0.1714","","","","","","1.074","","","","has coordinates","192939","2020-10-21","18:00:00",""
"4345373","17.516","0.011","10.025","0.016","25.875","0.015","90","","123.847","0.013","90","","3774","7","200","2","200","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","Gross72 (Susovan)","","","- C86 H22 Cl4 F30 Ga2 N10 -","- C86 H22 Cl4 F30 Ga2 N10 -","- C172 H44 Cl8 F60 Ga4 N20 -","2","0.5","","Bhowmik, Susovan; Kosa, Monica; Mizrahi, Amir; Fridman, Natalia; Saphier, Magal; Stanger, Amnon; Gross, Zeev","The Planar Cyclooctatetraene Bridge in Bis-Metallic Macrocycles: Isolating or Conjugating?","Inorganic chemistry","2017","56","4","2287","2296","10.1021/acs.inorgchem.6b02944","","","0.71073","MoKα","","0.067","0.053","","","0.1351","0.1426","","","","","","1.059","","","","has coordinates","192940","2020-10-21","18:00:00",""
"4345374","22.272","0.0016","13.6343","0.0009","19.8421","0.0015","90","","111.712","0.003","90","","5597.8","0.7","133","2","133","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C18.5 H27 I4 N3 Si2 -","- C18.5 H27 I4 N3 Si2 -","- C148 H216 I32 N24 Si16 -","8","2","","Shan, Yu-Liang; Leong, Bi-Xiang; Li, Yongxin; Ganguly, Rakesh; So, Cheuk-Wai","Donor-Acceptor Stabilized Tetra(silanimine).","Inorganic chemistry","2017","56","3","1609","1615","10.1021/acs.inorgchem.6b02727","","","0.71073","MoKα","","0.1616","0.0733","","","0.1215","0.1463","","","","","","1.015","","","","has coordinates","192941","2020-10-21","18:00:00",""
"4345375","18.7105","0.0007","21.6514","0.0007","16.3484","0.0006","90","","108.816","0.0016","90","","6268.9","0.4","103","2","103","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C21 H41 Cl4 Ge N3 Si3 -","- C21 H41 Cl4 Ge N3 Si3 -","- C168 H328 Cl32 Ge8 N24 Si24 -","8","2","","Shan, Yu-Liang; Leong, Bi-Xiang; Li, Yongxin; Ganguly, Rakesh; So, Cheuk-Wai","Donor-Acceptor Stabilized Tetra(silanimine).","Inorganic chemistry","2017","56","3","1609","1615","10.1021/acs.inorgchem.6b02727","","","0.71073","MoKα","","0.0927","0.0531","","","0.1178","0.1382","","","","","","1.02","","","","has coordinates","192941","2020-10-21","18:00:00",""
"4345376","16.9206","0.0008","8.268","0.0004","18.3628","0.0009","90","","106.236","0.003","90","","2466.5","0.2","103","2","103","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C18 H32 Cl3 Ge N3 Si2 -","- C18 H32 Cl3 Ge N3 Si2 -","- C72 H128 Cl12 Ge4 N12 Si8 -","4","1","","Shan, Yu-Liang; Leong, Bi-Xiang; Li, Yongxin; Ganguly, Rakesh; So, Cheuk-Wai","Donor-Acceptor Stabilized Tetra(silanimine).","Inorganic chemistry","2017","56","3","1609","1615","10.1021/acs.inorgchem.6b02727","","","0.71073","MoKα","","0.0958","0.0508","","","0.1041","0.1198","","","","","","1.016","","","","has coordinates","192941","2020-10-21","18:00:00",""
"4345377","9.8329","0.0003","12.8786","0.0004","17.776","0.0006","107.494","0.0017","103.893","0.0018","97.4533","0.0018","2033.97","0.12","103","2","103","2","","","","","","","","5","P -1","-P 1","2","","","","- C33.5 H53 I3 N4 Si3 -","- C33.5 H53 I3 N4 Si3 -","- C67 H106 I6 N8 Si6 -","2","1","","Shan, Yu-Liang; Leong, Bi-Xiang; Li, Yongxin; Ganguly, Rakesh; So, Cheuk-Wai","Donor-Acceptor Stabilized Tetra(silanimine).","Inorganic chemistry","2017","56","3","1609","1615","10.1021/acs.inorgchem.6b02727","","","0.71073","MoKα","","0.0659","0.0377","","","0.0621","0.0704","","","","","","1.023","","","","has coordinates,has disorder","192941","2020-10-21","18:00:00",""
"4345378","19.722","0.004","13.144","0.003","30.205","0.006","90","","100.459","0.004","90","","7700","3","103","2","103","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C74 H114 N8 Si6 -","- C74 H114 N8 Si6 -","- C296 H456 N32 Si24 -","4","0.5","","Shan, Yu-Liang; Leong, Bi-Xiang; Li, Yongxin; Ganguly, Rakesh; So, Cheuk-Wai","Donor-Acceptor Stabilized Tetra(silanimine).","Inorganic chemistry","2017","56","3","1609","1615","10.1021/acs.inorgchem.6b02727","","","0.71073","MoKα","","0.1436","0.1072","","","0.2387","0.2561","","","","","","1.189","","","","has coordinates,has disorder","192941","2020-10-21","18:00:00",""
"4345379","7.1295","0.0014","7.1295","0.0014","22.1","0.005","90","","90","","120","","972.8","0.3","103","2","103","2","","","","","","","","2","R -3 :H","-R 3","148","","","","- I6 Si2 -","- I6 Si2 -","- I18 Si6 -","3","0.166667","","Shan, Yu-Liang; Leong, Bi-Xiang; Li, Yongxin; Ganguly, Rakesh; So, Cheuk-Wai","Donor-Acceptor Stabilized Tetra(silanimine).","Inorganic chemistry","2017","56","3","1609","1615","10.1021/acs.inorgchem.6b02727","","","0.71073","MoKα","","0.0475","0.0324","","","0.0731","0.0796","","","","","","1.054","","","","has coordinates","273129","2022-02-23","10:11:35",""
"4345380","21.7272","0.0009","23.2244","0.0013","27.1406","0.0013","92.025","0.004","111.781","0.004","102.79","0.004","12297.1","1.1","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","","","- C224 H300 O58 Sm4 Ti5 -","- C193 H232 O46 Sm4 Ti5 -","- C386 H464 O92 Sm8 Ti10 -","2","1","","Lu, Dong-Fei; Kong, Xiang-Jian; Lu, Tong-Bu; Long, La-Sheng; Zheng, Lan-Sun","Heterometallic Lanthanide-Titanium Oxo Clusters: A New Family of Water Oxidation Catalysts.","Inorganic chemistry","2017","56","3","1057","1060","10.1021/acs.inorgchem.6b03072","","","1.54184","CuKα","","0.2894","0.1625","","","0.3723","0.4386","","","","","","0.969","","","","has coordinates","192942","2020-10-21","18:00:00",""
"4345381","21.8259","0.0013","23.3549","0.0012","27.2071","0.0014","91.254","0.004","112.269","0.006","103.683","0.005","12373.7","1.3","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","","","- C224 H300 Eu4 O58 Ti5 -","- C204 H246 Eu4 O48 Ti5 -","- C408 H492 Eu8 O96 Ti10 -","2","1","","Lu, Dong-Fei; Kong, Xiang-Jian; Lu, Tong-Bu; Long, La-Sheng; Zheng, Lan-Sun","Heterometallic Lanthanide-Titanium Oxo Clusters: A New Family of Water Oxidation Catalysts.","Inorganic chemistry","2017","56","3","1057","1060","10.1021/acs.inorgchem.6b03072","","","1.54184","CuKα","","0.1818","0.1367","","","0.3486","0.3975","","","","","","1.083","","","","has coordinates","192943","2020-10-21","18:00:00",""
"4345382","21.7883","0.0009","23.4738","0.0011","27.2517","0.0009","91.204","0.003","112.068","0.004","104.052","0.004","12432.3","1","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","","","- C224 H300 Gd4 O58 Ti5 -","- C193 H232 Gd4 O46 Ti5 -","- C386 H464 Gd8 O92 Ti10 -","2","1","","Lu, Dong-Fei; Kong, Xiang-Jian; Lu, Tong-Bu; Long, La-Sheng; Zheng, Lan-Sun","Heterometallic Lanthanide-Titanium Oxo Clusters: A New Family of Water Oxidation Catalysts.","Inorganic chemistry","2017","56","3","1057","1060","10.1021/acs.inorgchem.6b03072","","","1.54184","CuKα","","0.2525","0.1459","","","0.35","0.4044","","","","","","1.04","","","","has coordinates","192944","2020-10-21","18:00:00",""
"4345383","17.5691","0.0014","17.5691","0.0014","23.399","0.004","90","","90","","90","","7222.6","1.5","296","2","296","2","","","","","","","","3","I 41/a c d :2","-I 4bd 2c","142","","","","- Mg Sb11 Sr14 -","- Mg Sb11 Sr14 -","- Mg8 Sb88 Sr112 -","8","0.25","","Tan, Wen-Jie; Liu, Yin-Tu; Zhu, Min; Zhu, Tie-Jun; Zhao, Xin-Bing; Tao, Xu-Tang; Xia, Sheng-Qing","Structure, Magnetism, and Thermoelectric Properties of Magnesium-Containing Antimonide Zintl Phases Sr14MgSb11 and Eu14MgSb11.","Inorganic chemistry","2017","56","3","1646","1654","10.1021/acs.inorgchem.6b02724","","","0.71073","MoKα","","0.0615","0.0354","","","0.0646","0.0721","","","","","","1.061","","","","has coordinates","192945","2020-10-21","18:00:00",""
"4345384","17.3442","0.0011","17.3442","0.0011","22.981","0.003","90","","90","","90","","6913.2","1.1","296","2","296","2","","","","","","","","3","I 41/a c d :2","-I 4bd 2c","142","","","","- Eu14 Mg Sb11 -","- Eu14 Mg Sb11 -","- Eu112 Mg8 Sb88 -","8","0.25","","Tan, Wen-Jie; Liu, Yin-Tu; Zhu, Min; Zhu, Tie-Jun; Zhao, Xin-Bing; Tao, Xu-Tang; Xia, Sheng-Qing","Structure, Magnetism, and Thermoelectric Properties of Magnesium-Containing Antimonide Zintl Phases Sr14MgSb11 and Eu14MgSb11.","Inorganic chemistry","2017","56","3","1646","1654","10.1021/acs.inorgchem.6b02724","","","0.71073","MoKα","","0.0654","0.0357","","","0.0615","0.0706","","","","","","1.008","","","","has coordinates","192946","2020-10-21","18:00:00",""
"4345385","14.3893","0.0007","14.7147","0.0007","15.3534","0.0008","98.306","0.001","93.876","0.001","96.296","0.001","3185.8","0.3","296","2","296.15","","","","","","","","","5","P -1","-P 1","2","","","","- C28 H26 O49 P8 U5 -","- C28 H26 O49 P8 U5 -","- C56 H52 O98 P16 U10 -","2","1","","Liu, Chao; Yang, Weiting; Qu, Ning; Li, Lei-Jiao; Pan, Qing-Jiang; Sun, Zhong-Ming","Construction of Uranyl Organic Hybrids by Phosphonate and in Situ Generated Carboxyphosphonate Ligands.","Inorganic chemistry","2017","56","3","1669","1678","10.1021/acs.inorgchem.6b02765","","","0.71073","MoKα","","0.0644","0.0494","","","0.1325","0.146","","","","","","1.063","","","","has coordinates","192947","2020-10-21","18:00:00",""
"4345386","14.8008","0.0009","12.2543","0.0007","30.2243","0.0019","90","","90.991","0.001","90","","5481.1","0.6","296","2","296.15","","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C38 H33 N4 O24 P4 U3 -","- C38 H28 N4 O25 P4 U3 -","- C152 H112 N16 O100 P16 U12 -","4","1","","Liu, Chao; Yang, Weiting; Qu, Ning; Li, Lei-Jiao; Pan, Qing-Jiang; Sun, Zhong-Ming","Construction of Uranyl Organic Hybrids by Phosphonate and in Situ Generated Carboxyphosphonate Ligands.","Inorganic chemistry","2017","56","3","1669","1678","10.1021/acs.inorgchem.6b02765","","","0.71073","MoKα","","0.0855","0.0633","","","0.1651","0.1809","","","","","","1.074","","","","has coordinates,has disorder","192947","2020-10-21","18:00:00",""
"4345387","11.9899","0.0006","17.4465","0.0009","17.2385","0.0009","90","","96.636","0.001","90","","3581.8","0.3","200","","200","","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C24 H24 N2 O19 P4 U3 -","- C24 H24 N2 O19 P4 U3 -","- C96 H96 N8 O76 P16 U12 -","4","1","","Liu, Chao; Yang, Weiting; Qu, Ning; Li, Lei-Jiao; Pan, Qing-Jiang; Sun, Zhong-Ming","Construction of Uranyl Organic Hybrids by Phosphonate and in Situ Generated Carboxyphosphonate Ligands.","Inorganic chemistry","2017","56","3","1669","1678","10.1021/acs.inorgchem.6b02765","","","0.71073","MoKα","","0.0712","0.0513","","","0.1268","0.139","","","","","","1.025","","","","has coordinates","192947","2020-10-21","18:00:00",""
"4345388","14.2844","0.0007","9.7642","0.0005","14.5701","0.0007","90","","93.725","0.001","90","","2027.88","0.17","200","","200","","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C17 H14 N2 O8 P2 U Zn -","- C17 H14 N2 O8 P2 U Zn -","- C68 H56 N8 O32 P8 U4 Zn4 -","4","1","","Liu, Chao; Yang, Weiting; Qu, Ning; Li, Lei-Jiao; Pan, Qing-Jiang; Sun, Zhong-Ming","Construction of Uranyl Organic Hybrids by Phosphonate and in Situ Generated Carboxyphosphonate Ligands.","Inorganic chemistry","2017","56","3","1669","1678","10.1021/acs.inorgchem.6b02765","","","0.71073","MoKα","","0.0276","0.023","","","0.0523","0.0541","","","","","","1.029","","","","has coordinates","192947","2020-10-21","18:00:00",""
"4345389","10.689","0.002","10.786","0.002","18.73","0.004","90","","94.02","0.004","90","","2154.1","0.7","200","","200","","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C17 H15 Co N2 O8.5 P2 U -","- C17 H15 Co N2 O8.5 P2 U -","- C68 H60 Co4 N8 O34 P8 U4 -","4","1","","Liu, Chao; Yang, Weiting; Qu, Ning; Li, Lei-Jiao; Pan, Qing-Jiang; Sun, Zhong-Ming","Construction of Uranyl Organic Hybrids by Phosphonate and in Situ Generated Carboxyphosphonate Ligands.","Inorganic chemistry","2017","56","3","1669","1678","10.1021/acs.inorgchem.6b02765","","","0.71073","MoKα","","0.0452","0.0326","","","0.0714","0.0765","","","","","","1.013","","","","has coordinates,has disorder","192947","2020-10-21","18:00:00",""
"4345390","12.9359","0.0004","14.6473","0.0004","18.4054","0.0007","90","","110.823","0.001","90","","3259.6","0.18","150","","150","","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C32 H30 Cu N5 O11 Tb -","- C32 H30 Cu N5 O11 Tb -","- C128 H120 Cu4 N20 O44 Tb4 -","4","1","","Ueno, Takahiro; Fujinami, Takeshi; Matsumoto, Naohide; Furusawa, Masaki; Irie, Ryo; Re, Nazzareno; Kanetomo, Takuya; Ishida, Takayuki; Sunatsuki, Yukinari","Circular and Chainlike Copper(II)-Lanthanide(III) Complexes Generated by Assembly Reactions of Racemic and Chiral Copper(II) Cross-Linking Ligand Complexes with Ln(III)(NO3)3·6H2O (Ln(III) = Gd(III), Tb(III), Dy(III)).","Inorganic chemistry","2017","56","3","1679","1695","10.1021/acs.inorgchem.6b02668","","","0.71075","MoKα","","","0.0222","","","","0.0248","","","","","","1.28","","","","has coordinates","192948","2020-10-21","18:00:00",""
"4345391","13.1609","0.0004","16.3506","0.0004","16.2739","0.0005","90","","106.64","0.001","90","","3355.31","0.17","150","","150","","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C32 H28 Cu Dy N5 O10 -","- C32 H28 Cu Dy N5 O10 -","- C128 H112 Cu4 Dy4 N20 O40 -","4","1","","Ueno, Takahiro; Fujinami, Takeshi; Matsumoto, Naohide; Furusawa, Masaki; Irie, Ryo; Re, Nazzareno; Kanetomo, Takuya; Ishida, Takayuki; Sunatsuki, Yukinari","Circular and Chainlike Copper(II)-Lanthanide(III) Complexes Generated by Assembly Reactions of Racemic and Chiral Copper(II) Cross-Linking Ligand Complexes with Ln(III)(NO3)3·6H2O (Ln(III) = Gd(III), Tb(III), Dy(III)).","Inorganic chemistry","2017","56","3","1679","1695","10.1021/acs.inorgchem.6b02668","","","0.71075","MoKα","","","0.0337","","","","0.0389","","","","","","1.248","","","","has coordinates","192949","2020-10-21","18:00:00",""
"4345392","10.5113","0.0003","14.3575","0.0004","21.2636","0.0006","90","","90","","90","","3209.02","0.16","150","","150","","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C34 H31 Cu N4 Na O4 -","- C34 H31 Cu N4 Na O4 -","- C136 H124 Cu4 N16 Na4 O16 -","4","1","","Ueno, Takahiro; Fujinami, Takeshi; Matsumoto, Naohide; Furusawa, Masaki; Irie, Ryo; Re, Nazzareno; Kanetomo, Takuya; Ishida, Takayuki; Sunatsuki, Yukinari","Circular and Chainlike Copper(II)-Lanthanide(III) Complexes Generated by Assembly Reactions of Racemic and Chiral Copper(II) Cross-Linking Ligand Complexes with Ln(III)(NO3)3·6H2O (Ln(III) = Gd(III), Tb(III), Dy(III)).","Inorganic chemistry","2017","56","3","1679","1695","10.1021/acs.inorgchem.6b02668","","","0.71075","MoKα","","","0.0325","","","","0.0466","","","","","","1.03","","","","has coordinates","192950","2020-10-21","18:00:00",""
"4345393","13.478","0.004","15.682","0.005","15.861","0.004","90","","90","","90","","3352.4","1.7","120","","120","","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C34 H31 Cu N6 O10 Tb -","- C34 H31 Cu N6 O10 Tb -","- C136 H124 Cu4 N24 O40 Tb4 -","4","1","","Ueno, Takahiro; Fujinami, Takeshi; Matsumoto, Naohide; Furusawa, Masaki; Irie, Ryo; Re, Nazzareno; Kanetomo, Takuya; Ishida, Takayuki; Sunatsuki, Yukinari","Circular and Chainlike Copper(II)-Lanthanide(III) Complexes Generated by Assembly Reactions of Racemic and Chiral Copper(II) Cross-Linking Ligand Complexes with Ln(III)(NO3)3·6H2O (Ln(III) = Gd(III), Tb(III), Dy(III)).","Inorganic chemistry","2017","56","3","1679","1695","10.1021/acs.inorgchem.6b02668","","","0.71075","MoKα","","0.0206","0.0188","","","0.0595","0.0676","","","","","","1.142","","","","has coordinates","192951","2020-10-21","18:00:00",""
"4345394","13.4892","0.0004","15.7803","0.0004","15.8966","0.0005","90","","90","","90","","3383.81","0.17","120","","120","","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C34 H31 Cu Gd N6 O10 -","- C34 H31 Cu Gd N6 O10 -","- C136 H124 Cu4 Gd4 N24 O40 -","4","1","","Ueno, Takahiro; Fujinami, Takeshi; Matsumoto, Naohide; Furusawa, Masaki; Irie, Ryo; Re, Nazzareno; Kanetomo, Takuya; Ishida, Takayuki; Sunatsuki, Yukinari","Circular and Chainlike Copper(II)-Lanthanide(III) Complexes Generated by Assembly Reactions of Racemic and Chiral Copper(II) Cross-Linking Ligand Complexes with Ln(III)(NO3)3·6H2O (Ln(III) = Gd(III), Tb(III), Dy(III)).","Inorganic chemistry","2017","56","3","1679","1695","10.1021/acs.inorgchem.6b02668","","","0.71075","MoKα","","","0.0418","","","","0.0809","","","","","","0.952","","","","has coordinates","192952","2020-10-21","18:00:00",""
"4345395","23.102","0.008","10.066","0.003","21.172","0.006","90","","109.979","0.013","90","","4627","3","93","2","93","2","","","","","","","","7","C 1 c 1","C -2yc","9","","","","- C46 H64 B Cl4 F4 P2 Rh -","- C46 H64 B Cl4 F4 P2 Rh -","- C184 H256 B4 Cl16 F16 P8 Rh4 -","4","1","","Matsusaka, Yuko; Shitaya, Shoji; Nomura, Kotohiro; Inagaki, Akiko","Synthesis of Mono-, Di-, and Trinuclear Rhodium Diphosphine Complexes Containing Light-Harvesting Fluorene Backbones.","Inorganic chemistry","2017","56","3","1027","1030","10.1021/acs.inorgchem.6b02423","","","0.71075","MoKα","","0.0526","0.0459","","","0.1001","0.1046","","","","","","1.042","","","","has coordinates","192953","2020-10-21","18:00:00",""
"4345396","15.8385","0.0003","18.5609","0.0004","21.8751","0.0005","107.81","0.002","97.87","0.002","96.877","0.002","5975.2","0.2","93","2","93","2","","","","","","","","8","P -1","-P 1","2","","","","- C138 H84 B Cl2 F4 O9 P6 Rh3 -","- C138 H84 B Cl2 F4 O9 P6 Rh3 -","- C276 H168 B2 Cl4 F8 O18 P12 Rh6 -","2","1","","Matsusaka, Yuko; Shitaya, Shoji; Nomura, Kotohiro; Inagaki, Akiko","Synthesis of Mono-, Di-, and Trinuclear Rhodium Diphosphine Complexes Containing Light-Harvesting Fluorene Backbones.","Inorganic chemistry","2017","56","3","1027","1030","10.1021/acs.inorgchem.6b02423","","","0.71073","MoKα","","0.077","0.0511","","","0.1356","0.1514","","","","","","1.021","","","","has coordinates","192954","2020-10-21","18:00:00",""
"4345397","13.55","0.006","11.69","0.005","17.615","0.007","90","","101.695","0.004","90","","2732","2","293","2","293","2","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","","","- C37 H28 P2 -","- C37 H28 P2 -","- C148 H112 P8 -","4","1","","Matsusaka, Yuko; Shitaya, Shoji; Nomura, Kotohiro; Inagaki, Akiko","Synthesis of Mono-, Di-, and Trinuclear Rhodium Diphosphine Complexes Containing Light-Harvesting Fluorene Backbones.","Inorganic chemistry","2017","56","3","1027","1030","10.1021/acs.inorgchem.6b02423","","","0.71075","MoKα","","0.0499","0.0421","","","0.1356","0.1427","","","","","","1.085","","","","has coordinates","192955","2020-10-21","18:00:00",""
"4345398","23.557","0.004","22.381","0.003","24.904","0.004","90","","90","","90","","13130","4","93","2","93","2","","","","","","","","6","P b c a","-P 2ac 2ab","61","","","","- C77 H56 Cl2 O P4 Rh2 -","- C77 H56 Cl2 O P4 Rh2 -","- C616 H448 Cl16 O8 P32 Rh16 -","8","1","","Matsusaka, Yuko; Shitaya, Shoji; Nomura, Kotohiro; Inagaki, Akiko","Synthesis of Mono-, Di-, and Trinuclear Rhodium Diphosphine Complexes Containing Light-Harvesting Fluorene Backbones.","Inorganic chemistry","2017","56","3","1027","1030","10.1021/acs.inorgchem.6b02423","","","0.71075","MoKα","","0.0535","0.0377","","","0.0925","0.0962","","","","","","0.923","","","","has coordinates","192956","2020-10-21","18:00:00",""
"4345399","10.341","0.004","19.814","0.009","19.967","0.008","108.986","0.006","93.28","0.006","94.1","0.003","3845","3","93","2","93","2","","","","","","","","7","P -1","-P 1","2","","","","- C89 H74 B2 Cl2 F8 P4 Rh2 -","- C89 H74 B2 Cl2 F8.047 P4 Rh2 -","- C178 H148 B4 Cl4 F16.094 P8 Rh4 -","2","1","","Matsusaka, Yuko; Shitaya, Shoji; Nomura, Kotohiro; Inagaki, Akiko","Synthesis of Mono-, Di-, and Trinuclear Rhodium Diphosphine Complexes Containing Light-Harvesting Fluorene Backbones.","Inorganic chemistry","2017","56","3","1027","1030","10.1021/acs.inorgchem.6b02423","","","0.71075","MoKα","","0.0539","0.0404","","","0.1174","0.1336","","","","","","0.918","","","","has coordinates","192957","2020-10-21","18:00:00",""
"4345400","14.9932","0.0005","14.8032","0.0005","16.2377","0.0009","90","","90.722","0.001","90","","3603.6","0.3","289","2","289.6","","","","","","","","","4","I 1 2/a 1","-I 2ya","15","","","","- O8 Rb2 Si2 U -","- O8 Rb2 Si2 U -","- O128 Rb32 Si32 U16 -","16","2","","Morrison, Gregory; Smith, Mark D.; Zur Loye, Hans-Conrad","Flux versus Hydrothermal Growth: Polymorphism of A2(UO2)Si2O6 (A = Rb, Cs).","Inorganic chemistry","2017","56","3","1053","1056","10.1021/acs.inorgchem.6b02931","","","0.71073","MoKα","","0.0613","0.0258","","","0.0441","0.0535","","","","","","1.049","","","","has coordinates","192959","2020-10-21","18:00:00",""
"4345401","12.136","0.002","10.0426","0.0017","7.7896","0.0013","90","","95.849","0.004","90","","944.4","0.3","297","2","297","2","","","","","","","","4","C 1 2 1","C 2y","5","","","","- Cs2 O8 Si2 U -","- Cs2 O8 Si2 U -","- Cs8 O32 Si8 U4 -","4","1","","Morrison, Gregory; Smith, Mark D.; Zur Loye, Hans-Conrad","Flux versus Hydrothermal Growth: Polymorphism of A2(UO2)Si2O6 (A = Rb, Cs).","Inorganic chemistry","2017","56","3","1053","1056","10.1021/acs.inorgchem.6b02931","","","0.71073","MoKα","","0.0335","0.0298","","","0.0688","0.0704","","","","","","1.012","","","","has coordinates","192960","2020-10-21","18:00:00",""
"4345402","23.53","0.03","11.462","0.009","11.973","0.01","90","","120.045","0.009","90","","2795","5","293","2","293","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C28 H26 Eu N3 O10 -","- C28 H26 Eu N3 O10 -","- C112 H104 Eu4 N12 O40 -","4","0.5","","Wu, Ya-Pan; Xu, Guo-Wang; Dong, Wen-Wen; Zhao, Jun; Li, Dong-Sheng; Zhang, Jian; Bu, Xianhui","Anionic Lanthanide MOFs as a Platform for Iron-Selective Sensing, Systematic Color Tuning, and Efficient Nanoparticle Catalysis.","Inorganic chemistry","2017","56","3","1402","1411","10.1021/acs.inorgchem.6b02476","","","0.71073","MoKα","","0.0311","0.03","","","0.0765","0.0773","","","","","","1.052","","","","has coordinates","192961","2020-10-21","18:00:00",""
"4345403","21.95","0.0003","21.95","0.0003","13.442","0.0003","90","","90","","120","","5608.72","0.17","293","2","293","2","","","","","","","","4","R 3 c :H","R 3 -2""c","161","iodide iodate","","","- Ag4 Bi3 I13 O36 -","- Ag4 Bi3 I13 O36 -","- Ag24 Bi18 I78 O216 -","6","0.333333","","Belokoneva, Elena L.; Stefanovich, Sergey Yu; Dimitrova, Olga V.; Karamysheva, Alina S.; Volkov, Anatoly S.","Iodide-Iodates M3[IO3]12·Ag4I, M = Bi, Tb, with a Framework Structure and High Second-Harmonic Generation Optical Response.","Inorganic chemistry","2017","56","3","1186","1192","10.1021/acs.inorgchem.6b02191","","","0.71073","MoKα","","0.0423","0.0362","","","0.0736","0.077","","","","","","1.119","","","","has coordinates","192962","2020-10-21","18:00:00",""
"4345404","9.7563","0.0003","9.7563","0.0003","7.3053","0.0002","90","","90","","120","","602.2","0.03","293","","293","2","","","","","","","","4","P 63/m","-P 6c","176","","","","- Co0.18 O12.92 P3 Sr5 -","- Co0.18 O12.92 P3 Sr5 -","- Co0.36 O25.84 P6 Sr10 -","2","0.166667","","Kazin, Pavel E.; Zykin, Mikhail A.; Schnelle, Walter; Zubavichus, Yan V.; Babeshkin, Konstantin A.; Tafeenko, Victor A.; Felser, Claudia; Jansen, Martin","Cobalt-Based Single-Ion Magnets on an Apatite Lattice: Toward Patterned Arrays for Magnetic Memories.","Inorganic chemistry","2017","56","3","1232","1240","10.1021/acs.inorgchem.6b02348","","","1.54186","CuKα","","0.0461","0.0447","","","0.0619","0.0628","","","","2.77","2.77","2.76","","","","has coordinates","192963","2020-10-21","18:00:00",""
"4345405","8.3901","0.0003","11.3249","0.0004","4.295","0.0002","90","","90","","90","","408.1","0.03","293","2","293","2","","","","","","","","3","P n m a","-P 2ac 2n","62","","","","- Ba Ge2 Ni2 -","- Ba Ge2 Ni2 -","- Ba4 Ge8 Ni8 -","4","0.5","","Hlukhyy, Viktor; Trots, Dmytro; Fässler, Thomas F","First-Order Phase Transition in BaNi2Ge2 and the Influence of the Valence Electron Count on Distortion of the ThCr2Si2 Structure Type.","Inorganic chemistry","2017","56","3","1173","1185","10.1021/acs.inorgchem.6b02190","","","0.71073","MoKα","","0.0403","0.0351","","","0.0845","0.0872","","","","","","1.136","","","","has coordinates","192964","2020-10-21","18:00:00",""
"4345406","4.26654","0.00008","4.26654","0.00008","11.2544","0.0002","90","","90","","90","","204.868","0.007","783","","783","2","","","","","","","","3","I 4/m m m","-I 4 2","139","","","","- Ba Ge2 Ni2 -","- Ba Ge2 Ni2 -","- Ba2 Ge4 Ni4 -","2","0.0625","","Hlukhyy, Viktor; Trots, Dmytro; Fässler, Thomas F","First-Order Phase Transition in BaNi2Ge2 and the Influence of the Valence Electron Count on Distortion of the ThCr2Si2 Structure Type.","Inorganic chemistry","2017","56","3","1173","1185","10.1021/acs.inorgchem.6b02190","powder diffraction","","0.499966","synchrotron","","","","","","","","","5.8855","12.43","","","","","","","has coordinates","192964","2020-10-21","18:00:00",""
"4345407","12.544","0.003","10.34","0.002","12.411","0.003","90","","114.16","0.03","90","","1468.8","0.7","173","2","173","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C10.75 H7.75 F3 I O3 S Se -","- C10.75 H7.75 F3 I O3 S Se -","- C43 H31 F12 I4 O12 S4 Se4 -","4","1","","Egalahewa, Sathsara; Albayer, Mohammad; Aprile, Antonino; Dutton, Jason L.","Diverse Reactions of Thiophenes, Selenophenes, and Tellurophenes with Strongly Oxidizing I(III) PhI(L)2 Reagents.","Inorganic chemistry","2017","56","3","1282","1288","10.1021/acs.inorgchem.6b02386","","","1.54184","CuKα","","0.072","0.069","","","0.188","0.1923","","","","","","1.053","","","","has coordinates,has disorder","192965","2020-10-21","18:00:00",""
"4345408","8.6374","0.0017","10.167","0.002","21.485","0.004","79.65","0.03","83.06","0.03","88.29","0.03","1842.4","0.7","173","2","173","2","","","","","","","","7","P -1","-P 1","2","","","","- C40 H28 F6 N2 O6 S2 Se -","- C40 H28 F6 N2 O6 S2 Se -","- C80 H56 F12 N4 O12 S4 Se2 -","2","1","","Egalahewa, Sathsara; Albayer, Mohammad; Aprile, Antonino; Dutton, Jason L.","Diverse Reactions of Thiophenes, Selenophenes, and Tellurophenes with Strongly Oxidizing I(III) PhI(L)2 Reagents.","Inorganic chemistry","2017","56","3","1282","1288","10.1021/acs.inorgchem.6b02386","","","1.54184","CuKα","","0.0593","0.0496","","","0.136","0.1452","","","","","","1.055","","","","has coordinates","192965","2020-10-21","18:00:00",""
"4345409","12.392","0.003","10.379","0.002","12.365","0.003","90","","113.66","0.03","90","","1456.7","0.7","173","2","173","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C11 H8 F3 I O3 S2 -","- C11 H8 F3 I O3 S2 -","- C44 H32 F12 I4 O12 S8 -","4","1","","Egalahewa, Sathsara; Albayer, Mohammad; Aprile, Antonino; Dutton, Jason L.","Diverse Reactions of Thiophenes, Selenophenes, and Tellurophenes with Strongly Oxidizing I(III) PhI(L)2 Reagents.","Inorganic chemistry","2017","56","3","1282","1288","10.1021/acs.inorgchem.6b02386","","","1.54184","CuKα","","0.0356","0.0347","","","0.0926","0.0935","","","","","","1.089","","","","has coordinates,has disorder","192965","2020-10-21","18:00:00",""
"4345410","8.481","0.0006","10.4383","0.0008","20.7225","0.0009","95.76","0.005","99.148","0.005","90.39","0.006","1801.5","0.2","123","2","123","2","","","","","","","","6","P -1","-P 1","2","","","","- C40 H28 F6 N2 O6 S3 -","- C40 H28 F6 N2 O6 S3 -","- C80 H56 F12 N4 O12 S6 -","2","1","","Egalahewa, Sathsara; Albayer, Mohammad; Aprile, Antonino; Dutton, Jason L.","Diverse Reactions of Thiophenes, Selenophenes, and Tellurophenes with Strongly Oxidizing I(III) PhI(L)2 Reagents.","Inorganic chemistry","2017","56","3","1282","1288","10.1021/acs.inorgchem.6b02386","","","1.54184","CuKα","","0.1433","0.1329","","","0.3511","0.3575","","","","","","1.092","","","","has coordinates","192965","2020-10-21","18:00:00",""
"4345411","5.2473","0.0002","12.9276","0.0008","7.6949","0.0005","90","","96.105","0.004","90","","519.02","0.05","150","2","150","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C8 H10 O6 U -","- C8 H10 O6 U -","- C16 H20 O12 U2 -","2","1","","Thuéry, Pierre; Harrowfield, Jack","Coordination Polymers and Cage-Containing Frameworks in Uranyl Ion Complexes with rac- and (1R,2R)-trans-1,2-Cyclohexanedicarboxylates: Consequences of Chirality.","Inorganic chemistry","2017","56","3","1455","1469","10.1021/acs.inorgchem.6b02537","","","0.71073","MoKα","","0.027","0.0259","","","0.0651","0.0657","","","","","","1.058","","","","has coordinates","192966","2020-10-21","18:00:00",""
"4345412","10.6489","0.0008","11.2476","0.0008","12.7554","0.0006","90","","103.489","0.004","90","","1485.63","0.17","150","2","150","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C12 H18 O7 U -","- C12 H18 O7 U -","- C48 H72 O28 U4 -","4","1","","Thuéry, Pierre; Harrowfield, Jack","Coordination Polymers and Cage-Containing Frameworks in Uranyl Ion Complexes with rac- and (1R,2R)-trans-1,2-Cyclohexanedicarboxylates: Consequences of Chirality.","Inorganic chemistry","2017","56","3","1455","1469","10.1021/acs.inorgchem.6b02537","","","0.71073","MoKα","","0.0339","0.0265","","","0.0605","0.0626","","","","","","1.057","","","","has coordinates","192966","2020-10-21","18:00:00",""
"4345413","10.3828","0.0006","10.3419","0.0006","14.3432","0.0005","90","","102.942","0.004","90","","1501.02","0.14","150","2","150","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C11 H17 N O7 U -","- C11 H17 N O7 U -","- C44 H68 N4 O28 U4 -","4","1","","Thuéry, Pierre; Harrowfield, Jack","Coordination Polymers and Cage-Containing Frameworks in Uranyl Ion Complexes with rac- and (1R,2R)-trans-1,2-Cyclohexanedicarboxylates: Consequences of Chirality.","Inorganic chemistry","2017","56","3","1455","1469","10.1021/acs.inorgchem.6b02537","","","0.71073","MoKα","","0.0302","0.0269","","","0.0641","0.0651","","","","","","1.13","","","","has coordinates,has disorder","192966","2020-10-21","18:00:00",""
"4345414","11.6986","0.0007","11.8302","0.0005","13.1803","0.0007","90","","112.903","0.003","90","","1680.31","0.16","150","2","150","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C13 H19 N O7 U -","- C13 H19 N O7 U -","- C52 H76 N4 O28 U4 -","4","1","","Thuéry, Pierre; Harrowfield, Jack","Coordination Polymers and Cage-Containing Frameworks in Uranyl Ion Complexes with rac- and (1R,2R)-trans-1,2-Cyclohexanedicarboxylates: Consequences of Chirality.","Inorganic chemistry","2017","56","3","1455","1469","10.1021/acs.inorgchem.6b02537","","","0.71073","MoKα","","0.031","0.0234","","","0.056","0.0579","","","","","","1.049","","","","has coordinates","192966","2020-10-21","18:00:00",""
"4345415","16.7704","0.0007","16.7704","0.0007","18.8976","0.0006","90","","90","","120","","4602.8","0.3","150","2","150","2","","","","","","","","5","P 31","P 31","144","","","","- C18 H18 N2 O6 U -","- C18 H18 N2 O6 U -","- C162 H162 N18 O54 U9 -","9","3","","Thuéry, Pierre; Harrowfield, Jack","Coordination Polymers and Cage-Containing Frameworks in Uranyl Ion Complexes with rac- and (1R,2R)-trans-1,2-Cyclohexanedicarboxylates: Consequences of Chirality.","Inorganic chemistry","2017","56","3","1455","1469","10.1021/acs.inorgchem.6b02537","","","0.71073","MoKα","","0.0474","0.0357","","","0.0659","0.0685","","","","","","1.021","","","","has coordinates","192966","2020-10-21","18:00:00",""
"4345416","16.7746","0.0007","16.7746","0.0007","18.8965","0.0005","90","","90","","120","","4604.9","0.3","150","2","150","2","","","","","","","","5","P 32","P 32","145","","","","- C18 H18 N2 O6 U -","- C18 H18 N2 O6 U -","- C162 H162 N18 O54 U9 -","9","3","","Thuéry, Pierre; Harrowfield, Jack","Coordination Polymers and Cage-Containing Frameworks in Uranyl Ion Complexes with rac- and (1R,2R)-trans-1,2-Cyclohexanedicarboxylates: Consequences of Chirality.","Inorganic chemistry","2017","56","3","1455","1469","10.1021/acs.inorgchem.6b02537","","","0.71073","MoKα","","0.038","0.0349","","","0.0794","0.0804","","","","","","1.077","","","","has coordinates","192966","2020-10-21","18:00:00",""
"4345417","6.4368","0.0003","19.1229","0.0012","23.013","0.0012","90","","97.25","0.003","90","","2810","0.3","150","2","150","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C26 H32 Cu N2 O12 U -","- C26 H32 Cu N2 O12 U -","- C104 H128 Cu4 N8 O48 U4 -","4","1","","Thuéry, Pierre; Harrowfield, Jack","Coordination Polymers and Cage-Containing Frameworks in Uranyl Ion Complexes with rac- and (1R,2R)-trans-1,2-Cyclohexanedicarboxylates: Consequences of Chirality.","Inorganic chemistry","2017","56","3","1455","1469","10.1021/acs.inorgchem.6b02537","","","0.71073","MoKα","","0.0529","0.0319","","","0.0569","0.0612","","","","","","0.986","","","","has coordinates,has disorder","192966","2020-10-21","18:00:00",""
"4345418","19.1847","0.0008","23.868","0.0011","6.4934","0.0002","90","","90","","90","","2973.3","0.2","150","2","150","2","","","","","","","","6","P 21 21 2","P 2 2ab","18","","","","- C26 H34 Cu N2 O13 U -","- C26 H30 Cu N2 O13 U -","- C104 H120 Cu4 N8 O52 U4 -","4","1","","Thuéry, Pierre; Harrowfield, Jack","Coordination Polymers and Cage-Containing Frameworks in Uranyl Ion Complexes with rac- and (1R,2R)-trans-1,2-Cyclohexanedicarboxylates: Consequences of Chirality.","Inorganic chemistry","2017","56","3","1455","1469","10.1021/acs.inorgchem.6b02537","","","0.71073","MoKα","","0.0403","0.0326","","","0.0609","0.0625","","","","","","1.049","","","","has coordinates","192966","2020-10-21","18:00:00",""
"4345419","8.8464","0.0003","10.582","0.0002","22.7846","0.001","90","","90","","90","","2132.93","0.12","150","2","150","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C16 H26 Cd O13 U -","- C16 H26 Cd O13 U -","- C64 H104 Cd4 O52 U4 -","4","1","","Thuéry, Pierre; Harrowfield, Jack","Coordination Polymers and Cage-Containing Frameworks in Uranyl Ion Complexes with rac- and (1R,2R)-trans-1,2-Cyclohexanedicarboxylates: Consequences of Chirality.","Inorganic chemistry","2017","56","3","1455","1469","10.1021/acs.inorgchem.6b02537","","","0.71073","MoKα","","0.0323","0.0268","","","0.0715","0.0735","","","","","","1.027","","","","has coordinates","192966","2020-10-21","18:00:00",""
"4345420","18.0521","0.0008","18.0521","0.0008","19.4747","0.0013","90","","90","","90","","6346.4","0.6","150","2","150","2","","","","","","","","5","I 41/a","-I 4ad","88","","","","- C24 H34 Na2 O18 U2 -","- C24 H34 Na2 O18 U2 -","- C192 H272 Na16 O144 U16 -","8","","","Thuéry, Pierre; Harrowfield, Jack","Coordination Polymers and Cage-Containing Frameworks in Uranyl Ion Complexes with rac- and (1R,2R)-trans-1,2-Cyclohexanedicarboxylates: Consequences of Chirality.","Inorganic chemistry","2017","56","3","1455","1469","10.1021/acs.inorgchem.6b02537","","","0.71073","MoKα","","0.0612","0.0449","","","0.0942","0.099","","","","","","1.149","","","","has coordinates,has disorder","192966","2020-10-21","18:00:00",""
"4345421","18.1546","0.0005","18.1546","0.0005","19.5356","0.0008","90","","90","","90","","6438.7","0.4","150","2","150","2","","","","","","","","5","I 41/a","-I 4ad","88","","","","- C24 H34 Ag2 O18 U2 -","- C24 H34 Ag2 O18 U2 -","- C192 H272 Ag16 O144 U16 -","8","","","Thuéry, Pierre; Harrowfield, Jack","Coordination Polymers and Cage-Containing Frameworks in Uranyl Ion Complexes with rac- and (1R,2R)-trans-1,2-Cyclohexanedicarboxylates: Consequences of Chirality.","Inorganic chemistry","2017","56","3","1455","1469","10.1021/acs.inorgchem.6b02537","","","0.71073","MoKα","","0.0273","0.0264","","","0.0682","0.0686","","","","","","1.09","","","","has coordinates","192966","2020-10-21","18:00:00",""
"4345422","17.8219","0.0004","17.8219","0.0004","19.9154","0.0007","90","","90","","90","","6325.5","0.3","150","2","150","2","","","","","","","","5","I 41","I 4bw","80","","","","- C48 H68 Na4 O36 U4 -","- C48 H68 Na4 O36 U4 -","- C192 H272 Na16 O144 U16 -","4","0.5","","Thuéry, Pierre; Harrowfield, Jack","Coordination Polymers and Cage-Containing Frameworks in Uranyl Ion Complexes with rac- and (1R,2R)-trans-1,2-Cyclohexanedicarboxylates: Consequences of Chirality.","Inorganic chemistry","2017","56","3","1455","1469","10.1021/acs.inorgchem.6b02537","","","0.71073","MoKα","","0.0512","0.0328","","","0.0829","0.0882","","","","","","0.941","","","","has coordinates","286259","2023-09-07","06:04:50",""
"4345423","16.9724","0.0003","16.9724","0.0003","23.6721","0.0005","90","","90","","90","","6819","0.2","150","2","150","2","","","","","","","","5","P 43 21 2","P 4nw 2abw","96","","","","- C24 H38 O20 Pb U2 -","- C24 H36 O20 Pb U2 -","- C192 H288 O160 Pb8 U16 -","8","1","","Thuéry, Pierre; Harrowfield, Jack","Coordination Polymers and Cage-Containing Frameworks in Uranyl Ion Complexes with rac- and (1R,2R)-trans-1,2-Cyclohexanedicarboxylates: Consequences of Chirality.","Inorganic chemistry","2017","56","3","1455","1469","10.1021/acs.inorgchem.6b02537","","","0.71073","MoKα","","0.0622","0.053","","","0.1461","0.1543","","","","","","1.099","","","","has coordinates","192966","2020-10-21","18:00:00",""
"4345424","7.6087","0.001","8.7312","0.0012","16.561","0.002","90","","90","","90","","1100.2","0.2","200","2","200","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","2 MeOH","","","- C9 H10 N O7 V -","- C9 H10 N O7 V -","- C36 H40 N4 O28 V4 -","4","1","","Schmidt, Anna-Corina; Hermsen, Marko; Rominger, Frank; Dehn, Richard; Teles, Joaquim Henrique; Schäfer, Ansgar; Trapp, Oliver; Schaub, Thomas","Synthesis of Mono- and Dinuclear Vanadium Complexes and Their Reactivity toward Dehydroperoxidation of Alkyl Hydroperoxides.","Inorganic chemistry","2017","56","3","1319","1332","10.1021/acs.inorgchem.6b02322","","","0.71073","MoKα","","0.0333","0.029","","","0.0608","0.0643","","","","","","1.111","","","","has coordinates","192967","2020-10-21","18:00:00",""
"4345425","7.9664","0.0003","11.2735","0.0004","8.8911","0.0003","90","","110.165","0.0016","90","","749.56","0.05","200","2","200","2","","","","","","","","5","P 1 21/m 1","-P 2yb","11","5 H2O","","","- C13 H16 N O7 V -","- C13 H16 N O7 V -","- C26 H32 N2 O14 V2 -","2","0.5","","Schmidt, Anna-Corina; Hermsen, Marko; Rominger, Frank; Dehn, Richard; Teles, Joaquim Henrique; Schäfer, Ansgar; Trapp, Oliver; Schaub, Thomas","Synthesis of Mono- and Dinuclear Vanadium Complexes and Their Reactivity toward Dehydroperoxidation of Alkyl Hydroperoxides.","Inorganic chemistry","2017","56","3","1319","1332","10.1021/acs.inorgchem.6b02322","","","0.71073","MoKα","","0.0344","0.0313","","","0.0836","0.0852","","","","","","1.129","","","","has coordinates,has disorder","192967","2020-10-21","18:00:00",""
"4345426","15.956","0.002","12.2604","0.0017","15.964","0.002","90","","91.959","0.003","90","","3121.2","0.7","200","2","200","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","6 H2O","","","- C13 H16 N O8 V -","- C13 H16 N O8 V -","- C104 H128 N8 O64 V8 -","8","2","","Schmidt, Anna-Corina; Hermsen, Marko; Rominger, Frank; Dehn, Richard; Teles, Joaquim Henrique; Schäfer, Ansgar; Trapp, Oliver; Schaub, Thomas","Synthesis of Mono- and Dinuclear Vanadium Complexes and Their Reactivity toward Dehydroperoxidation of Alkyl Hydroperoxides.","Inorganic chemistry","2017","56","3","1319","1332","10.1021/acs.inorgchem.6b02322","","","0.71073","MoKα","","0.0674","0.0444","","","0.0928","0.103","","","","","","1.034","","","","has coordinates,has disorder","192967","2020-10-21","18:00:00",""
"4345427","7.4181","0.0017","14.329","0.003","20.117","0.005","90","","97.069","0.005","90","","2122.1","0.8","200","2","200","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","7","","","- C18 H12 N4 O11 V2 -","- C18 H12 N4 O11 V2 -","- C72 H48 N16 O44 V8 -","4","1","","Schmidt, Anna-Corina; Hermsen, Marko; Rominger, Frank; Dehn, Richard; Teles, Joaquim Henrique; Schäfer, Ansgar; Trapp, Oliver; Schaub, Thomas","Synthesis of Mono- and Dinuclear Vanadium Complexes and Their Reactivity toward Dehydroperoxidation of Alkyl Hydroperoxides.","Inorganic chemistry","2017","56","3","1319","1332","10.1021/acs.inorgchem.6b02322","","","0.71073","MoKα","","0.1198","0.0612","","","0.1108","0.131","","","","","","1.028","","","","has coordinates","192967","2020-10-21","18:00:00",""
"4345428","11.0831","0.0008","9.1844","0.0006","17.1171","0.0013","90","","104.15","0.0019","90","","1689.5","0.2","200","2","200","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","9b MeOH","","","- C15 H14 Cl2 N O5 V -","- C15 H14 Cl2 N O5 V -","- C60 H56 Cl8 N4 O20 V4 -","4","1","","Schmidt, Anna-Corina; Hermsen, Marko; Rominger, Frank; Dehn, Richard; Teles, Joaquim Henrique; Schäfer, Ansgar; Trapp, Oliver; Schaub, Thomas","Synthesis of Mono- and Dinuclear Vanadium Complexes and Their Reactivity toward Dehydroperoxidation of Alkyl Hydroperoxides.","Inorganic chemistry","2017","56","3","1319","1332","10.1021/acs.inorgchem.6b02322","","","0.71073","MoKα","","0.0761","0.0499","","","0.1013","0.1116","","","","","","1.04","","","","has coordinates","192967","2020-10-21","18:00:00",""
"4345429","13.2843","0.0009","7.9773","0.0005","13.3647","0.0009","90","","106.82","0.003","90","","1355.7","0.16","200","2","200","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","9c","","","- C13 H7 Cl2 N O3.5 V -","- C13 H7 Cl2 N O3.5 V -","- C52 H28 Cl8 N4 O14 V4 -","4","1","","Schmidt, Anna-Corina; Hermsen, Marko; Rominger, Frank; Dehn, Richard; Teles, Joaquim Henrique; Schäfer, Ansgar; Trapp, Oliver; Schaub, Thomas","Synthesis of Mono- and Dinuclear Vanadium Complexes and Their Reactivity toward Dehydroperoxidation of Alkyl Hydroperoxides.","Inorganic chemistry","2017","56","3","1319","1332","10.1021/acs.inorgchem.6b02322","","","0.71073","MoKα","","0.0829","0.0615","","","0.1563","0.1708","","","","","","1.05","","","","has coordinates,has disorder","192967","2020-10-21","18:00:00",""
"4345430","13.6995","0.0008","26.8723","0.0019","13.535","0.0008","90","","100.633","0.0019","90","","4897.2","0.5","200","2","200","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","10c","","","- C44 H54 Cl0 N2 O7 V2 -","- C44 H54 N2 O7 V2 -","- C176 H216 N8 O28 V8 -","4","1","","Schmidt, Anna-Corina; Hermsen, Marko; Rominger, Frank; Dehn, Richard; Teles, Joaquim Henrique; Schäfer, Ansgar; Trapp, Oliver; Schaub, Thomas","Synthesis of Mono- and Dinuclear Vanadium Complexes and Their Reactivity toward Dehydroperoxidation of Alkyl Hydroperoxides.","Inorganic chemistry","2017","56","3","1319","1332","10.1021/acs.inorgchem.6b02322","","","0.71073","MoKα","","0.0937","0.0657","","","0.1542","0.173","","","","","","1.033","","","","has coordinates,has disorder","192967","2020-10-21","18:00:00",""
"4345431","13.3089","0.0009","13.9268","0.0009","15.0994","0.001","93.771","0.002","105.117","0.002","117.787","0.0019","2332.1","0.3","200","2","200","2","","","","","","","","5","P -1","-P 1","2","10c","","","- C50 H60 N2 O7 V2 -","- C49 H58 N2 O7 V2 -","- C98 H116 N4 O14 V4 -","2","1","","Schmidt, Anna-Corina; Hermsen, Marko; Rominger, Frank; Dehn, Richard; Teles, Joaquim Henrique; Schäfer, Ansgar; Trapp, Oliver; Schaub, Thomas","Synthesis of Mono- and Dinuclear Vanadium Complexes and Their Reactivity toward Dehydroperoxidation of Alkyl Hydroperoxides.","Inorganic chemistry","2017","56","3","1319","1332","10.1021/acs.inorgchem.6b02322","","","0.71073","MoKα","","0.119","0.0792","","","0.197","0.221","","","","","","1.026","","","","has coordinates,has disorder","192967","2020-10-21","18:00:00",""
"4345432","15.6497","0.0011","11.9057","0.0009","26.558","0.002","90","","90","","90","","4948.3","0.6","100","2","100","2","","","","","","","","5","P b c n","-P 2n 2ab","60","11c","","","- C52 H70 N2 O7 V2 -","- C52 H70 N2 O7 V2 -","- C208 H280 N8 O28 V8 -","4","0.5","","Schmidt, Anna-Corina; Hermsen, Marko; Rominger, Frank; Dehn, Richard; Teles, Joaquim Henrique; Schäfer, Ansgar; Trapp, Oliver; Schaub, Thomas","Synthesis of Mono- and Dinuclear Vanadium Complexes and Their Reactivity toward Dehydroperoxidation of Alkyl Hydroperoxides.","Inorganic chemistry","2017","56","3","1319","1332","10.1021/acs.inorgchem.6b02322","","","1.54178","CuKα","","0.169","0.1126","","","0.2641","0.2898","","","","","","1.134","","","","has coordinates,has disorder","192967","2020-10-21","18:00:00",""
"4345433","15.434","0.005","5.9394","0.0013","16.198","0.004","90","","91.45","0.02","90","","1484.4","0.7","100","2","100","2","","","","","","","","5","P 1 21 1","P 2yb","4","12b","","","- C30 H44 N O4 V -","- C30 H44 N O4 V -","- C60 H88 N2 O8 V2 -","2","1","","Schmidt, Anna-Corina; Hermsen, Marko; Rominger, Frank; Dehn, Richard; Teles, Joaquim Henrique; Schäfer, Ansgar; Trapp, Oliver; Schaub, Thomas","Synthesis of Mono- and Dinuclear Vanadium Complexes and Their Reactivity toward Dehydroperoxidation of Alkyl Hydroperoxides.","Inorganic chemistry","2017","56","3","1319","1332","10.1021/acs.inorgchem.6b02322","","","1.54178","CuKα","","0.1612","0.1107","","","0.2691","0.3158","","","","","","1.076","","","","has coordinates,has disorder","192967","2020-10-21","18:00:00",""
"4345434","16.798","0.0011","6.051","0.0004","30.34","0.002","90","","91.592","0.002","90","","3082.7","0.4","200","2","200","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","12a","","","- C31 H46 N O4 V -","- C31 H46 N O4 V -","- C124 H184 N4 O16 V4 -","4","1","","Schmidt, Anna-Corina; Hermsen, Marko; Rominger, Frank; Dehn, Richard; Teles, Joaquim Henrique; Schäfer, Ansgar; Trapp, Oliver; Schaub, Thomas","Synthesis of Mono- and Dinuclear Vanadium Complexes and Their Reactivity toward Dehydroperoxidation of Alkyl Hydroperoxides.","Inorganic chemistry","2017","56","3","1319","1332","10.1021/acs.inorgchem.6b02322","","","0.71073","MoKα","","0.1176","0.0945","","","0.2209","0.23","","","","","","1.177","","","","has coordinates,has disorder","192967","2020-10-21","18:00:00",""
"4345435","6.8185","0.0003","7.0241","0.0003","9.137","0.0004","87.232","0.001","87.633","0.001","88.287","0.001","436.55","0.03","298","2","298","2","","","","","","","","4","P -1","-P 1","2","","","","- Lu Na P2 S6 -","- Lu Na P2 S6 -","- Lu2 Na2 P4 S12 -","2","1","","Schoop, Leslie M.; Eger, Roland; Kremer, Reinhard K.; Kuhn, Alexander; Nuss, Jürgen; Lotsch, Bettina V.","Structural Stability Diagram of ALnP2S6 Compounds (A = Na, K, Rb, Cs; Ln = Lanthanide).","Inorganic chemistry","2017","56","3","1121","1131","10.1021/acs.inorgchem.6b02052","","x-ray","0.71073","MoKα","","0.0205","0.0202","","","0.0517","0.052","","","","","","1.027","","","","has coordinates","192968","2020-10-21","18:00:00",""
"4345436","11.6056","0.0004","7.3991","0.0002","11.1533","0.0004","90","","111.55","","90","","890.8","0.05","298","2","298","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- Na P2 Pr S6 -","- Na P2 Pr S6 -","- Na4 P8 Pr4 S24 -","4","1","","Schoop, Leslie M.; Eger, Roland; Kremer, Reinhard K.; Kuhn, Alexander; Nuss, Jürgen; Lotsch, Bettina V.","Structural Stability Diagram of ALnP2S6 Compounds (A = Na, K, Rb, Cs; Ln = Lanthanide).","Inorganic chemistry","2017","56","3","1121","1131","10.1021/acs.inorgchem.6b02052","","x-ray","0.71073","MoKα","","0.0202","0.0197","","","0.0494","0.0497","","","","","","1.117","","","","has coordinates","192969","2020-10-21","18:00:00",""
"4345437","18.757","0.005","8.662","0.002","17.853","0.005","90","","114.688","0.007","90","","2635.5","1.2","100","2","100","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C21 H41 N3 S Si3 -","- C21 H41 N3 S Si3 -","- C84 H164 N12 S4 Si12 -","4","1","","Parvin, Nasrina; Pal, Shiv; Khan, Shabana; Das, Shubhajit; Pati, Swapan K.; Roesky, Herbert W.","Unique Approach to Copper(I) Silylene Chalcogenone Complexes.","Inorganic chemistry","2017","56","3","1706","1712","10.1021/acs.inorgchem.6b02833","","","0.71073","MoKα","","0.1941","0.0867","","","0.1166","0.1486","","","","","","1.05","","","","has coordinates","192970","2020-10-21","18:00:00",""
"4345438","13.8646","0.0018","13.9873","0.0017","13.9873","0.0017","89.9","","81.02","0.002","81.02","0.002","2645.7","0.6","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","","","- C21 H41 N3 Se Si3 -","- C21 H41 N3 Se Si3 -","- C84 H164 N12 Se4 Si12 -","4","2","","Parvin, Nasrina; Pal, Shiv; Khan, Shabana; Das, Shubhajit; Pati, Swapan K.; Roesky, Herbert W.","Unique Approach to Copper(I) Silylene Chalcogenone Complexes.","Inorganic chemistry","2017","56","3","1706","1712","10.1021/acs.inorgchem.6b02833","","","0.71073","MoKα","","0.067","0.0377","","","0.0667","0.0755","","","","","","1.016","","","","has coordinates","192970","2020-10-21","18:00:00",""
"4345439","17.7574","0.0018","16.0785","0.0017","19.521","0.002","90","","90","","90","","5573.5","1","100","2","100","2","","","","","","","","7","P b c a","-P 2ac 2ab","61","","","","- C21 H41 Cl Cu N3 S Si3 -","- C21 H41 Cl Cu N3 S Si3 -","- C168 H328 Cl8 Cu8 N24 S8 Si24 -","8","1","","Parvin, Nasrina; Pal, Shiv; Khan, Shabana; Das, Shubhajit; Pati, Swapan K.; Roesky, Herbert W.","Unique Approach to Copper(I) Silylene Chalcogenone Complexes.","Inorganic chemistry","2017","56","3","1706","1712","10.1021/acs.inorgchem.6b02833","","","0.71073","MoKα","","0.1813","0.0744","","","0.1019","0.1281","","","","","","1.064","","","","has coordinates","192970","2020-10-21","18:00:00",""
"4345440","19.1905","0.0006","9.1326","0.0003","18.2543","0.0006","90","","92.758","0.002","90","","3195.53","0.18","100","2","100","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C21 H41 Br Cu N3 S Si3 -","- C21 H41 Br Cu N3 S Si3 -","- C84 H164 Br4 Cu4 N12 S4 Si12 -","4","1","","Parvin, Nasrina; Pal, Shiv; Khan, Shabana; Das, Shubhajit; Pati, Swapan K.; Roesky, Herbert W.","Unique Approach to Copper(I) Silylene Chalcogenone Complexes.","Inorganic chemistry","2017","56","3","1706","1712","10.1021/acs.inorgchem.6b02833","","","0.71073","MoKα","","0.0425","0.0357","","","0.069","0.0718","","","","","","1.031","","","","has coordinates","192970","2020-10-21","18:00:00",""
"4345441","17.993","0.002","15.7923","0.0016","19.676","0.002","90","","90","","90","","5591","1","100","2","100","2","","","","","","","","7","P b c a","-P 2ac 2ab","61","","","","- C21 H41 Cl Cu N3 Se Si3 -","- C21 H41 Cl Cu N3 Se Si3 -","- C168 H328 Cl8 Cu8 N24 Se8 Si24 -","8","1","","Parvin, Nasrina; Pal, Shiv; Khan, Shabana; Das, Shubhajit; Pati, Swapan K.; Roesky, Herbert W.","Unique Approach to Copper(I) Silylene Chalcogenone Complexes.","Inorganic chemistry","2017","56","3","1706","1712","10.1021/acs.inorgchem.6b02833","","","0.71073","MoKα","","0.0556","0.0322","","","0.0567","0.0638","","","","","","1.05","","","","has coordinates","192970","2020-10-21","18:00:00",""
"4345442","18.1256","0.0019","15.6375","0.0016","19.893","0.002","90","","90","","90","","5638.5","1","100","2","100","2","","","","","","","","7","P b c a","-P 2ac 2ab","61","","","","- C21 H41 Br Cu N3 Se Si3 -","- C21 H41 Br Cu N3 Se Si3 -","- C168 H328 Br8 Cu8 N24 Se8 Si24 -","8","1","","Parvin, Nasrina; Pal, Shiv; Khan, Shabana; Das, Shubhajit; Pati, Swapan K.; Roesky, Herbert W.","Unique Approach to Copper(I) Silylene Chalcogenone Complexes.","Inorganic chemistry","2017","56","3","1706","1712","10.1021/acs.inorgchem.6b02833","","","0.71073","MoKα","","0.1116","0.0793","","","0.1042","0.1137","","","","","","1.349","","","","has coordinates","192970","2020-10-21","18:00:00",""
"4345443","21.191","0.012","12.807","0.007","25.044","0.014","90","","99.715","0.01","90","","6699","6","100","2","100","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C76 H64 Br Cu N2 Se -","- C76 H64 Br Cu N2 Se -","- C304 H256 Br4 Cu4 N8 Se4 -","4","1","","Parvin, Nasrina; Pal, Shiv; Khan, Shabana; Das, Shubhajit; Pati, Swapan K.; Roesky, Herbert W.","Unique Approach to Copper(I) Silylene Chalcogenone Complexes.","Inorganic chemistry","2017","56","3","1706","1712","10.1021/acs.inorgchem.6b02833","","","0.71073","MoKα","","0.2089","0.127","","","0.2735","0.3143","","","","","","1.117","","","","has coordinates","192971","2020-10-21","18:00:00",""
"4345444","15.2383","0.0008","10.7151","0.0006","26.0838","0.0012","90","","100.534","0.002","90","","4187.2","0.4","180","2","180","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C41 H31 Cu I N P2 -","- C41 H31 Cu I N P2 -","- C164 H124 Cu4 I4 N4 P8 -","4","1","","Zeng, Chao; Wang, Nan; Peng, Tai; Wang, Suning","Copper(I) Complexes Bearing 1,2-Phenyl-Bridged P(∧)N, P(∧)N(∧)P, and N(∧)P(∧)N Chelate Ligands: Structures and Phosphorescence.","Inorganic chemistry","2017","56","3","1616","1625","10.1021/acs.inorgchem.6b02721","","","0.71073","MoKα","","0.0367","0.029","","","0.0681","0.0705","","","","","","1.075","","","","has coordinates","192972","2020-10-21","18:00:00",""
"4345445","12.5312","0.0002","22.7265","0.0003","15.5181","0.0002","90","","102.377","0.001","90","","4316.69","0.11","180","2","180","2","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C43 H35 Cl6 Cu I N P2 -","- C43 H35 Cl6 Cu I N P2 -","- C172 H140 Cl24 Cu4 I4 N4 P8 -","4","1","","Zeng, Chao; Wang, Nan; Peng, Tai; Wang, Suning","Copper(I) Complexes Bearing 1,2-Phenyl-Bridged P(∧)N, P(∧)N(∧)P, and N(∧)P(∧)N Chelate Ligands: Structures and Phosphorescence.","Inorganic chemistry","2017","56","3","1616","1625","10.1021/acs.inorgchem.6b02721","","","0.71073","MoKα","","0.0552","0.0388","","","0.0848","0.0919","","","","","","1.05","","","","has coordinates","192973","2020-10-21","18:00:00",""
"4345446","9.939","0.001","11.4283","0.0012","12.3569","0.0013","78.657","0.001","76.53","0.001","67.459","0.001","1251.6","0.2","180","2","180","2","","","","","","","","7","P -1","-P 1","2","","","","- C48 H38 Cl6 Cu2 I2 N2 P2 -","- C48 H38 Cl6 Cu2 I2 N2 P2 -","- C48 H38 Cl6 Cu2 I2 N2 P2 -","1","0.5","","Zeng, Chao; Wang, Nan; Peng, Tai; Wang, Suning","Copper(I) Complexes Bearing 1,2-Phenyl-Bridged P(∧)N, P(∧)N(∧)P, and N(∧)P(∧)N Chelate Ligands: Structures and Phosphorescence.","Inorganic chemistry","2017","56","3","1616","1625","10.1021/acs.inorgchem.6b02721","","","0.71073","MoKα","","0.021","0.0193","","","0.0483","0.0495","","","","","","0.99","","","","has coordinates","192974","2020-10-21","18:00:00",""
"4345447","17.4265","0.0007","15.1625","0.0005","17.4591","0.0007","90","","119.631","0.001","90","","4009.9","0.3","180","2","180","2","","","","","","","","8","P 1 21/c 1","-P 2ybc","14","","","","- C40 H35 Cl2 Cu I N3 O0.25 P2 -","- C40 H35 Cl2 Cu I N3 O0.25 P2 -","- C160 H140 Cl8 Cu4 I4 N12 O P8 -","4","1","","Zeng, Chao; Wang, Nan; Peng, Tai; Wang, Suning","Copper(I) Complexes Bearing 1,2-Phenyl-Bridged P(∧)N, P(∧)N(∧)P, and N(∧)P(∧)N Chelate Ligands: Structures and Phosphorescence.","Inorganic chemistry","2017","56","3","1616","1625","10.1021/acs.inorgchem.6b02721","","","0.71073","MoKα","","0.0655","0.0448","","","0.118","0.1296","","","","","","1.051","","","","has coordinates,has disorder","192975","2020-10-21","18:00:00",""
"4345448","12.7856","0.0003","23.0163","0.0006","13.7789","0.0004","90","","90.063","0.001","90","","4054.81","0.18","296","2","296","2","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C46 H36 B Cu F4 N2 P2 -","- C46 H36 B Cu F4 N2 P2 -","- C184 H144 B4 Cu4 F16 N8 P8 -","4","1","","Zeng, Chao; Wang, Nan; Peng, Tai; Wang, Suning","Copper(I) Complexes Bearing 1,2-Phenyl-Bridged P(∧)N, P(∧)N(∧)P, and N(∧)P(∧)N Chelate Ligands: Structures and Phosphorescence.","Inorganic chemistry","2017","56","3","1616","1625","10.1021/acs.inorgchem.6b02721","","","0.71073","MoKα","","0.0865","0.0453","","","0.1001","0.1165","","","","","","1.04","","","","has coordinates,has disorder","192976","2020-10-21","18:00:00",""
"4345449","11.0487","0.0006","7.8742","0.0004","8.9089","0.0004","90","","90","","90","","775.07","0.07","293","2","293","2","","","","","","","","4","P c a 21","P 2c -2ac","29","","","","- B10 H8 Na2 O20 -","- B10 H8 Na2 O20 -","- B20 H16 Na4 O40 -","2","0.5","","Wu, Chao; Li, Longhua; Song, Junling; Yang, Gang; Humphrey, Mark G.; Zhang, Chi","Facile Syntheses of Ba2[B4O7(OH)2] and Na[B5O7(OH)2](H2O) Borate Salts Exhibiting Nonlinear Optical Activity in the Ultraviolet.","Inorganic chemistry","2017","56","3","1340","1348","10.1021/acs.inorgchem.6b02457","","","0.71073","MoKα","","0.0426","0.0366","","","0.0786","0.0809","","","","","","1.056","","","","has coordinates","192977","2020-10-21","18:00:00",""
"4345450","6.8245","0.0005","6.8245","0.0005","13.7181","0.0014","90","","90","","120","","553.31","0.08","293","2","293","2","","","","","","","","4","P 31 2 1","P 31 2""","152","","","","- B4 Ba2 H0 O9 -","- B4 Ba2 O9 -","- B12 Ba6 O27 -","3","0.5","","Wu, Chao; Li, Longhua; Song, Junling; Yang, Gang; Humphrey, Mark G.; Zhang, Chi","Facile Syntheses of Ba2[B4O7(OH)2] and Na[B5O7(OH)2](H2O) Borate Salts Exhibiting Nonlinear Optical Activity in the Ultraviolet.","Inorganic chemistry","2017","56","3","1340","1348","10.1021/acs.inorgchem.6b02457","","","0.71073","MoKα","","0.0814","0.0706","","","0.1449","0.1503","","","","","","1.115","","","","has coordinates","192978","2020-10-21","18:00:00",""
"4345451","8.996","0.0018","17.441","0.004","22.012","0.004","111.09","0.03","96.09","0.03","93.14","0.03","3188","1.3","100","2","100.15","","","","","","","","","5","P -1","-P 1","2","","","","- C31 H34 N6 O9 Zn -","- C25 H18 N4 O6 Zn -","- C100 H72 N16 O24 Zn4 -","4","2","","Azhdari Tehrani, Alireza; Esrafili, Leili; Abedi, Sedigheh; Morsali, Ali; Carlucci, Lucia; Proserpio, Davide M.; Wang, Jun; Junk, Peter C.; Liu, Tianfu","Urea Metal-Organic Frameworks for Nitro-Substituted Compounds Sensing.","Inorganic chemistry","2017","56","3","1446","1454","10.1021/acs.inorgchem.6b02518","","","0.71073","Synchrotron","","0.1221","0.0992","","","0.2696","0.2798","","","","","","1.087","","","","has coordinates","192979","2020-10-21","18:00:00",""
"4345452","13.642","0.002","21.65","0.004","14.722","0.003","90","","96.399","0.008","90","","4321","1.3","100","2","100","2","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C40 H29 Cl3 F12 N10 P2 Ru -","- C40 H29 Cl3 F12 N10 P2 Ru -","- C160 H116 Cl12 F48 N40 P8 Ru4 -","4","1","","Sheet, Sanjoy Kumar; Sen, Bhaskar; Thounaojam, Romita; Aguan, Kripamoy; Khatua, Snehadrinarayan","Ruthenium(II) Complex-Based Luminescent Bifunctional Probe for Ag(+) and Phosphate Ions: Ag(+)-Assisted Detection and Imaging of rRNA.","Inorganic chemistry","2017","56","3","1249","1263","10.1021/acs.inorgchem.6b02343","","","0.71073","MoKα","","0.0782","0.054","","","0.1268","0.1444","","","","","","1.022","","","","has coordinates","192980","2020-10-21","18:00:00",""
"4345453","9.0971","0.0005","28.246","0.002","11.8204","0.0009","90","","103.434","0.007","90","","2954.2","0.4","150.01","0.1","150.01","0.1","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C20 H40 Cl3 Cu K O10 -","- C20 H40 Cl3 Cu K O10 -","- C80 H160 Cl12 Cu4 K4 O40 -","4","1","","Cai, Li-Zhen; Jiang, Xiao-Ming; Zhang, Zhang-Jing; Guo, Pei-Yu; Jin, Ai-Ping; Wang, Ming-Sheng; Guo, Guo-Cong","Reversible Single-Crystal-to-Single-Crystal Transformation and Magnetic Change of Nonporous Copper(II) Complexes by the Chemisorption/Desorption of HCl and H2O.","Inorganic chemistry","2017","56","3","1036","1040","10.1021/acs.inorgchem.6b02671","","","1.5418","CuKα","","0.149","0.1087","","","0.2958","0.3261","","","","","","1.084","","","","has coordinates,has disorder","192981","2020-10-21","18:00:00",""
"4345454","9.151","0.0005","11.5419","0.0007","17.8562","0.001","87.826","0.001","77.694","0.001","84.586","0.001","1834.11","0.18","100","2","100","2","","","","","","","","6","P -1","-P 1","2","bmkxr52","","","- C36 H53 Cl2 N4 Nb O -","- C36 H53 Cl2 N4 Nb O -","- C72 H106 Cl4 N8 Nb2 O2 -","2","1","","Kriegel, Benjamin M.; Naested, Lara C. E.; Nocton, Grégory; Lakshmi, K. V.; Lohrey, Trevor D.; Bergman, Robert G.; Arnold, John","Redox-Initiated Reactivity of Dinuclear β-Diketiminatoniobium Imido Complexes.","Inorganic chemistry","2017","56","3","1626","1637","10.1021/acs.inorgchem.6b02735","","","0.71073","MoKα","","0.0236","0.0231","","","0.0588","0.0591","","","","","","1.111","","","","has coordinates","192982","2020-10-21","18:00:00",""
"4345455","10.567","0.002","11.761","0.002","19.903","0.004","78.6","0.03","81.96","0.03","74.41","0.03","2325.6","0.9","150","2","150","2","","","","","","","","7","P -1","-P 1","2","","","","- C42.5 H74 Cl N2 P2 Si Ti -","- C42.5 H74 Cl N2 P2 Si Ti -","- C85 H148 Cl2 N4 P4 Si2 Ti2 -","2","1","","Ponikiewski, Ł; Ziółkowska, A; Pikies, J.","Reactions of Lithiated Diphosphanes R2P-P(SiMe3)Li (R = tBu and iPr) with [(Me)NacnacTiCl2·THF] and [(Me)NacnacTiCl3]. Formation and Structure of Titanium(III) and Titanium(IV) β-Diketiminato Complexes Bearing the Side-on Phosphanylphosphido and Phosphanylphosphinidene Functionalities.","Inorganic chemistry","2017","56","3","1094","1103","10.1021/acs.inorgchem.6b01929","","","0.71073","MoKα","","0.1669","0.0822","","","0.1668","0.2014","","","","","","0.943","","","","has coordinates,has disorder","192983","2020-10-21","18:00:00",""
"4345456","10.4471","0.0012","18.809","0.003","20.693","0.002","90","","95.655","0.009","90","","4046.4","0.9","120","2","120","2","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C38 H64 Cl N2 P2 Si Ti -","- C38 H64 Cl N2 P2 Si Ti -","- C152 H256 Cl4 N8 P8 Si4 Ti4 -","4","1","","Ponikiewski, Ł; Ziółkowska, A; Pikies, J.","Reactions of Lithiated Diphosphanes R2P-P(SiMe3)Li (R = tBu and iPr) with [(Me)NacnacTiCl2·THF] and [(Me)NacnacTiCl3]. Formation and Structure of Titanium(III) and Titanium(IV) β-Diketiminato Complexes Bearing the Side-on Phosphanylphosphido and Phosphanylphosphinidene Functionalities.","Inorganic chemistry","2017","56","3","1094","1103","10.1021/acs.inorgchem.6b01929","","","0.71073","MoKα","","0.0836","0.0562","","","0.1462","0.1703","","","","","","1.088","","","","has coordinates,has disorder","192983","2020-10-21","18:00:00",""
"4345457","17.5957","0.0009","17.4527","0.0006","12.8529","0.0007","90","","104.503","0.004","90","","3821.3","0.3","150","2","150","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C37 H59 Cl N2 P2 Ti -","- C37 H59 Cl N2 P2 Ti -","- C148 H236 Cl4 N8 P8 Ti4 -","4","1","","Ponikiewski, Ł; Ziółkowska, A; Pikies, J.","Reactions of Lithiated Diphosphanes R2P-P(SiMe3)Li (R = tBu and iPr) with [(Me)NacnacTiCl2·THF] and [(Me)NacnacTiCl3]. Formation and Structure of Titanium(III) and Titanium(IV) β-Diketiminato Complexes Bearing the Side-on Phosphanylphosphido and Phosphanylphosphinidene Functionalities.","Inorganic chemistry","2017","56","3","1094","1103","10.1021/acs.inorgchem.6b01929","","","1.54178","CuKα","","0.0727","0.0457","","","0.1133","0.1261","","","","","","1.018","","","","has coordinates","192983","2020-10-21","18:00:00",""
"4345458","9.4241","0.0019","9.931","0.002","20.442","0.004","84.43","0.03","85.85","0.03","75.07","0.03","1837.6","0.7","150","2","150","2","","","","","","","","6","P -1","-P 1","2","","","","- C37 H59 Cl N2 P2 Ti -","- C37 H59 Cl N2 P2 Ti -","- C74 H118 Cl2 N4 P4 Ti2 -","2","1","","Ponikiewski, Ł; Ziółkowska, A; Pikies, J.","Reactions of Lithiated Diphosphanes R2P-P(SiMe3)Li (R = tBu and iPr) with [(Me)NacnacTiCl2·THF] and [(Me)NacnacTiCl3]. Formation and Structure of Titanium(III) and Titanium(IV) β-Diketiminato Complexes Bearing the Side-on Phosphanylphosphido and Phosphanylphosphinidene Functionalities.","Inorganic chemistry","2017","56","3","1094","1103","10.1021/acs.inorgchem.6b01929","","","0.71073","MoKα","","0.1874","0.1099","","","0.2501","0.2853","","","","","","1.083","","","","has coordinates","192983","2020-10-21","18:00:00",""
"4345459","10.6082","0.0005","21.4838","0.0007","16.8009","0.0007","90","","108.142","0.003","90","","3638.7","0.3","150","2","150","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C35 H55 Cl N2 P2 Ti -","- C35 H55 Cl N2 P2 Ti -","- C140 H220 Cl4 N8 P8 Ti4 -","4","1","","Ponikiewski, Ł; Ziółkowska, A; Pikies, J.","Reactions of Lithiated Diphosphanes R2P-P(SiMe3)Li (R = tBu and iPr) with [(Me)NacnacTiCl2·THF] and [(Me)NacnacTiCl3]. Formation and Structure of Titanium(III) and Titanium(IV) β-Diketiminato Complexes Bearing the Side-on Phosphanylphosphido and Phosphanylphosphinidene Functionalities.","Inorganic chemistry","2017","56","3","1094","1103","10.1021/acs.inorgchem.6b01929","","","0.71073","MoKα","","0.0655","0.0358","","","0.073","0.0786","","","","","","0.869","","","","has coordinates","192983","2020-10-21","18:00:00",""
"4345460","17.0217","0.0007","18.9206","0.0007","20.8104","0.0007","65.152","0.003","83.292","0.003","89.663","0.003","6033.2","0.4","120","2","120","2","","","","","","","","8","P -1","-P 1","2","","","","- C56 H99 Li N2 O4 P2 Si Ti -","- C56 H99 Li N2 O4 P2 Si Ti -","- C224 H396 Li4 N8 O16 P8 Si4 Ti4 -","4","2","","Ponikiewski, Ł; Ziółkowska, A; Pikies, J.","Reactions of Lithiated Diphosphanes R2P-P(SiMe3)Li (R = tBu and iPr) with [(Me)NacnacTiCl2·THF] and [(Me)NacnacTiCl3]. Formation and Structure of Titanium(III) and Titanium(IV) β-Diketiminato Complexes Bearing the Side-on Phosphanylphosphido and Phosphanylphosphinidene Functionalities.","Inorganic chemistry","2017","56","3","1094","1103","10.1021/acs.inorgchem.6b01929","","","0.71073","MoKα","","0.1629","0.0918","","","0.2526","0.3304","","","","","","1.049","","","","has coordinates","192983","2020-10-21","18:00:00",""
"4345461","3.875","0.002","3.875","0.002","3.875","0.002","90","","90","","90","","58.19","0.05","293","2","293","2","","","","","","","","3","P m -3 m","-P 4 2 3","221","kappa manganese aluminum carbide","","","- C0.97 Al0.89 Mn3.11 -","- C0.97 Al0.891 Mn3.109 -","- C0.97 Al0.891 Mn3.109 -","1","0.0208333","","Dierkes, Hannes; van Leusen, Jan; Bogdanovski, Dimitri; Dronskowski, Richard","Synthesis, Crystal Structure, Magnetic Properties, and Stability of the Manganese-Rich ""Mn3AlC"" κ Phase.","Inorganic chemistry","2017","56","3","1045","1048","10.1021/acs.inorgchem.6b02816","","","0.71073","MoKα","","0.0214","0.0212","","","0.0552","0.0552","","","","","","1.095","","","","has coordinates","192984","2020-10-21","18:00:00",""
"4345462","19.676","0.003","19.676","0.003","19.3","0.004","90","","90","","120","","6470.9","1.9","293.15","","293.15","","","","","","","","","6","R -3","-R 3","148","","","","- C48 H30 Cd6 N12 O33 S7 -","- C48 H24 Cd6 N12 O33 S7 -","- C144 H72 Cd18 N36 O99 S21 -","3","","","Cheng, Qing; Han, Xiao; Tong, Yue; Huang, Chao; Ding, Jie; Hou, Hongwei","Two 3D Cd(II) Metal-Organic Frameworks Linked by Benzothiadiazole Dicarboxylates: Fantastic S@Cd6 Cage, Benzothiadiazole Antidimmer, and Dual Emission.","Inorganic chemistry","2017","56","3","1696","1705","10.1021/acs.inorgchem.6b02863","","","0.71073","MoKα","","0.0416","0.0366","","","0.0906","0.0943","","","","","","1.08","","","","has coordinates","192985","2020-10-21","18:00:00",""
"4345463","13.0932","0.0009","18.0034","0.0008","12.9943","0.0009","90","","119.199","0.008","90","","2673.8","0.4","93","2","93","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C52 H72 Fe2 N8 Si2 -","- C52 H72 Fe2 N8 Si2 -","- C104 H144 Fe4 N16 Si4 -","2","0.5","","Reesbeck, Megan E.; Grubel, Katarzyna; Kim, Daniel; Brennessel, William W.; Mercado, Brandon Q.; Holland, Patrick L.","Diazoalkanes in Low-Coordinate Iron Chemistry: Bimetallic Diazoalkyl and Alkylidene Complexes of Iron(II).","Inorganic chemistry","2017","56","3","1019","1022","10.1021/acs.inorgchem.6b01952","","","0.71075","MoKα","","0.0757","0.057","","","0.1208","0.1295","","","","","","1.058","","","","has coordinates,has disorder","192986","2020-10-21","18:00:00",""
"4345464","13.636","0.003","19.559","0.004","20.459","0.004","90","","101.809","0.004","90","","5341.1","1.9","100","0.5","100","0.5","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","holkg26","","","- C55.5 H82 Fe2 N4 Si -","- C55.5 H82 Fe2 N4 Si -","- C222 H328 Fe8 N16 Si4 -","4","1","","Reesbeck, Megan E.; Grubel, Katarzyna; Kim, Daniel; Brennessel, William W.; Mercado, Brandon Q.; Holland, Patrick L.","Diazoalkanes in Low-Coordinate Iron Chemistry: Bimetallic Diazoalkyl and Alkylidene Complexes of Iron(II).","Inorganic chemistry","2017","56","3","1019","1022","10.1021/acs.inorgchem.6b01952","","","0.71073","MoKα","","0.2221","0.0755","","","0.1187","0.1635","","","","","","0.974","","","","has coordinates,has disorder","192987","2020-10-21","18:00:00",""
"4345465","14.573","0.005","17.493","0.005","20.244","0.005","90","","90","","90","","5161","3","100","0.5","100","0.5","","","","","","","","5","P c c n","-P 2ab 2ac","56","holkg27","","","- C54 H70 Fe2 N4 Si -","- C54 H70 Fe2 N4 Si -","- C216 H280 Fe8 N16 Si4 -","4","0.5","","Reesbeck, Megan E.; Grubel, Katarzyna; Kim, Daniel; Brennessel, William W.; Mercado, Brandon Q.; Holland, Patrick L.","Diazoalkanes in Low-Coordinate Iron Chemistry: Bimetallic Diazoalkyl and Alkylidene Complexes of Iron(II).","Inorganic chemistry","2017","56","3","1019","1022","10.1021/acs.inorgchem.6b01952","","","0.71069","MoKα","","0.0792","0.0487","","","0.1314","0.1504","","","","","","1.056","","","","has coordinates,has disorder","192988","2020-10-21","18:00:00",""
"4345466","11.2308","0.0017","11.5081","0.0017","12.0683","0.0018","71.032","0.003","66.46","0.003","64.951","0.003","1272.4","0.3","100","0.5","100","0.5","","","","","","","","5","P -1","-P 1","2","holkg30","","","- C52 H72 Fe2 N8 Si2 -","- C52 H72 Fe2 N8 Si2 -","- C52 H72 Fe2 N8 Si2 -","1","0.5","","Reesbeck, Megan E.; Grubel, Katarzyna; Kim, Daniel; Brennessel, William W.; Mercado, Brandon Q.; Holland, Patrick L.","Diazoalkanes in Low-Coordinate Iron Chemistry: Bimetallic Diazoalkyl and Alkylidene Complexes of Iron(II).","Inorganic chemistry","2017","56","3","1019","1022","10.1021/acs.inorgchem.6b01952","","","0.71073","MoKα","","0.1265","0.0707","","","0.1196","0.1418","","","","","","1.03","","","","has coordinates","192989","2020-10-21","18:00:00",""
"4345467","8.8213","0.0003","9.0761","0.0003","9.9917","0.0004","85.611","0.003","78.271","0.003","73.584","0.003","751.18","0.05","223","0.1","223","0.1","","","","","","","","6","P -1","-P 1","2","","","","- C12 H14 Cu F6 N4 P -","- C12 H14 Cu F6 N4 P -","- C24 H28 Cu2 F12 N8 P2 -","2","1","","Concia, Alda Lisa; Beccia, Maria Rosa; Orio, Maylis; Ferre, Francine Terra; Scarpellini, Marciela; Biaso, Frédéric; Guigliarelli, Bruno; Réglier, Marius; Simaan, A. Jalila","Copper Complexes as Bioinspired Models for Lytic Polysaccharide Monooxygenases.","Inorganic chemistry","2017","56","3","1023","1026","10.1021/acs.inorgchem.6b02165","","x-ray","1.54184","CuKα","","0.0326","0.03","","","0.0779","0.0801","","","","","","1.056","","","","has coordinates,has disorder","192990","2020-10-21","18:00:00",""
"4345468","8.1405","0.0003","10.3453","0.0004","11.6756","0.0004","85.809","0.003","83.461","0.003","84.995","0.003","971.17","0.06","293","2","293","2","","","","","","","","6","P -1","-P 1","2","","","","- C12 H18 Cl2 Cu N4 O10 -","- C12 H18 Cl2 Cu N4 O10 -","- C24 H36 Cl4 Cu2 N8 O20 -","2","1","","Concia, Alda Lisa; Beccia, Maria Rosa; Orio, Maylis; Ferre, Francine Terra; Scarpellini, Marciela; Biaso, Frédéric; Guigliarelli, Bruno; Réglier, Marius; Simaan, A. Jalila","Copper Complexes as Bioinspired Models for Lytic Polysaccharide Monooxygenases.","Inorganic chemistry","2017","56","3","1023","1026","10.1021/acs.inorgchem.6b02165","","x-ray","1.54184","CuKα","","0.0405","0.0362","","","0.0927","0.097","","","","","","1.036","","","","has coordinates","204144","2020-10-21","18:00:00",""
"4345469","8.8001","0.0003","10.4679","0.0003","11.3132","0.0003","84.583","0.002","79.429","0.003","83.371","0.003","1014.75","0.05","293","2","293","2","","","","","","","","6","P -1","-P 1","2","","","","- C14 H19 Cl2 Cu N5 O8 -","- C14 H19 Cl2 Cu N5 O8 -","- C28 H38 Cl4 Cu2 N10 O16 -","2","1","","Concia, Alda Lisa; Beccia, Maria Rosa; Orio, Maylis; Ferre, Francine Terra; Scarpellini, Marciela; Biaso, Frédéric; Guigliarelli, Bruno; Réglier, Marius; Simaan, A. Jalila","Copper Complexes as Bioinspired Models for Lytic Polysaccharide Monooxygenases.","Inorganic chemistry","2017","56","3","1023","1026","10.1021/acs.inorgchem.6b02165","","x-ray","1.54184","CuKα","","0.0363","0.0348","","","0.095","0.0966","","","","","","1.071","","","","has coordinates","192992","2020-10-21","18:00:00",""
"4345470","34.95","0.03","17.274","0.014","16.676","0.013","90","","90","","90","","10068","14","296","2","296.15","","","","","","","","","6","P m c n","-P 2n 2a","62","","","","- C62 H68 Er3 N18 O43 Zn6 -","- C62 H52 Er3 N18 O35 Zn6 -","- C248 H208 Er12 N72 O140 Zn24 -","4","0.5","","Feng, Xun; Feng, Yuquan; Guo, Nan; Sun, Yiling; Zhang, Tian; Ma, Lufang; Wang, Liya","Series d-f Heteronuclear Metal-Organic Frameworks: Color Tunability and Luminescent Probe with Switchable Properties.","Inorganic chemistry","2017","56","3","1713","1721","10.1021/acs.inorgchem.6b02851","","","0.71073","MoKα","","0.1277","0.0756","","","0.1868","0.2195","","","","","","1.016","","","","has coordinates,has disorder","192993","2020-10-21","18:00:00",""
"4345471","15.988","0.004","33.274","0.008","16.952","0.004","90","","90","","90","","9018","4","296","2","296","2","","","","","","","","6","P n m a","-P 2ac 2n","62","","","","- C62 H39 N18 O43 Yb3 Zn6 -","- C62 H39 N18 O43 Yb3 Zn6 -","- C248 H156 N72 O172 Yb12 Zn24 -","4","0.5","","Feng, Xun; Feng, Yuquan; Guo, Nan; Sun, Yiling; Zhang, Tian; Ma, Lufang; Wang, Liya","Series d-f Heteronuclear Metal-Organic Frameworks: Color Tunability and Luminescent Probe with Switchable Properties.","Inorganic chemistry","2017","56","3","1713","1721","10.1021/acs.inorgchem.6b02851","","","0.71073","MoKα","","0.0641","0.0436","","","0.1255","0.1377","","","","","","1.011","","","","has coordinates","192994","2020-10-21","18:00:00",""
"4345472","16.0539","0.0017","33.204","0.004","17.1178","0.0018","90","","90","","90","","9124.7","1.8","293","2","293","2","","","","","","","","6","P n m a","-P 2ac 2n","62","","","","- C62 H37 N18 O43 Tb3 Zn6 -","- C62 H37 N18 O43 Tb3 Zn6 -","- C248 H148 N72 O172 Tb12 Zn24 -","4","0.5","","Feng, Xun; Feng, Yuquan; Guo, Nan; Sun, Yiling; Zhang, Tian; Ma, Lufang; Wang, Liya","Series d-f Heteronuclear Metal-Organic Frameworks: Color Tunability and Luminescent Probe with Switchable Properties.","Inorganic chemistry","2017","56","3","1713","1721","10.1021/acs.inorgchem.6b02851","","","0.71073","MoKα","","0.1163","0.0627","","","0.1502","0.1741","","","","","","1.18","","","","has coordinates","192995","2020-10-21","18:00:00",""
"4345473","16.2825","0.0008","33.8405","0.0017","16.9649","0.0008","90","","90","","90","","9347.8","0.8","293","2","293","2","","","","","","","","6","P n m a","-P 2ac 2n","62","","","","- C62 H37 Eu3 N18 O49 Zn6 -","- C62 H37 Eu3 N18 O49 Zn6 -","- C248 H148 Eu12 N72 O196 Zn24 -","4","0.5","","Feng, Xun; Feng, Yuquan; Guo, Nan; Sun, Yiling; Zhang, Tian; Ma, Lufang; Wang, Liya","Series d-f Heteronuclear Metal-Organic Frameworks: Color Tunability and Luminescent Probe with Switchable Properties.","Inorganic chemistry","2017","56","3","1713","1721","10.1021/acs.inorgchem.6b02851","","","0.71073","MoKα","","0.0764","0.0546","","","0.1567","0.1749","","","","","","1.251","","","","has coordinates","192996","2020-10-21","18:00:00",""
"4345474","7.861","0.005","9.523","0.005","15.901","0.005","79.092","0.005","76.637","0.005","66.689","0.005","1057.2","0.9","298","2","298","2","","","","","","","","6","P -1","-P 1","2","","","","- C20 H20 N2 O9 S Zn -","- C20 H20 N2 O9 S Zn -","- C40 H40 N4 O18 S2 Zn2 -","2","1","","Maity, Dilip Kumar; Otake, Kenichi; Ghosh, Saheli; Kitagawa, Hiroshi; Ghoshal, Debajyoti","Sulfonic Group Functionalized Mixed Ligand Coordination Polymers: Synthesis, Characterization, Water Sorption, and Proton Conduction Studies.","Inorganic chemistry","2017","56","3","1581","1590","10.1021/acs.inorgchem.6b02674","","","0.71073","MoKα","","0.0344","0.0286","","","0.0739","0.0769","","","","","","1.059","","","","has coordinates","192997","2020-10-21","18:00:00",""
"4345475","11.728","0.005","6.853","0.005","20.166","0.005","90","0.005","92.328","0.005","90","0.005","1619.4","1.4","298","2","298","2","","","","","","","","6","I 1 2/m 1","-I 2y","12","","","","- C12 H14 Cu N2 O10 S -","- C12 H14 Cu N2 O10 S -","- C48 H56 Cu4 N8 O40 S4 -","4","0.5","","Maity, Dilip Kumar; Otake, Kenichi; Ghosh, Saheli; Kitagawa, Hiroshi; Ghoshal, Debajyoti","Sulfonic Group Functionalized Mixed Ligand Coordination Polymers: Synthesis, Characterization, Water Sorption, and Proton Conduction Studies.","Inorganic chemistry","2017","56","3","1581","1590","10.1021/acs.inorgchem.6b02674","","","0.71073","MoKα","","0.0433","0.0372","","","0.0977","0.1018","","","","","","1.065","","","","has coordinates","209173","2020-10-21","18:00:00",""
"4345476","9.272","0.005","10.787","0.005","13.409","0.005","106.404","0.005","99.515","0.005","100.001","0.005","1233.9","1","298","2","298","2","","","","","","","","6","P -1","-P 1","2","","","","- C20 H20 Cu N2 O13 S -","- C20 H20 Cu N2 O13 S -","- C40 H40 Cu2 N4 O26 S2 -","2","1","","Maity, Dilip Kumar; Otake, Kenichi; Ghosh, Saheli; Kitagawa, Hiroshi; Ghoshal, Debajyoti","Sulfonic Group Functionalized Mixed Ligand Coordination Polymers: Synthesis, Characterization, Water Sorption, and Proton Conduction Studies.","Inorganic chemistry","2017","56","3","1581","1590","10.1021/acs.inorgchem.6b02674","","","0.71073","MoKα","","0.0535","0.0455","","","0.1261","0.1318","","","","","","1.044","","","","has coordinates","192997","2020-10-21","18:00:00",""
"4345477","24.024","0.005","11.135","0.005","16.298","0.005","90","0.005","107.004","0.005","90","0.005","4169","2","298","2","298","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C18 H16 Cu N2 O10 S -","- C18 H16 Cu N2 O10 S -","- C144 H128 Cu8 N16 O80 S8 -","8","1","","Maity, Dilip Kumar; Otake, Kenichi; Ghosh, Saheli; Kitagawa, Hiroshi; Ghoshal, Debajyoti","Sulfonic Group Functionalized Mixed Ligand Coordination Polymers: Synthesis, Characterization, Water Sorption, and Proton Conduction Studies.","Inorganic chemistry","2017","56","3","1581","1590","10.1021/acs.inorgchem.6b02674","","","0.71073","MoKα","","0.0452","0.0417","","","0.1374","0.1412","","","","","","1.063","","","","has coordinates","192997","2020-10-21","18:00:00",""
"4345478","17.8191","0.0004","11.0557","0.0004","22.3316","0.0007","90","","112.858","0.003","90","","4053.9","0.2","298","2","298","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C36 H30 Cu N4 O20 S2 -","- C36 H30 Cu N4 O20 S2 -","- C144 H120 Cu4 N16 O80 S8 -","4","0.5","","Maity, Dilip Kumar; Otake, Kenichi; Ghosh, Saheli; Kitagawa, Hiroshi; Ghoshal, Debajyoti","Sulfonic Group Functionalized Mixed Ligand Coordination Polymers: Synthesis, Characterization, Water Sorption, and Proton Conduction Studies.","Inorganic chemistry","2017","56","3","1581","1590","10.1021/acs.inorgchem.6b02674","","","0.71073","MoKα","","0.1482","0.1073","","","0.2472","0.2782","","","","","","1.027","","","","has coordinates","192997","2020-10-21","18:00:00",""
"4345479","16.6467","0.0004","15.3031","0.0004","24.6547","0.0006","90","","96.271","0.001","90","","6243.1","0.3","150","2","150","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C65.4 H73.4 Mo2 N2 O7 S0.3 -","- C65.4 H73.4 Mo2 N2 O7 S0.3 -","- C261.6 H293.6 Mo8 N8 O28 S1.2 -","4","1","","Jiang, Changcheng; Young, Philip J.; Brown-Xu, Samantha; Gallucci, Judith C.; Chisholm, Malcolm H.","Femtosecond Study of Dimolybdenum Paddlewheel Compounds with Amide/Thioamide Ligands: Symmetry, Electronic Structure, and Charge Distribution in the (1)MLCT S1 State.","Inorganic chemistry","2017","56","3","1433","1445","10.1021/acs.inorgchem.6b02517","","x-ray","0.71073","MoKα","","0.0546","0.0365","","","0.0878","0.0966","","","","","","1.031","","","","has coordinates,has disorder","192998","2020-10-21","18:00:00",""
"4345480","17.669","0.004","10.41","0.002","17.024","0.003","90","","111.44","0.03","90","","2914.6","1.2","110","2","110","","","","","","","","","6","C 1 c 1","C -2yc","9","trichloro[tris(3,5-dimethylpyrazolyl)borato]titanate(III)","","","- C23 H42 B Cl3 N7 Ti -","- C23 H42 B Cl3 N7 Ti -","- C92 H168 B4 Cl12 N28 Ti4 -","4","1","","Brown, Andrew; Saber, Mohamed; Van den Heuvel, Willem; Schulte, Kelsey; Soncini, Alessandro; Dunbar, Kim R.","Titanium(III) Member of the Family of Trigonal Building Blocks with Scorpionate and Cyanide Ligands.","Inorganic chemistry","2017","56","3","1031","1035","10.1021/acs.inorgchem.6b02643","","","0.71073","MoKα","","0.0919","0.0652","","","0.1563","0.174","","","","","","0.973","","","","has coordinates","192999","2020-10-21","18:00:00",""
"4345481","20.462","0.004","10.763","0.002","25.135","0.005","90","","97.57","0.03","90","","5487.3","1.9","","","110","","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C22.5 H33 B Cl2 N9 Ti -","- C22.5 H33 B Cl2 N9 Ti -","- C180 H264 B8 Cl16 N72 Ti8 -","8","1","","Brown, Andrew; Saber, Mohamed; Van den Heuvel, Willem; Schulte, Kelsey; Soncini, Alessandro; Dunbar, Kim R.","Titanium(III) Member of the Family of Trigonal Building Blocks with Scorpionate and Cyanide Ligands.","Inorganic chemistry","2017","56","3","1031","1035","10.1021/acs.inorgchem.6b02643","","x-ray","0.71073","MoKα","","0.0604","0.0401","","","0.101","0.1128","","","","","","1.0733","","","","has coordinates,has disorder","193000","2020-10-21","18:00:00",""
"4345482","14.055","0.009","20.208","0.013","7.933","0.005","90","","90","","90","","2253","2","130","2","130","2","","","","","","","","4","P n m a","-P 2ac 2n","62","","","","- C22 H32 Mo2 O6 -","- C22 H32 Mo2 O6 -","- C88 H128 Mo8 O24 -","4","0.5","","Neary, Michelle C.; Parkin, Gerard","Reactivity of Cyclopentadienyl Molybdenum Compounds towards Formic Acid: Structural Characterization of CpMo(PMe3)(CO)2H, CpMo(PMe3)2(CO)H, [CpMo(μ-O)(μ-O2CH)]2, and [Cp*Mo(μ-O)(μ-O2CH)]2.","Inorganic chemistry","2017","56","3","1511","1523","10.1021/acs.inorgchem.6b02606","","","0.71073","MoKα","","0.0855","0.058","","","0.1267","0.1372","","","","","","1.206","","","","has coordinates,has disorder","193001","2020-10-21","18:00:00",""
"4345483","19.104","0.01","6.102","0.003","12.999","0.007","90","","122.78","0.006","90","","1274","1.1","130","2","130","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C12 H12 Mo2 O6 -","- C12 H12 Mo2 O6 -","- C48 H48 Mo8 O24 -","4","0.5","","Neary, Michelle C.; Parkin, Gerard","Reactivity of Cyclopentadienyl Molybdenum Compounds towards Formic Acid: Structural Characterization of CpMo(PMe3)(CO)2H, CpMo(PMe3)2(CO)H, [CpMo(μ-O)(μ-O2CH)]2, and [Cp*Mo(μ-O)(μ-O2CH)]2.","Inorganic chemistry","2017","56","3","1511","1523","10.1021/acs.inorgchem.6b02606","","","0.71073","MoKα","","0.0435","0.0347","","","0.0827","0.086","","","","","","1.079","","","","has coordinates","193002","2020-10-21","18:00:00",""
"4345484","14.2974","0.0013","9.5684","0.0008","12.3878","0.0011","90","","111.833","0.001","90","","1573.1","0.2","130","2","130","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C12 H24 Mo O P2 -","- C12 H24 Mo O P2 -","- C48 H96 Mo4 O4 P8 -","4","1","","Neary, Michelle C.; Parkin, Gerard","Reactivity of Cyclopentadienyl Molybdenum Compounds towards Formic Acid: Structural Characterization of CpMo(PMe3)(CO)2H, CpMo(PMe3)2(CO)H, [CpMo(μ-O)(μ-O2CH)]2, and [Cp*Mo(μ-O)(μ-O2CH)]2.","Inorganic chemistry","2017","56","3","1511","1523","10.1021/acs.inorgchem.6b02606","","","0.71073","MoKα","","0.0363","0.0273","","","0.0619","0.066","","","","","","1.072","","","","has coordinates","193003","2020-10-21","18:00:00",""
"4345485","8.4275","0.0017","12.152","0.002","12.291","0.002","90","","104.671","0.003","90","","1217.7","0.4","130","2","130","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C10 H15 Mo O2 P -","- C10 H15 Mo O2 P -","- C40 H60 Mo4 O8 P4 -","4","1","","Neary, Michelle C.; Parkin, Gerard","Reactivity of Cyclopentadienyl Molybdenum Compounds towards Formic Acid: Structural Characterization of CpMo(PMe3)(CO)2H, CpMo(PMe3)2(CO)H, [CpMo(μ-O)(μ-O2CH)]2, and [Cp*Mo(μ-O)(μ-O2CH)]2.","Inorganic chemistry","2017","56","3","1511","1523","10.1021/acs.inorgchem.6b02606","","","0.71073","MoKα","","0.0304","0.0265","","","0.0597","0.0629","","","","","","1.082","","","","has coordinates","193004","2020-10-21","18:00:00",""
"4345486","15.909","0.002","8.1697","0.0012","18.561","0.003","90","","97.482","0.01","90","","2391.9","0.6","293","2","293","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C18 H23 Cl4 N3 O2 Pt S -","- C18 H23 Cl4 N3 O2 Pt S -","- C72 H92 Cl16 N12 O8 Pt4 S4 -","4","1","","Intini, Francesco Paolo; Zajac, Juraj; Novohradsky, Vojtech; Saltarella, Teresa; Pacifico, Concetta; Brabec, Viktor; Natile, Giovanni; Kasparkova, Jana","Novel Antitumor Platinum(II) Conjugates Containing the Nonsteroidal Anti-inflammatory Agent Diclofenac: Synthesis and Dual Mechanisms of Antiproliferative Effects.","Inorganic chemistry","2017","56","3","1483","1497","10.1021/acs.inorgchem.6b02553","","","0.71073","MoKα","","0.1671","0.0835","","","0.1814","0.2229","","","","","","0.995","","","","has coordinates","193005","2020-10-21","18:00:00",""
"4345487","22.7406","0.0008","11.3119","0.0004","22.0638","0.0008","90","","120.489","0.002","90","","4890.9","0.3","100","2","100","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C44 H48 N2 O10 P2 Pt6 -","- C44 H48 N2 O10 P2 Pt6 -","- C176 H192 N8 O40 P8 Pt24 -","4","0.5","","Cesari, Cristiana; Ciabatti, Iacopo; Femoni, Cristina; Iapalucci, Maria Carmela; Mancini, Federica; Zacchini, Stefano","Heteroleptic Chini-Type Platinum Clusters: Synthesis and Characterization of Bis-Phospine Derivatives of [Pt3n(CO)6n](2-) (n = 2-4).","Inorganic chemistry","2017","56","3","1655","1668","10.1021/acs.inorgchem.6b02750","","","0.71073","MoKα","","0.0282","0.0218","","","0.0433","0.0451","","","","","","1.102","","","","has coordinates","193006","2020-10-21","18:00:00",""
"4345488","25.258","0.0007","11.217","0.0003","21.8096","0.0006","90","","116.1","0.001","90","","5549","0.3","100","2","100","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C52 H64 N2 O10 P2 Pt6 -","- C52 H64 N2 O10 P2 Pt6 -","- C208 H256 N8 O40 P8 Pt24 -","4","0.5","","Cesari, Cristiana; Ciabatti, Iacopo; Femoni, Cristina; Iapalucci, Maria Carmela; Mancini, Federica; Zacchini, Stefano","Heteroleptic Chini-Type Platinum Clusters: Synthesis and Characterization of Bis-Phospine Derivatives of [Pt3n(CO)6n](2-) (n = 2-4).","Inorganic chemistry","2017","56","3","1655","1668","10.1021/acs.inorgchem.6b02750","","","0.71073","MoKα","","0.0715","0.0479","","","0.1115","0.1261","","","","","","1.119","","","","has coordinates","193006","2020-10-21","18:00:00",""
"4345489","29.341","0.006","14.916","0.003","17.883","0.004","90","","90","","90","","7827","3","291","2","291","2","","","","","","","","6","P n a 21","P 2c -2n","33","","","","- C64 H76 N2 O18 P2 Pt9 -","- C64 H76 N2 O18 P2 Pt9 -","- C256 H304 N8 O72 P8 Pt36 -","4","1","","Cesari, Cristiana; Ciabatti, Iacopo; Femoni, Cristina; Iapalucci, Maria Carmela; Mancini, Federica; Zacchini, Stefano","Heteroleptic Chini-Type Platinum Clusters: Synthesis and Characterization of Bis-Phospine Derivatives of [Pt3n(CO)6n](2-) (n = 2-4).","Inorganic chemistry","2017","56","3","1655","1668","10.1021/acs.inorgchem.6b02750","","","0.71073","MoKα","","0.0644","0.0392","","","0.0765","0.085","","","","","","1.025","","","","has coordinates","193006","2020-10-21","18:00:00",""
"4345490","13.4798","0.0005","13.9719","0.0006","14.6962","0.0006","95.293","0.002","104.089","0.002","112.579","0.002","2424.94","0.18","100","2","100","2","","","","","","","","6","P -1","-P 1","2","","","","- C94 H83 N3 O20 P4 Pt12 -","- C94 H83 N3 O20 P4 Pt12 -","- C94 H83 N3 O20 P4 Pt12 -","1","0.5","","Cesari, Cristiana; Ciabatti, Iacopo; Femoni, Cristina; Iapalucci, Maria Carmela; Mancini, Federica; Zacchini, Stefano","Heteroleptic Chini-Type Platinum Clusters: Synthesis and Characterization of Bis-Phospine Derivatives of [Pt3n(CO)6n](2-) (n = 2-4).","Inorganic chemistry","2017","56","3","1655","1668","10.1021/acs.inorgchem.6b02750","","","0.71073","MoKα","","0.0788","0.0508","","","0.1369","0.1625","","","","","","1.053","","","","has coordinates,has disorder","193006","2020-10-21","18:00:00",""
"4345491","13.3433","0.0004","13.8993","0.0004","14.5522","0.0004","95.896","0.002","103.899","0.002","113.071","0.001","2351.05","0.12","100","2","100","2","","","","","","","","6","P -1","-P 1","2","","","","- C84 H78 N4 O20 P4 Pt12 -","- C84 H78 N4 O20 P4 Pt12 -","- C84 H78 N4 O20 P4 Pt12 -","1","0.5","","Cesari, Cristiana; Ciabatti, Iacopo; Femoni, Cristina; Iapalucci, Maria Carmela; Mancini, Federica; Zacchini, Stefano","Heteroleptic Chini-Type Platinum Clusters: Synthesis and Characterization of Bis-Phospine Derivatives of [Pt3n(CO)6n](2-) (n = 2-4).","Inorganic chemistry","2017","56","3","1655","1668","10.1021/acs.inorgchem.6b02750","","","0.71073","MoKα","","0.0472","0.0355","","","0.0775","0.0826","","","","","","1.047","","","","has coordinates,has disorder","193006","2020-10-21","18:00:00",""
"4345492","12.8023","0.0002","34.8688","0.0006","20.713","0.0004","90","","98.828","0.001","90","","9136.8","0.3","100","2","100","2","","","","","","","","6","C 1 c 1","C -2yc","9","","","","- C82 H62 N2 O26 P4 Pt13 -","- C82 H62 N2 O26 P4 Pt13 -","- C328 H248 N8 O104 P16 Pt52 -","4","1","","Cesari, Cristiana; Ciabatti, Iacopo; Femoni, Cristina; Iapalucci, Maria Carmela; Mancini, Federica; Zacchini, Stefano","Heteroleptic Chini-Type Platinum Clusters: Synthesis and Characterization of Bis-Phospine Derivatives of [Pt3n(CO)6n](2-) (n = 2-4).","Inorganic chemistry","2017","56","3","1655","1668","10.1021/acs.inorgchem.6b02750","","","0.71073","MoKα","","0.0322","0.0273","","","0.0606","0.0625","","","","","","1.019","","","","has coordinates","193006","2020-10-21","18:00:00",""
"4345493","13.2249","0.0002","13.4846","0.0002","18.7808","0.0003","79.974","0.001","71.744","0.001","67.404","0.001","2930.97","0.08","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","","","- C64 H64 O6 P4 Pt4 -","- C64 H64 O6 P4 Pt4 -","- C128 H128 O12 P8 Pt8 -","2","1","","Cesari, Cristiana; Ciabatti, Iacopo; Femoni, Cristina; Iapalucci, Maria Carmela; Mancini, Federica; Zacchini, Stefano","Heteroleptic Chini-Type Platinum Clusters: Synthesis and Characterization of Bis-Phospine Derivatives of [Pt3n(CO)6n](2-) (n = 2-4).","Inorganic chemistry","2017","56","3","1655","1668","10.1021/acs.inorgchem.6b02750","","","0.71073","MoKα","","0.0504","0.0318","","","0.0636","0.0699","","","","","","1.023","","","","has coordinates,has disorder","193006","2020-10-21","18:00:00",""
"4345494","14.6912","0.0009","17.7718","0.0011","14.7316","0.0009","90","","94.221","0.004","90","","3835.8","0.4","100","2","100","2","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C65 H78 N2 O18 P2 Pt9 -","- C65 H78 N2 O18 P2 Pt9 -","- C130 H156 N4 O36 P4 Pt18 -","2","1","","Cesari, Cristiana; Ciabatti, Iacopo; Femoni, Cristina; Iapalucci, Maria Carmela; Mancini, Federica; Zacchini, Stefano","Heteroleptic Chini-Type Platinum Clusters: Synthesis and Characterization of Bis-Phospine Derivatives of [Pt3n(CO)6n](2-) (n = 2-4).","Inorganic chemistry","2017","56","3","1655","1668","10.1021/acs.inorgchem.6b02750","","","0.71073","MoKα","","0.0903","0.0566","","","0.1336","0.156","","","","","","0.989","","","","has coordinates,has disorder","193006","2020-10-21","18:00:00",""
"4345495","9.9225","0.0004","20.8279","0.0009","22.0699","0.0009","90","","90.396","0.002","90","","4561","0.3","100","2","100","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C53 H50 Cl2 P4 Pt -","- C53 H50 Cl2 P4 Pt -","- C212 H200 Cl8 P16 Pt4 -","4","1","","Cesari, Cristiana; Ciabatti, Iacopo; Femoni, Cristina; Iapalucci, Maria Carmela; Mancini, Federica; Zacchini, Stefano","Heteroleptic Chini-Type Platinum Clusters: Synthesis and Characterization of Bis-Phospine Derivatives of [Pt3n(CO)6n](2-) (n = 2-4).","Inorganic chemistry","2017","56","3","1655","1668","10.1021/acs.inorgchem.6b02750","","","0.71073","MoKα","","0.0342","0.028","","","0.0689","0.0726","","","","","","1.018","","","","has coordinates","193006","2020-10-21","18:00:00",""
"4345496","15.3436","0.0005","15.7219","0.0006","18.4766","0.0007","92.72","0.002","98.368","0.002","98.969","0.002","4344.5","0.3","100","2","100","2","","","","","","","","6","P -1","-P 1","2","","","","- C87 H78 Cl6 O6 P6 Pt6 -","- C87 H78 Cl6 O6 P6 Pt6 -","- C174 H156 Cl12 O12 P12 Pt12 -","2","1","","Cesari, Cristiana; Ciabatti, Iacopo; Femoni, Cristina; Iapalucci, Maria Carmela; Mancini, Federica; Zacchini, Stefano","Heteroleptic Chini-Type Platinum Clusters: Synthesis and Characterization of Bis-Phospine Derivatives of [Pt3n(CO)6n](2-) (n = 2-4).","Inorganic chemistry","2017","56","3","1655","1668","10.1021/acs.inorgchem.6b02750","","","0.71073","MoKα","","0.0514","0.0377","","","0.0808","0.087","","","","","","1.017","","","","has coordinates","193006","2020-10-21","18:00:00",""
"4345497","8.6646","0.0003","22.9611","0.0007","14.5027","0.0005","90","","102.904","0.003","90","","2812.43","0.17","100","","100","","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C14 H13 Cu N2 O6.5 -","- C14 H13 Cu N2 O6.5 -","- C112 H104 Cu8 N16 O52 -","8","2","","Boča, Roman; Rajnák, Cyril; Titiš, Ján; Valigura, Dušan","Field Supported Slow Magnetic Relaxation in a Mononuclear Cu(II) Complex.","Inorganic chemistry","2017","56","3","1478","1482","10.1021/acs.inorgchem.6b02535","","","1.54186","CuKα","","0.0302","0.0266","","","0.0731","0.0745","","","","","","1.041","","","","has coordinates","254024","2020-10-21","18:00:00",""
"4345498","15.2642","0.0005","10.917","0.0003","17.0452","0.0005","90","","115.089","0.001","90","","2572.41","0.14","100","1","100","1","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C18 H39 Cl2 Co N O4 S3 -","- C18 H39 Cl2 Co N O4 S3 -","- C72 H156 Cl8 Co4 N4 O16 S12 -","4","1","","Shao, Feng; Cahier, Benjamin; Rivière, Eric; Guillot, Régis; Guihéry, Nathalie; Campbell, Victoria E.; Mallah, Talal","Structural Dependence of the Ising-type Magnetic Anisotropy and of the Relaxation Time in Mononuclear Trigonal Bipyramidal Co(II) Single Molecule Magnets.","Inorganic chemistry","2017","56","3","1104","1111","10.1021/acs.inorgchem.6b01966","","","0.71073","MoKα","","0.0559","0.0367","","","0.0732","0.0811","","","","","","1.044","","","","has coordinates","193008","2020-10-21","18:00:00",""
"4345499","15.8788","0.0013","28.594","0.002","11.716","0.0009","90","","96.219","0.003","90","","5288.2","0.7","100","1","100","1","","","","","","","","8","P 1 21/c 1","-P 2ybc","14","","","","- C18 H39 Br Cl Co N O4 S3 -","- C18 H39 Br Cl Co N O4 S3 -","- C144 H312 Br8 Cl8 Co8 N8 O32 S24 -","8","2","","Shao, Feng; Cahier, Benjamin; Rivière, Eric; Guillot, Régis; Guihéry, Nathalie; Campbell, Victoria E.; Mallah, Talal","Structural Dependence of the Ising-type Magnetic Anisotropy and of the Relaxation Time in Mononuclear Trigonal Bipyramidal Co(II) Single Molecule Magnets.","Inorganic chemistry","2017","56","3","1104","1111","10.1021/acs.inorgchem.6b01966","","","0.71073","MoKα","","0.1206","0.0938","","","0.2083","0.2224","","","","","","1.131","","","","has coordinates","193009","2020-10-21","18:00:00",""
"4345500","9.3435","0.0011","22.187","0.003","13.8761","0.0017","90","","109.571","0.004","90","","2710.4","0.6","180","2","180","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C24 H44 O35 P8 Y2 -","- C24 H16 O35 P8 Y2 -","- C48 H32 O70 P16 Y4 -","2","0.5","","Firmino, Ana D. G.; Mendes, Ricardo F.; Antunes, Margarida M.; Barbosa, Paula C.; Vilela, Sérgio M F; Valente, Anabela A.; Figueiredo, Filipe M. L.; Tomé, João P C; Paz, Filipe A Almeida","Robust Multifunctional Yttrium-Based Metal-Organic Frameworks with Breathing Effect.","Inorganic chemistry","2017","56","3","1193","1208","10.1021/acs.inorgchem.6b02199","","","0.71073","MoKα","","0.0918","0.063","","","0.1713","0.1911","","","","","","1.067","","","","has coordinates,has disorder","193011","2020-10-21","18:00:00",""
"4345501","9.2453","0.0007","10.093","0.0008","11.778","0.0009","97.803","0.003","104.205","0.004","111.348","0.004","961","0.14","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","","","- C12 H13 O13 P4 Y -","- C12 H13 O13 P4 Y -","- C24 H26 O26 P8 Y2 -","2","1","","Firmino, Ana D. G.; Mendes, Ricardo F.; Antunes, Margarida M.; Barbosa, Paula C.; Vilela, Sérgio M F; Valente, Anabela A.; Figueiredo, Filipe M. L.; Tomé, João P C; Paz, Filipe A Almeida","Robust Multifunctional Yttrium-Based Metal-Organic Frameworks with Breathing Effect.","Inorganic chemistry","2017","56","3","1193","1208","10.1021/acs.inorgchem.6b02199","","","0.71073","MoKα","","0.0357","0.0278","","","0.0634","0.0662","","","","","","1.07","","","","has coordinates","193012","2020-10-21","18:00:00",""
"4345502","6.742","0.006","14.722","0.014","17.494","0.013","90","","90","","90","","1736","3","293","2","293","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C5 H6 Cd Cl3 N -","- C5 H6 Cd Cl3 N -","- C40 H48 Cd8 Cl24 N8 -","8","1","","Sun, Xiao-Fen; Wang, Zhongxia; Li, Peng-Fei; Liao, Wei-Qiang; Ye, Heng-Yun; Zhang, Yi","Tunable Dielectric Responses Triggered by Dimensionality Modification in Organic-Inorganic Hybrid Phase Transition Compounds (C5H6N)CdnCl2n+1 (n = 1 and 2).","Inorganic chemistry","2017","56","6","3506","3511","10.1021/acs.inorgchem.6b03074","","","0.71073","MoKα","","0.0346","0.0273","","","0.083","0.0998","","","","","","1.317","","","","has coordinates","194820","2020-10-21","18:00:00",""
"4345503","6.7876","0.0014","7.3532","0.0015","17.718","0.004","90","","90","","90","","884.3","0.3","293","2","293","2","","","","","","","","5","A m m a","-A 2a 2a","63","","","","- C5 H6 Cd Cl3 N -","- C5 H6 Cd Cl3 N -","- C20 H24 Cd4 Cl12 N4 -","4","0.25","","Sun, Xiao-Fen; Wang, Zhongxia; Li, Peng-Fei; Liao, Wei-Qiang; Ye, Heng-Yun; Zhang, Yi","Tunable Dielectric Responses Triggered by Dimensionality Modification in Organic-Inorganic Hybrid Phase Transition Compounds (C5H6N)CdnCl2n+1 (n = 1 and 2).","Inorganic chemistry","2017","56","6","3506","3511","10.1021/acs.inorgchem.6b03074","","","0.71073","MoKα","","0.0544","0.0519","","","0.1153","0.1171","","","","","","1.111","","","","has coordinates","194820","2020-10-21","18:00:00",""
"4345504","10.262","0.002","15.262","0.003","3.8035","0.0008","90","","90","","90","","595.7","0.2","293","2","293","2","","","","","","","","5","P n m m","-P 2c 2bc","59","","","","- C5 H6 Cd2 Cl5 N -","- C5 H6 Cd2 Cl5 N -","- C10 H12 Cd4 Cl10 N2 -","2","","","Sun, Xiao-Fen; Wang, Zhongxia; Li, Peng-Fei; Liao, Wei-Qiang; Ye, Heng-Yun; Zhang, Yi","Tunable Dielectric Responses Triggered by Dimensionality Modification in Organic-Inorganic Hybrid Phase Transition Compounds (C5H6N)CdnCl2n+1 (n = 1 and 2).","Inorganic chemistry","2017","56","6","3506","3511","10.1021/acs.inorgchem.6b03074","","","0.71073","MoKα","","0.0213","0.0199","","","0.0462","0.0466","","","","","","1.179","","","","has coordinates","194820","2020-10-21","18:00:00",""
"4345505","20.19","0.05","15.23","0.04","3.793","0.009","90","","90","","90","","1166","5","293","2","293","2","","","","","","","","5","P n m a","-P 2ac 2n","62","","","","- C5 H6 Cd2 Cl5 N -","- C5 H6 Cd2 Cl5 N -","- C20 H24 Cd8 Cl20 N4 -","4","0.5","","Sun, Xiao-Fen; Wang, Zhongxia; Li, Peng-Fei; Liao, Wei-Qiang; Ye, Heng-Yun; Zhang, Yi","Tunable Dielectric Responses Triggered by Dimensionality Modification in Organic-Inorganic Hybrid Phase Transition Compounds (C5H6N)CdnCl2n+1 (n = 1 and 2).","Inorganic chemistry","2017","56","6","3506","3511","10.1021/acs.inorgchem.6b03074","","","0.71073","MoKα","","0.0565","0.0488","","","0.1274","0.1503","","","","","","1.16","","","","has coordinates","194820","2020-10-21","18:00:00",""
"4345506","9.888","0.003","10.582","0.003","12.887","0.004","111.712","0.008","90.526","0.008","114.312","0.008","1120.7","0.6","99","2","99","2","","","","","","","","7","P -1","-P 1","2","","","","- C21.5 H9 Ce Cl Mn N2 O9 -","- C21.5 H8 Ce Cl Mn N2 O9 -","- C43 H16 Ce2 Cl2 Mn2 N4 O18 -","2","1","","Li, Zhi; Pierri, Agustin E.; Huang, Po-Ju; Wu, Guang; Iretskii, Alexei V.; Ford, Peter C.","Dinuclear PhotoCORMs: Dioxygen-Assisted Carbon Monoxide Uncaging from Long-Wavelength-Absorbing Metal‒Metal-Bonded Carbonyl Complexes","Inorganic Chemistry","2017","","","","","10.1021/acs.inorgchem.6b03138","","","0.71073","MoKα","","0.0728","0.0603","","","0.1602","0.169","","","","","","1.053","","","","has coordinates,has disorder","193985","2020-10-21","18:00:00",""
"4345507","9.0494","0.0015","9.3772","0.0014","14.4945","0.0019","83.744","0.005","81.785","0.005","75.337","0.005","1174.3","0.3","100","2","100","2","","","","","","","","6","P -1","-P 1","2","","","","- C26 H12 Mn N2 O8 Re -","- C26 H12 Mn N2 O8 Re -","- C52 H24 Mn2 N4 O16 Re2 -","2","1","","Li, Zhi; Pierri, Agustin E.; Huang, Po-Ju; Wu, Guang; Iretskii, Alexei V.; Ford, Peter C.","Dinuclear PhotoCORMs: Dioxygen-Assisted Carbon Monoxide Uncaging from Long-Wavelength-Absorbing Metal‒Metal-Bonded Carbonyl Complexes","Inorganic Chemistry","2017","","","","","10.1021/acs.inorgchem.6b03138","","","0.71073","MoKα","","0.0491","0.0403","","","0.1025","0.1077","","","","","","0.998","","","","has coordinates","193986","2020-10-21","18:00:00",""
"4345508","9.0583","0.0005","13.878","0.0008","45.661","0.003","90","","90","","90","","5740.1","0.6","100","2","100","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C18 H8 Mn N2 O8 Re -","- C18 H8 Mn N2 O8 Re -","- C216 H96 Mn12 N24 O96 Re12 -","12","3","","Li, Zhi; Pierri, Agustin E.; Huang, Po-Ju; Wu, Guang; Iretskii, Alexei V.; Ford, Peter C.","Dinuclear PhotoCORMs: Dioxygen-Assisted Carbon Monoxide Uncaging from Long-Wavelength-Absorbing Metal‒Metal-Bonded Carbonyl Complexes","Inorganic Chemistry","2017","","","","","10.1021/acs.inorgchem.6b03138","","","0.71073","MoKα","","0.0795","0.0531","","","0.1118","0.1242","","","","","","0.933","","","","has coordinates","193987","2020-10-21","18:00:00",""
"4345509","9.6988","0.0009","11.1599","0.001","18.8156","0.0016","88.928","0.002","84.634","0.003","74.441","0.002","1953.3","0.3","100","2","100","2","","","","","","","","6","P -1","-P 1","2","","","","- C20 H8 Mn N2 O8 Re -","- C20 H8 Mn N2 O8 Re -","- C80 H32 Mn4 N8 O32 Re4 -","4","2","","Li, Zhi; Pierri, Agustin E.; Huang, Po-Ju; Wu, Guang; Iretskii, Alexei V.; Ford, Peter C.","Dinuclear PhotoCORMs: Dioxygen-Assisted Carbon Monoxide Uncaging from Long-Wavelength-Absorbing Metal‒Metal-Bonded Carbonyl Complexes","Inorganic Chemistry","2017","","","","","10.1021/acs.inorgchem.6b03138","","","0.71073","MoKα","","0.0429","0.0297","","","0.0612","0.066","","","","","","0.988","","","","has coordinates","193988","2020-10-21","18:00:00",""
"4345510","10.498","0.008","16.5","0.003","15.763","0.009","90","","128.04","0.002","90","","2150","2","223","2","223","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C15 H22 Cd N9 P -","- C15 H22 Cd N9 P -","- C60 H88 Cd4 N36 P4 -","4","1","","Zhou, Lin; Zheng, Xuan; Shi, Ping-Ping; Zafar, Zainab; Ye, Heng-Yun; Fu, Da-Wei; Ye, Qiong","Switchable Nonlinear Optical and Tunable Luminescent Properties Triggered by Multiple Phase Transitions in a Perovskite-Like Compound.","Inorganic chemistry","2017","56","6","3238","3244","10.1021/acs.inorgchem.6b02508","","","0.71073","MoKα","","0.14553","0.13489","","","0.3423","0.3447","","","","","","1.191","","","","has coordinates","194808","2020-10-21","18:00:00",""
"4345511","17.25","0.04","17.57","0.04","16.79","0.03","90","","90","","90","","5089","19","397","2","397","2","","","","","","","","4","I b a m","-I 2 2c","72","","","","- C60 Cd4 N36 P4 -","- C60 Cd4 N36 P4 -","- C120 Cd8 N72 P8 -","2","0.125","","Zhou, Lin; Zheng, Xuan; Shi, Ping-Ping; Zafar, Zainab; Ye, Heng-Yun; Fu, Da-Wei; Ye, Qiong","Switchable Nonlinear Optical and Tunable Luminescent Properties Triggered by Multiple Phase Transitions in a Perovskite-Like Compound.","Inorganic chemistry","2017","56","6","3238","3244","10.1021/acs.inorgchem.6b02508","","","0.71073","MoKα","","0.294","0.2197","","","0.433","0.4725","","","","","","1.159","","","","has coordinates","194808","2020-10-21","18:00:00",""
"4345512","17.056","0.004","16.624","0.004","17.063","0.004","90","","90","","90","","4838","2","427","2","427","2","","","","","","","","4","C m c e","-C 2ac 2","64","","","","- C60 Cd4 N36 P4 -","- C60 Cd4 N36 P4 -","- C120 Cd8 N72 P8 -","2","0.125","","Zhou, Lin; Zheng, Xuan; Shi, Ping-Ping; Zafar, Zainab; Ye, Heng-Yun; Fu, Da-Wei; Ye, Qiong","Switchable Nonlinear Optical and Tunable Luminescent Properties Triggered by Multiple Phase Transitions in a Perovskite-Like Compound.","Inorganic chemistry","2017","56","6","3238","3244","10.1021/acs.inorgchem.6b02508","","","0.71073","MoKα","","0.2103","0.2371","","","0.4338","0.4636","","","","","","1.137","","","","has coordinates","194808","2020-10-21","18:00:00",""
"4345513","7.6896","0.0015","18.267","0.004","12.396","0.003","90","","98.19","0.03","90","","1723.5","0.7","293","2","293","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","(2-methyl-4-phenanthridinyl)(8-quinolinyl)amine","","","- C23 H17 N3 -","- C23 H17 N3 -","- C92 H68 N12 -","4","1","","Mandapati, Pavan; Giesbrecht, Patrick K.; Davis, Rebecca L.; Herbert, David E.","Phenanthridine-Containing Pincer-like Amido Complexes of Nickel, Palladium, and Platinum.","Inorganic chemistry","2017","56","6","3674","3685","10.1021/acs.inorgchem.7b00075","","","0.71073","MoKα","","0.0746","0.0614","","","0.1738","0.1883","","","","","","1.034","","","","has coordinates","194804","2020-10-21","18:00:00",""
"4345514","15.7873","0.0005","7.273","0.0002","17.5934","0.0005","90","","90","","90","","2020.09","0.1","100","2","100","2","","","","","","","","3","P n a 21","P 2c -2n","33","bis(4-phenanthridinyl)amine","","","- C28 H21 N3 -","- C28 H21 N3 -","- C112 H84 N12 -","4","1","","Mandapati, Pavan; Giesbrecht, Patrick K.; Davis, Rebecca L.; Herbert, David E.","Phenanthridine-Containing Pincer-like Amido Complexes of Nickel, Palladium, and Platinum.","Inorganic chemistry","2017","56","6","3674","3685","10.1021/acs.inorgchem.7b00075","","","0.71073","MoKα","","0.0504","0.0404","","","0.0919","0.0996","","","","","","1.053","","","","has coordinates","194804","2020-10-21","18:00:00",""
"4345515","12.403","0.003","8.0029","0.0016","22.544","0.005","90","","92.99","0.03","90","","2234.7","0.9","293","2","293","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C24 H17 Cl4 N3 Ni -","- C24 H17 Cl4 N3 Ni -","- C96 H68 Cl16 N12 Ni4 -","4","1","","Mandapati, Pavan; Giesbrecht, Patrick K.; Davis, Rebecca L.; Herbert, David E.","Phenanthridine-Containing Pincer-like Amido Complexes of Nickel, Palladium, and Platinum.","Inorganic chemistry","2017","56","6","3674","3685","10.1021/acs.inorgchem.7b00075","","","0.71073","MoKα","","0.0778","0.0606","","","0.1627","0.1761","","","","","","1.035","","","","has coordinates","194804","2020-10-21","18:00:00",""
"4345516","6.9657","0.0002","12.2345","0.0004","14.0813","0.0005","71.5821","0.0019","87.3678","0.0019","81.6767","0.0019","1126.57","0.06","150","2","150","2","","","","","","","","5","P -1","-P 1","2","","","","- C24 H17 Cl4 N3 Pd -","- C24 H17 Cl4 N3 Pd -","- C48 H34 Cl8 N6 Pd2 -","2","1","","Mandapati, Pavan; Giesbrecht, Patrick K.; Davis, Rebecca L.; Herbert, David E.","Phenanthridine-Containing Pincer-like Amido Complexes of Nickel, Palladium, and Platinum.","Inorganic chemistry","2017","56","6","3674","3685","10.1021/acs.inorgchem.7b00075","","","0.71073","MoKα","","0.0882","0.0453","","","0.0635","0.0734","","","","","","1.015","","","","has coordinates","194804","2020-10-21","18:00:00",""
"4345517","6.9969","0.0002","12.2244","0.0003","14.0423","0.0004","71.584","0.001","87.527","0.002","81.842","0.001","1128.04","0.05","150","2","150","2","","","","","","","","5","P -1","-P 1","2","","","","- C24 H17 Cl4 N3 Pt -","- C24 H17 Cl4 N3 Pt -","- C48 H34 Cl8 N6 Pt2 -","2","1","","Mandapati, Pavan; Giesbrecht, Patrick K.; Davis, Rebecca L.; Herbert, David E.","Phenanthridine-Containing Pincer-like Amido Complexes of Nickel, Palladium, and Platinum.","Inorganic chemistry","2017","56","6","3674","3685","10.1021/acs.inorgchem.7b00075","","","0.71073","MoKα","","0.0398","0.0269","","","0.041","0.0438","","","","","","1.049","","","","has coordinates","194804","2020-10-21","18:00:00",""
"4345518","7.1408","0.001","13.36","0.0017","13.8752","0.0013","102.377","0.008","99.874","0.009","97","0.009","1256.4","0.3","150","2","150","2","","","","","","","","5","P -1","-P 1","2","","","","- C29 H21 Cl4 N3 Ni -","- C29 H21 Cl4 N3 Ni -","- C58 H42 Cl8 N6 Ni2 -","2","1","","Mandapati, Pavan; Giesbrecht, Patrick K.; Davis, Rebecca L.; Herbert, David E.","Phenanthridine-Containing Pincer-like Amido Complexes of Nickel, Palladium, and Platinum.","Inorganic chemistry","2017","56","6","3674","3685","10.1021/acs.inorgchem.7b00075","","","0.71073","MoKα","","0.0873","0.0479","","","0.0792","0.0888","","","","","","1.058","","","","has coordinates","194804","2020-10-21","18:00:00",""
"4345519","7.1119","0.0011","13.3648","0.0019","14.027","0.002","102.035","0.002","100.482","0.002","97.08","0.002","1264.1","0.3","150","2","150","2","","","","","","","","5","P -1","-P 1","2","","","","- C29 H21 Cl4 N3 Pd -","- C29 H21 Cl4 N3 Pd -","- C58 H42 Cl8 N6 Pd2 -","2","1","","Mandapati, Pavan; Giesbrecht, Patrick K.; Davis, Rebecca L.; Herbert, David E.","Phenanthridine-Containing Pincer-like Amido Complexes of Nickel, Palladium, and Platinum.","Inorganic chemistry","2017","56","6","3674","3685","10.1021/acs.inorgchem.7b00075","","","0.71073","MoKα","","0.1131","0.0552","","","0.0827","0.0973","","","","","","0.989","","","","has coordinates","194804","2020-10-21","18:00:00",""
"4345520","7.106","0.0003","13.4541","0.0005","14.0548","0.0005","101.356","0.0016","100.544","0.0016","98.51","0.0016","1271.34","0.09","150","2","150","2","","","","","","","","5","P -1","-P 1","2","","","","- C29 H21 Cl4 N3 Pt -","- C29 H21 Cl4 N3 Pt -","- C58 H42 Cl8 N6 Pt2 -","2","1","","Mandapati, Pavan; Giesbrecht, Patrick K.; Davis, Rebecca L.; Herbert, David E.","Phenanthridine-Containing Pincer-like Amido Complexes of Nickel, Palladium, and Platinum.","Inorganic chemistry","2017","56","6","3674","3685","10.1021/acs.inorgchem.7b00075","","","0.71073","MoKα","","0.027","0.0209","","","0.0419","0.0445","","","","","","1.137","","","","has coordinates","194804","2020-10-21","18:00:00",""
"4345521","17.2784","0.0005","18.9108","0.0007","21.14","0.0008","79.429","0.003","79.949","0.003","89.194","0.003","6684.9","0.4","173","2","173","2","","","","","","","","6","P -1","-P 1","2","","","","- C118.25 H169.25 Al4 Cu8 N8 Se8 -","- C118.25 H169.25 Al4 Cu8 N8 Se8 -","- C236.5 H338.5 Al8 Cu16 N16 Se16 -","2","1","","Li, Bin; Li, Jiancheng; Liu, Rui; Zhu, Hongping; Roesky, Herbert W.","Facile Route to Rare Heterobimetallic Aluminum-Copper and Aluminum-Zinc Selenide Clusters.","Inorganic chemistry","2017","56","6","3136","3139","10.1021/acs.inorgchem.7b00012","","","0.71073","MoKα","","0.0887","0.0541","","","0.1008","0.1118","","","","","","1.013","","","","has coordinates","194813","2020-10-21","18:00:00",""
"4345522","12.2584","0.0008","13.0961","0.0008","20.339","0.0013","97.925","0.003","101.671","0.003","98.39","0.003","3115.9","0.3","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","","","- C71 H82 O4 S2 Zr -","- C71 H82 O4 S2 Zr -","- C142 H164 O8 S4 Zr2 -","2","1","","Lapenta, Rosita; Buonerba, Antonio; De Nisi, Assunta; Monari, Magda; Grassi, Alfonso; Milione, Stefano; Capacchione, Carmine","Stereorigid OSSO-Type Group 4 Metal Complexes in the Ring-Opening Polymerization of rac-Lactide.","Inorganic chemistry","2017","56","6","3447","3458","10.1021/acs.inorgchem.6b02987","","","0.71073","MoKα","","0.0293","0.027","","","0.0675","0.0708","","","","","","1.067","","","","has coordinates,has disorder","194814","2020-10-21","18:00:00",""
"4345523","9.2374","0.0001","9.2374","0.0001","16.3302","0.0001","90","","90","","120","","1206.76","0.02","293","2","293","2","","","","","","","","4","P -3 1 c","-P 3 2c","163","","","","- Hg2.83 K Mo12 S14 -","- Hg2.824 K Mo12 S14 -","- Hg5.648 K2 Mo24 S28 -","2","0.166667","","Gougeon, Patrick; Gall, Philippe","Synthesis, Structure, and Electrical Properties of the Mo12 Cluster Sulfide Hg∼2.8KMo12S14 Containing Mercury Chains.","Inorganic chemistry","2017","56","6","3440","3446","10.1021/acs.inorgchem.6b02866","","","0.71073","MoKα","","0.0285","0.0253","","","0.056","0.0568","","","","","","1.268","","","","has coordinates","194821","2020-10-21","18:00:00",""
"4345524","14.1824","0.0002","21.4688","0.0002","12.25055","0.00017","90","","110.65","0.0016","90","","3490.39","0.08","296.44","0.1","296.44","0.1","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C27 H34 N13 O17 S U -","- C27 H34 N13 O17 S U -","- C108 H136 N52 O68 S4 U4 -","4","1","","Xie, Zhen-ni; Mei, Lei; Hu, Kong-qiu; Xia, Liang-shu; Chai, Zhi-fang; Shi, Wei-qun","Mixed-Ligand Uranyl Polyrotaxanes Incorporating a Sulfate/Oxalate Coligand: Achieving Structural Diversity via pH-Dependent Competitive Effect","Inorganic Chemistry","2017","","","","","10.1021/acs.inorgchem.6b02515","","","0.71073","MoKα","","0.0407","0.0264","","","0.0576","0.0642","","","","","","1.027","","","","has coordinates","194094","2020-10-21","18:00:00",""
"4345525","12.3767","0.0006","12.4099","0.0006","12.8991","0.0005","64.776","0.002","82.741","0.002","79.506","0.002","1759.68","0.14","304","2","304","2","","","","","","","","5","P -1","-P 1","2","","","","- C28 H28 N14 O17 U -","- C28 H28 N14 O17 U -","- C56 H56 N28 O34 U2 -","2","1","","Xie, Zhen-ni; Mei, Lei; Hu, Kong-qiu; Xia, Liang-shu; Chai, Zhi-fang; Shi, Wei-qun","Mixed-Ligand Uranyl Polyrotaxanes Incorporating a Sulfate/Oxalate Coligand: Achieving Structural Diversity via pH-Dependent Competitive Effect","Inorganic Chemistry","2017","","","","","10.1021/acs.inorgchem.6b02515","","","0.71073","MoKα","","0.0229","0.0208","","","0.0548","0.056","","","","","","1.086","","","","has coordinates,has disorder","194094","2020-10-21","18:00:00",""
"4345526","12.3634","0.0007","12.7236","0.0008","23.2444","0.0014","87.389","0.002","87.387","0.002","72.441","0.002","3480.6","0.4","291","2","291","2","","","","","","","","5","P -1","-P 1","2","","","","- C56 H56 N26 O23 U -","- C56 H56 N26 O23 U -","- C112 H112 N52 O46 U2 -","2","1","","Xie, Zhen-ni; Mei, Lei; Hu, Kong-qiu; Xia, Liang-shu; Chai, Zhi-fang; Shi, Wei-qun","Mixed-Ligand Uranyl Polyrotaxanes Incorporating a Sulfate/Oxalate Coligand: Achieving Structural Diversity via pH-Dependent Competitive Effect","Inorganic Chemistry","2017","","","","","10.1021/acs.inorgchem.6b02515","","","0.71073","MoKα","","0.0356","0.0317","","","0.0904","0.0928","","","","","","1.052","","","","has coordinates","194094","2020-10-21","18:00:00",""
"4345527","11.589","0.0019","12.452","0.002","16.987","0.003","97.075","0.008","109.271","0.007","104.827","0.007","2178.3","0.7","295","2","295","2","","","","","","","","5","P -1","-P 1","2","","","","- C31 H30 N13 O21 U2 -","- C31 H30 N13 O21 U2 -","- C62 H60 N26 O42 U4 -","2","1","","Xie, Zhen-ni; Mei, Lei; Hu, Kong-qiu; Xia, Liang-shu; Chai, Zhi-fang; Shi, Wei-qun","Mixed-Ligand Uranyl Polyrotaxanes Incorporating a Sulfate/Oxalate Coligand: Achieving Structural Diversity via pH-Dependent Competitive Effect","Inorganic Chemistry","2017","","","","","10.1021/acs.inorgchem.6b02515","","","0.71073","MoKα","","0.051","0.0381","","","0.0916","0.0964","","","","","","1.05","","","","has coordinates","194094","2020-10-21","18:00:00",""
"4345528","17.8932","0.0011","12.9624","0.0008","20.0984","0.0014","90","","111.563","0.002","90","","4335.4","0.5","291","2","291","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C28 H28 N13 O17 U2 -","- C28 H28 N13 O17 U2 -","- C112 H112 N52 O68 U8 -","4","1","","Xie, Zhen-ni; Mei, Lei; Hu, Kong-qiu; Xia, Liang-shu; Chai, Zhi-fang; Shi, Wei-qun","Mixed-Ligand Uranyl Polyrotaxanes Incorporating a Sulfate/Oxalate Coligand: Achieving Structural Diversity via pH-Dependent Competitive Effect","Inorganic Chemistry","2017","","","","","10.1021/acs.inorgchem.6b02515","","","0.71073","MoKα","","0.062","0.035","","","0.0655","0.0725","","","","","","1.007","","","","has coordinates","194094","2020-10-21","18:00:00",""
"4345529","10.7168","0.0005","11.7427","0.0005","8.212","0.0004","90","","97.079","0.004","90","","1025.55","0.08","293","2","293","2","","","","","","","","4","C 1 c 1","C -2yc","9","","","","- C6 N6 O6 Sr3 -","- C6 N6 O6 Sr3 -","- C24 N24 O24 Sr12 -","4","1","","Kalmutzki, Markus Johannes; Dolabdjian, Konstantin; Wichtner, Nadja; Ströbele, Markus; Berthold, Christoph; Meyer, Hans-Jürgen","Formation, Structure, and Frequency-Doubling Effect of a Modification of Strontium Cyanurate (α-SCY).","Inorganic chemistry","2017","56","6","3357","3362","10.1021/acs.inorgchem.6b02893","","","0.71073","MoKα","","0.039","0.0384","","","0.0937","0.0944","","","","","","1.03","","","","has coordinates","194805","2020-10-21","18:00:00",""
"4345530","11.102","0.007","22.737","0.013","15.916","0.009","90","","103.02","0.012","90","","3914","4","296","2","296","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C40 H26 Dy F9 N2 O6 -","- C40 H26 Dy F9 N2 O6 -","- C160 H104 Dy4 F36 N8 O24 -","4","1","","Cen, Pei-Pei; Zhang, Sheng; Liu, Xiang-Yu; Song, Wei-Ming; Zhang, Yi-Quan; Xie, Gang; Chen, San-Ping","Electrostatic Potential Determined Magnetic Dynamics Observed in Two Mononuclear β-Diketone Dysprosium(III) Single-Molecule Magnets.","Inorganic chemistry","2017","56","6","3644","3656","10.1021/acs.inorgchem.7b00057","","","0.71073","MoKα","","0.1618","0.0578","","","0.0825","0.1034","","","","","","1.01","","","","has coordinates","194810","2020-10-21","18:00:00",""
"4345531","10.7364","0.0013","13.0536","0.0015","22.849","0.003","90","","90","","90","","3202.3","0.7","100","2","100","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C30 H22 Dy F9 O8 -","- C30 H22 Dy F9 O8 -","- C120 H88 Dy4 F36 O32 -","4","1","","Cen, Pei-Pei; Zhang, Sheng; Liu, Xiang-Yu; Song, Wei-Ming; Zhang, Yi-Quan; Xie, Gang; Chen, San-Ping","Electrostatic Potential Determined Magnetic Dynamics Observed in Two Mononuclear β-Diketone Dysprosium(III) Single-Molecule Magnets.","Inorganic chemistry","2017","56","6","3644","3656","10.1021/acs.inorgchem.7b00057","","","0.71073","MoKα","","0.057","0.0394","","","0.0669","0.0725","","","","","","0.966","","","","has coordinates","194810","2020-10-21","18:00:00",""
"4345532","11.833","0.0005","13.092","0.0006","16.57","0.0005","82.821","0.003","89.182","0.002","83.364","0.002","2529.8","0.18","200","2","200","2","","","","","","","","5","P -1","-P 1","2","Moris445 (Heng Liu)","","","- C38 H78 N6 Si6 U -","- C38 H78 N6 Si6 U -","- C76 H156 N12 Si12 U2 -","2","1","","Liu, Heng; Khononov, Maxim; Fridman, Natalia; Tamm, Matthias; Eisen, Moris S.","Catalytic Addition of Alcohols into Carbodiimides Promoted by Organoactinide Complexes.","Inorganic chemistry","2017","56","6","3153","3157","10.1021/acs.inorgchem.7b00357","","","0.71073","MoKα","","0.026","0.0225","","","0.0508","0.0519","","","","","","1.026","","","","has coordinates","194826","2020-10-21","18:00:00",""
"4345533","11.885","0.002","13.183","0.0015","16.579","0.0014","82.739","0.006","89.037","0.007","83.095","0.006","2558.1","0.6","200","2","200","2","","","","","","","","5","P -1","-P 1","2","Moris449 (Heng Liu)","","","- C38 H78 N6 Si6 Th -","- C38 H78 N6 Si6 Th -","- C76 H156 N12 Si12 Th2 -","2","1","","Liu, Heng; Khononov, Maxim; Fridman, Natalia; Tamm, Matthias; Eisen, Moris S.","Catalytic Addition of Alcohols into Carbodiimides Promoted by Organoactinide Complexes.","Inorganic chemistry","2017","56","6","3153","3157","10.1021/acs.inorgchem.7b00357","","","0.71073","MoKα","","0.0357","0.0298","","","0.0632","0.065","","","","","","1.035","","","","has coordinates","194826","2020-10-21","18:00:00",""
"4345534","38.88","0.02","13.077","0.002","19.909","0.009","90","","114.21","0.02","90","","9232","7","200","2","200","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","Moris469 (Heng Liu)","","","- C31 H72 N6 Si6 U -","- C31 H72 N6 Si6 U -","- C248 H576 N48 Si48 U8 -","8","1","","Liu, Heng; Khononov, Maxim; Fridman, Natalia; Tamm, Matthias; Eisen, Moris S.","Catalytic Addition of Alcohols into Carbodiimides Promoted by Organoactinide Complexes.","Inorganic chemistry","2017","56","6","3153","3157","10.1021/acs.inorgchem.7b00357","","","0.71073","MoKα","","0.0529","0.0356","","","0.0753","0.08","","","","","","1.02","","","","has coordinates","194826","2020-10-21","18:00:00",""
"4345535","38.83","0.004","13.119","0.009","19.951","0.0019","90","","114.19","0.05","90","","9271","7","200","2","200","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","Moris482 (Heng Liu)","","","- C31 H72 N6 Si6 Th -","- C31 H72 N6 Si6 Th -","- C248 H576 N48 Si48 Th8 -","8","1","","Liu, Heng; Khononov, Maxim; Fridman, Natalia; Tamm, Matthias; Eisen, Moris S.","Catalytic Addition of Alcohols into Carbodiimides Promoted by Organoactinide Complexes.","Inorganic chemistry","2017","56","6","3153","3157","10.1021/acs.inorgchem.7b00357","","","0.71073","MoKα","","0.077","0.0467","","","0.0796","0.0868","","","","","","1.015","","","","has coordinates","194826","2020-10-21","18:00:00",""
"4345536","21.355","0.0003","20.519","0.0005","25.315","0.0005","90","","90","","90","","11092.6","0.4","200","2","200","2","","","","","","","","5","P b c n","-P 2n 2ab","60","Moris496 (Heng Liu)","","","- C117 H116 N6 O4 Th -","- C117 H116 N6 O4 Th -","- C468 H464 N24 O16 Th4 -","4","0.5","","Liu, Heng; Khononov, Maxim; Fridman, Natalia; Tamm, Matthias; Eisen, Moris S.","Catalytic Addition of Alcohols into Carbodiimides Promoted by Organoactinide Complexes.","Inorganic chemistry","2017","56","6","3153","3157","10.1021/acs.inorgchem.7b00357","","","0.71073","MoKα","","0.094","0.0495","","","0.1245","0.1457","","","","","","1.1","","","","has coordinates,has disorder","194826","2020-10-21","18:00:00",""
"4345537","7.0984","0.001","8.6077","0.0012","13.3505","0.0018","90","","99.001","0.004","90","","805.68","0.19","123","2","123","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","thorium iodate-selenite","","","- I4 O18 Se2 Th2 -","- I3.998 O18 Se2.002 Th2 -","- I7.996 O36 Se4.004 Th4 -","2","0.5","","Wang, Yaxing; Wang, Yumin; Zhang, Linjuan; Chen, Lanhua; Liu, Zhiyong; Yin, Xuemiao; Sheng, Daopeng; Diwu, Juan; Wang, Jianqiang; Liu, Ning; Chai, Zhifang; Wang, Shuao","Substitutional Disorder of SeO32‒/IO3‒ in the Crystalline Solid Matrix: Insights into the Fate of Radionuclides 79Se and 129I in the Environment","Inorganic Chemistry","2017","","","","","10.1021/acs.inorgchem.7b00236","","","0.71073","MoKα","","0.0403","0.039","","","0.0831","0.0836","","","","","","1.195","","","","has coordinates","194129","2020-10-21","18:00:00",""
"4345538","8.7276","0.0004","11.426","0.0005","18.129","0.0007","90","","102.419","0.001","90","","1765.55","0.13","125","2","125","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C17 H12 Cl N2 O4 Re -","- C17 H12 Cl N2 O4 Re -","- C68 H48 Cl4 N8 O16 Re4 -","4","1","","Nganga, John K.; Samanamu, Christian R.; Tanski, Joseph M.; Pacheco, Carlos; Saucedo, Cesar; Batista, Victor S.; Grice, Kyle A.; Ertem, Mehmed Z.; Angeles-Boza, Alfredo M","Electrochemical Reduction of CO2 Catalyzed by Re(pyridine-oxazoline)(CO)3Cl Complexes.","Inorganic chemistry","2017","56","6","3214","3226","10.1021/acs.inorgchem.6b02384","","","0.71073","MoKα","","0.0233","0.0187","","","0.0412","0.0431","","","","","","1.036","","","","has coordinates","194811","2020-10-21","18:00:00",""
"4345539","10.794","0.005","14.658","0.005","16.234","0.005","94.838","0.005","104.24","0.005","110.147","0.005","2296.6","1.5","293","2","293","2","","","","","","","synthesis as described","6","P -1","-P 1","2","cupph3dppz","","","- C55 H44 Cu N5 O4 P2 -","- C55 H44 Cu N5 O4 P2 -","- C110 H88 Cu2 N10 O8 P4 -","2","1","","Villarreal, Wilmer; Colina-Vegas, Legna; Visbal, Gonzalo; Corona, Oscar; Corrêa, Rodrigo S; Ellena, Javier; Cominetti, Marcia Regina; Batista, Alzir Azevedo; Navarro, Maribel","Copper(I)-Phosphine Polypyridyl Complexes: Synthesis, Characterization, DNA/HSA Binding Study, and Antiproliferative Activity.","Inorganic chemistry","2017","56","7","3781","3793","10.1021/acs.inorgchem.6b02419","","x-ray","0.71073","MoKα","","0.1039","0.0585","","","0.1466","0.1674","","","","","","0.97","","","","has coordinates","194827","2020-10-21","18:00:00",""
"4345540","13.846","0.003","14.677","0.003","30.879","0.006","90","","99.64","0.05","90","","6187","2","100","","100","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C35 H31 B2 Co N9 -","- C35 H31 B2 Co N9 -","- C280 H248 B16 Co8 N72 -","8","4","","Nurdin, Lucie; Spasyuk, Denis M.; Piers, Warren E.; Maron, Laurent","Reactions of Neutral Cobalt(II) Complexes of a Dianionic Tetrapodal Pentadentate Ligand: Cobalt(III) Amides from Imido Radicals.","Inorganic chemistry","2017","","","","","10.1021/acs.inorgchem.7b00174","","","0.71073","MoKα","","0.0768","0.066","","","0.1356","0.1427","","","","","","1.173","","","","has coordinates,has disorder","194299","2020-10-21","18:00:00",""
"4345541","13.9846","0.0014","22.079","0.002","19.893","0.002","90","","90","","90","","6142.3","1","173","2","173","2","","","","","","","","6","P n m a","-P 2ac 2n","62","","","","- C66 H66 B4 Co2 N18 O2 -","- C66 H66 B4 Co2 N18 O2 -","- C264 H264 B16 Co8 N72 O8 -","4","0.5","","Nurdin, Lucie; Spasyuk, Denis M.; Piers, Warren E.; Maron, Laurent","Reactions of Neutral Cobalt(II) Complexes of a Dianionic Tetrapodal Pentadentate Ligand: Cobalt(III) Amides from Imido Radicals.","Inorganic chemistry","2017","","","","","10.1021/acs.inorgchem.7b00174","","","1.54178","CuKα","","0.0552","0.043","","","0.1098","0.1178","","","","","","1.05","","","","has coordinates,has disorder","194299","2020-10-21","18:00:00",""
"4345542","20.228","0.004","9.862","0.002","22.726","0.005","90","","90","","90","","4533.6","1.6","173","","173","","","","","","","","","6","P n m a","-P 2ac 2n","62","","","","- C49 H41 B2 Co F6 N10 -","- C49 H41 B2 Co F6 N10 -","- C196 H164 B8 Co4 F24 N40 -","4","0.5","","Nurdin, Lucie; Spasyuk, Denis M.; Piers, Warren E.; Maron, Laurent","Reactions of Neutral Cobalt(II) Complexes of a Dianionic Tetrapodal Pentadentate Ligand: Cobalt(III) Amides from Imido Radicals.","Inorganic chemistry","2017","","","","","10.1021/acs.inorgchem.7b00174","","","0.68881","synchrotron","","0.0579","0.0563","","","0.1489","0.1504","","","","","","1.092","","","","has coordinates,has disorder","194299","2020-10-21","18:00:00",""
"4345543","16.9567","0.0008","17.089","0.0008","18.289","0.0008","116.702","0.002","105.312","0.002","99.447","0.002","4313.5","0.4","173","2","173","2","","","","","","","","7","P -1","-P 1","2","","","","- C45 H45 B2 Co N10 O2 S -","- C45 H45 B2 Co N10 O2 S -","- C180 H180 B8 Co4 N40 O8 S4 -","4","2","","Nurdin, Lucie; Spasyuk, Denis M.; Piers, Warren E.; Maron, Laurent","Reactions of Neutral Cobalt(II) Complexes of a Dianionic Tetrapodal Pentadentate Ligand: Cobalt(III) Amides from Imido Radicals.","Inorganic chemistry","2017","","","","","10.1021/acs.inorgchem.7b00174","","","1.54178","CuKα","","0.0803","0.0519","","","0.1157","0.1302","","","","","","1.027","","","","has coordinates,has disorder","194299","2020-10-21","18:00:00",""
"4345544","68.484","0.004","27.666","0.0014","7.9665","0.0004","90","","90","","90","","15094","1.4","100","","100","2","","","","","","","","5","F d d 2","F 2 -2d","43","","","","- C42 H42 B2 Co N10 -","- C42 H42 B2 Co N10 -","- C672 H672 B32 Co16 N160 -","16","1","","Nurdin, Lucie; Spasyuk, Denis M.; Piers, Warren E.; Maron, Laurent","Reactions of Neutral Cobalt(II) Complexes of a Dianionic Tetrapodal Pentadentate Ligand: Cobalt(III) Amides from Imido Radicals.","Inorganic chemistry","2017","","","","","10.1021/acs.inorgchem.7b00174","","","0.71073","MoKα","","0.1024","0.0855","","","0.1796","0.1926","","","","","","1.215","","","","has coordinates,has disorder","194299","2020-10-21","18:00:00",""
"4345545","17.209","0.003","17.274","0.003","31.426","0.009","90","","119.69","0.02","90","","8116","3","173","","173","","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C80 H62 B4 Co2 F12 N20 -","- C80 H62 B4 Co2 F12 N20 -","- C320 H248 B16 Co8 F48 N80 -","4","1","","Nurdin, Lucie; Spasyuk, Denis M.; Piers, Warren E.; Maron, Laurent","Reactions of Neutral Cobalt(II) Complexes of a Dianionic Tetrapodal Pentadentate Ligand: Cobalt(III) Amides from Imido Radicals.","Inorganic chemistry","2017","","","","","10.1021/acs.inorgchem.7b00174","","","0.77491","synchrotron","","0.0801","0.0609","","","0.1589","0.1712","","","","","","1.057","","","","has coordinates,has disorder","194299","2020-10-21","18:00:00",""
"4345546","13.16","0.003","16.563","0.003","17.625","0.004","102.21","0.03","109.9","0.03","94.97","0.03","3477.6","1.6","100","","100","2","","","","","","","","7","P -1","-P 1","2","","","","- C74 H69 B4 Co2 N19 O2 S -","- C74 H69 B4 Co2 N19 O2 S -","- C148 H138 B8 Co4 N38 O4 S2 -","2","1","","Nurdin, Lucie; Spasyuk, Denis M.; Piers, Warren E.; Maron, Laurent","Reactions of Neutral Cobalt(II) Complexes of a Dianionic Tetrapodal Pentadentate Ligand: Cobalt(III) Amides from Imido Radicals.","Inorganic chemistry","2017","","","","","10.1021/acs.inorgchem.7b00174","","","0.71073","MoKα","","0.0625","0.0478","","","0.0963","0.106","","","","","","1.075","","","","has coordinates,has disorder","194299","2020-10-21","18:00:00",""
"4345547","21.879","0.002","23.701","0.003","19.687","0.002","90","","90","","90","","10208.8","1.9","296","2","296","2","","","","","","","","7","P n m a","-P 2ac 2n","62","","","","- C66.5 H76.5 Co2 F6 N13.5 O11 Si -","- C50 H34 Co2 F6 N10 O5 Si -","- C200 H136 Co8 F24 N40 O20 Si4 -","4","0.5","","Li, Jiantang; Luo, Xiaolong; Zhao, Nian; Zhang, Lirong; Huo, Qisheng; Liu, Yunling","Two Finite Binuclear [M2(μ2-OH)(COO)2] (M = Co, Ni) Based Highly Porous Metal‒Organic Frameworks with High Performance for Gas Sorption and Separation","Inorganic Chemistry","2017","","","","","10.1021/acs.inorgchem.7b00156","","","0.71073","MoKα","","0.1302","0.0919","","","0.2995","0.3293","","","","","","1.203","","","","has coordinates,has disorder","194329","2020-10-21","18:00:00",""
"4345548","14.3152","0.0004","14.75","0.0004","16.6756","0.0004","94.785","0.001","105.728","0.001","102.666","0.002","3268.25","0.15","120","","120","","","","","","","","","7","P -1","-P 1","2","","","","- C77.32 H129.32 Cu12 N8 O52.66 S4 Si20 -","- C77.32 H129.32 Cu12 N8 O52.66 S4 Si20 -","- C77.32 H129.32 Cu12 N8 O52.66 S4 Si20 -","1","0.5","","Bilyachenko, Alexey N.; Kulakova, Alena N.; Levitsky, Mikhail M.; Petrov, Artem A.; Korlyukov, Alexander A.; Shul'pina, Lidia S.; Khrustalev, Victor N.; Dorovatovskii, Pavel V.; Vologzhanina, Anna V.; Tsareva, Ulyana S.; Golub, Igor E.; Gulyaeva, Ekaterina S.; Shubina, Elena S.; Shul'pin, Georgiy B.","Unusual Tri-, Hexa-, and Nonanuclear Cu(II) Cage Methylsilsesquioxanes: Synthesis, Structures, and Catalytic Activity in Oxidations with Peroxides.","Inorganic chemistry","2017","56","7","4093","4103","10.1021/acs.inorgchem.7b00061","","","1.54178","CuKα","","0.0546","0.0441","","","0.1182","0.1306","","","","","","1.034","","","","has coordinates,has disorder","194828","2020-10-21","18:00:00",""
"4345549","12.21","0.002","17.48","0.004","25.21","0.005","90","","98.74","0.03","90","","5318.1","1.9","100","2","100","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C34 H58 Cu3 N4 O18 Si8 -","- C34 H58 Cu3 N4 O18 Si8 -","- C136 H232 Cu12 N16 O72 Si32 -","4","0.5","","Bilyachenko, Alexey N.; Kulakova, Alena N.; Levitsky, Mikhail M.; Petrov, Artem A.; Korlyukov, Alexander A.; Shul'pina, Lidia S.; Khrustalev, Victor N.; Dorovatovskii, Pavel V.; Vologzhanina, Anna V.; Tsareva, Ulyana S.; Golub, Igor E.; Gulyaeva, Ekaterina S.; Shubina, Elena S.; Shul'pin, Georgiy B.","Unusual Tri-, Hexa-, and Nonanuclear Cu(II) Cage Methylsilsesquioxanes: Synthesis, Structures, and Catalytic Activity in Oxidations with Peroxides.","Inorganic chemistry","2017","56","7","4093","4103","10.1021/acs.inorgchem.7b00061","","","0.966","synchrotron","","0.1101","0.0718","","","0.1703","0.1954","","","","","","1.039","","","","has coordinates","194828","2020-10-21","18:00:00",""
"4345550","14.497","0.003","14.823","0.003","16.597","0.003","95.38","0.03","103.83","0.03","104.4","0.03","3309.5","1.4","100","2","100","2","","","","","","","","6","P -1","-P 1","2","","","","- C41 H66 Cu6 N4 O25.5 Si10 -","- C41 H66 Cu6 N4 O25.5 Si10 -","- C82 H132 Cu12 N8 O51 Si20 -","2","1","","Bilyachenko, Alexey N.; Kulakova, Alena N.; Levitsky, Mikhail M.; Petrov, Artem A.; Korlyukov, Alexander A.; Shul'pina, Lidia S.; Khrustalev, Victor N.; Dorovatovskii, Pavel V.; Vologzhanina, Anna V.; Tsareva, Ulyana S.; Golub, Igor E.; Gulyaeva, Ekaterina S.; Shubina, Elena S.; Shul'pin, Georgiy B.","Unusual Tri-, Hexa-, and Nonanuclear Cu(II) Cage Methylsilsesquioxanes: Synthesis, Structures, and Catalytic Activity in Oxidations with Peroxides.","Inorganic chemistry","2017","56","7","4093","4103","10.1021/acs.inorgchem.7b00061","","","0.9699","synchrotron","","0.1375","0.0892","","","0.2146","0.2451","","","","","","1.022","","","","has coordinates","194828","2020-10-21","18:00:00",""
"4345551","12.561","0.001","15.5956","0.0011","23.6294","0.0013","90","","90","","90","","4628.9","0.6","223","2","223","2","","","","","","","","6","P c c n","-P 2ab 2ac","56","","","","- C39 H61 Cl4 N2 O3 Sm -","- C39 H61 Cl4 N2 O3 Sm -","- C156 H244 Cl16 N8 O12 Sm4 -","4","0.5","","Zhao, Zhiwen; Qin, Jie; Zhang, Chen; Wang, Yaorong; Yuan, Dan; Yao, Yingming","Recyclable Single-Component Rare-Earth Metal Catalysts for Cycloaddition of CO2 and Epoxides at Atmospheric Pressure","Inorganic Chemistry","2017","","","","","10.1021/acs.inorgchem.7b00107","","","0.71073","MoKα","","0.0879","0.0693","","","0.1815","0.201","","","","","","1.07","","","","has coordinates,has disorder","194550","2020-10-21","18:00:00",""
"4345552","12.5613","0.0007","15.5216","0.0008","23.5331","0.0011","90","","90","","90","","4588.3","0.4","223","2","223","2","","","","","","","","6","P c c n","-P 2ab 2ac","56","","","","- C39 H61 Cl4 N2 O3 Y -","- C39 H61 Cl4 N2 O3 Y -","- C156 H244 Cl16 N8 O12 Y4 -","4","0.5","","Zhao, Zhiwen; Qin, Jie; Zhang, Chen; Wang, Yaorong; Yuan, Dan; Yao, Yingming","Recyclable Single-Component Rare-Earth Metal Catalysts for Cycloaddition of CO2 and Epoxides at Atmospheric Pressure","Inorganic Chemistry","2017","","","","","10.1021/acs.inorgchem.7b00107","","","0.71073","MoKα","","0.1233","0.0655","","","0.1474","0.1675","","","","","","1.001","","","","has coordinates,has disorder","194550","2020-10-21","18:00:00",""
"4345553","16.198","0.0003","19.1136","0.0003","26.0111","0.0004","90","","91.6717","0.0015","90","","8049.7","0.2","293","2","293","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C48 H105 Co3 Dy3 N5 O35 -","- C48 H103 Co3 Dy3 N5 O35 -","- C192 H412 Co12 Dy12 N20 O140 -","4","1","","Radu, Ioana; Kravtsov, Victor Ch; Ostrovsky, Serghei M.; Reu, Oleg S.; Krämer, Karl; Decurtins, Silvio; Liu, Shi-Xia; Klokishner, Sophia I.; Baca, Svetlana G.","Tetranuclear {Co(II)2Co(III)2}, Octanuclear {Co(II)4Co(III)4}, and Hexanuclear {Co(III)3Dy(III)3} Pivalate Clusters: Synthesis, Magnetic Characterization, and Theoretical Modeling.","Inorganic chemistry","2017","56","5","2662","2676","10.1021/acs.inorgchem.6b02827","","","0.71073","MoKα","","0.0812","0.0494","","","0.1207","0.1483","","","","","","1.003","","","","has coordinates,has disorder","194681","2020-10-21","18:00:00",""
"4345554","17.933","0.0006","26.3905","0.0008","16.6146","0.0005","90","","90","","90","","7863","0.4","293","2","293","2","","","","","","","","6","C m c m","-C 2c 2","63","","","","- C52 H116 Co4 N5 Na O28 -","- C52 H104 Co4 N5 Na O27.9991 -","- C208 H416 Co16 N20 Na4 O111.996 -","4","0.25","","Radu, Ioana; Kravtsov, Victor Ch; Ostrovsky, Serghei M.; Reu, Oleg S.; Krämer, Karl; Decurtins, Silvio; Liu, Shi-Xia; Klokishner, Sophia I.; Baca, Svetlana G.","Tetranuclear {Co(II)2Co(III)2}, Octanuclear {Co(II)4Co(III)4}, and Hexanuclear {Co(III)3Dy(III)3} Pivalate Clusters: Synthesis, Magnetic Characterization, and Theoretical Modeling.","Inorganic chemistry","2017","56","5","2662","2676","10.1021/acs.inorgchem.6b02827","","","0.71073","MoKα","","0.0714","0.0493","","","0.143","0.1567","","","","","","1.006","","","","has coordinates,has disorder","194683","2020-10-21","18:00:00",""
"4345555","13.903","0.003","19.813","0.005","11.393","0.003","90","","90","","90","","3138.3","1.3","299.48","","299.48","","","","","","","","","4","F d d 2","F 2 -2d","43","","","","- C12 H4 O16 U2 -","- C12 H4 O16 U2 -","- C96 H32 O128 U16 -","8","0.5","","Martin, Nicolas P.; März, Juliane; Volkringer, Christophe; Henry, Natacha; Hennig, Christoph; Ikeda-Ohno, Atsushi; Loiseau, Thierry","Synthesis of Coordination Polymers of Tetravalent Actinides (Uranium and Neptunium) with a Phthalate or Mellitate Ligand in an Aqueous Medium.","Inorganic chemistry","2017","56","5","2902","2913","10.1021/acs.inorgchem.6b02962","","x-ray","0.71073","MoKα","","0.0707","0.0477","","","0.0995","0.1078","","","","","","1.015","","","","has coordinates","194685","2020-10-21","18:00:00",""
"4345556","7.8178","0.0007","9.587","0.0009","13.231","0.0013","77.492","0.006","86.775","0.005","83.487","0.005","961.36","0.16","100","","100","","","","","","","","","4","P -1","-P 1","2","","","","- C16 H12 Np2 O13 -","- C16 H12 Np2 O13 -","- C32 H24 Np4 O26 -","2","1","","Martin, Nicolas P.; März, Juliane; Volkringer, Christophe; Henry, Natacha; Hennig, Christoph; Ikeda-Ohno, Atsushi; Loiseau, Thierry","Synthesis of Coordination Polymers of Tetravalent Actinides (Uranium and Neptunium) with a Phthalate or Mellitate Ligand in an Aqueous Medium.","Inorganic chemistry","2017","56","5","2902","2913","10.1021/acs.inorgchem.6b02962","","x-ray","0.71073","MoKα","","0.0344","0.0217","","","0.0393","0.0418","","","","","","1.085","","","","has coordinates","194686","2020-10-21","18:00:00",""
"4345557","12.965","0.0003","12.9796","0.0003","20.1038","0.0005","90","","95.1696","0.0008","90","","3369.32","0.14","293","","293","","","","","","","","","4","P 1 n 1","P -2yac","7","","","","- C24 H0 Np10 O70 -","- C24 Np10 O70 -","- C48 Np20 O140 -","2","1","","Martin, Nicolas P.; März, Juliane; Volkringer, Christophe; Henry, Natacha; Hennig, Christoph; Ikeda-Ohno, Atsushi; Loiseau, Thierry","Synthesis of Coordination Polymers of Tetravalent Actinides (Uranium and Neptunium) with a Phthalate or Mellitate Ligand in an Aqueous Medium.","Inorganic chemistry","2017","56","5","2902","2913","10.1021/acs.inorgchem.6b02962","","x-ray","0.71069","MoKα","","0.0486","0.0352","","","0.0372","0.039","","","","1.12","1.12","1.08","","","","has coordinates","201208","2020-10-21","18:00:00",""
"4345558","12.59","0.03","14.48","0.04","25.48","0.06","99.76","0.04","97.78","0.04","105.15","0.05","4339","19","100","2","100","2","","","","","","","","7","P -1","-P 1","2","","","","- C61 H117 Co4 Gd3 N2 O32 P2 -","- C61 H117 Co4 Gd3 N2 O32 P2 -","- C122 H234 Co8 Gd6 N4 O64 P4 -","2","1","","Sheikh, Javeed Ahmad; Clearfield, Abraham","Modulating Magnetic Refrigeration through Structural Variation in Co(II/III)-Gd(III) Clusters.","Inorganic chemistry","2017","56","5","2843","2848","10.1021/acs.inorgchem.6b02398","","","0.71073","MoKα","","0.1718","0.0818","","","0.1422","0.185","","","","","","0.944","","","","has coordinates","194688","2020-10-21","18:00:00",""
"4345559","8.1261","0.0004","15.0091","0.0008","10.6437","0.0005","90","","99.263","0.004","90","","1281.24","0.11","180","2","180","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C12 H12 Cl2 Co N2 -","- C12 H12 Cl2 Co N2 -","- C48 H48 Cl8 Co4 N8 -","4","1","","Liu, Jia-Jia; Jiang, Shang-Da; Neugebauer, Petr; van Slageren, Joris; Lan, Yanhua; Wernsdorfer, Wolfgang; Wang, Bing-Wu; Gao, Song","Magnetic and HFEPR Studies of Exchange Coupling in a Series of μ-Cl Dicobalt Complexes.","Inorganic chemistry","2017","56","5","2417","2425","10.1021/acs.inorgchem.6b02368","","","0.71073","MoKα","","0.0433","0.0297","","","0.0604","0.0675","","","","","","1.04","","","","has coordinates","194689","2020-10-21","18:00:00",""
"4345560","8.1936","0.0012","15.7284","0.0008","14.897","0.002","90","","134.32","0.03","90","","1373.5","0.8","181","2","181","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C12 H11 Cl2 Co N3 S -","- C12 H11 Cl2 Co N3 S -","- C48 H44 Cl8 Co4 N12 S4 -","4","1","","Liu, Jia-Jia; Jiang, Shang-Da; Neugebauer, Petr; van Slageren, Joris; Lan, Yanhua; Wernsdorfer, Wolfgang; Wang, Bing-Wu; Gao, Song","Magnetic and HFEPR Studies of Exchange Coupling in a Series of μ-Cl Dicobalt Complexes.","Inorganic chemistry","2017","56","5","2417","2425","10.1021/acs.inorgchem.6b02368","","","0.71073","MoKα","","0.0589","0.0402","","","0.0927","0.1074","","","","","","1.069","","","","has coordinates","194690","2020-10-21","18:00:00",""
"4345561","15.8881","0.001","28.3612","0.0017","18.5279","0.0012","90","","107.547","0.004","90","","7960.3","0.9","296","2","296","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C78 H86 In2 N4 O5 -","- C78 H86 In2 N4 O5 -","- C312 H344 In8 N16 O20 -","4","1","","Lee, Seon Hee; Shin, Nara; Kwak, Sang Woo; Hyun, Kyunglim; Woo, Won Hee; Lee, Ji Hye; Hwang, Hyonseok; Kim, Min; Lee, Junseong; Kim, Youngjo; Lee, Kang Mun; Park, Myung Hwan","Intriguing Indium-salen Complexes as Multicolor Luminophores.","Inorganic chemistry","2017","56","5","2621","2626","10.1021/acs.inorgchem.6b02797","","","0.71073","MoKα","","0.1207","0.0811","","","0.2202","0.2434","","","","","","1.024","","","","has coordinates,has disorder","194691","2020-10-21","18:00:00",""
"4345562","12.878","0.005","12.999","0.005","14.3","0.006","98.088","0.007","114.435","0.006","90.425","0.007","2152","1.5","150","2","150","2","","","","","","","","7","P -1","-P 1","2","","","","- C82 H70 Cl8 In2 N8 O14 P2 -","- C82 H70 Cl8 In2 N8 O14 P2 -","- C82 H70 Cl8 In2 N8 O14 P2 -","1","0.5","","Enakieva, Yulia Yu; Volostnykh, Marina V.; Nefedov, Sergey E.; Kirakosyan, Gayane A.; Gorbunova, Yulia G.; Tsivadze, Aslan Yu; Bessmertnykh-Lemeune, Alla G; Stern, Christine; Guilard, Roger","Gallium(III) and Indium(III) Complexes with meso-Monophosphorylated Porphyrins: Synthesis and Structure. A First Example of Dimers Formed by the Self-Assembly of meso-Porphyrinylphosphonic Acid Monoester.","Inorganic chemistry","2017","56","5","3055","3070","10.1021/acs.inorgchem.6b03160","","","0.71073","MoKα","","0.2159","0.0797","","","0.157","0.2147","","","","","","0.95","","","","has coordinates","194692","2020-10-21","18:00:00",""
"4345563","12.995","0.003","16.152","0.004","16.714","0.004","86.087","0.004","78.858","0.004","88.057","0.004","3433.3","1.4","150","2","150","2","","","","","","","","7","P -1","-P 1","2","","","","- C38 H33 Cl In N4 O3 P -","- C38 H33 Cl In N4 O3 P -","- C152 H132 Cl4 In4 N16 O12 P4 -","4","2","","Enakieva, Yulia Yu; Volostnykh, Marina V.; Nefedov, Sergey E.; Kirakosyan, Gayane A.; Gorbunova, Yulia G.; Tsivadze, Aslan Yu; Bessmertnykh-Lemeune, Alla G; Stern, Christine; Guilard, Roger","Gallium(III) and Indium(III) Complexes with meso-Monophosphorylated Porphyrins: Synthesis and Structure. A First Example of Dimers Formed by the Self-Assembly of meso-Porphyrinylphosphonic Acid Monoester.","Inorganic chemistry","2017","56","5","3055","3070","10.1021/acs.inorgchem.6b03160","","","0.71073","MoKα","","0.1407","0.0727","","","0.1798","0.2206","","","","","","1.014","","","","has coordinates,has disorder","194693","2020-10-21","18:00:00",""
"4345564","5.455","0.0001","5.455","0.0001","10.8253","0.0003","90","","90","","90","","322.129","0.012","293","","293","","","","","","","","","5","I -4","I -4","82","","","","- Cu1.646 Li0.354 S4 Sn Zn -","- Cu1.647 Li0.353 S4 Sn Zn -","- Cu3.294 Li0.706 S8 Sn2 Zn2 -","2","0.25","","Lafond, A.; Guillot-Deudon, C; Vidal, J.; Paris, M.; La, C.; Jobic, S.","Substitution of Li for Cu in Cu2ZnSnS4: Toward Wide Band Gap Absorbers with Low Cation Disorder for Thin Film Solar Cells.","Inorganic chemistry","2017","56","5","2712","2721","10.1021/acs.inorgchem.6b02865","","x-ray","0.71069","MoKα","","0.0653","0.0541","","","0.1148","0.1185","","","","1.56","1.56","1.54","","","","has coordinates","194694","2020-10-21","18:00:00",""
"4345565","16.369","0.0011","16.3925","0.0011","17.2399","0.0012","92.979","0.001","112.545","0.001","109.698","0.001","3934.1","0.5","100","2","100","2","","","","","","","","6","P -1","-P 1","2","","","","- C38.5 H34 N1.5 O7 P4 Ti0.5 -","- C38.5 H34 N1.5 O7 P4 Ti0.5 -","- C154 H136 N6 O28 P16 Ti2 -","4","2","","Stauber, Julia M.; Cummins, Christopher C.","Terminal Titanyl Complexes of Tri- and Tetrametaphosphate: Synthesis, Structures, and Reactivity with Hydrogen Peroxide.","Inorganic chemistry","2017","56","5","3022","3029","10.1021/acs.inorgchem.6b03149","","","0.71073","MoKα","","0.0459","0.0382","","","0.0993","0.1047","","","","","","1.034","","","","has coordinates","194695","2020-10-21","18:00:00",""
"4345566","11.8028","0.0013","22.44","0.003","14.679","0.002","90","","93.168","0.002","90","","3881.9","0.9","100","2","100","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C40 H60 Co N2 S4 -","- C40 H60 Co N2 S4 -","- C160 H240 Co4 N8 S16 -","4","1","","Suturina, Elizaveta A.; Nehrkorn, Joscha; Zadrozny, Joseph M.; Liu, Junjie; Atanasov, Mihail; Weyhermüller, Thomas; Maganas, Dimitrios; Hill, Stephen; Schnegg, Alexander; Bill, Eckhard; Long, Jeffrey R.; Neese, Frank","Magneto-Structural Correlations in Pseudotetrahedral Forms of the [Co(SPh)4](2-) Complex Probed by Magnetometry, MCD Spectroscopy, Advanced EPR Techniques, and ab Initio Electronic Structure Calculations.","Inorganic chemistry","2017","56","5","3102","3118","10.1021/acs.inorgchem.7b00097","","","0.71073","MoKα","","0.059","0.035","","","0.0729","0.0826","","","","","","1.024","","","","has coordinates","194696","2020-10-21","18:00:00",""
"4345567","30.6411","0.001","30.6411","0.001","22.9614","0.0017","90","","90","","90","","21557.9","1.9","150","2","150","2","","","","","","","","4","I 4/m m m","-I 4 2","139","","","","- C51 H30 Cu6 O33 -","- C51 H30 Cu6 O33 -","- C408 H240 Cu48 O264 -","8","0.25","","Feng, Genfeng; Peng, Yuxin; Liu, Wei; Chang, Feifan; Dai, Yafei; Huang, Wei","Polar Ketone-Functionalized Metal-Organic Framework Showing a High CO2 Adsorption Performance.","Inorganic chemistry","2017","56","5","2363","2366","10.1021/acs.inorgchem.6b02660","","","0.71073","MoKα","","0.0916","0.0718","","","0.1885","0.1997","","","","","","1.04","","","","has coordinates","194697","2020-10-21","18:00:00",""
"4345568","25.8389","0.0006","25.8389","0.0006","21.5389","0.0006","90","","90","","90","","14380.4","0.6","293","2","293","2","","","","","","","","5","P 4/n n c","-P 4a 2bc","126","","","","- C80 H64 N22 O17 Zn6 -","- C76 H48 N20 O17 Zn6 -","- C304 H192 N80 O68 Zn24 -","4","","","Ma, Hui-Fang; Liu, Qing-Yan; Wang, Yu-Ling; Yin, Shun-Gao","A Water-Stable Anionic Metal-Organic Framework Constructed from Columnar Zinc-Adeninate Units for Highly Selective Light Hydrocarbon Separation and Efficient Separation of Organic Dyes.","Inorganic chemistry","2017","56","5","2919","2925","10.1021/acs.inorgchem.6b03026","","x-ray","0.71073","MoKα","","0.1181","0.0716","","","0.2153","0.2392","","","","","","1.066","","","","has coordinates,has disorder","194698","2020-10-21","18:00:00",""
"4345569","32.2022","0.0011","32.2022","0.0011","14.1798","0.0005","90","","90","","120","","12734.2","0.8","100","1","100","1","","","","","","","","6","R -3 :H","-R 3","148","","","","- C28 H34 Cl N4 O3.11 Re -","- C28 H34 Cl N4 O3.1111 Re -","- C504 H612 Cl18 N72 O55.9998 Re18 -","18","1","","Ching, H. Y. Vincent; Wang, Xia; He, Menglan; Perujo Holland, Noemi; Guillot, Régis; Slim, Cyrine; Griveau, Sophie; Bertrand, Hélène C; Policar, Clotilde; Bedioui, Fethi; Fontecave, Marc","Rhenium Complexes Based on 2-Pyridyl-1,2,3-triazole Ligands: A New Class of CO2 Reduction Catalysts.","Inorganic chemistry","2017","56","5","2966","2976","10.1021/acs.inorgchem.6b03078","","","0.71073","MoKα","","0.0377","0.0263","","","0.0533","0.057","","","","","","1.027","","","","has coordinates,has disorder","194699","2020-10-21","18:00:00",""
"4345570","9.5645","0.0004","14.2057","0.0007","13.5828","0.0006","90","","93.245","0.001","90","","1842.54","0.14","293","2","293","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- Cl7 Cs3 F2 Sn3 -","- Cl7 Cs3 F2 Sn3 -","- Cl28 Cs12 F8 Sn12 -","4","1","","Gong, Pifu; Luo, Siyang; Xiao, Ke; Huang, Qian; Yang, Yi; Huang, Hongwei; Wu, Yicheng; Chen, Chuangtian; Lin, Zheshuai","Structure and Characterization of a Zero-Dimensional Alkali Tin Dihalides Compound Cs3Sn3F2Cl7 with the [Sn2F2Cl4](2-) Clusters.","Inorganic chemistry","2017","56","5","3081","3086","10.1021/acs.inorgchem.7b00036","","","0.71073","MoKα","","0.0211","0.0173","","","0.0327","0.0337","","","","","","1.048","","","","has coordinates","194700","2020-10-21","18:00:00",""
"4345571","14.1385","0.0007","16.4928","0.0008","21.4412","0.001","90","","90","","90","","4999.7","0.4","100","2","100","2","","","","","","","","7","P 21 21 21","P 2ac 2ab","19","","","","- C38 H76 Cl3 N6 O2 P3 Pt3 -","- C38 H76 Cl3 N6 O2 P3 Pt3 -","- C152 H304 Cl12 N24 O8 P12 Pt12 -","4","1","","Nickolaus, Jan; Imbrich, Dominik A.; Schlindwein, Simon H.; Geyer, Adrian H.; Nieger, Martin; Gudat, Dietrich","Phosphenium Hydride Reduction of [(cod)MX2] (M = Pd, Pt; X = Cl, Br): Snapshots on the Way to Phosphenium Metal(0) Halides and Synthesis of Metal Nanoparticles.","Inorganic chemistry","2017","56","5","3071","3080","10.1021/acs.inorgchem.7b00022","","","0.71073","MoKα","","0.0402","0.0297","","","0.0615","0.0644","","","","","","1.034","","","","has coordinates","194701","2020-10-21","18:00:00",""
"4345572","9.9109","0.0003","9.9109","0.0003","45.1306","0.0011","90","","90","","120","","3839.09","0.19","293","2","293","2","","","","","","","","4","R -3 c :H","-R 3 2""c","167","","","","- Na16 O60 Te12 Th8 -","- Na16 O60 Te12 Th8 -","- Na48 O180 Te36 Th24 -","3","0.0833333","","Xiao, Bin; Kegler, Philip; Bosbach, Dirk; Alekseev, Evgeny V.","Thorium Chemistry in Oxo-Tellurium System under Extreme Conditions.","Inorganic chemistry","2017","56","5","2926","2935","10.1021/acs.inorgchem.6b03030","","","0.71073","MoKα","","0.0279","0.0248","","","0.0947","0.0968","","","","","","1.151","","","","has coordinates","194702","2020-10-21","18:00:00",""
"4345573","7.8623","0.0003","8.1392","0.0003","12.4806","0.0005","76.796","0.001","78.376","0.001","88.621","0.001","761.41","0.05","125","2","125","2","","","","","","","","6","P -1","-P 1","2","","","","- C14 H11 Cl N2 O4 Re -","- C14 H11 Cl N2 O4 Re -","- C28 H22 Cl2 N4 O8 Re2 -","2","1","","Nganga, John K.; Samanamu, Christian R.; Tanski, Joseph M.; Pacheco, Carlos; Saucedo, Cesar; Batista, Victor S.; Grice, Kyle A.; Ertem, Mehmed Z.; Angeles-Boza, Alfredo M","Electrochemical Reduction of CO2 Catalyzed by Re(pyridine-oxazoline)(CO)3Cl Complexes.","Inorganic chemistry","2017","56","6","3214","3226","10.1021/acs.inorgchem.6b02384","","","0.71073","MoKα","","0.0192","0.017","","","0.0397","0.0405","","","","","","1.044","","","","has coordinates","194703","2020-10-21","18:00:00",""
"4345574","7.2938","0.0003","8.2318","0.0003","12.3709","0.0005","95.181","0.001","106.224","0.001","90.055","0.001","710","0.05","125","2","125","2","","","","","","","","6","P -1","-P 1","2","","","","- C12 H10 Cl N2 O4 Re -","- C12 H10 Cl N2 O4 Re -","- C24 H20 Cl2 N4 O8 Re2 -","2","1","","Nganga, John K.; Samanamu, Christian R.; Tanski, Joseph M.; Pacheco, Carlos; Saucedo, Cesar; Batista, Victor S.; Grice, Kyle A.; Ertem, Mehmed Z.; Angeles-Boza, Alfredo M","Electrochemical Reduction of CO2 Catalyzed by Re(pyridine-oxazoline)(CO)3Cl Complexes.","Inorganic chemistry","2017","56","6","3214","3226","10.1021/acs.inorgchem.6b02384","","","0.71073","MoKα","","0.0192","0.0178","","","0.0414","0.0418","","","","","","1.115","","","","has coordinates,has disorder","194704","2020-10-21","18:00:00",""
"4345575","9.9246","0.0002","10.7159","0.0002","11.3098","0.0002","76.6714","0.0019","73.361","0.002","72.03","0.002","1082.8","0.04","120","1","120","1","","","","","","","","4","P 1","P 1","1","","","","- C22 H35 N3 O2 -","- C22 H35 N3 O2 -","- C44 H70 N6 O4 -","2","2","","Wenz, Jan; Kochan, Alexander; Wadepohl, Hubert; Gade, Lutz H.","A Readily Accessible Chiral NNN Pincer Ligand with a Pyrrole Backbone and Its Ni(II) Chemistry: Syntheses, Structural Chemistry, and Bond Activations.","Inorganic chemistry","2017","56","6","3631","3643","10.1021/acs.inorgchem.7b00077","","x-ray","1.54184","CuKα","","0.0365","0.0333","","","0.0797","0.0817","","","","","","1.026","","","","has coordinates,has disorder","194705","2020-10-21","18:00:00",""
"4345576","10.596","0.004","10.832","0.005","19.906","0.008","90","","90","","90","","2284.7","1.6","100","2","100","1","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C22 H34 Cl N3 Ni O2 -","- C22 H34 Cl N3 Ni O2 -","- C88 H136 Cl4 N12 Ni4 O8 -","4","1","","Wenz, Jan; Kochan, Alexander; Wadepohl, Hubert; Gade, Lutz H.","A Readily Accessible Chiral NNN Pincer Ligand with a Pyrrole Backbone and Its Ni(II) Chemistry: Syntheses, Structural Chemistry, and Bond Activations.","Inorganic chemistry","2017","56","6","3631","3643","10.1021/acs.inorgchem.7b00077","","x-ray","0.71073","MoKα","","0.0277","0.0237","","","0.0573","0.0589","","","","","","1.038","","","","has coordinates","194705","2020-10-21","18:00:00",""
"4345577","14.50564","0.00011","15.06675","0.00007","15.05287","0.00013","90","","118.15","0.001","90","","2900.71","0.05","120","1","120","1","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C31.5 H34 Cl N3 Ni O2 -","- C31.5 H34 Cl N3 Ni O2 -","- C126 H136 Cl4 N12 Ni4 O8 -","4","2","","Wenz, Jan; Kochan, Alexander; Wadepohl, Hubert; Gade, Lutz H.","A Readily Accessible Chiral NNN Pincer Ligand with a Pyrrole Backbone and Its Ni(II) Chemistry: Syntheses, Structural Chemistry, and Bond Activations.","Inorganic chemistry","2017","56","6","3631","3643","10.1021/acs.inorgchem.7b00077","","x-ray","1.54184","CuKα","","0.0238","0.0226","","","0.0534","0.0538","","","","","","1.027","","","","has coordinates,has disorder","194705","2020-10-21","18:00:00",""
"4345578","9.06821","0.00018","12.8272","0.0002","10.32375","0.00019","90","","111.12","0.002","90","","1120.19","0.04","120","1","120","1","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C22 H34 F N3 Ni O2 -","- C22 H34 F N3 Ni O2 -","- C44 H68 F2 N6 Ni2 O4 -","2","1","","Wenz, Jan; Kochan, Alexander; Wadepohl, Hubert; Gade, Lutz H.","A Readily Accessible Chiral NNN Pincer Ligand with a Pyrrole Backbone and Its Ni(II) Chemistry: Syntheses, Structural Chemistry, and Bond Activations.","Inorganic chemistry","2017","56","6","3631","3643","10.1021/acs.inorgchem.7b00077","","x-ray","0.71073","MoKα","","0.0384","0.0332","","","0.0682","0.071","","","","","","1.068","","","","has coordinates","194705","2020-10-21","18:00:00",""
"4345579","9.772","0.004","11.822","0.005","19.955","0.008","90","","90","","90","","2305.3","1.6","100","2","100","1","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C22 H34 Br N3 Ni O2 -","- C22 H34 Br N3 Ni O2 -","- C88 H136 Br4 N12 Ni4 O8 -","4","1","","Wenz, Jan; Kochan, Alexander; Wadepohl, Hubert; Gade, Lutz H.","A Readily Accessible Chiral NNN Pincer Ligand with a Pyrrole Backbone and Its Ni(II) Chemistry: Syntheses, Structural Chemistry, and Bond Activations.","Inorganic chemistry","2017","56","6","3631","3643","10.1021/acs.inorgchem.7b00077","","x-ray","0.71073","MoKα","","0.0227","0.0192","","","0.043","0.0438","","","","","","1.009","","","","has coordinates","194705","2020-10-21","18:00:00",""
"4345580","9.797","0.004","11.919","0.005","20.149","0.008","90","","90","","90","","2352.8","1.7","100","2","100","1","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C22 H34 I N3 Ni O2 -","- C22 H34 I N3 Ni O2 -","- C88 H136 I4 N12 Ni4 O8 -","4","1","","Wenz, Jan; Kochan, Alexander; Wadepohl, Hubert; Gade, Lutz H.","A Readily Accessible Chiral NNN Pincer Ligand with a Pyrrole Backbone and Its Ni(II) Chemistry: Syntheses, Structural Chemistry, and Bond Activations.","Inorganic chemistry","2017","56","6","3631","3643","10.1021/acs.inorgchem.7b00077","","x-ray","0.71073","MoKα","","0.0165","0.0155","","","0.0356","0.036","","","","","","1.059","","","","has coordinates","194705","2020-10-21","18:00:00",""
"4345581","8.936","0.004","13.257","0.006","19.731","0.009","90","","90","","90","","2337.4","1.8","100","2","100","1","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C22 H34 N6 Ni O2 -","- C22 H34 N6 Ni O2 -","- C88 H136 N24 Ni4 O8 -","4","1","","Wenz, Jan; Kochan, Alexander; Wadepohl, Hubert; Gade, Lutz H.","A Readily Accessible Chiral NNN Pincer Ligand with a Pyrrole Backbone and Its Ni(II) Chemistry: Syntheses, Structural Chemistry, and Bond Activations.","Inorganic chemistry","2017","56","6","3631","3643","10.1021/acs.inorgchem.7b00077","","x-ray","0.71073","MoKα","","0.0326","0.0281","","","0.067","0.0688","","","","","","1.071","","","","has coordinates","194705","2020-10-21","18:00:00",""
"4345582","9.44821","0.00009","10.20805","0.00009","25.8807","0.0002","90","","90","","90","","2496.14","0.04","120","1","120","1","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C24 H39 N3 Ni O2 -","- C24 H39 N3 Ni O2 -","- C96 H156 N12 Ni4 O8 -","4","1","","Wenz, Jan; Kochan, Alexander; Wadepohl, Hubert; Gade, Lutz H.","A Readily Accessible Chiral NNN Pincer Ligand with a Pyrrole Backbone and Its Ni(II) Chemistry: Syntheses, Structural Chemistry, and Bond Activations.","Inorganic chemistry","2017","56","6","3631","3643","10.1021/acs.inorgchem.7b00077","","x-ray","0.71073","MoKα","","0.0289","0.0257","","","0.0584","0.0596","","","","","","1.048","","","","has coordinates","194705","2020-10-21","18:00:00",""
"4345583","11.44998","0.00017","14.0215","0.0002","17.5861","0.0003","90","","90","","90","","2823.38","0.08","100","1","100","1","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C26 H45 N3 Ni O2 Si -","- C26 H45 N3 Ni O2 Si -","- C104 H180 N12 Ni4 O8 Si4 -","4","1","","Wenz, Jan; Kochan, Alexander; Wadepohl, Hubert; Gade, Lutz H.","A Readily Accessible Chiral NNN Pincer Ligand with a Pyrrole Backbone and Its Ni(II) Chemistry: Syntheses, Structural Chemistry, and Bond Activations.","Inorganic chemistry","2017","56","6","3631","3643","10.1021/acs.inorgchem.7b00077","","x-ray","0.71073","MoKα","","0.0369","0.0309","","","0.0655","0.0678","","","","","","1.043","","","","has coordinates","194705","2020-10-21","18:00:00",""
"4345584","15.0708","0.00003","15.0708","0.00003","12.09666","0.00005","90","","90","","90","","2747.5","0.014","120","1","120","1","","","","","","","","6","P 41","P 4w","76","","","","- C28 H38 F N3 Ni O2 -","- C28 H38 F N3 Ni O2 -","- C112 H152 F4 N12 Ni4 O8 -","4","1","","Wenz, Jan; Kochan, Alexander; Wadepohl, Hubert; Gade, Lutz H.","A Readily Accessible Chiral NNN Pincer Ligand with a Pyrrole Backbone and Its Ni(II) Chemistry: Syntheses, Structural Chemistry, and Bond Activations.","Inorganic chemistry","2017","56","6","3631","3643","10.1021/acs.inorgchem.7b00077","","x-ray","1.54184","CuKα","","0.0161","0.0161","","","0.0441","0.0441","","","","","","1.028","","","","has coordinates","194705","2020-10-21","18:00:00",""
"4345585","9.068","0.004","13.448","0.007","22.127","0.011","90","","90","","90","","2698","2","100","2","100","1","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C30 H39 N3 Ni O2 -","- C30 H39 N3 Ni O2 -","- C120 H156 N12 Ni4 O8 -","4","1","","Wenz, Jan; Kochan, Alexander; Wadepohl, Hubert; Gade, Lutz H.","A Readily Accessible Chiral NNN Pincer Ligand with a Pyrrole Backbone and Its Ni(II) Chemistry: Syntheses, Structural Chemistry, and Bond Activations.","Inorganic chemistry","2017","56","6","3631","3643","10.1021/acs.inorgchem.7b00077","","x-ray","0.71073","MoKα","","0.0432","0.0331","","","0.0669","0.0707","","","","","","1.029","","","","has coordinates","194705","2020-10-21","18:00:00",""
"4345586","8.92444","0.0001","13.18377","0.00017","19.0512","0.0002","90","","90","","90","","2241.52","0.04","120","1","120","1","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C22 H35 N3 Ni O2 -","- C22 H35 N3 Ni O2 -","- C88 H140 N12 Ni4 O8 -","4","1","","Wenz, Jan; Kochan, Alexander; Wadepohl, Hubert; Gade, Lutz H.","A Readily Accessible Chiral NNN Pincer Ligand with a Pyrrole Backbone and Its Ni(II) Chemistry: Syntheses, Structural Chemistry, and Bond Activations.","Inorganic chemistry","2017","56","6","3631","3643","10.1021/acs.inorgchem.7b00077","","x-ray","0.71073","MoKα","","0.0335","0.0312","","","0.0692","0.07","","","","","","1.122","","","","has coordinates","194705","2020-10-21","18:00:00",""
"4345587","8.81923","0.00006","7.67556","0.00005","14.14396","0.00008","90","","94.7211","0.0006","90","","954.192","0.011","110","1","110","1","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C18 H26 Br N3 Ni O2 -","- C18 H26 Br N3 Ni O2 -","- C36 H52 Br2 N6 Ni2 O4 -","2","1","","Wenz, Jan; Kochan, Alexander; Wadepohl, Hubert; Gade, Lutz H.","A Readily Accessible Chiral NNN Pincer Ligand with a Pyrrole Backbone and Its Ni(II) Chemistry: Syntheses, Structural Chemistry, and Bond Activations.","Inorganic chemistry","2017","56","6","3631","3643","10.1021/acs.inorgchem.7b00077","","x-ray","0.7107","MoKα","","0.0186","0.0175","","","0.0389","0.0392","","","","","","1.079","","","","has coordinates","194705","2020-10-21","18:00:00",""
"4345588","8.02343","0.00016","12.8832","0.0003","17.6864","0.0003","90","","90","","90","","1828.2","0.06","120","1","120","1","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C18 H24 Cl N3 Ni O2 -","- C18 H24 Cl N3 Ni O2 -","- C72 H96 Cl4 N12 Ni4 O8 -","4","1","","Wenz, Jan; Kochan, Alexander; Wadepohl, Hubert; Gade, Lutz H.","A Readily Accessible Chiral NNN Pincer Ligand with a Pyrrole Backbone and Its Ni(II) Chemistry: Syntheses, Structural Chemistry, and Bond Activations.","Inorganic chemistry","2017","56","6","3631","3643","10.1021/acs.inorgchem.7b00077","","x-ray","0.71073","MoKα","","0.0526","0.0431","","","0.0771","0.08","","","","","","1.116","","","","has coordinates","194705","2020-10-21","18:00:00",""
"4345589","40.6952","0.0006","40.6952","0.0006","6.06539","0.0001","90","","90","","120","","8699.1","0.2","120","1","120","1","","","","","","","","6","R 3","R 3","146","","","","- C18 H25 F N3 Ni O2.5 -","- C18 H25 F N3 Ni O2.5 -","- C324 H450 F18 N54 Ni18 O45 -","18","","","Wenz, Jan; Kochan, Alexander; Wadepohl, Hubert; Gade, Lutz H.","A Readily Accessible Chiral NNN Pincer Ligand with a Pyrrole Backbone and Its Ni(II) Chemistry: Syntheses, Structural Chemistry, and Bond Activations.","Inorganic chemistry","2017","56","6","3631","3643","10.1021/acs.inorgchem.7b00077","","x-ray","1.54184","CuKα","","0.0281","0.0265","","","0.0571","0.0576","","","","","","1.058","","","","has coordinates","194705","2020-10-21","18:00:00",""
"4345590","8.25806","0.00004","12.98362","0.00008","17.61718","0.00009","90","","90","","90","","1888.91","0.018","110","1","110","1","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C18 H26 Br N3 Ni O2 -","- C18 H26 Br N3 Ni O2 -","- C72 H104 Br4 N12 Ni4 O8 -","4","1","","Wenz, Jan; Kochan, Alexander; Wadepohl, Hubert; Gade, Lutz H.","A Readily Accessible Chiral NNN Pincer Ligand with a Pyrrole Backbone and Its Ni(II) Chemistry: Syntheses, Structural Chemistry, and Bond Activations.","Inorganic chemistry","2017","56","6","3631","3643","10.1021/acs.inorgchem.7b00077","","x-ray","0.71073","MoKα","","0.0173","0.0162","","","0.0381","0.0384","","","","","","1.094","","","","has coordinates","194705","2020-10-21","18:00:00",""
"4345591","12.9018","0.0006","13.3404","0.0004","25.7336","0.0008","75.088","0.003","78.287","0.003","74.075","0.003","4073.7","0.3","173","2","173","2","","","","","","","","6","P -1","-P 1","2","","","","- C79.5 H108 Al2 N4 Se4 Zn3 -","- C79.5 H108 Al2 N4 Se4 Zn3 -","- C159 H216 Al4 N8 Se8 Zn6 -","2","1","","Li, Bin; Li, Jiancheng; Liu, Rui; Zhu, Hongping; Roesky, Herbert W.","Facile Route to Rare Heterobimetallic Aluminum-Copper and Aluminum-Zinc Selenide Clusters.","Inorganic chemistry","2017","56","6","3136","3139","10.1021/acs.inorgchem.7b00012","","","0.71073","MoKα","","0.0484","0.0363","","","0.0757","0.0796","","","","","","1.009","","","","has coordinates,has disorder","194706","2020-10-21","18:00:00",""
"4345592","10.9598","0.0003","19.6153","0.0006","22.1528","0.0007","90","","90","","90","","4762.4","0.2","100","2","100","2","","","","","","","","8","P 21 21 21","P 2ac 2ab","19","","","","- C56 H54 Cl N O P2 Ru S -","- C56 H54 Cl N O P2 Ru S -","- C224 H216 Cl4 N4 O4 P8 Ru4 S4 -","4","1","","Maity, Suvendu; Kundu, Suman; Mondal, Sandip; Bera, Sachinath; Ghosh, Prasanta","Molecular and Electronic Structures of Ruthenium Complexes Containing an ONS-Coordinated Open-Shell π Radical and an Oxidative Aromatic Ring Cleavage Reaction.","Inorganic chemistry","2017","56","6","3363","3376","10.1021/acs.inorgchem.6b02862","","","0.71073","MoKα","","0.0603","0.0481","","","0.1009","0.1101","","","","","","0.894","","","","has coordinates","194707","2020-10-21","18:00:00",""
"4345593","13.517","0.005","19.123","0.007","16.34","0.006","90","","101.904","0.005","90","","4133","3","296","2","296","2","","","","","","","","8","P 1 21/n 1","-P 2yn","14","","","","- C42 H50 Cl2 N O4 P Ru S -","- C42 H50 Cl2 N O4 P Ru S -","- C168 H200 Cl8 N4 O16 P4 Ru4 S4 -","4","1","","Maity, Suvendu; Kundu, Suman; Mondal, Sandip; Bera, Sachinath; Ghosh, Prasanta","Molecular and Electronic Structures of Ruthenium Complexes Containing an ONS-Coordinated Open-Shell π Radical and an Oxidative Aromatic Ring Cleavage Reaction.","Inorganic chemistry","2017","56","6","3363","3376","10.1021/acs.inorgchem.6b02862","","","0.71073","MoKα","","0.0633","0.044","","","0.1061","0.1166","","","","","","1.033","","","","has coordinates","194707","2020-10-21","18:00:00",""
"4345594","12.1337","0.0008","12.7972","0.0008","14.3906","0.001","83.291","0.004","81.82","0.004","66.357","0.004","2021.7","0.2","291","2","291","2","","","","","","","","7","P -1","-P 1","2","","","","- C84 H86 N2 O8 P2 Ru2 S2 -","- C84 H86 N2 O8 P2 Ru2 S2 -","- C84 H86 N2 O8 P2 Ru2 S2 -","1","0.5","","Maity, Suvendu; Kundu, Suman; Mondal, Sandip; Bera, Sachinath; Ghosh, Prasanta","Molecular and Electronic Structures of Ruthenium Complexes Containing an ONS-Coordinated Open-Shell π Radical and an Oxidative Aromatic Ring Cleavage Reaction.","Inorganic chemistry","2017","56","6","3363","3376","10.1021/acs.inorgchem.6b02862","","","0.71073","MoKα","","0.1638","0.0869","","","0.1919","0.2348","","","","","","1.03","","","","has coordinates","194707","2020-10-21","18:00:00",""
"4345595","21.3755","0.0013","12.3123","0.0008","16.8024","0.001","90","","115.037","0.002","90","","4006.6","0.4","296","2","296","2","","","","","","","","4","C 1 2/m 1","-C 2y","12","","","","- Cs2 Mo2 O8 Pb -","- Cs2 Mo2 O8 Pb -","- Cs32 Mo32 O128 Pb16 -","16","2","","Solodovnikov, Sergey F.; Atuchin, Victor V.; Solodovnikova, Zoya A.; Khyzhun, Oleg Y.; Danylenko, Mykola I.; Pishchur, Denis P.; Plyusnin, Pavel E.; Pugachev, Alexey M.; Gavrilova, Tatiana A.; Yelisseyev, Alexander P.; Reshak, Ali H.; Alahmed, Zeyad A.; Habubi, Nadir F.","Synthesis, Structural, Thermal, and Electronic Properties of Palmierite-Related Double Molybdate α-Cs2Pb(MoO4)2.","Inorganic chemistry","2017","56","6","3276","3286","10.1021/acs.inorgchem.6b02653","","","0.71073","MoKα","","0.1293","0.0584","","","0.2042","0.2405","","","","","","0.961","","","","has coordinates","194708","2020-10-21","18:00:00",""
"4345596","23.101","0.005","10.478","0.002","28.008","0.005","90","","103.2","0.003","90","","6600","2","100","2","100.15","","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C68 H104 N4 O4 U -","- C68 H104 N4 O4 U -","- C272 H416 N16 O16 U4 -","4","0.5","","Hümmer, Julian; Heinemann, Frank W.; Meyer, Karsten","Uranium Tetrakis-Aryloxide Derivatives Supported by Tetraazacyclododecane: Synthesis of Air-Stable, Coordinatively-Unsaturated U(IV) and U(V) Complexes.","Inorganic chemistry","2017","56","6","3201","3206","10.1021/acs.inorgchem.6b02123","","","0.71073","MoKα","","0.0332","0.0271","","","0.0553","0.0568","","","","","","1.054","","","","has coordinates","194709","2020-10-21","18:00:00",""
"4345597","7.8559","0.0002","19.2355","0.0004","12.1759","0.0002","90","","106.793","0.001","90","","1761.46","0.07","296","1","296","1","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C12 H28 Ge N2 S3 -","- C12 H28 Ge N2 S3 -","- C48 H112 Ge4 N8 S12 -","4","1","","Kim, Hyo-Suk; Jung, Eun Ae; Han, Seong Ho; Han, Jeong Hwan; Park, Bo Keun; Kim, Chang Gyoun; Chung, Taek-Mo","Germanium Compounds Containing Ge═E Double Bonds (E = S, Se, Te) as Single-Source Precursors for Germanium Chalcogenide Materials.","Inorganic chemistry","2017","56","7","4084","4092","10.1021/acs.inorgchem.6b02697","","","0.71073","MoKα","","0.0312","0.0228","","","0.0572","0.0609","","","","","","1.052","","","","has coordinates","194710","2020-10-21","18:00:00",""
"4345598","7.9496","0.0004","18.405","0.001","12.2204","0.0007","90","","105.087","0.003","90","","1726.37","0.16","296","1","296","1","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C12 H28 Ge N2 O2 Se -","- C12 H28 Ge N2 O2 Se -","- C48 H112 Ge4 N8 O8 Se4 -","4","1","","Kim, Hyo-Suk; Jung, Eun Ae; Han, Seong Ho; Han, Jeong Hwan; Park, Bo Keun; Kim, Chang Gyoun; Chung, Taek-Mo","Germanium Compounds Containing Ge═E Double Bonds (E = S, Se, Te) as Single-Source Precursors for Germanium Chalcogenide Materials.","Inorganic chemistry","2017","56","7","4084","4092","10.1021/acs.inorgchem.6b02697","","","0.71073","MoKα","","0.0357","0.0251","","","0.0578","0.0622","","","","","","1.015","","","","has coordinates","194711","2020-10-21","18:00:00",""
"4345599","10.2777","0.0005","20.7747","0.0012","24.3635","0.0014","84.944","0.002","82.224","0.002","79.868","0.002","5062.7","0.5","271","2","271","2","","","","","","","","6","P -1","-P 1","2","","","","- C115 H87 Eu2 N14 O16 Zn0 -","- C115 H87 Eu2 N14 O16 -","- C230 H174 Eu4 N28 O32 -","2","1","","Liu, Jingjuan; Ji, Guanfeng; Xiao, Jiannan; Liu, Zhiliang","Ultrastable 1D Europium Complex for Simultaneous and Quantitative Sensing of Cr(III) and Cr(VI) Ions in Aqueous Solution with High Selectivity and Sensitivity.","Inorganic chemistry","2017","56","7","4197","4205","10.1021/acs.inorgchem.7b00157","","","0.71073","MoKα","","0.0445","0.0332","","","0.0697","0.0732","","","","","","1.1","","","","has coordinates","194712","2020-10-21","18:00:00",""
"4345600","10.6082","0.0004","10.3304","0.0004","11.6143","0.0005","90","","97.762","0.002","90","","1261.11","0.09","120","2","120","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C4 H8 Ag2 B12 Cl8 F12 -","- C4 H8 Ag2 B12 Cl8 F12 -","- C8 H16 Ag4 B24 Cl16 F24 -","2","0.5","","Peryshkov, Dmitry V.; Strauss, Steven H.","Exceptional Structural Compliance of the B12F12(2-) Superweak Anion.","Inorganic chemistry","2017","56","7","4072","4083","10.1021/acs.inorgchem.7b00051","","","0.71073","MoKα","","0.0182","0.0171","","","0.0437","0.0441","","","","","","1.177","","","","has coordinates","194714","2020-10-21","18:00:00",""
"4345601","19.0101","0.0007","10.8618","0.0004","20.8485","0.0008","90","","109.388","0.002","90","","4060.8","0.3","100","2","100","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C34 H28 Cl2 N6 O7 Re2 -","- C34 H28 Cl2 N6 O7 Re2 -","- C136 H112 Cl8 N24 O28 Re8 -","4","1","","Wilting, Alexander; Stolper, Thorsten; Mata, Ricardo A.; Siewert, Inke","Dinuclear Rhenium Complex with a Proton Responsive Ligand as a Redox Catalyst for the Electrochemical CO2 Reduction.","Inorganic chemistry","2017","56","7","4176","4185","10.1021/acs.inorgchem.7b00178","","","0.71073","MoKα","","0.034","0.0252","","","0.0493","0.0523","","","","","","1.062","","","","has coordinates,has disorder","194715","2020-10-21","18:00:00",""
"4345602","20.122","0.002","19.3936","0.0019","23.387","0.002","90","","96.273","0.004","90","","9071.9","1.5","170","","170","","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C82 H107 Cl2 N4 O13 U3 -","- C82 H107 Cl2 N4 O13 U3 -","- C328 H428 Cl8 N16 O52 U12 -","4","1","","Yoshimura, Takashi; Nakaguchi, Masayuki; Morimoto, Keisuke","Synthesis, Structures, and Proton Self-Exchange Reaction of μ3-Oxido/Hydroxido Bridged Trinuclear Uranyl(VI) Complexes with Tridentate Schiff-Base Ligands.","Inorganic chemistry","2017","56","7","4057","4064","10.1021/acs.inorgchem.6b03175","","","0.71075","MoKα","","0.1324","0.0884","","","0.2209","0.2455","","","","","","1.028","","","","has coordinates","194717","2020-10-21","18:00:00",""
"4345603","29.568","0.002","20.41","0.002","32.677","0.002","90","","102.083","0.007","90","","19283","3","170","","170","","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C174 H224 N10 O36 U6 -","- C174 H224 N10 O36 U6 -","- C696 H896 N40 O144 U24 -","4","1","","Yoshimura, Takashi; Nakaguchi, Masayuki; Morimoto, Keisuke","Synthesis, Structures, and Proton Self-Exchange Reaction of μ3-Oxido/Hydroxido Bridged Trinuclear Uranyl(VI) Complexes with Tridentate Schiff-Base Ligands.","Inorganic chemistry","2017","56","7","4057","4064","10.1021/acs.inorgchem.6b03175","","","0.71075","MoKα","","0.2069","0.1199","","","0.1876","0.2168","","","","","","1.142","","","","has coordinates","194717","2020-10-21","18:00:00",""
"4345604","24.515","0.005","9.8624","0.0019","19.371","0.004","90","","101.521","0.003","90","","4589.1","1.6","203","2","203","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C47 H34 F9 La N6 O7 -","- C47 H34 F9 La N6 O7 -","- C188 H136 F36 La4 N24 O28 -","4","1","","Lin, Li-Rong; Tang, Hui-Hui; Wang, Yun-Guang; Wang, Xuan; Fang, Xue-Ming; Ma, Li-Hua","Functionalized Lanthanide(III) Complexes Constructed from Azobenzene Derivative and β-Diketone Ligands: Luminescent, Magnetic, and Reversible Trans-to-Cis Photoisomerization Properties.","Inorganic chemistry","2017","56","7","3889","3900","10.1021/acs.inorgchem.6b02819","","","0.71073","MoKα","","0.0725","0.0619","","","0.1299","0.1357","","","","","","1.144","","","","has coordinates","194719","2020-10-21","18:00:00",""
"4345605","24.109","0.007","9.717","0.003","19.229","0.005","90","","102.483","0.005","90","","4398","2","203","2","203","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C47 H34 Eu F9 N6 O7 -","- C47 H34 Eu F9 N6 O7 -","- C188 H136 Eu4 F36 N24 O28 -","4","1","","Lin, Li-Rong; Tang, Hui-Hui; Wang, Yun-Guang; Wang, Xuan; Fang, Xue-Ming; Ma, Li-Hua","Functionalized Lanthanide(III) Complexes Constructed from Azobenzene Derivative and β-Diketone Ligands: Luminescent, Magnetic, and Reversible Trans-to-Cis Photoisomerization Properties.","Inorganic chemistry","2017","56","7","3889","3900","10.1021/acs.inorgchem.6b02819","","","0.71073","MoKα","","0.0632","0.0414","","","0.0964","0.1023","","","","","","0.906","","","","has coordinates","194719","2020-10-21","18:00:00",""
"4345606","25.9806","0.0011","9.7415","0.0004","19.6248","0.0007","90","","95.271","0.001","90","","4945.8","0.3","203","2","203","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C49 H39 F9 La N7 O7 -","- C49 H39 F9 La N7 O7 -","- C196 H156 F36 La4 N28 O28 -","4","1","","Lin, Li-Rong; Tang, Hui-Hui; Wang, Yun-Guang; Wang, Xuan; Fang, Xue-Ming; Ma, Li-Hua","Functionalized Lanthanide(III) Complexes Constructed from Azobenzene Derivative and β-Diketone Ligands: Luminescent, Magnetic, and Reversible Trans-to-Cis Photoisomerization Properties.","Inorganic chemistry","2017","56","7","3889","3900","10.1021/acs.inorgchem.6b02819","","","0.71073","MoKα","","0.095","0.0495","","","0.1104","0.1404","","","","","","1.072","","","","has coordinates","194719","2020-10-21","18:00:00",""
"4345607","25.785","0.005","9.6947","0.0017","19.5","0.003","90","","96.132","0.004","90","","4846.7","1.5","203","2","203","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C49 H39 F9 Gd N7 O7 -","- C49 H39 F9 Gd N7 O7 -","- C196 H156 F36 Gd4 N28 O28 -","4","1","","Lin, Li-Rong; Tang, Hui-Hui; Wang, Yun-Guang; Wang, Xuan; Fang, Xue-Ming; Ma, Li-Hua","Functionalized Lanthanide(III) Complexes Constructed from Azobenzene Derivative and β-Diketone Ligands: Luminescent, Magnetic, and Reversible Trans-to-Cis Photoisomerization Properties.","Inorganic chemistry","2017","56","7","3889","3900","10.1021/acs.inorgchem.6b02819","","","0.71073","MoKα","","0.1253","0.0824","","","0.1453","0.1615","","","","","","1.144","","","","has coordinates","194719","2020-10-21","18:00:00",""
"4345608","23.621","0.005","23.621","0.005","62.101","0.005","90","0.005","90","0.005","90","0.005","34649","11","110","2","110","2","","","","","","","","5","I 41","I 4bw","80","","","","- C144 H128 Mn4 N32 Nb2 -","- C144 H128 Mn4 N32 Nb2 -","- C1152 H1024 Mn32 N256 Nb16 -","8","1","","Arczyński, Mirosław; Rams, Michał; Stanek, Jan; Fitta, Magdalena; Sieklucka, Barbara; Dunbar, Kim R.; Pinkowicz, Dawid","A Family of Octahedral Magnetic Molecules Based on [Nb(IV)(CN)8](4).","Inorganic chemistry","2017","56","7","4021","4027","10.1021/acs.inorgchem.6b03134","","","0.71073","MoKα","","0.0922","0.0844","","","0.226","0.2352","","","","","","1.063","","","","has coordinates","264242","2021-04-16","08:52:18",""
"4345609","22.9169","0.0001","22.9169","0.0001","62.7877","0.0008","90","","90","","90","","32975.1","0.5","110","2","110","2","","","","","","","","5","I 41","I 4bw","80","","","","- C144 H128 Fe4 N32 Nb2 -","- C144 H128 Fe4 N32 Nb2 -","- C1152 H1024 Fe32 N256 Nb16 -","8","1","","Arczyński, Mirosław; Rams, Michał; Stanek, Jan; Fitta, Magdalena; Sieklucka, Barbara; Dunbar, Kim R.; Pinkowicz, Dawid","A Family of Octahedral Magnetic Molecules Based on [Nb(IV)(CN)8](4).","Inorganic chemistry","2017","56","7","4021","4027","10.1021/acs.inorgchem.6b03134","","","1.54184","CuKα","","0.1142","0.0663","","","0.1737","0.1956","","","","","","1.008","","","","has coordinates","264242","2021-04-16","08:52:18",""
"4345610","4.256","0.002","4.256","0.002","34.905","0.002","90","","90","","120","","547.5","0.4","293","2","293","2","","","","","","","","3","P 65 2 2","P 65 2 (0 0 1)","179","Nickel tetraborate","NiB4O7","","- B4 Ni O7 -","- B4 Ni O7 -","- B24 Ni6 O42 -","6","0.5","","Schmitt, Martin K.; Janka, Oliver; Niehaus, Oliver; Dresselhaus, Thomas; Pöttgen, Rainer; Pielnhofer, Florian; Weihrich, Richard; Krzhizhanovskaya, Maria; Filatov, Stanislav; Bubnova, Rimma; Bayarjargal, Lkhamsuren; Winkler, Björn; Glaum, Robert; Huppertz, Hubert","Synthesis and Characterization of the High-Pressure Nickel Borate γ-NiB4O7.","Inorganic chemistry","2017","56","7","4217","4228","10.1021/acs.inorgchem.7b00243","","","0.71073","MoKα","","0.0183","0.018","","","0.047","0.0471","","","","","","1.219","","","","has coordinates","194723","2020-10-21","18:00:00",""
"4345611","10.815","0.005","12.162","0.005","14.728","0.005","92.283","0.005","98.303","0.007","97.026","0.006","1899.2","1.3","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","","","- C33 H43 N16 O S3 -","- C33 H43 N16 O S3 -","- C66 H86 N32 O2 S6 -","2","1","","Saravanan, R. Kamal; Saha, Prithwidip; Venkatesh, Viruthakasi; Gopakumar, Thiruvancheril G.; Verma, Sandeep","Coordination-Controlled One-Dimensional Molecular Chains in Hexapodal Adenine-Silver Ultrathin Films.","Inorganic chemistry","2017","56","7","3976","3982","10.1021/acs.inorgchem.6b03090","","","0.71073","MoKα","","0.1233","0.0688","","","0.1617","0.208","","","","","","1.029","","","","has coordinates","194724","2020-10-21","18:00:00",""
"4345612","12.4421","0.0011","12.7907","0.0011","19.5358","0.0017","76.669","0.001","78.676","0.001","75.112","0.001","2892.4","0.4","100","2","100","2","","","","","","","","7","P -1","-P 1","2","","","","- C30 H49 Ag3 Cl6 N15 O31 S3 -","- C30 H49 Ag3 Cl6 N15 O31 S3 -","- C60 H98 Ag6 Cl12 N30 O62 S6 -","2","1","","Saravanan, R. Kamal; Saha, Prithwidip; Venkatesh, Viruthakasi; Gopakumar, Thiruvancheril G.; Verma, Sandeep","Coordination-Controlled One-Dimensional Molecular Chains in Hexapodal Adenine-Silver Ultrathin Films.","Inorganic chemistry","2017","56","7","3976","3982","10.1021/acs.inorgchem.6b03090","","","0.71073","MoKα","","0.0763","0.0744","","","0.171","0.1723","","","","","","1.027","","","","has coordinates","194724","2020-10-21","18:00:00",""
"4345613","9.0213","0.0009","15.0522","0.0016","16.1154","0.0016","106.069","0.002","92.379","0.002","93.841","0.002","2094","0.4","100","2","100","2","","","","","","","","6","P -1","-P 1","2","","","","- C25 H56 Cl4 Cu2 N8 O19 -","- C25 H56 Cl4 Cu2 N8 O19 -","- C50 H112 Cl8 Cu4 N16 O38 -","2","1","","Seebald, Leah M.; DeMott, Christopher M.; Ranganathan, Srivathsan; Asare Okai, Papa Nii; Glazunova, Anastasia; Chen, Alan; Shekhtman, Alexander; Royzen, Maksim","Cu(II)-Based Paramagnetic Probe to Study RNA-Protein Interactions by NMR.","Inorganic chemistry","2017","56","7","3773","3780","10.1021/acs.inorgchem.6b02286","","","0.71073","MoKα","","0.043","0.0316","","","0.0745","0.0794","","","","","","1.05","","","","has coordinates,has disorder","194725","2020-10-21","18:00:00",""
"4345614","41.196","0.005","41.196","0.005","41.196","0.005","90","","90","","90","","69914","15","100","2","100","2","","","","","","","","6","F m -3 m","-F 4 2 3","225","LiU24Fe24","U-Fe cluster","","- C96 Fe48 Li12 O956 P112 U48 -","- C96 Fe48 Li12 O956 P112 U48 -","- C192 Fe96 Li24 O1912 P224 U96 -","2","0.0104167","","Qiu, Jie; Dong, Sining; Szymanowski, Jennifer E. S.; Dobrowolska, Malgorzata; Burns, Peter C.","Uranyl-Peroxide Clusters Incorporating Iron Trimers and Bridging by Bisphosphonate- and Carboxylate-Containing Ligands.","Inorganic chemistry","2017","56","7","3738","3741","10.1021/acs.inorgchem.7b00389","","","0.71073","MoKα","","0.1218","0.0865","","","0.2495","0.3012","","","","","","1.113","","","","has coordinates","194726","2020-10-21","18:00:00",""
"4345615","12.1268","0.0005","14.4944","0.0006","19.9579","0.0008","87.043","0.003","87.267","0.003","89.483","0.003","3499.3","0.2","103","2","103","2","","","","","","","","6","P -1","-P 1","2","","","","- C170 H140 B4 Na2 O4 P2 -","- C169.986 H139.984 B4 Na2 O4 P2 -","- C169.986 H139.984 B4 Na2 O4 P2 -","1","0.5","","Li, Yan; Siwatch, Rahul Kumar; Mondal, Totan; Li, Yongxin; Ganguly, Rakesh; Koley, Debasis; So, Cheuk-Wai","Diverse Bonding Activations in the Reactivity of a Pentaphenylborole toward Sodium Phosphaethynolate: Heterocycle Synthesis and Mechanistic Studies.","Inorganic chemistry","2017","56","7","4112","4120","10.1021/acs.inorgchem.7b00128","","","0.71073","MoKα","","0.1821","0.1006","","","0.2519","0.3019","","","","","","1.057","","","","has coordinates,has disorder","194727","2020-10-21","18:00:00",""
"4345616","10.6094","0.0003","18.2183","0.0005","30.1202","0.001","90","","91.5576","0.0016","90","","5819.6","0.3","103","2","103","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C75 H77 B N2 -","- C75 H77 B N2 -","- C300 H308 B4 N8 -","4","1","","Li, Yan; Siwatch, Rahul Kumar; Mondal, Totan; Li, Yongxin; Ganguly, Rakesh; Koley, Debasis; So, Cheuk-Wai","Diverse Bonding Activations in the Reactivity of a Pentaphenylborole toward Sodium Phosphaethynolate: Heterocycle Synthesis and Mechanistic Studies.","Inorganic chemistry","2017","56","7","4112","4120","10.1021/acs.inorgchem.7b00128","","","0.71073","MoKα","","0.1024","0.0523","","","0.1054","0.1282","","","","","","1.015","","","","has coordinates,has disorder","194727","2020-10-21","18:00:00",""
"4345617","10.8795","0.0004","13.8762","0.0006","17.5684","0.0007","108.268","0.003","90.442","0.003","107.481","0.003","2387","0.18","103","2","103","2","","","","","","","","5","P -1","-P 1","2","","","","- C58 H62 B N3 Si -","- C58 H62 B N3 Si -","- C116 H124 B2 N6 Si2 -","2","1","","Li, Yan; Siwatch, Rahul Kumar; Mondal, Totan; Li, Yongxin; Ganguly, Rakesh; Koley, Debasis; So, Cheuk-Wai","Diverse Bonding Activations in the Reactivity of a Pentaphenylborole toward Sodium Phosphaethynolate: Heterocycle Synthesis and Mechanistic Studies.","Inorganic chemistry","2017","56","7","4112","4120","10.1021/acs.inorgchem.7b00128","","","0.71073","MoKα","","0.1877","0.0894","","","0.1971","0.2498","","","","","","1.063","","","","has coordinates,has disorder","194727","2020-10-21","18:00:00",""
"4345618","11.0957","0.0003","11.765","0.0003","19.1624","0.0005","94.6072","0.0018","100.209","0.0016","92.3143","0.0017","2450.12","0.11","103","2","103","2","","","","","","","","4","P -1","-P 1","2","","","","- C62.5 H63 B N2 -","- C62.5 H63 B N2 -","- C125 H126 B2 N4 -","2","1","","Li, Yan; Siwatch, Rahul Kumar; Mondal, Totan; Li, Yongxin; Ganguly, Rakesh; Koley, Debasis; So, Cheuk-Wai","Diverse Bonding Activations in the Reactivity of a Pentaphenylborole toward Sodium Phosphaethynolate: Heterocycle Synthesis and Mechanistic Studies.","Inorganic chemistry","2017","56","7","4112","4120","10.1021/acs.inorgchem.7b00128","","","0.71073","MoKα","","0.0807","0.0502","","","0.1176","0.1363","","","","","","1.022","","","","has coordinates,has disorder","194727","2020-10-21","18:00:00",""
"4345619","13.7108","0.0019","15.384","0.002","19.356","0.003","95.385","0.003","93.074","0.003","90.727","0.003","4058.2","1","173","","173","","","","","","","","","6","P -1","-P 1","2","","","","- C48 H108 N3 O40 P W12 -","- C48 H108 N3 O40 P W12 -","- C96 H216 N6 O80 P2 W24 -","2","1","","Ueda, Tadaharu; Kodani, Keisuke; Ota, Hiromi; Shiro, Motoo; Guo, Si-Xuan; Boas, John F.; Bond, Alan M.","Voltammetric and Spectroscopic Studies of α- and β-[PW12O40](3-) Polyoxometalates in Neutral and Acidic Media: Structural Characterization as Their [(n-Bu4N)3][PW12O40] Salts.","Inorganic chemistry","2017","56","7","3990","4001","10.1021/acs.inorgchem.6b03046","","","0.71075","MoKα","","0.094","0.0791","","","0.197","0.2078","","","","","","1.025","","","","has coordinates,has disorder","194728","2020-10-21","18:00:00",""
"4345620","7.6148","0.0007","12.4146","0.0011","21.862","0.002","90","","90.497","0.005","90","","2066.6","0.3","296","2","296","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- O21 P7 Rb3 Sr2 -","- O21 P7 Rb3 Sr2 -","- O84 P28 Rb12 Sr8 -","4","1","","Abudoureheman, Maierhaba; Han, Shujuan; Wang, Ying; Lei, Bing-Hua; Yang, Zhihua; Pan, Shilie","A3Sr2P7O21 (A = Rb, Cs): Two Polyphosphates Based on Different Types of P-O Chains and Ring Structures.","Inorganic chemistry","2017","56","7","3939","3945","10.1021/acs.inorgchem.6b03032","","","0.71073","MoKα","","0.0554","0.037","","","0.0695","0.074","","","","","","1.081","","","","has coordinates","194729","2020-10-21","18:00:00",""
"4345621","14.219","0.002","17.081","0.003","25.463","0.004","99.33","0.002","90.523","0.003","105.789","0.003","5863","1.6","150","2","150","2","","","","","","","","6","P -1","-P 1","2","","","","- C83 H152 N2 Nd5 O47 P6 -","- C83 H152 N2 Nd5 O47 P6 -","- C166 H304 N4 Nd10 O94 P12 -","2","1","","Gupta, Sandeep K.; Langley, Stuart K.; Sharma, Kamna; Murray, Keith S.; Murugavel, Ramaswamy","Pentanuclear Lanthanide Mono-organophosphates: Synthesis, Structure, and Magnetism.","Inorganic chemistry","2017","56","7","3946","3960","10.1021/acs.inorgchem.6b03014","","","0.71075","MoKα","","0.0493","0.0479","","","0.117","0.1181","","","","","","1.073","","","","has coordinates,has disorder","194730","2020-10-21","18:00:00",""
"4345622","14.157","0.002","17.015","0.003","25.38","0.004","99.338","0.003","90.654","0.001","105.732","0.004","5796.7","1.6","150","2","150","2","","","","","","","","6","P -1","-P 1","2","","","","- C84 H154 N2 O47 P6 Sm5 -","- C84 H154 N2 O47 P6 Sm5 -","- C168 H308 N4 O94 P12 Sm10 -","2","1","","Gupta, Sandeep K.; Langley, Stuart K.; Sharma, Kamna; Murray, Keith S.; Murugavel, Ramaswamy","Pentanuclear Lanthanide Mono-organophosphates: Synthesis, Structure, and Magnetism.","Inorganic chemistry","2017","56","7","3946","3960","10.1021/acs.inorgchem.6b03014","","","0.71075","MoKα","","0.044","0.0425","","","0.0956","0.0968","","","","","","1.124","","","","has coordinates,has disorder","194730","2020-10-21","18:00:00",""
"4345623","14.125","0.003","16.97","0.004","25.374","0.005","99.462","0.003","90.702","0.003","105.645","0.004","5767","2","150","2","150","2","","","","","","","","6","P -1","-P 1","2","","","","- C84 H153 Eu5 N2 O47 P6 -","- C84 H153 Eu5 N2 O47 P6 -","- C168 H306 Eu10 N4 O94 P12 -","2","1","","Gupta, Sandeep K.; Langley, Stuart K.; Sharma, Kamna; Murray, Keith S.; Murugavel, Ramaswamy","Pentanuclear Lanthanide Mono-organophosphates: Synthesis, Structure, and Magnetism.","Inorganic chemistry","2017","56","7","3946","3960","10.1021/acs.inorgchem.6b03014","","","0.71075","MoKα","","0.0326","0.0316","","","0.078","0.0787","","","","","","1.076","","","","has coordinates,has disorder","194730","2020-10-21","18:00:00",""
"4345624","14.124","0.002","16.848","0.003","25.418","0.004","99.442","0.003","90.785","0.003","105.199","0.003","5747.6","1.6","150","2","150","2","","","","","","","","6","P -1","-P 1","2","","","","- C83 H141 N2 O47 P6 Tb5 -","- C83 H141 N2 O47 P6 Tb5 -","- C166 H282 N4 O94 P12 Tb10 -","2","1","","Gupta, Sandeep K.; Langley, Stuart K.; Sharma, Kamna; Murray, Keith S.; Murugavel, Ramaswamy","Pentanuclear Lanthanide Mono-organophosphates: Synthesis, Structure, and Magnetism.","Inorganic chemistry","2017","56","7","3946","3960","10.1021/acs.inorgchem.6b03014","","","0.71075","MoKα","","0.0432","0.0424","","","0.1034","0.1039","","","","","","1.128","","","","has coordinates,has disorder","194730","2020-10-21","18:00:00",""
"4345625","15.213","0.002","15.987","0.002","26.093","0.004","94.125","0.002","99.124","0.003","106.545","0.002","5960.2","1.4","150","2","150","2","","","","","","","","6","P -1","-P 1","2","","","","- C85 H154 Dy5 N4 O48 P6 -","- C85 H154 Dy5 N4 O48 P6 -","- C170 H308 Dy10 N8 O96 P12 -","2","1","","Gupta, Sandeep K.; Langley, Stuart K.; Sharma, Kamna; Murray, Keith S.; Murugavel, Ramaswamy","Pentanuclear Lanthanide Mono-organophosphates: Synthesis, Structure, and Magnetism.","Inorganic chemistry","2017","56","7","3946","3960","10.1021/acs.inorgchem.6b03014","","","0.71075","MoKα","","0.0309","0.0298","","","0.0737","0.0747","","","","","","1.07","","","","has coordinates,has disorder","194730","2020-10-21","18:00:00",""
"4345626","15.264","0.004","15.993","0.004","26.04","0.006","93.585","0.004","99.456","0.003","106.49","0.003","5972","3","150","2","150","2","","","","","","","","6","P -1","-P 1","2","","","","- C85 H155 Ho5 N4 O48 P6 -","- C85 H155 Ho5 N4 O48 P6 -","- C170 H310 Ho10 N8 O96 P12 -","2","1","","Gupta, Sandeep K.; Langley, Stuart K.; Sharma, Kamna; Murray, Keith S.; Murugavel, Ramaswamy","Pentanuclear Lanthanide Mono-organophosphates: Synthesis, Structure, and Magnetism.","Inorganic chemistry","2017","56","7","3946","3960","10.1021/acs.inorgchem.6b03014","","","0.71075","MoKα","","0.043","0.0412","","","0.0984","0.1004","","","","","","1.115","","","","has coordinates,has disorder","194730","2020-10-21","18:00:00",""
"4345627","15.253","0.003","16.025","0.003","26.013","0.005","93.779","0.003","99.26","0.002","106.619","0.002","5971","2","150","2","150","2","","","","","","","","6","P -1","-P 1","2","","","","- C85 H154 Er5 N4 O48 P6 -","- C85 H154 Er5 N4 O48 P6 -","- C170 H308 Er10 N8 O96 P12 -","2","1","","Gupta, Sandeep K.; Langley, Stuart K.; Sharma, Kamna; Murray, Keith S.; Murugavel, Ramaswamy","Pentanuclear Lanthanide Mono-organophosphates: Synthesis, Structure, and Magnetism.","Inorganic chemistry","2017","56","7","3946","3960","10.1021/acs.inorgchem.6b03014","","","0.71075","MoKα","","0.0404","0.0384","","","0.0911","0.0929","","","","","","1.069","","","","has coordinates,has disorder","194730","2020-10-21","18:00:00",""
"4345628","14.8572","0.0016","34.89","0.004","24.726","0.003","90","","90.716","0.002","90","","12816","3","150","2","150","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C94 H164 O41 P7 Tm5 -","- C94 H164 O41 P7 Tm5 -","- C376 H656 O164 P28 Tm20 -","4","1","","Gupta, Sandeep K.; Langley, Stuart K.; Sharma, Kamna; Murray, Keith S.; Murugavel, Ramaswamy","Pentanuclear Lanthanide Mono-organophosphates: Synthesis, Structure, and Magnetism.","Inorganic chemistry","2017","56","7","3946","3960","10.1021/acs.inorgchem.6b03014","","","0.71075","MoKα","","0.0656","0.0531","","","0.1263","0.1291","","","","","","1.105","","","","has coordinates","194730","2020-10-21","18:00:00",""
"4345629","21.9599","0.0009","13.8939","0.0004","24.2344","0.001","90","","115.971","0.0015","90","","6647.4","0.4","296","","296","","","","","","","","","8","C 1 2/c 1","-C 2yc","15","","","","- C30.5 H32 F6 N5 O1.5 P Ru S -","- C30.5 H30 F6 N5 O1.5 P Ru S -","- C244 H240 F48 N40 O12 P8 Ru8 S8 -","8","1","","Smithen, Deborah A.; Yin, Huimin; Beh, Michael H. R.; Hetu, Marc; Cameron, T. Stanley; McFarland, Sherri A.; Thompson, Alison","Synthesis and Photobiological Activity of Ru(II) Dyads Derived from Pyrrole-2-carboxylate Thionoesters.","Inorganic chemistry","2017","56","7","4121","4132","10.1021/acs.inorgchem.7b00072","","","0.71075","MoKα","","","0.0517","","","","0.1642","","","","","","1.043","","","","has coordinates","194731","2020-10-21","18:00:00",""
"4345630","11.4722","0.0004","19.6547","0.0006","12.9181","0.0004","90","","94.479","0.001","90","","2903.91","0.16","120","","120.15","","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C34 H60 Cu6 N4 O24 Si10 -","- C34 H60 Cu6 N4 O24 Si10 -","- C68 H120 Cu12 N8 O48 Si20 -","2","0.5","","Bilyachenko, Alexey N.; Kulakova, Alena N.; Levitsky, Mikhail M.; Petrov, Artem A.; Korlyukov, Alexander A.; Shul'pina, Lidia S.; Khrustalev, Victor N.; Dorovatovskii, Pavel V.; Vologzhanina, Anna V.; Tsareva, Ulyana S.; Golub, Igor E.; Gulyaeva, Ekaterina S.; Shubina, Elena S.; Shul'pin, Georgiy B.","Unusual Tri-, Hexa-, and Nonanuclear Cu(II) Cage Methylsilsesquioxanes: Synthesis, Structures, and Catalytic Activity in Oxidations with Peroxides.","Inorganic chemistry","2017","56","7","4093","4103","10.1021/acs.inorgchem.7b00061","","","0.71073","MoKα","","0.0531","0.0311","","","0.0817","0.092","","","","","","1.027","","","","has coordinates","194732","2020-10-21","18:00:00",""
"4345631","30.75","0.006","20.975","0.004","15.835","0.003","90","","90","","90","","10213","3","100","","100.15","","","","","","","","","6","P n m a","-P 2ac 2n","62","","","","- C34 H103 Cu9 O45 S8 Si18 -","- C34 H103 Cu9 O45 S8 Si18 -","- C136 H412 Cu36 O180 S32 Si72 -","4","0.5","","Bilyachenko, Alexey N.; Kulakova, Alena N.; Levitsky, Mikhail M.; Petrov, Artem A.; Korlyukov, Alexander A.; Shul'pina, Lidia S.; Khrustalev, Victor N.; Dorovatovskii, Pavel V.; Vologzhanina, Anna V.; Tsareva, Ulyana S.; Golub, Igor E.; Gulyaeva, Ekaterina S.; Shubina, Elena S.; Shul'pin, Georgiy B.","Unusual Tri-, Hexa-, and Nonanuclear Cu(II) Cage Methylsilsesquioxanes: Synthesis, Structures, and Catalytic Activity in Oxidations with Peroxides.","Inorganic chemistry","2017","56","7","4093","4103","10.1021/acs.inorgchem.7b00061","","","0.987","synchrotron","","0.1733","0.1342","","","0.3459","0.3703","","","","","","1.03","","","","has coordinates","194733","2020-10-21","18:00:00",""
"4345632","7.8936","0.0004","12.0734","0.0006","15.5768","0.0007","83.375","0.002","76.528","0.002","77.644","0.002","1406.86","0.12","293","2","293","2","","","","","","","","4","P -1","-P 1","2","","Co(Buacac)3","","- C27 H45 Co O6 -","- C27 H45 Co O6 -","- C54 H90 Co2 O12 -","2","1","","Cortijo, Miguel; Viala, Christine; Reynaldo, Thibault; Favereau, Ludovic; Fabing, Isabelle; Srebro-Hooper, Monika; Autschbach, Jochen; Ratel-Ramond, Nicolas; Crassous, Jeanne; Bonvoisin, Jacques","Synthesis, Spectroelectrochemical Behavior, and Chiroptical Switching of Tris(β-diketonato) Complexes of Ruthenium(III), Chromium(III), and Cobalt(III)","Inorganic Chemistry","2017","","","","","10.1021/acs.inorgchem.6b03094","","","0.71073","MoKα","","0.0793","0.0564","","","","0.1773","","","","","","1.062","","","","has coordinates","195201","2020-10-21","18:00:00",""
"4345633","14.0011","0.0001","14.0011","0.0001","8.3472","0.0002","90","","90","","120","","1417.08","0.04","295","","295","","","","","","","","","5","P -3","-P 3","147","Tmtrenovan","","","- C30 H33 N4 O6 Tm -","- C30 H33 N4 O6 Tm -","- C60 H66 N8 O12 Tm2 -","2","0.333333","","Lucaccini, Eva; Baldoví, José J; Chelazzi, Laura; Barra, Anne-Laure; Grepioni, Fabrizia; Costes, Jean-Pierre; Sorace, Lorenzo","Electronic Structure and Magnetic Anisotropy in Lanthanoid Single-Ion Magnets with C3 Symmetry: The Ln(trenovan) Series.","Inorganic chemistry","2017","56","8","4729","4739","10.1021/acs.inorgchem.7b00413","powder diffraction","","1.54175","CuKα","","","","","","","","","","1.95","","","","","","","has coordinates","196111","2020-10-21","18:00:00",""
"4345634","14.24","0.001","14.24","0.001","8.121","0.001","90","","90","","120","","1426.1","0.2","293","","293","","","","","","","","","5","P -3","-P 3","147","Gdtrenovan","","","- C30 H33 Gd N4 O6 -","- C30 H33 Gd N4 O6 -","- C60 H66 Gd2 N8 O12 -","2","0.333333","","Lucaccini, Eva; Baldoví, José J; Chelazzi, Laura; Barra, Anne-Laure; Grepioni, Fabrizia; Costes, Jean-Pierre; Sorace, Lorenzo","Electronic Structure and Magnetic Anisotropy in Lanthanoid Single-Ion Magnets with C3 Symmetry: The Ln(trenovan) Series.","Inorganic chemistry","2017","56","8","4729","4739","10.1021/acs.inorgchem.7b00413","powder diffraction","","1.54175","CuKα","","","","","","","","","","1.21","","","","","","","has coordinates","196111","2020-10-21","18:00:00",""
"4345635","38.399","0.006","38.399","0.006","38.399","0.006","90","","90","","90","","56619","15","8","","8","","","","","","","","","6","I m -3 m","-I 4 2 3","229","","","","- C150 H72 Co3 N12 O70 Zr12 -","- C150 H72 Co3 N12 O70 Zr12 -","- C600 H288 Co12 N48 O280 Zr48 -","4","0.0416667","","Gallagher, Audrey T.; Malliakas, Christos D.; Harris, T. David","CO Binding at a Four-Coordinate Cobaltous Porphyrin Site in a Metal-Organic Framework: Structural, EPR, and Gas Adsorption Analysis.","Inorganic chemistry","2017","56","8","4655","4662","10.1021/acs.inorgchem.7b00292","","x-ray","0.71073","MoKα","","0.148","0.1084","","","0.1653","0.173","","","","2.05","2.05","1.68","","","","has coordinates","196112","2020-10-21","18:00:00",""
"4345636","38.4988","0.0008","38.4988","0.0008","38.4988","0.0008","90","","90","","90","","57061","2","200","","200","","","","","","","","","6","I m -3 m","-I 4 2 3","229","","","","- C146.9 H72 Co3 N12 O66.9 Zr12 -","- C146.903 H72 Co3 N12 O66.9028 Zr12 -","- C587.611 H288 Co12 N48 O267.611 Zr48 -","4","0.0416667","","Gallagher, Audrey T.; Malliakas, Christos D.; Harris, T. David","CO Binding at a Four-Coordinate Cobaltous Porphyrin Site in a Metal-Organic Framework: Structural, EPR, and Gas Adsorption Analysis.","Inorganic chemistry","2017","56","8","4655","4662","10.1021/acs.inorgchem.7b00292","","","1.54178","CuKα","","0.1203","0.1013","","","0.2959","0.3145","","","","","","1.288","","","","has coordinates","196112","2020-10-21","18:00:00",""
"4345637","38.5333","0.0008","38.5333","0.0008","38.5333","0.0008","90","","90","","90","","57215","2","150","","150","","","","","","","","","6","I m -3 m","-I 4 2 3","229","","","","- C146.89 H72 Co3 N12 O66.89 Zr12 -","- C146.892 H72 Co3 N12 O66.892 Zr12 -","- C587.568 H288 Co12 N48 O267.568 Zr48 -","4","0.0416667","","Gallagher, Audrey T.; Malliakas, Christos D.; Harris, T. David","CO Binding at a Four-Coordinate Cobaltous Porphyrin Site in a Metal-Organic Framework: Structural, EPR, and Gas Adsorption Analysis.","Inorganic chemistry","2017","56","8","4655","4662","10.1021/acs.inorgchem.7b00292","","","1.54178","CuKα","","0.1239","0.1117","","","0.3476","0.3633","","","","","","1.548","","","","has coordinates","196112","2020-10-21","18:00:00",""
"4345638","9.7987","0.0012","17.6065","0.0016","15.976","0.002","90","","91.458","0.01","90","","2755.3","0.5","100","2","100","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C27 H38 B Fe N7 -","- C27 H38 B Fe N7 -","- C108 H152 B4 Fe4 N28 -","4","1","","Bucinsky, Lukas; Breza, Martin; Lee, Wei-Tsung; Hickey, Anne K.; Dickie, Diane A.; Nieto, Ismael; DeGayner, Jordan A.; Harris, T. David; Meyer, Karsten; Krzystek, J.; Ozarowski, Andrew; Nehrkorn, Joscha; Schnegg, Alexander; Holldack, Karsten; Herber, Rolfe H.; Telser, Joshua; Smith, Jeremy M.","Spectroscopic and Computational Studies of Spin States of Iron(IV) Nitrido and Imido Complexes.","Inorganic chemistry","2017","56","8","4752","4769","10.1021/acs.inorgchem.7b00512","","","0.71073","MoKα","","0.2307","0.0827","","","0.0986","0.1342","","","","","","0.79","","","","has coordinates","196113","2020-10-21","18:00:00",""
"4345639","12.3215","0.001","30.711","0.003","22.7224","0.0018","90","","94.229","0.002","90","","8574.9","1.3","296","2","296","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C26 H17 N O12 Zn2.5 -","- C26 H17 N O12 Zn2.5 -","- C208 H136 N8 O96 Zn20 -","8","1","","Liu, Bo; Zhang, Rui; Pan, Chun-Yang; Jiang, Hai-Long","Unprecedented Li(+) Exchange in an Anionic Metal-Organic Framework: Significantly Enhanced Gas Uptake Capacity.","Inorganic chemistry","2017","56","8","4263","4266","10.1021/acs.inorgchem.7b00538","","","0.71073","MoKα","","0.0814","0.0553","","","0.1456","0.1527","","","","","","0.908","","","","has coordinates","196114","2020-10-21","18:00:00",""
"4345640","12.26","0.006","30.207","0.015","22.98","0.011","90","","94.983","0.01","90","","8478","7","296","2","296","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C24 H9 Li0.5 O12 Zn2 -","- C24 H9 Li0.5 O12 Zn2 -","- C192 H72 Li4 O96 Zn16 -","8","1","","Liu, Bo; Zhang, Rui; Pan, Chun-Yang; Jiang, Hai-Long","Unprecedented Li(+) Exchange in an Anionic Metal-Organic Framework: Significantly Enhanced Gas Uptake Capacity.","Inorganic chemistry","2017","56","8","4263","4266","10.1021/acs.inorgchem.7b00538","","","0.71073","MoKα","","0.1027","0.0562","","","0.1428","0.1548","","","","","","0.902","","","","has coordinates","196114","2020-10-21","18:00:00",""
"4345641","9.6529","0.0019","9.6649","0.0019","10.875","0.002","89.02","0.03","80.84","0.03","64.5","0.03","902.6","0.4","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C10 H6 Ag4 N16 O2 -","- C10 H2 Ag4 N16 O2 -","- C20 H4 Ag8 N32 O4 -","2","1","","Huang, Chao; Han, Xiao; Shao, ZhiChao; Gao, Kuan; Liu, Mengjia; Wang, Yanjie; Wu, Jie; Hou, Hongwei; Mi, Liwei","Solvent-Induced Assembly of Sliver Coordination Polymers (CPs) as Cooperative Catalysts for Synthesizing of Cyclopentenone[b]pyrroles Frameworks.","Inorganic chemistry","2017","56","9","4874","4884","10.1021/acs.inorgchem.6b03091","","","0.71073","MoKα","","0.0371","0.0347","","","0.0772","0.0786","","","","","","1.074","","","","has coordinates","196116","2020-10-21","18:00:00",""
"4345642","11.402","0.002","19.497","0.004","9.3008","0.0019","90","","111.99","0.03","90","","1917.2","0.8","293","2","293","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C10 H6 Ag4 N16 O3 -","- C10 H2 Ag4 N16 O3 -","- C40 H8 Ag16 N64 O12 -","4","0.5","","Huang, Chao; Han, Xiao; Shao, ZhiChao; Gao, Kuan; Liu, Mengjia; Wang, Yanjie; Wu, Jie; Hou, Hongwei; Mi, Liwei","Solvent-Induced Assembly of Sliver Coordination Polymers (CPs) as Cooperative Catalysts for Synthesizing of Cyclopentenone[b]pyrroles Frameworks.","Inorganic chemistry","2017","56","9","4874","4884","10.1021/acs.inorgchem.6b03091","","","0.71073","MoKα","","0.0343","0.0308","","","0.0693","0.0716","","","","","","1.064","","","","has coordinates","196116","2020-10-21","18:00:00",""
"4345643","8.6114","0.0017","10.243","0.002","12.344","0.003","97.65","0.03","105.8","0.03","92.14","0.03","1035.3","0.4","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C10 H10 Ag4 N16 O4 -","- C10 H2 Ag4 N16 O4 -","- C20 H4 Ag8 N32 O8 -","2","1","","Huang, Chao; Han, Xiao; Shao, ZhiChao; Gao, Kuan; Liu, Mengjia; Wang, Yanjie; Wu, Jie; Hou, Hongwei; Mi, Liwei","Solvent-Induced Assembly of Sliver Coordination Polymers (CPs) as Cooperative Catalysts for Synthesizing of Cyclopentenone[b]pyrroles Frameworks.","Inorganic chemistry","2017","56","9","4874","4884","10.1021/acs.inorgchem.6b03091","","","0.71073","MoKα","","0.0842","0.0757","","","0.1864","0.2005","","","","","","1.102","","","","has coordinates","196116","2020-10-21","18:00:00",""
"4345644","12.4631","0.0004","30.4969","0.0009","12.6547","0.0004","90","","93.733","0.002","90","","4799.7","0.3","296","2","296","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C42 H54 Cu2 N8 O7 -","- C42 H54 Cu2 N8 O7 -","- C168 H216 Cu8 N32 O28 -","4","1","","Deka, Hemanta; Ghosh, Somnath; Gogoi, Kuldeep; Saha, Soumen; Mondal, Biplab","Nitric Oxide Reactivity of a Cu(II) Complex of an Imidazole-Based Ligand: Aromatic C-Nitrosation Followed by the Formation of N-Nitrosohydroxylaminato Complex.","Inorganic chemistry","2017","56","9","5034","5040","10.1021/acs.inorgchem.7b00069","","","0.71073","MoKα","","0.0865","0.0462","","","0.0833","0.088","","","","","","1.044","","","","has coordinates","196122","2020-10-21","18:00:00",""
"4345645","6.98029","0.00013","7.6854","0.00015","32.2691","0.0005","90.599","0.0015","94.8494","0.0014","107.467","0.0017","1644.22","0.05","293","1","","","","","","","","","","6","P -1","-P 1","2","","","","- C35 H45 N O3 Pt S -","- C35 H45 N O3 Pt S -","- C70 H90 N2 O6 Pt2 S2 -","2","1","","Shafikov, Marsel Z.; Suleymanova, Alfiya F.; Kozhevnikov, Dmitry N.; König, Burkhard","Tuning the Excimer Emission of Amphiphilic Platinum(II) Complexes Mediated by Phospholipid Vesicles.","Inorganic chemistry","2017","56","9","4885","4897","10.1021/acs.inorgchem.6b03100","","","0.71073","MoKα","","0.0555","0.0412","","","0.0816","0.0877","","","","","","1.1136","","","","has coordinates","196130","2020-10-21","18:00:00",""
"4345646","24.767","0.0006","24.767","0.0006","16.3241","0.0005","90","","90","","90","","10013.3","0.5","296","2","296","2","","","","","","","","7","P -4 21 c","P -4 2n","114","","","","- C41 H38 Eu F12 N O9 S4 -","- C41 H38 Eu F12 N O9 S4 -","- C328 H304 Eu8 F96 N8 O72 S32 -","8","1","","Wong, Ho-Yin; Lo, Wai-Sum; Chan, Wesley Ting Kwok; Law, Ga-Lai","Mechanistic Investigation of Inducing Triboluminescence in Lanthanide(III) β-Diketonate Complexes.","Inorganic chemistry","2017","56","9","5135","5140","10.1021/acs.inorgchem.7b00273","","","0.71073","MoKα","","0.0667","0.0455","","","0.1071","0.121","","","","","","1.109","","","","has coordinates,has disorder","196132","2020-10-21","18:00:00",""
"4345647","12.0733","0.0008","32.986","0.002","13.4884","0.001","90","","106.121","0.002","90","","5160.5","0.6","150","2","150","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C124 H94 Eu2 N9 O12 -","- C124 H94 Eu2 N9 O12 -","- C248 H188 Eu4 N18 O24 -","2","0.5","","Wong, Ho-Yin; Lo, Wai-Sum; Chan, Wesley Ting Kwok; Law, Ga-Lai","Mechanistic Investigation of Inducing Triboluminescence in Lanthanide(III) β-Diketonate Complexes.","Inorganic chemistry","2017","56","9","5135","5140","10.1021/acs.inorgchem.7b00273","","","0.71073","MoKα","","0.0339","0.0275","","","0.0563","0.0582","","","","","","1.135","","","","has coordinates,has disorder","196132","2020-10-21","18:00:00",""
"4345648","24.819","0.0012","10.0187","0.0005","24.1023","0.001","90","","90","","90","","5993.1","0.5","296","2","296","2","","","","","","","","5","P c a 21","P 2c -2ac","29","","","","- C69 H64 Eu N O8 -","- C69 H64 Eu N O8 -","- C276 H256 Eu4 N4 O32 -","4","1","","Wong, Ho-Yin; Lo, Wai-Sum; Chan, Wesley Ting Kwok; Law, Ga-Lai","Mechanistic Investigation of Inducing Triboluminescence in Lanthanide(III) β-Diketonate Complexes.","Inorganic chemistry","2017","56","9","5135","5140","10.1021/acs.inorgchem.7b00273","","","0.71073","MoKα","","0.0364","0.0263","","","0.0511","0.0538","","","","","","1.056","","","","has coordinates","196132","2020-10-21","18:00:00",""
"4345649","19.3748","0.0005","19.3748","0.0005","43.244","0.002","90","","90","","90","","16233.1","1","293","2","293","2","","","","","","","","6","P 41 21 2","P 4abw 2nw","92","","","","- C36 H38 F9 N2 O6 Tb -","- C36 H38 F9 N2 O6 Tb -","- C576 H608 F144 N32 O96 Tb16 -","16","2","","Wong, Ho-Yin; Lo, Wai-Sum; Chan, Wesley Ting Kwok; Law, Ga-Lai","Mechanistic Investigation of Inducing Triboluminescence in Lanthanide(III) β-Diketonate Complexes.","Inorganic chemistry","2017","56","9","5135","5140","10.1021/acs.inorgchem.7b00273","","","0.71073","MoKα","","0.1178","0.0741","","","0.1762","0.1995","","","","","","1.058","","","","has coordinates,has disorder","196132","2020-10-21","18:00:00",""
"4345650","29.6179","0.001","9.154","0.0003","25.3121","0.0008","90","","120.165","0.0018","90","","5933.3","0.4","296","2","296","2","","","","","","","","5","C 1 c 1","C -2yc","9","","","","- C66 H60 Eu N O8 -","- C66 H60 Eu N O8 -","- C264 H240 Eu4 N4 O32 -","4","1","","Wong, Ho-Yin; Lo, Wai-Sum; Chan, Wesley Ting Kwok; Law, Ga-Lai","Mechanistic Investigation of Inducing Triboluminescence in Lanthanide(III) β-Diketonate Complexes.","Inorganic chemistry","2017","56","9","5135","5140","10.1021/acs.inorgchem.7b00273","","","0.71073","MoKα","","0.0901","0.045","","","0.0807","0.0966","","","","","","0.982","","","","has coordinates","204144","2020-10-21","18:00:00",""
"4345651","8.8142","0.0006","14.1429","0.0009","24.2432","0.0016","90","","91.705","0.003","90","","3020.8","0.3","100","","100","","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C36 H33 Fe N7 O -","- C36 H33 Fe N7 O -","- C144 H132 Fe4 N28 O4 -","4","1","","Gordon, Zachary; Drummond, Michael J.; Matson, Ellen M.; Bogart, Justin A.; Schelter, Eric J.; Lord, Richard L.; Fout, Alison R.","Tuning the Fe(II/III) Redox Potential in Nonheme Fe(II)-Hydroxo Complexes through Primary and Secondary Coordination Sphere Modifications.","Inorganic chemistry","2017","56","9","4852","4863","10.1021/acs.inorgchem.6b03071","","x-ray","0.71073","MoKα","","0.0504","0.0435","","","0.109","0.1123","","","","","","1.191","","","","has coordinates","196127","2020-10-21","18:00:00",""
"4345652","12.7341","0.0007","16.2049","0.0008","16.4602","0.0008","90","","92.915","0.002","90","","3392.2","0.3","100.01","","100.01","","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C36 H30 Br3 Fe N7 O -","- C36 H30 Br3 Fe N7 O -","- C144 H120 Br12 Fe4 N28 O4 -","4","1","","Gordon, Zachary; Drummond, Michael J.; Matson, Ellen M.; Bogart, Justin A.; Schelter, Eric J.; Lord, Richard L.; Fout, Alison R.","Tuning the Fe(II/III) Redox Potential in Nonheme Fe(II)-Hydroxo Complexes through Primary and Secondary Coordination Sphere Modifications.","Inorganic chemistry","2017","56","9","4852","4863","10.1021/acs.inorgchem.6b03071","","x-ray","0.71073","MoKα","","0.0371","0.0286","","","0.0634","0.0691","","","","","","1.0834","","","","has coordinates","196127","2020-10-21","18:00:00",""
"4345653","11.7935","0.0003","13.1513","0.0003","14.3733","0.0004","76.546","0.001","83.877","0.001","70.819","0.001","2046.65","0.09","100.15","","100.15","","","","","","","","","6","P -1","-P 1","2","","","","- C36 H48 Br3 Fe N7 O -","- C36 H48 Br3 Fe N7 O -","- C72 H96 Br6 Fe2 N14 O2 -","2","1","","Gordon, Zachary; Drummond, Michael J.; Matson, Ellen M.; Bogart, Justin A.; Schelter, Eric J.; Lord, Richard L.; Fout, Alison R.","Tuning the Fe(II/III) Redox Potential in Nonheme Fe(II)-Hydroxo Complexes through Primary and Secondary Coordination Sphere Modifications.","Inorganic chemistry","2017","56","9","4852","4863","10.1021/acs.inorgchem.6b03071","","x-ray","0.71073","MoKα","","0.0562","0.0476","","","0.1482","0.1562","","","","","","1.042","","","","has coordinates","196127","2020-10-21","18:00:00",""
"4345654","19.9852","0.0008","20.8204","0.0009","10.3313","0.0004","90","","90","","90","","4298.9","0.3","296.15","","296.15","","","","","","","","","8","P n a 21","P 2c -2n","33","","","","- C148 H192 Br12 F12 Fe4 N28 O16 S4 -","- C148 H192 Br12 F12 Fe4 N28 O16 S4 -","- C148 H192 Br12 F12 Fe4 N28 O16 S4 -","1","0.25","","Gordon, Zachary; Drummond, Michael J.; Matson, Ellen M.; Bogart, Justin A.; Schelter, Eric J.; Lord, Richard L.; Fout, Alison R.","Tuning the Fe(II/III) Redox Potential in Nonheme Fe(II)-Hydroxo Complexes through Primary and Secondary Coordination Sphere Modifications.","Inorganic chemistry","2017","56","9","4852","4863","10.1021/acs.inorgchem.6b03071","","x-ray","0.71073","MoKα","","0.0541","0.0394","","","0.0916","0.1021","","","","","","1.085","","","","has coordinates,has disorder","196127","2020-10-21","18:00:00",""
"4345655","17.0345","0.0005","17.0345","","17.0345","","90","","90","","90","","4942.97","0.15","100.15","","100.15","","","","","","","","","5","P 21 3","P 2ac 2ab 3","198","","","","- C54 H69 Fe N7 O -","- C54 H69 Fe N7 O -","- C216 H276 Fe4 N28 O4 -","4","0.333333","","Gordon, Zachary; Drummond, Michael J.; Matson, Ellen M.; Bogart, Justin A.; Schelter, Eric J.; Lord, Richard L.; Fout, Alison R.","Tuning the Fe(II/III) Redox Potential in Nonheme Fe(II)-Hydroxo Complexes through Primary and Secondary Coordination Sphere Modifications.","Inorganic chemistry","2017","56","9","4852","4863","10.1021/acs.inorgchem.6b03071","","x-ray","0.71073","MoKα","","0.031","0.0303","","","0.076","0.0764","","","","","","1.139","","","","has coordinates","270074","2021-10-24","17:53:43",""
"4345656","11.646","0.004","16.072","0.006","20.491","0.006","108.756","0.015","96.652","0.01","101.866","0.014","3485","2","100.03","","100.03","","","","","","","","","7","P -1","-P 1","2","","","","- C74 H51 B F24 Fe N7 O -","- C74 H51 B F24 Fe N7 O -","- C148 H102 B2 F48 Fe2 N14 O2 -","2","1","","Gordon, Zachary; Drummond, Michael J.; Matson, Ellen M.; Bogart, Justin A.; Schelter, Eric J.; Lord, Richard L.; Fout, Alison R.","Tuning the Fe(II/III) Redox Potential in Nonheme Fe(II)-Hydroxo Complexes through Primary and Secondary Coordination Sphere Modifications.","Inorganic chemistry","2017","56","9","4852","4863","10.1021/acs.inorgchem.6b03071","","x-ray","0.71073","MoKα","","0.0523","0.0469","","","0.1145","0.1179","","","","","","1.096","","","","has coordinates,has disorder","196127","2020-10-21","18:00:00",""
"4345657","9.69876","0.00006","9.69876","0.00006","6.46447","0.00006","90","","90","","120","","526.618","0.007","293","","293","","","","","","","","","3","P 63/m c m","-P 6c 2","193","La3TiBi5","La3TiBi5","","- Bi5 La3 Ti -","- Bi5 La3 Ti -","- Bi10 La6 Ti2 -","2","0.0833333","","Murakami, Taito; Yamamoto, Takafumi; Takeiri, Fumitaka; Nakano, Kousuke; Kageyama, Hiroshi","Hypervalent Bismuthides La3MBi5 (M = Ti, Zr, Hf) and Related Antimonides: Absence of Superconductivity","Inorganic Chemistry","2017","","","","","10.1021/acs.inorgchem.7b00031","powder diffraction","x-ray","0.41987","","","0.0595","0.0411","","0.0436","0.0405","","","","2.09","","","","","","","has coordinates","195310","2020-10-21","18:00:00",""
"4345658","9.7613","0.00006","9.7613","0.00006","6.51972","0.00007","90","","90","","120","","537.991","0.007","293","","293","","","","","","","","","3","P 63/m c m","-P 6c 2","193","La3ZrBi5","La3ZrBi5","","- Bi5 La3 Zr -","- Bi5 La3 Zr -","- Bi10 La6 Zr2 -","2","0.0833333","","Murakami, Taito; Yamamoto, Takafumi; Takeiri, Fumitaka; Nakano, Kousuke; Kageyama, Hiroshi","Hypervalent Bismuthides La3MBi5 (M = Ti, Zr, Hf) and Related Antimonides: Absence of Superconductivity","Inorganic Chemistry","2017","","","","","10.1021/acs.inorgchem.7b00031","powder diffraction","x-ray","0.41987","","","0.2786","0.1095","","0.1234","0.097","","","","3.03","","","","","","","has coordinates","195310","2020-10-21","18:00:00",""
"4345659","9.75092","0.00008","9.75092","0.00008","6.50865","0.00008","90","","90","","120","","535.936","0.009","293","","293","","","","","","","","","3","P 63/m c m","-P 6c 2","193","La3HfBi5","La3HfBi5","","- Bi5 Hf La3 -","- Bi5 Hf La3 -","- Bi10 Hf2 La6 -","2","0.0833333","","Murakami, Taito; Yamamoto, Takafumi; Takeiri, Fumitaka; Nakano, Kousuke; Kageyama, Hiroshi","Hypervalent Bismuthides La3MBi5 (M = Ti, Zr, Hf) and Related Antimonides: Absence of Superconductivity","Inorganic Chemistry","2017","","","","","10.1021/acs.inorgchem.7b00031","powder diffraction","x-ray","0.41987","","","0.1246","0.0927","","0.0817","0.0774","","","","3.44","","","","","","","has coordinates","195310","2020-10-21","18:00:00",""
"4345660","13.56238","0.00006","13.56238","0.00006","14.93712","0.00013","90","","90","","90","","2747.51","0.03","293","2","293","2","","","","","","","","6","P 42 b c","P 4c -2ab","106","","barium lithium sodium fluoride borate","","- B7 Ba12 F4 Li0.5 Na0.5 O21 -","- B7 Ba12 F4 Li0.6 Na0.4 O21 -","- B28 Ba48 F16 Li2.4 Na1.6 O84 -","4","0.5","","Bekker, Tatyana B.; Rashchenko, Sergey V.; Solntsev, Vladimir P.; Yelisseyev, Alexander P.; Kragzhda, Alexander A.; Bakakin, Vladimir V.; Seryotkin, Yuriy V.; Kokh, Alexander E.; Kokh, Konstantin A.; Kuznetsov, Artem B.","Growth and Optical Properties of LixNa1-xBa12(BO3)7F4 Fluoride Borates with ""Antizeolite"" Structure.","Inorganic chemistry","2017","56","9","5411","5419","10.1021/acs.inorgchem.7b00520","","","0.71073","MoKα","","0.0287","0.0285","","","0.0644","0.0646","","","","","","1.21","","","","has coordinates","196117","2020-10-21","18:00:00",""
"4345661","9.8674","0.0008","8.5872","0.0007","11.2758","0.0008","90","","94.214","0.007","90","","952.85","0.13","173","2","173","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","2-dimethyl-2-hydroxypropyl) (1-dimethyl-2-hydroxypropyl)amine","","- C8 H19 N O2 -","- C8 H19 N O2 -","- C32 H76 N4 O8 -","4","1","","Glowacki, Britta; Lutter, Michael; Alnasr, Hazem; Seymen, Rana; Hiller, Wolf; Jurkschat, Klaus","Introducing Stereogenic Centers to Group XIV Metallatranes.","Inorganic chemistry","2017","","","","","10.1021/acs.inorgchem.6b03126","","","0.71073","MoKα","","0.0529","0.0418","","","0.1078","0.1136","","","","","","1.025","","","","has coordinates","195331","2020-10-21","18:00:00",""
"4345662","6.4338","0.0004","13.1595","0.0008","14.176","0.0013","90","","90","","90","","1200.22","0.15","173","2","173","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","(2-Dimethyl-2-hydroxypropyl)(1-dimethyl-2-hydroxypropyl) (hydroxyethyl)amine","","- C10 H23 N O3 -","- C10 H23 N O3 -","- C40 H92 N4 O12 -","4","1","","Glowacki, Britta; Lutter, Michael; Alnasr, Hazem; Seymen, Rana; Hiller, Wolf; Jurkschat, Klaus","Introducing Stereogenic Centers to Group XIV Metallatranes.","Inorganic chemistry","2017","","","","","10.1021/acs.inorgchem.6b03126","","","0.71073","MoKα","","0.0351","0.0328","","","0.083","0.0842","","","","","","1.345","","","","has coordinates","195331","2020-10-21","18:00:00",""
"4345663","12.4703","0.0003","21.9896","0.0005","15.0311","0.0004","90","","106.019","0.002","90","","3961.73","0.17","173","2","173","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","1-tert-Butanolato-(2,8,9-trioxa-5-aza-3,3,6,6-tetramethy l-1-stannatricyclo[3.3.3.01,5]undecane","","- C35 H66 N2 O8 Sn2 -","- C28 H58 N2 O8 Sn2 -","- C112 H232 N8 O32 Sn8 -","4","1","","Glowacki, Britta; Lutter, Michael; Alnasr, Hazem; Seymen, Rana; Hiller, Wolf; Jurkschat, Klaus","Introducing Stereogenic Centers to Group XIV Metallatranes.","Inorganic chemistry","2017","","","","","10.1021/acs.inorgchem.6b03126","","","0.71073","MoKα","","0.0336","0.0284","","","0.0665","0.0677","","","","","","1.467","","","","has coordinates,has disorder","195331","2020-10-21","18:00:00",""
"4345664","7.0878","0.0003","15.2637","0.0013","27.1491","0.0013","90","","90","","90","","2937.2","0.3","173.15","","173.15","","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C29 H45 N O7 Sn -","- C29 H45 N O7 Sn -","- C116 H180 N4 O28 Sn4 -","4","1","","Glowacki, Britta; Lutter, Michael; Alnasr, Hazem; Seymen, Rana; Hiller, Wolf; Jurkschat, Klaus","Introducing Stereogenic Centers to Group XIV Metallatranes.","Inorganic chemistry","2017","","","","","10.1021/acs.inorgchem.6b03126","","x-ray","0.71073","MoKα","","0.0681","0.0491","","","0.1098","0.1196","","","","","","1.049","","","","has coordinates","195331","2020-10-21","18:00:00",""
"4345665","14.2668","0.0006","13.2833","0.0005","18.8304","0.0012","90","","95.253","0.005","90","","3553.6","0.3","173","2","173","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","1-tert-Butanolato-(2,8,9-trioxa-5-aza-3,3,6,6-tetramethyl-1- germatricyclo[3.3.3.01,5]undecane","","- C31 H58 Ge2 N2 O8 -","- C31 H58 Ge2 N2 O8 -","- C124 H232 Ge8 N8 O32 -","4","1","","Glowacki, Britta; Lutter, Michael; Alnasr, Hazem; Seymen, Rana; Hiller, Wolf; Jurkschat, Klaus","Introducing Stereogenic Centers to Group XIV Metallatranes.","Inorganic chemistry","2017","","","","","10.1021/acs.inorgchem.6b03126","","","0.71073","MoKα","","0.1237","0.0914","","","0.2339","0.24","","","","","","1.971","","","","has coordinates,has disorder","195331","2020-10-21","18:00:00",""
"4345666","9.0471","0.0003","11.6291","0.0004","12.3359","0.0005","90","","90","","90","","1297.86","0.08","173","2","173","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","1-Bromido-(2,8,9-trioxa-5-aza-3,3,6,6-tetramethyl-1-germatricyclo[3.3.3.01,5]undecane)","","- C10 H20 Br Ge N O3 -","- C10 H20 Br Ge N O3 -","- C40 H80 Br4 Ge4 N4 O12 -","4","1","","Glowacki, Britta; Lutter, Michael; Alnasr, Hazem; Seymen, Rana; Hiller, Wolf; Jurkschat, Klaus","Introducing Stereogenic Centers to Group XIV Metallatranes.","Inorganic chemistry","2017","","","","","10.1021/acs.inorgchem.6b03126","","x-ray","0.71073","MoKα","","0.0602","0.054","","","0.1355","0.1408","","","","","","1.066","","","","has coordinates","195331","2020-10-21","18:00:00",""
"4345667","10.182","0.002","20.869","0.004","22.152","0.004","90","","102.83","0.03","90","","4589.5","1.6","100","2","100","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C30 H74 O4 Si7 Sm -","- C30 H74 O4 Si7 Sm -","- C120 H296 O16 Si28 Sm4 -","4","1","","Zitz, Rainer; Hlina, Johann; Aghazadeh Meshgi, Mohammad; Krenn, Heinz; Marschner, Christoph; Szilvási, Tibor; Baumgartner, Judith","Using Functionalized Silyl Ligands To Suppress Solvent Coordination to Silyl Lanthanide(II) Complexes.","Inorganic chemistry","2017","","","","","10.1021/acs.inorgchem.7b00420","","","0.71073","MoKα","","0.0537","0.0454","","","0.1027","0.1064","","","","","","1.103","","","","has coordinates","195383","2020-10-21","18:00:00",""
"4345668","22.675","0.005","11.418","0.002","17.749","0.004","90","","90","","90","","4595.3","1.7","200","2","200","2","","","","","","","","5","P n a 21","P 2c -2n","33","","","","- C30 H74 O4 Si7 Yb -","- C30 H74 O4 Si7 Yb -","- C120 H296 O16 Si28 Yb4 -","4","1","","Zitz, Rainer; Hlina, Johann; Aghazadeh Meshgi, Mohammad; Krenn, Heinz; Marschner, Christoph; Szilvási, Tibor; Baumgartner, Judith","Using Functionalized Silyl Ligands To Suppress Solvent Coordination to Silyl Lanthanide(II) Complexes.","Inorganic chemistry","2017","","","","","10.1021/acs.inorgchem.7b00420","","","0.71073","MoKα","","0.0421","0.0368","","","0.0756","0.0776","","","","","","1.033","","","","has coordinates","195383","2020-10-21","18:00:00",""
"4345669","23.027","0.005","14.538","0.003","19.296","0.004","90","","102.44","0.03","90","","6308","2","100","2","100","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C36 H100 O2 Si14 Sm2 -","- C36 H100 O2 Si14 Sm2 -","- C144 H400 O8 Si56 Sm8 -","4","0.5","","Zitz, Rainer; Hlina, Johann; Aghazadeh Meshgi, Mohammad; Krenn, Heinz; Marschner, Christoph; Szilvási, Tibor; Baumgartner, Judith","Using Functionalized Silyl Ligands To Suppress Solvent Coordination to Silyl Lanthanide(II) Complexes.","Inorganic chemistry","2017","","","","","10.1021/acs.inorgchem.7b00420","","","0.71073","MoKα","","0.0214","0.0201","","","0.0496","0.0501","","","","","","1.042","","","","has coordinates","195383","2020-10-21","18:00:00",""
"4345670","19.344","0.004","20.358","0.004","36.442","0.007","90","","90","","90","","14351","5","100","2","100","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C72 H212 O3 Si28 Yb2 -","- C72 H212 O3 Si28 Yb2 -","- C288 H848 O12 Si112 Yb8 -","4","0.5","","Zitz, Rainer; Hlina, Johann; Aghazadeh Meshgi, Mohammad; Krenn, Heinz; Marschner, Christoph; Szilvási, Tibor; Baumgartner, Judith","Using Functionalized Silyl Ligands To Suppress Solvent Coordination to Silyl Lanthanide(II) Complexes.","Inorganic chemistry","2017","","","","","10.1021/acs.inorgchem.7b00420","","","0.71073","MoKα","","0.1298","0.0987","","","0.262","0.2835","","","","","","1.078","","","","has coordinates,has disorder","195383","2020-10-21","18:00:00",""
"4345671","9.3913","0.0017","13.142","0.003","16.586","0.003","90","","93.003","0.003","90","","2044.2","0.7","100","2","100","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C22 H66 O Si10 -","- C22 H66 O Si10 -","- C44 H132 O2 Si20 -","2","1","","Zitz, Rainer; Hlina, Johann; Aghazadeh Meshgi, Mohammad; Krenn, Heinz; Marschner, Christoph; Szilvási, Tibor; Baumgartner, Judith","Using Functionalized Silyl Ligands To Suppress Solvent Coordination to Silyl Lanthanide(II) Complexes.","Inorganic chemistry","2017","","","","","10.1021/acs.inorgchem.7b00420","","","0.71073","MoKα","","0.0949","0.0787","","","0.162","0.1727","","","","","","1.081","","","","has coordinates,has disorder","195383","2020-10-21","18:00:00",""
"4345672","15.441","0.003","18.603","0.004","16.113","0.003","90","","102.583","0.003","90","","4517.3","1.6","100","2","100","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C28 H72 O4 Si8 Yb -","- C28 H72 O4 Si8 Yb -","- C112 H288 O16 Si32 Yb4 -","4","1","","Zitz, Rainer; Hlina, Johann; Aghazadeh Meshgi, Mohammad; Krenn, Heinz; Marschner, Christoph; Szilvási, Tibor; Baumgartner, Judith","Using Functionalized Silyl Ligands To Suppress Solvent Coordination to Silyl Lanthanide(II) Complexes.","Inorganic chemistry","2017","","","","","10.1021/acs.inorgchem.7b00420","","","0.71073","MoKα","","0.0287","0.0252","","","0.0653","0.0667","","","","","","1.081","","","","has coordinates","195383","2020-10-21","18:00:00",""
"4345673","15.491","0.004","18.84","0.005","16.136","0.004","90","","103.266","0.004","90","","4584","2","100","2","100","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C28 H72 O4 Si8 Sm -","- C28 H72 O4 Si8 Sm -","- C112 H288 O16 Si32 Sm4 -","4","1","","Zitz, Rainer; Hlina, Johann; Aghazadeh Meshgi, Mohammad; Krenn, Heinz; Marschner, Christoph; Szilvási, Tibor; Baumgartner, Judith","Using Functionalized Silyl Ligands To Suppress Solvent Coordination to Silyl Lanthanide(II) Complexes.","Inorganic chemistry","2017","","","","","10.1021/acs.inorgchem.7b00420","","","0.71073","MoKα","","0.0489","0.0406","","","0.0942","0.0979","","","","","","1.079","","","","has coordinates","195383","2020-10-21","18:00:00",""
"4345674","10.444","0.003","15.475","0.005","19.428","0.006","67.632","0.005","86.605","0.005","71.706","0.005","2750.5","1.5","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","","","- C30 H86 O3 Si12 Yb -","- C30 H86 O3 Si12 Yb -","- C60 H172 O6 Si24 Yb2 -","2","1","","Zitz, Rainer; Hlina, Johann; Aghazadeh Meshgi, Mohammad; Krenn, Heinz; Marschner, Christoph; Szilvási, Tibor; Baumgartner, Judith","Using Functionalized Silyl Ligands To Suppress Solvent Coordination to Silyl Lanthanide(II) Complexes.","Inorganic chemistry","2017","","","","","10.1021/acs.inorgchem.7b00420","","","0.71073","MoKα","","0.0684","0.0586","","","0.13","0.1339","","","","","","1.084","","","","has coordinates","195383","2020-10-21","18:00:00",""
"4345675","6.884","0.0013","11.8","0.002","11.154","0.002","90","","92.907","0.003","90","","904.9","0.3","100","2","100","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C6 H14 Cl N O2 Si -","- C6 H14 Cl N O2 Si -","- C24 H56 Cl4 N4 O8 Si4 -","4","1","","Zitz, Rainer; Hlina, Johann; Aghazadeh Meshgi, Mohammad; Krenn, Heinz; Marschner, Christoph; Szilvási, Tibor; Baumgartner, Judith","Using Functionalized Silyl Ligands To Suppress Solvent Coordination to Silyl Lanthanide(II) Complexes.","Inorganic chemistry","2017","","","","","10.1021/acs.inorgchem.7b00420","","","0.71073","MoKα","","0.0265","0.0258","","","0.0696","0.0701","","","","","","1.109","","","","has coordinates","195383","2020-10-21","18:00:00",""
"4345676","17.833","0.003","10.295","0.003","13.216","0.003","90","","121.406","0.005","90","","2070.9","0.8","100","2","100","2","","","","","","","","6","C 1 2 1","C 2y","5","","","","- C24 H64 N2 O4 Si8 Yb -","- C24 H64 N2 O4 Si8 Yb -","- C48 H128 N4 O8 Si16 Yb2 -","2","0.5","","Zitz, Rainer; Hlina, Johann; Aghazadeh Meshgi, Mohammad; Krenn, Heinz; Marschner, Christoph; Szilvási, Tibor; Baumgartner, Judith","Using Functionalized Silyl Ligands To Suppress Solvent Coordination to Silyl Lanthanide(II) Complexes.","Inorganic chemistry","2017","","","","","10.1021/acs.inorgchem.7b00420","","","0.71073","MoKα","","0.0659","0.0659","","","0.1769","0.1769","","","","","","1.117","","","","has coordinates","195383","2020-10-21","18:00:00",""
"4345677","23.449","0.014","10.198","0.005","17.953","0.009","90","","100.484","0.014","90","","4221","4","100","2","100","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C24 H64 Eu N2 O4 Si8 -","- C24 H64 Eu N2 O4 Si8 -","- C96 H256 Eu4 N8 O16 Si32 -","4","0.5","","Zitz, Rainer; Hlina, Johann; Aghazadeh Meshgi, Mohammad; Krenn, Heinz; Marschner, Christoph; Szilvási, Tibor; Baumgartner, Judith","Using Functionalized Silyl Ligands To Suppress Solvent Coordination to Silyl Lanthanide(II) Complexes.","Inorganic chemistry","2017","","","","","10.1021/acs.inorgchem.7b00420","","","0.71073","MoKα","","0.0814","0.069","","","0.1628","0.1698","","","","","","1.128","","","","has coordinates","195383","2020-10-21","18:00:00",""
"4345678","15.443","0.012","16.958","0.013","16.998","0.013","65.686","0.009","71.588","0.009","73.124","0.009","3782","5","100","2","100.15","","","","","","","","","6","P -1","-P 1","2","","","","- C111 H126 Cl11 N12 O2 Zn4 -","- C111 H126 Cl11 N12 O2 Zn4 -","- C111 H126 Cl11 N12 O2 Zn4 -","1","0.5","","Kumar, Girijesh; Guda, Ramu; Husain, Ahmad; Bodapati, Ramakrishna; Das, Samar K.","A Functional Zn(II) Metallacycle Formed from an N-Heterocyclic Carbene Precursor: A Molecular Sensor for Selective Recognition of Fe(3+) and IO4(-) Ions.","Inorganic chemistry","2017","56","9","5017","5025","10.1021/acs.inorgchem.7b00098","","","0.71073","MoKα","","0.1766","0.131","","","0.3751","0.4032","","","","","","1.548","","","","has coordinates,has disorder","196119","2020-10-21","18:00:00",""
"4345679","18.9774","0.0008","16.3898","0.0004","23.4059","0.0007","90","","90","","90","","7280.1","0.4","173","","173","","","","","","","","","6","P b c a","-P 2ac 2ab","61","","","","- C74 H86 Br1.33 Cl0.68 N8 O6 -","- C74 H86 Br1.326 Cl0.674 N8 O6 -","- C296 H344 Br5.304 Cl2.696 N32 O24 -","4","0.5","","Kumar, Girijesh; Guda, Ramu; Husain, Ahmad; Bodapati, Ramakrishna; Das, Samar K.","A Functional Zn(II) Metallacycle Formed from an N-Heterocyclic Carbene Precursor: A Molecular Sensor for Selective Recognition of Fe(3+) and IO4(-) Ions.","Inorganic chemistry","2017","56","9","5017","5025","10.1021/acs.inorgchem.7b00098","","x-ray","1.54184","CuKα","","0.1157","0.0717","","","0.2061","0.2402","","","","","","1.023","","","","has coordinates,has disorder","196119","2020-10-21","18:00:00",""
"4345680","3.1942","0.001","3.1942","0.001","8.054","0.002","90","","90","","90","","82.17","0.04","300","2","300","2","","","","","","","","3","P 4/n m m","-P 4a 2a","129","","","","- Ga Re Si -","- Ga Re Si -","- Ga2 Re2 Si2 -","2","","","Xie, Weiwei; Gustin, Lea; Bian, Guang","111-Type Semiconductor ReGaSi Follows 14e(-) Rules.","Inorganic chemistry","2017","","","","","10.1021/acs.inorgchem.7b00309","","","0.71073","MoKα","","0.0379","0.0371","","","0.0879","0.0887","","","","","","1.249","","","","has coordinates","195386","2020-10-21","18:00:00",""
"4345681","13.205","0.0005","13.0203","0.0005","15.6075","0.0006","90","","94.6075","0.0013","90","","2674.77","0.18","90","2","90","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C25 H38.75 Al Cl1.25 N5 -","- C25 H38.75 Al Cl1.25 N5 -","- C100 H155 Al4 Cl5 N20 -","4","1","","Sherbow, Tobias J.; Fettinger, James C.; Berben, Louise A.","Control of Ligand pKa Values Tunes the Electrocatalytic Dihydrogen Evolution Mechanism in a Redox-Active Aluminum(III) Complex","Inorganic Chemistry","2017","","","","","10.1021/acs.inorgchem.7b00230","","","1.54178","CuKα","","0.0402","0.0375","","","0.0992","0.1009","","","","","","1.073","","","","has coordinates,has disorder","195387","2020-10-21","18:00:00",""
"4345682","11.8918","0.0004","13.4569","0.0005","15.259","0.0006","90","","100.273","0.001","90","","2402.7","0.15","90","2","90","2","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","","","- C25 H37 N5 -","- C25 H37 N5 -","- C100 H148 N20 -","4","1","","Sherbow, Tobias J.; Fettinger, James C.; Berben, Louise A.","Control of Ligand pKa Values Tunes the Electrocatalytic Dihydrogen Evolution Mechanism in a Redox-Active Aluminum(III) Complex","Inorganic Chemistry","2017","","","","","10.1021/acs.inorgchem.7b00230","","","1.54178","CuKα","","0.04","0.0382","","","0.0975","0.0992","","","","","","1.032","","","","has coordinates","195387","2020-10-21","18:00:00",""
"4345683","11.7181","0.0005","13.3674","0.0005","13.6225","0.0006","67.2772","0.0014","72.3121","0.0015","87.9924","0.0019","1866.92","0.14","90","2","90","2","","","","","","","","6","P -1","-P 1","2","","","","- C29 H45 Al2 Cl6 N5 O -","- C29 H45 Al2 Cl6 N5 O -","- C58 H90 Al4 Cl12 N10 O2 -","2","1","","Sherbow, Tobias J.; Fettinger, James C.; Berben, Louise A.","Control of Ligand pKa Values Tunes the Electrocatalytic Dihydrogen Evolution Mechanism in a Redox-Active Aluminum(III) Complex","Inorganic Chemistry","2017","","","","","10.1021/acs.inorgchem.7b00230","","","1.54178","CuKα","","0.0465","0.044","","","0.1112","0.1134","","","","","","1.027","","","","has coordinates,has disorder","195387","2020-10-21","18:00:00",""
"4345684","16.3043","0.0004","12.2138","0.0003","18.5935","0.0005","90","","90","","90","","3702.66","0.16","111","2","111","2","","","","","","","","6","P b c a","-P 2ac 2ab","61","","catena-(2-bromo-3-methylpyridine)dichlorocopper (II)","","- C12 H12 Br2 Cl4 Cu2 N2 -","- C12 H12 Br2 Cl4 Cu2 N2 -","- C96 H96 Br16 Cl32 Cu16 N16 -","8","1","","Herringer, Susan N.; Landee, Christopher P.; Turnbull, Mark M.; Ribas-Ariño, Jordi; Novoa, Juan J.; Polson, Matthew; Wikaira, Jan L.","Ferromagnetic Exchange in Bichloride Bridged Cu(II) Chains: Magnetostructural Correlations between Ordered and Disordered Systems","Inorganic Chemistry","2017","","","","","10.1021/acs.inorgchem.7b00535","","","0.71073","MoKα","","0.0633","0.0309","","","0.0676","0.0767","","","","","","1.018","","","","has coordinates","195420","2020-10-21","18:00:00",""
"4345685","16.0831","0.0004","12.2128","0.0003","18.5204","0.0005","90","","90","","90","","3637.77","0.16","111","2","111","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","catena-(2-chloro-3-methylpyridine)dichlorocopper (II)","","- C6 H6 Cl3 Cu N -","- C6 H6 Cl3 Cu N -","- C96 H96 Cl48 Cu16 N16 -","16","2","","Herringer, Susan N.; Landee, Christopher P.; Turnbull, Mark M.; Ribas-Ariño, Jordi; Novoa, Juan J.; Polson, Matthew; Wikaira, Jan L.","Ferromagnetic Exchange in Bichloride Bridged Cu(II) Chains: Magnetostructural Correlations between Ordered and Disordered Systems","Inorganic Chemistry","2017","","","","","10.1021/acs.inorgchem.7b00535","","","0.71073","MoKα","","0.0193","0.0164","","","0.0411","0.048","","","","","","1.141","","","","has coordinates","195421","2020-10-21","18:00:00",""
"4345686","12.4098","0.0019","15.585","0.002","15.627","0.002","114.366","0.003","98.201","0.003","103.177","0.003","2583.5","0.6","100","2","100","2","","","","","","","","6","P -1","-P 1","2","","","","- C114 H76 F24 O P6 Sn2 -","- C114 H76 F24 O P6 Sn2 -","- C114 H76 F24 O P6 Sn2 -","1","0.5","","Wächtler, Erik; Wahlicht, Sven; Privér, Steven H.; Bennett, Martin A.; Gerke, Birgit; Pöttgen, Rainer; Brendler, Erica; Gericke, Robert; Wagler, Jörg; Bhargava, Suresh K.","Tin(IV) Compounds with 2-C6F4PPh2 Substituents and Their Reactivity toward Palladium(0): Formation of Tin‒Palladium Complexes via Oxidative Addition","Inorganic Chemistry","2017","","","","","10.1021/acs.inorgchem.7b00410","","","0.71073","MoKα","","0.0633","0.0428","","","0.0831","0.0915","","","","","","1.086","","","","has coordinates,has disorder","195422","2020-10-21","18:00:00",""
"4345687","18.026","0.0007","11.0737","0.0004","16.9315","0.0007","90","","98.405","0.001","90","","3343.5","0.2","150","2","150","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C38 H26 F8 P2 Sn -","- C38 H26 F8 P2 Sn -","- C152 H104 F32 P8 Sn4 -","4","1","","Wächtler, Erik; Wahlicht, Sven; Privér, Steven H.; Bennett, Martin A.; Gerke, Birgit; Pöttgen, Rainer; Brendler, Erica; Gericke, Robert; Wagler, Jörg; Bhargava, Suresh K.","Tin(IV) Compounds with 2-C6F4PPh2 Substituents and Their Reactivity toward Palladium(0): Formation of Tin‒Palladium Complexes via Oxidative Addition","Inorganic Chemistry","2017","","","","","10.1021/acs.inorgchem.7b00410","","","0.71073","MoKα","","0.034","0.0252","","","0.0622","0.0647","","","","","","1.053","","","","has coordinates","195422","2020-10-21","18:00:00",""
"4345688","13.1628","0.0005","13.5969","0.0005","19.3106","0.0008","71.647","0.001","71.868","0.001","65.115","0.001","2910.9","0.2","200","2","200","2","","","","","","","","6","P -1","-P 1","2","","","","- C66 H42 Cl F12 P3 Sn -","- C66 H42 Cl F12 P3 Sn -","- C132 H84 Cl2 F24 P6 Sn2 -","2","1","","Wächtler, Erik; Wahlicht, Sven; Privér, Steven H.; Bennett, Martin A.; Gerke, Birgit; Pöttgen, Rainer; Brendler, Erica; Gericke, Robert; Wagler, Jörg; Bhargava, Suresh K.","Tin(IV) Compounds with 2-C6F4PPh2 Substituents and Their Reactivity toward Palladium(0): Formation of Tin‒Palladium Complexes via Oxidative Addition","Inorganic Chemistry","2017","","","","","10.1021/acs.inorgchem.7b00410","","","0.71073","MoKα","","0.0372","0.0282","","","0.0747","0.0791","","","","","","1.07","","","","has coordinates,has disorder","195422","2020-10-21","18:00:00",""
"4345689","16.3329","0.0008","11.761","0.0005","18.1754","0.0009","90","","102.961","0.001","90","","3402.4","0.3","200","2","200","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C36 H20 Cl2 F8 P2 Sn -","- C36 H20 Cl2 F8 P2 Sn -","- C144 H80 Cl8 F32 P8 Sn4 -","4","0.5","","Wächtler, Erik; Wahlicht, Sven; Privér, Steven H.; Bennett, Martin A.; Gerke, Birgit; Pöttgen, Rainer; Brendler, Erica; Gericke, Robert; Wagler, Jörg; Bhargava, Suresh K.","Tin(IV) Compounds with 2-C6F4PPh2 Substituents and Their Reactivity toward Palladium(0): Formation of Tin‒Palladium Complexes via Oxidative Addition","Inorganic Chemistry","2017","","","","","10.1021/acs.inorgchem.7b00410","","","0.71073","MoKα","","0.0377","0.0338","","","0.07","0.0713","","","","","","1.114","","","","has coordinates","195422","2020-10-21","18:00:00",""
"4345690","13.7596","0.0008","16.9479","0.001","22.1692","0.0012","90","","92.87","0.001","90","","5163.3","0.5","200","2","200","2","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C56 H35 Cl2 F12 P3 Pd Sn -","- C56 H35 Cl2 F12 P3 Pd Sn -","- C224 H140 Cl8 F48 P12 Pd4 Sn4 -","4","1","","Wächtler, Erik; Wahlicht, Sven; Privér, Steven H.; Bennett, Martin A.; Gerke, Birgit; Pöttgen, Rainer; Brendler, Erica; Gericke, Robert; Wagler, Jörg; Bhargava, Suresh K.","Tin(IV) Compounds with 2-C6F4PPh2 Substituents and Their Reactivity toward Palladium(0): Formation of Tin‒Palladium Complexes via Oxidative Addition","Inorganic Chemistry","2017","","","","","10.1021/acs.inorgchem.7b00410","","","0.71073","MoKα","","0.0346","0.0251","","","0.0554","0.0585","","","","","","1.056","","","","has coordinates","195422","2020-10-21","18:00:00",""
"4345691","17.0418","0.0006","11.1992","0.0003","40.2181","0.0012","90","","95.499","0.003","90","","7640.5","0.4","180","2","180","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C83 H60 F16 P4 Pd2 Sn2 -","- C83 H60 F16 P4 Pd2 Sn2 -","- C332 H240 F64 P16 Pd8 Sn8 -","4","1","","Wächtler, Erik; Wahlicht, Sven; Privér, Steven H.; Bennett, Martin A.; Gerke, Birgit; Pöttgen, Rainer; Brendler, Erica; Gericke, Robert; Wagler, Jörg; Bhargava, Suresh K.","Tin(IV) Compounds with 2-C6F4PPh2 Substituents and Their Reactivity toward Palladium(0): Formation of Tin‒Palladium Complexes via Oxidative Addition","Inorganic Chemistry","2017","","","","","10.1021/acs.inorgchem.7b00410","","","0.71073","MoKα","","0.0414","0.0264","","","0.0543","0.0589","","","","","","1.021","","","","has coordinates,has disorder","195422","2020-10-21","18:00:00",""
"4345692","13.4251","0.0006","13.4251","0.0006","48.583","0.002","90","","90","","120","","7583.2","0.6","200","2","200","2","","","","","","","","8","R -3 :H","-R 3","148","","","","- C58 H38 Cl F12 O P3 Pd Sn -","- C54 H30 Cl F12 P3 Pd Sn -","- C324 H180 Cl6 F72 P18 Pd6 Sn6 -","6","0.333333","","Wächtler, Erik; Wahlicht, Sven; Privér, Steven H.; Bennett, Martin A.; Gerke, Birgit; Pöttgen, Rainer; Brendler, Erica; Gericke, Robert; Wagler, Jörg; Bhargava, Suresh K.","Tin(IV) Compounds with 2-C6F4PPh2 Substituents and Their Reactivity toward Palladium(0): Formation of Tin‒Palladium Complexes via Oxidative Addition","Inorganic Chemistry","2017","","","","","10.1021/acs.inorgchem.7b00410","","","0.71073","MoKα","","0.0326","0.0253","","","0.069","0.0722","","","","","","1.082","","","","has coordinates","195422","2020-10-21","18:00:00",""
"4345693","12.1015","0.0005","12.6975","0.0005","13.6092","0.0005","72.985","0.001","67.3","0.002","75.069","0.002","1819.75","0.13","100","2","100","2","","","","","","","","7","P -1","-P 1","2","","","","- C38 H25 Cl3 F8 P2 Pd Sn -","- C38 H25 Cl3 F8 P2 Pd Sn -","- C76 H50 Cl6 F16 P4 Pd2 Sn2 -","2","1","","Wächtler, Erik; Wahlicht, Sven; Privér, Steven H.; Bennett, Martin A.; Gerke, Birgit; Pöttgen, Rainer; Brendler, Erica; Gericke, Robert; Wagler, Jörg; Bhargava, Suresh K.","Tin(IV) Compounds with 2-C6F4PPh2 Substituents and Their Reactivity toward Palladium(0): Formation of Tin‒Palladium Complexes via Oxidative Addition","Inorganic Chemistry","2017","","","","","10.1021/acs.inorgchem.7b00410","","","0.71073","MoKα","","0.0262","0.0197","","","0.0445","0.0475","","","","","","1.074","","","","has coordinates","195422","2020-10-21","18:00:00",""
"4345694","17.1656","0.0009","5.5388","0.0003","18.522","0.001","90","","114.149","0.001","90","","1606.9","0.15","150","2","150","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C18 H10 Br F4 P -","- C18 H10 Br F4 P -","- C72 H40 Br4 F16 P4 -","4","1","","Wächtler, Erik; Wahlicht, Sven; Privér, Steven H.; Bennett, Martin A.; Gerke, Birgit; Pöttgen, Rainer; Brendler, Erica; Gericke, Robert; Wagler, Jörg; Bhargava, Suresh K.","Tin(IV) Compounds with 2-C6F4PPh2 Substituents and Their Reactivity toward Palladium(0): Formation of Tin‒Palladium Complexes via Oxidative Addition","Inorganic Chemistry","2017","","","","","10.1021/acs.inorgchem.7b00410","","","0.71073","MoKα","","0.038","0.0263","","","0.0642","0.0667","","","","","","1.051","","","","has coordinates","195422","2020-10-21","18:00:00",""
"4345695","24.356","0.002","11.3941","0.0008","15.268","0.0013","90","","117.94","0.006","90","","3743.2","0.6","150","2","150","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C21 H15 F4 P Pd -","- C21 H15 F4 P Pd -","- C168 H120 F32 P8 Pd8 -","8","1","","Wächtler, Erik; Wahlicht, Sven; Privér, Steven H.; Bennett, Martin A.; Gerke, Birgit; Pöttgen, Rainer; Brendler, Erica; Gericke, Robert; Wagler, Jörg; Bhargava, Suresh K.","Tin(IV) Compounds with 2-C6F4PPh2 Substituents and Their Reactivity toward Palladium(0): Formation of Tin‒Palladium Complexes via Oxidative Addition","Inorganic Chemistry","2017","","","","","10.1021/acs.inorgchem.7b00410","","","0.71073","MoKα","","0.0244","0.0224","","","0.0576","0.0593","","","","","","1.113","","","","has coordinates,has disorder","195422","2020-10-21","18:00:00",""
"4345696","16.1484","0.001","8.8379","0.0005","25.6281","0.0015","90","","102.559","0.001","90","","3570.1","0.4","200","2","200","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C37 H23 Br F8 P2 Pd Sn -","- C37 H23 Br F8 P2 Pd Sn -","- C148 H92 Br4 F32 P8 Pd4 Sn4 -","4","1","","Wächtler, Erik; Wahlicht, Sven; Privér, Steven H.; Bennett, Martin A.; Gerke, Birgit; Pöttgen, Rainer; Brendler, Erica; Gericke, Robert; Wagler, Jörg; Bhargava, Suresh K.","Tin(IV) Compounds with 2-C6F4PPh2 Substituents and Their Reactivity toward Palladium(0): Formation of Tin‒Palladium Complexes via Oxidative Addition","Inorganic Chemistry","2017","","","","","10.1021/acs.inorgchem.7b00410","","","0.71073","MoKα","","0.0749","0.0361","","","0.0623","0.0694","","","","","","0.951","","","","has coordinates","195422","2020-10-21","18:00:00",""
"4345697","14.8361","0.0006","12.9725","0.0005","9.6473","0.0004","90","","102.585","0.0017","90","","1812.12","0.13","100","","100","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C22 H20 Au F2 N -","- C22 H20 Au F2 N -","- C88 H80 Au4 F8 N4 -","4","1","","To, Wai-Pong; Tong, Glenna So Ming; Cheung, Chi-Wah; Yang, Chen; Zhou, Dongling; Che, Chi-Ming","Luminescent Cyclometalated Gold(III) Alkyl Complexes: Photophysical and Photochemical Properties.","Inorganic chemistry","2017","56","9","5046","5059","10.1021/acs.inorgchem.7b00180","","x-ray","1.54178","CuKα","","0.0671","0.0669","","","0.1715","0.1725","","","","","","1.082","","","","has coordinates","196120","2020-10-21","18:00:00",""
"4345698","8.7257","0.0004","16.5188","0.0008","9.5265","0.0004","90","","96.676","0.001","90","","1363.82","0.11","100","","100","","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C18 H14 Au N -","- C18 H14 Au N -","- C72 H56 Au4 N4 -","4","1","","To, Wai-Pong; Tong, Glenna So Ming; Cheung, Chi-Wah; Yang, Chen; Zhou, Dongling; Che, Chi-Ming","Luminescent Cyclometalated Gold(III) Alkyl Complexes: Photophysical and Photochemical Properties.","Inorganic chemistry","2017","56","9","5046","5059","10.1021/acs.inorgchem.7b00180","","x-ray","1.54178","CuKα","","0.0284","0.0279","","","0.0769","0.0777","","","","","","1.107","","","","has coordinates","196120","2020-10-21","18:00:00",""
"4345699","8.5548","0.0002","11.6719","0.0003","14.8892","0.0003","93.9396","0.0017","92.7616","0.0017","105.915","0.002","1422.85","0.06","110","2","110","2","","","","","","","","8","P -1","-P 1","2","","","","- C27 H26 D2 F6 N5 O3 P Ru -","- C27 H26 D2 F6 N5 O3 P Ru -","- C54 H52 D4 F12 N10 O6 P2 Ru2 -","2","1","","Cuello-Garibo, Jordi-Amat; Pérez-Gallent, Elena; van der Boon, Lennard; Siegler, Maxime A.; Bonnet, Sylvestre","Influence of the Steric Bulk and Solvent on the Photoreactivity of Ruthenium Polypyridyl Complexes Coordinated to l-Proline.","Inorganic chemistry","2017","56","9","4818","4828","10.1021/acs.inorgchem.6b02794","","","1.54178","CuKα","","0.0256","0.0246","","","0.0607","0.0614","","","","","","1.029","","","","has coordinates","196129","2020-10-21","18:00:00",""
"4345700","9.89523","0.00028","17.49071","0.00046","4.50002","0.000095","90","","111.504","0.0018","90","","724.63","0.03","293","","293","","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C12 H14 Cl2 N4 Pd2 -","- C12 H14 Cl2 N4 Pd2 -","- C24 H28 Cl4 N8 Pd4 -","2","0.5","","Juribašić Kulcsár, Marina; Halasz, Ivan; Budimir, Ana; Užarević, Krunoslav; Lukin, Stipe; Monas, Andrea; Emmerling, Franziska; Plavec, Janez; Ćurić, Manda","Reversible Gas-Solid Ammonia N-H Bond Activation Mediated by an Organopalladium Complex.","Inorganic chemistry","2017","56","9","5342","5351","10.1021/acs.inorgchem.7b00422","powder diffraction","","1.54056","CuKα1","","","","","","","","0.01","","1.55","","","","","","","has coordinates","196115","2020-10-21","18:00:00",""
"4345701","4.63647","0.00015","11.68659","0.00049","17.78582","0.00064","89.6394","0.0035","76.1249","0.0036","111.661","0.0034","864.71","0.06","293","","293","","","","","","","","","5","P -1","-P 1","2","","","","- C12 H16.07 Cl N5.1 Pd2 -","- C12 H16.0696 Cl N5.104 Pd2 -","- C24 H32.1392 Cl2 N10.208 Pd4 -","2","1","","Juribašić Kulcsár, Marina; Halasz, Ivan; Budimir, Ana; Užarević, Krunoslav; Lukin, Stipe; Monas, Andrea; Emmerling, Franziska; Plavec, Janez; Ćurić, Manda","Reversible Gas-Solid Ammonia N-H Bond Activation Mediated by an Organopalladium Complex.","Inorganic chemistry","2017","56","9","5342","5351","10.1021/acs.inorgchem.7b00422","powder diffraction","","1.54056","CuKα1","","","","","","","","0.014","","2.24","","","","","","","has coordinates","196115","2020-10-21","18:00:00",""
"4345702","11.481","0.0016","14.428","0.002","16.881","0.003","80.963","0.004","82.957","0.004","83.381","0.004","2727.6","0.7","150","2","150","2","","","","","","","","7","P -1","-P 1","2","","","","- C50 H53 F13 N10 O3 P2 Ru -","- C50 H39 F13 N10 O3 P2 Ru -","- C100 H78 F26 N20 O6 P4 Ru2 -","2","1","","Ghosh, Tamal Kanti; Chakraborty, Sourav; Chowdhury, Bijit; Ghosh, Pradyut","Bis-Heteroleptic Ruthenium(II) Complex of Pendant Urea Functionalized Pyridyl Triazole and Phenathroline for Recognition, Sensing, and Extraction of Oxyanions.","Inorganic chemistry","2017","56","9","5371","5382","10.1021/acs.inorgchem.7b00473","","","0.71073","MoKα","","0.1078","0.0625","","","0.15","0.1756","","","","","","1.064","","","","has coordinates","196121","2020-10-21","18:00:00",""
"4345703","37.3679","0.0017","26.2614","0.0017","35.8129","0.0014","90","","118.486","0.007","90","","30890","3","150","2","150","2","","","","","","","","7","C 1 2/c 1","-C 2yc","15","","","","- C18 H128 K N9 Na2 O142 W36 -","- C16.1 H51.3 K N8 Na2 O140.3 W36 -","- C128.8 H410.4 K8 N64 Na16 O1122.4 W288 -","8","1","","Ruiz de la Oliva, Andreu; Sans, Victor; Miras, Haralampos N.; Long, De-Liang; Cronin, Leroy","Coding the Assembly of Polyoxotungstates with a Programmable Reaction System.","Inorganic chemistry","2017","56","9","5089","5095","10.1021/acs.inorgchem.7b00206","","","0.71073","MoKα","","0.1055","0.0539","","","0.1016","0.1241","","","","","","1.021","","","","has coordinates","196128","2020-10-21","18:00:00",""
"4345704","10.616","0.001","14.331","0.001","22.559","0.002","95.85","0.007","90.53","0.009","103.831","0.01","3313.2","0.5","100","2","100","2","","","","","","","","2","P -1","-P 1","2","","","","- C98 Cl21.46 -","- C98 Cl21.456 -","- C196 Cl42.912 -","2","1","","Jin, Fei; Yang, Shangfeng; Troyanov, Sergey I.","New Isolated-Pentagon-Rule Isomers of Fullerene C98 Captured as Chloro Derivatives.","Inorganic chemistry","2017","56","9","4780","4783","10.1021/acs.inorgchem.7b00568","","","0.895","synchrotron","","0.114","0.0748","","","0.1754","0.1882","","","","","","1.104","","","","has coordinates","196134","2020-10-21","18:00:00",""
"4345705","12.949","0.001","12.996","0.001","21.693","0.001","91.76","0.01","101.71","0.01","104.29","0.01","3451.4","0.5","293","2","293","2","","","","","","","","2","P -1","-P 1","2","","","","- C98 Cl22 -","- C98 Cl22 -","- C196 Cl44 -","2","1","","Jin, Fei; Yang, Shangfeng; Troyanov, Sergey I.","New Isolated-Pentagon-Rule Isomers of Fullerene C98 Captured as Chloro Derivatives.","Inorganic chemistry","2017","56","9","4780","4783","10.1021/acs.inorgchem.7b00568","","","0.895","synchrotron","","0.3151","0.1609","","","0.3607","0.3895","","","","","","1.351","","","","has coordinates","196134","2020-10-21","18:00:00",""
"4345706","12.656","0.001","12.8801","0.0008","20.206","0.002","91.641","0.009","90.453","0.008","107.581","0.009","3138.2","0.5","100","2","100","2","","","","","","","","2","P -1","-P 1","2","","","","- C98 Cl18.14 -","- C98 Cl18.138 -","- C196 Cl36.276 -","2","1","","Jin, Fei; Yang, Shangfeng; Troyanov, Sergey I.","New Isolated-Pentagon-Rule Isomers of Fullerene C98 Captured as Chloro Derivatives.","Inorganic chemistry","2017","56","9","4780","4783","10.1021/acs.inorgchem.7b00568","","","0.895","synchrotron","","0.0855","0.0543","","","0.1246","0.1337","","","","","","1.044","","","","has coordinates","196134","2020-10-21","18:00:00",""
"4345707","22.3679","0.0017","12.2493","0.001","25.998","0.003","90","","109.202","0.004","90","","6726.9","1.1","100","2","100","2","","","","","","","","7","C 1 2/c 1","-C 2yc","15","","","","- C46 H94 Co2 Dy F6 O18 P7 -","- C46 H94 Co2 Dy F6 O18 P7 -","- C184 H376 Co8 Dy4 F24 O72 P28 -","4","0.5","","Lim, Kwang Soo; Baldoví, José J; Jiang, ShangDa; Koo, Bong Ho; Kang, Dong Won; Lee, Woo Ram; Koh, Eui Kwan; Gaita-Ariño, Alejandro; Coronado, Eugenio; Slota, Michael; Bogani, Lapo; Hong, Chang Seop","Custom Coordination Environments for Lanthanoids: Tripodal Ligands Achieve Near-Perfect Octahedral Coordination for Two Dysprosium-Based Molecular Nanomagnets.","Inorganic chemistry","2017","56","9","4911","4917","10.1021/acs.inorgchem.6b03118","","","0.71073","MoKα","","0.1494","0.0726","","","0.1387","0.1695","","","","","","0.979","","","","has coordinates,has disorder","196124","2020-10-21","18:00:00",""
"4345708","18.0715","0.0016","29.974","0.003","22.6967","0.0018","90","","109.807","0.004","90","","11566.9","1.8","100","2","100","2","","","","","","","","9","P 1 21/n 1","-P 2yn","14","","","","- C212 H58 Cl18 Co2 F8 N8 O28 Ru8 S3 -","- C212 H58 Cl18 Co2 F8 N8 O28 Ru8 S3 -","- C424 H116 Cl36 Co4 F16 N16 O56 Ru16 S6 -","2","0.5","","Ryu, Ji Yeon; Wi, Eun Hye; Pait, Moumita; Lee, Sunwoo; Stang, Peter J.; Lee, Junseong","Unique Ruthenium Bimetallic Supramolecular Cages From C4-Symmetric Tetrapyridyl Metalloligands.","Inorganic chemistry","2017","56","9","5471","5477","10.1021/acs.inorgchem.7b00556","","","0.71073","MoKα","","0.423","0.2573","","","0.3858","0.4391","","","","","","1.667","","","","has coordinates,has disorder","196131","2020-10-21","18:00:00",""
"4345709","29.9272","0.0011","21.4227","0.0008","33.873","0.0012","90","","93.1497","0.0019","90","","21683.9","1.4","100","2","100","2","","","","","","","","9","P 1 21/c 1","-P 2ybc","14","","","","- C175.5 H153 Cl13.5 Co2 F21 N8 O46 Ru8 S8 -","- C175.5 H153 Cl13.5 Co2 F21 N8 O46.2 Ru8 S8 -","- C702 H612 Cl54 Co8 F84 N32 O184.8 Ru32 S32 -","4","1","","Ryu, Ji Yeon; Wi, Eun Hye; Pait, Moumita; Lee, Sunwoo; Stang, Peter J.; Lee, Junseong","Unique Ruthenium Bimetallic Supramolecular Cages From C4-Symmetric Tetrapyridyl Metalloligands.","Inorganic chemistry","2017","56","9","5471","5477","10.1021/acs.inorgchem.7b00556","","","0.71073","MoKα","","0.1769","0.1203","","","0.2759","0.2951","","","","","","1.895","","","","has coordinates,has disorder","196131","2020-10-21","18:00:00",""
"4345710","18.9011","0.0008","14.8488","0.0007","12.9302","0.0006","90","","90","","90","","3629","0.3","293","2","293","2","","","","","","","","5","F d d 2","F 2 -2d","43","","","","- C8 H8 Cu I5 N4 -","- C8 H8 Cu I5 N4 -","- C64 H64 Cu8 I40 N32 -","8","0.5","","Malaestean, Iurie L.; Kravtsov, Victor Ch; Lipkowski, Janusz; Cariati, Elena; Righetto, Stefania; Marinotto, Daniele; Forni, Alessandra; Fonari, Marina S.","Partial in Situ Reduction of Copper(II) Resulting in One-Pot Formation of 2D Neutral and 3D Cationic Copper(I) Iodide-Pyrazine Coordination Polymers: Structure and Emissive Properties.","Inorganic chemistry","2017","","","","","10.1021/acs.inorgchem.7b00290","","","0.71073","MoKα","","0.0348","0.0314","","","0.0768","0.0792","","","","","","1.068","","","","has coordinates","195563","2020-10-21","18:00:00",""
"4345711","4.2472","0.0014","6.89","0.004","11.065","0.004","90","","98.104","0.009","90","","320.6","0.2","130","2","130","2","","","","","","","","5","P 1 2/c 1","-P 2yc","13","","","","- C4 H4 Cu I N2 -","- C4 H4 Cu I N2 -","- C8 H8 Cu2 I2 N4 -","2","0.5","","Malaestean, Iurie L.; Kravtsov, Victor Ch; Lipkowski, Janusz; Cariati, Elena; Righetto, Stefania; Marinotto, Daniele; Forni, Alessandra; Fonari, Marina S.","Partial in Situ Reduction of Copper(II) Resulting in One-Pot Formation of 2D Neutral and 3D Cationic Copper(I) Iodide-Pyrazine Coordination Polymers: Structure and Emissive Properties.","Inorganic chemistry","2017","","","","","10.1021/acs.inorgchem.7b00290","","","0.71073","MoKα","","0.0081","0.0081","","","0.0225","0.0225","","","","","","1.002","","","","has coordinates","195564","2020-10-21","18:00:00",""
"4345712","10.178","0.004","12.83","0.005","19.363","0.008","73.797","0.008","88.454","0.007","81.239","0.008","2399.4","1.7","298","2","298","2","","","","","","","","8","P -1","-P 1","2","","","","- C36 H22 Cl2 F10 Ir N6 P Pt -","- C36 H22 Cl2 F10 Ir N6 P Pt -","- C72 H44 Cl4 F20 Ir2 N12 P2 Pt2 -","2","1","","Cho, Yang-Jin; Kim, So-Yoen; Choi, Chang Min; Kim, Nam Joon; Kim, Chul Hoon; Cho, Dae Won; Son, Ho-Jin; Pac, Chyongjin; Kang, Sang Ook","Photophysics and Excited-State Properties of Cyclometalated Iridium(III)-Platinum(II) and Iridium(III)-Iridium(III) Bimetallic Complexes Bridged by Dipyridylpyrazine.","Inorganic chemistry","2017","56","9","5305","5315","10.1021/acs.inorgchem.7b00384","","","0.71073","MoKα","","0.1706","0.0629","","","0.155","0.1946","","","","","","0.957","","","","has coordinates","196123","2020-10-21","18:00:00",""
"4345713","12.0214","0.0018","23.478","0.003","14.757","0.002","90","","93.964","0.003","90","","4155","1","293","2","293","2","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C36 H26 F6 Ir N6 P -","- C36 H26 F6 Ir N6 P -","- C144 H104 F24 Ir4 N24 P4 -","4","2","","Cho, Yang-Jin; Kim, So-Yoen; Choi, Chang Min; Kim, Nam Joon; Kim, Chul Hoon; Cho, Dae Won; Son, Ho-Jin; Pac, Chyongjin; Kang, Sang Ook","Photophysics and Excited-State Properties of Cyclometalated Iridium(III)-Platinum(II) and Iridium(III)-Iridium(III) Bimetallic Complexes Bridged by Dipyridylpyrazine.","Inorganic chemistry","2017","56","9","5305","5315","10.1021/acs.inorgchem.7b00384","","","0.71073","MoKα","","0.1167","0.0622","","","0.1344","0.1567","","","","","","0.873","","","","has coordinates","196123","2020-10-21","18:00:00",""
"4345714","15.032","0.004","16.703","0.004","28.599","0.007","90","","101.693","0.005","90","","7032","3","293","2","293","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C58 H34 F20 Ir2 N8 P2 -","- C58 H34 F20 Ir2 N8 P2 -","- C232 H136 F80 Ir8 N32 P8 -","4","1","","Cho, Yang-Jin; Kim, So-Yoen; Choi, Chang Min; Kim, Nam Joon; Kim, Chul Hoon; Cho, Dae Won; Son, Ho-Jin; Pac, Chyongjin; Kang, Sang Ook","Photophysics and Excited-State Properties of Cyclometalated Iridium(III)-Platinum(II) and Iridium(III)-Iridium(III) Bimetallic Complexes Bridged by Dipyridylpyrazine.","Inorganic chemistry","2017","56","9","5305","5315","10.1021/acs.inorgchem.7b00384","","","0.71073","MoKα","","0.1012","0.0569","","","0.1369","0.1522","","","","","","0.94","","","","has coordinates","196123","2020-10-21","18:00:00",""
"4345715","8.8436","0.0003","12.2267","0.0003","8.6639","0.0003","90","","116.33","0.005","90","","839.62","0.06","150","2","150","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C4 B Hg K N4 -","- C4 B Hg K N4 -","- C16 B4 Hg4 K4 N16 -","4","1","","Bernhardt, Eduard; Bernhardt-Pitchougina, Vera; Jenne, Carsten","Reaction of the Tricyanoborate Dianion [B(CN)3](2-) with HgCl2.","Inorganic chemistry","2017","56","9","5465","5470","10.1021/acs.inorgchem.7b00541","","","0.71073","MoKα","","0.02","0.0166","","","0.0363","0.0373","","","","","","1.059","","","","has coordinates","196125","2020-10-21","18:00:00",""
"4345716","9.4052","0.0003","10.1595","0.0003","13.2272","0.0004","101.73","0.003","97.79","0.002","95.21","0.003","1216.91","0.07","298","2","298","2","","","","","","","","6","P -1","-P 1","2","","","","- C54 H40 B2 Hg N6 P2 -","- C54 H40 B2 Hg N6 P2 -","- C54 H40 B2 Hg N6 P2 -","1","0.5","","Bernhardt, Eduard; Bernhardt-Pitchougina, Vera; Jenne, Carsten","Reaction of the Tricyanoborate Dianion [B(CN)3](2-) with HgCl2.","Inorganic chemistry","2017","56","9","5465","5470","10.1021/acs.inorgchem.7b00541","","","0.71073","MoKα","","0.0715","0.0501","","","0.1135","0.1266","","","","","","1.03","","","","has coordinates","196125","2020-10-21","18:00:00",""
"4345717","7.2479","0.0002","7.4525","0.0003","7.8022","0.0002","90","","90","","90","","421.44","0.02","213","2","213","2","","","","","","","","3","P m m n","-P 2ab 2a","59","","","","- Dy Mn3 O6 -","- Dy Mn3 O6 -","- Dy4 Mn12 O24 -","4","","","Zhang, Lei; Matsushita, Yoshitaka; Yamaura, Kazunari; Belik, Alexei A.","Five-Fold Ordering in High-Pressure Perovskites RMn3O6 (R = Gd‒Tm and Y)","Inorganic Chemistry","2017","","","","","10.1021/acs.inorgchem.7b00347","","","0.71073","MoKα","","0.0564","0.0462","","","0.1011","0.1063","","","","","","1.151","","","","has coordinates","195632","2020-10-21","18:00:00",""
"4345718","12.0189","0.0002","23.7073","0.0004","15.0077","0.0003","90","","97.4873","0.0016","90","","4239.77","0.13","120","1","120","1","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C46 H57 Li2 N2 O2.5 P -","- C46 H57 Li2 N2 O2.5 P -","- C184 H228 Li8 N8 O10 P4 -","4","2","","Batke, Sonja; Sietzen, Malte; Wadepohl, Hubert; Ballmann, Joachim","Synthesis of NPN-Coordinated Tantalum Alkyl Complexes and Their Hydrogenolysis: Isolation of a Terminal Tantalum Hydride Incorporating a Doubly Cyclometalated NPN Scaffold","Inorganic Chemistry","2017","","","","","10.1021/acs.inorgchem.7b00277","","x-ray","0.71073","MoKα","","0.0778","0.058","","","0.1277","0.1384","","","","","","1.035","","","","has coordinates","195633","2020-10-21","18:00:00",""
"4345719","8.697","0.004","9.92","0.004","22.13","0.011","101.69","0.008","95.415","0.013","99.097","0.009","1830.3","1.4","100","2","100","1","","","","","","","","5","P -1","-P 1","2","","","","- C37 H40 N2 P Ta -","- C37 H40 N2 P Ta -","- C74 H80 N4 P2 Ta2 -","2","1","","Batke, Sonja; Sietzen, Malte; Wadepohl, Hubert; Ballmann, Joachim","Synthesis of NPN-Coordinated Tantalum Alkyl Complexes and Their Hydrogenolysis: Isolation of a Terminal Tantalum Hydride Incorporating a Doubly Cyclometalated NPN Scaffold","Inorganic Chemistry","2017","","","","","10.1021/acs.inorgchem.7b00277","","x-ray","0.71073","MoKα","","0.042","0.0338","","","0.068","0.0702","","","","","","1.076","","","","has coordinates,has disorder","195633","2020-10-21","18:00:00",""
"4345720","10.24496","0.00017","18.6808","0.0004","19.1934","0.0004","82.1604","0.0016","82.5253","0.0015","89.5979","0.0015","3607.84","0.12","120","1","120","1","","","","","","","","8","P -1","-P 1","2","","","","- C39 H37 F3 N2 O3 P S Ta -","- C39 H37 F3 N2 O3 P S Ta -","- C156 H148 F12 N8 O12 P4 S4 Ta4 -","4","2","","Batke, Sonja; Sietzen, Malte; Wadepohl, Hubert; Ballmann, Joachim","Synthesis of NPN-Coordinated Tantalum Alkyl Complexes and Their Hydrogenolysis: Isolation of a Terminal Tantalum Hydride Incorporating a Doubly Cyclometalated NPN Scaffold","Inorganic Chemistry","2017","","","","","10.1021/acs.inorgchem.7b00277","","x-ray","1.54184","CuKα","","0.0522","0.0343","","","0.0731","0.0796","","","","","","1.003","","","","has coordinates","195633","2020-10-21","18:00:00",""
"4345721","11.5718","0.00014","12.44923","0.00014","14.67713","0.00017","90.3798","0.0009","101.086","0.001","104.768","0.001","2002.94","0.04","120","1","120","1","","","","","","","","6","P -1","-P 1","2","","","","- C44.5 H54 N2 P Si Ta -","- C42 H48 N2 P Si Ta -","- C84 H96 N4 P2 Si2 Ta2 -","2","1","","Batke, Sonja; Sietzen, Malte; Wadepohl, Hubert; Ballmann, Joachim","Synthesis of NPN-Coordinated Tantalum Alkyl Complexes and Their Hydrogenolysis: Isolation of a Terminal Tantalum Hydride Incorporating a Doubly Cyclometalated NPN Scaffold","Inorganic Chemistry","2017","","","","","10.1021/acs.inorgchem.7b00277","","x-ray","1.54184","CuKα","","0.0258","0.0234","","","0.0589","0.0601","","","","","","1.061","","","","has coordinates","195633","2020-10-21","18:00:00",""
"4345722","10.75983","0.00015","18.5817","0.0002","15.9528","0.0002","90","","97.7237","0.0013","90","","3160.6","0.07","120","1","120","1","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C36 H38 N4 P Ta -","- C36 H38 N4 P Ta -","- C144 H152 N16 P4 Ta4 -","4","1","","Batke, Sonja; Sietzen, Malte; Wadepohl, Hubert; Ballmann, Joachim","Synthesis of NPN-Coordinated Tantalum Alkyl Complexes and Their Hydrogenolysis: Isolation of a Terminal Tantalum Hydride Incorporating a Doubly Cyclometalated NPN Scaffold","Inorganic Chemistry","2017","","","","","10.1021/acs.inorgchem.7b00277","","x-ray","0.71073","MoKα","","0.0484","0.0377","","","0.0615","0.0641","","","","","","1.164","","","","has coordinates","195633","2020-10-21","18:00:00",""
"4345723","12.964","0.007","16.745","0.009","29.705","0.015","76.866","0.011","86.362","0.018","71.547","0.012","5957","5","100","2","100","1","","","","","","","","7","P -1","-P 1","2","","","","- C38.5 H38.5 I2 N2 O0.33 P Ta -","- C38.5 H38.5 I2 N2 O0.333333 P Ta -","- C231 H231 I12 N12 O2 P6 Ta6 -","6","3","","Batke, Sonja; Sietzen, Malte; Wadepohl, Hubert; Ballmann, Joachim","Synthesis of NPN-Coordinated Tantalum Alkyl Complexes and Their Hydrogenolysis: Isolation of a Terminal Tantalum Hydride Incorporating a Doubly Cyclometalated NPN Scaffold","Inorganic Chemistry","2017","","","","","10.1021/acs.inorgchem.7b00277","","x-ray","0.71073","MoKα","","0.0813","0.049","","","0.1052","0.1184","","","","","","1.015","","","","has coordinates","195633","2020-10-21","18:00:00",""
"4345724","13.88","0.0002","19.0045","0.0004","20.1978","0.0003","74.5788","0.0015","89.5752","0.0013","72.9103","0.0016","4894.75","0.16","110","1","110","1","","","","","","","","8","P -1","-P 1","2","","","","- C97 H92 F12 N4 O12 P2 S4 Ta2 -","- C97 H92 F12 N4 O12 P2 S4 Ta2 -","- C194 H184 F24 N8 O24 P4 S8 Ta4 -","2","1","","Batke, Sonja; Sietzen, Malte; Wadepohl, Hubert; Ballmann, Joachim","Synthesis of NPN-Coordinated Tantalum Alkyl Complexes and Their Hydrogenolysis: Isolation of a Terminal Tantalum Hydride Incorporating a Doubly Cyclometalated NPN Scaffold","Inorganic Chemistry","2017","","","","","10.1021/acs.inorgchem.7b00277","","x-ray","0.71073","MoKα","","0.0682","0.0525","","","0.1116","0.1191","","","","","","1.035","","","","has coordinates,has disorder","195633","2020-10-21","18:00:00",""
"4345725","13.0048","0.0003","14.5179","0.0003","14.9384","0.0003","94.6661","0.0018","115.584","0.002","108.75","0.002","2327.47","0.11","120","1","120","1","","","","","","","","6","P -1","-P 1","2","","","","- C51 H64 N2 P Si2 Ta -","- C51 H64 N2 P Si2 Ta -","- C102 H128 N4 P2 Si4 Ta2 -","2","1","","Batke, Sonja; Sietzen, Malte; Wadepohl, Hubert; Ballmann, Joachim","Synthesis of NPN-Coordinated Tantalum Alkyl Complexes and Their Hydrogenolysis: Isolation of a Terminal Tantalum Hydride Incorporating a Doubly Cyclometalated NPN Scaffold","Inorganic Chemistry","2017","","","","","10.1021/acs.inorgchem.7b00277","","x-ray","0.71073","MoKα","","0.0452","0.038","","","0.0714","0.0737","","","","","","1.138","","","","has coordinates","195633","2020-10-21","18:00:00",""
"4345726","9.39598","0.00008","21.86855","0.00018","22.49629","0.00019","87.6364","0.0007","82.5388","0.0007","84.0719","0.0007","4556.99","0.07","120","1","120","1","","","","","","","","7","P -1","-P 1","2","","","","- C47 H63 N2 O P2 Si Ta -","- C47 H63 N2 O P2 Si Ta -","- C188 H252 N8 O4 P8 Si4 Ta4 -","4","2","","Batke, Sonja; Sietzen, Malte; Wadepohl, Hubert; Ballmann, Joachim","Synthesis of NPN-Coordinated Tantalum Alkyl Complexes and Their Hydrogenolysis: Isolation of a Terminal Tantalum Hydride Incorporating a Doubly Cyclometalated NPN Scaffold","Inorganic Chemistry","2017","","","","","10.1021/acs.inorgchem.7b00277","","x-ray","1.54184","CuKα","","0.0235","0.021","","","0.0473","0.0483","","","","","","1.065","","","","has coordinates","195633","2020-10-21","18:00:00",""
"4345727","11.08257","0.00012","11.90731","0.00011","20.8619","0.0002","96.7192","0.0008","103.385","0.0009","110.812","0.0009","2442.63","0.05","100","1","100","1","","","","","","","","7","P -1","-P 1","2","","","","- C52 H60 D6 N2 P3 Si Ta -","- C52 H60 D6 N2 P3 Si Ta -","- C104 H120 D12 N4 P6 Si2 Ta2 -","2","1","","Batke, Sonja; Sietzen, Malte; Wadepohl, Hubert; Ballmann, Joachim","Synthesis of NPN-Coordinated Tantalum Alkyl Complexes and Their Hydrogenolysis: Isolation of a Terminal Tantalum Hydride Incorporating a Doubly Cyclometalated NPN Scaffold","Inorganic Chemistry","2017","","","","","10.1021/acs.inorgchem.7b00277","","x-ray","0.71073","MoKα","","0.0291","0.0289","","","0.0699","0.0699","","","","","","1.477","","","","has coordinates","195633","2020-10-21","18:00:00",""
"4345728","10.20187","0.00004","22.75735","0.00006","17.01422","0.00005","90","","102.614","0.0003","90","","3854.81","0.02","120","1","120","1","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C42 H50 N2 P3 Ta -","- C42 H50 N2 P3 Ta -","- C168 H200 N8 P12 Ta4 -","4","1","","Batke, Sonja; Sietzen, Malte; Wadepohl, Hubert; Ballmann, Joachim","Synthesis of NPN-Coordinated Tantalum Alkyl Complexes and Their Hydrogenolysis: Isolation of a Terminal Tantalum Hydride Incorporating a Doubly Cyclometalated NPN Scaffold","Inorganic Chemistry","2017","","","","","10.1021/acs.inorgchem.7b00277","","x-ray","1.54184","CuKα","","0.0183","0.0165","","","0.0397","0.0406","","","","","","1.052","","","","has coordinates","195633","2020-10-21","18:00:00",""
"4345729","11.0869","0.0004","11.1026","0.0004","24.7041","0.0009","90","","90.378","0.001","90","","3040.85","0.19","296","2","296","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C50 H62 Co2 N4 O27 V6 -","- C50 H62 Co2 N4 O27 V6 -","- C100 H124 Co4 N8 O54 V12 -","2","0.5","","Li, Ji-Kun; Dong, Jing; Wei, Chuan-Ping; Yang, Song; Chi, Ying-Nan; Xu, Yan-Qing; Hu, Chang-Wen","Controllable Synthesis of Lindqvist Alkoxopolyoxovanadate Clusters as Heterogeneous Catalysts for Sulfoxidation of Sulfides.","Inorganic chemistry","2017","56","10","5748","5756","10.1021/acs.inorgchem.7b00366","","","0.71073","MoKα","","0.056","0.0462","","","0.1191","0.1285","","","","","","1.099","","","","has coordinates","197395","2020-10-21","18:00:00",""
"4345730","10.8434","0.0018","11.3914","0.0018","12.25","0.002","82.018","0.006","81.561","0.006","64.109","0.005","1341.8","0.4","293","2","293","2","","","","","","","","6","P -1","-P 1","2","","","","- C42 H56 Cu2 N4 O25 V6 -","- C42 H56 Cu2 N4 O25 V6 -","- C42 H56 Cu2 N4 O25 V6 -","1","0.5","","Li, Ji-Kun; Dong, Jing; Wei, Chuan-Ping; Yang, Song; Chi, Ying-Nan; Xu, Yan-Qing; Hu, Chang-Wen","Controllable Synthesis of Lindqvist Alkoxopolyoxovanadate Clusters as Heterogeneous Catalysts for Sulfoxidation of Sulfides.","Inorganic chemistry","2017","56","10","5748","5756","10.1021/acs.inorgchem.7b00366","","","0.71073","MoKα","","0.1064","0.057","","","0.1343","0.1581","","","","","","0.993","","","","has coordinates","197395","2020-10-21","18:00:00",""
"4345731","22.1519","0.0006","14.649","0.0006","18.5252","0.0006","90","","121.271","0.002","90","","5138.1","0.3","296","2","296","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C37 H53 Cu2 N6 O23 V6 -","- C37 H53 Cu2 N6 O23 V6 -","- C148 H212 Cu8 N24 O92 V24 -","4","0.5","","Li, Ji-Kun; Dong, Jing; Wei, Chuan-Ping; Yang, Song; Chi, Ying-Nan; Xu, Yan-Qing; Hu, Chang-Wen","Controllable Synthesis of Lindqvist Alkoxopolyoxovanadate Clusters as Heterogeneous Catalysts for Sulfoxidation of Sulfides.","Inorganic chemistry","2017","56","10","5748","5756","10.1021/acs.inorgchem.7b00366","","","0.71073","MoKα","","0.0635","0.054","","","0.1688","0.1773","","","","","","1.117","","","","has coordinates","197395","2020-10-21","18:00:00",""
"4345732","10.6093","0.0003","12.9751","0.0004","23.5982","0.0007","90","","92.432","0.001","90","","3245.53","0.17","296","2","296","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C48 H72 Co2 N6 O29 V6 -","- C48 H72 Co2 N6 O29 V6 -","- C96 H144 Co4 N12 O58 V12 -","2","0.5","","Li, Ji-Kun; Dong, Jing; Wei, Chuan-Ping; Yang, Song; Chi, Ying-Nan; Xu, Yan-Qing; Hu, Chang-Wen","Controllable Synthesis of Lindqvist Alkoxopolyoxovanadate Clusters as Heterogeneous Catalysts for Sulfoxidation of Sulfides.","Inorganic chemistry","2017","56","10","5748","5756","10.1021/acs.inorgchem.7b00366","","","0.71073","MoKα","","0.0476","0.0397","","","0.1081","0.1177","","","","","","1.076","","","","has coordinates,has disorder","197395","2020-10-21","18:00:00",""
"4345733","10.097","0.009","11.715","0.011","12.835","0.012","78.426","0.016","73.825","0.017","72.759","0.016","1381","2","296","2","296","2","","","","","","","","6","P -1","-P 1","2","","","","- C40 H64 Cu2 N6 O25 V6 -","- C40 H64 Cu2 N6 O25 V6 -","- C40 H64 Cu2 N6 O25 V6 -","1","0.5","","Li, Ji-Kun; Dong, Jing; Wei, Chuan-Ping; Yang, Song; Chi, Ying-Nan; Xu, Yan-Qing; Hu, Chang-Wen","Controllable Synthesis of Lindqvist Alkoxopolyoxovanadate Clusters as Heterogeneous Catalysts for Sulfoxidation of Sulfides.","Inorganic chemistry","2017","56","10","5748","5756","10.1021/acs.inorgchem.7b00366","","","0.71073","MoKα","","0.1546","0.095","","","0.2604","0.3163","","","","","","1.012","","","","has coordinates","197395","2020-10-21","18:00:00",""
"4345734","14.8979","0.0003","19.1466","0.0003","25.3158","0.0003","90","","90","","90","","7221.2","0.2","173","0.14","173.15","","","","","","","","","8","P 21 21 21","P 2ac 2ab","19","","","","- C69 H85 Cl2 Co N5 O12 P3 Ru2 -","- C69 H83 Cl2 Co N5 O12 P3 Ru2 -","- C276 H332 Cl8 Co4 N20 O48 P12 Ru8 -","4","1","","Cheung, Wai-Man; Chiu, Wai-Hang; de Vere-Tucker, Matthew; Sung, Herman H.-Y.; Williams, Ian D.; Leung, Wa-Hung","Heterobimetallic Nitrido Complexes of Group 8 Metalloporphyrins","Inorganic Chemistry","2017","","","","","10.1021/acs.inorgchem.7b00281","","x-ray","1.54178","CuKα","","0.0329","0.0305","","","0.0706","0.0722","","","","","","1.012","","","","has coordinates","195661","2020-10-21","18:00:00",""
"4345735","13.0815","0.0005","13.5417","0.0005","20.0834","0.0008","85.814","0.003","81.328","0.003","79.174","0.003","3450.8","0.2","100.01","0.1","100.01","0.1","","","","","","","","9","P -1","-P 1","2","","","","- C70 H78 Cl2 Co Fe N6 O10 P3 Ru -","- C70 H78 Cl2 Co Fe N6 O10 P3 Ru -","- C140 H156 Cl4 Co2 Fe2 N12 O20 P6 Ru2 -","2","1","","Cheung, Wai-Man; Chiu, Wai-Hang; de Vere-Tucker, Matthew; Sung, Herman H.-Y.; Williams, Ian D.; Leung, Wa-Hung","Heterobimetallic Nitrido Complexes of Group 8 Metalloporphyrins","Inorganic Chemistry","2017","","","","","10.1021/acs.inorgchem.7b00281","","x-ray","1.54184","CuKα","","0.0603","0.0456","","","0.1084","0.1163","","","","","","1.003","","","","has coordinates","195661","2020-10-21","18:00:00",""
"4345736","6.1139","0.0004","8.7718","0.0005","13.1543","0.0008","101.048","0.002","101.805","0.002","96.546","0.002","669.07","0.07","120","2","120","2","","","","","","","","4","P -1","-P 1","2","","","","- C7 H16 Gd O14 -","- C7 H16 Gd O14 -","- C14 H32 Gd2 O28 -","2","1","","Biswas, Soumava; Chakraborty, Jayita; Singh Parmar, Vijay; Bera, Siba Prasad; Ganguli, Nirmal; Konar, Sanjit","Channel-Assisted Proton Conduction Behavior in Hydroxyl-Rich Lanthanide-Based Magnetic Metal-Organic Frameworks.","Inorganic chemistry","2017","56","9","4956","4965","10.1021/acs.inorgchem.6b03147","","","0.71073","MoKα","","0.0308","0.0255","","","0.0552","0.0599","","","","","","1.078","","","","has coordinates","196133","2020-10-21","18:00:00",""
"4345737","13.7952","0.0004","16.7958","0.0004","18.4409","0.0006","90","","102.058","0.002","90","","4178.5","0.2","123","2","123","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C28 H54 Hf3 N6 O26 -","- C28 H46 Hf3 N6 O26 -","- C112 H184 Hf12 N24 O104 -","4","0.5","","Berger, Markus; Bauser, Marcus; Frenzel, Thomas; Hilger, Christoph Stephan; Jost, Gregor; Lauria, Silvia; Morgenstern, Bernd; Neis, Christian; Pietsch, Hubertus; Sülzle, Detlev; Hegetschweiler, Kaspar","Hafnium-Based Contrast Agents for X-ray Computed Tomography.","Inorganic chemistry","2017","56","10","5757","5761","10.1021/acs.inorgchem.7b00359","","","0.71073","MoKα","","0.0323","0.0288","","","0.0707","0.0727","","","","","","1.074","","","","has coordinates,has disorder","197393","2020-10-21","18:00:00",""
"4345738","12.598","0.003","18.186","0.004","20.913","0.004","90","","90","","90","","4791.3","1.8","123","2","123","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C28 H68 Hf3 N6 O33 -","- C28 H68 Hf3 N6 O33 -","- C112 H272 Hf12 N24 O132 -","4","1","","Berger, Markus; Bauser, Marcus; Frenzel, Thomas; Hilger, Christoph Stephan; Jost, Gregor; Lauria, Silvia; Morgenstern, Bernd; Neis, Christian; Pietsch, Hubertus; Sülzle, Detlev; Hegetschweiler, Kaspar","Hafnium-Based Contrast Agents for X-ray Computed Tomography.","Inorganic chemistry","2017","56","10","5757","5761","10.1021/acs.inorgchem.7b00359","","","0.71073","MoKα","","0.0156","0.0154","","","0.0367","0.0368","","","","","","1.168","","","","has coordinates","197393","2020-10-21","18:00:00",""
"4345739","19.33","0.0016","18.2638","0.0016","12.0345","0.001","90","","99.968","0.006","90","","4184.5","0.6","123","2","123","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C30 H60 Hf3 N6 O27 -","- C30 H58 Hf3 N6 O27 -","- C120 H232 Hf12 N24 O108 -","4","0.5","","Berger, Markus; Bauser, Marcus; Frenzel, Thomas; Hilger, Christoph Stephan; Jost, Gregor; Lauria, Silvia; Morgenstern, Bernd; Neis, Christian; Pietsch, Hubertus; Sülzle, Detlev; Hegetschweiler, Kaspar","Hafnium-Based Contrast Agents for X-ray Computed Tomography.","Inorganic chemistry","2017","56","10","5757","5761","10.1021/acs.inorgchem.7b00359","","","0.71073","MoKα","","0.034","0.0241","","","0.0458","0.0484","","","","","","1.022","","","","has coordinates,has disorder","197393","2020-10-21","18:00:00",""
"4345740","20.0575","0.0007","9.365","0.0003","18.967","0.0006","90","","118.087","0.001","90","","3143.16","0.18","100","2","100","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C24 H24 Cl7 N4 O3 Re -","- C24 H24 Cl7 N4 O3 Re -","- C96 H96 Cl28 N16 O12 Re4 -","4","1","","Suntrup, Lisa; Klenk, Sinja; Klein, Johannes; Sobottka, Sebastian; Sarkar, Biprajit","Gauging Donor/Acceptor Properties and Redox Stability of Chelating Click-Derived Triazoles and Triazolylidenes: A Case Study with Rhenium(I) Complexes.","Inorganic chemistry","2017","56","10","5771","5783","10.1021/acs.inorgchem.7b00393","","","0.71073","MoKα","","0.0508","0.0392","","","0.1192","0.1286","","","","","","0.888","","","","has coordinates","197397","2020-10-21","18:00:00",""
"4345741","21.545","0.011","14.423","0.008","11.529","0.006","90","","95.35","0.011","90","","3567","3","140","2","140","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C63 H74 Cl4 N12 O6 Re2 -","- C63 H74 Cl4 N12 O6 Re2 -","- C126 H148 Cl8 N24 O12 Re4 -","2","0.5","","Suntrup, Lisa; Klenk, Sinja; Klein, Johannes; Sobottka, Sebastian; Sarkar, Biprajit","Gauging Donor/Acceptor Properties and Redox Stability of Chelating Click-Derived Triazoles and Triazolylidenes: A Case Study with Rhenium(I) Complexes.","Inorganic chemistry","2017","56","10","5771","5783","10.1021/acs.inorgchem.7b00393","","","0.71073","MoKα","","0.0966","0.06","","","0.1509","0.1816","","","","","","1.111","","","","has coordinates","197397","2020-10-21","18:00:00",""
"4345742","9.342","0.005","10.52","0.005","15.983","0.005","90.251","0.005","105.58","0.005","115.435","0.005","1353.4","1.1","100","2","100","2","","","","","","","","6","P -1","-P 1","2","","","","- C24 H26 Cl3 N4 O3 Re -","- C24 H26 Cl3 N4 O3 Re -","- C48 H52 Cl6 N8 O6 Re2 -","2","1","","Suntrup, Lisa; Klenk, Sinja; Klein, Johannes; Sobottka, Sebastian; Sarkar, Biprajit","Gauging Donor/Acceptor Properties and Redox Stability of Chelating Click-Derived Triazoles and Triazolylidenes: A Case Study with Rhenium(I) Complexes.","Inorganic chemistry","2017","56","10","5771","5783","10.1021/acs.inorgchem.7b00393","","","0.71069","MoKα","","0.0202","0.0179","","","0.0511","0.0528","","","","","","1.202","","","","has coordinates","197397","2020-10-21","18:00:00",""
"4345743","13.675","0.004","13.785","0.004","23.598","0.006","90","","90","","90","","4448","2","130","2","130","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C32 H37.55 Cl N6 O3 Re -","- C32 H37.545 Cl N6 O3 Re -","- C128 H150.18 Cl4 N24 O12 Re4 -","4","1","","Suntrup, Lisa; Klenk, Sinja; Klein, Johannes; Sobottka, Sebastian; Sarkar, Biprajit","Gauging Donor/Acceptor Properties and Redox Stability of Chelating Click-Derived Triazoles and Triazolylidenes: A Case Study with Rhenium(I) Complexes.","Inorganic chemistry","2017","56","10","5771","5783","10.1021/acs.inorgchem.7b00393","","","0.71073","MoKα","","0.0463","0.0333","","","0.0735","0.0792","","","","","","1.032","","","","has coordinates,has disorder","197397","2020-10-21","18:00:00",""
"4345744","14.618","0.005","14.755","0.005","19.167","0.005","90","","93.621","0.005","90","","4126","2","140","2","140","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C69 H86 Cl8 N12 O6 Re2 -","- C69 H86 Cl8 N12 O6 Re2 -","- C138 H172 Cl16 N24 O12 Re4 -","2","0.5","","Suntrup, Lisa; Klenk, Sinja; Klein, Johannes; Sobottka, Sebastian; Sarkar, Biprajit","Gauging Donor/Acceptor Properties and Redox Stability of Chelating Click-Derived Triazoles and Triazolylidenes: A Case Study with Rhenium(I) Complexes.","Inorganic chemistry","2017","56","10","5771","5783","10.1021/acs.inorgchem.7b00393","","","0.71069","MoKα","","0.0951","0.0567","","","0.1572","0.1825","","","","","","1.086","","","","has coordinates,has disorder","197397","2020-10-21","18:00:00",""
"4345745","7.777","0.005","8.455","0.005","11.574","0.005","107.891","0.005","91.244","0.005","92.904","0.005","722.8","0.7","140","2","140","2","","","","","","","","6","P -1","-P 1","2","","","","- C12 H10 Cl N4 O3 Re -","- C12 H10 Cl N4 O3 Re -","- C24 H20 Cl2 N8 O6 Re2 -","2","1","","Suntrup, Lisa; Klenk, Sinja; Klein, Johannes; Sobottka, Sebastian; Sarkar, Biprajit","Gauging Donor/Acceptor Properties and Redox Stability of Chelating Click-Derived Triazoles and Triazolylidenes: A Case Study with Rhenium(I) Complexes.","Inorganic chemistry","2017","56","10","5771","5783","10.1021/acs.inorgchem.7b00393","","","0.71069","MoKα","","0.0629","0.0442","","","0.0896","0.0967","","","","","","1.052","","","","has coordinates","197397","2020-10-21","18:00:00",""
"4345746","13.15","0.004","10.394","0.003","25.411","0.007","90","","96.506","0.006","90","","3450.8","1.7","140","2","140","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C11.5 H13 Cl2 N6 O3 Re -","- C11.5 H13 Cl2 N6 O3 Re -","- C92 H104 Cl16 N48 O24 Re8 -","8","2","","Suntrup, Lisa; Klenk, Sinja; Klein, Johannes; Sobottka, Sebastian; Sarkar, Biprajit","Gauging Donor/Acceptor Properties and Redox Stability of Chelating Click-Derived Triazoles and Triazolylidenes: A Case Study with Rhenium(I) Complexes.","Inorganic chemistry","2017","56","10","5771","5783","10.1021/acs.inorgchem.7b00393","","","0.71073","MoKα","","0.0653","0.0413","","","0.0976","0.1064","","","","","","1.131","","","","has coordinates","251896","2020-10-21","18:00:00",""
"4345747","30.6471","0.0004","24.3702","0.0003","21.9002","0.0003","90","","102.19","0.001","90","","15987.9","0.4","296","2","296","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C108 Br30 N12 Pb9 -","- C108 Br30 N12 Pb9 -","- C432 Br120 N48 Pb36 -","4","0.5","","Liu, Guangfeng; Liu, Jie; Nie, Lina; Ban, Rui; Armatas, Gerasimos S.; Tao, Xutang; Zhang, Qichun","Surfactant 1-Hexadecyl-3-methylimidazolium Chloride Can Convert One-Dimensional Viologen Bromoplumbate into Zero-Dimensional.","Inorganic chemistry","2017","56","10","5498","5501","10.1021/acs.inorgchem.7b00648","","","0.71073","MoKα","","0.12","0.0541","","","0.1526","0.1897","","","","","","1.038","","","","has coordinates","197394","2020-10-21","18:00:00",""
"4345748","18.9467","0.0004","5.134","0.0001","10.6284","0.0002","90","","109.632","0.012","90","","973.75","0.08","298","","298","","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- Al2 Li6 O22 Te8 -","- Al2 Li6 O22 Te8 -","- Al4 Li12 O44 Te16 -","2","0.25","","Lü, Minfeng; Jo, Hongil; Oh, Seung-Jin; Lee, Suheon; Choi, Kwang-Yong; Yu, Yang; Ok, Kang Min","Syntheses, Structures, and Characterization of Quaternary Tellurites, Li3MTe4O11 (M = Al, Ga, and Fe).","Inorganic chemistry","2017","56","10","5873","5879","10.1021/acs.inorgchem.7b00530","","x-ray","0.71073","MoKα","","0.0483","0.034","","","0.032","0.0346","","","","1.28","1.28","1.23","","","","has coordinates","197405","2020-10-21","18:00:00",""
"4345749","18.7906","0.001","5.1841","0.0002","10.7786","0.0005","90","","109.726","0.004","90","","988.35","0.08","298","","298","","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- Ga2 Li6 O22 Te8 -","- Ga2 Li6 O22 Te8 -","- Ga4 Li12 O44 Te16 -","2","0.25","","Lü, Minfeng; Jo, Hongil; Oh, Seung-Jin; Lee, Suheon; Choi, Kwang-Yong; Yu, Yang; Ok, Kang Min","Syntheses, Structures, and Characterization of Quaternary Tellurites, Li3MTe4O11 (M = Al, Ga, and Fe).","Inorganic chemistry","2017","56","10","5873","5879","10.1021/acs.inorgchem.7b00530","","x-ray","0.71073","MoKα","","0.0257","0.0234","","","0.0305","0.0311","","","","1.87","1.87","1.82","","","","has coordinates","197405","2020-10-21","18:00:00",""
"4345750","12.5054","0.0006","12.5054","0.0006","71.307","0.005","90","","90","","120","","9657.4","0.9","223","2","223","2","","","","","","","","7","R -3 c :H","-R 3 2""c","167","","","","- C36 H53 B2 Cu6 N27 S6 W2 -","- C36 H53 B2 Cu6 N27 S6 W2 -","- C216 H318 B12 Cu36 N162 S36 W12 -","6","0.166667","","Chen, Qiu-Fang; Zhao, Xin; Liu, Quan; Jia, Ji-Dong; Qiu, Xiao-Ting; Song, Ying-Lin; Young, David James; Zhang, Wen-Hua; Lang, Jian-Ping","Tungsten(VI)-Copper(I)-Sulfur Cluster-Supported Metal-Organic Frameworks Bridged by in Situ Click-Formed Tetrazolate Ligands.","Inorganic chemistry","2017","56","10","5669","5679","10.1021/acs.inorgchem.7b00261","","","0.71073","MoKα","","0.0441","0.0328","","","0.0878","0.1005","","","","","","1.12","","","","has coordinates","197396","2020-10-21","18:00:00",""
"4345751","12.0896","0.0007","12.0896","0.0007","81.755","0.007","90","","90","","120","","10348.3","1.2","223","2","223","2","","","","","","","","7","R -3 :H","-R 3","148","","","","- C39 H59 B2 Cu6 N27 S6 W2 -","- C39 H59 B2 Cu6 N27 S6 W2 -","- C234 H354 B12 Cu36 N162 S36 W12 -","6","0.333333","","Chen, Qiu-Fang; Zhao, Xin; Liu, Quan; Jia, Ji-Dong; Qiu, Xiao-Ting; Song, Ying-Lin; Young, David James; Zhang, Wen-Hua; Lang, Jian-Ping","Tungsten(VI)-Copper(I)-Sulfur Cluster-Supported Metal-Organic Frameworks Bridged by in Situ Click-Formed Tetrazolate Ligands.","Inorganic chemistry","2017","56","10","5669","5679","10.1021/acs.inorgchem.7b00261","","","0.71073","MoKα","","0.1455","0.0991","","","0.2286","0.2526","","","","","","1.117","","","","has coordinates","197396","2020-10-21","18:00:00",""
"4345752","11.4912","0.0003","11.4912","0.0003","93.945","0.006","90","","90","","120","","10743.2","0.8","223","2","223","2","","","","","","","","8","R -3 c :H","-R 3 2""c","167","","","","- C39 H59 B3 Cu6 F4 N24 S6 W2 -","- C39 H59 B2.3334 Cu6 F4.0006 N24 S6 W2 -","- C234 H354 B14.0004 Cu36 F24.0036 N144 S36 W12 -","6","0.166667","","Chen, Qiu-Fang; Zhao, Xin; Liu, Quan; Jia, Ji-Dong; Qiu, Xiao-Ting; Song, Ying-Lin; Young, David James; Zhang, Wen-Hua; Lang, Jian-Ping","Tungsten(VI)-Copper(I)-Sulfur Cluster-Supported Metal-Organic Frameworks Bridged by in Situ Click-Formed Tetrazolate Ligands.","Inorganic chemistry","2017","56","10","5669","5679","10.1021/acs.inorgchem.7b00261","","","0.71073","MoKα","","0.0456","0.0304","","","0.0744","0.0801","","","","","","1.003","","","","has coordinates,has disorder","197396","2020-10-21","18:00:00",""
"4345753","11.5194","0.001","11.5194","0.001","94.135","0.012","90","","90","","120","","10817.9","1.9","223","2","223","2","","","","","","","","8","R -3 c :H","-R 3 2""c","167","","","","- C42 H65 B3 Cu6 F4 N24 S6 W2 -","- C42 H65 B3.0002 Cu6 F4.0008 N24 S6 W2 -","- C252 H390 B18.0012 Cu36 F24.0048 N144 S36 W12 -","6","0.166667","","Chen, Qiu-Fang; Zhao, Xin; Liu, Quan; Jia, Ji-Dong; Qiu, Xiao-Ting; Song, Ying-Lin; Young, David James; Zhang, Wen-Hua; Lang, Jian-Ping","Tungsten(VI)-Copper(I)-Sulfur Cluster-Supported Metal-Organic Frameworks Bridged by in Situ Click-Formed Tetrazolate Ligands.","Inorganic chemistry","2017","56","10","5669","5679","10.1021/acs.inorgchem.7b00261","","","0.71073","MoKα","","0.0498","0.0427","","","0.1187","0.1235","","","","","","1.304","","","","has coordinates,has disorder","197396","2020-10-21","18:00:00",""
"4345754","11.5288","0.001","11.5288","0.001","93.891","0.009","90","","90","","120","","10807.4","1.7","223","2","223","2","","","","","","","","8","R -3 c :H","-R 3 2""c","167","","","","- C15 H23.67 B Cu2 F1.33 N8 S2 W0.67 -","- C15 H23.6667 B1.00007 Cu2 F1.3336 N8 S2 W0.666667 -","- C270 H426 B18.0012 Cu36 F24.0048 N144 S36 W12 -","18","0.5","","Chen, Qiu-Fang; Zhao, Xin; Liu, Quan; Jia, Ji-Dong; Qiu, Xiao-Ting; Song, Ying-Lin; Young, David James; Zhang, Wen-Hua; Lang, Jian-Ping","Tungsten(VI)-Copper(I)-Sulfur Cluster-Supported Metal-Organic Frameworks Bridged by in Situ Click-Formed Tetrazolate Ligands.","Inorganic chemistry","2017","56","10","5669","5679","10.1021/acs.inorgchem.7b00261","","","0.71073","MoKα","","0.0564","0.0429","","","0.112","0.1222","","","","","","1.179","","","","has coordinates,has disorder","197396","2020-10-21","18:00:00",""
"4345755","11.6295","0.0006","11.6295","0.0006","93.185","0.008","90","","90","","120","","10914.4","1.2","223","2","223","2","","","","","","","","8","R -3 c :H","-R 3 2""c","167","","","","- C16 H14 B Cu2 F1.33 N8 S2 W0.67 -","- C16 H14 B1.00007 Cu2 F1.3336 N8 S2 W0.666667 -","- C288 H252 B18.0012 Cu36 F24.0048 N144 S36 W12 -","18","0.5","","Chen, Qiu-Fang; Zhao, Xin; Liu, Quan; Jia, Ji-Dong; Qiu, Xiao-Ting; Song, Ying-Lin; Young, David James; Zhang, Wen-Hua; Lang, Jian-Ping","Tungsten(VI)-Copper(I)-Sulfur Cluster-Supported Metal-Organic Frameworks Bridged by in Situ Click-Formed Tetrazolate Ligands.","Inorganic chemistry","2017","56","10","5669","5679","10.1021/acs.inorgchem.7b00261","","","0.71073","MoKα","","0.0482","0.0423","","","0.1059","0.1091","","","","","","1.162","","","","has coordinates,has disorder","197396","2020-10-21","18:00:00",""
"4345756","25.994","0.017","25.994","0.017","33.868","0.017","90","","90","","90","","22884","2","223","2","223","2","","","","","","","","7","I 41/a c d :2","-I 4bd 2c","142","","","","- C60 H88 B4 Cu12 N24 S16 W4 -","- C60 H88 B4 Cu12 N24 S16 W4 -","- C480 H704 B32 Cu96 N192 S128 W32 -","8","0.25","","Chen, Qiu-Fang; Zhao, Xin; Liu, Quan; Jia, Ji-Dong; Qiu, Xiao-Ting; Song, Ying-Lin; Young, David James; Zhang, Wen-Hua; Lang, Jian-Ping","Tungsten(VI)-Copper(I)-Sulfur Cluster-Supported Metal-Organic Frameworks Bridged by in Situ Click-Formed Tetrazolate Ligands.","Inorganic chemistry","2017","56","10","5669","5679","10.1021/acs.inorgchem.7b00261","","","0.71073","MoKα","","0.0673","0.0353","","","0.0739","0.0946","","","","","","1.219","","","","has coordinates","264242","2021-04-16","08:52:18",""
"4345757","10.255","0.002","15.408","0.003","15.654","0.003","71.9","0.03","70.88","0.03","70.56","0.03","2146.6","0.9","296","2","296","2","","","","","","","","7","P -1","-P 1","2","","","","- C63 H78 B2 Cu10 N24 S6 W2 -","- C63 H78 B2 Cu10 N24 S6 W2 -","- C63 H78 B2 Cu10 N24 S6 W2 -","1","0.5","","Chen, Qiu-Fang; Zhao, Xin; Liu, Quan; Jia, Ji-Dong; Qiu, Xiao-Ting; Song, Ying-Lin; Young, David James; Zhang, Wen-Hua; Lang, Jian-Ping","Tungsten(VI)-Copper(I)-Sulfur Cluster-Supported Metal-Organic Frameworks Bridged by in Situ Click-Formed Tetrazolate Ligands.","Inorganic chemistry","2017","56","10","5669","5679","10.1021/acs.inorgchem.7b00261","","","0.71073","MoKα","","0.134","0.0826","","","0.0961","0.1052","","","","","","1.1","","","","has coordinates,has disorder","197396","2020-10-21","18:00:00",""
"4345758","19.8428","0.0011","23.6605","0.001","26.0484","0.0011","90","","95.874","0.004","90","","12165.3","1","173","2","173","2","","","","","","","","8","C 1 2/c 1","-C 2yc","15","","","","- C120 H100 Ag2 Cl10 N2 O8 P6 Pt -","- C116 H92 Ag2 Cl2 N2 O8 P6 Pt -","- C464 H368 Ag8 Cl8 N8 O32 P24 Pt4 -","4","0.5","","Shu, Hui-Xing; Wang, Jin-Yun; Zhang, Qian-Chong; Chen, Zhong-Ning","Photophysical and Electroluminescent Properties of PtAg2 Acetylide Complexes Supported with meso- and rac-Tetraphosphine.","Inorganic chemistry","2017","56","16","9461","9473","10.1021/acs.inorgchem.7b00452","","","0.71073","MoKα","","0.0425","0.0376","","","0.098","0.1014","","","","","","1.059","","","","has coordinates","200655","2020-10-21","18:00:00",""
"4345759","13.92","0.002","14.806","0.002","20.58","0.004","109.113","0.007","95.588","0.009","112.005","0.007","3596.6","1.1","298","2","298","2","","","","","","","","9","P -1","-P 1","2","","","","- C76 H61 Ag2 Cl2 F6 N0 O4 P5 Pt -","- C76 H61 Ag2 Cl2 F6 O4 P5 Pt -","- C152 H122 Ag4 Cl4 F12 O8 P10 Pt2 -","2","1","","Shu, Hui-Xing; Wang, Jin-Yun; Zhang, Qian-Chong; Chen, Zhong-Ning","Photophysical and Electroluminescent Properties of PtAg2 Acetylide Complexes Supported with meso- and rac-Tetraphosphine.","Inorganic chemistry","2017","56","16","9461","9473","10.1021/acs.inorgchem.7b00452","","","0.71073","MoKα","","0.0621","0.0487","","","0.1093","0.1321","","","","","","1.095","","","","has coordinates","200655","2020-10-21","18:00:00",""
"4345760","15.9175","0.0009","17.1766","0.0009","21.6397","0.0011","90","","90","","90","","5916.5","0.5","123","","123","","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C59 H35 Eu F18 O10 P2 -","- C59 H35 Eu F18 O10 P2 -","- C236 H140 Eu4 F72 O40 P8 -","4","1","","Koiso, Naoyuki; Kitagawa, Yuichi; Nakanishi, Takayuki; Fushimi, Koji; Hasegawa, Yasuchika","Eu(III) Chiral Coordination Polymer with a Structural Transformation System.","Inorganic chemistry","2017","56","10","5741","5747","10.1021/acs.inorgchem.7b00337","","","0.71075","MoKα","","0.1792","0.068","","","0.0847","0.1075","","","","","","1","","","","has coordinates","197399","2020-10-21","18:00:00",""
"4345761","27.686","0.003","27.686","0.003","3.7678","0.0005","90","","90","","90","","2888.1","0.6","295","2","294.99","","","","","","","","","5","P 4/n","-P 4a","85","","","","- C18 H10 F N2 O3 -","- C16 H10 F N3 O3 -","- C128 H80 F8 N24 O24 -","8","","","Wang, Yazhen; Yu, Feihu; Han, Xiao; Li, Ming; Tong, Yue; Ding, Jie; Hou, Hongwei","From Surprising Solvothermal Reaction to Uncommon Zinc(II)-Catalyzed Aromatic C-H Activation Reaction for Direct Nitroquinoline Synthesis.","Inorganic chemistry","2017","56","10","5953","5958","10.1021/acs.inorgchem.7b00653","","","0.71073","MoKα","","0.1584","0.0902","","","0.2435","0.2796","","","","","","1.076","","","","has coordinates","197404","2020-10-21","18:00:00",""
"4345762","10.0514","0.0008","10.8396","0.0008","12.8043","0.0011","90","","111.397","0.006","90","","1298.91","0.19","293","2","293","2","","","","","","","","2","P 1 21/n 1","-P 2yn","14","","","","- I12 W6 -","- I12 W6 -","- I24 W12 -","2","0.5","","Ströbele, Markus; Meyer, Hans-Jürgen","A Reaction Cycle for Octahedral Tungsten Iodide Clusters.","Inorganic chemistry","2017","56","10","5880","5884","10.1021/acs.inorgchem.7b00537","","","0.71073","MoKα","","0.0562","0.0444","","","0.0642","0.0675","","","","","","1.054","","","","has coordinates","197401","2020-10-21","18:00:00",""
"4345763","9.9618","0.001","10.9049","0.0008","13.0586","0.001","89.997","0.006","106.695","0.007","98.77","0.007","1341.5","0.2","293","2","293","2","","","","","","","","2","P -1","-P 1","2","","","","- I12.73 W6 -","- I12.737 W6 -","- I25.474 W12 -","2","1","","Ströbele, Markus; Meyer, Hans-Jürgen","A Reaction Cycle for Octahedral Tungsten Iodide Clusters.","Inorganic chemistry","2017","56","10","5880","5884","10.1021/acs.inorgchem.7b00537","","","0.71073","MoKα","","0.071","0.0384","","","0.0684","0.077","","","","","","0.985","","","","has coordinates","197401","2020-10-21","18:00:00",""
"4345764","21.1","0.002","11.9328","0.0009","20.623","0.002","90","","117.349","0.003","90","","4612.1","0.7","100","2","100","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C34 H38 Br3 Er N6 O18.5 Zn2 -","- C34 H38 Br3 Er N6 O18.5 Zn2 -","- C136 H152 Br12 Er4 N24 O74 Zn8 -","4","1","","Fondo, Matilde; Corredoira-Vázquez, Julio; García-Deibe, Ana M; Sanmartín-Matalobos, Jesús; Herrera, Juan Manuel; Colacio, Enrique","Designing Ligands to Isolate ZnLn and Zn2Ln Complexes: Field-Induced Single-Ion Magnet Behavior of the ZnDy, Zn2Dy, and Zn2Er Analogues.","Inorganic chemistry","2017","56","10","5646","5656","10.1021/acs.inorgchem.7b00165","","","0.71073","MoKα","","0.0682","0.045","","","0.082","0.0898","","","","","","1.057","","","","has coordinates,has disorder","197402","2020-10-21","18:00:00",""
"4345765","10.8136","0.0006","15.4254","0.0009","27.1409","0.0015","90","","97.725","0.003","90","","4486.1","0.4","100","2","100","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C34.25 H43 Br3 Dy N6 O16.5 Zn -","- C34.25 H43 Br3 Dy N6 O16.5 Zn -","- C137 H172 Br12 Dy4 N24 O66 Zn4 -","4","1","","Fondo, Matilde; Corredoira-Vázquez, Julio; García-Deibe, Ana M; Sanmartín-Matalobos, Jesús; Herrera, Juan Manuel; Colacio, Enrique","Designing Ligands to Isolate ZnLn and Zn2Ln Complexes: Field-Induced Single-Ion Magnet Behavior of the ZnDy, Zn2Dy, and Zn2Er Analogues.","Inorganic chemistry","2017","56","10","5646","5656","10.1021/acs.inorgchem.7b00165","","","0.71073","MoKα","","0.1176","0.0582","","","0.1199","0.1394","","","","","","1.039","","","","has coordinates,has disorder","197402","2020-10-21","18:00:00",""
"4345768","24.0267","0.0009","17.1784","0.0004","20.7235","0.0006","90","","90","","90","","8553.4","0.5","100","2","100","2","","","","","","","","7","P n a 21","P 2c -2n","33","","","","- C72 H62 Cl2 Gd2 Mn4 N14 O30 -","- C72 H62 Cl2 Gd2 Mn4 N14 O30 -","- C288 H248 Cl8 Gd8 Mn16 N56 O120 -","4","1","","Savva, Maria; Skordi, Katerina; Fournet, Adeline D.; Thuijs, Annaliese E.; Christou, George; Perlepes, Spyros P.; Papatriantafyllopoulou, Constantina; Tasiopoulos, Anastasios J.","Heterometallic Mn(III)4Ln2 (Ln = Dy, Gd, Tb) Cross-Shaped Clusters and Their Homometallic Mn(III)4Mn(II)2 Analogues.","Inorganic chemistry","2017","56","10","5657","5668","10.1021/acs.inorgchem.7b00191","","","0.71073","MoKα","","0.0516","0.046","","","0.1227","0.1284","","","","","","0.871","","","","has coordinates","197398","2020-10-21","18:00:00",""
"4345769","37.293","0.005","37.293","0.005","24.475","0.005","90","0.005","90","0.005","120","0.005","29479","8","100","2","100","2","","","","","","","","6","R -3 :H","-R 3","148","","","","- C50 H42 Mn4 N10 O26 Tb2 -","- C50 H42 Mn4 N10 O26 Tb2 -","- C450 H378 Mn36 N90 O234 Tb18 -","9","0.5","","Savva, Maria; Skordi, Katerina; Fournet, Adeline D.; Thuijs, Annaliese E.; Christou, George; Perlepes, Spyros P.; Papatriantafyllopoulou, Constantina; Tasiopoulos, Anastasios J.","Heterometallic Mn(III)4Ln2 (Ln = Dy, Gd, Tb) Cross-Shaped Clusters and Their Homometallic Mn(III)4Mn(II)2 Analogues.","Inorganic chemistry","2017","56","10","5657","5668","10.1021/acs.inorgchem.7b00191","","","0.71073","MoKα","","0.1285","0.0936","","","0.2403","0.2853","","","","","","1.003","","","","has coordinates","197398","2020-10-21","18:00:00",""
"4345770","37.2321","0.0012","37.2321","0.0012","24.4488","0.0009","90","","90","","120","","29351","1.7","100","2","100","2","","","","","","","","6","R -3 :H","-R 3","148","","","","- C50 H42 Gd2 Mn4 N12 O32 -","- C50 H42 Gd2 Mn4 N12 O32 -","- C450 H378 Gd18 Mn36 N108 O288 -","9","0.5","","Savva, Maria; Skordi, Katerina; Fournet, Adeline D.; Thuijs, Annaliese E.; Christou, George; Perlepes, Spyros P.; Papatriantafyllopoulou, Constantina; Tasiopoulos, Anastasios J.","Heterometallic Mn(III)4Ln2 (Ln = Dy, Gd, Tb) Cross-Shaped Clusters and Their Homometallic Mn(III)4Mn(II)2 Analogues.","Inorganic chemistry","2017","56","10","5657","5668","10.1021/acs.inorgchem.7b00191","","","0.71073","MoKα","","0.0791","0.0694","","","0.1791","0.1927","","","","","","0.99","","","","has coordinates,has disorder","197398","2020-10-21","18:00:00",""
"4345771","8.9776","0.0018","35.496","0.007","11.535","0.002","90","","98.931","0.002","90","","3631.3","1.2","200","2","200","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C36 H56 Al N4 O1.5 -","- C36 H56 Al N4 O1.5 -","- C144 H224 Al4 N16 O6 -","4","2","","Chu, Terry; Vyboishchikov, Sergei F.; Gabidullin, Bulat M.; Nikonov, Georgii I.","Unusual Reactions of NacNacAl with Urea and Phosphine Oxides","Inorganic Chemistry","2017","","","","","10.1021/acs.inorgchem.7b00716","","","0.71073","MoKα","","0.0802","0.0517","","","0.1169","0.1316","","","","","","0.989","","","","has coordinates","253039","2020-10-21","18:00:00",""
"4345772","16.4","0.005","21.773","0.006","9.744","0.003","90","","90","","90","","3479.4","1.8","200","2","200","2","","","","","","","","6","P n m a","-P 2ac 2n","62","","","","- C35 H56 Al N2 O2 P -","- C35 H56 Al N2 O2 P -","- C140 H224 Al4 N8 O8 P4 -","4","0.5","","Chu, Terry; Vyboishchikov, Sergei F.; Gabidullin, Bulat M.; Nikonov, Georgii I.","Unusual Reactions of NacNacAl with Urea and Phosphine Oxides","Inorganic Chemistry","2017","","","","","10.1021/acs.inorgchem.7b00716","","","0.71073","MoKα","","0.0688","0.0403","","","0.0988","0.118","","","","","","1.062","","","","has coordinates","195933","2020-10-21","18:00:00",""
"4345773","10.6491","0.001","10.8501","0.001","13.8432","0.0011","96.813","0.003","96.479","0.003","91.347","0.004","1577","0.2","120","2","120","2","","","","","","","","5","P -1","-P 1","2","","","","- B12 F12 H8 Na2 O4 -","- B12 F12 H8 Na2 O4 -","- B48 F48 H32 Na8 O16 -","4","2","","Bukovsky, Eric V.; Peryshkov, Dmitry V.; Wu, Hui; Zhou, Wei; Tang, Wan Si; Jones, W. Matthew; Stavila, Vitalie; Udovic, Terrence J.; Strauss, Steven H.","Comparison of the Coordination of B12F12(2-), B12Cl12(2-), and B12H12(2-) to Na(+) in the Solid State: Crystal Structures and Thermal Behavior of Na2(B12F12), Na2(H2O)4(B12F12), Na2(B12Cl12), and Na2(H2O)6(B12Cl12).","Inorganic chemistry","2017","56","8","4369","4379","10.1021/acs.inorgchem.6b02920","","","0.71073","MoKα","","0.13","0.0664","","","0.179","0.2113","","","","","","1.037","","","","has coordinates","195956","2020-10-21","18:00:00",""
"4345774","12.5577","0.0009","12.5577","","12.5577","","90","","90","","90","","1980.3","0.14","295","","295","","","","","","","","","3","P a -3","-P 2ac 2ab 3","205","","","","- B12 Cl12 Na2 -","- B12 Cl12 Na2 -","- B48 Cl48 Na8 -","4","0.166667","","Bukovsky, Eric V.; Peryshkov, Dmitry V.; Wu, Hui; Zhou, Wei; Tang, Wan Si; Jones, W. Matthew; Stavila, Vitalie; Udovic, Terrence J.; Strauss, Steven H.","Comparison of the Coordination of B12F12(2-), B12Cl12(2-), and B12H12(2-) to Na(+) in the Solid State: Crystal Structures and Thermal Behavior of Na2(B12F12), Na2(H2O)4(B12F12), Na2(B12Cl12), and Na2(H2O)6(B12Cl12).","Inorganic chemistry","2017","56","8","4369","4379","10.1021/acs.inorgchem.6b02920","powder diffraction","neutron","1.5397","","","","","","","","","0.07905","","0.93","","","","","","","has coordinates","265253","2021-05-16","09:36:36",""
"4345775","12.4694","0.0004","12.4694","","12.4694","","90","","90","","90","","1938.82","0.06","5","","5","","","","","","","","","3","P a -3","-P 2ac 2ab 3","205","","","","- B12 Cl12 Na2 -","- B12 Cl12 Na2 -","- B48 Cl48 Na8 -","4","0.166667","","Bukovsky, Eric V.; Peryshkov, Dmitry V.; Wu, Hui; Zhou, Wei; Tang, Wan Si; Jones, W. Matthew; Stavila, Vitalie; Udovic, Terrence J.; Strauss, Steven H.","Comparison of the Coordination of B12F12(2-), B12Cl12(2-), and B12H12(2-) to Na(+) in the Solid State: Crystal Structures and Thermal Behavior of Na2(B12F12), Na2(H2O)4(B12F12), Na2(B12Cl12), and Na2(H2O)6(B12Cl12).","Inorganic chemistry","2017","56","8","4369","4379","10.1021/acs.inorgchem.6b02920","powder diffraction","neutron","1.5397","","","","","","","","","0.03309","","1.04","","","","","","","has coordinates","265253","2021-05-16","09:36:36",""
"4345776","12.517","0.003","9.635","0.003","15.316","0.004","90","","111.68","0.005","90","","1716.5","0.8","293","2","293","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C28 H45 Eu N6 O13 -","- C28 H45 Eu N6 O13 -","- C56 H90 Eu2 N12 O26 -","2","1","","Pollet, Rodolphe; Bonnet, Célia S; Retailleau, Pascal; Durand, Philippe; Tóth, Éva","Proton Exchange in a Paramagnetic Chemical Exchange Saturation Transfer Agent from Experimental Studies and ab Initio Metadynamics Simulation.","Inorganic chemistry","2017","56","8","4317","4323","10.1021/acs.inorgchem.6b02773","","","0.71073","MoKα","","0.0617","0.0392","","","0.0638","0.0715","","","","","","1.031","","","","has coordinates","195959","2020-10-21","18:00:00",""
"4345777","14.456","0.001","14.456","0.001","7.887","0.001","90","","90","","120","","1427.4","0.2","293","","293","","","","","","","","","5","P -3","-P 3","147","Prtrenovan","","","- C30 H33 N4 O6 Pr -","- C30 H33 N4 O6 Pr -","- C60 H66 N8 O12 Pr2 -","2","0.333333","","Lucaccini, Eva; Baldoví, José J; Chelazzi, Laura; Barra, Anne-Laure; Grepioni, Fabrizia; Costes, Jean-Pierre; Sorace, Lorenzo","Electronic Structure and Magnetic Anisotropy in Lanthanoid Single-Ion Magnets with C3 Symmetry: The Ln(trenovan) Series.","Inorganic chemistry","2017","56","8","4729","4739","10.1021/acs.inorgchem.7b00413","powder diffraction","","1.54175","CuKα","","","","","","","","","","1.98","","","","","","","has coordinates","195960","2020-10-21","18:00:00",""
"4345778","8.8727","0.0004","11.5463","0.0004","12.1996","0.0005","111.436","0.003","95.674","0.003","93.317","0.003","1151.68","0.09","100","2","100","2","","","","","","","","7","P -1","-P 1","2","","","","- C16 H33 F3 N O3 P3 S -","- C16 H33 F3 N O3 P3 S -","- C32 H66 F6 N2 O6 P6 S2 -","2","1","","Chitnis, Saurabh S.; Musgrave, Rebecca A.; Sparkes, Hazel A.; Pridmore, Natalie E.; Annibale, Vincent T.; Manners, Ian","Influence of Ring Strain and Bond Polarization on the Ring Expansion of Phosphorus Homocycles.","Inorganic chemistry","2017","56","8","4522","4538","10.1021/acs.inorgchem.7b00086","","","0.71073","MoKα","","0.0613","0.0395","","","0.0785","0.0855","","","","","","1.034","","","","has coordinates","195961","2020-10-21","18:00:00",""
"4345779","51.906","0.003","11.3247","0.0006","20.0014","0.0013","90","","107.47","0.003","90","","11214.9","1.2","100","2","100","2","","","","","","","","7","C 1 2/c 1","-C 2yc","15","","","","- C88 H150 F12 N4 O13 P12 S4 -","- C88 H150 F12 N4 O13 P12 S4 -","- C352 H600 F48 N16 O52 P48 S16 -","4","0.5","","Chitnis, Saurabh S.; Musgrave, Rebecca A.; Sparkes, Hazel A.; Pridmore, Natalie E.; Annibale, Vincent T.; Manners, Ian","Influence of Ring Strain and Bond Polarization on the Ring Expansion of Phosphorus Homocycles.","Inorganic chemistry","2017","56","8","4522","4538","10.1021/acs.inorgchem.7b00086","","","0.71073","MoKα","","0.095","0.0534","","","0.109","0.1272","","","","","","1.016","","","","has coordinates,has disorder","195961","2020-10-21","18:00:00",""
"4345780","11.953","0.0008","17.3078","0.0012","12.4903","0.0008","90","","94.3686","0.0012","90","","2576.5","0.3","100","2","100","2","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C18 H37 F3 N O3 P3 S -","- C18 H37 F3 N O3 P3 S -","- C72 H148 F12 N4 O12 P12 S4 -","4","1","","Chitnis, Saurabh S.; Musgrave, Rebecca A.; Sparkes, Hazel A.; Pridmore, Natalie E.; Annibale, Vincent T.; Manners, Ian","Influence of Ring Strain and Bond Polarization on the Ring Expansion of Phosphorus Homocycles.","Inorganic chemistry","2017","56","8","4522","4538","10.1021/acs.inorgchem.7b00086","","","0.71073","MoKα","","0.0312","0.026","","","0.0653","0.068","","","","","","1.025","","","","has coordinates","195961","2020-10-21","18:00:00",""
"4345781","11.535","0.001","8.2909","0.0007","31.952","0.003","90","","95.338","0.004","90","","3042.5","0.5","100","2","100","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C22 H46 F3 N O3 P4 S -","- C22 H46 F3 N O3 P4 S -","- C88 H184 F12 N4 O12 P16 S4 -","4","1","","Chitnis, Saurabh S.; Musgrave, Rebecca A.; Sparkes, Hazel A.; Pridmore, Natalie E.; Annibale, Vincent T.; Manners, Ian","Influence of Ring Strain and Bond Polarization on the Ring Expansion of Phosphorus Homocycles.","Inorganic chemistry","2017","56","8","4522","4538","10.1021/acs.inorgchem.7b00086","","","1.54178","CuKα","","0.0483","0.0427","","","0.1091","0.113","","","","","","1.059","","","","has coordinates,has disorder","195961","2020-10-21","18:00:00",""
"4345782","12.8025","0.0004","13.5213","0.0004","16.1587","0.0006","81.31","0.002","85.249","0.003","73.965","0.002","2655","0.15","100","2","100","2","","","","","","","","8","P -1","-P 1","2","","","","- C12 H19 Cl F3 N2 O3 P S -","- C12 H19 Cl F3 N2 O3 P S -","- C72 H114 Cl6 F18 N12 O18 P6 S6 -","6","3","","Chitnis, Saurabh S.; Musgrave, Rebecca A.; Sparkes, Hazel A.; Pridmore, Natalie E.; Annibale, Vincent T.; Manners, Ian","Influence of Ring Strain and Bond Polarization on the Ring Expansion of Phosphorus Homocycles.","Inorganic chemistry","2017","56","8","4522","4538","10.1021/acs.inorgchem.7b00086","","","0.71073","MoKα","","0.1599","0.0787","","","0.1872","0.2293","","","","","","1.036","","","","has coordinates,has disorder","195961","2020-10-21","18:00:00",""
"4345783","15.5602","0.0003","8.848","0.0002","18.2092","0.0004","90","","90","","90","","2506.98","0.09","293","2","293","2","","","","","","","","6","P n m a","-P 2ac 2n","62","[Fe(pytren-2pyH-1)](ClO4)2","","","- C19 H26 Cl2 Fe N6 O8 -","- C19 H26 Cl2 Fe N6 O8 -","- C76 H104 Cl8 Fe4 N24 O32 -","4","0.5","","Clares, M. Paz; Acosta-Rueda, Laura; Castillo, Carmen E.; Blasco, Salvador; Jiménez, Hermas R; García-España, Enrique; Basallote, Manuel G.","Iron(II) Complexes with Scorpiand-Like Macrocyclic Polyamines: Kinetico-Mechanistic Aspects of Complex Formation and Oxidative Dehydrogenation of Coordinated Amines.","Inorganic chemistry","2017","56","8","4400","4412","10.1021/acs.inorgchem.6b03070","","","0.71073","MoKα","","0.0967","0.0824","","","0.2639","0.2841","","","","","","1.066","","","","has coordinates","195962","2020-10-21","18:00:00",""
"4345784","38.5333","0.0008","38.5333","0.0008","38.5333","0.0008","90","","90","","90","","57215","2","80","","80","","","","","","","","","6","I m -3 m","-I 4 2 3","229","","","","- C149.83 H72 Co3 N12 O69.83 Zr12 -","- C149.832 H72 Co3 N12 O69.832 Zr12 -","- C599.328 H288 Co12 N48 O279.328 Zr48 -","4","0.0416667","","Gallagher, Audrey T.; Malliakas, Christos D.; Harris, T. David","CO Binding at a Four-Coordinate Cobaltous Porphyrin Site in a Metal-Organic Framework: Structural, EPR, and Gas Adsorption Analysis.","Inorganic chemistry","2017","56","8","4655","4662","10.1021/acs.inorgchem.7b00292","","","1.54178","CuKα","","0.1258","0.1112","","","0.3293","0.349","","","","","","1.463","","","","has coordinates","195963","2020-10-21","18:00:00",""
"4345785","8.6486","0.0003","12.8515","0.0005","11.9232","0.0005","90","","91.1061","0.0008","90","","1324.99","0.09","90","","90","","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C18 H32 Cl4 Co2 N6 O4 -","- C18 H32 Cl4 Co2 N6 O4 -","- C36 H64 Cl8 Co4 N12 O8 -","2","1","","Burns, Patrick J.; Cox, Jordan M.; Morrow, Janet R.","Imidazole-Appended Macrocyclic Complexes of Fe(II), Co(II), and Ni(II) as ParaCEST Agents.","Inorganic chemistry","2017","56","8","4546","4555","10.1021/acs.inorgchem.7b00176","","x-ray","0.71073","MoKα","K-L~3~","0.0222","0.0212","","","0.0524","0.0529","","","","","","1.03","","","","has coordinates","195964","2020-10-21","18:00:00",""
"4345786","20.3644","0.0009","13.3889","0.0006","22.213","0.0009","90","","110.909","0.0012","90","","5657.7","0.4","90","","90","","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C20 H30 F6 N6 Ni O9 S2 -","- C20 H30 F6 N6 Ni O9 S2 -","- C160 H240 F48 N48 Ni8 O72 S16 -","8","2","","Burns, Patrick J.; Cox, Jordan M.; Morrow, Janet R.","Imidazole-Appended Macrocyclic Complexes of Fe(II), Co(II), and Ni(II) as ParaCEST Agents.","Inorganic chemistry","2017","56","8","4546","4555","10.1021/acs.inorgchem.7b00176","","x-ray","0.71073","MoKα","","0.0673","0.0415","","","0.0851","0.0942","","","","","","1.05","","","","has coordinates","195965","2020-10-21","18:00:00",""
"4345787","13.9744","0.0006","16.6813","0.0006","16.9109","0.0008","90","","110.518","0.002","90","","3692","0.3","100","2","100","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","WTL-44","","","- C42 H44 B Fe N7 -","- C42 H44 B Fe N7 -","- C168 H176 B4 Fe4 N28 -","4","1","","Bucinsky, Lukas; Breza, Martin; Lee, Wei-Tsung; Hickey, Anne K.; Dickie, Diane A.; Nieto, Ismael; DeGayner, Jordan A.; Harris, T. David; Meyer, Karsten; Krzystek, J.; Ozarowski, Andrew; Nehrkorn, Joscha; Schnegg, Alexander; Holldack, Karsten; Herber, Rolfe H.; Telser, Joshua; Smith, Jeremy M.","Spectroscopic and Computational Studies of Spin States of Iron(IV) Nitrido and Imido Complexes.","Inorganic chemistry","2017","56","8","4752","4769","10.1021/acs.inorgchem.7b00512","","","0.71073","MoKα","","0.0912","0.0469","","","0.0912","0.1069","","","","","","1.013","","","","has coordinates","195966","2020-10-21","18:00:00",""
"4345788","11.9129","0.0015","4.9605","0.0005","5.5","0.0006","90","","103.897","0.007","90","","315.5","0.06","293","","293","","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- F2 Fe O2 Sb -","- F2 Fe O2 Sb -","- F8 Fe4 O8 Sb4 -","4","0.5","","Ali, Sk Imran; Kremer, Reinhard K.; Johnsson, Mats","Hydrothermal Synthesis of the Oxofluoride FeSbO2F2-An Anti-ferromagnetic Spin S = 5/2 Compound.","Inorganic chemistry","2017","56","8","4663","4668","10.1021/acs.inorgchem.7b00301","","x-ray","0.71069","MoKα","","0.0508","0.043","","","0.0702","0.072","","","","1.73","1.73","1.65","","","","has coordinates","195967","2020-10-21","18:00:00",""
"4345789","17.279","0.011","8.338","0.006","18.746","0.012","90","","110.139","0.009","90","","2536","3","100","2","100","2","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","","","- C36 H24 As2 -","- C36 H24 As2 -","- C144 H96 As8 -","4","1","","Gupta, Arvind Kumar; Akkarasamiyo, Sunisa; Orthaber, Andreas","Rich Coordination Chemistry of π-Acceptor Dibenzoarsole Ligands.","Inorganic chemistry","2017","56","8","4505","4512","10.1021/acs.inorgchem.7b00100","","","0.71073","MoKα","","0.1469","0.0677","","","0.1507","0.1984","","","","","","1.002","","","","has coordinates","195968","2020-10-21","18:00:00",""
"4345790","14.26","0.03","10.488","0.019","20.49","0.04","90","","104.93","0.03","90","","2961","10","100","2","100","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C36 H24 As2 Cl2 Pd -","- C36 H24 As2 Cl2 Pd -","- C144 H96 As8 Cl8 Pd4 -","4","0.5","","Gupta, Arvind Kumar; Akkarasamiyo, Sunisa; Orthaber, Andreas","Rich Coordination Chemistry of π-Acceptor Dibenzoarsole Ligands.","Inorganic chemistry","2017","56","8","4505","4512","10.1021/acs.inorgchem.7b00100","","","0.71073","MoKα","","0.2344","0.1662","","","0.3866","0.4322","","","","","","1.231","","","","has coordinates","195969","2020-10-21","18:00:00",""
"4345791","9.6433","0.0003","14.8474","0.0004","10.5173","0.0003","90","","108.047","0.001","90","","1431.76","0.07","100","2","100","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C32 H34 As2 Cl2 Pd -","- C32 H34 As2 Cl2 Pd -","- C64 H68 As4 Cl4 Pd2 -","2","0.5","","Gupta, Arvind Kumar; Akkarasamiyo, Sunisa; Orthaber, Andreas","Rich Coordination Chemistry of π-Acceptor Dibenzoarsole Ligands.","Inorganic chemistry","2017","56","8","4505","4512","10.1021/acs.inorgchem.7b00100","","","0.71073","MoKα","","0.0206","0.0186","","","0.0448","0.0455","","","","","","1.053","","","","has coordinates","195970","2020-10-21","18:00:00",""
"4345792","34.074","0.005","34.074","0.005","7.4287","0.0016","90","","90","","120","","7469","2","100","2","100","2","","","","","","","","5","R -3 :H","-R 3","148","","","","- C32 H34 As2 Cl4 Pd2 -","- C32 H34 As2 Cl4 Pd2 -","- C288 H306 As18 Cl36 Pd18 -","9","0.5","","Gupta, Arvind Kumar; Akkarasamiyo, Sunisa; Orthaber, Andreas","Rich Coordination Chemistry of π-Acceptor Dibenzoarsole Ligands.","Inorganic chemistry","2017","56","8","4505","4512","10.1021/acs.inorgchem.7b00100","","","0.71073","MoKα","","0.151","0.0792","","","0.1833","0.2609","","","","","","1.082","","","","has coordinates","195971","2020-10-21","18:00:00",""
"4345793","24.3221","0.001","24.3221","0.001","36.4934","0.0016","90","","90","","120","","18695.9","1.4","100","","100","","","","","","","","","7","R -3","-R 3","148","","","","- C45 H37 B Cu N6 P S3 -","- C45 H37 B Cu N6 P S3 -","- C810 H666 B18 Cu18 N108 P18 S54 -","18","","","Lam, Tsz Lung; Tso, Ken Chi-Hang; Cao, Bei; Yang, Chen; Chen, Daqing; Chang, Xiao-Yong; Huang, Jie-Sheng; Che, Chi-Ming","Tripodal S-Ligand Complexes of Copper(I) as Catalysts for Alkene Aziridination, Sulfide Sulfimidation, and C-H Amination.","Inorganic chemistry","2017","56","8","4253","4257","10.1021/acs.inorgchem.7b00226","","","1.54178","CuKα","","0.1138","0.0991","","","0.2925","0.3136","","","","","","1.118","","","","has coordinates,has disorder","195972","2020-10-21","18:00:00",""
"4345794","14.7346","0.0003","14.7346","0.0003","12.1853","0.0003","90","","90","","120","","2291.1","0.09","100","","100","","","","","","","","","7","P -3","-P 3","147","","","","- C45 H55 B Cu N6 P S3 -","- C45 H55 B Cu N6 P S3 -","- C90 H110 B2 Cu2 N12 P2 S6 -","2","0.333333","","Lam, Tsz Lung; Tso, Ken Chi-Hang; Cao, Bei; Yang, Chen; Chen, Daqing; Chang, Xiao-Yong; Huang, Jie-Sheng; Che, Chi-Ming","Tripodal S-Ligand Complexes of Copper(I) as Catalysts for Alkene Aziridination, Sulfide Sulfimidation, and C-H Amination.","Inorganic chemistry","2017","56","8","4253","4257","10.1021/acs.inorgchem.7b00226","","x-ray","1.54178","CuKα","","0.1041","0.0948","","","0.2604","0.2678","","","","","","1.057","","","","has coordinates,has disorder","195972","2020-10-21","18:00:00",""
"4345795","9.3602","0.0006","20.5287","0.0012","22.331","0.0014","74.905","0.004","85.876","0.005","89.894","0.005","4131.5","0.4","100","","100","","","","","","","","","7","P -1","-P 1","2","","","","- C45 H37 Au B N6 P S3 -","- C45 H37 Au B N6 P S3 -","- C180 H148 Au4 B4 N24 P4 S12 -","4","2","","Lam, Tsz Lung; Tso, Ken Chi-Hang; Cao, Bei; Yang, Chen; Chen, Daqing; Chang, Xiao-Yong; Huang, Jie-Sheng; Che, Chi-Ming","Tripodal S-Ligand Complexes of Copper(I) as Catalysts for Alkene Aziridination, Sulfide Sulfimidation, and C-H Amination.","Inorganic chemistry","2017","56","8","4253","4257","10.1021/acs.inorgchem.7b00226","","x-ray","1.54178","CuKα","","0.1694","0.1301","","","0.3116","0.3305","","","","","","1.198","","","","has coordinates","195972","2020-10-21","18:00:00",""
"4345796","9.411","0.003","13.294","0.003","16.113","0.005","112.18","0.02","97.06","0.03","96.59","0.03","1823.9","1","200","","200","","","","","","","","","6","P -1","-P 1","2","","","","- C81.4 H73.1 B2 F8 N8.7 O0.5 -","- C81.4 H73.1 B2 F8 N8.7 O0.5 -","- C81.4 H73.1 B2 F8 N8.7 O0.5 -","1","0.5","","Jacquet, Margot; Lafolet, Frédéric; Cobo, Saioa; Loiseau, Frédérique; Bakkar, Assil; Boggio-Pasqua, Martial; Saint-Aman, Eric; Royal, Guy","Efficient Photoswitch System Combining a Dimethyldihydropyrene Pyridinium Core and Ruthenium(II) Bis-Terpyridine Entities.","Inorganic chemistry","2017","56","8","4357","4368","10.1021/acs.inorgchem.6b02861","","x-ray","0.71073","MoKα","","0.1233","0.0927","","","0.2534","0.2861","","","","","","1.065","","","","has coordinates,has disorder","195973","2020-10-21","18:00:00",""
"4345797","19.1289","0.0013","21.8101","0.0015","7.647","0.0003","90","","97.172","0.006","90","","3165.4","0.3","150","2","150","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C24 H16 N2 O6 Pb -","- C24 H16 N2 O6 Pb -","- C96 H64 N8 O24 Pb4 -","4","0.5","","Hu, Lei; Lin, Xiao-Ming; Mo, Jun-Ting; Lin, Jia; Gan, Han-Lin; Yang, Xiao-Ling; Cai, Yue-Peng","Lead-Based Metal-Organic Framework with Stable Lithium Anodic Performance.","Inorganic chemistry","2017","56","8","4289","4295","10.1021/acs.inorgchem.6b02663","","","0.71073","MoKα","","0.0296","0.0268","","","0.0587","0.0605","","","","","","1.032","","","","has coordinates","195974","2020-10-21","18:00:00",""
"4345798","7.882","0.0003","14.4897","0.0005","19.0979","0.0006","90","","94.094","0.002","90","","2175.56","0.13","100","0.1","100","0.1","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C20 H15 F3 N3 O7 Re S -","- C20 H15 F3 N3 O7 Re S -","- C80 H60 F12 N12 O28 Re4 S4 -","4","1","","Arévalo, Rebeca; Riera, Lucía; Pérez, Julio","Interligand C-C Coupling between α-Methyl N-Heterocycles and bipy or phen at Rhenium Tricarbonyl Complexes.","Inorganic chemistry","2017","56","8","4249","4252","10.1021/acs.inorgchem.7b00078","","","0.71073","MoKα","","0.0215","0.0168","","","0.0352","0.0363","","","","","","1.035","","","","has coordinates","195976","2020-10-21","18:00:00",""
"4345799","8.1541","0.0003","13.9315","0.0005","31.2495","0.0009","90","","96.044","0.002","90","","3530.2","0.2","100","0.1","100","0.2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C19 H14 N3 O4 Re -","- C19 H14 N3 O4 Re -","- C152 H112 N24 O32 Re8 -","8","2","","Arévalo, Rebeca; Riera, Lucía; Pérez, Julio","Interligand C-C Coupling between α-Methyl N-Heterocycles and bipy or phen at Rhenium Tricarbonyl Complexes.","Inorganic chemistry","2017","56","8","4249","4252","10.1021/acs.inorgchem.7b00078","","","0.71073","MoKα","","0.0482","0.0299","","","0.0484","0.0525","","","","","","1.031","","","","has coordinates","195976","2020-10-21","18:00:00",""
"4345800","7.7297","0.0003","8.897","0.0004","14.9606","0.0007","73.272","0.003","81.506","0.003","64.317","0.002","887.66","0.07","100","0.1","100","0.2","","","","","","","","5","P -1","-P 1","2","","","","- C21 H14 N3 O3 Re -","- C21 H14 N3 O3 Re -","- C42 H28 N6 O6 Re2 -","2","1","","Arévalo, Rebeca; Riera, Lucía; Pérez, Julio","Interligand C-C Coupling between α-Methyl N-Heterocycles and bipy or phen at Rhenium Tricarbonyl Complexes.","Inorganic chemistry","2017","56","8","4249","4252","10.1021/acs.inorgchem.7b00078","","","0.71073","MoKα","","0.051","0.0485","","","0.13","0.1314","","","","","","1.308","","","","has coordinates","195976","2020-10-21","18:00:00",""
"4345801","10.5338","0.0001","14.2032","0.0002","15.2605","0.0002","90","","90","","90","","2283.18","0.05","130","0.1","130","0.1","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C25 H23 N4 O3 Re -","- C25 H23 N4 O3 Re -","- C100 H92 N16 O12 Re4 -","4","1","","Arévalo, Rebeca; Riera, Lucía; Pérez, Julio","Interligand C-C Coupling between α-Methyl N-Heterocycles and bipy or phen at Rhenium Tricarbonyl Complexes.","Inorganic chemistry","2017","56","8","4249","4252","10.1021/acs.inorgchem.7b00078","","","1.54184","CuKα","","0.0246","0.0237","","","0.0584","0.0588","","","","","","1.25","","","","has coordinates,has disorder","195976","2020-10-21","18:00:00",""
"4345802","9.451","0.0005","20.0108","0.0007","20.4706","0.0006","118.027","0.004","91.181","0.004","103.093","0.004","3292","0.3","223","2","223","2","","","","","","","","6","P -1","-P 1","2","","","","- C72 H54 N6 O14 S3 Zn2 -","- C72 H54 N6 O14 S3 Zn2 -","- C144 H108 N12 O28 S6 Zn4 -","2","1","","Gu, Tian-Yi; Dai, Ming; Young, David James; Ren, Zhi-Gang; Lang, Jian-Ping","Luminescent Zn(II) Coordination Polymers for Highly Selective Sensing of Cr(III) and Cr(VI) in Water.","Inorganic chemistry","2017","56","8","4669","4679","10.1021/acs.inorgchem.7b00311","","","0.71073","MoKα","","0.088","0.0728","","","0.1972","0.2099","","","","","","1.057","","","","has coordinates","195977","2020-10-21","18:00:00",""
"4345803","29.287","0.003","16.6983","0.0014","16.7466","0.0015","90","","101.511","0.01","90","","8025.1","1.3","298","2","298","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C90 H62 N6 O12 Zn2 -","- C90 H60 N6 O12 Zn2 -","- C360 H240 N24 O48 Zn8 -","4","0.5","","Gu, Tian-Yi; Dai, Ming; Young, David James; Ren, Zhi-Gang; Lang, Jian-Ping","Luminescent Zn(II) Coordination Polymers for Highly Selective Sensing of Cr(III) and Cr(VI) in Water.","Inorganic chemistry","2017","56","8","4669","4679","10.1021/acs.inorgchem.7b00311","","","0.71073","MoKα","","0.1512","0.0976","","","0.2732","0.3172","","","","","","1.041","","","","has coordinates,has disorder","195977","2020-10-21","18:00:00",""
"4345804","11.78","0.006","11.799","0.005","24.11","0.011","102.896","0.011","99.104","0.012","102.543","0.012","3112","3","298","2","298","2","","","","","","","","5","P -1","-P 1","2","","","","- C78 H56 N6 O9 Zn2 -","- C78 H56 N6 O9 Zn2 -","- C156 H112 N12 O18 Zn4 -","2","1","","Gu, Tian-Yi; Dai, Ming; Young, David James; Ren, Zhi-Gang; Lang, Jian-Ping","Luminescent Zn(II) Coordination Polymers for Highly Selective Sensing of Cr(III) and Cr(VI) in Water.","Inorganic chemistry","2017","56","8","4669","4679","10.1021/acs.inorgchem.7b00311","","","0.71073","MoKα","","0.1551","0.1141","","","0.2936","0.3261","","","","","","1.18","","","","has coordinates","195977","2020-10-21","18:00:00",""
"4345805","19.6199","","19.6199","","15.9273","","90","","90","","90","","6131.06","","293","","293","","","","","","","","","6","P 42 b c","P 4c -2ab","106","","","","- C22 H24 Cu4 I4 N4 O0.5 -","- C22 H23 Cu4 I4 N4 O0.5 -","- C176 H184 Cu32 I32 N32 O4 -","8","1","","Kirakci, Kaplan; Fejfarová, Karla; Martinčík, Jiří; Nikl, Martin; Lang, Kamil","Tetranuclear Copper(I) Iodide Complexes: A New Class of X-ray Phosphors.","Inorganic chemistry","2017","56","8","4610","4615","10.1021/acs.inorgchem.7b00240","","x-ray","0.71073","MoKα","","0.0534","0.0278","","","0.026","0.0284","","","","1.29","1.29","1.22","","","","has coordinates","195978","2020-10-21","18:00:00",""
"4345806","17.1184","0.0008","17.1184","0.0008","42.734","0.002","90","","90","","120","","10845","0.9","296","2","296","2","","","","","","","","6","P 63/m m c","-P 6c 2c","194","","","","- C45 H53.5 Cu7 Mn4 N5 O30 -","- C45.0002 H62.0004 Cu7 Mn4 N5 O30 -","- C180.001 H248.002 Cu28 Mn16 N20 O120 -","4","0.166667","","Lin, Li-Dan; Li, Xin-Xiong; Qi, Yan-Jie; Ma, Xiang; Zheng, Shou-Tian","Cluster Organic Frameworks Constructed from Heterometallic Supertetrahedral Cluster Secondary Building Units.","Inorganic chemistry","2017","56","8","4636","4643","10.1021/acs.inorgchem.7b00267","","","0.71073","MoKα","","0.1168","0.0959","","","0.2778","0.2921","","","","","","1.026","","","","has coordinates","195979","2020-10-21","18:00:00",""
"4345807","26.343","0.003","27.158","0.004","27.158","","90","","90","","90","","19429","4","296","2","296","2","","","","","","","","6","P b c a","-P 2ac 2ab","61","","","","- C50 H61 Cd4 Cu6 N4 O30 -","- C50 H61 Cd4 Cu6 N4 O30 -","- C400 H488 Cd32 Cu48 N32 O240 -","8","1","","Lin, Li-Dan; Li, Xin-Xiong; Qi, Yan-Jie; Ma, Xiang; Zheng, Shou-Tian","Cluster Organic Frameworks Constructed from Heterometallic Supertetrahedral Cluster Secondary Building Units.","Inorganic chemistry","2017","56","8","4636","4643","10.1021/acs.inorgchem.7b00267","","","0.71073","MoKα","","0.1128","0.0651","","","0.153","0.165","","","","","","1.024","","","","has coordinates","195980","2020-10-21","18:00:00",""
"4345808","9.5604","0.0006","13.9067","0.0007","14.9267","0.001","97.491","0.005","104.148","0.006","96.127","0.005","1888","0.2","173","","173","","","","","","","","","5","P -1","-P 1","2","","","","- C40 H32 Cl4 Cu2 N12 -","- C40 H32 Cl4 Cu2 N12 -","- C80 H64 Cl8 Cu4 N24 -","2","1","","Loukopoulos, Edward; Kallitsakis, Michael; Tsoureas, Nikolaos; Abdul-Sada, Alaa; Chilton, Nicholas F.; Lykakis, Ioannis N.; Kostakis, George E.","Cu(II) Coordination Polymers as Vehicles in the A(3) Coupling.","Inorganic chemistry","2017","56","9","4898","4910","10.1021/acs.inorgchem.6b03084","","x-ray","1.54184","CuKα","","0.1034","0.0665","","","0.1603","0.1878","","","","","","1.002","","","","has coordinates","195981","2020-10-21","18:00:00",""
"4345809","10.2604","0.0008","10.5576","0.0008","11.3368","0.0008","101.609","0.006","104.227","0.007","91.061","0.007","1163.05","0.16","173","","173","","","","","","","","","5","P -1","-P 1","2","","","","- C40 H32 Cl10 Cu5 N12 -","- C40 H32 Cl10 Cu5 N12 -","- C40 H32 Cl10 Cu5 N12 -","1","0.5","","Loukopoulos, Edward; Kallitsakis, Michael; Tsoureas, Nikolaos; Abdul-Sada, Alaa; Chilton, Nicholas F.; Lykakis, Ioannis N.; Kostakis, George E.","Cu(II) Coordination Polymers as Vehicles in the A(3) Coupling.","Inorganic chemistry","2017","56","9","4898","4910","10.1021/acs.inorgchem.6b03084","","x-ray","1.54184","CuKα","","0.05","0.0379","","","0.0944","0.104","","","","","","1.005","","","","has coordinates","195981","2020-10-21","18:00:00",""
"4345810","32.215","0.002","13.4835","0.001","25.8172","0.0018","90","","122.782","0.003","90","","9428.2","1.2","100","2","100","","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C88 H76 Br8 Cu4 N28 -","- C88 H76 Br8 Cu4 N28 -","- C352 H304 Br32 Cu16 N112 -","4","0.5","","Loukopoulos, Edward; Kallitsakis, Michael; Tsoureas, Nikolaos; Abdul-Sada, Alaa; Chilton, Nicholas F.; Lykakis, Ioannis N.; Kostakis, George E.","Cu(II) Coordination Polymers as Vehicles in the A(3) Coupling.","Inorganic chemistry","2017","56","9","4898","4910","10.1021/acs.inorgchem.6b03084","","","0.71075","MoKα","","0.2346","0.1409","","","0.3466","0.3856","","","","","","1.053","","","","has coordinates","195981","2020-10-21","18:00:00",""
"4345811","8.9788","0.0002","11.4531","0.0003","12.1017","0.0004","105.004","0.003","101.295","0.003","101.078","0.002","1139.37","0.06","100","2","100","2","","","","","","","","6","P -1","-P 1","2","","","","- C44 H38 B2 Cu F8 N14 -","- C44 H38 B2 Cu F8 N14 -","- C44 H38 B2 Cu F8 N14 -","1","0.5","","Loukopoulos, Edward; Kallitsakis, Michael; Tsoureas, Nikolaos; Abdul-Sada, Alaa; Chilton, Nicholas F.; Lykakis, Ioannis N.; Kostakis, George E.","Cu(II) Coordination Polymers as Vehicles in the A(3) Coupling.","Inorganic chemistry","2017","56","9","4898","4910","10.1021/acs.inorgchem.6b03084","","x-ray","0.71075","MoKα","K-L~3~","0.0391","0.0335","","","0.0867","0.0892","","","","","","1.047","","","","has coordinates","195981","2020-10-21","18:00:00",""
"4345812","9.0095","0.0003","11.149","0.0004","12.0186","0.0006","115.336","0.005","104.428","0.004","93.558","0.003","1036.89","0.09","100","2","100","2","","","","","","","","7","P -1","-P 1","2","","","","- C42 H32 Cu F6 N12 O6 S2 -","- C42 H32 Cu F6 N12 O6 S2 -","- C42 H32 Cu F6 N12 O6 S2 -","1","0.5","","Loukopoulos, Edward; Kallitsakis, Michael; Tsoureas, Nikolaos; Abdul-Sada, Alaa; Chilton, Nicholas F.; Lykakis, Ioannis N.; Kostakis, George E.","Cu(II) Coordination Polymers as Vehicles in the A(3) Coupling.","Inorganic chemistry","2017","56","9","4898","4910","10.1021/acs.inorgchem.6b03084","","x-ray","0.71075","MoKα","K-L~3~","0.0733","0.0465","","","0.1055","0.1153","","","","","","1.028","","","","has coordinates","195981","2020-10-21","18:00:00",""
"4345813","9.1257","0.0004","11.8008","0.0006","13.0936","0.0007","108.539","0.005","95.03","0.004","101.159","0.004","1294.63","0.12","173","","173","","","","","","","","","4","P -1","-P 1","2","","","","- C44 H38 N14 Zn -","- C44 H38 N14 Zn -","- C44 H38 N14 Zn -","1","0.5","","Loukopoulos, Edward; Kallitsakis, Michael; Tsoureas, Nikolaos; Abdul-Sada, Alaa; Chilton, Nicholas F.; Lykakis, Ioannis N.; Kostakis, George E.","Cu(II) Coordination Polymers as Vehicles in the A(3) Coupling.","Inorganic chemistry","2017","56","9","4898","4910","10.1021/acs.inorgchem.6b03084","","x-ray","1.54184","CuKα","","0.0859","0.0798","","","0.2063","0.2093","","","","","","1.101","","","","has coordinates","195981","2020-10-21","18:00:00",""
"4345814","21.7957","0.0011","22.4426","0.001","27.7251","0.0019","90","","110.418","0.006","90","","12709.7","1.3","100","2","100.15","","","","","","","","","7","C 1 2/c 1","-C 2yc","15","","","","- C104 H108 Cu2 F12 N24 O18 S4 -","- C104 H108 Cu2 F12 N24 O18 S4 -","- C416 H432 Cu8 F48 N96 O72 S16 -","4","0.5","","Loukopoulos, Edward; Kallitsakis, Michael; Tsoureas, Nikolaos; Abdul-Sada, Alaa; Chilton, Nicholas F.; Lykakis, Ioannis N.; Kostakis, George E.","Cu(II) Coordination Polymers as Vehicles in the A(3) Coupling.","Inorganic chemistry","2017","56","9","4898","4910","10.1021/acs.inorgchem.6b03084","","","0.71075","MoKα","","0.1926","0.0986","","","0.2552","0.3142","","","","","","0.973","","","","has coordinates","195981","2020-10-21","18:00:00",""
"4345815","13.53491","0.00008","13.53491","0.00008","14.93849","0.00016","90","","90","","90","","2736.64","0.04","293","2","293","2","","","","","","","","5","P 42 b c","P 4c -2ab","106","","barium lithium fluoride borate","","- B7 Ba12 F4 Li O21 -","- B7 Ba12 F4 Li O21 -","- B28 Ba48 F16 Li4 O84 -","4","0.5","","Bekker, Tatyana B.; Rashchenko, Sergey V.; Solntsev, Vladimir P.; Yelisseyev, Alexander P.; Kragzhda, Alexander A.; Bakakin, Vladimir V.; Seryotkin, Yuriy V.; Kokh, Alexander E.; Kokh, Konstantin A.; Kuznetsov, Artem B.","Growth and Optical Properties of LixNa1-xBa12(BO3)7F4 Fluoride Borates with ""Antizeolite"" Structure.","Inorganic chemistry","2017","56","9","5411","5419","10.1021/acs.inorgchem.7b00520","","","0.71073","MoKα","","0.0308","0.03","","","0.0624","0.0629","","","","","","1.222","","","","has coordinates","195982","2020-10-21","18:00:00",""
"4345816","13.59612","0.00013","13.59612","0.00013","14.9394","0.0003","90","","90","","90","","2761.62","0.07","293","2","293","2","","","","","","","","5","P 42 b c","P 4c -2ab","106","","barium sodium fluoride borate","","- B7 Ba12 F4 Na O21 -","- B7 Ba12 F4 Na O21 -","- B28 Ba48 F16 Na4 O84 -","4","0.5","","Bekker, Tatyana B.; Rashchenko, Sergey V.; Solntsev, Vladimir P.; Yelisseyev, Alexander P.; Kragzhda, Alexander A.; Bakakin, Vladimir V.; Seryotkin, Yuriy V.; Kokh, Alexander E.; Kokh, Konstantin A.; Kuznetsov, Artem B.","Growth and Optical Properties of LixNa1-xBa12(BO3)7F4 Fluoride Borates with ""Antizeolite"" Structure.","Inorganic chemistry","2017","56","9","5411","5419","10.1021/acs.inorgchem.7b00520","","","0.71073","MoKα","","0.0702","0.0669","","","0.1305","0.1329","","","","","","1.222","","","","has coordinates","195983","2020-10-21","18:00:00",""
"4345817","10.2509","0.0008","17.3887","0.0011","22.622","0.002","90","","101.053","0.007","90","","3957.6","0.5","150","2","150","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C47 H103 Fe4 Ho2 N25 O22 -","- C47 H101 Fe4 Ho2 N25 O22 -","- C94 H202 Fe8 Ho4 N50 O44 -","2","0.5","","Schmidt, Sebastian F. M.; Koo, Changhyun; Mereacre, Valeriu; Park, Jaena; Heermann, Dieter W.; Kataev, Vladislav; Anson, Christopher E.; Prodius, Denis; Novitchi, Ghenadie; Klingeler, Rüdiger; Powell, Annie K.","A Three-Pronged Attack To Investigate the Electronic Structure of a Family of Ferromagnetic Fe4Ln2 Cyclic Coordination Clusters: A Combined Magnetic Susceptibility, High-Field/High-Frequency Electron Paramagnetic Resonance, and (57)Fe Mössbauer Study.","Inorganic chemistry","2017","56","9","4796","4806","10.1021/acs.inorgchem.6b02682","","","0.71073","MoKα","","0.0909","0.0703","","","0.174","0.1854","","","","","","0.954","","","","has coordinates,has disorder","195984","2020-10-21","18:00:00",""
"4345818","17.8022","0.0014","15.3356","0.0009","21.883","0.003","90","","121.384","0.007","90","","5100.2","0.9","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C44 H55 Cu2 N13 O10 -","- C44 H55 Cu2 N13 O10 -","- C176 H220 Cu8 N52 O40 -","4","1","","Deka, Hemanta; Ghosh, Somnath; Gogoi, Kuldeep; Saha, Soumen; Mondal, Biplab","Nitric Oxide Reactivity of a Cu(II) Complex of an Imidazole-Based Ligand: Aromatic C-Nitrosation Followed by the Formation of N-Nitrosohydroxylaminato Complex.","Inorganic chemistry","2017","56","9","5034","5040","10.1021/acs.inorgchem.7b00069","","","0.71073","MoKα","","0.1591","0.0769","","","0.1722","0.2301","","","","","","0.943","","","","has coordinates","195985","2020-10-21","18:00:00",""
"4345819","8.4863","0.0008","10.9805","0.001","12.8436","0.0012","65.122","0.009","76.964","0.008","78.346","0.007","1049.98","0.19","150","2","150","2","","","","","","","","5","P -1","-P 1","2","","","","- C38 H52 Cu N10 O8 -","- C38 H52 Cu N10 O8 -","- C38 H52 Cu N10 O8 -","1","0.5","","Deka, Hemanta; Ghosh, Somnath; Gogoi, Kuldeep; Saha, Soumen; Mondal, Biplab","Nitric Oxide Reactivity of a Cu(II) Complex of an Imidazole-Based Ligand: Aromatic C-Nitrosation Followed by the Formation of N-Nitrosohydroxylaminato Complex.","Inorganic chemistry","2017","56","9","5034","5040","10.1021/acs.inorgchem.7b00069","","","0.71073","MoKα","","0.0619","0.0497","","","0.1548","0.1653","","","","","","1.071","","","","has coordinates","195986","2020-10-21","18:00:00",""
"4345820","9.7352","0.0002","9.7331","0.0003","27.4616","0.0008","90","","97.735","0.003","90","","2578.41","0.12","293","2","293","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C27.73 H20 B Cl0.27 Hg N3.73 P -","- C27.73 H20 B Cl0.27 Hg N3.73 P -","- C110.92 H80 B4 Cl1.08 Hg4 N14.92 P4 -","4","1","","Bernhardt, Eduard; Bernhardt-Pitchougina, Vera; Jenne, Carsten","Reaction of the Tricyanoborate Dianion [B(CN)3](2-) with HgCl2.","Inorganic chemistry","2017","56","9","5465","5470","10.1021/acs.inorgchem.7b00541","","","0.71073","MoKα","","0.0496","0.0314","","","0.0541","0.059","","","","","","1.048","","","","has coordinates","195987","2020-10-21","18:00:00",""
"4345821","9.3547","0.0003","10.105","0.0003","13.1185","0.0004","101.528","0.003","98.062","0.002","95.253","0.002","1193.88","0.07","150","2","150","2","","","","","","","","6","P -1","-P 1","2","","","","- C54 H40 B2 Hg N6 P2 -","- C54 H40 B2 Hg N6 P2 -","- C54 H40 B2 Hg N6 P2 -","1","0.5","","Bernhardt, Eduard; Bernhardt-Pitchougina, Vera; Jenne, Carsten","Reaction of the Tricyanoborate Dianion [B(CN)3](2-) with HgCl2.","Inorganic chemistry","2017","56","9","5465","5470","10.1021/acs.inorgchem.7b00541","","","0.71073","MoKα","","0.0549","0.0475","","","0.1088","0.1148","","","","","","1.069","","","","has coordinates","195988","2020-10-21","18:00:00",""
"4345822","40.2229","0.0016","12.7409","0.0005","19.5968","0.0008","90","","112.856","0.001","90","","9254.4","0.6","150","2","150","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- H66 K8 Na4 O105 W22 -","- K7.8 Na4 O99.8 W22 -","- K31.2 Na16 O399.2 W88 -","4","0.5","","Ruiz de la Oliva, Andreu; Sans, Victor; Miras, Haralampos N.; Long, De-Liang; Cronin, Leroy","Coding the Assembly of Polyoxotungstates with a Programmable Reaction System.","Inorganic chemistry","2017","56","9","5089","5095","10.1021/acs.inorgchem.7b00206","","","0.71073","MoKα","","0.0695","0.0575","","","0.1583","0.1739","","","","","","1.074","","","","has coordinates","195990","2020-10-21","18:00:00",""
"4345823","10.69","0.003","16.365","0.004","18.851","0.005","90","","90","","90","","3297.8","1.5","150","","150","","","","","","","","","8","P 21 21 21","P 2ac 2ab","19","","","","- C35 H39 B Cu F4 N2 O P -","- C35 H39 B Cu F4 N2 O P -","- C140 H156 B4 Cu4 F16 N8 O4 P4 -","4","1","","Hasegawa, Tatsuya; Kobayashi, Atsushi; Ohara, Hiroki; Yoshida, Masaki; Kato, Masako","Emission Tuning of Luminescent Copper(I) Complexes by Vapor-Induced Ligand Exchange Reactions.","Inorganic chemistry","2017","56","9","4928","4936","10.1021/acs.inorgchem.6b03122","","","0.71075","MoKα","","0.0815","0.0618","","","0.1631","0.1806","","","","","","1.04","","","","has coordinates","195991","2020-10-21","18:00:00",""
"4345824","25.123","0.0019","60.748","0.005","9.0059","0.0006","90","","90","","90","","13744.6","1.8","150","","150","","","","","","","","","7","F d d 2","F 2 -2d","43","","","","- C37 H38 B Cu F4 N3 P -","- C37 H38 B Cu F4 N3 P -","- C592 H608 B16 Cu16 F64 N48 P16 -","16","1","","Hasegawa, Tatsuya; Kobayashi, Atsushi; Ohara, Hiroki; Yoshida, Masaki; Kato, Masako","Emission Tuning of Luminescent Copper(I) Complexes by Vapor-Induced Ligand Exchange Reactions.","Inorganic chemistry","2017","56","9","4928","4936","10.1021/acs.inorgchem.6b03122","","","0.71075","MoKα","","0.0812","0.0515","","","0.0896","0.1007","","","","","","1.015","","","","has coordinates","195991","2020-10-21","18:00:00",""
"4345825","8.5551","0.0002","9.6743","0.0002","17.6421","0.0006","87.003","0.002","76.564","0.002","89.5481","0.0019","1418.22","0.07","110","2","110","2","","","","","","","","7","P 1","P 1","1","","","","- C27 H30 F6 N5 O3 P Ru -","- C27 H30 F6 N5 O3 P Ru -","- C54 H60 F12 N10 O6 P2 Ru2 -","2","2","","Cuello-Garibo, Jordi-Amat; Pérez-Gallent, Elena; van der Boon, Lennard; Siegler, Maxime A.; Bonnet, Sylvestre","Influence of the Steric Bulk and Solvent on the Photoreactivity of Ruthenium Polypyridyl Complexes Coordinated to l-Proline.","Inorganic chemistry","2017","56","9","4818","4828","10.1021/acs.inorgchem.6b02794","","","0.71073","MoKα","","0.0308","0.0282","","","0.0639","0.0654","","","","","","1.029","","","","has coordinates,has disorder","195992","2020-10-21","18:00:00",""
"4345826","15.402","0.0002","16.4903","0.0003","17.4052","0.0002","77.8038","0.0013","67.3584","0.0013","70.8933","0.0014","3836.72","0.11","100","2","100","2","","","","","","","","7","P -1","-P 1","2","","","","- C38.5 H34 Cl3 F6 N3 P2 Pt -","- C38.5 H34 Cl3 F6 N3 P2 Pt -","- C154 H136 Cl12 F24 N12 P8 Pt4 -","4","2","","Fuertes, Sara; Chueca, Andrés J; Arnal, Lorenzo; Martín, Antonio; Giovanella, Umberto; Botta, Chiara; Sicilia, Violeta","Heteroleptic Cycloplatinated N-Heterocyclic Carbene Complexes: A New Approach to Highly Efficient Blue-Light Emitters.","Inorganic chemistry","2017","56","9","4829","4839","10.1021/acs.inorgchem.6b02826","","","0.71073","MoKα","","0.0395","0.0309","","","0.0727","0.0771","","","","","","1.015","","","","has coordinates","195993","2020-10-21","18:00:00",""
"4345827","14.4423","0.0002","16.2666","0.0002","16.517","0.0003","90","","100.12","0.0016","90","","3819.92","0.1","100","2","100","2","","","","","","","","8","P 1 21/c 1","-P 2ybc","14","","","","- C37 H35 Cl2 F6 N3 O2 P2 Pt -","- C37 H35 Cl2 F6 N3 O2 P2 Pt -","- C148 H140 Cl8 F24 N12 O8 P8 Pt4 -","4","1","","Fuertes, Sara; Chueca, Andrés J; Arnal, Lorenzo; Martín, Antonio; Giovanella, Umberto; Botta, Chiara; Sicilia, Violeta","Heteroleptic Cycloplatinated N-Heterocyclic Carbene Complexes: A New Approach to Highly Efficient Blue-Light Emitters.","Inorganic chemistry","2017","56","9","4829","4839","10.1021/acs.inorgchem.6b02826","","","0.71073","MoKα","","0.0375","0.0317","","","0.074","0.0775","","","","","","1.029","","","","has coordinates","195993","2020-10-21","18:00:00",""
"4345828","7.2697","0.0001","20.7458","0.0003","21.6887","0.0003","109.466","0.001","94.736","0.001","96.109","0.001","3042.11","0.08","123","0.1","","","","","","","","","","6","P -1","-P 1","2","","","","- C34 H42 F N O3 Pt -","- C34 H42 F N O3 Pt -","- C136 H168 F4 N4 O12 Pt4 -","4","2","","Shafikov, Marsel Z.; Suleymanova, Alfiya F.; Kozhevnikov, Dmitry N.; König, Burkhard","Tuning the Excimer Emission of Amphiphilic Platinum(II) Complexes Mediated by Phospholipid Vesicles.","Inorganic chemistry","2017","56","9","4885","4897","10.1021/acs.inorgchem.6b03100","","","1.54184","CuKα","","0.0296","0.0226","","","0.0525","0.056","","","","","","1.0295","","","","has coordinates","195994","2020-10-21","18:00:00",""
"4345829","11.8432","0.0009","14.15","0.0011","17.131","0.0011","90","","90.414","0.006","90","","2870.8","0.4","173","2","173","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C27 H24 B Cl Co F4 N10 -","- C27 H24 B Cl Co F4 N10 -","- C108 H96 B4 Cl4 Co4 F16 N40 -","4","1","","Schweinfurth, David; Krzystek, J.; Atanasov, Mihail; Klein, Johannes; Hohloch, Stephan; Telser, Joshua; Demeshko, Serhiy; Meyer, Franc; Neese, Frank; Sarkar, Biprajit","Tuning Magnetic Anisotropy Through Ligand Substitution in Five-Coordinate Co(II) Complexes.","Inorganic chemistry","2017","56","9","5253","5265","10.1021/acs.inorgchem.7b00371","","","0.71073","MoKα","","0.0675","0.0512","","","0.1383","0.1459","","","","","","0.953","","","","has coordinates","195995","2020-10-21","18:00:00",""
"4345830","19.3489","0.0009","19.3489","0.0009","43.5781","0.0039","90","","90","","90","","16314.8","1.8","294","2","294","2","","","","","","","","6","P 41 21 2","P 4abw 2nw","92","","","","- C36 H38 F9 N2 O6 Sm -","- C36 H38 F9 N2 O6 Sm -","- C576 H608 F144 N32 O96 Sm16 -","16","2","","Wong, Ho-Yin; Lo, Wai-Sum; Chan, Wesley Ting Kwok; Law, Ga-Lai","Mechanistic Investigation of Inducing Triboluminescence in Lanthanide(III) β-Diketonate Complexes.","Inorganic chemistry","2017","56","9","5135","5140","10.1021/acs.inorgchem.7b00273","","","0.71073","MoKα","","0.0586","0.0403","","","0.087","0.097","","","","","","1.091","","","","has coordinates,has disorder","195996","2020-10-21","18:00:00",""
"4345831","10.349","0.0008","16.9543","0.0012","21.8029","0.0016","90","","103.264","0.002","90","","3723.5","0.5","294","2","294","2","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C34 H20 Eu F9 N2 O6 S3 -","- C34 H20 Eu F9 N2 O6 S3 -","- C136 H80 Eu4 F36 N8 O24 S12 -","4","1","","Wong, Ho-Yin; Lo, Wai-Sum; Chan, Wesley Ting Kwok; Law, Ga-Lai","Mechanistic Investigation of Inducing Triboluminescence in Lanthanide(III) β-Diketonate Complexes.","Inorganic chemistry","2017","56","9","5135","5140","10.1021/acs.inorgchem.7b00273","","","0.71073","MoKα","","0.0455","0.038","","","0.1077","0.1124","","","","","","1.079","","","","has coordinates,has disorder","195997","2020-10-21","18:00:00",""
"4345832","22.765","0.006","19.288","0.006","7.634","0.002","90","","90","","90","","3352","1.6","293","2","293","2","","","","","","","","7","P n a 21","P 2c -2n","33","","","","- C28 H25 Cl5 F6 N5 P Ru -","- C28 H25 Cl5 F6 N5 P Ru -","- C112 H100 Cl20 F24 N20 P4 Ru4 -","4","1","","Roy, Suman K.; Sengupta, Debabrata; Rath, Santi Prasad; Saha, Tanushri; Samanta, Subhas; Goswami, Sreebrata","Role of Mediator and Effects of Temperature on ortho-C-N Bond Fusion Reactions of Aniline Using Ruthenium Templates: Isolation and Characterization of New Ruthenium Complexes of the in-Situ-Generated Ligands.","Inorganic chemistry","2017","56","9","4966","4977","10.1021/acs.inorgchem.6b03163","","","0.71073","MoKα","","0.0465","0.0397","","","0.117","0.125","","","","","","0.952","","","","has coordinates","195998","2020-10-21","18:00:00",""
"4345833","8.652","0.005","10.194","0.005","17.895","0.005","97.898","0.005","93.196","0.005","109.369","0.005","1466.2","1.2","150","2","150","2","","","","","","","","5","P -1","-P 1","2","","","","- C27 H21 Cl2 N5 Ru -","- C27 H21 Cl2 N5 Ru -","- C54 H42 Cl4 N10 Ru2 -","2","1","","Roy, Suman K.; Sengupta, Debabrata; Rath, Santi Prasad; Saha, Tanushri; Samanta, Subhas; Goswami, Sreebrata","Role of Mediator and Effects of Temperature on ortho-C-N Bond Fusion Reactions of Aniline Using Ruthenium Templates: Isolation and Characterization of New Ruthenium Complexes of the in-Situ-Generated Ligands.","Inorganic chemistry","2017","56","9","4966","4977","10.1021/acs.inorgchem.6b03163","","","0.71073","MoKα","","0.0591","0.0487","","","0.101","0.1037","","","","","","1.719","","","","has coordinates","195998","2020-10-21","18:00:00",""
"4345834","11.487","0.002","15.713","0.003","17.077","0.004","86.04","0.006","72.079","0.005","71.06","0.005","2772.4","1","293","2","293","2","","","","","","","","4","P -1","-P 1","2","","","","- C36 H26 N6 Ru -","- C36 H26 N6 Ru -","- C144 H104 N24 Ru4 -","4","2","","Roy, Suman K.; Sengupta, Debabrata; Rath, Santi Prasad; Saha, Tanushri; Samanta, Subhas; Goswami, Sreebrata","Role of Mediator and Effects of Temperature on ortho-C-N Bond Fusion Reactions of Aniline Using Ruthenium Templates: Isolation and Characterization of New Ruthenium Complexes of the in-Situ-Generated Ligands.","Inorganic chemistry","2017","56","9","4966","4977","10.1021/acs.inorgchem.6b03163","","","0.71073","MoKα","","0.094","0.0472","","","0.0794","0.0951","","","","","","0.964","","","","has coordinates","195998","2020-10-21","18:00:00",""
"4345835","7.317","0.005","22.932","0.005","9.537","0.005","90","","105.39","0.005","90","","1542.9","1.4","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C36 H36 Cu2 N4 O4 -","- C36 H36 Cu2 N4 O4 -","- C72 H72 Cu4 N8 O8 -","2","0.5","","Mahapatra, Prithwish; Ghosh, Soumavo; Giri, Sanjib; Rane, Vinayak; Kadam, Ramakant; Drew, Michael G. B.; Ghosh, Ashutosh","Subtle Structural Changes in (Cu(II)L)2Mn(II) Complexes To Induce Heterometallic Cooperative Catalytic Oxidase Activities on Phenolic Substrates (H2L = Salen Type Unsymmetrical Schiff Base).","Inorganic chemistry","2017","56","9","5105","5121","10.1021/acs.inorgchem.7b00253","","","0.71073","MoKα","","0.0441","0.0332","","","0.08","0.0859","","","","","","1.032","","","","has coordinates","195999","2020-10-21","18:00:00",""
"4345836","25.26","0.005","10.146","0.002","15.128","0.002","90","","95.317","0.014","90","","3860.4","1.2","150","2","150","2","","","","","","","","7","C 1 c 1","C -2yc","9","","","","- C36 H36 Cl Cu2 Mn N7 O10 -","- C36 H36 Cl Cu2 Mn N7 O10 -","- C144 H144 Cl4 Cu8 Mn4 N28 O40 -","4","1","","Mahapatra, Prithwish; Ghosh, Soumavo; Giri, Sanjib; Rane, Vinayak; Kadam, Ramakant; Drew, Michael G. B.; Ghosh, Ashutosh","Subtle Structural Changes in (Cu(II)L)2Mn(II) Complexes To Induce Heterometallic Cooperative Catalytic Oxidase Activities on Phenolic Substrates (H2L = Salen Type Unsymmetrical Schiff Base).","Inorganic chemistry","2017","56","9","5105","5121","10.1021/acs.inorgchem.7b00253","","","0.71073","MoKα","","0.1305","0.1073","","","0.2307","0.247","","","","","","1.129","","","","has coordinates","195999","2020-10-21","18:00:00",""
"4345837","13.659","0.004","18.556","0.004","15.412","0.002","90","","96.028","0.015","90","","3884.7","1.5","150","2","150","2","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C38 H36 Cu2 Mn N6 O4 S2 -","- C38 H36 Cu2 Mn N6 O4 S2 -","- C152 H144 Cu8 Mn4 N24 O16 S8 -","4","1","","Mahapatra, Prithwish; Ghosh, Soumavo; Giri, Sanjib; Rane, Vinayak; Kadam, Ramakant; Drew, Michael G. B.; Ghosh, Ashutosh","Subtle Structural Changes in (Cu(II)L)2Mn(II) Complexes To Induce Heterometallic Cooperative Catalytic Oxidase Activities on Phenolic Substrates (H2L = Salen Type Unsymmetrical Schiff Base).","Inorganic chemistry","2017","56","9","5105","5121","10.1021/acs.inorgchem.7b00253","","","0.71073","MoKα","","0.1919","0.1128","","","0.1872","0.2208","","","","","","1.176","","","","has coordinates","195999","2020-10-21","18:00:00",""
"4345838","8.9303","0.0006","14.691","0.0009","7.979","0.0005","90","","95.994","0.004","90","","1041.08","0.12","100","2","100","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","DMAPbI3","","- C2 H8 I3 N Pb -","- C2 H8 I3 N Pb -","- C8 H32 I12 N4 Pb4 -","4","1","","García-Fernández, A; Bermúdez-García, J M; Castro-García, S; Llamas-Saiz, A L; Artiaga, R.; López-Beceiro, J; Hu, S.; Ren, W.; Stroppa, A.; Sánchez-Andújar, M; Señarís-Rodríguez, M A","Phase Transition, Dielectric Properties, and Ionic Transport in the [(CH3)2NH2]PbI3 Organic-Inorganic Hybrid with 2H-Hexagonal Perovskite Structure.","Inorganic chemistry","2017","56","9","4918","4927","10.1021/acs.inorgchem.6b03095","","x-ray","0.71073","MoKα","","0.096","0.073","","","0.1776","0.1901","","","","","","1.028","","","","has coordinates","196000","2020-10-21","18:00:00",""
"4345839","11.8502","0.0002","43.2173","0.0005","9.4051","0.0002","90","","102.336","0.002","90","","4705.46","0.14","150","2","150","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C63.5 H47 Cl N2 O Pt -","- C63.5 H47 Cl N2 O Pt -","- C254 H188 Cl4 N8 O4 Pt4 -","4","1","","Lin, Che-Jen; Liu, Yi-Hung; Peng, Shie-Ming; Shinmyozu, Teruo; Yang, Jye-Shane","Excimer-Monomer Photoluminescence Mechanochromism and Vapochromism of Pentiptycene-Containing Cyclometalated Platinum(II) Complexes.","Inorganic chemistry","2017","56","9","4978","4989","10.1021/acs.inorgchem.7b00009","","","0.71073","MoKα","","0.058","0.0469","","","0.1498","0.1601","","","","","","1.183","","","","has coordinates","196001","2020-10-21","18:00:00",""
"4345840","9.255","0.0005","11.4996","0.0007","13.95","0.0008","96.103","0.005","97.521","0.005","98.582","0.005","1443.39","0.15","150","2","150","2","","","","","","","","6","P -1","-P 1","2","","","","- C16 H10 Br Cl N2 Pt -","- C16 H10 Br Cl N2 Pt -","- C64 H40 Br4 Cl4 N8 Pt4 -","4","2","","Lin, Che-Jen; Liu, Yi-Hung; Peng, Shie-Ming; Shinmyozu, Teruo; Yang, Jye-Shane","Excimer-Monomer Photoluminescence Mechanochromism and Vapochromism of Pentiptycene-Containing Cyclometalated Platinum(II) Complexes.","Inorganic chemistry","2017","56","9","4978","4989","10.1021/acs.inorgchem.7b00009","","","1.54178","CuKα","","0.0662","0.0452","","","0.1027","0.1172","","","","","","1.049","","","","has coordinates","196001","2020-10-21","18:00:00",""
"4345841","17.5788","0.0006","18.3829","0.0006","22.6662","0.0008","90","","90","","90","","7324.6","0.4","150","","150","","","","","","","","synthesis as described","5","P 21 21 21","P 2ac 2ab","19","","","","- C36 H37 Cl Ir N3 -","- C36 H37 Cl Ir N3 -","- C288 H296 Cl8 Ir8 N24 -","8","2","","Hierlinger, Claus; Roisnel, Thierry; Cordes, David B.; Slawin, Alexandra M. Z.; Jacquemin, Denis; Guerchais, Véronique; Zysman-Colman, Eli","An Unprecedented Family of Luminescent Iridium(III) Complexes Bearing a Six-Membered Chelated Tridentate C^N^C Ligand.","Inorganic chemistry","2017","56","9","5182","5188","10.1021/acs.inorgchem.7b00328","","x-ray","0.71073","MoKα","","0.0639","0.0541","","","0.1249","0.1329","","","","","","1.182","","","","has coordinates,has disorder","196002","2020-10-21","18:00:00",""
"4345842","16.6728","0.0018","16.9537","0.0014","17.3328","0.0018","90","","113.334","0.002","90","","4498.7","0.8","173","","173","","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C46 H57 Cl5 Ir N3 -","- C46 H57 Cl5 Ir N3 -","- C184 H228 Cl20 Ir4 N12 -","4","1","","Hierlinger, Claus; Roisnel, Thierry; Cordes, David B.; Slawin, Alexandra M. Z.; Jacquemin, Denis; Guerchais, Véronique; Zysman-Colman, Eli","An Unprecedented Family of Luminescent Iridium(III) Complexes Bearing a Six-Membered Chelated Tridentate C^N^C Ligand.","Inorganic chemistry","2017","56","9","5182","5188","10.1021/acs.inorgchem.7b00328","","","0.71075","MoKα","","0.029","0.0256","","","0.0713","0.0728","","","","","","1.087","","","","has coordinates","196002","2020-10-21","18:00:00",""
"4345843","13.2316","0.0011","15.2465","0.0012","19.5943","0.0019","86.3","0.006","81.439","0.006","77.394","0.006","3812.5","0.6","173","","173","","","","","","","","","6","P -1","-P 1","2","","","","- C39 H37 Cl3 F6 Ir N3 -","- C39 H37 Cl3 F6 Ir N3 -","- C156 H148 Cl12 F24 Ir4 N12 -","4","2","","Hierlinger, Claus; Roisnel, Thierry; Cordes, David B.; Slawin, Alexandra M. Z.; Jacquemin, Denis; Guerchais, Véronique; Zysman-Colman, Eli","An Unprecedented Family of Luminescent Iridium(III) Complexes Bearing a Six-Membered Chelated Tridentate C^N^C Ligand.","Inorganic chemistry","2017","56","9","5182","5188","10.1021/acs.inorgchem.7b00328","","","0.71075","MoKα","","0.1146","0.0515","","","0.0648","0.0796","","","","","","1.082","","","","has coordinates,has disorder","196002","2020-10-21","18:00:00",""
"4345844","6.38972","0.00016","6.38972","0.00016","12.7872","0.0011","90","","90","","90","","522.08","0.05","293","2","293","2","","","","","","","","3","I 41/a m d","-I 4bd 2","141","","","","- Au2 Ba S2 -","- Au2 Ba S2 -","- Au8 Ba4 S8 -","4","","","Zhou, Molin; Jiang, Xin; Jiang, Xingxing; Xiao, Ke; Guo, Yangwu; Huang, Hongwei; Lin, Zheshuai; Yao, Jiyong; Tung, Chen-Ho; Wu, Li-Zhu; Wu, Yicheng","BaAu2S2: A Au-Based Intrinsic Photocatalyst for High-Performance Visible-Light Photocatalysis.","Inorganic chemistry","2017","56","9","5173","5181","10.1021/acs.inorgchem.7b00319","","","0.7107","MoKα","","0.0338","0.0313","","","0.0769","0.0789","","","","","","1.362","","","","has coordinates","196003","2020-10-21","18:00:00",""
"4345845","20.597","0.004","20.597","0.004","20.597","0.004","90","","90","","90","","8738","3","296","2","296.15","","","","","","","","","7","I -4 3 m","I -4 2 3","217","","","","- C130 H174 Ag3 F12 N54 O12 S4 -","- C130 H174 Ag3 F12 N54 O12 S4 -","- C260 H348 Ag6 F24 N108 O24 S8 -","2","0.0416667","","Jimenez, Jorge; Chakraborty, Indranil; Del Cid, Anthony M.; Mascharak, Pradip K.","Five- and Six-Coordinated Silver(I) Complexes Derived from 2,6-(Pyridyl)iminodiadamantanes: Sustained Release of Bioactive Silver toward Bacterial Eradication.","Inorganic chemistry","2017","56","9","4784","4787","10.1021/acs.inorgchem.7b00621","","","0.71073","MoKα","","0.0429","0.0301","","","0.0648","0.07","","","","","","1.042","","","","has coordinates","196004","2020-10-21","18:00:00",""
"4345846","15.8278","0.0008","19.4185","0.001","20.9508","0.0011","66.202","0.001","72.993","0.001","69.876","0.001","5442.9","0.5","273","2","273.15","","","","","","","","","7","P -1","-P 1","2","","","","- C55 H71 Ag F3 N6 O4.5 S -","- C55 H70.5 Ag F3 N6 O4.5 S -","- C220 H282 Ag4 F12 N24 O18 S4 -","4","2","","Jimenez, Jorge; Chakraborty, Indranil; Del Cid, Anthony M.; Mascharak, Pradip K.","Five- and Six-Coordinated Silver(I) Complexes Derived from 2,6-(Pyridyl)iminodiadamantanes: Sustained Release of Bioactive Silver toward Bacterial Eradication.","Inorganic chemistry","2017","56","9","4784","4787","10.1021/acs.inorgchem.7b00621","","","0.71073","MoKα","","0.1655","0.0794","","","0.2042","0.2613","","","","","","0.956","","","","has coordinates","253039","2020-10-21","18:00:00",""
"4345847","15.8502","0.0007","9.2263","0.0004","17.6466","0.0008","90","","116.564","0.008","90","","2308.2","0.2","100","2","100","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C16 H20 Co Eu N8 O7 -","- C16 H20 Co Eu N8 O7 -","- C64 H80 Co4 Eu4 N32 O28 -","4","0.5","","Chorazy, Szymon; Kumar, Kunal; Nakabayashi, Koji; Sieklucka, Barbara; Ohkoshi, Shin-Ichi","Fine Tuning of Multicolored Photoluminescence in Crystalline Magnetic Materials Constructed of Trimetallic EuxTb1-x[Co(CN)6] Cyanido-Bridged Chains.","Inorganic chemistry","2017","56","9","5239","5252","10.1021/acs.inorgchem.7b00369","","x-ray","0.71075","MoKα","","0.0309","0.0269","","","0.0469","0.0554","","","","","","1.311","","","","has coordinates","196005","2020-10-21","18:00:00",""
"4345848","15.8179","0.0005","9.2054","0.0003","17.6221","0.0005","90","","116.6","0.008","90","","2294.4","0.2","100","2","100","2","","","","","","","","7","C 1 2/c 1","-C 2yc","15","","","","- C16 H20 Co Eu0.5 N8 O7 Tb0.5 -","- C16 H20 Co Eu0.5 N8 O7 Tb0.5 -","- C64 H80 Co4 Eu2 N32 O28 Tb2 -","4","0.5","","Chorazy, Szymon; Kumar, Kunal; Nakabayashi, Koji; Sieklucka, Barbara; Ohkoshi, Shin-Ichi","Fine Tuning of Multicolored Photoluminescence in Crystalline Magnetic Materials Constructed of Trimetallic EuxTb1-x[Co(CN)6] Cyanido-Bridged Chains.","Inorganic chemistry","2017","56","9","5239","5252","10.1021/acs.inorgchem.7b00369","","x-ray","0.71075","MoKα","","0.0209","0.0192","","","0.0385","0.039","","","","","","1.213","","","","has coordinates","196005","2020-10-21","18:00:00",""
"4345849","15.8279","0.0006","9.1964","0.0004","17.6223","0.0007","90","","116.614","0.008","90","","2293.3","0.2","100","2","100","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C16 H20 Co N8 O7 Tb -","- C16 H20 Co N8 O7 Tb -","- C64 H80 Co4 N32 O28 Tb4 -","4","0.5","","Chorazy, Szymon; Kumar, Kunal; Nakabayashi, Koji; Sieklucka, Barbara; Ohkoshi, Shin-Ichi","Fine Tuning of Multicolored Photoluminescence in Crystalline Magnetic Materials Constructed of Trimetallic EuxTb1-x[Co(CN)6] Cyanido-Bridged Chains.","Inorganic chemistry","2017","56","9","5239","5252","10.1021/acs.inorgchem.7b00369","","x-ray","0.71075","MoKα","","0.0593","0.048","","","0.0762","0.0789","","","","","","1.164","","","","has coordinates","196005","2020-10-21","18:00:00",""
"4345850","19.054","0.007","19.054","0.007","32.418","0.012","90","","90","","90","","11770","8","100","2","100","2","","","","","","","","5","I 4/m","-I 4","87","","","","- C120 H144 N48 O24 Pd8 -","- C120 H144 N48 O24 Pd8 -","- C240 H288 N96 O48 Pd16 -","2","0.125","","Bhat, Imtiyaz Ahmad; Jain, Ruchi; Siddiqui, Mujahuddin M.; Saini, Deepak K.; Mukherjee, Partha Sarathi","Water-Soluble Pd8L4 Self-assembled Molecular Barrel as an Aqueous Carrier for Hydrophobic Curcumin.","Inorganic chemistry","2017","56","9","5352","5360","10.1021/acs.inorgchem.7b00449","","","0.71073","MoKα","","0.105","0.0668","","","0.2132","0.2495","","","","","","0.947","","","","has coordinates","196006","2020-10-21","18:00:00",""
"4345851","10.613","0.001","14.315","0.001","22.588","0.001","95.82","0.005","90.535","0.003","103.84","0.005","3312.9","0.4","100","2","100","2","","","","","","","","2","P -1","-P 1","2","","","","- C98 Cl21.25 -","- C98 Cl21.256 -","- C196 Cl42.512 -","2","1","","Jin, Fei; Yang, Shangfeng; Troyanov, Sergey I.","New Isolated-Pentagon-Rule Isomers of Fullerene C98 Captured as Chloro Derivatives.","Inorganic chemistry","2017","56","9","4780","4783","10.1021/acs.inorgchem.7b00568","","","0.895","synchrotron","","0.1495","0.0722","","","0.1527","0.1742","","","","","","1.001","","","","has coordinates","196007","2020-10-21","18:00:00",""
"4345852","12.542","0.001","25.69","0.001","26.083","0.001","63.374","0.005","86.758","0.008","88.661","0.008","7500.8","0.8","100","2","100","2","","","","","","","","2","P -1","-P 1","2","","","","- C196 Cl52.33 -","- C196 Cl52.367 -","- C392 Cl104.734 -","2","1","","Jin, Fei; Yang, Shangfeng; Troyanov, Sergey I.","New Isolated-Pentagon-Rule Isomers of Fullerene C98 Captured as Chloro Derivatives.","Inorganic chemistry","2017","56","9","4780","4783","10.1021/acs.inorgchem.7b00568","","","0.895","synchrotron","","0.1809","0.1241","","","0.2995","0.316","","","","","","1.295","","","","has coordinates","196008","2020-10-21","18:00:00",""
"4345853","12.558","0.008","12.607","0.008","22.224","0.014","90","","103.499","0.007","90","","3421","4","100","2","99.97","","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C30 H40 B2 F8 N4 Pd S2 -","- C30 H40 B2 F8 N4 Pd S2 -","- C120 H160 B8 F32 N16 Pd4 S8 -","4","1","","Liu, Yuan; Kean, Zachary S.; d'Aquino, Andrea I; Manraj, Yashin D.; Mendez-Arroyo, Jose; Mirkin, Chad A.","Palladium(II) Weak-Link Approach Complexes Bearing Hemilabile N-Heterocyclic Carbene-Thioether Ligands.","Inorganic chemistry","2017","56","10","5902","5910","10.1021/acs.inorgchem.7b00543","","","0.71073","MoKα","","0.0317","0.0245","","","0.064","0.0675","","","","","","1.01","","","","has coordinates","197400","2020-10-21","18:00:00",""
"4345854","11.015","0.002","14.728","0.003","16.77","0.003","95.932","0.003","108.865","0.002","109.445","0.003","2358.8","0.8","291","2","291","2","","","","","","","","4","P -1","-P 1","2","","","","- C56 H58 Li2 N4 -","- C56 H58 Li2 N4 -","- C112 H116 Li4 N8 -","2","1","","Guo, Liping; Wang, Shaowu; Wei, Yun; Zhou, Shuangliu; Zhu, Xiancui; Mu, Xiaolong","Reactivity of 1,3-Disubstituted Indoles with Lithium Compounds: Substituents and Solvents Effects on Coordination and Reactivity of Resulting 1,3-Disubstituted-2-Indolyl Lithium Complexes","Inorganic Chemistry","2017","","","","","10.1021/acs.inorgchem.7b00179","","","0.71073","MoKα","","0.1324","0.0593","","","0.1187","0.1462","","","","","","1.071","","","","has coordinates","196527","2020-10-21","18:00:00",""
"4345855","12.5984","0.0013","13.3976","0.0014","17.8943","0.0018","90.969","0.001","99.585","0.001","115.726","0.001","2669.4","0.5","293","2","293","2","","","","","","","","4","P -1","-P 1","2","","","","- C60 H63 Li3 N6 -","- C60 H63 Li3 N6 -","- C120 H126 Li6 N12 -","2","1","","Guo, Liping; Wang, Shaowu; Wei, Yun; Zhou, Shuangliu; Zhu, Xiancui; Mu, Xiaolong","Reactivity of 1,3-Disubstituted Indoles with Lithium Compounds: Substituents and Solvents Effects on Coordination and Reactivity of Resulting 1,3-Disubstituted-2-Indolyl Lithium Complexes","Inorganic Chemistry","2017","","","","","10.1021/acs.inorgchem.7b00179","","","0.71073","MoKα","","0.13","0.0573","","","0.1446","0.1818","","","","","","0.983","","","","has coordinates,has disorder","196527","2020-10-21","18:00:00",""
"4345856","18.993","0.002","12.5282","0.0014","18.014","0.002","90","","90","","90","","4286.4","0.8","293","2","293","2","","","","","","","","5","P c a 21","P 2c -2ac","29","","","","- C46 H54 Li2 N4 O2 -","- C46 H54 Li2 N4 O2 -","- C184 H216 Li8 N16 O8 -","4","1","","Guo, Liping; Wang, Shaowu; Wei, Yun; Zhou, Shuangliu; Zhu, Xiancui; Mu, Xiaolong","Reactivity of 1,3-Disubstituted Indoles with Lithium Compounds: Substituents and Solvents Effects on Coordination and Reactivity of Resulting 1,3-Disubstituted-2-Indolyl Lithium Complexes","Inorganic Chemistry","2017","","","","","10.1021/acs.inorgchem.7b00179","","","0.71073","MoKα","","0.1775","0.0674","","","0.1339","0.176","","","","","","1.006","","","","has coordinates","196527","2020-10-21","18:00:00",""
"4345857","10.3357","0.0011","11.635","0.0012","14.8416","0.0015","111.896","0.001","105.338","0.001","91.083","0.001","1583.2","0.3","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C35 H44 Li N2 O -","- C35 H40 Li N2 O -","- C70 H80 Li2 N4 O2 -","2","1","","Guo, Liping; Wang, Shaowu; Wei, Yun; Zhou, Shuangliu; Zhu, Xiancui; Mu, Xiaolong","Reactivity of 1,3-Disubstituted Indoles with Lithium Compounds: Substituents and Solvents Effects on Coordination and Reactivity of Resulting 1,3-Disubstituted-2-Indolyl Lithium Complexes","Inorganic Chemistry","2017","","","","","10.1021/acs.inorgchem.7b00179","","","0.71073","MoKα","","0.1393","0.0688","","","0.117","0.1365","","","","","","1.04","","","","has coordinates,has disorder","196527","2020-10-21","18:00:00",""
"4345858","10.9434","0.0016","23.059","0.003","17.755","0.003","90","","107.701","0.002","90","","4268.2","1.1","293","2","293","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C48 H58 Li2 N4 O2 -","- C48 H58 Li2 N4 O2 -","- C192 H232 Li8 N16 O8 -","4","0.5","","Guo, Liping; Wang, Shaowu; Wei, Yun; Zhou, Shuangliu; Zhu, Xiancui; Mu, Xiaolong","Reactivity of 1,3-Disubstituted Indoles with Lithium Compounds: Substituents and Solvents Effects on Coordination and Reactivity of Resulting 1,3-Disubstituted-2-Indolyl Lithium Complexes","Inorganic Chemistry","2017","","","","","10.1021/acs.inorgchem.7b00179","","","0.71073","MoKα","","0.1446","0.1071","","","0.2815","0.304","","","","","","1.066","","","","has coordinates,has disorder","196527","2020-10-21","18:00:00",""
"4345859","11.459","0.0011","14.8991","0.0015","16.6536","0.0017","93.994","0.001","90.702","0.001","99.606","0.001","2795.8","0.5","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C64 H75 Li N4 O2 -","- C64 H75 Li N4 O2 -","- C128 H150 Li2 N8 O4 -","2","1","","Guo, Liping; Wang, Shaowu; Wei, Yun; Zhou, Shuangliu; Zhu, Xiancui; Mu, Xiaolong","Reactivity of 1,3-Disubstituted Indoles with Lithium Compounds: Substituents and Solvents Effects on Coordination and Reactivity of Resulting 1,3-Disubstituted-2-Indolyl Lithium Complexes","Inorganic Chemistry","2017","","","","","10.1021/acs.inorgchem.7b00179","","","0.71073","MoKα","","0.131","0.0641","","","0.1196","0.1346","","","","","","1.02","","","","has coordinates,has disorder","196527","2020-10-21","18:00:00",""
"4345860","17.746","0.002","16.299","0.002","27.596","0.003","90","","102.391","0.002","90","","7796","1.6","293","2","293","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C44 H51 Li N4 O -","- C44 H51 Li N4 O -","- C352 H408 Li8 N32 O8 -","8","1","","Guo, Liping; Wang, Shaowu; Wei, Yun; Zhou, Shuangliu; Zhu, Xiancui; Mu, Xiaolong","Reactivity of 1,3-Disubstituted Indoles with Lithium Compounds: Substituents and Solvents Effects on Coordination and Reactivity of Resulting 1,3-Disubstituted-2-Indolyl Lithium Complexes","Inorganic Chemistry","2017","","","","","10.1021/acs.inorgchem.7b00179","","","0.71073","MoKα","","0.1612","0.0584","","","0.1364","0.1793","","","","","","1.067","","","","has coordinates","196527","2020-10-21","18:00:00",""
"4345861","11.643","0.004","16.448","0.005","20.943","0.006","90","","103.469","0.004","90","","3900","2","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C44 H53 Li N4 O -","- C44 H53 Li N4 O -","- C176 H212 Li4 N16 O4 -","4","1","","Guo, Liping; Wang, Shaowu; Wei, Yun; Zhou, Shuangliu; Zhu, Xiancui; Mu, Xiaolong","Reactivity of 1,3-Disubstituted Indoles with Lithium Compounds: Substituents and Solvents Effects on Coordination and Reactivity of Resulting 1,3-Disubstituted-2-Indolyl Lithium Complexes","Inorganic Chemistry","2017","","","","","10.1021/acs.inorgchem.7b00179","","","0.71073","MoKα","","0.1597","0.0756","","","0.1976","0.2658","","","","","","0.99","","","","has coordinates","196527","2020-10-21","18:00:00",""
"4345862","21.71","0.0004","21.71","0.0004","30.5654","0.0012","90","","90","","90","","14406.2","0.7","122.15","0.1","122.15","0.1","","","","","","","","5","I 41/a c d","-I 4bd 2c","142","","","","- C48 H68 N8 O39 Tb4 -","- C48 H68 N8 O39 Tb4 -","- C384 H544 N64 O312 Tb32 -","8","","","Dong, Jie; Xu, Hang; Hou, Sheng-Li; Wu, Zhi-Lei; Zhao, Bin","Metal‒Organic Frameworks with Tb4 Clusters as Nodes: Luminescent Detection of Chromium(VI) and Chemical Fixation of CO2","Inorganic Chemistry","2017","","","","","10.1021/acs.inorgchem.7b00323","","","0.7107","MoKα","","0.0478","0.0366","","","0.0926","0.1001","","","","","","1.088","","","","has coordinates","196559","2020-10-21","18:00:00",""
"4345863","23.964","0.003","23.964","0.003","23.964","0.003","90","","90","","90","","13762","3","293","2","293","2","","","","","","","","5","I 21 3","I 2b 2c 3","199","","","","- C75 Mn2 N12 O45 Tb8 -","- C75 Mn2 N12 O45 Tb8 -","- C300 Mn8 N48 O180 Tb32 -","4","0.166667","","Dong, Jie; Xu, Hang; Hou, Sheng-Li; Wu, Zhi-Lei; Zhao, Bin","Metal‒Organic Frameworks with Tb4 Clusters as Nodes: Luminescent Detection of Chromium(VI) and Chemical Fixation of CO2","Inorganic Chemistry","2017","","","","","10.1021/acs.inorgchem.7b00323","","","0.71073","MoKα","","0.1024","0.1002","","","0.2682","0.272","","","","","","1.21","","","","has coordinates,has disorder","196559","2020-10-21","18:00:00",""
"4345864","20.027","0.003","14.026","0.0018","8.9926","0.0016","90","","100.235","0.014","90","","2485.8","0.7","150","2","150","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C26 H22 Co N8 O4 -","- C26 H22 Co N8 O4 -","- C104 H88 Co4 N32 O16 -","4","1","","Peng, Yan; Mereacre, Valeriu; Anson, Christopher E.; Zhang, Yiquan; Bodenstein, Tilmann; Fink, Karin; Powell, Annie K.","Field-Induced Co(II) Single-Ion Magnets with mer-Directing Ligands but Ambiguous Coordination Geometry.","Inorganic chemistry","2017","56","11","6056","6066","10.1021/acs.inorgchem.6b02743","","","0.71073","MoKα","","0.0858","0.0405","","","0.0707","0.0776","","","","","","0.846","","","","has coordinates","198417","2020-10-21","18:00:00",""
"4345865","11.7543","0.0012","12.8415","0.0009","19.736","0.002","90","","91.266","0.012","90","","2978.3","0.5","218","2","218","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C29 H26 Cl2 Co N6 O6 -","- C29 H26 Cl2 Co N6 O6 -","- C116 H104 Cl8 Co4 N24 O24 -","4","1","","Peng, Yan; Mereacre, Valeriu; Anson, Christopher E.; Zhang, Yiquan; Bodenstein, Tilmann; Fink, Karin; Powell, Annie K.","Field-Induced Co(II) Single-Ion Magnets with mer-Directing Ligands but Ambiguous Coordination Geometry.","Inorganic chemistry","2017","56","11","6056","6066","10.1021/acs.inorgchem.6b02743","","","0.71073","MoKα","","0.0898","0.0549","","","0.1361","0.1538","","","","","","0.996","","","","has coordinates,has disorder","198417","2020-10-21","18:00:00",""
"4345866","14.405","0.004","14.405","0.004","18.418","0.005","90","","90","","90","","3821.8","1.8","400","","400","","","","","","","","","5","P 4/n c c","-P 4a 2ac","130","","","","- C38 H28 Mn3 N10 O4 -","- C38 H28 Mn3 N10 O4 -","- C152 H112 Mn12 N40 O16 -","4","","","Ohtani, Ryo; Grosjean, Arnaud; Ishikawa, Ryuta; Yamamoto, Riho; Nakamura, Masaaki; Clegg, Jack K.; Hayami, Shinya","Zero in-Plane Thermal Expansion in Guest-Tunable 2D Coordination Polymers.","Inorganic chemistry","2017","56","11","6225","6233","10.1021/acs.inorgchem.7b00282","","","0.71075","MoKα","","0.1328","0.1068","","","0.2107","0.225","","","","","","1.346","","","","has coordinates","198418","2020-10-21","18:00:00",""
"4345867","14.408","0.004","14.408","0.004","18.361","0.005","90","","90","","90","","3811.6","1.8","380","","380","","","","","","","","","5","P 4/n c c","-P 4a 2ac","130","","","","- C38 H28 Mn3 N10 O4.25 -","- C38 H28 Mn3 N10 O4.25 -","- C152 H112 Mn12 N40 O17 -","4","","","Ohtani, Ryo; Grosjean, Arnaud; Ishikawa, Ryuta; Yamamoto, Riho; Nakamura, Masaaki; Clegg, Jack K.; Hayami, Shinya","Zero in-Plane Thermal Expansion in Guest-Tunable 2D Coordination Polymers.","Inorganic chemistry","2017","56","11","6225","6233","10.1021/acs.inorgchem.7b00282","","","0.71075","MoKα","","0.1225","0.1019","","","0.1969","0.2074","","","","","","1.361","","","","has coordinates","198418","2020-10-21","18:00:00",""
"4345868","14.422","0.003","14.422","0.003","18.294","0.004","90","","90","","90","","3805","1.4","340","","340","","","","","","","","","5","P 4/n c c","-P 4a 2ac","130","","","","- C38 H28 Mn3 N10 O4.66 -","- C38 H28 Mn3 N10 O4.66 -","- C152 H112 Mn12 N40 O18.64 -","4","","","Ohtani, Ryo; Grosjean, Arnaud; Ishikawa, Ryuta; Yamamoto, Riho; Nakamura, Masaaki; Clegg, Jack K.; Hayami, Shinya","Zero in-Plane Thermal Expansion in Guest-Tunable 2D Coordination Polymers.","Inorganic chemistry","2017","56","11","6225","6233","10.1021/acs.inorgchem.7b00282","","","0.71075","MoKα","","0.1267","0.108","","","0.1911","0.2","","","","","","1.357","","","","has coordinates","198418","2020-10-21","18:00:00",""
"4345869","14.178","0.003","14.47","0.003","18.385","0.003","90","","90","","90","","3771.8","1.3","240","","240","","","","","","","","","5","P c c n","-P 2ab 2ac","56","","","","- C38 H28 Mn3 N10 O5 -","- C38 H28 Mn3 N10 O5 -","- C152 H112 Mn12 N40 O20 -","4","0.5","","Ohtani, Ryo; Grosjean, Arnaud; Ishikawa, Ryuta; Yamamoto, Riho; Nakamura, Masaaki; Clegg, Jack K.; Hayami, Shinya","Zero in-Plane Thermal Expansion in Guest-Tunable 2D Coordination Polymers.","Inorganic chemistry","2017","56","11","6225","6233","10.1021/acs.inorgchem.7b00282","","","0.71075","MoKα","","0.0977","0.0704","","","0.1383","0.1516","","","","","","1.16","","","","has coordinates","198418","2020-10-21","18:00:00",""
"4345870","14.102","0.002","14.359","0.002","18.392","0.003","90","","90","","90","","3724.2","1","123","","123","","","","","","","","","5","P c c n","-P 2ab 2ac","56","","","","- C38 H28 Mn3 N10 O5 -","- C38 H28 Mn3 N10 O5 -","- C152 H112 Mn12 N40 O20 -","4","0.5","","Ohtani, Ryo; Grosjean, Arnaud; Ishikawa, Ryuta; Yamamoto, Riho; Nakamura, Masaaki; Clegg, Jack K.; Hayami, Shinya","Zero in-Plane Thermal Expansion in Guest-Tunable 2D Coordination Polymers.","Inorganic chemistry","2017","56","11","6225","6233","10.1021/acs.inorgchem.7b00282","","","0.71075","MoKα","","0.0764","0.0556","","","0.1189","0.1299","","","","","","1.122","","","","has coordinates","198418","2020-10-21","18:00:00",""
"4345871","14.36","0.004","14.36","0.004","18.449","0.006","90","","90","","90","","3804.4","1.9","340","","340","","","","","","","","","5","P 4/n c c","-P 4a 2ac","130","","","","- C38 H28 Mn3 N10 O4 -","- C38 H28 Mn3 N10 O4 -","- C152 H112 Mn12 N40 O16 -","4","","","Ohtani, Ryo; Grosjean, Arnaud; Ishikawa, Ryuta; Yamamoto, Riho; Nakamura, Masaaki; Clegg, Jack K.; Hayami, Shinya","Zero in-Plane Thermal Expansion in Guest-Tunable 2D Coordination Polymers.","Inorganic chemistry","2017","56","11","6225","6233","10.1021/acs.inorgchem.7b00282","","","0.71075","MoKα","","0.1097","0.0894","","","0.1705","0.1812","","","","","","1.258","","","","has coordinates","198418","2020-10-21","18:00:00",""
"4345874","10.9287","0.0005","10.9287","0.0005","27.4503","0.0014","90","","90","","120","","2839.3","0.2","130","2","130","2","","","","","","","","3","R -3 :H","-R 3","148","","","","- C49 H42 P2 -","- C49 H42 P2 -","- C147 H126 P6 -","3","0.166667","","Quinlivan, Patrick J.; Parkin, Gerard","Flexibility of the Carbodiphosphorane, (Ph3P)2C: Structural Characterization of a Linear Form.","Inorganic chemistry","2017","56","10","5493","5497","10.1021/acs.inorgchem.7b00381","","","0.71073","MoKα","","0.0462","0.0383","","","0.1155","0.1213","","","","","","1.613","","","","has coordinates","197221","2020-10-21","18:00:00",""
"4345875","11.8158","0.0011","13.3127","0.0013","23.777","0.002","90","","90.569","0.001","90","","3739.9","0.6","296","2","296","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C21 H27 Br9 N3 Pb3 -","- C21 H27 Br9 N3 Pb3 -","- C84 H108 Br36 N12 Pb12 -","4","1","","Liu, Guangfeng; Liu, Jie; Nie, Lina; Ban, Rui; Armatas, Gerasimos S.; Tao, Xutang; Zhang, Qichun","Surfactant 1-Hexadecyl-3-methylimidazolium Chloride Can Convert One-Dimensional Viologen Bromoplumbate into Zero-Dimensional.","Inorganic chemistry","2017","56","10","5498","5501","10.1021/acs.inorgchem.7b00648","","","0.71073","MoKα","","0.0753","0.0361","","","0.0658","0.0758","","","","","","0.888","","","","has coordinates","197222","2020-10-21","18:00:00",""
"4345876","12.3896","0.0017","13.6687","0.0019","23.797","0.003","90","","90.0047","0.0019","90","","4030","0.9","296","2","296","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C24 H32 Br9 N3 Pb3 -","- C24 H32 Br9 N3 Pb3 -","- C96 H128 Br36 N12 Pb12 -","4","1","","Liu, Guangfeng; Liu, Jie; Nie, Lina; Ban, Rui; Armatas, Gerasimos S.; Tao, Xutang; Zhang, Qichun","Surfactant 1-Hexadecyl-3-methylimidazolium Chloride Can Convert One-Dimensional Viologen Bromoplumbate into Zero-Dimensional.","Inorganic chemistry","2017","56","10","5498","5501","10.1021/acs.inorgchem.7b00648","","","0.71073","MoKα","","0.0804","0.0416","","","0.098","0.1126","","","","","","1.016","","","","has coordinates","197223","2020-10-21","18:00:00",""
"4345877","15.779","0.003","24.507","0.005","11.845","0.002","90","","105.01","0.002","90","","4424.1","1.4","296","2","296","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C54 Br18 N6 Pb6 -","- C54 Br18 N6 Pb6 -","- C108 Br36 N12 Pb12 -","2","0.5","","Liu, Guangfeng; Liu, Jie; Nie, Lina; Ban, Rui; Armatas, Gerasimos S.; Tao, Xutang; Zhang, Qichun","Surfactant 1-Hexadecyl-3-methylimidazolium Chloride Can Convert One-Dimensional Viologen Bromoplumbate into Zero-Dimensional.","Inorganic chemistry","2017","56","10","5498","5501","10.1021/acs.inorgchem.7b00648","","","0.71073","MoKα","","0.1282","0.0673","","","0.1892","0.2179","","","","","","1.132","","","","has coordinates","197224","2020-10-21","18:00:00",""
"4345878","9.831","0.003","12.003","0.004","13.179","0.004","74.939","0.006","70.669","0.006","68.287","0.006","1346.5","0.7","296","2","296","2","","","","","","","","6","P -1","-P 1","2","","","","- C36 H54 Cu2 N6 O25 V6 -","- C36 H54 Cu2 N6 O25 V6 -","- C36 H54 Cu2 N6 O25 V6 -","1","0.5","","Li, Ji-Kun; Dong, Jing; Wei, Chuan-Ping; Yang, Song; Chi, Ying-Nan; Xu, Yan-Qing; Hu, Chang-Wen","Controllable Synthesis of Lindqvist Alkoxopolyoxovanadate Clusters as Heterogeneous Catalysts for Sulfoxidation of Sulfides.","Inorganic chemistry","2017","56","10","5748","5756","10.1021/acs.inorgchem.7b00366","","","0.71073","MoKα","","0.11","0.0707","","","0.1458","0.1739","","","","","","1.043","","","","has coordinates","197225","2020-10-21","18:00:00",""
"4345879","23.3908","0.0018","16.0481","0.0013","21","0.002","90","","90","","90","","7882.9","1.2","100","2","100","2","","","","","","","","6","C m c e","-C 2ac 2","64","","","","- C64 H64 Cl4 Mn6 N12 O34 -","- C64 H62 Cl4 Mn6 N12 O34 -","- C256 H248 Cl16 Mn24 N48 O136 -","4","0.25","","Savva, Maria; Skordi, Katerina; Fournet, Adeline D.; Thuijs, Annaliese E.; Christou, George; Perlepes, Spyros P.; Papatriantafyllopoulou, Constantina; Tasiopoulos, Anastasios J.","Heterometallic Mn(III)4Ln2 (Ln = Dy, Gd, Tb) Cross-Shaped Clusters and Their Homometallic Mn(III)4Mn(II)2 Analogues.","Inorganic chemistry","2017","56","10","5657","5668","10.1021/acs.inorgchem.7b00191","","","0.71073","MoKα","","0.0742","0.0653","","","0.1849","0.1927","","","","","","1.067","","","","has coordinates","197226","2020-10-21","18:00:00",""
"4345880","16.7857","0.0016","20.4275","0.0019","22.1167","0.0018","90","","99.13","0.009","90","","7487.5","1.2","100","2","100","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C51.7 H48.1 Dy2 Mn4 N12 O31.5 -","- C51.7 H48.1 Dy2 Mn4 N12 O31.5 -","- C206.8 H192.4 Dy8 Mn16 N48 O126 -","4","1","","Savva, Maria; Skordi, Katerina; Fournet, Adeline D.; Thuijs, Annaliese E.; Christou, George; Perlepes, Spyros P.; Papatriantafyllopoulou, Constantina; Tasiopoulos, Anastasios J.","Heterometallic Mn(III)4Ln2 (Ln = Dy, Gd, Tb) Cross-Shaped Clusters and Their Homometallic Mn(III)4Mn(II)2 Analogues.","Inorganic chemistry","2017","56","10","5657","5668","10.1021/acs.inorgchem.7b00191","","","0.71073","MoKα","","0.0468","0.0363","","","0.0863","0.0922","","","","","","1.042","","","","has coordinates,has disorder","197227","2020-10-21","18:00:00",""
"4345881","37.581","0.005","37.581","0.005","24.268","0.005","90","0.005","90","0.005","120","0.005","29683","8","100","2","100","2","","","","","","","","6","R -3 :H","-R 3","148","","","","- C50 H44 Dy2 Mn4 N10 O26 -","- C50 H44 Dy2 Mn4 N10 O26 -","- C450 H396 Dy18 Mn36 N90 O234 -","9","0.5","","Savva, Maria; Skordi, Katerina; Fournet, Adeline D.; Thuijs, Annaliese E.; Christou, George; Perlepes, Spyros P.; Papatriantafyllopoulou, Constantina; Tasiopoulos, Anastasios J.","Heterometallic Mn(III)4Ln2 (Ln = Dy, Gd, Tb) Cross-Shaped Clusters and Their Homometallic Mn(III)4Mn(II)2 Analogues.","Inorganic chemistry","2017","56","10","5657","5668","10.1021/acs.inorgchem.7b00191","","","0.71073","MoKα","","0.0571","0.0458","","","0.1395","0.1468","","","","","","1.101","","","","has coordinates","197228","2020-10-21","18:00:00",""
"4345882","12.333","0.0008","30.364","0.002","26.7615","0.0017","90","","101.072","0.006","90","","9835.1","1.1","100","2","100","2","","","","","","","","5","I 1 2/m 1","-I 2y","12","","","","- C64 H52 Mn6 N16 O22 -","- C64 H52 Mn6 N16 O22 -","- C256 H208 Mn24 N64 O88 -","4","0.5","","Savva, Maria; Skordi, Katerina; Fournet, Adeline D.; Thuijs, Annaliese E.; Christou, George; Perlepes, Spyros P.; Papatriantafyllopoulou, Constantina; Tasiopoulos, Anastasios J.","Heterometallic Mn(III)4Ln2 (Ln = Dy, Gd, Tb) Cross-Shaped Clusters and Their Homometallic Mn(III)4Mn(II)2 Analogues.","Inorganic chemistry","2017","56","10","5657","5668","10.1021/acs.inorgchem.7b00191","","","0.71073","MoKα","","0.1292","0.0889","","","0.2197","0.2564","","","","","","0.927","","","","has coordinates","197229","2020-10-21","18:00:00",""
"4345883","9.1317","0.0002","22.7575","0.0003","18.4896","0.0003","90","","99.528","0.002","90","","3789.4","0.12","140","2","140","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C40 H44 Au F6 N4 P -","- C40 H44 Au F6 N4 P -","- C160 H176 Au4 F24 N16 P4 -","4","1","","Bertrand, Benoît; Fernandez-Cestau, Julio; Angulo, Jesus; Cominetti, Marco M. D.; Waller, Zoë A E; Searcey, Mark; O'Connell, Maria A; Bochmann, Manfred","Cytotoxicity of Pyrazine-Based Cyclometalated (C^N(pz)^C)Au(III) Carbene Complexes: Impact of the Nature of the Ancillary Ligand on the Biological Properties.","Inorganic chemistry","2017","56","10","5728","5740","10.1021/acs.inorgchem.7b00339","","x-ray","0.71073","MoKα","","0.099","0.0845","","","0.2238","0.2358","","","","","","1.046","","","","has coordinates","197230","2020-10-21","18:00:00",""
"4345884","13.9994","0.0003","15.4896","0.0003","15.7389","0.0003","90","","90","","90","","3412.9","0.12","123","","123","","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C44 H32 O4 P2 -","- C44 H32 O4 P2 -","- C176 H128 O16 P8 -","4","1","","Koiso, Naoyuki; Kitagawa, Yuichi; Nakanishi, Takayuki; Fushimi, Koji; Hasegawa, Yasuchika","Eu(III) Chiral Coordination Polymer with a Structural Transformation System.","Inorganic chemistry","2017","56","10","5741","5747","10.1021/acs.inorgchem.7b00337","","","0.71075","MoKα","","0.0314","0.0283","","","0.0728","0.0883","","","","","","1","","","","has coordinates","197231","2020-10-21","18:00:00",""
"4345885","12.4414","0.0003","22.5034","0.0006","22.5136","0.0006","113.418","0.002","105.753","0.002","90.132","0.002","5523.3","0.3","100","2","99.96","","","","","","","","","8","P -1","-P 1","2","","","","- C32 H46 B2 F8 N4 O Pd S2 -","- C32 H46 B2 F8 N4 O Pd S2 -","- C192 H276 B12 F48 N24 O6 Pd6 S12 -","6","3","","Liu, Yuan; Kean, Zachary S.; d'Aquino, Andrea I; Manraj, Yashin D.; Mendez-Arroyo, Jose; Mirkin, Chad A.","Palladium(II) Weak-Link Approach Complexes Bearing Hemilabile N-Heterocyclic Carbene-Thioether Ligands.","Inorganic chemistry","2017","56","10","5902","5910","10.1021/acs.inorgchem.7b00543","","","1.54178","CuKα","","0.0658","0.0541","","","0.1378","0.1482","","","","","","1.078","","","","has coordinates,has disorder","197232","2020-10-21","18:00:00",""
"4345886","15.4702","0.0008","15.4702","0.0008","12.3125","0.0006","90","","90","","90","","2946.7","0.3","100","2","100","2","","","","","","","","5","I 41 2 2","I 4bw 2bw","98","","","","- C11 H11 In N O6 -","- C11 H11 In N O6 -","- C88 H88 In8 N8 O48 -","8","0.5","","Sánchez-González, Elí; González-Zamora, Eduardo; Martínez-Otero, Diego; Jancik, Vojtech; Ibarra, Ilich A.","Bottleneck Effect of N,N-Dimethylformamide in InOF-1: Increasing CO2 Capture in Porous Coordination Polymers.","Inorganic chemistry","2017","56","10","5863","5872","10.1021/acs.inorgchem.7b00519","","","0.71073","MoKα","","0.0185","0.018","","","0.0493","0.0496","","","","","","1.125","","","","has coordinates,has disorder","197233","2020-10-21","18:00:00",""
"4345887","20.2322","0.0018","11.7843","0.0008","20.9683","0.0017","90","","111.413","0.005","90","","4654.2","0.7","100","1","100","1","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C36 H41 Br3 Dy N7 O17 Zn2 -","- C36 H41 Br3 Dy N7 O17 Zn2 -","- C144 H164 Br12 Dy4 N28 O68 Zn8 -","4","1","","Fondo, Matilde; Corredoira-Vázquez, Julio; García-Deibe, Ana M; Sanmartín-Matalobos, Jesús; Herrera, Juan Manuel; Colacio, Enrique","Designing Ligands to Isolate ZnLn and Zn2Ln Complexes: Field-Induced Single-Ion Magnet Behavior of the ZnDy, Zn2Dy, and Zn2Er Analogues.","Inorganic chemistry","2017","56","10","5646","5656","10.1021/acs.inorgchem.7b00165","","","0.71073","MoKα","","0.0476","0.031","","","0.0611","0.0667","","","","","","1.023","","","","has coordinates","197234","2020-10-21","18:00:00",""
"4345888","12.242","0.005","12.857","0.005","14.847","0.005","90.629","0.005","103.203","0.005","107.143","0.005","2166.3","1.4","100","2","100","2","","","","","","","","6","P -1","-P 1","2","","","","- C34 H38 Br3 N5 O12.5 Zn2 -","- C34 H38 Br3 N5 O12.5 Zn2 -","- C68 H76 Br6 N10 O25 Zn4 -","2","1","","Fondo, Matilde; Corredoira-Vázquez, Julio; García-Deibe, Ana M; Sanmartín-Matalobos, Jesús; Herrera, Juan Manuel; Colacio, Enrique","Designing Ligands to Isolate ZnLn and Zn2Ln Complexes: Field-Induced Single-Ion Magnet Behavior of the ZnDy, Zn2Dy, and Zn2Er Analogues.","Inorganic chemistry","2017","56","10","5646","5656","10.1021/acs.inorgchem.7b00165","","","0.71073","MoKα","","0.0828","0.0435","","","0.0962","0.1102","","","","","","1.04","","","","has coordinates,has disorder","197235","2020-10-21","18:00:00",""
"4345889","11.9064","0.0002","7.0859","0.0001","24.8955","0.0004","90","","95.6171","0.0016","90","","2090.29","0.06","150","2","150","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C19 H32 Cl2 N3 P Ru -","- C19 H32 Cl2 N3 P Ru -","- C76 H128 Cl8 N12 P4 Ru4 -","4","1","","Guerriero, Antonella; Oberhauser, Werner; Riedel, Tina; Peruzzini, Maurizio; Dyson, Paul J.; Gonsalvi, Luca","New Class of Half-Sandwich Ruthenium(II) Arene Complexes Bearing the Water-Soluble CAP Ligand as an in Vitro Anticancer Agent.","Inorganic chemistry","2017","56","10","5514","5518","10.1021/acs.inorgchem.7b00915","","","0.71069","MoKα","","0.0342","0.0265","","","0.0543","0.0575","","","","","","1.031","","","","has coordinates","197236","2020-10-21","18:00:00",""
"4345890","12.1766","0.0014","13.1172","0.0013","33.945","0.004","90","","90","","90","","5421.8","1","103","2","103","2","","","","","","","","6","P b c a","-P 2ac 2ab","61","","","","- C23 H32 B3 F8 N3 O2 -","- C23 H32 B3 F8 N3 O2 -","- C184 H256 B24 F64 N24 O16 -","8","1","","Kong, Lingbing; Lu, Wei; Yongxin, Li; Ganguly, Rakesh; Kinjo, Rei","Formation of Boron-Main-Group Element Bonds by Reactions with a Tricoordinate Organoboron L2PhB: (L = Oxazol-2-ylidene).","Inorganic chemistry","2017","56","10","5586","5593","10.1021/acs.inorgchem.6b02993","","","0.71073","MoKα","","0.1327","0.0606","","","0.1164","0.1424","","","","","","1.009","","","","has coordinates","197237","2020-10-21","18:00:00",""
"4345891","9.1433","0.0018","6.2477","0.0012","18.463","0.006","90","","105.55","0.03","90","","1016.1","0.5","293","2","293","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C26 H18 N4 O2 -","- C26 H18 N4 O2 -","- C52 H36 N8 O4 -","2","0.5","","Wang, Yazhen; Yu, Feihu; Han, Xiao; Li, Ming; Tong, Yue; Ding, Jie; Hou, Hongwei","From Surprising Solvothermal Reaction to Uncommon Zinc(II)-Catalyzed Aromatic C-H Activation Reaction for Direct Nitroquinoline Synthesis.","Inorganic chemistry","2017","56","10","5953","5958","10.1021/acs.inorgchem.7b00653","","","0.71073","MoKα","","0.1233","0.0989","","","0.3248","0.3554","","","","","","1.01","","","","has coordinates","197238","2020-10-21","18:00:00",""
"4345892","11.4065","0.0003","15.6419","0.0005","21.1122","0.0007","90","","91.21","0.004","90","","3766","0.2","133","2","133","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C29 H32 Fe6 N2 O17 -","- C29 H32 Fe6 N2 O17 -","- C116 H128 Fe24 N8 O68 -","4","2","","Kuppuswamy, Subramaniam; Wofford, Joshua D.; Joseph, Chris; Xie, Zhu-Lin; Ali, Azim K.; Lynch, Vincent M.; Lindahl, Paul A.; Rose, Michael J.","Structures, Interconversions, and Spectroscopy of Iron Carbonyl Clusters with an Interstitial Carbide: Localized Metal Center Reduction by Overall Cluster Oxidation.","Inorganic chemistry","2017","56","10","5998","6012","10.1021/acs.inorgchem.7b00741","","","0.71073","MoKα","","0.0402","0.0352","","","0.0746","0.0773","","","","","","1.054","","","","has coordinates","197239","2020-10-21","18:00:00",""
"4345893","11.7157","0.0004","11.7157","0.0004","16.8663","0.0006","90","","90","","90","","2315.03","0.14","133","2","133","2","","","","","","","","5","P 42/n n m","-P 4ac 2bc","134","","","","- C33 H40 Fe6 N2 O16 -","- C33 H40 Fe6 N2 O16 -","- C66 H80 Fe12 N4 O32 -","2","","","Kuppuswamy, Subramaniam; Wofford, Joshua D.; Joseph, Chris; Xie, Zhu-Lin; Ali, Azim K.; Lynch, Vincent M.; Lindahl, Paul A.; Rose, Michael J.","Structures, Interconversions, and Spectroscopy of Iron Carbonyl Clusters with an Interstitial Carbide: Localized Metal Center Reduction by Overall Cluster Oxidation.","Inorganic chemistry","2017","56","10","5998","6012","10.1021/acs.inorgchem.7b00741","","","0.71073","MoKα","","0.0468","0.0345","","","0.0894","0.1087","","","","","","1.339","","","","has coordinates","197239","2020-10-21","18:00:00",""
"4345894","11.0889","0.0016","14.517","0.002","18.902","0.003","90","","101.209","0.004","90","","2984.8","0.8","100","2","100","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C65 H40 Fe6 O16 P2 -","- C65 H40 Fe6 O16 P2 -","- C130 H80 Fe12 O32 P4 -","2","1","","Kuppuswamy, Subramaniam; Wofford, Joshua D.; Joseph, Chris; Xie, Zhu-Lin; Ali, Azim K.; Lynch, Vincent M.; Lindahl, Paul A.; Rose, Michael J.","Structures, Interconversions, and Spectroscopy of Iron Carbonyl Clusters with an Interstitial Carbide: Localized Metal Center Reduction by Overall Cluster Oxidation.","Inorganic chemistry","2017","56","10","5998","6012","10.1021/acs.inorgchem.7b00741","","","0.71073","MoKα","","0.0383","0.0363","","","0.0911","0.0924","","","","","","1.067","","","","has coordinates","197239","2020-10-21","18:00:00",""
"4345895","16.599","0.004","8.89","0.0019","29.696","0.007","90","","105.337","0.008","90","","4226","1.7","100","2","100","2","","","","","","","","3","C 1 2/c 1","-C 2yc","15","","","","- C16 Fe5 O15 -","- C16 Fe5 O15 -","- C128 Fe40 O120 -","8","1","","Kuppuswamy, Subramaniam; Wofford, Joshua D.; Joseph, Chris; Xie, Zhu-Lin; Ali, Azim K.; Lynch, Vincent M.; Lindahl, Paul A.; Rose, Michael J.","Structures, Interconversions, and Spectroscopy of Iron Carbonyl Clusters with an Interstitial Carbide: Localized Metal Center Reduction by Overall Cluster Oxidation.","Inorganic chemistry","2017","56","10","5998","6012","10.1021/acs.inorgchem.7b00741","","","0.71073","MoKα","","0.0785","0.066","","","0.1313","0.137","","","","","","1.155","","","","has coordinates","197239","2020-10-21","18:00:00",""
"4345896","19.5579","0.0013","10.8967","0.001","28.9033","0.0016","90","","96.463","0.006","90","","6120.6","0.8","100","2","100","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C23 H24 Fe5 N2 O14 -","- C23 H24 Fe5 N2 O14 -","- C184 H192 Fe40 N16 O112 -","8","1","","Kuppuswamy, Subramaniam; Wofford, Joshua D.; Joseph, Chris; Xie, Zhu-Lin; Ali, Azim K.; Lynch, Vincent M.; Lindahl, Paul A.; Rose, Michael J.","Structures, Interconversions, and Spectroscopy of Iron Carbonyl Clusters with an Interstitial Carbide: Localized Metal Center Reduction by Overall Cluster Oxidation.","Inorganic chemistry","2017","56","10","5998","6012","10.1021/acs.inorgchem.7b00741","","","1.54184","CuKα","","0.1579","0.1104","","","0.2773","0.332","","","","","","1.054","","","","has coordinates,has disorder","197239","2020-10-21","18:00:00",""
"4345897","6.325","0.003","4.939","0.002","12.944","0.006","90","","101.616","0.005","90","","396.1","0.3","296","2","296","2","","","","","","","","4","P 1 2/n 1","-P 2yac","13","","","","- C4 Ag Au N4 -","- C4 Ag Au N4 -","- C8 Ag2 Au2 N8 -","2","0.5","","Ovens, Jeffrey S.; Leznoff, Daniel B.","Thermal Expansion Behavior of M(I)[AuX2(CN)2]-Based Coordination Polymers (M = Ag, Cu; X = CN, Cl, Br).","Inorganic chemistry","2017","56","13","7332","7343","10.1021/acs.inorgchem.6b03153","","","0.71073","MoKα","","0.0456","0.0365","","","0.0994","0.1108","","","","","","1.039","","","","has coordinates","211179","2020-10-21","18:00:00",""
"4345898","10.438","0.002","11.775","0.002","17.966","0.005","90","","119.2","0.02","90","","1927.5","0.8","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C20 H14 Co N4 O4 -","- C20 H14 Co N4 O4 -","- C80 H56 Co4 N16 O16 -","4","1","","Zou, Kang-Yu; Liu, Yi-Chen; Jiang, Yi-Fan; Yu, Cheng-Yan; Yue, Man-Li; Li, Zuo-Xi","Benzoate Acid-Dependent Lattice Dimension of Co-MOFs and MOF-Derived CoS2@CNTs with Tunable Pore Diameters for Supercapacitors.","Inorganic chemistry","2017","56","11","6184","6196","10.1021/acs.inorgchem.7b00200","","","0.71073","MoKα","","0.0552","0.0442","","","0.0849","0.0882","","","","","","1.214","","","","has coordinates","198365","2020-10-21","18:00:00",""
"4345899","11.03","0.009","12.028","0.009","16.11","0.012","102.985","0.012","92.832","0.013","111.39","0.013","1919","3","113","2","113","2","","","","","","","","5","P -1","-P 1","2","","","","- C40 H28 Co2 N8 O8 -","- C40 H28 Co2 N8 O8 -","- C80 H56 Co4 N16 O16 -","2","1","","Zou, Kang-Yu; Liu, Yi-Chen; Jiang, Yi-Fan; Yu, Cheng-Yan; Yue, Man-Li; Li, Zuo-Xi","Benzoate Acid-Dependent Lattice Dimension of Co-MOFs and MOF-Derived CoS2@CNTs with Tunable Pore Diameters for Supercapacitors.","Inorganic chemistry","2017","56","11","6184","6196","10.1021/acs.inorgchem.7b00200","","","0.71073","MoKα","","0.1252","0.1044","","","0.2715","0.2953","","","","","","1.051","","","","has coordinates","288255","2023-12-12","15:41:06",""
"4345900","8.7625","0.0018","9.7232","0.0019","12.622","0.003","71.18","0.03","89.07","0.03","79.75","0.03","1000.7","0.4","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C40 H34 Co2 N8 O11 -","- C40 H34 Co2 N8 O11 -","- C40 H34 Co2 N8 O11 -","1","0.5","","Zou, Kang-Yu; Liu, Yi-Chen; Jiang, Yi-Fan; Yu, Cheng-Yan; Yue, Man-Li; Li, Zuo-Xi","Benzoate Acid-Dependent Lattice Dimension of Co-MOFs and MOF-Derived CoS2@CNTs with Tunable Pore Diameters for Supercapacitors.","Inorganic chemistry","2017","56","11","6184","6196","10.1021/acs.inorgchem.7b00200","","","0.71073","MoKα","","0.0426","0.0353","","","0.0786","0.0816","","","","","","1.072","","","","has coordinates","198365","2020-10-21","18:00:00",""
"4345901","19.473","0.003","14.0263","0.0014","15.034","0.002","90","","107.686","0.011","90","","3912.2","0.9","150","2","150","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C44 H44 Co N6 O8 -","- C44 H44 Co N6 O8 -","- C176 H176 Co4 N24 O32 -","4","0.5","","Peng, Yan; Mereacre, Valeriu; Anson, Christopher E.; Zhang, Yiquan; Bodenstein, Tilmann; Fink, Karin; Powell, Annie K.","Field-Induced Co(II) Single-Ion Magnets with mer-Directing Ligands but Ambiguous Coordination Geometry.","Inorganic chemistry","2017","56","11","6056","6066","10.1021/acs.inorgchem.6b02743","","","0.71073","MoKα","","0.0718","0.0472","","","0.102","0.1086","","","","","","0.963","","","","has coordinates","198366","2020-10-21","18:00:00",""
"4345902","14.273","0.003","14.273","0.003","18.451","0.005","90","","90","","90","","3758.8","1.5","260","","260","","","","","","","","","5","P 4/n c c","-P 4a 2ac","130","","","","- C38 H28 Mn3 N10 O4 -","- C38 H28 Mn3 N10 O4 -","- C152 H112 Mn12 N40 O16 -","4","","","Ohtani, Ryo; Grosjean, Arnaud; Ishikawa, Ryuta; Yamamoto, Riho; Nakamura, Masaaki; Clegg, Jack K.; Hayami, Shinya","Zero in-Plane Thermal Expansion in Guest-Tunable 2D Coordination Polymers.","Inorganic chemistry","2017","56","11","6225","6233","10.1021/acs.inorgchem.7b00282","","","0.71075","MoKα","","0.0877","0.0739","","","0.1515","0.1588","","","","","","1.212","","","","has coordinates","198367","2020-10-21","18:00:00",""
"4345903","12.614","0.004","17.491","0.005","17.517","0.005","93.119","0.004","103.06","0.004","106.749","0.004","3575.4","1.8","100","2","100","2","","","","","","","","6","P -1","-P 1","2","","","","- C32 H49 N5 O3 Si2 U -","- C32 H49 N5 O3 Si2 U -","- C128 H196 N20 O12 Si8 U4 -","4","2","","Pedrick, Elizabeth A.; Assefa, Mikiyas K.; Wakefield, Megan E.; Wu, Guang; Hayton, Trevor W.","Uranyl Coordination by the 14-Membered Macrocycle Dibenzotetramethyltetraaza[14]annulene.","Inorganic chemistry","2017","56","11","6638","6644","10.1021/acs.inorgchem.7b00700","","","0.71073","MoKα","","0.0956","0.046","","","0.095","0.1164","","","","","","0.896","","","","has coordinates","198368","2020-10-21","18:00:00",""
"4345904","8.538","0.007","9.684","0.007","11.786","0.009","91.799","0.015","94.571","0.015","90.844","0.015","970.8","1.3","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","","","- C44 H46 N8 O2 U -","- C44 H46 N8 O2 U -","- C44 H46 N8 O2 U -","1","0.5","","Pedrick, Elizabeth A.; Assefa, Mikiyas K.; Wakefield, Megan E.; Wu, Guang; Hayton, Trevor W.","Uranyl Coordination by the 14-Membered Macrocycle Dibenzotetramethyltetraaza[14]annulene.","Inorganic chemistry","2017","56","11","6638","6644","10.1021/acs.inorgchem.7b00700","","","0.71073","MoKα","","0.1252","0.0781","","","0.1697","0.1853","","","","","","1.017","","","","has coordinates","198368","2020-10-21","18:00:00",""
"4345905","24.608","0.014","19.504","0.012","12.206","0.007","90","","90","","90","","5858","6","100","2","100","2","","","","","","","","8","P n m a","-P 2ac 2n","62","","","","- C54 H74 D12 Li2 N6 O4 Si4 U -","- C54 H74 D12 Li2 N6 O4 Si4 U -","- C216 H296 D48 Li8 N24 O16 Si16 U4 -","4","0.5","","Pedrick, Elizabeth A.; Assefa, Mikiyas K.; Wakefield, Megan E.; Wu, Guang; Hayton, Trevor W.","Uranyl Coordination by the 14-Membered Macrocycle Dibenzotetramethyltetraaza[14]annulene.","Inorganic chemistry","2017","56","11","6638","6644","10.1021/acs.inorgchem.7b00700","","","0.71073","MoKα","","0.2212","0.129","","","0.3079","0.3594","","","","","","1.059","","","","has coordinates","198368","2020-10-21","18:00:00",""
"4345906","7.8901","0.0013","19.614","0.003","12.585","0.0018","90","","106.798","0.006","90","","1864.5","0.5","100","2","100","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C12 H28 Ge N2 S2 Te -","- C12 H28 Ge N2 S2 Te -","- C48 H112 Ge4 N8 S8 Te4 -","4","1","","Kim, Hyo-Suk; Jung, Eun Ae; Han, Seong Ho; Han, Jeong Hwan; Park, Bo Keun; Kim, Chang Gyoun; Chung, Taek-Mo","Germanium Compounds Containing Ge═E Double Bonds (E = S, Se, Te) as Single-Source Precursors for Germanium Chalcogenide Materials.","Inorganic chemistry","2017","56","7","4084","4092","10.1021/acs.inorgchem.6b02697","","","0.71073","MoKα","","0.0729","0.0444","","","0.0958","0.1067","","","","","","1.004","","","","has coordinates","199572","2020-10-21","18:00:00",""
"4345907","7.8523","0.0003","19.313","0.0006","12.2445","0.0004","90","","106.469","0.002","90","","1780.71","0.11","296","1","296","1","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C12 H28 Ge N2 S2 Se -","- C12 H28 Ge N2 S2 Se -","- C48 H112 Ge4 N8 S8 Se4 -","4","1","","Kim, Hyo-Suk; Jung, Eun Ae; Han, Seong Ho; Han, Jeong Hwan; Park, Bo Keun; Kim, Chang Gyoun; Chung, Taek-Mo","Germanium Compounds Containing Ge═E Double Bonds (E = S, Se, Te) as Single-Source Precursors for Germanium Chalcogenide Materials.","Inorganic chemistry","2017","56","7","4084","4092","10.1021/acs.inorgchem.6b02697","","","0.71073","MoKα","","0.0237","0.0193","","","0.049","0.0507","","","","","","1.044","","","","has coordinates","199572","2020-10-21","18:00:00",""
"4345908","10.1859","0.0005","11.6479","0.0007","14.1573","0.0007","90","","91.609","0.003","90","","1679.02","0.15","120","2","120","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C16 H24 Ag2 B12 F12 N8 -","- C16 H24 Ag2 B12 F12 N8 -","- C32 H48 Ag4 B24 F24 N16 -","2","0.5","","Peryshkov, Dmitry V.; Strauss, Steven H.","Exceptional Structural Compliance of the B12F12(2-) Superweak Anion.","Inorganic chemistry","2017","56","7","4072","4083","10.1021/acs.inorgchem.7b00051","","","0.71073","MoKα","","0.0726","0.0465","","","0.0952","0.1041","","","","","","1.051","","","","has coordinates,has disorder","199573","2020-10-21","18:00:00",""
"4345909","11.4426","0.0007","13.6213","0.0007","15.6534","0.0008","90","","90","","90","","2439.8","0.2","120","2","120","2","","","","","","","","6","C c c m","-C 2 2c","66","","","","- C8 H12 Ag2 B12 F12 N4 -","- C8 H12 Ag2 B12 F12 N4 -","- C32 H48 Ag8 B48 F48 N16 -","4","0.25","","Peryshkov, Dmitry V.; Strauss, Steven H.","Exceptional Structural Compliance of the B12F12(2-) Superweak Anion.","Inorganic chemistry","2017","56","7","4072","4083","10.1021/acs.inorgchem.7b00051","","","0.71073","MoKα","","0.034","0.0264","","","0.0709","0.0766","","","","","","1.037","","","","has coordinates","199573","2020-10-21","18:00:00",""
"4345910","11.4119","0.0003","12.5448","0.0003","16.982","0.0004","98.977","0.001","99.16","0.001","114.745","0.001","2111.47","0.09","150","2","150","2","","","","","","","","6","P -1","-P 1","2","","","","- C98 H76 Cu2 N6 P4 Pt2 -","- C98 H76 Cu2 N6 P4 Pt2 -","- C98 H76 Cu2 N6 P4 Pt2 -","1","0.5","","Schneider, Leon; Sivchik, Vasily; Chung, Kun-You; Chen, Yi-Ting; Karttunen, Antti J.; Chou, Pi-Tai; Koshevoy, Igor O.","Cyclometalated Platinum(II) Cyanometallates: Luminescent Blocks for Coordination Self-Assembly.","Inorganic chemistry","2017","","","","","10.1021/acs.inorgchem.7b00006","","","0.71073","MoKα","","0.0338","0.0247","","","0.0496","0.0521","","","","","","1.031","","","","has coordinates,has disorder","198943","2020-10-21","18:00:00",""
"4345911","11.2565","0.0002","12.6777","0.0002","17.0873","0.0003","98.196","0.001","97.931","0.001","114.107","0.001","2150.48","0.07","150","2","150","2","","","","","","","","6","P -1","-P 1","2","","","","- C98 H76 Ag2 N6 P4 Pt2 -","- C98 H76 Ag2 N6 P4 Pt2 -","- C98 H76 Ag2 N6 P4 Pt2 -","1","0.5","","Schneider, Leon; Sivchik, Vasily; Chung, Kun-You; Chen, Yi-Ting; Karttunen, Antti J.; Chou, Pi-Tai; Koshevoy, Igor O.","Cyclometalated Platinum(II) Cyanometallates: Luminescent Blocks for Coordination Self-Assembly.","Inorganic chemistry","2017","","","","","10.1021/acs.inorgchem.7b00006","","","0.71073","MoKα","","0.0344","0.0247","","","0.0454","0.0481","","","","","","1.013","","","","has coordinates,has disorder","198943","2020-10-21","18:00:00",""
"4345912","9.2122","0.0005","19.3491","0.001","17.0238","0.0009","90","","93.1","0.002","90","","3030","0.3","150","2","150","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C63 H48 Ag2 Cl2 N6 P2 Pt2 -","- C63 H48 Ag2 Cl2 N6 P2 Pt2 -","- C126 H96 Ag4 Cl4 N12 P4 Pt4 -","2","0.5","","Schneider, Leon; Sivchik, Vasily; Chung, Kun-You; Chen, Yi-Ting; Karttunen, Antti J.; Chou, Pi-Tai; Koshevoy, Igor O.","Cyclometalated Platinum(II) Cyanometallates: Luminescent Blocks for Coordination Self-Assembly.","Inorganic chemistry","2017","","","","","10.1021/acs.inorgchem.7b00006","","","0.71073","MoKα","","0.028","0.025","","","0.0707","0.0725","","","","","","1.076","","","","has coordinates,has disorder","198943","2020-10-21","18:00:00",""
"4345913","9.6064","0.0009","12.0144","0.0011","13.8676","0.0013","83.922","0.002","77.016","0.002","71.732","0.002","1479.9","0.2","150","2","150","2","","","","","","","","7","P -1","-P 1","2","","","","- C64 H50 Ag2 Cl4 N6 P2 Pt2 -","- C64 H50 Ag2 Cl4 N6 P2 Pt2 -","- C64 H50 Ag2 Cl4 N6 P2 Pt2 -","1","0.5","","Schneider, Leon; Sivchik, Vasily; Chung, Kun-You; Chen, Yi-Ting; Karttunen, Antti J.; Chou, Pi-Tai; Koshevoy, Igor O.","Cyclometalated Platinum(II) Cyanometallates: Luminescent Blocks for Coordination Self-Assembly.","Inorganic chemistry","2017","","","","","10.1021/acs.inorgchem.7b00006","","","0.71073","MoKα","","0.0206","0.0181","","","0.0417","0.0426","","","","","","1.029","","","","has coordinates","198943","2020-10-21","18:00:00",""
"4345914","12.1032","0.0009","12.6537","0.001","16.1583","0.0012","69.171","0.002","75.388","0.002","65.969","0.001","2095.6","0.3","150","2","150","","","","","","","","","6","P -1","-P 1","2","","","","- C100 H80 Cu2 N6 P4 Pt2 -","- C100 H80 Cu2 N6 P4 Pt2 -","- C100 H80 Cu2 N6 P4 Pt2 -","1","0.5","","Schneider, Leon; Sivchik, Vasily; Chung, Kun-You; Chen, Yi-Ting; Karttunen, Antti J.; Chou, Pi-Tai; Koshevoy, Igor O.","Cyclometalated Platinum(II) Cyanometallates: Luminescent Blocks for Coordination Self-Assembly.","Inorganic chemistry","2017","","","","","10.1021/acs.inorgchem.7b00006","","","0.71073","MoKα","","0.0256","0.0209","","","0.0425","0.0437","","","","","","1.02","","","","has coordinates","198943","2020-10-21","18:00:00",""
"4345915","11.721","0.0008","12.9305","0.001","16.4457","0.0012","70.328","0.003","76.378","0.003","66.472","0.003","2137.1","0.3","150","2","150","","","","","","","","","6","P -1","-P 1","2","","","","- C100 H80 Ag2 N6 P4 Pt2 -","- C100 H80 Ag2 N6 P4 Pt2 -","- C100 H80 Ag2 N6 P4 Pt2 -","1","0.5","","Schneider, Leon; Sivchik, Vasily; Chung, Kun-You; Chen, Yi-Ting; Karttunen, Antti J.; Chou, Pi-Tai; Koshevoy, Igor O.","Cyclometalated Platinum(II) Cyanometallates: Luminescent Blocks for Coordination Self-Assembly.","Inorganic chemistry","2017","","","","","10.1021/acs.inorgchem.7b00006","","","0.71073","MoKα","","0.0362","0.0261","","","0.0393","0.0406","","","","","","1.022","","","","has coordinates","198943","2020-10-21","18:00:00",""
"4345916","9.802","0.0002","14.8584","0.0004","19.2882","0.0005","90","","104.034","0.001","90","","2725.32","0.12","150","2","150","","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C64 H50 Ag2 N6 P2 Pt2 -","- C64 H50 Ag2 N6 P2 Pt2 -","- C128 H100 Ag4 N12 P4 Pt4 -","2","0.5","","Schneider, Leon; Sivchik, Vasily; Chung, Kun-You; Chen, Yi-Ting; Karttunen, Antti J.; Chou, Pi-Tai; Koshevoy, Igor O.","Cyclometalated Platinum(II) Cyanometallates: Luminescent Blocks for Coordination Self-Assembly.","Inorganic chemistry","2017","","","","","10.1021/acs.inorgchem.7b00006","","","0.71073","MoKα","","0.0309","0.0218","","","0.0432","0.0456","","","","","","1.037","","","","has coordinates","198943","2020-10-21","18:00:00",""
"4345917","11.409","0.002","12.648","0.003","17.201","0.004","99.16","0.006","99.009","0.006","115.008","0.006","2150.1","0.8","150","2","150","2","","","","","","","","7","P -1","-P 1","2","","","","- C98 H72 Cu2 F4 N6 P4 Pt2 -","- C98 H72 Cu2 F4 N6 P4 Pt2 -","- C98 H72 Cu2 F4 N6 P4 Pt2 -","1","0.5","","Schneider, Leon; Sivchik, Vasily; Chung, Kun-You; Chen, Yi-Ting; Karttunen, Antti J.; Chou, Pi-Tai; Koshevoy, Igor O.","Cyclometalated Platinum(II) Cyanometallates: Luminescent Blocks for Coordination Self-Assembly.","Inorganic chemistry","2017","","","","","10.1021/acs.inorgchem.7b00006","","","0.71073","MoKα","","0.0365","0.026","","","0.0525","0.0552","","","","","","1.028","","","","has coordinates,has disorder","198943","2020-10-21","18:00:00",""
"4345918","11.2906","0.0004","12.7098","0.0005","17.298","0.0006","98.394","0.002","97.515","0.002","114.462","0.002","2184.27","0.15","150","2","150","2","","","","","","","","7","P -1","-P 1","2","","","","- C98 H72 Ag2 F4 N6 P4 Pt2 -","- C98 H72 Ag2 F4 N6 P4 Pt2 -","- C98 H72 Ag2 F4 N6 P4 Pt2 -","1","0.5","","Schneider, Leon; Sivchik, Vasily; Chung, Kun-You; Chen, Yi-Ting; Karttunen, Antti J.; Chou, Pi-Tai; Koshevoy, Igor O.","Cyclometalated Platinum(II) Cyanometallates: Luminescent Blocks for Coordination Self-Assembly.","Inorganic chemistry","2017","","","","","10.1021/acs.inorgchem.7b00006","","","0.71073","MoKα","","0.0322","0.0244","","","0.0566","0.0591","","","","","","1.046","","","","has coordinates,has disorder","198943","2020-10-21","18:00:00",""
"4345919","13.5619","0.0006","17.4742","0.0009","18.5866","0.0008","109.774","0.003","101.01","0.004","94.444","0.004","4020.3","0.3","200","2","200","2","","","","","","","","6","P -1","-P 1","2","","","","- C171 H147 Cl3 N20 O12 Ru4 -","- C171 H147 Cl3 N20 O12 Ru4 -","- C171 H147 Cl3 N20 O12 Ru4 -","1","0.5","","Chatterjee, Tamal; Molnar, Brian; Theophall, G. G.; Lee, Way-Zen; Lakshmi, K. V.; Ravikanth, Mangalampalli","Calixsmaragdyrin: A Versatile Ligand for Coordination Complexes.","Inorganic chemistry","2017","","","","","10.1021/acs.inorgchem.6b02225","","","0.71073","MoKα","","0.1702","0.077","","","0.1829","0.227","","","","","","1.022","","","","has coordinates,has disorder","198944","2020-10-21","18:00:00",""
"4345920","13.5132","0.001","8.61","0.0006","19.7557","0.0014","90","","104.959","0.001","90","","2220.7","0.3","185","2","185","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C32 H72 Cl2 Rh2 S4 -","- C32 H72 Cl2 Rh2 S4 -","- C64 H144 Cl4 Rh4 S8 -","2","0.5","","Olsen, Matthew T.; Rekken, Brian D.; Eldred, Donald V.","Studies on the Activation and Hydrosilylation Catalysis of RhCl3(Bu2S)3.","Inorganic chemistry","2017","","","","","10.1021/acs.inorgchem.7b00029","","","0.71073","MoKα","","0.0522","0.0296","","","0.0641","0.0723","","","","","","1.003","","","","has coordinates,has disorder","198945","2020-10-21","18:00:00",""
"4345921","9.0711","0.0005","9.9856","0.0005","16.0049","0.0008","79.986","0.004","85.336","0.004","64.538","0.005","1288.94","0.13","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C15 H33 I7 N2 Pb2 -","- C8 H11 I7 N5 Pb2 -","- C16 H22 I14 N10 Pb4 -","2","1","","Que, Chen-Jie; Mo, Chong-Jiao; Li, Zhao-Qi; Zhang, Guang-Lin; Zhu, Qin-Yu; Dai, Jie","Perovskite-Like Organic-Inorganic Hybrid Lead Iodide with a Large Organic Cation Incorporated within the Layers.","Inorganic chemistry","2017","","","","","10.1021/acs.inorgchem.6b02550","","","0.71073","MoKα","","0.0737","0.0614","","","0.146","0.1603","","","","","","1.048","","","","has coordinates","198946","2020-10-21","18:00:00",""
"4345922","8.7412","0.0003","23.776","0.0006","24.6736","0.0007","90","","90","","90","","5127.9","0.3","173","2","173","","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C23.5 H22 N3 O10.5 Tb -","- C23.5 H22 N3 O10.5 Tb -","- C188 H176 N24 O84 Tb8 -","8","1","","Ye, Jia-Wen; Lin, Jiao-Min; Mo, Zong-Wen; He, Chun-Ting; Zhou, Hao-Long; Zhang, Jie-Peng; Chen, Xiao-Ming","Mixed-Lanthanide Porous Coordination Polymers Showing Range-Tunable Ratiometric Luminescence for O2 Sensing.","Inorganic chemistry","2017","","","","","10.1021/acs.inorgchem.7b00252","","","1.54178","CuKα","","0.0679","0.0599","","","0.1616","0.1664","","","","","","1.062","","","","has coordinates,has disorder","198947","2020-10-21","18:00:00",""
"4345923","12.344","0.0002","8.29446","0.00013","23.7201","0.0005","90","","90","","90","","2428.63","0.07","173","2","173","2","","","","","","","","5","P b c m","-P 2c 2b","57","","","","- C23 H14 N3 O6 Tb -","- C23 H14 N3 O6 Tb -","- C92 H56 N12 O24 Tb4 -","4","0.5","","Ye, Jia-Wen; Lin, Jiao-Min; Mo, Zong-Wen; He, Chun-Ting; Zhou, Hao-Long; Zhang, Jie-Peng; Chen, Xiao-Ming","Mixed-Lanthanide Porous Coordination Polymers Showing Range-Tunable Ratiometric Luminescence for O2 Sensing.","Inorganic chemistry","2017","","","","","10.1021/acs.inorgchem.7b00252","","","1.54184","CuKα","","0.0422","0.0404","","","0.115","0.1164","","","","","","1.029","","","","has coordinates,has disorder","198947","2020-10-21","18:00:00",""
"4345924","8.5937","0.0002","24.2425","0.0007","24.6767","0.0006","90","","90","","90","","5141","0.2","173","2","173","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C23 H24 N3 O11 Tb -","- C23 H24 N3 O11 Tb -","- C184 H192 N24 O88 Tb8 -","8","1","","Ye, Jia-Wen; Lin, Jiao-Min; Mo, Zong-Wen; He, Chun-Ting; Zhou, Hao-Long; Zhang, Jie-Peng; Chen, Xiao-Ming","Mixed-Lanthanide Porous Coordination Polymers Showing Range-Tunable Ratiometric Luminescence for O2 Sensing.","Inorganic chemistry","2017","","","","","10.1021/acs.inorgchem.7b00252","","","1.54184","CuKα","","0.0358","0.0313","","","0.0855","0.0882","","","","","","1.097","","","","has coordinates","198947","2020-10-21","18:00:00",""
"4345925","18.1261","0.0007","8.5024","0.0003","18.9621","0.0008","90","","109.862","0.002","90","","2748.51","0.19","100","2","100","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C36 H26 As2 -","- C36 H26 As2 -","- C144 H104 As8 -","4","1","","Gupta, Arvind Kumar; Akkarasamiyo, Sunisa; Orthaber, Andreas","Rich Coordination Chemistry of π-Acceptor Dibenzoarsole Ligands.","Inorganic chemistry","2017","56","8","4505","4512","10.1021/acs.inorgchem.7b00100","","","0.71073","MoKα","","0.0812","0.0519","","","0.1014","0.114","","","","","","1.013","","","","has coordinates","199571","2020-10-21","18:00:00",""
"4345926","18.3937","0.0008","9.7569","0.0005","26.0287","0.0013","90","","98.622","0.003","90","","4618.5","0.4","100","2","100","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C40 H30 As2 Cl14 Pd -","- C40 H30 As2 Cl14 Pd -","- C160 H120 As8 Cl56 Pd4 -","4","1","","Gupta, Arvind Kumar; Akkarasamiyo, Sunisa; Orthaber, Andreas","Rich Coordination Chemistry of π-Acceptor Dibenzoarsole Ligands.","Inorganic chemistry","2017","56","8","4505","4512","10.1021/acs.inorgchem.7b00100","","","0.71073","MoKα","","0.0898","0.0504","","","0.1004","0.1155","","","","","","1.018","","","","has coordinates","199571","2020-10-21","18:00:00",""
"4345927","14.1453","0.0013","10.4565","0.001","20.0092","0.0018","90","","104.462","0.002","90","","2865.8","0.5","100","2","100","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C36 H24 As2 Cl2 Pt -","- C36 H24 As2 Cl2 Pt -","- C144 H96 As8 Cl8 Pt4 -","4","0.5","","Gupta, Arvind Kumar; Akkarasamiyo, Sunisa; Orthaber, Andreas","Rich Coordination Chemistry of π-Acceptor Dibenzoarsole Ligands.","Inorganic chemistry","2017","56","8","4505","4512","10.1021/acs.inorgchem.7b00100","","","0.71073","MoKα","","0.0395","0.0295","","","0.062","0.0649","","","","","","1.027","","","","has coordinates","199571","2020-10-21","18:00:00",""
"4345928","14.0542","0.0002","22.2862","0.0004","18.7418","0.0003","90","","91.8186","0.0015","90","","5867.25","0.16","173","2","173","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C59 H68 Cu2 F12 N4 -","- C59 H68 Cu2 F12 N4 -","- C236 H272 Cu8 F48 N16 -","4","1","","Hicken, Alexandra; White, Andrew J. P.; Crimmin, Mark R.","Reversible Coordination of Boron-, Aluminum-, Zinc-, Magnesium-, and Calcium-Hydrogen Bonds to Bent {CuL2} Fragments: Heavy σ Complexes of the Lightest Coinage Metal.","Inorganic chemistry","2017","56","15","8669","8682","10.1021/acs.inorgchem.7b00182","","","0.71073","MoKα","","0.0608","0.0397","","","0.095","0.1081","","","","","","1.024","","","","has coordinates,has disorder","200656","2020-10-21","18:00:00",""
"4345929","8.53577","0.00017","18.8782","0.0004","19.0194","0.0004","90","","101.409","0.002","90","","3004.23","0.11","173","2","173","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C29 H33 B Cu F6 N3 -","- C29 H33 B Cu F6 N3 -","- C116 H132 B4 Cu4 F24 N12 -","4","1","","Hicken, Alexandra; White, Andrew J. P.; Crimmin, Mark R.","Reversible Coordination of Boron-, Aluminum-, Zinc-, Magnesium-, and Calcium-Hydrogen Bonds to Bent {CuL2} Fragments: Heavy σ Complexes of the Lightest Coinage Metal.","Inorganic chemistry","2017","56","15","8669","8682","10.1021/acs.inorgchem.7b00182","","","1.54184","CuKα","","0.0511","0.0387","","","0.0951","0.1058","","","","","","1.04","","","","has coordinates","200656","2020-10-21","18:00:00",""
"4345930","11.2064","0.0004","12.6573","0.0005","19.4151","0.0007","87.006","0.003","88.111","0.003","67.584","0.004","2542.08","0.18","173","2","173","2","","","","","","","","6","P -1","-P 1","2","","","","- C52 H65 Cu F6 N4 Zn -","- C52 H65 Cu F6 N4 Zn -","- C104 H130 Cu2 F12 N8 Zn2 -","2","1","","Hicken, Alexandra; White, Andrew J. P.; Crimmin, Mark R.","Reversible Coordination of Boron-, Aluminum-, Zinc-, Magnesium-, and Calcium-Hydrogen Bonds to Bent {CuL2} Fragments: Heavy σ Complexes of the Lightest Coinage Metal.","Inorganic chemistry","2017","56","15","8669","8682","10.1021/acs.inorgchem.7b00182","","","1.54184","CuKα","","0.0466","0.0356","","","0.0863","0.0935","","","","","","1.018","","","","has coordinates","200656","2020-10-21","18:00:00",""
"4345931","15.5618","0.0008","14.1127","0.0007","23.1335","0.0019","90","","90","","90","","5080.6","0.6","173","2","173","2","","","","","","","","6","P b c n","-P 2n 2ab","60","","","","- C52 H65 Cu F6 Mg N4 -","- C52 H64 Cu F6 Mg N4 -","- C208 H256 Cu4 F24 Mg4 N16 -","4","0.5","","Hicken, Alexandra; White, Andrew J. P.; Crimmin, Mark R.","Reversible Coordination of Boron-, Aluminum-, Zinc-, Magnesium-, and Calcium-Hydrogen Bonds to Bent {CuL2} Fragments: Heavy σ Complexes of the Lightest Coinage Metal.","Inorganic chemistry","2017","56","15","8669","8682","10.1021/acs.inorgchem.7b00182","","","0.71073","MoKα","","0.1465","0.0839","","","0.1586","0.1863","","","","","","1.099","","","","has coordinates,has disorder","200656","2020-10-21","18:00:00",""
"4345932","6.1845","0.0003","18.1622","0.0008","20.0419","0.0007","90","","90","","90","","2251.19","0.17","173","2","173","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C24 H15 Cu F10 N2 -","- C24 H15 Cu F10 N2 -","- C96 H60 Cu4 F40 N8 -","4","1","","Hicken, Alexandra; White, Andrew J. P.; Crimmin, Mark R.","Reversible Coordination of Boron-, Aluminum-, Zinc-, Magnesium-, and Calcium-Hydrogen Bonds to Bent {CuL2} Fragments: Heavy σ Complexes of the Lightest Coinage Metal.","Inorganic chemistry","2017","56","15","8669","8682","10.1021/acs.inorgchem.7b00182","","","0.71073","MoKα","","0.0518","0.0368","","","0.0645","0.0701","","","","","","1.047","","","","has coordinates,has disorder","200656","2020-10-21","18:00:00",""
"4345933","15.326","0.0004","13.3574","0.0005","11.8161","0.0004","90","","93.483","0.003","90","","2414.47","0.14","173","2","173","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C23 H17 B Cu F10 N3 -","- C23 H17 B Cu F10 N3 -","- C92 H68 B4 Cu4 F40 N12 -","4","1","","Hicken, Alexandra; White, Andrew J. P.; Crimmin, Mark R.","Reversible Coordination of Boron-, Aluminum-, Zinc-, Magnesium-, and Calcium-Hydrogen Bonds to Bent {CuL2} Fragments: Heavy σ Complexes of the Lightest Coinage Metal.","Inorganic chemistry","2017","56","15","8669","8682","10.1021/acs.inorgchem.7b00182","","","0.71073","MoKα","","0.0577","0.0377","","","0.0752","0.0823","","","","","","1.018","","","","has coordinates","200656","2020-10-21","18:00:00",""
"4345934","14.6898","0.0007","13.7067","0.0005","22.9433","0.001","90","","102.708","0.005","90","","4506.4","0.3","173","2","173","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C46 H49 Cu F10 N4 Zn -","- C46 H49 Cu F10 N4 Zn -","- C184 H196 Cu4 F40 N16 Zn4 -","4","0.5","","Hicken, Alexandra; White, Andrew J. P.; Crimmin, Mark R.","Reversible Coordination of Boron-, Aluminum-, Zinc-, Magnesium-, and Calcium-Hydrogen Bonds to Bent {CuL2} Fragments: Heavy σ Complexes of the Lightest Coinage Metal.","Inorganic chemistry","2017","56","15","8669","8682","10.1021/acs.inorgchem.7b00182","","","0.71073","MoKα","","0.0428","0.0305","","","0.069","0.0756","","","","","","1.05","","","","has coordinates","200656","2020-10-21","18:00:00",""
"4345935","10.4434","0.0007","11.057","0.0006","20.7656","0.0011","86.963","0.004","79.146","0.005","67.432","0.006","2174.1","0.2","173","2","173","2","","","","","","","","5","P -1","-P 1","2","","","","- C46 H48 F10 Mg N4 -","- C46 H48 F10 Mg N4 -","- C92 H96 F20 Mg2 N8 -","2","1","","Hicken, Alexandra; White, Andrew J. P.; Crimmin, Mark R.","Reversible Coordination of Boron-, Aluminum-, Zinc-, Magnesium-, and Calcium-Hydrogen Bonds to Bent {CuL2} Fragments: Heavy σ Complexes of the Lightest Coinage Metal.","Inorganic chemistry","2017","56","15","8669","8682","10.1021/acs.inorgchem.7b00182","","","0.71073","MoKα","","0.0675","0.045","","","0.097","0.1099","","","","","","1.016","","","","has coordinates","200656","2020-10-21","18:00:00",""
"4345936","11.547","0.0007","12.7713","0.0008","13.6555","0.0008","117.689","0.001","100.091","0.001","104.991","0.001","1616.49","0.17","296","2","296","2","","","","","","","","6","P -1","-P 1","2","","","","- C56 H68 Cl4 Fe2 N16 O12 -","- C56 H68 Cl4 Fe2 N16 O12 -","- C56 H68 Cl4 Fe2 N16 O12 -","1","0.5","","Reger, Daniel L.; Pascui, Andrea E.; Foley, Elizabeth A.; Smith, Mark D.; Jezierska, Julia; Wojciechowska, Agnieszka; Stoian, Sebastian A.; Ozarowski, Andrew","Dinuclear Metallacycles with Single M-X-M Bridges (X = Cl(-), Br(-); M = Fe(II), Co(II), Ni(II), Cu(II), Zn(II), Cd(II)): Strong Antiferromagnetic Superexchange Interactions.","Inorganic chemistry","2017","","","","","10.1021/acs.inorgchem.6b02933","","","0.71073","MoKα","","0.0763","0.0548","","","0.1438","0.1611","","","","","","1.043","","","","has coordinates,has disorder","198952","2020-10-21","18:00:00",""
"4345937","12.5895","0.0012","13.7272","0.0013","19.0556","0.0019","92.483","0.002","99.578","0.002","104.833","0.002","3126.3","0.5","100","2","100","2","","","","","","","","6","P -1","-P 1","2","","","","- C56 H68 Cl4 Fe2 N16 O12 -","- C56 H68 Cl4 Fe2 N16 O12 -","- C112 H136 Cl8 Fe4 N32 O24 -","2","1","","Reger, Daniel L.; Pascui, Andrea E.; Foley, Elizabeth A.; Smith, Mark D.; Jezierska, Julia; Wojciechowska, Agnieszka; Stoian, Sebastian A.; Ozarowski, Andrew","Dinuclear Metallacycles with Single M-X-M Bridges (X = Cl(-), Br(-); M = Fe(II), Co(II), Ni(II), Cu(II), Zn(II), Cd(II)): Strong Antiferromagnetic Superexchange Interactions.","Inorganic chemistry","2017","","","","","10.1021/acs.inorgchem.6b02933","","","0.71073","MoKα","","0.0885","0.0606","","","0.1559","0.1768","","","","","","1.035","","","","has coordinates,has disorder","198952","2020-10-21","18:00:00",""
"4345938","11.5648","0.0005","12.7207","0.0005","13.5429","0.0006","116.98","0.001","100.121","0.001","105.531","0.001","1604.91","0.12","295","2","295","2","","","","","","","","6","P -1","-P 1","2","","","","- C56 H68 Cl4 Co2 N16 O12 -","- C56 H68 Cl4 Co2 N16 O12 -","- C56 H68 Cl4 Co2 N16 O12 -","1","0.5","","Reger, Daniel L.; Pascui, Andrea E.; Foley, Elizabeth A.; Smith, Mark D.; Jezierska, Julia; Wojciechowska, Agnieszka; Stoian, Sebastian A.; Ozarowski, Andrew","Dinuclear Metallacycles with Single M-X-M Bridges (X = Cl(-), Br(-); M = Fe(II), Co(II), Ni(II), Cu(II), Zn(II), Cd(II)): Strong Antiferromagnetic Superexchange Interactions.","Inorganic chemistry","2017","","","","","10.1021/acs.inorgchem.6b02933","","","0.71073","MoKα","","0.0558","0.0488","","","0.1437","0.1517","","","","","","1.041","","","","has coordinates,has disorder","198952","2020-10-21","18:00:00",""
"4345939","12.5738","0.0006","13.7181","0.0006","19.0076","0.0009","92.539","0.001","99.042","0.001","105.562","0.001","3106.2","0.2","100","2","100","2","","","","","","","","6","P -1","-P 1","2","","","","- C56 H68 Cl4 Co2 N16 O12 -","- C56 H68 Cl4 Co2 N16 O12 -","- C112 H136 Cl8 Co4 N32 O24 -","2","1","","Reger, Daniel L.; Pascui, Andrea E.; Foley, Elizabeth A.; Smith, Mark D.; Jezierska, Julia; Wojciechowska, Agnieszka; Stoian, Sebastian A.; Ozarowski, Andrew","Dinuclear Metallacycles with Single M-X-M Bridges (X = Cl(-), Br(-); M = Fe(II), Co(II), Ni(II), Cu(II), Zn(II), Cd(II)): Strong Antiferromagnetic Superexchange Interactions.","Inorganic chemistry","2017","","","","","10.1021/acs.inorgchem.6b02933","","","0.71073","MoKα","","0.0452","0.0368","","","0.0937","0.0994","","","","","","1.049","","","","has coordinates","198952","2020-10-21","18:00:00",""
"4345940","11.2707","0.0005","12.6503","0.0005","13.6992","0.0006","117.74","0.001","100.654","0.001","103.841","0.001","1575.65","0.12","296","2","296","2","","","","","","","","7","P -1","-P 1","2","","","","- C56 H68 B3 Cl Co2 F12 N16 -","- C56 H68 B3 Cl Co2 F12 N16 -","- C56 H68 B3 Cl Co2 F12 N16 -","1","0.5","","Reger, Daniel L.; Pascui, Andrea E.; Foley, Elizabeth A.; Smith, Mark D.; Jezierska, Julia; Wojciechowska, Agnieszka; Stoian, Sebastian A.; Ozarowski, Andrew","Dinuclear Metallacycles with Single M-X-M Bridges (X = Cl(-), Br(-); M = Fe(II), Co(II), Ni(II), Cu(II), Zn(II), Cd(II)): Strong Antiferromagnetic Superexchange Interactions.","Inorganic chemistry","2017","","","","","10.1021/acs.inorgchem.6b02933","","","0.71073","MoKα","","0.0624","0.0556","","","0.1611","0.1687","","","","","","1.036","","","","has coordinates,has disorder","198952","2020-10-21","18:00:00",""
"4345941","12.4854","0.0007","13.6318","0.0007","28.1186","0.0015","82.544","0.001","88.073","0.001","74.441","0.001","4571.4","0.4","100","2","100","2","","","","","","","","7","P -1","-P 1","2","","","","- C56 H68 B3 Cl Co2 F12 N16 -","- C56 H68 B3 Cl Co2 F12 N16 -","- C168 H204 B9 Cl3 Co6 F36 N48 -","3","1.5","","Reger, Daniel L.; Pascui, Andrea E.; Foley, Elizabeth A.; Smith, Mark D.; Jezierska, Julia; Wojciechowska, Agnieszka; Stoian, Sebastian A.; Ozarowski, Andrew","Dinuclear Metallacycles with Single M-X-M Bridges (X = Cl(-), Br(-); M = Fe(II), Co(II), Ni(II), Cu(II), Zn(II), Cd(II)): Strong Antiferromagnetic Superexchange Interactions.","Inorganic chemistry","2017","","","","","10.1021/acs.inorgchem.6b02933","","","0.71073","MoKα","","0.0752","0.0461","","","0.1082","0.1232","","","","","","1.002","","","","has coordinates,has disorder","198952","2020-10-21","18:00:00",""
"4345942","8.5328","0.0004","31.0199","0.0013","12.3447","0.0005","90","","96.339","0.001","90","","3247.5","0.2","100","2","100","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C28 H34 Cl4 Co2 N8 -","- C28 H34 Cl4 Co2 N8 -","- C112 H136 Cl16 Co8 N32 -","4","1","","Reger, Daniel L.; Pascui, Andrea E.; Foley, Elizabeth A.; Smith, Mark D.; Jezierska, Julia; Wojciechowska, Agnieszka; Stoian, Sebastian A.; Ozarowski, Andrew","Dinuclear Metallacycles with Single M-X-M Bridges (X = Cl(-), Br(-); M = Fe(II), Co(II), Ni(II), Cu(II), Zn(II), Cd(II)): Strong Antiferromagnetic Superexchange Interactions.","Inorganic chemistry","2017","","","","","10.1021/acs.inorgchem.6b02933","","","0.71073","MoKα","","0.0544","0.0404","","","0.0915","0.0981","","","","","","1.058","","","","has coordinates","198952","2020-10-21","18:00:00",""
"4345943","15.3807","0.0006","14.2441","0.0006","21.9973","0.0009","90","","90","","90","","4819.3","0.3","250","2","250","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C20 H18 Cl4 Co2 N8 -","- C20 H18 Cl4 Co2 N8 -","- C160 H144 Cl32 Co16 N64 -","8","1","","Reger, Daniel L.; Pascui, Andrea E.; Foley, Elizabeth A.; Smith, Mark D.; Jezierska, Julia; Wojciechowska, Agnieszka; Stoian, Sebastian A.; Ozarowski, Andrew","Dinuclear Metallacycles with Single M-X-M Bridges (X = Cl(-), Br(-); M = Fe(II), Co(II), Ni(II), Cu(II), Zn(II), Cd(II)): Strong Antiferromagnetic Superexchange Interactions.","Inorganic chemistry","2017","","","","","10.1021/acs.inorgchem.6b02933","","","0.71073","MoKα","","0.0498","0.0327","","","0.0668","0.0719","","","","","","0.914","","","","has coordinates","198952","2020-10-21","18:00:00",""
"4345944","11.5982","0.0012","12.7154","0.0013","13.4415","0.0014","116.563","0.002","100.456","0.002","105.718","0.002","1597.9","0.3","296","2","296","2","","","","","","","","6","P -1","-P 1","2","","","","- C56 H68 Cl4 N16 Ni2 O12 -","- C56 H68 Cl4 N16 Ni2 O12 -","- C56 H68 Cl4 N16 Ni2 O12 -","1","0.5","","Reger, Daniel L.; Pascui, Andrea E.; Foley, Elizabeth A.; Smith, Mark D.; Jezierska, Julia; Wojciechowska, Agnieszka; Stoian, Sebastian A.; Ozarowski, Andrew","Dinuclear Metallacycles with Single M-X-M Bridges (X = Cl(-), Br(-); M = Fe(II), Co(II), Ni(II), Cu(II), Zn(II), Cd(II)): Strong Antiferromagnetic Superexchange Interactions.","Inorganic chemistry","2017","","","","","10.1021/acs.inorgchem.6b02933","","","0.71073","MoKα","","0.0559","0.0485","","","0.1376","0.1451","","","","","","1.037","","","","has coordinates,has disorder","198952","2020-10-21","18:00:00",""
"4345945","12.5479","0.0012","13.6618","0.0013","18.976","0.0017","92.415","0.002","98.573","0.002","105.896","0.002","3081.9","0.5","100","2","100","2","","","","","","","","6","P -1","-P 1","2","","","","- C56 H68 Cl4 N16 Ni2 O12 -","- C56 H68 Cl4 N16 Ni2 O12 -","- C112 H136 Cl8 N32 Ni4 O24 -","2","1","","Reger, Daniel L.; Pascui, Andrea E.; Foley, Elizabeth A.; Smith, Mark D.; Jezierska, Julia; Wojciechowska, Agnieszka; Stoian, Sebastian A.; Ozarowski, Andrew","Dinuclear Metallacycles with Single M-X-M Bridges (X = Cl(-), Br(-); M = Fe(II), Co(II), Ni(II), Cu(II), Zn(II), Cd(II)): Strong Antiferromagnetic Superexchange Interactions.","Inorganic chemistry","2017","","","","","10.1021/acs.inorgchem.6b02933","","","0.71073","MoKα","","0.0619","0.051","","","0.1337","0.1436","","","","","","1.049","","","","has coordinates,has disorder","198952","2020-10-21","18:00:00",""
"4345946","11.5965","0.0005","12.6931","0.0005","13.4508","0.0005","116.296","0.001","101.606","0.001","105.039","0.001","1595.86","0.11","295","2","295","2","","","","","","","","6","P -1","-P 1","2","","","","- C56 H68 Cl4 Cu2 N16 O12 -","- C56 H68 Cl4 Cu2 N16 O12 -","- C56 H68 Cl4 Cu2 N16 O12 -","1","0.5","","Reger, Daniel L.; Pascui, Andrea E.; Foley, Elizabeth A.; Smith, Mark D.; Jezierska, Julia; Wojciechowska, Agnieszka; Stoian, Sebastian A.; Ozarowski, Andrew","Dinuclear Metallacycles with Single M-X-M Bridges (X = Cl(-), Br(-); M = Fe(II), Co(II), Ni(II), Cu(II), Zn(II), Cd(II)): Strong Antiferromagnetic Superexchange Interactions.","Inorganic chemistry","2017","","","","","10.1021/acs.inorgchem.6b02933","","","0.71073","MoKα","","0.066","0.0551","","","0.1528","0.1635","","","","","","1.05","","","","has coordinates,has disorder","198952","2020-10-21","18:00:00",""
"4345947","11.4245","0.0005","12.5062","0.0005","22.5208","0.0009","84.71","0.001","82.97","0.001","75.285","0.001","3082.5","0.2","100","2","100","2","","","","","","","","6","P -1","-P 1","2","","","","- C56 H68 Cl4 Cu2 N16 O12 -","- C56 H68 Cl4 Cu2 N16 O12 -","- C112 H136 Cl8 Cu4 N32 O24 -","2","1","","Reger, Daniel L.; Pascui, Andrea E.; Foley, Elizabeth A.; Smith, Mark D.; Jezierska, Julia; Wojciechowska, Agnieszka; Stoian, Sebastian A.; Ozarowski, Andrew","Dinuclear Metallacycles with Single M-X-M Bridges (X = Cl(-), Br(-); M = Fe(II), Co(II), Ni(II), Cu(II), Zn(II), Cd(II)): Strong Antiferromagnetic Superexchange Interactions.","Inorganic chemistry","2017","","","","","10.1021/acs.inorgchem.6b02933","","","0.71073","MoKα","","0.0615","0.0482","","","0.1215","0.1301","","","","","","1.068","","","","has coordinates,has disorder","198952","2020-10-21","18:00:00",""
"4345948","11.259","0.0005","12.5195","0.0005","13.5517","0.0006","106.005","0.001","114.226","0.001","102.968","0.001","1545.34","0.12","200","2","200","2","","","","","","","","7","P -1","-P 1","2","","","","- C56 H68 B3 Cl Cu2 F12 N16 -","- C56 H68 B2.998 Cl Cu2 F11.992 N16 -","- C56 H68 B2.998 Cl Cu2 F11.992 N16 -","1","0.5","","Reger, Daniel L.; Pascui, Andrea E.; Foley, Elizabeth A.; Smith, Mark D.; Jezierska, Julia; Wojciechowska, Agnieszka; Stoian, Sebastian A.; Ozarowski, Andrew","Dinuclear Metallacycles with Single M-X-M Bridges (X = Cl(-), Br(-); M = Fe(II), Co(II), Ni(II), Cu(II), Zn(II), Cd(II)): Strong Antiferromagnetic Superexchange Interactions.","Inorganic chemistry","2017","","","","","10.1021/acs.inorgchem.6b02933","","","0.71073","MoKα","","0.0608","0.0529","","","0.1391","0.1455","","","","","","1.033","","","","has coordinates,has disorder","198952","2020-10-21","18:00:00",""
"4345949","11.2345","0.0008","12.4229","0.0009","22.4871","0.0016","84.71","0.001","83.774","0.001","76.53","0.001","3026.8","0.4","100","2","100","2","","","","","","","","7","P -1","-P 1","2","","","","- C56 H68 B3 Cl Cu2 F12 N16 -","- C56 H68 B3 Cl Cu2 F12 N16 -","- C112 H136 B6 Cl2 Cu4 F24 N32 -","2","1","","Reger, Daniel L.; Pascui, Andrea E.; Foley, Elizabeth A.; Smith, Mark D.; Jezierska, Julia; Wojciechowska, Agnieszka; Stoian, Sebastian A.; Ozarowski, Andrew","Dinuclear Metallacycles with Single M-X-M Bridges (X = Cl(-), Br(-); M = Fe(II), Co(II), Ni(II), Cu(II), Zn(II), Cd(II)): Strong Antiferromagnetic Superexchange Interactions.","Inorganic chemistry","2017","","","","","10.1021/acs.inorgchem.6b02933","","","0.71073","MoKα","","0.056","0.0413","","","0.0984","0.1058","","","","","","1.044","","","","has coordinates","198952","2020-10-21","18:00:00",""
"4345950","10.3088","0.0006","42.585","0.002","12.0443","0.0007","90","","103.343","0.001","90","","5144.7","0.5","150","2","150","2","","","","","","","","6","P 1 21/m 1","-P 2yb","11","","","","- C43 H40.5 Cl4 Cu2 N17.5 O12 -","- C43 H40.5 Cl4.001 Cu2 N17.5 O12.004 -","- C172 H162 Cl16.004 Cu8 N70 O48.016 -","4","1","","Reger, Daniel L.; Pascui, Andrea E.; Foley, Elizabeth A.; Smith, Mark D.; Jezierska, Julia; Wojciechowska, Agnieszka; Stoian, Sebastian A.; Ozarowski, Andrew","Dinuclear Metallacycles with Single M-X-M Bridges (X = Cl(-), Br(-); M = Fe(II), Co(II), Ni(II), Cu(II), Zn(II), Cd(II)): Strong Antiferromagnetic Superexchange Interactions.","Inorganic chemistry","2017","","","","","10.1021/acs.inorgchem.6b02933","","","0.71073","MoKα","","0.0576","0.0494","","","0.116","0.1205","","","","","","1.099","","","","has coordinates,has disorder","198952","2020-10-21","18:00:00",""
"4345951","10.256","0.0004","12.8684","0.0006","21.3259","0.0009","99.532","0.001","91.382","0.001","111.324","0.001","2574.75","0.19","150","2","150","2","","","","","","","","6","P -1","-P 1","2","","","","- C44 H42 Cl4 Cu2 N18 O12 -","- C44 H42 Cl4 Cu2 N18 O12 -","- C88 H84 Cl8 Cu4 N36 O24 -","2","1","","Reger, Daniel L.; Pascui, Andrea E.; Foley, Elizabeth A.; Smith, Mark D.; Jezierska, Julia; Wojciechowska, Agnieszka; Stoian, Sebastian A.; Ozarowski, Andrew","Dinuclear Metallacycles with Single M-X-M Bridges (X = Cl(-), Br(-); M = Fe(II), Co(II), Ni(II), Cu(II), Zn(II), Cd(II)): Strong Antiferromagnetic Superexchange Interactions.","Inorganic chemistry","2017","","","","","10.1021/acs.inorgchem.6b02933","","","0.71073","MoKα","","0.0513","0.0389","","","0.0934","0.1005","","","","","","1.026","","","","has coordinates","198952","2020-10-21","18:00:00",""
"4345952","10.0411","0.0007","13.0618","0.001","22.0678","0.0017","94.615","0.002","92.4","0.001","109.962","0.001","2704.1","0.3","150","2","150","2","","","","","","","","7","P -1","-P 1","2","","","","- C46 H45 B3 Cl Cu2 F12 N19 -","- C46 H45 B3 Cl Cu2 F12 N19 -","- C92 H90 B6 Cl2 Cu4 F24 N38 -","2","1","","Reger, Daniel L.; Pascui, Andrea E.; Foley, Elizabeth A.; Smith, Mark D.; Jezierska, Julia; Wojciechowska, Agnieszka; Stoian, Sebastian A.; Ozarowski, Andrew","Dinuclear Metallacycles with Single M-X-M Bridges (X = Cl(-), Br(-); M = Fe(II), Co(II), Ni(II), Cu(II), Zn(II), Cd(II)): Strong Antiferromagnetic Superexchange Interactions.","Inorganic chemistry","2017","","","","","10.1021/acs.inorgchem.6b02933","","","0.71073","MoKα","","0.0493","0.0402","","","0.1037","0.1098","","","","","","1.03","","","","has coordinates","198952","2020-10-21","18:00:00",""
"4345953","12.9848","0.0007","13.6965","0.0008","22.009","0.0012","78.948","0.001","85.295","0.001","86.641","0.001","3825","0.4","100","2","100","2","","","","","","","","6","P -1","-P 1","2","","","","- C66 H83 Cl4 N21 O12 Zn2 -","- C66 H83 Cl3.999 N21 O11.996 Zn2 -","- C132 H166 Cl7.998 N42 O23.992 Zn4 -","2","1","","Reger, Daniel L.; Pascui, Andrea E.; Foley, Elizabeth A.; Smith, Mark D.; Jezierska, Julia; Wojciechowska, Agnieszka; Stoian, Sebastian A.; Ozarowski, Andrew","Dinuclear Metallacycles with Single M-X-M Bridges (X = Cl(-), Br(-); M = Fe(II), Co(II), Ni(II), Cu(II), Zn(II), Cd(II)): Strong Antiferromagnetic Superexchange Interactions.","Inorganic chemistry","2017","","","","","10.1021/acs.inorgchem.6b02933","","","0.71073","MoKα","","0.0673","0.0438","","","0.0924","0.1001","","","","","","0.918","","","","has coordinates,has disorder","198952","2020-10-21","18:00:00",""
"4345954","11.2243","0.0009","17.0686","0.0014","14.0062","0.0012","90","","93.943","0.001","90","","2677","0.4","100","2","100","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C46 H48 Cl4 N16 O14 Zn2 -","- C46 H48 Cl4.001 N16 O14 Zn2 -","- C92 H96 Cl8.002 N32 O28 Zn4 -","2","0.5","","Reger, Daniel L.; Pascui, Andrea E.; Foley, Elizabeth A.; Smith, Mark D.; Jezierska, Julia; Wojciechowska, Agnieszka; Stoian, Sebastian A.; Ozarowski, Andrew","Dinuclear Metallacycles with Single M-X-M Bridges (X = Cl(-), Br(-); M = Fe(II), Co(II), Ni(II), Cu(II), Zn(II), Cd(II)): Strong Antiferromagnetic Superexchange Interactions.","Inorganic chemistry","2017","","","","","10.1021/acs.inorgchem.6b02933","","","0.71073","MoKα","","0.041","0.036","","","0.0955","0.0988","","","","","","1.044","","","","has coordinates,has disorder","198952","2020-10-21","18:00:00",""
"4345955","20.7244","0.0011","15.9031","0.0009","19.5139","0.001","90","","95.496","0.001","90","","6401.9","0.6","100","2","100","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C56 H68 Cd2 Cl4 N16 O12 -","- C56 H68 Cd2 Cl4 N16 O12 -","- C224 H272 Cd8 Cl16 N64 O48 -","4","1","","Reger, Daniel L.; Pascui, Andrea E.; Foley, Elizabeth A.; Smith, Mark D.; Jezierska, Julia; Wojciechowska, Agnieszka; Stoian, Sebastian A.; Ozarowski, Andrew","Dinuclear Metallacycles with Single M-X-M Bridges (X = Cl(-), Br(-); M = Fe(II), Co(II), Ni(II), Cu(II), Zn(II), Cd(II)): Strong Antiferromagnetic Superexchange Interactions.","Inorganic chemistry","2017","","","","","10.1021/acs.inorgchem.6b02933","","","0.71073","MoKα","","0.0464","0.0367","","","0.0884","0.0947","","","","","","1.043","","","","has coordinates","198952","2020-10-21","18:00:00",""
"4345956","25.3217","0.0014","13.5025","0.0007","22.8451","0.0012","90","","114.81","0.001","90","","7090","0.7","100","2","100","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C59.8 H83.2 Cd2 Cl4 N16 O15.8 -","- C59.8 H76 Cd2 Cl4 N16 O15.8 -","- C239.2 H304 Cd8 Cl16 N64 O63.2 -","4","0.5","","Reger, Daniel L.; Pascui, Andrea E.; Foley, Elizabeth A.; Smith, Mark D.; Jezierska, Julia; Wojciechowska, Agnieszka; Stoian, Sebastian A.; Ozarowski, Andrew","Dinuclear Metallacycles with Single M-X-M Bridges (X = Cl(-), Br(-); M = Fe(II), Co(II), Ni(II), Cu(II), Zn(II), Cd(II)): Strong Antiferromagnetic Superexchange Interactions.","Inorganic chemistry","2017","","","","","10.1021/acs.inorgchem.6b02933","","","0.71073","MoKα","","0.0496","0.0379","","","0.0903","0.097","","","","","","1.045","","","","has coordinates,has disorder","198952","2020-10-21","18:00:00",""
"4345957","23.9421","0.0017","12.3031","0.0009","23.6249","0.0017","90","","103.64","0.002","90","","6762.7","0.8","100","2","100","2","","","","","","","","7","C 1 2/c 1","-C 2yc","15","","","","- C60 H74 Br Cl3 Cu2 N18 O12 -","- C60 H74 Br Cl3 Cu2 N18 O12 -","- C240 H296 Br4 Cl12 Cu8 N72 O48 -","4","0.5","","Reger, Daniel L.; Pascui, Andrea E.; Foley, Elizabeth A.; Smith, Mark D.; Jezierska, Julia; Wojciechowska, Agnieszka; Stoian, Sebastian A.; Ozarowski, Andrew","Dinuclear Metallacycles with Single M-X-M Bridges (X = Cl(-), Br(-); M = Fe(II), Co(II), Ni(II), Cu(II), Zn(II), Cd(II)): Strong Antiferromagnetic Superexchange Interactions.","Inorganic chemistry","2017","","","","","10.1021/acs.inorgchem.6b02933","","","0.71073","MoKα","","0.0436","0.035","","","0.0861","0.0913","","","","","","1.027","","","","has coordinates,has disorder","198952","2020-10-21","18:00:00",""
"4345958","8.7243","0.0006","31.462","0.002","12.4239","0.0009","90","","96.772","0.002","90","","3386.4","0.4","100","2","100","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C28 H34 Br4 Co2 N8 -","- C28 H34 Br4 Co2 N8 -","- C112 H136 Br16 Co8 N32 -","4","1","","Reger, Daniel L.; Pascui, Andrea E.; Foley, Elizabeth A.; Smith, Mark D.; Jezierska, Julia; Wojciechowska, Agnieszka; Stoian, Sebastian A.; Ozarowski, Andrew","Dinuclear Metallacycles with Single M-X-M Bridges (X = Cl(-), Br(-); M = Fe(II), Co(II), Ni(II), Cu(II), Zn(II), Cd(II)): Strong Antiferromagnetic Superexchange Interactions.","Inorganic chemistry","2017","","","","","10.1021/acs.inorgchem.6b02933","","","0.71073","MoKα","","0.089","0.0503","","","0.0923","0.1073","","","","","","0.972","","","","has coordinates","198952","2020-10-21","18:00:00",""
"4345959","6.2732","0.0002","5.391","0.0001","9.1288","0.0002","90","","90","","90","","308.725","0.013","120","2","120","2","","","","","","","","3","P n m a","-P 2ac 2n","62","","","","- K N O3 -","- K N O3 -","- K4 N4 O12 -","4","0.5","","Nelyubina, Yulia V.; Korlyukov, Alexander A.; Lyssenko, Konstantin A.; Fedyanin, Ivan V.","Transferable Aspherical Atom Modeling of Electron Density in Highly Symmetric Crystals: A Case Study of Alkali-Metal Nitrates.","Inorganic chemistry","2017","","","","","10.1021/acs.inorgchem.7b00340","","","0.71073","MoKα","","0.0308","0.0219","","","0.0528","0.0588","","","","","","1.002","","","","has coordinates","198953","2020-10-21","18:00:00",""
"4345960","8.7185","0.0003","9.8085","0.0003","11.5663","0.0003","94.431","0.002","95.603","0.002","104.837","0.002","946.16","0.05","100.01","0.1","100.01","0.1","","","","","","","","5","P -1","-P 1","2","","","","- C19 H17 I2 O P -","- C19 H17 I2 O P -","- C38 H34 I4 O2 P2 -","2","1","","Borys, Andryj M.; Clark, Ewan R.","Adducts of Donor-Functionalized Ar3P with the Soft Lewis Acid I2: Probing Simultaneous Lewis Acidity and Basicity at Internally Solvated P(III) Centers.","Inorganic chemistry","2017","","","","","10.1021/acs.inorgchem.7b00278","","x-ray","0.71073","MoKα","","0.0249","0.021","","","0.0407","0.0424","","","","","","1.05","","","","has coordinates","198954","2020-10-21","18:00:00",""
"4345961","9.2731","0.0003","10.0341","0.0003","11.6573","0.0003","67.852","0.003","88.456","0.002","84.209","0.002","999.44","0.06","100","0.1","100","0.1","","","","","","","","5","P -1","-P 1","2","","","","- C20 H20 I2 N P -","- C20 H20 I2 N P -","- C40 H40 I4 N2 P2 -","2","1","","Borys, Andryj M.; Clark, Ewan R.","Adducts of Donor-Functionalized Ar3P with the Soft Lewis Acid I2: Probing Simultaneous Lewis Acidity and Basicity at Internally Solvated P(III) Centers.","Inorganic chemistry","2017","","","","","10.1021/acs.inorgchem.7b00278","","x-ray","0.71073","MoKα","","0.0165","0.0153","","","0.0336","0.0341","","","","","","1.075","","","","has coordinates","198954","2020-10-21","18:00:00",""
"4345962","9.0359","0.0003","25.5171","0.0007","9.4963","0.0003","90","","106.832","0.003","90","","2095.76","0.12","100","0.1","100","0.1","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C21 H22 I2 N P -","- C21 H22 I2 N P -","- C84 H88 I8 N4 P4 -","4","1","","Borys, Andryj M.; Clark, Ewan R.","Adducts of Donor-Functionalized Ar3P with the Soft Lewis Acid I2: Probing Simultaneous Lewis Acidity and Basicity at Internally Solvated P(III) Centers.","Inorganic chemistry","2017","","","","","10.1021/acs.inorgchem.7b00278","","x-ray","0.71073","MoKα","","0.0319","0.0233","","","0.0414","0.0437","","","","","","1.037","","","","has coordinates","198954","2020-10-21","18:00:00",""
"4345963","8.76192","0.00019","10.48116","0.00019","11.422","0.0003","90.3592","0.0017","94.2694","0.0018","95.4542","0.0016","1041.2","0.04","100","0.1","100","0.1","","","","","","","","5","P -1","-P 1","2","","","","- C20 H19 I2 O2 P -","- C20 H19 I2 O2 P -","- C40 H38 I4 O4 P2 -","2","1","","Borys, Andryj M.; Clark, Ewan R.","Adducts of Donor-Functionalized Ar3P with the Soft Lewis Acid I2: Probing Simultaneous Lewis Acidity and Basicity at Internally Solvated P(III) Centers.","Inorganic chemistry","2017","","","","","10.1021/acs.inorgchem.7b00278","","x-ray","0.71073","MoKα","","0.018","0.0172","","","0.0397","0.0401","","","","","","1.071","","","","has coordinates","204144","2020-10-21","18:00:00",""
"4345964","8.94007","0.00014","42.9758","0.0006","12.85504","0.00019","90","","108.575","0.0017","90","","4681.7","0.13","100.01","0.1","100.01","0.1","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C22 H25 I2 N2 P -","- C22 H25 I2 N2 P -","- C176 H200 I16 N16 P8 -","8","2","","Borys, Andryj M.; Clark, Ewan R.","Adducts of Donor-Functionalized Ar3P with the Soft Lewis Acid I2: Probing Simultaneous Lewis Acidity and Basicity at Internally Solvated P(III) Centers.","Inorganic chemistry","2017","","","","","10.1021/acs.inorgchem.7b00278","","x-ray","0.71073","MoKα","","0.0323","0.0246","","","0.0495","0.0523","","","","","","1.029","","","","has coordinates","198954","2020-10-21","18:00:00",""
"4345965","10.33101","0.00009","12.83882","0.00012","13.61886","0.00013","90","","90","","90","","1806.38","0.03","100","0.1","100","0.1","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C18 H15 I2 P -","- C18 H15 I2 P -","- C72 H60 I8 P4 -","4","1","","Borys, Andryj M.; Clark, Ewan R.","Adducts of Donor-Functionalized Ar3P with the Soft Lewis Acid I2: Probing Simultaneous Lewis Acidity and Basicity at Internally Solvated P(III) Centers.","Inorganic chemistry","2017","","","","","10.1021/acs.inorgchem.7b00278","","x-ray","0.71073","MoKα","","0.0163","0.0162","","","0.0368","0.0369","","","","","","1.123","","","","has coordinates","204145","2020-10-21","18:00:00",""
"4345966","12.3441","0.0003","13.0277","0.0002","19.3179","0.0003","86.9054","0.0014","82.8373","0.0015","71.4746","0.0017","2922.31","0.1","100","0.1","100","0.1","","","","","","","","8","P -1","-P 1","2","","","","- C57.5 H44 B Cl F24 I O P -","- C57.5 H44 B Cl F24 I O P -","- C115 H88 B2 Cl2 F48 I2 O2 P2 -","2","1","","Borys, Andryj M.; Clark, Ewan R.","Adducts of Donor-Functionalized Ar3P with the Soft Lewis Acid I2: Probing Simultaneous Lewis Acidity and Basicity at Internally Solvated P(III) Centers.","Inorganic chemistry","2017","","","","","10.1021/acs.inorgchem.7b00278","","x-ray","1.54184","CuKα","","0.0551","0.0548","","","0.1393","0.1395","","","","","","1.072","","","","has coordinates,has disorder","204145","2020-10-21","18:00:00",""
"4345967","12.50066","0.00015","13.24451","0.00017","17.59462","0.00019","90.5505","0.001","92.5441","0.0009","109.589","0.0012","2740.82","0.06","100.01","0.1","100.01","0.1","","","","","","","","8","P -1","-P 1","2","","","","- C53 H34 B Cl2 F24 I N P -","- C53 H34 B Cl2 F24 I N P -","- C106 H68 B2 Cl4 F48 I2 N2 P2 -","2","1","","Borys, Andryj M.; Clark, Ewan R.","Adducts of Donor-Functionalized Ar3P with the Soft Lewis Acid I2: Probing Simultaneous Lewis Acidity and Basicity at Internally Solvated P(III) Centers.","Inorganic chemistry","2017","","","","","10.1021/acs.inorgchem.7b00278","","x-ray","1.54184","CuKα","","0.0315","0.0313","","","0.0826","0.0827","","","","","","1.019","","","","has coordinates,has disorder","204145","2020-10-21","18:00:00",""
"4345968","12.46086","0.00015","34.0625","0.0003","13.54015","0.00016","90","","110.611","0.0013","90","","5379.22","0.11","100","0.1","100","0.1","","","","","","","","8","P 1 21 1","P 2yb","4","","","","- C105 H64 B2 Cl2 F48 I2 O4 P2 -","- C105 H64 B2 Cl2 F48 I2 O4 P2 -","- C210 H128 B4 Cl4 F96 I4 O8 P4 -","2","1","","Borys, Andryj M.; Clark, Ewan R.","Adducts of Donor-Functionalized Ar3P with the Soft Lewis Acid I2: Probing Simultaneous Lewis Acidity and Basicity at Internally Solvated P(III) Centers.","Inorganic chemistry","2017","","","","","10.1021/acs.inorgchem.7b00278","","x-ray","0.71073","MoKα","","0.0363","0.0354","","","0.0887","0.0894","","","","","","1.037","","","","has coordinates,has disorder","204145","2020-10-21","18:00:00",""
"4345969","14.5165","0.0002","17.686","0.0003","22.1653","0.0004","90","","103.285","0.0017","90","","5538.41","0.16","100","0.1","100","0.1","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C21 H21 Cl2 I4 O2 P -","- C21 H21 Cl2 I4 O2 P -","- C168 H168 Cl16 I32 O16 P8 -","8","2","","Borys, Andryj M.; Clark, Ewan R.","Adducts of Donor-Functionalized Ar3P with the Soft Lewis Acid I2: Probing Simultaneous Lewis Acidity and Basicity at Internally Solvated P(III) Centers.","Inorganic chemistry","2017","","","","","10.1021/acs.inorgchem.7b00278","","x-ray","0.71073","MoKα","","0.0335","0.03","","","0.081","0.0836","","","","","","1.045","","","","has coordinates","204145","2020-10-21","18:00:00",""
"4345970","11.9475","0.0003","16.4754","0.0004","13.5533","0.0003","90","","98.65","0.002","90","","2637.48","0.11","100","0.1","100","0.1","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C22 H25 I4 N2 P -","- C22 H25 I4 N2 P -","- C88 H100 I16 N8 P4 -","4","1","","Borys, Andryj M.; Clark, Ewan R.","Adducts of Donor-Functionalized Ar3P with the Soft Lewis Acid I2: Probing Simultaneous Lewis Acidity and Basicity at Internally Solvated P(III) Centers.","Inorganic chemistry","2017","","","","","10.1021/acs.inorgchem.7b00278","","x-ray","0.71073","MoKα","","0.027","0.0211","","","0.0412","0.0429","","","","","","1.033","","","","has coordinates","204145","2020-10-21","18:00:00",""
"4345971","12.47595","0.00015","13.155","0.00016","17.7202","0.0002","90.8265","0.001","110.211","0.0011","109.035","0.0011","2553.34","0.06","100","0.1","100","0.1","","","","","","","","7","P -1","-P 1","2","","","","- C50.5 H28 B Cl F24 I P -","- C50.5 H28 B Cl F24 I P -","- C101 H56 B2 Cl2 F48 I2 P2 -","2","1","","Borys, Andryj M.; Clark, Ewan R.","Adducts of Donor-Functionalized Ar3P with the Soft Lewis Acid I2: Probing Simultaneous Lewis Acidity and Basicity at Internally Solvated P(III) Centers.","Inorganic chemistry","2017","","","","","10.1021/acs.inorgchem.7b00278","","x-ray","1.54184","CuKα","","0.0387","0.0385","","","0.095","0.0951","","","","","","1.018","","","","has coordinates,has disorder","204145","2020-10-21","18:00:00",""
"4345972","12.2921","0.0003","38.2596","0.001","9.0269","0.0002","90","","90","","90","","4245.27","0.18","100.03","0.12","100.03","0.12","","","","","","","","4","P n m a","-P 2ac 2n","62","","","","- C18 H15 I4 P -","- C18 H15 I4 P -","- C144 H120 I32 P8 -","8","1","","Borys, Andryj M.; Clark, Ewan R.","Adducts of Donor-Functionalized Ar3P with the Soft Lewis Acid I2: Probing Simultaneous Lewis Acidity and Basicity at Internally Solvated P(III) Centers.","Inorganic chemistry","2017","","","","","10.1021/acs.inorgchem.7b00278","","x-ray","0.71073","MoKα","","0.0416","0.0395","","","0.0734","0.0739","","","","","","1.311","","","","has coordinates","204145","2020-10-21","18:00:00",""
"4345973","18.399","0.0002","12.17869","0.00014","9.99371","0.00012","90","","90","","90","","2239.35","0.04","100","0.1","100","0.1","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C20 H19 I3 N P -","- C20 H19 I3 N P -","- C80 H76 I12 N4 P4 -","4","1","","Borys, Andryj M.; Clark, Ewan R.","Adducts of Donor-Functionalized Ar3P with the Soft Lewis Acid I2: Probing Simultaneous Lewis Acidity and Basicity at Internally Solvated P(III) Centers.","Inorganic chemistry","2017","","","","","10.1021/acs.inorgchem.7b00278","","x-ray","0.71073","MoKα","","0.0256","0.0253","","","0.0703","0.0706","","","","","","1.125","","","","has coordinates","204145","2020-10-21","18:00:00",""
"4345974","16.4177","0.0005","16.4177","0.0005","16.4177","0.0005","90","","90","","90","","4425.2","0.2","100","1","100","1","","","","","","","","6","P 21 3","P 2ac 2ab 3","198","","","","- C36 H61 Cl4 Co N11 O2 -","- C36 H60.9996 Cl4.0002 Co N11 O2 -","- C144 H243.998 Cl16.0008 Co4 N44 O8 -","4","0.333333","","El-Khatib, Fatima; Cahier, Benjamin; Shao, Feng; López-Jordà, Maurici; Guillot, Régis; Rivière, Eric; Hafez, Hala; Saad, Zeinab; Girerd, Jean-Jacques; Guihéry, Nathalie; Mallah, Talal","Design and Magnetic Properties of a Mononuclear Co(II) Single Molecule Magnet and Its Antiferromagnetically Coupled Binuclear Derivative.","Inorganic chemistry","2017","","","","","10.1021/acs.inorgchem.7b00205","","x-ray","0.71073","MoKα","","0.076","0.0663","","","0.1717","0.1824","","","","","","1.069","","","","has coordinates","198955","2020-10-21","18:00:00",""
"4345975","10.8717","0.0004","11.1644","0.0004","17.4203","0.0007","74.358","0.002","78.509","0.002","62.115","0.002","1793.03","0.12","110","","110","","","","","","","","","6","P -1","-P 1","2","","","","- C29 H33 F6 O6 S2 Sb -","- C29 H33 F6 O6 S2 Sb -","- C58 H66 F12 O12 S4 Sb2 -","2","1","","Yang, Mengxi; Gabbaï, François P","Synthesis and Properties of Triarylhalostibonium Cations.","Inorganic chemistry","2017","56","15","8644","8650","10.1021/acs.inorgchem.7b00293","","","0.71073","MoKα","","0.0559","0.0436","","","0.0894","0.0957","","","","","","1.034","","","","has coordinates,has disorder","200152","2020-10-21","18:00:00",""
"4345976","8.5391","0.0003","27.6302","0.0011","8.3426","0.0003","90","","95.24","0.002","90","","1960.1","0.13","110","","110","","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C19 H15 F4 O3 S Sb -","- C19 H15 F4 O3 S Sb -","- C76 H60 F16 O12 S4 Sb4 -","4","1","","Yang, Mengxi; Gabbaï, François P","Synthesis and Properties of Triarylhalostibonium Cations.","Inorganic chemistry","2017","56","15","8644","8650","10.1021/acs.inorgchem.7b00293","","","0.71073","MoKα","","0.0235","0.0214","","","0.047","0.0479","","","","","","1.094","","","","has coordinates","200152","2020-10-21","18:00:00",""
"4345977","27.1408","0.001","27.1408","0.001","12.7751","0.0006","90","","90","","120","","8149.7","0.6","110.15","","110.15","","","","","","","","","6","R 3","R 3","146","","","","- C28 H33 F4 O3 S Sb -","- C28 H33 F3.99993 O2.99993 S0.999975 Sb -","- C336 H396 F47.9991 O35.9991 S11.9997 Sb12 -","12","","","Yang, Mengxi; Gabbaï, François P","Synthesis and Properties of Triarylhalostibonium Cations.","Inorganic chemistry","2017","56","15","8644","8650","10.1021/acs.inorgchem.7b00293","","","0.71073","MoKα","","0.0691","0.0601","","","0.0963","0.1015","","","","","","1.078","","","","has coordinates,has disorder","200152","2020-10-21","18:00:00",""
"4345978","13.1353","0.0006","14.9499","0.0006","21.8393","0.001","90","","90","","90","","4288.6","0.3","110","2","110","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C29 H33 Cl11 Sb2 -","- C29 H33 Cl11 Sb2 -","- C116 H132 Cl44 Sb8 -","4","1","","Yang, Mengxi; Gabbaï, François P","Synthesis and Properties of Triarylhalostibonium Cations.","Inorganic chemistry","2017","56","15","8644","8650","10.1021/acs.inorgchem.7b00293","","","0.71073","MoKα","","0.0812","0.052","","","0.1239","0.1421","","","","","","1.032","","","","has coordinates","200152","2020-10-21","18:00:00",""
"4345979","10.2678","0.0008","12.7918","0.001","18.0561","0.0017","90","","104.478","0.003","90","","2296.2","0.3","110","2","110","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C27 H33 F2 Sb -","- C27 H33 F2 Sb -","- C108 H132 F8 Sb4 -","4","0.5","","Yang, Mengxi; Gabbaï, François P","Synthesis and Properties of Triarylhalostibonium Cations.","Inorganic chemistry","2017","56","15","8644","8650","10.1021/acs.inorgchem.7b00293","","","0.71073","MoKα","","0.019","0.0183","","","0.0485","0.0489","","","","","","1.098","","","","has coordinates","200152","2020-10-21","18:00:00",""
"4348648","15.2994","0.0003","13.1099","0.0003","18.3192","0.0004","90","","93.079","0.002","90","","3669.04","0.14","296","2","296","2","","","","","","","Synthesis","6","P 1 21/c 1","-P 2ybc","14","","Unk","","- C70 H80 Cl2 Fe2 N10 O15 -","- C70 H80 Cl2 Fe2 N10 O15 -","- C140 H160 Cl4 Fe4 N20 O30 -","2","0.5","","Paul, Ganesh Chandra; Banerjee, Sridhar; Mukherjee, Chandan","Dioxygen Reactivity of an Iron Complex of 2-Aminophenol-Appended Ligand: Crystallographic Evidence of the Aromatic Ring Cleavage Product of the 2-Aminophenol Unit.","Inorganic chemistry","2017","56","2","729","736","10.1021/acs.inorgchem.6b01474","","x-ray","0.71073","MoKα","","0.0595","0.0458","","","0.1091","0.1178","","","","","","1.049","","","","has coordinates","233223","2020-10-21","18:00:00",""
"4349122","13.368","0.0001","13.368","0.0001","19.0237","0.0002","90","","90","","120","","2944.14","0.04","90","2","90","2","","","","","","","","6","P 63/m","-P 6c","176","","","","- C62 H50 Cl Fe3 N4 O17 -","- C61.9998 H49.9998 Cl1.0002 Fe3 N4.0002 O17.0008 -","- C124 H99.9996 Cl2.0004 Fe6 N8.0004 O34.0016 -","2","0.166667","","Georgopoulou, Anastasia N.; Margiolaki, Irene; Psycharis, Vassilis; Boudalis, Athanassios K.","Dynamic versus Static Character of the Magnetic Jahn-Teller Effect: Magnetostructural Studies of [Fe<sub>3</sub>O(O<sub>2</sub>CPh)<sub>6</sub>(py)<sub>3</sub>]ClO<sub>4</sub>·py.","Inorganic chemistry","2017","56","2","762","772","10.1021/acs.inorgchem.6b01912","","","0.7","synchrotron","","0.0285","0.0269","","","0.0759","0.0783","","","","","","1.041","","","","has coordinates,has disorder","233603","2020-10-21","18:00:00",""
"4349251","9.0475","0.0014","9.1453","0.0015","15.983","0.003","78.583","0.011","77.92","0.011","85.521","0.011","1266.7","0.4","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","","","- C28 H24 N2 O6 Zn -","- C28 H24 N2 O6 Zn -","- C56 H48 N4 O12 Zn2 -","2","1","","Song, Jeong Hwa; Kim, Yeonga; Lim, Kwang Soo; Kang, Dong Won; Lee, Woo Ram; Hong, Chang Seop","Phase Transformation, Exceptional Quenching Efficiency, and Discriminative Recognition of Nitroaromatic Analytes in Hydrophobic, Nonporous Zn(II) Coordination Frameworks.","Inorganic chemistry","2017","56","1","305","312","10.1021/acs.inorgchem.6b02178","","","0.71073","MoKα","","0.0811","0.0531","","","0.1133","0.1243","","","","","","1.065","","","","has coordinates","233765","2020-10-21","18:00:00",""
"4349252","6.246","0.002","16.761","0.006","24.627","0.009","90","","90","","90","","2578.2","1.6","100","2","100","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C30 H28 N2 O6 Zn -","- C30 H28 N2 O6 Zn -","- C120 H112 N8 O24 Zn4 -","4","1","","Song, Jeong Hwa; Kim, Yeonga; Lim, Kwang Soo; Kang, Dong Won; Lee, Woo Ram; Hong, Chang Seop","Phase Transformation, Exceptional Quenching Efficiency, and Discriminative Recognition of Nitroaromatic Analytes in Hydrophobic, Nonporous Zn(II) Coordination Frameworks.","Inorganic chemistry","2017","56","1","305","312","10.1021/acs.inorgchem.6b02178","","","0.71073","MoKα","","0.1078","0.0661","","","0.1392","0.167","","","","","","0.948","","","","has coordinates","233765","2020-10-21","18:00:00",""
"4349292","10.0036","0.0005","13.3611","0.0007","13.6771","0.0007","90","","90","","90","","1828.07","0.16","160","2","160","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C16 H24 Cl2 N4 O0 Ru -","- C16 H24 Cl2 N4 Ru -","- C64 H96 Cl8 N16 Ru4 -","4","1","","Guan, Chao; Zhang, Dan-Dan; Pan, Yupeng; Iguchi, Masayuki; Ajitha, Manjaly J.; Hu, Jinsong; Li, Huaifeng; Yao, Changguang; Huang, Mei-Hui; Min, Shixiong; Zheng, Junrong; Himeda, Yuichiro; Kawanami, Hajime; Huang, Kuo-Wei","Dehydrogenation of Formic Acid Catalyzed by a Ruthenium Complex with an N,N'-Diimine Ligand.","Inorganic chemistry","2017","56","1","438","445","10.1021/acs.inorgchem.6b02334","","","1.54178","CuKα","","0.0297","0.029","","","0.0774","0.0818","","","","","","1.101","","","","has coordinates","233825","2020-10-21","18:00:00",""
"4349316","27.2428","0.0013","8.729","0.0004","13.3472","0.0006","90","","90","","90","","3174","0.3","120","","120","","","","","","","","","6","P c a 21","P 2c -2ac","29","","","","- C35 H37 Co N2 O3 P2 -","- C35 H37 Co N2 O3 P2 -","- C140 H148 Co4 N8 O12 P8 -","4","1","","Bezpalko, Mark W.; Poitras, Andrew M.; Foxman, Bruce M.; Thomas, Christine M.","Cobalt N-Heterocyclic Phosphenium Complexes Stabilized by a Chelating Framework: Synthesis and Redox Properties.","Inorganic chemistry","2017","56","1","503","510","10.1021/acs.inorgchem.6b02374","","","0.71073","MoKα","","0.0323","0.0282","","0.0667","0.0649","0.0667","","","","","","0.9948","","","","has coordinates","233848","2020-10-21","18:00:00",""
"4349317","9.1093","0.0006","37.469","0.002","10.6957","0.0007","90","","107.623","0.0011","90","","3479.3","0.4","120","","120","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C35 H47 Co N2 P4 -","- C35 H47 Co N2 P4 -","- C140 H188 Co4 N8 P16 -","4","1","","Bezpalko, Mark W.; Poitras, Andrew M.; Foxman, Bruce M.; Thomas, Christine M.","Cobalt N-Heterocyclic Phosphenium Complexes Stabilized by a Chelating Framework: Synthesis and Redox Properties.","Inorganic chemistry","2017","56","1","503","510","10.1021/acs.inorgchem.6b02374","","","0.71073","MoKα","","0.0528","0.0348","","0.0762","0.0719","0.0762","","","","","","1","","","","has coordinates","233848","2020-10-21","18:00:00",""
"4349320","6.9323","0.0005","7.5416","0.0005","12.9399","0.0011","99.422","0.007","91.316","0.006","102.579","0.007","650.15","0.09","85","2","85","2","","","","","","","","5","P -1","-P 1","2","","","","- C12 H24 N18 Ni O12 -","- C12 H24 N18 Ni O12 -","- C12 H24 N18 Ni O12 -","1","0.5","","Seth, Saona; Matzger, Adam J.","Coordination Polymerization of 5,5'-Dinitro-2H,2H'-3,3'-bi-1,2,4-triazole Leads to a Dense Explosive with High Thermal Stability.","Inorganic chemistry","2017","56","1","561","565","10.1021/acs.inorgchem.6b02383","","","1.54178","CuKα","","0.0868","0.0721","","","0.1781","0.1847","","","","","","0.946","","","","has coordinates","233851","2020-10-21","18:00:00",""
"4349321","8.3638","0.0002","11.3712","0.0008","11.5116","0.0002","94.293","0.005","95.368","0.007","98.813","0.005","1072.72","0.08","85","2","85","2","","","","","","","","5","P -1","-P 1","2","","","","- C20 H22 Cu4 N34 O19 -","- C20 H22 Cu4 N34 O19 -","- C20 H22 Cu4 N34 O19 -","1","0.5","","Seth, Saona; Matzger, Adam J.","Coordination Polymerization of 5,5'-Dinitro-2H,2H'-3,3'-bi-1,2,4-triazole Leads to a Dense Explosive with High Thermal Stability.","Inorganic chemistry","2017","56","1","561","565","10.1021/acs.inorgchem.6b02383","","","1.54178","CuKα","","0.0657","0.0551","","","0.1591","0.1733","","","","","","1.124","","","","has coordinates","233851","2020-10-21","18:00:00",""
"4349328","27.546","0.0011","27.546","0.0011","27.546","0.0011","90","","90","","90","","20901.4","1.4","100","2","100","2","","","","","","","","4","F m -3 m","-F 4 2 3","225","","","","- C42 H28 O16 Tb3 -","- C42 H28 O16 Tb3 -","- C336 H224 O128 Tb24 -","8","0.0416667","","Gao, Ming-Liang; Wang, Wen-Jing; Liu, Lin; Han, Zheng-Bo; Wei, Na; Cao, Xiao-Man; Yuan, Da-Qiang","Microporous Hexanuclear Ln(III) Cluster-Based Metal-Organic Frameworks: Color Tunability for Barcode Application and Selective Removal of Methylene Blue.","Inorganic chemistry","2017","56","1","511","517","10.1021/acs.inorgchem.6b02413","","","0.71073","MoKα","","0.088","0.0655","","","0.1656","0.1965","","","","","","1.126","","","","has coordinates","233862","2020-10-21","18:00:00",""
"4349329","27.546","0.0011","27.546","0.0011","27.546","0.0011","90","","90","","90","","20901.4","1.4","100","2","100","2","","","","","","","","4","F m -3 m","-F 4 2 3","225","","","","- C42 H28 Eu3 O16 -","- C42 H28 Eu3 O16 -","- C336 H224 Eu24 O128 -","8","0.0416667","","Gao, Ming-Liang; Wang, Wen-Jing; Liu, Lin; Han, Zheng-Bo; Wei, Na; Cao, Xiao-Man; Yuan, Da-Qiang","Microporous Hexanuclear Ln(III) Cluster-Based Metal-Organic Frameworks: Color Tunability for Barcode Application and Selective Removal of Methylene Blue.","Inorganic chemistry","2017","56","1","511","517","10.1021/acs.inorgchem.6b02413","","","1.54184","CuKα","","0.0686","0.0636","","","0.1681","0.1747","","","","","","1.056","","","","has coordinates","233862","2020-10-21","18:00:00",""
"4349330","10.1776","0.0008","9.2395","0.0007","33.194","0.003","90","","91.948","0.001","90","","3119.6","0.4","173","2","173","2","","","","","","","","8","P 1 21/c 1","-P 2ybc","14","","","","- C19 H38 Cl3 F3 Fe2 N6 O4 S -","- C19 H38 Cl3 F3 Fe2 N6 O4 S -","- C76 H152 Cl12 F12 Fe8 N24 O16 S4 -","4","1","","Zhou, Ang; Prakash, Jai; Rohde, Gregory T.; Klein, Johannes E. M. N.; Kleespies, Scott T.; Draksharapu, Apparao; Fan, Ruixi; Guo, Yisong; Cramer, Christopher J.; Que, Jr, Lawrence","The Two Faces of Tetramethylcyclam in Iron Chemistry: Distinct Fe-O-M Complexes Derived from [Fe<sup>IV</sup>(O<sub>anti/syn</sub>)(TMC)]<sup>2+</sup> Isomers.","Inorganic chemistry","2017","56","1","518","527","10.1021/acs.inorgchem.6b02417","","","0.71073","MoKα","","0.0658","0.0479","","","0.1056","0.1167","","","","","","1.043","","","","has coordinates,has disorder","233864","2020-10-21","18:00:00",""
"4349331","12.8738","0.0011","12.8805","0.0011","14.9102","0.0012","90","","90","","90","","2472.4","0.4","173","2","173","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C16 H35 Cl4 Fe2 N5 O -","- C16 H35 Cl4 Fe2 N5 O -","- C64 H140 Cl16 Fe8 N20 O4 -","4","1","","Zhou, Ang; Prakash, Jai; Rohde, Gregory T.; Klein, Johannes E. M. N.; Kleespies, Scott T.; Draksharapu, Apparao; Fan, Ruixi; Guo, Yisong; Cramer, Christopher J.; Que, Jr, Lawrence","The Two Faces of Tetramethylcyclam in Iron Chemistry: Distinct Fe-O-M Complexes Derived from [Fe<sup>IV</sup>(O<sub>anti/syn</sub>)(TMC)]<sup>2+</sup> Isomers.","Inorganic chemistry","2017","56","1","518","527","10.1021/acs.inorgchem.6b02417","","","0.71073","MoKα","","0.0257","0.0227","","","0.0502","0.0517","","","","","","1.02","","","","has coordinates","233864","2020-10-21","18:00:00",""
"4349332","32.926","0.013","21.102","0.008","15.364","0.006","90","","90","","90","","10675","7","170","2","170","2","","","","","","","","7","P b c n","-P 2n 2ab","60","","","","- C39 H39 F12 N10 O P2 Ru -","- C39 H39 F9 N10 O P1.5 Ru -","- C312 H312 F72 N80 O8 P12 Ru8 -","8","1","","Ito, Akitaka; Kobayashi, Nozomi; Teki, Yoshio","Low-Energy and Long-Lived Emission from Polypyridyl Ruthenium(II) Complexes Having A Stable-Radical Substituent.","Inorganic chemistry","2017","56","7","3794","3808","10.1021/acs.inorgchem.6b02470","","","0.7107","MoKα","","0.1518","0.133","","","0.3791","0.4041","","","","","","1.678","","","","has coordinates","233865","2020-10-21","18:00:00",""
"4349351","13.9174","0.001","15.0132","0.0011","16.1501","0.0012","90","","115.496","0.002","90","","3045.9","0.4","100","2","100","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C105.38 H85.9 In4 N7.13 O35.13 S8 -","- C105.384 H85.896 In4 N7.128 O35.128 S8 -","- C105.384 H85.896 In4 N7.128 O35.128 S8 -","1","0.125","","Bellas, Michael K.; Mihaly, Joseph J.; Zeller, Matthias; Genna, Douglas T.","Anion-Cation Mediated Structural Rearrangement of an In-derived Three-Dimensional Interpenetrated Metal-Organic Framework.","Inorganic chemistry","2017","56","2","950","955","10.1021/acs.inorgchem.6b02584","","","0.71073","MoKα","","0.067","0.0585","","","0.1443","0.1526","","","","","","1.03","","","","has coordinates,has disorder","233888","2020-10-21","18:00:00",""
"4349352","16.712","0.002","6.8568","0.0009","18.657","0.002","90","","91.358","0.002","90","","2137.3","0.4","173","1","173","1","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C12 B F27 O3 -","- C12 B F27 O3 -","- C48 B4 F108 O12 -","4","1","","LeBlanc, Francis A.; Decken, Andreas; Cameron, T. Stanley; Passmore, Jack; Rautiainen, J. Mikko; Whidden, Thomas K.","Synthesis, Characterization, and Properties of Weakly Coordinating Anions Based on tris-Perfluoro-tert-Butoxyborane.","Inorganic chemistry","2017","56","2","974","983","10.1021/acs.inorgchem.6b02670","","x-ray","0.71073","MoKα","","0.0795","0.0612","","","0.1741","0.1996","","","","","","1.022","","","","has coordinates","233890","2020-10-21","18:00:00",""
"4349353","16.6336","0.0013","10.6734","0.0006","19.3376","0.0009","90","","103.307","0.006","90","","3341","0.4","150.03","0.1","150.03","0.1","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C36 H50 La N2 -","- C36 H50 La N2 -","- C144 H200 La4 N8 -","4","1","","Ortu, Fabrizio; Liu, Jingjing; Burton, Matthew; Fowler, Jonathan M.; Formanuik, Alasdair; Boulon, Marie-Emmanuelle; Chilton, Nicholas F.; Mills, David P.","Analysis of Lanthanide-Radical Magnetic Interactions in Ce(III) 2,2'-Bipyridyl Complexes.","Inorganic chemistry","2017","56","5","2496","2505","10.1021/acs.inorgchem.6b02683","","","0.71073","MoKα","","0.0852","0.0539","","","0.0924","0.1032","","","","","","1.022","","","","has coordinates","233893","2020-10-21","18:00:00",""
"4349354","16.575","0.0011","10.6089","0.0005","19.2302","0.0009","90","","103.121","0.006","90","","3293.2","0.3","120.01","0.1","120.01","0.1","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C36 H50 Ce N2 -","- C36 H50 Ce N2 -","- C144 H200 Ce4 N8 -","4","1","","Ortu, Fabrizio; Liu, Jingjing; Burton, Matthew; Fowler, Jonathan M.; Formanuik, Alasdair; Boulon, Marie-Emmanuelle; Chilton, Nicholas F.; Mills, David P.","Analysis of Lanthanide-Radical Magnetic Interactions in Ce(III) 2,2'-Bipyridyl Complexes.","Inorganic chemistry","2017","56","5","2496","2505","10.1021/acs.inorgchem.6b02683","","","0.71073","MoKα","","0.0752","0.0516","","","0.0671","0.0744","","","","","","1.037","","","","has coordinates,has disorder","233893","2020-10-21","18:00:00",""
"4349355","11.1559","0.0002","17.1622","0.0003","19.284","0.0003","90","","90","","90","","3692.11","0.11","100","2","100","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C32 H50 Ce N2 Si4 -","- C32 H50 Ce N2 Si4 -","- C128 H200 Ce4 N8 Si16 -","4","1","","Ortu, Fabrizio; Liu, Jingjing; Burton, Matthew; Fowler, Jonathan M.; Formanuik, Alasdair; Boulon, Marie-Emmanuelle; Chilton, Nicholas F.; Mills, David P.","Analysis of Lanthanide-Radical Magnetic Interactions in Ce(III) 2,2'-Bipyridyl Complexes.","Inorganic chemistry","2017","56","5","2496","2505","10.1021/acs.inorgchem.6b02683","","","1.54178","CuKα","","0.0366","0.0355","","","0.0843","0.085","","","","","","1.057","","","","has coordinates","233893","2020-10-21","18:00:00",""
"4349356","17.9857","0.0014","18.2507","0.0017","28.791","0.003","90","","90","","90","","9450.7","1.5","150.03","0.1","150.03","0.1","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C38 H66 Ce N2 Si6 -","- C38 H66 Ce N2 Si6 -","- C304 H528 Ce8 N16 Si48 -","8","1","","Ortu, Fabrizio; Liu, Jingjing; Burton, Matthew; Fowler, Jonathan M.; Formanuik, Alasdair; Boulon, Marie-Emmanuelle; Chilton, Nicholas F.; Mills, David P.","Analysis of Lanthanide-Radical Magnetic Interactions in Ce(III) 2,2'-Bipyridyl Complexes.","Inorganic chemistry","2017","56","5","2496","2505","10.1021/acs.inorgchem.6b02683","","x-ray","0.71073","MoKα","","0.169","0.0674","","","0.1017","0.1335","","","","","","1.001","","","","has coordinates","233893","2020-10-21","18:00:00",""
"4349357","10.5116","0.0003","11.3423","0.0004","23.8269","0.0011","90.556","0.003","98.291","0.003","104.438","0.003","2719.22","0.18","120.02","0.1","120.02","0.1","","","","","","","","4","P -1","-P 1","2","","","","- C52 H84 I2 La2 -","- C52 H84 I2 La2 -","- C104 H168 I4 La4 -","2","1","","Ortu, Fabrizio; Liu, Jingjing; Burton, Matthew; Fowler, Jonathan M.; Formanuik, Alasdair; Boulon, Marie-Emmanuelle; Chilton, Nicholas F.; Mills, David P.","Analysis of Lanthanide-Radical Magnetic Interactions in Ce(III) 2,2'-Bipyridyl Complexes.","Inorganic chemistry","2017","56","5","2496","2505","10.1021/acs.inorgchem.6b02683","","","0.71073","MoKα","","0.082","0.0658","","","0.1324","0.1388","","","","","","1.297","","","","has coordinates","233893","2020-10-21","18:00:00",""
"4349358","7.578","0.002","12.283","0.004","19.57","0.007","82.22","0.03","88.66","0.03","76.64","0.02","1755.9","1","150.02","0.11","150.02","0.11","","","","","","","","5","P -1","-P 1","2","","","","- C36 H48 K2 N4 O4 -","- C36 H48 K2 N4 O4 -","- C72 H96 K4 N8 O8 -","2","1","","Ortu, Fabrizio; Liu, Jingjing; Burton, Matthew; Fowler, Jonathan M.; Formanuik, Alasdair; Boulon, Marie-Emmanuelle; Chilton, Nicholas F.; Mills, David P.","Analysis of Lanthanide-Radical Magnetic Interactions in Ce(III) 2,2'-Bipyridyl Complexes.","Inorganic chemistry","2017","56","5","2496","2505","10.1021/acs.inorgchem.6b02683","","x-ray","0.71073","MoKα","","0.3122","0.1067","","","0.2141","0.2996","","","","","","0.968","","","","has coordinates,has disorder","233893","2020-10-21","18:00:00",""
"4349359","23.214","0.0007","18.5597","0.0004","23.8999","0.0008","90","","112.663","0.004","90","","9502.1","0.5","150","2","150","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C90 H120 Ce2 N4 O2 Si8 -","- C90 H120 Ce2 N4 O2 Si8 -","- C360 H480 Ce8 N16 O8 Si32 -","4","1","","Ortu, Fabrizio; Liu, Jingjing; Burton, Matthew; Fowler, Jonathan M.; Formanuik, Alasdair; Boulon, Marie-Emmanuelle; Chilton, Nicholas F.; Mills, David P.","Analysis of Lanthanide-Radical Magnetic Interactions in Ce(III) 2,2'-Bipyridyl Complexes.","Inorganic chemistry","2017","56","5","2496","2505","10.1021/acs.inorgchem.6b02683","","x-ray","1.54184","CuKα","","0.1556","0.1053","","","0.2518","0.289","","","","","","1.042","","","","has coordinates,has disorder","233893","2020-10-21","18:00:00",""
"4349360","21.1853","0.0007","19.5732","0.0006","21.1347","0.0007","90","","108.879","0.004","90","","8292.3","0.5","100","2","100","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C87 H106 Ce2 O4 Si6 -","- C87 H106 Ce2 O4 Si6 -","- C348 H424 Ce8 O16 Si24 -","4","0.5","","Ortu, Fabrizio; Liu, Jingjing; Burton, Matthew; Fowler, Jonathan M.; Formanuik, Alasdair; Boulon, Marie-Emmanuelle; Chilton, Nicholas F.; Mills, David P.","Analysis of Lanthanide-Radical Magnetic Interactions in Ce(III) 2,2'-Bipyridyl Complexes.","Inorganic chemistry","2017","56","5","2496","2505","10.1021/acs.inorgchem.6b02683","","","1.54184","CuKα","","0.0744","0.0485","","","0.1007","0.1131","","","","","","1.03","","","","has coordinates,has disorder","233893","2020-10-21","18:00:00",""
"4349362","11.5406","0.0005","10.45","0.0005","14.9894","0.0006","90","","99.553","0.003","90","","1782.64","0.14","100","2","100","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C48 H39 Fe4 N3 -","- C48 H39 Fe4 N3 -","- C96 H78 Fe8 N6 -","2","0.5","","Zatsikha, Yuriy V.; Holstrom, Cole D.; Chanawanno, Kullapa; Osinski, Allen J.; Ziegler, Christopher J.; Nemykin, Victor N.","Observation of the Strong Electronic Coupling in Near-Infrared-Absorbing Tetraferrocene aza-Dipyrromethene and aza-BODIPY with Direct Ferrocene-α- and Ferrocene-β-Pyrrole Bonds: Toward Molecular Machinery with Four-Bit Information Storage Capacity.","Inorganic chemistry","2017","56","2","991","1000","10.1021/acs.inorgchem.6b02806","","","1.54178","CuKα","","0.0929","0.0652","","","0.1676","0.1885","","","","","","1.054","","","","has coordinates,has disorder","233897","2020-10-21","18:00:00",""
"4349363","11.843","0.003","22.139","0.005","14.179","0.003","90","","89.988","0.003","90","","3717.6","1.5","100","2","100","2","","","","","","","","9","P 1 21/m 1","-P 2yb","11","","","","- C33 H55 B Cl F4 N O2 Os P2 -","- C33 H55 B Cl F4 N O2 Os P2 -","- C132 H220 B4 Cl4 F16 N4 O8 Os4 P8 -","4","1","","Esteruelas, Miguel A.; García-Yebra, Cristina; Martín, Jaime; Oñate, Enrique","mer, fac, and Bidentate Coordination of an Alkyl-POP Ligand in the Chemistry of Nonclassical Osmium Hydrides.","Inorganic chemistry","2017","56","1","676","683","10.1021/acs.inorgchem.6b02837","","","0.71073","MoKα","","0.082","0.0521","","","0.1143","0.1289","","","","","","1.022","","","","has coordinates,has disorder","233900","2020-10-21","18:00:00",""
"4349364","12.9473","0.0015","20.565","0.002","12.0926","0.0014","90","","93.005","0.002","90","","3215.4","0.6","100","2","100","2","","","","","","","","8","P 1 21/c 1","-P 2ybc","14","","","","- C55 H86 B2 Cl4 F8 O2 Os2 P4 -","- C55 H86 B2 Cl4 F8 O2 Os2 P4 -","- C110 H172 B4 Cl8 F16 O4 Os4 P8 -","2","0.5","","Esteruelas, Miguel A.; García-Yebra, Cristina; Martín, Jaime; Oñate, Enrique","mer, fac, and Bidentate Coordination of an Alkyl-POP Ligand in the Chemistry of Nonclassical Osmium Hydrides.","Inorganic chemistry","2017","56","1","676","683","10.1021/acs.inorgchem.6b02837","","","0.71073","MoKα","","0.0515","0.0394","","","0.0983","0.1061","","","","","","0.935","","","","has coordinates,has disorder","233900","2020-10-21","18:00:00",""
"4349365","16.2471","0.001","21.4146","0.0013","10.2694","0.0006","90","","104.662","0.001","90","","3456.6","0.4","100","2","100","2","","","","","","","","8","C 1 c 1","C -2yc","9","","","","- C26 H39 Cl F6 O7 Os P2 S2 -","- C26 H39 Cl F6 O7 Os P2 S2 -","- C104 H156 Cl4 F24 O28 Os4 P8 S8 -","4","1","","Esteruelas, Miguel A.; García-Yebra, Cristina; Martín, Jaime; Oñate, Enrique","mer, fac, and Bidentate Coordination of an Alkyl-POP Ligand in the Chemistry of Nonclassical Osmium Hydrides.","Inorganic chemistry","2017","56","1","676","683","10.1021/acs.inorgchem.6b02837","","","0.71073","MoKα","","0.032","0.0277","","","0.0536","0.0555","","","","","","1.022","","","","has coordinates","233900","2020-10-21","18:00:00",""
"4349366","17.0875","0.0009","15.2536","0.0008","19.5724","0.001","90","","109.627","0.001","90","","4805.1","0.4","100","2","100","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C43.5 H79 K O7.5 Os P2 -","- C43.5 H79 K O7.5 Os P2 -","- C174 H316 K4 O30 Os4 P8 -","4","1","","Esteruelas, Miguel A.; García-Yebra, Cristina; Martín, Jaime; Oñate, Enrique","mer, fac, and Bidentate Coordination of an Alkyl-POP Ligand in the Chemistry of Nonclassical Osmium Hydrides.","Inorganic chemistry","2017","56","1","676","683","10.1021/acs.inorgchem.6b02837","","","0.71073","MoKα","","0.0549","0.0386","","","0.0857","0.0946","","","","","","1.031","","","","has coordinates,has disorder","233900","2020-10-21","18:00:00",""
"4349367","7.962","0.002","11.66","0.003","14.579","0.004","74.674","0.006","87.725","0.007","87.251","0.006","1303.3","0.6","100","","100","","","","","","","","","6","P -1","-P 1","2","","","","- C24 H6 Au Cl8 F5 N -","- C24 H6 Au Cl8 F5 N -","- C48 H12 Au2 Cl16 F10 N2 -","2","1","","Ogino, Yasuyo; Kusamoto, Tetsuro; Hattori, Yohei; Shimada, Masaki; Tsuchiya, Mizuho; Yamanoi, Yoshinori; Nishibori, Eiji; Sugimoto, Kunihisa; Nishihara, Hiroshi","Solvent-Controlled Doublet Emission of an Organometallic Gold(I) Complex with a Polychlorinated Diphenyl(4-pyridyl)methyl Radical Ligand: Dual Fluorescence and Enhanced Emission Efficiency.","Inorganic chemistry","2017","56","7","3909","3915","10.1021/acs.inorgchem.6b02864","","","0.354","synchrotron","","","0.0446","","","","0.114","","","","","","1.048","","","","has coordinates","233902","2020-10-21","18:00:00",""
"4349368","8.929","0.004","11.703","0.005","14.735","0.006","96.328","0.007","103.92","0.006","98.454","0.006","1461.2","1.1","200","2","200","2","","","","","","","","4","P -1","-P 1","2","CuL1(CNAr)","","","- C32 H39 Cu N4 -","- C32 H39 Cu N4 -","- C64 H78 Cu2 N8 -","2","1","","Chuang, Wan-Jung; Hsu, Sung-Po; Chand, Kuldeep; Yu, Fu-Lun; Tsai, Cheng-Long; Tseng, Yu-Hsuan; Lu, Yuh-Hsiu; Kuo, Jen-Yu; Carey, James R.; Chen, Hsuan-Ying; Chen, Hsing-Yin; Chiang, Michael Y.; Hsu, Sodio C. N.","Reactivity Study of Unsymmetrical β-Diketiminato Copper(I) Complexes: Effect of the Chelating Ring.","Inorganic chemistry","2017","56","5","2722","2735","10.1021/acs.inorgchem.6b02876","","","0.71073","MoKα","","0.0661","0.0469","","","0.1219","0.135","","","","","","1.034","","","","has coordinates","233904","2020-10-21","18:00:00",""
"4349369","21.188","0.007","8.559","0.003","18.168","0.006","90","","111.53","0.013","90","","3064.8","1.8","200","2","200","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","CuL2(CNAr)","","","- C33 H41 Cu N4 -","- C33 H41 Cu N4 -","- C132 H164 Cu4 N16 -","4","1","","Chuang, Wan-Jung; Hsu, Sung-Po; Chand, Kuldeep; Yu, Fu-Lun; Tsai, Cheng-Long; Tseng, Yu-Hsuan; Lu, Yuh-Hsiu; Kuo, Jen-Yu; Carey, James R.; Chen, Hsuan-Ying; Chen, Hsing-Yin; Chiang, Michael Y.; Hsu, Sodio C. N.","Reactivity Study of Unsymmetrical β-Diketiminato Copper(I) Complexes: Effect of the Chelating Ring.","Inorganic chemistry","2017","56","5","2722","2735","10.1021/acs.inorgchem.6b02876","","","0.71073","MoKα","","0.2128","0.0821","","","0.1797","0.2512","","","","","","0.863","","","","has coordinates","233904","2020-10-21","18:00:00",""
"4349370","11.2307","0.0007","29.702","0.002","7.86","0.0005","90","","93.867","0.001","90","","2615.9","0.3","200","2","200","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","CuL3(CNAr)","","","- C29 H33 Cu N4 -","- C29 H33 Cu N4 -","- C116 H132 Cu4 N16 -","4","1","","Chuang, Wan-Jung; Hsu, Sung-Po; Chand, Kuldeep; Yu, Fu-Lun; Tsai, Cheng-Long; Tseng, Yu-Hsuan; Lu, Yuh-Hsiu; Kuo, Jen-Yu; Carey, James R.; Chen, Hsuan-Ying; Chen, Hsing-Yin; Chiang, Michael Y.; Hsu, Sodio C. N.","Reactivity Study of Unsymmetrical β-Diketiminato Copper(I) Complexes: Effect of the Chelating Ring.","Inorganic chemistry","2017","56","5","2722","2735","10.1021/acs.inorgchem.6b02876","","","0.71073","MoKα","","0.0524","0.0435","","","0.1169","0.1215","","","","","","1.045","","","","has coordinates","233904","2020-10-21","18:00:00",""
"4349371","10.8207","0.0002","11.6884","0.0002","12.1879","0.0002","85.131","0.001","64.783","0.001","79.592","0.001","1371.58","0.04","200","2","200","2","","","","","","","","4","P -1","-P 1","2","CuL4(CNAr)","","","- C30 H35 Cu N4 -","- C30 H35 Cu N4 -","- C60 H70 Cu2 N8 -","2","1","","Chuang, Wan-Jung; Hsu, Sung-Po; Chand, Kuldeep; Yu, Fu-Lun; Tsai, Cheng-Long; Tseng, Yu-Hsuan; Lu, Yuh-Hsiu; Kuo, Jen-Yu; Carey, James R.; Chen, Hsuan-Ying; Chen, Hsing-Yin; Chiang, Michael Y.; Hsu, Sodio C. N.","Reactivity Study of Unsymmetrical β-Diketiminato Copper(I) Complexes: Effect of the Chelating Ring.","Inorganic chemistry","2017","56","5","2722","2735","10.1021/acs.inorgchem.6b02876","","","0.71073","MoKα","","0.0532","0.0452","","","0.1312","0.1466","","","","","","1.07","","","","has coordinates","233904","2020-10-21","18:00:00",""
"4349372","8.8242","0.0003","10.9416","0.0004","18.8113","0.0007","85.164","0.002","86.648","0.002","79.489","0.002","1777.69","0.11","200","2","200","2","","","","","","","","5","P -1","-P 1","2","CuL1(PPh3)","","","- C41 H45 Cu N3 P -","- C41 H45 Cu N3 P -","- C82 H90 Cu2 N6 P2 -","2","1","","Chuang, Wan-Jung; Hsu, Sung-Po; Chand, Kuldeep; Yu, Fu-Lun; Tsai, Cheng-Long; Tseng, Yu-Hsuan; Lu, Yuh-Hsiu; Kuo, Jen-Yu; Carey, James R.; Chen, Hsuan-Ying; Chen, Hsing-Yin; Chiang, Michael Y.; Hsu, Sodio C. N.","Reactivity Study of Unsymmetrical β-Diketiminato Copper(I) Complexes: Effect of the Chelating Ring.","Inorganic chemistry","2017","56","5","2722","2735","10.1021/acs.inorgchem.6b02876","","","0.71073","MoKα","","0.0416","0.0358","","","0.0954","0.0987","","","","","","1.025","","","","has coordinates","233906","2020-10-21","18:00:00",""
"4349373","12.0159","0.0006","12.7595","0.0006","13.0422","0.0006","94.159","0.003","98.707","0.003","109.377","0.003","1848.36","0.16","200","2","200","2","","","","","","","","5","P -1","-P 1","2","CuL2(PPh3)","","","- C42 H47 Cu N3 P -","- C42 H47 Cu N3 P -","- C84 H94 Cu2 N6 P2 -","2","1","","Chuang, Wan-Jung; Hsu, Sung-Po; Chand, Kuldeep; Yu, Fu-Lun; Tsai, Cheng-Long; Tseng, Yu-Hsuan; Lu, Yuh-Hsiu; Kuo, Jen-Yu; Carey, James R.; Chen, Hsuan-Ying; Chen, Hsing-Yin; Chiang, Michael Y.; Hsu, Sodio C. N.","Reactivity Study of Unsymmetrical β-Diketiminato Copper(I) Complexes: Effect of the Chelating Ring.","Inorganic chemistry","2017","56","5","2722","2735","10.1021/acs.inorgchem.6b02876","","","0.71073","MoKα","","0.0711","0.0486","","","0.1141","0.1256","","","","","","1.065","","","","has coordinates","233906","2020-10-21","18:00:00",""
"4349374","13.1304","0.0017","9.9175","0.0012","25.712","0.003","90","","91.816","0.002","90","","3346.6","0.7","200","2","200","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","CuL3(PPh3)","","","- C38 H39 Cu N3 P -","- C38 H39 Cu N3 P -","- C152 H156 Cu4 N12 P4 -","4","1","","Chuang, Wan-Jung; Hsu, Sung-Po; Chand, Kuldeep; Yu, Fu-Lun; Tsai, Cheng-Long; Tseng, Yu-Hsuan; Lu, Yuh-Hsiu; Kuo, Jen-Yu; Carey, James R.; Chen, Hsuan-Ying; Chen, Hsing-Yin; Chiang, Michael Y.; Hsu, Sodio C. N.","Reactivity Study of Unsymmetrical β-Diketiminato Copper(I) Complexes: Effect of the Chelating Ring.","Inorganic chemistry","2017","56","5","2722","2735","10.1021/acs.inorgchem.6b02876","","","0.71073","MoKα","","0.0473","0.0362","","","0.0972","0.1087","","","","","","1.097","","","","has coordinates","233906","2020-10-21","18:00:00",""
"4349375","9.6205","0.0014","13.5834","0.0019","14.955","0.002","64.672","0.004","78.604","0.004","71.832","0.004","1673.7","0.4","200","2","200","2","","","","","","","","5","P -1","-P 1","2","CuL4(PPh3)","","","- C39 H41 Cu N3 P -","- C39 H41 Cu N3 P -","- C78 H82 Cu2 N6 P2 -","2","1","","Chuang, Wan-Jung; Hsu, Sung-Po; Chand, Kuldeep; Yu, Fu-Lun; Tsai, Cheng-Long; Tseng, Yu-Hsuan; Lu, Yuh-Hsiu; Kuo, Jen-Yu; Carey, James R.; Chen, Hsuan-Ying; Chen, Hsing-Yin; Chiang, Michael Y.; Hsu, Sodio C. N.","Reactivity Study of Unsymmetrical β-Diketiminato Copper(I) Complexes: Effect of the Chelating Ring.","Inorganic chemistry","2017","56","5","2722","2735","10.1021/acs.inorgchem.6b02876","","","0.71073","MoKα","","0.0791","0.0509","","","0.118","0.1312","","","","","","1.023","","","","has coordinates","233906","2020-10-21","18:00:00",""
"4349376","9.6544","0.0005","23.0267","0.0009","12.3254","0.0004","90","","90","","90","","2740","0.2","213","2","213","2","","","","","","","","5","C 2 2 21","C 2c 2","20","","bis-[(S)-4-(1-phenylpropyl)-1,2,4-triazole-N1,N2] hexaoxidodimolybdenum(VI) Monohydrate","","- C22 H28 Mo2 N6 O7 -","- C22 H28 Mo2 N6 O7 -","- C88 H112 Mo8 N24 O28 -","4","0.5","","Lysenko, Andrey B.; Senchyk, Ganna A.; Domasevitch, Konstantin V.; Kobalz, Merten; Krautscheid, Harald; Cichos, Jakub; Karbowiak, Miroslaw; Neves, Patrícia; Valente, Anabela A.; Gonçalves, Isabel S","Triazolyl, Imidazolyl, and Carboxylic Acid Moieties in the Design of Molybdenum Trioxide Hybrids: Photophysical and Catalytic Behavior.","Inorganic chemistry","2017","56","8","4380","4394","10.1021/acs.inorgchem.6b02986","","","0.71073","MoKα","","0.0293","0.022","","","0.0495","0.0503","","","","","","0.928","","","","has coordinates","288505","2023-12-22","15:12:02",""
"4349377","9.9831","0.0005","13.6626","0.0006","10.1235","0.0005","90","","90.926","0.006","90","","1380.62","0.11","213","2","213","2","","","","","","","","5","P 1 2 1","P 2y","3","","bis-[4-(4-carboxyphenyl)-1,2,4-triazole-N1,N2] dodecaoxidotetramolybdenum(VI) Hemihydrate","","- C18 H15 Mo4 N6 O16.5 -","- C18 H14 Mo4 N6 O16.5 -","- C36 H28 Mo8 N12 O33 -","2","1","","Lysenko, Andrey B.; Senchyk, Ganna A.; Domasevitch, Konstantin V.; Kobalz, Merten; Krautscheid, Harald; Cichos, Jakub; Karbowiak, Miroslaw; Neves, Patrícia; Valente, Anabela A.; Gonçalves, Isabel S","Triazolyl, Imidazolyl, and Carboxylic Acid Moieties in the Design of Molybdenum Trioxide Hybrids: Photophysical and Catalytic Behavior.","Inorganic chemistry","2017","56","8","4380","4394","10.1021/acs.inorgchem.6b02986","","","0.71073","MoKα","","0.016","0.0139","","","0.0305","0.0307","","","","","","0.921","","","","has coordinates","288505","2023-12-22","15:12:02",""
"4349378","7.2937","0.0005","14.4673","0.0011","14.8484","0.0011","117.124","0.008","92.334","0.007","99.015","0.008","1366","0.2","213","2","213","2","","","","","","","","5","P -1","-P 1","2","","bis-[4-(4-carboxyphenyl)-1,2,4-triazole-N1,N2] dodecaoxidotetramolybdenum(VI) Monohydrate","","- C18 H16 Mo4 N6 O17 -","- C18 H16 Mo4 N6 O17 -","- C36 H32 Mo8 N12 O34 -","2","1","","Lysenko, Andrey B.; Senchyk, Ganna A.; Domasevitch, Konstantin V.; Kobalz, Merten; Krautscheid, Harald; Cichos, Jakub; Karbowiak, Miroslaw; Neves, Patrícia; Valente, Anabela A.; Gonçalves, Isabel S","Triazolyl, Imidazolyl, and Carboxylic Acid Moieties in the Design of Molybdenum Trioxide Hybrids: Photophysical and Catalytic Behavior.","Inorganic chemistry","2017","56","8","4380","4394","10.1021/acs.inorgchem.6b02986","","","0.71073","MoKα","","0.0556","0.0289","","","0.0569","0.0602","","","","","","0.809","","","","has coordinates","288505","2023-12-22","15:12:02",""
"4349379","14.376","0.0009","9.1515","0.0004","21.3642","0.0014","90","","103.188","0.007","90","","2736.6","0.3","213","2","213","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","bis-[3-(4-imidazolium)-2-(1,2,4-triazol-4-yl)-propionato-N,N,O,O]- bis-[3-(4-imidazolium)-2-(1,2,4-triazol-4-yl)-propionate-N,N]- pentacosaoxido-octamolybdenum(VI) Dihydrate","","- C32 H42 Mo8 N20 O35 -","- C32 H42 Mo8 N20 O35 -","- C64 H84 Mo16 N40 O70 -","2","0.5","","Lysenko, Andrey B.; Senchyk, Ganna A.; Domasevitch, Konstantin V.; Kobalz, Merten; Krautscheid, Harald; Cichos, Jakub; Karbowiak, Miroslaw; Neves, Patrícia; Valente, Anabela A.; Gonçalves, Isabel S","Triazolyl, Imidazolyl, and Carboxylic Acid Moieties in the Design of Molybdenum Trioxide Hybrids: Photophysical and Catalytic Behavior.","Inorganic chemistry","2017","56","8","4380","4394","10.1021/acs.inorgchem.6b02986","","","0.71073","MoKα","","0.0267","0.0199","","","0.0463","0.0473","","","","","","0.921","","","","has coordinates","288505","2023-12-22","15:12:02",""
"4349380","12.4018","0.0002","18.465","0.0003","14.0269","0.0002","90","","104.914","0.002","90","","3103.94","0.09","110","","110","","","","","","","","see text","6","P 1 21/n 1","-P 2yn","14","","","","- C22 H51 Al Co N2 Si4 -","- C22 H51 Al Co N2 Si4 -","- C88 H204 Al4 Co4 N8 Si16 -","4","1","","Weßing, Jana; Göbel, Christoph; Weber, Birgit; Gemel, Christian; Fischer, Roland A.","Diverse Reactivity of ECp* (E = Al, Ga) toward Low-Coordinate Transition Metal Amides [TM(N(SiMe<sub>3</sub>)<sub>2</sub>)<sub>2</sub>] (TM = Fe, Co, Zn): Insertion, Cp* Transfer, and Orthometalation.","Inorganic chemistry","2017","56","6","3517","3525","10.1021/acs.inorgchem.6b03127","","x-ray","1.54178","CuKα","","0.0433","0.035","","","0.0865","0.0902","","","","","","1.047","","","","has coordinates,has disorder","233911","2020-10-21","18:00:00",""
"4349381","16.8275","0.0002","21.4098","0.0002","18.8062","0.0002","90","","106.876","0.001","90","","6483.59","0.12","108","","108","","","","","","","","see text","6","P 1 21/c 1","-P 2ybc","14","","","","- C22 H51 Co Ga N2 Si4 -","- C22 H51 Co Ga N2 Si4 -","- C176 H408 Co8 Ga8 N16 Si32 -","8","2","","Weßing, Jana; Göbel, Christoph; Weber, Birgit; Gemel, Christian; Fischer, Roland A.","Diverse Reactivity of ECp* (E = Al, Ga) toward Low-Coordinate Transition Metal Amides [TM(N(SiMe<sub>3</sub>)<sub>2</sub>)<sub>2</sub>] (TM = Fe, Co, Zn): Insertion, Cp* Transfer, and Orthometalation.","Inorganic chemistry","2017","56","6","3517","3525","10.1021/acs.inorgchem.6b03127","","x-ray","1.54178","CuKα","","0.044","0.0338","","","0.0828","0.088","","","","","","1.023","","","","has coordinates","233911","2020-10-21","18:00:00",""
"4349382","16.3997","0.0003","15.1616","0.0002","16.9223","0.0003","90","","90","","90","","4207.66","0.12","112","","112","","","","","","","","see text","6","P b c n","-P 2n 2ab","60","","","","- C32 H66 Fe Ga2 N2 Si4 -","- C32 H66 Fe Ga2 N2 Si4 -","- C128 H264 Fe4 Ga8 N8 Si16 -","4","0.5","","Weßing, Jana; Göbel, Christoph; Weber, Birgit; Gemel, Christian; Fischer, Roland A.","Diverse Reactivity of ECp* (E = Al, Ga) toward Low-Coordinate Transition Metal Amides [TM(N(SiMe<sub>3</sub>)<sub>2</sub>)<sub>2</sub>] (TM = Fe, Co, Zn): Insertion, Cp* Transfer, and Orthometalation.","Inorganic chemistry","2017","56","6","3517","3525","10.1021/acs.inorgchem.6b03127","","x-ray","1.54184","CuKα","","0.0282","0.0252","","","0.0663","0.0683","","","","","","1.037","","","","has coordinates","233911","2020-10-21","18:00:00",""
"4349383","8.5944","0.0005","9.6962","0.0005","14.0679","0.0009","93.962","0.005","106.393","0.005","112.654","0.005","1016.75","0.12","113","","113","","","","","","","","see text","6","P -1","-P 1","2","","","","- C32 H66 Al2 N2 Si4 Zn -","- C32 H66 Al2 N2 Si4 Zn -","- C32 H66 Al2 N2 Si4 Zn -","1","0.5","","Weßing, Jana; Göbel, Christoph; Weber, Birgit; Gemel, Christian; Fischer, Roland A.","Diverse Reactivity of ECp* (E = Al, Ga) toward Low-Coordinate Transition Metal Amides [TM(N(SiMe<sub>3</sub>)<sub>2</sub>)<sub>2</sub>] (TM = Fe, Co, Zn): Insertion, Cp* Transfer, and Orthometalation.","Inorganic chemistry","2017","56","6","3517","3525","10.1021/acs.inorgchem.6b03127","","x-ray","1.54184","CuKα","","0.0457","0.0354","","","0.0898","0.097","","","","","","1.044","","","","has coordinates","233911","2020-10-21","18:00:00",""
"4349384","8.6323","0.0003","9.6301","0.0003","13.9237","0.0005","94.067","0.002","106.104","0.001","113.135","0.001","1001.2","0.06","100","","100","","","","","","","","see text","6","P -1","-P 1","2","","","","- C32 H70 Al2 Co N2 Si4 -","- C32 H70 Al2 Co N2 Si4 -","- C32 H70 Al2 Co N2 Si4 -","1","0.5","","Weßing, Jana; Göbel, Christoph; Weber, Birgit; Gemel, Christian; Fischer, Roland A.","Diverse Reactivity of ECp* (E = Al, Ga) toward Low-Coordinate Transition Metal Amides [TM(N(SiMe<sub>3</sub>)<sub>2</sub>)<sub>2</sub>] (TM = Fe, Co, Zn): Insertion, Cp* Transfer, and Orthometalation.","Inorganic chemistry","2017","56","6","3517","3525","10.1021/acs.inorgchem.6b03127","","x-ray","0.71073","MoKα","","0.0517","0.0344","","","0.0722","0.0776","","","","","","1.035","","","","has coordinates","233911","2020-10-21","18:00:00",""
"4349385","11.3362","0.0004","17.7054","0.0006","15.0548","0.0005","90","","110.619","0.002","90","","2828.12","0.17","100","2","100","2","","","","","","","","8","P 1 21/c 1","-P 2ybc","14","","N,N'-bis(2-pyridylmethyl)-trans-1,2-diaminocyclohexane-N,N'-diacetato- lanthanum(III) hexafluorophosphate hydrate","","- C44 H60 F12 La1.22 N8 Na2.34 O12 P2 -","- C44 H60 F12 La1.22 N8 Na2.3048 O12 P2 -","- C88 H120 F24 La2.44 N16 Na4.6096 O24 P4 -","2","0.5","","McLauchlan, Craig C.; Florián, Jan; Kissel, Daniel S.; Herlinger, Albert W.","Metal Ion Complexes of N,N'-Bis(2-Pyridylmethyl)-trans-1,2-Diaminocyclohexane-N,N'-Diacetic Acid, H<sub>2</sub>bpcd: Lanthanide(III)-bpcd<sup>2-</sup> Cationic Complexes.","Inorganic chemistry","2017","56","6","3556","3567","10.1021/acs.inorgchem.6b03137","","","0.71073","MoKα","","0.0777","0.0599","","","0.1574","0.1677","","","","","","1.224","","","","has coordinates,has disorder","233914","2020-10-21","18:00:00",""
"4349386","10.6477","0.0006","10.6477","0.0006","10.6477","0.0006","90","","90","","90","","1207.17","0.12","300","","300","","","","","","","","","4","F m -3","-F 2 2 3","202","","","?c1-NaK(B12H12)?","- B24 H24 K2 Na2 -","- B24 H24 K2 Na2 -","- B48 H48 K4 Na4 -","2","0.0208333","","Sadikin, Yolanda; Schouwink, Pascal; Brighi, Matteo; Łodziana, Zbigniew; Černý, Radovan","Modified Anion Packing of Na<sub>2</sub>B<sub>12</sub>H<sub>12</sub> in Close to Room Temperature Superionic Conductors.","Inorganic chemistry","2017","56","9","5006","5016","10.1021/acs.inorgchem.7b00013","powder diffraction","","0.81984","synchrotron","","","","","","","","","0.04","34","","","","","","","has coordinates","233916","2020-10-21","18:00:00",""
"4349387","7.6227","0.0007","12.1866","0.001","12.3024","0.0011","90","","92.353","0.006","90","","1141.87","0.17","433","","433","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","?m-NaCs(B12H12)?","- B12 Cs H12 Na -","- B12 Cs H12 Na -","- B48 Cs4 H48 Na4 -","4","1","","Sadikin, Yolanda; Schouwink, Pascal; Brighi, Matteo; Łodziana, Zbigniew; Černý, Radovan","Modified Anion Packing of Na<sub>2</sub>B<sub>12</sub>H<sub>12</sub> in Close to Room Temperature Superionic Conductors.","Inorganic chemistry","2017","56","9","5006","5016","10.1021/acs.inorgchem.7b00013","powder diffraction","","0.81984","synchrotron","","","","","","","","","0.08","93","","","","","","","has coordinates","233918","2020-10-21","18:00:00",""
"4349388","10.528747","","10.528747","","10.528747","","90","","90","","90","","1167.16","","790","","790","","","","","","","","","3","F m -3","-F 2 2 3","202","","","?c3-Na2B12H12?","- B24 H24 Na4 -","- B24 H24 Na4 -","- B48 H48 Na8 -","2","0.0208333","","Sadikin, Yolanda; Schouwink, Pascal; Brighi, Matteo; Łodziana, Zbigniew; Černý, Radovan","Modified Anion Packing of Na<sub>2</sub>B<sub>12</sub>H<sub>12</sub> in Close to Room Temperature Superionic Conductors.","Inorganic chemistry","2017","56","9","5006","5016","10.1021/acs.inorgchem.7b00013","powder diffraction","","0.69852","synchrotron","","","","","","","","","0.04","10","","","","","","","has coordinates","233920","2020-10-21","18:00:00",""
"4349389","12.4432","0.0004","7.6628","0.0003","12.5705","0.0004","90","","90","","90","","1198.59","0.07","690","","690","","","","","","","","","4","P n 21 a","P -2ac -2n","33","","","?NaCs(B12H12)?","- B12 Cs H12 Na -","- B12 Cs H12 Na -","- B48 Cs4 H48 Na4 -","4","1","","Sadikin, Yolanda; Schouwink, Pascal; Brighi, Matteo; Łodziana, Zbigniew; Černý, Radovan","Modified Anion Packing of Na<sub>2</sub>B<sub>12</sub>H<sub>12</sub> in Close to Room Temperature Superionic Conductors.","Inorganic chemistry","2017","56","9","5006","5016","10.1021/acs.inorgchem.7b00013","powder diffraction","","0.69852","synchrotron","","","","","","","","","0.02","19","","","","","","","has coordinates","233923","2020-10-21","18:00:00",""
"4349390","7.6227","0.0005","7.6227","0.0005","12.280488","","90","","90","","120","","617.97","0.06","805","","805","","","","","","","","","4","P 63 m c","P 6c -2c","186","","","?h-NaCs(B12H12)?","- B12 Cs H12 Na -","- B12 Cs H12 Na -","- B24 Cs2 H24 Na2 -","2","0.166667","","Sadikin, Yolanda; Schouwink, Pascal; Brighi, Matteo; Łodziana, Zbigniew; Černý, Radovan","Modified Anion Packing of Na<sub>2</sub>B<sub>12</sub>H<sub>12</sub> in Close to Room Temperature Superionic Conductors.","Inorganic chemistry","2017","56","9","5006","5016","10.1021/acs.inorgchem.7b00013","powder diffraction","","0.69852","synchrotron","","","","","","","","","0.05","17","","","","","","","has coordinates","233925","2020-10-21","18:00:00",""
"4349391","7.0722","0.0003","7.0722","0.0003","11.9592","0.0006","90","","90","","120","","518.01","0.04","570","","570","","","","","","","","","4","P 63 m c","P 6c -2c","186","","","?h-LiK(B12H12)?","- B12 H12 K0.41 Li1.59 -","- B12 H12 K0.409 Li1.591 -","- B24 H24 K0.818 Li3.182 -","2","0.166667","","Sadikin, Yolanda; Schouwink, Pascal; Brighi, Matteo; Łodziana, Zbigniew; Černý, Radovan","Modified Anion Packing of Na<sub>2</sub>B<sub>12</sub>H<sub>12</sub> in Close to Room Temperature Superionic Conductors.","Inorganic chemistry","2017","56","9","5006","5016","10.1021/acs.inorgchem.7b00013","powder diffraction","","0.81984","synchrotron","","","","","","","","","0.07","16","","","","","","","has coordinates","233926","2020-10-21","18:00:00",""
"4349392","12.405","0.01","7.237","0.006","12.101","0.008","90","","90","","90","","1086.4","1.4","300","","300","","","","","","","","","4","P n 21 a","P -2ac -2n","33","","","?o-LiCs(B12H12)?","- B12 Cs H12 Li -","- B12 Cs H12 Li -","- B48 Cs4 H48 Li4 -","4","1","","Sadikin, Yolanda; Schouwink, Pascal; Brighi, Matteo; Łodziana, Zbigniew; Černý, Radovan","Modified Anion Packing of Na<sub>2</sub>B<sub>12</sub>H<sub>12</sub> in Close to Room Temperature Superionic Conductors.","Inorganic chemistry","2017","56","9","5006","5016","10.1021/acs.inorgchem.7b00013","powder diffraction","","0.82103","synchrotron","","","","","","","","","0.04","41","","","","","","","has coordinates","233929","2020-10-21","18:00:00",""
"4349393","8.5421","0.0006","10.4051","0.0008","12.8795","0.001","66.309","0.002","74.672","0.002","81.563","0.003","1009.92","0.13","150","2","150","2","","","","","","","","6","P -1","-P 1","2","","","","- C32 H28 Cl2 Dy2 N8 O20 -","- C32 H28 Cl2 Dy2 N8 O20 -","- C32 H28 Cl2 Dy2 N8 O20 -","1","0.5","","Mazarakioti, Eleni C.; Regier, Jeffery; Cunha-Silva, Luís; Wernsdorfer, Wolfgang; Pilkington, Melanie; Tang, Jinkui; Stamatatos, Theocharis C.","Large Energy Barrier and Magnetization Hysteresis at 5 K for a Symmetric {Dy<sub>2</sub>} Complex with Spherical Tricapped Trigonal Prismatic Dy<sup>III</sup> Ions.","Inorganic chemistry","2017","56","6","3568","3578","10.1021/acs.inorgchem.7b00026","","","0.71073","MoKα","","0.036","0.0308","","","0.0613","0.0635","","","","","","1.065","","","","has coordinates","233932","2020-10-21","18:00:00",""
"4349394","14.584","0.0012","18.3023","0.0015","26.224","0.002","90","","93.929","0.002","90","","6983.3","1","296","2","296.15","","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C138 H144 Dy8 N8 O48 -","- C138 H136 Dy8 N8 O48 -","- C276 H272 Dy16 N16 O96 -","2","0.5","","Wu, Jianfeng; Li, Xiao-Lei; Zhao, Lang; Guo, Mei; Tang, Jinkui","Enhancement of Magnetocaloric Effect through Fixation of Carbon Dioxide: Molecular Assembly from Ln<sub>4</sub> to Ln<sub>4</sub> Cluster Pairs.","Inorganic chemistry","2017","56","7","4104","4111","10.1021/acs.inorgchem.7b00094","","","0.71073","MoKα","","0.1226","0.0667","","","0.149","0.1824","","","","","","1.011","","","","has coordinates","233936","2020-10-21","18:00:00",""
"4349395","14.6207","0.0011","17.9294","0.0014","19.3581","0.0016","66.04","0.001","74.928","0.001","66.244","0.001","4216","0.6","273","2","273.15","","","","","","","","","5","P -1","-P 1","2","","","","- C134 H128 Gd8 N8 O44 -","- C134 H114 Gd8 N8 O44 -","- C134 H114 Gd8 N8 O44 -","1","0.5","","Wu, Jianfeng; Li, Xiao-Lei; Zhao, Lang; Guo, Mei; Tang, Jinkui","Enhancement of Magnetocaloric Effect through Fixation of Carbon Dioxide: Molecular Assembly from Ln<sub>4</sub> to Ln<sub>4</sub> Cluster Pairs.","Inorganic chemistry","2017","56","7","4104","4111","10.1021/acs.inorgchem.7b00094","","","0.71073","MoKα","","0.1059","0.0684","","","0.1779","0.217","","","","","","1.007","","","","has coordinates","233936","2020-10-21","18:00:00",""
"4349396","14.504","0.0011","32.684","0.002","18.1251","0.001","90","","114.844","0.004","90","","7797","0.9","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C138 H130 N10 O42 Tb8 -","- C138 H126 N10 O42 Tb8 -","- C276 H252 N20 O84 Tb16 -","2","0.5","","Wu, Jianfeng; Li, Xiao-Lei; Zhao, Lang; Guo, Mei; Tang, Jinkui","Enhancement of Magnetocaloric Effect through Fixation of Carbon Dioxide: Molecular Assembly from Ln<sub>4</sub> to Ln<sub>4</sub> Cluster Pairs.","Inorganic chemistry","2017","56","7","4104","4111","10.1021/acs.inorgchem.7b00094","","","0.71073","MoKα","","0.1178","0.07","","","0.1562","0.1768","","","","","","1.019","","","","has coordinates","233936","2020-10-21","18:00:00",""
"4349397","14.8351","0.0007","15.082","0.0007","20.5183","0.001","101.98","0.001","106.279","0.001","90.914","0.001","4297.3","0.4","273","2","273.15","","","","","","","","","5","P -1","-P 1","2","","","","- C82 H80 Dy4 N4 O24 -","- C82 H80 Dy4 N4 O24 -","- C164 H160 Dy8 N8 O48 -","2","1","","Wu, Jianfeng; Li, Xiao-Lei; Zhao, Lang; Guo, Mei; Tang, Jinkui","Enhancement of Magnetocaloric Effect through Fixation of Carbon Dioxide: Molecular Assembly from Ln<sub>4</sub> to Ln<sub>4</sub> Cluster Pairs.","Inorganic chemistry","2017","56","7","4104","4111","10.1021/acs.inorgchem.7b00094","","","0.71073","MoKα","","0.0716","0.0472","","","0.117","0.1309","","","","","","1","","","","has coordinates","233936","2020-10-21","18:00:00",""
"4349398","15.085","0.016","15.274","0.017","20.8","0.02","102.53","0.02","106.542","0.018","90.27","0.02","4473","8","296","2","296.15","","","","","","","","","5","P -1","-P 1","2","","","","- C80 H72 Gd4 N4 O22 -","- C80 H69 Gd4 N4 O22 -","- C160 H138 Gd8 N8 O44 -","2","1","","Wu, Jianfeng; Li, Xiao-Lei; Zhao, Lang; Guo, Mei; Tang, Jinkui","Enhancement of Magnetocaloric Effect through Fixation of Carbon Dioxide: Molecular Assembly from Ln<sub>4</sub> to Ln<sub>4</sub> Cluster Pairs.","Inorganic chemistry","2017","56","7","4104","4111","10.1021/acs.inorgchem.7b00094","","","0.71073","MoKα","","0.1653","0.0784","","","0.1965","0.2504","","","","","","0.956","","","","has coordinates","233936","2020-10-21","18:00:00",""
"4349399","14.909","0.002","15.2038","0.0019","20.541","0.003","102.22","0.002","106.205","0.002","90.864","0.002","4356.1","1","296","2","296.15","","","","","","","","","5","P -1","-P 1","2","","","","- C80 H70 Ho4 N4 O21 -","- C80 H70 Ho4 N4 O21 -","- C160 H140 Ho8 N8 O42 -","2","1","","Wu, Jianfeng; Li, Xiao-Lei; Zhao, Lang; Guo, Mei; Tang, Jinkui","Enhancement of Magnetocaloric Effect through Fixation of Carbon Dioxide: Molecular Assembly from Ln<sub>4</sub> to Ln<sub>4</sub> Cluster Pairs.","Inorganic chemistry","2017","56","7","4104","4111","10.1021/acs.inorgchem.7b00094","","","0.71073","MoKα","","0.0635","0.0387","","","0.0782","0.088","","","","","","0.939","","","","has coordinates","233936","2020-10-21","18:00:00",""
"4349400","7.10824","0.00007","13.14264","0.00013","15.5152","0.00017","90","","90","","90","","1449.45","0.03","100.01","0.1","100.01","0.1","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","1-chloro-N-(chloro(phenyl)phosphanyl)-N-methyl-1-phenylphosphanamine","","- C13 H13 Cl2 N P2 -","- C13 H13 Cl2 N P2 -","- C52 H52 Cl8 N4 P8 -","4","1","","Yogendra, Sivathmeehan; Hennersdorf, Felix; Weigand, Jan J.","Nitrogen-Phosphorus(III)-Chalcogen Macrocycles for the Synthesis of Polynuclear Silver(I) Sandwich Complexes.","Inorganic chemistry","2017","56","15","8698","8704","10.1021/acs.inorgchem.7b00141","","x-ray","1.54184","CuKα","","0.0252","0.0246","","","0.0656","0.0661","","","","","","1.072","","","","has coordinates","233939","2020-10-21","18:00:00",""
"4349401","20.5846","0.0003","14.59839","0.00018","24.2899","0.0003","90","","90","","90","","7299.16","0.17","193.15","","193.15","","","","","","","","","9","P b c a","-P 2ac 2ab","61","","","","- C60 H62 Ag2 F6 N6 O6 P8 S2 Se4 -","- C60 H62 Ag2 F6 N6 O6 P8 S2 Se4 -","- C240 H248 Ag8 F24 N24 O24 P32 S8 Se16 -","4","0.5","","Yogendra, Sivathmeehan; Hennersdorf, Felix; Weigand, Jan J.","Nitrogen-Phosphorus(III)-Chalcogen Macrocycles for the Synthesis of Polynuclear Silver(I) Sandwich Complexes.","Inorganic chemistry","2017","56","15","8698","8704","10.1021/acs.inorgchem.7b00141","","x-ray","0.71073","MoKα","","0.0376","0.0288","","","0.0698","0.0747","","","","","","1.069","","","","has coordinates,has disorder","233941","2020-10-21","18:00:00",""
"4349402","9.046","0.0002","9.9214","0.0002","17.2512","0.0004","90","","90","","90","","1548.28","0.06","173","2","173.15","","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C13 H13 N P2 S3 -","- C13 H13 N P2 S3 -","- C52 H52 N4 P8 S12 -","4","1","","Yogendra, Sivathmeehan; Hennersdorf, Felix; Weigand, Jan J.","Nitrogen-Phosphorus(III)-Chalcogen Macrocycles for the Synthesis of Polynuclear Silver(I) Sandwich Complexes.","Inorganic chemistry","2017","56","15","8698","8704","10.1021/acs.inorgchem.7b00141","","","0.71073","MoKα","","0.0402","0.0352","","","0.0868","0.0889","","","","","","1.114","","","","has coordinates,has disorder","233943","2020-10-21","18:00:00",""
"4349403","34.422","0.0005","34.422","0.0005","15.4107","0.0005","90","","90","","90","","18259.7","0.7","173","2","173","1","","","","","","","","9","I 4","I 4","79","","","","- C63 H64 Ag3 F9 N8 O9 P8 S3 Se4 -","- C60 H64 Ag3 N8 P8 Se4 -","- C480 H512 Ag24 N64 P64 Se32 -","8","1","","Yogendra, Sivathmeehan; Hennersdorf, Felix; Weigand, Jan J.","Nitrogen-Phosphorus(III)-Chalcogen Macrocycles for the Synthesis of Polynuclear Silver(I) Sandwich Complexes.","Inorganic chemistry","2017","56","15","8698","8704","10.1021/acs.inorgchem.7b00141","","x-ray","0.71073","MoKα","","0.1072","0.0753","","","0.2193","0.2397","","","","","","1.029","","","","has coordinates,has disorder","233945","2020-10-21","18:00:00",""
"4349404","23.1914","0.0007","15.533","0.0005","49.506","0.0016","90","","90","","90","","17833.6","1","293.03","0.1","293.03","0.1","","","","","","","","7","P n m a","-P 2ac 2n","62","","","","- C61 H63 Ag3 F N7.5 P8 Se4 -","- C61 H63 Ag3 F N7.5 P8 Se4 -","- C488 H504 Ag24 F8 N60 P64 Se32 -","8","1","","Yogendra, Sivathmeehan; Hennersdorf, Felix; Weigand, Jan J.","Nitrogen-Phosphorus(III)-Chalcogen Macrocycles for the Synthesis of Polynuclear Silver(I) Sandwich Complexes.","Inorganic chemistry","2017","56","15","8698","8704","10.1021/acs.inorgchem.7b00141","","x-ray","1.54184","CuKα","","0.1496","0.1002","","","0.2715","0.3052","","","","","","1.076","","","","has coordinates,has disorder","233947","2020-10-21","18:00:00",""
"4349405","7.1813","0.0008","15.3593","0.0018","7.3193","0.0009","90","","91.019","0.006","90","","807.19","0.16","123.15","","123.15","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C13 H13 N P2 Se3 -","- C13 H13 N P2 Se3 -","- C26 H26 N2 P4 Se6 -","2","0.5","","Yogendra, Sivathmeehan; Hennersdorf, Felix; Weigand, Jan J.","Nitrogen-Phosphorus(III)-Chalcogen Macrocycles for the Synthesis of Polynuclear Silver(I) Sandwich Complexes.","Inorganic chemistry","2017","56","15","8698","8704","10.1021/acs.inorgchem.7b00141","","","0.71073","MoKα","","0.0335","0.0299","","","0.0658","0.0667","","","","","","1.292","","","","has coordinates,has disorder","233949","2020-10-21","18:00:00",""
"4349406","26.0999","0.0003","25.8868","0.0003","10.92456","0.00009","90","","90","","90","","7381.1","0.13","99.98","0.13","99.98","0.13","","","","","","","","8","P 21 21 2","P 2 2ab","18","","","","- C66 H77.5 Ag F3 N4.5 O6 P8 S5 -","- C66 H77.5 Ag F3 N4.5 O6 P8 S5 -","- C264 H310 Ag4 F12 N18 O24 P32 S20 -","4","1","","Yogendra, Sivathmeehan; Hennersdorf, Felix; Weigand, Jan J.","Nitrogen-Phosphorus(III)-Chalcogen Macrocycles for the Synthesis of Polynuclear Silver(I) Sandwich Complexes.","Inorganic chemistry","2017","56","15","8698","8704","10.1021/acs.inorgchem.7b00141","","x-ray","1.54184","CuKα","","0.0607","0.0568","","","0.1497","0.1554","","","","","","1.027","","","","has coordinates,has disorder","233951","2020-10-21","18:00:00",""
"4349407","18.9653","0.0004","28.0732","0.0004","17.7396","0.0003","90","","91.735","0.002","90","","9440.5","0.3","100","0.2","100","0.2","","","","","","","","9","C 1 2/c 1","-C 2yc","15","","","","- C66 H72 Ag4 Cl10 F12 N4 O12 P8 S8 -","- C66 H72 Ag4 Cl10 F12 N4 O12 P8 S8 -","- C264 H288 Ag16 Cl40 F48 N16 O48 P32 S32 -","4","0.5","","Yogendra, Sivathmeehan; Hennersdorf, Felix; Weigand, Jan J.","Nitrogen-Phosphorus(III)-Chalcogen Macrocycles for the Synthesis of Polynuclear Silver(I) Sandwich Complexes.","Inorganic chemistry","2017","56","15","8698","8704","10.1021/acs.inorgchem.7b00141","","x-ray","1.54184","CuKα","","0.0598","0.0495","","","0.1407","0.1488","","","","","","1.05","","","","has coordinates","233953","2020-10-21","18:00:00",""
"4349408","16.99198","0.00014","15.06651","0.00012","24.3428","0.0002","90","","106.367","0.0009","90","","5979.44","0.09","99.98","0.13","99.98","0.13","","","","","","","","9","C 1 2/c 1","-C 2yc","15","","","","- C53 H52 Ag F3 N4 O3 P8 S Se4 -","- C53 H52 Ag F3 N4 O3 P8 S Se4 -","- C212 H208 Ag4 F12 N16 O12 P32 S4 Se16 -","4","0.5","","Yogendra, Sivathmeehan; Hennersdorf, Felix; Weigand, Jan J.","Nitrogen-Phosphorus(III)-Chalcogen Macrocycles for the Synthesis of Polynuclear Silver(I) Sandwich Complexes.","Inorganic chemistry","2017","56","15","8698","8704","10.1021/acs.inorgchem.7b00141","","x-ray","1.54184","CuKα","","0.0593","0.0592","","","0.1267","0.1267","","","","","","1.22","","","","has coordinates,has disorder","233955","2020-10-21","18:00:00",""
"4349409","11.15421","0.00009","10.99823","0.00007","11.85068","0.00011","90","","112.181","0.0011","90","","1346.21","0.02","99.99","0.14","99.99","0.14","","","","","","","","5","P 1 n 1","P -2yac","7","","3,7-dimethyl-2,4,6,8-tetraphenyl-1,5,3,7,2,4,6,8-diselenadiazatetraphosphocane","","- C26 H26 N2 P4 Se2 -","- C26 H26 N2 P4 Se2 -","- C52 H52 N4 P8 Se4 -","2","1","","Yogendra, Sivathmeehan; Hennersdorf, Felix; Weigand, Jan J.","Nitrogen-Phosphorus(III)-Chalcogen Macrocycles for the Synthesis of Polynuclear Silver(I) Sandwich Complexes.","Inorganic chemistry","2017","56","15","8698","8704","10.1021/acs.inorgchem.7b00141","","x-ray","1.54184","CuKα","","0.0274","0.0274","","","0.0716","0.0716","","","","","","1.122","","","","has coordinates,has disorder","233957","2020-10-21","18:00:00",""
"4349410","10.89505","0.00008","16.55095","0.00012","18.80048","0.00013","90","","94.1997","0.0006","90","","3381.06","0.04","100","0.1","100","0.1","","","","","","","","9","P 1 21/n 1","-P 2yn","14","","","","- C55 H54 Ag2 Cl2 F6 N4 O6 P8 S6 -","- C55 H54 Ag2 Cl2 F6 N4 O6 P8 S6 -","- C110 H108 Ag4 Cl4 F12 N8 O12 P16 S12 -","2","0.5","","Yogendra, Sivathmeehan; Hennersdorf, Felix; Weigand, Jan J.","Nitrogen-Phosphorus(III)-Chalcogen Macrocycles for the Synthesis of Polynuclear Silver(I) Sandwich Complexes.","Inorganic chemistry","2017","56","15","8698","8704","10.1021/acs.inorgchem.7b00141","","x-ray","1.54184","CuKα","","0.025","0.0245","","","0.0625","0.0629","","","","","","1.051","","","","has coordinates,has disorder","233958","2020-10-21","18:00:00",""
"4349411","11.08745","0.00009","11.01972","0.00007","11.82438","0.0001","90","","113.092","0.001","90","","1328.95","0.02","99.98","0.13","99.98","0.13","","","","","","","","5","P 1 n 1","P -2yac","7","","3,7-dimethyl-2,4,6,8-tetraphenyl-1,5,3,7,2,4,6,8-dithiadiazatetraphosphocane","","- C26 H26 N2 P4 S2 -","- C26 H26 N2 P4 S2 -","- C52 H52 N4 P8 S4 -","2","1","","Yogendra, Sivathmeehan; Hennersdorf, Felix; Weigand, Jan J.","Nitrogen-Phosphorus(III)-Chalcogen Macrocycles for the Synthesis of Polynuclear Silver(I) Sandwich Complexes.","Inorganic chemistry","2017","56","15","8698","8704","10.1021/acs.inorgchem.7b00141","","x-ray","1.54184","CuKα","","0.0275","0.0274","","","0.0778","0.0779","","","","","","1.045","","","","has coordinates,has disorder","233960","2020-10-21","18:00:00",""
"4349412","26.0999","0.0003","25.8868","0.0003","10.92456","0.00009","90","","90","","90","","7381.1","0.13","99.98","0.13","99.98","0.13","","","","","","","","8","P 21 21 2","P 2 2ab","18","","","","- C53 H52 Ag F3 N4 O3 P8 S5 -","- C53 H52 Ag F3 N4 O3 P8 S5 -","- C212 H208 Ag4 F12 N16 O12 P32 S20 -","4","1","","Yogendra, Sivathmeehan; Hennersdorf, Felix; Weigand, Jan J.","Nitrogen-Phosphorus(III)-Chalcogen Macrocycles for the Synthesis of Polynuclear Silver(I) Sandwich Complexes.","Inorganic chemistry","2017","56","15","8698","8704","10.1021/acs.inorgchem.7b00141","","x-ray","1.54184","CuKα","","0.0522","0.0487","","","0.1276","0.1322","","","","","","1.025","","","","has coordinates","233961","2020-10-21","18:00:00",""
"4349413","13.26","0.002","13.26","0.002","22.193","0.003","90","","90","","120","","3379.4","0.9","100","2","100.01","","","","","","","","","6","R 3 m :H","R 3 -2""","160","","tris[bis(tert-butylimido)manganese(IV)bis(tert-butylimido)manganese(V) hexafluorophosphate","","- C32 H72 F6 Mn4 N8 P -","- C32.0008 H72.0018 F6 Mn4 N8 P -","- C96.0024 H216.005 F18 Mn12 N24 P3 -","3","0.166667","","Vaddypally, Shivaiah; Jovinelli, Daniel J.; McKendry, Ian G.; Zdilla, Michael J.","Covalent Metal-Metal-Bonded Mn<sub>4</sub> Tetrahedron Inscribed within a Four-Coordinate Manganese Cubane Cluster, As Evidenced by Unexpected Temperature-Independent Diamagnetism.","Inorganic chemistry","2017","56","7","3733","3737","10.1021/acs.inorgchem.7b00152","","","0.71073","MoKα","","0.0678","0.0633","","","0.1743","0.1784","","","","","","1.082","","","","has coordinates,has disorder","233963","2020-10-21","18:00:00",""
"4349414","12.3344","0.0005","12.9838","0.0006","13.302","0.0007","90","","90","","90","","2130.28","0.17","173","2","173","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C8 H20 B I6 N Si -","- C8 H20 B I6 N Si -","- C32 H80 B4 I24 N4 Si4 -","4","1","","Teichmann, Julian; Bursch, Markus; Köstler, Benedikt; Bolte, Michael; Lerner, Hans-Wolfram; Grimme, Stefan; Wagner, Matthias","Trapping Experiments on a Trichlorosilanide Anion: a Key Intermediate of Halogenosilane Chemistry.","Inorganic chemistry","2017","56","15","8683","8688","10.1021/acs.inorgchem.7b00216","","","0.71073","MoKα","","0.0231","0.0209","","","0.0427","0.0432","","","","","","1.093","","","","has coordinates","233964","2020-10-21","18:00:00",""
"4349415","27.571","0.006","31.893","0.006","34.388","0.007","110.88","0.03","113.19","0.03","91.32","0.03","25495","13","100","2","100","2","","","","","","","","10","P -1","-P 1","2","","","","- C174.85 H155.19 B3 Cl1.69 F24 N12 O18.25 P6 Pd3 S6 -","- C174.846 H154.691 B3 Cl1.6914 F24 N12 O18.25 P6 Pd3 S6 -","- C699.383 H618.766 B12 Cl6.7656 F96 N48 O73 P24 Pd12 S24 -","4","2","","Gupta, Gajendra; Das, Abhishek; Park, Kyoung Chul; Tron, Artur; Kim, Hyunuk; Mun, Junyoung; Mandal, Nripendranath; Chi, Ki-Whan; Lee, Chang Yeon","Self-Assembled Novel BODIPY-Based Palladium Supramolecules and Their Cellular Localization.","Inorganic chemistry","2017","56","8","4616","4622","10.1021/acs.inorgchem.7b00260","","","0.7","synchrotron","","0.1476","0.1333","","","0.3925","0.4139","","","","","","1.809","","","","has coordinates,has disorder","233966","2020-10-21","18:00:00",""
"4349416","10.87","0.003","20.191","0.005","16.929","0.004","90","","104.297","0.003","90","","3600.4","1.6","130","2","130","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C31 H47 B Cd N6 S4 -","- C31 H47 B Cd N6 S4 -","- C124 H188 B4 Cd4 N24 S16 -","4","1","","Kreider-Mueller, Ava; Quinlivan, Patrick J.; Owen, Jonathan S.; Parkin, Gerard","Tris(2-mercaptoimidazolyl)hydroborato Cadmium Thiolate Complexes, [Tm<sup>Bu<sup>t</sup></sup>]CdSAr: Thiolate Exchange at Cadmium in a Sulfur-Rich Coordination Environment.","Inorganic chemistry","2017","56","8","4644","4654","10.1021/acs.inorgchem.7b00296","","","0.71073","MoKα","","0.0504","0.0335","","","0.0724","0.0792","","","","","","1.017","","","","has coordinates","233968","2020-10-21","18:00:00",""
"4349417","10.6074","0.0017","31.416","0.005","11.3984","0.0019","90","","95.011","0.002","90","","3783.9","1.1","130","2","130","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C34 H47 B Cd N6 O S4 -","- C34 H47 B Cd N6 O S4 -","- C136 H188 B4 Cd4 N24 O4 S16 -","4","1","","Kreider-Mueller, Ava; Quinlivan, Patrick J.; Owen, Jonathan S.; Parkin, Gerard","Tris(2-mercaptoimidazolyl)hydroborato Cadmium Thiolate Complexes, [Tm<sup>Bu<sup>t</sup></sup>]CdSAr: Thiolate Exchange at Cadmium in a Sulfur-Rich Coordination Environment.","Inorganic chemistry","2017","56","8","4644","4654","10.1021/acs.inorgchem.7b00296","","","0.71073","MoKα","","0.0305","0.0295","","","0.0691","0.0696","","","","","","1.249","","","","has coordinates","233970","2020-10-21","18:00:00",""
"4349418","10.643","0.004","11.195","0.004","15.768","0.005","94.945","0.004","91.717","0.005","94.344","0.004","1865.1","1.1","130","2","130","2","","","","","","","","7","P -1","-P 1","2","","","","- C34 H47 B Cd N6 O S4 -","- C34 H47 B Cd N6 O S4 -","- C68 H94 B2 Cd2 N12 O2 S8 -","2","1","","Kreider-Mueller, Ava; Quinlivan, Patrick J.; Owen, Jonathan S.; Parkin, Gerard","Tris(2-mercaptoimidazolyl)hydroborato Cadmium Thiolate Complexes, [Tm<sup>Bu<sup>t</sup></sup>]CdSAr: Thiolate Exchange at Cadmium in a Sulfur-Rich Coordination Environment.","Inorganic chemistry","2017","56","8","4644","4654","10.1021/acs.inorgchem.7b00296","","","0.71073","MoKα","","0.0274","0.0242","","","0.0635","0.0652","","","","","","1.035","","","","has coordinates","233972","2020-10-21","18:00:00",""
"4349419","10.27","0.002","32.396","0.007","10.672","0.002","90","","114.875","0.003","90","","3221.2","1.1","130","2","130","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C26 H38 B Cd N7 S3 Se -","- C26 H38 B Cd N7 S3 Se -","- C104 H152 B4 Cd4 N28 S12 Se4 -","4","1","","Kreider-Mueller, Ava; Quinlivan, Patrick J.; Owen, Jonathan S.; Parkin, Gerard","Tris(2-mercaptoimidazolyl)hydroborato Cadmium Thiolate Complexes, [Tm<sup>Bu<sup>t</sup></sup>]CdSAr: Thiolate Exchange at Cadmium in a Sulfur-Rich Coordination Environment.","Inorganic chemistry","2017","56","8","4644","4654","10.1021/acs.inorgchem.7b00296","","","0.71073","MoKα","","0.0445","0.0304","","","0.0668","0.0713","","","","","","1.027","","","","has coordinates","233973","2020-10-21","18:00:00",""
"4349420","10.2278","0.0011","33.45","0.004","10.4301","0.0012","90","","114.637","0.002","90","","3243.5","0.6","150","2","150","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C27 H38 B Cd F N6 S4 -","- C27 H38 B Cd F N6 S4 -","- C108 H152 B4 Cd4 F4 N24 S16 -","4","1","","Kreider-Mueller, Ava; Quinlivan, Patrick J.; Owen, Jonathan S.; Parkin, Gerard","Tris(2-mercaptoimidazolyl)hydroborato Cadmium Thiolate Complexes, [Tm<sup>Bu<sup>t</sup></sup>]CdSAr: Thiolate Exchange at Cadmium in a Sulfur-Rich Coordination Environment.","Inorganic chemistry","2017","56","8","4644","4654","10.1021/acs.inorgchem.7b00296","","","0.71073","MoKα","","0.075","0.0431","","","0.0815","0.0929","","","","","","1.02","","","","has coordinates","233975","2020-10-21","18:00:00",""
"4349421","10.0057","0.0009","32.6","0.003","10.5571","0.001","90","","113.109","0.0013","90","","3167.3","0.5","130","2","130","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C26 H38 B Cd N7 S4 -","- C26 H38 B Cd N7 S4 -","- C104 H152 B4 Cd4 N28 S16 -","4","1","","Kreider-Mueller, Ava; Quinlivan, Patrick J.; Owen, Jonathan S.; Parkin, Gerard","Tris(2-mercaptoimidazolyl)hydroborato Cadmium Thiolate Complexes, [Tm<sup>Bu<sup>t</sup></sup>]CdSAr: Thiolate Exchange at Cadmium in a Sulfur-Rich Coordination Environment.","Inorganic chemistry","2017","56","8","4644","4654","10.1021/acs.inorgchem.7b00296","","","0.71073","MoKα","","0.0785","0.0421","","","0.076","0.0872","","","","","","1.013","","","","has coordinates","233976","2020-10-21","18:00:00",""
"4349422","9.9067","0.0007","11.0138","0.0007","14.2504","0.0009","76.888","0.001","85.383","0.001","65.518","0.001","1378.02","0.16","130","2","130","2","","","","","","","","7","P -1","-P 1","2","","{hydrotris(3,5-dimethylpyrazol-1-yl)borato}bis(phenolato)sulfidotungsten(V)","","- C27 H32 B N6 O2 S W -","- C27 H32 B N6 O2 S W -","- C54 H64 B2 N12 O4 S2 W2 -","2","1","","Sproules, Stephen; Eagle, Aston A.; George, Graham N.; White, Jonathan M.; Young, Charles G.","Mononuclear Sulfido-Tungsten(V) Complexes: Completing the Tp*MEXY (M = Mo, W; E = O, S) Series.","Inorganic chemistry","2017","56","9","5189","5202","10.1021/acs.inorgchem.7b00331","","","0.71073","MoKα","","0.0289","0.0261","","","0.0609","0.0621","","","","","","1.03","","","","has coordinates","233978","2020-10-21","18:00:00",""
"4349423","15.0462","0.0014","26.833","0.003","14.4646","0.0014","90","","90","","90","","5839.9","1","130","2","130","2","","","","","","","","7","P b c a","-P 2ac 2ab","61","","{hydrotris(3,5-dimethylpyrazol-1-yl)borato}bis(selenophenolato)sulfidotungsten(V)","","- C27 H32 B N6 S Se2 W -","- C27 H32 B N6 S Se2 W -","- C216 H256 B8 N48 S8 Se16 W8 -","8","1","","Sproules, Stephen; Eagle, Aston A.; George, Graham N.; White, Jonathan M.; Young, Charles G.","Mononuclear Sulfido-Tungsten(V) Complexes: Completing the Tp*MEXY (M = Mo, W; E = O, S) Series.","Inorganic chemistry","2017","56","9","5189","5202","10.1021/acs.inorgchem.7b00331","","","0.71073","MoKα","","0.1185","0.0643","","","0.111","0.1271","","","","","","1.027","","","","has coordinates","233978","2020-10-21","18:00:00",""
"4349424","13.771","0.004","10.38","0.003","21.227","0.006","90","","103.156","0.006","90","","2954.6","1.5","130","2","130","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","{hydrotris(3,5-dimethylpyrazol-1-yl)borato}sulfido(toluene-3,4-dithiolato)tungsten(V)","","- C26 H36 B N6 O S3 W -","- C26 H36 B N6 O S3 W -","- C104 H144 B4 N24 O4 S12 W4 -","4","1","","Sproules, Stephen; Eagle, Aston A.; George, Graham N.; White, Jonathan M.; Young, Charles G.","Mononuclear Sulfido-Tungsten(V) Complexes: Completing the Tp*MEXY (M = Mo, W; E = O, S) Series.","Inorganic chemistry","2017","56","9","5189","5202","10.1021/acs.inorgchem.7b00331","","","0.71073","MoKα","","0.095","0.0463","","","0.0771","0.0863","","","","","","0.791","","","","has coordinates","233978","2020-10-21","18:00:00",""
"4349425","18.616","0.005","18.616","0.005","37.566","0.005","90","0.005","90","0.005","120","0.005","11275","5","100","2","100","2","","","","","","","","5","R 3 :H","R 3","146","","","","- C21 H16 Cu2 N2 O10 -","- C21 H16 Cu2 N2 O10 -","- C189 H144 Cu18 N18 O90 -","9","1","","Gupta, Anoop K.; De, Dinesh; Katoch, Rajesh; Garg, Ashish; Bharadwaj, Parimal K.","Synthesis of a NbO Type Homochiral Cu(II) Metal-Organic Framework: Ferroelectric Behavior and Heterogeneous Catalysis of Three-Component Coupling and Pechmann Reactions.","Inorganic chemistry","2017","56","8","4698","4706","10.1021/acs.inorgchem.7b00342","","","0.71069","MoKα","","0.0916","0.0674","","","0.1691","0.1944","","","","","","1.021","","","","has coordinates","233980","2020-10-21","18:00:00",""
"4349426","12.1216","0.0005","22.037","0.0009","10.7799","0.0005","90","","100.249","0.002","90","","2833.6","0.2","100","2","100","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C37 H23 N5 Ru -","- C37 H23 N5 Ru -","- C148 H92 N20 Ru4 -","4","1","","Alemayehu, Abraham B.; Vazquez-Lima, Hugo; Gagnon, Kevin J.; Ghosh, Abhik","Stepwise Deoxygenation of Nitrite as a Route to Two Families of Ruthenium Corroles: Group 8 Periodic Trends and Relativistic Effects.","Inorganic chemistry","2017","56","9","5285","5294","10.1021/acs.inorgchem.7b00377","","","0.7749","synchrotron","","0.0712","0.0438","","","0.1019","0.1153","","","","","","1.025","","","","has coordinates,has disorder","233982","2020-10-21","18:00:00",""
"4349427","16.39","0.012","14.048","0.011","14.056","0.011","90","","93.64","0.009","90","","3230","4","100","2","100","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C40 H20 F9 N5 Ru -","- C40 H20 F9 N5 Ru -","- C160 H80 F36 N20 Ru4 -","4","1","","Alemayehu, Abraham B.; Vazquez-Lima, Hugo; Gagnon, Kevin J.; Ghosh, Abhik","Stepwise Deoxygenation of Nitrite as a Route to Two Families of Ruthenium Corroles: Group 8 Periodic Trends and Relativistic Effects.","Inorganic chemistry","2017","56","9","5285","5294","10.1021/acs.inorgchem.7b00377","","","0.7749","synchrotron","","0.109","0.0739","","","0.1556","0.1775","","","","","","1.086","","","","has coordinates","233982","2020-10-21","18:00:00",""
"4349428","9.7575","0.0005","15.2026","0.0008","16.0513","0.0008","111.527","0.003","96.307","0.003","101.899","0.003","2121.9","0.2","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","","","- C80 H40 F18 N8 Ru2 -","- C80 H40 F18 N8 Ru2 -","- C80 H40 F18 N8 Ru2 -","1","0.5","","Alemayehu, Abraham B.; Vazquez-Lima, Hugo; Gagnon, Kevin J.; Ghosh, Abhik","Stepwise Deoxygenation of Nitrite as a Route to Two Families of Ruthenium Corroles: Group 8 Periodic Trends and Relativistic Effects.","Inorganic chemistry","2017","56","9","5285","5294","10.1021/acs.inorgchem.7b00377","","","0.7749","synchrotron","","0.0889","0.0659","","","0.1593","0.1765","","","","","","1.066","","","","has coordinates,has disorder","233982","2020-10-21","18:00:00",""
"4349429","11.3838","0.0004","11.8081","0.0004","11.9027","0.0004","63.221","0.002","76.232","0.002","65.638","0.002","1298.51","0.08","103","2","103","2","","","","","","","","6","P -1","-P 1","2","","","","- C28.5 H28 Ge Mn N O6 -","- C28.5 H28 Ge Mn N O6 -","- C57 H56 Ge2 Mn2 N2 O12 -","2","1","","Ismail, Muhammad Luthfi Bin; Liu, Fu-Quan; Yim, Wai-Leung; Ganguly, Rakesh; Li, Yongxin; So, Cheuk-Wai","Reactivity of a Base-Stabilized Germanium(I) Dimer toward Group 9 Metal(I) Chloride and Dimanganese Decacarbonyl.","Inorganic chemistry","2017","56","9","5402","5410","10.1021/acs.inorgchem.7b00503","","","0.71073","MoKα","","0.0302","0.0258","","","0.0658","0.0698","","","","","","1.068","","","","has coordinates,has disorder","233983","2020-10-21","18:00:00",""
"4349430","18.8722","0.0008","15.9812","0.0007","11.2988","0.0005","90","","90","","90","","3407.7","0.3","103","2","103","2","","","","","","","","7","P n m a","-P 2ac 2n","62","","","","- C37 H48 Cl Ge N O2 Rh2 -","- C37 H48 Cl Ge N O2 Rh2 -","- C148 H192 Cl4 Ge4 N4 O8 Rh8 -","4","0.5","","Ismail, Muhammad Luthfi Bin; Liu, Fu-Quan; Yim, Wai-Leung; Ganguly, Rakesh; Li, Yongxin; So, Cheuk-Wai","Reactivity of a Base-Stabilized Germanium(I) Dimer toward Group 9 Metal(I) Chloride and Dimanganese Decacarbonyl.","Inorganic chemistry","2017","56","9","5402","5410","10.1021/acs.inorgchem.7b00503","","","0.71073","MoKα","","0.1396","0.0527","","","0.1202","0.1924","","","","","","1.016","","","","has coordinates","233983","2020-10-21","18:00:00",""
"4349431","31.0583","0.0006","11.0764","0.0002","20.1279","0.0004","90","","95.9276","0.001","90","","6887.3","0.2","133","2","133","2","","","","","","","","7","C 1 2/c 1","-C 2yc","15","","","","- C36 H44 Cl2 Ge Ir N O2 -","- C36 H44 Cl2 Ge Ir N O2 -","- C288 H352 Cl16 Ge8 Ir8 N8 O16 -","8","1","","Ismail, Muhammad Luthfi Bin; Liu, Fu-Quan; Yim, Wai-Leung; Ganguly, Rakesh; Li, Yongxin; So, Cheuk-Wai","Reactivity of a Base-Stabilized Germanium(I) Dimer toward Group 9 Metal(I) Chloride and Dimanganese Decacarbonyl.","Inorganic chemistry","2017","56","9","5402","5410","10.1021/acs.inorgchem.7b00503","","","1.54178","CuKα","","0.0707","0.0697","","","0.1829","0.1833","","","","","","1.506","","","","has coordinates,has disorder","233983","2020-10-21","18:00:00",""
"4349432","19.0523","0.0008","15.9424","0.0007","11.2787","0.0005","90","","90","","90","","3425.8","0.3","103","2","103","2","","","","","","","","7","P n m a","-P 2ac 2n","62","","","","- C37 H48 Cl Ge Ir2 N O2 -","- C37 H48 Cl Ge Ir2 N O2 -","- C148 H192 Cl4 Ge4 Ir8 N4 O8 -","4","0.5","","Ismail, Muhammad Luthfi Bin; Liu, Fu-Quan; Yim, Wai-Leung; Ganguly, Rakesh; Li, Yongxin; So, Cheuk-Wai","Reactivity of a Base-Stabilized Germanium(I) Dimer toward Group 9 Metal(I) Chloride and Dimanganese Decacarbonyl.","Inorganic chemistry","2017","56","9","5402","5410","10.1021/acs.inorgchem.7b00503","","","0.71073","MoKα","","0.0362","0.0301","","","0.075","0.0788","","","","","","1.134","","","","has coordinates","233983","2020-10-21","18:00:00",""
"4349433","23.7914","0.0008","10.0173","0.0003","10.9284","0.0003","90","","91.969","0.003","90","","2602.98","0.14","110.05","0.1","110.05","0.1","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C29 H21 Fe Mn N4 O5 -","- C29 H21 Fe Mn N4 O5 -","- C116 H84 Fe4 Mn4 N16 O20 -","4","1","","Aucott, Benjamin J.; Ward, Jonathan S.; Andrew, Samuel G.; Milani, Jessica; Whitwood, Adrian C.; Lynam, Jason M.; Parkin, Alison; Fairlamb, Ian J. S.","Redox-Tagged Carbon Monoxide-Releasing Molecules (CORMs): Ferrocene-Containing [Mn(C^N)(CO)<sub>4</sub>] Complexes as a Promising New CORM Class.","Inorganic chemistry","2017","56","9","5431","5440","10.1021/acs.inorgchem.7b00509","","x-ray","0.71073","MoKα","","0.0907","0.0592","","","0.1345","0.1516","","","","","","1.068","","","","has coordinates","233985","2020-10-21","18:00:00",""
"4349434","16.0034","0.0009","9.3009","0.0004","10.3112","0.0005","90","","98.974","0.005","90","","1515.99","0.13","110.05","0.1","110.05","0.1","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C21 H17 Fe N -","- C21 H17 Fe N -","- C84 H68 Fe4 N4 -","4","1","","Aucott, Benjamin J.; Ward, Jonathan S.; Andrew, Samuel G.; Milani, Jessica; Whitwood, Adrian C.; Lynam, Jason M.; Parkin, Alison; Fairlamb, Ian J. S.","Redox-Tagged Carbon Monoxide-Releasing Molecules (CORMs): Ferrocene-Containing [Mn(C^N)(CO)<sub>4</sub>] Complexes as a Promising New CORM Class.","Inorganic chemistry","2017","56","9","5431","5440","10.1021/acs.inorgchem.7b00509","","x-ray","1.54184","CuKα","","0.056","0.046","","","0.1174","0.1231","","","","","","1.044","","","","has coordinates","233985","2020-10-21","18:00:00",""
"4349435","7.18991","0.00017","20.2412","0.0006","14.1249","0.0003","90","","93.049","0.002","90","","2052.72","0.09","111","1","111","1","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C25 H16 Fe Mn N O4 -","- C25 H16 Fe Mn N O4 -","- C100 H64 Fe4 Mn4 N4 O16 -","4","1","","Aucott, Benjamin J.; Ward, Jonathan S.; Andrew, Samuel G.; Milani, Jessica; Whitwood, Adrian C.; Lynam, Jason M.; Parkin, Alison; Fairlamb, Ian J. S.","Redox-Tagged Carbon Monoxide-Releasing Molecules (CORMs): Ferrocene-Containing [Mn(C^N)(CO)<sub>4</sub>] Complexes as a Promising New CORM Class.","Inorganic chemistry","2017","56","9","5431","5440","10.1021/acs.inorgchem.7b00509","","x-ray","0.7107","MoKα","","0.0353","0.0287","","","0.066","0.0694","","","","","","1.063","","","","has coordinates","233985","2020-10-21","18:00:00",""
"4349436","11.5142","0.0005","12.0844","0.0005","12.4101","0.0005","102.187","0.003","111.543","0.003","107.316","0.003","1430.06","0.12","153","2","153","2","","","","","","","","7","P -1","-P 1","2","","","","- C20 H40 Cl2 Li3 N4 O3 Sb -","- C20 H40 Cl2 Li3 N4 O3 Sb -","- C40 H80 Cl4 Li6 N8 O6 Sb2 -","2","1","","Harmgarth, Nicole; Liebing, Phil; Zörner, Florian; Silinskas, Mindaugas; Burte, Edmund P.; Edelmann, Frank T.","Synthesis and Crystal Structures of the First Antimony(III) Aziridinides.","Inorganic chemistry","2017","56","8","4267","4270","10.1021/acs.inorgchem.7b00523","","","0.71073","MoKα","","0.0488","0.0433","","","0.1072","0.1089","","","","","","1.181","","","","has coordinates,has disorder","233987","2020-10-21","18:00:00",""
"4349437","7.6116","0.0004","17.4421","0.0007","6.8916","0.0004","90","","113.505","0.004","90","","839.03","0.08","153","2","153","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C12 H24 N6 Sb2 -","- C12 H24 N6 Sb2 -","- C24 H48 N12 Sb4 -","2","0.5","","Harmgarth, Nicole; Liebing, Phil; Zörner, Florian; Silinskas, Mindaugas; Burte, Edmund P.; Edelmann, Frank T.","Synthesis and Crystal Structures of the First Antimony(III) Aziridinides.","Inorganic chemistry","2017","56","8","4267","4270","10.1021/acs.inorgchem.7b00523","","","0.71073","MoKα","","0.0174","0.0136","","","0.0308","0.0316","","","","","","1.042","","","","has coordinates","233989","2020-10-21","18:00:00",""
"4349438","14.1719","0.0018","16.567","0.002","17.719","0.002","69.819","0.002","83.482","0.002","79.652","0.002","3835.3","0.8","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","","","- C92.5 H97 Cl2 Fe N3 -","- C92.5 H97 Cl2 Fe N3 -","- C185 H194 Cl4 Fe2 N6 -","2","1","","Kleinlein, Claudia; Zheng, Shao-Liang; Betley, Theodore A.","Ground State and Excited State Tuning in Ferric Dipyrrin Complexes Promoted by Ancillary Ligand Exchange.","Inorganic chemistry","2017","56","10","5892","5901","10.1021/acs.inorgchem.7b00525","","","0.71073","MoKα","","0.067","0.0528","","","0.1283","0.1374","","","","","","1.016","","","","has coordinates,has disorder","233991","2020-10-21","18:00:00",""
"4349439","11.3497","0.0007","15.6754","0.001","20.6916","0.0013","72.9525","0.0012","79.5083","0.0012","74.5905","0.0012","3371.2","0.4","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","","","- C83.5 H69 Cl2 Fe N2 -","- C83.486 H68.984 Cl2 Fe N2 -","- C166.972 H137.968 Cl4 Fe2 N4 -","2","1","","Kleinlein, Claudia; Zheng, Shao-Liang; Betley, Theodore A.","Ground State and Excited State Tuning in Ferric Dipyrrin Complexes Promoted by Ancillary Ligand Exchange.","Inorganic chemistry","2017","56","10","5892","5901","10.1021/acs.inorgchem.7b00525","","","0.71073","MoKα","","0.0744","0.0514","","","0.1295","0.1428","","","","","","1.034","","","","has coordinates,has disorder","233991","2020-10-21","18:00:00",""
"4349440","11.923","0.008","16.423","0.011","18.089","0.012","102.981","0.012","99.966","0.011","105.871","0.011","3214","4","100","2","100","2","","","","","","","","6","P -1","-P 1","2","","","","- C82.25 H72 Cl Fe N2 O -","- C82.243 H71.992 Cl Fe N2 O -","- C164.486 H143.984 Cl2 Fe2 N4 O2 -","2","1","","Kleinlein, Claudia; Zheng, Shao-Liang; Betley, Theodore A.","Ground State and Excited State Tuning in Ferric Dipyrrin Complexes Promoted by Ancillary Ligand Exchange.","Inorganic chemistry","2017","56","10","5892","5901","10.1021/acs.inorgchem.7b00525","","","0.71073","MoKα","","0.1632","0.0874","","","0.2104","0.248","","","","","","1.089","","","","has coordinates,has disorder","233991","2020-10-21","18:00:00",""
"4349441","13.5378","0.0005","15.9959","0.0006","33.2047","0.0013","90","","100.812","0.0009","90","","7062.8","0.5","100","2","100","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C79 H79 Fe N2 O2 -","- C79.01 H79.024 Fe N2 O2 -","- C316.04 H316.096 Fe4 N8 O8 -","4","1","","Kleinlein, Claudia; Zheng, Shao-Liang; Betley, Theodore A.","Ground State and Excited State Tuning in Ferric Dipyrrin Complexes Promoted by Ancillary Ligand Exchange.","Inorganic chemistry","2017","56","10","5892","5901","10.1021/acs.inorgchem.7b00525","","","0.41328","synchrotron","","0.0598","0.0551","","","0.1598","0.1658","","","","","","1.06","","","","has coordinates,has disorder","233991","2020-10-21","18:00:00",""
"4349442","8.7844","0.0004","8.7844","0.0004","20.285","0.0011","90","","90","","90","","1565.31","0.13","100","2","100","2","","","","","","","","6","P 21 1 1","P 2xa","4","","","","- C30 H22 Co F12 N6 P2 -","- C30 H22 Co F12 N6 P2 -","- C60 H44 Co2 F24 N12 P4 -","2","1","","Aroua, Safwan; Todorova, Tanya K.; Hommes, Paul; Chamoreau, Lise-Marie; Reissig, Hans-Ulrich; Mougel, Victor; Fontecave, Marc","Synthesis, Characterization, and DFT Analysis of Bis-Terpyridyl-Based Molecular Cobalt Complexes.","Inorganic chemistry","2017","56","10","5930","5940","10.1021/acs.inorgchem.7b00595","","x-ray","0.71073","MoKα","","0.0341","0.0337","","","0.0876","0.0879","","","","","","1.045","","","","has coordinates,has disorder","233992","2020-10-21","18:00:00",""
"4349443","26.3611","0.0005","26.3611","0.0005","29.3615","0.0009","90","","90","","90","","20403.5","0.8","150","0.1","150","0.1","","","","","","","","7","I 4/m","-I 4","87","","","","- C50.88 H39.75 Co F12 N6 O1.62 P2 -","- C50.875 H39.75 Co F12 N6 O1.625 P2 -","- C814 H636 Co16 F192 N96 O26 P32 -","16","1","","Aroua, Safwan; Todorova, Tanya K.; Hommes, Paul; Chamoreau, Lise-Marie; Reissig, Hans-Ulrich; Mougel, Victor; Fontecave, Marc","Synthesis, Characterization, and DFT Analysis of Bis-Terpyridyl-Based Molecular Cobalt Complexes.","Inorganic chemistry","2017","56","10","5930","5940","10.1021/acs.inorgchem.7b00595","","","0.71073","MoKα","","0.0973","0.0879","","","0.1764","0.1814","","","","","","1.192","","","","has coordinates,has disorder","233992","2020-10-21","18:00:00",""
"4349444","29.201","0.003","29.201","0.003","11.2474","0.001","90","","90","","90","","9590.6","1.6","108","2","108","","","","","","","","","7","I -4","I -4","82","","","","- C49 H36 Co F12 N6 O P2 -","- C49 H36 Co F12 N6 O P2 -","- C392 H288 Co8 F96 N48 O8 P16 -","8","1","","Aroua, Safwan; Todorova, Tanya K.; Hommes, Paul; Chamoreau, Lise-Marie; Reissig, Hans-Ulrich; Mougel, Victor; Fontecave, Marc","Synthesis, Characterization, and DFT Analysis of Bis-Terpyridyl-Based Molecular Cobalt Complexes.","Inorganic chemistry","2017","56","10","5930","5940","10.1021/acs.inorgchem.7b00595","","x-ray","0.71073","MoKα","","0.1215","0.0918","","","0.1802","0.1942","","","","","","1.059","","","","has coordinates","233992","2020-10-21","18:00:00",""
"4349445","18.845","0.0008","19.058","0.0007","26.3274","0.001","90","","90","","90","","9455.4","0.6","200","1","200","1","","","","","","","","6","I b a m","-I 2 2c","72","","","","- C53 H38 Co F12 N6 P2 -","- C53 H38 Co F12 N6 P2 -","- C424 H304 Co8 F96 N48 P16 -","8","0.5","","Aroua, Safwan; Todorova, Tanya K.; Hommes, Paul; Chamoreau, Lise-Marie; Reissig, Hans-Ulrich; Mougel, Victor; Fontecave, Marc","Synthesis, Characterization, and DFT Analysis of Bis-Terpyridyl-Based Molecular Cobalt Complexes.","Inorganic chemistry","2017","56","10","5930","5940","10.1021/acs.inorgchem.7b00595","","","1.54178","CuKα","","0.0509","0.0408","","","0.1081","0.1146","","","","","","1.042","","","","has coordinates","233992","2020-10-21","18:00:00",""
"4349446","12.9504","0.0003","23.0152","0.0005","15.3445","0.0003","90","","107.787","0.001","90","","4354.9","0.16","200","1","200","1","","","","","","","","7","C 1 2/c 1","-C 2yc","15","","","","- C41 H46 Co F12 N8 O P2 -","- C41 H46 Co F12 N8 O P2 -","- C164 H184 Co4 F48 N32 O4 P8 -","4","0.5","","Aroua, Safwan; Todorova, Tanya K.; Hommes, Paul; Chamoreau, Lise-Marie; Reissig, Hans-Ulrich; Mougel, Victor; Fontecave, Marc","Synthesis, Characterization, and DFT Analysis of Bis-Terpyridyl-Based Molecular Cobalt Complexes.","Inorganic chemistry","2017","56","10","5930","5940","10.1021/acs.inorgchem.7b00595","","","0.71073","MoKα","","0.0537","0.0423","","","0.1206","0.1373","","","","","","1.075","","","","has coordinates","233992","2020-10-21","18:00:00",""
"4349447","14.3893","0.0005","20.5352","0.0008","22.0651","0.0007","95.201","0.002","104.364","0.002","99.178","0.002","6177.2","0.4","200","2","200","2","","","","","","","","7","P -1","-P 1","2","","","","- C109 H135 Co2 F24 N20 O2.5 P4 -","- C106 H126.5 Co2 F24 N20 O2.5 P4 -","- C212 H253 Co4 F48 N40 O5 P8 -","2","1","","Aroua, Safwan; Todorova, Tanya K.; Hommes, Paul; Chamoreau, Lise-Marie; Reissig, Hans-Ulrich; Mougel, Victor; Fontecave, Marc","Synthesis, Characterization, and DFT Analysis of Bis-Terpyridyl-Based Molecular Cobalt Complexes.","Inorganic chemistry","2017","56","10","5930","5940","10.1021/acs.inorgchem.7b00595","","","1.54178","CuKα","","0.1644","0.0952","","","0.2679","0.3264","","","","","","1.023","","","","has coordinates,has disorder","233992","2020-10-21","18:00:00",""
"4349448","11.2802","0.0004","11.4333","0.0004","25.4651","0.001","83.481","0.002","79.146","0.002","88.677","0.002","3204.6","0.2","200","2","200","2","","","","","","","","6","P -1","-P 1","2","","","","- C60 H76 Co F12 N12 P2 -","- C60 H76 Co F12 N12 P2 -","- C120 H152 Co2 F24 N24 P4 -","2","1","","Aroua, Safwan; Todorova, Tanya K.; Hommes, Paul; Chamoreau, Lise-Marie; Reissig, Hans-Ulrich; Mougel, Victor; Fontecave, Marc","Synthesis, Characterization, and DFT Analysis of Bis-Terpyridyl-Based Molecular Cobalt Complexes.","Inorganic chemistry","2017","56","10","5930","5940","10.1021/acs.inorgchem.7b00595","","","0.71073","MoKα","","0.0927","0.0638","","","0.1787","0.2026","","","","","","0.934","","","","has coordinates,has disorder","233992","2020-10-21","18:00:00",""
"4349484","10.013","0.007","10.253","0.007","10.564","0.006","65.31","0.06","63.75","0.05","89.72","0.07","862","1.2","293","2","293","2","","","","","","","","6","P 1","P 1","1","","(Ph3PO)2MnBr2","","- C36 H30 Br2 Mn O2 P2 -","- C36 H30 Br2 Mn O2 P2 -","- C36 H30 Br2 Mn O2 P2 -","1","1","","Tang, Yuan-Yuan; Wang, Zhong-Xia; Li, Peng-Fei; You, Yu-Meng; Stroppa, Alessandro; Xiong, Ren-Gen","Brilliant triboluminescence in a potential organic‒inorganic hybrid ferroelectric: (Ph3PO)2MnBr2","Inorganic Chemistry Frontiers","2017","4","1","154","","10.1039/C6QI00148C","","","0.71073","MoKα","","0.0731","0.0403","","","0.0922","0.1483","","","","","","0.863","","","","has coordinates","234813","2020-10-21","18:00:00",""
"4349531","11.5756","0.0003","15.326","0.0004","20.1152","0.0005","90","","101.354","0.002","90","","3498.75","0.16","104.1","","104.1","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C58 H106 N2 O27 V6 -","- C58 H106 N2 O27 V6 -","- C116 H212 N4 O54 V12 -","2","0.5","","Huang, Bo; Xiao, Zicheng; Wu, Baolin; Hu, Xiaokang; Hu, Xunliang; Wu, Pingfan; Wei, Yongge","Synthesis, crystal structure and spectroscopic studies of a series of hexavanadate hybrids with multiple functional groups","Inorganic Chemistry Frontiers","2017","4","1","165","","10.1039/C6QI00302H","","","0.71073","MoKα","","0.0759","0.0554","","","0.1416","0.155","","","","","","1.022","","","","has coordinates,has disorder","234860","2020-10-21","18:00:00",""
"4349532","11.3754","0.0002","16.3585","0.0003","18.4016","0.0004","90","","99.0881","0.0018","90","","3381.27","0.11","103.7","","103.7","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C58 H98 N2 O27 V6 -","- C58 H98 N2 O27 V6 -","- C116 H196 N4 O54 V12 -","2","0.5","","Huang, Bo; Xiao, Zicheng; Wu, Baolin; Hu, Xiaokang; Hu, Xunliang; Wu, Pingfan; Wei, Yongge","Synthesis, crystal structure and spectroscopic studies of a series of hexavanadate hybrids with multiple functional groups","Inorganic Chemistry Frontiers","2017","4","1","165","","10.1039/C6QI00302H","","","0.7107","MoKα","","0.0663","0.0489","","","0.1132","0.1213","","","","","","1.045","","","","has coordinates","234860","2020-10-21","18:00:00",""
"4349533","11.02","0.002","15.154","0.003","19.352","0.004","90","","97.36","0.03","90","","3205.1","1.1","99.99","0.1","99.99","0.1","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C50 H94 N2 O23 V6 -","- C50 H94 N2 O23 V6 -","- C100 H188 N4 O46 V12 -","2","0.5","","Huang, Bo; Xiao, Zicheng; Wu, Baolin; Hu, Xiaokang; Hu, Xunliang; Wu, Pingfan; Wei, Yongge","Synthesis, crystal structure and spectroscopic studies of a series of hexavanadate hybrids with multiple functional groups","Inorganic Chemistry Frontiers","2017","4","1","165","","10.1039/C6QI00302H","","","1.54184","CuKα","","0.053","0.0462","","","0.137","0.142","","","","","","1.383","","","","has coordinates","234860","2020-10-21","18:00:00",""
"4349535","21.3041","0.0003","14.3738","0.0002","21.3818","0.0003","90","","92.286","0.01","90","","6542.34","0.17","173","0.2","173","0.2","","","","","","","","6","I 1 2/a 1","-I 2ya","15","","","","- C112 H82 Co8 Li8 N16 O81 -","- C112 H82 Co8 Li8 N16 O81 -","- C224 H164 Co16 Li16 N32 O162 -","2","0.25","","Kim, Saet Byeol; Kim, Jeung Yoon; Jeong, Nak Cheon; Ok, Kang Min","Anisotropic Li+ ion conductivity in a large single crystal of a Co(iii) coordination complex","Inorganic Chemistry Frontiers","2017","4","1","79","","10.1039/C6QI00314A","","x-ray","0.71073","MoKα","","0.0739","0.037","","","0.0738","0.0832","","","","","","0.869","","","","has coordinates","234864","2020-10-21","18:00:00",""
"4349536","14.0209","0.001","9.5023","0.001","12.8892","0.001","90","","113.564","0.01","90","","1574","0.3","173","0.2","173","0.2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C14 H10 Co N2 Na O10 -","- C14 H10 Co N2 Na O10 -","- C56 H40 Co4 N8 Na4 O40 -","4","1","","Kim, Saet Byeol; Kim, Jeung Yoon; Jeong, Nak Cheon; Ok, Kang Min","Anisotropic Li+ ion conductivity in a large single crystal of a Co(iii) coordination complex","Inorganic Chemistry Frontiers","2017","4","1","79","","10.1039/C6QI00314A","","x-ray","0.71073","MoKα","","0.0458","0.0305","","","0.0695","0.0736","","","","","","0.966","","","","has coordinates","234864","2020-10-21","18:00:00",""
"4349537","6.9113","0.001","6.9113","0.001","28.4262","0.0014","90","","90","","90","","1357.8","0.3","173","0.2","173","0.2","","","","","","","","6","I 41/a :2","-I 4ad","88","","","","- C14 H6 Co K N2 O8 -","- C14 H6 Co K N2 O8 -","- C56 H24 Co4 K4 N8 O32 -","4","0.25","","Kim, Saet Byeol; Kim, Jeung Yoon; Jeong, Nak Cheon; Ok, Kang Min","Anisotropic Li+ ion conductivity in a large single crystal of a Co(iii) coordination complex","Inorganic Chemistry Frontiers","2017","4","1","79","","10.1039/C6QI00314A","","x-ray","0.71073","MoKα","","0.0659","0.0397","","","0.1023","0.1115","","","","","","0.99","","","","has coordinates","234864","2020-10-21","18:00:00",""
"4349538","7.026","0.001","7.026","0.001","27.891","0.003","90","","90","","90","","1376.8","0.3","173","0.2","173","0.2","","","","","","","","5","I 41/a :2","-I 4ad","88","","","","- C14 H8 Co N2 O9 -","- C14 H8 Co N2 O9 -","- C56 H32 Co4 N8 O36 -","4","0.25","","Kim, Saet Byeol; Kim, Jeung Yoon; Jeong, Nak Cheon; Ok, Kang Min","Anisotropic Li+ ion conductivity in a large single crystal of a Co(iii) coordination complex","Inorganic Chemistry Frontiers","2017","4","1","79","","10.1039/C6QI00314A","","x-ray","0.71073","MoKα","","0.029","0.0262","","","0.0706","0.0717","","","","","","1.088","","","","has coordinates","234864","2020-10-21","18:00:00",""
"4349539","23.2945","0.0018","27.293","0.002","23.8874","0.0019","90","","99.429","0.002","90","","14982","2","150","2","150","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","Compound 3","9H-carbazole-3,6-dicarboxylic acid","","- C209 H144 Cu12 N25 O72 -","- C209 H144 Cu12 N25 O72 -","- C418 H288 Cu24 N50 O144 -","2","0.5","","López-Olvera, Alfredo; Sánchez-González, Elí; Campos-Reales-Pineda, Alberto; Aguilar-Granda, Andrés; Ibarra, Ilich A.; Rodríguez-Molina, Braulio","CO2 capture in a carbazole-based supramolecular polyhedron structure: the significance of Cu(ii) open metal sites","Inorganic Chemistry Frontiers","2017","4","1","56","","10.1039/C6QI00342G","","","0.71073","MoKα","","0.2271","0.1186","","","0.3171","0.3614","","","","","","1.576","","","","has coordinates","234866","2020-10-21","18:00:00",""
"4349546","7.6634","0.0002","25.2373","0.0007","15.2304","0.0004","90","","101.744","0.004","90","","2883.95","0.14","293","2","293","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C24 H14 I4 N2 O6 U -","- C24 H14 I4 N2 O6 U -","- C96 H56 I16 N8 O24 U4 -","4","1","","Carter, Korey P.; Kalaj, Mark; Cahill, Christopher L.","Harnessing uranyl oxo atoms via halogen bonding interactions in molecular uranyl materials featuring 2,5-diiodobenzoic acid and N-donor capping ligands","Inorganic Chemistry Frontiers","2017","4","1","65","","10.1039/C6QI00352D","","x-ray","0.71073","MoKα","","0.0592","0.0399","","","0.089","0.0987","","","","","","1.041","","","","has coordinates","234873","2020-10-21","18:00:00",""
"4349547","9.2236","0.0008","28.08","0.003","8.6636","0.0008","90","","104.853","0.011","90","","2168.9","0.4","293","2","293","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C38 H24 I4 N4 O10 U2 -","- C38 H24 I4 N4 O10 U2 -","- C76 H48 I8 N8 O20 U4 -","2","0.5","","Carter, Korey P.; Kalaj, Mark; Cahill, Christopher L.","Harnessing uranyl oxo atoms via halogen bonding interactions in molecular uranyl materials featuring 2,5-diiodobenzoic acid and N-donor capping ligands","Inorganic Chemistry Frontiers","2017","4","1","65","","10.1039/C6QI00352D","","x-ray","0.71073","MoKα","","0.0558","0.0362","","","0.0755","0.0839","","","","","","1.032","","","","has coordinates","234873","2020-10-21","18:00:00",""
"4349548","19.2039","0.001","10.5773","0.0005","28.8136","0.0014","90","","96.772","0.007","90","","5811.9","0.5","293","2","293","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C26 H14 I4 N2 O6 U -","- C26 H14 I4 N2 O6 U -","- C208 H112 I32 N16 O48 U8 -","8","2","","Carter, Korey P.; Kalaj, Mark; Cahill, Christopher L.","Harnessing uranyl oxo atoms via halogen bonding interactions in molecular uranyl materials featuring 2,5-diiodobenzoic acid and N-donor capping ligands","Inorganic Chemistry Frontiers","2017","4","1","65","","10.1039/C6QI00352D","","x-ray","0.71073","MoKα","","0.0605","0.0344","","","0.0628","0.0709","","","","","","1.015","","","","has coordinates","234873","2020-10-21","18:00:00",""
"4349549","14.7607","0.0009","16.8925","0.001","13.3636","0.0008","90","","104.521","0.011","90","","3225.7","0.4","293","2","293","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C29 H17 I4 N3 O6 U -","- C29 H17 I4 N3 O6 U -","- C116 H68 I16 N12 O24 U4 -","4","1","","Carter, Korey P.; Kalaj, Mark; Cahill, Christopher L.","Harnessing uranyl oxo atoms via halogen bonding interactions in molecular uranyl materials featuring 2,5-diiodobenzoic acid and N-donor capping ligands","Inorganic Chemistry Frontiers","2017","4","1","65","","10.1039/C6QI00352D","","x-ray","0.71073","MoKα","","0.0719","0.0396","","","0.0803","0.0934","","","","","","1.015","","","","has coordinates","234873","2020-10-21","18:00:00",""
"4349550","15.72","0.007","16.555","0.008","13.408","0.007","90","","106.011","0.006","90","","3354","3","293","2","293","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C29 H16 Cl I4 N3 O6 U -","- C29 H16 Cl I4 N3 O6 U -","- C116 H64 Cl4 I16 N12 O24 U4 -","4","1","","Carter, Korey P.; Kalaj, Mark; Cahill, Christopher L.","Harnessing uranyl oxo atoms via halogen bonding interactions in molecular uranyl materials featuring 2,5-diiodobenzoic acid and N-donor capping ligands","Inorganic Chemistry Frontiers","2017","4","1","65","","10.1039/C6QI00352D","","x-ray","0.71073","MoKα","","0.0864","0.0544","","","0.1328","0.1436","","","","","","1.039","","","","has coordinates","234873","2020-10-21","18:00:00",""
"4349551","10.0684","0.0018","11.644","0.002","12.261","0.002","91.165","0.003","113.983","0.002","90.21","0.003","1313","0.4","110","2","110","2","","","","","","","","6","P -1","-P 1","2","","","","- C24 H14 Br4 N2 O6 U -","- C24 H14 Br4 N2 O6 U -","- C48 H28 Br8 N4 O12 U2 -","2","1","","Carter, Korey P.; Kalaj, Mark; Cahill, Christopher L.","Harnessing uranyl oxo atoms via halogen bonding interactions in molecular uranyl materials featuring 2,5-diiodobenzoic acid and N-donor capping ligands","Inorganic Chemistry Frontiers","2017","4","1","65","","10.1039/C6QI00352D","","x-ray","0.71073","MoKα","","0.054","0.0374","","","0.0689","0.0744","","","","","","1.001","","","","has coordinates","234873","2020-10-21","18:00:00",""
"4349554","10.997","0.002","14.914","0.003","14.368","0.003","90","","109.31","0.03","90","","2223.9","0.9","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C14 H12 N O10 Zn2 -","- C14 H12 N O10 Zn2 -","- C56 H48 N4 O40 Zn8 -","4","1","","Yu, Mei-Hui; Hu, Tong-Liang; Bu, Xian-He","A metal‒organic framework as a “turn on” fluorescent sensor for aluminum ions","Inorganic Chemistry Frontiers","2017","4","2","256","","10.1039/C6QI00362A","","","0.71073","MoKα","","0.0632","0.0537","","","0.1282","0.1336","","","","","","1.068","","","","has coordinates","234877","2020-10-21","18:00:00",""
"4349555","26.541","0.004","26.541","0.004","34.867","0.005","90","","90","","90","","24561","6","296","2","296","2","","","","","","","","5","I 41/a :2","-I 4ad","88","","","","- C54 H34 F8 Fe N10 -","- C54 H34 F8 Fe N10 -","- C432 H272 F64 Fe8 N80 -","8","0.5","","Zhang, Li; Hou, Lei; Zhao, Xin; Zhang, Zengqi; Wang, Yongsong; Li, Jun","Three metalloporphyrin frameworks containing imidazole groups: synthesis, characterization and properties","Inorganic Chemistry Frontiers","2017","4","2","360","","10.1039/C6QI00381H","","","0.71073","MoKα","","0.1199","0.0772","","","0.1448","0.1847","","","","","","0.848","","","","has coordinates","234878","2020-10-21","18:00:00",""
"4349556","33.892","0.004","15.6147","0.0019","21.209","0.003","90","","115.307","0.002","90","","10147","2","296","2","296","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C50 H26 Co F6 N8 -","- C50 H26 Co F6 N8 -","- C400 H208 Co8 F48 N64 -","8","1","","Zhang, Li; Hou, Lei; Zhao, Xin; Zhang, Zengqi; Wang, Yongsong; Li, Jun","Three metalloporphyrin frameworks containing imidazole groups: synthesis, characterization and properties","Inorganic Chemistry Frontiers","2017","4","2","360","","10.1039/C6QI00381H","","","0.71073","MoKα","","0.1356","0.0855","","","0.235","0.2619","","","","","","0.911","","","","has coordinates","234878","2020-10-21","18:00:00",""
"4349557","36.843","0.008","15.898","0.003","20.661","0.004","90","","111.869","0.005","90","","11231","4","296","2","296","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C58 H48 Co N8 -","- C58 H48 Co N8 -","- C464 H384 Co8 N64 -","8","1","","Zhang, Li; Hou, Lei; Zhao, Xin; Zhang, Zengqi; Wang, Yongsong; Li, Jun","Three metalloporphyrin frameworks containing imidazole groups: synthesis, characterization and properties","Inorganic Chemistry Frontiers","2017","4","2","360","","10.1039/C6QI00381H","","","0.71073","MoKα","","0.1793","0.0735","","","0.1621","0.191","","","","","","0.774","","","","has coordinates","234878","2020-10-21","18:00:00",""
"4349560","12.4118","0.0009","13.9055","0.0016","13.967","0.0016","90","","90","","90","","2410.6","0.4","293","2","293","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C24 H28 Cl2 Co N5 O2 -","- C24 H28 Cl2 Co N5 O2 -","- C96 H112 Cl8 Co4 N20 O8 -","4","1","","Yadav, Sunil; Kumar, Sushil; Gupta, Rajeev","Cobalt complexes of pyrrolecarboxamide ligands as catalysts in nitro reduction reactions: influence of electronic substituents on catalysis and mechanistic insights","Inorganic Chemistry Frontiers","2017","4","2","324","","10.1039/C6QI00389C","","","0.71073","MoKα","","0.0919","0.0835","","","0.2028","0.206","","","","","","1.167","","","","has coordinates","234883","2020-10-21","18:00:00",""
"4349561","11.8868","0.0011","11.8963","0.0011","14.6976","0.0013","90.589","0.002","94.01","0.002","98.338","0.003","2050.9","0.3","173","2","173","2","","","","","","","","6","P -1","-P 1","2","","","","- C78 H94 Co2 Dy2 N12 O24 -","- C78 H94 Co2 Dy2 N12 O24 -","- C78 H94 Co2 Dy2 N12 O24 -","1","0.5","","Li, Jing; Wei, Rong-Min; Pu, Tian-Cheng; Cao, Fan; Yang, Li; Han, Yuan; Zhang, Yi-Quan; Zuo, Jing-Lin; Song, You","Tuning quantum tunnelling of magnetization through 3d‒4f magnetic interactions: an alternative approach for manipulating single-molecule magnetism","Inorganic Chemistry Frontiers","2017","4","1","114","","10.1039/C6QI00407E","","","0.71073","MoKα","","0.0981","0.0527","","","0.1105","0.1569","","","","","","1.179","","","","has coordinates","234885","2020-10-21","18:00:00",""
"4349562","10.97","0.002","16.084","0.003","20.34","0.003","90","","114.546","0.007","90","","3264.5","1","296","2","296","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C66 H66 Dy2 Mn2 N8 O20 -","- C66 H66 Dy2 Mn2 N8 O20 -","- C132 H132 Dy4 Mn4 N16 O40 -","2","0.5","","Li, Jing; Wei, Rong-Min; Pu, Tian-Cheng; Cao, Fan; Yang, Li; Han, Yuan; Zhang, Yi-Quan; Zuo, Jing-Lin; Song, You","Tuning quantum tunnelling of magnetization through 3d‒4f magnetic interactions: an alternative approach for manipulating single-molecule magnetism","Inorganic Chemistry Frontiers","2017","4","1","114","","10.1039/C6QI00407E","","","0.71073","MoKα","","0.059","0.0383","","","0.0819","0.0901","","","","","","1.053","","","","has coordinates","234885","2020-10-21","18:00:00",""
"4349563","11.4697","0.0013","11.6701","0.0014","13.4425","0.0016","86.002","0.002","66.152","0.002","68.286","0.002","1522.1","0.3","296","2","296","2","","","","","","","","6","P -1","-P 1","2","","","","- C62 H60 Dy2 N6 O20 Zn2 -","- C62 H60 Dy2 N6 O20 Zn2 -","- C62 H60 Dy2 N6 O20 Zn2 -","1","0.5","","Li, Jing; Wei, Rong-Min; Pu, Tian-Cheng; Cao, Fan; Yang, Li; Han, Yuan; Zhang, Yi-Quan; Zuo, Jing-Lin; Song, You","Tuning quantum tunnelling of magnetization through 3d‒4f magnetic interactions: an alternative approach for manipulating single-molecule magnetism","Inorganic Chemistry Frontiers","2017","4","1","114","","10.1039/C6QI00407E","","","0.71073","MoKα","","0.0542","0.0364","","","0.0892","0.1043","","","","","","1.019","","","","has coordinates","234885","2020-10-21","18:00:00",""
"4349564","30.8754","0.0009","15.5743","0.0007","38.3804","0.0014","90","","90","","90","","18455.7","1.2","149.9","0.2","149.9","0.2","","","","","","","","6","P b c a","-P 2ac 2ab","61","","","","- C166 H122 Cl12 N20 O12 Zn2 -","- C166 H122 Cl12 N20 O12 Zn2 -","- C664 H488 Cl48 N80 O48 Zn8 -","4","0.5","","Wang, Kang; Huang, Chunhua; Pan, Houhe; Kobayashi, Nagao; Jiang, Jianzhuang","A post-cyclotetramerization strategy towards novel binuclear phthalocyanine dimers","Inorganic Chemistry Frontiers","2017","4","1","110","","10.1039/C6QI00408C","","","1.54184","CuKα","","0.1574","0.1244","","","0.317","0.3465","","","","","","1.144","","","","has coordinates","234887","2020-10-21","18:00:00",""
"4349578","7.1665","0.0014","32.669","0.007","17.06","0.003","90","","90","","90","","3994.1","1.4","293","2","100","2","","","","","","","","5","C m m m","-C 2 2","65","","","","- C66 H78 In2 N10 O20 -","- C48 H28 In2 N4 O10 -","- C96 H56 In4 N8 O20 -","2","0.125","","Luo, Jiahuan; Wang, Jing; Cao, Yu; Yao, Shuo; Zhang, Lirong; Huo, Qisheng; Liu, Yunling","Assembly of an indium‒porphyrin framework JLU-Liu7: a mesoporous metal‒organic framework with high gas adsorption and separation of light hydrocarbons","Inorganic Chemistry Frontiers","2017","4","1","139","","10.1039/C6QI00440G","","","1.54178","CuKα","","0.0558","0.0489","","","0.1412","0.1459","","","","","","1.135","","","","has coordinates","234895","2020-10-21","18:00:00",""
"4349579","8.3881","0.0003","9.2948","0.0005","15.6577","0.0006","90","","90","","90","","1220.76","0.09","150","2","150","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C11 H14 O S3 -","- C11 H14 O S3 -","- C44 H56 O4 S12 -","4","1","","Andrade, Marta M.; Silva, Rafaela A. L.; Santos, Isabel C.; Lopes, Elsa B.; Rabaça, Sandra; Pereira, Laura C. J.; Coutinho, Joana T.; Telo, João P.; Rovira, Concepció; Almeida, Manuel; Belo, Dulce","Gold and nickel alkyl substituted bis-thiophenedithiolene complexes: anionic and neutral forms","Inorganic Chemistry Frontiers","2017","4","2","270","","10.1039/C6QI00447D","","","0.71073","MoKα","","0.042","0.032","","","0.0628","0.0654","","","","","","1.04","","","","has coordinates","234898","2020-10-21","18:00:00",""
"4349580","20.3392","0.0004","18.2631","0.0004","11.261","0.0002","90","","108.353","0.001","90","","3970.21","0.14","150","2","150","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C40 H40 Au P S6 -","- C40 H40 Au P S6 -","- C160 H160 Au4 P4 S24 -","4","0.5","","Andrade, Marta M.; Silva, Rafaela A. L.; Santos, Isabel C.; Lopes, Elsa B.; Rabaça, Sandra; Pereira, Laura C. J.; Coutinho, Joana T.; Telo, João P.; Rovira, Concepció; Almeida, Manuel; Belo, Dulce","Gold and nickel alkyl substituted bis-thiophenedithiolene complexes: anionic and neutral forms","Inorganic Chemistry Frontiers","2017","4","2","270","","10.1039/C6QI00447D","","","0.71073","MoKα","","0.0303","0.022","","","0.0547","0.0573","","","","","","1.038","","","","has coordinates,has disorder","234898","2020-10-21","18:00:00",""
"4349581","20.478","0.0004","18.0224","0.0004","11.1559","0.0002","90","","108.495","0.001","90","","3904.58","0.14","150","2","150","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C40 H40 Ni P S6 -","- C40 H40 Ni P S6 -","- C160 H160 Ni4 P4 S24 -","4","0.5","","Andrade, Marta M.; Silva, Rafaela A. L.; Santos, Isabel C.; Lopes, Elsa B.; Rabaça, Sandra; Pereira, Laura C. J.; Coutinho, Joana T.; Telo, João P.; Rovira, Concepció; Almeida, Manuel; Belo, Dulce","Gold and nickel alkyl substituted bis-thiophenedithiolene complexes: anionic and neutral forms","Inorganic Chemistry Frontiers","2017","4","2","270","","10.1039/C6QI00447D","","","0.71069","MoKα","","0.0486","0.0337","","","0.0861","0.0917","","","","","","1.066","","","","has coordinates,has disorder","234898","2020-10-21","18:00:00",""
"4349582","11.69","0.0013","12.0874","0.0003","15.5643","0.0004","92.496","0.001","92.128","0.001","102.266","0.001","2144.6","0.3","150","2","150","2","","","","","","","","5","P -1","-P 1","2","","","","- C44 H48 Au P S6 -","- C44 H48 Au P S6 -","- C88 H96 Au2 P2 S12 -","2","1","","Andrade, Marta M.; Silva, Rafaela A. L.; Santos, Isabel C.; Lopes, Elsa B.; Rabaça, Sandra; Pereira, Laura C. J.; Coutinho, Joana T.; Telo, João P.; Rovira, Concepció; Almeida, Manuel; Belo, Dulce","Gold and nickel alkyl substituted bis-thiophenedithiolene complexes: anionic and neutral forms","Inorganic Chemistry Frontiers","2017","4","2","270","","10.1039/C6QI00447D","","","0.71073","MoKα","","0.0577","0.0378","","","0.0869","0.0927","","","","","","1.019","","","","has coordinates","234898","2020-10-21","18:00:00",""
"4349583","11.6857","0.0004","12.1266","0.0004","15.3809","0.0005","92.527","0.001","91.684","0.001","102.491","0.001","2124.24","0.12","150","2","150","2","","","","","","","","5","P -1","-P 1","2","","","","- C44 H48 Ni P S6 -","- C44 H48 Ni P S6 -","- C88 H96 Ni2 P2 S12 -","2","1","","Andrade, Marta M.; Silva, Rafaela A. L.; Santos, Isabel C.; Lopes, Elsa B.; Rabaça, Sandra; Pereira, Laura C. J.; Coutinho, Joana T.; Telo, João P.; Rovira, Concepció; Almeida, Manuel; Belo, Dulce","Gold and nickel alkyl substituted bis-thiophenedithiolene complexes: anionic and neutral forms","Inorganic Chemistry Frontiers","2017","4","2","270","","10.1039/C6QI00447D","","","0.71073","MoKα","","0.0415","0.032","","","0.0745","0.078","","","","","","1.049","","","","has coordinates","234898","2020-10-21","18:00:00",""
"4349584","6.2699","0.0002","16.2029","0.0007","19.4387","0.0007","90","","94.973","0.002","90","","1967.35","0.13","150","2","150","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C16 H20 Au S6 -","- C16 H20 Au S6 -","- C64 H80 Au4 S24 -","4","1","","Andrade, Marta M.; Silva, Rafaela A. L.; Santos, Isabel C.; Lopes, Elsa B.; Rabaça, Sandra; Pereira, Laura C. J.; Coutinho, Joana T.; Telo, João P.; Rovira, Concepció; Almeida, Manuel; Belo, Dulce","Gold and nickel alkyl substituted bis-thiophenedithiolene complexes: anionic and neutral forms","Inorganic Chemistry Frontiers","2017","4","2","270","","10.1039/C6QI00447D","","","0.71073","MoKα","","0.0525","0.0306","","","0.0495","0.0527","","","","","","0.973","","","","has coordinates,has disorder","234898","2020-10-21","18:00:00",""
"4349585","6.191","0.0002","29.9727","0.0009","10.4844","0.0003","90","","96.24","0.002","90","","1933.97","0.1","150","2","150","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C16 H20 Ni S6 -","- C16 H20 Ni S6 -","- C64 H80 Ni4 S24 -","4","1","","Andrade, Marta M.; Silva, Rafaela A. L.; Santos, Isabel C.; Lopes, Elsa B.; Rabaça, Sandra; Pereira, Laura C. J.; Coutinho, Joana T.; Telo, João P.; Rovira, Concepció; Almeida, Manuel; Belo, Dulce","Gold and nickel alkyl substituted bis-thiophenedithiolene complexes: anionic and neutral forms","Inorganic Chemistry Frontiers","2017","4","2","270","","10.1039/C6QI00447D","","","0.71069","MoKα","","0.0641","0.041","","","0.0802","0.0857","","","","","","1.034","","","","has coordinates,has disorder","234898","2020-10-21","18:00:00",""
"4349586","5.7474","0.0004","8.2872","0.0005","12.3617","0.0007","97.587","0.002","98.039","0.002","98.681","0.002","569.22","0.06","150","2","150","2","","","","","","","","4","P -1","-P 1","2","","","","- C20 H28 Au S6 -","- C20 H28 Au S6 -","- C20 H28 Au S6 -","1","0.5","","Andrade, Marta M.; Silva, Rafaela A. L.; Santos, Isabel C.; Lopes, Elsa B.; Rabaça, Sandra; Pereira, Laura C. J.; Coutinho, Joana T.; Telo, João P.; Rovira, Concepció; Almeida, Manuel; Belo, Dulce","Gold and nickel alkyl substituted bis-thiophenedithiolene complexes: anionic and neutral forms","Inorganic Chemistry Frontiers","2017","4","2","270","","10.1039/C6QI00447D","","","0.71073","MoKα","","0.0282","0.0277","","","0.0631","0.0634","","","","","","1.038","","","","has coordinates","234898","2020-10-21","18:00:00",""
"4349587","5.6359","0.0002","8.354","0.0004","12.3983","0.0005","97.787","0.002","97.987","0.002","100.485","0.002","560.62","0.04","150","2","150","2","","","","","","","","4","P -1","-P 1","2","","","","- C20 H28 Ni S6 -","- C20 H28 Ni S6 -","- C20 H28 Ni S6 -","1","0.5","","Andrade, Marta M.; Silva, Rafaela A. L.; Santos, Isabel C.; Lopes, Elsa B.; Rabaça, Sandra; Pereira, Laura C. J.; Coutinho, Joana T.; Telo, João P.; Rovira, Concepció; Almeida, Manuel; Belo, Dulce","Gold and nickel alkyl substituted bis-thiophenedithiolene complexes: anionic and neutral forms","Inorganic Chemistry Frontiers","2017","4","2","270","","10.1039/C6QI00447D","","","0.71073","MoKα","","0.0351","0.0279","","","0.0644","0.0661","","","","","","1.024","","","","has coordinates","234898","2020-10-21","18:00:00",""
"4349588","8.1133","0.0004","18.7948","0.001","19.0856","0.001","90","","98.877","0.005","90","","2875.5","0.3","173","0.1","173","0.1","","","","","","","","4","I 1 2/a 1","-I 2ya","15","","cyq1","","- C32 H37 K O8 -","- C32 H37 K O8 -","- C128 H148 K4 O32 -","4","0.5","","Cui, Yaqin; Chen, Changjuan; Sun, Yangyang; Wu, Jincai; Pan, Xiaobo","Isoselective mechanism of the ring-opening polymerization of rac-lactide catalyzed by chiral potassium binolates","Inorganic Chemistry Frontiers","2017","4","2","261","","10.1039/C6QI00449K","","","0.71073","MoKα","","0.0789","0.0491","","","0.0961","0.1171","","","","","","1.05","","","","has coordinates","234901","2020-10-21","18:00:00",""
"4349589","10.9339","0.0011","11.3695","0.0012","14.208","0.002","107.602","0.002","96.818","0.002","109.876","0.002","1534.1","0.3","296","2","296.15","","","","","","","","","4","P 1","P 1","1","","","","- C33 H39 K O8 -","- C33 H39 K O8 -","- C66 H78 K2 O16 -","2","2","","Cui, Yaqin; Chen, Changjuan; Sun, Yangyang; Wu, Jincai; Pan, Xiaobo","Isoselective mechanism of the ring-opening polymerization of rac-lactide catalyzed by chiral potassium binolates","Inorganic Chemistry Frontiers","2017","4","2","261","","10.1039/C6QI00449K","","","0.71073","MoKα","","0.0683","0.0492","","","0.1196","0.1447","","","","","","1.035","","","","has coordinates","251896","2020-10-21","18:00:00",""
"4349590","20.3895","0.0007","33.1075","0.0012","21.087","0.0008","90","","115.982","0.002","90","","12796","0.8","101","2","101","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C106 H160 Cl4 N5 Ni4 O31 Tb -","- C106 H123 Cl4 N5 Ni4 O31 Tb -","- C424 H492 Cl16 N20 Ni16 O124 Tb4 -","4","1","","Rosado Piquer, L.; Jiménez Romero, E.; Lan, Y.; Wernsdorfer, W.; Aromí, G.; Sañudo, E. C.","Hybrid molecular-inorganic materials: a heterometallic [Ni4Tb] complex grafted on superparamagnetic iron oxide nanoparticles","Inorganic Chemistry Frontiers","2017","4","4","595","","10.1039/C6QI00468G","","","0.71073","MoKα","","0.1268","0.0772","","","0.2043","0.2481","","","","","","1.07","","","","has coordinates,has disorder","234903","2020-10-21","18:00:00",""
"4349591","20.432","0.003","33.212","0.005","21.126","0.003","90","","115.15","0.008","90","","12977","3","100","2","100","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C100.5 H147 Cl4 La N5 Ni4 O30 -","- C100.5 H113.5 Cl4 La N5 Ni4 O30 -","- C402 H454 Cl16 La4 N20 Ni16 O120 -","4","1","","Rosado Piquer, L.; Jiménez Romero, E.; Lan, Y.; Wernsdorfer, W.; Aromí, G.; Sañudo, E. C.","Hybrid molecular-inorganic materials: a heterometallic [Ni4Tb] complex grafted on superparamagnetic iron oxide nanoparticles","Inorganic Chemistry Frontiers","2017","4","4","595","","10.1039/C6QI00468G","","","0.71073","MoKα","","0.1203","0.0843","","","0.23","0.2612","","","","","","1.083","","","","has coordinates,has disorder","234903","2020-10-21","18:00:00",""
"4349592","7.4765","0.0003","9.8748","0.0005","10.3866","0.0009","85.982","0.006","77.23","0.007","71.633","0.006","709.77","0.08","296","2","296","2","","","","","","","","5","P -1","-P 1","2","","","","- C13 H11 N7 O Pb -","- C13 H11 N7 O Pb -","- C26 H22 N14 O2 Pb2 -","2","1","","Mahmoudi, Ghodrat; Safin, Damir A.; Mitoraj, Mariusz P.; Amini, Mojtaba; Kubicki, Maciej; Doert, Thomas; Locherer, Franziska; Fleck, Michel","Anion-driven tetrel bond-induced engineering of lead(ii) architectures with N′-(1-(2-pyridyl)ethylidene)nicotinohydrazide: experimental and theoretical findings","Inorganic Chemistry Frontiers","2017","4","1","171","","10.1039/C6QI00477F","","","0.71073","MoKα","","0.0263","0.0239","","","0.0611","0.0619","","","","","","1.038","","","","has coordinates","234906","2020-10-21","18:00:00",""
"4349593","9.6025","0.0001","14.5202","0.0002","12.4996","0.0002","90","","100.766","0.0007","90","","1712.15","0.04","296","2","296","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C14 H12 N6 O4 Pb S -","- C14 H12 N6 O4 Pb S -","- C56 H48 N24 O16 Pb4 S4 -","4","1","","Mahmoudi, Ghodrat; Safin, Damir A.; Mitoraj, Mariusz P.; Amini, Mojtaba; Kubicki, Maciej; Doert, Thomas; Locherer, Franziska; Fleck, Michel","Anion-driven tetrel bond-induced engineering of lead(ii) architectures with N′-(1-(2-pyridyl)ethylidene)nicotinohydrazide: experimental and theoretical findings","Inorganic Chemistry Frontiers","2017","4","1","171","","10.1039/C6QI00477F","","","0.71073","MoKα","","0.0327","0.0234","","","0.0514","0.0535","","","","","","1.064","","","","has coordinates","234906","2020-10-21","18:00:00",""
"4349594","8.7072","0.0001","20.7055","0.0003","8.9634","0.0001","90","","103.069","0.0006","90","","1574.13","0.03","296","2","296","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C15 H14 N4 O3 Pb -","- C15 H14 N4 O3 Pb -","- C60 H56 N16 O12 Pb4 -","4","1","","Mahmoudi, Ghodrat; Safin, Damir A.; Mitoraj, Mariusz P.; Amini, Mojtaba; Kubicki, Maciej; Doert, Thomas; Locherer, Franziska; Fleck, Michel","Anion-driven tetrel bond-induced engineering of lead(ii) architectures with N′-(1-(2-pyridyl)ethylidene)nicotinohydrazide: experimental and theoretical findings","Inorganic Chemistry Frontiers","2017","4","1","171","","10.1039/C6QI00477F","","","0.71073","MoKα","","0.0413","0.0322","","","0.0879","0.092","","","","","","0.997","","","","has coordinates","234906","2020-10-21","18:00:00",""
"4349595","10.0724","0.0008","13.9283","0.0011","13.2362","0.001","90","","112.065","0.001","90","","1720.9","0.2","193","2","193","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C13 H11 Cl N4 O6 Pb -","- C13 H11 Cl N4 O6 Pb -","- C52 H44 Cl4 N16 O24 Pb4 -","4","1","","Mahmoudi, Ghodrat; Safin, Damir A.; Mitoraj, Mariusz P.; Amini, Mojtaba; Kubicki, Maciej; Doert, Thomas; Locherer, Franziska; Fleck, Michel","Anion-driven tetrel bond-induced engineering of lead(ii) architectures with N′-(1-(2-pyridyl)ethylidene)nicotinohydrazide: experimental and theoretical findings","Inorganic Chemistry Frontiers","2017","4","1","171","","10.1039/C6QI00477F","","","0.71073","MoKα","","0.0274","0.0234","","","0.0691","0.0718","","","","","","0.996","","","","has coordinates,has disorder","234906","2020-10-21","18:00:00",""
"4349596","15.4332","0.0016","9.372","0.001","10.1192","0.001","90","","102.149","0.002","90","","1430.9","0.3","193","2","193","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C13 H11 N5 O3 Pb -","- C13 H11 N5 O3 Pb -","- C52 H44 N20 O12 Pb4 -","4","1","","Mahmoudi, Ghodrat; Safin, Damir A.; Mitoraj, Mariusz P.; Amini, Mojtaba; Kubicki, Maciej; Doert, Thomas; Locherer, Franziska; Fleck, Michel","Anion-driven tetrel bond-induced engineering of lead(ii) architectures with N′-(1-(2-pyridyl)ethylidene)nicotinohydrazide: experimental and theoretical findings","Inorganic Chemistry Frontiers","2017","4","1","171","","10.1039/C6QI00477F","","","0.71073","MoKα","","0.0331","0.0291","","","0.0797","0.0829","","","","","","1.081","","","","has coordinates","234906","2020-10-21","18:00:00",""
"4349597","12.8619","0.0004","15.9903","0.0005","18.1591","0.0006","90","","90","","90","","3734.7","0.2","296","2","296","2","","","","","","","","6","P b c a","-P 2ac 2ab","61","","","","- C15 H15 Cl N4 O7 Pb -","- C15 H15 Cl N4 O7 Pb -","- C120 H120 Cl8 N32 O56 Pb8 -","8","1","","Mahmoudi, Ghodrat; Safin, Damir A.; Mitoraj, Mariusz P.; Amini, Mojtaba; Kubicki, Maciej; Doert, Thomas; Locherer, Franziska; Fleck, Michel","Anion-driven tetrel bond-induced engineering of lead(ii) architectures with N′-(1-(2-pyridyl)ethylidene)nicotinohydrazide: experimental and theoretical findings","Inorganic Chemistry Frontiers","2017","4","1","171","","10.1039/C6QI00477F","","","0.71073","MoKα","","0.0604","0.0404","","","0.0936","0.0963","","","","","","1.109","","","","has coordinates","234906","2020-10-21","18:00:00",""
"4349598","8.151","0.003","8.049","0.003","21.772","0.009","90","","94.501","0.006","90","","1424","1","100","1","100","1","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C13 H13 Cl N4 O5 -","- C13 H13 Cl N4 O5 -","- C52 H52 Cl4 N16 O20 -","4","1","","Mahmoudi, Ghodrat; Safin, Damir A.; Mitoraj, Mariusz P.; Amini, Mojtaba; Kubicki, Maciej; Doert, Thomas; Locherer, Franziska; Fleck, Michel","Anion-driven tetrel bond-induced engineering of lead(ii) architectures with N′-(1-(2-pyridyl)ethylidene)nicotinohydrazide: experimental and theoretical findings","Inorganic Chemistry Frontiers","2017","4","1","171","","10.1039/C6QI00477F","","","0.71073","MoKα","","0.1672","0.0825","","","0.1769","0.2144","","","","","","1.023","","","","has coordinates","234906","2020-10-21","18:00:00",""
"4349599","7.5853","0.0008","16.7226","0.0014","7.0333","0.0006","90","","90","","90","","892.15","0.14","100","","100","","","","","","","","","5","C c c m","-C 2 2c","66","","","","- Cs2 H4 Hg O2 Se2 -","- Cs2 Hg O2 Se2 -","- Cs8 Hg4 O8 Se8 -","4","0.25","","Donsbach, C.; Dehnen, S.","Syntheses and properties of selenido mercurates with [HgSe2]2−anions in diverse chemical environments","Inorganic Chemistry Frontiers","2017","4","2","336","","10.1039/C6QI00481D","","","0.71073","MoKα","","0.0594","0.0564","","","0.1406","0.1448","","","","","","1.076","","","","has coordinates","234910","2020-10-21","18:00:00",""
"4349600","8.1849","0.0007","10.3302","0.0006","4.7112","0.0003","90","","90","","90","","398.34","0.05","100","","100","","","","","","","","","3","P b a m","-P 2 2ab","55","","","","- Cs2 Hg Se2 -","- Cs2 Hg Se2 -","- Cs4 Hg2 Se4 -","2","0.25","","Donsbach, C.; Dehnen, S.","Syntheses and properties of selenido mercurates with [HgSe2]2−anions in diverse chemical environments","Inorganic Chemistry Frontiers","2017","4","2","336","","10.1039/C6QI00481D","","","0.71073","MoKα","","0.0334","0.0296","","","0.0777","0.08","","","","","","1.122","","","","has coordinates","234910","2020-10-21","18:00:00",""
"4349601","22.7375","0.0009","17.1603","0.0006","19.7854","0.0005","90","","90","","90","","7719.9","0.5","100","","100","","","","","","","","","6","C m c m","-C 2c 2","63","","","","- C4 H19 Cs19 Hg7 N4 Se19 -","- C4 H18.9992 Cs19 Hg7 N4 Se19 -","- C16 H75.9968 Cs76 Hg28 N16 Se76 -","4","0.25","","Donsbach, C.; Dehnen, S.","Syntheses and properties of selenido mercurates with [HgSe2]2−anions in diverse chemical environments","Inorganic Chemistry Frontiers","2017","4","2","336","","10.1039/C6QI00481D","","","0.71073","MoKα","","0.0648","0.0418","","","0.0961","0.1023","","","","","","0.901","","","","has coordinates,has disorder","234910","2020-10-21","18:00:00",""
"4349602","10.7624","0.0005","8.894","0.0003","15.614","0.0007","90","","100.637","0.003","90","","1468.9","0.11","100","","100","","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- Cs4 H Hg O0.5 Se4 -","- Cs4 Hg O0.5 Se4 -","- Cs16 Hg4 O2 Se16 -","4","1","","Donsbach, C.; Dehnen, S.","Syntheses and properties of selenido mercurates with [HgSe2]2−anions in diverse chemical environments","Inorganic Chemistry Frontiers","2017","4","2","336","","10.1039/C6QI00481D","","","0.71073","MoKα","","0.0348","0.0195","","","0.0242","0.0255","","","","","","0.848","","","","has coordinates","234910","2020-10-21","18:00:00",""
"4349603","13.254","0.0006","13.254","0.0006","30.366","0.003","90","","90","","120","","4619.7","0.5","296","2","296","2","","","","","","","","6","R 3 c :H","R 3 -2""c","161","","","","- C4.5 H0 Cu5.25 Ge3 N3 Se9.75 -","- C4.5 Cu5.25 Ge3 N3 Se9.75 -","- C36 Cu42 Ge24 N24 Se78 -","8","0.444444","","Luo, Min; Hu, Dandan; Yang, Huajun; Li, Dongsheng; Wu, Tao","PCU-type copper-rich open-framework chalcogenides: pushing up the length limit of the connection mode and the first mixed-metal [Cu7GeSe13] cluster","Inorganic Chemistry Frontiers","2017","4","2","387","","10.1039/C6QI00482B","","","0.71073","MoKα","","0.0163","0.0149","","","0.0363","0.037","","","","","","1.176","","","","has coordinates","234913","2020-10-21","18:00:00",""
"4349604","23.5208","0.0017","23.5208","0.0017","23.5208","0.0017","90","","90","","90","","13012.4","1.6","293","2","293","2","","","","","","","","3","I m -3","-I 2 2 3","204","","","","- Cu32 Ge24 Se76 -","- Cu32 Ge24 Se76 -","- Cu64 Ge48 Se152 -","2","0.0416667","","Luo, Min; Hu, Dandan; Yang, Huajun; Li, Dongsheng; Wu, Tao","PCU-type copper-rich open-framework chalcogenides: pushing up the length limit of the connection mode and the first mixed-metal [Cu7GeSe13] cluster","Inorganic Chemistry Frontiers","2017","4","2","387","","10.1039/C6QI00482B","","","0.71073","MoKα","","0.122","0.0771","","","0.1782","0.1987","","","","","","1.086","","","","has coordinates","234913","2020-10-21","18:00:00",""
"4349605","24.0523","0.0005","24.0523","0.0005","24.0523","0.0005","90","","90","","90","","13914.6","0.5","293","2","293","2","","","","","","","","3","I m -3","-I 2 2 3","204","CuSnSe","","","- Cu32 Se76 Sn24 -","- Cu32 Se76 Sn24 -","- Cu64 Se152 Sn48 -","2","0.0416667","","Luo, Min; Hu, Dandan; Yang, Huajun; Li, Dongsheng; Wu, Tao","PCU-type copper-rich open-framework chalcogenides: pushing up the length limit of the connection mode and the first mixed-metal [Cu7GeSe13] cluster","Inorganic Chemistry Frontiers","2017","4","2","387","","10.1039/C6QI00482B","","","0.71073","MoKα","","0.113","0.061","","","0.1658","0.1789","","","","","","0.985","","","","has coordinates","234913","2020-10-21","18:00:00",""
"4349606","22.7454","0.0006","22.7454","0.0006","22.7454","0.0006","90","","90","","90","","11767.4","0.5","273","2","273","2","","","","","","","","8","I m -3","-I 2 2 3","204","1c","","","- C12 H Cl3 Cu32 Ge24 N12 Ni6 S72 -","- C12 Cl3 Cu32 Ge24 N12 Ni6 S72 -","- C24 Cl6 Cu64 Ge48 N24 Ni12 S144 -","2","0.0416667","","Luo, Min; Hu, Dandan; Yang, Huajun; Li, Dongsheng; Wu, Tao","PCU-type copper-rich open-framework chalcogenides: pushing up the length limit of the connection mode and the first mixed-metal [Cu7GeSe13] cluster","Inorganic Chemistry Frontiers","2017","4","2","387","","10.1039/C6QI00482B","","","0.71073","MoKα","","0.0955","0.0782","","","0.2023","0.2156","","","","","","1.056","","","","has coordinates","234913","2020-10-21","18:00:00",""
"4349607","11.0745","0.0004","7.0979","0.0003","8.8499","0.0003","90","","94.104","0.001","90","","693.87","0.05","294","2","294","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- Co F10 H16 O8 U2 -","- Co F10 H16 O8 U2 -","- Co2 F20 H32 O16 U4 -","2","0.5","","Felder, Justin; Yeon, Jeongho; Smith, Mark; zur Loye, Hans-Conrad","Application of a mild hydrothermal method to the synthesis of mixed transition-metal(ii)/uranium(iv) fluorides","Inorganic Chemistry Frontiers","2017","4","2","368","","10.1039/C6QI00491A","","","0.71073","MoKα","","0.0213","0.021","","","0.0524","0.0527","","","","","","1.102","","","","has coordinates","234916","2020-10-21","18:00:00",""
"4349608","12.366","0.004","6.975","0.002","8.081","0.003","90","","93.201","0.006","90","","695.9","0.4","294","2","294","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- F6 H6 Mn O3 U -","- F6 H6 Mn O3 U -","- F24 H24 Mn4 O12 U4 -","4","0.5","","Felder, Justin; Yeon, Jeongho; Smith, Mark; zur Loye, Hans-Conrad","Application of a mild hydrothermal method to the synthesis of mixed transition-metal(ii)/uranium(iv) fluorides","Inorganic Chemistry Frontiers","2017","4","2","368","","10.1039/C6QI00491A","","","0.71073","MoKα","","0.0154","0.0152","","","0.0371","0.0372","","","","","","1.077","","","","has coordinates","234916","2020-10-21","18:00:00",""
"4349609","12.1137","0.0007","6.9186","0.0004","7.9813","0.0004","90","","92.9113","0.0015","90","","668.05","0.06","100","2","100","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- F6 H6 O3 U Zn -","- F6 H6 O3 U Zn -","- F24 H24 O12 U4 Zn4 -","4","0.5","","Felder, Justin; Yeon, Jeongho; Smith, Mark; zur Loye, Hans-Conrad","Application of a mild hydrothermal method to the synthesis of mixed transition-metal(ii)/uranium(iv) fluorides","Inorganic Chemistry Frontiers","2017","4","2","368","","10.1039/C6QI00491A","","","0.71073","MoKα","","0.0102","0.01","","","0.0235","0.0235","","","","","","1.13","","","","has coordinates","234916","2020-10-21","18:00:00",""
"4349610","11.0116","0.0005","7.0571","0.0003","8.8476","0.0004","90","","94.2424","0.0013","90","","685.66","0.05","100","2","100","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- F10 H16 O8 U2 Zn -","- F10 H16 O8 U2 Zn -","- F20 H32 O16 U4 Zn2 -","2","0.5","","Felder, Justin; Yeon, Jeongho; Smith, Mark; zur Loye, Hans-Conrad","Application of a mild hydrothermal method to the synthesis of mixed transition-metal(ii)/uranium(iv) fluorides","Inorganic Chemistry Frontiers","2017","4","2","368","","10.1039/C6QI00491A","","","0.71073","MoKα","","0.013","0.0118","","","0.0272","0.0277","","","","","","1.104","","","","has coordinates","234916","2020-10-21","18:00:00",""
"4349611","10.9605","0.0007","7.0441","0.0004","8.8514","0.0006","90","","94.532","0.002","90","","681.25","0.07","100","2","100","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- F10 H16 Ni O8 U2 -","- F10 H16 Ni O8 U2 -","- F20 H32 Ni2 O16 U4 -","2","0.5","","Felder, Justin; Yeon, Jeongho; Smith, Mark; zur Loye, Hans-Conrad","Application of a mild hydrothermal method to the synthesis of mixed transition-metal(ii)/uranium(iv) fluorides","Inorganic Chemistry Frontiers","2017","4","2","368","","10.1039/C6QI00491A","","","0.71073","MoKα","","0.0175","0.015","","","0.0272","0.0276","","","","","","1.125","","","","has coordinates","234916","2020-10-21","18:00:00",""
"4349612","7.3935","0.0004","9.1136","0.0006","12.1362","0.0007","90.411","0.002","104.798","0.002","111.102","0.002","733.14","0.08","100","2","100","","","","","","","","","6","P -1","-P 1","2","","","","- C36 H24 Cl2 Co N4 O4 -","- C36 H24 Cl2 Co N4 O4 -","- C36 H24 Cl2 Co N4 O4 -","1","0.5","","Lovitt, June I.; Hawes, Chris S.; Lynes, Amy D.; Haffner, Benjamin; Möbius, Matthias E.; Gunnlaugsson, Thorfinnur","Coordination chemistry of N-picolyl-1,8-naphthalimides: colourful low molecular weight metallo-gelators and unique chelation behaviours","Inorganic Chemistry Frontiers","2017","4","2","296","","10.1039/C6QI00498A","","","0.71073","MoKα","","0.0831","0.0466","","","0.0895","0.1047","","","","","","1.036","","","","has coordinates","234919","2020-10-21","18:00:00",""
"4349613","9.1182","0.0004","23.7237","0.0013","7.2314","0.0004","90","","103.296","0.004","90","","1522.35","0.14","100","2","99.99","","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C36 H22 Cl2 Co N6 O8 -","- C36 H22 Cl2 Co N6 O8 -","- C72 H44 Cl4 Co2 N12 O16 -","2","0.5","","Lovitt, June I.; Hawes, Chris S.; Lynes, Amy D.; Haffner, Benjamin; Möbius, Matthias E.; Gunnlaugsson, Thorfinnur","Coordination chemistry of N-picolyl-1,8-naphthalimides: colourful low molecular weight metallo-gelators and unique chelation behaviours","Inorganic Chemistry Frontiers","2017","4","2","296","","10.1039/C6QI00498A","","","1.54178","CuKα","","0.0918","0.0792","","","0.2224","0.2319","","","","","","1.064","","","","has coordinates","234919","2020-10-21","18:00:00",""
"4349614","6.992","0.0004","18.0217","0.0014","22.5014","0.0016","90","","90","","90","","2835.4","0.3","100","2","100.01","","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C18 H11 N3 O4 -","- C18 H11 N3 O4 -","- C144 H88 N24 O32 -","8","1","","Lovitt, June I.; Hawes, Chris S.; Lynes, Amy D.; Haffner, Benjamin; Möbius, Matthias E.; Gunnlaugsson, Thorfinnur","Coordination chemistry of N-picolyl-1,8-naphthalimides: colourful low molecular weight metallo-gelators and unique chelation behaviours","Inorganic Chemistry Frontiers","2017","4","2","296","","10.1039/C6QI00498A","","","1.54178","CuKα","","0.1173","0.0825","","","0.2255","0.2698","","","","","","1.04","","","","has coordinates","234919","2020-10-21","18:00:00",""
"4349615","7.3139","0.0002","8.5996","0.0003","14.4546","0.0005","94.943","0.001","102.033","0.001","113.978","0.001","797.44","0.05","100","2","100","","","","","","","","","6","P -1","-P 1","2","","","","- C18 H12 Cl2 N2 O2 Zn -","- C18 H12 Cl2 N2 O2 Zn -","- C36 H24 Cl4 N4 O4 Zn2 -","2","1","","Lovitt, June I.; Hawes, Chris S.; Lynes, Amy D.; Haffner, Benjamin; Möbius, Matthias E.; Gunnlaugsson, Thorfinnur","Coordination chemistry of N-picolyl-1,8-naphthalimides: colourful low molecular weight metallo-gelators and unique chelation behaviours","Inorganic Chemistry Frontiers","2017","4","2","296","","10.1039/C6QI00498A","","","0.71073","MoKα","","0.025","0.0214","","","0.053","0.0546","","","","","","1.063","","","","has coordinates","234919","2020-10-21","18:00:00",""
"4349616","16.4021","0.0005","13.3749","0.0004","17.2099","0.0006","90","","92.7917","0.001","90","","3771","0.2","100","2","100","","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C80 H64 Cl6 Co3 N12 O10 -","- C80 H64 Cl6 Co3 N12 O10 -","- C160 H128 Cl12 Co6 N24 O20 -","2","0.5","","Lovitt, June I.; Hawes, Chris S.; Lynes, Amy D.; Haffner, Benjamin; Möbius, Matthias E.; Gunnlaugsson, Thorfinnur","Coordination chemistry of N-picolyl-1,8-naphthalimides: colourful low molecular weight metallo-gelators and unique chelation behaviours","Inorganic Chemistry Frontiers","2017","4","2","296","","10.1039/C6QI00498A","","","0.71073","MoKα","","0.083","0.0406","","","0.0705","0.0824","","","","","","1.005","","","","has coordinates","234919","2020-10-21","18:00:00",""
"4349617","8.8451","0.0004","9.5894","0.0004","10.3016","0.0004","77.496","0.001","80.664","0.001","64.163","0.001","765.48","0.06","100","2","99.99","","","","","","","","","6","P -1","-P 1","2","","","","- C36 H28 Cl2 Mn N4 O6 -","- C36 H28 Cl2 Mn N4 O6 -","- C36 H28 Cl2 Mn N4 O6 -","1","0.5","","Lovitt, June I.; Hawes, Chris S.; Lynes, Amy D.; Haffner, Benjamin; Möbius, Matthias E.; Gunnlaugsson, Thorfinnur","Coordination chemistry of N-picolyl-1,8-naphthalimides: colourful low molecular weight metallo-gelators and unique chelation behaviours","Inorganic Chemistry Frontiers","2017","4","2","296","","10.1039/C6QI00498A","","x-ray","0.71073","MoKα","","0.0405","0.0297","","","0.0706","0.076","","","","","","1.025","","","","has coordinates","234919","2020-10-21","18:00:00",""
"4349618","9.1815","0.0006","14.4232","0.0008","10.1911","0.0007","90","","93.965","0.002","90","","1346.34","0.15","100","2","99.96","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C18 H12 N2 O2 -","- C18 H12 N2 O2 -","- C72 H48 N8 O8 -","4","1","","Lovitt, June I.; Hawes, Chris S.; Lynes, Amy D.; Haffner, Benjamin; Möbius, Matthias E.; Gunnlaugsson, Thorfinnur","Coordination chemistry of N-picolyl-1,8-naphthalimides: colourful low molecular weight metallo-gelators and unique chelation behaviours","Inorganic Chemistry Frontiers","2017","4","2","296","","10.1039/C6QI00498A","","","0.71073","MoKα","","0.0637","0.0398","","","0.0923","0.1061","","","","","","1.029","","","","has coordinates","234919","2020-10-21","18:00:00",""
"4349619","14.4265","0.0006","11.5416","0.0005","17.5201","0.0008","90","","90","","90","","2917.2","0.2","100","2","100.03","","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C18 H11 N3 O4 -","- C18 H11 N3 O4 -","- C144 H88 N24 O32 -","8","1","","Lovitt, June I.; Hawes, Chris S.; Lynes, Amy D.; Haffner, Benjamin; Möbius, Matthias E.; Gunnlaugsson, Thorfinnur","Coordination chemistry of N-picolyl-1,8-naphthalimides: colourful low molecular weight metallo-gelators and unique chelation behaviours","Inorganic Chemistry Frontiers","2017","4","2","296","","10.1039/C6QI00498A","","","0.71073","MoKα","","0.098","0.0588","","","0.1346","0.1506","","","","","","1.058","","","","has coordinates,has disorder","234919","2020-10-21","18:00:00",""
"4349620","8.204","0.0003","9.0699","0.0003","9.5149","0.0004","80.777","0.002","79.653","0.002","71.835","0.002","657.64","0.04","100","2","99.97","","","","","","","","","4","P -1","-P 1","2","","","","- C18 H12 N2 O2 -","- C18 H12 N2 O2 -","- C36 H24 N4 O4 -","2","1","","Lovitt, June I.; Hawes, Chris S.; Lynes, Amy D.; Haffner, Benjamin; Möbius, Matthias E.; Gunnlaugsson, Thorfinnur","Coordination chemistry of N-picolyl-1,8-naphthalimides: colourful low molecular weight metallo-gelators and unique chelation behaviours","Inorganic Chemistry Frontiers","2017","4","2","296","","10.1039/C6QI00498A","","","1.54178","CuKα","","0.0525","0.0447","","","0.1268","0.135","","","","","","0.995","","","","has coordinates","234919","2020-10-21","18:00:00",""
"4349621","10.4255","0.0008","11.0223","0.0008","28.403","0.003","90","","94.65","0.008","90","","3253.1","0.5","100","2","100.02","","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C37.33 H26 Cl2 N4.67 O4 Zn -","- C37.3332 H25.9998 Cl2 N4.6666 O4 Zn -","- C149.333 H103.999 Cl8 N18.6664 O16 Zn4 -","4","0.5","","Lovitt, June I.; Hawes, Chris S.; Lynes, Amy D.; Haffner, Benjamin; Möbius, Matthias E.; Gunnlaugsson, Thorfinnur","Coordination chemistry of N-picolyl-1,8-naphthalimides: colourful low molecular weight metallo-gelators and unique chelation behaviours","Inorganic Chemistry Frontiers","2017","4","2","296","","10.1039/C6QI00498A","","","1.54178","CuKα","","0.1292","0.0773","","","0.2085","0.2469","","","","","","1.061","","","","has coordinates,has disorder","234919","2020-10-21","18:00:00",""
"4349622","25.4298","0.0013","4.6669","0.0002","27.8832","0.0012","90","","109.266","0.003","90","","3123.8","0.3","100","2","99.99","","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C37 H28 Cl2 Mn N4 O5 -","- C37 H28 Cl2 Mn N4 O5 -","- C148 H112 Cl8 Mn4 N16 O20 -","4","0.5","","Lovitt, June I.; Hawes, Chris S.; Lynes, Amy D.; Haffner, Benjamin; Möbius, Matthias E.; Gunnlaugsson, Thorfinnur","Coordination chemistry of N-picolyl-1,8-naphthalimides: colourful low molecular weight metallo-gelators and unique chelation behaviours","Inorganic Chemistry Frontiers","2017","4","2","296","","10.1039/C6QI00498A","","","1.54178","CuKα","","0.0435","0.0379","","","0.1013","0.1057","","","","","","1.061","","","","has coordinates,has disorder","234919","2020-10-21","18:00:00",""
"4349623","9.5471","0.0011","11.7577","0.0012","14.0097","0.0015","69.421","0.003","87.4","0.004","67.391","0.003","1351.8","0.3","298","2","298","2","","","","","","","Precursor of the metabolic pathways","5","P 1","P 1","1","Cd-glutamate-bpee2","Compound2","","- C46 H44 Cd3 N10 O17 -","- C46 H44 Cd3 N10 O17 -","- C46 H44 Cd3 N10 O17 -","1","1","","Ugale, Bharat; Dhankhar, Sandeep Singh; Nagaraja, C. M.","Construction of 3D homochiral metal‒organic frameworks (MOFs) of Cd(ii): selective CO2adsorption and catalytic properties for the Knoevenagel and Henry reaction","Inorganic Chemistry Frontiers","2017","4","2","348","","10.1039/C6QI00506C","","","0.71073","MoKα","","0.0437","0.0371","","","0.0898","0.0916","","","","","","1.027","","","","has coordinates","234922","2020-10-21","18:00:00",""
"4349624","10.0425","0.0005","10.7819","0.0005","15.1215","0.0007","74.98","0.002","77.163","0.002","64.873","0.002","1419.91","0.12","298","2","298","2","","","","","","","Amino acid","5","P 1","P 1","1","Cd-glutamate-bpee","Cd-MOF","","- C46 H46 Cd2 N8 O9 -","- C46 H46 Cd2 N8 O9 -","- C46 H46 Cd2 N8 O9 -","1","1","","Ugale, Bharat; Dhankhar, Sandeep Singh; Nagaraja, C. M.","Construction of 3D homochiral metal‒organic frameworks (MOFs) of Cd(ii): selective CO2adsorption and catalytic properties for the Knoevenagel and Henry reaction","Inorganic Chemistry Frontiers","2017","4","2","348","","10.1039/C6QI00506C","","","0.71073","MoKα","","0.0477","0.0354","","","0.0734","0.0763","","","","","","1.014","","","","has coordinates","234922","2020-10-21","18:00:00",""
"4349625","10.9212","0.0006","11.0906","0.0006","13.0365","0.0005","71.247","0.004","76.901","0.004","67.048","0.005","1367.5","0.13","293","2","293","2","","","","","","","","6","P -1","-P 1","2","","","","- C48 H38 F12 Gd2 O14 S4 -","- C48 H38 F12 Gd2 O14 S4 -","- C48 H38 F12 Gd2 O14 S4 -","1","0.5","","Tu, Hao-Ran; Sun, Wen-Bin; Li, Hong-Feng; Chen, Peng; Tian, Yong-Mei; Zhang, Wan-Ying; Zhang, Yi-Quan; Yan, Peng-Fei","Complementation and joint contribution of appropriate intramolecular coupling and local ion symmetry to improve magnetic relaxation in a series of dinuclear Dy2 single-molecule magnets","Inorganic Chemistry Frontiers","2017","4","3","499","","10.1039/C6QI00508J","","","0.7107","MoKα","","0.0605","0.0492","","","0.1284","0.1386","","","","","","1.063","","","","has coordinates","234924","2020-10-21","18:00:00",""
"4349626","10.9144","0.0007","11.052","0.0009","13.0251","0.0012","71.071","0.008","76.611","0.007","67.152","0.007","1359.5","0.2","293","2","293","2","","","","","","","","6","P -1","-P 1","2","","","","- C48 H38 F12 O14 S4 Y2 -","- C48 H38 F12 O14 S4 Y2 -","- C48 H38 F12 O14 S4 Y2 -","1","0.5","","Tu, Hao-Ran; Sun, Wen-Bin; Li, Hong-Feng; Chen, Peng; Tian, Yong-Mei; Zhang, Wan-Ying; Zhang, Yi-Quan; Yan, Peng-Fei","Complementation and joint contribution of appropriate intramolecular coupling and local ion symmetry to improve magnetic relaxation in a series of dinuclear Dy2 single-molecule magnets","Inorganic Chemistry Frontiers","2017","4","3","499","","10.1039/C6QI00508J","","","0.7107","MoKα","","0.0946","0.0662","","","0.1715","0.1913","","","","","","1.035","","","","has coordinates","234924","2020-10-21","18:00:00",""
"4349627","26.2874","0.0007","14.2711","0.0004","18.5381","0.0006","90","","105.3","0.003","90","","6708.1","0.4","293","2","293","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C72 H50 F12 O14 Tb2 -","- C72 H50 F12 O14 Tb2 -","- C288 H200 F48 O56 Tb8 -","4","0.5","","Tu, Hao-Ran; Sun, Wen-Bin; Li, Hong-Feng; Chen, Peng; Tian, Yong-Mei; Zhang, Wan-Ying; Zhang, Yi-Quan; Yan, Peng-Fei","Complementation and joint contribution of appropriate intramolecular coupling and local ion symmetry to improve magnetic relaxation in a series of dinuclear Dy2 single-molecule magnets","Inorganic Chemistry Frontiers","2017","4","3","499","","10.1039/C6QI00508J","","x-ray","0.71","MoKα","","0.0717","0.045","","","0.1028","0.1207","","","","","","1.052","","","","has coordinates,has disorder","234926","2020-10-21","18:00:00",""
"4349628","26.1533","0.0005","14.2224","0.0003","18.6514","0.0005","90","","105.158","0.002","90","","6696.3","0.3","293","2","293","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C72 H50 Er2 F12 O14 -","- C72 H50 Er2 F12 O14 -","- C288 H200 Er8 F48 O56 -","4","0.5","","Tu, Hao-Ran; Sun, Wen-Bin; Li, Hong-Feng; Chen, Peng; Tian, Yong-Mei; Zhang, Wan-Ying; Zhang, Yi-Quan; Yan, Peng-Fei","Complementation and joint contribution of appropriate intramolecular coupling and local ion symmetry to improve magnetic relaxation in a series of dinuclear Dy2 single-molecule magnets","Inorganic Chemistry Frontiers","2017","4","3","499","","10.1039/C6QI00508J","","x-ray","0.71073","MoKα","","0.0708","0.0412","","","0.087","0.1054","","","","","","0.973","","","","has coordinates,has disorder","234926","2020-10-21","18:00:00",""
"4349629","10.4693","0.0005","14.2053","0.0008","14.5234","0.0007","105.513","0.005","101.95","0.004","111.582","0.005","1819.4","0.2","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C74 H62 Dy2 F12 O18 -","- C74 H62 Dy2 F12 O18 -","- C74 H62 Dy2 F12 O18 -","1","0.5","","Tu, Hao-Ran; Sun, Wen-Bin; Li, Hong-Feng; Chen, Peng; Tian, Yong-Mei; Zhang, Wan-Ying; Zhang, Yi-Quan; Yan, Peng-Fei","Complementation and joint contribution of appropriate intramolecular coupling and local ion symmetry to improve magnetic relaxation in a series of dinuclear Dy2 single-molecule magnets","Inorganic Chemistry Frontiers","2017","4","3","499","","10.1039/C6QI00508J","","x-ray","0.7107","MoKα","","0.0579","0.0457","","","0.1207","0.1325","","","","","","1.079","","","","has coordinates","234926","2020-10-21","18:00:00",""
"4349630","10.487","0.0005","14.2174","0.0007","14.5235","0.0007","65.286","0.004","78.174","0.004","68.383","0.004","1825.41","0.17","293","","297","","","","","","","","","5","P -1","-P 1","2","","","","- C74 H58 F12 O18 Tb2 -","- C74 H58 F12 O18 Tb2 -","- C74 H58 F12 O18 Tb2 -","1","0.5","","Tu, Hao-Ran; Sun, Wen-Bin; Li, Hong-Feng; Chen, Peng; Tian, Yong-Mei; Zhang, Wan-Ying; Zhang, Yi-Quan; Yan, Peng-Fei","Complementation and joint contribution of appropriate intramolecular coupling and local ion symmetry to improve magnetic relaxation in a series of dinuclear Dy2 single-molecule magnets","Inorganic Chemistry Frontiers","2017","4","3","499","","10.1039/C6QI00508J","","x-ray","0.71073","MoKα","","0.0447","0.0358","","","0.1059","0.113","","","","","","1.115","","","","has coordinates,has disorder","234926","2020-10-21","18:00:00",""
"4349631","10.5094","0.0009","14.2002","0.001","14.5239","0.0011","65.464","0.007","78.393","0.007","68.374","0.007","1830","0.3","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C74 H58 F12 Gd2 O18 -","- C74 H58 F12 Gd2 O18 -","- C74 H58 F12 Gd2 O18 -","1","0.5","","Tu, Hao-Ran; Sun, Wen-Bin; Li, Hong-Feng; Chen, Peng; Tian, Yong-Mei; Zhang, Wan-Ying; Zhang, Yi-Quan; Yan, Peng-Fei","Complementation and joint contribution of appropriate intramolecular coupling and local ion symmetry to improve magnetic relaxation in a series of dinuclear Dy2 single-molecule magnets","Inorganic Chemistry Frontiers","2017","4","3","499","","10.1039/C6QI00508J","","x-ray","0.71073","MoKα","","0.0525","0.0406","","","0.1135","0.1237","","","","","","1.051","","","","has coordinates,has disorder","234926","2020-10-21","18:00:00",""
"4349632","10.9116","0.0004","11.0698","0.0005","13.023","0.0005","71.207","0.004","76.793","0.003","67.239","0.004","1363.46","0.11","293","2","293","2","","","","","","","","6","P -1","-P 1","2","","","","- C48 H38 Dy2 F12 O14 S4 -","- C48 H38 Dy2 F12 O14 S4 -","- C48 H38 Dy2 F12 O14 S4 -","1","0.5","","Tu, Hao-Ran; Sun, Wen-Bin; Li, Hong-Feng; Chen, Peng; Tian, Yong-Mei; Zhang, Wan-Ying; Zhang, Yi-Quan; Yan, Peng-Fei","Complementation and joint contribution of appropriate intramolecular coupling and local ion symmetry to improve magnetic relaxation in a series of dinuclear Dy2 single-molecule magnets","Inorganic Chemistry Frontiers","2017","4","3","499","","10.1039/C6QI00508J","","","0.7107","MoKα","","0.0504","0.0414","","","0.1082","0.1182","","","","","","1.095","","","","has coordinates","234928","2020-10-21","18:00:00",""
"4349633","9.7688","0.0006","12.7894","0.0008","13.0685","0.0008","113.112","0.006","105.241","0.005","99.434","0.005","1381.69","0.18","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C56 H42 Dy2 F12 O14 -","- C56 H42 Dy2 F12 O14 -","- C56 H42 Dy2 F12 O14 -","1","0.5","","Tu, Hao-Ran; Sun, Wen-Bin; Li, Hong-Feng; Chen, Peng; Tian, Yong-Mei; Zhang, Wan-Ying; Zhang, Yi-Quan; Yan, Peng-Fei","Complementation and joint contribution of appropriate intramolecular coupling and local ion symmetry to improve magnetic relaxation in a series of dinuclear Dy2 single-molecule magnets","Inorganic Chemistry Frontiers","2017","4","3","499","","10.1039/C6QI00508J","","","0.7107","MoKα","","0.0699","0.0581","","","0.1449","0.1627","","","","","","1.088","","","","has coordinates","234928","2020-10-21","18:00:00",""
"4349634","26.2297","0.0006","14.2596","0.0003","18.5801","0.0005","90","","105.255","0.003","90","","6704.6","0.3","","","","","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C72 H50 Dy2 F12 O14 -","- C72 H50 Dy2 F12 O14 -","- C288 H200 Dy8 F48 O56 -","4","0.5","","Tu, Hao-Ran; Sun, Wen-Bin; Li, Hong-Feng; Chen, Peng; Tian, Yong-Mei; Zhang, Wan-Ying; Zhang, Yi-Quan; Yan, Peng-Fei","Complementation and joint contribution of appropriate intramolecular coupling and local ion symmetry to improve magnetic relaxation in a series of dinuclear Dy2 single-molecule magnets","Inorganic Chemistry Frontiers","2017","4","3","499","","10.1039/C6QI00508J","","","0.71073","MoKα","","0.0869","0.0577","","","0.146","0.1721","","","","","","1.0854","","","","has coordinates","234928","2020-10-21","18:00:00",""
"4349635","7.38","0.0015","28.29","0.006","22.47","0.005","90","","99.13","0.03","90","","4631.9","1.8","293","2","293","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C27 H18 O11 Zn2 -","- C27 H18 O11 Zn2 -","- C108 H72 O44 Zn8 -","4","1","","Zhou, Bihang; Hua, Yinying; Cheng, Fujun; Duan, Jingui; Chen, Lingyun; Jin, Wanqin","Fabrication of morphology-preserved microporous carbon from a zeolitic-like porous coordination polymer","Inorganic Chemistry Frontiers","2017","4","2","234","","10.1039/C6QI00526H","","","0.71073","MoKα","","0.0946","0.0719","","","0.2117","0.2264","","","","","","1.037","","","","has coordinates","234930","2020-10-21","18:00:00",""
"4349636","20.034","0.005","20.034","0.005","30.459","0.005","90","0.005","90","0.005","120","0.005","10587","4","293","2","293","2","","","","","","","","5","P 63/m","-P 6c","176","","","","- C66 H18 N21 O24 Zn8 -","- C66 H18 N21 O24 Zn8 -","- C132 H36 N42 O48 Zn16 -","2","0.166667","","Xie, Wei; Qin, Jun-Sheng; He, Wen-Wen; Shao, Kui-Zhan; Su, Zhong-Min; Du, Dong-Ying; Li, Shun-Li; Lan, Ya-Qian","Encapsulation of an iridium complex in a metal‒organic framework to give a composite with efficient white light emission","Inorganic Chemistry Frontiers","2017","4","3","547","","10.1039/C6QI00528D","","","0.71069","MoKα","","0.1871","0.103","","","0.2483","0.2822","","","","","","0.976","","","","has coordinates,has disorder","234932","2020-10-21","18:00:00",""
"4349637","11.6179","0.0003","19.8499","0.0004","26.7528","0.0005","85.6233","0.0012","88.5791","0.0015","87.8205","0.0013","6145.6","0.2","173","2","173.15","","","","","","","","","9","P -1","-P 1","2","","","","- C57 H80 B Cl4 Cu F4 Ni P4 S2 -","- C57 B Cl4 Cu F4 Ni P4 S2 -","- C228 B4 Cl16 Cu4 F16 Ni4 P16 S8 -","4","2","","Chu, Xiaoxiao; Xu, Xin; Su, Hao; Raje, Sakthi; Angamuthu, Raja; Tung, Chen-Ho; Wang, Wenguang","Heteronuclear assembly of Ni‒Cu dithiolato complexes: synthesis, structures, and reactivity studies","Inorganic Chemistry Frontiers","2017","4","4","706","","10.1039/C6QI00536E","","","0.71","MoKα","","0.1056","0.0672","","","0.177","0.2034","","","","","","1.013","","","","has coordinates,has disorder","234935","2020-10-21","18:00:00",""
"4349638","12.202","0.005","12.646","0.005","19.879","0.008","87.047","0.004","81.675","0.004","66.275","0.003","2778.6","1.9","173","2","173.15","","","","","","","","","9","P -1","-P 1","2","","","","- C59 H60 B Cu F4 N2 Ni P4 S2 -","- C59 H60 B Cu F4 N2 Ni P4 S2 -","- C118 H120 B2 Cu2 F8 N4 Ni2 P8 S4 -","2","1","","Chu, Xiaoxiao; Xu, Xin; Su, Hao; Raje, Sakthi; Angamuthu, Raja; Tung, Chen-Ho; Wang, Wenguang","Heteronuclear assembly of Ni‒Cu dithiolato complexes: synthesis, structures, and reactivity studies","Inorganic Chemistry Frontiers","2017","4","4","706","","10.1039/C6QI00536E","","","0.71","MoKα","","0.1017","0.0542","","","0.123","0.1472","","","","","","1.034","","","","has coordinates","234935","2020-10-21","18:00:00",""
"4349639","11.637","0.004","14.059","0.005","19.665","0.007","87.551","0.003","77.012","0.003","83.794","0.003","3116","1.9","173","2","173.15","","","","","","","","","8","P -1","-P 1","2","","","","- C59 H54 B Cu F4 Ni P4 S2 -","- C59 H54 B Cu F4 Ni P4 S2 -","- C118 H108 B2 Cu2 F8 Ni2 P8 S4 -","2","1","","Chu, Xiaoxiao; Xu, Xin; Su, Hao; Raje, Sakthi; Angamuthu, Raja; Tung, Chen-Ho; Wang, Wenguang","Heteronuclear assembly of Ni‒Cu dithiolato complexes: synthesis, structures, and reactivity studies","Inorganic Chemistry Frontiers","2017","4","4","706","","10.1039/C6QI00536E","","","0.71","MoKα","","0.1358","0.0631","","","0.1637","0.2039","","","","","","0.678","","","","has coordinates","234935","2020-10-21","18:00:00",""
"4349640","33.906","0.002","11.5072","0.0006","19.2841","0.001","90","","116.577","0.003","90","","6728.9","0.7","293","2","293","2","","","","","","","","8","C 1 2/c 1","-C 2yc","15","","","","- C58 H60 Ag2 B2 F8 Ni2 P4 S4 -","- C58 H60 Ag2 B2 F8 Ni2 P4 S4 -","- C232 H240 Ag8 B8 F32 Ni8 P16 S16 -","4","0.5","","Chu, Xiaoxiao; Xu, Xin; Su, Hao; Raje, Sakthi; Angamuthu, Raja; Tung, Chen-Ho; Wang, Wenguang","Heteronuclear assembly of Ni‒Cu dithiolato complexes: synthesis, structures, and reactivity studies","Inorganic Chemistry Frontiers","2017","4","4","706","","10.1039/C6QI00536E","","","0.71","MoKα","","0.0878","0.0613","","","0.1248","0.1346","","","","","","1.022","","","","has coordinates,has disorder","234935","2020-10-21","18:00:00",""
"4349641","9.6342","0.0019","10.239","0.002","10.592","0.002","91.283","0.003","105.014","0.002","92.062","0.002","1008","0.3","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C34 H46 Ca N6 O14 -","- C34 H46 Ca N6 O14 -","- C34 H46 Ca N6 O14 -","1","0.5","","Margariti, A.; Rapti, S.; Katsenis, A. D.; Friščić, T.; Georgiou, Y.; Manos, M. J.; Papaefstathiou, G. S.","Cu2+ sorption from aqueous media by a recyclable Ca2+ framework","Inorganic Chemistry Frontiers","2017","4","5","773","","10.1039/C6QI00542J","","","0.71073","MoKα","","0.118","0.0788","","","0.2002","0.2303","","","","","","1.06","","","","has coordinates","234938","2020-10-21","18:00:00",""
"4349642","9.9483","0.0004","13.4578","0.0005","16.0323","0.0007","95.538","0.003","104.577","0.004","110.282","0.004","1908.21","0.15","180","2","180","2","","","","","","","","6","P -1","-P 1","2","","","","- C24 H56 Co N2 P4 Te4 -","- C24 H56 Co N2 P4 Te4 -","- C48 H112 Co2 N4 P8 Te8 -","2","1","","Yao, Xiao-Nan; Yang, Mu-Wen; Xiong, Jin; Liu, Jia-Jia; Gao, Chen; Meng, Yin-Shan; Jiang, Shang-Da; Wang, Bing-Wu; Gao, Song","Enhanced magnetic anisotropy in a tellurium-coordinated cobalt single-ion magnet","Inorganic Chemistry Frontiers","2017","4","4","701","","10.1039/C6QI00543H","","","0.71073","MoKα","","0.0707","0.0359","","","0.0526","0.0647","","","","","","1.071","","","","has coordinates","276323","2022-06-28","14:09:26",""
"4349643","8.184","0.009","13.719","0.015","16.857","0.016","112.03","0.05","90.19","0.04","106.24","0.05","1672","3","150","2","150","2","","","","","","","","4","P -1","-P 1","2","","","","- C34 H30 N8 S6 -","- C34 H30 N8 S6 -","- C68 H60 N16 S12 -","2","1","","Speed, S.; Feng, M.; Fernandez Garcia, G.; Pointillart, F.; Lefeuvre, B.; Riobé, F.; Golhen, S.; Le Guennic, B.; Totti, F.; Guyot, Y.; Cador, O.; Maury, O.; Ouahab, L.","Lanthanide complexes involving multichelating TTF-based ligands","Inorganic Chemistry Frontiers","2017","4","4","604","","10.1039/C6QI00546B","","","0.71073","MoKα","","0.2073","0.0776","","","0.1412","0.2017","","","","","","0.969","","","","has coordinates","234942","2020-10-21","18:00:00",""
"4349644","8.1794","0.0014","14.562","0.002","14.923","0.003","111.939","0.008","95.39","0.006","96.41","0.007","1620.6","0.5","150","2","150","2","","","","","","","","4","P -1","-P 1","2","","","","- C34 H31 N5 S6 -","- C34 H31 N5 S6 -","- C68 H62 N10 S12 -","2","1","","Speed, S.; Feng, M.; Fernandez Garcia, G.; Pointillart, F.; Lefeuvre, B.; Riobé, F.; Golhen, S.; Le Guennic, B.; Totti, F.; Guyot, Y.; Cador, O.; Maury, O.; Ouahab, L.","Lanthanide complexes involving multichelating TTF-based ligands","Inorganic Chemistry Frontiers","2017","4","4","604","","10.1039/C6QI00546B","","","0.71073","MoKα","","0.2","0.0807","","","0.1632","0.2349","","","","","","0.966","","","","has coordinates","234942","2020-10-21","18:00:00",""
"4349645","12.5259","0.0006","16.3942","0.0009","22.1956","0.0012","87.532","0.002","88.446","0.002","74.477","0.002","4387","0.4","150","2","150","2","","","","","","","","8","P -1","-P 1","2","","","","- C65 H39 Cl2 F36 N5 O12 S6 Yb2 -","- C65 H39 Cl2 F36 N5 O12 S6 Yb2 -","- C130 H78 Cl4 F72 N10 O24 S12 Yb4 -","2","1","","Speed, S.; Feng, M.; Fernandez Garcia, G.; Pointillart, F.; Lefeuvre, B.; Riobé, F.; Golhen, S.; Le Guennic, B.; Totti, F.; Guyot, Y.; Cador, O.; Maury, O.; Ouahab, L.","Lanthanide complexes involving multichelating TTF-based ligands","Inorganic Chemistry Frontiers","2017","4","4","604","","10.1039/C6QI00546B","","","0.71073","MoKα","","0.0826","0.0577","","","0.1541","0.1755","","","","","","1.07","","","","has coordinates,has disorder","234942","2020-10-21","18:00:00",""
"4349646","12.5468","0.0007","16.3551","0.0009","22.1813","0.0011","87.829","0.002","88.851","0.002","74.949","0.002","4392.1","0.4","150","2","150","2","","","","","","","","8","P -1","-P 1","2","","","","- C65 H39 Cl2 Dy2 F36 N5 O12 S6 -","- C65 H39 Cl2 Dy2 F36 N5 O12 S6 -","- C130 H78 Cl4 Dy4 F72 N10 O24 S12 -","2","1","","Speed, S.; Feng, M.; Fernandez Garcia, G.; Pointillart, F.; Lefeuvre, B.; Riobé, F.; Golhen, S.; Le Guennic, B.; Totti, F.; Guyot, Y.; Cador, O.; Maury, O.; Ouahab, L.","Lanthanide complexes involving multichelating TTF-based ligands","Inorganic Chemistry Frontiers","2017","4","4","604","","10.1039/C6QI00546B","","","0.71073","MoKα","","0.0661","0.0496","","","0.1335","0.1512","","","","","","1.136","","","","has coordinates,has disorder","234942","2020-10-21","18:00:00",""
"4349647","22.2682","0.0013","12.7174","0.0008","33.6141","0.0016","90","","100.365","0.002","90","","9364","0.9","150","2","150","2","","","","","","","","8","P 1 21/n 1","-P 2yn","14","","","","- C72 H54 Cl4 F36 N8 O12 S6 Yb2 -","- C72 H54 Cl4 F36 N8 O12 S6 Yb2 -","- C288 H216 Cl16 F144 N32 O48 S24 Yb8 -","4","1","","Speed, S.; Feng, M.; Fernandez Garcia, G.; Pointillart, F.; Lefeuvre, B.; Riobé, F.; Golhen, S.; Le Guennic, B.; Totti, F.; Guyot, Y.; Cador, O.; Maury, O.; Ouahab, L.","Lanthanide complexes involving multichelating TTF-based ligands","Inorganic Chemistry Frontiers","2017","4","4","604","","10.1039/C6QI00546B","","","0.71073","MoKα","","0.1391","0.1173","","","0.2927","0.3091","","","","","","1.138","","","","has coordinates,has disorder","234942","2020-10-21","18:00:00",""
"4349648","41.909","0.013","24.156","0.007","11.898","0.004","90","","95.829","0.005","90","","11983","6","120","2","120","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C84 H44 Co2 O14 -","- C84 H44 Co2 O14 -","- C336 H176 Co8 O56 -","4","0.5","","Spanopoulos, Ioannis; Tsangarakis, Constantinos; Barnett, Sarah; Nowell, Harriot; Klontzas, Emmanuel; Froudakis, George E.; Trikalitis, Pantelis N.","Directed assembly of a high surface area 2D metal‒organic framework displaying the augmented “kagomé dual” (kgd-a) layered topology with high H2and CO2uptake","Inorganic Chemistry Frontiers","2017","4","5","825","","10.1039/C6QI00547K","","","0.8638","","","0.182","0.1634","","","0.4582","0.4674","","","","","","3.086","","","","has coordinates","234945","2020-10-21","18:00:00",""
"4349649","30.84","0.03","23.83","0.02","21.31","0.02","90","","101.531","0.013","90","","15345","2","250","2","250","2","","","","","","","","6","C 1 2/m 1","-C 2y","12","","","","- C84 H48 Cl2 Co4 N0 O18 -","- C84 H48 Cl2 Co4 O18 -","- C336 H192 Cl8 Co16 O72 -","4","0.5","","Spanopoulos, Ioannis; Tsangarakis, Constantinos; Barnett, Sarah; Nowell, Harriot; Klontzas, Emmanuel; Froudakis, George E.; Trikalitis, Pantelis N.","Directed assembly of a high surface area 2D metal‒organic framework displaying the augmented “kagomé dual” (kgd-a) layered topology with high H2and CO2uptake","Inorganic Chemistry Frontiers","2017","4","5","825","","10.1039/C6QI00547K","","","0.6889","Synchrotron","","0.2673","0.2395","","","0.5252","0.5349","","","","","","2.984","","","","has coordinates","234945","2020-10-21","18:00:00",""
"4349650","12.474","0.003","15.248","0.003","16.899","0.003","90","","90","","90","","3214.2","1.2","293","2","293","2","","","","","","","","6","P n c a","-P 2a 2n","60","AEMOF-7-Cu","","","- C16 H23 Cu0.27 Mg1.73 N3 O17 -","- C16 H8 Cu0.271 Mg1.729 N3 O17 -","- C64 H32 Cu1.084 Mg6.916 N12 O68 -","4","0.5","","Papazoi, Eleutheria; Douvali, Antigoni; Rapti, Sofia; Skliri, Euaggelia; Armatas, Gerasimos S.; Papaefstathiou, Giannis S.; Wang, Xin; Huang, Zhen-Feng; Kaziannis, Spyridon; Kosmidis, Constantine; Hatzidimitriou, Antonios G.; Lazarides, Theodore; Manos, Manolis J.","A microporous Mg2+ MOF with cation exchange properties in a single-crystal-to-single-crystal fashion","Inorganic Chemistry Frontiers","2017","4","3","530","","10.1039/C6QI00548A","","","0.71073","MoKα","","0.0928","0.0699","","","0.2719","0.2867","","","","","","1.205","","","","has coordinates","234948","2020-10-21","18:00:00",""
"4349651","15.265","0.003","16.886","0.003","12.48","0.003","90","","90","","90","","3216.9","1.2","298","2","298","2","","","","","","","","5","C m c m","-C 2c 2","63","AEMOF-7","","","- C16 H29 Mg2 N3 O20 -","- C16 H9 Mg2 N3 O20 -","- C64 H36 Mg8 N12 O80 -","4","0.25","","Papazoi, Eleutheria; Douvali, Antigoni; Rapti, Sofia; Skliri, Euaggelia; Armatas, Gerasimos S.; Papaefstathiou, Giannis S.; Wang, Xin; Huang, Zhen-Feng; Kaziannis, Spyridon; Kosmidis, Constantine; Hatzidimitriou, Antonios G.; Lazarides, Theodore; Manos, Manolis J.","A microporous Mg2+ MOF with cation exchange properties in a single-crystal-to-single-crystal fashion","Inorganic Chemistry Frontiers","2017","4","3","530","","10.1039/C6QI00548A","","","0.71073","MoKα","","0.0737","0.0596","","","0.1948","0.203","","","","","","0.989","","","","has coordinates,has disorder","234948","2020-10-21","18:00:00",""
"4349652","7.9872","0.0003","13.4223","0.0005","17.0038","0.0007","75.041","0.002","89.602","0.002","83.83","0.002","1750.53","0.12","150","2","150","2","","","","","","","","5","P -1","-P 1","2","","","","- C28 H42.5 Cu2 N5 O19 -","- C28 H42.5 Cu2 N5 O19 -","- C56 H85 Cu4 N10 O38 -","2","1","","Kirillova, Marina V.; Santos, Carla I. M.; André, Vânia; Fernandes, Tiago A.; Dias, Sara S. P.; Kirillov, Alexander M.","Self-assembly generation, structural features, and oxidation catalytic properties of new aqua-soluble copper(ii)-aminoalcohol derivatives","Inorganic Chemistry Frontiers","2017","4","6","968","","10.1039/C6QI00553E","","","0.71069","MoKα","","0.1005","0.0727","","","0.1616","0.1804","","","","","","1.055","","","","has coordinates,has disorder","234950","2020-10-21","18:00:00",""
"4349653","8.6322","0.0019","10.012","0.002","11.287","0.003","69.268","0.013","89.942","0.013","69.912","0.012","848.7","0.4","150","2","150","2","","","","","","","","5","P -1","-P 1","2","","","","- C11 H25 Cu N5 O8 -","- C11 H25 Cu N5 O8 -","- C22 H50 Cu2 N10 O16 -","2","1","","Kirillova, Marina V.; Santos, Carla I. M.; André, Vânia; Fernandes, Tiago A.; Dias, Sara S. P.; Kirillov, Alexander M.","Self-assembly generation, structural features, and oxidation catalytic properties of new aqua-soluble copper(ii)-aminoalcohol derivatives","Inorganic Chemistry Frontiers","2017","4","6","968","","10.1039/C6QI00553E","","","0.71069","MoKα","","0.0582","0.0432","","","0.1085","0.1158","","","","","","1.038","","","","has coordinates,has disorder","234950","2020-10-21","18:00:00",""
"4349654","15.23","0.007","13.289","0.006","30.036","0.015","90","","90.567","0.007","90","","6079","5","100","2","100","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C68 H38 F10 N6 -","- C68 H38 F10 N6 -","- C272 H152 F40 N24 -","4","2","","Das, Sudipta; Bhat, Haamid R.; Balsukuri, Naresh; Jha, Prakash C.; Hisamune, Yutaka; Ishida, Masatosi; Furuta, Hiroyuki; Mori, Shigeki; Gupta, Iti","Donor‒acceptor type A2B2 porphyrins: synthesis, energy transfer, computational and electrochemical studies","Inorganic Chemistry Frontiers","2017","4","4","618","","10.1039/C6QI00558F","","","0.71075","MoKα","","0.1162","0.0972","","","0.2272","0.2422","","","","","","1.074","","","","has coordinates,has disorder","234952","2020-10-21","18:00:00",""
"4349655","38.488","0.003","7.7754","0.0006","17.758","0.0009","90","","93.993","0.006","90","","5301.4","0.6","292","2","292","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C30 H27 Cl N2 O2 Pd -","- C30 H27 Cl N2 O2 Pd -","- C240 H216 Cl8 N16 O16 Pd8 -","8","1","","Zou, Wenping; Pang, Wenmin; Chen, Changle","Redox control in palladium catalyzed norbornene and alkyne polymerization","Inorganic Chemistry Frontiers","2017","4","5","795","","10.1039/C6QI00562D","","","0.71073","MoKα","","0.0843","0.0492","","","0.1258","0.1667","","","","","","1.08","","","","has coordinates,has disorder","234954","2020-10-21","18:00:00",""
"4349656","11.624","0.014","11.849","0.014","19.35","0.02","102.324","0.011","103.24","0.011","103.489","0.011","2420","5","123","2","123","","","","","","","","","7","P -1","-P 1","2","","","","- C46 H29 Cu F26 N2 O P3 -","- C46 H29 Cu F26 N2 O P3 -","- C92 H58 Cu2 F52 N4 O2 P6 -","2","1","","Washimi, Masaya; Nishikawa, Michihiro; Shimoda, Naohiro; Satokawa, Shigeo; Tsubomura, Taro","Blue and orange oxygen responsive emissions in the solid state based on copper(i) complexes bearing dodecafluorinated diphosphine and 1,10-phenanthroline derivative ligands","Inorganic Chemistry Frontiers","2017","4","4","639","","10.1039/C6QI00577B","","","0.71073","MoKα","","","0.1095","","","","0.3289","","","","","","1.015","","","","has coordinates","234956","2020-10-21","18:00:00",""
"4349657","12.502","0.004","18.244","0.005","19.193","0.006","90","0.001","105.068","0.001","90","0.001","4227","2","123","2","123","","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C41 H18 Cu F26 N2 O P3 -","- C41 H18 Cu F26 N2 O P3 -","- C164 H72 Cu4 F104 N8 O4 P12 -","4","1","","Washimi, Masaya; Nishikawa, Michihiro; Shimoda, Naohiro; Satokawa, Shigeo; Tsubomura, Taro","Blue and orange oxygen responsive emissions in the solid state based on copper(i) complexes bearing dodecafluorinated diphosphine and 1,10-phenanthroline derivative ligands","Inorganic Chemistry Frontiers","2017","4","4","639","","10.1039/C6QI00577B","","","0.71073","MoKα","","","0.0645","","","","0.1435","","","","","","1.135","","","","has coordinates","234956","2020-10-21","18:00:00",""
"4349658","11.679","0.005","12.12","0.005","16.489","0.007","93.297","0.005","95.906","0.005","99.978","0.006","2279.7","1.7","123","2","123","","","","","","","","","7","P -1","-P 1","2","","","","- C43 H22 Cu F26 N2 O P3 -","- C43 H22 Cu F26 N2 O P3 -","- C86 H44 Cu2 F52 N4 O2 P6 -","2","1","","Washimi, Masaya; Nishikawa, Michihiro; Shimoda, Naohiro; Satokawa, Shigeo; Tsubomura, Taro","Blue and orange oxygen responsive emissions in the solid state based on copper(i) complexes bearing dodecafluorinated diphosphine and 1,10-phenanthroline derivative ligands","Inorganic Chemistry Frontiers","2017","4","4","639","","10.1039/C6QI00577B","","","0.71073","MoKα","","","0.0433","","","","0.1009","","","","","","1.083","","","","has coordinates","234956","2020-10-21","18:00:00",""
"4349659","12.522","0.009","18.331","0.012","20.77","0.01","90","","108.75","0.04","90","","4515","5","123","2","123","","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C43 H22 Cu F26 N2 O P3 -","- C43 H22 Cu F26 N2 O P3 -","- C172 H88 Cu4 F104 N8 O4 P12 -","4","1","","Washimi, Masaya; Nishikawa, Michihiro; Shimoda, Naohiro; Satokawa, Shigeo; Tsubomura, Taro","Blue and orange oxygen responsive emissions in the solid state based on copper(i) complexes bearing dodecafluorinated diphosphine and 1,10-phenanthroline derivative ligands","Inorganic Chemistry Frontiers","2017","4","4","639","","10.1039/C6QI00577B","","","0.71073","MoKα","","","0.1016","","","","0.2582","","","","","","1.191","","","","has coordinates,has disorder","234956","2020-10-21","18:00:00",""
"4349660","8.2911","0.0014","8.3667","0.0014","8.3092","0.0014","90","","118.95","0.011","90","","504.38","0.16","405","2","405","2","","","","","","","","4","P 1 21/m 1","-P 2yb","11","","","","- C6 H16 I N -","- C6 H16 I N -","- C12 H32 I2 N2 -","2","0.5","","Piecha-Bisiorek, A.; Gągor, A.; Isakov, D.; Zieliński, P.; Gałązka, M.; Jakubas, R.","Phase sequence in diisopropylammonium iodide: avoided ferroelectricity by the appearance of a reconstructed phase","Inorganic Chemistry Frontiers","2017","4","3","553","","10.1039/C6QI00583G","","","0.7107","MoKα","","0.1129","0.0551","","","0.1411","0.1548","","","","","","0.808","","","","has coordinates","234958","2020-10-21","18:00:00",""
"4349661","8.3519","0.0001","8.3673","0.0002","14.2217","0.0003","90","","90","","90","","993.85","0.03","295","2","295","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C6 H16 I N -","- C6 H16 I N -","- C24 H64 I4 N4 -","4","1","","Piecha-Bisiorek, A.; Gągor, A.; Isakov, D.; Zieliński, P.; Gałązka, M.; Jakubas, R.","Phase sequence in diisopropylammonium iodide: avoided ferroelectricity by the appearance of a reconstructed phase","Inorganic Chemistry Frontiers","2017","4","3","553","","10.1039/C6QI00583G","","","0.71073","MoKα","","0.0457","0.0241","","","0.049","0.0534","","","","","","0.932","","","","has coordinates","234958","2020-10-21","18:00:00",""
"4349662","41.4734","0.0004","41.4734","0.0004","41.4734","0.0004","90","","90","","90","","71336","1.2","173","2","173","2","","","","","","","","5","I m -3 m","-I 4 2 3","229","HHU-1","HHU-1","","- C45 H27 Cu2 N5 O13 -","- C45 H27 Cu2 N5 O13 -","- C1080 H648 Cu48 N120 O312 -","24","0.25","","Lu, Zhiyong; Zhang, Jianfeng; He, Haiyan; Du, Liting; Hang, Cheng","A mesoporous (3,36)-connected txt-type metal‒organic framework constructed by using a naphthyl-embedded ligand exhibiting high CO2 storage and selectivity","Inorganic Chemistry Frontiers","2017","4","4","736","","10.1039/C6QI00616G","","","0.71073","MoKα","","0.0797","0.0442","","","0.1755","0.1774","","","","","","1.059","","","","has coordinates","234960","2020-10-21","18:00:00",""
"4349663","14.4508","0.0003","8.3986","0.0002","6.8032","0.0001","90","","90","","90","","825.68","0.03","293","2","293","2","","","","","","","","4","P n a 21","P 2c -2n","33","Lithium cadmium tin selenide (2/1/1/4)","Lithium cadmium tin selenide (2/1/1/4)","","- Cd Li2 Se4 Sn -","- Cd Li2 Se4 Sn -","- Cd4 Li8 Se16 Sn4 -","4","1","","Zhang, Jian-Han; Clark, Daniel J.; Weiland, Ashley; Stoyko, Stanislav S.; Kim, Yong Soo; Jang, Joon I.; Aitken, Jennifer A.","Li2CdGeSe4and Li2CdSnSe4: biaxial nonlinear optical materials with strong infrared second-order responses and laser-induced damage thresholds influenced by photoluminescence","Inorganic Chemistry Frontiers","2017","4","9","1472","","10.1039/C7QI00004A","","","0.71073","MoKα","","0.0437","0.0384","","","0.0977","0.1023","","","","","","1.163","","","","has coordinates","235726","2020-10-21","18:00:00",""
"4349664","11.264","0.005","16.103","0.008","16.181","0.01","90","","110.13","0.03","90","","2756","3","296","2","296.15","","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C28 H39 I N4 -","- C28 H39 I N4 -","- C112 H156 I4 N16 -","4","1","","Zhang, Jian-Han; Clark, Daniel J.; Weiland, Ashley; Stoyko, Stanislav S.; Kim, Yong Soo; Jang, Joon I.; Aitken, Jennifer A.","Li2CdGeSe4and Li2CdSnSe4: biaxial nonlinear optical materials with strong infrared second-order responses and laser-induced damage thresholds influenced by photoluminescence","Inorganic Chemistry Frontiers","2017","4","9","1472","","10.1039/C7QI00004A","","","0.71073","MoKα","","0.1602","0.0684","","","0.14","0.1811","","","","","","0.944","","","","has coordinates","235726","2020-10-21","18:00:00",""
"4349665","8.38","0.007","21.58","0.02","11.072","0.01","90","","109.14","0.04","90","","1892","3","123","2","123","2","","","","","","","","6","P 1 21 1","P 2yb","4","NQHG2 (2)","NQHG2","","- C43 H46 Cl2 N2 O4 Ru -","- C43 H46 Cl2 N2 O4 Ru -","- C86 H92 Cl4 N4 O8 Ru2 -","2","1","","Lastovickova, Dominika N.; Teator, Aaron J.; Shao, Huiling; Liu, Peng; Bielawski, Christopher W.","A redox-switchable ring-closing metathesis catalyst","Inorganic Chemistry Frontiers","2017","4","9","1525","","10.1039/C7QI00018A","","","1.54187","CuKα","","0.0522","0.0381","","","0.0812","0.0885","","","","","","1.039","","","","has coordinates","235728","2020-10-21","18:00:00",""
"4349666","34.9964","0.0017","14.5543","0.0006","23.6151","0.0008","90","","126.024","0.003","90","","9728.1","0.8","180.01","0.1","180.01","0.1","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C78 H150 Mn Mo6 N5 O28 -","- C77 H134.994 Mn Mo6 N5 O28 -","- C308 H539.976 Mn4 Mo24 N20 O112 -","4","0.5","","Lin, Chang-Gen; Fura, Gizaw D.; Long, Yong; Xuan, Weimin; Song, Yu-Fei","Polyoxometalate-based supramolecular hydrogels constructed through host‒guest interactions","Inorganic Chemistry Frontiers","2017","4","5","789","","10.1039/C7QI00030H","","","1.54178","CuKα","","0.1453","0.1142","","","0.2961","0.3255","","","","","","1.067","","","","has coordinates,has disorder","235730","2020-10-21","18:00:00",""
"4349667","15.1362","0.0016","16.0996","0.0018","16.6069","0.0017","77.23","0.01","70.272","0.009","76.776","0.01","3662.4","0.7","113","2","113","2","","","","","","","","6","P -1","-P 1","2","","","","- C155 H119.5 N14.5 O16 S6 Y4 -","- C155 H119.5 N14.5 O16 S6 Y4 -","- C155 H119.5 N14.5 O16 S6 Y4 -","1","0.5","","Gao, Hong-Ling; Wang, Ni-Ni; Wang, Wen-Min; Shen, Hai-Yun; Zhou, Xiao-Pu; Chang, Yi-Xin; Zhang, Ru-Xia; Cui, Jian-Zhong","Fine-tuning the magnetocaloric effect and SMMs behaviors of coplanar RE4 complexes by β-diketonate coligands","Inorganic Chemistry Frontiers","2017","4","5","860","","10.1039/C7QI00034K","","","0.71073","MoKα","","0.1321","0.0729","","","0.1905","0.2161","","","","","","0.983","","","","has coordinates,has disorder","235732","2020-10-21","18:00:00",""
"4349668","15.1453","0.0008","16.0375","0.0008","16.7228","0.0009","77.599","0.004","70.546","0.003","76.892","0.004","3687","0.3","113","2","113","2","","","","","","","","7","P -1","-P 1","2","","","","- C160.5 H128 Cl Gd4 N17 O16 S6 -","- C160.5 H128 Cl Gd4 N17 O16 S6 -","- C160.5 H128 Cl Gd4 N17 O16 S6 -","1","0.5","","Gao, Hong-Ling; Wang, Ni-Ni; Wang, Wen-Min; Shen, Hai-Yun; Zhou, Xiao-Pu; Chang, Yi-Xin; Zhang, Ru-Xia; Cui, Jian-Zhong","Fine-tuning the magnetocaloric effect and SMMs behaviors of coplanar RE4 complexes by β-diketonate coligands","Inorganic Chemistry Frontiers","2017","4","5","860","","10.1039/C7QI00034K","","","0.71073","MoKα","","0.0401","0.0319","","","0.0851","0.0892","","","","","","1.047","","","","has coordinates,has disorder","235732","2020-10-21","18:00:00",""
"4349669","15.146","0.0006","16.0882","0.0007","16.6268","0.0007","77.531","0.004","70.69","0.003","76.874","0.004","3679.7","0.3","113","2","113","2","","","","","","","","6","P -1","-P 1","2","","","","- C158 H124 N16 O16 S6 Tb4 -","- C158 H124 N16 O16 S6 Tb4 -","- C158 H124 N16 O16 S6 Tb4 -","1","0.5","","Gao, Hong-Ling; Wang, Ni-Ni; Wang, Wen-Min; Shen, Hai-Yun; Zhou, Xiao-Pu; Chang, Yi-Xin; Zhang, Ru-Xia; Cui, Jian-Zhong","Fine-tuning the magnetocaloric effect and SMMs behaviors of coplanar RE4 complexes by β-diketonate coligands","Inorganic Chemistry Frontiers","2017","4","5","860","","10.1039/C7QI00034K","","","0.71073","MoKα","","0.0307","0.0255","","","0.067","0.0717","","","","","","1.06","","","","has coordinates,has disorder","235732","2020-10-21","18:00:00",""
"4349670","15.1839","0.0013","15.9371","0.0016","16.47","0.0015","77.765","0.007","70.679","0.006","77.021","0.007","3623.7","0.6","113","2","113","2","","","","","","","","6","P -1","-P 1","2","","","","- C156 H121 Dy4 N15 O16 S6 -","- C156 H121 Dy4 N15 O16 S6 -","- C156 H121 Dy4 N15 O16 S6 -","1","0.5","","Gao, Hong-Ling; Wang, Ni-Ni; Wang, Wen-Min; Shen, Hai-Yun; Zhou, Xiao-Pu; Chang, Yi-Xin; Zhang, Ru-Xia; Cui, Jian-Zhong","Fine-tuning the magnetocaloric effect and SMMs behaviors of coplanar RE4 complexes by β-diketonate coligands","Inorganic Chemistry Frontiers","2017","4","5","860","","10.1039/C7QI00034K","","","0.71073","MoKα","","0.0655","0.0535","","","0.1511","0.1644","","","","","","1.056","","","","has coordinates,has disorder","235732","2020-10-21","18:00:00",""
"4349671","15.1618","0.0009","16.1596","0.0009","16.5171","0.0011","77.286","0.006","70.591","0.005","76.91","0.006","3671.2","0.4","113","2","113","2","","","","","","","","6","P -1","-P 1","2","","","","- C158 H124 Ho4 N16 O16 S6 -","- C158 H124 Ho4 N16 O16 S6 -","- C158 H124 Ho4 N16 O16 S6 -","1","0.5","","Gao, Hong-Ling; Wang, Ni-Ni; Wang, Wen-Min; Shen, Hai-Yun; Zhou, Xiao-Pu; Chang, Yi-Xin; Zhang, Ru-Xia; Cui, Jian-Zhong","Fine-tuning the magnetocaloric effect and SMMs behaviors of coplanar RE4 complexes by β-diketonate coligands","Inorganic Chemistry Frontiers","2017","4","5","860","","10.1039/C7QI00034K","","","0.71073","MoKα","","0.0509","0.0395","","","0.104","0.1112","","","","","","1.037","","","","has coordinates,has disorder","235732","2020-10-21","18:00:00",""
"4349672","15.1438","0.0011","16.2441","0.0015","16.6165","0.0013","77.179","0.007","70.291","0.007","76.535","0.007","3696.2","0.6","113","2","113","2","","","","","","","","6","P -1","-P 1","2","","","","- C154 H118 Er4 N14 O16 S6 -","- C154 H118 Er4 N14 O16 S6 -","- C154 H118 Er4 N14 O16 S6 -","1","0.5","","Gao, Hong-Ling; Wang, Ni-Ni; Wang, Wen-Min; Shen, Hai-Yun; Zhou, Xiao-Pu; Chang, Yi-Xin; Zhang, Ru-Xia; Cui, Jian-Zhong","Fine-tuning the magnetocaloric effect and SMMs behaviors of coplanar RE4 complexes by β-diketonate coligands","Inorganic Chemistry Frontiers","2017","4","5","860","","10.1039/C7QI00034K","","","0.71073","MoKα","","0.0826","0.0493","","","0.1334","0.1494","","","","","","0.975","","","","has coordinates,has disorder","235732","2020-10-21","18:00:00",""
"4349673","12.516","0.002","14.781","0.003","31.602","0.005","90","","98.855","0.003","90","","5776.7","1.8","113","2","113","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C114 H102 Gd4 N14 O16 S6 -","- C114 H98 Gd4 N14 O16 S6 -","- C228 H196 Gd8 N28 O32 S12 -","2","0.5","","Gao, Hong-Ling; Wang, Ni-Ni; Wang, Wen-Min; Shen, Hai-Yun; Zhou, Xiao-Pu; Chang, Yi-Xin; Zhang, Ru-Xia; Cui, Jian-Zhong","Fine-tuning the magnetocaloric effect and SMMs behaviors of coplanar RE4 complexes by β-diketonate coligands","Inorganic Chemistry Frontiers","2017","4","5","860","","10.1039/C7QI00034K","","","0.71073","MoKα","","0.096","0.0785","","","0.1984","0.2108","","","","","","1.031","","","","has coordinates,has disorder","235732","2020-10-21","18:00:00",""
"4349674","15.1083","0.0007","16.1672","0.0008","16.4663","0.0007","77.796","0.005","70.784","0.004","76.826","0.005","3657.1","0.3","113","2","113","2","","","","","","","","6","P -1","-P 1","2","","","","- C158 H124 Lu4 N16 O16 S6 -","- C158 H124 Lu4 N16 O16 S6 -","- C158 H124 Lu4 N16 O16 S6 -","1","0.5","","Gao, Hong-Ling; Wang, Ni-Ni; Wang, Wen-Min; Shen, Hai-Yun; Zhou, Xiao-Pu; Chang, Yi-Xin; Zhang, Ru-Xia; Cui, Jian-Zhong","Fine-tuning the magnetocaloric effect and SMMs behaviors of coplanar RE4 complexes by β-diketonate coligands","Inorganic Chemistry Frontiers","2017","4","5","860","","10.1039/C7QI00034K","","","0.71073","MoKα","","0.0305","0.0259","","","0.0683","0.07","","","","","","1.04","","","","has coordinates,has disorder","235732","2020-10-21","18:00:00",""
"4349675","12.5319","0.0007","14.8876","0.0007","31.5246","0.0017","90","","98.372","0.001","90","","5818.9","0.5","113","2","113","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C117 H100 N15.5 O16 S6 Tb4 -","- C116.944 H90 N15.472 O16 S6 Tb4 -","- C233.888 H180 N30.944 O32 S12 Tb8 -","2","0.5","","Gao, Hong-Ling; Wang, Ni-Ni; Wang, Wen-Min; Shen, Hai-Yun; Zhou, Xiao-Pu; Chang, Yi-Xin; Zhang, Ru-Xia; Cui, Jian-Zhong","Fine-tuning the magnetocaloric effect and SMMs behaviors of coplanar RE4 complexes by β-diketonate coligands","Inorganic Chemistry Frontiers","2017","4","5","860","","10.1039/C7QI00034K","","","0.71073","MoKα","","0.0367","0.0315","","","0.0825","0.0861","","","","","","1.037","","","","has coordinates,has disorder","235732","2020-10-21","18:00:00",""
"4349676","12.4701","0.0018","14.82","0.002","31.502","0.005","90","","98.786","0.002","90","","5753.5","1.5","113","2","113","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C118 H108 Dy4 N16 O16 S6 -","- C118 H108 Dy4 N16 O16 S6 -","- C236 H216 Dy8 N32 O32 S12 -","2","0.5","","Gao, Hong-Ling; Wang, Ni-Ni; Wang, Wen-Min; Shen, Hai-Yun; Zhou, Xiao-Pu; Chang, Yi-Xin; Zhang, Ru-Xia; Cui, Jian-Zhong","Fine-tuning the magnetocaloric effect and SMMs behaviors of coplanar RE4 complexes by β-diketonate coligands","Inorganic Chemistry Frontiers","2017","4","5","860","","10.1039/C7QI00034K","","","0.71073","MoKα","","0.0864","0.0762","","","0.2103","0.2178","","","","","","1.106","","","","has coordinates","235732","2020-10-21","18:00:00",""
"4349677","18.6153","0.0007","18.6153","0.0007","38.375","0.0013","90","","90","","120","","11516.5","0.7","293","2","293","2","","","","","","","","5","R -3 m :H","-R 3 2""","166","","","","- C22 H15 Cu2 N O10 -","- C22 H11 Cu2 N O10 -","- C198 H99 Cu18 N9 O90 -","9","0.25","","Chen, Fengli; Bai, Dongjie; Wang, Xia; He, Yabing","A comparative study of the effect of functional groups on C2H2 adsorption in NbO-type metal‒organic frameworks","Inorganic Chemistry Frontiers","2017","4","6","960","","10.1039/C7QI00063D","","","1.54184","CuKα","","0.0538","0.0501","","","0.1762","0.1806","","","","","","1.13","","","","has coordinates,has disorder","235734","2020-10-21","18:00:00",""
"4349678","18.555","0.003","18.555","0.003","38.688","0.006","90","","90","","120","","11535","3","293","2","293","2","","","","","","","","5","R -3 m :H","-R 3 2""","166","","","","- C22 H13 Cu2 N O12 -","- C22 H6 Cu2 N O12 -","- C198 H54 Cu18 N9 O108 -","9","0.25","","Chen, Fengli; Bai, Dongjie; Wang, Xia; He, Yabing","A comparative study of the effect of functional groups on C2H2 adsorption in NbO-type metal‒organic frameworks","Inorganic Chemistry Frontiers","2017","4","6","960","","10.1039/C7QI00063D","","","0.71069","MoKα","","0.0997","0.0631","","","0.158","0.1759","","","","","","1.073","","","","has coordinates,has disorder","235734","2020-10-21","18:00:00",""
"4349679","18.5503","0.0006","18.5503","0.0006","38.8068","0.0012","90","","90","","120","","11564.9","0.6","293","2","293","2","","","","","","","","5","R -3 m :H","-R 3 2""","166","","","","- C23 H13 Cu2 F3 O10 -","- C23 H9 Cu2 F3 O10 -","- C207 H81 Cu18 F27 O90 -","9","0.25","","Chen, Fengli; Bai, Dongjie; Wang, Xia; He, Yabing","A comparative study of the effect of functional groups on C2H2 adsorption in NbO-type metal‒organic frameworks","Inorganic Chemistry Frontiers","2017","4","6","960","","10.1039/C7QI00063D","","","0.71073","MoKα","","0.072","0.0557","","","0.1476","0.1604","","","","","","1.204","","","","has coordinates,has disorder","235734","2020-10-21","18:00:00",""
"4349680","18.7065","0.0019","18.7065","0.0019","38.488","0.003","90","","90","","120","","11663.8","1.9","293","2","293","2","","","","","","","","5","R -3 m :H","-R 3 2""","166","","","","- C22 H13 Cu2 F O10 -","- C22 H9 Cu2 F O10 -","- C198 H81 Cu18 F9 O90 -","9","0.25","","Chen, Fengli; Bai, Dongjie; Wang, Xia; He, Yabing","A comparative study of the effect of functional groups on C2H2 adsorption in NbO-type metal‒organic frameworks","Inorganic Chemistry Frontiers","2017","4","6","960","","10.1039/C7QI00063D","","","0.71073","MoKα","","0.0814","0.0528","","","0.1506","0.1564","","","","","","1.152","","","","has coordinates,has disorder","235734","2020-10-21","18:00:00",""
"4349681","18.6166","0.0007","18.6166","0.0007","38.6451","0.0014","90","","90","","120","","11599.1","0.7","293","2","293","2","","","","","","","","4","R -3 m :H","-R 3 2""","166","","","","- C23 H16 Cu2 O10 -","- C23 H12 Cu2 O10 -","- C207 H108 Cu18 O90 -","9","0.25","","Chen, Fengli; Bai, Dongjie; Wang, Xia; He, Yabing","A comparative study of the effect of functional groups on C2H2 adsorption in NbO-type metal‒organic frameworks","Inorganic Chemistry Frontiers","2017","4","6","960","","10.1039/C7QI00063D","","","0.71073","MoKα","","0.0832","0.0577","","","0.1814","0.1926","","","","","","1.09","","","","has coordinates,has disorder","235734","2020-10-21","18:00:00",""
"4349682","32.872","0.006","20.387","0.003","13.895","0.002","90","","113.722","0.002","90","","8525","2","296","2","296","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C102 H66 Cd3 Cl6 N6 O6 -","- C102 H66 Cd3 Cl6 N6 O6 -","- C408 H264 Cd12 Cl24 N24 O24 -","4","0.5","","Yuan, Guozan; Zhang, Qi; Wang, Zhiping; Song, Kai; Yuan, Xiaomei; Wang, Yangzhi; Zhang, Liyan","Assembly of four 8-quinolinate-based multinuclear complexes: the effect of substituents on core structures and photoluminescence properties","Inorganic Chemistry Frontiers","2017","4","5","764","","10.1039/C7QI00082K","","","0.71073","MoKα","","0.0629","0.0408","","","0.1197","0.1375","","","","","","1.034","","","","has coordinates","235738","2020-10-21","18:00:00",""
"4349683","13.5778","0.0011","24.0609","0.0019","16.4926","0.0013","90","","91.213","0.002","90","","5386.8","0.7","173","2","173","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C116 H80 Br2 Cd4 N14 O22 -","- C116 H80 Br2 Cd4 N14 O22 -","- C232 H160 Br4 Cd8 N28 O44 -","2","0.5","","Yuan, Guozan; Zhang, Qi; Wang, Zhiping; Song, Kai; Yuan, Xiaomei; Wang, Yangzhi; Zhang, Liyan","Assembly of four 8-quinolinate-based multinuclear complexes: the effect of substituents on core structures and photoluminescence properties","Inorganic Chemistry Frontiers","2017","4","5","764","","10.1039/C7QI00082K","","","0.71073","MoKα","","0.0892","0.046","","","0.1117","0.1339","","","","","","0.99","","","","has coordinates","235738","2020-10-21","18:00:00",""
"4349684","15.217","0.003","23.666","0.005","13.238","0.003","90","","93.215","0.003","90","","4759.8","1.7","296","2","296","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C108 H84 Br2 Cd4 N6 O12 -","- C108 H84 Br2 Cd4 N6 O12 -","- C216 H168 Br4 Cd8 N12 O24 -","2","0.5","","Yuan, Guozan; Zhang, Qi; Wang, Zhiping; Song, Kai; Yuan, Xiaomei; Wang, Yangzhi; Zhang, Liyan","Assembly of four 8-quinolinate-based multinuclear complexes: the effect of substituents on core structures and photoluminescence properties","Inorganic Chemistry Frontiers","2017","4","5","764","","10.1039/C7QI00082K","","","0.71073","MoKα","","0.1344","0.0508","","","0.0886","0.1156","","","","","","0.997","","","","has coordinates","235738","2020-10-21","18:00:00",""
"4349685","11.6754","0.0018","7.8687","0.0012","24.283","0.004","90","","93.351","0.002","90","","2227.1","0.6","296","2","296","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C46 H40 Cd2 I2 N2 O4 S2 -","- C46 H40 Cd2 I2 N2 O4 S2 -","- C92 H80 Cd4 I4 N4 O8 S4 -","2","0.5","","Yuan, Guozan; Zhang, Qi; Wang, Zhiping; Song, Kai; Yuan, Xiaomei; Wang, Yangzhi; Zhang, Liyan","Assembly of four 8-quinolinate-based multinuclear complexes: the effect of substituents on core structures and photoluminescence properties","Inorganic Chemistry Frontiers","2017","4","5","764","","10.1039/C7QI00082K","","","0.71073","MoKα","","0.061","0.0409","","","0.1037","0.1196","","","","","","1.028","","","","has coordinates","235738","2020-10-21","18:00:00",""
"4349686","15.0782","0.0004","29.1333","0.0006","22.2449","0.0007","90","","106.817","0.003","90","","9353.8","0.5","150","2","150","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C90 H113 Er2 Ga4 N5 O26 -","- C90 H113 Er2 Ga4 N5 O26 -","- C360 H452 Er8 Ga16 N20 O104 -","4","1","","Chen, Sihuai; Mereacre, Valeriu; Kostakis, George E.; Anson, Christopher E.; Powell, Annie K.","Systematic studies of hexanuclear {MIII4LnIII2} complexes (M = Fe, Ga; Ln = Er, Ho): structures, magnetic properties and SMM behavior","Inorganic Chemistry Frontiers","2017","4","6","927","","10.1039/C7QI00091J","","","0.71073","MoKα","","0.0452","0.0318","","","0.0622","0.0673","","","","","","1.037","","","","has coordinates,has disorder","235741","2020-10-21","18:00:00",""
"4349687","15.221","0.004","29.282","0.005","22.42","0.005","90","","108","0.03","90","","9504","4","243","2","243","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C90 H113 Fe4 Ho2 N5 O26 -","- C90 H113 Fe4 Ho2 N5 O26 -","- C360 H452 Fe16 Ho8 N20 O104 -","4","1","","Chen, Sihuai; Mereacre, Valeriu; Kostakis, George E.; Anson, Christopher E.; Powell, Annie K.","Systematic studies of hexanuclear {MIII4LnIII2} complexes (M = Fe, Ga; Ln = Er, Ho): structures, magnetic properties and SMM behavior","Inorganic Chemistry Frontiers","2017","4","6","927","","10.1039/C7QI00091J","","","0.71073","MoKα","","0.0717","0.0441","","","0.1038","0.1153","","","","","","0.953","","","","has coordinates,has disorder","235741","2020-10-21","18:00:00",""
"4349688","22.814","0.005","10.271","0.002","14.863","0.003","90","","90","","90","","3482.7","1.2","200","2","200","2","","","","","","","","8","P n a 21","P 2c -2n","33","","","","- C39 H40 Fe N O4 P Pd S -","- C39 H40 Fe N O4 P Pd S -","- C156 H160 Fe4 N4 O16 P4 Pd4 S4 -","4","1","","Feyrer, Alexander; Breher, Frank","Palladium complexes of ferrocene-based phosphine ligands as redox-switchable catalysts in Buchwald‒Hartwig cross-coupling reactions","Inorganic Chemistry Frontiers","2017","4","7","1125","","10.1039/C7QI00125H","","","0.71073","MoKα","","0.0601","0.0448","","","0.0883","0.1028","","","","","","1.114","","","","has coordinates","235743","2020-10-21","18:00:00",""
"4349689","13.449","0.003","14.178","0.003","16.696","0.003","90","","111.35","0.03","90","","2965.1","1.2","200","2","200","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C34 H40 Cl Fe P Pd -","- C34 H40 Cl Fe P Pd -","- C136 H160 Cl4 Fe4 P4 Pd4 -","4","1","","Feyrer, Alexander; Breher, Frank","Palladium complexes of ferrocene-based phosphine ligands as redox-switchable catalysts in Buchwald‒Hartwig cross-coupling reactions","Inorganic Chemistry Frontiers","2017","4","7","1125","","10.1039/C7QI00125H","","","0.71073","MoKα","","0.074","0.0529","","","0.1345","0.1587","","","","","","1.054","","","","has coordinates","235743","2020-10-21","18:00:00",""
"4349690","21.1055","0.0003","7.2526","0.0001","17.4808","0.0003","90","","90","","90","","2675.78","0.07","150","2","150","0.5","","","","","","","","5","P n m a","-P 2ac 2n","62","","","","- C11 H18 Cl N W -","- C11 H18 Cl N W -","- C88 H144 Cl8 N8 W8 -","8","1","","Wright, Christopher M. R.; Williams, Thomas J.; Turner, Zoë R.; Buffet, Jean-Charles; O'Hare, Dermot","Selective ethylene oligomerisation using supported tungsten mono-imido catalysts","Inorganic Chemistry Frontiers","2017","4","6","1048","","10.1039/C7QI00128B","","x-ray","1.54184","CuKα","","0.0461","0.0431","","","0.1187","0.122","","","","","","1.1","","","","has coordinates","235747","2020-10-21","18:00:00",""
"4349691","6.0476","0.0003","7.3129","0.0003","14.2223","0.0006","90","","97.885","0.004","90","","623.04","0.05","150","2","150","2","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C10 H16 Cl N O W -","- C10 H16 Cl N O W -","- C20 H32 Cl2 N2 O2 W2 -","2","1","","Wright, Christopher M. R.; Williams, Thomas J.; Turner, Zoë R.; Buffet, Jean-Charles; O'Hare, Dermot","Selective ethylene oligomerisation using supported tungsten mono-imido catalysts","Inorganic Chemistry Frontiers","2017","4","6","1048","","10.1039/C7QI00128B","","","1.54184","CuKα","","0.0398","0.039","","","0.1078","0.1084","","","","","","1.097","","","","has coordinates","235747","2020-10-21","18:00:00",""
"4349692","7.3092","0.0001","7.5096","0.0001","11.8873","0.0002","90.124","0.001","95.77","0.001","118.542","0.001","569.34","0.016","150","2","150","2","","","","","","","","6","P -1","-P 1","2","","","","- C9 H12 Cl F2 N W -","- C9 H12 Cl F2 N W -","- C18 H24 Cl2 F4 N2 W2 -","2","1","","Wright, Christopher M. R.; Williams, Thomas J.; Turner, Zoë R.; Buffet, Jean-Charles; O'Hare, Dermot","Selective ethylene oligomerisation using supported tungsten mono-imido catalysts","Inorganic Chemistry Frontiers","2017","4","6","1048","","10.1039/C7QI00128B","","x-ray","0.71073","Mokα","","0.0339","0.0309","","","0.078","0.08","","","","","","1.044","","","","has coordinates","235747","2020-10-21","18:00:00",""
"4349693","7.9869","0.0002","8.7291","0.0002","12.9648","0.0004","85.609","0.001","89.995","0.001","64.329","0.001","811.73","0.04","150","2","150","2","","","","","","","","6","P -1","-P 1","2","","","","- C12 H17 Cl4 N O W -","- C12 H17 Cl4 N O W -","- C24 H34 Cl8 N2 O2 W2 -","2","1","","Wright, Christopher M. R.; Williams, Thomas J.; Turner, Zoë R.; Buffet, Jean-Charles; O'Hare, Dermot","Selective ethylene oligomerisation using supported tungsten mono-imido catalysts","Inorganic Chemistry Frontiers","2017","4","6","1048","","10.1039/C7QI00128B","","","0.71073","MoKα","","0.0577","0.0387","","","0.0791","0.0865","","","","","","1.006","","","","has coordinates","235747","2020-10-21","18:00:00",""
"4349694","13.2115","0.0002","8.0822","0.0001","15.7475","0.0002","90","","109.109","0.001","90","","1588.83","0.04","150","2","150","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C11 H15 Cl4 N O2 W -","- C11 H15 Cl4 N O2 W -","- C44 H60 Cl16 N4 O8 W4 -","4","1","","Wright, Christopher M. R.; Williams, Thomas J.; Turner, Zoë R.; Buffet, Jean-Charles; O'Hare, Dermot","Selective ethylene oligomerisation using supported tungsten mono-imido catalysts","Inorganic Chemistry Frontiers","2017","4","6","1048","","10.1039/C7QI00128B","","","0.71073","MoKα","","0.0355","0.0289","","","0.0719","0.0754","","","","","","1.098","","","","has coordinates","235747","2020-10-21","18:00:00",""
"4349695","8.6354","0.0001","9.6261","0.0002","10.9204","0.0002","101.47","0.001","95.24","0.001","107.534","0.001","837.12","0.03","150","2","150","2","","","","","","","","6","P -1","-P 1","2","","","","- C12 H17 Cl4 N O W -","- C12 H17 Cl4 N O W -","- C24 H34 Cl8 N2 O2 W2 -","2","1","","Wright, Christopher M. R.; Williams, Thomas J.; Turner, Zoë R.; Buffet, Jean-Charles; O'Hare, Dermot","Selective ethylene oligomerisation using supported tungsten mono-imido catalysts","Inorganic Chemistry Frontiers","2017","4","6","1048","","10.1039/C7QI00128B","","","0.71073","MoKα","","0.0333","0.0283","","","0.0626","0.0647","","","","","","1.126","","","","has coordinates","235747","2020-10-21","18:00:00",""
"4349696","6.3636","0.0002","7.2907","0.0002","11.9698","0.0003","90","","93.495","0.002","90","","554.31","0.03","150","2","150","2","","","","","","","","5","P 1 21/m 1","-P 2yb","11","","","","- C9 H14 Cl N W -","- C9 H14 Cl N W -","- C18 H28 Cl2 N2 W2 -","2","0.5","","Wright, Christopher M. R.; Williams, Thomas J.; Turner, Zoë R.; Buffet, Jean-Charles; O'Hare, Dermot","Selective ethylene oligomerisation using supported tungsten mono-imido catalysts","Inorganic Chemistry Frontiers","2017","4","6","1048","","10.1039/C7QI00128B","","","0.71073","MoKα","","0.0448","0.0375","","","0.0913","0.0944","","","","","","1.034","","","","has coordinates,has disorder","235747","2020-10-21","18:00:00",""
"4349697","8.9918","0.0001","10.3714","0.0001","10.972","0.0001","63.427","0.001","86.047","0.001","89.359","0.001","912.735","0.018","150","2","150","2","","","","","","","","7","P -1","-P 1","2","","","","- C12 H11 Cl4 F6 N O W -","- C12 H11 Cl4 F6 N O W -","- C24 H22 Cl8 F12 N2 O2 W2 -","2","1","","Wright, Christopher M. R.; Williams, Thomas J.; Turner, Zoë R.; Buffet, Jean-Charles; O'Hare, Dermot","Selective ethylene oligomerisation using supported tungsten mono-imido catalysts","Inorganic Chemistry Frontiers","2017","4","6","1048","","10.1039/C7QI00128B","","","0.71073","MoKα","","0.0261","0.0239","","","0.0565","0.0576","","","","","","1.1","","","","has coordinates","235747","2020-10-21","18:00:00",""
"4349698","10.481","0.0002","10.8951","0.0003","12.1474","0.0003","90","","110.473","0.001","90","","1299.52","0.05","150","2","150","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C11 H18 Cl N W -","- C11 H18 Cl N W -","- C44 H72 Cl4 N4 W4 -","4","1","","Wright, Christopher M. R.; Williams, Thomas J.; Turner, Zoë R.; Buffet, Jean-Charles; O'Hare, Dermot","Selective ethylene oligomerisation using supported tungsten mono-imido catalysts","Inorganic Chemistry Frontiers","2017","4","6","1048","","10.1039/C7QI00128B","","","0.71073","MoKα","","0.0413","0.032","","","0.0752","0.0794","","","","","","1.059","","","","has coordinates","235747","2020-10-21","18:00:00",""
"4349699","8.1651","0.0002","9.4012","0.0003","9.9731","0.0003","87.462","0.002","86.122","0.002","79.773","0.002","751.26","0.04","150","2","150","2","","","","","","","","7","P -1","-P 1","2","","","","- C10 H11 Cl4 F2 N O W -","- C10 H11 Cl4 F2 N O W -","- C20 H22 Cl8 F4 N2 O2 W2 -","2","1","","Wright, Christopher M. R.; Williams, Thomas J.; Turner, Zoë R.; Buffet, Jean-Charles; O'Hare, Dermot","Selective ethylene oligomerisation using supported tungsten mono-imido catalysts","Inorganic Chemistry Frontiers","2017","4","6","1048","","10.1039/C7QI00128B","","x-ray","0.71073","MoKα","","0.0167","0.0156","","","0.0379","0.0385","","","","","","1.003","","","","has coordinates","235747","2020-10-21","18:00:00",""
"4349700","14.7317","0.0003","7.1889","0.0001","13.9923","0.0003","90","","102.12","0.001","90","","1448.82","0.05","150","2","150","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C10 H13 Cl4 N O W -","- C10 H13 Cl4 N O W -","- C40 H52 Cl16 N4 O4 W4 -","4","1","","Wright, Christopher M. R.; Williams, Thomas J.; Turner, Zoë R.; Buffet, Jean-Charles; O'Hare, Dermot","Selective ethylene oligomerisation using supported tungsten mono-imido catalysts","Inorganic Chemistry Frontiers","2017","4","6","1048","","10.1039/C7QI00128B","","","0.71073","MoKα","","0.0402","0.0308","","","0.0708","0.0744","","","","","","1.085","","","","has coordinates","235747","2020-10-21","18:00:00",""
"4349701","7.8367","0.0001","8.769","0.0002","14.2277","0.0003","78.94","0.001","89.844","0.001","63.883","0.001","857.88","0.03","150","2","150","2","","","","","","","","6","P -1","-P 1","2","","","","- C13 H19 Cl4 N O W -","- C13 H19 Cl4 N O W -","- C26 H38 Cl8 N2 O2 W2 -","2","1","","Wright, Christopher M. R.; Williams, Thomas J.; Turner, Zoë R.; Buffet, Jean-Charles; O'Hare, Dermot","Selective ethylene oligomerisation using supported tungsten mono-imido catalysts","Inorganic Chemistry Frontiers","2017","4","6","1048","","10.1039/C7QI00128B","","","0.71073","MoKα","","0.0331","0.0281","","","0.0657","0.0679","","","","","","1.077","","","","has coordinates","235747","2020-10-21","18:00:00",""
"4349702","12.2547","0.0004","22.7069","0.0007","19.3859","0.0007","90","","101.927","0.001","90","","5278","0.3","296","2","296","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","[Na(THF)3][Co(OAr)3]","","- C54 H87 Co Na O6 -","- C54 H87 Co Na O6 -","- C216 H348 Co4 Na4 O24 -","4","1","","Deng, Yi-Fei; Han, Tian; Yin, Bing; Zheng, Yan-Zhen","On balancing the QTM and the direct relaxation processes in single-ion magnets ‒ the importance of symmetry control","Inorganic Chemistry Frontiers","2017","4","7","1141","","10.1039/C7QI00135E","","","0.71073","MoKα","","0.0479","0.0392","","","0.1001","0.1065","","","","","","1.02","","","","has coordinates","235750","2020-10-21","18:00:00",""
"4349703","11.5618","0.0011","15.3114","0.0018","10.1474","0.0014","90","","124.673","0.003","90","","1477.4","0.3","298","2","298.15","","","","","","","","","5","C 1 2/m 1","-C 2y","12","","","","- C14 H8 Au Fe N7 -","- C14 H8 Au Fe N7 -","- C56 H32 Au4 Fe4 N28 -","4","0.5","","Yan, Zheng; Zhu, Long-Feng; Zhu, Lian-Wen; Meng, Yan; Hoque, Md. Najbul; Liu, Jun-Liang; Chen, Yan-Cong; Ni, Zhao-Ping; Tong, Ming-Liang","A ladder-type iron(ii) coordination polymer with enhanced spin-crossover behavior","Inorganic Chemistry Frontiers","2017","4","6","921","","10.1039/C7QI00180K","","","0.71073","MoKα","","0.0553","0.0475","","","0.1173","0.1197","","","","","","0.9903","","","","has coordinates","235752","2020-10-21","18:00:00",""
"4349704","11.604","0.002","15.736","0.002","10.479","0.003","90","","123.337","0.007","90","","1598.6","0.6","373","2","373","2","","","","","","","","5","C 1 2/m 1","-C 2y","12","","","","- C14 H8 Au Fe N7 -","- C14 H8 Au Fe N7 -","- C56 H32 Au4 Fe4 N28 -","4","0.5","","Yan, Zheng; Zhu, Long-Feng; Zhu, Lian-Wen; Meng, Yan; Hoque, Md. Najbul; Liu, Jun-Liang; Chen, Yan-Cong; Ni, Zhao-Ping; Tong, Ming-Liang","A ladder-type iron(ii) coordination polymer with enhanced spin-crossover behavior","Inorganic Chemistry Frontiers","2017","4","6","921","","10.1039/C7QI00180K","","","0.71073","MoKα","","0.0734","0.0422","","","0.0906","0.1153","","","","","","1.057","","","","has coordinates","235752","2020-10-21","18:00:00",""
"4349705","4.9516","0.0013","9.48","0.002","11.95","0.003","105.358","0.013","101.862","0.014","104.252","0.014","501.8","0.2","296","2","296","2","","","","","","","","4","P -1","-P 1","2","","","","- B4 Li6 O12 Zn3 -","- B4 Li6 O12 Zn3 -","- B8 Li12 O24 Zn6 -","2","1","","Chen, Yanna; An, Donghai; Zhang, Min; Hu, Cong; Mutailipu, Miriding; Yang, Zhihua; Lu, Xiaoquan; Pan, Shilie","Li6Zn3(BO3)4: a new zincoborate featuring vertex-, edge- and face-sharing LiO4tetrahedra and exhibiting reversible phase transitions","Inorganic Chemistry Frontiers","2017","4","7","1100","","10.1039/C7QI00183E","","","0.71073","MoKα","","0.0679","0.0463","","","0.1033","0.112","","","","","","1.046","","","","has coordinates","235753","2020-10-21","18:00:00",""
"4349706","11.9496","0.0006","14.1528","0.0007","16.1651","0.0009","105.71","0.005","94.36","0.004","90.901","0.004","2622.2","0.2","100","2","100","2","","","","","","","","6","P -1","-P 1","2","","","","- C21 H74 Gd N19 O24 P4 -","- C21 H50 Gd N19 O24 P4 -","- C42 H100 Gd2 N38 O48 P8 -","2","1","","Janicki, Rafał; Gałęzowska, Joanna; Mondry, Anna","Stoichiometry of lanthanide(iii) complexes with tripodal aminophosphonic ligands ‒ a new solution to an old problem","Inorganic Chemistry Frontiers","2017","4","7","1200","","10.1039/C7QI00191F","","","0.7107","MoKα","","0.188","0.1014","","","0.1484","0.1839","","","","","","1.05","","","","has coordinates","235754","2020-10-21","18:00:00",""
"4349707","11.9255","0.0011","14.1373","0.0012","16.1417","0.0015","105.889","0.008","94.515","0.007","90.629","0.007","2607.8","0.4","100","2","100","2","","","","","","","","6","P -1","-P 1","2","","","","- C21 H74 Eu N19 O24 P4 -","- C21 H50 Eu N19 O24 P4 -","- C42 H100 Eu2 N38 O48 P8 -","2","1","","Janicki, Rafał; Gałęzowska, Joanna; Mondry, Anna","Stoichiometry of lanthanide(iii) complexes with tripodal aminophosphonic ligands ‒ a new solution to an old problem","Inorganic Chemistry Frontiers","2017","4","7","1200","","10.1039/C7QI00191F","","","0.7107","MoKα","","0.0886","0.061","","","0.1341","0.1465","","","","","","1.153","","","","has coordinates","235754","2020-10-21","18:00:00",""
"4349708","12.8005","0.0004","35.9582","0.0013","14.4617","0.0004","90","","100.651","0.003","90","","6541.8","0.4","103","0","103","0","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C44 H102 Cr Mo6 N3 O26 -","- C44 H100 Cr Mo6 N3 O26 -","- C176 H400 Cr4 Mo24 N12 O104 -","4","1","","Zhang, Jiangwei; Huang, Yichao; Hao, Jian; Wei, Yongge","β-{Cr[RC(CH2O)3]2Mo6O18}3−: the first organically-functionalized β isomer of Anderson-type polyoxometalates","Inorganic Chemistry Frontiers","2017","4","7","1215","","10.1039/C7QI00199A","","","0.7107","MoKα","","0.0606","0.0585","","","0.1084","0.1095","","","","","","1.126","","","","has coordinates","235756","2020-10-21","18:00:00",""
"4349709","26.997","0.003","17.922","0.002","16.364","0.002","90","","109.86","0.014","90","","7446.7","1.6","293","2","293","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C8 H22 Cr Mo6 N3 O24 -","- C8 H22 Cr Mo6 N3 O24 -","- C64 H176 Cr8 Mo48 N24 O192 -","8","1","","Zhang, Jiangwei; Huang, Yichao; Hao, Jian; Wei, Yongge","β-{Cr[RC(CH2O)3]2Mo6O18}3−: the first organically-functionalized β isomer of Anderson-type polyoxometalates","Inorganic Chemistry Frontiers","2017","4","7","1215","","10.1039/C7QI00199A","","","0.71073","MoKα","","0.0547","0.0434","","","0.0882","0.0987","","","","","","1.083","","","","has coordinates","235756","2020-10-21","18:00:00",""
"4349710","14.4831","0.0014","14.7999","0.0015","27.189","0.003","95.424","0.002","93.193","0.002","109.314","0.002","5451.8","1","296","2","296.15","","","","","","","","","7","P -1","-P 1","2","","","","- C63 H112 Au K3 N8 O18 Pb12 -","- C62 H110 Au K3 N8 O18 Pb12 -","- C124 H220 Au2 K6 N16 O36 Pb24 -","2","1","","Li, Lei-Jiao; Pan, Fu-Xing; Li, Feng-Yu; Chen, Zhong-Fang; Sun, Zhong-Ming","Synthesis, characterization and electronic properties of an endohedral plumbaspherene [Au@Pb12]3−","Inorganic Chemistry Frontiers","2017","4","8","1393","","10.1039/C7QI00209B","","","0.71073","MoKα","","0.1447","0.0677","","","0.1715","0.2043","","","","","","0.964","","","","has coordinates,has disorder","235758","2020-10-21","18:00:00",""
"4349711","4.5669","0.0003","27.9366","0.0016","13.3819","0.0008","90","","90","","90","","1707.31","0.18","296","2","296","2","","","","","","","","4","C m c 21","C 2c -2","36","","","","- Ag6 Ba6 In2 Te12 -","- Ag6 Ba6 In2 Te12 -","- Ag12 Ba12 In4 Te24 -","2","0.25","","Lee, M.-Y.; Bilc, D. I.; Symeou, E.; Lin, Y.-C.; Liang, I.-C.; Kyratsi, T.; Hsu, K.-F.","Synthesis, crystal structure and thermoelectric properties of a new metal telluride Ba3Ag3InTe6","Inorganic Chemistry Frontiers","2017","4","9","1458","","10.1039/C7QI00210F","","","0.71073","MoKα","","0.0185","0.018","","","0.0362","0.0364","","","","","","1.044","","","","has coordinates","235760","2020-10-21","18:00:00",""
"4349712","17.908","0.002","17.908","0.002","10.94","0.0009","90","","90","","120","","3038.4","0.5","293","2","293","2","","","","","","","","4","R -3 :H","-R 3","148","","","","- C24 H37 Cd6 O30.5 -","- C24 H24 Cd6 O30.5 -","- C72 H72 Cd18 O91.5 -","3","0.166667","","Déniz, Mariadel; Pasán, Jorge; Rasines, Beatriz; Lorenzo-Luis, Pablo; Lahoz, Fernando; Vera-Gonzales, Corina; Julve, Miguel; Ruiz-Pérez, Catalina","Cadmium(ii) coordination polymers based on substituted malonic acid: synthesis, characterization and photoluminescence properties","Inorganic Chemistry Frontiers","2017","4","8","1384","","10.1039/C7QI00212B","","","0.71073","MoKα","","0.0382","0.036","","","0.0729","0.0735","","","","","","1.338","","","","has coordinates","235762","2020-10-21","18:00:00",""
"4349713","9.253","0.0019","7.874","0.0016","25.531","0.005","90","","90","","90","","1860.1","0.6","100","2","100","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","[Cd(Etmal)(H2O)]n","","","- C14 H24 Cd2 O10 -","- C14 H20 Cd2 O10 -","- C56 H80 Cd8 O40 -","4","0.5","","Déniz, Mariadel; Pasán, Jorge; Rasines, Beatriz; Lorenzo-Luis, Pablo; Lahoz, Fernando; Vera-Gonzales, Corina; Julve, Miguel; Ruiz-Pérez, Catalina","Cadmium(ii) coordination polymers based on substituted malonic acid: synthesis, characterization and photoluminescence properties","Inorganic Chemistry Frontiers","2017","4","8","1384","","10.1039/C7QI00212B","","","0.738","","","0.0409","0.0401","","","0.1091","0.11","","","","","","1.088","","","","has coordinates","235762","2020-10-21","18:00:00",""
"4349714","10.52","0.002","9.265","0.0019","7.896","0.0016","90","","104.74","0.03","90","","744.3","0.3","100","2","100","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C5 H8 Cd O5 -","- C5 H8 Cd O5 -","- C20 H32 Cd4 O20 -","4","1","","Déniz, Mariadel; Pasán, Jorge; Rasines, Beatriz; Lorenzo-Luis, Pablo; Lahoz, Fernando; Vera-Gonzales, Corina; Julve, Miguel; Ruiz-Pérez, Catalina","Cadmium(ii) coordination polymers based on substituted malonic acid: synthesis, characterization and photoluminescence properties","Inorganic Chemistry Frontiers","2017","4","8","1384","","10.1039/C7QI00212B","","","0.738","","","0.0447","0.0444","","","0.1239","0.1243","","","","","","1.103","","","","has coordinates","235762","2020-10-21","18:00:00",""
"4349715","9.3966","0.0001","7.8853","0.0001","29.851","0.0004","90","","90","","90","","2211.81","0.05","293","2","293","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C10 H10 Cd O5 -","- C10 H10 Cd O5 -","- C80 H80 Cd8 O40 -","8","1","","Déniz, Mariadel; Pasán, Jorge; Rasines, Beatriz; Lorenzo-Luis, Pablo; Lahoz, Fernando; Vera-Gonzales, Corina; Julve, Miguel; Ruiz-Pérez, Catalina","Cadmium(ii) coordination polymers based on substituted malonic acid: synthesis, characterization and photoluminescence properties","Inorganic Chemistry Frontiers","2017","4","8","1384","","10.1039/C7QI00212B","","x-ray","0.71073","MoKα","","0.0426","0.0363","","","0.0616","0.0633","","","","","","1.393","","","","has coordinates","235762","2020-10-21","18:00:00",""
"4349716","15.248","0.003","15.248","0.003","8.6679","0.0017","90","","90","","90","","2015.3","0.7","298","2","298","2","","","","","","","","6","P 4/n m m :2","-P 4a 2a","129","","","","- C12 H11 Cd Cl2 Co N10 -","- C12 H11 Cd Cl2 Co N10 -","- C48 H44 Cd4 Cl8 Co4 N40 -","4","0.25","","Liu, Yu-Ling; Zhang, Wen","Cation-templated cyanometallate-based supramolecular rectangular cage compounds showing dielectric transitions","Inorganic Chemistry Frontiers","2017","4","8","1304","","10.1039/C7QI00218A","","","0.71073","MoKα","","0.0783","0.0657","","","0.1667","0.1752","","","","","","1.09","","","","has coordinates","235765","2020-10-21","18:00:00",""
"4349717","15.325","0.002","15.325","0.002","8.6357","0.0017","90","","90","","90","","2028.1","0.5","298","2","298","2","","","","","","","","6","P 4/n m m :2","-P 4a 2a","129","","","","- C12 H11 Cd Cl2 Co N10 -","- C12 H11 Cd Cl2 Co N10 -","- C48 H44 Cd4 Cl8 Co4 N40 -","4","0.25","","Liu, Yu-Ling; Zhang, Wen","Cation-templated cyanometallate-based supramolecular rectangular cage compounds showing dielectric transitions","Inorganic Chemistry Frontiers","2017","4","8","1304","","10.1039/C7QI00218A","","","0.71073","MoKα","","0.0561","0.0517","","","0.1617","0.1665","","","","","","1.122","","","","has coordinates","235765","2020-10-21","18:00:00",""
"4349718","15.2436","0.0016","15.2436","0.0016","8.65","0.003","90","","90","","90","","2010","0.8","113","2","113","2","","","","","","","","6","P 4/n m m :2","-P 4a 2a","129","","","","- C12 H11 Cd Cl2 Co N10 -","- C12 H11 Cd Cl2 Co N10 -","- C48 H44 Cd4 Cl8 Co4 N40 -","4","0.25","","Liu, Yu-Ling; Zhang, Wen","Cation-templated cyanometallate-based supramolecular rectangular cage compounds showing dielectric transitions","Inorganic Chemistry Frontiers","2017","4","8","1304","","10.1039/C7QI00218A","","","0.71073","MoKα","","0.0744","0.0651","","","0.1825","0.2036","","","","","","1.159","","","","has coordinates","235765","2020-10-21","18:00:00",""
"4349719","15.186","0.007","15.186","0.007","8.659","0.006","90","","90","","90","","1996.9","1.9","113","2","113","2","","","","","","","","6","P 4/n m m :2","-P 4a 2a","129","","","","- C12 H11 Cd Cl2 Co N10 -","- C12 H11 Cd Cl2 Co N10 -","- C48 H44 Cd4 Cl8 Co4 N40 -","4","0.25","","Liu, Yu-Ling; Zhang, Wen","Cation-templated cyanometallate-based supramolecular rectangular cage compounds showing dielectric transitions","Inorganic Chemistry Frontiers","2017","4","8","1304","","10.1039/C7QI00218A","","","0.71073","MoKα","","0.0737","0.0666","","","0.1842","0.2042","","","","","","1.248","","","","has coordinates","235765","2020-10-21","18:00:00",""
"4349720","15.026","0.006","15.026","0.006","17.267","0.01","90","","90","","90","","3899","3","113","2","113","2","","","","","","","","7","P 4/n c c :2","-P 4a 2ac","130","","","","- C8 H11 Cd Cl2 Co N10 S2 -","- C8 H11 Cd Cl2 Co N10 S2 -","- C64 H88 Cd8 Cl16 Co8 N80 S16 -","8","0.5","","Liu, Yu-Ling; Zhang, Wen","Cation-templated cyanometallate-based supramolecular rectangular cage compounds showing dielectric transitions","Inorganic Chemistry Frontiers","2017","4","8","1304","","10.1039/C7QI00218A","","","0.71073","MoKα","","0.1389","0.1381","","","0.2312","0.2315","","","","","","1.175","","","","has coordinates","235765","2020-10-21","18:00:00",""
"4349721","15.078","0.002","15.078","0.002","8.593","0.0017","90","","90","","90","","1953.6","0.5","298","2","298","2","","","","","","","","6","P 4/n m m :2","-P 4a 2a","129","","","","- C8 H13 Cd Cl2 Co N12 -","- C8 H13 Cd Cl2 Co N12 -","- C32 H52 Cd4 Cl8 Co4 N48 -","4","0.25","","Liu, Yu-Ling; Zhang, Wen","Cation-templated cyanometallate-based supramolecular rectangular cage compounds showing dielectric transitions","Inorganic Chemistry Frontiers","2017","4","8","1304","","10.1039/C7QI00218A","","","0.71073","MoKα","","0.0531","0.0469","","","0.1149","0.1187","","","","","","1.047","","","","has coordinates","235765","2020-10-21","18:00:00",""
"4349722","15.2789","0.0013","15.2789","0.0013","8.65","0.004","90","","90","","90","","2019.3","1","183","2","183","2","","","","","","","","6","P 4/n m m :2","-P 4a 2a","129","","","","- C12 H11 Cd Cl2 Co N10 -","- C12 H11 Cd Cl2 Co N10 -","- C48 H44 Cd4 Cl8 Co4 N40 -","4","0.25","","Liu, Yu-Ling; Zhang, Wen","Cation-templated cyanometallate-based supramolecular rectangular cage compounds showing dielectric transitions","Inorganic Chemistry Frontiers","2017","4","8","1304","","10.1039/C7QI00218A","","","0.71073","MoKα","","0.051","0.0489","","","0.1303","0.132","","","","","","1.204","","","","has coordinates","235765","2020-10-21","18:00:00",""
"4349723","14.954","0.006","14.954","0.006","8.566","0.005","90","","90","","90","","1915.5","1.6","113","2","113","2","","","","","","","","6","P 4/n m m :2","-P 4a 2a","129","","","","- C8 H13 Cd Cl2 Co N12 -","- C8 H13 Cd Cl2 Co N12 -","- C32 H52 Cd4 Cl8 Co4 N48 -","4","0.25","","Liu, Yu-Ling; Zhang, Wen","Cation-templated cyanometallate-based supramolecular rectangular cage compounds showing dielectric transitions","Inorganic Chemistry Frontiers","2017","4","8","1304","","10.1039/C7QI00218A","","","0.71073","MoKα","","0.0663","0.0624","","","0.1454","0.1479","","","","","","1.119","","","","has coordinates","235765","2020-10-21","18:00:00",""
"4349724","15.0723","0.0016","15.0723","0.0016","8.6294","0.0009","90","","90","","90","","1960.4","0.4","273","2","273","2","","","","","","","","7","P 4/n m m :2","-P 4a 2a","129","","","","- C8 H11 Cd Cl2 Co N10 S2 -","- C8 H11 Cd Cl2 Co N10 S2 -","- C32 H44 Cd4 Cl8 Co4 N40 S8 -","4","0.25","","Liu, Yu-Ling; Zhang, Wen","Cation-templated cyanometallate-based supramolecular rectangular cage compounds showing dielectric transitions","Inorganic Chemistry Frontiers","2017","4","8","1304","","10.1039/C7QI00218A","","","0.71073","MoKα","","0.0962","0.0943","","","0.2432","0.2447","","","","","","1.078","","","","has coordinates","235765","2020-10-21","18:00:00",""
"4349725","10.2403","0.001","10.2403","0.001","20.772","0.0019","90","","90","","120","","1886.4","0.3","298","","299.65","","","","","","","","","3","P -6 c 2","P -6c 2","188","","Ba9Sn3Te15","","- Ba9 Sn2.94 Te15 -","- Ba9 Sn2.928 Te14.978 -","- Ba18 Sn5.856 Te29.956 -","2","0.166667","","Zhang, Jun; Su, Rui; Wang, Xiancheng; Li, Wenmin; Zhao, Jianfa; Deng, Zheng; Zhang, Sijia; Feng, Shaomin; Liu, Qingqing; Zhao, Huaizhou; Guan, Pengfei; Jin, Changqing","Synthesis, crystal structures, and electronic properties of one dimensional Ba9Sn3(Te1−xSex)15 (x = 0‒1)","Inorganic Chemistry Frontiers","2017","4","8","1337","","10.1039/C7QI00219J","","","0.71073","MoKα","","0.0284","0.0265","","","0.0558","0.0566","","","","","","1.188","","","","has coordinates,has disorder","235768","2020-10-21","18:00:00",""
"4349726","10.4132","0.0007","12.4976","0.0007","19.8741","0.0012","92.846","0.002","98.463","0.002","109.273","0.002","2401.5","0.3","150","2","149.99","","","","","","","","","6","P -1","-P 1","2","","","","- C45 H39 Dy N12 O5 S4 -","- C45 H39 Dy N12 O5 S4 -","- C90 H78 Dy2 N24 O10 S8 -","2","1","","Wang, Long-Fei; Qiu, Jiang-Zhen; Chen, Yan-Cong; Liu, Jun-Liang; Li, Quan-Wen; Jia, Jian-Hua; Tong, Ming-Liang","[2 + 2] Photochemical modulation of the Dy(iii) single-molecule magnet: opposite influence on the energy barrier and relaxation time","Inorganic Chemistry Frontiers","2017","4","8","1311","","10.1039/C7QI00221A","","","0.71073","MoKα","","0.0481","0.0408","","","0.0895","0.0925","","","","","","1.059","","","","has coordinates,has disorder","235770","2020-10-21","18:00:00",""
"4349727","10.196","0.003","13.238","0.004","19.296","0.006","92.928","0.009","101.037","0.009","110.598","0.008","2372.9","1.3","150","2","149.99","","","","","","","","","6","P -1","-P 1","2","","","","- C90 H78 Dy2 N24 O10 S8 -","- C90 H78 Dy2 N24 O10 S8 -","- C90 H78 Dy2 N24 O10 S8 -","1","0.5","","Wang, Long-Fei; Qiu, Jiang-Zhen; Chen, Yan-Cong; Liu, Jun-Liang; Li, Quan-Wen; Jia, Jian-Hua; Tong, Ming-Liang","[2 + 2] Photochemical modulation of the Dy(iii) single-molecule magnet: opposite influence on the energy barrier and relaxation time","Inorganic Chemistry Frontiers","2017","4","8","1311","","10.1039/C7QI00221A","","","0.71073","MoKα","","0.0452","0.0365","","","0.0812","0.0848","","","","","","1.048","","","","has coordinates,has disorder","235770","2020-10-21","18:00:00",""
"4349728","17.5405","0.0004","21.767","0.0004","7.47911","0.00014","90","","90","","90","","2855.55","0.1","100","2","100","2","","","","","","","","5","A e a 2","A 2 -2ab","41","","","","- C4 H16 Bi Cl5 N2 -","- C4 H16 Bi Cl5 N2 -","- C32 H128 Bi8 Cl40 N16 -","8","1","","Piecha-Bisiorek, Anna; Gągor, Anna; Jakubas, Ryszard; Ciżman, Agnieszka; Janicki, Rafał; Medycki, Wojciech","Ferroelectricity in bis(ethylammonium) pentachlorobismuthate(iii): synthesis, structure, polar and spectroscopic properties","Inorganic Chemistry Frontiers","2017","4","8","1281","","10.1039/C7QI00254H","","","0.7107","MoKα","","0.0412","0.0388","","","0.1086","0.1113","","","","","","1.106","","","","has coordinates,has disorder","235772","2020-10-21","18:00:00",""
"4349729","17.8318","0.0002","21.9673","0.0008","7.5656","0.0004","90","","90","","90","","2963.57","0.19","295","2","295","2","","","","","","","","5","A e a m","-A 2 2ab","64","","","","- C4 H16 Bi Cl5 N2 -","- C4 H16 Bi Cl5 N2 -","- C32 H128 Bi8 Cl40 N16 -","8","0.5","","Piecha-Bisiorek, Anna; Gągor, Anna; Jakubas, Ryszard; Ciżman, Agnieszka; Janicki, Rafał; Medycki, Wojciech","Ferroelectricity in bis(ethylammonium) pentachlorobismuthate(iii): synthesis, structure, polar and spectroscopic properties","Inorganic Chemistry Frontiers","2017","4","8","1281","","10.1039/C7QI00254H","","x-ray","0.71073","MoKα","","0.0349","0.0271","","","0.0652","0.0686","","","","","","1.117","","","","has coordinates","235772","2020-10-21","18:00:00",""
"4349730","7.45","0.03","33.85","0.17","7.42","0.04","90","","90","","90","","1871","16","203","2","203","2","","","","","","","","5","A e a 2","A 2 -2ab","41","","","","- C10 H28 Cd Cl4 N2 -","- C10 H28 Cd Cl4 N2 -","- C40 H112 Cd4 Cl16 N8 -","4","0.5","","Wang, Zhongxia; Lv, Xing-Hui; Liu, Yu-Ling; Lu, Yang; Chen, Hai-Peng; Ge, Jia-Zhen","Prominent dielectric transitions in layered organic‒inorganic hybrids: (isoamyl-ammonium)2CdX4 (X = Cl and Br)","Inorganic Chemistry Frontiers","2017","4","8","1330","","10.1039/C7QI00270J","","","0.71073","MoKα","","0.1007","0.0969","","","0.2409","0.2494","","","","","","1.182","","","","has coordinates","235774","2020-10-21","18:00:00",""
"4349731","7.5775","0.0015","33.673","0.007","7.65","0.0015","90","","90","","90","","1952","0.7","298","2","298","2","","","","","","","","5","C m c e","-C 2ac 2","64","","","","- C10 H28 Cd Cl4 N2 -","- C10 H28 Cd Cl4 N2 -","- C40 H112 Cd4 Cl16 N8 -","4","0.25","","Wang, Zhongxia; Lv, Xing-Hui; Liu, Yu-Ling; Lu, Yang; Chen, Hai-Peng; Ge, Jia-Zhen","Prominent dielectric transitions in layered organic‒inorganic hybrids: (isoamyl-ammonium)2CdX4 (X = Cl and Br)","Inorganic Chemistry Frontiers","2017","4","8","1330","","10.1039/C7QI00270J","","","0.71073","MoKα","","0.0597","0.048","","","0.1205","0.1262","","","","","","1.132","","","","has coordinates","235774","2020-10-21","18:00:00",""
"4349732","8.0554","0.001","33.2382","0.0009","8.0623","0.0005","90","","90","","90","","2158.7","0.3","298","2","298","2","","","","","","","","5","C m c e","-C 2ac 2","64","","","","- C10 H28 Br4 Cd N2 -","- C10 H28 Br4 Cd N2 -","- C40 H112 Br16 Cd4 N8 -","4","0.25","","Wang, Zhongxia; Lv, Xing-Hui; Liu, Yu-Ling; Lu, Yang; Chen, Hai-Peng; Ge, Jia-Zhen","Prominent dielectric transitions in layered organic‒inorganic hybrids: (isoamyl-ammonium)2CdX4 (X = Cl and Br)","Inorganic Chemistry Frontiers","2017","4","8","1330","","10.1039/C7QI00270J","","","0.71073","MoKα","","0.1449","0.1074","","","0.2686","0.3026","","","","","","1.127","","","","has coordinates","235774","2020-10-21","18:00:00",""
"4349733","31.5688","0.0007","30.9664","0.0006","22.783","0.0004","90","","98.981","0.002","90","","21999","0.8","150","2","293","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C148 H122 N9 O80 P9 Pb9 -","- C148 H114 N9 O80 P9 Pb9 -","- C592 H456 N36 O320 P36 Pb36 -","4","0.5","","Bai, Dongjie; Chen, Fengli; Jiang, Donghao; He, Yabing","A rare Pb9 cluster-organic framework constructed from a flexible cyclotriphosphazene-functionalized hexacarboxylate exhibiting selective gas separation","Inorganic Chemistry Frontiers","2017","4","9","1501","","10.1039/C7QI00289K","","","0.71073","MoKα","","0.1073","0.0999","","","0.29","0.3133","","","","","","1.019","","","","has coordinates","235776","2020-10-21","18:00:00",""
"4349739","10.411","0.002","13.112","0.003","10.711","0.002","90","","90","","90","","1462.1","0.5","293","2","293","2","","","","","","","","6","P m c n","-P 2n 2a","62","","","","- C7 Cd N3 O P S3 -","- C7 Cd N3 O P S3 -","- C28 Cd4 N12 O4 P4 S12 -","4","0.5","","Zheng, Xuan; Shi, Ping-Ping; Lu, Yang; Zhou, Lin; Gao, Ji-Xing; Geng, Fu-Juan; Wu, De-Hong; Fu, Da-Wei; Ye, Qiong","Dielectric and nonlinear optical dual switching in an organic‒inorganic hybrid relaxor [(CH3)3PCH2OH][Cd(SCN)3]","Inorganic Chemistry Frontiers","2017","4","9","1445","","10.1039/C7QI00300E","","","0.71073","MoKα","","0.0492","0.0436","","","0.1158","0.1192","","","","","","1.165","","","","has coordinates,has disorder","235780","2020-10-21","18:00:00",""
"4349740","10.395","0.006","13.176","0.007","10.742","0.004","90","","92.12","0.04","90","","1470.3","1.3","213","2","213","2","","","","","","","","7","P 1 21 1","P 2yb","4","","","","- C14 H24 Cd2 N6 O2 P2 S6 -","- C14 H24 Cd2 N6 O2 P2 S6 -","- C28 H48 Cd4 N12 O4 P4 S12 -","2","1","","Zheng, Xuan; Shi, Ping-Ping; Lu, Yang; Zhou, Lin; Gao, Ji-Xing; Geng, Fu-Juan; Wu, De-Hong; Fu, Da-Wei; Ye, Qiong","Dielectric and nonlinear optical dual switching in an organic‒inorganic hybrid relaxor [(CH3)3PCH2OH][Cd(SCN)3]","Inorganic Chemistry Frontiers","2017","4","9","1445","","10.1039/C7QI00300E","","","0.71073","MoKα","","0.1377","0.098","","","0.2511","0.2945","","","","","","1.077","","","","has coordinates","235780","2020-10-21","18:00:00",""
"4349741","14.8934","0.001","6.7188","0.0003","9.9423","0.0005","90","","90","","90","","994.88","0.09","280","2","280","2","","","","","","","","5","P n m a","-P 2ac 2n","62","N-methylpyrrolidinium cadmium trichloride","","","- C5 H12 Cd Cl3 N -","- C5 H12 Cd Cl3 N -","- C20 H48 Cd4 Cl12 N4 -","4","0.5","","Zeb, Aurang; Sun, Zhihua; Khan, Tariq; Asghar, Muhammad Adnan; Wu, Zhenyue; Li, Lina; Ji, Chengmin; Luo, Junhua","[C5H12N]CdCl3: an ABX3 perovskite-type semiconducting switchable dielectric phase transition material","Inorganic Chemistry Frontiers","2017","4","9","1485","","10.1039/C7QI00301C","","","0.71073","MoKα","","0.0444","0.032","","","0.0693","0.0777","","","","","","1.043","","","","has coordinates,has disorder","235782","2020-10-21","18:00:00",""
"4349742","6.6875","0.0004","10.0809","0.0005","14.5347","0.001","90","","92.298","0.005","90","","979.08","0.1","230","2","230","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","N-methylpyrrolidinium cadmium trichloride [NMPCC]","","","- C5 H12 Cd Cl3 N -","- C5 H12 Cd Cl3 N -","- C20 H48 Cd4 Cl12 N4 -","4","1","","Zeb, Aurang; Sun, Zhihua; Khan, Tariq; Asghar, Muhammad Adnan; Wu, Zhenyue; Li, Lina; Ji, Chengmin; Luo, Junhua","[C5H12N]CdCl3: an ABX3 perovskite-type semiconducting switchable dielectric phase transition material","Inorganic Chemistry Frontiers","2017","4","9","1485","","10.1039/C7QI00301C","","","1.54184","CuKα","","0.1053","0.0961","","","0.2612","0.268","","","","","","1.177","","","","has coordinates","235782","2020-10-21","18:00:00",""
"4349743","13.9117","0.0002","18.298","0.0003","32.78","0.0006","90","","90","","90","","8344.4","0.2","100","","100","","","","","","","","","7","F m 2 m","F -2 -2","42","","","","- C9 H15 F Ge6.11 N O13.75 Si0.64 -","- C9 H15 F1.00002 Ge6.11263 N O13.75 Si0.63785 -","- C144 H240 F16.0004 Ge97.802 N16 O220 Si10.2056 -","16","1","","Wang, Yilin; Wang, Yunchen; Su, Jie; Song, Xiaowei; Wan, Wei; Yu, Jihong","Interrupted silicogermanate with 10-ring channels: synthesis and structure determination by combining rotation electron diffraction and powder X-ray diffraction","Inorganic Chemistry Frontiers","2017","4","10","1654","","10.1039/C7QI00309A","powder diffraction","x-ray","0.459255","synchrotron","","","","","","","","","0.04481","2.825","","","","","","","has coordinates","235784","2020-10-21","18:00:00",""
"4349744","12.102","0.002","12.703","0.003","10.068","0.002","90","","90","","90","","1547.8","0.5","293","2","293","2","","","","","","","","4","P n n m","-P 2 2n","58","","","","- H36 K6 Nb6 O36 -","- K6 Nb6 O36 -","- K12 Nb12 O72 -","2","0.25","","Zhang, Ting-Ting; Zhang, Xiao; Lü, Ying; Li, Guo-Dong; Xiao, Li-Na; Cui, Xiao-Bing; Xu, Ji-Qing","New organic‒inorganic hybrid compounds based on [SiNb12V2O42]12− with high catalytic activity for styrene epoxidation","Inorganic Chemistry Frontiers","2017","4","8","1397","","10.1039/C7QI00318H","","","0.71073","MoKα","","0.0561","0.0544","","","0.1808","0.1818","","","","","","1.055","","","","has coordinates","235786","2020-10-21","18:00:00",""
"4349745","14.5357","0.0004","14.5357","0.0004","22.999","0.002","90","","90","","90","","4859.4","0.5","293","2","293","2","","","","","","","","8","P 4/m n c","-P 4 2n","128","","","","- C24 H112 Cu6 N24 Nb12 O50 Si V2 -","- C24 H64 Cu6 N24 Nb12 O50 Si V2 -","- C48 H128 Cu12 N48 Nb24 O100 Si2 V4 -","2","0.125","","Zhang, Ting-Ting; Zhang, Xiao; Lü, Ying; Li, Guo-Dong; Xiao, Li-Na; Cui, Xiao-Bing; Xu, Ji-Qing","New organic‒inorganic hybrid compounds based on [SiNb12V2O42]12− with high catalytic activity for styrene epoxidation","Inorganic Chemistry Frontiers","2017","4","8","1397","","10.1039/C7QI00318H","","","0.71073","MoKα","","0.134","0.0994","","","0.2499","0.2746","","","","","","1.062","","","","has coordinates","235786","2020-10-21","18:00:00",""
"4349746","23.2503","0.0007","20.5402","0.0006","20.6527","0.0007","90","","94.742","0.003","90","","9829.3","0.5","293","2","293","2","","","","","","","","8","C 1 2/c 1","-C 2yc","15","","","","- C24 H138 Cu6 N24 Nb12 O63 Si V2 -","- C24 H96 Cu6 N24 Nb12 O63 Si V2 -","- C96 H384 Cu24 N96 Nb48 O252 Si4 V8 -","4","0.5","","Zhang, Ting-Ting; Zhang, Xiao; Lü, Ying; Li, Guo-Dong; Xiao, Li-Na; Cui, Xiao-Bing; Xu, Ji-Qing","New organic‒inorganic hybrid compounds based on [SiNb12V2O42]12− with high catalytic activity for styrene epoxidation","Inorganic Chemistry Frontiers","2017","4","8","1397","","10.1039/C7QI00318H","","","0.71073","MoKα","","0.0892","0.0801","","","0.159","0.1648","","","","","","1.033","","","","has coordinates","235786","2020-10-21","18:00:00",""
"4349747","14.8976","0.0005","20.6011","0.0008","16.2057","0.0006","90","","96.757","0.003","90","","4939.1","0.3","293","2","293","2","","","","","","","","8","I 1 2/m 1","-I 2y","12","","","","- C24 H132 Cu6 N24 Nb12 O60 Si V2 -","- C24 H72 Cu6 N24 Nb12 O60 Si V2 -","- C48 H144 Cu12 N48 Nb24 O120 Si2 V4 -","2","0.25","","Zhang, Ting-Ting; Zhang, Xiao; Lü, Ying; Li, Guo-Dong; Xiao, Li-Na; Cui, Xiao-Bing; Xu, Ji-Qing","New organic‒inorganic hybrid compounds based on [SiNb12V2O42]12− with high catalytic activity for styrene epoxidation","Inorganic Chemistry Frontiers","2017","4","8","1397","","10.1039/C7QI00318H","","","0.71073","MoKα","","0.0686","0.0602","","","0.1531","0.1604","","","","","","1.096","","","","has coordinates","235786","2020-10-21","18:00:00",""
"4349748","8.2425","0.0002","15.2469","0.0004","23.4816","0.0006","90","","90","","90","","2950.99","0.13","150","2","150","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C20 H35 Cu2 N9 O11 -","- C20 H35 Cu2 N9 O11 -","- C80 H140 Cu8 N36 O44 -","4","1","","Radi, Smaail; El Massaoudi, Mohamed; Bacquet, Maryse; Degoutin, Stéphanie; Adarsh, N. N.; Robeyns, Koen; Garcia, Yann","A novel environment-friendly hybrid material based on a modified silica gel with a bispyrazole derivative for the removal of ZnII, PbII, CdII and CuII traces from aqueous solutions","Inorganic Chemistry Frontiers","2017","4","11","1821","","10.1039/C7QI00322F","","","0.71073","MoKα","","0.0687","0.0492","","","0.0958","0.1034","","","","","","1.034","","","","has coordinates","235788","2020-10-21","18:00:00",""
"4349749","20.79","0.009","17.444","0.007","7.132","0.003","90","","108.868","0.014","90","","2447.5","1.8","293","2","293","2","","","","","","","","7","C 1 m 1","C -2y","8","","","","- C18 H19 Ag F6 N3 O2 Sb -","- C18 H14 Ag F6 N3 O2 Sb -","- C72 H56 Ag4 F24 N12 O8 Sb4 -","4","1","","Das, Debarati; Biradha, Kumar","Metal‒organic gels of silver salts with an α,β-unsaturated ketone: the influence of anions and solvents on gelation","Inorganic Chemistry Frontiers","2017","4","8","1365","","10.1039/C7QI00328E","","","0.71073","MoKα","","0.1442","0.0788","","","0.1699","0.1954","","","","","","1.011","","","","has coordinates","235791","2020-10-21","18:00:00",""
"4349750","17.195","0.01","14.045","0.008","16.461","0.01","90","","117.639","0.016","90","","3522","4","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C36 H34 Ag2 N8 O8 -","- C36 H34 Ag2 N8 O8 -","- C144 H136 Ag8 N32 O32 -","4","1","","Das, Debarati; Biradha, Kumar","Metal‒organic gels of silver salts with an α,β-unsaturated ketone: the influence of anions and solvents on gelation","Inorganic Chemistry Frontiers","2017","4","8","1365","","10.1039/C7QI00328E","","","0.71073","MoKα","","0.142","0.0791","","","0.1825","0.2054","","","","","","1.065","","","","has coordinates","235791","2020-10-21","18:00:00",""
"4349753","41.29","0.009","8.0448","0.0015","17.843","0.004","90","","108.946","0.014","90","","5606","2","100","2","100","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C24 H22 Cl2 Fe N10 O8 -","- C24 H22 Cl2 Fe N10 O8 -","- C192 H176 Cl16 Fe8 N80 O64 -","8","1","","Bartual-Murgui, C.; Vela, S.; Darawsheh, M.; Diego, R.; Teat, S. J.; Roubeau, O.; Aromí, G.","A probe of steric ligand substituent effects on the spin crossover of Fe(ii) complexes","Inorganic Chemistry Frontiers","2017","4","8","1374","","10.1039/C7QI00347A","","","0.71073","MoKα","","0.12","0.07","","","0.1355","0.1553","","","","","","1.059","","","","has coordinates","235796","2020-10-21","18:00:00",""
"4349754","11.916","0.006","11.884","0.006","19.902","0.015","90","","98.552","0.013","90","","2787","3","100","2","100","2","","","","","","","","6","C 1 c 1","C -2yc","9","","","","- C24 H24 Cl2 Fe N10 O9 -","- C24 H22 Cl2 Fe N10 O9 -","- C96 H88 Cl8 Fe4 N40 O36 -","4","1","","Bartual-Murgui, C.; Vela, S.; Darawsheh, M.; Diego, R.; Teat, S. J.; Roubeau, O.; Aromí, G.","A probe of steric ligand substituent effects on the spin crossover of Fe(ii) complexes","Inorganic Chemistry Frontiers","2017","4","8","1374","","10.1039/C7QI00347A","","","0.7749","synchrotron","","0.1474","0.138","","","0.3254","0.3337","","","","","","1.015","","","","has coordinates","235796","2020-10-21","18:00:00",""
"4349755","8.326","0.0005","38.469","0.0019","9.613","0.0005","90","","95.768","0.003","90","","3063.4","0.3","298","2","298","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C26 H26 Cl2 Fe N10 O8 -","- C26 H26 Cl2 Fe N10 O8 -","- C104 H104 Cl8 Fe4 N40 O32 -","4","1","","Bartual-Murgui, C.; Vela, S.; Darawsheh, M.; Diego, R.; Teat, S. J.; Roubeau, O.; Aromí, G.","A probe of steric ligand substituent effects on the spin crossover of Fe(ii) complexes","Inorganic Chemistry Frontiers","2017","4","8","1374","","10.1039/C7QI00347A","","","0.71073","MoKα","","0.1004","0.0591","","","0.1483","0.1749","","","","","","1.019","","","","has coordinates,has disorder","235796","2020-10-21","18:00:00",""
"4349756","42.2075","0.0012","8.1769","0.0003","18.2952","0.0005","90","","111.307","0.002","90","","5882.6","0.3","300","2","300","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C24 H22 Cl2 Fe N10 O8 -","- C24 H22 Cl2 Fe N10 O8 -","- C192 H176 Cl16 Fe8 N80 O64 -","8","1","","Bartual-Murgui, C.; Vela, S.; Darawsheh, M.; Diego, R.; Teat, S. J.; Roubeau, O.; Aromí, G.","A probe of steric ligand substituent effects on the spin crossover of Fe(ii) complexes","Inorganic Chemistry Frontiers","2017","4","8","1374","","10.1039/C7QI00347A","","","0.71073","MoKα","","0.0838","0.0579","","","0.161","0.1806","","","","","","1.051","","","","has coordinates","235796","2020-10-21","18:00:00",""
"4349757","8.2654","0.0003","37.8383","0.0012","9.5096","0.0003","90","","96.203","0.002","90","","2956.7","0.17","100","2","100","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C26 H26 Cl2 Fe N10 O8 -","- C26 H26 Cl2 Fe N10 O8 -","- C104 H104 Cl8 Fe4 N40 O32 -","4","1","","Bartual-Murgui, C.; Vela, S.; Darawsheh, M.; Diego, R.; Teat, S. J.; Roubeau, O.; Aromí, G.","A probe of steric ligand substituent effects on the spin crossover of Fe(ii) complexes","Inorganic Chemistry Frontiers","2017","4","8","1374","","10.1039/C7QI00347A","","","0.71073","MoKα","","0.0669","0.0462","","","0.0969","0.1066","","","","","","1.031","","","","has coordinates","235796","2020-10-21","18:00:00",""
"4349758","17.7506","0.0005","17.7506","0.0005","22.4863","0.0007","90","","90","","90","","7085.1","0.4","93","2","93","2","","","","","","","","7","I 4/m","-I 4","87","","VNU-17","","- C24 H8 I0 N0 O22.12 S2 Zr3 -","- C24 H8 O22.12 S2 Zr3 -","- C96 H32 O88.48 S8 Zr12 -","4","0.25","","Lo, Tien H. N.; Nguyen, My V.; Tu, Thach N.","An anchoring strategy leads to enhanced proton conductivity in a new metal‒organic framework","Inorganic Chemistry Frontiers","2017","4","9","1509","","10.1039/C7QI00350A","","","1.54178","CuKα","","0.1583","0.1196","","","0.2832","0.3062","","","","","","1.06","","","","has coordinates","235799","2020-10-21","18:00:00",""
"4349759","13.9091","0.0007","18.0464","0.0009","16.7575","0.0008","90","","113.296","0.002","90","","3863.4","0.3","100","2","100","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","[(PZ5Me2)Co(OH2)](OTf)2","aqua(2,6-bis(1,1-bis(2-pyrazyl)ethyl)pyrazine)cobalt(II) trifluoromethanesulfonate","","- C32 H31 Co F6 N13 O7 S2 -","- C32 H31 Co F6 N13 O7 S2 -","- C128 H124 Co4 F24 N52 O28 S8 -","4","1","","Chen, Lizhu; Khadivi, Amir; Singh, Manpreet; Jurss, Jonah W.","Synthesis of a pentadentate, polypyrazine ligand and its application in cobalt-catalyzed hydrogen production","Inorganic Chemistry Frontiers","2017","4","10","1649","","10.1039/C7QI00362E","","","1.54178","CuKα","","0.0747","0.0671","","","0.182","0.1854","","","","","","1.154","","","","has coordinates","235801","2020-10-21","18:00:00",""
"4349760","10.529","0.0005","11.8506","0.0004","12.667","0.0005","92.344","0.003","100.789","0.004","103.221","0.003","1505.63","0.11","180","2","180","2","","","","","","","","7","P -1","-P 1","2","","","","- C29.5 H9 Cl3 F13 N4 O Zn0.5 -","- C29.5 H9 Cl3 F13 N4 O Zn0.5 -","- C59 H18 Cl6 F26 N8 O2 Zn -","2","1","","Hu, Ji-Yun; Wu, Zhuo-Yan; Chai, Ke; Yang, Zi-Shu; Meng, Yin-Shan; Ning, Yingying; Zhang, Jing; Zhang, Jun-Long","β-Fluorinated porpholactones and metal complexes: synthesis, characterization and some spectroscopic studies","Inorganic Chemistry Frontiers","2017","4","9","1539","","10.1039/C7QI00375G","","","0.71","MoKα","","0.1082","0.0875","","","0.2409","0.2603","","","","","","1.137","","","","has coordinates,has disorder","235804","2020-10-21","18:00:00",""
"4349761","15.8764","0.0005","19.4336","0.0005","22.97","0.0006","90","","90","","90","","7087.1","0.3","180","2","180","2","","","","","","","","10","C m c m","-C 2c 2","63","","","","- C55 H11 Cl2 Co D18 F20 N4 O11 P3 Yb -","- C55 H11 Cl2 Co D18 F20 N4 O11 P3 Yb -","- C220 H44 Cl8 Co4 D72 F80 N16 O44 P12 Yb4 -","4","0.25","","Hu, Ji-Yun; Wu, Zhuo-Yan; Chai, Ke; Yang, Zi-Shu; Meng, Yin-Shan; Ning, Yingying; Zhang, Jing; Zhang, Jun-Long","β-Fluorinated porpholactones and metal complexes: synthesis, characterization and some spectroscopic studies","Inorganic Chemistry Frontiers","2017","4","9","1539","","10.1039/C7QI00375G","","","0.71073","MoKα","","0.0411","0.0347","","","0.0997","0.1057","","","","","","1.112","","","","has coordinates,has disorder","235804","2020-10-21","18:00:00",""
"4349762","24.4325","0.0006","10.159","0.0002","24.4872","0.0006","90","","92.014","0.002","90","","6074.2","0.2","180","0.1","180","0.1","","","","","","","","9","C 1 c 1","C -2yc","9","","","","- C54 H5 Co D18 F26 N4 O11 P3 Yb -","- C54 H5 Co D18 F26 N4 O11 P3 Yb -","- C216 H20 Co4 D72 F104 N16 O44 P12 Yb4 -","4","1","","Hu, Ji-Yun; Wu, Zhuo-Yan; Chai, Ke; Yang, Zi-Shu; Meng, Yin-Shan; Ning, Yingying; Zhang, Jing; Zhang, Jun-Long","β-Fluorinated porpholactones and metal complexes: synthesis, characterization and some spectroscopic studies","Inorganic Chemistry Frontiers","2017","4","9","1539","","10.1039/C7QI00375G","","x-ray","0.71073","MoKα","","0.0537","0.0397","","","0.0914","0.1013","","","","","","1.061","","","","has coordinates","235804","2020-10-21","18:00:00",""
"4349763","10.671","0.004","11.165","0.004","11.549","0.005","84.587","0.011","65.074","0.011","79.68","0.02","1227.3","0.8","100","2","100","2","","","","","","","","6","P -1","-P 1","2","","","","- C26 H21.48 Br Mn N5 O3.24 -","- C26 H21.464 Br Mn N5 O3.232 -","- C52 H42.928 Br2 Mn2 N10 O6.464 -","2","1","","Mansour, Ahmed M.; Friedrich, Alexandra","The CO release properties of κ2N1,N2Mn(i) tricarbonyl photoCORMs with tridentate benzimidazole coligands","Inorganic Chemistry Frontiers","2017","4","9","1517","","10.1039/C7QI00390K","","","0.71073","MoKα","","0.0282","0.0248","","","0.0649","0.0665","","","","","","1.057","","","","has coordinates,has disorder","235807","2020-10-21","18:00:00",""
"4349764","28.855","0.011","6.95","0.003","25.152","0.009","90","","106.66","0.03","90","","4832","3","100","2","100","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C25 H19 Br Mn N5 O4 -","- C25 H19 Br Mn N5 O4 -","- C200 H152 Br8 Mn8 N40 O32 -","8","1","","Mansour, Ahmed M.; Friedrich, Alexandra","The CO release properties of κ2N1,N2Mn(i) tricarbonyl photoCORMs with tridentate benzimidazole coligands","Inorganic Chemistry Frontiers","2017","4","9","1517","","10.1039/C7QI00390K","","","0.71073","MoKα","","0.0411","0.0332","","","0.0825","0.0866","","","","","","1.03","","","","has coordinates","235807","2020-10-21","18:00:00",""
"4349765","13.2768","0.0004","11.5328","0.0003","35.204","0.0009","90","","98.806","0.001","90","","5326.8","0.3","150","2","150","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","Dy2L4","","- C48 H56 Dy2 N8 O15 -","- C48 H56 Dy2 N8 O15 -","- C192 H224 Dy8 N32 O60 -","4","1","","Lyu, Deng-Ping; Zheng, Jie-Yu; Li, Quan-Wen; Liu, Jun-Liang; Chen, Yan-Cong; Jia, Jian-Hua; Tong, Ming-Liang","Construction of lanthanide single-molecule magnets with the “magnetic motif” [Dy(MQ)4]−","Inorganic Chemistry Frontiers","2017","4","11","1776","","10.1039/C7QI00393E","","","0.71073","MoKα","","0.0537","0.0439","","","0.1088","0.1141","","","","","","1.032","","","","has coordinates","235809","2020-10-21","18:00:00",""
"4349766","15.7278","0.0005","27.8929","0.001","15.8319","0.0006","90","","94.061","0.001","90","","6927.9","0.4","120","2","120","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","Dy3L8","","- C80 H64 Dy3 N9 O11 -","- C80 H64 Dy3 N9 O11 -","- C320 H256 Dy12 N36 O44 -","4","1","","Lyu, Deng-Ping; Zheng, Jie-Yu; Li, Quan-Wen; Liu, Jun-Liang; Chen, Yan-Cong; Jia, Jian-Hua; Tong, Ming-Liang","Construction of lanthanide single-molecule magnets with the “magnetic motif” [Dy(MQ)4]−","Inorganic Chemistry Frontiers","2017","4","11","1776","","10.1039/C7QI00393E","","","0.71073","MoKα","","0.033","0.0223","","","0.044","0.0468","","","","","","1.021","","","","has coordinates","235809","2020-10-21","18:00:00",""
"4349767","8.5157","0.0017","14.75","0.003","4.2511","0.0009","90","","90","","90","","533.97","0.19","293","2","293","2","","","","","","","","3","C m c e","-C 2ac 2","64","Ce2PtGe3","","","- Ce2 Ge3.09 Pt0.91 -","- Ce2 Ge3.092 Pt0.908 -","- Ce8 Ge12.368 Pt3.632 -","4","0.25","","Sarkar, Sumanta; Roy, Soumyabrata; Kalsi, Deepti; Peter, Sebastian C.","Ce2PtGe3: a new ordered orthorhombic superstructure in the AlB2family with spin glass behavior","Inorganic Chemistry Frontiers","2017","4","12","2097","","10.1039/C7QI00416H","","","0.71073","MoKα","","0.099","0.0316","","","0.0755","0.1098","","","","","","0.832","","","","has coordinates","235812","2020-10-21","18:00:00",""
"4349773","10.6753","0.0005","12.7814","0.0005","13.0976","0.0005","113.737","0.004","90.433","0.003","112.56","0.004","1482.74","0.13","293","2","293","2","","","","","","","","4","P -1","-P 1","2","","","","- Cu3 H70 O74 W12 -","- Cu3 H70 O74 W12 -","- Cu3 H70 O74 W12 -","1","0.5","","Chen, Yongdong; Zhang, Chaolei; Zhang, Jiangwei; Ye, Zhongbin; Zheng, Kai; Fang, Qihua; Li, Gao","Cu-Induced [H6W12O42]6− polyoxometalate-based bimetallic cluster formation for renewable biomass inulin hydrolysis toward fructose production","Inorganic Chemistry Frontiers","2017","4","11","1917","","10.1039/C7QI00516D","","","0.71073","MoKα","","0.0552","0.0482","","","0.08","0.1062","","","","","","1.071","","","","has coordinates","235818","2020-10-21","18:00:00",""
"4349774","15.9905","0.0011","10.9332","0.0008","16.8489","0.0012","90","","102.551","0.001","90","","2875.3","0.4","296","2","296.15","","","","","","","","no","6","P 1 21/n 1","-P 2yn","14","Co(L1)2(ClO4)2","1","","- C22 H22 Cl2 Co N6 O12 -","- C22 H22 Cl2 Co N6 O12 -","- C88 H88 Cl8 Co4 N24 O48 -","4","1","","Ding, Zhong-Yu; Meng, Yin-Shan; Xiao, Yi; Zhang, Yi-Quan; Zhu, Yuan-Yuan; Gao, Song","Probing the influence of molecular symmetry on the magnetic anisotropy of octahedral cobalt(ii) complexes","Inorganic Chemistry Frontiers","2017","4","11","1909","","10.1039/C7QI00547D","","","0.71073","MoKα","","0.0475","0.0417","","","0.1217","0.1281","","","","","","1.02","","","","has coordinates,has disorder","235821","2020-10-21","18:00:00",""
"4349775","13.8991","0.0004","19.9517","0.0006","25.3128","0.0008","90","","90","","90","","7019.5","0.4","180","0.1","180","0.1","","","","","","","no","6","P b c a","-P 2ac 2ab","61","Co(L2)2(ClO4)2","2","","- C30 H38 Cl2 Co N6 O12 -","- C30 H38 Cl2 Co N6 O12 -","- C240 H304 Cl16 Co8 N48 O96 -","8","1","","Ding, Zhong-Yu; Meng, Yin-Shan; Xiao, Yi; Zhang, Yi-Quan; Zhu, Yuan-Yuan; Gao, Song","Probing the influence of molecular symmetry on the magnetic anisotropy of octahedral cobalt(ii) complexes","Inorganic Chemistry Frontiers","2017","4","11","1909","","10.1039/C7QI00547D","","","0.71073","MoKα","","0.0868","0.0672","","","0.1695","0.1865","","","","","","1.022","","","","has coordinates,has disorder","235821","2020-10-21","18:00:00",""
"4349776","16.0297","0.0006","16.823","0.0006","19.7681","0.0008","90","","109.738","0.001","90","","5017.6","0.3","273","2","273.15","","","","","","","","","6","P 1 21/n 1","-P 2yn","14","5","Co-pybox-DiMe-pTol","","- C46 H53 Cl2 Co N7 O12 -","- C46 H53 Cl2 Co N7 O12 -","- C184 H212 Cl8 Co4 N28 O48 -","4","1","","Ding, Zhong-Yu; Meng, Yin-Shan; Xiao, Yi; Zhang, Yi-Quan; Zhu, Yuan-Yuan; Gao, Song","Probing the influence of molecular symmetry on the magnetic anisotropy of octahedral cobalt(ii) complexes","Inorganic Chemistry Frontiers","2017","4","11","1909","","10.1039/C7QI00547D","","","0.71073","MoKα","","0.092","0.0628","","","0.1671","0.1923","","","","","","1.029","","","","has coordinates","235821","2020-10-21","18:00:00",""
"4349777","16.987","0.003","19.242","0.004","22.838","0.005","90","","90","","90","","7465","3","153.15","","153.15","","","","","","","","no","6","P b c a","-P 2ac 2ab","61","Co(L2)2(ClO4)2(MeCN)","3","","- C32 H41 Cl2 Co N7 O12 -","- C32 H41 Cl2 Co N7 O12 -","- C256 H328 Cl16 Co8 N56 O96 -","8","1","","Ding, Zhong-Yu; Meng, Yin-Shan; Xiao, Yi; Zhang, Yi-Quan; Zhu, Yuan-Yuan; Gao, Song","Probing the influence of molecular symmetry on the magnetic anisotropy of octahedral cobalt(ii) complexes","Inorganic Chemistry Frontiers","2017","4","11","1909","","10.1039/C7QI00547D","","","0.71073","MoKα","","0.0861","0.0809","","","0.1405","0.1423","","","","","","1.32","","","","has coordinates","235821","2020-10-21","18:00:00",""
"4349778","18.847","0.004","17.562","0.004","11.378","0.002","90","","90","","90","","3766","1.3","153.15","","153.15","","","","","","","","no","6","P n a 21","P 2c -2n","33","Co(L3)2(ClO4)2","4","","- C36 H34 Cl2 Co N6 O12 -","- C36 H34 Cl2 Co N6 O12 -","- C144 H136 Cl8 Co4 N24 O48 -","4","1","","Ding, Zhong-Yu; Meng, Yin-Shan; Xiao, Yi; Zhang, Yi-Quan; Zhu, Yuan-Yuan; Gao, Song","Probing the influence of molecular symmetry on the magnetic anisotropy of octahedral cobalt(ii) complexes","Inorganic Chemistry Frontiers","2017","4","11","1909","","10.1039/C7QI00547D","","","0.71073","MoKα","","0.0611","0.0526","","","0.1044","0.109","","","","","","1.087","","","","has coordinates","235821","2020-10-21","18:00:00",""
"4349779","25.736","0.003","75.453","0.007","9.3523","0.0009","90","","90","","90","","18161","3","296.15","","296.15","","","","","","","","no","6","F d d 2","F 2 -2d","43","Co(L4)2(ClO4)2","5","","- C40 H48 Cl2 Co N8 O14 -","- C40 H48 Cl2 Co N8 O14 -","- C640 H768 Cl32 Co16 N128 O224 -","16","1","","Ding, Zhong-Yu; Meng, Yin-Shan; Xiao, Yi; Zhang, Yi-Quan; Zhu, Yuan-Yuan; Gao, Song","Probing the influence of molecular symmetry on the magnetic anisotropy of octahedral cobalt(ii) complexes","Inorganic Chemistry Frontiers","2017","4","11","1909","","10.1039/C7QI00547D","","","0.71073","MoKα","","0.0878","0.0629","","","0.1672","0.1851","","","","","","1.003","","","","has coordinates","235821","2020-10-21","18:00:00",""
"4349783","8.0423","0.0004","10.5269","0.0004","32.6069","0.0014","90","","90","","90","","2760.5","0.2","293","2","293","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C12 H13 N5 O3 Zn -","- C12 H13 N5 O3 Zn -","- C96 H104 N40 O24 Zn8 -","8","1","","Zhang, Xiao; Luo, Xuan; Zhang, Nanxi; Wu, Jie; Huang, Yong-Qing","A highly selective and sensitive Zn(ii) coordination polymer luminescent sensor for Al3+and NACs in the aqueous phase","Inorganic Chemistry Frontiers","2017","4","11","1888","","10.1039/C7QI00549K","","x-ray","0.71073","MoKα","","0.0751","0.0428","","","0.0575","0.0678","","","","","","0.951","","","","has coordinates","235826","2020-10-21","18:00:00",""
"4349784","13.3504","0.0002","17.9198","0.0002","14.0028","0.0002","90","","115.764","0.002","90","","3016.97","0.09","130","0.1","130","0.1","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C33 H27 Cl2 N O3 P2 Pt -","- C33 H27 Cl2 N O3 P2 Pt -","- C132 H108 Cl8 N4 O12 P8 Pt4 -","4","1","","Sabounchei, Seyyed Javad; Hosseinzadeh, Marjan; Salehzadeh, Sadegh; Maleki, Farahnaz; Gable, Robert W.","Mononuclear palladium(ii) and platinum(ii) complexes of P,C-donor ligands: synthesis, crystal structures, cytotoxicity, and mechanistic studies of a highly stereoselective Mizoroki‒Heck reaction","Inorganic Chemistry Frontiers","2017","4","12","2107","","10.1039/C7QI00568G","","x-ray","0.71073","MoKα","","0.0251","0.0209","","","0.0422","0.0448","","","","","","1.132","","","","has coordinates","235828","2020-10-21","18:00:00",""
"4349785","15.429","0.0002","16.4777","0.0003","27.0274","0.0005","90","","90.6167","0.0015","90","","6870.9","0.2","129.99","0.1","129.99","0.1","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C40 H34 Cl2 O P2 Pd -","- C40 H34 Cl2 O P2 Pd -","- C320 H272 Cl16 O8 P16 Pd8 -","8","2","","Sabounchei, Seyyed Javad; Hosseinzadeh, Marjan; Salehzadeh, Sadegh; Maleki, Farahnaz; Gable, Robert W.","Mononuclear palladium(ii) and platinum(ii) complexes of P,C-donor ligands: synthesis, crystal structures, cytotoxicity, and mechanistic studies of a highly stereoselective Mizoroki‒Heck reaction","Inorganic Chemistry Frontiers","2017","4","12","2107","","10.1039/C7QI00568G","","x-ray","1.54184","CuKα","","0.0793","0.0726","","","0.1808","0.184","","","","","","1.126","","","","has coordinates","235828","2020-10-21","18:00:00",""
"4350798","13.7839","0.0009","14.0865","0.0009","23.3138","0.0016","90","","90","","90","","4526.8","0.5","296","2","296","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C30 H24 Ag5 I7 N6 Zn -","- C30 H24 Ag5 I7 N6 Zn -","- C120 H96 Ag20 I28 N24 Zn4 -","4","1","","Lei, Xiao-Wu; Yue, Cheng-Yang; Wu, Fan; Jiang, Xiang-Yu; Chen, Li-Na","Syntheses, crystal structures and photocatalytic properties of transition metal complex directed iodoargentates: [TM(2,2-bipy) 3 ]Ag 5 I 7","Inorganic Chemistry Communications","2017","77","","64","67","10.1016/j.inoche.2017.01.010","","","0.71073","MoKα","","0.0507","0.0355","","","0.0801","0.0859","","","","","","1.021","","","","has coordinates","272312","2022-01-28","07:55:08",""
"4350799","13.7767","0.0011","13.9933","0.0011","23.4006","0.0019","90","","90","","90","","4511.2","0.6","296","2","296","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C30 H24 Ag5 I7 N6 Ni -","- C30 H24 Ag5 I7 N6 Ni -","- C120 H96 Ag20 I28 N24 Ni4 -","4","1","","Lei, Xiao-Wu; Yue, Cheng-Yang; Wu, Fan; Jiang, Xiang-Yu; Chen, Li-Na","Syntheses, crystal structures and photocatalytic properties of transition metal complex directed iodoargentates: [TM(2,2-bipy) 3 ]Ag 5 I 7","Inorganic Chemistry Communications","2017","77","","64","67","10.1016/j.inoche.2017.01.010","","","0.71073","MoKα","","0.0801","0.0427","","","0.0865","0.0992","","","","","","1.005","","","","has coordinates","272312","2022-01-28","07:55:09",""
"4350800","13.7377","0.0007","14.0394","0.0007","23.4207","0.0011","90","","90","","90","","4517.1","0.4","296","2","296","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C30 H24 Ag5 Co I7 N6 -","- C30 H24 Ag5 Co I7 N6 -","- C120 H96 Ag20 Co4 I28 N24 -","4","1","","Lei, Xiao-Wu; Yue, Cheng-Yang; Wu, Fan; Jiang, Xiang-Yu; Chen, Li-Na","Syntheses, crystal structures and photocatalytic properties of transition metal complex directed iodoargentates: [TM(2,2-bipy) 3 ]Ag 5 I 7","Inorganic Chemistry Communications","2017","77","","64","67","10.1016/j.inoche.2017.01.010","","","0.71073","MoKα","","0.0766","0.042","","","0.0889","0.1009","","","","","","1.008","","","","has coordinates","272312","2022-01-28","07:55:09",""
"4350808","8.7666","0.0008","11.3476","0.0013","17.146","0.0015","77.903","0.002","86.729","0.001","69.716","0.001","1564.2","0.3","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C32 H24 N2 O6 Zn -","- C32 H24 N2 O6 Zn -","- C64 H48 N4 O12 Zn2 -","2","1","","Zhang, Chuan-Lei; Xu, Heng; Song, Xiao-Wei; Meng, Yan; Chen, Jing-Juan","Three d10 coordination polymers based on rigid ligands with flexible functional groups: Syntheses, structures and luminescence","Inorganic Chemistry Communications","2017","84","","229","233","10.1016/j.inoche.2017.09.003","","","0.71073","MoKα","","0.0623","0.049","","","0.1329","0.1398","","","","","","1.073","","","","has coordinates","272315","2022-01-28","08:13:17",""
"4350809","13.0893","0.0011","8.9978","0.0007","31.5216","0.0019","90","","102.96","0.003","90","","3617.9","0.5","293","2","293","2","","","","","","","","5","P 1 2/c 1","-P 2yc","13","","","","- C41 H32 N3 O9 Zn -","- C41 H32 N3 O9 Zn -","- C164 H128 N12 O36 Zn4 -","4","1","","Zhang, Chuan-Lei; Xu, Heng; Song, Xiao-Wei; Meng, Yan; Chen, Jing-Juan","Three d10 coordination polymers based on rigid ligands with flexible functional groups: Syntheses, structures and luminescence","Inorganic Chemistry Communications","2017","84","","229","233","10.1016/j.inoche.2017.09.003","","","0.71073","MoKα","","0.1013","0.0764","","","0.2268","0.2437","","","","","","1.059","","","","has coordinates","272315","2022-01-28","08:13:18",""
"4350810","6.174","0.003","11.73","0.006","17.67","0.009","92.377","0.007","93.131","0.007","102.762","0.008","1244.3","1.1","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C25 H23 Cd N O9 -","- C25 H23 Cd N O9 -","- C50 H46 Cd2 N2 O18 -","2","1","","Zhang, Chuan-Lei; Xu, Heng; Song, Xiao-Wei; Meng, Yan; Chen, Jing-Juan","Three d10 coordination polymers based on rigid ligands with flexible functional groups: Syntheses, structures and luminescence","Inorganic Chemistry Communications","2017","84","","229","233","10.1016/j.inoche.2017.09.003","","","0.71073","MoKα","","0.0785","0.0744","","","0.2133","0.216","","","","","","1.222","","","","has coordinates","272315","2022-01-28","08:13:18",""
"4350819","11.1156","0.0009","7.007","0.0007","6.5251","0.0005","90","","125.572","0.0014","90","","413.38","0.06","","","","","","","","","","","","3","C 1 2/m 1","-C 2y","12","Dilithium di-μ-sulfido-bis(disulfidophosphate(V))","","","- Li2 P2 S6 -","- Li2 P2 S6 -","- Li4 P4 S12 -","2","0.25","","Dietrich, Christian; Weber, Dominik A.; Culver, Sean; Senyshyn, Anatoliy; Sedlmaier, Stefan J.; Indris, Sylvio; Janek, Jürgen; Zeier, Wolfgang G.","Synthesis, Structural Characterization, and Lithium Ion Conductivity of the Lithium Thiophosphate Li2P2S6","Inorganic Chemistry","2017","56","11","6681","6687","10.1021/acs.inorgchem.7b00751","","","","","","","","","","","","","","","","","","","","","has coordinates","287619","2023-11-15","16:07:58",""
"4513989","6.8412","0.0004","9.1081","0.0006","15.4906","0.0009","94.527","0.002","101.197","0.002","110.28","0.002","876.87","0.09","123","2","123","2","","","","","","","","4","P -1","-P 1","2","16045a","","","- C19 H19 Br O5 -","- C19 H19 Br O5 -","- C38 H38 Br2 O10 -","2","1","","Widen, John C.; Kempema, Aaron M.; Villalta, Peter W.; Harki, Daniel A.","Targeting NF-κB p65 with a Helenalin Inspired Bis-electrophile.","ACS chemical biology","2017","12","1","102","113","10.1021/acschembio.6b00751","","","1.54178","CuKα","","0.0284","0.0277","","","0.073","0.0736","","","","","","1.113","","","","has coordinates,has disorder","193396","2020-10-21","18:00:00",""
"4513994","15.431","0.005","16.964","0.005","23.348","0.007","90","","90","","90","","6112","3","173","","173","","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C46 H52 Cu2 N10 -","- C46 H52 Cu2 N10 -","- C184 H208 Cu8 N40 -","4","1","","Trose, Michael; Lazreg, Faïma; Chang, Tao; Nahra, Fady; Cordes, David B.; Slawin, Alexandra M. Z.; Cazin, Catherine S. J.","Neutral Dinuclear Copper(I)-NHC Complexes: Synthesis and Application in the Hydrosilylation of Ketones","ACS Catalysis","2017","7","1","238","","10.1021/acscatal.6b02723","","","0.71075","MoKα","","0.2579","0.1642","","","0.3988","0.4354","","","","","","1.354","","","","has coordinates","191331","2020-10-21","18:00:00",""
"4513998","10.9835","0.0007","12.2187","0.0008","13.4045","0.001","62.987","0.007","70.987","0.006","71.821","0.006","1486.2","0.2","279.6","","279.6","","","","","","","","","6","P -1","-P 1","2","","","","- C31 H36 B N O4 S -","- C31 H36 B N O4 S -","- C62 H72 B2 N2 O8 S2 -","2","1","","Xi, Tuo; Lu, Zhan","Cobalt-Catalyzed Ligand-Controlled Regioselective Hydroboration/Cyclization of 1,6-Enynes","ACS Catalysis","2017","","","1181","","10.1021/acscatal.6b02816","","","0.71073","MoKα","","0.0859","0.0525","","","0.122","0.1478","","","","","","1.025","","","","has coordinates","190351","2020-10-21","18:00:00",""
"4513999","8.1455","0.0008","16.5588","0.0016","20.962","0.002","90","","94.132","0.002","90","","2820","0.5","100","2","100","2","","","","","","","","9","P 1 21/c 1","-P 2ybc","14","Iridiumcpstarnpligand","","","- C25 H39 Cl F3 Ir N O3 P S -","- C25 H39 Cl F3 Ir N O3 P S -","- C100 H156 Cl4 F12 Ir4 N4 O12 P4 S4 -","4","1","","Celaje, Jeff Joseph A.; Zhang, Xingyue; Zhang, Forrest; Kam, Lisa; Herron, Jessica R.; Williams, Travis J.","A Base and Solvent-Free Ruthenium-Catalyzed Alkylation of Amines","ACS Catalysis","2017","7","2","1136","","10.1021/acscatal.6b03088","","","0.71073","MoKα","","0.0475","0.0338","","","0.0697","0.0742","","","","","","1.039","","","","has coordinates","191330","2020-10-21","18:00:00",""
"4514000","10.6381","0.0013","18.837","0.002","12.0604","0.0015","90","","94.139","0.002","90","","2410.5","0.5","296","2","296","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C25 H17 Eu N3 O10 -","- C25 H17 Eu N3 O10 -","- C100 H68 Eu4 N12 O40 -","4","1","","Yan, Wei; Zhang, Chuanlei; Chen, Shuguang; Han, Lijuan; Zheng, Hegen","Two Lanthanide Metal-Organic Frameworks as Remarkably Selective and Sensitive Bifunctional Luminescence Sensor for Metal Ions and Small Organic Molecules.","ACS applied materials & interfaces","2017","","","","","10.1021/acsami.6b14563","","","0.71073","MoKα","","0.0299","0.0272","","","0.0694","0.071","","","","","","1.047","","","","has coordinates","190412","2020-10-21","18:00:00",""
"4514001","10.6273","0.001","18.7534","0.0017","11.9852","0.0011","90","","94.028","0.001","90","","2382.7","0.4","296","2","296","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C25 H17 N3 O10 Tb -","- C25 H18 N3 O10 Tb -","- C100 H72 N12 O40 Tb4 -","4","1","","Yan, Wei; Zhang, Chuanlei; Chen, Shuguang; Han, Lijuan; Zheng, Hegen","Two Lanthanide Metal-Organic Frameworks as Remarkably Selective and Sensitive Bifunctional Luminescence Sensor for Metal Ions and Small Organic Molecules.","ACS applied materials & interfaces","2017","","","","","10.1021/acsami.6b14563","","","0.71073","MoKα","","0.0268","0.0236","","","0.0615","0.0646","","","","","","1.04","","","","has coordinates","190412","2020-10-21","18:00:00",""
"4514002","7.133","0.007","9.382","0.009","11.936","0.011","87.001","0.013","82.136","0.013","87.129","0.013","789.4","1.3","273","2","273","2","","","","","","","","4","P -1","-P 1","2","","","","- C44 H22 F4 N4 -","- C44 H22 F4 N4 -","- C44 H22 F4 N4 -","1","0.5","","Zhang, Jing; Liu, Guangfeng; Zhou, Yecheng; Long, Guankui; Gu, Peiyang; Zhang, Qichun","Solvent Accommodation: Functionalities Can Be Tailored Through Co-Crystallization Based on 1:1 Coronene-F4TCNQ Charge-Transfer Complex.","ACS applied materials & interfaces","2017","","","","","10.1021/acsami.6b15027","","","0.71073","MoKα","","0.1214","0.0692","","","0.2033","0.2379","","","","","","1.065","","","","has coordinates","190413","2020-10-21","18:00:00",""
"4514003","12.3423","0.0011","19.324","0.0017","21.3802","0.0019","88.813","0.002","82.852","0.002","76.64","0.001","4922.5","0.8","298","2","298","2","","","","","","","","7","P -1","-P 1","2","","","","- C53 H50 Ni O5 P2 S Si -","- C53 H50 Ni O5 P2 S Si -","- C212 H200 Ni4 O20 P8 S4 Si4 -","4","2","","Chen, Min; Chen, Changle","Rational Design of High-Performance Phosphine Sulfonate Nickel Catalysts for Ethylene Polymerization and Copolymerization with Polar Monomers","ACS Catalysis","2017","","","1308","","10.1021/acscatal.6b03394","","","0.71073","MoKα","","0.1199","0.0545","","","0.1038","0.1189","","","","","","1.039","","","","has coordinates","190667","2020-10-21","18:00:00",""
"4514004","28.5887","0.0014","11.054","0.0005","13.9384","0.0007","90","","110.016","0.001","90","","4138.7","0.3","296","2","296","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C46 H20 Cd N12 O8 -","- C46 H20 Cd N12 O8 -","- C184 H80 Cd4 N48 O32 -","4","0.5","","Zhao, Bei; Li, Na; Wang, Xi; Chang, Ze; Bu, Xian-He","Host-Guest Engineering of Coordination Polymers for Highly Tunable Luminophores Based on Charge Transfer Emissions.","ACS applied materials & interfaces","2017","","","","","10.1021/acsami.6b14554","","","0.71073","MoKα","","0.06","0.0536","","","0.1321","0.1343","","","","","","1.312","","","","has coordinates","190734","2020-10-21","18:00:00",""
"4514005","11.309","0.002","19.897","0.004","26.934","0.005","90","","90","","90","","6061","2","296","2","296","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C74 H52 Cd2 N12 O8 -","- C74 H52 Cd2 N12 O8 -","- C296 H208 Cd8 N48 O32 -","4","1","","Zhao, Bei; Li, Na; Wang, Xi; Chang, Ze; Bu, Xian-He","Host-Guest Engineering of Coordination Polymers for Highly Tunable Luminophores Based on Charge Transfer Emissions.","ACS applied materials & interfaces","2017","","","","","10.1021/acsami.6b14554","","","0.71073","MoKα","","0.025","0.0233","","","0.0556","0.0567","","","","","","0.999","","","","has coordinates","190734","2020-10-21","18:00:00",""
"4514006","20.119","0.004","27.014","0.005","11.361","0.002","90","","90","","90","","6175","2","296","2","296","2","","","","","","","","5","P n m a","-P 2ac 2n","62","","","","- C40 H26 Cd N6 O4 -","- C40 H26 Cd N6 O4 -","- C320 H208 Cd8 N48 O32 -","8","1","","Zhao, Bei; Li, Na; Wang, Xi; Chang, Ze; Bu, Xian-He","Host-Guest Engineering of Coordination Polymers for Highly Tunable Luminophores Based on Charge Transfer Emissions.","ACS applied materials & interfaces","2017","","","","","10.1021/acsami.6b14554","","","0.71073","MoKα","","0.0528","0.0384","","","0.0854","0.0937","","","","","","1.01","","","","has coordinates","190734","2020-10-21","18:00:00",""
"4514007","9.6788","0.0017","11.2486","0.0018","16.793","0.004","90","","90","","90","","1828.3","0.6","100","2","100","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C15 H32 N2 O3 -","- C15 H32 N2 O3 -","- C60 H128 N8 O12 -","4","1","","Cañellas, Santiago; Ayats, Carles; Henseler, Andrea H.; Pericàs, Miquel A.","A Highly Active Polymer-Supported Catalyst for Asymmetric Robinson Annulations in Continuous Flow","ACS Catalysis","2017","","","","","10.1021/acscatal.6b03286","","","0.71073","MoKα","","0.0461","0.0378","","","0.0937","0.0985","","","","","","1.053","","","","has coordinates","190782","2020-10-21","18:00:00",""
"4514008","9.0973","0.0002","8.2011","0.0002","22.9008","0.0006","90","","99.357","0.001","90","","1685.85","0.07","173","2","173","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C17 H24 N O3 S -","- C17 H24 N O3 S -","- C68 H96 N4 O12 S4 -","4","2","","Feng, Jian-Jun; Zhang, Junliang","Rhodium-Catalyzed Stereoselective Intramolecular Tandem Reaction of Vinyloxiranes with Alkynes: Atom- and Step-Economical Synthesis of Multifunctional Mono-, Bi-, and Tricyclic Compounds","ACS Catalysis","2017","7","3","1533","","10.1021/acscatal.6b03399","","","0.71073","MoKα","","0.0359","0.0343","","","0.0915","0.0932","","","","","","1.034","","","","has coordinates","253039","2020-10-21","18:00:00",""
"4514009","16.548","0.003","19.412","0.003","18.462","0.003","90","","107.3","0.003","90","","5662.3","1.6","296","2","296","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C74 H65 Cd4 N13 O22 -","- C74 H65 Cd4 N13 O22 -","- C148 H130 Cd8 N26 O44 -","2","0.5","","Hong, Xu-Jia; Wei, Qin; Cai, Yue-Peng; Zheng, Sheng-Run; Yu, Ying; Fan, Yan-Zhong; Xu, Xian-Yan; Si, Li-Ping","2-Fold Interpenetrating Bifunctional Cd-Metal-Organic Frameworks: Highly Selective Adsorption for CO2 and Sensitive Luminescent Sensing of Nitro Aromatic 2,4,6-Trinitrophenol.","ACS applied materials & interfaces","2017","","","","","10.1021/acsami.6b14051","","","0.71073","MoKα","","0.1202","0.0677","","","0.1778","0.2063","","","","","","0.954","","","","has coordinates,has disorder","191212","2020-10-21","18:00:00",""
"4514010","12.546","0.003","14.078","0.003","17.037","0.005","67.591","0.01","72.379","0.009","69.555","0.009","2556.2","1.1","100","","100","","","","","","","","","7","P -1","-P 1","2","","","","- C54 H46 Al F15 N3 O Re -","- C54 H46 Al F15 N3 O Re -","- C108 H92 Al2 F30 N6 O2 Re2 -","2","1","","Lambic, Nikola S.; Sommer, Roger D.; Ison, Elon A.","Tuning Catalytic Activity in the Hydrogenation of Unactivated Olefins with Transition-Metal Oxos as the Lewis Base Component of Frustrated Lewis Pairs","ACS Catalysis","2017","7","2","1170","","10.1021/acscatal.6b03313","","","0.71073","MoKα","","0.0528","0.0481","","","0.1268","0.1301","","","","","","1.1","","","","has coordinates,has disorder","191225","2020-10-21","18:00:00",""
"4514011","15.6648","0.0007","13.4862","0.0005","17.082","0.0008","90","","105.914","0.002","90","","3470.4","0.3","100","","100.02","","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C37.5 H47 Cl N3 O Re -","- C37.5 H47 Cl N3 O Re -","- C150 H188 Cl4 N12 O4 Re4 -","4","1","","Lambic, Nikola S.; Sommer, Roger D.; Ison, Elon A.","Tuning Catalytic Activity in the Hydrogenation of Unactivated Olefins with Transition-Metal Oxos as the Lewis Base Component of Frustrated Lewis Pairs","ACS Catalysis","2017","7","2","1170","","10.1021/acscatal.6b03313","","x-ray","0.71073","MoKα","K-L~3~","0.0298","0.0203","","","0.0427","0.0458","","","","","","1.035","","","","has coordinates,has disorder","191226","2020-10-21","18:00:00",""
"4514012","16.946","0.003","13.855","0.003","12.2464","0.0014","90","","100.543","0.011","90","","2826.8","0.9","100","2","100","2","","","","","","","","5","C 1 c 1","C -2yc","9","","","","- C28 H27 N3 O8 S2 -","- C28 H27 N3 O8 S2 -","- C112 H108 N12 O32 S8 -","4","1","","Rivinoja, Daniel J.; Gee, Yi Sing; Gardiner, Michael G.; Ryan, John H.; Hyland, Christopher J. T.","The Diastereoselective Synthesis of Pyrroloindolines by Pd-Catalyzed Dearomative Cycloaddition of 1-Tosyl-2-vinylaziridine to 3-Nitroindoles","ACS Catalysis","2017","7","2","1053","","10.1021/acscatal.6b03248","","x-ray","1.54178","CuKα","","0.0334","0.0321","","","0.0795","0.0806","","","","","","1.045","","","","has coordinates","191227","2020-10-21","18:00:00",""
"4514013","6.72474","0.00006","16.401","0.0002","17.4977","0.0002","90","","90","","90","","1929.86","0.04","100","2","100","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C25 H24 O3 -","- C25 H24 O3 -","- C100 H96 O12 -","4","1","","James, Jinju; Guiry, Patrick J.","Highly Enantioselective Construction of Sterically Hindered α-Allyl-α-Aryl Lactones via Palladium-Catalyzed Decarboxylative Asymmetric Allylic Alkylation","ACS Catalysis","2017","7","2","1397","","10.1021/acscatal.6b03355","","","1.54184","CuKα","","0.0292","0.0276","","","0.068","0.0692","","","","","","1.038","","","","has coordinates","191228","2020-10-21","18:00:00",""
"4514014","8.2785","0.0005","8.9703","0.0005","14.5673","0.0008","76.336","0.002","87.282","0.002","65.557","0.002","955.4","0.1","200","2","200","2","","","","","","","","6","P -1","-P 1","2","","","","- C16 H13 Au Cl5 N O2 -","- C16 H13 Au Cl5 N O2 -","- C32 H26 Au2 Cl10 N2 O4 -","2","1","","Tomás-Mendivil, Eder; Heinrich, Clément F.; Ortuno, Jean-Claude; Starck, Jérôme; Michelet, Véronique","Gold-Catalyzed Access to 1H-Isochromenes: Reaction Development and Mechanistic Insight","ACS Catalysis","2017","7","1","380","","10.1021/acscatal.6b02636","","","1.5418","CuKα","","0.0305","0.0299","","","0.0767","0.0773","","","","","","1.078","","","","has coordinates","191229","2020-10-21","18:00:00",""
"4514015","47.1143","0.0006","4.86847","0.00008","16.0241","0.0002","90","","97.7446","0.0011","90","","3641.99","0.09","100","2","100","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C17 H19 F3 I N O3 -","- C17 H19 F3 I N O3 -","- C136 H152 F24 I8 N8 O24 -","8","1","","Shen, Yangyang; Cornella, Josep; Juliá-Hernández, Francisco; Martin, Ruben","Visible-Light-Promoted Atom Transfer Radical Cyclization of Unactivated Alkyl Iodides","ACS Catalysis","2017","7","1","409","","10.1021/acscatal.6b03205","","","0.7107","MoKα","","0.0363","0.0328","","","0.0949","0.0972","","","","","","1.033","","","","has coordinates,has disorder","191230","2020-10-21","18:00:00",""
"4514016","11.3017","0.0015","13.5088","0.0015","14.966","0.002","90","","108.686","0.004","90","","2164.5","0.5","173","","173","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C46 H56 Cu2 N10 -","- C46 H56 Cu2 N10 -","- C92 H112 Cu4 N20 -","2","0.5","","Trose, Michael; Lazreg, Faïma; Chang, Tao; Nahra, Fady; Cordes, David B.; Slawin, Alexandra M. Z.; Cazin, Catherine S. J.","Neutral Dinuclear Copper(I)-NHC Complexes: Synthesis and Application in the Hydrosilylation of Ketones","ACS Catalysis","2017","7","1","238","","10.1021/acscatal.6b02723","","","0.71075","MoKα","","0.0422","0.0315","","","0.0766","0.0816","","","","","","1.036","","","","has coordinates","191231","2020-10-21","18:00:00",""
"4514017","20.4817","0.0014","20.4817","0.0014","21.6349","0.0017","90","","90","","90","","9075.8","1.1","173","","173","","","","","","","","","5","I 41/a","-I 4ad","88","","","","- C35 H54 Cl2 Cu2 N10 -","- C35 H54 Cl2 Cu2 N10 -","- C280 H432 Cl16 Cu16 N80 -","8","","","Trose, Michael; Lazreg, Faïma; Chang, Tao; Nahra, Fady; Cordes, David B.; Slawin, Alexandra M. Z.; Cazin, Catherine S. J.","Neutral Dinuclear Copper(I)-NHC Complexes: Synthesis and Application in the Hydrosilylation of Ketones","ACS Catalysis","2017","7","1","238","","10.1021/acscatal.6b02723","","","0.71075","MoKα","","0.072","0.0606","","","0.1706","0.1843","","","","","","1.071","","","","has coordinates,has disorder","191232","2020-10-21","18:00:00",""
"4514018","9.2408","0.0014","12.5092","0.0016","23.734","0.003","90","","90","","90","","2743.5","0.6","173","2","173","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C27 H37 F N2 O5 S -","- C27 H37 F N2 O5 S -","- C108 H148 F4 N8 O20 S4 -","4","1","","Nadon, Jean-François; Rochon, Kristina; Grastilleur, Sébastien; Langlois, Guillaume; Dao, Thi Thanh Hà; Blais, Véronique; Guérin, Brigitte; Gendron, Louis; Dory, Yves L.","Synthesis of Gly-ψ[(Z)CF═CH]-Phe, a Fluoroalkene Dipeptide Isostere, and Its Incorporation into a Leu-enkephalin Peptidomimetic.","ACS chemical neuroscience","2017","8","1","40","49","10.1021/acschemneuro.6b00163","","","1.54178","CuKα","","0.0467","0.0416","","","0.0931","0.098","","","","","","1.178","","","","has coordinates","191233","2020-10-21","18:00:00",""
"4514019","28.608","0.004","4.4122","0.0005","10.491","0.0011","90","","90","","90","","1324.2","0.3","93","2","93","2","","","","","","","","4","P c a 21","P 2c -2ac","29","","","","- C17 H12 N4 O -","- C17 H12 N4 O -","- C68 H48 N16 O4 -","4","1","","Cisneros, José A; Robertson, Michael J.; Mercado, Brandon Q.; Jorgensen, William L.","Systematic Study of Effects of Structural Modifications on the Aqueous Solubility of Drug-like Molecules.","ACS medicinal chemistry letters","2017","8","1","124","127","10.1021/acsmedchemlett.6b00451","","","1.54184","CuKα","","0.1207","0.086","","","0.2092","0.2421","","","","","","1.043","","","","has coordinates","191234","2020-10-21","18:00:00",""
"4514020","12.25","0.002","8.7012","0.0017","16.867","0.003","90","","102.59","0.03","90","","1754.6","0.6","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C18 H16 I N3 O3 -","- C18 H16 I N3 O3 -","- C72 H64 I4 N12 O12 -","4","1","","Huang, Yaodong; Li, Huimin; Li, Ziyan; Zhang, Yan; Cao, Wenwen; Wang, Luyuan; Liu, Shuxue","Unusual C-I···O Halogen Bonding in Triazole Derivatives: Gelation Solvents at Two Extremes of Polarity and Formation of Superorganogels.","Langmuir : the ACS journal of surfaces and colloids","2017","33","1","311","321","10.1021/acs.langmuir.6b03691","","","0.71073","MoKα","","0.0424","0.0318","","","0.0997","0.1077","","","","","","1.018","","","","has coordinates","191280","2020-10-21","18:00:00",""
"4514021","24.807","0.003","5.7253","0.0008","32.699","0.004","90","","90","","90","","4644.2","1","113","2","113","2","","","","","","","","4","P n a 21","P 2c -2n","33","","","","- C18 H17 N3 O3 -","- C18 H17 N3 O3 -","- C216 H204 N36 O36 -","12","3","","Huang, Yaodong; Li, Huimin; Li, Ziyan; Zhang, Yan; Cao, Wenwen; Wang, Luyuan; Liu, Shuxue","Unusual C-I···O Halogen Bonding in Triazole Derivatives: Gelation Solvents at Two Extremes of Polarity and Formation of Superorganogels.","Langmuir : the ACS journal of surfaces and colloids","2017","33","1","311","321","10.1021/acs.langmuir.6b03691","","","0.71073","MoKα","","0.0428","0.0377","","","0.0989","0.1032","","","","","","1.027","","","","has coordinates","191281","2020-10-21","18:00:00",""
"4514022","9.2232","0.0006","9.4833","0.0006","9.9839","0.0007","62.92","0.003","86.045","0.003","83.467","0.003","772.33","0.09","150","2","150","2","","","","","","","","5","P -1","-P 1","2","","","","- C28 H18 Co3 N14 O8 -","- C28 H18 Co3 N14 O8 -","- C28 H18 Co3 N14 O8 -","1","0.5","","Gong, Teng; Yang, Xiao; Fang, Jia-Jia; Sui, Qi; Xi, Fu-Gui; Gao, En-Qing","Distinct Chromic and Magnetic Properties of Metal-Organic Frameworks with a Redox Ligand.","ACS applied materials & interfaces","2017","9","6","5503","5512","10.1021/acsami.6b15540","","","1.54178","CuKα","","0.117","0.1085","","","0.2544","0.2599","","","","","","1.174","","","","has coordinates","193395","2020-10-21","18:00:00",""
"4514023","15.3747","0.0012","16.9302","0.0014","27.578","0.002","90","","93.07","0.001","90","","7168.2","1","296","2","296","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C78 H65 Cl F6 P5 Pd3 Sb -","- C78 H65 Cl F6 P5 Pd3 Sb -","- C312 H260 Cl4 F24 P20 Pd12 Sb4 -","4","1","","Fu, Fangyu; Xiang, Ji; Cheng, Hao; Cheng, Longjiu; Chong, Hanbao; Wang, Shuxin; Li, Peng; Wei, Shiqiang; Zhu, Manzhou; Li, Yadong","A Robust and Efficient Pd3 Cluster Catalyst for the Suzuki Reaction and Its Odd Mechanism","ACS Catalysis","2017","7","3","1860","","10.1021/acscatal.6b02527","","","0.71073","MoKα","","0.1005","0.0474","","","0.0914","0.1144","","","","","","0.97","","","","has coordinates","193398","2020-10-21","18:00:00",""
"4514024","24.283","0.005","21.152","0.004","17.759","0.004","90","","114.38","0.03","90","","8308","4","100","2","100","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C94 H118 Ge2 N2 O Si2 -","- C94 H118 Ge2 N2 O Si2 -","- C376 H472 Ge8 N8 O4 Si8 -","4","0.5","","Hadlington, Terrance J.; Kefalidis, Christos E.; Maron, Laurent; Jones, Cameron","Efficient Reduction of Carbon Dioxide to Methanol Equivalents Catalyzed by Two-Coordinate Amido‒Germanium(II) and −Tin(II) Hydride Complexes","ACS Catalysis","2017","7","3","1853","","10.1021/acscatal.6b03306","","","0.7108","Synchrotron","","0.086","0.0695","","","0.196","0.2107","","","","","","1.054","","","","has coordinates,has disorder","193399","2020-10-21","18:00:00",""
"4514025","10.1191","0.0004","12.9066","0.0005","18.7646","0.0007","88.763","0.003","86.92","0.003","85.612","0.003","2439.63","0.16","123","2","123","2","","","","","","","","7","P -1","-P 1","2","","","","- C52 H69 B N O3.5 Si Sn -","- C52 H69 B N O3.5 Si Sn -","- C104 H138 B2 N2 O7 Si2 Sn2 -","2","1","","Hadlington, Terrance J.; Kefalidis, Christos E.; Maron, Laurent; Jones, Cameron","Efficient Reduction of Carbon Dioxide to Methanol Equivalents Catalyzed by Two-Coordinate Amido‒Germanium(II) and −Tin(II) Hydride Complexes","ACS Catalysis","2017","7","3","1853","","10.1021/acscatal.6b03306","","","0.71073","MoKα","","0.0526","0.0414","","","0.1009","0.1086","","","","","","1.058","","","","has coordinates,has disorder","193399","2020-10-21","18:00:00",""
"4514026","9.99","0.002","11.36","0.002","18.89","0.004","86.59","0.03","85.63","0.03","67.69","0.03","1976.4","0.8","123","2","123","2","","","","","","","","6","P -1","-P 1","2","","","","- C45 H53 N O2 Si Sn -","- C45 H53 N O2 Si Sn -","- C90 H106 N2 O4 Si2 Sn2 -","2","1","","Hadlington, Terrance J.; Kefalidis, Christos E.; Maron, Laurent; Jones, Cameron","Efficient Reduction of Carbon Dioxide to Methanol Equivalents Catalyzed by Two-Coordinate Amido‒Germanium(II) and −Tin(II) Hydride Complexes","ACS Catalysis","2017","7","3","1853","","10.1021/acscatal.6b03306","","","0.71073","MoKα","","0.033","0.0311","","","0.0783","0.0791","","","","","","1.067","","","","has coordinates","193399","2020-10-21","18:00:00",""
"4514027","16.5344","0.0008","9.4279","0.0005","20.9981","0.0012","90","","90","","90","","3273.3","0.3","293","2","293","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C15 H23 N3 O3 -","- C15 H23 N3 O3 -","- C120 H184 N24 O24 -","8","1","","Bai, He-Yuan; Ma, Zhi-Gang; Yi, Min; Lin, Jun-Bing; Zhang, Shu-Yu","Palladium-Catalyzed Direct Intermolecular Amination of Unactivated Methylene C(sp3)‒H Bonds with Azodiformates via Bidentate-Chelation Assistance","ACS Catalysis","2017","7","3","2042","","10.1021/acscatal.6b03621","","","1.54178","CuKα","","0.0563","0.0465","","","0.1339","0.1437","","","","","","0.982","","","","has coordinates","193397","2020-10-21","18:00:00",""
"4514028","23.6464","0.0007","24.1857","0.0006","24.249","0.0008","90","","116.899","0.002","90","","12367.7","0.7","133","2","133","2","","","","","","","","7","C 1 2/c 1","-C 2yc","15","","","","- C56.25 H50.5 F12 N10 O4.75 P2 Ru2 -","- C56.25 H50.5 F12 N10 O4.75 P2 Ru2 -","- C450 H404 F96 N80 O38 P16 Ru16 -","8","1","","Odrobina, Jann; Scholz, Julius; Pannwitz, Andrea; Francàs, Laia; Dechert, Sebastian; Llobet, Antoni; Jooss, Christian; Meyer, Franc","Backbone Immobilization of the Bis(bipyridyl)pyrazolate Diruthenium Catalyst for Electrochemical Water Oxidation","ACS Catalysis","2017","7","3","2116","","10.1021/acscatal.6b02860","","","0.71073","MoKα","","0.0928","0.0586","","","0.1374","0.1511","","","","","","0.989","","","","has coordinates,has disorder","193401","2020-10-21","18:00:00",""
"4514029","18.7376","0.0007","22.1944","0.0008","15.7519","0.0006","90","","90.788","0.003","90","","6550.1","0.4","133","2","133","2","","","","","","","","7","C 1 2/c 1","-C 2yc","15","","","","- C61 H60 F12 N10 O7 P2 Ru2 -","- C61 H60 F12 N10 O7 P2 Ru2 -","- C244 H240 F48 N40 O28 P8 Ru8 -","4","0.5","","Odrobina, Jann; Scholz, Julius; Pannwitz, Andrea; Francàs, Laia; Dechert, Sebastian; Llobet, Antoni; Jooss, Christian; Meyer, Franc","Backbone Immobilization of the Bis(bipyridyl)pyrazolate Diruthenium Catalyst for Electrochemical Water Oxidation","ACS Catalysis","2017","7","3","2116","","10.1021/acscatal.6b02860","","","0.71073","MoKα","","0.0558","0.0419","","","0.1087","0.1143","","","","","","1.028","","","","has coordinates,has disorder","193401","2020-10-21","18:00:00",""
"4514030","11.2326","0.001","11.336","0.001","16.1197","0.0014","78.107","0.001","72.51","0.001","67.279","0.001","1796.3","0.3","100","2","100","2","","","","","","","","7","P -1","-P 1","2","(dppf)Ni(SCF2)","","","- C42 H36 F2 Fe Ni P2 S -","- C42 H36 F2 Fe Ni P2 S -","- C84 H72 F4 Fe2 Ni2 P4 S2 -","2","1","","Kalvet, Indrek; Guo, Qianqian; Tizzard, Graham J.; Schoenebeck, Franziska","When Weaker Can Be Tougher: The Role of Oxidation State (I) in P- vs N-Ligand-Derived Ni-Catalyzed Trifluoromethylthiolation of Aryl Halides.","ACS catalysis","2017","7","3","2126","2132","10.1021/acscatal.6b03344","","","0.71073","MoKα","","0.0422","0.0345","","","0.0812","0.0849","","","","","","1.028","","","","has coordinates","194774","2020-10-21","18:00:00",""
"4514031","8.9532","0.0002","10.0303","0.0003","20.4331","0.0011","91.917","0.003","99.127","0.004","94.971","0.002","1802.83","0.12","100","2","100","2","","","","","","","","6","P -1","-P 1","2","","","","- C40 H34 Fe I2 Ni P2 -","- C40 H34 Fe I2 Ni P2 -","- C80 H68 Fe2 I4 Ni2 P4 -","2","1","","Kalvet, Indrek; Guo, Qianqian; Tizzard, Graham J.; Schoenebeck, Franziska","When Weaker Can Be Tougher: The Role of Oxidation State (I) in P- vs N-Ligand-Derived Ni-Catalyzed Trifluoromethylthiolation of Aryl Halides.","ACS catalysis","2017","7","3","2126","2132","10.1021/acscatal.6b03344","","x-ray","0.71073","MoKα","","0.0454","0.0415","","","0.0863","0.0878","","","","","","1.071","","","","has coordinates","194774","2020-10-21","18:00:00",""
"4514032","14.3819","0.0006","8.1017","0.0003","23.2784","0.0009","90","","91.397","0.004","90","","2711.54","0.18","130","2","130","2","","","","","","","","4","I 1 2/a 1","-I 2ya","15","","","","- C26 H32 N12 O2 -","- C26 H32 N12 O2 -","- C104 H128 N48 O8 -","4","0.5","","Wang, Yuanze; Patil, Pravin; Kurpiewska, Katarzyna; Kalinowska-Tluscik, Justyna; Dömling, Alexander","Two Cycles with One Catch: Hydrazine in Ugi 4-CR and Its Postcyclizations.","ACS combinatorial science","2017","19","3","193","198","10.1021/acscombsci.7b00009","","x-ray","0.71073","MoKα","","0.045","0.0365","","","0.0876","0.0945","","","","","","1.047","","","","has coordinates","194775","2020-10-21","18:00:00",""
"4514033","10.7348","0.0005","9.1446","0.0003","11.7753","0.0006","90","","116.418","0.006","90","","1035.22","0.1","130","2","130","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C9 H14 N6 O -","- C9 H14 N6 O -","- C36 H56 N24 O4 -","4","1","","Wang, Yuanze; Patil, Pravin; Kurpiewska, Katarzyna; Kalinowska-Tluscik, Justyna; Dömling, Alexander","Two Cycles with One Catch: Hydrazine in Ugi 4-CR and Its Postcyclizations.","ACS combinatorial science","2017","19","3","193","198","10.1021/acscombsci.7b00009","","x-ray","0.71073","MoKα","","0.0624","0.0436","","","0.0933","0.1052","","","","","","1.051","","","","has coordinates","194775","2020-10-21","18:00:00",""
"4514034","22.7944","0.0008","7.5374","0.0002","12.1001","0.0004","90","","102.072","0.004","90","","2032.95","0.12","130","0.1","130","0.1","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C16 H30 N6 O4 -","- C16 H30 N6 O4 -","- C64 H120 N24 O16 -","4","1","","Wang, Yuanze; Patil, Pravin; Kurpiewska, Katarzyna; Kalinowska-Tluscik, Justyna; Dömling, Alexander","Two Cycles with One Catch: Hydrazine in Ugi 4-CR and Its Postcyclizations.","ACS combinatorial science","2017","19","3","193","198","10.1021/acscombsci.7b00009","","x-ray","0.71073","MoKα","","0.0585","0.0414","","","0.0901","0.1003","","","","","","1.048","","","","has coordinates","204145","2020-10-21","18:00:00",""
"4514035","15.8975","0.0006","12.9679","0.0003","19.3594","0.0009","90","","115.611","0.005","90","","3599","0.3","134","5","134","5","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C15 H26 N6 O4 -","- C15 H26 N6 O4 -","- C120 H208 N48 O32 -","8","1","","Wang, Yuanze; Patil, Pravin; Kurpiewska, Katarzyna; Kalinowska-Tluscik, Justyna; Dömling, Alexander","Two Cycles with One Catch: Hydrazine in Ugi 4-CR and Its Postcyclizations.","ACS combinatorial science","2017","19","3","193","198","10.1021/acscombsci.7b00009","","x-ray","0.71073","MoKα","","0.0629","0.0427","","","0.0984","0.1104","","","","","","0.998","","","","has coordinates","204145","2020-10-21","18:00:00",""
"4514036","11.5427","0.0004","8.6359","0.0003","14.6147","0.0005","90","","93.932","0.003","90","","1453.39","0.09","130","2","130","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C15 H18 N6 O -","- C15 H18 N6 O -","- C60 H72 N24 O4 -","4","1","","Wang, Yuanze; Patil, Pravin; Kurpiewska, Katarzyna; Kalinowska-Tluscik, Justyna; Dömling, Alexander","Two Cycles with One Catch: Hydrazine in Ugi 4-CR and Its Postcyclizations.","ACS combinatorial science","2017","19","3","193","198","10.1021/acscombsci.7b00009","","x-ray","0.71073","MoKα","","0.0723","0.0502","","","0.1189","0.1346","","","","","","1.092","","","","has coordinates,has disorder","194775","2020-10-21","18:00:00",""
"4514037","11.2473","0.0003","18.5148","0.0006","26.3786","0.0008","90","","97.2988","0.0013","90","","5448.6","0.3","200","2","200","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C54.5 H45 Ag4 Cl5 O10 -","- C54.5 H45 Ag4 Cl5 O10 -","- C218 H180 Ag16 Cl20 O40 -","4","1","","Zhou, Zhen; He, Cheng; Yang, Lu; Wang, Yefei; Liu, Tao; Duan, Chunying","Alkyne Activation by a Porous Silver Coordination Polymer for Heterogeneous Catalysis of Carbon Dioxide Cycloaddition","ACS Catalysis","2017","7","3","2248","","10.1021/acscatal.6b03404","","","0.71073","MoKα","","0.1489","0.1043","","","0.2712","0.2948","","","","","","1.015","","","","has coordinates,has disorder","193402","2020-10-21","18:00:00",""
"4514038","26.064","0.003","19.397","0.002","11.0996","0.0012","90","","97.166","0.002","90","","5567.7","1.1","220","2","220","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C15 H12 Ag2 O6 -","- C15 H12 Ag2 O6 -","- C120 H96 Ag16 O48 -","8","1","","Zhou, Zhen; He, Cheng; Yang, Lu; Wang, Yefei; Liu, Tao; Duan, Chunying","Alkyne Activation by a Porous Silver Coordination Polymer for Heterogeneous Catalysis of Carbon Dioxide Cycloaddition","ACS Catalysis","2017","7","3","2248","","10.1021/acscatal.6b03404","","","0.71073","MoKα","","0.0769","0.0661","","","0.1864","0.1952","","","","","","1.116","","","","has coordinates","193402","2020-10-21","18:00:00",""
"4514039","12.3621","0.00005","45.6111","0.0002","12.6667","0.00005","90","","97.7659","0.0003","90","","7076.6","0.05","100","2","100","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C44 H30 F5 N2 P -","- C44 H30 F5 N2 P -","- C352 H240 F40 N16 P8 -","8","4","","Rokade, Balaji V.; Guiry, Patrick J.","Diastereofacial π-Stacking as an Approach To Access an Axially Chiral P,N-Ligand for Asymmetric Catalysis","ACS Catalysis","2017","","","2334","","10.1021/acscatal.6b03427","","","1.54184","CuKα","","0.0301","0.0288","","","0.0726","0.0737","","","","","","1.011","","","","has coordinates","192492","2020-10-21","18:00:00",""
"4514040","7.20833","0.00016","12.3392","0.0003","14.6278","0.0005","90","","93.647","0.002","90","","1298.44","0.06","100","2","100","2","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C24 H18 Cl6 N O5 V -","- C24 H18 Cl6 N O5 V -","- C48 H36 Cl12 N2 O10 V2 -","2","1","","Miceli, Claudia; Rintjema, Jeroen; Martin, Eddy; Escudero-Adán, Eduardo C.; Zonta, Cristiano; Licini, Giulia; Kleij, Arjan W.","Vanadium(V) Catalysts with High Activity for the Coupling of Epoxides and CO2: Characterization of a Putative Catalytic Intermediate","ACS Catalysis","2017","7","4","2367","","10.1021/acscatal.7b00109","","","0.7107","MoKα","","0.0328","0.0269","","","0.0609","0.063","","","","","","0.947","","","","has coordinates","196107","2020-10-21","18:00:00",""
"4514041","7.1728","0.0012","13.0626","0.0015","28.541","0.004","90","","96.136","0.005","90","","2658.8","0.7","100","2","100","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C24 H17 Cl7 N O5 V -","- C24 H17 Cl7 N O5 V -","- C96 H68 Cl28 N4 O20 V4 -","4","1","","Miceli, Claudia; Rintjema, Jeroen; Martin, Eddy; Escudero-Adán, Eduardo C.; Zonta, Cristiano; Licini, Giulia; Kleij, Arjan W.","Vanadium(V) Catalysts with High Activity for the Coupling of Epoxides and CO2: Characterization of a Putative Catalytic Intermediate","ACS Catalysis","2017","7","4","2367","","10.1021/acscatal.7b00109","","","0.71073","MoKα","","0.1184","0.0784","","","0.1772","0.1935","","","","","","1.089","","","","has coordinates,has disorder","196107","2020-10-21","18:00:00",""
"4514042","10.45578","0.00018","14.5262","0.0002","14.2658","0.0003","90","","105.018","0.0019","90","","2092.72","0.07","294","2","294","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C19 H17 Ag N8 O4 -","- C19 H17 Ag N8 O4 -","- C76 H68 Ag4 N32 O16 -","4","1","","Li, Cheng-Peng; Liu, Bo-Lan; Wang, Lei; Liu, Yue; Tian, Jia-Yue; Liu, Chun-Sen; Du, Miao","Tracking the Superefficient Anion Exchange of a Dynamic Porous Material Constructed by Ag(I) Nitrate and Tripyridyltriazole via Multistep Single-Crystal to Single-Crystal Transformations.","ACS applied materials & interfaces","2017","9","8","7202","7208","10.1021/acsami.6b16757","","","0.71073","MoKα","","0.0438","0.0332","","","0.082","0.0882","","","","","","1.057","","","","has coordinates","193394","2020-10-21","18:00:00",""
"4514043","9.7608","0.0011","18.2332","0.0013","10.4565","0.0014","90","","110.843","0.014","90","","1739.2","0.4","294","2","294","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C17 H12 Ag N7 O3 -","- C17 H12 Ag N7 O3 -","- C68 H48 Ag4 N28 O12 -","4","1","","Li, Cheng-Peng; Liu, Bo-Lan; Wang, Lei; Liu, Yue; Tian, Jia-Yue; Liu, Chun-Sen; Du, Miao","Tracking the Superefficient Anion Exchange of a Dynamic Porous Material Constructed by Ag(I) Nitrate and Tripyridyltriazole via Multistep Single-Crystal to Single-Crystal Transformations.","ACS applied materials & interfaces","2017","9","8","7202","7208","10.1021/acsami.6b16757","","","0.71073","MoKα","","0.069","0.0495","","","0.108","0.1147","","","","","","1.158","","","","has coordinates","193394","2020-10-21","18:00:00",""
"4514044","10.2824","0.0009","14.8893","0.001","14.3004","0.0013","90","","103.428","0.009","90","","2129.5","0.3","294","2","294","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C18 H13.5 Ag Mn0.84 N6.66 O3.84 -","- C18 H13.5 Ag Mn0.841 N6.659 O3.841 -","- C72 H54 Ag4 Mn3.364 N26.636 O15.364 -","4","1","","Li, Cheng-Peng; Liu, Bo-Lan; Wang, Lei; Liu, Yue; Tian, Jia-Yue; Liu, Chun-Sen; Du, Miao","Tracking the Superefficient Anion Exchange of a Dynamic Porous Material Constructed by Ag(I) Nitrate and Tripyridyltriazole via Multistep Single-Crystal to Single-Crystal Transformations.","ACS applied materials & interfaces","2017","9","8","7202","7208","10.1021/acsami.6b16757","","","0.71073","MoKα","","0.0838","0.068","","","0.1933","0.2161","","","","","","1.045","","","","has coordinates,has disorder","193394","2020-10-21","18:00:00",""
"4514045","10.263","0.0005","14.9415","0.0007","14.3242","0.0008","90","","103.092","0.005","90","","2139.45","0.19","294","2","294","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C18 H13.5 Ag Mn N6.5 O4 -","- C18 H13.5 Ag Mn N6.5 O4 -","- C72 H54 Ag4 Mn4 N26 O16 -","4","1","","Li, Cheng-Peng; Liu, Bo-Lan; Wang, Lei; Liu, Yue; Tian, Jia-Yue; Liu, Chun-Sen; Du, Miao","Tracking the Superefficient Anion Exchange of a Dynamic Porous Material Constructed by Ag(I) Nitrate and Tripyridyltriazole via Multistep Single-Crystal to Single-Crystal Transformations.","ACS applied materials & interfaces","2017","9","8","7202","7208","10.1021/acsami.6b16757","","","0.71073","MoKα","","0.1009","0.0737","","","0.214","0.231","","","","","","1.077","","","","has coordinates","193394","2020-10-21","18:00:00",""
"4514046","9.3008","0.0003","18.1909","0.0003","11.4385","0.0003","90","","108.077","0.003","90","","1839.75","0.09","294","2","294","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C17 H12 Ag Mn N6 O4 -","- C17 H12 Ag Mn N6 O4 -","- C68 H48 Ag4 Mn4 N24 O16 -","4","1","","Li, Cheng-Peng; Liu, Bo-Lan; Wang, Lei; Liu, Yue; Tian, Jia-Yue; Liu, Chun-Sen; Du, Miao","Tracking the Superefficient Anion Exchange of a Dynamic Porous Material Constructed by Ag(I) Nitrate and Tripyridyltriazole via Multistep Single-Crystal to Single-Crystal Transformations.","ACS applied materials & interfaces","2017","9","8","7202","7208","10.1021/acsami.6b16757","","","0.71073","MoKα","","0.0433","0.0334","","","0.0694","0.0749","","","","","","1.08","","","","has coordinates","193394","2020-10-21","18:00:00",""
"4514047","8.21844","0.00015","8.23048","0.00015","18.9666","0.0004","86.5438","0.0007","88.8447","0.0007","67.9519","0.0007","1186.94","0.04","103","","103","","","","","","","","","4","P -1","-P 1","2","","","","- C58 H62 N4 Si2 -","- C58 H62 N4 Si2 -","- C58 H62 N4 Si2 -","1","0.5","","Takahashi, Kohtaro; Shan, Bowen; Xu, Xiaomin; Yang, Shuaijun; Koganezawa, Tomoyuki; Kuzuhara, Daiki; Aratani, Naoki; Suzuki, Mitsuharu; Miao, Qian; Yamada, Hiroko","Engineering Thin Films of a Tetrabenzoporphyrin toward Efficient Charge-Carrier Transport: Selective Formation of a Brickwork Motif.","ACS applied materials & interfaces","2017","","","","","10.1021/acsami.6b13988","","","0.71075","MoKα","","","0.0416","","","","0.1126","","","","","","1.144","","","","has coordinates","192783","2020-10-21","18:00:00",""
"4514048","22.5768","0.0011","8.5784","0.0002","12.0175","0.0006","90","","121.047","0.006","90","","1994.04","0.19","105.1","","105.1","","","","","","","","","4","C 1 2 1","C 2y","5","","","","- C21 H26 N2 O5 -","- C21 H26 N2 O5 -","- C84 H104 N8 O20 -","4","1","","Chen, Xiaohong; Yang, Shujing; Li, Helong; Wang, Bo; Song, Guoyong","Enantioselective C‒H Annulation of Indoles with Diazo Compounds through a Chiral Rh(III) Catalyst","ACS Catalysis","2017","","","2392","","10.1021/acscatal.7b00104","","","1.5418","CuKα","","0.0375","0.0366","","","0.0928","0.0939","","","","","","1.035","","","","has coordinates","192784","2020-10-21","18:00:00",""
"4514049","16.704","0.005","19.21","0.005","18.532","0.005","90","","107.071","0.005","90","","5685","3","296","2","296","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C37 H32 Cd2 N5 O11 -","- C37 H32 Cd2 N5 O11 -","- C148 H128 Cd8 N20 O44 -","4","1","","Hong, Xu-Jia; Wei, Qin; Cai, Yue-Peng; Zheng, Sheng-Run; Yu, Ying; Fan, Yan-Zhong; Xu, Xian-Yan; Si, Li-Ping","2-Fold Interpenetrating Bifunctional Cd-Metal-Organic Frameworks: Highly Selective Adsorption for CO2 and Sensitive Luminescent Sensing of Nitro Aromatic 2,4,6-Trinitrophenol.","ACS applied materials & interfaces","2017","9","5","4701","4708","10.1021/acsami.6b14051","","","0.71073","MoKα","","0.0797","0.045","","","0.1118","0.1267","","","","","","0.976","","","","has coordinates","192842","2020-10-21","18:00:00",""
"4514050","19.453","0.0007","11.3613","0.0007","15.2963","0.0009","90","","115.636","0.002","90","","3047.9","0.3","296","2","296","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C28 H28 Mn2 N8 O13 -","- C28 H28 Mn2 N8 O13 -","- C112 H112 Mn8 N32 O52 -","4","0.5","","Gong, Teng; Yang, Xiao; Fang, Jia-Jia; Sui, Qi; Xi, Fu-Gui; Gao, En-Qing","Distinct Chromic and Magnetic Properties of Metal-Organic Frameworks with a Redox Ligand.","ACS applied materials & interfaces","2017","9","6","5503","5512","10.1021/acsami.6b15540","","","0.71073","MoKα","","0.0431","0.0366","","","0.1002","0.1048","","","","","","1.088","","","","has coordinates","192843","2020-10-21","18:00:00",""
"4514051","12.37","0.0004","45.6483","0.0014","12.6634","0.0004","90","","97.6938","0.0009","90","","7086.3","0.4","100","2","100","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C44 H30 F5 N2 P -","- C44 F5 N2 P -","- C88 F10 N4 P2 -","2","1","","Paioti, Paulo H. S.; Abboud, Khalil A.; Aponick, Aaron","Incorporation of Axial Chirality into Phosphino-Imidazoline Ligands for Enantioselective Catalysis","ACS Catalysis","2017","7","3","2133","","10.1021/acscatal.7b00133","","","0.71073","MoKα","","0.0551","0.0403","","","0.0835","0.0873","","","","","","0.959","","","","has coordinates","256620","2020-10-21","18:00:00",""
"4514052","15.3662","0.0017","16.9466","0.0019","27.676","0.003","90","","92.693","0.002","90","","7199","1.4","296","2","296","2","","","","","","","","8","P 1 21/c 1","-P 2ybc","14","","","","- C78 H65 Br0.69 Cl0.31 F6 P5 Pd3 Sb -","- C78 H65 Br0.69 Cl0.31 F6 P5 Pd3 Sb -","- C312 H260 Br2.76 Cl1.24 F24 P20 Pd12 Sb4 -","4","1","","Fu, Fangyu; Xiang, Ji; Cheng, Hao; Cheng, Longjiu; Chong, Hanbao; Wang, Shuxin; Li, Peng; Wei, Shiqiang; Zhu, Manzhou; Li, Yadong","A Robust and Efficient Pd3 Cluster Catalyst for the Suzuki Reaction and Its Odd Mechanism","ACS Catalysis","2017","7","3","1860","","10.1021/acscatal.6b02527","","","0.71073","MoKα","","0.0839","0.0455","","","0.1137","0.1319","","","","","","0.996","","","","has coordinates,has disorder","192845","2020-10-21","18:00:00",""
"4514053","9.93","0.002","14.88","0.003","15.29","0.003","91","0.03","91.6","0.03","98.1","0.03","2235.3","0.8","150","2","150","2","","","","","","","","7","P -1","-P 1","2","","","","- C50 H64 B Ge N O3 Si -","- C50 H64 B Ge N O3 Si -","- C100 H128 B2 Ge2 N2 O6 Si2 -","2","1","","Hadlington, Terrance J.; Kefalidis, Christos E.; Maron, Laurent; Jones, Cameron","Efficient Reduction of Carbon Dioxide to Methanol Equivalents Catalyzed by Two-Coordinate Amido‒Germanium(II) and −Tin(II) Hydride Complexes","ACS Catalysis","2017","7","3","1853","","10.1021/acscatal.6b03306","","","0.71073","MoKα","","0.0712","0.0671","","","0.1708","0.1733","","","","","","1.082","","","","has coordinates,has disorder","192846","2020-10-21","18:00:00",""
"4514054","31.052","0.002","19.593","0.002","17.8613","0.0016","90","","105.933","0.006","90","","10449.4","1.6","123","2","123","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C101 H134 Ge2 N2 O2 Si2 -","- C95 H120 Ge2 N2 O2 Si2 -","- C380 H480 Ge8 N8 O8 Si8 -","4","0.5","","Hadlington, Terrance J.; Kefalidis, Christos E.; Maron, Laurent; Jones, Cameron","Efficient Reduction of Carbon Dioxide to Methanol Equivalents Catalyzed by Two-Coordinate Amido‒Germanium(II) and −Tin(II) Hydride Complexes","ACS Catalysis","2017","7","3","1853","","10.1021/acscatal.6b03306","","","0.71073","MoKα","","0.2303","0.0842","","","0.161","0.1989","","","","","","0.786","","","","has coordinates","192847","2020-10-21","18:00:00",""
"4514055","10.9061","0.0007","12.6404","0.0008","28.3159","0.0018","90","","90","","90","","3903.6","0.4","296","2","296","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C38 H36 N2 O5 S2 -","- C38 H36 N2 O5 S2 -","- C152 H144 N8 O20 S8 -","4","1","","Feng, Jian-Jun; Zhang, Junliang","Rhodium-Catalyzed Stereoselective Intramolecular Tandem Reaction of Vinyloxiranes with Alkynes: Atom- and Step-Economical Synthesis of Multifunctional Mono-, Bi-, and Tricyclic Compounds","ACS Catalysis","2017","7","3","1533","","10.1021/acscatal.6b03399","","","0.71073","MoKα","","0.0705","0.0499","","","0.1394","0.1485","","","","","","1.108","","","","has coordinates","192848","2020-10-21","18:00:00",""
"4514056","8.1166","0.0005","13.77","0.0008","15.4267","0.0009","90","","90","","90","","1724.17","0.18","296","2","296","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C17 H21 N O3 S -","- C17 H21 N O3 S -","- C68 H84 N4 O12 S4 -","4","1","","Feng, Jian-Jun; Zhang, Junliang","Rhodium-Catalyzed Stereoselective Intramolecular Tandem Reaction of Vinyloxiranes with Alkynes: Atom- and Step-Economical Synthesis of Multifunctional Mono-, Bi-, and Tricyclic Compounds","ACS Catalysis","2017","7","3","1533","","10.1021/acscatal.6b03399","","","0.71073","MoKα","","0.0498","0.0358","","","0.0875","0.0956","","","","","","1.069","","","","has coordinates","192849","2020-10-21","18:00:00",""
"4514057","30.3732","0.0014","11.6836","0.0006","7.6516","0.0004","90","","90","","90","","2715.3","0.2","100","","100","","","","","","","","","6","P n a 21","P 2c -2n","33","","","","- C25 H44 Mn N O3 P2 -","- C25 H44 Mn N O3 P2 -","- C100 H176 Mn4 N4 O12 P8 -","4","1","","Nguyen, Duc Hanh; Trivelli, Xavier; Capet, Frédéric; Paul, Jean-François; Dumeignil, Franck; Gauvin, Régis M.","Manganese Pincer Complexes for the Base-Free, Acceptorless Dehydrogenative Coupling of Alcohols to Esters: Development, Scope, and Understanding","ACS Catalysis","2017","7","3","2022","","10.1021/acscatal.6b03554","","","0.71073","MoKα","","0.0386","0.0299","","","0.0575","0.0602","","","","","","1.038","","","","has coordinates","192850","2020-10-21","18:00:00",""
"4514058","17.2037","0.0018","14.6522","0.0017","19.066","0.002","90","","90","","90","","4806","0.9","299.72","","299.72","","","","","","","","","7","P b c a","-P 2ac 2ab","61","","","","- C18 H41 B Mn N O2 P2 -","- C18 H41 B Mn N O2 P2 -","- C144 H328 B8 Mn8 N8 O16 P16 -","8","1","","Nguyen, Duc Hanh; Trivelli, Xavier; Capet, Frédéric; Paul, Jean-François; Dumeignil, Franck; Gauvin, Régis M.","Manganese Pincer Complexes for the Base-Free, Acceptorless Dehydrogenative Coupling of Alcohols to Esters: Development, Scope, and Understanding","ACS Catalysis","2017","7","3","2022","","10.1021/acscatal.6b03554","","","0.71073","MoKα","","0.0563","0.0357","","","0.0875","0.0988","","","","","","1.015","","","","has coordinates","192850","2020-10-21","18:00:00",""
"4514059","10.6335","0.0008","14.5777","0.0011","13.8441","0.001","90","","97.449","0.004","90","","2127.9","0.3","100","","100","","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C18 H38 Mn N O2 P2 -","- C18 H38 Mn N O2 P2 -","- C72 H152 Mn4 N4 O8 P8 -","4","1","","Nguyen, Duc Hanh; Trivelli, Xavier; Capet, Frédéric; Paul, Jean-François; Dumeignil, Franck; Gauvin, Régis M.","Manganese Pincer Complexes for the Base-Free, Acceptorless Dehydrogenative Coupling of Alcohols to Esters: Development, Scope, and Understanding","ACS Catalysis","2017","7","3","2022","","10.1021/acscatal.6b03554","","","0.71073","MoKα","","0.0596","0.0352","","","0.0718","0.079","","","","","","1.019","","","","has coordinates","192850","2020-10-21","18:00:00",""
"4514060","9.6075","0.0011","10.9191","0.0013","17.624","0.002","96.565","0.002","105.405","0.002","103.759","0.002","1699.9","0.3","100","2","100","2","","","","","","","","6","P -1","-P 1","2","(dppf)Ni(I)Br","","","- C40 H34 Br Fe Ni P2 -","- C40 H34 Br Fe Ni P2 -","- C80 H68 Br2 Fe2 Ni2 P4 -","2","1","","Kalvet, Indrek; Guo, Qianqian; Tizzard, Graham J.; Schoenebeck, Franziska","When Weaker Can Be Tougher: The Role of Oxidation State (I) in P- vs N-Ligand-Derived Ni-Catalyzed Trifluoromethylthiolation of Aryl Halides.","ACS catalysis","2017","7","3","2126","2132","10.1021/acscatal.6b03344","","","0.71073","MoKα","","0.0541","0.0383","","","0.0812","0.0872","","","","","","1.009","","","","has coordinates","194774","2020-10-21","18:00:00",""
"4514061","23.6771","0.0005","13.9547","0.0003","19.1841","0.0004","90","","90.394","0.002","90","","6338.4","0.2","100","2","100","2","","","","","","","","7","C 1 2/c 1","-C 2yc","15","","","","- C72 H64 Fe2 I2 Ni2 O P4 -","- C72 H64 Fe2 I2 Ni2 O P4 -","- C288 H256 Fe8 I8 Ni8 O4 P16 -","4","0.5","","Kalvet, Indrek; Guo, Qianqian; Tizzard, Graham J.; Schoenebeck, Franziska","When Weaker Can Be Tougher: The Role of Oxidation State (I) in P- vs N-Ligand-Derived Ni-Catalyzed Trifluoromethylthiolation of Aryl Halides.","ACS catalysis","2017","7","3","2126","2132","10.1021/acscatal.6b03344","","x-ray","0.71075","MoKα","","0.0609","0.0395","","","0.0735","0.0798","","","","","","1.017","","","","has coordinates,has disorder","194774","2020-10-21","18:00:00",""
"4514062","7.3719","0.0003","8.0356","0.0003","12.4786","0.0005","82.255","0.002","78.93","0.002","86.099","0.002","718.16","0.05","173","","173","","","","","","","","","4","P -1","-P 1","2","","","","- C18 H17 N O2 -","- C18 H17 N O2 -","- C36 H34 N2 O4 -","2","1","","Wu, Xiaowei; Wang, Bao; Zhou, Shengbin; Zhou, Yu; Liu, Hong","Ruthenium-Catalyzed Redox-Neutral [4 + 1] Annulation of Benzamides and Propargyl Alcohols via C‒H Bond Activation","ACS Catalysis","2017","7","4","2494","","10.1021/acscatal.7b00031","","","0.71073","MoKα","","0.0462","0.0416","","","0.1209","0.1264","","","","","","1.07","","","","has coordinates","196108","2020-10-21","18:00:00",""
"4514063","14.191","0.0005","14.4097","0.0005","18.8529","0.0006","90","","90.638","0.002","90","","3855","0.2","223","2","223","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","hhy3-51","","","- C30 H64 Br2 P2 Pd2 -","- C30 H64 Br2 P2 Pd2 -","- C120 H256 Br8 P8 Pd8 -","4","1","","Hu, Huaiyuan; Qu, Fengrui; Gerlach, Deidra L.; Shaughnessy, Kevin H.","Mechanistic Study of the Role of Substrate Steric Effects and Aniline Inhibition on the Bis(trineopentylphosphine)palladium(0)-Catalyzed Arylation of Aniline Derivatives","ACS Catalysis","2017","7","4","2516","","10.1021/acscatal.7b00024","","","0.71073","MoKα","","0.0453","0.0316","","","0.0727","0.0796","","","","","","1.032","","","","has coordinates,has disorder","196106","2020-10-21","18:00:00",""
"4514064","9.5914","0.0003","12.2401","0.0003","13.6152","0.0004","114.515","0.001","94.093","0.001","92.143","0.001","1446.66","0.07","173","2","173","2","","","","","","","","6","P -1","-P 1","2","","","","- C48 H88 Br2 Cl4 P2 Pd2 -","- C48.0014 H88.0028 Br2 Cl4.0028 P2 Pd2 -","- C48.0014 H88.0028 Br2 Cl4.0028 P2 Pd2 -","1","0.5","","Hu, Huaiyuan; Qu, Fengrui; Gerlach, Deidra L.; Shaughnessy, Kevin H.","Mechanistic Study of the Role of Substrate Steric Effects and Aniline Inhibition on the Bis(trineopentylphosphine)palladium(0)-Catalyzed Arylation of Aniline Derivatives","ACS Catalysis","2017","7","4","2516","","10.1021/acscatal.7b00024","","","0.71073","MoKα","","0.0363","0.025","","","0.0581","0.0623","","","","","","1.016","","","","has coordinates,has disorder","196106","2020-10-21","18:00:00",""
"4514065","5.4841","0.0001","12.2105","0.0003","12.4889","0.0003","63.407","0.002","84.94","0.002","89.691","0.002","744.37","0.03","93","","93","","","","","","","","","4","P -1","-P 1","2","","","","- C18 H10 O3 S2 -","- C18 H10 O3 S2 -","- C36 H20 O6 S4 -","2","1","","Ogawa, Yuta; Yamamoto, Kazuhiro; Miura, Chiyo; Tamura, Shigeki; Saito, Mitsuki; Mamada, Masashi; Kumaki, Daisuke; Tokito, Shizuo; Katagiri, Hiroshi","Asymmetric Alkylthienyl Thienoacenes Derived from Anthra[2,3-b]thieno[2,3-d]thiophene for Solution-Processable Organic Semiconductors.","ACS applied materials & interfaces","2017","9","11","9902","9909","10.1021/acsami.6b15793","","","0.71073","MoKα","","0.0349","0.0339","","","0.1032","0.1045","","","","","","1.117","","","","has coordinates","194773","2020-10-21","18:00:00",""
"4514066","8.2446","0.0003","18.1585","0.0006","10.6143","0.0005","90","","99.541","0.004","90","","1567.08","0.11","150.03","0.1","150.03","0.1","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C18 H19 N3 O2 -","- C18 H19 N3 O2 -","- C72 H76 N12 O8 -","4","1","","Leitch, Jamie A.; McMullin, Claire L.; Mahon, Mary F.; Bhonoah, Yunas; Frost, Christopher G.","Remote C6-Selective Ruthenium-Catalyzed C‒H Alkylation of Indole Derivatives via σ-Activation","ACS Catalysis","2017","","","2616","","10.1021/acscatal.7b00038","","x-ray","0.71073","MoKα","","0.06","0.0465","","","0.1012","0.1082","","","","","","1.045","","","","has coordinates","194297","2020-10-21","18:00:00",""
"4514067","7.2094","0.0003","12.0942","0.0005","13.0064","0.0006","106.921","0.004","90.76","0.004","95.278","0.003","1079.4","0.08","150.01","0.1","150","0.1","","","","","","","","4","P -1","-P 1","2","","","","- C24 H29 N3 O4 -","- C24 H29 N3 O4 -","- C48 H58 N6 O8 -","2","1","","Leitch, Jamie A.; McMullin, Claire L.; Mahon, Mary F.; Bhonoah, Yunas; Frost, Christopher G.","Remote C6-Selective Ruthenium-Catalyzed C‒H Alkylation of Indole Derivatives via σ-Activation","ACS Catalysis","2017","","","2616","","10.1021/acscatal.7b00038","","","1.54184","CuKα","","0.0426","0.0383","","","0.0977","0.1011","","","","","","1.03","","","","has coordinates,has disorder","194297","2020-10-21","18:00:00",""
"4514068","8.1462","0.0003","9.4252","0.0004","13.2617","0.0006","104.796","0.004","102.654","0.004","103.208","0.004","915.85","0.08","103","2","103","2","","","","","","","","5","P -1","-P 1","2","","","","- C23 H18 N2 O3 S -","- C23 H18 N2 O3 S -","- C46 H36 N4 O6 S2 -","2","1","","Li, Jun-Ming; Wang, Yong-Heng; Yu, Yang; Wu, Rui-Bo; Weng, Jiang; Lu, Gui","Copper-Catalyzed Remote C‒H Functionalizations of Naphthylamides through a Coordinating Activation Strategy and Single-Electron-Transfer (SET) Mechanism","ACS Catalysis","2017","","","2661","","10.1021/acscatal.6b03671","","x-ray","1.54184","CuKα","","0.0335","0.0323","","","0.0864","0.0874","","","","","","1.0605","","","","has coordinates","194327","2020-10-21","18:00:00",""
"4514069","11.406","0.0015","12.0431","0.0015","13.804","0.002","89.519","0.006","88.399","0.006","75.619","0.006","1836","0.4","123","2","123","2","","","","","","","","4","P -1","-P 1","2","","","","- C49 H40 N2 O4 -","- C49 H40 N2 O4 -","- C98 H80 N4 O8 -","2","1","","Uraguchi, Daisuke; Torii, Masahiro; Ooi, Takashi","Acridinium Betaine as a Single-Electron-Transfer Catalyst: Design and Application to Dimerization of Oxindoles","ACS Catalysis","2017","","","","","10.1021/acscatal.7b00265","","","0.71075","MoKα","","0.0458","0.0376","","","0.1044","0.1072","","","","","","1.079","","","","has coordinates","194428","2020-10-21","18:00:00",""
"4514070","15.083","0.002","14.7314","0.0019","26.284","0.004","90","","90","","90","","5840.1","1.4","123","2","123","2","","","","","","","","5","P b c n","-P 2n 2ab","60","","","","- C38 H29 F3 N O -","- C38 H29 F3 N O -","- C304 H232 F24 N8 O8 -","8","1","","Uraguchi, Daisuke; Torii, Masahiro; Ooi, Takashi","Acridinium Betaine as a Single-Electron-Transfer Catalyst: Design and Application to Dimerization of Oxindoles","ACS Catalysis","2017","","","","","10.1021/acscatal.7b00265","","","0.71075","MoKα","","0.0618","0.0489","","","0.1163","0.1188","","","","","","0.913","","","","has coordinates","194429","2020-10-21","18:00:00",""
"4514071","9.5611","0.0008","9.7674","0.0007","44.019","0.003","90","","90","","90","","4110.8","0.5","100","2","100","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C25 H19 Br N2 O2 -","- C25 H19 Br N2 O2 -","- C200 H152 Br8 N16 O16 -","8","2","","Wang, Shoulei; Izquierdo, Javier; Rodríguez-Escrich, Carles; Pericàs, Miquel A.","Asymmetric [4 + 2] Annulation Reactions Catalyzed by a Robust, Immobilized Isothiourea","ACS Catalysis","2017","7","4","2780","","10.1021/acscatal.7b00360","","","0.71073","MoKα","","0.0775","0.0567","","","0.1386","0.151","","","","","","1.033","","","","has coordinates","196109","2020-10-21","18:00:00",""
"4514072","6.2831","0.0005","10.506","0.0007","28.682","0.002","90","","90","","90","","1893.3","0.2","100","2","100","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C24 H17 N O2 S -","- C24 H17 N O2 S -","- C96 H68 N4 O8 S4 -","4","1","","Wang, Shoulei; Izquierdo, Javier; Rodríguez-Escrich, Carles; Pericàs, Miquel A.","Asymmetric [4 + 2] Annulation Reactions Catalyzed by a Robust, Immobilized Isothiourea","ACS Catalysis","2017","7","4","2780","","10.1021/acscatal.7b00360","","","0.71073","MoKα","","0.0658","0.049","","","0.1051","0.1107","","","","","","1.105","","","","has coordinates","196109","2020-10-21","18:00:00",""
"4514073","17.1283","0.0011","9.2992","0.0004","18.9173","0.0005","90","","90","","90","","3013.1","0.2","293","2","293","2","","","","","","","","4","P b c n","-P 2n 2ab","60","","","","- C38 H27 N5 O2 -","- C38 H27 N5 O2 -","- C152 H108 N20 O8 -","4","0.5","","Du, Cong; Li, Peng-Xiang; Zhu, Xinju; Han, Jiao-Na; Niu, Jun-Long; Song, Mao-Ping","Cobalt-Catalyzed Oxidative C-H/N-H Cross-Coupling: Selective and Facile Access to Triarylamines","ACS Catalysis","2017","","","","","10.1021/acscatal.7b00262","","x-ray","1.54184","CuKα","","0.0494","0.04","","","0.1056","0.1147","","","","","","1.037","","","","has coordinates","194482","2020-10-21","18:00:00",""
"4514074","12.2327","0.0004","13.1901","0.0004","24.1763","0.0008","90","","103.838","0.003","90","","3787.6","0.2","293","2","293","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C45 H33 Cl2 Co N6 O2 -","- C45 H33 Cl2 Co N6 O2 -","- C180 H132 Cl8 Co4 N24 O8 -","4","1","","Du, Cong; Li, Peng-Xiang; Zhu, Xinju; Han, Jiao-Na; Niu, Jun-Long; Song, Mao-Ping","Cobalt-Catalyzed Oxidative C-H/N-H Cross-Coupling: Selective and Facile Access to Triarylamines","ACS Catalysis","2017","","","","","10.1021/acscatal.7b00262","","x-ray","0.71073","MoKα","","0.0794","0.0592","","","0.1543","0.171","","","","","","1.037","","","","has coordinates,has disorder","194482","2020-10-21","18:00:00",""
"4514075","9.7913","0.0005","13.4826","0.0007","14.3591","0.0007","103.936","0.001","97.168","0.001","101.758","0.001","1770.77","0.16","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C43 H37 F2 Ir N4 -","- C43 H37 F2 Ir N4 -","- C86 H74 F4 Ir2 N8 -","2","1","","Li, Guomeng; Li, Ping; Zhuang, Xuming; Ye, Kaiqi; Liu, Yu; Wang, Yue","Rational Design and Characterization of Heteroleptic Phosphorescent Complexes for Highly Efficient Deep-Red Organic Light-Emitting Devices.","ACS applied materials & interfaces","2017","9","13","11749","11758","10.1021/acsami.7b00348","","","0.71073","MoKα","","0.0266","0.0236","","","0.0562","0.0574","","","","","","1.003","","","","has coordinates","196104","2020-10-21","18:00:00",""
"4514076","20.707","0.0003","20.707","0.0003","66.9823","0.001","90","","90","","90","","28720.7","0.7","100","2","100","2","","","","","","","","4","I 41/a m d :2","-I 4bd 2","141","","","","- C46 H26 O16 Zr3 -","- C46 H26 O16 Zr3 -","- C368 H208 O128 Zr24 -","8","0.25","","Wang, Bin; Yang, Qi; Guo, Chao; Sun, Yuxiu; Xie, Lin-Hua; Li, Jian-Rong","Stable Zr(IV)-Based Metal-Organic Frameworks with Predesigned Functionalized Ligands for Highly Selective Detection of Fe(III) Ions in Water.","ACS applied materials & interfaces","2017","9","11","10286","10295","10.1021/acsami.7b00918","","","1.54178","CuKα","","0.1592","0.102","","","0.2879","0.3244","","","","","","0.996","","","","has coordinates","194660","2020-10-21","18:00:00",""
"4514077","20.6568","0.0003","20.6568","0.0003","66.6868","0.0014","90","","90","","90","","28455.5","0.8","100","0.1","100","0.1","","","","","","","","5","I 41/a m d :2","-I 4bd 2","141","","","","- C44 H24 N2 O16 Zr3 -","- C44 H24 N2 O16 Zr3 -","- C352 H192 N16 O128 Zr24 -","8","0.25","","Wang, Bin; Yang, Qi; Guo, Chao; Sun, Yuxiu; Xie, Lin-Hua; Li, Jian-Rong","Stable Zr(IV)-Based Metal-Organic Frameworks with Predesigned Functionalized Ligands for Highly Selective Detection of Fe(III) Ions in Water.","ACS applied materials & interfaces","2017","9","11","10286","10295","10.1021/acsami.7b00918","","","1.54178","CuKα","","0.0707","0.0455","","","0.1234","0.132","","","","","","0.87","","","","has coordinates","194660","2020-10-21","18:00:00",""
"4514078","7.388","0.01","9.215","0.013","24.53","0.03","90","","90","","90","","1670","4","298","2","298.15","","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C18 H0.25 N O6 -","- C18 H17 N O6 -","- C72 H68 N4 O24 -","4","1","","Xing, Pengyao; Li, Peizhou; Chen, Hongzhong; Hao, Aiyou; Zhao, Yanli","Understanding Pathway Complexity of Organic Micro/Nanofiber Growth in Hydrogen-Bonded Coassembly of Aromatic Amino Acids.","ACS nano","2017","11","4","4206","4216","10.1021/acsnano.7b01161","","","0.71073","MoKα","","0.0766","0.0478","","","0.1306","0.1652","","","","","","1.051","","","","has coordinates","196110","2020-10-21","18:00:00",""
"4514079","16.3481","0.0011","27.8153","0.0019","4.8516","0.0003","90","","90","","90","","2206.2","0.3","293","2","293","2","","","","","","","","4","P 1 1 a","P -2a","7","","","","- C20 H25 N7 O6 -","- C20 H25 N7 O6 -","- C80 H100 N28 O24 -","4","2","","Xing, Pengyao; Li, Peizhou; Chen, Hongzhong; Hao, Aiyou; Zhao, Yanli","Understanding Pathway Complexity of Organic Micro/Nanofiber Growth in Hydrogen-Bonded Coassembly of Aromatic Amino Acids.","ACS nano","2017","11","4","4206","4216","10.1021/acsnano.7b01161","","","1.54184","CuKα","","0.2163","0.1658","","","0.4319","0.4784","","","","","","1.053","","","","has coordinates","250444","2020-10-21","18:00:00",""
"4514080","12.47076","0.00008","21.63215","0.00013","13.10657","0.00008","90","","99.47","0.0006","90","","3487.57","0.04","100","0.3","100","0.3","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C38 H52 N2 O2 Pd -","- C38 H52 N2 O2 Pd -","- C152 H208 N8 O8 Pd4 -","4","1","","Kim, Jaewoon; Hong, Soon Hyeok","Ligand-Promoted Direct C‒H Arylation of Simple Arenes: Evidence for a Cooperative Bimetallic Mechanism","ACS Catalysis","2017","7","5","3336","","10.1021/acscatal.7b00397","","x-ray","1.54184","CuKα","","0.0259","0.0247","","","0.0608","0.0616","","","","","","1.03","","","","has coordinates","197385","2020-10-21","18:00:00",""
"4514081","10.7476","0.0001","15.4502","0.0002","35.31","0.0006","90","","90","","90","","5863.32","0.14","149.99","0.1","149.99","0.1","","","","","","","","6","P b c a","-P 2ac 2ab","61","","","","- C30 H26 F6 Ir N6 P -","- C30 H26 F6 Ir N6 P -","- C240 H208 F48 Ir8 N48 P8 -","8","1","","Chen, Mu-He; Wang, Fang-Xin; Cao, Jian-Jun; Tan, Cai-Ping; Ji, Liang-Nian; Mao, Zong-Wan","Light-Up Mitophagy in Live Cells with Dual-Functional Theranostic Phosphorescent Iridium(III) Complexes.","ACS applied materials & interfaces","2017","9","15","13304","13314","10.1021/acsami.7b01735","","","1.54178","CuKα","","0.0324","0.0289","","","0.069","0.0707","","","","","","1.091","","","","has coordinates","196105","2020-10-21","18:00:00",""
"4514082","10.9606","0.0007","15.2789","0.0012","34.871","0.002","90","","90","","90","","5839.7","0.7","285.94","0.1","285.94","0.1","","","","","","","","7","P b c a","-P 2ac 2ab","61","","","","- C26 H22 F6 Ir N6 P S2 -","- C26 H22 F6 Ir N6 P S2 -","- C208 H176 F48 Ir8 N48 P8 S16 -","8","1","","Chen, Mu-He; Wang, Fang-Xin; Cao, Jian-Jun; Tan, Cai-Ping; Ji, Liang-Nian; Mao, Zong-Wan","Light-Up Mitophagy in Live Cells with Dual-Functional Theranostic Phosphorescent Iridium(III) Complexes.","ACS applied materials & interfaces","2017","9","15","13304","13314","10.1021/acsami.7b01735","","","1.54178","CuKα","","0.0304","0.0251","","","0.0601","0.0646","","","","","","1.054","","","","has coordinates","196105","2020-10-21","18:00:00",""
"4514083","6.3295","0.001","12.336","0.002","14.619","0.002","90.792","0.01","95.813","0.009","96.114","0.01","1128.8","0.3","100","","100","","","","","","","","","4","P -1","-P 1","2","","","","- C28 H29 N O3 -","- C28 H29 N O3 -","- C56 H58 N2 O6 -","2","1","","Esguerra, Kenneth Virgel N.; Lumb, Jean-Philip","A Bioinspired Catalytic Aerobic Functionalization of Phenols: Regioselective Construction of Aromatic C‒N and C‒O Bonds","ACS Catalysis","2017","7","5","3477","","10.1021/acscatal.7b00437","","x-ray","1.34139","GaKα","","0.1209","0.0746","","","0.188","0.219","","","","","","1.031","","","","has coordinates","197387","2020-10-21","18:00:00",""
"4514084","9.7185","0.0003","15.9184","0.0004","15.9702","0.0004","88.541","0.001","87.598","0.001","85.097","0.001","2458.84","0.12","100","","100","","","","","","","","","4","P -1","-P 1","2","","","","- C33 H25 N O4 -","- C33 H25 N O4 -","- C132 H100 N4 O16 -","4","2","","Esguerra, Kenneth Virgel N.; Lumb, Jean-Philip","A Bioinspired Catalytic Aerobic Functionalization of Phenols: Regioselective Construction of Aromatic C‒N and C‒O Bonds","ACS Catalysis","2017","7","5","3477","","10.1021/acscatal.7b00437","","x-ray","1.34139","GaKα","","0.0525","0.0484","","","0.1216","0.1245","","","","","","1.106","","","","has coordinates","197387","2020-10-21","18:00:00",""
"4514085","10.0098","0.0005","19.235","0.001","13.3175","0.0007","90","","91.572","0.002","90","","2563.2","0.2","100","","100","","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C34 H23 F2 N O5 -","- C34 H23 F2 N O5 -","- C136 H92 F8 N4 O20 -","4","2","","Esguerra, Kenneth Virgel N.; Lumb, Jean-Philip","A Bioinspired Catalytic Aerobic Functionalization of Phenols: Regioselective Construction of Aromatic C‒N and C‒O Bonds","ACS Catalysis","2017","7","5","3477","","10.1021/acscatal.7b00437","","x-ray","1.34139","GaKα","","0.0465","0.0462","","","0.1216","0.1219","","","","","","1.08","","","","has coordinates","197387","2020-10-21","18:00:00",""
"4514086","18.1055","0.0003","13.5482","0.0002","18.3545","0.0003","90","","90.949","0.002","90","","4501.69","0.12","293","2","293","2","","","","","","","","7","C 1 2/c 1","-C 2yc","15","","","","- C21 H15 F6 N3 O4 P Re -","- C21 H15 F6 N3 O4 P Re -","- C168 H120 F48 N24 O32 P8 Re8 -","8","1","","Yang, Jing; Zhao, Ji-Xian; Cao, Qian; Hao, Liang; Zhou, Danxia; Gan, Zhenji; Ji, Liang-Nian; Mao, Zong-Wan","Simultaneously Inducing and Tracking Cancer Cell Metabolism Repression by Mitochondria-Immobilized Rhenium(I) Complex.","ACS applied materials & interfaces","2017","","","","","10.1021/acsami.7b01764","","","1.54178","CuKα","","0.0407","0.0322","","","0.0773","0.0839","","","","","","1.059","","","","has coordinates","195623","2020-10-21","18:00:00",""
"4514087","18.1055","0.0003","13.5482","0.0002","18.3545","0.0003","90","","90.949","0.002","90","","4501.69","0.12","290","2","290","2","","","","","","","","8","C 1 2/c 1","-C 2yc","15","","","","- C21 H14 Cl F6 N3 O3 P Re -","- C21 H14 Cl F6 N3 O3 P Re -","- C168 H112 Cl8 F48 N24 O24 P8 Re8 -","8","1","","Yang, Jing; Zhao, Ji-Xian; Cao, Qian; Hao, Liang; Zhou, Danxia; Gan, Zhenji; Ji, Liang-Nian; Mao, Zong-Wan","Simultaneously Inducing and Tracking Cancer Cell Metabolism Repression by Mitochondria-Immobilized Rhenium(I) Complex.","ACS applied materials & interfaces","2017","","","","","10.1021/acsami.7b01764","","","1.54178","CuKα","","0.0537","0.0453","","","0.1243","0.1337","","","","","","1.06","","","","has coordinates","195624","2020-10-21","18:00:00",""
"4514088","9.5075","0.0004","10.8348","0.0005","16.6081","0.0007","106.325","0.0005","95.4554","0.0005","92.1864","0.0005","1630.65","0.12","100","2","100","2","","","","","","","","7","P -1","-P 1","2","","","","- C33 H28 Au F6 N3 P2 S -","- C33 H28 Au F6 N3 P2 S -","- C66 H56 Au2 F12 N6 P4 S2 -","2","1","","Pérez, Sergio A; de Haro, Concepción; Vicente, Consuelo; Donaire, Antonio; Zamora, Ana; Zajac, Juraj; Kostrhunova, Hana; Brabec, Viktor; Bautista, Delia; Ruiz, José","New Acridine Thiourea Gold(I) Anticancer Agents: Targeting the Nucleus and Inhibiting Vasculogenic Mimicry.","ACS chemical biology","2017","12","6","1524","1537","10.1021/acschembio.7b00090","","","0.71073","MoKα","","0.0252","0.0207","","","0.0453","0.0466","","","","","","1.046","","","","has coordinates","255805","2020-10-21","18:00:00",""
"4514089","19.206","0.0009","15.8073","0.0007","19.2815","0.0009","90","","90","","90","","5853.8","0.5","100","2","100.01","","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C38 H34 Co N4 -","- C38 H34 Co N4 -","- C304 H272 Co8 N32 -","8","1","","Maher, Andrew G.; Passard, Guillaume; Dogutan, Dilek K.; Halbach, Robert L.; Anderson, Bryce L.; Gagliardi, Christopher J.; Taniguchi, Masahiko; Lindsey, Jonathan S.; Nocera, Daniel G.","Hydrogen Evolution Catalysis by a Sparsely Substituted Cobalt Chlorin","ACS Catalysis","2017","","","3597","","10.1021/acscatal.7b00969","","","0.71073","MoKα","","0.0649","0.0386","","","0.09","0.102","","","","","","1.023","","","","has coordinates","195654","2020-10-21","18:00:00",""
"4514090","4.88608","0.00008","39.9585","0.0006","9.27521","0.00015","90","","91.1105","0.0015","90","","1810.56","0.05","100","2","100","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C25 H19 N O2 -","- C25 H19 N O2 -","- C100 H76 N4 O8 -","4","1","","Herlé, Bart; Holstein, Philipp M.; Echavarren, Antonio M.","Stereoselective cis-Vinylcyclopropanation via a Gold(I)-Catalyzed Retro-Buchner Reaction under Mild Conditions.","ACS catalysis","2017","7","5","3668","3675","10.1021/acscatal.7b00737","","","0.7107","MoKα","","0.1348","0.091","","","0.2494","0.2737","","","","","","1.048","","","","has coordinates,has disorder","197386","2020-10-21","18:00:00",""
"4514091","9.8574","0.0004","10.5363","0.0004","19.098","0.0006","83.974","0.003","85.964","0.003","69.875","0.004","1850.88","0.13","100","2","100","2","","","","","","","","4","P -1","-P 1","2","","","","- C25 H19 N O2 -","- C25 H19 N O2 -","- C100 H76 N4 O8 -","4","2","","Herlé, Bart; Holstein, Philipp M.; Echavarren, Antonio M.","Stereoselective cis-Vinylcyclopropanation via a Gold(I)-Catalyzed Retro-Buchner Reaction under Mild Conditions.","ACS catalysis","2017","7","5","3668","3675","10.1021/acscatal.7b00737","","","0.7107","MoKα","","0.0795","0.0491","","","0.1309","0.1458","","","","","","1.052","","","","has coordinates,has disorder","197386","2020-10-21","18:00:00",""
"4514092","24.404","0.007","14.181","0.007","9.304","0.003","90","","99.608","0.008","90","","3175","2","291","2","291","2","","","","","","","","6","C 1 2/m 1","-C 2y","12","","","","- C22 H22 N4 O6 S2 Zn -","- C22 H22 N4 O6 S2 Zn -","- C88 H88 N16 O24 S8 Zn4 -","4","0.5","","Zhao, Yang; Xu, Xiaoyue; Qiu, Ling; Kang, Xiaojing; Wen, Lili; Zhang, Bingguang","Metal-Organic Frameworks Constructed from a New Thiophene-Functionalized Dicarboxylate: Luminescence Sensing and Pesticide Removal.","ACS applied materials & interfaces","2017","9","17","15164","","10.1021/acsami.6b11797","","","0.71073","MoKα","","0.0543","0.0465","","","0.1448","0.1477","","","","","","1.053","","","","has coordinates","196103","2020-10-21","18:00:00",""
"4514093","28.6987","0.0012","28.6987","0.0012","23.8","0.002","90","","90","","90","","19602","2","173.15","","173.15","","","","","","","","","6","P 42 21 2","P 4n 2n","94","","","","- C30.75 H22 Cd N3 O7 S2 -","- C30.75 H22 Cd N3 O7 S2 -","- C246 H176 Cd8 N24 O56 S16 -","8","1","","Zhao, Yang; Xu, Xiaoyue; Qiu, Ling; Kang, Xiaojing; Wen, Lili; Zhang, Bingguang","Metal-Organic Frameworks Constructed from a New Thiophene-Functionalized Dicarboxylate: Luminescence Sensing and Pesticide Removal.","ACS applied materials & interfaces","2017","9","17","15164","","10.1021/acsami.6b11797","","","0.71073","MoKα","","0.1592","0.0507","","","0.1005","0.1343","","","","","","0.874","","","","has coordinates,has disorder","196103","2020-10-21","18:00:00",""
"4514094","13.0174","0.0015","14.9485","0.0017","17.504","0.002","102.352","0.002","98.18","0.003","99.337","0.003","3227.4","0.6","100","0.5","100","0.5","","","","","","","","8","P -1","-P 1","2","jonjy02","(Cy-PNP)Co(CO)2","","- C62 H65 B Co F24 N O2 P2 -","- C62 H65 B Co F24 N O2 P2 -","- C124 H130 B2 Co2 F48 N2 O4 P4 -","2","1","","Yuwen, Jing; Chakraborty, Sumit; Brennessel, William W.; Jones, William D.","Additive-Free Cobalt-Catalyzed Hydrogenation of Esters to Alcohols","ACS Catalysis","2017","","","3735","","10.1021/acscatal.7b00623","","","0.71073","MoKα","","0.101","0.0522","","","0.1101","0.1311","","","","","","0.995","","","","has coordinates","195806","2020-10-21","18:00:00",""
"4514095","14.722","0.002","16.791","0.003","17.269","0.003","99.053","0.003","113.62","0.003","101.693","0.003","3692.2","1.1","100","0.5","100","0.5","","","","","","","","8","P -1","-P 1","2","jonjy03","(CyPNP)Co(O2CPh)2","","- C74 H75 B Co F24 N O4 P2 -","- C74 H75 B Co F24 N O4 P2 -","- C148 H150 B2 Co2 F48 N2 O8 P4 -","2","1","","Yuwen, Jing; Chakraborty, Sumit; Brennessel, William W.; Jones, William D.","Additive-Free Cobalt-Catalyzed Hydrogenation of Esters to Alcohols","ACS Catalysis","2017","","","3735","","10.1021/acscatal.7b00623","","","0.71073","MoKα","","0.1005","0.0528","","","0.1056","0.1241","","","","","","1.016","","","","has coordinates,has disorder","195806","2020-10-21","18:00:00",""
"4514096","5.9658","0.0002","6.8587","0.0003","26.877","0.001","90","","90","","90","","1099.74","0.07","293.52","0.1","293.52","0.1","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C12 H10 O5 -","- C12 H10 O5 -","- C48 H40 O20 -","4","1","","Ji, Jie; Lin, Lili; Tang, Qiong; Kang, Tengfei; Liu, Xiaohua; Feng, Xiaoming","Highly Efficient Asymmetric Synthesis of Chiral γ-Alkenyl Butenolides Catalyzed by Chiral N,N′-Dioxide‒Scandium(III) Complexes","ACS Catalysis","2017","7","6","3763","","10.1021/acscatal.7b00590","","x-ray","1.54184","CuKα","","0.0529","0.0509","","","0.1384","0.1424","","","","","","1.072","","","","has coordinates","197390","2020-10-21","18:00:00",""
"4514097","11.569","0.0005","12.3348","0.0005","13.6093","0.0006","97.305","0.001","94.433","0.001","112.681","0.001","1760.32","0.13","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C43 H35 F4 Ir N4 -","- C43 H35 F4 Ir N4 -","- C86 H70 F8 Ir2 N8 -","2","1","","Li, Guomeng; Li, Ping; Zhuang, Xuming; Ye, Kaiqi; Liu, Yu; Wang, Yue","Rational Design and Characterization of Heteroleptic Phosphorescent Complexes for Highly Efficient Deep-Red Organic Light-Emitting Devices.","ACS applied materials & interfaces","2017","9","13","11749","11758","10.1021/acsami.7b00348","","","0.71073","MoKα","","0.0241","0.0221","","","0.0561","0.057","","","","","","1.066","","","","has coordinates","195912","2020-10-21","18:00:00",""
"4514098","10.0173","0.0002","8.6586","0.0002","13.7906","0.0003","90","","99.382","0.002","90","","1180.14","0.04","293","2","293","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","Bpy-PdCl2","Bpy-PdCl2","","- C10 H10 Cl2 N4 Pd -","- C10 H10 Cl2 N4 Pd -","- C40 H40 Cl8 N16 Pd4 -","4","1","","Bhadra, Mohitosh; Sasmal, Himadri Sekhar; Basu, Arghya; Midya, Siba P.; Kandambeth, Sharath; Pachfule, Pradip; Balaraman, Ekambaram; Banerjee, Rahul","Predesigned Metal-Anchored Building Block for In Situ Generation of Pd Nanoparticles in Porous Covalent Organic Framework: Application in Heterogeneous Tandem Catalysis.","ACS applied materials & interfaces","2017","9","15","13785","13792","10.1021/acsami.7b02355","","x-ray","0.71073","MoKα","","0.0337","0.0266","","","0.0536","0.0589","","","","","","1.056","","","","has coordinates","195913","2020-10-21","18:00:00",""
"4514099","8.3515","0.0007","5.6087","0.0004","23.3147","0.0019","90","","98.894","0.008","90","","1078.95","0.15","293","","293","","","","","","","","","3","P 1 21/n 1","-P 2yn","14","2-phenylbenzofuran-5-carbaldehyde","2-phenylbenzofuran-5-carbaldehyde","","- C15 H10 O2 -","- C15 H10 O2 -","- C60 H40 O8 -","4","1","","Bhadra, Mohitosh; Sasmal, Himadri Sekhar; Basu, Arghya; Midya, Siba P.; Kandambeth, Sharath; Pachfule, Pradip; Balaraman, Ekambaram; Banerjee, Rahul","Predesigned Metal-Anchored Building Block for In Situ Generation of Pd Nanoparticles in Porous Covalent Organic Framework: Application in Heterogeneous Tandem Catalysis.","ACS applied materials & interfaces","2017","9","15","13785","13792","10.1021/acsami.7b02355","","x-ray","1.54184","CuKα","","0.0529","0.0453","","","0.1216","0.1314","","","","","","1.048","","","","has coordinates","195913","2020-10-21","18:00:00",""
"4514100","13.578","0.008","13.579","0.01","13.733","0.011","91.45","0.02","100.63","0.02","115.95","0.019","2222","3","298","2","298","2","","","","","","","","7","P -1","-P 1","2","","","","- C60 H54 F18 N12 O4 P3 Ru2 -","- C60 H54 F18 N12 O4 P3 Ru2 -","- C60 H54 F18 N12 O4 P3 Ru2 -","1","0.5","","Fan, Ting; Duan, Lele; Huang, Ping; Chen, Hong; Daniel, Quentin; Ahlquist, Mårten S. G.; Sun, Licheng","The Ru-tpc Water Oxidation Catalyst and Beyond: Water Nucleophilic Attack Pathway versus Radical Coupling Pathway","ACS Catalysis","2017","7","4","2956","","10.1021/acscatal.6b03393","","","0.71073","MoKα","","0.1651","0.1007","","","0.2554","0.2951","","","","","","1.125","","","","has coordinates","195915","2020-10-21","18:00:00",""
"4514101","8.2698","0.0007","10.9458","0.0009","14.8705","0.0015","98.19","0.006","90.641","0.003","110.333","0.003","1246.6","0.2","100","2","100","2","","","","","","","","6","P -1","-P 1","2","","","","- C21 H39 Cl2 Co N P2 -","- C21 H39 Cl2 Co N P2 -","- C42 H78 Cl4 Co2 N2 P4 -","2","1","","Daw, Prosenjit; Chakraborty, Subrata; Leitus, Gregory; Diskin-Posner, Yael; Ben-David, Yehoshoa; Milstein, David","Selective N-Formylation of Amines with H2 and CO2 Catalyzed by Cobalt Pincer Complexes","ACS Catalysis","2017","7","4","2500","","10.1021/acscatal.7b00116","","","0.71073","MoKα","","0.0442","0.0317","","","0.0651","0.07","","","","","","1.034","","","","has coordinates","195916","2020-10-21","18:00:00",""
"4514102","14.2619","0.0007","8.3444","0.0004","19.9331","0.0011","90","","96.477","0.003","90","","2357","0.2","100","2","100","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C21 H39 Cl Co N P2 -","- C21 H39 Cl Co N P2 -","- C84 H156 Cl4 Co4 N4 P8 -","4","1","","Daw, Prosenjit; Chakraborty, Subrata; Leitus, Gregory; Diskin-Posner, Yael; Ben-David, Yehoshoa; Milstein, David","Selective N-Formylation of Amines with H2 and CO2 Catalyzed by Cobalt Pincer Complexes","ACS Catalysis","2017","7","4","2500","","10.1021/acscatal.7b00116","","","0.71073","MoKα","","0.0415","0.029","","","0.0624","0.0676","","","","","","1.023","","","","has coordinates","195916","2020-10-21","18:00:00",""
"4514103","18.5484","0.0009","15.0463","0.0007","16.1704","0.0008","90","","90","","90","","4512.9","0.4","100","2","100","2","","","","","","","","7","P n m a","-P 2ac 2n","62","","","","- C50 H40 Cl N3 O P2 Ru -","- C50 H40 Cl N3 O P2 Ru -","- C200 H160 Cl4 N12 O4 P8 Ru4 -","4","0.5","","Sarbajna, Abir; Dutta, Indranil; Daw, Prosenjit; Dinda, Shrabani; Rahaman, S. M. Wahidur; Sarkar, Abheek; Bera, Jitendra K.","Catalytic Conversion of Alcohols to Carboxylic Acid Salts and Hydrogen with Alkaline Water","ACS Catalysis","2017","7","4","2786","","10.1021/acscatal.6b03259","","","0.71073","MoKα","","0.0347","0.0317","","","0.0799","0.0814","","","","","","1.109","","","","has coordinates","195917","2020-10-21","18:00:00",""
"4514104","14.2935","0.0009","18.4185","0.0011","22.7313","0.0013","90","","108.44","0.004","90","","5677.1","0.6","100","2","100","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C54 H47 Cl5 N4 O P2 Ru -","- C54 H47 Cl5 N4 O P2 Ru -","- C216 H188 Cl20 N16 O4 P8 Ru4 -","4","1","","Sarbajna, Abir; Dutta, Indranil; Daw, Prosenjit; Dinda, Shrabani; Rahaman, S. M. Wahidur; Sarkar, Abheek; Bera, Jitendra K.","Catalytic Conversion of Alcohols to Carboxylic Acid Salts and Hydrogen with Alkaline Water","ACS Catalysis","2017","7","4","2786","","10.1021/acscatal.6b03259","","","0.71073","MoKα","","0.0965","0.0814","","","0.203","0.2122","","","","","","1.057","","","","has coordinates","195918","2020-10-21","18:00:00",""
"4514105","11.8324","0.0013","14.2246","0.0016","18.611","0.002","86.239","0.002","84.443","0.002","71.637","0.002","2956.9","0.6","100","2","100","2","","","","","","","","7","P -1","-P 1","2","","","","- C59 H49 Cl5 N4 O2 P2 Ru2 -","- C59 H49 Cl5 N4 O2 P2 Ru2 -","- C118 H98 Cl10 N8 O4 P4 Ru4 -","2","1","","Sarbajna, Abir; Dutta, Indranil; Daw, Prosenjit; Dinda, Shrabani; Rahaman, S. M. Wahidur; Sarkar, Abheek; Bera, Jitendra K.","Catalytic Conversion of Alcohols to Carboxylic Acid Salts and Hydrogen with Alkaline Water","ACS Catalysis","2017","7","4","2786","","10.1021/acscatal.6b03259","","","0.71073","MoKα","","0.0636","0.0512","","","0.1173","0.1228","","","","","","1.047","","","","has coordinates","195919","2020-10-21","18:00:00",""
"4514106","8.4166","0.0003","11.03","0.0004","16.025","0.0006","84.085","0.002","76.9","0.002","69.246","0.002","1354.52","0.09","100","2","100","2","","","","","","","","7","P -1","-P 1","2","","","","- C29 H20 F3 N5 O6 Ru S -","- C29 H20 F3 N5 O6 Ru S -","- C58 H40 F6 N10 O12 Ru2 S2 -","2","1","","Kagalwala, Husain N.; Tong, Lianpeng; Zong, Ruifa; Kohler, Lars; Ahlquist, Mårten S. G.; Fan, Ting; Gagnon, Kevin J.; Thummel, Randolph P.","Evidence for Oxidative Decay of a Ru-Bound Ligand during Catalyzed Water Oxidation","ACS Catalysis","2017","7","4","2607","","10.1021/acscatal.6b03278","","","0.7749","synchrotron","","0.0472","0.0342","","","0.07","0.0746","","","","","","1.046","","","","has coordinates","195920","2020-10-21","18:00:00",""
"4514107","8.8677","0.0002","10.0871","0.0002","14.1044","0.0002","90","","90","","90","","1261.63","0.04","120","2","120","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C13 H15 N O4 -","- C13 H15 N O4 -","- C52 H60 N4 O16 -","4","1","","Tukhvatshin, Rinat S.; Kucherenko, Alexander S.; Nelyubina, Yulia V.; Zlotin, Sergei G.","Tertiary Amine-Derived Ionic Liquid-Supported Squaramide as a Recyclable Organocatalyst for Noncovalent “On Water” Catalysis","ACS Catalysis","2017","7","4","2981","","10.1021/acscatal.7b00562","","","1.54178","CuKα","","0.0235","0.0234","","","0.0576","0.0577","","","","","","1.005","","","","has coordinates","195921","2020-10-21","18:00:00",""
"4514108","17.7576","0.001","12.9229","0.0007","12.7518","0.0007","90","","90","","90","","2926.3","0.3","100","2","100","2","","","","","","","","6","P b a m","-P 2 2ab","55","","(6,6'-dihydroxy-2,2'-bipyridine)-bromo-tricarbonyl-manganese(I)","","- C13 H8 Br Mn N2 O5 -","- C13 H8 Br Mn N2 O5 -","- C104 H64 Br8 Mn8 N16 O40 -","8","1","","Dubey, Abhishek; Nencini, Luca; Fayzullin, Robert R.; Nervi, Carlo; Khusnutdinova, Julia R.","Bio-Inspired Mn(I) Complexes for the Hydrogenation of CO2 to Formate and Formamide","ACS Catalysis","2017","7","6","3864","","10.1021/acscatal.7b00943","","x-ray","0.71073","MoKα","","0.0535","0.0356","","","0.08","0.0852","","","","","","1.017","","","","has coordinates","197388","2020-10-21","18:00:00",""
"4514109","8.1795","0.0005","16.3907","0.0011","11.9305","0.0006","90","","90.478","0.005","90","","1599.44","0.17","93","2","93","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","(6,6'-dimethoxy-2,2'-bipyridine)-bromo-tricarbonyl-manganese(I)","","- C15 H12 Br Mn N2 O5 -","- C15 H12 Br Mn N2 O5 -","- C60 H48 Br4 Mn4 N8 O20 -","4","1","","Dubey, Abhishek; Nencini, Luca; Fayzullin, Robert R.; Nervi, Carlo; Khusnutdinova, Julia R.","Bio-Inspired Mn(I) Complexes for the Hydrogenation of CO2 to Formate and Formamide","ACS Catalysis","2017","7","6","3864","","10.1021/acscatal.7b00943","","x-ray","0.71073","MoKα","","0.0382","0.031","","","0.0727","0.0753","","","","","","1.033","","","","has coordinates","197388","2020-10-21","18:00:00",""
"4514110","7.5829","0.0002","9.6475","0.0003","20.0238","0.0005","90","","93.812","0.003","90","","1461.62","0.07","110","2","110","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","(6,6'-diamino-2,2'-bipyridine)-bromo-tricarbonyl-manganese(I)","","- C13 H10 Br Mn N4 O3 -","- C13 H10 Br Mn N4 O3 -","- C52 H40 Br4 Mn4 N16 O12 -","4","1","","Dubey, Abhishek; Nencini, Luca; Fayzullin, Robert R.; Nervi, Carlo; Khusnutdinova, Julia R.","Bio-Inspired Mn(I) Complexes for the Hydrogenation of CO2 to Formate and Formamide","ACS Catalysis","2017","7","6","3864","","10.1021/acscatal.7b00943","","x-ray","0.71073","MoKα","","0.0291","0.0241","","","0.0571","0.0585","","","","","","1.044","","","","has coordinates","197388","2020-10-21","18:00:00",""
"4514111","8.9121","0.00019","12.7125","0.0003","17.6682","0.0004","84.4838","0.0018","86.3815","0.0018","83.4002","0.0017","1976.5","0.08","93","2","93","2","","","","","","","","7","P -1","-P 1","2","","(6,6'-dihydroxy-2,2'-bipyridine)-acetonitrile-tricarbonyl-manganese(I) triflate","","- C16 H11 F3 Mn N3 O8 S -","- C16 H11 F3 Mn N3 O8 S -","- C64 H44 F12 Mn4 N12 O32 S4 -","4","2","","Dubey, Abhishek; Nencini, Luca; Fayzullin, Robert R.; Nervi, Carlo; Khusnutdinova, Julia R.","Bio-Inspired Mn(I) Complexes for the Hydrogenation of CO2 to Formate and Formamide","ACS Catalysis","2017","7","6","3864","","10.1021/acscatal.7b00943","","x-ray","0.71073","MoKα","","0.0332","0.0286","","","0.0717","0.0738","","","","","","1.061","","","","has coordinates","197388","2020-10-21","18:00:00",""
"4514112","8.19264","0.00016","11.4621","0.0003","23.0399","0.0005","90","","92.2861","0.0019","90","","2161.84","0.08","105","2","105","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","(6,6'-dimethoxy-2,2'-bipyridine)-acetonitrile-tricarbonyl-manganese(I) triflate","","- C18 H15 F3 Mn N3 O8 S -","- C18 H15 F3 Mn N3 O8 S -","- C72 H60 F12 Mn4 N12 O32 S4 -","4","1","","Dubey, Abhishek; Nencini, Luca; Fayzullin, Robert R.; Nervi, Carlo; Khusnutdinova, Julia R.","Bio-Inspired Mn(I) Complexes for the Hydrogenation of CO2 to Formate and Formamide","ACS Catalysis","2017","7","6","3864","","10.1021/acscatal.7b00943","","x-ray","0.71073","MoKα","","0.0277","0.0253","","","0.0667","0.0678","","","","","","1.052","","","","has coordinates","197388","2020-10-21","18:00:00",""
"4514113","10.8621","0.0006","5.3971","0.0003","18.8997","0.001","90","","93.336","0.004","90","","1106.1","0.1","143","2","143","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C26 H23 N O6 -","- C26.006 H23.005 N O6 -","- C52.012 H46.01 N2 O12 -","2","1","","Xing, Pengyao; Li, Peizhou; Chen, Hongzhong; Hao, Aiyou; Zhao, Yanli","Understanding Pathway Complexity of Organic Micro/Nanofiber Growth in Hydrogen-Bonded Coassembly of Aromatic Amino Acids.","ACS nano","2017","11","4","4206","4216","10.1021/acsnano.7b01161","","","1.54178","CuKα","","0.1002","0.0785","","","0.1846","0.2047","","","","","","1.016","","","","has coordinates,has disorder","195924","2020-10-21","18:00:00",""
"4514114","9.494","0.005","10.567","0.006","10.951","0.006","90","","97.678","0.005","90","","1088.8","1","298","2","298.15","","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C18 H0 N19 O27 -","- C52 H44 N4 O8 -","- C52 H44 N4 O8 -","1","0.5","","Xing, Pengyao; Li, Peizhou; Chen, Hongzhong; Hao, Aiyou; Zhao, Yanli","Understanding Pathway Complexity of Organic Micro/Nanofiber Growth in Hydrogen-Bonded Coassembly of Aromatic Amino Acids.","ACS nano","2017","11","4","4206","4216","10.1021/acsnano.7b01161","","","0.71","MoKα","","0.0852","0.0635","","","0.1624","0.1762","","","","","","1.036","","","","has coordinates","195925","2020-10-21","18:00:00",""
"4514115","9.04501","0.00007","9.77593","0.00009","25.19795","0.00017","90","","92.5278","0.0007","90","","2225.92","0.03","175","","175","","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C44 H61 N O10 S Si -","- C44 H61 N O10 S Si -","- C88 H122 N2 O20 S2 Si2 -","2","1","","Liao, Yuting; Zhou, Baixin; Xia, Yong; Liu, Xiaohua; Lin, Lili; Feng, Xiaoming","Asymmetric [3 + 2] Cycloaddition of 2,2′-Diester Aziridines To Synthesize Pyrrolidine Derivatives","ACS Catalysis","2017","7","6","3934","","10.1021/acscatal.7b00787","","x-ray","1.54184","CuKα","","0.0547","0.0532","","","0.1373","0.1394","","","","","","1.032","","","","has coordinates","197391","2020-10-21","18:00:00",""
"4514116","9.975","0.0002","8.9417","0.0002","12.2426","0.0003","90","","101.043","0.001","90","","1071.74","0.04","100","2","100","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C24 H24 Cl N O5 -","- C24 H24 Cl N O5 -","- C48 H48 Cl2 N2 O10 -","2","1","","Mondal, Santigopal; Mukherjee, Subrata; Das, Tamal Kanti; Gonnade, Rajesh; Biju, Akkattu T.","N-Heterocyclic Carbene-Catalyzed Aldol-Lactonization of Ketoacids via Dynamic Kinetic Resolution","ACS Catalysis","2017","","","3995","","10.1021/acscatal.7b00681","","","1.54178","CuKα","","0.0224","0.0223","","","0.0572","0.0573","","","","","","1.036","","","","has coordinates","196626","2020-10-21","18:00:00",""
"4514117","13.226","0.003","6.2835","0.0015","13.615","0.003","90","","92.018","0.007","90","","1130.8","0.4","296","2","296","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C22 H24 N2 O2 S -","- C22 H24 N2 O2 S -","- C44 H48 N4 O4 S2 -","2","1","","Lin, Tao-Yan; Wu, Hai-Hong; Feng, Jian-Jun; Zhang, Junliang","Design and Enantioselective Synthesis of β-Vinyl Tryptamine Building Blocks for Construction of Privileged Chiral Indole Scaffolds","ACS Catalysis","2017","","","4047","","10.1021/acscatal.7b00870","","","0.71073","MoKα","","0.0453","0.0384","","","0.1038","0.1065","","","","","","1.067","","","","has coordinates","196675","2020-10-21","18:00:00",""
"4514118","9.5931","0.0001","12.8055","0.0002","15.6673","0.0002","90","","102.15","0.001","90","","1881.53","0.04","90","2","90","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C20 H24 Cl N O2 S -","- C20 H24 Cl N O2 S -","- C80 H96 Cl4 N4 O8 S4 -","4","1","","Zhang, Hongwei; Muñiz, Kilian","Selective Piperidine Synthesis Exploiting Iodine-Catalyzed Csp3‒H Amination under Visible Light","ACS Catalysis","2017","7","6","4122","","10.1021/acscatal.7b00928","","","0.7107","MoKα","","0.0413","0.0333","","","0.1001","0.1042","","","","","","1.036","","","","has coordinates","197389","2020-10-21","18:00:00",""
"4514119","16.4786","0.0007","7.779","0.0004","28.3488","0.0015","90","","90","","90","","3633.9","0.3","100","2","100","2","","","","","","","","5","P b c n","-P 2n 2ab","60","","","","- C19 H22 N2 O4 S -","- C19 H22 N2 O4 S -","- C152 H176 N16 O32 S8 -","8","1","","Zhang, Hongwei; Muñiz, Kilian","Selective Piperidine Synthesis Exploiting Iodine-Catalyzed Csp3‒H Amination under Visible Light","ACS Catalysis","2017","7","6","4122","","10.1021/acscatal.7b00928","","","0.71073","MoKα","","0.0673","0.0415","","","0.0881","0.0992","","","","","","1.018","","","","has coordinates","197389","2020-10-21","18:00:00",""
"4514120","13.316","0.002","20.47","0.003","6.2779","0.001","90","","101.369","0.004","90","","1677.6","0.4","293","2","293","2","","","","","","","","2","P 1 21/c 1","-P 2ybc","14","","","","- C25 H18 -","- C25 H18 -","- C100 H72 -","4","1","","Yu, Liu-Zhu; Wei, Yin; Shi, Min","Synthesis of Polysubstituted Polycyclic Aromatic Hydrocarbons by Gold-Catalyzed Cyclization‒Oxidation of Alkylidenecyclopropane-Containing 1,5-Enynes","ACS Catalysis","2017","7","7","4242","","10.1021/acscatal.7b00784","","","0.71073","MoKα","","0.0747","0.049","","","0.1205","0.1342","","","","","","1.021","","","","has coordinates","200650","2020-10-21","18:00:00",""
"4514121","9.3854","0.0018","9.6615","0.0018","11.064","0.002","87.814","0.004","68.304","0.004","85.999","0.004","929.8","0.3","293","2","293","2","","","","","","","","4","P -1","-P 1","2","","","","- C24 H17 Cl O -","- C24 H17 Cl O -","- C48 H34 Cl2 O2 -","2","1","","Yu, Liu-Zhu; Wei, Yin; Shi, Min","Synthesis of Polysubstituted Polycyclic Aromatic Hydrocarbons by Gold-Catalyzed Cyclization‒Oxidation of Alkylidenecyclopropane-Containing 1,5-Enynes","ACS Catalysis","2017","7","7","4242","","10.1021/acscatal.7b00784","","","0.71073","MoKα","","0.0764","0.0534","","","0.1439","0.1602","","","","","","1.055","","","","has coordinates","200650","2020-10-21","18:00:00",""
"4514122","4.9712","0.0009","11.992","0.002","27.578","0.005","79.676","0.006","84.855","0.004","78.156","0.004","1580.6","0.5","293","2","293","2","","","","","","","","3","P -1","-P 1","2","","","","- C22 H16 S -","- C22 H16 S -","- C88 H64 S4 -","4","2","","Yu, Liu-Zhu; Wei, Yin; Shi, Min","Synthesis of Polysubstituted Polycyclic Aromatic Hydrocarbons by Gold-Catalyzed Cyclization‒Oxidation of Alkylidenecyclopropane-Containing 1,5-Enynes","ACS Catalysis","2017","7","7","4242","","10.1021/acscatal.7b00784","","","0.71073","MoKα","","0.1566","0.0987","","","0.238","0.2768","","","","","","1.052","","","","has coordinates,has disorder","200650","2020-10-21","18:00:00",""
"4514123","9.0052","0.0004","10.3193","0.0005","13.9951","0.0006","90.135","0.002","92.418","0.002","94.402","0.002","1295.52","0.1","100","2","100","2","","","","","","","","6","P -1","-P 1","2","2b","","","- C25 H26 F2 N2 Pt S -","- C25 H26 F2 N2 Pt S -","- C50 H52 F4 N4 Pt2 S2 -","2","1","","Suslick, Benjamin A.; Liberman-Martin, Allegra L.; Wambach, Truman C.; Tilley, T. Don","Olefin Hydroarylation Catalyzed by (pyridyl-indolate)Pt(II) Complexes: Catalytic Efficiencies and Mechanistic Aspects","ACS Catalysis","2017","","","4313","","10.1021/acscatal.7b01560","","","0.71073","MoKα","","0.0178","0.0172","","","0.0421","0.0424","","","","","","1.05","","","","has coordinates","196998","2020-10-21","18:00:00",""
"4514124","8.9213","0.0005","10.1362","0.0005","14.7554","0.0008","97.236","0.003","90.819","0.003","94.146","0.003","1319.84","0.12","100","2","100","2","","","","","","","","6","P -1","-P 1","2","2c","","","- C25 H24 F4 N2 Pt S -","- C25 H24 F4 N2 Pt S -","- C50 H48 F8 N4 Pt2 S2 -","2","1","","Suslick, Benjamin A.; Liberman-Martin, Allegra L.; Wambach, Truman C.; Tilley, T. Don","Olefin Hydroarylation Catalyzed by (pyridyl-indolate)Pt(II) Complexes: Catalytic Efficiencies and Mechanistic Aspects","ACS Catalysis","2017","","","4313","","10.1021/acscatal.7b01560","","","0.71073","MoKα","","0.0142","0.0131","","","0.0291","0.0293","","","","","","1.047","","","","has coordinates","196999","2020-10-21","18:00:00",""
"4514125","17.18","0.012","17.286","0.012","17.24","0.012","90","","115.277","0.009","90","","4630","6","90","","90","","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C42 H20 Br2 F4 -","- C42 H20 Br2 F4 -","- C252 H120 Br12 F24 -","6","1.5","","Hayashi, Hironobu; Yamaguchi, Junichi; Jippo, Hideyuki; Hayashi, Ryunosuke; Aratani, Naoki; Ohfuchi, Mari; Sato, Shintaro; Yamada, Hiroko","Experimental and Theoretical Investigations of Surface-Assisted Graphene Nanoribbon Synthesis Featuring Carbon-Fluorine Bond Cleavage.","ACS nano","2017","","","","","10.1021/acsnano.7b02316","","","0.71073","MoKα","","0.1871","0.1405","","","0.334","0.3615","","","","","","1.07","","","","has coordinates","197022","2020-10-21","18:00:00",""
"4514126","5.939","0.0012","6.2687","0.0013","11.247","0.002","103.95","0.03","91.49","0.03","99.82","0.03","399.43","0.15","25","","12","","","","","","","","","4","P -1","-P 1","2","Sodium hydrogen maleate","","","- C4 H9 Na O7 -","- C4 H9 Na O7 -","- C8 H18 Na2 O14 -","2","1","","Malaspina, Lorraine A.; Edwards, Alison J.; Woińska, Magdalena; Jayatilaka, Dylan; Turner, Michael J.; Price, Jason R.; Herbst-Irmer, Regine; Sugimoto, Kunihisa; Nishibori, Eiji; Grabowsky, Simon","Predicting the Position of the Hydrogen Atom in the Short Intramolecular Hydrogen Bond of the Hydrogen Maleate Anion from Geometric Correlations","Crystal Growth & Design","2017","17","7","3812","","10.1021/acs.cgd.7b00390","","neutron","0.85","neutron","","0.0552","0.0355","","0.0536","0.0304","0.0287","","","","","","0.9998","","","","has coordinates","199568","2020-10-21","18:00:00",""
"4514127","5.3526","0.0011","10.014","0.002","22.411","0.004","90","","90","","90","","1201.3","0.4","25","","12","","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","8-hydroxyquinolinium hydrogen maleate","","","- C13 H11 N O5 -","- C13 H11 N O5 -","- C52 H44 N4 O20 -","4","1","","Malaspina, Lorraine A.; Edwards, Alison J.; Woińska, Magdalena; Jayatilaka, Dylan; Turner, Michael J.; Price, Jason R.; Herbst-Irmer, Regine; Sugimoto, Kunihisa; Nishibori, Eiji; Grabowsky, Simon","Predicting the Position of the Hydrogen Atom in the Short Intramolecular Hydrogen Bond of the Hydrogen Maleate Anion from Geometric Correlations","Crystal Growth & Design","2017","17","7","3812","","10.1021/acs.cgd.7b00390","","neutron","0.85","neutron","","0.0449","0.0425","","0.053","0.0527","0.052","","","","","","0.9999","","","","has coordinates","199568","2020-10-21","18:00:00",""
"4514128","4.5071","0.0009","7.7017","0.0015","15.921","0.003","90","","90","","90","","552.66","0.19","25","","12","","","","","","","","","4","P b c m","-P 2c 2b","57","Potassium hydrogen maleate","","","- C4 H3 K O4 -","- C4 H3 K O4 -","- C16 H12 K4 O16 -","4","0.5","","Malaspina, Lorraine A.; Edwards, Alison J.; Woińska, Magdalena; Jayatilaka, Dylan; Turner, Michael J.; Price, Jason R.; Herbst-Irmer, Regine; Sugimoto, Kunihisa; Nishibori, Eiji; Grabowsky, Simon","Predicting the Position of the Hydrogen Atom in the Short Intramolecular Hydrogen Bond of the Hydrogen Maleate Anion from Geometric Correlations","Crystal Growth & Design","2017","17","7","3812","","10.1021/acs.cgd.7b00390","","neutron","0.85","neutron","","0.0377","0.0264","","0.0644","0.047","0.0436","","","","","","1","","","","has coordinates","199568","2020-10-21","18:00:00",""
"4514129","6.4162","0.0013","19.016","0.004","11.412","0.002","90","","92.9","0.03","90","","1390.6","0.5","25","","12","","","","","","","","","4","P 1 21 1","P 2yb","4","Barium hydrogen maleate","","","- C16 H28 Ba2 O24 -","- C16 H28 Ba2 O24 -","- C32 H56 Ba4 O48 -","2","1","","Malaspina, Lorraine A.; Edwards, Alison J.; Woińska, Magdalena; Jayatilaka, Dylan; Turner, Michael J.; Price, Jason R.; Herbst-Irmer, Regine; Sugimoto, Kunihisa; Nishibori, Eiji; Grabowsky, Simon","Predicting the Position of the Hydrogen Atom in the Short Intramolecular Hydrogen Bond of the Hydrogen Maleate Anion from Geometric Correlations","Crystal Growth & Design","2017","17","7","3812","","10.1021/acs.cgd.7b00390","","neutron","0.85","neutron","","0.0429","0.0359","","0.027","0.0229","0.0223","","","","","","0.9996","","","","has coordinates","199568","2020-10-21","18:00:00",""
"4514130","10.192","0.002","11.756","0.002","6.6189","0.0013","90","","103.66","0.03","90","","770.6","0.3","25","","12","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","Magnesium hydrogen maleate","","","- C8 H18 Mg O14 -","- C8 H18 Mg O14 -","- C16 H36 Mg2 O28 -","2","0.5","","Malaspina, Lorraine A.; Edwards, Alison J.; Woińska, Magdalena; Jayatilaka, Dylan; Turner, Michael J.; Price, Jason R.; Herbst-Irmer, Regine; Sugimoto, Kunihisa; Nishibori, Eiji; Grabowsky, Simon","Predicting the Position of the Hydrogen Atom in the Short Intramolecular Hydrogen Bond of the Hydrogen Maleate Anion from Geometric Correlations","Crystal Growth & Design","2017","17","7","3812","","10.1021/acs.cgd.7b00390","","neutron","0.85","neutron","","0.063","0.0404","","0.0565","0.0458","0.0434","","","","","","0.9999","","","","has coordinates","199568","2020-10-21","18:00:00",""
"4514131","11.724","0.002","19.637","0.004","6.3269","0.0013","90","","90","","90","","1456.6","0.5","25","","12","","","","","","","","","4","P n m a","-P 2ac 2n","62","Calcium hydrogen maleate","","","- C8 H16 Ca O13 -","- C8 H16 Ca O13 -","- C32 H64 Ca4 O52 -","4","0.5","","Malaspina, Lorraine A.; Edwards, Alison J.; Woińska, Magdalena; Jayatilaka, Dylan; Turner, Michael J.; Price, Jason R.; Herbst-Irmer, Regine; Sugimoto, Kunihisa; Nishibori, Eiji; Grabowsky, Simon","Predicting the Position of the Hydrogen Atom in the Short Intramolecular Hydrogen Bond of the Hydrogen Maleate Anion from Geometric Correlations","Crystal Growth & Design","2017","17","7","3812","","10.1021/acs.cgd.7b00390","","neutron","0.85","neutron","","0.1","0.0689","","0.125","0.1028","0.0978","","","","","","0.9999","","","","has coordinates","199568","2020-10-21","18:00:00",""
"4514132","7.8515","0.0016","5.5447","0.0011","10.921","0.002","90","","96.39","0.03","90","","472.48","0.16","25","","12","","","","","","","","","4","P 1 21 1","P 2yb","4","4-aminopyridinium hydrogen maleate","","","- C9 H10 N2 O4 -","- C9 H10 N2 O4 -","- C18 H20 N4 O8 -","2","1","","Malaspina, Lorraine A.; Edwards, Alison J.; Woińska, Magdalena; Jayatilaka, Dylan; Turner, Michael J.; Price, Jason R.; Herbst-Irmer, Regine; Sugimoto, Kunihisa; Nishibori, Eiji; Grabowsky, Simon","Predicting the Position of the Hydrogen Atom in the Short Intramolecular Hydrogen Bond of the Hydrogen Maleate Anion from Geometric Correlations","Crystal Growth & Design","2017","17","7","3812","","10.1021/acs.cgd.7b00390","","neutron","0.85","neutron","","0.0336","0.0274","","0.0229","0.021","0.0209","","","","","","0.9991","","","","has coordinates","199568","2020-10-21","18:00:00",""
"4514133","5.8334","0.0012","5.9257","0.0012","18.803","0.004","90","","91.3","0.03","90","","649.8","0.2","25","","12","","","","","","","","","4","P 1 21/n 1","-P 2yn","14","Lithium hydrogen maleate","","","- C4 H7 Li O6 -","- C4 H7 Li O6 -","- C16 H28 Li4 O24 -","4","1","","Malaspina, Lorraine A.; Edwards, Alison J.; Woińska, Magdalena; Jayatilaka, Dylan; Turner, Michael J.; Price, Jason R.; Herbst-Irmer, Regine; Sugimoto, Kunihisa; Nishibori, Eiji; Grabowsky, Simon","Predicting the Position of the Hydrogen Atom in the Short Intramolecular Hydrogen Bond of the Hydrogen Maleate Anion from Geometric Correlations","Crystal Growth & Design","2017","17","7","3812","","10.1021/acs.cgd.7b00390","","neutron","0.85","neutron","","0.1251","0.0658","","0.1635","0.1125","0.0947","","","","","","0.9997","","","","has coordinates","199568","2020-10-21","18:00:00",""
"4514134","17.784","0.0019","7.5472","0.0008","25.281","0.003","90","","90","","90","","3393.2","0.7","153","2","153","2","","","","","","","","3","P b c a","-P 2ac 2ab","61","","","","- C19 H20 O6 -","- C19 H20 O6 -","- C152 H160 O48 -","8","1","","Butler, Tristan; Mathew, Alexander S.; Sabat, Michal; Fraser, Cassandra L.","Camera Method for Monitoring a Mechanochromic Luminescent β-Diketone Dye with Rapid Recovery.","ACS applied materials & interfaces","2017","9","20","17603","17612","10.1021/acsami.7b01985","","","0.71073","MoKα","","0.0741","0.0475","","","0.1258","0.1467","","","","","","1.056","","","","has coordinates","197202","2020-10-21","18:00:00",""
"4514135","10.5207","0.0006","19.5694","0.0011","19.8195","0.0012","85.567","0.001","76.231","0.001","85.878","0.001","3945.4","0.4","296.15","","296.15","","","","","","","","","5","P -1","-P 1","2","","","","- C85 H55 Cd2 N12 O10 -","- C85 H55 Cd2 N12 O10 -","- C170 H110 Cd4 N24 O20 -","2","1","","Yang, Lirong; Lian, Chen; Li, Xuefei; Han, Yuyang; Yang, Lele; Cai, Ting; Shao, Caiyun","Highly Selective Bifunctional Luminescent Sensor toward Nitrobenzene and Cu(2+) Ion Based on Microporous Metal-Organic Frameworks: Synthesis, Structures, and Properties.","ACS applied materials & interfaces","2017","9","20","17208","17217","10.1021/acsami.7b01758","","","0.71073","MoKα","","0.1002","0.0513","","","0.1329","0.172","","","","","","1.01","","","","has coordinates,has disorder","197203","2020-10-21","18:00:00",""
"4514136","8.539","0.0002","15.0653","0.0004","32.9272","0.0009","90","","90","","90","","4235.84","0.19","270","2","270","2","","","","","","","","7","P b c a","-P 2ac 2ab","61","","","","- C19 H27 Cl N3 O P Ru -","- C19 H27 Cl N3 O P Ru -","- C152 H216 Cl8 N24 O8 P8 Ru8 -","8","1","","Li, Huaifeng; Wang, Yuan; Lai, Zhiping; Huang, Kuo-Wei","Selective Catalytic Hydrogenation of Arenols by a Well-Defined Complex of Ruthenium and Phosphorus‒Nitrogen PN3‒Pincer Ligand Containing a Phenanthroline Backbone","ACS Catalysis","2017","7","7","4446","","10.1021/acscatal.7b01316","","","1.54178","CuKα","","0.0534","0.052","","","0.1367","0.1373","","","","","","1.022","","","","has coordinates","200651","2020-10-21","18:00:00",""
"4514137","8.4904","0.0001","16.3262","0.0003","17.4261","0.0003","90","","97.79","0.001","90","","2393.24","0.07","293","2","293","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C22 H31 Cl N3 O2 P Ru -","- C22 H31 Cl N3 O2 P Ru -","- C88 H124 Cl4 N12 O8 P4 Ru4 -","4","1","","Li, Huaifeng; Wang, Yuan; Lai, Zhiping; Huang, Kuo-Wei","Selective Catalytic Hydrogenation of Arenols by a Well-Defined Complex of Ruthenium and Phosphorus‒Nitrogen PN3‒Pincer Ligand Containing a Phenanthroline Backbone","ACS Catalysis","2017","7","7","4446","","10.1021/acscatal.7b01316","","","0.71073","MoKα","","0.0335","0.0268","","","0.0671","0.0695","","","","","","1.059","","","","has coordinates","200651","2020-10-21","18:00:00",""
"4514138","11.3349","0.0006","12.8075","0.0005","13.5019","0.0006","76.483","0.002","84.58","0.002","83.915","0.002","1890.13","0.15","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","","","- C46 H40 Br2 N2 O2 -","- C46 H40 Br2 N2 O2 -","- C92 H80 Br4 N4 O4 -","2","1","","Liu, Yi; Tse, Ying-Lung Steve; Kwong, Fuk Yee; Yeung, Ying-Yeung","Accessing Axially Chiral Biaryls via Organocatalytic Enantioselective Dynamic-Kinetic Resolution-Semipinacol Rearrangement","ACS Catalysis","2017","","","4435","","10.1021/acscatal.7b01056","","","0.71073","MoKα","","0.0801","0.052","","","0.1198","0.1339","","","","","","1.031","","","","has coordinates,has disorder","197206","2020-10-21","18:00:00",""
"4514139","14.93","0.002","11.5659","0.0017","15.258","0.0019","90","","101.808","0.004","90","","2579","0.6","200","2","200","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C28 H28 N2 O6 S -","- C28 H28 N2 O6 S -","- C112 H112 N8 O24 S4 -","4","2","","Claraz, Aurélie; Serpier, Fabien; Darses, Sylvain","Organoboron Initiated Rh-Catalyzed Asymmetric Cascade Reactions: A Subtle Switch in Regioselectivity Leading to Chiral 3-Benzazepine Derivatives","ACS Catalysis","2017","7","5","3410","","10.1021/acscatal.7b00511","","","1.54178","CuKα","","0.055","0.0514","","","0.1412","0.145","","","","","","1.047","","","","has coordinates","197208","2020-10-21","18:00:00",""
"4514140","8.8643","0.0008","17.5771","0.0008","22.5359","0.0008","90","","90","","90","","3511.3","0.4","106.3","","106.3","","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C42 H30 F6 N2 O4 -","- C42 H30 F6 N2 O4 -","- C168 H120 F24 N8 O16 -","4","1","","Yang, Wenjun; Sun, Wei; Zhang, Cheng; Wang, Qijun; Guo, Zhenyan; Mao, Biming; Liao, Jianning; Guo, Hongchao","Lewis-Base-Catalyzed Asymmetric [3 + 3] Annulation Reaction of Morita‒Baylis‒Hillman Carbonates: Enantioselective Synthesis of Spirocyclohexenes","ACS Catalysis","2017","7","5","3142","","10.1021/acscatal.7b00320","","","1.5418","CuKα","","0.0383","0.0363","","","0.0889","0.0906","","","","","","1.016","","","","has coordinates","197209","2020-10-21","18:00:00",""
"4514141","9.035","0.002","5.7594","0.0015","13.277","0.003","90","","100.891","0.007","90","","678.4","0.3","100","2","100","2","","","","","","","","2","P 1 21 1","P 2yb","4","","","","- C18 H18 -","- C18 H18 -","- C36 H36 -","2","1","","Herlé, Bart; Holstein, Philipp M.; Echavarren, Antonio M.","Stereoselective cis-Vinylcyclopropanation via a Gold(I)-Catalyzed Retro-Buchner Reaction under Mild Conditions.","ACS catalysis","2017","7","5","3668","3675","10.1021/acscatal.7b00737","","","0.71073","MoKα","","0.0544","0.042","","","0.0989","0.1056","","","","","","1.05","","","","has coordinates","197210","2020-10-21","18:00:00",""
"4514142","11.6983","0.0003","13.0767","0.0003","13.6557","0.0005","90","","114.637","0.004","90","","1898.82","0.11","100","2","100","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C21 H27 N O2 S -","- C21 H27 N O2 S -","- C84 H108 N4 O8 S4 -","4","1","","Zhang, Hongwei; Muñiz, Kilian","Selective Piperidine Synthesis Exploiting Iodine-Catalyzed Csp3‒H Amination under Visible Light","ACS Catalysis","2017","7","6","4122","","10.1021/acscatal.7b00928","","","0.7107","MoKα","","0.0416","0.0369","","","0.0975","0.1006","","","","","","1.021","","","","has coordinates","258458","2020-10-21","18:00:00",""
"4514143","10.2375","0.0002","9.4009","0.0002","16.6135","0.0004","90","","98.412","0.002","90","","1581.71","0.06","100","2","100","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C19 H21 N O2 S -","- C19 H21 N O2 S -","- C76 H84 N4 O8 S4 -","4","1","","Zhang, Hongwei; Muñiz, Kilian","Selective Piperidine Synthesis Exploiting Iodine-Catalyzed Csp3‒H Amination under Visible Light","ACS Catalysis","2017","7","6","4122","","10.1021/acscatal.7b00928","","","0.7107","MoKα","","0.0519","0.036","","","0.0916","0.093","","","","","","0.963","","","","has coordinates","197212","2020-10-21","18:00:00",""
"4514144","6.9311","0.0004","19.6495","0.0009","10.2901","0.0005","90","","104.068","0.005","90","","1359.4","0.12","298","2","298","2","","","","","","","","4","P 1 21/a 1","-P 2yab","14","","","","- C15 H17 N5 O -","- C15 H17 N5 O -","- C60 H68 N20 O4 -","4","1","","Patil, Pravin; Kurpiewska, Katarzyna; Kalinowska-Tłuścik, Justyna; Dömling, Alexander","Ammonia-Promoted One-Pot Tetrazolopiperidinone Synthesis by Ugi Reaction.","ACS combinatorial science","2017","19","5","343","350","10.1021/acscombsci.7b00033","","","0.71073","MoKα","","0.1096","0.054","","","0.0957","0.1213","","","","","","1.067","","","","has coordinates","197213","2020-10-21","18:00:00",""
"4514145","14.5469","0.0005","15.1175","0.0004","15.4719","0.0004","85.09","0.002","61.986","0.003","89.869","0.002","2990.01","0.17","114","2","114","2","","","","","","","","4","P -1","-P 1","2","","","","- C13 H20 N6 O3 -","- C13 H20 N6 O3 -","- C104 H160 N48 O24 -","8","4","","Patil, Pravin; Kurpiewska, Katarzyna; Kalinowska-Tłuścik, Justyna; Dömling, Alexander","Ammonia-Promoted One-Pot Tetrazolopiperidinone Synthesis by Ugi Reaction.","ACS combinatorial science","2017","19","5","343","350","10.1021/acscombsci.7b00033","","","0.7107","MoKα","","0.1075","0.0984","","","0.235","0.2388","","","","","","1.165","","","","has coordinates","197214","2020-10-21","18:00:00",""
"4514146","9.3572","0.0014","14.6849","0.0012","12.2349","0.0017","90","","110.771","0.017","90","","1571.9","0.4","130","2","130","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C17 H20 N6 O -","- C17 H20 N6 O -","- C68 H80 N24 O4 -","4","1","","Patil, Pravin; Kurpiewska, Katarzyna; Kalinowska-Tłuścik, Justyna; Dömling, Alexander","Ammonia-Promoted One-Pot Tetrazolopiperidinone Synthesis by Ugi Reaction.","ACS combinatorial science","2017","19","5","343","350","10.1021/acscombsci.7b00033","","","0.71073","MoKα","","0.1515","0.1095","","","0.2831","0.321","","","","","","1.106","","","","has coordinates","197215","2020-10-21","18:00:00",""
"4514147","9.5857","0.0002","14.8105","0.0002","13.4801","0.0002","90","","110.159","0.002","90","","1796.52","0.06","122.1","0.3","122.1","0.3","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C18 H22 N6 O3 -","- C18 H22 N6 O3 -","- C72 H88 N24 O12 -","4","1","","Patil, Pravin; Kurpiewska, Katarzyna; Kalinowska-Tłuścik, Justyna; Dömling, Alexander","Ammonia-Promoted One-Pot Tetrazolopiperidinone Synthesis by Ugi Reaction.","ACS combinatorial science","2017","19","5","343","350","10.1021/acscombsci.7b00033","","","1.5418","CuKα","","0.0386","0.0339","","","0.1019","0.1108","","","","","","1.032","","","","has coordinates","197216","2020-10-21","18:00:00",""
"4514148","12.0138","0.0003","11.5538","0.0002","16.1111","0.0004","90","","103.49","0.003","90","","2174.6","0.09","130","2","130","2","","","","","","","","4","P 1 21/a 1","-P 2yab","14","","","","- C9 H15 N5 O -","- C9 H15 N5 O -","- C72 H120 N40 O8 -","8","2","","Patil, Pravin; Kurpiewska, Katarzyna; Kalinowska-Tłuścik, Justyna; Dömling, Alexander","Ammonia-Promoted One-Pot Tetrazolopiperidinone Synthesis by Ugi Reaction.","ACS combinatorial science","2017","19","5","343","350","10.1021/acscombsci.7b00033","","","0.71073","MoKα","","0.073","0.0545","","","0.129","0.1412","","","","","","1.052","","","","has coordinates,has disorder","197217","2020-10-21","18:00:00",""
"4514149","11.5385","0.0004","13.156","0.0004","17.7901","0.0004","77.4","0.002","89.452","0.002","64.277","0.003","2363.18","0.14","130.05","0.1","130.05","0.1","","","","","","","","4","P -1","-P 1","2","","","","- C10 H17 N5 O -","- C10 H17 N5 O -","- C80 H136 N40 O8 -","8","4","","Patil, Pravin; Kurpiewska, Katarzyna; Kalinowska-Tłuścik, Justyna; Dömling, Alexander","Ammonia-Promoted One-Pot Tetrazolopiperidinone Synthesis by Ugi Reaction.","ACS combinatorial science","2017","19","5","343","350","10.1021/acscombsci.7b00033","","","1.5418","CuKα","","0.0456","0.039","","","0.1","0.1059","","","","","","1.025","","","","has coordinates","197218","2020-10-21","18:00:00",""
"4514150","11.3633","0.0009","12.479","0.001","16.6341","0.0017","86.351","0.007","72.539","0.008","78.203","0.007","2202.5","0.4","298","","298","","","","","","","","","4","P -1","-P 1","2","","","","- C38 H35.94 N10 O6 -","- C38 H35.935 N10 O6 -","- C76 H71.87 N20 O12 -","2","1","","Rao, H. Surya Prakash; Adigopula, Lakshmi Narayana; Ramadas, Krishna","One-Pot Synthesis of Densely Substituted Pyrazolo[3,4-b]-4,7-dihydropyridines.","ACS combinatorial science","2017","19","5","279","285","10.1021/acscombsci.6b00156","","","0.71073","MoKα","","0.2104","0.1598","","","0.4485","0.4731","","","","","","1.492","","","","has coordinates,has disorder","197219","2020-10-21","18:00:00",""
"4514151","16.7238","0.0018","16.7238","0.0018","23.136","0.003","90","","90","","90","","6470.8","1.3","93","","93","","","","","","","","","7","I 41 c d","I 4bw -2c","110","","","","- C13 H22 F3 Ir N2 O2 S -","- C13 H21 F3 Ir N2 O2 S -","- C208 H336 F48 Ir16 N32 O32 S16 -","16","1","","Matsunami, Asuka; Kuwata, Shigeki; Kayaki, Yoshihito","A Bifunctional Iridium Catalyst Modified for Persistent Hydrogen Generation from Formic Acid: Understanding Deactivation via Cyclometalation of a 1,2-Diphenylethylenediamine Motif","ACS Catalysis","2017","","","4479","","10.1021/acscatal.7b01068","","","0.71075","MoKα","","","0.0234","","","","0.0574","","","","","","1","","","","has coordinates","197576","2020-10-21","18:00:00",""
"4514152","20.7776","","14.3517","","18.813","","90","","111.073","","90","","5234.75","","93","","93","","","","","","","","","7","C 1 2 1","C 2y","5","","","","- C25 H28 F3 Ir N2 O2 S -","- C25 H28 F3 Ir N2 O2 S -","- C200 H224 F24 Ir8 N16 O16 S8 -","8","2","","Matsunami, Asuka; Kuwata, Shigeki; Kayaki, Yoshihito","A Bifunctional Iridium Catalyst Modified for Persistent Hydrogen Generation from Formic Acid: Understanding Deactivation via Cyclometalation of a 1,2-Diphenylethylenediamine Motif","ACS Catalysis","2017","","","4479","","10.1021/acscatal.7b01068","","","0.71075","MoKα","","","0.0359","","","","0.0935","","","","","","1","","","","has coordinates","197577","2020-10-21","18:00:00",""
"4514153","11.168","0.003","11.884","0.003","16.488","0.004","90","","104.162","0.003","90","","2121.8","0.9","93","","93","","","","","","","","","8","P 1 21/c 1","-P 2ybc","14","","","","- C14 H23 Cl3 F3 Ir N2 O2 S -","- C14 H23 Cl3 F3 Ir N2 O2 S -","- C56 H92 Cl12 F12 Ir4 N8 O8 S4 -","4","1","","Matsunami, Asuka; Kuwata, Shigeki; Kayaki, Yoshihito","A Bifunctional Iridium Catalyst Modified for Persistent Hydrogen Generation from Formic Acid: Understanding Deactivation via Cyclometalation of a 1,2-Diphenylethylenediamine Motif","ACS Catalysis","2017","","","4479","","10.1021/acscatal.7b01068","","","0.71075","MoKα","","","0.0381","","","","0.1014","","","","","","1","","","","has coordinates","197578","2020-10-21","18:00:00",""
"4514154","7.8153","0.0007","11.0933","0.001","11.0932","0.0012","78.955","0.007","85.104","0.007","77.783","0.006","921.55","0.16","103","2","103","2","","","","","","","","6","P -1","-P 1","2","","","","- C16 H11 F5 N3 O7 V -","- C16 H11 F5 N3 O7 V -","- C32 H22 F10 N6 O14 V2 -","2","1","","Gazi, Sarifuddin; Đokić, Miloš; Moeljadi, Adhitya Mangala Putra; Ganguly, Rakesh; Hirao, Hajime; Soo, Han Sen","Kinetics and DFT Studies of Photoredox Carbon‒Carbon Bond Cleavage Reactions by Molecular Vanadium Catalysts under Ambient Conditions","ACS Catalysis","2017","7","7","4682","","10.1021/acscatal.7b01036","","","0.71073","MoKα","","0.1149","0.0548","","","0.0998","0.1218","","","","","","0.981","","","","has coordinates","199567","2020-10-21","18:00:00",""
"4514155","13.4096","0.0004","5.2499","0.0002","16.501","0.0006","90","","106.995","0.002","90","","1110.93","0.07","123","","123","","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C25 H22 Br2 F N O -","- C25 H22 Br2 F N O -","- C50 H44 Br4 F2 N2 O2 -","2","1","","Arimitsu, Satoru; Yonamine, Tsunaki; Higashi, Masahiro","Cinchona-Based Primary Amine Catalyzed a Proximal Functionalization of Dienamines: Asymmetric α-Fluorination of α-Branched Enals","ACS Catalysis","2017","","","4736","","10.1021/acscatal.7b01178","","","1.54187","CuKα","","0.11","0.0698","","","0.1417","0.1749","","","","","","1.141","","","","has coordinates,has disorder","197941","2020-10-21","18:00:00",""
"4514156","8.7645","0.0003","11.9515","0.0005","15.6337","0.0008","111.859","0.004","95.746","0.003","91.269","0.003","1509.1","0.12","293","2","293","2","","","","","","","","4","P -1","-P 1","2","","","","- C36 H36 N2 O2 -","- C36 H36 N2 O2 -","- C72 H72 N4 O4 -","2","1","","Tomažin, Urša; Grošelj, Uroš; Počkaj, Marta; Požgan, Franc; Štefane, Bogdan; Svete, Jurij","Combinatorial Synthesis of Acacen-Type Ligands and Their Coordination Compounds.","ACS combinatorial science","2017","19","6","386","396","10.1021/acscombsci.7b00027","","","1.54184","CuKα","","0.056","0.046","","","0.1287","0.1415","","","","","","1.035","","","","has coordinates","198341","2020-10-21","18:00:00",""
"4514157","12.4654","0.0002","14.3184","0.0003","14.1523","0.0003","90","","93.932","0.001","90","","2520.02","0.09","293","2","293","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C28 H34 Cu N2 O2 -","- C28 H34 Cu N2 O2 -","- C112 H136 Cu4 N8 O8 -","4","2","","Tomažin, Urša; Grošelj, Uroš; Počkaj, Marta; Požgan, Franc; Štefane, Bogdan; Svete, Jurij","Combinatorial Synthesis of Acacen-Type Ligands and Their Coordination Compounds.","ACS combinatorial science","2017","19","6","386","396","10.1021/acscombsci.7b00027","","","0.71073","MoKα","","0.0719","0.0455","","","0.1307","0.1711","","","","","","1.161","","","","has coordinates","198342","2020-10-21","18:00:00",""
"4514158","7.1346","0.0003","14.8376","0.0006","15.0064","0.0006","90","","98.492","0.002","90","","1571.17","0.11","110","2","110","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C14 H13 Cl3 O4 -","- C14 H13 Cl3 O4 -","- C56 H52 Cl12 O16 -","4","2","","Cruchter, Thomas; Medvedev, Michael G.; Shen, Xiaodong; Mietke, Thomas; Harms, Klaus; Marsch, Michael; Meggers, Eric","Asymmetric Nucleophilic Catalysis with an Octahedral Chiral-at-Metal Iridium(III) Complex","ACS Catalysis","2017","7","8","5151","","10.1021/acscatal.7b01296","","","0.71073","MoKα","","0.0292","0.0249","","","0.0525","0.0539","","","","","","1.036","","","","has coordinates","200649","2020-10-21","18:00:00",""
"4514159","8.809","0.003","15.299","0.005","16.461","0.005","90","","93.573","0.006","90","","2214.1","1.2","100","2","100.06","","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","","","- C22 H38 Si2 -","- C22 H38 Si2 -","- C88 H152 Si8 -","4","1","","Chen, Jiazhen; Gao, Yanshan; Xiong, Shuoyan; Delferro, Massimiliano; Lohr, Tracy L.; Marks, Tobin J.","Metal and Counteranion Nuclearity Effects in Organoscandium-Catalyzed Isoprene Polymerization and Copolymerization","ACS Catalysis","2017","7","8","5214","","10.1021/acscatal.7b01621","","","0.71073","MoKα","","0.0396","0.0318","","","0.0929","0.0988","","","","","","1.028","","","","has coordinates","200647","2020-10-21","18:00:00",""
"4514160","14.3075","0.0014","24.95","0.002","17.0373","0.0016","90","","98.009","0.006","90","","6022.5","1","100","2","100.05","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C48 H100 O2 Sc2 Si6 -","- C48 H100 O2 Sc2 Si6 -","- C192 H400 O8 Sc8 Si24 -","4","1","","Chen, Jiazhen; Gao, Yanshan; Xiong, Shuoyan; Delferro, Massimiliano; Lohr, Tracy L.; Marks, Tobin J.","Metal and Counteranion Nuclearity Effects in Organoscandium-Catalyzed Isoprene Polymerization and Copolymerization","ACS Catalysis","2017","7","8","5214","","10.1021/acscatal.7b01621","","","0.71073","MoKα","","0.0988","0.0586","","","0.1292","0.1513","","","","","","1.079","","","","has coordinates,has disorder","200647","2020-10-21","18:00:00",""
"4514161","21.2602","0.0005","21.2602","0.0005","10.1814","0.0003","90","","90","","120","","3985.41","0.18","110.05","0.1","110.05","0.1","","","","","","","","4","R 3","R 3","146","","","","- C20 H20 N2 O3 -","- C20 H20 N2 O3 -","- C180 H180 N18 O27 -","9","","","Reay, Alan J.; Hammarback, L. Anders; Bray, Joshua T. W.; Sheridan, Thomas; Turnbull, David; Whitwood, Adrian C.; Fairlamb, Ian J. S.","Mild and Regioselective Pd(OAc)2-Catalyzed C‒H Arylation of Tryptophans by [ArN2]X, Promoted by Tosic Acid","ACS Catalysis","2017","","","5174","","10.1021/acscatal.6b03121","","x-ray","0.71073","MoKα","","0.0404","0.0363","","","0.0863","0.09","","","","","","1.048","","","","has coordinates","198646","2020-10-21","18:00:00",""
"4514162","8.7152","0.0003","13.5902","0.0004","8.7625","0.0003","90","","100.507","0.003","90","","1020.44","0.06","110.05","0.1","110.05","0.1","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C23 H26 N2 O3 -","- C23 H26 N2 O3 -","- C46 H52 N4 O6 -","2","1","","Reay, Alan J.; Hammarback, L. Anders; Bray, Joshua T. W.; Sheridan, Thomas; Turnbull, David; Whitwood, Adrian C.; Fairlamb, Ian J. S.","Mild and Regioselective Pd(OAc)2-Catalyzed C‒H Arylation of Tryptophans by [ArN2]X, Promoted by Tosic Acid","ACS Catalysis","2017","","","5174","","10.1021/acscatal.6b03121","","x-ray","1.54184","CuKα","","0.0359","0.0342","","","0.0893","0.0912","","","","","","1.033","","","","has coordinates","198646","2020-10-21","18:00:00",""
"4514163","20.7806","0.0002","20.7806","0.0002","11.18107","0.00013","90","","90","","120","","4181.48","0.07","110.05","0.1","110.05","0.1","","","","","","","","5","R 3","R 3","146","","","","- C20 H19 Cl N2 O3 -","- C20 H19 Cl N2 O3 -","- C180 H171 Cl9 N18 O27 -","9","","","Reay, Alan J.; Hammarback, L. Anders; Bray, Joshua T. W.; Sheridan, Thomas; Turnbull, David; Whitwood, Adrian C.; Fairlamb, Ian J. S.","Mild and Regioselective Pd(OAc)2-Catalyzed C‒H Arylation of Tryptophans by [ArN2]X, Promoted by Tosic Acid","ACS Catalysis","2017","","","5174","","10.1021/acscatal.6b03121","","x-ray","1.54184","CuKα","","0.0219","0.0217","","","0.055","0.0552","","","","","","1.052","","","","has coordinates","198646","2020-10-21","18:00:00",""
"4514164","22.1203","0.0005","7.6123","0.0001","16.3803","0.0004","90","","127.077","0.004","90","","2200.58","0.14","290","2","290","2","","","","","","","","5","C 1 2 1","C 2y","5","","","","- C55 H44 Cl2 N2 O4 -","- C55 H44 Cl2 N2 O4 -","- C110 H88 Cl4 N4 O8 -","2","0.5","","He, Congfa; Hou, Mengqing; Zhu, Zixi; Gu, Zhenhua","Enantioselective Synthesis of Indole-Based Biaryl Atropisomers via Palladium-Catalyzed Dynamic Kinetic Intramolecular C‒H Cyclization","ACS Catalysis","2017","7","8","5316","","10.1021/acscatal.7b01855","","","1.54184","CuKα","","0.0371","0.0365","","","0.1008","0.1017","","","","","","1.056","","","","has coordinates","200646","2020-10-21","18:00:00",""
"4514165","6.2288","0.0012","12.593","0.003","30.216","0.005","90","","90","","90","","2370.1","0.8","100","2","100","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","CS1JMG-P3B - 17SRA001","","","- C29 H31 B O2 -","- C29 H31 B O2 -","- C116 H124 B4 O8 -","4","1","","Mateos, Jaime; Rivera-Chao, Eva; Fañanás-Mastral, Martín","Synergistic Copper/Palladium Catalysis for the Regio- and Stereoselective Synthesis of Borylated Skipped Dienes","ACS Catalysis","2017","","","5340","","10.1021/acscatal.7b01833","","","0.71073","MoKα","","0.1868","0.0717","","","0.1148","0.1539","","","","","","0.991","","","","has coordinates","198759","2020-10-21","18:00:00",""
"4514166","12.8527","0.0008","12.8527","0.0008","10.7921","0.0007","90","","90","","90","","1782.77","0.19","100","2","100","2","","","","","","","","3","P -4 21 c","P -4 2n","114","","","","- C9 H14 O4 -","- C9 H14 O4 -","- C72 H112 O32 -","8","1","","Laserna, Victor; Martin, Eddy; Escudero-Adán, Eduardo C.; Kleij, Arjan W.","Substrate-Triggered Stereoselective Preparation of Highly Substituted Organic Carbonates","ACS Catalysis","2017","7","8","5478","","10.1021/acscatal.7b01748","","","0.71073","MoKα","","0.0337","0.0315","","","0.0862","0.0876","","","","","","1.115","","","","has coordinates","200648","2020-10-21","18:00:00",""
"4514167","6.5169","0.001","11.8049","0.0018","9.5214","0.0015","90","","105.261","0.005","90","","706.66","0.19","100","2","100","2","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","","","- C7 H10 O4 -","- C7 H10 O4 -","- C28 H40 O16 -","4","1","","Laserna, Victor; Martin, Eddy; Escudero-Adán, Eduardo C.; Kleij, Arjan W.","Substrate-Triggered Stereoselective Preparation of Highly Substituted Organic Carbonates","ACS Catalysis","2017","7","8","5478","","10.1021/acscatal.7b01748","","","0.71073","MoKα","","0.0479","0.0386","","","0.0965","0.1005","","","","","","1.113","","","","has coordinates","200648","2020-10-21","18:00:00",""
"4514168","8.3814","0.0004","7.0296","0.0003","12.3499","0.0005","90","","96.2862","0.0012","90","","723.26","0.05","100","2","100","2","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","","","- C7 H10 O4 -","- C7 H10 O4 -","- C28 H40 O16 -","4","1","","Laserna, Victor; Martin, Eddy; Escudero-Adán, Eduardo C.; Kleij, Arjan W.","Substrate-Triggered Stereoselective Preparation of Highly Substituted Organic Carbonates","ACS Catalysis","2017","7","8","5478","","10.1021/acscatal.7b01748","","","0.71073","MoKα","","0.0425","0.0381","","","0.0999","0.1034","","","","","","1.103","","","","has coordinates","200648","2020-10-21","18:00:00",""
"4514169","8.9232","0.0014","17.371","0.003","23.537","0.004","90","","90","","90","","3648.4","1.1","173.15","","173.15","","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C42 H29 Cl F6 N2 O3 -","- C42 H29 Cl F6 N2 O3 -","- C168 H116 Cl4 F24 N8 O12 -","4","1","","Yang, Wenjun; Sun, Wei; Zhang, Cheng; Wang, Qijun; Guo, Zhenyan; Mao, Biming; Liao, Jianning; Guo, Hongchao","Lewis-Base-Catalyzed Asymmetric [3 + 3] Annulation Reaction of Morita‒Baylis‒Hillman Carbonates: Enantioselective Synthesis of Spirocyclohexenes","ACS Catalysis","2017","7","5","3142","","10.1021/acscatal.7b00320","","","0.71073","MoKα","","0.0556","0.0484","","","0.0952","0.099","","","","","","1.065","","","","has coordinates,has disorder","199566","2020-10-21","18:00:00",""
"4514170","17.0978","0.0005","15.1411","0.0005","22.9374","0.0007","90","","90","","90","","5938","0.3","100","2","100","2","","","","","","","","6","P b c a","-P 2ac 2ab","61","","","","- C34 H30 Cl Co N4 O4 -","- C34 H30 Cl Co N4 O4 -","- C272 H240 Cl8 Co8 N32 O32 -","8","1","","Somekh, Miriam; Cohen, Hagai; Diskin-Posner, Yael; Shimon, Linda J. W.; Carmieli, Raanan; Rosenberg, Jeffrey N.; Neumann, Ronny","Formation of Alkanes by Aerobic Carbon‒Carbon Bond Coupling Reactions Catalyzed by a Phosphovanadomolybdic Acid","ACS Catalysis","2017","","","2725","","10.1021/acscatal.7b00461","","","0.71073","MoKα","","0.039","0.0294","","","0.073","0.0801","","","","","","1.032","","","","has coordinates","198935","2020-10-21","18:00:00",""
"4514171","5.014","0.001","11.531","0.002","18.198","0.004","90.266","0.005","95.463","0.004","90.212","0.005","1047.3","0.4","296","2","296","2","","","","","","","","4","P 1","P 1","1","","","","- C22 H28 N2 O4 -","- C22 H28 N2 O4 -","- C44 H56 N4 O8 -","2","2","","Misra, Rajkumar; Sharma, Aman; Shiras, Anjali; Gopi, Hosahudya N.","Backbone Engineered γ-Peptide Amphitropic Gels for Immobilization of Semiconductor Quantum Dots and 2D Cell Culture.","Langmuir : the ACS journal of surfaces and colloids","2017","33","31","7762","7768","10.1021/acs.langmuir.7b01283","","","0.71073","MoKα","","0.0575","0.0448","","","0.1336","0.1519","","","","","","0.787","","","","has coordinates","200719","2020-10-21","18:00:00",""
"4514172","8.4622","0.0007","9.685","0.0008","22.9564","0.0019","90","","90","","90","","1881.4","0.3","130","","130","","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C22 H24 O4 -","- C22 H24 O4 -","- C88 H96 O16 -","4","1","","Chong, Qinglei; Yue, Zhenting; Zhang, Shuoqing; Ji, Chonglei; Cheng, Fengchang; Zhang, Haiyan; Hong, Xin; Meng, Fanke","N-heterocyclic Carbene‒Cu-Catalyzed Enantioselective Conjugate Additions with Alkenylboronic Esters as Nucleophiles","ACS Catalysis","2017","","","5693","","10.1021/acscatal.7b02132","","","0.71073","MoKα","","0.0476","0.039","","","0.094","0.0992","","","","","","1.015","","","","has coordinates","199502","2020-10-21","18:00:00",""
"4514173","16.2948","0.0006","17.0253","0.0007","20.361","0.0008","90","","103.07","0.001","90","","5502.3","0.4","173","2","173","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C55.5 H71 O10.5 Rh2 -","- C55.5 H71 O10.5 Rh2 -","- C222 H284 O42 Rh8 -","4","1","","Chen, Po-An; Setthakarn, Krit; May, Jeremy A.","A Binaphthyl-Based Scaffold for a Chiral Dirhodium(II) Biscarboxylate Ligand with α-Quaternary Carbon Centers","ACS Catalysis","2017","7","9","6155","","10.1021/acscatal.7b01388","","","1.54178","CuKα","","0.0271","0.0259","","","0.0648","0.0655","","","","","","1.061","","","","has coordinates,has disorder","200147","2020-10-21","18:00:00",""
"4514174","16.7486","0.0003","16.7486","0.0003","19.0019","0.0006","90","","90","","120","","4616.2","0.19","293","2","293","2","","","","","","","","5","P 63/m m c","-P 6c 2c","194","","","","- C42 H25 N18 O7 Zn3 -","- C42 H24 N18 O7 Zn3 -","- C84 H48 N36 O14 Zn6 -","2","0.0833333","","Chen, Di-Ming; Zhang, Nan-Nan; Liu, Chun-Sen; Du, Miao","Dual-Emitting Dye@MOF Composite as a Self-Calibrating Sensor for 2,4,6-Trinitrophenol.","ACS applied materials & interfaces","2017","9","29","24671","24677","10.1021/acsami.7b07901","","x-ray","1.54184","CuKα","","0.0676","0.066","","","0.1935","0.1947","","","","","","1.107","","","","has coordinates,has disorder","200216","2020-10-21","18:00:00",""
"4514175","18.906","0.0006","18.906","0.0006","13.6216","0.0008","90","","90","","90","","4868.9","0.4","373.01","0.1","373.01","0.1","","","","","","","","4","P 4/n m m","-P 4a 2a","129","","","","- C25 H15 Cu2 O8 -","- C25 H14.5 Cu2 O8 -","- C100 H58 Cu8 O32 -","4","","","Chen, Ya; Wang, Bin; Wang, Xiaoqing; Xie, Lin-Hua; Li, Jinping; Xie, Yabo; Li, Jian-Rong","A Copper(II)-Paddlewheel Metal-Organic Framework with Exceptional Hydrolytic Stability and Selective Adsorption and Detection Ability of Aniline in Water.","ACS applied materials & interfaces","2017","9","32","27027","27035","10.1021/acsami.7b07920","","x-ray","1.54184","CuKα","","0.1468","0.0665","","","0.1536","0.1916","","","","","","0.982","","","","has coordinates,has disorder","200217","2020-10-21","18:00:00",""
"4514176","18.8441","0.0005","18.8441","0.0005","13.4252","0.0006","90","","90","","90","","4767.3","0.3","290.91","0.1","290.91","0.1","","","","","","","","4","P 4/n m m","-P 4a 2a","129","","","","- C25 H19 Cu2 O10 -","- C25 H15 Cu2 O10 -","- C100 H60 Cu8 O40 -","4","","","Chen, Ya; Wang, Bin; Wang, Xiaoqing; Xie, Lin-Hua; Li, Jinping; Xie, Yabo; Li, Jian-Rong","A Copper(II)-Paddlewheel Metal-Organic Framework with Exceptional Hydrolytic Stability and Selective Adsorption and Detection Ability of Aniline in Water.","ACS applied materials & interfaces","2017","9","32","27027","27035","10.1021/acsami.7b07920","","x-ray","1.54184","CuKα","","0.0977","0.0752","","","0.2399","0.2681","","","","","","0.99","","","","has coordinates,has disorder","200217","2020-10-21","18:00:00",""
"4514177","18.9911","0.001","18.9911","0.001","13.4276","0.0013","90","","90","","90","","4842.8","0.6","100.01","0.1","100.01","0.1","","","","","","","","4","P 4/n m m","-P 4a 2a","129","","","","- C100 H168.96 Cu8 O86.48 -","- C100 H60 Cu8 O86.48 -","- C100 H60 Cu8 O86.48 -","1","","","Chen, Ya; Wang, Bin; Wang, Xiaoqing; Xie, Lin-Hua; Li, Jinping; Xie, Yabo; Li, Jian-Rong","A Copper(II)-Paddlewheel Metal-Organic Framework with Exceptional Hydrolytic Stability and Selective Adsorption and Detection Ability of Aniline in Water.","ACS applied materials & interfaces","2017","9","32","27027","27035","10.1021/acsami.7b07920","","","1.54184","CuKα","","0.1392","0.0903","","","0.2557","0.2974","","","","","","1.028","","","","has coordinates,has disorder","200217","2020-10-21","18:00:00",""
"4514178","18.917","0.0005","18.917","0.0005","13.5692","0.0005","90","","90","","90","","4855.8","0.3","99.97","0.1","99.97","0.1","","","","","","","","4","P 4/n m m","-P 4a 2a","129","","","","- C25 H26.2 Cu2 O13.6 -","- C25 H14.5 Cu2 O13.6 -","- C100 H58 Cu8 O54.4 -","4","","","Chen, Ya; Wang, Bin; Wang, Xiaoqing; Xie, Lin-Hua; Li, Jinping; Xie, Yabo; Li, Jian-Rong","A Copper(II)-Paddlewheel Metal-Organic Framework with Exceptional Hydrolytic Stability and Selective Adsorption and Detection Ability of Aniline in Water.","ACS applied materials & interfaces","2017","9","32","27027","27035","10.1021/acsami.7b07920","","","1.54184","CuKα","","0.1317","0.0967","","","0.3107","0.342","","","","","","1.269","","","","has coordinates,has disorder","200217","2020-10-21","18:00:00",""
"4514179","18.8487","0.0002","18.8487","0.0002","13.8659","0.0003","90","","90","","90","","4926.19","0.13","100","2","100","2","","","","","","","","5","P 4/n m m","-P 4a 2a","129","","","","- C40 H27 Cu2 N2.5 O8 -","- C40 H27 Cu2 N2.5 O8 -","- C160 H108 Cu8 N10 O32 -","4","","","Chen, Ya; Wang, Bin; Wang, Xiaoqing; Xie, Lin-Hua; Li, Jinping; Xie, Yabo; Li, Jian-Rong","A Copper(II)-Paddlewheel Metal-Organic Framework with Exceptional Hydrolytic Stability and Selective Adsorption and Detection Ability of Aniline in Water.","ACS applied materials & interfaces","2017","9","32","27027","27035","10.1021/acsami.7b07920","","","1.54184","CuKα","","0.0901","0.0797","","","0.2487","0.2594","","","","","","0.967","","","","has coordinates","200217","2020-10-21","18:00:00",""
"4514180","34.23","","34.23","","48.409","0.006","90","","90","","90","","56720","7","110","2","110","2","","","","","","","","5","I 4/m","-I 4","87","Cr-3 cub","","","- C456 H576 Cr24 O120 Si24 -","- C456 H576 Cr24 O120 Si24 -","- C912 H1152 Cr48 O240 Si48 -","2","0.125","","Park, Jinhee; Perry, Zachary; Chen, Ying-Pin; Bae, Jaeyeon; Zhou, Hong-Cai","Chromium(II) Metal-Organic Polyhedra as Highly Porous Materials.","ACS applied materials & interfaces","2017","9","33","28064","28068","10.1021/acsami.7b09339","","","0.41328","Synchrotronat15-IDSecofArgonneNationalLab","","0.2126","0.1331","","","0.3081","0.3228","","","","","","1.003","","","","has coordinates","200218","2020-10-21","18:00:00",""
"4514181","11.5039","0.0005","13.4991","0.0006","13.6851","0.0006","106.885","0.001","108.723","0.001","94.03","0.001","1894.35","0.15","296","2","296.15","","","","","","","","","5","P -1","-P 1","2","","Bis-AO","","- C1.74 H2.33 Cl0.1 N0.46 O0.36 -","- C1.74359 H2.33272 Cl0.102564 N0.461538 O0.358974 -","- C68 H90.976 Cl4 N18 O14 -","39","19.5","","Piechowicz, Marek; Abney, Carter W.; Thacker, Nathan C.; Gilhula, James C.; Wang, Youfu; Veroneau, Samuel S.; Hu, Aiguo; Lin, Wenbin","Successful Coupling of a Bis-Amidoxime Uranophile with a Hydrophilic Backbone for Selective Uranium Sequestration.","ACS applied materials & interfaces","2017","9","33","27894","27904","10.1021/acsami.7b04656","","","0.43128","","","0.0654","0.0581","","","0.1709","0.1789","","","","","","1.074","","","","has coordinates,has disorder","200219","2020-10-21","18:00:00",""
"4514182","19.841","","10.611","","24.928","","90","","101.79","","90","","5137.44","","120","2","120","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C58 H70 N2 O2 S4 -","- C58.029 H69.058 N2 O2 S4 -","- C232.116 H276.232 N8 O8 S16 -","4","1","","Cole, Jacqueline M.; Blood-Forsythe, Martin A; Lin, Tze-Chia; Pattison, Philip; Gong, Yun; Vázquez-Mayagoitia, Álvaro; Waddell, Paul G.; Zhang, Lei; Koumura, Nagatoshi; Mori, Shogo","Discovery of S···C≡N Intramolecular Bonding in a Thiophenylcyanoacrylate-Based Dye: Realizing Charge Transfer Pathways and Dye···TiO2 Anchoring Characteristics for Dye-Sensitized Solar Cells.","ACS applied materials & interfaces","2017","9","31","25952","25961","10.1021/acsami.7b03522","","","0.698","synchrotron","","0.1493","0.0994","","","0.2035","0.2241","","","","","","1.137","","","","has coordinates,has disorder","200220","2020-10-21","18:00:00",""
"4514183","18.2889","0.0006","18.1841","0.0007","18.6875","0.0006","90","","111.842","0.003","90","","5768.7","0.4","99.93","","99.93","","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C46 H96 O2 Sc2 Si6 -","- C46 H96 O2 Sc2 Si6 -","- C184 H384 O8 Sc8 Si24 -","4","1","","Chen, Jiazhen; Gao, Yanshan; Xiong, Shuoyan; Delferro, Massimiliano; Lohr, Tracy L.; Marks, Tobin J.","Metal and Counteranion Nuclearity Effects in Organoscandium-Catalyzed Isoprene Polymerization and Copolymerization","ACS Catalysis","2017","7","8","5214","","10.1021/acscatal.7b01621","","","1.54178","CuKα","","0.1182","0.082","","","0.2147","0.2436","","","","","","1.024","","","","has coordinates","200222","2020-10-21","18:00:00",""
"4514184","29.449","0.003","4.6494","0.0005","29.503","0.003","90","","103.649","0.003","90","","3925.5","0.7","100","2","99.98","","","","","","","","","7","P 1 2/n 1","-P 2yac","13","","","","- C19 H12 Au Cl0.25 F6 N O4 -","- C19 H12 Au Cl0.25 F6 N O4 -","- C152 H96 Au8 Cl2 F48 N8 O32 -","8","2","","Holmsen, Marte Sofie Martinsen; Nova, Ainara; Balcells, David; Langseth, Eirin; Øien-Ødegaard, Sigurd; Heyn, Richard H.; Tilset, Mats; Laurenczy, Gábor","trans-Mutation at Gold(III): A Mechanistic Study of a Catalytic Acetylene Functionalization via a Double Insertion Pathway","ACS Catalysis","2017","7","8","5023","","10.1021/acscatal.7b01364","","x-ray","0.71073","MoKα","","0.0529","0.0525","","","0.117","0.1172","","","","","","1.268","","","","has coordinates","200223","2020-10-21","18:00:00",""
"4514185","9.8901","0.0018","10.4204","0.0019","12.056","0.002","68.572","0.002","85.149","0.002","69.897","0.002","1084.9","0.3","296","2","296","2","","","","","","","","4","P -1","-P 1","2","","","","- C25 H21 O P -","- C25 H21 O P -","- C50 H42 O2 P2 -","2","1","","Toda, Yasunori; Sakamoto, Tomoyuki; Komiyama, Yutaka; Kikuchi, Ayaka; Suga, Hiroyuki","A Phosphonium Ylide as an Ionic Nucleophilic Catalyst for Primary Hydroxyl Group Selective Acylation of Diols","ACS Catalysis","2017","7","9","6150","","10.1021/acscatal.7b02281","","","0.71073","","","0.0454","0.0402","","","0.1289","0.133","","","","","","1.369","","","","has coordinates","200224","2020-10-21","18:00:00",""
"4514186","10.6055","0.0004","14.1632","0.0005","20.1734","0.0008","90","","90","","90","","3030.2","0.2","293","2","293","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","5'-amino-1,2'-dimethyl-1',2,3'-trioxo-1',2',3',7a'-tetrahydrospiro [indoline-3,7'-pyrrolo[1,2-<i>c</i>]imidazole]-6'-carbonitrile","","- C16 H13 N5 O3 -","- C16 H13 N5 O3 -","- C128 H104 N40 O24 -","8","1","","Rajarathinam, Balakrishnan; Kumaravel, Kandhasamy; Vasuki, Gnanasambandam","""In Water"": Organocatalyzed Diastereoselective Multicomponent Reactions toward 2-Azapyrrolizidine Alkaloid Scaffolds.","ACS combinatorial science","2017","19","7","455","463","10.1021/acscombsci.7b00038","","","0.7107","MoKα","","0.1072","0.0532","","","0.1116","0.1354","","","","","","1.018","","","","has coordinates","200225","2020-10-21","18:00:00",""
"4514187","15.4176","0.0016","11.3505","0.0012","20.247","0.002","90","","90","","90","","3543.2","0.6","296","2","296","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C22 H23 N O -","- C22 H23 N O -","- C176 H184 N8 O8 -","8","1","","Li, Yang; Hu, Ming; Li, Jin-Heng","Silver-Catalyzed Intermolecular [3 + 2]/[5 + 2] Annulation of N-Arylpropiolamides with Vinyl Acids: Facile Synthesis of Fused 2H-Benzo[b]azepin-2-ones","ACS Catalysis","2017","7","10","6757","","10.1021/acscatal.7b02061","","","0.71073","MoKα","","0.0713","0.0421","","","0.0979","0.1124","","","","","","1.024","","","","has coordinates","202645","2020-10-21","18:00:00",""
"4514188","6.3768","0.0006","10.567","0.0009","11.5596","0.001","108.484","0.003","92.159","0.003","106.084","0.003","703.06","0.11","150","2","150","2","","","","","","","","4","P -1","-P 1","2","","","","- C18 H20 N2 O2 -","- C18 H20 N2 O2 -","- C36 H40 N4 O4 -","2","1","","Mampuys, Pieter; Neumann, Helfried; Sergeyev, Sergey; Orru, Romano V. A.; Jiao, Haijun; Spannenberg, Anke; Maes, Bert U. W.; Beller, Matthias","Combining Isocyanides with Carbon Dioxide in Palladium-Catalyzed Heterocycle Synthesis: N3-Substituted Quinazoline-2,4(1H,3H)-diones via a Three-Component Reaction","ACS Catalysis","2017","7","8","5549","","10.1021/acscatal.7b01503","","","1.54178","CuKα","","0.0396","0.0379","","","0.1029","0.1053","","","","","","1.032","","","","has coordinates","200418","2020-10-21","18:00:00",""
"4514189","10.3381","0.0003","12.1298","0.0003","12.7543","0.0003","98.7084","0.0007","97.6979","0.0007","101.969","0.0007","1523.79","0.07","150","2","150","2","","","","","","","","4","P -1","-P 1","2","","","","- C16 H22 N2 O2 -","- C16 H22 N2 O2 -","- C64 H88 N8 O8 -","4","2","","Mampuys, Pieter; Neumann, Helfried; Sergeyev, Sergey; Orru, Romano V. A.; Jiao, Haijun; Spannenberg, Anke; Maes, Bert U. W.; Beller, Matthias","Combining Isocyanides with Carbon Dioxide in Palladium-Catalyzed Heterocycle Synthesis: N3-Substituted Quinazoline-2,4(1H,3H)-diones via a Three-Component Reaction","ACS Catalysis","2017","7","8","5549","","10.1021/acscatal.7b01503","","","0.71073","MoKα","","0.0485","0.0397","","","0.0988","0.1065","","","","","","1.031","","","","has coordinates","200419","2020-10-21","18:00:00",""
"4514190","13.5317","0.0006","16.7932","0.0007","14.6934","0.0006","90","","95.148","0.002","90","","3325.5","0.2","100","2","100","2","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C27 H52 Cl N O P4 W -","- C27 H52 Cl N O P4 W -","- C108 H208 Cl4 N4 O4 P16 W4 -","4","1","","Rudshteyn, Benjamin; Vibbert, Hunter B.; May, Richard; Wasserman, Eric; Warnke, Ingolf; Hopkins, Michael D.; Batista, Victor S.","Thermodynamic and Structural Factors That Influence the Redox Potentials of Tungsten‒Alkylidyne Complexes","ACS Catalysis","2017","7","9","6134","","10.1021/acscatal.7b01636","","","0.71073","MoKα","","0.0395","0.0209","","","0.0338","0.037","","","","","","1.076","","","","has coordinates,has disorder","200420","2020-10-21","18:00:00",""
"4514191","9.67","0.002","7.9813","0.0016","25.577","0.006","90","","97.063","0.005","90","","1959","0.7","100","2","100","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C22 H27 N3 O2 -","- C22 H27 N3 O2 -","- C88 H108 N12 O8 -","4","1","","Hsu, Wei-Shun; Tsai, Min-Huan; Barve, Indrajeet J.; Yellol, Gorakh S.; Sun, Chung-Ming","Synthesis of Aminofuran-Linked Benzimidazoles and Cyanopyrrole-Fused Benzimidazoles by Condition-Based Skeletal Divergence.","ACS combinatorial science","2017","19","7","492","499","10.1021/acscombsci.7b00052","","","0.71073","MoKα","","0.1282","0.0528","","","0.1144","0.1431","","","","","","0.987","","","","has coordinates","200421","2020-10-21","18:00:00",""
"4514192","5.172","0.008","27.15","0.04","9.752","0.014","90","","95.2","0.03","90","","1364","4","296","2","296","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C29 H38 N2 O5 -","- C29 H40 N2 O5 -","- C58 H80 N4 O10 -","2","1","","Misra, Rajkumar; Sharma, Aman; Shiras, Anjali; Gopi, Hosahudya N.","Backbone Engineered γ-Peptide Amphitropic Gels for Immobilization of Semiconductor Quantum Dots and 2D Cell Culture.","Langmuir : the ACS journal of surfaces and colloids","2017","33","31","7762","7768","10.1021/acs.langmuir.7b01283","","","0.71073","MoKα","","0.1692","0.071","","","0.1549","0.2142","","","","","","0.898","","","","has coordinates","200482","2020-10-21","18:00:00",""
"4514193","16.9652","0.0006","19.7318","0.0008","24.8974","0.0011","90","","90","","90","","8334.5","0.6","147","2","147","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C37.21 H40.41 Cl2.41 Cu I N6 -","- C37.2095 H40.419 Cl2.419 Cu I N6 -","- C297.676 H323.352 Cl19.352 Cu8 I8 N48 -","8","2","","Wan, Kai Y.; Sung, Molly M. H.; Lough, Alan J.; Morris, Robert H.","Half-Sandwich Ruthenium Catalyst Bearing an Enantiopure Primary Amine Tethered to an N-Heterocyclic Carbene for Ketone Hydrogenation","ACS Catalysis","2017","7","10","6827","","10.1021/acscatal.7b02346","","","1.54178","CuKα","","0.0677","0.0528","","","0.1367","0.1484","","","","","","1.036","","","","has coordinates","202642","2020-10-21","18:00:00",""
"4514194","12.3832","0.0005","17.1052","0.0006","17.3844","0.0007","90","","106.111","0.002","90","","3537.7","0.2","100","","100","","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C43 H43 Cl Ni P2 -","- C36 H35 Cl Ni P2 -","- C144 H140 Cl4 Ni4 P8 -","4","1","","Mifleur, Alexis; Mérel, Delphine S.; Mortreux, André; Suisse, Isabelle; Capet, Frédéric; Trivelli, Xavier; Sauthier, Mathieu; Macgregor, Stuart A.","Deciphering the Mechanism of the Nickel-Catalyzed Hydroalkoxylation Reaction: A Combined Experimental and Computational Study","ACS Catalysis","2017","7","10","6915","","10.1021/acscatal.7b00616","","","0.71073","MoKα","","0.0364","0.0301","","","0.0714","0.0747","","","","","","1.038","","","","has coordinates,has disorder","202644","2020-10-21","18:00:00",""
"4514195","10.3622","0.0004","11.0841","0.0003","13.1883","0.0005","100.947","0.002","102.623","0.002","105.014","0.002","1377.98","0.09","100","","100","","","","","","","","","5","P -1","-P 1","2","","","","- C32 H35 Cl Ni P2 -","- C32 H35 Cl Ni P2 -","- C64 H70 Cl2 Ni2 P4 -","2","1","","Mifleur, Alexis; Mérel, Delphine S.; Mortreux, André; Suisse, Isabelle; Capet, Frédéric; Trivelli, Xavier; Sauthier, Mathieu; Macgregor, Stuart A.","Deciphering the Mechanism of the Nickel-Catalyzed Hydroalkoxylation Reaction: A Combined Experimental and Computational Study","ACS Catalysis","2017","7","10","6915","","10.1021/acscatal.7b00616","","","0.71073","MoKα","","0.0539","0.0384","","","0.088","0.0954","","","","","","1.041","","","","has coordinates","202644","2020-10-21","18:00:00",""
"4514196","9.1605","0.0004","12.4145","0.0005","15.8667","0.0007","91.003","0.002","105.64","0.002","97.611","0.002","1719.61","0.13","173.15","","173.15","","","","","","","","","4","P -1","-P 1","2","","","","- C39 H52 Hf N2 -","- C39 H52 Hf N2 -","- C78 H104 Hf2 N4 -","2","1","","Domski, Gregory J.; Eagan, James M.; De Rosa, Claudio; Di Girolamo, Rocco; LaPointe, Anne M.; Lobkovsky, Emil B.; Talarico, Giovanni; Coates, Geoffrey W.","Combined Experimental and Theoretical Approach for Living and Isoselective Propylene Polymerization","ACS Catalysis","2017","7","10","6930","","10.1021/acscatal.7b02107","","","0.71073","MoKα","","0.0257","0.0213","","","0.0526","0.0534","","","","","","1.102","","","","has coordinates","202648","2020-10-21","18:00:00",""
"4514197","10.3324","0.0008","14.8323","0.0011","16.0844","0.0012","90","","97.923","0.003","90","","2441.5","0.3","173.15","","173.15","","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C28 H36 Hf N2 -","- C28 H36 Hf N2 -","- C112 H144 Hf4 N8 -","4","1","","Domski, Gregory J.; Eagan, James M.; De Rosa, Claudio; Di Girolamo, Rocco; LaPointe, Anne M.; Lobkovsky, Emil B.; Talarico, Giovanni; Coates, Geoffrey W.","Combined Experimental and Theoretical Approach for Living and Isoselective Propylene Polymerization","ACS Catalysis","2017","7","10","6930","","10.1021/acscatal.7b02107","","","0.71073","MoKα","","0.0407","0.0287","","","0.057","0.0609","","","","","","1.063","","","","has coordinates","202648","2020-10-21","18:00:00",""
"4514198","11.0762","0.0007","11.953","0.0008","12.8362","0.0009","79.555","0.003","66.82","0.003","67.872","0.003","1446.09","0.17","173.15","","173.15","","","","","","","","","4","P -1","-P 1","2","","","","- C33 H40 Hf N2 -","- C33 H40 Hf N2 -","- C66 H80 Hf2 N4 -","2","1","","Domski, Gregory J.; Eagan, James M.; De Rosa, Claudio; Di Girolamo, Rocco; LaPointe, Anne M.; Lobkovsky, Emil B.; Talarico, Giovanni; Coates, Geoffrey W.","Combined Experimental and Theoretical Approach for Living and Isoselective Propylene Polymerization","ACS Catalysis","2017","7","10","6930","","10.1021/acscatal.7b02107","","","0.71073","MoKα","","0.019","0.0166","","","0.0417","0.043","","","","","","1.083","","","","has coordinates","202648","2020-10-21","18:00:00",""
"4514199","9.6947","0.0004","12.8143","0.0005","22.3108","0.0009","91.516","0.002","95.983","0.002","93.882","0.002","2748.7","0.19","173.15","","173.15","","","","","","","","","4","P -1","-P 1","2","","","","- C32 H38 Hf N2 -","- C32 H38 Hf N2 -","- C128 H152 Hf4 N8 -","4","2","","Domski, Gregory J.; Eagan, James M.; De Rosa, Claudio; Di Girolamo, Rocco; LaPointe, Anne M.; Lobkovsky, Emil B.; Talarico, Giovanni; Coates, Geoffrey W.","Combined Experimental and Theoretical Approach for Living and Isoselective Propylene Polymerization","ACS Catalysis","2017","7","10","6930","","10.1021/acscatal.7b02107","","","0.71073","MoKα","","0.041","0.0299","","","0.0598","0.0635","","","","","","1.042","","","","has coordinates","202648","2020-10-21","18:00:00",""
"4514200","9.3898","0.0005","10.7845","0.0006","13.8529","0.0007","87.005","0.002","78.576","0.002","86.78","0.003","1371.63","0.13","173.15","","173.15","","","","","","","","","4","P -1","-P 1","2","","","","- C32 H36 Hf N2 -","- C32 H36 Hf N2 -","- C64 H72 Hf2 N4 -","2","1","","Domski, Gregory J.; Eagan, James M.; De Rosa, Claudio; Di Girolamo, Rocco; LaPointe, Anne M.; Lobkovsky, Emil B.; Talarico, Giovanni; Coates, Geoffrey W.","Combined Experimental and Theoretical Approach for Living and Isoselective Propylene Polymerization","ACS Catalysis","2017","7","10","6930","","10.1021/acscatal.7b02107","","","0.71073","MoKα","","0.0186","0.0159","","","0.0388","0.0394","","","","","","1.076","","","","has coordinates","202648","2020-10-21","18:00:00",""
"4514201","8.2547","0.0002","11.7633","0.0002","28.9888","0.0007","90","","90","","90","","2814.89","0.11","296","","296","","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C30 H30 Br N3 O4 -","- C30 H30 Br N3 O4 -","- C120 H120 Br4 N12 O16 -","4","1","","Jiang, Fei; Zhao, Dan; Yang, Xue; Yuan, Fu-Ru; Mei, Guang-Jian; Shi, Feng","Catalyst-Controlled Chemoselective and Enantioselective Reactions of Tryptophols with Isatin-Derived Imines","ACS Catalysis","2017","7","10","6984","","10.1021/acscatal.7b02279","","","1.54178","CuKα","","0.0529","0.0404","","","0.1009","0.1097","","","","","","1.025","","","","has coordinates","202643","2020-10-21","18:00:00",""
"4514202","9.6201","0.001","10.3131","0.0012","14.6525","0.0017","78.547","0.009","72.894","0.009","89.686","0.009","1359.6","0.3","296","","296","","","","","","","","","5","P -1","-P 1","2","","","","- C30 H30 Cl N3 O4 -","- C30 H30 Cl N3 O4 -","- C60 H60 Cl2 N6 O8 -","2","1","","Jiang, Fei; Zhao, Dan; Yang, Xue; Yuan, Fu-Ru; Mei, Guang-Jian; Shi, Feng","Catalyst-Controlled Chemoselective and Enantioselective Reactions of Tryptophols with Isatin-Derived Imines","ACS Catalysis","2017","7","10","6984","","10.1021/acscatal.7b02279","","","1.54178","CuKα","","0.1051","0.082","","","0.2112","0.2377","","","","","","1.044","","","","has coordinates","202643","2020-10-21","18:00:00",""
"4514203","27.199","0.004","27.199","0.004","39.14","0.008","90","","90","","90","","28955","8","293","2","293","2","","","","","","","","5","P 4/m n c","-P 4 2n","128","","","","- C72 H91 Cu6 N13 O42 -","- C59 H36 Cu6 N9 O31 -","- C472 H288 Cu48 N72 O248 -","8","0.5","","Liu, Bing; Yao, Shuo; Liu, Xinyao; Li, Xu; Krishna, Rajamani; Li, Guanghua; Huo, Qisheng; Liu, Yunling","Two Analogous Polyhedron-Based MOFs with High Density of Lewis Basic Sites and Open Metal Sites: Significant CO2 Capture and Gas Selectivity Performance.","ACS applied materials & interfaces","2017","9","38","32820","32828","10.1021/acsami.7b10795","","","0.71073","MoKα","","0.0687","0.0498","","","0.1572","0.1668","","","","","","1.079","","","","has coordinates,has disorder","201742","2020-10-21","18:00:00",""
"4514204","27.397","0.004","27.397","0.004","38.876","0.008","90","","90","","90","","29180","9","293","2","293","2","","","","","","","","5","P 4/m n c","-P 4 2n","128","","","","- C70 H83 Cu6 N13 O42 -","- C56 H28 Cu6 N8 O31 -","- C448 H224 Cu48 N64 O248 -","8","0.5","","Liu, Bing; Yao, Shuo; Liu, Xinyao; Li, Xu; Krishna, Rajamani; Li, Guanghua; Huo, Qisheng; Liu, Yunling","Two Analogous Polyhedron-Based MOFs with High Density of Lewis Basic Sites and Open Metal Sites: Significant CO2 Capture and Gas Selectivity Performance.","ACS applied materials & interfaces","2017","9","38","32820","32828","10.1021/acsami.7b10795","","","0.71073","MoKα","","0.066","0.0475","","","0.1529","0.1591","","","","","","1.055","","","","has coordinates,has disorder","201742","2020-10-21","18:00:00",""
"4514205","9.6682","0.0005","10.6608","0.0004","48.1982","0.0018","90","","90","","90","","4967.8","0.4","100","2","100","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C31 H32 Fe O3 -","- C31 H32 Fe O3 -","- C248 H256 Fe8 O24 -","8","2","","Larionov, Evgeny; Mastandrea, Marco M.; Pericàs, Miquel A.","Asymmetric Visible-Light Photoredox Cross-Dehydrogenative Coupling of Aldehydes with Xanthenes","ACS Catalysis","2017","7","10","7008","","10.1021/acscatal.7b02659","","","0.7107","MoKα","","0.117","0.0688","","","0.1322","0.1484","","","","","","1.031","","","","has coordinates","202647","2020-10-21","18:00:00",""
"4514206","38.935","0.009","8.5678","0.0006","28.446","0.007","90","","133.9","0.04","90","","6837","5","100","2","100","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C20.25 H24.25 Cl0.5 O2 -","- C20.25 H24.25 Cl0.5 O2 -","- C324 H388 Cl8 O32 -","16","2","","Larionov, Evgeny; Mastandrea, Marco M.; Pericàs, Miquel A.","Asymmetric Visible-Light Photoredox Cross-Dehydrogenative Coupling of Aldehydes with Xanthenes","ACS Catalysis","2017","7","10","7008","","10.1021/acscatal.7b02659","","","0.7107","MoKα","","0.1815","0.0915","","","0.2373","0.2838","","","","","","1.054","","","","has coordinates","202647","2020-10-21","18:00:00",""
"4514207","15.8414","0.0002","14.5592","0.0002","24.0253","0.0004","90","","90","","90","","5541.15","0.14","173","","173","","","","","","","","","7","P b c a","-P 2ac 2ab","61","","","","- C21 H26 F6 Ir N3 O8 S2 -","- C21 H26 F6 Ir N3 O8 S2 -","- C168 H208 F48 Ir8 N24 O64 S16 -","8","1","","Fujita, Ken-ichi; Tamura, Ryuichi; Tanaka, Yuhi; Yoshida, Masato; Onoda, Mitsuki; Yamaguchi, Ryohei","Dehydrogenative Oxidation of Alcohols in Aqueous Media Catalyzed by a Water-Soluble Dicationic Iridium Complex Bearing a Functional N-Heterocyclic Carbene Ligand without Using Base","ACS Catalysis","2017","7","10","7226","","10.1021/acscatal.7b02560","","","0.71075","MoKα","","","0.0287","","","","0.0528","","","","","","1.069","","","","has coordinates","202646","2020-10-21","18:00:00",""
"4514208","9.5878","0.0015","10.2028","0.0016","11.8401","0.0018","83.082","0.003","88.989","0.003","83.868","0.003","1143.2","0.3","173","","173","","","","","","","","","7","P -1","-P 1","2","","","","- C20 H25 F3 Ir N3 O5 S -","- C20 H25 F3 Ir N3 O5 S -","- C40 H50 F6 Ir2 N6 O10 S2 -","2","1","","Fujita, Ken-ichi; Tamura, Ryuichi; Tanaka, Yuhi; Yoshida, Masato; Onoda, Mitsuki; Yamaguchi, Ryohei","Dehydrogenative Oxidation of Alcohols in Aqueous Media Catalyzed by a Water-Soluble Dicationic Iridium Complex Bearing a Functional N-Heterocyclic Carbene Ligand without Using Base","ACS Catalysis","2017","7","10","7226","","10.1021/acscatal.7b02560","","","0.71075","MoKα","","","0.0332","","","","0.0447","","","","","","1.013","","","","has coordinates","202646","2020-10-21","18:00:00",""
"4514209","11.9189","0.0008","11.9269","0.0008","13.6776","0.0009","89.671","0.005","67.67","0.006","63.388","0.007","1575.9","0.2","293","2","293","2","","","","","","","","4","P -1","-P 1","2","","","","- C35 H32 Cl2 N6 -","- C35 H32 Cl2 N6 -","- C70 H64 Cl4 N12 -","2","1","","Zhou, Xukai; Luo, Yixin; Kong, Lingheng; Xu, Youwei; Zheng, Guangfan; Lan, Yu; Li, Xingwei","Cp*CoIII-Catalyzed Branch-Selective Hydroarylation of Alkynes via C‒H Activation: Efficient Access to α-gem-Vinylindoles","ACS Catalysis","2017","7","10","7296","","10.1021/acscatal.7b02248","","","0.71073","MoKα","","0.0865","0.0585","","","0.1614","0.1908","","","","","","0.929","","","","has coordinates","202649","2020-10-21","18:00:00",""
"4514210","23.874","0.018","23.874","","15.894","0.012","90","","90","","90","","9059","10","110","2","110","2","","","","","","","","4","P 42/m m c","-P 4c 2","131","","","","- C68 H48 O34 Zr6 -","- C68 H48 O34 Zr6 -","- C136 H96 O68 Zr12 -","2","0.125","","Qin, Jun-Sheng; Yuan, Shuai; Alsalme, Ali; Zhou, Hong-Cai","Flexible Zirconium MOF as the Crystalline Sponge for Coordinative Alignment of Dicarboxylates.","ACS applied materials & interfaces","2017","9","39","33408","33412","10.1021/acsami.6b16264","","","0.71073","MoKα","","0.1473","0.0704","","","0.1614","0.1768","","","","","","0.978","","","","has coordinates","202640","2020-10-21","18:00:00",""
"4514211","23.637","0.005","23.637","","16.995","0.004","90","","90","","90","","9495","3","110","2","110","2","","","","","","","","4","P 42/m m c","-P 4c 2","131","","","","- C160 H104 O80 Zr12 -","- C160 H104 O80 Zr12 -","- C160 H104 O80 Zr12 -","1","0.0625","","Qin, Jun-Sheng; Yuan, Shuai; Alsalme, Ali; Zhou, Hong-Cai","Flexible Zirconium MOF as the Crystalline Sponge for Coordinative Alignment of Dicarboxylates.","ACS applied materials & interfaces","2017","9","39","33408","33412","10.1021/acsami.6b16264","","","0.71073","MoKα","","0.1291","0.0931","","","0.2516","0.2691","","","","","","1.019","","","","has coordinates","202640","2020-10-21","18:00:00",""
"4514212","34.3258","0.0008","34.3258","0.0008","14.7063","0.0007","90","","90","","90","","17327.9","1","110","2","110","2","","","","","","","","4","P 42/n c m :2","-P 4ac 2ac","138","","","","- C70 H52 O32 Zr6 -","- C70 H52 O32 Zr6 -","- C280 H208 O128 Zr24 -","4","0.25","","Qin, Jun-Sheng; Yuan, Shuai; Alsalme, Ali; Zhou, Hong-Cai","Flexible Zirconium MOF as the Crystalline Sponge for Coordinative Alignment of Dicarboxylates.","ACS applied materials & interfaces","2017","9","39","33408","33412","10.1021/acsami.6b16264","","","1.54178","CuKα","","0.1091","0.0825","","","0.1911","0.2011","","","","","","1.066","","","","has coordinates","202640","2020-10-21","18:00:00",""
"4514213","23.6077","0.0004","23.608","","17.1351","0.0003","90","","90","","90","","9549.9","0.2","100","2","100","2","","","","","","","","4","P 42/m m c","-P 4c 2","131","","","","- C92 H48 O38 Zr6 -","- C92 H48 O38 Zr6 -","- C184 H96 O76 Zr12 -","2","0.125","","Qin, Jun-Sheng; Yuan, Shuai; Alsalme, Ali; Zhou, Hong-Cai","Flexible Zirconium MOF as the Crystalline Sponge for Coordinative Alignment of Dicarboxylates.","ACS applied materials & interfaces","2017","9","39","33408","33412","10.1021/acsami.6b16264","","","1.54184","CuKα","","0.1308","0.1048","","","0.2493","0.2676","","","","","","1.178","","","","has coordinates","202640","2020-10-21","18:00:00",""
"4514214","34.15","0.03","34.153","","14.656","0.011","90","","90","","90","","17094","2","110","2","110","2","","","","","","","","5","P 42/n c m","-P 4ac 2ac","138","","","","- C78 H56 N2 O34 Zr6 -","- C78 H56 N2 O34 Zr6 -","- C312 H224 N8 O136 Zr24 -","4","","","Qin, Jun-Sheng; Yuan, Shuai; Alsalme, Ali; Zhou, Hong-Cai","Flexible Zirconium MOF as the Crystalline Sponge for Coordinative Alignment of Dicarboxylates.","ACS applied materials & interfaces","2017","9","39","33408","33412","10.1021/acsami.6b16264","","","0.71073","MoKα","","0.1771","0.0843","","","0.2187","0.2455","","","","","","0.959","","","","has coordinates","202640","2020-10-21","18:00:00",""
"4514215","23.797","0.01","23.797","","16.355","0.008","90","","90","","90","","9262","6","110","2","110","2","","","","","","","","4","P 42/m m c","-P 4c 2","131","","","","- C72 H48 O36 Zr6 -","- C72 H48 O36 Zr6 -","- C144 H96 O72 Zr12 -","2","0.125","","Qin, Jun-Sheng; Yuan, Shuai; Alsalme, Ali; Zhou, Hong-Cai","Flexible Zirconium MOF as the Crystalline Sponge for Coordinative Alignment of Dicarboxylates.","ACS applied materials & interfaces","2017","9","39","33408","33412","10.1021/acsami.6b16264","","","0.71073","MoKα","","0.1311","0.0794","","","0.1957","0.2184","","","","","","0.967","","","","has coordinates","202640","2020-10-21","18:00:00",""
"4514216","10.3642","0.00016","10.71104","0.00015","30.9626","0.0004","90","","90","","90","","3437.2","0.08","100.01","0.1","100.01","0.1","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C42 H43 O P Si -","- C42 H43 O P Si -","- C168 H172 O4 P4 Si4 -","4","1","","Grosheva, Daria; Cramer, Nicolai","Ketene Aminal Phosphates: Competent Substrates for Enantioselective Pd(0)-Catalyzed C‒H Functionalizations","ACS Catalysis","2017","7","11","7417","","10.1021/acscatal.7b02783","","x-ray","1.54184","CuKα","","0.0255","0.0242","","","0.0605","0.0614","","","","","","1.039","","","","has coordinates","202650","2020-10-21","18:00:00",""
"4514217","4.7873","0.0001","12.3631","0.0002","25.26","0.0004","90","","90","","90","","1495.04","0.05","100.01","0.1","100.01","0.1","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C18 H13 Cl2 N O -","- C18 H13 Cl2 N O -","- C72 H52 Cl8 N4 O4 -","4","1","","Grosheva, Daria; Cramer, Nicolai","Ketene Aminal Phosphates: Competent Substrates for Enantioselective Pd(0)-Catalyzed C‒H Functionalizations","ACS Catalysis","2017","7","11","7417","","10.1021/acscatal.7b02783","","x-ray","1.54184","CuKα","","0.0335","0.0328","","","0.0848","0.0853","","","","","","1.095","","","","has coordinates,has disorder","202650","2020-10-21","18:00:00",""
"4514218","7.1369","0.0003","13.1737","0.0007","35.7724","0.0017","90","","90","","90","","3363.3","0.3","153","","153","","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C20 H6 F8 S2 -","- C20 H6 F8 S2 -","- C160 H48 F64 S16 -","8","1","","Wang, Junya; Meng, Ge; Xie, Kun; Li, Liting; Sun, Huaming; Huang, Zhiyan","Mild and Efficient Ni-Catalyzed Biaryl Synthesis with Polyfluoroaryl Magnesium Species: Verification of the Arrest State, Uncovering the Hidden Competitive Second Transmetalation and Ligand-Accelerated Highly Selective Monoarylation","ACS Catalysis","2017","7","11","7421","","10.1021/acscatal.7b02618","","","0.71073","MoKα","","0.0567","0.0419","","","0.0851","0.0898","","","","","","1.143","","","","has coordinates","202658","2020-10-21","18:00:00",""
"4514219","8.8663","0.0006","12.7576","0.0008","9.7375","0.0006","90","","112.848","0.002","90","","1015.01","0.11","153","","153","","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C18 H25 Cl F4 Mg O3 -","- C18 H25 Cl F4 Mg O3 -","- C36 H50 Cl2 F8 Mg2 O6 -","2","1","","Wang, Junya; Meng, Ge; Xie, Kun; Li, Liting; Sun, Huaming; Huang, Zhiyan","Mild and Efficient Ni-Catalyzed Biaryl Synthesis with Polyfluoroaryl Magnesium Species: Verification of the Arrest State, Uncovering the Hidden Competitive Second Transmetalation and Ligand-Accelerated Highly Selective Monoarylation","ACS Catalysis","2017","7","11","7421","","10.1021/acscatal.7b02618","","","0.71073","MoKα","","0.0443","0.0403","","","0.1059","0.1097","","","","","","1.05","","","","has coordinates","202658","2020-10-21","18:00:00",""
"4514220","39.6323","0.0016","11.1626","0.0004","19.9766","0.0008","90","","90","","90","","8837.6","0.6","273","","273.15","","","","","","","","","6","P b c n","-P 2n 2ab","60","","","","- C48 H30 F8 Ni O P2 -","- C48 H30 F8 Ni O P2 -","- C384 H240 F64 Ni8 O8 P16 -","8","1","","Wang, Junya; Meng, Ge; Xie, Kun; Li, Liting; Sun, Huaming; Huang, Zhiyan","Mild and Efficient Ni-Catalyzed Biaryl Synthesis with Polyfluoroaryl Magnesium Species: Verification of the Arrest State, Uncovering the Hidden Competitive Second Transmetalation and Ligand-Accelerated Highly Selective Monoarylation","ACS Catalysis","2017","7","11","7421","","10.1021/acscatal.7b02618","","","1.54178","CuKα","","0.048","0.0436","","","0.1305","0.1356","","","","","","1.023","","","","has coordinates","202658","2020-10-21","18:00:00",""
"4514221","7.7206","0.0003","10.8574","0.0004","19.0756","0.0007","90","","90.148","0.001","90","","1599.02","0.1","153","","153","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C17 H10 F4 O2 S2 -","- C17 H10 F4 O2 S2 -","- C68 H40 F16 O8 S8 -","4","1","","Wang, Junya; Meng, Ge; Xie, Kun; Li, Liting; Sun, Huaming; Huang, Zhiyan","Mild and Efficient Ni-Catalyzed Biaryl Synthesis with Polyfluoroaryl Magnesium Species: Verification of the Arrest State, Uncovering the Hidden Competitive Second Transmetalation and Ligand-Accelerated Highly Selective Monoarylation","ACS Catalysis","2017","7","11","7421","","10.1021/acscatal.7b02618","","","0.71073","MoKα","","0.0304","0.0276","","","0.0729","0.0747","","","","","","1.074","","","","has coordinates","202658","2020-10-21","18:00:00",""
"4514222","5.7087","0.0015","16.28","0.004","17.073","0.005","90","","90","","90","","1586.7","0.7","293","2","293","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C36 H32 N8 O4 -","- C36 H32 N8 O4 -","- C72 H64 N16 O8 -","2","0.5","","Liao, Yun; Lu, Qianqian; Chen, Gui; Yu, Yinghua; Li, Chunsen; Huang, Xueliang","Rhodium-Catalyzed Azide‒Alkyne Cycloaddition of Internal Ynamides: Regioselective Assembly of 5-Amino-Triazoles under Mild Conditions","ACS Catalysis","2017","7","11","7529","","10.1021/acscatal.7b02558","","","0.71073","MoKα","","0.0388","0.0337","","","0.0833","0.0864","","","","","","1.009","","","","has coordinates","202653","2020-10-21","18:00:00",""
"4514223","11.611","0.002","19.247","0.004","8.0285","0.0016","90","","107.27","0.03","90","","1713.3","0.6","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C17 H18 N4 O2 S -","- C17 H18 N4 O2 S -","- C68 H72 N16 O8 S4 -","4","1","","Liao, Yun; Lu, Qianqian; Chen, Gui; Yu, Yinghua; Li, Chunsen; Huang, Xueliang","Rhodium-Catalyzed Azide‒Alkyne Cycloaddition of Internal Ynamides: Regioselective Assembly of 5-Amino-Triazoles under Mild Conditions","ACS Catalysis","2017","7","11","7529","","10.1021/acscatal.7b02558","","","0.71073","MoKα","","0.0469","0.0415","","","0.1115","0.1155","","","","","","1.045","","","","has coordinates","255805","2020-10-21","18:00:00",""
"4514224","5.9454","0.0003","23.5638","0.001","6.5353","0.0003","90","","104.593","0.004","90","","886.03","0.07","291","2","291","2","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","","","- C10 H16 O2 -","- C10 H16 O2 -","- C40 H64 O8 -","4","1","","Zhu, Rui; Jiang, Ju-Long; Li, Xing-Long; Deng, Jin; Fu, Yao","A Comprehensive Study on Metal Triflate-Promoted Hydrogenolysis of Lactones to Carboxylic Acids: From Synthetic and Mechanistic Perspectives","ACS Catalysis","2017","7","11","7520","","10.1021/acscatal.7b01569","","","1.54184","CuKα","","0.0689","0.0644","","","0.1686","0.1724","","","","","","1.084","","","","has coordinates","202655","2020-10-21","18:00:00",""
"4514225","6.0866","0.0008","21.259","0.004","7.3676","0.001","90","","106.814","0.014","90","","912.6","0.3","290","2","290","2","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","","","- C10 H16 O2 -","- C10 H16 O2 -","- C40 H64 O8 -","4","1","","Zhu, Rui; Jiang, Ju-Long; Li, Xing-Long; Deng, Jin; Fu, Yao","A Comprehensive Study on Metal Triflate-Promoted Hydrogenolysis of Lactones to Carboxylic Acids: From Synthetic and Mechanistic Perspectives","ACS Catalysis","2017","7","11","7520","","10.1021/acscatal.7b01569","","","1.54184","CuKα","","0.0727","0.0607","","","0.1637","0.1736","","","","","","1.076","","","","has coordinates","202655","2020-10-21","18:00:00",""
"4514226","27.734","0.002","9.9782","0.0005","18.5024","0.0011","90","","111.932","0.005","90","","4749.7","0.5","293","2","293","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C49 H59 Cl3 Fe2 N2 Pd -","- C49 H59 Cl Fe2 N2 Pd -","- C196 H236 Cl4 Fe8 N8 Pd4 -","4","0.5","","Zhao, Minhui; Chen, Changle","Accessing Multiple Catalytically Active States in Redox-Controlled Olefin Polymerization","ACS Catalysis","2017","7","11","7490","","10.1021/acscatal.7b02564","","","1.54184","CuKα","","0.0619","0.0454","","","0.1162","0.1375","","","","","","1.065","","","","has coordinates,has disorder","202657","2020-10-21","18:00:00",""
"4514227","10.579","0.002","11.195","0.002","11.534","0.002","86.716","0.003","76.764","0.003","88.392","0.003","1327.4","0.4","293","2","293","2","","","","","","","","4","P -1","-P 1","2","","N-(tert-butyl)-2-(7-methoxy-1-oxo-9-phenyl-1,3-dihydro-2H-pyrrolo[3,4-b]quinolin-2-yl)-2-(4-methoxyphenyl)acetamide","","- C31 H31 N3 O4 -","- C31 H31 N3 O4 -","- C62 H62 N6 O8 -","2","1","","Ghoshal, Anirban; Yugandhar, Doddapaneni; Nanubolu, Jagadeesh Babu; Srivastava, Ajay Kumar","An Efficient One-Pot Synthesis of Densely Functionalized Fused-Quinolines via Sequential Ugi4CC and Acid-Mediated Povarov-Type Reaction.","ACS combinatorial science","2017","19","9","600","608","10.1021/acscombsci.7b00095","","","0.71073","MoKα","","0.0515","0.0418","","","0.1087","0.1162","","","","","","1.017","","","","has coordinates","201595","2020-10-21","18:00:00",""
"4514228","6.0134","0.0004","7.8064","0.0004","35.177","0.003","92.753","0.004","93.386","0.006","90.013","0.006","1646.5","0.2","273","2","273.15","","","","","","","","","3","P -1","-P 1","2","","","","- C20 H14 S3 -","- C20 H14 S3 -","- C80 H56 S12 -","4","2","","He, Keqiang; Li, Weili; Tian, Hongkun; Zhang, Jidong; Yan, Donghang; Geng, Yanhou; Wang, Fosong","Asymmetric Conjugated Molecules Based on [1]Benzothieno[3,2-b][1]benzothiophene for High-Mobility Organic Thin-Film Transistors: Influence of Alkyl Chain Length.","ACS applied materials & interfaces","2017","9","40","35427","35436","10.1021/acsami.7b10675","","","1.54178","CuKα","","0.2364","0.1464","","","0.3724","0.4498","","","","","","1.323","","","","has coordinates","202641","2020-10-21","18:00:00",""
"4514229","5.9301","0.0003","7.8096","0.0003","46.53","0.002","87.064","0.002","88.436","0.002","89.964","0.002","2151.25","0.17","293","2","293","2","","","","","","","","3","P -1","-P 1","2","","","","- C25 H24 S3 -","- C25 H24 S3 -","- C100 H96 S12 -","4","2","","He, Keqiang; Li, Weili; Tian, Hongkun; Zhang, Jidong; Yan, Donghang; Geng, Yanhou; Wang, Fosong","Asymmetric Conjugated Molecules Based on [1]Benzothieno[3,2-b][1]benzothiophene for High-Mobility Organic Thin-Film Transistors: Influence of Alkyl Chain Length.","ACS applied materials & interfaces","2017","9","40","35427","35436","10.1021/acsami.7b10675","","","1.54178","CuKα","","0.1081","0.0824","","","0.2114","0.2241","","","","","","1.069","","","","has coordinates,has disorder","202641","2020-10-21","18:00:00",""
"4514230","5.9656","0.0002","7.8049","0.0002","39.9337","0.0013","91.6519","0.0012","90.1201","0.0012","90.0104","0.0011","1858.57","0.1","293","2","293","2","","","","","","","","3","P -1","-P 1","2","","","","- C22 H18 S3 -","- C22 H18 S3 -","- C88 H72 S12 -","4","2","","He, Keqiang; Li, Weili; Tian, Hongkun; Zhang, Jidong; Yan, Donghang; Geng, Yanhou; Wang, Fosong","Asymmetric Conjugated Molecules Based on [1]Benzothieno[3,2-b][1]benzothiophene for High-Mobility Organic Thin-Film Transistors: Influence of Alkyl Chain Length.","ACS applied materials & interfaces","2017","9","40","35427","35436","10.1021/acsami.7b10675","","","1.54178","CuKα","","0.0611","0.0573","","","0.1819","0.1862","","","","","","1.052","","","","has coordinates,has disorder","202641","2020-10-21","18:00:00",""
"4514231","6.6244","0.0003","9.5477","0.0005","11.0255","0.0005","69.728","0.001","77.396","0.001","74.138","0.001","623.31","0.05","296","2","296","2","","","","","","","","5","P -1","-P 1","2","","","","- C13 H11 Br O2 S -","- C13 H11 Br O2 S -","- C26 H22 Br2 O4 S2 -","2","1","","Li, Yiming; Wang, Ming; Jiang, Xuefeng","Controllable Sulfoxidation and Sulfenylation with Organic Thiosulfate Salts via Dual Electron- and Energy-Transfer Photocatalysis","ACS Catalysis","2017","7","11","7587","","10.1021/acscatal.7b02735","","","0.71073","MoKα","","0.0375","0.0321","","","0.0855","0.0893","","","","","","1.052","","","","has coordinates","202654","2020-10-21","18:00:00",""
"4514232","6.2606","0.0006","7.9157","0.0007","45.636","0.005","90","","90","","90","","2261.6","0.4","173","","173","","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C26 H26 O6 S -","- C26 H26 O6 S -","- C104 H104 O24 S4 -","4","1","","Wu, Zijun; Wang, Jian","Enantioselective Medium-Ring Lactone Synthesis through an NHC-Catalyzed Intramolecular Desymmetrization of Prochiral 1,3-Diols","ACS Catalysis","2017","7","11","7647","","10.1021/acscatal.7b02302","","","0.71073","MoKα","","0.0681","0.0606","","","0.1084","0.1123","","","","","","1.15","","","","has coordinates","202656","2020-10-21","18:00:00",""
"4514233","15.7631","0.0003","9.2957","0.0002","35.3175","0.0008","90","","95.742","0.002","90","","5149.07","0.19","100.01","0.1","100.01","0.1","","","","","","","","6","I 1 2/c 1","-I 2yc","15","","","","- C30 H32 Fe N P S -","- C30 H32 Fe N P S -","- C240 H256 Fe8 N8 P8 S8 -","8","1","","Song, Heng; Ye, Ke; Geng, Peiyu; Han, Xiao; Liao, Rongzhen; Tung, Chen-Ho; Wang, Wenguang","Activation of Epoxides by a Cooperative Iron‒Thiolate Catalyst: Intermediacy of Ferrous Alkoxides in Catalytic Hydroboration","ACS Catalysis","2017","7","11","7709","","10.1021/acscatal.7b02527","","x-ray","1.54184","CuKα","","0.0315","0.029","","","0.0745","0.0763","","","","","","1.054","","","","has coordinates","202659","2020-10-21","18:00:00",""
"4514234","18.433","0.006","8.274","0.003","18.909","0.007","90","","117.569","0.003","90","","2556.4","1.6","173","2","173.15","","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C28 H32 B Fe P S -","- C28 H32 B Fe P S -","- C112 H128 B4 Fe4 P4 S4 -","4","1","","Song, Heng; Ye, Ke; Geng, Peiyu; Han, Xiao; Liao, Rongzhen; Tung, Chen-Ho; Wang, Wenguang","Activation of Epoxides by a Cooperative Iron‒Thiolate Catalyst: Intermediacy of Ferrous Alkoxides in Catalytic Hydroboration","ACS Catalysis","2017","7","11","7709","","10.1021/acscatal.7b02527","","","0.71073","MoKα","","0.0518","0.037","","","0.0837","0.0918","","","","","","1.026","","","","has coordinates","202659","2020-10-21","18:00:00",""
"4514235","12.13","0.009","11.24","0.009","23.29","0.018","90","","96.035","0.013","90","","3158","4","173","2","173","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C36 H44 B Fe P S -","- C36 H44 B Fe P S -","- C144 H176 B4 Fe4 P4 S4 -","4","1","","Song, Heng; Ye, Ke; Geng, Peiyu; Han, Xiao; Liao, Rongzhen; Tung, Chen-Ho; Wang, Wenguang","Activation of Epoxides by a Cooperative Iron‒Thiolate Catalyst: Intermediacy of Ferrous Alkoxides in Catalytic Hydroboration","ACS Catalysis","2017","7","11","7709","","10.1021/acscatal.7b02527","","","0.71073","MoKα","","0.1512","0.0592","","","0.109","0.1374","","","","","","0.949","","","","has coordinates,has disorder","202659","2020-10-21","18:00:00",""
"4514236","17.451","0.004","19.304","0.005","20.241","0.005","90","","90","","90","","6819","3","173","2","173.15","","","","","","","","","6","P b c a","-P 2ac 2ab","61","","","","- C42 H41 Fe O P S -","- C42 H41 Fe O P S -","- C336 H328 Fe8 O8 P8 S8 -","8","1","","Song, Heng; Ye, Ke; Geng, Peiyu; Han, Xiao; Liao, Rongzhen; Tung, Chen-Ho; Wang, Wenguang","Activation of Epoxides by a Cooperative Iron‒Thiolate Catalyst: Intermediacy of Ferrous Alkoxides in Catalytic Hydroboration","ACS Catalysis","2017","7","11","7709","","10.1021/acscatal.7b02527","","","0.71","MoKα","","0.0804","0.0458","","","0.1226","0.1491","","","","","","0.94","","","","has coordinates","202659","2020-10-21","18:00:00",""
"4514237","10.13","0.002","14.433","0.003","16.554","0.004","90","","90","","90","","2420.3","0.9","173","2","173.15","","","","","","","","","6","P c 21 n","P -2n -2ac","33","","","","- C28 H29 Cl Fe P S -","- C28 H29 Cl Fe P S -","- C112 H116 Cl4 Fe4 P4 S4 -","4","1","","Song, Heng; Ye, Ke; Geng, Peiyu; Han, Xiao; Liao, Rongzhen; Tung, Chen-Ho; Wang, Wenguang","Activation of Epoxides by a Cooperative Iron‒Thiolate Catalyst: Intermediacy of Ferrous Alkoxides in Catalytic Hydroboration","ACS Catalysis","2017","7","11","7709","","10.1021/acscatal.7b02527","","","0.71","MoKα","","0.0314","0.0289","","","0.0722","0.0742","","","","","","1.04","","","","has coordinates","202659","2020-10-21","18:00:00",""
"4514238","10.1455","0.0006","14.4475","0.0009","16.7227","0.0012","90","","90","","90","","2451.2","0.3","173","2","173.15","","","","","","","","","6","P c 21 n","P -2n -2ac","33","","","","- C29 H29 Fe O P S -","- C29 H29 Fe O P S -","- C116 H116 Fe4 O4 P4 S4 -","4","1","","Song, Heng; Ye, Ke; Geng, Peiyu; Han, Xiao; Liao, Rongzhen; Tung, Chen-Ho; Wang, Wenguang","Activation of Epoxides by a Cooperative Iron‒Thiolate Catalyst: Intermediacy of Ferrous Alkoxides in Catalytic Hydroboration","ACS Catalysis","2017","7","11","7709","","10.1021/acscatal.7b02527","","","0.71","MoKα","","0.0478","0.0347","","","0.0643","0.0682","","","","","","1.025","","","","has coordinates","202659","2020-10-21","18:00:00",""
"4514239","6.468","0.002","24.149","0.009","12.121","0.004","90","","101.11","0.016","90","","1857.8","1.1","173","2","173.15","","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C20 H25 B O3 -","- C20 H25 B O3 -","- C80 H100 B4 O12 -","4","2","","Song, Heng; Ye, Ke; Geng, Peiyu; Han, Xiao; Liao, Rongzhen; Tung, Chen-Ho; Wang, Wenguang","Activation of Epoxides by a Cooperative Iron‒Thiolate Catalyst: Intermediacy of Ferrous Alkoxides in Catalytic Hydroboration","ACS Catalysis","2017","7","11","7709","","10.1021/acscatal.7b02527","","","0.71","MoKα","","0.116","0.0839","","","0.1856","0.2079","","","","","","0.958","","","","has coordinates","202659","2020-10-21","18:00:00",""
"4514240","17.9328","0.0003","6.97043","0.00015","20.1733","0.0003","90","","95.8396","0.0016","90","","2508.56","0.08","100","","100","","","","","","","","","6","C 1 2 1","C 2y","5","","","","- C11 H10 Br2 F N S -","- C11 H10 Br2 F N S -","- C88 H80 Br16 F8 N8 S8 -","8","2","","Sonawane, Yogesh A.; Zhu, Yingmin; Garrison, Jered C.; Ezell, Edward L.; Zahid, Muhammad; Cheng, Xiaodong; Natarajan, Amarnath","Structure‒Activity Relationship Studies with Tetrahydroquinoline Analogs as EPAC Inhibitors","ACS Medicinal Chemistry Letters","2017","8","11","1183","","10.1021/acsmedchemlett.7b00358","","x-ray","1.54184","CuKα","","0.061","0.0575","","","0.1562","0.1617","","","","","","1.061","","","","has coordinates","203981","2020-10-21","18:00:00",""
"4514241","9.35893","0.00017","14.2993","0.0003","17.3085","0.0004","90","","90","","90","","2316.33","0.08","100","","100","","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C11 H10 Br2 F N O -","- C11 H10 Br2 F N O -","- C88 H80 Br16 F8 N8 O8 -","8","2","","Sonawane, Yogesh A.; Zhu, Yingmin; Garrison, Jered C.; Ezell, Edward L.; Zahid, Muhammad; Cheng, Xiaodong; Natarajan, Amarnath","Structure‒Activity Relationship Studies with Tetrahydroquinoline Analogs as EPAC Inhibitors","ACS Medicinal Chemistry Letters","2017","8","11","1183","","10.1021/acsmedchemlett.7b00358","","x-ray","1.54184","CuKα","","0.0531","0.05","","","0.1229","0.1244","","","","","","1.086","","","","has coordinates","203981","2020-10-21","18:00:00",""
"4514242","17.9398","0.0002","6.9704","0.00007","20.1721","0.0002","90","","95.826","0.0011","90","","2509.44","0.05","100","","100","","","","","","","","","6","C 1 2 1","C 2y","5","","","","- C11 H10 Br2 F N S -","- C11 H10 Br2 F N S -","- C88 H80 Br16 F8 N8 S8 -","8","2","","Sonawane, Yogesh A.; Zhu, Yingmin; Garrison, Jered C.; Ezell, Edward L.; Zahid, Muhammad; Cheng, Xiaodong; Natarajan, Amarnath","Structure‒Activity Relationship Studies with Tetrahydroquinoline Analogs as EPAC Inhibitors","ACS Medicinal Chemistry Letters","2017","8","11","1183","","10.1021/acsmedchemlett.7b00358","","x-ray","1.54184","CuKα","","0.0372","0.035","","","0.0911","0.1016","","","","","","1.112","","","","has coordinates","203981","2020-10-21","18:00:00",""
"4514243","8.38414","0.00003","9.70644","0.00005","25.42071","0.0001","90","","90","","90","","2068.74","0.015","100","","100","","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C22 H25 F N2 O3 S -","- C22 H25 F N2 O3 S -","- C88 H100 F4 N8 O12 S4 -","4","1","","Sonawane, Yogesh A.; Zhu, Yingmin; Garrison, Jered C.; Ezell, Edward L.; Zahid, Muhammad; Cheng, Xiaodong; Natarajan, Amarnath","Structure‒Activity Relationship Studies with Tetrahydroquinoline Analogs as EPAC Inhibitors","ACS Medicinal Chemistry Letters","2017","8","11","1183","","10.1021/acsmedchemlett.7b00358","","x-ray","1.54184","CuKα","","0.0309","0.0306","","","0.0792","0.0794","","","","","","1.061","","","","has coordinates","203981","2020-10-21","18:00:00",""
"4514244","8.2516","0.00004","14.05983","0.00009","17.50889","0.0001","90","","90","","90","","2031.31","0.02","100","","100","","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C22 H25 F N2 O3 S -","- C22 H25 F N2 O3 S -","- C88 H100 F4 N8 O12 S4 -","4","1","","Sonawane, Yogesh A.; Zhu, Yingmin; Garrison, Jered C.; Ezell, Edward L.; Zahid, Muhammad; Cheng, Xiaodong; Natarajan, Amarnath","Structure‒Activity Relationship Studies with Tetrahydroquinoline Analogs as EPAC Inhibitors","ACS Medicinal Chemistry Letters","2017","8","11","1183","","10.1021/acsmedchemlett.7b00358","","x-ray","1.54184","CuKα","","0.0308","0.0299","","","0.0772","0.0781","","","","","","1.059","","","","has coordinates","203981","2020-10-21","18:00:00",""
"4514245","9.36317","0.00008","14.3078","0.00011","17.31825","0.00012","90","","90","","90","","2320.06","0.03","100","","100","","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C11 H10 Br2 F N O -","- C11 H10 Br2 F N O -","- C88 H80 Br16 F8 N8 O8 -","8","2","","Sonawane, Yogesh A.; Zhu, Yingmin; Garrison, Jered C.; Ezell, Edward L.; Zahid, Muhammad; Cheng, Xiaodong; Natarajan, Amarnath","Structure‒Activity Relationship Studies with Tetrahydroquinoline Analogs as EPAC Inhibitors","ACS Medicinal Chemistry Letters","2017","8","11","1183","","10.1021/acsmedchemlett.7b00358","","x-ray","1.54184","CuKα","","0.033","0.031","","","0.083","0.0851","","","","","","1.045","","","","has coordinates","203981","2020-10-21","18:00:00",""
"4514246","9.5092","0.0006","12.3167","0.0008","15.9826","0.0008","90","","90","","90","","1871.91","0.19","290.56","0.1","290.56","0.1","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C24 H18 O2 S -","- C24 H18 O2 S -","- C96 H72 O8 S4 -","4","1","","Lu, Hong; Zhang, Jia-Lu; Liu, Jin-Yu; Li, Hong-Yu; Xu, Peng-Fei","N-Heterocyclic Carbene-Catalyzed Atom-Economical and Enantioselective Construction of the C‒S Bond: Asymmetric Synthesis of Functionalized Thiochromans","ACS Catalysis","2017","7","11","7797","","10.1021/acscatal.7b02651","","","0.71073","MoKα","","0.0597","0.0484","","","0.096","0.1064","","","","","","1.047","","","","has coordinates","202652","2020-10-21","18:00:00",""
"4514247","9.3432","0.0005","12.1755","0.0006","14.6611","0.0008","90","","102.176","0.006","90","","1630.3","0.15","294.33","0.1","294.33","0.1","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C19 H19 N O3 -","- C19 H19 N O3 -","- C76 H76 N4 O12 -","4","1","","Peng, Xie-Xue; Wei, Dian; Han, Wen-Jun; Chen, Fei; Yu, Wei; Han, Bing","Dioxygen Activation via Cu-Catalyzed Cascade Radical Reaction: An Approach to Isoxazoline/Cyclic Nitrone-Featured α-Ketols","ACS Catalysis","2017","7","11","7830","","10.1021/acscatal.7b03078","","x-ray","0.71073","MoKα","","0.1061","0.0565","","","0.1158","0.146","","","","","","1.073","","","","has coordinates","202660","2020-10-21","18:00:00",""
"4514248","6.417","0.0004","7.0536","0.001","10.791","0.0007","90","","93.618","0.007","90","","487.46","0.08","294.59","0.1","294.59","0.1","","","","","","","","4","P 1 21/m 1","-P 2yb","11","","","","- C11 H11 N O2 -","- C11 H11 N O2 -","- C22 H22 N2 O4 -","2","0.5","","Peng, Xie-Xue; Wei, Dian; Han, Wen-Jun; Chen, Fei; Yu, Wei; Han, Bing","Dioxygen Activation via Cu-Catalyzed Cascade Radical Reaction: An Approach to Isoxazoline/Cyclic Nitrone-Featured α-Ketols","ACS Catalysis","2017","7","11","7830","","10.1021/acscatal.7b03078","","x-ray","0.71073","MoKα","","0.1061","0.0605","","","0.1303","0.1713","","","","","","1.106","","","","has coordinates","202660","2020-10-21","18:00:00",""
"4514249","10.8566","0.0008","10.8566","0.0008","11.4924","0.0008","90","","90","","120","","1173.08","0.15","273.77","0.1","273.77","0.1","","","","","","","","4","P 32","P 32","145","","","","- C18 H17 N O3 -","- C18 H17 N O3 -","- C54 H51 N3 O9 -","3","1","","Peng, Xie-Xue; Wei, Dian; Han, Wen-Jun; Chen, Fei; Yu, Wei; Han, Bing","Dioxygen Activation via Cu-Catalyzed Cascade Radical Reaction: An Approach to Isoxazoline/Cyclic Nitrone-Featured α-Ketols","ACS Catalysis","2017","7","11","7830","","10.1021/acscatal.7b03078","","x-ray","0.71073","MoKα","","0.0767","0.0538","","","0.1017","0.1193","","","","","","1.088","","","","has coordinates","202660","2020-10-21","18:00:00",""
"4514250","5.6577","0.0002","8.9036","0.0002","32.5408","0.0008","90","","90","","90","","1639.21","0.08","301","2","300.68","","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C20 H20 O4 -","- C20 H20 O4 -","- C80 H80 O16 -","4","1","","Su, Yong-Liang; Han, Zhi-Yong; Li, Yu-Hui; Gong, Liu-Zhu","Asymmetric Allylation of Furfural Derivatives: Synergistic Effect of Chiral Ligand and Organocatalyst on Stereochemical Control","ACS Catalysis","2017","7","11","7917","","10.1021/acscatal.7b02667","","","1.54178","CuKα","","0.0493","0.0461","","","0.1248","0.1292","","","","","","1.135","","","","has coordinates","202651","2020-10-21","18:00:00",""
"4514251","11.127","0.001","11.586","0.001","16.948","0.002","85.617","0.002","75.929","0.002","70.932","0.002","2003","0.3","173","1","173","1","","","","","","","","6","P -1","-P 1","2","","","","- C44 H37 Cl4 Ir O3 P2 -","- C44 H37 Cl4 Ir O3 P2 -","- C88 H74 Cl8 Ir2 O6 P4 -","2","1","","Cohen, Shirel; Borin, Veniamin; Schapiro, Igor; Musa, Sanaa; De-Botton, Sophie; Belkova, Natalia V.; Gelman, Dmitri","Ir(III)-PC(sp3)P Bifunctional Catalysts for Production of H2 by Dehydrogenation of Formic Acid: Experimental and Theoretical Study","ACS Catalysis","2017","7","12","8139","","10.1021/acscatal.7b02482","","","0.71073","MoKα","","0.0387","0.0362","","","0.082","0.0832","","","","","","1.095","","","","has coordinates","203980","2020-10-21","18:00:00",""
"4514252","13.554","0.002","25.997","0.004","13.478","0.002","90","","108.116","0.002","90","","4513.7","1.2","173","1","173","1","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C44 H32 Cl Ir N O7 P2 -","- C44 H32 Cl Ir N O7 P2 -","- C176 H128 Cl4 Ir4 N4 O28 P8 -","4","1","","Cohen, Shirel; Borin, Veniamin; Schapiro, Igor; Musa, Sanaa; De-Botton, Sophie; Belkova, Natalia V.; Gelman, Dmitri","Ir(III)-PC(sp3)P Bifunctional Catalysts for Production of H2 by Dehydrogenation of Formic Acid: Experimental and Theoretical Study","ACS Catalysis","2017","7","12","8139","","10.1021/acscatal.7b02482","","","0.71073","MoKα","","0.082","0.0787","","","0.1748","0.1765","","","","","","1.304","","","","has coordinates","203980","2020-10-21","18:00:00",""
"4514253","8.323","0.002","11.108","0.002","11.747","0.003","95.97","0.018","98.14","0.02","94.164","0.018","1065","0.4","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C24 H20 N4 O3 Pd -","- C24 H20 N4 O3 Pd -","- C48 H40 N8 O6 Pd2 -","2","1","","Deb, Arghya; Singh, Sukriti; Seth, Kapileswar; Pimparkar, Sandeep; Bhaskararao, Bangaru; Guin, Srimanta; Sunoj, Raghavan B.; Maiti, Debabrata","Experimental and Computational Studies on Remote γ-C(sp3)‒H Silylation and Germanylation of Aliphatic Carboxamides","ACS Catalysis","2017","7","12","8171","","10.1021/acscatal.7b03056","","x-ray","1.54184","CuKα","","0.2606","0.1739","","","0.3856","0.4866","","","","","","1.131","","","","has coordinates","255805","2020-10-21","18:00:00",""
"4514254","18.0594","0.0012","18.7382","0.001","19.9513","0.0013","90","","97.174","0.003","90","","6698.7","0.7","293","2","293","2","","","","","","","","9","P 1 21/n 1","-P 2yn","14","","","","- C32 H204 Cu6 N26 Na2 Ni7 O128 P6 W18 -","- C32 H114 Cu6 N26 Na2 Ni7 O98 P6 W18 -","- C64 H228 Cu12 N52 Na4 Ni14 O196 P12 W36 -","2","0.5","","Zhang, Shuangshuang; Oms, Olivier; Hao, Long; Liu, Rongji; Wang, Meng; Zhang, Yaqin; He, Hong-Yan; Dolbecq, Anne; Marrot, Jérôme; Keita, Bineta; Zhi, Linjie; Mialane, Pierre; Li, Bin; Zhang, Guangjin","High Oxygen Reduction Reaction Performances of Cathode Materials Combining Polyoxometalates, Coordination Complexes, and Carboneous Supports.","ACS applied materials & interfaces","2017","9","44","38486","38498","10.1021/acsami.7b10989","","","0.71073","MoKα","","0.0773","0.0561","","","0.1474","0.1607","","","","","","1.175","","","","has coordinates,has disorder","203974","2020-10-21","18:00:00",""
"4514255","10.558","0.002","11.152","0.002","11.868","0.002","89.94","0.03","86.75","0.03","72.15","0.03","1327.8","0.5","293","2","293","2","","","","","","","","4","P -1","-P 1","2","","","","- C31 H27 N3 O5 -","- C31 H27 N3 O5 -","- C62 H54 N6 O10 -","2","1","","Xi, Guan; Sheng, Lan; Zhang, Ivan; Du, Jiahui; Zhang, Ting; Chen, Qiaonan; Li, Guiying; Zhang, Ying; Song, Yue; Li, Jianhua; Zhang, Yu-Mo; Zhang, Sean Xiao-An","Endowing Hydrochromism to Fluorans via Bioinspired Alteration of Molecular Structures and Microenvironments and Expanding Their Potential for Rewritable Paper.","ACS applied materials & interfaces","2017","9","43","38032","38041","10.1021/acsami.7b12363","","","0.71073","MoKα","","0.0799","0.0568","","","0.1542","0.1674","","","","","","1.088","","","","has coordinates,has disorder","202547","2020-10-21","18:00:00",""
"4514256","9.4613","0.0009","10.6889","0.001","20.2009","0.0019","84.88","0.003","80.566","0.003","82.782","0.003","1994.4","0.3","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C44 H38 Cd N8 O9 -","- C44 H38 Cd N8 O9 -","- C88 H76 Cd2 N16 O18 -","2","1","","Maity, Kartik; Bhunia, Kousik; Pradhan, Debabrata; Biradha, Kumar","Co(II)-Doped Cd-MOF as an Efficient Water Oxidation Catalyst: Doubly Interpenetrated Boron Nitride Network with the Encapsulation of Free Ligand Containing Pyridine Moieties.","ACS applied materials & interfaces","2017","9","43","37548","37553","10.1021/acsami.7b12926","","","0.71073","MoKα","","0.058","0.0416","","","0.0693","0.0716","","","","","","1.401","","","","has coordinates","202548","2020-10-21","18:00:00",""
"4514257","24.4635","0.0015","24.4635","0.0015","112.996","0.008","90","","90","","120","","58564","7","100","2","100","2","","","","","","","","5","R -3 c :H","-R 3 2""c","167","","","","- C90 H42 N12 O32 Zn8 -","- C90 H42 N12 O32 Zn8 -","- C1080 H504 N144 O384 Zn96 -","12","0.333333","","Glomb, Sebastian; Woschko, Dennis; Makhloufi, Gamall; Janiak, Christoph","Metal-Organic Frameworks with Internal Urea-Functionalized Dicarboxylate Linkers for SO2 and NH3 Adsorption.","ACS applied materials & interfaces","2017","9","42","37419","37434","10.1021/acsami.7b10884","","","1.54178","CuKα","","0.1564","0.1107","","","0.3052","0.3443","","","","","","1.1","","","","has coordinates,has disorder","202549","2020-10-21","18:00:00",""
"4514258","15.1669","0.0013","15.1542","0.0013","32.47","0.003","90","","99.162","0.004","90","","7367.8","1.1","100","2","100","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C102 H123 N17 O29 Zn4 -","- C102 H123 N17 O29 Zn4 -","- C204 H246 N34 O58 Zn8 -","2","1","","Glomb, Sebastian; Woschko, Dennis; Makhloufi, Gamall; Janiak, Christoph","Metal-Organic Frameworks with Internal Urea-Functionalized Dicarboxylate Linkers for SO2 and NH3 Adsorption.","ACS applied materials & interfaces","2017","9","42","37419","37434","10.1021/acsami.7b10884","","","0.71073","MoKα","","0.0858","0.058","","","0.1264","0.1365","","","","","","1.027","","","","has coordinates","202550","2020-10-21","18:00:00",""
"4514259","24.2031","0.0012","18.0034","0.0009","13.998","0.0006","90","","100.52","0.002","90","","5996.9","0.5","150","2","150","2","","","","","","","","5","C 1 2/m 1","-C 2y","12","","","","- C20 H12 N3 O5 Zn -","- C20 H12 N3 O5 Zn -","- C160 H96 N24 O40 Zn8 -","8","1","","Glomb, Sebastian; Woschko, Dennis; Makhloufi, Gamall; Janiak, Christoph","Metal-Organic Frameworks with Internal Urea-Functionalized Dicarboxylate Linkers for SO2 and NH3 Adsorption.","ACS applied materials & interfaces","2017","9","42","37419","37434","10.1021/acsami.7b10884","","","0.71073","MoKα","","0.0777","0.051","","","0.1447","0.1594","","","","","","1.08","","","","has coordinates,has disorder","202551","2020-10-21","18:00:00",""
"4514260","15.173","0.004","15.232","0.004","16.006","0.004","77.869","0.012","80.918","0.013","84.57","0.011","3564","1.6","150","2","150","2","","","","","","","","5","P -1","-P 1","2","","","","- C42 H28 N6 O10 Zn2 -","- C42 H28 N6 O10 Zn2 -","- C84 H56 N12 O20 Zn4 -","2","1","","Glomb, Sebastian; Woschko, Dennis; Makhloufi, Gamall; Janiak, Christoph","Metal-Organic Frameworks with Internal Urea-Functionalized Dicarboxylate Linkers for SO2 and NH3 Adsorption.","ACS applied materials & interfaces","2017","9","42","37419","37434","10.1021/acsami.7b10884","","","0.71073","MoKα","","0.144","0.1069","","","0.2956","0.3297","","","","","","1.223","","","","has coordinates","202552","2020-10-21","18:00:00",""
"4514261","19.368","0.003","19.368","0.003","20.907","0.007","90","","90","","90","","7843","3","296","2","296","2","","","","","","","","5","I 41/a m d :2","-I 4bd 2","141","","","","- C32 H100 Co4 N16 O44 -","- C32 H44 Co4 N16 O24.4 -","- C128 H176 Co16 N64 O97.6 -","4","0.125","","Wang, Shuang; Belmabkhout, Youssef; Cairns, Amy J.; Li, Guanghua; Huo, Qisheng; Liu, Yunling; Eddaoudi, Mohamed","Tuning Gas Adsorption Properties of Zeolite-like Supramolecular Assemblies with gis Topology via Functionalization of Isoreticular Metal-Organic Squares.","ACS applied materials & interfaces","2017","9","39","33521","33527","10.1021/acsami.7b06010","","","0.71073","MoKα","","0.0889","0.0512","","","0.1531","0.1948","","","","","","1.071","","","","has coordinates","202553","2020-10-21","18:00:00",""
"4514262","18.631","0.003","18.631","0.003","21.582","0.004","90","","90","","90","","7491","2","293","2","293","2","","","","","","","","5","I 41/a m d :2","-I 4bd 2","141","","","","- C36 H102 Co4 N16 O41 -","- C36 H12 Co4 N16 O23.6 -","- C144 H48 Co16 N64 O94.4 -","4","0.125","","Wang, Shuang; Belmabkhout, Youssef; Cairns, Amy J.; Li, Guanghua; Huo, Qisheng; Liu, Yunling; Eddaoudi, Mohamed","Tuning Gas Adsorption Properties of Zeolite-like Supramolecular Assemblies with gis Topology via Functionalization of Isoreticular Metal-Organic Squares.","ACS applied materials & interfaces","2017","9","39","33521","33527","10.1021/acsami.7b06010","","","0.71073","MoKα","","0.1486","0.0638","","","0.1693","0.2512","","","","","","1.124","","","","has coordinates,has disorder","202554","2020-10-21","18:00:00",""
"4514263","19.802","0.003","19.802","0.003","20.696","0.004","90","","90","","90","","8115","2","293","2","293","2","","","","","","","","5","I 41/a m d :2","-I 4bd 2","141","","","","- C40 H106 Co4 N16 O39 -","- C40 Co4 N16 O21.88 -","- C160 Co16 N64 O87.52 -","4","0.125","","Wang, Shuang; Belmabkhout, Youssef; Cairns, Amy J.; Li, Guanghua; Huo, Qisheng; Liu, Yunling; Eddaoudi, Mohamed","Tuning Gas Adsorption Properties of Zeolite-like Supramolecular Assemblies with gis Topology via Functionalization of Isoreticular Metal-Organic Squares.","ACS applied materials & interfaces","2017","9","39","33521","33527","10.1021/acsami.7b06010","","","0.71073","MoKα","","0.0916","0.0579","","","0.1632","0.184","","","","","","1.037","","","","has coordinates,has disorder","202555","2020-10-21","18:00:00",""
"4514264","19.959","0.003","19.959","0.003","20.408","0.004","90","","90","","90","","8130","2","293","2","293","2","","","","","","","","5","I 41/a m d :2","-I 4bd 2","141","","","","- C36 H102 Co4 N16 O41 -","- C36 H44 Co4 N16 O24.34 -","- C144 H176 Co16 N64 O97.36 -","4","0.125","","Wang, Shuang; Belmabkhout, Youssef; Cairns, Amy J.; Li, Guanghua; Huo, Qisheng; Liu, Yunling; Eddaoudi, Mohamed","Tuning Gas Adsorption Properties of Zeolite-like Supramolecular Assemblies with gis Topology via Functionalization of Isoreticular Metal-Organic Squares.","ACS applied materials & interfaces","2017","9","39","33521","33527","10.1021/acsami.7b06010","","","0.71073","MoKα","","0.0885","0.0616","","","0.1706","0.1914","","","","","","1.022","","","","has coordinates","202556","2020-10-21","18:00:00",""
"4514265","26.2639","0.0005","33.4313","0.0006","18.7507","0.0003","90","","90","","90","","16463.8","0.5","103","2","103","2","","","","","","","","6","C m c m","-C 2c 2","63","","","","- C66 H30 Cu6 N0 O36 S3 -","- C66 H30 Cu6 O36 S3 -","- C264 H120 Cu24 O144 S12 -","4","0.25","","Wang, Fei; Kusaka, Shinpei; Hijikata, Yuh; Hosono, Nobuhiko; Kitagawa, Susumu","Development of a Porous Coordination Polymer with a High Gas Capacity Using a Thiophene-Based Bent Tetracarboxylate Ligand.","ACS applied materials & interfaces","2017","9","39","33455","33460","10.1021/acsami.7b01568","","","0.71073","MoKα","","0.0565","0.0484","","","0.1573","0.1676","","","","","","1.016","","","","has coordinates","202557","2020-10-21","18:00:00",""
"4514266","21.7531","0.0019","22.563","0.002","8.8918","0.0007","90","","112.228","0.002","90","","4039.9","0.6","100","2","100","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C32 H24 Cr2 N4 Ni O7 -","- C32 H24 Cr2 N4 Ni O7 -","- C128 H96 Cr8 N16 Ni4 O28 -","4","0.5","","Scott, Hayley S.; Shivanna, Mohana; Bajpai, Alankriti; Madden, David G.; Chen, Kai-Jie; Pham, Tony; Forrest, Katherine A.; Hogan, Adam; Space, Brian; Perry Iv, John J.; Zaworotko, Michael J.","Highly Selective Separation of C2H2 from CO2 by a New Dichromate-Based Hybrid Ultramicroporous Material.","ACS applied materials & interfaces","2017","9","39","33395","33400","10.1021/acsami.6b15250","","","0.71073","MoKα","","0.0794","0.0715","","","0.2091","0.214","","","","","","1.082","","","","has coordinates,has disorder","202558","2020-10-21","18:00:00",""
"4514267","22.024","0.004","27.633","0.006","14.31","0.003","90","","104.42","0.03","90","","8435","3","293","2","293","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C74 H48 Co3 N13 O12 S2 -","- C74 H48 Co3 N13 O12 S2 -","- C296 H192 Co12 N52 O48 S8 -","4","0.5","","Chen, Qiang; Feng, Rui; Xu, Jian; Jia, Yan-Yuan; Wang, Ting-Ting; Chang, Ze; Bu, Xian-He","Kinetic and Thermodynamic Control of Structure Transformations in a Family of Cobalt(II)-Organic Frameworks.","ACS applied materials & interfaces","2017","9","40","35141","35149","10.1021/acsami.7b12925","","","0.71073","MoKα","","0.1671","0.0847","","","0.2072","0.2469","","","","","","0.994","","","","has coordinates","202559","2020-10-21","18:00:00",""
"4514268","21.554","0.004","27.53","0.006","14.267","0.003","90","","102.58","0.03","90","","8263","3","113","2","113","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C86 H80 Co3 N16 O18 S2 -","- C86 H80 Co3 N16 O18 S2 -","- C344 H320 Co12 N64 O72 S8 -","4","0.5","","Chen, Qiang; Feng, Rui; Xu, Jian; Jia, Yan-Yuan; Wang, Ting-Ting; Chang, Ze; Bu, Xian-He","Kinetic and Thermodynamic Control of Structure Transformations in a Family of Cobalt(II)-Organic Frameworks.","ACS applied materials & interfaces","2017","9","40","35141","35149","10.1021/acsami.7b12925","","","0.71073","MoKα","","0.06","0.0485","","","0.1173","0.1246","","","","","","1.078","","","","has coordinates,has disorder","202559","2020-10-21","18:00:00",""
"4514269","22.0413","0.0004","27.5063","0.0004","14.3847","0.0003","90","","105.334","0.002","90","","8410.6","0.3","293","2","293","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C78 H48 Co3 N12 O12 S2 -","- C78 H48 Co3 N12 O12 S2 -","- C312 H192 Co12 N48 O48 S8 -","4","0.5","","Chen, Qiang; Feng, Rui; Xu, Jian; Jia, Yan-Yuan; Wang, Ting-Ting; Chang, Ze; Bu, Xian-He","Kinetic and Thermodynamic Control of Structure Transformations in a Family of Cobalt(II)-Organic Frameworks.","ACS applied materials & interfaces","2017","9","40","35141","35149","10.1021/acsami.7b12925","","","1.54178","CuKα","","0.1309","0.1004","","","0.2782","0.3121","","","","","","1.014","","","","has coordinates","202559","2020-10-21","18:00:00",""
"4514270","21.839","0.004","27.394","0.006","14.628","0.003","90","","103.78","0.03","90","","8499","3","293","2","293","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C88 H70 Co3 N14 O14 S2 -","- C88 H70 Co3 N14 O14 S2 -","- C352 H280 Co12 N56 O56 S8 -","4","0.5","","Chen, Qiang; Feng, Rui; Xu, Jian; Jia, Yan-Yuan; Wang, Ting-Ting; Chang, Ze; Bu, Xian-He","Kinetic and Thermodynamic Control of Structure Transformations in a Family of Cobalt(II)-Organic Frameworks.","ACS applied materials & interfaces","2017","9","40","35141","35149","10.1021/acsami.7b12925","","","0.71073","MoKα","","0.1357","0.0765","","","0.1592","0.1857","","","","","","1.067","","","","has coordinates","202559","2020-10-21","18:00:00",""
"4514271","22.904","0.004","27.653","0.005","24.028","0.004","90","","149.19","0.008","90","","7795","3","113","2","113","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C66 H48 Co3 N12 O15.25 S2 -","- C66 H48 Co3 N12 O15.373 S2 -","- C264 H192 Co12 N48 O61.492 S8 -","4","0.5","","Chen, Qiang; Feng, Rui; Xu, Jian; Jia, Yan-Yuan; Wang, Ting-Ting; Chang, Ze; Bu, Xian-He","Kinetic and Thermodynamic Control of Structure Transformations in a Family of Cobalt(II)-Organic Frameworks.","ACS applied materials & interfaces","2017","9","40","35141","35149","10.1021/acsami.7b12925","","","0.71073","MoKα","","0.1305","0.0907","","","0.2666","0.2883","","","","","","1.074","","","","has coordinates,has disorder","202559","2020-10-21","18:00:00",""
"4514272","12.585","0.003","17.882","0.004","18","0.004","100.378","0.007","98.456","0.009","97.805","0.006","3886","1.5","113","2","113","2","","","","","","","","6","P -1","-P 1","2","","","","- C75.5 H53 Co3 N12 O17 S2 -","- C75.564 H52.782 Co3 N12 O16.798 S2 -","- C151.128 H105.564 Co6 N24 O33.596 S4 -","2","1","","Chen, Qiang; Feng, Rui; Xu, Jian; Jia, Yan-Yuan; Wang, Ting-Ting; Chang, Ze; Bu, Xian-He","Kinetic and Thermodynamic Control of Structure Transformations in a Family of Cobalt(II)-Organic Frameworks.","ACS applied materials & interfaces","2017","9","40","35141","35149","10.1021/acsami.7b12925","","","0.71073","MoKα","","0.1937","0.1601","","","0.3682","0.3833","","","","","","1.073","","","","has coordinates,has disorder","202559","2020-10-21","18:00:00",""
"4514273","21.8639","0.0003","27.4335","0.0004","14.4179","0.0002","90","","104.099","0.002","90","","8387.4","0.2","293","2","293","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C84 H48 Co3 N14 O14 S2 -","- C84 H48 Co3 N14 O14 S2 -","- C336 H192 Co12 N56 O56 S8 -","4","0.5","","Chen, Qiang; Feng, Rui; Xu, Jian; Jia, Yan-Yuan; Wang, Ting-Ting; Chang, Ze; Bu, Xian-He","Kinetic and Thermodynamic Control of Structure Transformations in a Family of Cobalt(II)-Organic Frameworks.","ACS applied materials & interfaces","2017","9","40","35141","35149","10.1021/acsami.7b12925","","","1.54178","CuKα","","0.0868","0.0722","","","0.2257","0.241","","","","","","1.082","","","","has coordinates","202559","2020-10-21","18:00:00",""
"4514274","21.9027","0.0003","27.4875","0.0004","14.4136","0.0002","90","","104.617","0.001","90","","8396.9","0.2","293","2","293","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C88 H48 Co3 N16 O16 S2 -","- C88 H48 Co3 N16 O16 S2 -","- C352 H192 Co12 N64 O64 S8 -","4","0.5","","Chen, Qiang; Feng, Rui; Xu, Jian; Jia, Yan-Yuan; Wang, Ting-Ting; Chang, Ze; Bu, Xian-He","Kinetic and Thermodynamic Control of Structure Transformations in a Family of Cobalt(II)-Organic Frameworks.","ACS applied materials & interfaces","2017","9","40","35141","35149","10.1021/acsami.7b12925","","","1.54178","CuKα","","0.0862","0.0692","","","0.1959","0.2121","","","","","","1.04","","","","has coordinates","202559","2020-10-21","18:00:00",""
"4514275","22.0702","0.0015","27.4461","0.0017","14.1594","0.001","90","","105.325","0.001","90","","8272","1","113","2","113","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C86 H52 Co3 N15 O15 S2 -","- C86 H52 Co3 N15 O15 S2 -","- C344 H208 Co12 N60 O60 S8 -","4","0.5","","Chen, Qiang; Feng, Rui; Xu, Jian; Jia, Yan-Yuan; Wang, Ting-Ting; Chang, Ze; Bu, Xian-He","Kinetic and Thermodynamic Control of Structure Transformations in a Family of Cobalt(II)-Organic Frameworks.","ACS applied materials & interfaces","2017","9","40","35141","35149","10.1021/acsami.7b12925","","","0.71073","MoKα","","0.0842","0.0748","","","0.2341","0.2444","","","","","","1.058","","","","has coordinates","202559","2020-10-21","18:00:00",""
"4514276","21.9628","0.0013","27.4453","0.0015","14.1306","0.0008","90","","104.658","0.001","90","","8240.4","0.8","113","2","113","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C89 H64 Co3 N15 O15 S2 -","- C89 H70 Co3 N15 O15 S2 -","- C356 H280 Co12 N60 O60 S8 -","4","0.5","","Chen, Qiang; Feng, Rui; Xu, Jian; Jia, Yan-Yuan; Wang, Ting-Ting; Chang, Ze; Bu, Xian-He","Kinetic and Thermodynamic Control of Structure Transformations in a Family of Cobalt(II)-Organic Frameworks.","ACS applied materials & interfaces","2017","9","40","35141","35149","10.1021/acsami.7b12925","","","0.71073","MoKα","","0.0578","0.0512","","","0.1404","0.1452","","","","","","1.012","","","","has coordinates","202559","2020-10-21","18:00:00",""
"4514277","12.974","0.003","41.124","0.008","16.447","0.003","90","","98.2","0.03","90","","8685","3","100","2","100","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C64 H137 N11 O33 -","- C64 H111 N11 O33 -","- C256 H444 N44 O132 -","4","2","","Götze, Sebastian; Herbst-Irmer, Regine; Klapper, Martin; Görls, Helmar; Schneider, Kilian R. A.; Barnett, Robert; Burks, Thomas; Neu, Ursula; Stallforth, Pierre","Structure, Biosynthesis, and Biological Activity of the Cyclic Lipopeptide Anikasin.","ACS chemical biology","2017","12","10","2498","2502","10.1021/acschembio.7b00589","","","0.89429","","","0.1193","0.0921","","","0.2511","0.2766","","","","","","1.034","","","","has coordinates,has disorder","202573","2020-10-21","18:00:00",""
"4514278","16.3885","0.0003","16.597","0.0003","21.2038","0.0005","91.749","0.002","101.863","0.002","113.393","0.002","5139.8","0.2","293","2","293","2","","","","","","","","6","P -1","-P 1","2","","","","- Cu2 Gd4 H104 O120 W19 Zn3 -","- Cu2 Gd4 O120 W19 Zn3 -","- Cu4 Gd8 O240 W38 Zn6 -","2","1","","Zhao, Min; Zhang, Xian-Wei; Wu, Chuan-De","Structural Transformation of Porous Polyoxometalate Frameworks and Highly Efficient Biomimetic Aerobic Oxidation of Aliphatic Alcohols","ACS Catalysis","2017","7","10","6573","","10.1021/acscatal.7b01985","","","0.71073","MoKα","","0.0651","0.0426","","","0.0924","0.1032","","","","","","1.038","","","","has coordinates","202575","2020-10-21","18:00:00",""
"4514279","12.3498","0.0013","13.2731","0.0013","16.0314","0.0011","68.011","0.008","70.892","0.008","69.811","0.009","2226.9","0.4","293","2","293","2","","","","","","","","6","P -1","-P 1","2","","","","- Cu2 Gd4 H114 O105 W19 Zn3 -","- Cu2 Gd4 O105 W19 Zn3 -","- Cu2 Gd4 O105 W19 Zn3 -","1","0.5","","Zhao, Min; Zhang, Xian-Wei; Wu, Chuan-De","Structural Transformation of Porous Polyoxometalate Frameworks and Highly Efficient Biomimetic Aerobic Oxidation of Aliphatic Alcohols","ACS Catalysis","2017","7","10","6573","","10.1021/acscatal.7b01985","","","0.71073","MoKα","","0.1359","0.0913","","","0.2082","0.2351","","","","","","1.266","","","","has coordinates","202576","2020-10-21","18:00:00",""
"4514280","11.051","0.0014","15.235","0.002","16.459","0.002","90","","105.354","0.004","90","","2672.2","0.6","100","2","100","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C26 H28 N4 O7 Ru S -","- C26 H28 N4 O7 Ru S -","- C104 H112 N16 O28 Ru4 S4 -","4","1","","Matheu, Roc; Ertem, Mehmed Z.; Gimbert-Suriñach, Carolina; Benet-Buchholz, Jordi; Sala, Xavier; Llobet, Antoni","Hydrogen Bonding Rescues Overpotential in Seven-Coordinated Ru Water Oxidation Catalysts","ACS Catalysis","2017","7","10","6525","","10.1021/acscatal.7b01860","","","0.71073","MoKα","","0.043","0.0307","","","0.0696","0.0755","","","","","","1.037","","","","has coordinates,has disorder","202577","2020-10-21","18:00:00",""
"4514281","9.919","0.006","10.244","0.005","10.412","0.006","65.248","0.012","89.25","0.02","80.89","0.02","947","0.9","293","2","293","2","","","","","","","","6","P -1","-P 1","2","","","","- C17 H25 Ir N2 O6 S -","- C17 H25 Ir N2 O6 S -","- C34 H50 Ir2 N4 O12 S2 -","2","1","","Kanega, Ryoichi; Onishi, Naoya; Szalda, David J.; Ertem, Mehmed Z.; Muckerman, James T.; Fujita, Etsuko; Himeda, Yuichiro","CO2 Hydrogenation Catalysts with Deprotonated Picolinamide Ligands","ACS Catalysis","2017","7","10","6426","","10.1021/acscatal.7b02280","","","0.71075","MoKα","","0.0483","0.0447","","","0.107","0.1104","","","","","","1.111","","","","has coordinates","202578","2020-10-21","18:00:00",""
"4514282","12.1349","0.0008","12.2766","0.0008","18.6225","0.0012","85.388","0.001","74.176","0.001","65.392","0.001","2425","0.3","100","2","100","2","","","","","","","","6","P 1","P 1","1","","","","- C102 H149 Cl In2 N4 O5 -","- C102 H149 Cl In2 N4 O5 -","- C102 H149 Cl In2 N4 O5 -","1","1","","Ebrahimi, Tannaz; Aluthge, Dinesh C.; Patrick, Brian O.; Hatzikiriakos, Savvas G.; Mehrkhodavandi, Parisa","Air- and Moisture-Stable Indium Salan Catalysts for Living Multiblock PLA Formation in Air","ACS Catalysis","2017","7","10","6413","","10.1021/acscatal.7b01939","","x-ray","0.71073","MoKα","","0.0257","0.0227","","","0.0463","0.0473","","","","","","1.009","","","","has coordinates,has disorder","202579","2020-10-21","18:00:00",""
"4514283","12.196","0.004","12.295","0.004","18.618","0.006","86.04","0.01","73.489","0.009","64.932","0.01","2420.3","1.4","100","2","100","2","","","","","","","","6","P 1","P 1","1","","","","- C96.95 H139.51 Cl In2 N4 O5 -","- C96.92 H139.48 Cl In2 N4 O5 -","- C96.92 H139.48 Cl In2 N4 O5 -","1","1","","Ebrahimi, Tannaz; Aluthge, Dinesh C.; Patrick, Brian O.; Hatzikiriakos, Savvas G.; Mehrkhodavandi, Parisa","Air- and Moisture-Stable Indium Salan Catalysts for Living Multiblock PLA Formation in Air","ACS Catalysis","2017","7","10","6413","","10.1021/acscatal.7b01939","","x-ray","0.71073","MoKα","","0.0976","0.0853","","","0.2324","0.2427","","","","","","1.108","","","","has coordinates,has disorder","202579","2020-10-21","18:00:00",""
"4514284","12.0666","0.0005","12.3213","0.0006","18.3525","0.0008","74.092","0.001","87.97","0.001","65.236","0.001","2372.91","0.19","100","2","100","2","","","","","","","","5","P 1","P 1","1","","","","- C86 H128 In2 N4 O6 -","- C86 H128 In2 N4 O6 -","- C86 H128 In2 N4 O6 -","1","1","","Ebrahimi, Tannaz; Aluthge, Dinesh C.; Patrick, Brian O.; Hatzikiriakos, Savvas G.; Mehrkhodavandi, Parisa","Air- and Moisture-Stable Indium Salan Catalysts for Living Multiblock PLA Formation in Air","ACS Catalysis","2017","7","10","6413","","10.1021/acscatal.7b01939","","x-ray","0.71073","MoKα","","0.0784","0.0533","","","0.0948","0.102","","","","","","0.83","","","","has coordinates,has disorder","202579","2020-10-21","18:00:00",""
"4514285","17.557","0.006","19.409","0.008","12.845","0.004","90","","99.726","0.008","90","","4314","3","100","2","100","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C72 H104 In2 N4 O6 -","- C72 H104 In2 N4 O6 -","- C144 H208 In4 N8 O12 -","2","0.5","","Ebrahimi, Tannaz; Aluthge, Dinesh C.; Patrick, Brian O.; Hatzikiriakos, Savvas G.; Mehrkhodavandi, Parisa","Air- and Moisture-Stable Indium Salan Catalysts for Living Multiblock PLA Formation in Air","ACS Catalysis","2017","7","10","6413","","10.1021/acscatal.7b01939","","x-ray","0.71073","MoKα","","0.1051","0.0588","","","0.1453","0.1893","","","","","","1.081","","","","has coordinates,has disorder","202579","2020-10-21","18:00:00",""
"4514286","5.1494","0.0009","10.5103","0.0018","23.635","0.004","90","","90","","90","","1279.2","0.4","93","2","93","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","(S)-2-(4-Bromophenyl)-4-oxo-4-(1H-pyrrol-1-yl)butanenitrile","","","- C14 H11 Br N2 O -","- C14 H11 Br N2 O -","- C56 H44 Br4 N8 O4 -","4","1","","Hatano, Manabu; Yamakawa, Katsuya; Ishihara, Kazuaki","Enantioselective Conjugate Hydrocyanation of α,β-Unsaturated N-Acylpyrroles Catalyzed by Chiral Lithium(I) Phosphoryl Phenoxide","ACS Catalysis","2017","7","10","6686","","10.1021/acscatal.7b02551","","","0.71075","MoKα","","0.0205","0.0188","","","0.0391","0.0393","","","","","","0.967","","","","has coordinates","202580","2020-10-21","18:00:00",""
"4514287","9.06","0.002","10.055","0.002","10.287","0.003","81.458","0.004","72.948","0.004","86.293","0.004","885.8","0.4","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","dimethyl 5-chloro-2-oxo-5',6',7',7a'tetrahydrospiro[indoline-3,3'-pyrrolizine]-1',2'-dicarboxylate","","- C18 H17 Cl N2 O5 -","- C18 H17 Cl N2 O5 -","- C36 H34 Cl2 N4 O10 -","2","1","","Mali, Prakash R.; Shirsat, Prashishkumar K.; Khomane, Navnath; Nayak, Lakshama; Nanubolu, Jagadeesh Babu; Meshram, H. M.","1,3-Dipolar Cycloaddition Reactions for the Synthesis of Novel Oxindole Derivatives and Their Cytotoxic Properties.","ACS combinatorial science","2017","19","10","633","639","10.1021/acscombsci.7b00044","","","0.71073","MoKα","","0.0618","0.0554","","","0.1512","0.1566","","","","","","1.061","","","","has coordinates","202585","2020-10-21","18:00:00",""
"4514288","15.58","0.03","10.475","0.015","35.3","0.05","90","","99.07","0.03","90","","5689","16","293","2","293","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","Diethyl 5-chloro-5'-isobutyl-2-oxo-1-(2-oxo-2-phenylethyl)-1',5'-dihydrospiro[indoline-3,2'-pyrrole]-3',4'-dicarboxylate","","- C29 H31 Cl N2 O6 -","- C29 H31 Cl N2 O6 -","- C232 H248 Cl8 N16 O48 -","8","2","","Mali, Prakash R.; Shirsat, Prashishkumar K.; Khomane, Navnath; Nayak, Lakshama; Nanubolu, Jagadeesh Babu; Meshram, H. M.","1,3-Dipolar Cycloaddition Reactions for the Synthesis of Novel Oxindole Derivatives and Their Cytotoxic Properties.","ACS combinatorial science","2017","19","10","633","639","10.1021/acscombsci.7b00044","","","0.71073","MoKα","","0.1216","0.0695","","","0.1521","0.1764","","","","","","1.046","","","","has coordinates,has disorder","202586","2020-10-21","18:00:00",""
"4514289","8.76727","0.00017","24.7029","0.0005","9.7159","0.0002","90","","100.555","0.0018","90","","2068.63","0.07","150","2","150","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C23 H19 F3 N4 O2 -","- C23 H19 F3 N4 O2 -","- C92 H76 F12 N16 O8 -","4","1","","Ye, Jian-Heng; Zhu, Lei; Yan, Si-Shun; Miao, Meng; Zhang, Xin-Chi; Zhou, Wen-Jun; Li, Jing; Lan, Yu; Yu, Da-Gang","Radical Trifluoromethylative Dearomatization of Indoles and Furans with CO2","ACS Catalysis","2017","7","12","8324","","10.1021/acscatal.7b02533","","","1.54184","CuKα","","0.0582","0.0548","","","0.1459","0.1498","","","","","","1.06","","","","has coordinates","203978","2020-10-21","18:00:00",""
"4514290","9.4232","0.0007","10.4405","0.0005","14.3166","0.0012","98.121","0.006","99.958","0.007","116.027","0.007","1208.5","0.18","100","0.1","100","0.1","","","","","","","synthesis as described","5","P -1","-P 1","2","","","","- C20 H20 Cl2 N8 Ru -","- C20 H20 Cl2 N8 Ru -","- C40 H40 Cl4 N16 Ru2 -","2","1","","Telleria, Ainara; Vicent, Cristian; San Nacianceno, Virginia; Garralda, María A.; Freixa, Zoraida","Experimental Evidence Supporting Related Mechanisms for Ru(II)-Catalyzed Dehydrocoupling and Hydrolysis of Amine-Boranes","ACS Catalysis","2017","7","12","8394","","10.1021/acscatal.7b02958","","x-ray","1.54184","CuKα","","0.0935","0.0799","","","0.2203","0.2324","","","","","","1.139","","","","has coordinates,has disorder","203976","2020-10-21","18:00:00",""
"4514291","6.9529","0.0002","11.5712","0.0007","16.87","0.0013","92.79","0.006","99.326","0.004","96.309","0.004","1328.14","0.14","100","0.1","100","0.1","","","","","","","synthesis as described","6","P -1","-P 1","2","","","","- C24 H22 Cl2 N2 O3.95 Ru -","- C24 H22 Cl2 N2 O3.95 Ru -","- C48 H44 Cl4 N4 O7.9 Ru2 -","2","1","","Telleria, Ainara; Vicent, Cristian; San Nacianceno, Virginia; Garralda, María A.; Freixa, Zoraida","Experimental Evidence Supporting Related Mechanisms for Ru(II)-Catalyzed Dehydrocoupling and Hydrolysis of Amine-Boranes","ACS Catalysis","2017","7","12","8394","","10.1021/acscatal.7b02958","","x-ray","0.71073","MoKα","","0.1093","0.0767","","","0.1942","0.2107","","","","","","1","","","","has coordinates,has disorder","203976","2020-10-21","18:00:00",""
"4514292","10.6051","0.0008","10.7857","0.0009","16.5095","0.0015","93.576","0.007","102.19","0.007","107.715","0.007","1742","0.3","100.01","0.1","100.01","0.1","","","","","","","synthesis as described","6","P -1","-P 1","2","","","","- C23 H23 Br Cl11 N5 Ru -","- C23 H23 Br Cl11 N5 Ru -","- C46 H46 Br2 Cl22 N10 Ru2 -","2","1","","Telleria, Ainara; Vicent, Cristian; San Nacianceno, Virginia; Garralda, María A.; Freixa, Zoraida","Experimental Evidence Supporting Related Mechanisms for Ru(II)-Catalyzed Dehydrocoupling and Hydrolysis of Amine-Boranes","ACS Catalysis","2017","7","12","8394","","10.1021/acscatal.7b02958","","x-ray","1.54184","CuKα","","0.0782","0.0659","","","0.1708","0.1847","","","","","","1.023","","","","has coordinates,has disorder","203976","2020-10-21","18:00:00",""
"4514293","12.1191","0.0018","13.987","0.002","14.338","0.002","66.838","0.002","73.267","0.002","64.731","0.002","1999.6","0.5","200","2","200","2","","","","","","","","4","P -1","-P 1","2","","","","- C46 H48 N4 Zn -","- C46 H48 N4 Zn -","- C92 H96 N8 Zn2 -","2","1","","Lortie, John L.; Dudding, Travis; Gabidullin, Bulat M.; Nikonov, Georgii I.","Zinc-Catalyzed Hydrosilylation and Hydroboration of N-Heterocycles","ACS Catalysis","2017","7","12","8454","","10.1021/acscatal.7b02811","","","0.71073","MoKα","","0.0751","0.0457","","","0.124","0.1462","","","","","","1.056","","","","has coordinates,has disorder","203979","2020-10-21","18:00:00",""
"4514294","10.37402","0.00014","10.37402","0.00014","6.25935","0.00009","90","","90","","120","","583.383","0.014","293","2","293","2","","","","","","","","4","P 63 m c","P 6c -2c","186","","disodium tetracalcium pentacarbonate","","- C5 Ca4 Na2 O15 -","- C5 Ca3.9999 Na2.0001 O15 -","- C10 Ca7.9998 Na4.0002 O30 -","2","0.166667","","Rashchenko, Sergey V.; Bakakin, Vladimir V.; Shatskiy, Anton F.; Gavryushkin, Pavel N.; Seryotkin, Yurii V.; Litasov, Konstantin D.","Noncentrosymmetric Na2Ca4(CO3)5 Carbonate of “M13M23XY3Z” Structural Type and Affinity between Borate and Carbonate Structures for Design of New Optical Materials","Crystal Growth & Design","2017","17","11","6079","","10.1021/acs.cgd.7b01161","","","0.71073","MoKα","","0.0205","0.0199","","","0.0499","0.0505","","","","","","1.155","","","","has coordinates","203308","2020-10-21","18:00:00",""
"4514295","38.586","0.006","38.586","0.006","29.661","0.006","90","","90","","120","","38245","11","100","2","100","2","","","","","","","","6","R -3 m","-R 3 2""","166","","","","- C30 H30 Cd2 Cl9 N20 O11.17 -","- C30 H30 Cd2 Cl9 N20 O11.1667 -","- C540 H540 Cd36 Cl162 N360 O201 -","18","","","Yao, Yu-Qing; Zhang, Ying-Jie; Zhang, Yun-Qian; Tao, Zhu; Ni, Xin-Long; Wei, Gang","Multiple Efficient Fluorescence Emission from Cucurbit[10]uril-[Cd4Cl16]8‒Based Pillared Diamond Porous Supramolecular Frameworks.","ACS applied materials & interfaces","2017","9","46","40760","40765","10.1021/acsami.7b15673","","","0.7108","silicondoublecrystalmonochromatedsynchrotron","","0.0532","0.0439","","","0.1374","0.1451","","","","","","1.031","","","","has coordinates","203975","2020-10-21","18:00:00",""
"4514296","12.9758","0.0005","7.5976","0.0003","16.6409","0.0009","90","","95.664","0.004","90","","1632.53","0.13","293","2","293","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C34 H38 N2 O8 -","- C34 H38 N2 O8 -","- C68 H76 N4 O16 -","2","1","","Liu, Guofeng; Li, Xin; Sheng, Jianhui; Li, Pei-Zhou; Ong, Wee Kong; Phua, Soo Zeng Fiona; Ågren, Hans; Zhu, Liangliang; Zhao, Yanli","Helicity Inversion of Supramolecular Hydrogels Induced by Achiral Substituents.","ACS nano","2017","11","12","11880","11889","10.1021/acsnano.7b06097","","","1.54184","CuKα","","0.0354","0.033","","","0.0874","0.09","","","","","","1.036","","","","has coordinates","204780","2020-10-21","18:00:00",""
"4514297","12.7269","0.0006","7.587","0.0003","16.475","0.0007","90","","95.706","0.004","90","","1582.93","0.12","293","2","293","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C34 H38 N2 O8 -","- C34 H38 N2 O8 -","- C68 H76 N4 O16 -","2","1","","Liu, Guofeng; Li, Xin; Sheng, Jianhui; Li, Pei-Zhou; Ong, Wee Kong; Phua, Soo Zeng Fiona; Ågren, Hans; Zhu, Liangliang; Zhao, Yanli","Helicity Inversion of Supramolecular Hydrogels Induced by Achiral Substituents.","ACS nano","2017","11","12","11880","11889","10.1021/acsnano.7b06097","","","1.54184","CuKα","","0.0437","0.0377","","","0.0951","0.101","","","","","","1.087","","","","has coordinates","204780","2020-10-21","18:00:00",""
"4514298","13.1807","0.0013","21.777","0.002","15.5892","0.0017","90","","97.999","0.008","90","","4431.1","0.8","100","2","100","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C34.67 H38.67 Cl0.67 N1.33 Ni0.67 P0.67 -","- C52 H58 Cl N2 Ni P -","- C208 H232 Cl4 N8 Ni4 P4 -","4","1","","Nazari, S. Hadi; Bourdeau, Jefferson E.; Talley, Michael R.; Valdivia-Berroeta, Gabriel A.; Smith, Stacey J.; Michaelis, David J.","Nickel-Catalyzed Suzuki Cross Couplings with Unprotected Allylic Alcohols Enabled by Bidentate N-Heterocyclic Carbene (NHC)/Phosphine Ligands","ACS Catalysis","2017","8","1","86","","10.1021/acscatal.7b03079","","","1.54178","CuKα","","0.1346","0.1167","","","0.2832","0.2925","","","","","","1.869","","","","has coordinates","206114","2020-10-21","18:00:00",""
"4514299","18.468","0.003","5.7696","0.0008","29.486","0.004","90","","91.375","0.002","90","","3140.9","0.8","296","2","296.15","","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C18 H18 O2 S2 -","- C18 H18 O2 S2 -","- C144 H144 O16 S16 -","8","1","","Lanzi, Matteo; Cañeque, Tatiana; Marchiò, Luciano; Maggi, Raimondo; Bigi, Franca; Malacria, Max; Maestri, Giovanni","Alternative Routes to Tricyclic Cyclohexenes with Trinuclear Palladium Complexes","ACS Catalysis","2017","8","1","144","","10.1021/acscatal.7b03366","","","0.71073","MoKα","","0.0491","0.0374","","","0.0903","0.0999","","","","","","1.002","","","","has coordinates,has disorder","206115","2020-10-21","18:00:00",""
"4514300","19.9655","0.0017","9.2515","0.0008","27.268","0.002","90","","104.314","0.002","90","","4880.3","0.7","296","","296.15","","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C29 H29 N O3 S -","- C29 H29 N O3 S -","- C232 H232 N8 O24 S8 -","8","1","","Lanzi, Matteo; Cañeque, Tatiana; Marchiò, Luciano; Maggi, Raimondo; Bigi, Franca; Malacria, Max; Maestri, Giovanni","Alternative Routes to Tricyclic Cyclohexenes with Trinuclear Palladium Complexes","ACS Catalysis","2017","8","1","144","","10.1021/acscatal.7b03366","","","0.71073","MoKα","","0.1005","0.0557","","","0.1409","0.1631","","","","","","1.013","","","","has coordinates","206115","2020-10-21","18:00:00",""
"4514301","17.6216","0.0007","14.3906","0.0005","22.3619","0.0009","90","","91.6518","0.0014","90","","5668.3","0.4","120","2","120","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C121 H176 O12 P2 Sc2 -","- C121 H176 O12 P2 Sc2 -","- C242 H352 O24 P4 Sc4 -","2","0.5","","Xu, Pengfei; Xu, Xin","Homoleptic Rare-Earth Aryloxide Based Lewis Pairs for Polymerization of Conjugated Polar Alkenes","ACS Catalysis","2017","8","1","198","","10.1021/acscatal.7b02875","","","0.71073","MoKα","","0.0775","0.0505","","","0.1318","0.1567","","","","","","1.042","","","","has coordinates,has disorder","206117","2020-10-21","18:00:00",""
"4514302","13.4046","0.0006","15.1609","0.0007","28.5176","0.0013","90","","103.471","0.002","90","","5636.1","0.4","160","2","160","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C60 H86 O5 P Sc -","- C60 H86 O5 P Sc -","- C240 H344 O20 P4 Sc4 -","4","1","","Xu, Pengfei; Xu, Xin","Homoleptic Rare-Earth Aryloxide Based Lewis Pairs for Polymerization of Conjugated Polar Alkenes","ACS Catalysis","2017","8","1","198","","10.1021/acscatal.7b02875","","","0.71073","MoKα","","0.0757","0.0485","","","0.1285","0.1546","","","","","","1.054","","","","has coordinates,has disorder","206117","2020-10-21","18:00:00",""
"4514303","37.914","0.003","37.914","0.003","29.541","0.002","90","","90","","120","","36775","5","296","2","296.15","","","","","","","","","5","R -3 c","-R 3 2""c","167","","","","- C60 H46 Co3 N6 O14 -","- C60 H46 Co3 N6 O14 -","- C1080 H828 Co54 N108 O252 -","18","","","Zhang, Tao; Hu, Yue-Qiao; Mo, Zong-Wen; Liao, Pei-Qin; Sakiyama, Hiroshi; Han, Tian; Chen, Xiao-Ming; Zheng, Yan-Zhen","Cobalt(II) Magnetic Metal-Organic Framework with an Effective Kagomé Lattice, Large Surface Area, and High Spin-Canted Ordering Temperature.","ACS applied materials & interfaces","2017","9","44","38181","38186","10.1021/acsami.7b10757","","","0.71073","MoKα","","0.0819","0.0583","","","0.1658","0.1888","","","","","","1.128","","","","has coordinates","203916","2020-10-21","18:00:00",""
"4514304","11.1897","0.0009","13.3772","0.0012","18.9706","0.0016","86.4062","0.0013","89.5645","0.0013","84.3179","0.0014","2820.1","0.4","100","2","100","2","","","","","","","","7","P -1","-P 1","2","","","","- C6 H6 Au Cl F9 O3 P -","- C6 H6 Au Cl F9 O3 P -","- C48 H48 Au8 Cl8 F72 O24 P8 -","8","4","","Carden, Will G.; Pedziwiatr, Jakub; Abboud, Khalil A.; McElwee-White, Lisa","Halide Effects on the Sublimation Temperature of X-Au-L Complexes: Implications for Their Use as Precursors in Vapor Phase Deposition Methods.","ACS applied materials & interfaces","2017","9","46","40998","41005","10.1021/acsami.7b12465","","","0.71073","MoKα","","0.0332","0.0285","","","0.0746","0.0769","","","","","","1.041","","","","has coordinates","254835","2020-10-21","18:00:00",""
"4514305","14.8743","0.0005","11.3479","0.0004","7.2893","0.0003","90","","90","","90","","1230.38","0.08","100","2","100","2","","","","","","","","6","P n m a","-P 2ac 2n","62","","","","- C6 H18 Au Br N3 P -","- C6 H18 Au Br N3 P -","- C24 H72 Au4 Br4 N12 P4 -","4","0.5","","Carden, Will G.; Pedziwiatr, Jakub; Abboud, Khalil A.; McElwee-White, Lisa","Halide Effects on the Sublimation Temperature of X-Au-L Complexes: Implications for Their Use as Precursors in Vapor Phase Deposition Methods.","ACS applied materials & interfaces","2017","9","46","40998","41005","10.1021/acsami.7b12465","","","0.71073","MoKα","","0.0157","0.0119","","","0.0259","0.0264","","","","","","1.02","","","","has coordinates","203918","2020-10-21","18:00:00",""
"4514306","16.7653","0.001","21.4245","0.0013","8.369","0.0005","90","","99.527","0.001","90","","2964.6","0.3","100","2","100","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C6 H6 Au F9 I O3 P -","- C6 H6 Au F9 I O3 P -","- C48 H48 Au8 F72 I8 O24 P8 -","8","2","","Carden, Will G.; Pedziwiatr, Jakub; Abboud, Khalil A.; McElwee-White, Lisa","Halide Effects on the Sublimation Temperature of X-Au-L Complexes: Implications for Their Use as Precursors in Vapor Phase Deposition Methods.","ACS applied materials & interfaces","2017","9","46","40998","41005","10.1021/acsami.7b12465","","","0.71073","MoKα","","0.0421","0.039","","","0.0961","0.0976","","","","","","1.189","","","","has coordinates,has disorder","203919","2020-10-21","18:00:00",""
"4514307","15.0773","0.001","11.4116","0.0008","7.5983","0.0005","90","","90","","90","","1307.33","0.15","100","2","100","2","","","","","","","","6","P n m a","-P 2ac 2n","62","","","","- C6 H18 Au I N3 P -","- C6 H18 Au I N3 P -","- C24 H72 Au4 I4 N12 P4 -","4","0.5","","Carden, Will G.; Pedziwiatr, Jakub; Abboud, Khalil A.; McElwee-White, Lisa","Halide Effects on the Sublimation Temperature of X-Au-L Complexes: Implications for Their Use as Precursors in Vapor Phase Deposition Methods.","ACS applied materials & interfaces","2017","9","46","40998","41005","10.1021/acsami.7b12465","","","0.71073","MoKα","","0.0179","0.0165","","","0.0428","0.0432","","","","","","1.072","","","","has coordinates","203920","2020-10-21","18:00:00",""
"4514308","12.816","0.007","24.424","0.014","36.1","0.02","90","","90.887","0.008","90","","11299","11","100","2","100","2","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C48 H46 Au8 Br8 F72 O24 P8 -","- C48 H46 Au8 Br8 F72 O24 P8 -","- C192 H184 Au32 Br32 F288 O96 P32 -","4","1","","Carden, Will G.; Pedziwiatr, Jakub; Abboud, Khalil A.; McElwee-White, Lisa","Halide Effects on the Sublimation Temperature of X-Au-L Complexes: Implications for Their Use as Precursors in Vapor Phase Deposition Methods.","ACS applied materials & interfaces","2017","9","46","40998","41005","10.1021/acsami.7b12465","","","0.71073","MoKα","","0.0764","0.0463","","","0.0902","0.1015","","","","","","1.048","","","","has coordinates,has disorder","203921","2020-10-21","18:00:00",""
"4514309","10.1","0.002","15.2","0.003","14.3","0.003","90","","104.5","0.03","90","","2125.4","0.8","298","2","298","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C26 H16 N2 O8 Zn -","- C26 H16 N2 O8 Zn -","- C104 H64 N8 O32 Zn4 -","4","1","","Hu, Shuzhi; Zhang, Jie; Chen, Shuhuang; Dai, Jingcao; Fu, Zhiyong","Efficient Ultraviolet Light Detector Based on a Crystalline Viologen-Based Metal-Organic Framework with Rapid Visible Color Change under Irradiation.","ACS applied materials & interfaces","2017","9","46","39926","39929","10.1021/acsami.7b13367","","","0.71073","MoKα","","0.0744","0.045","","","0.1073","0.1413","","","","","","1.064","","","","has coordinates","203922","2020-10-21","18:00:00",""
"4514310","10.5888","0.0003","10.5888","0.0003","10.5888","0.0003","90","","90","","90","","1187.24","0.06","200","2","200","2","","","","","","","","3","P m -3 n","-P 4n 2 3","223","","","","- Al16 Ba8 Si30 -","- Al16.08 Ba8 Si29.92 -","- Al16.08 Ba8 Si29.92 -","1","0.0208333","","Zhao, Ran; Bobev, Svilen; Krishna, Lakshmi; Yang, Ting; Weller, J. Mark; Jing, Hangkun; Chan, Candace K.","Anodes for Lithium-Ion Batteries Based on Type I Silicon Clathrate Ba8Al16Si30 - Role of Processing on Surface Properties and Electrochemical Behavior.","ACS applied materials & interfaces","2017","9","47","41246","41257","10.1021/acsami.7b12810","","","0.71073","MoKα","","0.027","0.0197","","","0.0422","0.0451","","","","","","1.053","","","","has coordinates","203923","2020-10-21","18:00:00",""
"4514311","7.591","0.0005","17.6666","0.0012","15.5193","0.0011","90","","98.904","0.002","90","","2056.2","0.2","296","2","296","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C18 H16 Mn2 N2 O15 -","- C18 H16 Mn2 N2 O15 -","- C72 H64 Mn8 N8 O60 -","4","1","","Qin, Liang; Sun, Zi-Yan; Cheng, Kai; Liu, Shu-Wen; Pang, Jian-Xin; Xia, Li-Ming; Chen, Wen-Hua; Cheng, Zhen; Chen, Jin-Xiang","Zwitterionic Manganese and Gadolinium Metal-Organic Frameworks as Efficient Contrast Agents for in Vivo Magnetic Resonance Imaging.","ACS applied materials & interfaces","2017","9","47","41378","41386","10.1021/acsami.7b09608","","","0.71075","MoKα","","0.0743","0.0527","","","0.1004","0.107","","","","","","1.112","","","","has coordinates","203924","2020-10-21","18:00:00",""
"4514312","10.1468","0.0006","15.5239","0.0009","10.5159","0.0006","90","","102.202","0.001","90","","1619.02","0.16","296","2","296","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C9 H17 Gd N2 O15 -","- C9 H17 Gd N2 O15 -","- C36 H68 Gd4 N8 O60 -","4","1","","Qin, Liang; Sun, Zi-Yan; Cheng, Kai; Liu, Shu-Wen; Pang, Jian-Xin; Xia, Li-Ming; Chen, Wen-Hua; Cheng, Zhen; Chen, Jin-Xiang","Zwitterionic Manganese and Gadolinium Metal-Organic Frameworks as Efficient Contrast Agents for in Vivo Magnetic Resonance Imaging.","ACS applied materials & interfaces","2017","9","47","41378","41386","10.1021/acsami.7b09608","","","0.71073","MoKα","","0.0254","0.0236","","","0.0651","0.0668","","","","","","1.108","","","","has coordinates","203924","2020-10-21","18:00:00",""
"4514313","14.0588","0.0007","27.7078","0.0013","21.3914","0.001","90","","90","","90","","8332.8","0.7","100","2","100","2","","","","","","","","4","C 2 2 21","C 2c 2","20","","","","- C46 H58 N4 Pt -","- C46 H58 N4 Pt -","- C368 H464 N32 Pt8 -","8","1","","Bullock, James D.; Salehi, Amin; Zeman, 4th, Charles J; Abboud, Khalil A.; So, Franky; Schanze, Kirk S.","In Search of Deeper Blues: Trans-N-Heterocyclic Carbene Platinum Phenylacetylide as a Dopant for Phosphorescent OLEDs.","ACS applied materials & interfaces","2017","9","47","41111","41114","10.1021/acsami.7b12107","","","0.71073","MoKα","","0.0304","0.0268","","","0.0665","0.0674","","","","","","1.085","","","","has coordinates,has disorder","203925","2020-10-21","18:00:00",""
"4514314","8.682","0.0007","11.0069","0.0009","11.5211","0.0011","110.581","0.003","105.689","0.002","96.208","0.001","966.76","0.15","298","2","298","2","","","","","","","","5","P -1","-P 1","2","","","","- C22 H22 Cl N O5 -","- C22 H22 Cl N O5 -","- C44 H44 Cl2 N2 O10 -","2","1","","Lin, Wei; Zheng, Yong-Xiang; Xun, Zhan; Huang, Zhi-Bin; Shi, Da-Qing","Microwave-Assisted Regioselective Synthesis of 3-Functionalized Indole Derivatives via Three-Component Domino Reaction.","ACS combinatorial science","2017","19","11","708","713","10.1021/acscombsci.7b00126","","","0.71073","MoKα","","0.3532","0.2263","","","0.526","0.5961","","","","","","1.48","","","","has coordinates","203926","2020-10-21","18:00:00",""
"4514315","9.528","0.003","10.803","0.003","12.452","0.003","94.682","0.005","100.658","0.005","98.889","0.005","1236.4","0.6","93","2","93","2","","","","","","","","5","P 1","P 1","1","(R)-N-(1-(1-benzyl-1H-indol-3-yl)-1-phenylethyl) -4-methylbenzenesulfonamide","","","- C30 H28 N2 O2 S -","- C30 H28 N2 O2 S -","- C60 H56 N4 O4 S2 -","2","2","","Hatano, Manabu; Mochizuki, Takuya; Nishikawa, Keisuke; Ishihara, Kazuaki","Enantioselective Aza-Friedel‒Crafts Reaction of Indoles with Ketimines Catalyzed by Chiral Potassium Binaphthyldisulfonates","ACS Catalysis","2017","8","1","349","","10.1021/acscatal.7b03708","","","0.71075","MoKα","","0.0418","0.0378","","","0.092","0.0933","","","","","","1.022","","","","has coordinates","255262","2020-10-21","18:00:00",""
"4514316","15.348","0.007","11.244","0.004","17.721","0.007","90","","102.716","0.009","90","","2983","2","93","2","93","2","","","","","","","","5","P 1 21 1","P 2yb","4","(R)-Ar2-BINSA calcium(II) salt","","","- C60 H48 Ca O10 S2 -","- C60 H48 Ca O10 S2 -","- C120 H96 Ca2 O20 S4 -","2","1","","Hatano, Manabu; Mochizuki, Takuya; Nishikawa, Keisuke; Ishihara, Kazuaki","Enantioselective Aza-Friedel‒Crafts Reaction of Indoles with Ketimines Catalyzed by Chiral Potassium Binaphthyldisulfonates","ACS Catalysis","2017","8","1","349","","10.1021/acscatal.7b03708","","","0.71075","MoKα","","0.1374","0.0797","","","0.1955","0.216","","","","","","0.872","","","","has coordinates","206118","2020-10-21","18:00:00",""
"4514317","14.7088","0.0003","14.7088","0.0003","14.7088","0.0003","90","","90","","90","","3182.23","0.11","301","2","301","2","","","","","","","","2","F d -3 m","-F 4vw 2vw 3","227","Type II silicon clathrate","24 sodium 136 silicon","","- Na24 Si136 -","- Na24.0016 Si136 -","- Na24.0016 Si136 -","1","","","Morito, Haruhiko; Shimoda, Masashi; Yamane, Hisanori; Fujiwara, Kozo","Crystal Growth Conditions of Types I and II Na‒Si Clathrates by Evaporation of Na from a Na‒Si‒Sn Solution","Crystal Growth & Design","2017","18","1","351","","10.1021/acs.cgd.7b01342","","","0.71073","MoKα","","0.0082","0.0077","","","0.0268","0.0279","","","","","","1.236","","","","has coordinates","206138","2020-10-21","18:00:00",""
"4514318","15.5416","0.0005","22.2438","0.0009","23.488","0.0012","90","","90","","90","","8119.9","0.6","100","2","100","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C92 H76 Cl4 O10 Rh2 -","- C92 H76 Cl4 O10 Rh2 -","- C368 H304 Cl16 O40 Rh8 -","4","1","","Liao, Kuangbiao; Liu, Wenbin; Niemeyer, Zachary L.; Ren, Zhi; Bacsa, John; Musaev, Djamaladdin G.; Sigman, Mathew S.; Davies, Huw M. L.","Site-Selective Carbene-Induced C‒H Functionalization Catalyzed by Dirhodium Tetrakis(triarylcyclopropanecarboxylate) Complexes","ACS Catalysis","2017","8","1","678","","10.1021/acscatal.7b03421","","x-ray","0.71073","MoKα","","0.1316","0.1076","","","0.2028","0.2137","","","","","","1.142","","","","has coordinates,has disorder","206116","2020-10-21","18:00:00",""
"4514319","11.764","0.003","17.436","0.004","26.079","0.007","90","","91.389","0.006","90","","5348","2","100","2","100","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C124 H114 O11 Rh2 -","- C124 H114 O11 Rh2 -","- C248 H228 O22 Rh4 -","2","1","","Liao, Kuangbiao; Liu, Wenbin; Niemeyer, Zachary L.; Ren, Zhi; Bacsa, John; Musaev, Djamaladdin G.; Sigman, Mathew S.; Davies, Huw M. L.","Site-Selective Carbene-Induced C‒H Functionalization Catalyzed by Dirhodium Tetrakis(triarylcyclopropanecarboxylate) Complexes","ACS Catalysis","2017","8","1","678","","10.1021/acscatal.7b03421","","","0.71073","MoKα","","0.1395","0.0987","","","0.1964","0.2181","","","","","","1.104","","","","has coordinates","206116","2020-10-21","18:00:00",""
"4514320","12.5906","0.0002","22.4298","0.0004","11.671","0.0002","90","","101.86","0.0007","90","","3225.58","0.1","150","2","150","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C18 H43.6 Ca I2 N6 O6.8 -","- C18 H43.6 Ca I2 N6 O6.8 -","- C72 H174.4 Ca4 I8 N24 O27.2 -","4","1","","Longwitz, Lars; Steinbauer, Johannes; Spannenberg, Anke; Werner, Thomas","Calcium-Based Catalytic System for the Synthesis of Bio-Derived Cyclic Carbonates under Mild Conditions","ACS Catalysis","2017","8","1","665","","10.1021/acscatal.7b03367","","","0.71073","MoKα","","0.0285","0.0239","","","0.0554","0.0576","","","","","","1.048","","","","has coordinates","206119","2020-10-21","18:00:00",""
"4514321","10.6093","0.0002","7.3183","0.0001","18.0196","0.0003","90","","96.6981","0.0005","90","","1389.53","0.04","150","2","150","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C18 H39 Ca I2 N3 O7 -","- C18 H39 Ca I2 N3 O7 -","- C36 H78 Ca2 I4 N6 O14 -","2","0.5","","Longwitz, Lars; Steinbauer, Johannes; Spannenberg, Anke; Werner, Thomas","Calcium-Based Catalytic System for the Synthesis of Bio-Derived Cyclic Carbonates under Mild Conditions","ACS Catalysis","2017","8","1","665","","10.1021/acscatal.7b03367","","","0.71073","MoKα","","0.0223","0.0196","","","0.0466","0.048","","","","","","1.085","","","","has coordinates,has disorder","206119","2020-10-21","18:00:00",""
"4514322","31.2369","0.0002","44.0844","0.0004","29.4269","0.0002","90","","90","","90","","40522.6","0.5","100","","100","","","","","","","","","5","P n a 21","P 2c -2n","33","","","","- C21 H18 B3 N3 O6 -","- C21 H12 B3 N3 O6 -","- C1176 H672 B168 N168 O336 -","56","14","","Sarkar, Koushik; Dastidar, Parthasarathi","Supramolecular Hydrogel Derived from A C3-symmetric Boronic acid Derivative for Stimuli Responsive Release of Insulin and Doxorubicin.","Langmuir : the ACS journal of surfaces and colloids","2017","","","","","10.1021/acs.langmuir.7b03326","","","1.54184","CuKα","","0.0845","0.0789","","","0.2165","0.221","","","","","","1.029","","","","has coordinates","204549","2020-10-21","18:00:00",""
"4514323","19.795","0.007","5.3123","0.0019","22.606","0.008","90","","106.332","0.008","90","","2281.3","1.4","120","2","120.01","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C25 H18 N6 O2 -","- C25 H18 N6 O2 -","- C100 H72 N24 O8 -","4","1","","Sarkar, Koushik; Dastidar, Parthasarathi","Supramolecular Hydrogel Derived from A C3-symmetric Boronic acid Derivative for Stimuli Responsive Release of Insulin and Doxorubicin.","Langmuir : the ACS journal of surfaces and colloids","2017","","","","","10.1021/acs.langmuir.7b03326","","","0.71073","MoKα","","0.161","0.0802","","","0.1777","0.2362","","","","","","1.024","","","","has coordinates,has disorder","204550","2020-10-21","18:00:00",""
"4514324","5.7745","0.0004","15.6042","0.0012","16.0104","0.0012","90","","94.458","0.001","90","","1438.28","0.18","170","2","170","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C18 H17 F O2 -","- C18 H17 F O2 -","- C72 H68 F4 O8 -","4","2","","Mixdorf, Jason C.; Sorlin, Alexandre M.; Zhang, Qi; Nguyen, Hien M.","Asymmetric Synthesis of Allylic Fluorides via Fluorination of Racemic Allylic Trichloroacetimidates Catalyzed by a Chiral Diene-Iridium Complex","ACS Catalysis","2017","8","2","790","","10.1021/acscatal.7b03786","","","0.71073","MoKα","","0.0577","0.043","","","0.1075","0.1154","","","","","","1.054","","","","has coordinates","206131","2020-10-21","18:00:00",""
"4514325","20.627","0.002","10.6003","0.0011","14.9178","0.0015","90","","90","","90","","3261.8","0.6","190","2","190","2","","","","","","","","5","P 21 21 2","P 2 2ab","18","","","","- C40 H32 Cl2 F4 Ir2 -","- C40 H32 Cl2 F4 Ir2 -","- C160 H128 Cl8 F16 Ir8 -","4","1","","Mixdorf, Jason C.; Sorlin, Alexandre M.; Zhang, Qi; Nguyen, Hien M.","Asymmetric Synthesis of Allylic Fluorides via Fluorination of Racemic Allylic Trichloroacetimidates Catalyzed by a Chiral Diene-Iridium Complex","ACS Catalysis","2017","8","2","790","","10.1021/acscatal.7b03786","","","0.71073","MoKα","","0.0411","0.0309","","","0.0652","0.069","","","","","","1.06","","","","has coordinates","206131","2020-10-21","18:00:00",""
"4514326","18.1462","0.0018","7.5224","0.0007","22.412","0.002","90","","92.604","0.005","90","","3056.1","0.5","190","2","190","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C17 H13 Br F2 O2 -","- C17 H13 Br F2 O2 -","- C136 H104 Br8 F16 O16 -","8","4","","Mixdorf, Jason C.; Sorlin, Alexandre M.; Zhang, Qi; Nguyen, Hien M.","Asymmetric Synthesis of Allylic Fluorides via Fluorination of Racemic Allylic Trichloroacetimidates Catalyzed by a Chiral Diene-Iridium Complex","ACS Catalysis","2017","8","2","790","","10.1021/acscatal.7b03786","","","0.71073","MoKα","","0.0886","0.0461","","","0.0804","0.0917","","","","","","1.024","","","","has coordinates","206131","2020-10-21","18:00:00",""
"4514327","6.1963","0.0006","13.8442","0.0013","8.5199","0.0009","90","","101.713","0.005","90","","715.64","0.12","190","2","190","2","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C14 H18 F N O2 S -","- C14 H18 F N O2 S -","- C28 H36 F2 N2 O4 S2 -","2","1","","Mixdorf, Jason C.; Sorlin, Alexandre M.; Zhang, Qi; Nguyen, Hien M.","Asymmetric Synthesis of Allylic Fluorides via Fluorination of Racemic Allylic Trichloroacetimidates Catalyzed by a Chiral Diene-Iridium Complex","ACS Catalysis","2017","8","2","790","","10.1021/acscatal.7b03786","","","0.71073","MoKα","","0.0312","0.0279","","","0.0673","0.0691","","","","","","1.028","","","","has coordinates,has disorder","206131","2020-10-21","18:00:00",""
"4514328","5.9526","0.0005","9.1966","0.0007","33.092","0.003","90","","90","","90","","1811.6","0.3","160","2","160","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C22 H27 F O2 -","- C22 H27 F O2 -","- C88 H108 F4 O8 -","4","1","","Mixdorf, Jason C.; Sorlin, Alexandre M.; Zhang, Qi; Nguyen, Hien M.","Asymmetric Synthesis of Allylic Fluorides via Fluorination of Racemic Allylic Trichloroacetimidates Catalyzed by a Chiral Diene-Iridium Complex","ACS Catalysis","2017","8","2","790","","10.1021/acscatal.7b03786","","","0.71073","MoKα","","0.049","0.0405","","","0.1024","0.1072","","","","","","1.08","","","","has coordinates","206131","2020-10-21","18:00:00",""
"4514329","10.4611","0.0004","10.4724","0.0004","10.7499","0.0004","81.643","0.003","63.925","0.004","74.142","0.003","1017.12","0.08","120","","120","","","","","","","","","6","P -1","-P 1","2","","","","- C16 H56 Br7.06 I2.94 N8 Sn -","- C16 H56 Br7.056 I2.944 N8 Sn -","- C16 H56 Br7.056 I2.944 N8 Sn -","1","0.5","","Zhou, Chenkun; Tian, Yu; Yuan, Zhao; Lin, Haoran; Chen, Banghao; Clark, Ronald; Dilbeck, Tristan; Zhou, Yan; Hurley, Joseph; Neu, Jennifer; Besara, Tiglet; Siegrist, Theo; Djurovich, Peter; Ma, Biwu","Highly Efficient Broadband Yellow Phosphor Based on Zero-Dimensional Tin Mixed-Halide Perovskite.","ACS applied materials & interfaces","2017","9","51","44579","44583","10.1021/acsami.7b12862","","","0.71073","MoKα","","0.056","0.046","","0.0529","0.051","0.0529","","","","","","0.9985","","","","has coordinates","204626","2020-10-21","18:00:00",""
"4514330","26.5159","0.0007","26.5159","0.0007","16.5671","0.0006","90","","90","","120","","10087.6","0.5","100","2","100","2","","","","","","","","5","P 6/m m m","-P 6 2","191","","","","- C39 H29 Ho2 N O12 -","- C39 H29 Ho2 N O12 -","- C234 H174 Ho12 N6 O72 -","6","0.25","","Angeli, Giasemi K.; Sartsidou, Christina; Vlachaki, Styliani; Spanopoulos, Ioannis; Tsangarakis, Constantinos; Kourtellaris, Andreas; Klontzas, Emmanuel; Froudakis, George E.; Tasiopoulos, Anastasios; Trikalitis, Pantelis N.","Reticular Chemistry and the Discovery of a New Family of Rare Earth (4, 8)-Connected Metal-Organic Frameworks with csq Topology Based on RE4(μ3-O)2(COO)8 Clusters.","ACS applied materials & interfaces","2017","9","51","44560","44566","10.1021/acsami.7b16380","","","1.54184","CuKα","","0.1307","0.1161","","","0.354","0.3866","","","","","","1.492","","","","has coordinates","204627","2020-10-21","18:00:00",""
"4514331","26.4725","0.0014","26.4725","0.0014","16.6116","0.0007","90","","90","","120","","10081.7","0.9","100","2","100","2","","","","","","","","5","P 6/m m m","-P 6 2","191","","","","- C39 H29 N O12 Y2 -","- C39 H29 N O12 Y2 -","- C234 H174 N6 O72 Y12 -","6","0.25","","Angeli, Giasemi K.; Sartsidou, Christina; Vlachaki, Styliani; Spanopoulos, Ioannis; Tsangarakis, Constantinos; Kourtellaris, Andreas; Klontzas, Emmanuel; Froudakis, George E.; Tasiopoulos, Anastasios; Trikalitis, Pantelis N.","Reticular Chemistry and the Discovery of a New Family of Rare Earth (4, 8)-Connected Metal-Organic Frameworks with csq Topology Based on RE4(μ3-O)2(COO)8 Clusters.","ACS applied materials & interfaces","2017","9","51","44560","44566","10.1021/acsami.7b16380","","","1.54184","CuKα","","0.159","0.1371","","","0.3982","0.4225","","","","","","1.514","","","","has coordinates","204628","2020-10-21","18:00:00",""
"4516631","34.882","0.009","10.203","0.003","13.579","0.004","90","","112.867","0.004","90","","4453","2","296","2","296","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C15 H12 Co2 N4 O7 -","- C15 H12 Co2 N4 O7 -","- C120 H96 Co16 N32 O56 -","8","1","","Wang, Hai-Hua; Hou, Lei; Li, Yong-Zhi; Jiang, Chen-Yu; Wang, Yao-Yu; Zhu, Zhonghua","Porous MOF with Highly Efficient Selectivity and Chemical Conversion for CO<sub>2</sub>.","ACS applied materials & interfaces","2017","9","21","17969","17976","10.1021/acsami.7b03835","","","0.71073","MoKα","","0.1771","0.1348","","","0.2769","0.2957","","","","","","0.942","","","","has coordinates","239414","2020-10-21","18:00:00",""
"4516632","10.5333","0.0009","12.8234","0.0012","13.1215","0.0012","84.199","0.007","82.718","0.008","67.584","0.007","1622.5","0.3","298","2","298","2","","","","","","","","7","P -1","-P 1","2","","","","- C36 H24 Cl2 Cu12 N36 Na2 O24 -","- C36 H24 Cl2 Cu12 N36 Na2 O24 -","- C36 H24 Cl2 Cu12 N36 Na2 O24 -","1","0.5","","Guo, Ling-Yu; Su, Hai-Feng; Kurmoo, Mohamedally; Wang, Xing-Po; Zhao, Quan-Qin; Lin, Shui-Chao; Tung, Chen-Ho; Sun, Di; Zheng, Lan-Sun","Multifunctional Triple-Decker Inverse 12-Metallacrown-4 Sandwiching Halides.","ACS applied materials & interfaces","2017","9","23","19980","19987","10.1021/acsami.7b05191","","","0.71073","MoKα","","0.1213","0.0479","","","0.0794","0.1006","","","","","","0.95","","","","has coordinates","239415","2020-10-21","18:00:00",""
"4516633","10.327","0.005","13.165","0.006","13.182","0.006","89.986","0.005","81.289","0.004","68.559","0.004","1645.9","1.3","298","2","298","2","","","","","","","","7","P -1","-P 1","2","","","","- C36 H24 Br2 Cu12 N36 Na2 O24 -","- C36 H24 Br2 Cu12 N36 Na2 O24 -","- C36 H24 Br2 Cu12 N36 Na2 O24 -","1","0.5","","Guo, Ling-Yu; Su, Hai-Feng; Kurmoo, Mohamedally; Wang, Xing-Po; Zhao, Quan-Qin; Lin, Shui-Chao; Tung, Chen-Ho; Sun, Di; Zheng, Lan-Sun","Multifunctional Triple-Decker Inverse 12-Metallacrown-4 Sandwiching Halides.","ACS applied materials & interfaces","2017","9","23","19980","19987","10.1021/acsami.7b05191","","","0.71073","MoKα","","0.1025","0.0488","","","0.0989","0.118","","","","","","0.979","","","","has coordinates","239415","2020-10-21","18:00:00",""
"4516634","10.397","0.004","13.176","0.005","13.196","0.005","89.966","0.004","81.245","0.003","69.982","0.004","1676.1","1.1","298","2","298","2","","","","","","","","7","P -1","-P 1","2","","","","- C36 H24 Cu12 I2 N36 Na2 O24 -","- C36 H24 Cu12 I2 N36 Na2 O24 -","- C36 H24 Cu12 I2 N36 Na2 O24 -","1","0.5","","Guo, Ling-Yu; Su, Hai-Feng; Kurmoo, Mohamedally; Wang, Xing-Po; Zhao, Quan-Qin; Lin, Shui-Chao; Tung, Chen-Ho; Sun, Di; Zheng, Lan-Sun","Multifunctional Triple-Decker Inverse 12-Metallacrown-4 Sandwiching Halides.","ACS applied materials & interfaces","2017","9","23","19980","19987","10.1021/acsami.7b05191","","","0.71073","MoKα","","0.0757","0.0446","","","0.0998","0.1152","","","","","","0.997","","","","has coordinates","239415","2020-10-21","18:00:00",""
"4516635","10.602","0.01","12.725","0.012","13.11","0.012","83.607","0.009","81.991","0.009","67.784","0.008","1618","3","298","2","298","2","","","","","","","","7","P -1","-P 1","2","","","","- C18 H12 Cl Cu6 K N18 O12 -","- C18 H12 Cl Cu6 K N18 O12 -","- C36 H24 Cl2 Cu12 K2 N36 O24 -","2","1","","Guo, Ling-Yu; Su, Hai-Feng; Kurmoo, Mohamedally; Wang, Xing-Po; Zhao, Quan-Qin; Lin, Shui-Chao; Tung, Chen-Ho; Sun, Di; Zheng, Lan-Sun","Multifunctional Triple-Decker Inverse 12-Metallacrown-4 Sandwiching Halides.","ACS applied materials & interfaces","2017","9","23","19980","19987","10.1021/acsami.7b05191","","","0.71073","MoKα","","0.1632","0.0544","","","0.0751","0.1011","","","","","","0.934","","","","has coordinates","239415","2020-10-21","18:00:00",""
"4516636","10.2886","0.0004","13.1326","0.0004","13.1248","0.0004","89.9","0.002","68.551","0.002","81.119","0.003","1627.88","0.1","298","2","298","2","","","","","","","","7","P -1","-P 1","2","","","","- C18 H12 Br Cu6 K N18 O12 -","- C18 H12 Br Cu6 K N18 O12 -","- C36 H24 Br2 Cu12 K2 N36 O24 -","2","1","","Guo, Ling-Yu; Su, Hai-Feng; Kurmoo, Mohamedally; Wang, Xing-Po; Zhao, Quan-Qin; Lin, Shui-Chao; Tung, Chen-Ho; Sun, Di; Zheng, Lan-Sun","Multifunctional Triple-Decker Inverse 12-Metallacrown-4 Sandwiching Halides.","ACS applied materials & interfaces","2017","9","23","19980","19987","10.1021/acsami.7b05191","","","0.71073","MoKα","","0.1087","0.0462","","","0.073","0.09","","","","","","0.962","","","","has coordinates","239415","2020-10-21","18:00:00",""
"4516637","10.336","0.003","13.12","0.004","13.11","0.004","89.928","0.003","69.412","0.003","81.047","0.003","1641.3","0.9","298","2","298","2","","","","","","","","7","P -1","-P 1","2","","","","- C18 H12 Cu6 I K N18 O12 -","- C18 H12 Cu6 I K N18 O12 -","- C36 H24 Cu12 I2 K2 N36 O24 -","2","1","","Guo, Ling-Yu; Su, Hai-Feng; Kurmoo, Mohamedally; Wang, Xing-Po; Zhao, Quan-Qin; Lin, Shui-Chao; Tung, Chen-Ho; Sun, Di; Zheng, Lan-Sun","Multifunctional Triple-Decker Inverse 12-Metallacrown-4 Sandwiching Halides.","ACS applied materials & interfaces","2017","9","23","19980","19987","10.1021/acsami.7b05191","","","0.71073","MoKα","","0.0962","0.0545","","","0.1138","0.1321","","","","","","1.011","","","","has coordinates","239415","2020-10-21","18:00:00",""
"4516638","12.9723","0.0014","15.0889","0.0016","17.921","0.002","90.4389","0.0009","90.3035","0.0009","93.3656","0.0009","3501.6","0.7","100","2","100","2","","","","","","","","6","P -1","-P 1","2","","","","- C45 H64 Cu6 F N33 O27 -","- C45 H64 Cu6 F N33 O27 -","- C90 H128 Cu12 F2 N66 O54 -","2","1","","Guo, Ling-Yu; Su, Hai-Feng; Kurmoo, Mohamedally; Wang, Xing-Po; Zhao, Quan-Qin; Lin, Shui-Chao; Tung, Chen-Ho; Sun, Di; Zheng, Lan-Sun","Multifunctional Triple-Decker Inverse 12-Metallacrown-4 Sandwiching Halides.","ACS applied materials & interfaces","2017","9","23","19980","19987","10.1021/acsami.7b05191","","","0.71073","MoKα","","0.0508","0.0328","","","0.0739","0.0824","","","","","","0.985","","","","has coordinates,has disorder","239415","2020-10-21","18:00:00",""
"4516639","13.112","0.0004","13.4058","0.0004","16.2914","0.0005","90","","101.021","0.0015","90","","2810.84","0.15","296","2","296","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C36 H34 B N -","- C36 H34 B N -","- C144 H136 B4 N4 -","4","1","","Lee, Young Hoon; Park, Sunghee; Oh, Jihun; Shin, Jong Won; Jung, Jaehoon; Yoo, Seunghyup; Lee, Min Hyung","Rigidity-Induced Delayed Fluorescence by Ortho Donor-Appended Triarylboron Compounds: Record-High Efficiency in Pure Blue Fluorescent Organic Light-Emitting Diodes.","ACS applied materials & interfaces","2017","9","28","24035","24042","10.1021/acsami.7b05615","","","0.71073","MoKα","","0.0626","0.0478","","","0.122","0.1353","","","","","","1.03","","","","has coordinates","239416","2020-10-21","18:00:00",""
"4516640","15.361","0.003","12.176","0.002","14.9","0.003","90","","90.95","0.03","90","","2786.4","0.9","100","2","100","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C36 H34 B N O -","- C36 H34 B N O -","- C144 H136 B4 N4 O4 -","4","1","","Lee, Young Hoon; Park, Sunghee; Oh, Jihun; Shin, Jong Won; Jung, Jaehoon; Yoo, Seunghyup; Lee, Min Hyung","Rigidity-Induced Delayed Fluorescence by Ortho Donor-Appended Triarylboron Compounds: Record-High Efficiency in Pure Blue Fluorescent Organic Light-Emitting Diodes.","ACS applied materials & interfaces","2017","9","28","24035","24042","10.1021/acsami.7b05615","","","0.63","Synchrotron","","0.0649","0.0469","","","0.1277","0.1391","","","","","","1.058","","","","has coordinates","239417","2020-10-21","18:00:00",""
"4516641","8.346","0.0017","18.245","0.004","17.714","0.004","90","","93.04","0.03","90","","2693.6","1","100","2","100","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C36 H34 B N -","- C36 H34 B N -","- C144 H136 B4 N4 -","4","1","","Lee, Young Hoon; Park, Sunghee; Oh, Jihun; Shin, Jong Won; Jung, Jaehoon; Yoo, Seunghyup; Lee, Min Hyung","Rigidity-Induced Delayed Fluorescence by Ortho Donor-Appended Triarylboron Compounds: Record-High Efficiency in Pure Blue Fluorescent Organic Light-Emitting Diodes.","ACS applied materials & interfaces","2017","9","28","24035","24042","10.1021/acsami.7b05615","","","0.63","Synchrotron","","0.0621","0.0486","","","0.1381","0.1508","","","","","","1.075","","","","has coordinates","239418","2020-10-21","18:00:00",""
"4516642","7.988","0.004","9.978","0.005","11.035","0.005","104.884","0.007","98.534","0.007","103.807","0.007","804.6","0.7","296","2","296","2","","","","","","","","5","P -1","-P 1","2","","","","- C26 H18 Co4 N20 O10 -","- C26 H18 Co4 N20 O10 -","- C26 H18 Co4 N20 O10 -","1","0.5","","Gong, Teng; Lou, Xiaobing; Gao, En-Qing; Hu, Bingwen","Pillared-Layer Metal-Organic Frameworks for Improved Lithium-Ion Storage Performance.","ACS applied materials & interfaces","2017","9","26","21839","21847","10.1021/acsami.7b05889","","","0.71073","MoKα","","0.0589","0.0443","","","0.1369","0.1955","","","","","","0.977","","","","has coordinates","239419","2020-10-21","18:00:00",""
"4516643","5.6365","0.0019","7.316","0.002","54.623","0.018","90","","90","","90","","2252.5","1.2","296","2","296","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C22 H36 N2 O6 -","- C22 H36 N2 O6 -","- C88 H144 N8 O24 -","4","1","","Nuthanakanti, Ashok; Srivatsan, Seergazhi G.","Surface-Tuned and Metal-Ion-Responsive Supramolecular Gels Based on Nucleolipids.","ACS applied materials & interfaces","2017","9","27","22864","22874","10.1021/acsami.7b06037","","","0.71073","MoKα","","0.0414","0.0351","","","0.0938","0.1018","","","","","","0.702","","","","has coordinates","239420","2020-10-21","18:00:00",""
"4516644","5.5928","0.0008","7.2712","0.0011","63.511","0.009","90","","90","","90","","2582.8","0.7","98","2","98","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C26 H44 N2 O6 -","- C26 H44 N2 O6 -","- C104 H176 N8 O24 -","4","1","","Nuthanakanti, Ashok; Srivatsan, Seergazhi G.","Surface-Tuned and Metal-Ion-Responsive Supramolecular Gels Based on Nucleolipids.","ACS applied materials & interfaces","2017","9","27","22864","22874","10.1021/acsami.7b06037","","","0.71073","MoKα","","0.0826","0.0519","","","0.1245","0.1503","","","","","","0.923","","","","has coordinates","239421","2020-10-21","18:00:00",""
"4516645","5.6059","0.0002","7.3036","0.0003","59.161","0.002","90","","90","","90","","2422.24","0.16","100","2","100","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C24 H40 N2 O6 -","- C24 H40 N2 O6 -","- C96 H160 N8 O24 -","4","1","","Nuthanakanti, Ashok; Srivatsan, Seergazhi G.","Surface-Tuned and Metal-Ion-Responsive Supramolecular Gels Based on Nucleolipids.","ACS applied materials & interfaces","2017","9","27","22864","22874","10.1021/acsami.7b06037","","","1.54178","CuKα","","0.1028","0.0872","","","0.2235","0.2306","","","","","","1.481","","","","has coordinates","239422","2020-10-21","18:00:00",""
"4516646","22.3712","0.0002","22.3712","0.0002","95.1715","0.0016","90","","90","","120","","41249.3","0.9","386","2","386","2","","","","","","","","5","R -3 :H","-R 3","148","","","","- C45 H28 N10 Ni3 O18 -","- C45 H28 N10 Ni3 O18 -","- C810 H504 N180 Ni54 O324 -","18","1","","Yu, Mei-Hui; Zhang, Ping; Feng, Rui; Yao, Zhao-Quan; Yu, Yi-Chen; Hu, Tong-Liang; Bu, Xian-He","Construction of a Multi-Cage-Based MOF with a Unique Network for Efficient CO<sub>2</sub> Capture.","ACS applied materials & interfaces","2017","9","31","26177","26183","10.1021/acsami.7b06491","","","0.71073","MoKα","","0.0568","0.048","","","0.1364","0.1433","","","","","","1.079","","","","has coordinates","239423","2020-10-21","18:00:00",""
"4516647","13.7841","0.0003","13.7841","0.0003","9.2424","0.0003","90","","90","","120","","1520.8","0.07","120","2","120","2","","","","","","","","6","P -3 1 m","-P 3 2","162","","","","- C54 H24 Br6 Fe2 N6 O26 -","- C54 H24 Br6 Fe2 N6 O26 -","- C54 H24 Br6 Fe2 N6 O26 -","1","0.0833333","","Benmansour, Samia; Abhervé, Alexandre; Gómez-Claramunt, Patricia; Vallés-García, Cristina; Gómez-García, Carlos J","Nanosheets of Two-Dimensional Magnetic and Conducting Fe(II)/Fe(III) Mixed-Valence Metal-Organic Frameworks.","ACS applied materials & interfaces","2017","9","31","26210","26218","10.1021/acsami.7b08322","","","0.71073","MoKα","","0.0555","0.0481","","","0.1378","0.1433","","","","","","1.071","","","","has coordinates,has disorder","239424","2020-10-21","18:00:00",""
"4516648","13.6909","0.0003","13.6909","0.0003","9.1968","0.0003","90","","90","","120","","1492.9","0.07","120","2","120","2","","","","","","","","6","P -3 1 m","-P 3 2","162","","","","- C54 H24 Cl6 Fe2 N6 O26 -","- C54 H24 Cl6 Fe2 N6 O26 -","- C54 H24 Cl6 Fe2 N6 O26 -","1","0.0833333","","Benmansour, Samia; Abhervé, Alexandre; Gómez-Claramunt, Patricia; Vallés-García, Cristina; Gómez-García, Carlos J","Nanosheets of Two-Dimensional Magnetic and Conducting Fe(II)/Fe(III) Mixed-Valence Metal-Organic Frameworks.","ACS applied materials & interfaces","2017","9","31","26210","26218","10.1021/acsami.7b08322","","","0.71073","MoKα","","0.0497","0.0381","","","0.1034","0.1107","","","","","","1.093","","","","has coordinates","239425","2020-10-21","18:00:00",""
"4516649","15.255","0.004","15.812","0.007","16.019","0.011","61.29","0.06","71.61","0.04","83","0.03","3214","3","100","2","99.97","0.12","","","","","","","","5","P -1","-P 1","2","","2,4,6-Tris(4-dihydroxyborylphenyl)-1,3,5-triazine","","- C27 H30 B3 N3 O9 -","- C27 H30 B3 N3 O9 -","- C108 H120 B12 N12 O36 -","4","2","","Gontarczyk, Krzysztof; Bury, Wojciech; Serwatowski, Janusz; Wieciński, Piotr; Woźniak, Krzysztof; Durka, Krzysztof; Luliński, Sergiusz","Hybrid Triazine-Boron Two-Dimensional Covalent Organic Frameworks: Synthesis, Characterization, and DFT Approach to Layer Interaction Energies.","ACS applied materials & interfaces","2017","9","36","31129","31141","10.1021/acsami.7b09061","","x-ray","1.54184","CuKα","","0.4385","0.2814","","","0.5621","0.6496","","","","","","1.361","","","","has coordinates","264242","2021-04-16","08:52:18",""
"4516650","28.825","0.006","11.472","0.002","18.905","0.004","90","","106.62","0.03","90","","5990","2","293","2","293","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C42 H33 In3 N0 O20 P2 -","- C42 H33 In3 O20 P2 -","- C168 H132 In12 O80 P8 -","4","0.5","","Du, Xi; Fan, Ruiqing; Qiang, Liangsheng; Xing, Kai; Ye, Haoxin; Ran, Xinya; Song, Yang; Wang, Ping; Yang, Yulin","Controlled Zn<sup>2+</sup>-Triggered Drug Release by Preferred Coordination of Open Active Sites within Functionalization Indium Metal Organic Frameworks.","ACS applied materials & interfaces","2017","9","34","28939","28948","10.1021/acsami.7b09227","","","0.71073","MoKα","","0.0647","0.0526","","","0.1798","0.1944","","","","","","1.072","","","","has coordinates","239427","2020-10-21","18:00:00",""
"4516651","14.1755","0.0008","14.1755","0.0008","9.5058","0.0011","90","","90","","120","","1654.2","0.2","296","2","296","2","","","","","","","","6","R 3 :H","R 3","146","","","","- C21 H12 In N0 O7 P -","- C21 H12 In O7 P -","- C63 H36 In3 O21 P3 -","3","0.333333","","Du, Xi; Fan, Ruiqing; Qiang, Liangsheng; Xing, Kai; Ye, Haoxin; Ran, Xinya; Song, Yang; Wang, Ping; Yang, Yulin","Controlled Zn<sup>2+</sup>-Triggered Drug Release by Preferred Coordination of Open Active Sites within Functionalization Indium Metal Organic Frameworks.","ACS applied materials & interfaces","2017","9","34","28939","28948","10.1021/acsami.7b09227","","","0.71073","MoKα","","0.0199","0.0199","","","0.0428","0.0428","","","","","","1.004","","","","has coordinates","239428","2020-10-21","18:00:00",""
"4516652","16.039","0.007","13.034","0.006","42.157","0.018","90","","100.927","0.014","90","","8653","7","296","2","296","2","","","","","","","","5","I 1 2/a 1","-I 2ya","15","","","","- C52 H36 Cd5 N8 O28 -","- C52 H36 Cd5 N8 O28 -","- C208 H144 Cd20 N32 O112 -","4","0.5","","Hong, Xu-Jia; Wei, Qin; Cai, Yue-Peng; Wu, Bing-Bing; Feng, Hai-Xing; Yu, Ying; Dong, Ren-Feng","Pillar-Layered Metal-Organic Framework with Sieving Effect and Pore Space Partition for Effective Separation of Mixed Gas C<sub>2</sub>H<sub>2</sub>/C<sub>2</sub>H<sub>4</sub>.","ACS applied materials & interfaces","2017","9","34","29374","29379","10.1021/acsami.7b10420","","","0.71073","MoKα","","0.153","0.0895","","","0.2322","0.2603","","","","","","0.935","","","","has coordinates","239429","2020-10-21","18:00:00",""
"4516726","8.4814","0.0004","13.8492","0.0007","19.5575","0.001","86.4189","0.0015","81.6947","0.0013","73.8739","0.0014","2183.1","0.19","93","0.2","93","0.2","","","","","","","","4","P -1","-P 1","2","","","","- C28 H21 N3 O3 -","- C28 H21 N3 O3 -","- C112 H84 N12 O12 -","4","2","","Yamamoto, Yoshihiko; Nishimura, Kei-ichiro; Shibuya, Masatoshi","Ruthenium-Catalyzed Cycloisomerization of 1,6-Diynes with Styryl Terminals Leading to Indenylidene Cycloalkanes","ACS Catalysis","2017","7","2","1101","","10.1021/acscatal.6b03322","","","0.71073","MoKα","","0.0582","0.0519","","","0.1334","0.1381","","","","","","1.03","","","","has coordinates","239488","2020-10-21","18:00:00",""
"4516727","6.1366","0.0002","11.2261","0.0004","11.6894","0.0004","67.3845","0.001","81.2585","0.001","88.6059","0.0011","734.21","0.04","100","2","100","2","","","","","","","","3","P 1","P 1","1","","","","- C33 H40 O7 -","- C33 H40 O7 -","- C33 H40 O7 -","1","1","","Eisink, Niek N. H. M.; Witte, Martin D.; Minnaard, Adriaan J.","Regioselective Carbohydrate Oxidations: A Nuclear Magnetic Resonance (NMR) Study on Selectivity, Rate, and Side-Product Formation.","ACS catalysis","2017","7","2","1438","1445","10.1021/acscatal.6b03459","","","0.71073","MoKα","","0.0346","0.0331","","","0.082","0.0831","","","","","","1.068","","","","has coordinates","239489","2020-10-21","18:00:00",""
"4516728","6.915","0.0008","12.31","0.0007","14.954","0.002","82.822","0.008","83.631","0.01","85.687","0.007","1252.7","0.2","198","","198","","","","","","","","see text","7","P -1","-P 1","2","","","","- C17 H18 Cl3 F6 N8 P Pd -","- C17 H18 Cl3 F6 N8 P Pd -","- C34 H36 Cl6 F12 N16 P2 Pd2 -","2","1","","Schroeter, Felix; Soellner, Johannes; Strassner, Thomas","Cross-Coupling Catalysis by an Anionic Palladium Complex","ACS Catalysis","2017","7","4","3004","","10.1021/acscatal.6b03655","","x-ray","0.71073","MoKα","","0.0517","0.0339","","","0.0534","0.0566","","","","","","1.138","","","","has coordinates,has disorder","239490","2020-10-21","18:00:00",""
"4516729","9.133","0.004","21.693","0.002","12.682","0.005","90","","90","","90","","2512.6","1.5","198","","198","","","","","","","","see text","7","P n a 21","P 2c -2n","33","","","","- C18 H42 Cl3 N O Pd S -","- C18 H42 Cl3 N O Pd S -","- C72 H168 Cl12 N4 O4 Pd4 S4 -","4","1","","Schroeter, Felix; Soellner, Johannes; Strassner, Thomas","Cross-Coupling Catalysis by an Anionic Palladium Complex","ACS Catalysis","2017","7","4","3004","","10.1021/acscatal.6b03655","","x-ray","0.71073","MoKα","","0.0583","0.0366","","","0.0501","0.0535","","","","","","1.121","","","","has coordinates","239491","2020-10-21","18:00:00",""
"4516730","13.08003","0.00013","23.3536","0.0003","26.5956","0.0003","90","","90","","90","","8124.05","0.16","123.01","0.1","123.01","0.1","","","","","","","","6","C 2 2 21","C 2c 2","20","","","","- C38.5 H40 F9 N6.5 O2.5 S -","- C38.5 H40 F9 N6.5 O2.5 S -","- C308 H320 F72 N52 O20 S8 -","8","1","","Neuvonen, Antti J.; Földes, Tamás; Madarász, Ádám; Pápai, Imre; Pihko, Petri M.","Organocatalysts Fold To Generate an Active Site Pocket for the Mannich Reaction","ACS Catalysis","2017","7","5","3284","","10.1021/acscatal.7b00336","","x-ray","1.54184","CuKα","","0.0396","0.0384","","","0.106","0.1074","","","","","","1.058","","","","has coordinates,has disorder","239492","2020-10-21","18:00:00",""
"4516731","12.6954","0.0014","5.5859","0.0006","22.534","0.002","90","","102.103","0.003","90","","1562.5","0.3","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C15 H19 N O4 S -","- C15 H19 N O4 S -","- C60 H76 N4 O16 S4 -","4","1","","Cao, Tao; Yang, Zheng; Ma, Shengming","Selectivities in Nickel-Catalyzed Hydrocarboxylation of Enynes with Carbon Dioxide","ACS Catalysis","2017","7","7","4504","","10.1021/acscatal.7b00556","","","0.71073","MoKα","","0.0839","0.0647","","","0.1737","0.1887","","","","","","1.046","","","","has coordinates","239493","2020-10-21","18:00:00",""
"4516732","9.0731","0.0006","10.4974","0.0008","12.7753","0.001","98.387","0.003","102.017","0.003","101.29","0.003","1144.77","0.15","100","2","100","2","","","","","","","","6","P -1","-P 1","2","","","","- C23.5 H20 Cl2 N5 O2 Ru -","- C23.5 H20 Cl2 N5 O2 Ru -","- C47 H40 Cl4 N10 O4 Ru2 -","2","1","","Ono, Takashi; Qu, Shuanglin; Gimbert-Suriñach, Carolina; Johnson, Michelle A.; Marell, Daniel J.; Benet-Buchholz, Jordi; Cramer, Christopher J.; Llobet, Antoni","Hydrogenative Carbon Dioxide Reduction Catalyzed by Mononuclear Ruthenium Polypyridyl Complexes: Discerning between Electronic and Steric Effects","ACS Catalysis","2017","7","9","5932","","10.1021/acscatal.7b00603","","","0.71073","MoKα","","0.0608","0.0576","","","0.1541","0.1589","","","","","","1.03","","","","has coordinates,has disorder","239494","2020-10-21","18:00:00",""
"4516733","10.3114","0.0015","14.828","0.002","18.855","0.003","90","","92.38","0.005","90","","2880.4","0.7","100","2","100","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C31 H26 Cl3 N7 Ru -","- C31 H26 Cl3 N7 Ru -","- C124 H104 Cl12 N28 Ru4 -","4","1","","Ono, Takashi; Qu, Shuanglin; Gimbert-Suriñach, Carolina; Johnson, Michelle A.; Marell, Daniel J.; Benet-Buchholz, Jordi; Cramer, Christopher J.; Llobet, Antoni","Hydrogenative Carbon Dioxide Reduction Catalyzed by Mononuclear Ruthenium Polypyridyl Complexes: Discerning between Electronic and Steric Effects","ACS Catalysis","2017","7","9","5932","","10.1021/acscatal.7b00603","","","0.71073","MoKα","","0.0315","0.0272","","","0.0636","0.0661","","","","","","1.037","","","","has coordinates","239494","2020-10-21","18:00:00",""
"4516734","5.3524","0.0011","9.849","0.002","16.789","0.003","91.22","0.03","96.68","0.03","91.44","0.03","878.5","0.3","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C20 H20 N2 O2 S -","- C20 H20 N2 O2 S -","- C40 H40 N4 O4 S2 -","2","1","","Li, Long; Chen, Xiu-Mei; Wang, Ze-Shu; Zhou, Bo; Liu, Xin; Lu, Xin; Ye, Long-Wu","Reversal of Regioselectivity in Catalytic Arene-Ynamide Cyclization: Direct Synthesis of Valuable Azepino[4,5-b]indoles and β-Carbolines and DFT Calculations","ACS Catalysis","2017","7","6","4004","","10.1021/acscatal.7b01038","","","0.71073","MoKα","","0.118","0.0844","","","0.2318","0.3499","","","","","","1.453","","","","has coordinates","239495","2020-10-21","18:00:00",""
"4516735","9.6188","0.0003","16.8151","0.0005","11.4121","0.0003","90","","92.913","0.003","90","","1843.42","0.09","173.01","0.1","173.15","","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C21 H24 N2 O2 S -","- C21 H24 N2 O2 S -","- C84 H96 N8 O8 S4 -","4","2","","Li, Long; Chen, Xiu-Mei; Wang, Ze-Shu; Zhou, Bo; Liu, Xin; Lu, Xin; Ye, Long-Wu","Reversal of Regioselectivity in Catalytic Arene-Ynamide Cyclization: Direct Synthesis of Valuable Azepino[4,5-b]indoles and β-Carbolines and DFT Calculations","ACS Catalysis","2017","7","6","4004","","10.1021/acscatal.7b01038","","","0.71","MoKα","","0.081","0.0778","","","0.211","0.2152","","","","","","1.116","","","","has coordinates","239496","2020-10-21","18:00:00",""
"4516736","10.8798","0.0005","11.5927","0.0005","14.6647","0.0006","84.709","0.002","78.676","0.002","86.719","0.002","1804.42","0.14","100","2","100","2","","","","","","","","7","P -1","-P 1","2","","","","- C31 H62 B Co N O2 P3 -","- C31 H62 B Co N O2 P3 -","- C62 H124 B2 Co2 N2 O4 P6 -","2","1","","Obligacion, Jennifer V.; Chirik, Paul J.","Mechanistic Studies of Cobalt-Catalyzed C(sp<sup>2</sup>)-H Borylation of Five-Membered Heteroarenes with Pinacolborane.","ACS catalysis","2017","7","7","4366","4371","10.1021/acscatal.7b01151","","","1.54178","CuKα","","0.0352","0.0316","","","0.0826","0.0914","","","","","","1.121","","","","has coordinates,has disorder","239497","2020-10-21","18:00:00",""
"4516737","13.029","0.005","31.24","0.011","9.883","0.002","90","","90","","90","","4023","2","103","2","103","2","","","","","","","","5","P n a 21","P 2c -2n","33","","","","- C42 H53 B2 N O8 -","- C42 H53 B2 N O8 -","- C168 H212 B8 N4 O32 -","4","1","","Chong, Che Chang; Rao, Bin; Kinjo, Rei","Metal-Free Catalytic Reduction of α,β-Unsaturated Esters by 1,3,2-Diazaphospholene and Subsequent C‒C Coupling with Nitriles","ACS Catalysis","2017","7","9","5814","","10.1021/acscatal.7b01338","","","0.71073","MoKα","","0.0987","0.0623","","","0.1267","0.1443","","","","","","1.022","","","","has coordinates","239498","2020-10-21","18:00:00",""
"4516738","5.9683","0.0001","11.8288","0.0003","12.2029","0.0003","94.8482","0.0009","101.631","0.0009","100.091","0.0009","824.32","0.03","100","2","100","2","","","","","","","","3","P -1","-P 1","2","","","","- C18 H22 O6 -","- C18 H22 O6 -","- C36 H44 O12 -","2","1","","Chong, Che Chang; Rao, Bin; Kinjo, Rei","Metal-Free Catalytic Reduction of α,β-Unsaturated Esters by 1,3,2-Diazaphospholene and Subsequent C‒C Coupling with Nitriles","ACS Catalysis","2017","7","9","5814","","10.1021/acscatal.7b01338","","","0.71073","MoKα","","0.0734","0.048","","","0.0999","0.1137","","","","","","1.058","","","","has coordinates","239499","2020-10-21","18:00:00",""
"4516739","10.0889","0.0005","10.4012","0.0005","10.9505","0.0006","114.987","0.003","111.721","0.002","93.719","0.003","933.62","0.09","140","","140","","","","","","","","","7","P -1","-P 1","2","","[(dmpbz)2Co(CH3CN)2][BF4]2,(CH3CN)2","","- C28 H44 B2 Co F8 N4 P4 -","- C28 H44 B2 Co F8 N4 P4 -","- C28 H44 B2 Co F8 N4 P4 -","1","0.5","","Jeletic, Matthew S.; Hulley, Elliott B.; Helm, Monte L.; Mock, Michael T.; Appel, Aaron M.; Wiedner, Eric S.; Linehan, John C.","Understanding the Relationship Between Kinetics and Thermodynamics in CO2 Hydrogenation Catalysis","ACS Catalysis","2017","7","9","6008","","10.1021/acscatal.7b01673","","","0.71073","MoKα","","0.0458","0.0333","","","0.08","0.086","","","","","","1.05","","","","has coordinates","239500","2020-10-21","18:00:00",""
"4516740","15.0848","0.0006","20.0234","0.0007","32.3058","0.0014","90","","91.503","0.002","90","","9754.6","0.7","164","","164","","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C22 H51 B2 Co F8 N P4 -","- C22 H51 B2 Co F8 N P4 -","- C264 H612 B24 Co12 F96 N12 P48 -","12","3","","Jeletic, Matthew S.; Hulley, Elliott B.; Helm, Monte L.; Mock, Michael T.; Appel, Aaron M.; Wiedner, Eric S.; Linehan, John C.","Understanding the Relationship Between Kinetics and Thermodynamics in CO2 Hydrogenation Catalysis","ACS Catalysis","2017","7","9","6008","","10.1021/acscatal.7b01673","","","0.71073","MoKα","","0.0893","0.0603","","","0.1555","0.1747","","","","","","1.04","","","","has coordinates","239500","2020-10-21","18:00:00",""
"4516741","15.7643","0.0005","16.3813","0.0005","8.9459","0.0002","90","","90","","90","","2310.19","0.11","140","","140","","","","","","","","","4","A e a 2","A 2 -2ab","41","","CoH(dmpbz)","","- C20 H32 Co P4 -","- C20 H32 Co P4 -","- C80 H128 Co4 P16 -","4","0.5","","Jeletic, Matthew S.; Hulley, Elliott B.; Helm, Monte L.; Mock, Michael T.; Appel, Aaron M.; Wiedner, Eric S.; Linehan, John C.","Understanding the Relationship Between Kinetics and Thermodynamics in CO2 Hydrogenation Catalysis","ACS Catalysis","2017","7","9","6008","","10.1021/acscatal.7b01673","","","0.71073","MoKα","","0.0451","0.0321","","","0.0655","0.07","","","","","","1.023","","","","has coordinates,has disorder","239500","2020-10-21","18:00:00",""
"4516781","8.2491","0.0002","10.4883","0.0002","11.6077","0.0003","82.052","0.001","77.374","0.002","88.501","0.001","970.58","0.04","100","","100","","","","","","","","","5","P 1","P 1","1","","","","- C38 H33 Cl4 N3 O13 -","- C38 H33 Cl4 N3 O13 -","- C38 H33 Cl4 N3 O13 -","1","1","","Chu, Hang; Smith, Joel M.; Felding, Jakob; Baran, Phil S.","Scalable Synthesis of (-)-Thapsigargin.","ACS central science","2017","3","1","47","51","10.1021/acscentsci.6b00313","","x-ray","1.54178","CuKα","","0.0427","0.0425","","","0.1295","0.1299","","","","","","1.205","","","","has coordinates","239533","2020-10-21","18:00:00",""
"4516782","18.9642","0.0008","11.2161","0.0004","13.5628","0.0005","90","","90","","90","","2884.87","0.19","100","","100","","","","","","","","","4","P 21 21 2","P 2 2ab","18","CX-10-036","CX-10-036","","- C25 H33 N O8 -","- C25 H33 N O8 -","- C100 H132 N4 O32 -","4","1","","Xu, Chen; Han, Arthur; Virgil, Scott C.; Reisman, Sarah E.","Chemical Synthesis of (+)-Ryanodine and (+)-20-Deoxyspiganthine.","ACS central science","2017","3","4","278","282","10.1021/acscentsci.6b00361","","","1.54178","CuKα","","0.0824","0.0563","","","0.1375","0.1501","","","","","","1.055","","","","has coordinates","239534","2020-10-21","18:00:00",""
"4516783","8.7826","0.0004","22.1496","0.001","10.3099","0.0005","90","","109.928","0.002","90","","1885.5","0.15","100","","100","","","","","","","","","5","P 1 21 1","P 2yb","4","CX-10-028","CX-10-028","","- C42 H48 B N O10 -","- C42 H48 B N O10 -","- C84 H96 B2 N2 O20 -","2","1","","Xu, Chen; Han, Arthur; Virgil, Scott C.; Reisman, Sarah E.","Chemical Synthesis of (+)-Ryanodine and (+)-20-Deoxyspiganthine.","ACS central science","2017","3","4","278","282","10.1021/acscentsci.6b00361","","","1.54178","CuKα","","0.0338","0.0311","","","0.0732","0.0747","","","","","","1.047","","","","has coordinates","239535","2020-10-21","18:00:00",""
"4516784","10.9374","0.0003","11.9604","0.0003","27.4814","0.0007","90","","90","","90","","3595","0.16","200","","200","","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","CX-10-076","CX-10-076","","- C33 H57 N O12 -","- C33 H57 N O12 -","- C132 H228 N4 O48 -","4","1","","Xu, Chen; Han, Arthur; Virgil, Scott C.; Reisman, Sarah E.","Chemical Synthesis of (+)-Ryanodine and (+)-20-Deoxyspiganthine.","ACS central science","2017","3","4","278","282","10.1021/acscentsci.6b00361","","","1.54178","CuKα","","0.0411","0.0389","","","0.1064","0.1083","","","","","","1.045","","","","has coordinates","239536","2020-10-21","18:00:00",""
"4516785","20.8804","0.0007","20.8804","0.0007","11.5639","0.0005","90","","90","","120","","4366.3","0.3","100","","100","","","","","","","","","4","P 32","P 32","145","6-AH-235","6-AH-235","","- C58 H90.76 N2 O18.38 -","- C58 H90.764 N2 O18.382 -","- C174 H272.292 N6 O55.146 -","3","1","","Xu, Chen; Han, Arthur; Virgil, Scott C.; Reisman, Sarah E.","Chemical Synthesis of (+)-Ryanodine and (+)-20-Deoxyspiganthine.","ACS central science","2017","3","4","278","282","10.1021/acscentsci.6b00361","","","1.54178","CuKα","","0.0537","0.0448","","","0.1071","0.113","","","","","","1.023","","","","has coordinates","239537","2020-10-21","18:00:00",""
"4516786","3.8199","0.0017","19.117","0.009","25.488","0.012","90","","90","","90","","1861.3","1.5","123","2","123","2","","","","","","","","4","P c c n","-P 2ab 2ac","56","","","","- C27 H15 N3 O3 -","- C27 H15 N3 O3 -","- C108 H60 N12 O12 -","4","0.5","","Mamada, Masashi; Inada, Ko; Komino, Takeshi; Potscavage, Jr, William J; Nakanotani, Hajime; Adachi, Chihaya","Highly Efficient Thermally Activated Delayed Fluorescence from an Excited-State Intramolecular Proton Transfer System.","ACS central science","2017","3","7","769","777","10.1021/acscentsci.7b00183","","","0.71075","MoKα","","0.1495","0.1323","","","0.2638","0.2726","","","","","","1.335","","","","has coordinates,has disorder","239538","2020-10-21","18:00:00",""
"4516787","12.6909","0.0005","16.3914","0.001","20.9924","0.0009","81.335","0.004","76.622","0.004","80.613","0.004","4162.4","0.4","150","2","150","2","","","","","","","","6","P -1","-P 1","2","Tris(3,4,7,8-tetramethyl-1,10-phenanthroline)nickel(II) ditetraphenylborate","'Tris(3,4,7,8-tetramethyl-1,10-phenanthroline)nickel(II) ditetraphenylborate'","","- C102 H100 B2 N6 Ni O2 -","- C102 H100 B2 N6 Ni O2 -","- C204 H200 B4 N12 Ni2 O4 -","2","1","","Bunescu, Ala; Lee, Sunwoo; Li, Qian; Hartwig, John F.","Catalytic Hydroxylation of Polyethylenes.","ACS central science","2017","3","8","895","903","10.1021/acscentsci.7b00255","","","0.71073","MoKα","","0.1297","0.072","","","0.1068","0.1305","","","","","","0.954","","","","has coordinates","239539","2020-10-21","18:00:00",""
"4516788","25.102","0.002","6.0323","0.0006","28.707","0.003","90","","111.423","0.005","90","","4046.6","0.7","100","2","100","","","","","","","","","3","C 1 2/c 1","-C 2yc","15","","","","- C22 H26 O8 -","- C22 H26 O8 -","- C176 H208 O64 -","8","1","","Roach, Jeremy J.; Sasano, Yusuke; Schmid, Cullen L.; Zaidi, Saheem; Katritch, Vsevolod; Stevens, Raymond C.; Bohn, Laura M.; Shenvi, Ryan A.","Dynamic Strategic Bond Analysis Yields a Ten-Step Synthesis of 20-nor-Salvinorin A, a Potent κ-OR Agonist.","ACS central science","2017","3","12","1329","1336","10.1021/acscentsci.7b00488","","x-ray","0.71073","MoKα","K-L~3~","0.0966","0.0592","","","0.1322","0.1539","","","","","","1.014","","","","has coordinates","239540","2020-10-21","18:00:00",""
"4516789","15.183","0.0005","6.01","0.0002","36.8552","0.0013","90","","95.228","0.002","90","","3349","0.2","100","2","100","","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","","","- C16 H22 O5 -","- C16 H22 O5 -","- C128 H176 O40 -","8","2","","Roach, Jeremy J.; Sasano, Yusuke; Schmid, Cullen L.; Zaidi, Saheem; Katritch, Vsevolod; Stevens, Raymond C.; Bohn, Laura M.; Shenvi, Ryan A.","Dynamic Strategic Bond Analysis Yields a Ten-Step Synthesis of 20-nor-Salvinorin A, a Potent κ-OR Agonist.","ACS central science","2017","3","12","1329","1336","10.1021/acscentsci.7b00488","","x-ray","0.71073","MoKα","K-L~3~","0.0772","0.0544","","","0.1105","0.1197","","","","","","1.039","","","","has coordinates","239541","2020-10-21","18:00:00",""
"4516795","14.612","0.003","31.468","0.006","12.38","0.003","90","","90.29","0.03","90","","5692","2","298","2","298","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C34 H34 N2 O4 -","- C34 H34 N2 O4 -","- C272 H272 N16 O32 -","8","2","","Asadi, Beheshteh; Landarani-Isfahani, Amir; Mohammadpoor-Baltork, Iraj; Tangestaninejad, Shahram; Moghadam, Majid; Mirkhani, Valiollah; Amiri Rudbari, Hadi","Diastereoselective Synthesis of Symmetrical and Unsymmetrical Tetrahydropyridines Catalyzed by Bi(III) Immobilized on Triazine Dendrimer Stabilized Magnetic Nanoparticles.","ACS combinatorial science","2017","19","6","356","364","10.1021/acscombsci.6b00180","","","0.71073","MoKα","","0.1688","0.0688","","","0.1552","0.1822","","","","","","0.829","","","","has coordinates","239543","2020-10-21","18:00:00",""
"4516796","10.4094","0.0005","11.0413","0.0005","23.4593","0.0011","90","","93.015","0.002","90","","2692.5","0.2","293","2","293","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","(Z)-5''-(2-Chlorobenzylidene)-7'-(2-chlorophenyl)-7',7a'-dihydro- 1'H,2''H,3'H-dispiro[indoline-3,5'-pyrrolo[1,2-c]thiazole-6',3''- thiophene]-2,4'' (5''H)-dione","(Z)-5''-(2-Chlorobenzylidene)-7'-(2-chlorophenyl)-7',7a'-dihydro- 1'H,2''H,3'H-dispiro[indoline-3,5'-pyrrolo[1,2-c]thiazole-6',3''- thiophene]-2,4'' (5''H)-dione","","- C29 H22 Cl2 N2 O2 S2 -","- C29 H22 Cl2 N2 O2 S2 -","- C116 H88 Cl8 N8 O8 S8 -","4","1","","Anusha Rani, Mani; Vivek Kumar, Sundaravel; Malathi, Karuppiah; Muthu, Muthumani; Almansour, Abdulrahman I.; Suresh Kumar, Raju; Ranjith Kumar, Raju","A One-Pot Multicomponent 1,3-Dipolar Cycloaddition Strategy: Combinatorial Synthesis of Dihydrothiophenone-Engrafted Dispiro Hybrid Heterocycles.","ACS combinatorial science","2017","19","5","308","314","10.1021/acscombsci.6b00186","","","0.71073","MoKα","","0.0772","0.0514","","","0.1908","0.2402","","","","","","0.967","","","","has coordinates","239544","2020-10-21","18:00:00",""
"4516797","15.978","0.002","11.3704","0.0014","19.168","0.002","90","","90","","90","","3482.4","0.7","99","2","99","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C21 H19 N3 O3 -","- C21 H19 N3 O3 -","- C168 H152 N24 O24 -","8","1","","Yao, Po-Hsin Eric; Kumar, Sunil; Liu, Yu-Li; Fang, Chiu-Ping; Liu, Chia-Chen; Sun, Chung-Ming","Diversity-Oriented Synthesis of Coumarin-Linked Benzimidazoles via a One-Pot, Three-Step, Intramolecular Knoevenagel Cyclization.","ACS combinatorial science","2017","19","4","271","275","10.1021/acscombsci.7b00004","","","0.71073","MoKα","","0.0592","0.0446","","","0.1159","0.1271","","","","","","1.021","","","","has coordinates","239545","2020-10-21","18:00:00",""
"4516805","13.2424","0.0009","23.4593","0.0018","5.5565","0.0004","90","","90","","90","","1726.2","0.2","90","0.5","90","0.5","","","","","","","","5","P 21 21 2","P 2 2ab","18","","","","- C7 H11 N O2 S -","- C7 H11 N O2 S -","- C56 H88 N8 O16 S8 -","8","2","","Cao, Jinbao; Siefker, David; Chan, Brandon A.; Yu, Tianyi; Lu, Lu; Saputra, Mirza A.; Fronczek, Frank R.; Xie, Weiwei; Zhang, Donghui","Interfacial Ring-Opening Polymerization of Amino-Acid-Derived N-Thiocarboxyanhydrides Toward Well-Defined Polypeptides","ACS Macro Letters","2017","6","8","836","","10.1021/acsmacrolett.7b00411","","","0.71073","MoKα","","0.0702","0.0449","","","0.0833","0.0911","","","","","","1.017","","","","has coordinates","239554","2020-10-21","18:00:00",""
"4516806","13.6224","0.0007","9.1977","0.0004","10.4122","0.0005","90","","93.725","0.002","90","","1301.84","0.11","90","0.5","90","0.5","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C13 H13 N O4 S -","- C13 H13 N O4 S -","- C52 H52 N4 O16 S4 -","4","1","","Cao, Jinbao; Siefker, David; Chan, Brandon A.; Yu, Tianyi; Lu, Lu; Saputra, Mirza A.; Fronczek, Frank R.; Xie, Weiwei; Zhang, Donghui","Interfacial Ring-Opening Polymerization of Amino-Acid-Derived N-Thiocarboxyanhydrides Toward Well-Defined Polypeptides","ACS Macro Letters","2017","6","8","836","","10.1021/acsmacrolett.7b00411","","","0.71073","MoKα","","0.051","0.0412","","","0.1095","0.1153","","","","","","1.119","","","","has coordinates,has disorder","239555","2020-10-21","18:00:00",""
"4516807","7.9376","0.0006","18.7907","0.001","11.1825","0.0009","90","","108.097","0.003","90","","1585.4","0.2","200","0.5","200","0.5","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C15 H18 N2 O4 S -","- C15 H18 N2 O4 S -","- C60 H72 N8 O16 S4 -","4","2","","Cao, Jinbao; Siefker, David; Chan, Brandon A.; Yu, Tianyi; Lu, Lu; Saputra, Mirza A.; Fronczek, Frank R.; Xie, Weiwei; Zhang, Donghui","Interfacial Ring-Opening Polymerization of Amino-Acid-Derived N-Thiocarboxyanhydrides Toward Well-Defined Polypeptides","ACS Macro Letters","2017","6","8","836","","10.1021/acsmacrolett.7b00411","","","0.71073","MoKα","","0.1511","0.0648","","","0.1143","0.1452","","","","","","1.004","","","","has coordinates","239556","2020-10-21","18:00:00",""
"4516808","8.8965","0.0005","8.8965","0.0005","30.3964","0.0018","90","","90","","90","","2405.8","0.2","296","2","296","2","","","","","","","","5","P 43","P 4cw","78","","","","- C26 H29 I N2 O -","- C26 H27 I N2 O -","- C104 H108 I4 N8 O4 -","4","1","","Fan, Jiantao; Wright, Andrew G.; Britton, Benjamin; Weissbach, Thomas; Skalski, Thomas J. G.; Ward, Jonathan; Peckham, Timothy J.; Holdcroft, Steven","Cationic Polyelectrolytes, Stable in 10 M KOHaq at 100 °C","ACS Macro Letters","2017","6","10","1089","","10.1021/acsmacrolett.7b00679","","","1.54178","CuKα","","0.0645","0.064","","","0.1821","0.1826","","","","","","1.15","","","","has coordinates","239557","2020-10-21","18:00:00",""
"4516813","12.6395","0.0004","32.5286","0.0011","12.7292","0.0004","90","","105.86","0.003","90","","5034.3","0.3","293","2","293","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C22 H42 O3 Si -","- C22 H42 O3 Si -","- C176 H336 O24 Si8 -","8","4","","Elliott, Daniel C.; Beutler, John A.; Parker, Kathlyn A.","Importance of a 4-Alkyl Substituent for Activity in the Englerin Series.","ACS medicinal chemistry letters","2017","8","7","746","750","10.1021/acsmedchemlett.7b00161","","","0.71073","MoKα","","0.2123","0.0963","","","0.2634","0.3353","","","","","","1.005","","","","has coordinates","255262","2020-10-21","18:00:00",""
"4516814","11.346","0.003","7.3426","0.0014","13.759","0.003","90","","107.79","0.02","90","","1091.4","0.4","293","2","293","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C60 H108 O9 Si3 -","- C40 H70 O6 Si2 -","- C40 H70 O6 Si2 -","1","0.5","","Elliott, Daniel C.; Beutler, John A.; Parker, Kathlyn A.","Importance of a 4-Alkyl Substituent for Activity in the Englerin Series.","ACS medicinal chemistry letters","2017","8","7","746","750","10.1021/acsmedchemlett.7b00161","","","1.54178","CuKα","","0.1653","0.0998","","","0.292","0.3611","","","","","","1.081","","","","has coordinates","239563","2020-10-21","18:00:00",""
"4516830","6.08329","0.00007","10.36929","0.00011","28.0962","0.0003","90","","90","","90","","1772.29","0.03","173","2","173.15","","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C21 H30 O3 -","- C21 H30 O3 -","- C84 H120 O12 -","4","1","","Zhou, Zhi-Hua; Song, Qing-Wen; He, Liang-Nian","Silver(I)-Promoted Cascade Reaction of Propargylic Alcohols, Carbon Dioxide, and Vicinal Diols: Thermodynamically Favorable Route to Cyclic Carbonates.","ACS omega","2017","2","1","337","345","10.1021/acsomega.6b00407","","x-ray","1.54184","CuKα","","0.0309","0.0305","","","0.0791","0.0792","","","","","","1.08","","","","has coordinates","239574","2020-10-21","18:00:00",""
"4516831","5.654","0.003","13.433","0.012","22.786","0.013","90","","90","","90","","1731","2","200","2","200","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C23 H15 N3 O -","- C23 H15 N3 O -","- C92 H60 N12 O4 -","4","1","","Reddy Kotla, Siva K.; Vandavasi, Jaya Kishore; Wang, Jeh-Jeng; Parang, Keykavous; Tiwari, Rakesh K.","Palladium-Catalyzed Intramolecular Cross-Dehydrogenative Coupling: Synthesis of Fused Imidazo[1,2-<i>a</i>]pyrimidines and Pyrazolo[1,5-<i>a</i>]pyrimidines.","ACS omega","2017","2","1","11","19","10.1021/acsomega.6b00417","","","0.71073","MoKα","","0.2127","0.0726","","","0.1086","0.1405","","","","","","0.987","","","","has coordinates","239575","2020-10-21","18:00:00",""
"4516832","11.8882","0.0007","9.102","0.0005","13.5891","0.0007","90","","94.43","0.03","90","","1466.03","0.15","100","2","100","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C19 H13 N3 O -","- C19 H13 N3 O -","- C76 H52 N12 O4 -","4","1","","Reddy Kotla, Siva K.; Vandavasi, Jaya Kishore; Wang, Jeh-Jeng; Parang, Keykavous; Tiwari, Rakesh K.","Palladium-Catalyzed Intramolecular Cross-Dehydrogenative Coupling: Synthesis of Fused Imidazo[1,2-<i>a</i>]pyrimidines and Pyrazolo[1,5-<i>a</i>]pyrimidines.","ACS omega","2017","2","1","11","19","10.1021/acsomega.6b00417","","","1.34139","GaKα","","0.069","0.0606","","","0.1655","0.1734","","","","","","1.08","","","","has coordinates","239576","2020-10-21","18:00:00",""
"4516833","7.581","0.002","16.404","0.004","16.285","0.005","90","","102.321","0.006","90","","1978.5","0.9","293","2","293","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","[Mn4(Hdtim)4(H2O)8]","2014/6","","- C20 H24 Mn4 N40 O8 -","- C20 H24 Mn4 N40 O8 -","- C40 H48 Mn8 N80 O16 -","2","0.5","","Xu, Jian-Gang; Wang, Shuai-Hua; Zhang, Ming-Jian; Sun, Cai; Xiao, Yu; Li, Rong; Zheng, Fa-Kun; Guo, Guo-Cong; Huang, Jin-Shun","Nitrogen-Rich Tetranuclear Metal Complex as a New Structural Motif for Energetic Materials.","ACS omega","2017","2","1","346","352","10.1021/acsomega.6b00431","","","0.71073","MoKα","","0.1437","0.0699","","","0.1248","0.148","","","","","","1.065","","","","has coordinates","239577","2020-10-21","18:00:00",""
"4516834","7.5445","0.0008","16.0615","0.0018","16.153","0.002","90","","102.219","0.002","90","","1913","0.4","293","2","293","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","[Zn4(Hdtm)4(H2O)8]","","","- C20 H24 N40 O8 Zn4 -","- C20 H24 N40 O8 Zn4 -","- C40 H48 N80 O16 Zn8 -","2","0.5","","Xu, Jian-Gang; Wang, Shuai-Hua; Zhang, Ming-Jian; Sun, Cai; Xiao, Yu; Li, Rong; Zheng, Fa-Kun; Guo, Guo-Cong; Huang, Jin-Shun","Nitrogen-Rich Tetranuclear Metal Complex as a New Structural Motif for Energetic Materials.","ACS omega","2017","2","1","346","352","10.1021/acsomega.6b00431","","","0.71073","MoKα","","0.0412","0.0367","","","0.1146","0.1278","","","","","","0.999","","","","has coordinates","239578","2020-10-21","18:00:00",""
"4516835","9.796","","18.22","","22.12","","90","","90","","90","","3948.05","","296","2","293","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C20 H14 F6 O4 -","- C20 H14 F6 O4 -","- C160 H112 F48 O32 -","8","1","","Li, Fang-Ling; Wang, Lei; Li, Cui-Hua; Liu, Ning; Dai, Bin","Substrate-Controlled Product Divergence: Silver-Catalyzed Reaction of Trifluoromethyl Ketones with Terminal Alkynes.","ACS omega","2017","2","3","1104","1115","10.1021/acsomega.6b00432","","","0.71073","MoKα","","0.0833","0.039","","","0.0992","0.1262","","","","","","0.984","","","","has coordinates","239579","2020-10-21","18:00:00",""
"4516836","13.957","","8.572","","17.061","","90","","104.7","","90","","1974.36","","293","2","293","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C20 H14 F6 O4 -","- C20 H14 F6 O4 -","- C80 H56 F24 O16 -","4","1","","Li, Fang-Ling; Wang, Lei; Li, Cui-Hua; Liu, Ning; Dai, Bin","Substrate-Controlled Product Divergence: Silver-Catalyzed Reaction of Trifluoromethyl Ketones with Terminal Alkynes.","ACS omega","2017","2","3","1104","1115","10.1021/acsomega.6b00432","","","0.71073","MoKα","","0.0643","0.0412","","","0.1085","0.1255","","","","","","1.005","","","","has coordinates","239580","2020-10-21","18:00:00",""
"4516837","17.0405","0.0003","17.0405","0.0003","28.3198","0.001","90","","90","","90","","8223.5","0.4","100","2","100","2","","","","","","","","7","I -4 c 2","I -4 -2c","120","","","","- C40 H32 B Cl2 Cr F20 O4 -","- C40 H32 B Cl2 Cr F20 O4 -","- C320 H256 B8 Cl16 Cr8 F160 O32 -","8","0.5","","Kim, Eun Ho; Lee, Hyun Mo; Jeong, Myoung Sun; Ryu, Ji Yeon; Lee, Junseong; Lee, Bun Yeoul","Methylaluminoxane-Free Chromium Catalytic System for Ethylene Tetramerization.","ACS omega","2017","2","3","765","773","10.1021/acsomega.6b00506","","","0.71073","MoKα","","0.0752","0.038","","","0.0654","0.0745","","","","","","0.988","","","","has coordinates","239581","2020-10-21","18:00:00",""
"4516838","7.0261","0.0003","28.8953","0.0011","11.939","0.0005","90","","100.211","0.002","90","","2385.48","0.17","100","2","100","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C27 H36 Cr N3 -","- C27 H36 Cr N3 -","- C108 H144 Cr4 N12 -","4","1","","Kim, Eun Ho; Lee, Hyun Mo; Jeong, Myoung Sun; Ryu, Ji Yeon; Lee, Junseong; Lee, Bun Yeoul","Methylaluminoxane-Free Chromium Catalytic System for Ethylene Tetramerization.","ACS omega","2017","2","3","765","773","10.1021/acsomega.6b00506","","","0.71073","MoKα","","0.0348","0.0312","","","0.0923","0.095","","","","","","1.02","","","","has coordinates","239582","2020-10-21","18:00:00",""
"4516839","20.9402","0.0014","17.88","0.0012","17.0227","0.0012","90","","113.683","0.004","90","","5836.7","0.7","100","2","100","2","","","","","","","","9","P 1 21/c 1","-P 2ybc","14","","","","- C59 H43 B Cl2 Cr F20 N O2 P2 -","- C59 H43 B Cl2 Cr F20 N O2 P2 -","- C236 H172 B4 Cl8 Cr4 F80 N4 O8 P8 -","4","1","","Kim, Eun Ho; Lee, Hyun Mo; Jeong, Myoung Sun; Ryu, Ji Yeon; Lee, Junseong; Lee, Bun Yeoul","Methylaluminoxane-Free Chromium Catalytic System for Ethylene Tetramerization.","ACS omega","2017","2","3","765","773","10.1021/acsomega.6b00506","","","0.71073","MoKα","","0.1355","0.0624","","","0.1433","0.1759","","","","","","0.995","","","","has coordinates","239583","2020-10-21","18:00:00",""
"4516840","10.5859","0.0004","27.5961","0.0011","25.9776","0.0011","90","","97.937","0.003","90","","7516.1","0.5","100","2","100","2","","","","","","","","8","P 1 21/c 1","-P 2ybc","14","","","","- C78.5 H55 B Cl3 Cr F20 N2 P4 -","- C78.5 H55 B Cl3 Cr F20 N2 P4 -","- C314 H220 B4 Cl12 Cr4 F80 N8 P16 -","4","1","","Kim, Eun Ho; Lee, Hyun Mo; Jeong, Myoung Sun; Ryu, Ji Yeon; Lee, Junseong; Lee, Bun Yeoul","Methylaluminoxane-Free Chromium Catalytic System for Ethylene Tetramerization.","ACS omega","2017","2","3","765","773","10.1021/acsomega.6b00506","","","0.71073","MoKα","","0.1662","0.1116","","","0.2752","0.313","","","","","","1.081","","","","has coordinates","239584","2020-10-21","18:00:00",""
"4516841","10.9963","0.0005","17.015","0.0008","19.1408","0.0009","90","","105.158","0.002","90","","3456.7","0.3","100","2","100","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C32 H12 Ag B F20 N4 -","- C32 H12 Ag B F20 N4 -","- C128 H48 Ag4 B4 F80 N16 -","4","1","","Kim, Eun Ho; Lee, Hyun Mo; Jeong, Myoung Sun; Ryu, Ji Yeon; Lee, Junseong; Lee, Bun Yeoul","Methylaluminoxane-Free Chromium Catalytic System for Ethylene Tetramerization.","ACS omega","2017","2","3","765","773","10.1021/acsomega.6b00506","","","0.71073","MoKα","","0.0557","0.0396","","","0.0979","0.1059","","","","","","1.001","","","","has coordinates","239585","2020-10-21","18:00:00",""
"4516842","8.7648","0.0003","15.8313","0.0004","13.7699","0.0004","90","","92.006","0.001","90","","1909.52","0.1","298","2","298","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C21 H20 Cl2 N2 Ni -","- C21 H20 Cl2 N2 Ni -","- C84 H80 Cl8 N8 Ni4 -","4","1","","Sasi, Divya; Ramkumar, Venkatachalam; Murthy, Narasimha N.","Bite-Angle-Regulated Coordination Geometries: Tetrahedral and Trigonal Bipyramidal in Ni(II) with Biphenyl-Appended (2-Pyridyl)alkylamine <i>N</i>,<i>N</i>'-Bidentate Ligands.","ACS omega","2017","2","6","2474","2481","10.1021/acsomega.7b00119","","","0.71073","MoKα","","0.0438","0.0318","","","0.0763","0.083","","","","","","1.033","","","","has coordinates","239586","2020-10-21","18:00:00",""
"4516843","8.8898","0.0002","16.2357","0.0005","13.6964","0.0004","90","","92.812","0.001","90","","1974.45","0.09","298","2","298","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C21 H20 Br2 N2 Ni -","- C21 H20 Br2 N2 Ni -","- C84 H80 Br8 N8 Ni4 -","4","1","","Sasi, Divya; Ramkumar, Venkatachalam; Murthy, Narasimha N.","Bite-Angle-Regulated Coordination Geometries: Tetrahedral and Trigonal Bipyramidal in Ni(II) with Biphenyl-Appended (2-Pyridyl)alkylamine <i>N</i>,<i>N</i>'-Bidentate Ligands.","ACS omega","2017","2","6","2474","2481","10.1021/acsomega.7b00119","","","0.71073","MoKα","","0.0461","0.028","","","0.0639","0.071","","","","","","1.025","","","","has coordinates","239586","2020-10-21","18:00:00",""
"4516844","10.6392","0.0002","13.9963","0.0002","14.0566","0.0003","90","","93.891","0.001","90","","2088.34","0.07","298","2","298","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C21 H20 I2 N2 Ni -","- C21 H20 I2 N2 Ni -","- C84 H80 I8 N8 Ni4 -","4","1","","Sasi, Divya; Ramkumar, Venkatachalam; Murthy, Narasimha N.","Bite-Angle-Regulated Coordination Geometries: Tetrahedral and Trigonal Bipyramidal in Ni(II) with Biphenyl-Appended (2-Pyridyl)alkylamine <i>N</i>,<i>N</i>'-Bidentate Ligands.","ACS omega","2017","2","6","2474","2481","10.1021/acsomega.7b00119","","","0.71073","MoKα","","0.0515","0.0343","","","0.0728","0.0797","","","","","","1.023","","","","has coordinates","239586","2020-10-21","18:00:00",""
"4516845","14.9404","0.0009","14.3046","0.0009","18.9865","0.0008","90","","101.592","0.002","90","","3975","0.4","173","2","173","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C41 H38 Cl4 N4 Ni O4 -","- C41 H38 Cl4 N4 Ni O4 -","- C164 H152 Cl16 N16 Ni4 O16 -","4","1","","Sasi, Divya; Ramkumar, Venkatachalam; Murthy, Narasimha N.","Bite-Angle-Regulated Coordination Geometries: Tetrahedral and Trigonal Bipyramidal in Ni(II) with Biphenyl-Appended (2-Pyridyl)alkylamine <i>N</i>,<i>N</i>'-Bidentate Ligands.","ACS omega","2017","2","6","2474","2481","10.1021/acsomega.7b00119","","","0.71073","MoKα","","0.0831","0.0563","","","0.1421","0.1579","","","","","","1.055","","","","has coordinates,has disorder","239586","2020-10-21","18:00:00",""
"4516846","14.9042","0.0009","14.4103","0.0009","19.0672","0.0009","90","","101.68","0.002","90","","4010.3","0.4","173","2","173","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C41 H38 Br Cl3 N4 Ni O4 -","- C41 H38 Br Cl3.002 N4 Ni O4 -","- C164 H152 Br4 Cl12.008 N16 Ni4 O16 -","4","1","","Sasi, Divya; Ramkumar, Venkatachalam; Murthy, Narasimha N.","Bite-Angle-Regulated Coordination Geometries: Tetrahedral and Trigonal Bipyramidal in Ni(II) with Biphenyl-Appended (2-Pyridyl)alkylamine <i>N</i>,<i>N</i>'-Bidentate Ligands.","ACS omega","2017","2","6","2474","2481","10.1021/acsomega.7b00119","","","0.71073","MoKα","","0.0862","0.0438","","","0.0924","0.1098","","","","","","1","","","","has coordinates,has disorder","239586","2020-10-21","18:00:00",""
"4516847","9.8216","0.0005","10.4129","0.0005","18.4809","0.0009","86.609","0.003","77.757","0.003","82.462","0.003","1830.16","0.16","173","2","173","2","","","","","","","","7","P -1","-P 1","2","","","","- C40 H36 Cl I N4 Ni O4 -","- C40 H36 Cl I N4 Ni O4 -","- C80 H72 Cl2 I2 N8 Ni2 O8 -","2","1","","Sasi, Divya; Ramkumar, Venkatachalam; Murthy, Narasimha N.","Bite-Angle-Regulated Coordination Geometries: Tetrahedral and Trigonal Bipyramidal in Ni(II) with Biphenyl-Appended (2-Pyridyl)alkylamine <i>N</i>,<i>N</i>'-Bidentate Ligands.","ACS omega","2017","2","6","2474","2481","10.1021/acsomega.7b00119","","","0.71073","MoKα","","0.0923","0.0518","","","0.1385","0.1608","","","","","","1.029","","","","has coordinates","239586","2020-10-21","18:00:00",""
"4516848","6.4312","0.00013","22.8417","0.0005","15.8232","0.0003","90","","95.972","0.002","90","","2311.81","0.08","100","2","100","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C30 H27 N3 O -","- C30 H27 N3 O -","- C120 H108 N12 O4 -","4","1","","Melekhova, Anna A.; Smirnov, Andrey S.; Novikov, Alexander S.; Panikorovskii, Taras L.; Bokach, Nadezhda A.; Kukushkin, Vadim Yu","Copper(I)-Catalyzed 1,3-Dipolar Cycloaddition of Ketonitrones to Dialkylcyanamides: A Step toward Sustainable Generation of 2,3-Dihydro-1,2,4-oxadiazoles.","ACS omega","2017","2","4","1380","1391","10.1021/acsomega.7b00130","","x-ray","1.54184","CuKα","","0.0404","0.0371","","","0.1009","0.1055","","","","","","1.002","","","","has coordinates","239587","2020-10-21","18:00:00",""
"4516849","14.5573","0.0016","8.6999","0.0009","12.7827","0.0014","90","","96.586","0.01","90","","1608.2","0.3","100","2","100","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C19 H21 N3 O -","- C19 H21 N3 O -","- C76 H84 N12 O4 -","4","1","","Melekhova, Anna A.; Smirnov, Andrey S.; Novikov, Alexander S.; Panikorovskii, Taras L.; Bokach, Nadezhda A.; Kukushkin, Vadim Yu","Copper(I)-Catalyzed 1,3-Dipolar Cycloaddition of Ketonitrones to Dialkylcyanamides: A Step toward Sustainable Generation of 2,3-Dihydro-1,2,4-oxadiazoles.","ACS omega","2017","2","4","1380","1391","10.1021/acsomega.7b00130","","","0.7107","MoKα","","0.0709","0.0558","","","0.1305","0.1427","","","","","","1.057","","","","has coordinates","239588","2020-10-21","18:00:00",""
"4516850","16.8731","0.0005","13.9085","0.0004","21.1754","0.0006","90","","93.668","0.003","90","","4959.3","0.2","100","2","100","2","","","","","","","","7","I 1 2/c 1","-I 2yc","15","","","","- C56 H52 B2 Cu F8 N4 O4 -","- C56 H52 B2 Cu F8 N4 O4 -","- C224 H208 B8 Cu4 F32 N16 O16 -","4","0.5","","Melekhova, Anna A.; Smirnov, Andrey S.; Novikov, Alexander S.; Panikorovskii, Taras L.; Bokach, Nadezhda A.; Kukushkin, Vadim Yu","Copper(I)-Catalyzed 1,3-Dipolar Cycloaddition of Ketonitrones to Dialkylcyanamides: A Step toward Sustainable Generation of 2,3-Dihydro-1,2,4-oxadiazoles.","ACS omega","2017","2","4","1380","1391","10.1021/acsomega.7b00130","","","0.7107","MoKα","","0.0336","0.0297","","","0.1127","0.1175","","","","","","1.021","","","","has coordinates","239589","2020-10-21","18:00:00",""
"4516851","12.1035","0.0006","7.5373","0.0003","24.9505","0.0014","90","","102.083","0.005","90","","2225.75","0.19","100","2","100","2","","","","","","","","4","I 1 2/c 1","-I 2yc","15","","","","- C14 H13 N O -","- C14 H13 N O -","- C112 H104 N8 O8 -","8","1","","Melekhova, Anna A.; Smirnov, Andrey S.; Novikov, Alexander S.; Panikorovskii, Taras L.; Bokach, Nadezhda A.; Kukushkin, Vadim Yu","Copper(I)-Catalyzed 1,3-Dipolar Cycloaddition of Ketonitrones to Dialkylcyanamides: A Step toward Sustainable Generation of 2,3-Dihydro-1,2,4-oxadiazoles.","ACS omega","2017","2","4","1380","1391","10.1021/acsomega.7b00130","","x-ray","1.54184","CuKα","","0.063","0.0425","","","0.1022","0.1117","","","","","","1.044","","","","has coordinates","239590","2020-10-21","18:00:00",""
"4516852","20.8249","0.0004","8.55531","0.00017","24.3304","0.0005","90","","90","","90","","4334.79","0.15","100","2","100","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C28 H26 N3 O -","- C28 H26 N3 O -","- C224 H208 N24 O8 -","8","1","","Melekhova, Anna A.; Smirnov, Andrey S.; Novikov, Alexander S.; Panikorovskii, Taras L.; Bokach, Nadezhda A.; Kukushkin, Vadim Yu","Copper(I)-Catalyzed 1,3-Dipolar Cycloaddition of Ketonitrones to Dialkylcyanamides: A Step toward Sustainable Generation of 2,3-Dihydro-1,2,4-oxadiazoles.","ACS omega","2017","2","4","1380","1391","10.1021/acsomega.7b00130","","x-ray","1.54184","CuKα","","0.0452","0.0388","","","0.125","0.1339","","","","","","1.099","","","","has coordinates","239591","2020-10-21","18:00:00",""
"4516853","7.51","0.005","18.28","0.006","9.683","0.004","90","","107.65","0.04","90","","1266.7","1.1","296","","296","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C13 H11 Br2 N -","- C13 H11 Br2 N -","- C52 H44 Br8 N4 -","4","1","","Muragishi, Kengo; Asahara, Haruyasu; Nishiwaki, Nagatoshi","Hydrohalogenation of Ethynylpyridines Involving Nucleophilic Attack of a Halide Ion.","ACS omega","2017","2","4","1265","1272","10.1021/acsomega.7b00133","","","0.71069","MoKα","","","0.0618","","","","0.1793","","","","","","1.034","","","","has coordinates","239592","2020-10-21","18:00:00",""
"4516854","8.818","0.002","11.378","0.003","11.618","0.003","90","","100.853","0.017","90","","1144.8","0.5","296","","296","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C13 H10 Cl N -","- C13 H10 Cl N -","- C52 H40 Cl4 N4 -","4","1","","Muragishi, Kengo; Asahara, Haruyasu; Nishiwaki, Nagatoshi","Hydrohalogenation of Ethynylpyridines Involving Nucleophilic Attack of a Halide Ion.","ACS omega","2017","2","4","1265","1272","10.1021/acsomega.7b00133","","","0.71069","MoKα","","","0.0478","","","","0.163","","","","","","1.07","","","","has coordinates","239593","2020-10-21","18:00:00",""
"4516855","5.5786","0.0008","7.5398","0.0011","23.223","0.004","90","","90","","90","","976.8","0.3","100","2","100","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C11 H12 N2 O -","- C11 H12 N2 O -","- C44 H48 N8 O4 -","4","1","","Vellé, Alba; Cebollada, Andrea; Macías, Ramón; Iglesias, Manuel; Gil-Moles, María; Sanz Miguel, Pablo J.","From Imidazole toward Imidazolium Salts and N-Heterocyclic Carbene Ligands: Electronic and Geometrical Redistribution.","ACS omega","2017","2","4","1392","1399","10.1021/acsomega.7b00138","","","0.71073","MoKα","","0.0597","0.0451","","","0.1127","0.1209","","","","","","1.068","","","","has coordinates","239594","2020-10-21","18:00:00",""
"4516856","9.9925","0.0006","17.2375","0.001","14.6398","0.0008","90","","94.895","0.001","90","","2512.4","0.3","100","2","100","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C23 H24 I2 N4 O2 Pd -","- C23 H24 I2 N4 O2 Pd -","- C92 H96 I8 N16 O8 Pd4 -","4","1","","Vellé, Alba; Cebollada, Andrea; Macías, Ramón; Iglesias, Manuel; Gil-Moles, María; Sanz Miguel, Pablo J.","From Imidazole toward Imidazolium Salts and N-Heterocyclic Carbene Ligands: Electronic and Geometrical Redistribution.","ACS omega","2017","2","4","1392","1399","10.1021/acsomega.7b00138","","","0.71073","MoKα","","0.0398","0.0311","","","0.093","0.1001","","","","","","1.041","","","","has coordinates","239595","2020-10-21","18:00:00",""
"4516857","5.6463","0.0003","8.2933","0.0004","26.5684","0.0014","90","","93.68","0.001","90","","1241.54","0.11","100","2","100","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C11 H13 B F4 N2 O -","- C11 H13 B F4 N2 O -","- C44 H52 B4 F16 N8 O4 -","4","1","","Vellé, Alba; Cebollada, Andrea; Macías, Ramón; Iglesias, Manuel; Gil-Moles, María; Sanz Miguel, Pablo J.","From Imidazole toward Imidazolium Salts and N-Heterocyclic Carbene Ligands: Electronic and Geometrical Redistribution.","ACS omega","2017","2","4","1392","1399","10.1021/acsomega.7b00138","","","0.71073","MoKα","","0.055","0.0417","","","0.0981","0.1071","","","","","","1.069","","","","has coordinates","239596","2020-10-21","18:00:00",""
"4516858","36.0917","0.0015","5.1773","0.0002","13.821","0.0006","90","","91.583","0.001","90","","2581.57","0.18","100","2","100","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C23 H26 I2 N4 O2 -","- C23 H26 I2 N4 O2 -","- C92 H104 I8 N16 O8 -","4","0.5","","Vellé, Alba; Cebollada, Andrea; Macías, Ramón; Iglesias, Manuel; Gil-Moles, María; Sanz Miguel, Pablo J.","From Imidazole toward Imidazolium Salts and N-Heterocyclic Carbene Ligands: Electronic and Geometrical Redistribution.","ACS omega","2017","2","4","1392","1399","10.1021/acsomega.7b00138","","","0.71073","MoKα","","0.0243","0.0209","","","0.0659","0.0698","","","","","","0.991","","","","has coordinates","239597","2020-10-21","18:00:00",""
"4516859","7.3415","0.0001","10.2832","0.0001","17.6002","0.0002","90","","90","","90","","1328.71","0.03","100","2","100","2","","","","","","","synthesis as described","4","P 21 21 21","P 2ac 2ab","19","","","","- C17 H15 N O3 -","- C17 H15 N O3 -","- C68 H60 N4 O12 -","4","1","","Aranzamendi, Eider; Sotomayor, Nuria; Lete, Esther","Phenolic Activation in Chiral Brønsted Acid-Catalyzed Intramolecular α-Amidoalkylation Reactions for the Synthesis of Fused Isoquinolines.","ACS omega","2017","2","6","2706","2718","10.1021/acsomega.7b00170","","x-ray","1.54184","CuKα","","0.026","0.0254","","","0.065","0.0655","","","","","","1.055","","","","has coordinates","239598","2020-10-21","18:00:00",""
"4516860","22.9275","0.0011","10.705","0.0004","30.4859","0.001","90","","90","","90","","7482.4","0.5","100","0.1","100","0.1","","","","","","","","7","P b c n","-P 2n 2ab","60","","","","- C62 H88 Cu4 N8 Na3 O30 P -","- C62 H58 Cu4 N8 Na3 O30 P -","- C248 H232 Cu16 N32 Na12 O120 P4 -","4","0.5","","Haldar, Shobhraj; Vijaykumar, Gonela; Carrella, Luca; Batha, Steven; Musie, Ghezai T.; Bera, Manindranath","Inorganic Phosphate and Arsenate within New Tetranuclear Copper and Zinc Complexes: Syntheses, Crystal Structures, Magnetic, Electrochemical, and Thermal Studies.","ACS omega","2017","2","4","1535","1549","10.1021/acsomega.7b00189","","x-ray","0.71073","MoKα","","0.1093","0.0722","","","0.175","0.1977","","","","","","1.061","","","","has coordinates,has disorder","239599","2020-10-21","18:00:00",""
"4516861","23.4332","0.0006","10.3864","0.0003","30.7434","0.0009","90","","90","","90","","7482.5","0.4","100","0.1","100","0.1","","","","","","","","7","P b c n","-P 2n 2ab","60","","","","- C62 H92.3 As Cu4 K2 N8 O31.67 -","- C62 H58 As Cu4 K2 N8 O31.67 -","- C248 H232 As4 Cu16 K8 N32 O126.68 -","4","0.5","","Haldar, Shobhraj; Vijaykumar, Gonela; Carrella, Luca; Batha, Steven; Musie, Ghezai T.; Bera, Manindranath","Inorganic Phosphate and Arsenate within New Tetranuclear Copper and Zinc Complexes: Syntheses, Crystal Structures, Magnetic, Electrochemical, and Thermal Studies.","ACS omega","2017","2","4","1535","1549","10.1021/acsomega.7b00189","","x-ray","0.71073","MoKα","","0.0538","0.0479","","","0.1321","0.1364","","","","","","1.109","","","","has coordinates,has disorder","239600","2020-10-21","18:00:00",""
"4516862","32.2177","0.0015","13.35","0.0006","39.051","0.002","90","","108.074","0.006","90","","15967.3","1.4","100","2","100","","","","","","","","","8","I 1 2/a 1","-I 2ya","15","","","","- C62 H90 Cl3 N8 Na O28.5 P Zn4 -","- C62 H58 Cl3 N8 Na O28.5 P Zn4 -","- C496 H464 Cl24 N64 Na8 O228 P8 Zn32 -","8","1","","Haldar, Shobhraj; Vijaykumar, Gonela; Carrella, Luca; Batha, Steven; Musie, Ghezai T.; Bera, Manindranath","Inorganic Phosphate and Arsenate within New Tetranuclear Copper and Zinc Complexes: Syntheses, Crystal Structures, Magnetic, Electrochemical, and Thermal Studies.","ACS omega","2017","2","4","1535","1549","10.1021/acsomega.7b00189","","","1.54184","CuKα","","0.1141","0.0977","","","0.2794","0.2989","","","","","","1.043","","","","has coordinates,has disorder","239601","2020-10-21","18:00:00",""
"4516863","12.3561","0.0009","21.5867","0.0016","25.9119","0.0019","90","","97.685","0.001","90","","6849.3","0.9","90","","90","","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C71 H62 Br4 Cl2 O3 P2 Pd2 -","- C71 H62 Br4 Cl2 O3 P2 Pd2 -","- C284 H248 Br16 Cl8 O12 P8 Pd8 -","4","1","","Leung, Franco King-Chi; Ishiwari, Fumitaka; Shoji, Yoshiaki; Nishikawa, Tsuyoshi; Takeda, Ryohei; Nagata, Yuuya; Suginome, Michinori; Uozumi, Yasuhiro; Yamada, Yoichi M. A.; Fukushima, Takanori","Synthesis and Catalytic Applications of a Triptycene-Based Monophosphine Ligand for Palladium-Mediated Organic Transformations.","ACS omega","2017","2","5","1930","1937","10.1021/acsomega.7b00200","","","0.71073","MoKα","","0.044","0.0377","","","0.099","0.1037","","","","","","1.025","","","","has coordinates,has disorder","239602","2020-10-21","18:00:00",""
"4516864","10.4695","0.0007","13.2135","0.0007","20.0206","0.0011","80.529","0.004","75.371","0.005","72.857","0.005","2548.6","0.3","173","2","173","2","","","","","","","","5","P -1","-P 1","2","","","","- C56 H74 Al2 N2 P2 -","- C56 H74 Al2 N2 P2 -","- C112 H148 Al4 N4 P4 -","2","1","","Ding, Shuang; Li, Jiancheng; Liu, Rui; Fu, Gang; Zhu, Hongping; Liu, Weiping; Ye, Qingsong","N-Geminal P/Al Lewis Pair-Alkyne Dipolar Cycloaddition to the Zwitterionic C<sub>2</sub>PNAl-Heterocyclopentene.","ACS omega","2017","2","6","2405","2414","10.1021/acsomega.7b00236","","","0.71073","MoKα","","0.0827","0.0603","","","0.1264","0.1355","","","","","","1.053","","","","has coordinates","239603","2020-10-21","18:00:00",""
"4516865","8.86","0.0002","17.185","0.0004","18.9406","0.0005","90","","96.662","0.002","90","","2864.41","0.12","173","2","173","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C32 H43 Al N P -","- C32 H43 Al N P -","- C128 H172 Al4 N4 P4 -","4","1","","Ding, Shuang; Li, Jiancheng; Liu, Rui; Fu, Gang; Zhu, Hongping; Liu, Weiping; Ye, Qingsong","N-Geminal P/Al Lewis Pair-Alkyne Dipolar Cycloaddition to the Zwitterionic C<sub>2</sub>PNAl-Heterocyclopentene.","ACS omega","2017","2","6","2405","2414","10.1021/acsomega.7b00236","","","0.71073","MoKα","","0.0547","0.0446","","","0.1034","0.1084","","","","","","1.033","","","","has coordinates,has disorder","239603","2020-10-21","18:00:00",""
"4516866","9.0888","0.0005","12.6922","0.0008","18.1397","0.001","81.178","0.005","75.876","0.005","71.478","0.005","1917.6","0.2","173","2","173","2","","","","","","","","5","P -1","-P 1","2","","","","- C44 H53 Al N P -","- C44 H53 Al N P -","- C88 H106 Al2 N2 P2 -","2","1","","Ding, Shuang; Li, Jiancheng; Liu, Rui; Fu, Gang; Zhu, Hongping; Liu, Weiping; Ye, Qingsong","N-Geminal P/Al Lewis Pair-Alkyne Dipolar Cycloaddition to the Zwitterionic C<sub>2</sub>PNAl-Heterocyclopentene.","ACS omega","2017","2","6","2405","2414","10.1021/acsomega.7b00236","","","0.71073","MoKα","","0.0516","0.0415","","","0.0984","0.1029","","","","","","1.017","","","","has coordinates","239603","2020-10-21","18:00:00",""
"4516867","22.224","0.001","10.3811","0.0003","19.8887","0.0008","90","","106.535","0.004","90","","4398.8","0.3","173","2","173","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C48 H60 Al N P Si -","- C48 H60 Al N P Si -","- C192 H240 Al4 N4 P4 Si4 -","4","1","","Ding, Shuang; Li, Jiancheng; Liu, Rui; Fu, Gang; Zhu, Hongping; Liu, Weiping; Ye, Qingsong","N-Geminal P/Al Lewis Pair-Alkyne Dipolar Cycloaddition to the Zwitterionic C<sub>2</sub>PNAl-Heterocyclopentene.","ACS omega","2017","2","6","2405","2414","10.1021/acsomega.7b00236","","","0.71073","MoKα","","0.0651","0.0507","","","0.117","0.1236","","","","","","1.035","","","","has coordinates,has disorder","239603","2020-10-21","18:00:00",""
"4516868","11.2201","0.0003","17.0091","0.0005","34.4339","0.0012","90","","90","","90","","6571.5","0.3","173","2","173","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C66 H94 Al2 N2 P2 Si2 -","- C66 H94 Al2 N2 P2 Si2 -","- C264 H376 Al8 N8 P8 Si8 -","4","1","","Ding, Shuang; Li, Jiancheng; Liu, Rui; Fu, Gang; Zhu, Hongping; Liu, Weiping; Ye, Qingsong","N-Geminal P/Al Lewis Pair-Alkyne Dipolar Cycloaddition to the Zwitterionic C<sub>2</sub>PNAl-Heterocyclopentene.","ACS omega","2017","2","6","2405","2414","10.1021/acsomega.7b00236","","","0.71073","MoKα","","0.0512","0.0448","","","0.0954","0.0985","","","","","","1.101","","","","has coordinates,has disorder","239603","2020-10-21","18:00:00",""
"4516869","9.8448","0.0002","21.6758","0.0004","18.8506","0.0004","90","","103.603","0.002","90","","3909.76","0.14","100","2","100","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C43 H51 Al Br N P -","- C43 H51 Al Br N P -","- C172 H204 Al4 Br4 N4 P4 -","4","1","","Ding, Shuang; Li, Jiancheng; Liu, Rui; Fu, Gang; Zhu, Hongping; Liu, Weiping; Ye, Qingsong","N-Geminal P/Al Lewis Pair-Alkyne Dipolar Cycloaddition to the Zwitterionic C<sub>2</sub>PNAl-Heterocyclopentene.","ACS omega","2017","2","6","2405","2414","10.1021/acsomega.7b00236","","","1.54178","CuKα","","0.0413","0.0381","","","0.0971","0.1009","","","","","","1.032","","","","has coordinates","239603","2020-10-21","18:00:00",""
"4516870","12.8768","0.0004","15.7414","0.0005","16.2486","0.0006","90","","102.37","0.003","90","","3217.11","0.19","193","2","193","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C35 H41 Al Br N2 P -","- C35 H41 Al Br N2 P -","- C140 H164 Al4 Br4 N8 P4 -","4","1","","Ding, Shuang; Li, Jiancheng; Liu, Rui; Fu, Gang; Zhu, Hongping; Liu, Weiping; Ye, Qingsong","N-Geminal P/Al Lewis Pair-Alkyne Dipolar Cycloaddition to the Zwitterionic C<sub>2</sub>PNAl-Heterocyclopentene.","ACS omega","2017","2","6","2405","2414","10.1021/acsomega.7b00236","","","1.54178","CuKα","","0.0589","0.0535","","","0.1359","0.1453","","","","","","1.039","","","","has coordinates","239603","2020-10-21","18:00:00",""
"4516871","10.4534","0.0002","21.1539","0.0005","17.4007","0.0004","90","","94.825","0.002","90","","3834.18","0.15","100","2","100","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C41 H56 Al N3 P -","- C41 H56 Al N3 P -","- C164 H224 Al4 N12 P4 -","4","1","","Ding, Shuang; Li, Jiancheng; Liu, Rui; Fu, Gang; Zhu, Hongping; Liu, Weiping; Ye, Qingsong","N-Geminal P/Al Lewis Pair-Alkyne Dipolar Cycloaddition to the Zwitterionic C<sub>2</sub>PNAl-Heterocyclopentene.","ACS omega","2017","2","6","2405","2414","10.1021/acsomega.7b00236","","","0.71073","MoKα","","0.0605","0.0492","","","0.1203","0.1264","","","","","","1.027","","","","has coordinates,has disorder","239603","2020-10-21","18:00:00",""
"4516872","3.7419","0.0004","8.4966","0.0009","20.448","0.002","90","","90.597","0.003","90","","650.08","0.12","100","","100","","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C16 H6 N4 O4 -","- C16 H6 N4 O4 -","- C32 H12 N8 O8 -","2","1","","Glöcklhofer, Florian; Morawietz, Andreas J.; Stöger, Berthold; Unterlass, Miriam M.; Fröhlich, Johannes","Extending the Scope of a New Cyanation: Design and Synthesis of an Anthracene Derivative with an Exceptionally Low LUMO Level and Improved Solubility.","ACS omega","2017","2","4","1594","1600","10.1021/acsomega.7b00245","","x-ray","0.71073","MoKα","","0.0563","0.0464","","","0.0697","0.0725","","","","1.61","1.61","1.54","","","","has coordinates","239604","2020-10-21","18:00:00",""
"4516873","7.4784","0.0011","8.6549","0.0012","20.629","0.003","90","","94.493","0.004","90","","1331.1","0.3","100","","100","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C15 H6 Br N3 O4 -","- C15 H6 Br N3 O4 -","- C60 H24 Br4 N12 O16 -","4","1","","Glöcklhofer, Florian; Morawietz, Andreas J.; Stöger, Berthold; Unterlass, Miriam M.; Fröhlich, Johannes","Extending the Scope of a New Cyanation: Design and Synthesis of an Anthracene Derivative with an Exceptionally Low LUMO Level and Improved Solubility.","ACS omega","2017","2","4","1594","1600","10.1021/acsomega.7b00245","","x-ray","0.71073","MoKα","","0.0446","0.0289","","","0.0392","0.042","","","","1.38","1.38","1.3","","","","has coordinates","239604","2020-10-21","18:00:00",""
"4516874","10.4594","0.0008","12.3954","0.001","26.28","0.002","90","","95.388","0.001","90","","3392.1","0.5","293","2","293","2","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C38 H32 B Cl2 F2 N3 O5 -","- C38 H32 B Cl2 F2 N3 O5 -","- C152 H128 B4 Cl8 F8 N12 O20 -","4","1","","Wang, Jun; Wu, Yayang; Sheng, Wanle; Yu, Changjiang; Wei, Yun; Hao, Erhong; Jiao, Lijuan","Synthesis, Structure, and Properties of β-Vinyl Ketone/Ester Functionalized AzaBODIPYs from FormylazaBODIPYs.","ACS omega","2017","2","6","2568","2576","10.1021/acsomega.7b00393","","","0.71073","MoKα","","0.1113","0.0824","","","0.2326","0.2571","","","","","","1.082","","","","has coordinates,has disorder","239605","2020-10-21","18:00:00",""
"4516875","10.5005","0.0014","10.9651","0.0014","14.867","0.0019","90.158","0.002","104.416","0.001","102.641","0.002","1614.7","0.4","293","2","293","2","","","","","","","","7","P -1","-P 1","2","","","","- C36 H28 B Cl2 F2 N3 O3 -","- C36 H28 B Cl2 F2 N3 O3 -","- C72 H56 B2 Cl4 F4 N6 O6 -","2","1","","Wang, Jun; Wu, Yayang; Sheng, Wanle; Yu, Changjiang; Wei, Yun; Hao, Erhong; Jiao, Lijuan","Synthesis, Structure, and Properties of β-Vinyl Ketone/Ester Functionalized AzaBODIPYs from FormylazaBODIPYs.","ACS omega","2017","2","6","2568","2576","10.1021/acsomega.7b00393","","","0.71073","MoKα","","0.0729","0.0553","","","0.1492","0.1644","","","","","","1.064","","","","has coordinates,has disorder","239605","2020-10-21","18:00:00",""
"4516876","11.441","0.012","12.524","0.013","13.818","0.014","95.751","0.013","90.47","0.012","107.762","0.011","1874","3","293","2","293","2","","","","","","","","6","P -1","-P 1","2","","","","- C41 H36 B F2 N3 O6 -","- C41 H36 B F2 N3 O6 -","- C82 H72 B2 F4 N6 O12 -","2","1","","Wang, Jun; Wu, Yayang; Sheng, Wanle; Yu, Changjiang; Wei, Yun; Hao, Erhong; Jiao, Lijuan","Synthesis, Structure, and Properties of β-Vinyl Ketone/Ester Functionalized AzaBODIPYs from FormylazaBODIPYs.","ACS omega","2017","2","6","2568","2576","10.1021/acsomega.7b00393","","","0.71073","MoKα","","0.2106","0.1117","","","0.2655","0.3285","","","","","","1.007","","","","has coordinates,has disorder","239605","2020-10-21","18:00:00",""
"4516877","10.8724","0.0012","12.3475","0.0014","13.0261","0.0015","106.184","0.001","98.292","0.001","98.518","0.001","1628.9","0.3","293","2","293","2","","","","","","","","6","P -1","-P 1","2","","","","- C39 H32 B F2 N3 O4 -","- C39 H32 B F2 N3 O4 -","- C78 H64 B2 F4 N6 O8 -","2","1","","Wang, Jun; Wu, Yayang; Sheng, Wanle; Yu, Changjiang; Wei, Yun; Hao, Erhong; Jiao, Lijuan","Synthesis, Structure, and Properties of β-Vinyl Ketone/Ester Functionalized AzaBODIPYs from FormylazaBODIPYs.","ACS omega","2017","2","6","2568","2576","10.1021/acsomega.7b00393","","","0.71073","MoKα","","0.0775","0.0595","","","0.179","0.1987","","","","","","1.037","","","","has coordinates","239605","2020-10-21","18:00:00",""
"4516878","14.079","0.0007","9.5407","0.0004","15.4359","0.0007","90","","111.764","0.001","90","","1925.61","0.15","294","2","294","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C24 H19 N3 O2 -","- C24 H19 N3 O2 -","- C96 H76 N12 O8 -","4","1","","Dwivedi, Vikas; Kumar, Ravi; Sharma, Kavita; Sridhar, Balasubramanian; Reddy, Maddi Sridhar","Copper-Promoted Regioselective Intermolecular Diamination of Ynamides: Synthesis of Imidazo[1,2-<i>a</i>]pyridines.","ACS omega","2017","2","6","2770","2777","10.1021/acsomega.7b00426","","","0.71073","MoKα","","0.0726","0.0569","","","0.1429","0.1532","","","","","","1.049","","","","has coordinates","239606","2020-10-21","18:00:00",""
"4516879","11.975","0.002","6.8162","0.0011","18.711","0.003","90","","98.345","0.004","90","","1511.1","0.4","294","2","294","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C34 H30 F2 N6 O5 -","- C34 H30 F2 N6 O5 -","- C68 H60 F4 N12 O10 -","2","0.5","","Dwivedi, Vikas; Kumar, Ravi; Sharma, Kavita; Sridhar, Balasubramanian; Reddy, Maddi Sridhar","Copper-Promoted Regioselective Intermolecular Diamination of Ynamides: Synthesis of Imidazo[1,2-<i>a</i>]pyridines.","ACS omega","2017","2","6","2770","2777","10.1021/acsomega.7b00426","","","0.71073","MoKα","","0.0975","0.0649","","","0.1483","0.1637","","","","","","1.097","","","","has coordinates","239607","2020-10-21","18:00:00",""
"4516880","5.0999","0.0001","15.0074","0.0006","23.3654","0.0009","90","","90","","90","","1788.3","0.11","293","2","298","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C17 H26 N2 O3 -","- C17 H26 N2 O3 -","- C68 H104 N8 O12 -","4","1","","de Castro, Pedro P.; Rimulo, Isabela M. R.; de Almeida, Angelina M.; Diniz, Renata; Amarante, Giovanni W.","Brønsted Acid-Catalyzed Epimerization-Free Preparation of Dual-Protected Amino Acid Derivatives.","ACS omega","2017","2","6","2967","2976","10.1021/acsomega.7b00523","","x-ray","0.71073","MoKα","","0.0852","0.0594","","","0.1638","0.1802","","","","","","1.072","","","","has coordinates,has disorder","239608","2020-10-21","18:00:00",""
"4516881","11.5528","0.0003","12.6752","0.0003","20.7463","0.0004","97.0831","0.0017","96.7463","0.0018","117.036","0.003","2633.08","0.13","150","","150","","","","","","","","","6","P -1","-P 1","2","","","","- C30 H50 N6 O29 P6 Ru -","- C30 H18 N6 O29 P6 Ru -","- C60 H36 N12 O58 P12 Ru2 -","2","1","","Furugori, Sogo; Kobayashi, Atsushi; Watanabe, Ayako; Yoshida, Masaki; Kato, Masako","Impact of Photosensitizing Multilayered Structure on Ruthenium(II)-Dye-Sensitized TiO<sub>2</sub>-Nanoparticle Photocatalysts.","ACS omega","2017","2","7","3901","3912","10.1021/acsomega.7b00566","","","1.54187","CuKα","","0.0857","0.0771","","","0.2273","0.2383","","","","","","1.057","","","","has coordinates","239609","2020-10-21","18:00:00",""
"4516882","33.259","0.003","33.259","0.003","15.5227","0.0018","90","","90","","120","","14870","3","100","2","100","2","","","","","","","","4","R -3 :H","-R 3","148","","","","- C34 H34 N4 O2 -","- C34 H34 N4 O2 -","- C612 H612 N72 O36 -","18","1","","Zhai, Feng; Jordan, Richard F.","Autoxidation of Heterocyclic Aminals.","ACS omega","2017","2","6","3055","3063","10.1021/acsomega.7b00589","","","0.71073","MoKα","","0.0729","0.0529","","","0.1308","0.1406","","","","","","1.055","","","","has coordinates,has disorder","239610","2020-10-21","18:00:00",""
"4516883","22.72","0.003","8.2209","0.0009","17.0117","0.0019","90","","90","","90","","3177.4","0.7","100","2","100","2","","","","","","","","4","P c a 21","P 2c -2ac","29","","","","- C22 H16 N2 O2 -","- C22 H16 N2 O2 -","- C176 H128 N16 O16 -","8","2","","Zhai, Feng; Jordan, Richard F.","Autoxidation of Heterocyclic Aminals.","ACS omega","2017","2","6","3055","3063","10.1021/acsomega.7b00589","","","0.71073","MoKα","","0.0731","0.0439","","","0.0834","0.0936","","","","","","1.038","","","","has coordinates","239611","2020-10-21","18:00:00",""
"4516884","9.266","0.0011","15.0394","0.0017","13.5414","0.0016","90","","104.785","0.003","90","","1824.6","0.4","100","2","100","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C23 H20 N2 O2 -","- C23 H20 N2 O2 -","- C92 H80 N8 O8 -","4","1","","Zhai, Feng; Jordan, Richard F.","Autoxidation of Heterocyclic Aminals.","ACS omega","2017","2","6","3055","3063","10.1021/acsomega.7b00589","","","0.71073","MoKα","","0.1043","0.0591","","","0.1177","0.1356","","","","","","1.052","","","","has coordinates,has disorder","239612","2020-10-21","18:00:00",""
"4516885","42.788","0.003","42.788","0.003","7.4202","0.0006","90","","90","","120","","11765","1.5","100","2","100","","","","","","","","","4","R -3 :H","-R 3","148","","","","- C23 H20 N2 O4 -","- C23 H20 N2 O4 -","- C414 H360 N36 O72 -","18","1","","Zhai, Feng; Jordan, Richard F.","Autoxidation of Heterocyclic Aminals.","ACS omega","2017","2","6","3055","3063","10.1021/acsomega.7b00589","","","0.71073","MoKα","","0.089","0.0504","","","0.126","0.14","","","","","","1.058","","","","has coordinates","239613","2020-10-21","18:00:00",""
"4516886","7.4731","0.0006","9.404","0.0008","14.367","0.0012","93.623","0.002","100.659","0.002","111.227","0.002","915.54","0.13","100","2","100","2","","","","","","","","4","P -1","-P 1","2","","","","- C23 H20 N2 O3 -","- C23 H20 N2 O3 -","- C46 H40 N4 O6 -","2","1","","Zhai, Feng; Jordan, Richard F.","Autoxidation of Heterocyclic Aminals.","ACS omega","2017","2","6","3055","3063","10.1021/acsomega.7b00589","","","0.71073","MoKα","","0.0639","0.0443","","","0.1062","0.1161","","","","","","1.024","","","","has coordinates","239614","2020-10-21","18:00:00",""
"4516887","18.3177","0.0014","11.2752","0.0009","26.814","0.002","90","","100.871","0.003","90","","5438.7","0.7","100","2","100","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C34 H32 N4 O2 -","- C34 H32 N4 O2 -","- C272 H256 N32 O16 -","8","1","","Zhai, Feng; Jordan, Richard F.","Autoxidation of Heterocyclic Aminals.","ACS omega","2017","2","6","3055","3063","10.1021/acsomega.7b00589","","","0.71073","MoKα","","0.0593","0.0427","","","0.1036","0.1128","","","","","","1.038","","","","has coordinates","239615","2020-10-21","18:00:00",""
"4516888","11.183","0.0003","11.7285","0.0003","16.6352","0.0004","90","","90","","90","","2181.87","0.1","291","2","291.15","","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C26 H22 Cl2 N2 O -","- C26 H22 Cl2 N2 O -","- C104 H88 Cl8 N8 O4 -","4","1","","Zhang, Zhiguo; Gao, Xiaolong; Wan, Yameng; Huang, Yuanyuan; Huang, Guoqing; Zhang, Guisheng","Ammonium Acetate-Promoted One-Pot Tandem Aldol Condensation/Aza-Addition Reactions: Synthesis of 2,3,6,7-Tetrahydro-1<i>H</i>-pyrrolo[3,2-<i>c</i>]pyridin-4(5<i>H</i>)-ones.","ACS omega","2017","2","10","6844","6851","10.1021/acsomega.7b00626","","x-ray","1.54184","CuKα","","0.0411","0.0376","","","0.0939","0.0973","","","","","","1.049","","","","has coordinates","239616","2020-10-21","18:00:00",""
"4516889","12.018","0.002","17.578","0.004","12.558","0.003","90","","103.46","0.03","90","","2580","1","100","2","100","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C18 H21 B2 F8 Fe N7 S3 -","- C18 H21 B2 F8 Fe N7 S3 -","- C72 H84 B8 F32 Fe4 N28 S12 -","4","1","","Li, Li; Neville, Suzanne M.; Craze, Alexander R.; Clegg, Jack K.; Sciortino, Natasha F.; Arachchige, Kasun S Athukorala; Mustonen, Outi; Marjo, Christopher E.; McRae, Christopher R.; Kepert, Cameron J.; Lindoy, Leonard F.; Aldrich-Wright, Janice R; Li, Feng","Spin-State Patterning in an Iron(II) Tripodal Spin-Crossover Complex.","ACS omega","2017","2","7","3349","3353","10.1021/acsomega.7b00630","","","0.7108","silicondoublecrystalmonochromatedsynchrotron","","0.0611","0.0598","","","0.1535","0.1547","","","","","","1.051","","","","has coordinates,has disorder","239617","2020-10-21","18:00:00",""
"4516890","15.3958","0.0006","17.8619","0.0007","29.6863","0.0011","90","","103.301","0.004","90","","7944.7","0.5","190","2","190","2","","","","","","","","7","P 1 21 1","P 2yb","4","","","","- C18 H21 B2 F8 Fe N7 S3 -","- C18 H21 B2 F8 Fe N7 S3 -","- C216 H252 B24 F96 Fe12 N84 S36 -","12","6","","Li, Li; Neville, Suzanne M.; Craze, Alexander R.; Clegg, Jack K.; Sciortino, Natasha F.; Arachchige, Kasun S Athukorala; Mustonen, Outi; Marjo, Christopher E.; McRae, Christopher R.; Kepert, Cameron J.; Lindoy, Leonard F.; Aldrich-Wright, Janice R; Li, Feng","Spin-State Patterning in an Iron(II) Tripodal Spin-Crossover Complex.","ACS omega","2017","2","7","3349","3353","10.1021/acsomega.7b00630","","","0.71073","MoKα","","0.113","0.0822","","","0.2106","0.2469","","","","","","1.017","","","","has coordinates,has disorder","239618","2020-10-21","18:00:00",""
"4516891","12.392","0.003","17.872","0.004","12.651","0.003","90","","102.41","0.03","90","","2736.3","1.2","298","2","298","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C18 H21 B2 F8 Fe N7 S3 -","- C18 H21 B2 F8 Fe N7 S3 -","- C72 H84 B8 F32 Fe4 N28 S12 -","4","1","","Li, Li; Neville, Suzanne M.; Craze, Alexander R.; Clegg, Jack K.; Sciortino, Natasha F.; Arachchige, Kasun S Athukorala; Mustonen, Outi; Marjo, Christopher E.; McRae, Christopher R.; Kepert, Cameron J.; Lindoy, Leonard F.; Aldrich-Wright, Janice R; Li, Feng","Spin-State Patterning in an Iron(II) Tripodal Spin-Crossover Complex.","ACS omega","2017","2","7","3349","3353","10.1021/acsomega.7b00630","","","0.7108","silicondoublecrystalmonochromatedsynchrotron","","0.0842","0.0798","","","0.2385","0.2441","","","","","","1.095","","","","has coordinates,has disorder","239619","2020-10-21","18:00:00",""
"4516892","12.4742","0.0005","9.8102","0.0004","17.1419","0.0008","90","","103.499","0.002","90","","2039.78","0.15","296","2","296","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C23 H29 N O3 -","- C23 H29 N O3 -","- C92 H116 N4 O12 -","4","2","","Angamuthu, Venkatachalam; Chang, Wen-Jung; Hou, Duen-Ren","Anti-addition of Dimethylsulfoxonium Methylide to Acyclic α,β-Unsaturated Ketones and Its Application in Formal Synthesis of an Eicosanoid.","ACS omega","2017","2","8","4088","4099","10.1021/acsomega.7b00663","","","0.71073","MoKα","","0.087","0.0704","","","0.1821","0.1971","","","","","","1.054","","","","has coordinates","255262","2020-10-21","18:00:00",""
"4516893","8.095","0.002","14.812","0.004","15.641","0.004","66.874","0.012","76.588","0.014","77.346","0.014","1660.4","0.8","150","2","150","2","","","","","","","","5","P 1","P 1","1","","","","- C28 H50 Br2 N6 Pd -","- C28 H50 Br2 N6 Pd -","- C56 H100 Br4 N12 Pd2 -","2","2","","Kumar, Anuj; Naaz, Afsana; Prakasham, A. P.; Gangwar, Manoj Kumar; Butcher, Raymond J.; Panda, Dulal; Ghosh, Prasenjit","Potent Anticancer Activity with High Selectivity of a Chiral Palladium N-Heterocyclic Carbene Complex.","ACS omega","2017","2","8","4632","4646","10.1021/acsomega.7b00688","","","0.71075","MoKα","","0.033","0.0258","","","0.0529","0.055","","","","","","0.892","","","","has coordinates","239622","2020-10-21","18:00:00",""
"4516894","7.715","0.004","7.865","0.004","14.299","0.007","101.479","0.008","95.384","0.005","90.079","0.007","846.4","0.7","273","","273","","","","","","","","","5","P 1","P 1","1","","","","- C30 H50 Br2 N6 Pd -","- C30 H50 Br2 N6 Pd -","- C30 H50 Br2 N6 Pd -","1","1","","Kumar, Anuj; Naaz, Afsana; Prakasham, A. P.; Gangwar, Manoj Kumar; Butcher, Raymond J.; Panda, Dulal; Ghosh, Prasenjit","Potent Anticancer Activity with High Selectivity of a Chiral Palladium N-Heterocyclic Carbene Complex.","ACS omega","2017","2","8","4632","4646","10.1021/acsomega.7b00688","","","0.7107","MoKα","","","0.0553","","","","0.1204","","","","","","1.151","","","","has coordinates","239622","2020-10-21","18:00:00",""
"4516895","7.706","0.0015","7.8581","0.0016","14.256","0.003","101.44","0.03","95.42","0.03","90.11","0.03","842.1","0.3","150","2","150","2","","","","","","","","5","P 1","P 1","1","","","","- C30 H50 Br2 N6 Pd -","- C30 H50 Br2 N6 Pd -","- C30 H50 Br2 N6 Pd -","1","1","","Kumar, Anuj; Naaz, Afsana; Prakasham, A. P.; Gangwar, Manoj Kumar; Butcher, Raymond J.; Panda, Dulal; Ghosh, Prasenjit","Potent Anticancer Activity with High Selectivity of a Chiral Palladium N-Heterocyclic Carbene Complex.","ACS omega","2017","2","8","4632","4646","10.1021/acsomega.7b00688","","","0.71073","MoKα","","0.0491","0.0373","","","0.067","0.073","","","","","","0.929","","","","has coordinates","239622","2020-10-21","18:00:00",""
"4516896","11.565","0.003","13.039","0.003","13.719","0.003","98.396","0.004","95.925","0.004","101.192","0.003","1989.1","0.8","150","2","150.15","","","","","","","","","5","P 1","P 1","1","","","","- C38 H54 Br2 N6 Pd -","- C38 H54 Br2 N6 Pd -","- C76 H108 Br4 N12 Pd2 -","2","2","","Kumar, Anuj; Naaz, Afsana; Prakasham, A. P.; Gangwar, Manoj Kumar; Butcher, Raymond J.; Panda, Dulal; Ghosh, Prasenjit","Potent Anticancer Activity with High Selectivity of a Chiral Palladium N-Heterocyclic Carbene Complex.","ACS omega","2017","2","8","4632","4646","10.1021/acsomega.7b00688","","","0.71075","MoKα","","0.0564","0.0369","","","0.0823","0.0994","","","","","","1.086","","","","has coordinates","254431","2020-10-21","18:00:00",""
"4516897","18.899","0.005","11.212","0.003","27.511","0.007","90","","95.294","0.004","90","","5805","3","150","2","150.15","","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C32 H50 F6 N6 O4 Pd -","- C32 H50 F6 N6 O4 Pd -","- C192 H300 F36 N36 O24 Pd6 -","6","3","","Kumar, Anuj; Naaz, Afsana; Prakasham, A. P.; Gangwar, Manoj Kumar; Butcher, Raymond J.; Panda, Dulal; Ghosh, Prasenjit","Potent Anticancer Activity with High Selectivity of a Chiral Palladium N-Heterocyclic Carbene Complex.","ACS omega","2017","2","8","4632","4646","10.1021/acsomega.7b00688","","","0.71075","MoKα","","0.0854","0.0719","","","0.1488","0.1591","","","","","","1.057","","","","has coordinates","254431","2020-10-21","18:00:00",""
"4516898","9.734","0.006","20.3275","0.001","11.937","0.007","90","","109.531","0.008","90","","2226","1.9","150","2","150","2","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C42 H54 F6 N6 O4 Pd -","- C42 H54 F6 N6 O4 Pd -","- C84 H108 F12 N12 O8 Pd2 -","2","1","","Kumar, Anuj; Naaz, Afsana; Prakasham, A. P.; Gangwar, Manoj Kumar; Butcher, Raymond J.; Panda, Dulal; Ghosh, Prasenjit","Potent Anticancer Activity with High Selectivity of a Chiral Palladium N-Heterocyclic Carbene Complex.","ACS omega","2017","2","8","4632","4646","10.1021/acsomega.7b00688","","","0.7107","MoKα","","0.0887","0.0763","","","0.1545","0.1766","","","","","","1.044","","","","has coordinates","276342","2022-06-28","16:10:47",""
"4516899","10.561","0.002","11.169","0.002","16.133","0.003","90","","92.303","0.003","90","","1901.4","0.6","100","2","100.15","","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C32 H50 F6 N6 O4 Pd -","- C32 H50 F6 N6 O4 Pd -","- C64 H100 F12 N12 O8 Pd2 -","2","1","","Kumar, Anuj; Naaz, Afsana; Prakasham, A. P.; Gangwar, Manoj Kumar; Butcher, Raymond J.; Panda, Dulal; Ghosh, Prasenjit","Potent Anticancer Activity with High Selectivity of a Chiral Palladium N-Heterocyclic Carbene Complex.","ACS omega","2017","2","8","4632","4646","10.1021/acsomega.7b00688","","","0.7107","MoKα","","0.0443","0.0397","","","0.0793","0.0829","","","","","","1.03","","","","has coordinates","239622","2020-10-21","18:00:00",""
"4516900","9.702","0.003","20.111","0.006","11.874","0.004","90","","109.578","0.003","90","","2182.9","1.2","100","2","100.15","","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C42 H54 F6 N6 O4 Pd -","- C42 H54 F6 N6 O4 Pd -","- C84 H108 F12 N12 O8 Pd2 -","2","1","","Kumar, Anuj; Naaz, Afsana; Prakasham, A. P.; Gangwar, Manoj Kumar; Butcher, Raymond J.; Panda, Dulal; Ghosh, Prasenjit","Potent Anticancer Activity with High Selectivity of a Chiral Palladium N-Heterocyclic Carbene Complex.","ACS omega","2017","2","8","4632","4646","10.1021/acsomega.7b00688","","","0.7107","MoKα","","0.0902","0.0571","","","0.0925","0.1186","","","","","","0.857","","","","has coordinates","239622","2020-10-21","18:00:00",""
"4516901","15.892","0.003","7.5837","0.0015","17.555","0.004","90","","90.64","0.03","90","","2115.6","0.8","170","2","170","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C30 H19 Br -","- C30 H19 Br -","- C120 H76 Br4 -","4","1","","Dhangar, Gopal; Serrano, Jose Luis; Schulzke, Carola; Gunturu, Krishna Chaitanya; Kapdi, Anant R.","Palladacycle-Catalyzed Triple Suzuki Coupling Strategy for the Synthesis of Anthracene-Based OLED Emitters.","ACS omega","2017","2","7","3144","3156","10.1021/acsomega.7b00725","","","0.71073","MoKα","","0.0707","0.042","","","0.1026","0.1173","","","","","","0.961","","","","has coordinates","239623","2020-10-21","18:00:00",""
"4516902","10.37","0.002","16.668","0.004","13.0761","0.0018","90","","124.978","0.01","90","","1851.9","0.7","293","2","293","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C18 H30 O6 -","- C18 H30 O6 -","- C72 H120 O24 -","4","1","","Zhu, Jing; Yuan, Yi; Wang, Shaozhong; Yao, Zhu-Jun","Synthesis of 2,3-Dialkylated Tartaric Acid Esters via Visible Light Photoredox-Catalyzed Reductive Dimerization of α-Ketoesters.","ACS omega","2017","2","8","4665","4677","10.1021/acsomega.7b00749","","","0.71073","MoKα","","0.1227","0.0678","","","0.1821","0.212","","","","","","1.054","","","","has coordinates","239624","2020-10-21","18:00:00",""
"4516903","39.0066","0.0013","22.1515","0.0006","21.675","0.0006","90","","107.667","0.0012","90","","17845.1","0.9","173","2","173","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C27 H23.15 N O4.07 -","- C27 H23.1495 N O4.07475 -","- C864 H740.784 N32 O130.392 -","32","4","","Saito, Koya; Yoshida, Masahito; Uekusa, Hidehiro; Doi, Takayuki","Facile Synthesis of Pyrrolyl 4-Quinolinone Alkaloid Quinolactacide by 9-AJ-Catalyzed Tandem Acyl Transfer-Cyclization of <i>o</i>-Alkynoylaniline Derivatives.","ACS omega","2017","2","8","4370","4381","10.1021/acsomega.7b00793","","","0.71073","MoKα","","0.1405","0.0655","","","0.1527","0.2233","","","","","","0.994","","","","has coordinates","239625","2020-10-21","18:00:00",""
"4516904","8.1717","0.0014","8.2522","0.0014","10.8564","0.0018","79.563","0.002","89.113","0.002","83.6","0.002","715.5","0.2","296","2","296","2","","","","","","","","5","P -1","-P 1","2","","","","- C14 H12 Cl N2 O6 -","- C14 H11 Cl N2 O6 -","- C28 H22 Cl2 N4 O12 -","2","1","","Oruganti, Madhavi; Nechipadappu, Sunil Kumar; Khade, Pavan A.; Trivedi, Darshak R.","Solid-State Versatility of the Molecular Salts/Cocrystals of 2-Chloro-4-nitrobenzoic Acid: A Case Study on Halogen Bonds.","ACS omega","2017","2","10","7146","7162","10.1021/acsomega.7b00878","","","0.71073","MoKα","","0.0594","0.0468","","","0.1341","0.1446","","","","","","0.922","","","","has coordinates","239626","2020-10-21","18:00:00",""
"4516905","10.856","0.003","11.154","0.003","14.213","0.003","106.325","0.003","104.731","0.003","106.209","0.003","1479","0.7","296","2","296","2","","","","","","","","5","P -1","-P 1","2","","","","- C14 H12 Cl N2 O6.5 -","- C14 H12 Cl N2 O6.5 -","- C56 H48 Cl4 N8 O26 -","4","2","","Oruganti, Madhavi; Nechipadappu, Sunil Kumar; Khade, Pavan A.; Trivedi, Darshak R.","Solid-State Versatility of the Molecular Salts/Cocrystals of 2-Chloro-4-nitrobenzoic Acid: A Case Study on Halogen Bonds.","ACS omega","2017","2","10","7146","7162","10.1021/acsomega.7b00878","","","0.71073","MoKα","","0.053","0.0438","","","0.151","0.1567","","","","","","1.149","","","","has coordinates","251896","2020-10-21","18:00:00",""
"4516906","7.2428","0.0003","13.052","0.0006","29.5375","0.0013","90","","90","","90","","2792.3","0.2","293","2","293","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C14 H11 Cl N2 O6 -","- C14 H11 Cl N2 O6 -","- C112 H88 Cl8 N16 O48 -","8","1","","Oruganti, Madhavi; Nechipadappu, Sunil Kumar; Khade, Pavan A.; Trivedi, Darshak R.","Solid-State Versatility of the Molecular Salts/Cocrystals of 2-Chloro-4-nitrobenzoic Acid: A Case Study on Halogen Bonds.","ACS omega","2017","2","10","7146","7162","10.1021/acsomega.7b00878","","","0.71073","MoKα","","0.0516","0.0449","","","0.1616","0.167","","","","","","1.354","","","","has coordinates","239626","2020-10-21","18:00:00",""
"4516907","7.0003","0.0011","8.2219","0.0019","10.5516","0.0017","85.243","0.003","78.471","0.002","79.703","0.002","584.77","0.19","296","2","296","2","","","","","","","","6","P -1","-P 1","2","","","","- C10 H8 Cl N3 O4 S -","- C10 H8 Cl N3 O4 S -","- C20 H16 Cl2 N6 O8 S2 -","2","1","","Oruganti, Madhavi; Nechipadappu, Sunil Kumar; Khade, Pavan A.; Trivedi, Darshak R.","Solid-State Versatility of the Molecular Salts/Cocrystals of 2-Chloro-4-nitrobenzoic Acid: A Case Study on Halogen Bonds.","ACS omega","2017","2","10","7146","7162","10.1021/acsomega.7b00878","","","0.71073","MoKα","","0.0294","0.0265","","","0.0659","0.067","","","","","","1.263","","","","has coordinates","239626","2020-10-21","18:00:00",""
"4516908","11.7902","0.0005","11.311","0.0005","12.3892","0.0006","90","","109.79","0.001","90","","1554.63","0.12","296","2","296","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C14 H11 Cl N4 O4 -","- C14 H11 Cl N4 O4 -","- C56 H44 Cl4 N16 O16 -","4","1","","Oruganti, Madhavi; Nechipadappu, Sunil Kumar; Khade, Pavan A.; Trivedi, Darshak R.","Solid-State Versatility of the Molecular Salts/Cocrystals of 2-Chloro-4-nitrobenzoic Acid: A Case Study on Halogen Bonds.","ACS omega","2017","2","10","7146","7162","10.1021/acsomega.7b00878","","","0.71073","MoKα","","0.0661","0.0495","","","0.136","0.1422","","","","","","1.525","","","","has coordinates","239626","2020-10-21","18:00:00",""
"4516909","6.795","0.0005","7.4766","0.0005","13.7306","0.0009","77.211","0.004","88.2","0.004","69.323","0.004","635.6","0.08","296","2","296","2","","","","","","","","5","P -1","-P 1","2","","","","- C11 H9 Cl N4 O4 -","- C11 H9 Cl N4 O4 -","- C22 H18 Cl2 N8 O8 -","2","1","","Oruganti, Madhavi; Nechipadappu, Sunil Kumar; Khade, Pavan A.; Trivedi, Darshak R.","Solid-State Versatility of the Molecular Salts/Cocrystals of 2-Chloro-4-nitrobenzoic Acid: A Case Study on Halogen Bonds.","ACS omega","2017","2","10","7146","7162","10.1021/acsomega.7b00878","","","0.71073","MoKα","","0.0771","0.0726","","","0.2368","0.2463","","","","","","1.447","","","","has coordinates","239626","2020-10-21","18:00:00",""
"4516910","5.7224","0.0004","10.5903","0.0007","11.2992","0.0007","95.938","0.001","103.751","0.001","94.742","0.001","657.47","0.08","296","2","296","2","","","","","","","","5","P -1","-P 1","2","","","","- C12 H10 Cl N3 O4 -","- C12 H10 Cl N3 O4 -","- C24 H20 Cl2 N6 O8 -","2","1","","Oruganti, Madhavi; Nechipadappu, Sunil Kumar; Khade, Pavan A.; Trivedi, Darshak R.","Solid-State Versatility of the Molecular Salts/Cocrystals of 2-Chloro-4-nitrobenzoic Acid: A Case Study on Halogen Bonds.","ACS omega","2017","2","10","7146","7162","10.1021/acsomega.7b00878","","","0.71073","MoKα","","0.0384","0.0319","","","0.0878","0.0955","","","","","","0.625","","","","has coordinates","239626","2020-10-21","18:00:00",""
"4516911","5.9445","0.0003","10.739","0.0005","10.9139","0.0005","98.91","0.002","95.465","0.002","105.836","0.002","655.22","0.05","296","2","296","2","","","","","","","","5","P -1","-P 1","2","","","","- C12 H10 Cl N3 O4 -","- C12 H10 Cl N3 O4 -","- C24 H20 Cl2 N6 O8 -","2","1","","Oruganti, Madhavi; Nechipadappu, Sunil Kumar; Khade, Pavan A.; Trivedi, Darshak R.","Solid-State Versatility of the Molecular Salts/Cocrystals of 2-Chloro-4-nitrobenzoic Acid: A Case Study on Halogen Bonds.","ACS omega","2017","2","10","7146","7162","10.1021/acsomega.7b00878","","","0.71073","MoKα","","0.0363","0.0326","","","0.1155","0.1208","","","","","","0.951","","","","has coordinates","239626","2020-10-21","18:00:00",""
"4516912","8.281","0.003","27.212","0.008","5.4812","0.0016","90","","90","","90","","1235.1","0.7","150","2","150","2","","","","","","","","4","P n a 21","P 2c -2n","33","","","","- C15 H11 Br N2 -","- C15 H11 Br N2 -","- C60 H44 Br4 N8 -","4","1","","Reddy, N. Naresh Kumar; Nageswara Rao, Sadu; Ravi, Chitrakar; Adimurthy, Subbarayappa","Catalyst-Free Synthesis of 2,4-Disubstituted-1<i>H</i>-imidazoles through [3 + 2] Cyclization of Vinyl Azides with Amidines.","ACS omega","2017","2","8","5235","5241","10.1021/acsomega.7b00969","","","0.71073","MoKα","","0.0876","0.0576","","","0.1238","0.1334","","","","","","0.969","","","","has coordinates","239627","2020-10-21","18:00:00",""
"4516913","25.456","0.0003","5.6041","0.0001","16.3636","0.0002","90","","97.0043","0.0004","90","","2316.98","0.06","100","","100","","","","","","","","Synthesized by the authors. See text","5","C 1 2/c 1","-C 2yc","15","","","","- C24 H20 N4 O8 S2 -","- C24 H20 N4 O8 S2 -","- C96 H80 N16 O32 S8 -","4","0.5","","Langis-Barsetti, Sophie; Maris, Thierry; Wuest, James D.","Synthesis of Salts of 1,2,5,6- and 1,4,5,8-Naphthalenetetramine.","ACS omega","2017","2","9","6023","6030","10.1021/acsomega.7b01055","","","1.54178","CuKα","","0.0324","0.0318","","","0.086","0.0866","","","","","","1.071","","","","has coordinates","239628","2020-10-21","18:00:00",""
"4516914","16.095","0.004","21.593","0.005","8.257","0.002","90","","101.741","0.011","90","","2809.6","1.2","150","","150","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","Bis(phenylmethyl) 2,8-Dinitro-1,5-naphthalenediylcarbamate THF solvate","","- C30 H28 N4 O9 -","- C30 H28 N4 O9 -","- C120 H112 N16 O36 -","4","1","","Langis-Barsetti, Sophie; Maris, Thierry; Wuest, James D.","Synthesis of Salts of 1,2,5,6- and 1,4,5,8-Naphthalenetetramine.","ACS omega","2017","2","9","6023","6030","10.1021/acsomega.7b01055","","x-ray","1.34139","GaKα","","0.1921","0.0978","","","0.2271","0.2893","","","","","","1.013","","","","has coordinates,has disorder","239629","2020-10-21","18:00:00",""
"4516915","9.2281","0.0003","10.7423","0.0004","15.1969","0.0005","81.895","0.002","84.293","0.002","76.469","0.002","1446.58","0.09","150","","150","","","","","","","","","5","P -1","-P 1","2","","","","- C28 H28 N4 O9 S2 -","- C28 H28 N4 O9 S2 -","- C56 H56 N8 O18 S4 -","2","1","","Langis-Barsetti, Sophie; Maris, Thierry; Wuest, James D.","Synthesis of Salts of 1,2,5,6- and 1,4,5,8-Naphthalenetetramine.","ACS omega","2017","2","9","6023","6030","10.1021/acsomega.7b01055","","x-ray","1.34139","GaKα","","0.0416","0.0355","","","0.0896","0.0935","","","","","","1.044","","","","has coordinates","239630","2020-10-21","18:00:00",""
"4516916","21.374","0.002","5.9585","0.0005","10.0311","0.0008","90","","92.402","0.004","90","","1276.41","0.19","150","","150.15","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C26 H20 N4 O8 -","- C26 H20 N4 O8 -","- C52 H40 N8 O16 -","2","0.5","","Langis-Barsetti, Sophie; Maris, Thierry; Wuest, James D.","Synthesis of Salts of 1,2,5,6- and 1,4,5,8-Naphthalenetetramine.","ACS omega","2017","2","9","6023","6030","10.1021/acsomega.7b01055","","","1.54178","CuKα","","0.1263","0.1112","","","0.3257","0.3528","","","","","","1.537","","","","has coordinates,has disorder","239631","2020-10-21","18:00:00",""
"4516917","19.6145","0.0005","15.4076","0.0004","16.3628","0.0004","90","","90","","90","","4945","0.2","100","2","100","2","","","","","","","","7","P n a 21","P 2c -2n","33","","(Δ,Λ)-tetrakis(bis(bis((2-pyridylmethylamino)ethanethiolato- N,N',μ~2~-S)zinc(ii))zinc(ii) diperchlorate acetonitrile solvate","","- C36 H50 Cl2 N10 O8 S4 Zn3 -","- C36 H50 Cl2 N10 O8 S4 Zn3 -","- C144 H200 Cl8 N40 O32 S16 Zn12 -","4","1","","Hallinger, Madeline R.; Gerhard, Alison C.; Ritz, Mikhaila D.; Sacks, Joshua S.; Poutsma, John C.; Pike, Robert D.; Wojtas, Lukasz; Bebout, Deborah C.","Metal Substitution and Solvomorphism in Alkylthiolate-Bridged Zn<sub>3</sub> and HgZn<sub>2</sub> Metal Clusters.","ACS omega","2017","2","10","6391","6404","10.1021/acsomega.7b01087","","","1.54178","CuKα","","0.0191","0.0189","","","0.049","0.0491","","","","","","1.072","","","","has coordinates","239632","2020-10-21","18:00:00",""
"4516918","17.0064","0.0003","17.0064","0.0003","15.328","0.0003","90","","90","","90","","4433.13","0.14","100","2","100","2","","","","","","","","8","I -4","I -4","82","","(meso-Δ,Λ)-tetrakis(bis(bis((2-pyridylmethylamino)ethanethiolato- N,N',μ~2~-S)zinc(ii))mercury(ii) diperchlorate bishydrate","","- C32 H48 Cl2 Hg N8 O10 S4 Zn2 -","- C32 H48 Cl2 Hg N8 O10 S4 Zn2 -","- C128 H192 Cl8 Hg4 N32 O40 S16 Zn8 -","4","0.5","","Hallinger, Madeline R.; Gerhard, Alison C.; Ritz, Mikhaila D.; Sacks, Joshua S.; Poutsma, John C.; Pike, Robert D.; Wojtas, Lukasz; Bebout, Deborah C.","Metal Substitution and Solvomorphism in Alkylthiolate-Bridged Zn<sub>3</sub> and HgZn<sub>2</sub> Metal Clusters.","ACS omega","2017","2","10","6391","6404","10.1021/acsomega.7b01087","","","1.54178","CuKα","","0.0578","0.0562","","","0.1381","0.1394","","","","","","1.133","","","","has coordinates,has disorder","239632","2020-10-21","18:00:00",""
"4516919","34.6454","0.0015","14.5668","0.0007","22.3937","0.001","90","","102.175","0.001","90","","11047.3","0.9","100","2","100","2","","","","","","","","8","C 1 2/c 1","-C 2yc","15","","(racemic-ΔΔ,ΛΛ)-tetrakis(bis(bis((2-pyridylmethylamino)ethanethiolato- N,N',μ~2~-S)zinc(ii))mercury(ii) diperchlorate acetonitrile toluene solvate","","- C43.25 H59 Cl2 Hg N11 O8 S4 Zn2 -","- C43.25 H59 Cl2 Hg N11 O8 S4 Zn2 -","- C346 H472 Cl16 Hg8 N88 O64 S32 Zn16 -","8","1","","Hallinger, Madeline R.; Gerhard, Alison C.; Ritz, Mikhaila D.; Sacks, Joshua S.; Poutsma, John C.; Pike, Robert D.; Wojtas, Lukasz; Bebout, Deborah C.","Metal Substitution and Solvomorphism in Alkylthiolate-Bridged Zn<sub>3</sub> and HgZn<sub>2</sub> Metal Clusters.","ACS omega","2017","2","10","6391","6404","10.1021/acsomega.7b01087","","","0.71073","MoKα","","0.0366","0.0285","","","0.0658","0.0697","","","","","","1.039","","","","has coordinates,has disorder","239632","2020-10-21","18:00:00",""
"4516920","9.59","0.0002","17.3124","0.0004","18.5657","0.0005","109.74","0.001","101.536","0.001","101.986","0.001","2713.11","0.12","100","2","100","2","","","","","","","","8","P -1","-P 1","2","","(racemic-ΔΔ,ΛΛ)-tetrakis(bis(bis((2-pyridylmethylamino)ethanethiolato- N,N',μ~2~-S)zinc(ii))mercury(ii) diperchlorate acetonitrile toluene solvate","","- C44.5 H59 Cl2 Hg N9 O8 S4 Zn2 -","- C44.5 H59 Cl2 Hg N9 O8 S4 Zn2 -","- C89 H118 Cl4 Hg2 N18 O16 S8 Zn4 -","2","1","","Hallinger, Madeline R.; Gerhard, Alison C.; Ritz, Mikhaila D.; Sacks, Joshua S.; Poutsma, John C.; Pike, Robert D.; Wojtas, Lukasz; Bebout, Deborah C.","Metal Substitution and Solvomorphism in Alkylthiolate-Bridged Zn<sub>3</sub> and HgZn<sub>2</sub> Metal Clusters.","ACS omega","2017","2","10","6391","6404","10.1021/acsomega.7b01087","","","1.54178","CuKα","","0.0474","0.044","","","0.1444","0.1499","","","","","","1.092","","","","has coordinates,has disorder","239632","2020-10-21","18:00:00",""
"4516921","10.2995","0.0003","14.7078","0.0004","16.5684","0.0004","87.079","0.001","87.966","0.002","75.654","0.001","2427.73","0.11","100","2","100","2","","","","","","","","8","P -1","-P 1","2","","(Δ,Λ)-tetrakis(bis(bis((2-pyridylmethylamino)ethanethiolato- N,N',μ~2~-S)zinc(ii))mercury(ii) diperchlorate acetonitrile toluene solvate","","- C75 H102 Cl4 Hg2 N18 O16 S8 Zn4 -","- C75 H102 Cl4 Hg2 N18 O16 S8 Zn4 -","- C75 H102 Cl4 Hg2 N18 O16 S8 Zn4 -","1","0.5","","Hallinger, Madeline R.; Gerhard, Alison C.; Ritz, Mikhaila D.; Sacks, Joshua S.; Poutsma, John C.; Pike, Robert D.; Wojtas, Lukasz; Bebout, Deborah C.","Metal Substitution and Solvomorphism in Alkylthiolate-Bridged Zn<sub>3</sub> and HgZn<sub>2</sub> Metal Clusters.","ACS omega","2017","2","10","6391","6404","10.1021/acsomega.7b01087","","","1.54178","CuKα","","0.0436","0.0403","","","0.103","0.1065","","","","","","1.077","","","","has coordinates,has disorder","239632","2020-10-21","18:00:00",""
"4516922","10.6004","0.0009","15.5825","0.0012","14.5579","0.0012","90","","91.269","0.001","90","","2404.1","0.3","100","2","100","2","","","","","","","","8","P 1 2/n 1","-P 2yac","13","","(Δ,Λ)-tetrakis(bis(bis((2-pyridylmethylamino)ethanethiolato- N,N',μ~2~-S)zinc(ii))mercury(ii) diperchlorate toluene solvate","","- C39 H52 Cl2 Hg N8 O8 S4 Zn2 -","- C39 H52 Cl2 Hg N8 O8 S4 Zn2 -","- C78 H104 Cl4 Hg2 N16 O16 S8 Zn4 -","2","0.5","","Hallinger, Madeline R.; Gerhard, Alison C.; Ritz, Mikhaila D.; Sacks, Joshua S.; Poutsma, John C.; Pike, Robert D.; Wojtas, Lukasz; Bebout, Deborah C.","Metal Substitution and Solvomorphism in Alkylthiolate-Bridged Zn<sub>3</sub> and HgZn<sub>2</sub> Metal Clusters.","ACS omega","2017","2","10","6391","6404","10.1021/acsomega.7b01087","","","0.71073","MoKα","","0.0427","0.0402","","","0.1304","0.1327","","","","","","1.133","","","","has coordinates,has disorder","239632","2020-10-21","18:00:00",""
"4516923","14.309","0.0009","5.7406","0.0006","19.1631","0.0009","90","","98.798","0.006","90","","1555.6","0.2","298","2","298","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C17 H12 N2 O6 -","- C17 H12 N2 O6 -","- C68 H48 N8 O24 -","4","1","","Bag, Raghunath; Sar, Dinabandhu; Punniyamurthy, Tharmalingam","Aerobic Metal-Free Dioxygenation of Alkenes with <i>tert</i>-Butyl Nitrite and <i>N</i>-Hydroxylamines.","ACS omega","2017","2","9","6278","6290","10.1021/acsomega.7b01111","","","0.71073","MoKα","","0.0818","0.0566","","","0.095","0.1076","","","","","","1.027","","","","has coordinates","239633","2020-10-21","18:00:00",""
"4516924","27.389","0.002","27.389","0.002","9.7549","0.0007","90","","90","","120","","6337.3","0.8","100","2","100","2","","","","","","","","5","P 3","P 3","143","","","","- C80 H120 N18 O16 S -","- C79.998 H119.995 N18 O16 S -","- C239.994 H359.985 N54 O48 S3 -","3","1","","Portis, Bobby; Mirchi, Ali; Emami Khansari, Maryam; Pramanik, Avijit; Johnson, Corey R.; Powell, Douglas R.; Leszczynski, Jerzy; Hossain, Md Alamgir","An Ideal <i>C</i><sub>3</sub>-Symmetric Sulfate Complex: Molecular Recognition of Oxoanions by <i>m</i>-Nitrophenyl- and Pentafluorophenyl-Functionalized Hexaurea Receptors.","ACS omega","2017","2","9","5840","5849","10.1021/acsomega.7b01115","","","0.71073","MoKα","","0.1024","0.071","","","0.1798","0.2007","","","","","","1.007","","","","has coordinates,has disorder","288505","2023-12-22","15:12:03",""
"4516925","7.7434","0.0003","12.1722","0.0005","20.2617","0.0007","95.227","0.003","93.915","0.002","98.882","0.002","1872.41","0.12","296","2","296","2","","","","","","","","4","P -1","-P 1","2","","","","- C18 H20 N4 O6 -","- C18 H20 N4 O6 -","- C72 H80 N16 O24 -","4","2","","Tarai, Arup; Baruah, Jubaraj B.","Conformation and Visual Distinction between Urea and Thiourea Derivatives by an Acetate Ion and a Hexafluorosilicate Cocrystal of the Urea Derivative in the Detection of Water in Dimethylsulfoxide.","ACS omega","2017","2","10","6991","7001","10.1021/acsomega.7b01217","","","0.71073","MoKα","","0.1107","0.0532","","","0.0966","0.1357","","","","","","1.081","","","","has coordinates","239635","2020-10-21","18:00:00",""
"4516926","8.8491","0.0007","10.9303","0.0015","10.9736","0.001","105.249","0.01","93.074","0.007","103.966","0.009","985.96","0.19","296","2","296","2","","","","","","","","4","P -1","-P 1","2","","","","- C19 H22 N4 O6 -","- C19 H22 N4 O6 -","- C38 H44 N8 O12 -","2","1","","Tarai, Arup; Baruah, Jubaraj B.","Conformation and Visual Distinction between Urea and Thiourea Derivatives by an Acetate Ion and a Hexafluorosilicate Cocrystal of the Urea Derivative in the Detection of Water in Dimethylsulfoxide.","ACS omega","2017","2","10","6991","7001","10.1021/acsomega.7b01217","","","0.71073","MoKα","","0.1879","0.0839","","","0.1332","0.173","","","","","","1.078","","","","has coordinates","239635","2020-10-21","18:00:00",""
"4516927","8.2476","0.0016","9.157","0.0017","13.002","0.003","80.729","0.015","80.544","0.014","80.501","0.014","946.2","0.3","296","2","296","2","","","","","","","","5","P -1","-P 1","2","","","","- C17 H19 N3 O6 S -","- C17 H19 N3 O6 S -","- C34 H38 N6 O12 S2 -","2","1","","Tarai, Arup; Baruah, Jubaraj B.","Conformation and Visual Distinction between Urea and Thiourea Derivatives by an Acetate Ion and a Hexafluorosilicate Cocrystal of the Urea Derivative in the Detection of Water in Dimethylsulfoxide.","ACS omega","2017","2","10","6991","7001","10.1021/acsomega.7b01217","","","0.71073","MoKα","","0.128","0.079","","","0.1689","0.1945","","","","","","1.069","","","","has coordinates","239635","2020-10-21","18:00:00",""
"4516928","8.9102","0.0006","9.9426","0.0007","11.7194","0.0008","91.392","0.004","104.2","0.004","106.984","0.004","957.44","0.12","296","2","296","2","","","","","","","","5","P -1","-P 1","2","","","","- C17 H19 N3 O5 S2 -","- C17 H19 N3 O5 S2 -","- C34 H38 N6 O10 S4 -","2","1","","Tarai, Arup; Baruah, Jubaraj B.","Conformation and Visual Distinction between Urea and Thiourea Derivatives by an Acetate Ion and a Hexafluorosilicate Cocrystal of the Urea Derivative in the Detection of Water in Dimethylsulfoxide.","ACS omega","2017","2","10","6991","7001","10.1021/acsomega.7b01217","","","0.71073","MoKα","","0.0941","0.0479","","","0.1255","0.1478","","","","","","1.01","","","","has coordinates","239635","2020-10-21","18:00:00",""
"4516929","13.6859","0.0006","17.7916","0.0007","30.7988","0.0014","93.988","0.004","96.865","0.004","109.357","0.004","6976.8","0.6","296","2","296","2","","","","","","","","6","P -1","-P 1","2","","","","- C62 H98 F6 N8 O10 Si -","- C62 H98 F6 N8 O10 Si -","- C248 H392 F24 N32 O40 Si4 -","4","2","","Tarai, Arup; Baruah, Jubaraj B.","Conformation and Visual Distinction between Urea and Thiourea Derivatives by an Acetate Ion and a Hexafluorosilicate Cocrystal of the Urea Derivative in the Detection of Water in Dimethylsulfoxide.","ACS omega","2017","2","10","6991","7001","10.1021/acsomega.7b01217","","","0.71073","MoKα","","0.1709","0.0935","","","0.1533","0.1862","","","","","","1.058","","","","has coordinates","239635","2020-10-21","18:00:00",""
"4516930","9.2162","0.0018","11.9031","0.0018","12.665","0.002","90","","95.002","0.015","90","","1384.1","0.4","293","","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C14 H16 Br N O2 -","- C14 H16 Br N O2 -","- C56 H64 Br4 N4 O8 -","4","1","","Zhang, Jie-Huan; Wang, Ru-Bing; Li, De-Feng; Zhao, Li-Ming","Green Method To Preparing Oxindole-Fused Spirotetrahydrofuran Scaffolds through Methanesulfonic Acid-Catalyzed Cyclization Reactions of 3-Allyl-3-hydroxy-2-oxindole in Water.","ACS omega","2017","2","10","7022","7028","10.1021/acsomega.7b01279","","x-ray","0.71073","MoKα","","0.1689","0.0914","","","0.2174","0.2791","","","","","","1.034","","","","has coordinates","258458","2020-10-21","18:00:00",""
"4516931","11.5855","0.0009","13.7576","0.0014","11.9138","0.0009","90","","111.058","0.002","90","","1772.1","0.3","173","2","173","2","","","","","","","synthesis as described","7","P 1 21 1","P 2yb","4","","","","- C30 H44 Cu2 I2 P2 Pt S2 -","- C30 H44 Cu2 I2 P2 Pt S2 -","- C60 H88 Cu4 I4 P4 Pt2 S4 -","2","1","","Juvenal, Frank; Bonnot, Antoine; Fortin, Daniel; Harvey, Pierre D.","The <i>trans</i>-Bis(<i>p</i>-thioetherphenylacetynyl)bis(phosphine)platinum(II) Ligands: A Step towards Predictability and Crystal Design.","ACS omega","2017","2","10","7433","7443","10.1021/acsomega.7b01352","","x-ray","0.71073","MoKα","","0.0266","0.0233","","","0.0568","0.0581","","","","","","1.144","","","","has coordinates","239637","2020-10-21","18:00:00",""
"4516932","9.1837","0.0017","9.7176","0.0018","10.067","0.002","101.961","0.005","97.001","0.005","90.11","0.004","872","0.3","173","2","173","2","","","","","","","","8","P 1","P 1","1","","","","- C28 H38 Br2 Cu2 N2 P2 Pt S2 -","- C28 H38 Br2 Cu2 N2 P2 Pt S2 -","- C28 H38 Br2 Cu2 N2 P2 Pt S2 -","1","1","","Juvenal, Frank; Bonnot, Antoine; Fortin, Daniel; Harvey, Pierre D.","The <i>trans</i>-Bis(<i>p</i>-thioetherphenylacetynyl)bis(phosphine)platinum(II) Ligands: A Step towards Predictability and Crystal Design.","ACS omega","2017","2","10","7433","7443","10.1021/acsomega.7b01352","","","0.71073","MoKα","","0.0408","0.0351","","","0.0804","0.0853","","","","","","1.093","","","","has coordinates","239638","2020-10-21","18:00:00",""
"4516933","9.1683","0.0016","9.6345","0.0017","10.0679","0.0018","101.983","0.003","96.491","0.003","90.18","0.003","864","0.3","173","2","173","2","","","","","","","synthesis as described","8","P -1","-P 1","2","","","","- C28 H38 Cl2 Cu2 N2 P2 Pt S2 -","- C28 H38 Cl2 Cu2 N2 P2 Pt S2 -","- C28 H38 Cl2 Cu2 N2 P2 Pt S2 -","1","0.5","","Juvenal, Frank; Bonnot, Antoine; Fortin, Daniel; Harvey, Pierre D.","The <i>trans</i>-Bis(<i>p</i>-thioetherphenylacetynyl)bis(phosphine)platinum(II) Ligands: A Step towards Predictability and Crystal Design.","ACS omega","2017","2","10","7433","7443","10.1021/acsomega.7b01352","","x-ray","0.71073","MoKα","","0.0186","0.0172","","","0.0405","0.0412","","","","","","1.038","","","","has coordinates","239639","2020-10-21","18:00:00",""
"4516934","8.724","0.004","9.467","0.005","11.201","0.005","98.149","0.015","102.16","0.009","116.678","0.011","777.9","0.7","173","2","173","2","","","","","","","","5","P 1","P 1","1","","","","- C30 H44 P2 Pt S2 -","- C30 H44 P2 Pt S2 -","- C30 H44 P2 Pt S2 -","1","1","","Juvenal, Frank; Bonnot, Antoine; Fortin, Daniel; Harvey, Pierre D.","The <i>trans</i>-Bis(<i>p</i>-thioetherphenylacetynyl)bis(phosphine)platinum(II) Ligands: A Step towards Predictability and Crystal Design.","ACS omega","2017","2","10","7433","7443","10.1021/acsomega.7b01352","","","0.71073","MoKα","","0.0149","0.0149","","","0.0381","0.0381","","","","","","1.169","","","","has coordinates","239640","2020-10-21","18:00:00",""
"4516935","9.11","0.002","9.191","0.002","12.721","0.003","69.754","0.005","85.301","0.005","63.395","0.004","890.1","0.3","173","2","173","2","","","","","","","synthesis as described","7","P -1","-P 1","2","","","","- C30 H44 Cl2 Cu2 P2 Pt S2 -","- C30 H44 Cl2 Cu2 P2 Pt S2 -","- C30 H44 Cl2 Cu2 P2 Pt S2 -","1","0.5","","Juvenal, Frank; Bonnot, Antoine; Fortin, Daniel; Harvey, Pierre D.","The <i>trans</i>-Bis(<i>p</i>-thioetherphenylacetynyl)bis(phosphine)platinum(II) Ligands: A Step towards Predictability and Crystal Design.","ACS omega","2017","2","10","7433","7443","10.1021/acsomega.7b01352","","x-ray","0.71073","MoKα","","0.0351","0.0303","","","0.0754","0.0773","","","","","","1.077","","","","has coordinates","239641","2020-10-21","18:00:00",""
"4516936","10.3208","0.0016","10.5678","0.0017","11.2817","0.0018","77.262","0.003","65.786","0.003","63.262","0.003","1001.2","0.3","173","2","173","2","","","","","","","synthesis as described","8","P -1","-P 1","2","","","","- C14 H19 Cu2 I2 N P Pt0.5 S -","- C14 H19 Cu2 I2 N P Pt0.5 S -","- C28 H38 Cu4 I4 N2 P2 Pt S2 -","2","1","","Juvenal, Frank; Bonnot, Antoine; Fortin, Daniel; Harvey, Pierre D.","The <i>trans</i>-Bis(<i>p</i>-thioetherphenylacetynyl)bis(phosphine)platinum(II) Ligands: A Step towards Predictability and Crystal Design.","ACS omega","2017","2","10","7433","7443","10.1021/acsomega.7b01352","","x-ray","0.71073","MoKα","","0.0273","0.0223","","","0.0512","0.0537","","","","","","1.16","","","","has coordinates","239642","2020-10-21","18:00:00",""
"4516937","11.995","0.006","12.221","0.008","12.496","0.008","71.77","0.02","84.647","0.014","62.2","0.05","1536","1.8","296","2","296","2","","","","","","","","5","P -1","-P 1","2","","","","- C38 H28 Cl2 N2 O4 -","- C38 H28 Cl2 N2 O4 -","- C76 H56 Cl4 N4 O8 -","2","1","","Shi, Rong-Guo; Sun, Jing; Yan, Chao-Guo","Tandem Double [3 + 2] Cycloaddition Reactions at Both C-1 and C-3 Atoms of <i>N</i>-Cyanomethylisoquinolinium Ylide.","ACS omega","2017","2","11","7820","7830","10.1021/acsomega.7b01391","","","0.71073","MoKα","","0.2434","0.0677","","","0.1185","0.1391","","","","","","0.957","","","","has coordinates","239643","2020-10-21","18:00:00",""
"4516938","11.8189","0.0015","12.2358","0.0015","12.625","0.0016","103.752","0.004","94.826","0.004","118.541","0.004","1515.5","0.3","296","2","296","2","","","","","","","","5","P -1","-P 1","2","","","","- C38 H26 Cl N3 O4 -","- C38 H26 Cl N3 O4 -","- C76 H52 Cl2 N6 O8 -","2","1","","Shi, Rong-Guo; Sun, Jing; Yan, Chao-Guo","Tandem Double [3 + 2] Cycloaddition Reactions at Both C-1 and C-3 Atoms of <i>N</i>-Cyanomethylisoquinolinium Ylide.","ACS omega","2017","2","11","7820","7830","10.1021/acsomega.7b01391","","","0.71073","MoKα","","0.0859","0.0496","","","0.1363","0.1498","","","","","","1.016","","","","has coordinates","239643","2020-10-21","18:00:00",""
"4516939","10.4573","0.0002","11.9728","0.0003","12.8415","0.0003","90","","93.954","0.001","90","","1603.97","0.06","100","2","100","2","","","","","","","synthesis as described","4","P 1 21/c 1","-P 2ybc","14","","","","- C20 H17 N3 S -","- C20 H17 N3 S -","- C80 H68 N12 S4 -","4","1","","Kuleshova, Olena; Khilya, Olga; Volovenko, Yulian; Mallet-Ladeira, Sonia; Dyakonenko, Viktoriya; Gras, Emmanuel","Expedited Route to Fully Substituted Amino-Pyrazole Building Blocks and Their Further Transformations.","ACS omega","2017","2","12","8911","8927","10.1021/acsomega.7b01419","","x-ray","0.71073","MoKα","","0.0379","0.0311","","","0.0879","0.0932","","","","","","1.084","","","","has coordinates","239644","2020-10-21","18:00:00",""
"4516940","7.7827","0.001","11.3884","0.0011","16.0505","0.0019","93.532","0.009","94.791","0.01","91.122","0.009","1414.5","0.3","293","2","293","2","","","","","","","","4","P -1","-P 1","2","","","","- C16 H15 N3 S -","- C16 H15 N3 S -","- C64 H60 N12 S4 -","4","2","","Kuleshova, Olena; Khilya, Olga; Volovenko, Yulian; Mallet-Ladeira, Sonia; Dyakonenko, Viktoriya; Gras, Emmanuel","Expedited Route to Fully Substituted Amino-Pyrazole Building Blocks and Their Further Transformations.","ACS omega","2017","2","12","8911","8927","10.1021/acsomega.7b01419","","x-ray","0.71073","MoKα","","0.1496","0.0609","","","0.0994","0.1275","","","","","","0.916","","","","has coordinates","239644","2020-10-21","18:00:00",""
"4516941","14.5736","0.0003","14.5736","0.0003","22.951","0.0013","90","","90","","90","","4874.6","0.3","293","","293","","","","","","","","","3","P 42/n b c :2","-P 4ac 2b","133","","","","- C14 H14 N4 -","- C14 H14 N4 -","- C224 H224 N64 -","16","1","","Kuleshova, Olena; Khilya, Olga; Volovenko, Yulian; Mallet-Ladeira, Sonia; Dyakonenko, Viktoriya; Gras, Emmanuel","Expedited Route to Fully Substituted Amino-Pyrazole Building Blocks and Their Further Transformations.","ACS omega","2017","2","12","8911","8927","10.1021/acsomega.7b01419","","","0.71073","MoKα","","0.1171","0.0521","","","0.1077","0.1275","","","","","","0.95","","","","has coordinates,has disorder","239644","2020-10-21","18:00:00",""
"4516942","7.9733","0.0002","7.9374","0.0002","25.4882","0.0005","90","","97.386","0.002","90","","1599.69","0.07","193","2","192.9","0.4","","","","","","","synthesis as described","3","P 1 21/c 1","-P 2ybc","14","","","","- C20 H18 N4 -","- C20 H18 N4 -","- C80 H72 N16 -","4","1","","Kuleshova, Olena; Khilya, Olga; Volovenko, Yulian; Mallet-Ladeira, Sonia; Dyakonenko, Viktoriya; Gras, Emmanuel","Expedited Route to Fully Substituted Amino-Pyrazole Building Blocks and Their Further Transformations.","ACS omega","2017","2","12","8911","8927","10.1021/acsomega.7b01419","","x-ray","0.71073","MoKα","","0.0432","0.0377","","","0.0932","0.0981","","","","","","1.049","","","","has coordinates","239644","2020-10-21","18:00:00",""
"4516943","9.5762","0.0006","9.9473","0.0006","10.8647","0.0007","111.404","0.002","112.175","0.002","99.826","0.002","833.26","0.09","180","2","180","2","","","","","","","synthesis as described","3","P -1","-P 1","2","","","","- C22 H19 N3 -","- C22 H19 N3 -","- C44 H38 N6 -","2","1","","Kuleshova, Olena; Khilya, Olga; Volovenko, Yulian; Mallet-Ladeira, Sonia; Dyakonenko, Viktoriya; Gras, Emmanuel","Expedited Route to Fully Substituted Amino-Pyrazole Building Blocks and Their Further Transformations.","ACS omega","2017","2","12","8911","8927","10.1021/acsomega.7b01419","","x-ray","0.71073","MoKα","","0.0815","0.0525","","","0.1289","0.1451","","","","","","1.027","","","","has coordinates","239644","2020-10-21","18:00:00",""
"4516944","7.6433","0.0006","20.2686","0.0014","8.686","0.0006","90","","112.654","0.002","90","","1241.81","0.16","180","2","180","2","","","","","","","synthesis as described","4","P 1 21/c 1","-P 2ybc","14","","","","- C15 H14 N4 O -","- C15 H14 N4 O -","- C60 H56 N16 O4 -","4","1","","Kuleshova, Olena; Khilya, Olga; Volovenko, Yulian; Mallet-Ladeira, Sonia; Dyakonenko, Viktoriya; Gras, Emmanuel","Expedited Route to Fully Substituted Amino-Pyrazole Building Blocks and Their Further Transformations.","ACS omega","2017","2","12","8911","8927","10.1021/acsomega.7b01419","","x-ray","0.71073","MoKα","","0.0573","0.0452","","","0.1216","0.1316","","","","","","1.042","","","","has coordinates","239644","2020-10-21","18:00:00",""
"4516945","8.7789","0.0002","11.5391","0.0003","15.1241","0.0004","90","","90","","90","","1532.08","0.07","180","2","180","2","","","","","","","synthesis as described","4","P 21 21 21","P 2ac 2ab","19","","","","- C15 H19 N5 S -","- C15 H19 N5 S -","- C60 H76 N20 S4 -","4","1","","Kuleshova, Olena; Khilya, Olga; Volovenko, Yulian; Mallet-Ladeira, Sonia; Dyakonenko, Viktoriya; Gras, Emmanuel","Expedited Route to Fully Substituted Amino-Pyrazole Building Blocks and Their Further Transformations.","ACS omega","2017","2","12","8911","8927","10.1021/acsomega.7b01419","","x-ray","0.71073","MoKα","","0.0371","0.0322","","","0.082","0.0856","","","","","","1.057","","","","has coordinates","239644","2020-10-21","18:00:00",""
"4516946","9.6381","0.0004","12.9175","0.0005","12.0791","0.0004","90","","110.705","0.001","90","","1406.72","0.09","193","2","193","2","","","","","","","synthesis as described","4","P 1 21/n 1","-P 2yn","14","","","","- C14 H17 N5 S -","- C14 H17 N5 S -","- C56 H68 N20 S4 -","4","1","","Kuleshova, Olena; Khilya, Olga; Volovenko, Yulian; Mallet-Ladeira, Sonia; Dyakonenko, Viktoriya; Gras, Emmanuel","Expedited Route to Fully Substituted Amino-Pyrazole Building Blocks and Their Further Transformations.","ACS omega","2017","2","12","8911","8927","10.1021/acsomega.7b01419","","","0.71073","MoKα","","0.0391","0.0336","","","0.0962","0.1","","","","","","1.063","","","","has coordinates","239644","2020-10-21","18:00:00",""
"4516947","10.449","0.0005","19.1742","0.0007","10.5635","0.0005","90","","110.663","0.005","90","","1980.27","0.17","180","2","180","2","","","","","","","synthesis as described","4","P 1 21/c 1","-P 2ybc","14","","","","- C19 H28 N6 O2 -","- C19 H28 N6 O2 -","- C76 H112 N24 O8 -","4","1","","Kuleshova, Olena; Khilya, Olga; Volovenko, Yulian; Mallet-Ladeira, Sonia; Dyakonenko, Viktoriya; Gras, Emmanuel","Expedited Route to Fully Substituted Amino-Pyrazole Building Blocks and Their Further Transformations.","ACS omega","2017","2","12","8911","8927","10.1021/acsomega.7b01419","","x-ray","0.71073","MoKα","","0.0666","0.0561","","","0.1531","0.1618","","","","","","1.069","","","","has coordinates","239644","2020-10-21","18:00:00",""
"4516948","18.9579","0.0011","15.4754","0.0009","20.0404","0.0012","90","","100.36","0.002","90","","5783.6","0.6","296","2","296","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C28 H28 Cl2 N4 O5 S -","- C28 H28 Cl2 N4 O5 S -","- C224 H224 Cl16 N32 O40 S8 -","8","1","","Bannigan, Pauric; Durack, Edel; Madden, Conor; Lusi, Matteo; Hudson, Sarah P.","Role of Biorelevant Dissolution Media in the Selection of Optimal Salt Forms of Oral Drugs: Maximizing the Gastrointestinal Solubility and in Vitro Activity of the Antimicrobial Molecule, Clofazimine.","ACS omega","2017","2","12","8969","8981","10.1021/acsomega.7b01454","","","0.71073","MoKα","","0.0772","0.0583","","","0.1475","0.1602","","","","","","1.038","","","","has coordinates","239645","2020-10-21","18:00:00",""
"4516949","14.3064","0.0009","15.1345","0.0009","27.9096","0.0017","96.495","0.002","92.025","0.002","110.64","0.002","5600.4","0.6","100","2","100","2","","","","","","","","6","P -1","-P 1","2","","","","- C27 H25 Cl2 N4 O4.25 P -","- C27 H25 Cl2 N4 O4.25 P -","- C216 H200 Cl16 N32 O34 P8 -","8","4","","Bannigan, Pauric; Durack, Edel; Madden, Conor; Lusi, Matteo; Hudson, Sarah P.","Role of Biorelevant Dissolution Media in the Selection of Optimal Salt Forms of Oral Drugs: Maximizing the Gastrointestinal Solubility and in Vitro Activity of the Antimicrobial Molecule, Clofazimine.","ACS omega","2017","2","12","8969","8981","10.1021/acsomega.7b01454","","","0.71073","MoKα","","0.1775","0.0961","","","0.1638","0.1911","","","","","","1.113","","","","has coordinates","239646","2020-10-21","18:00:00",""
"4516950","14.7409","0.0006","15.8211","0.0006","16.2514","0.0007","71.928","0.001","63.041","0.001","70.747","0.002","3130.6","0.2","296","2","296","2","","","","","","","","5","P -1","-P 1","2","","","","- C33 H30 Cl2 N4 O7 -","- C33 H30 Cl2 N4 O7 -","- C132 H120 Cl8 N16 O28 -","4","2","","Bannigan, Pauric; Durack, Edel; Madden, Conor; Lusi, Matteo; Hudson, Sarah P.","Role of Biorelevant Dissolution Media in the Selection of Optimal Salt Forms of Oral Drugs: Maximizing the Gastrointestinal Solubility and in Vitro Activity of the Antimicrobial Molecule, Clofazimine.","ACS omega","2017","2","12","8969","8981","10.1021/acsomega.7b01454","","","0.71073","MoKα","","0.1442","0.0629","","","0.1157","0.1413","","","","","","1.01","","","","has coordinates","239647","2020-10-21","18:00:00",""
"4516954","13.091","0.0005","12.8548","0.0007","8.1538","0.0005","90","","94.208","0.004","90","","1368.44","0.12","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C12 H16 Cl N O4 -","- C12 H16 Cl N O4 -","- C48 H64 Cl4 N4 O16 -","4","1","","Zhang, Zhiguo; Gao, Xiaolong; Yu, Haifeng; Bi, Jingjing; Zhang, Guisheng","Tandem Oxidative α-Hydroxylation/β-Acetalization Reaction of β-Ketoamides and Its Applications.","ACS omega","2017","2","11","7746","7754","10.1021/acsomega.7b01526","","x-ray","1.54184","CuKα","","0.0606","0.0509","","","0.1413","0.1532","","","","","","1.043","","","","has coordinates","239649","2020-10-21","18:00:00",""
"4516955","8.0644","0.0009","9.4449","0.0011","10.2338","0.0012","107.774","0.001","104.803","0.002","106.592","0.002","659.32","0.13","293","2","293","2","","","","","","","","4","P -1","-P 1","2","","","","- C16 H17 N O2 -","- C16 H17 N O2 -","- C32 H34 N2 O4 -","2","1","","Zuo, Youpeng; He, Xinwei; Ning, Yi; Wu, Yuhao; Shang, Yongjia","Rh(III)-Catalyzed C-H Activation/Intramolecular Cyclization: Access to <i>N</i>-Acyl-2,3-dihydro-1<i>H</i>-carbazol-4(9<i>H</i>)-ones from Cyclic 2-Diazo-1,3-diketones and <i>N</i>-Arylamides.","ACS omega","2017","2","11","8507","8516","10.1021/acsomega.7b01637","","","0.71073","MoKα","","0.0643","0.0439","","","0.1008","0.1108","","","","","","1.041","","","","has coordinates","239650","2020-10-21","18:00:00",""
"4516956","5.3885","0.0005","14.607","0.0014","21","0.002","90","","90","","90","","1652.9","0.3","293","2","293","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C21 H19 N O2 -","- C21 H19 N O2 -","- C84 H76 N4 O8 -","4","1","","Zuo, Youpeng; He, Xinwei; Ning, Yi; Wu, Yuhao; Shang, Yongjia","Rh(III)-Catalyzed C-H Activation/Intramolecular Cyclization: Access to <i>N</i>-Acyl-2,3-dihydro-1<i>H</i>-carbazol-4(9<i>H</i>)-ones from Cyclic 2-Diazo-1,3-diketones and <i>N</i>-Arylamides.","ACS omega","2017","2","11","8507","8516","10.1021/acsomega.7b01637","","","0.71073","MoKα","","0.0653","0.0587","","","0.1604","0.1683","","","","","","0.776","","","","has coordinates,has disorder","239651","2020-10-21","18:00:00",""
"4517008","19.0828","0.0012","11.0641","0.0005","21.971","0.0011","90","","99.81","0.005","90","","4571","0.4","173","","173","","","","","","","","","5","I 1 a 1","I -2ya","9","","","","- C22 H28 Na O9 S -","- C22 H28 Na O9 S -","- C176 H224 Na8 O72 S8 -","8","2","","Miles-Barrett, Daniel M.; Montgomery, James R. D.; Lancefield, Christopher S.; Cordes, David B.; Slawin, Alexandra M. Z.; Lebl, Tomas; Carr, Reuben; Westwood, Nicholas J.","Use of Bisulfite Processing To Generate High-β-O-4 Content Water-Soluble Lignosulfonates","ACS Sustainable Chemistry & Engineering","2017","5","2","1831","","10.1021/acssuschemeng.6b02566","","","1.54187","CuKα","","0.0699","0.0631","","","0.1738","0.181","","","","","","1.04","","","","has coordinates","289785","2024-02-12","08:29:28",""
"4517009","7.8249","0.0007","22.011","0.002","12.217","0.0011","90","","99.059","0.002","90","","2077.9","0.3","100","2","100","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C20 H15 Cl2 F N4 O8 -","- C20 H15 Cl2 F N4 O8 -","- C80 H60 Cl8 F4 N16 O32 -","4","1","","Chen, Liang; Huang, Rong; Du, Xuan-Xuan; Yan, Sheng-Jiao; Lin, Jun","One-Pot Synthesis of Highly Functionalized Bicyclic Imidazopyridinium Derivatives in Ethanol","ACS Sustainable Chemistry & Engineering","2017","5","2","1899","","10.1021/acssuschemeng.6b02622","","","0.71073","MoKα","","0.0509","0.0429","","","0.1057","0.111","","","","","","0.982","","","","has coordinates","239691","2020-10-21","18:00:00",""
"4517010","7.8228","0.0004","19.98","0.001","17.1179","0.0007","90","","91.087","0.001","90","","2675","0.2","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C28 H16 N O4 Zn -","- C28 H16 N O4 Zn -","- C112 H64 N4 O16 Zn4 -","4","1","","Zhao, Hongmei; Xia, Qiansu; Xing, Hongzhu; Chen, Dashu; Wang, Hong","Construction of Pillared-Layer MOF as Efficient Visible-Light Photocatalysts for Aqueous Cr(VI) Reduction and Dye Degradation","ACS Sustainable Chemistry & Engineering","2017","5","5","4449","","10.1021/acssuschemeng.7b00641","","","0.71073","MoKα","","0.0483","0.0313","","","0.0675","0.0762","","","","","","1.069","","","","has coordinates","239692","2020-10-21","18:00:00",""
"4517011","16.376","0.005","5.782","0.002","19.03","0.006","90","","100.86","0.03","90","","1769.6","1","100","2","100","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C21 H18 N2 O2 S -","- C21 H18 N2 O2 S -","- C84 H72 N8 O8 S4 -","4","1","","Pigulski, Bartłomiej; Cichos, Jakub; Szafert, Sławomir","Polyynes as Precursors of Photoluminescent Solvent Polarity Probes","ACS Sustainable Chemistry & Engineering","2017","5","8","7077","","10.1021/acssuschemeng.7b01274","","","1.54184","CuKα","","0.2546","0.086","","","0.189","0.2242","","","","","","0.61","","","","has coordinates,has disorder","239693","2020-10-21","18:00:00",""
"4517012","6.7039","0.0012","10.6697","0.0018","22.602","0.004","90","","90","","90","","1616.7","0.5","100","2","100","2","","","","","","","","5","P n n a","-P 2a 2bc","52","","","","- C16 H20 N2 O5 S -","- C16 H20 N2 O5 S -","- C64 H80 N8 O20 S4 -","4","0.5","","Mehrotra, Sonam; Raje, Sakthi; Jain, Anant Kumar; Angamuthu, Raja","Benzimidazolines Convert Sulfur Dioxide to Bisulfate at Room Temperature and Atmospheric Pressure Utilizing Aerial Oxygen","ACS Sustainable Chemistry & Engineering","2017","5","7","6322","","10.1021/acssuschemeng.7b01495","","","0.71073","MoKα","","0.1008","0.0648","","","0.1552","0.1754","","","","","","1.024","","","","has coordinates,has disorder","239694","2020-10-21","18:00:00",""
"4517013","10.8743","0.0008","12.9713","0.0009","13.3718","0.001","64.0149","0.0019","71.014","0.002","70.772","0.002","1564","0.2","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C20 H20 N5 O5 S -","- C15 H16 N2 O5 S -","- C60 H64 N8 O20 S4 -","4","2","","Mehrotra, Sonam; Raje, Sakthi; Jain, Anant Kumar; Angamuthu, Raja","Benzimidazolines Convert Sulfur Dioxide to Bisulfate at Room Temperature and Atmospheric Pressure Utilizing Aerial Oxygen","ACS Sustainable Chemistry & Engineering","2017","5","7","6322","","10.1021/acssuschemeng.7b01495","","","0.71073","MoKα","","0.0619","0.0439","","","0.1279","0.1427","","","","","","1.02","","","","has coordinates","239695","2020-10-21","18:00:00",""
"4517014","7.907","0.005","8.536","0.005","11.911","0.005","83.119","0.005","78.561","0.005","83.567","0.005","779.1","0.7","293","2","293","2","","","","","","","","6","P -1","-P 1","2","","","","- C14 H14 Br N3 O4 S -","- C14 H14 Br N3 O4 S -","- C28 H28 Br2 N6 O8 S2 -","2","1","","Mehrotra, Sonam; Raje, Sakthi; Jain, Anant Kumar; Angamuthu, Raja","Benzimidazolines Convert Sulfur Dioxide to Bisulfate at Room Temperature and Atmospheric Pressure Utilizing Aerial Oxygen","ACS Sustainable Chemistry & Engineering","2017","5","7","6322","","10.1021/acssuschemeng.7b01495","","","0.71073","MoKα","","0.0495","0.0428","","","0.1456","0.1523","","","","","","1.249","","","","has coordinates","239696","2020-10-21","18:00:00",""
"4517015","17.516","0.005","19.233","0.006","23.482","0.007","90","","90","","90","","7911","4","296","2","296","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C36 H34 Fe I2 N10 -","- C36 H34 Fe I2 N10 -","- C288 H272 Fe8 I16 N80 -","8","1","","Chen, Fei; Liu, Ning; Dai, Bin","Iron(II) Bis-CNN Pincer Complex-Catalyzed Cyclic Carbonate Synthesis at Room Temperature","ACS Sustainable Chemistry & Engineering","2017","5","10","9065","","10.1021/acssuschemeng.7b01990","","","0.71073","MoKα","","0.1288","0.0857","","","0.2502","0.2816","","","","","","0.992","","","","has coordinates","239697","2020-10-21","18:00:00",""
"4517016","12.549","0.007","7.632","0.007","16.158","0.01","90","","109.74","0.05","90","","1456.6","1.9","100","2","100","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C13 H9 N2 O4 Zn -","- C13 H9 N2 O4 Zn -","- C52 H36 N8 O16 Zn4 -","4","1","","Senthilkumar, S.; Goswami, Ranadip; Obasi, Nnamdi Lawrence; Neogi, Subhadip","Construction of Pillar-Layer Metal‒Organic Frameworks for CO2 Adsorption under Humid Climate: High Selectivity and Sensitive Detection of Picric Acid in Water","ACS Sustainable Chemistry & Engineering","2017","5","12","11307","","10.1021/acssuschemeng.7b02087","","","0.71073","MoKα","","0.0792","0.0601","","","0.1164","0.1493","","","","","","1.019","","","","has coordinates","239698","2020-10-21","18:00:00",""
"4517017","14.702","0.004","7.736","0.002","15.973","0.005","90","","107.124","0.007","90","","1736.1","0.9","100","2","100","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C13 H9 N3 O4 Zn -","- C13 H9 N3 O4 Zn -","- C52 H36 N12 O16 Zn4 -","4","1","","Senthilkumar, S.; Goswami, Ranadip; Obasi, Nnamdi Lawrence; Neogi, Subhadip","Construction of Pillar-Layer Metal‒Organic Frameworks for CO2 Adsorption under Humid Climate: High Selectivity and Sensitive Detection of Picric Acid in Water","ACS Sustainable Chemistry & Engineering","2017","5","12","11307","","10.1021/acssuschemeng.7b02087","","","0.71073","MoKα","","0.0897","0.0567","","","0.1133","0.1426","","","","","","0.935","","","","has coordinates","239698","2020-10-21","18:00:00",""
"4517018","35.331","0.002","7.6491","0.0004","16.0546","0.0008","90","","108.658","0.002","90","","4110.7","0.4","100","2","100","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C14 H10 N2 O4 Zn -","- C14 H10 N2 O4 Zn -","- C112 H80 N16 O32 Zn8 -","8","1","","Senthilkumar, S.; Goswami, Ranadip; Obasi, Nnamdi Lawrence; Neogi, Subhadip","Construction of Pillar-Layer Metal‒Organic Frameworks for CO2 Adsorption under Humid Climate: High Selectivity and Sensitive Detection of Picric Acid in Water","ACS Sustainable Chemistry & Engineering","2017","5","12","11307","","10.1021/acssuschemeng.7b02087","","","0.71073","MoKα","","0.0519","0.0354","","","0.0814","0.086","","","","","","0.959","","","","has coordinates","239698","2020-10-21","18:00:00",""
"4517019","5.535","0.002","19.583","0.009","11.673","0.005","90","","97.599","0.006","90","","1254.1","0.9","150","2","150","2","","","101.3","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C11 H7 N5 O7 -","- C11 H7 N5 O7 -","- C44 H28 N20 O28 -","4","1","","Senthilkumar, S.; Goswami, Ranadip; Obasi, Nnamdi Lawrence; Neogi, Subhadip","Construction of Pillar-Layer Metal‒Organic Frameworks for CO2 Adsorption under Humid Climate: High Selectivity and Sensitive Detection of Picric Acid in Water","ACS Sustainable Chemistry & Engineering","2017","5","12","11307","","10.1021/acssuschemeng.7b02087","","x-ray","0.71073","MoKα","","0.1075","0.0755","","","0.116","0.1652","","","","","","0.995","","","","has coordinates,has disorder","239698","2020-10-21","18:00:00",""
"4517020","11.2185","0.0003","13.1576","0.0004","13.44","0.0005","111.204","0.003","93.969","0.003","112.787","0.003","1653.87","0.12","150","2","150","2","","","","","","","","4","P -1","-P 1","2","","","","- C38 H36 N2 O7 -","- C38 H36 N2 O7 -","- C76 H72 N4 O14 -","2","1","","García-Montero, Angel; Rodriguez, Antonio M.; Juan, Alberto; Velders, Aldrik H.; Denisi, Antonio; Jiménez-Osés, Gonzalo; Gómez-Bengoa, Enrique; Cativiela, Carlos; Gómez, Maria Victoria; Urriolabeitia, Esteban P.","Metal-Free [2 + 2]-Photocycloaddition of (Z)-4-Aryliden-5(4H)-Oxazolones as Straightforward Synthesis of 1,3-Diaminotruxillic Acid Precursors: Synthetic Scope and Mechanistic Studies","ACS Sustainable Chemistry & Engineering","2017","5","9","8370","","10.1021/acssuschemeng.7b02140","","","0.71073","MoKα","","0.0421","0.0351","","","0.0802","0.0847","","","","","","1.021","","","","has coordinates","239699","2020-10-21","18:00:00",""
"4517021","7.5802","0.0004","9.6279","0.0006","10.5678","0.0009","69.46","0.007","73.023","0.006","68.198","0.005","658.87","0.09","150","2","150","2","","","","","","","","4","P -1","-P 1","2","","","","- C34 H26 N2 O4 -","- C34 H26 N2 O4 -","- C34 H26 N2 O4 -","1","0.5","","García-Montero, Angel; Rodriguez, Antonio M.; Juan, Alberto; Velders, Aldrik H.; Denisi, Antonio; Jiménez-Osés, Gonzalo; Gómez-Bengoa, Enrique; Cativiela, Carlos; Gómez, Maria Victoria; Urriolabeitia, Esteban P.","Metal-Free [2 + 2]-Photocycloaddition of (Z)-4-Aryliden-5(4H)-Oxazolones as Straightforward Synthesis of 1,3-Diaminotruxillic Acid Precursors: Synthetic Scope and Mechanistic Studies","ACS Sustainable Chemistry & Engineering","2017","5","9","8370","","10.1021/acssuschemeng.7b02140","","","0.71073","MoKα","","0.0479","0.0382","","","0.0911","0.0966","","","","","","1.025","","","","has coordinates","239699","2020-10-21","18:00:00",""
"4517022","13.9228","0.0005","17.8301","0.0006","16.472","0.0007","90","","111.643","0.005","90","","3800.8","0.3","150","2","150","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C38 H34 Cl4 N2 O8 -","- C38 H34 Cl4 N2 O8 -","- C152 H136 Cl16 N8 O32 -","4","1","","García-Montero, Angel; Rodriguez, Antonio M.; Juan, Alberto; Velders, Aldrik H.; Denisi, Antonio; Jiménez-Osés, Gonzalo; Gómez-Bengoa, Enrique; Cativiela, Carlos; Gómez, Maria Victoria; Urriolabeitia, Esteban P.","Metal-Free [2 + 2]-Photocycloaddition of (Z)-4-Aryliden-5(4H)-Oxazolones as Straightforward Synthesis of 1,3-Diaminotruxillic Acid Precursors: Synthetic Scope and Mechanistic Studies","ACS Sustainable Chemistry & Engineering","2017","5","9","8370","","10.1021/acssuschemeng.7b02140","","","0.71073","MoKα","","0.1056","0.063","","","0.1514","0.178","","","","","","1.043","","","","has coordinates","239699","2020-10-21","18:00:00",""
"4517023","12.4183","0.0008","13.3678","0.0005","8.9785","0.0004","90","","93.613","0.004","90","","1487.52","0.13","150","2","150","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C18 H15 N O4 -","- C18 H15 N O4 -","- C72 H60 N4 O16 -","4","1","","García-Montero, Angel; Rodriguez, Antonio M.; Juan, Alberto; Velders, Aldrik H.; Denisi, Antonio; Jiménez-Osés, Gonzalo; Gómez-Bengoa, Enrique; Cativiela, Carlos; Gómez, Maria Victoria; Urriolabeitia, Esteban P.","Metal-Free [2 + 2]-Photocycloaddition of (Z)-4-Aryliden-5(4H)-Oxazolones as Straightforward Synthesis of 1,3-Diaminotruxillic Acid Precursors: Synthetic Scope and Mechanistic Studies","ACS Sustainable Chemistry & Engineering","2017","5","9","8370","","10.1021/acssuschemeng.7b02140","","","0.71073","MoKα","","0.1019","0.0632","","","0.1384","0.1596","","","","","","1.044","","","","has coordinates","239699","2020-10-21","18:00:00",""
"4517024","13.96","0.003","19.71","0.004","15.38","0.003","90","","116.32","0.003","90","","3793.1","1.3","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C32 H34 F3 N3 O3 -","- C32 H34 F3 N3 O3 -","- C128 H136 F12 N12 O12 -","4","1","","Wang, Bao-Qu; Luo, Qin; Xiao, Qiang; Lin, Jun; Yan, Sheng-Jiao","Synthesis of Quinone Methide Substituted Neonicotinoid Derivatives via 1,6-Conjugate Addition of N-Benzyl Nitro Ketene Aminals with para-Quinone Methides Accompanying Oxidation","ACS Sustainable Chemistry & Engineering","2017","5","9","8382","","10.1021/acssuschemeng.7b02166","","","0.71073","MoKα","","0.1856","0.1233","","","0.4162","0.4529","","","","","","1.002","","","","has coordinates","258458","2020-10-21","18:00:00",""
"4518390","7.9866","0.0003","11.0761","0.0004","17.215","0.0006","90.6702","0.0017","99.6908","0.0017","99.059","0.0017","1481.25","0.09","110","","110","","","","","","","","","6","P -1","-P 1","2","","N2,N2-dimethyl-N4-(3-(2-(pentafluorophenyl)vinyl)phenyl) -N6-phenyl-1,3,5-triazine-2,4,6-triamine dimethyl sulfoxide solvate","","- C29 H31 F5 N6 O2 S2 -","- C29 H31 F5 N6 O2 S2 -","- C58 H62 F10 N12 O4 S4 -","2","1","","Laventure, Audrey; Maris, Thierry; Pellerin, Christian; Lebel, Olivier","Glass versus Crystal: A Balancing Act between Competing Intermolecular Interactions","Crystal Growth and Design","2017","17","","2365","2373","10.1021/acs.cgd.6b01567","","x-ray","1.34139","GaKα","","0.0675","0.0563","","","0.1449","0.1537","","","","","","1.027","","","","has coordinates,has disorder","260364","2021-01-02","04:37:44",""
"4518391","8.0372","0.0007","9.8143","0.0008","14.91","0.0012","87.061","0.005","76.319","0.005","84.542","0.005","1137.04","0.17","100","","100","","","","","","","","","4","P -1","-P 1","2","","N2-(3,5-dimethylphenyl)-N4-methyl-N6- (3-(2-(pentafluorophenyl)vinyl)phenyl)-1,3,5-triazine-2,4,6-triamine","","- C26 H21 F5 N6 -","- C26 H21 F5 N6 -","- C52 H42 F10 N12 -","2","1","","Laventure, Audrey; Maris, Thierry; Pellerin, Christian; Lebel, Olivier","Glass versus Crystal: A Balancing Act between Competing Intermolecular Interactions","Crystal Growth and Design","2017","17","","2365","2373","10.1021/acs.cgd.6b01567","","x-ray","1.34139","GaKα","","0.069","0.055","","","0.1487","0.1614","","","","","","1.061","","","","has coordinates","260365","2021-01-02","04:38:03",""
"4518392","3.8118","0.0004","10.0388","0.0009","12.9838","0.0012","90","","91.328","0.007","90","","496.7","0.08","150","","150","","","","","","","","Synthesized by the authors. See text","3","P 1 21/c 1","-P 2ybc","14","","(2,2'-bipyridine)-6,6'-dicarbonitrile","","- C12 H6 N4 -","- C12 H6 N4 -","- C24 H12 N8 -","2","0.5","","Peter, Aneeshma; Mohan, Midhun; Maris, Thierry; Wuest, James D.; Duong, Adam","Comparing Crystallizations in Three Dimensions and Two Dimensions: Behavior of Isomers of [2,2?-Bipyridine]dicarbonitrile and [1,10-Phenanthroline]dicarbonitrile","Crystal Growth and Design","2017","17","","5242","5248","10.1021/acs.cgd.7b00777","","","1.54178","CuKα","","0.0451","0.034","","","0.0757","0.0809","","","","","","0.989","","","","has coordinates,has Fobs","260374","2021-01-02","16:15:03",""
"4518393","3.7577","0.0002","5.8815","0.0004","10.9271","0.0007","94.985","0.004","94.575","0.004","94.803","0.004","238.82","0.03","150","","150","","","","","","","","","3","P -1","-P 1","2","","(2,2'-bipyridine)-5,5'-dicarbonitrile","","- C12 H6 N4 -","- C12 H6 N4 -","- C12 H6 N4 -","1","0.5","","Peter, Aneeshma; Mohan, Midhun; Maris, Thierry; Wuest, James D.; Duong, Adam","Comparing Crystallizations in Three Dimensions and Two Dimensions: Behavior of Isomers of [2,2?-Bipyridine]dicarbonitrile and [1,10-Phenanthroline]dicarbonitrile","Crystal Growth and Design","2017","17","","5242","5248","10.1021/acs.cgd.7b00777","","x-ray","1.34139","GaKα","","0.1165","0.0862","","","0.2565","0.2921","","","","","","1.13","","","","has coordinates,has Fobs","260375","2021-01-02","16:15:12",""
"4518394","10.3518","0.0015","15.7549","0.0019","13.4816","0.0018","90","","106.318","0.009","90","","2110.2","0.5","100","2","100","2","","","","","","","Synthesized by the authors. See text","3","P 1 21/n 1","-P 2yn","14","","1,10-phenanthroline-5,6-dicarbonitrile","","- C14 H6 N4 -","- C14 H6 N4 -","- C112 H48 N32 -","8","2","","Peter, Aneeshma; Mohan, Midhun; Maris, Thierry; Wuest, James D.; Duong, Adam","Comparing Crystallizations in Three Dimensions and Two Dimensions: Behavior of Isomers of [2,2?-Bipyridine]dicarbonitrile and [1,10-Phenanthroline]dicarbonitrile","Crystal Growth and Design","2017","17","","5242","5248","10.1021/acs.cgd.7b00777","","","1.54178","CuKα","","0.0323","0.0322","","","0.0771","0.0771","","","","","","1.093","","","","has coordinates","260376","2021-01-02","16:27:19",""
"4518395","6.9215","0.0002","14.7012","0.0003","10.7329","0.0002","90","","90","","90","","1092.12","0.04","150","","150","","","","","","","","Synthesized by the authors. See text","3","P n a 21","P 2c -2n","33","","1,10-phenanthroline-4,7-dicarbonitrile","","- C14 H6 N4 -","- C14 H6 N4 -","- C56 H24 N16 -","4","1","","Peter, Aneeshma; Mohan, Midhun; Maris, Thierry; Wuest, James D.; Duong, Adam","Comparing Crystallizations in Three Dimensions and Two Dimensions: Behavior of Isomers of [2,2?-Bipyridine]dicarbonitrile and [1,10-Phenanthroline]dicarbonitrile","Crystal Growth and Design","2017","17","","5242","5248","10.1021/acs.cgd.7b00777","","","1.54178","CuKα","","0.0384","0.0318","","","0.0802","0.0845","","","","","","1.092","","","","has coordinates","260377","2021-01-02","16:27:31",""
"7040828","10.187","0.0019","11.779","0.002","12.474","0.002","82.74","0.02","80.73","0.02","83.53","0.02","1458.9","0.4","173","2","173","2","","","","","","","","6","P -1","-P 1","2","","","","- C28 H23 Cl2 N3 S4 Si -","- C28 H23 Cl2 N3 S4 Si -","- C56 H46 Cl4 N6 S8 Si2 -","2","1","","Baus, Johannes A.; Tacke, Reinhold","Neutral six-coordinate bis(dithiocarbamato)silicon(iv) complexes with an SiCl2S4skeleton","Dalton Trans.","2017","","","","","10.1039/C6DT03264H","","","0.71073","MoKα","","0.0306","0.0269","","","0.071","0.0729","","","","","","1.057","","","","has coordinates","187220","2020-10-21","18:00:00",""
"7040829","9.825","0.006","19.594","0.015","13.142","0.009","90","","97.87","0.04","90","","2506","3","100","2","100","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C16 H31 Cl2 N3 S4 Si -","- C16 H31 Cl2 N3 S4 Si -","- C64 H124 Cl8 N12 S16 Si4 -","4","1","","Baus, Johannes A.; Tacke, Reinhold","Neutral six-coordinate bis(dithiocarbamato)silicon(iv) complexes with an SiCl2S4skeleton","Dalton Trans.","2017","","","","","10.1039/C6DT03264H","","","0.71073","MoKα","","0.0342","0.0306","","","0.0735","0.0757","","","","","","1.033","","","","has coordinates,has disorder","187220","2020-10-21","18:00:00",""
"7041178","11.938","0.0004","17.1986","0.0005","17.6149","0.0007","86.006","0.003","89.093","0.003","70.522","0.003","3401.3","0.2","173","2","173","2","","","","","","","","9","P -1","-P 1","2","","","","- C56 H49 Cl N2 O6 Os P3 Re S2 -","- C56 H49 Cl N2 O6 Os P3 Re S2 -","- C112 H98 Cl2 N4 O12 Os2 P6 Re2 S4 -","2","1","","Toscani, Anita; Jantan, Khairil A.; Hena, Jubeda B.; Robson, Jonathan A.; Parmenter, Emily J.; Fiorini, Valentina; White, Andrew J. P.; Stagni, Stefano; Wilton-Ely, James D E T","The stepwise generation of multimetallic complexes based on a vinylbipyridine linkage and their photophysical properties.","Dalton transactions (Cambridge, England : 2003)","2017","46","17","5558","5570","10.1039/c6dt03810g","","","1.54184","CuKα","","0.0914","0.0809","","","0.2336","0.2493","","","","","","1.066","","","","has coordinates,has disorder","196412","2020-10-21","18:00:00",""
"7041179","13.4717","0.0005","15.1437","0.0005","18.2941","0.0005","66.909","0.003","74.098","0.003","64.648","0.004","3077.2","0.2","173","2","173","2","","","","","","","","9","P -1","-P 1","2","","","","- C60 H47 Cl6 N4 O4 P2 Re Ru S -","- C58 H43 Cl2 N4 O4 P2 Re Ru S -","- C116 H86 Cl4 N8 O8 P4 Re2 Ru2 S2 -","2","1","","Toscani, Anita; Jantan, Khairil A.; Hena, Jubeda B.; Robson, Jonathan A.; Parmenter, Emily J.; Fiorini, Valentina; White, Andrew J. P.; Stagni, Stefano; Wilton-Ely, James D E T","The stepwise generation of multimetallic complexes based on a vinylbipyridine linkage and their photophysical properties.","Dalton transactions (Cambridge, England : 2003)","2017","46","17","5558","5570","10.1039/c6dt03810g","","","0.71073","MoKα","","0.0468","0.0345","","","0.0738","0.079","","","","","","1.024","","","","has coordinates,has disorder","196412","2020-10-21","18:00:00",""
"7041232","8.56","0.005","11.494","0.005","12.839","0.005","98.218","0.005","100.254","0.005","109.322","0.005","1145","0.9","293","2","293","2","","","","","","","","6","P -1","-P 1","2","","","","- C34 H50 Cl2 N12 Ni2 O14 -","- C34 H50 Cl2 N12 Ni2 O14 -","- C34 H50 Cl2 N12 Ni2 O14 -","1","0.5","","Mondal, Monotosh; Giri, Sanjib; Guha, Pampa M.; Ghosh, Ashutosh","Dependence of magnetic coupling on ligands at the axial positions of Ni(II) in phenoxido bridged dimers: experimental observations and DFT studies.","Dalton transactions (Cambridge, England : 2003)","2017","46","3","697","708","10.1039/c6dt03855g","","","0.71073","MoKα","","0.0622","0.0484","","","0.1325","0.1417","","","","","","1.04","","","","has coordinates","191628","2020-10-21","18:00:00",""
"7041233","12.168","0.003","18.552","0.004","17.396","0.004","90","","98.985","0.003","90","","3878.8","1.6","293","2","293","2","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C29 H41 Cl N10 Ni2 O10 S -","- C29 H41 Cl N10 Ni2 O10 S -","- C116 H164 Cl4 N40 Ni8 O40 S4 -","4","1","","Mondal, Monotosh; Giri, Sanjib; Guha, Pampa M.; Ghosh, Ashutosh","Dependence of magnetic coupling on ligands at the axial positions of Ni(II) in phenoxido bridged dimers: experimental observations and DFT studies.","Dalton transactions (Cambridge, England : 2003)","2017","46","3","697","708","10.1039/c6dt03855g","","","0.71073","MoKα","","0.0974","0.0588","","","0.1469","0.1691","","","","","","1.033","","","","has coordinates,has disorder","191628","2020-10-21","18:00:00",""
"7041234","9.526","0.005","15.798","0.005","11.742","0.005","90","0.005","99.023","0.005","90","0.005","1745.2","1.3","293","2","293","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C28 H38 N10 Ni2 O6 S2 -","- C28 H38 N10 Ni2 O6 S2 -","- C56 H76 N20 Ni4 O12 S4 -","2","0.5","","Mondal, Monotosh; Giri, Sanjib; Guha, Pampa M.; Ghosh, Ashutosh","Dependence of magnetic coupling on ligands at the axial positions of Ni(II) in phenoxido bridged dimers: experimental observations and DFT studies.","Dalton transactions (Cambridge, England : 2003)","2017","46","3","697","708","10.1039/c6dt03855g","","","0.71073","MoKα","","0.1161","0.0526","","","0.0894","0.1109","","","","","","0.871","","","","has coordinates","191628","2020-10-21","18:00:00",""
"7041251","21.6437","0.0012","19.8816","0.0012","12.8082","0.0008","90","","94.893","0.003","90","","5491.4","0.6","296","2","296","2","","","","","","","","8","C 1 2/c 1","-C 2yc","15","","","","- C25 H19 Cu0.5 F6 Fe N3.5 O3 P -","- C25 H19 Cu0.5 F6 Fe N3.5 O3 P -","- C200 H152 Cu4 F48 Fe8 N28 O24 P8 -","8","1","","Deka, Banashree; Sarkar, Tukki; Banerjee, Samya; Kumar, Arun; Mukherjee, Sanjoy; Deka, Sasanka; Saikia, Kandarpa K.; Hussain, Akhtar","Novel mitochondria targeted copper(ii) complexes of ferrocenyl terpyridine and anticancer active 8-hydroxyquinolines showing remarkable cytotoxicity, DNA and protein binding affinity.","Dalton transactions (Cambridge, England : 2003)","2017","46","2","396","409","10.1039/c6dt03660k","","","0.71073","MoKα","","0.1135","0.0595","","","0.1625","0.193","","","","","","1.03","","","","has coordinates","191584","2020-10-21","18:00:00",""
"7041256","12.637","0.0006","8.9158","0.0003","10.396","0.0004","90","","100.151","0.004","90","","1152.97","0.08","293","2","293","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C18 H10 Br4 N8 O2 Zn -","- C18 H10 Br4 N8 O2 Zn -","- C36 H20 Br8 N16 O4 Zn2 -","2","0.5","","Zhang, Shu-Hua; Wang, Ji-Ming; Zhang, Hai-Yang; Fan, Yi-Peng; Xiao, Yu","Highly efficient electrochemiluminescence based on 4-amino-1,2,4-triazole Schiff base two-dimensional Zn/Cd coordination polymers.","Dalton transactions (Cambridge, England : 2003)","2017","46","2","410","419","10.1039/c6dt04059d","","","0.71073","MoKα","","0.0897","0.0708","","","0.18","0.1987","","","","","","1.02","","","","has coordinates","191588","2020-10-21","18:00:00",""
"7041257","7.8274","0.0003","7.8274","0.0003","36.8134","0.0015","90","","90","","90","","2255.49","0.15","293","2","293","2","","","","","","","","6","P 43 21 2","P 4nw 2abw","96","","","","- C18 H10 Br4 Cd N8 O2 -","- C18 H10 Br4 Cd N8 O2 -","- C72 H40 Br16 Cd4 N32 O8 -","4","0.5","","Zhang, Shu-Hua; Wang, Ji-Ming; Zhang, Hai-Yang; Fan, Yi-Peng; Xiao, Yu","Highly efficient electrochemiluminescence based on 4-amino-1,2,4-triazole Schiff base two-dimensional Zn/Cd coordination polymers.","Dalton transactions (Cambridge, England : 2003)","2017","46","2","410","419","10.1039/c6dt04059d","","","0.71073","MoKα","","0.0499","0.0399","","","0.0641","0.0674","","","","","","1.059","","","","has coordinates","191588","2020-10-21","18:00:00",""
"7041258","12.1364","0.0008","8.6903","0.0004","10.3966","0.0004","90","","100.145","0.005","90","","1079.37","0.1","293","2","293","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C18 H10 Cl4 N8 O2 Zn -","- C18 H10 Cl4 N8 O2 Zn -","- C36 H20 Cl8 N16 O4 Zn2 -","2","0.5","","Zhang, Shu-Hua; Wang, Ji-Ming; Zhang, Hai-Yang; Fan, Yi-Peng; Xiao, Yu","Highly efficient electrochemiluminescence based on 4-amino-1,2,4-triazole Schiff base two-dimensional Zn/Cd coordination polymers.","Dalton transactions (Cambridge, England : 2003)","2017","46","2","410","419","10.1039/c6dt04059d","","","0.71073","MoKα","","0.049","0.0415","","","0.1042","0.1098","","","","","","1.007","","","","has coordinates","191588","2020-10-21","18:00:00",""
"7041259","7.7613","0.0004","7.7613","0.0004","35.852","0.003","90","","90","","90","","2159.6","0.2","293","2","293","2","","","","","","","","6","P 41 21 2","P 4abw 2nw","92","","","","- C18 H10 Cd Cl4 N8 O2 -","- C18 H10 Cd Cl4 N8 O2 -","- C72 H40 Cd4 Cl16 N32 O8 -","4","0.5","","Zhang, Shu-Hua; Wang, Ji-Ming; Zhang, Hai-Yang; Fan, Yi-Peng; Xiao, Yu","Highly efficient electrochemiluminescence based on 4-amino-1,2,4-triazole Schiff base two-dimensional Zn/Cd coordination polymers.","Dalton transactions (Cambridge, England : 2003)","2017","46","2","410","419","10.1039/c6dt04059d","","","0.71073","MoKα","","0.0887","0.0787","","","0.2148","0.2216","","","","","","1.002","","","","has coordinates","191588","2020-10-21","18:00:00",""
"7041260","34.4795","0.0017","34.4795","0.0017","31.634","0.004","90","","90","","120","","32569","5","296","2","293","","","","","","","","","6","R -3 c","-R 3 2""c","167","","","","- C212 H159 In6 N O78 Ti12 -","- C212 H159 In6 N O78 Ti12 -","- C1272 H954 In36 N6 O468 Ti72 -","6","","","Liu, Shengjun; Hu, Wei; Nath, Jayanta Kr; Tong, Jing; Hou, Xudong; Liu, Wenlong; Yang, Jinlong; Liu, Bo","[Ti12In6O18(OOCC6H5)30]: a multifunctional hetero-polyoxotitanate nanocluster with high stability and visible photoactivity.","Dalton transactions (Cambridge, England : 2003)","2017","46","3","678","684","10.1039/c6dt04261a","","","0.71073","MoKα","","0.0824","0.0448","","","0.1254","0.1576","","","","","","1.119","","","","has coordinates,has disorder","191637","2020-10-21","18:00:00",""
"7041261","19.73","0.008","10.286","0.004","22.226","0.01","90","","90.131","0.011","90","","4511","3","110","","110","","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","RuCl2(PPh3)(Ph2PC6H4NCHCH(CH3)2)","","- C46 H51 Cl2 N3 O2 P2 Ru -","- C46 H51 Cl2 N3 O2 P2 Ru -","- C184 H204 Cl8 N12 O8 P8 Ru4 -","4","1","","Stubbs, J. M.; Firth, K. F.; Bridge, B. J.; Berger, K. J.; Hazlehurst, R. J.; Boyle, P. D.; Blacquiere, J. M.","Phosphine-imine and -enamido ligands for acceptorless dehydrogenation catalysis.","Dalton transactions (Cambridge, England : 2003)","2017","46","3","647","650","10.1039/c6dt04088h","","","0.71073","MoKα","","0.0779","0.0402","","","0.0789","0.0901","","","","","","1.024","","","","has coordinates,has disorder","191644","2020-10-21","18:00:00",""
"7041262","9.445","0.004","25.327","0.009","16.19","0.006","90","","106.706","0.019","90","","3709","2","110","","110","","","","","","","","","7","C 1 c 1","C -2yc","9","","RuCl(py)3(Ph2PC6H4NCHCH(CH3)2)","","- C41 H44 Cl N4 O P Ru -","- C41 H44 Cl N4 O P Ru -","- C164 H176 Cl4 N16 O4 P4 Ru4 -","4","1","","Stubbs, J. M.; Firth, K. F.; Bridge, B. J.; Berger, K. J.; Hazlehurst, R. J.; Boyle, P. D.; Blacquiere, J. M.","Phosphine-imine and -enamido ligands for acceptorless dehydrogenation catalysis.","Dalton transactions (Cambridge, England : 2003)","2017","46","3","647","650","10.1039/c6dt04088h","","","0.71073","MoKα","","0.0782","0.0471","","","0.081","0.0906","","","","","","1.032","","","","has coordinates,has disorder","191644","2020-10-21","18:00:00",""
"7041290","12.457","0.003","14.238","0.003","15.625","0.003","90","","98.05","0.004","90","","2744","1","293","2","293","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C30 H30 N2 Ni2 O11 -","- C30 H30 N2 Ni2 O11 -","- C120 H120 N8 Ni8 O44 -","4","1","","Zhou, Xinhui; Chen, Qianqian; Liu, Baolin; Li, Liang; Yang, Tao; Huang, Wei","Syntheses, structures and magnetic properties of nine coordination polymers based on terphenyl-tetracarboxylic acid ligands.","Dalton transactions (Cambridge, England : 2003)","2017","46","2","430","444","10.1039/c6dt04270h","","","0.71073","MoKα","","0.0818","0.0572","","","0.1102","0.1141","","","","","","1.061","","","","has coordinates","191595","2020-10-21","18:00:00",""
"7041291","12.5448","0.0011","14.5678","0.0011","15.7871","0.0011","90","","98.108","0.001","90","","2856.3","0.4","293","2","293","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C30 H30 Co2 N2 O11 -","- C30 H30 Co2 N2 O11 -","- C120 H120 Co8 N8 O44 -","4","1","","Zhou, Xinhui; Chen, Qianqian; Liu, Baolin; Li, Liang; Yang, Tao; Huang, Wei","Syntheses, structures and magnetic properties of nine coordination polymers based on terphenyl-tetracarboxylic acid ligands.","Dalton transactions (Cambridge, England : 2003)","2017","46","2","430","444","10.1039/c6dt04270h","","","0.71073","MoKα","","0.0714","0.0508","","","0.1276","0.1445","","","","","","1.093","","","","has coordinates,has disorder","191595","2020-10-21","18:00:00",""
"7041292","10.07","0.003","13.107","0.005","15.216","0.005","78.42","0.008","76.527","0.009","68.204","0.008","1798.9","1.1","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C31 H41 N3 Ni2 O16 -","- C31 H41 N3 Ni2 O16 -","- C62 H82 N6 Ni4 O32 -","2","1","","Zhou, Xinhui; Chen, Qianqian; Liu, Baolin; Li, Liang; Yang, Tao; Huang, Wei","Syntheses, structures and magnetic properties of nine coordination polymers based on terphenyl-tetracarboxylic acid ligands.","Dalton transactions (Cambridge, England : 2003)","2017","46","2","430","444","10.1039/c6dt04270h","","","0.71073","MoKα","","0.0856","0.0467","","","0.1179","0.1333","","","","","","1.059","","","","has coordinates","191595","2020-10-21","18:00:00",""
"7041293","10.282","0.005","11.261","0.005","12.171","0.004","92.575","0.011","109.114","0.011","109.752","0.012","1233.9","0.9","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C49 H45 N Ni4 O25 -","- C49 H45 N Ni4 O25 -","- C49 H45 N Ni4 O25 -","1","0.5","","Zhou, Xinhui; Chen, Qianqian; Liu, Baolin; Li, Liang; Yang, Tao; Huang, Wei","Syntheses, structures and magnetic properties of nine coordination polymers based on terphenyl-tetracarboxylic acid ligands.","Dalton transactions (Cambridge, England : 2003)","2017","46","2","430","444","10.1039/c6dt04270h","","","0.71073","MoKα","","0.1066","0.0557","","","0.1097","0.1302","","","","","","1.022","","","","has coordinates,has disorder","191595","2020-10-21","18:00:00",""
"7041294","21.2258","0.0019","7.1522","0.0005","18.6176","0.0015","90","","102.347","0.003","90","","2761","0.4","100","2","100","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C29 H28 Co2 N2 O11 -","- C29 H28 Co2 N2 O11 -","- C116 H112 Co8 N8 O44 -","4","0.5","","Zhou, Xinhui; Chen, Qianqian; Liu, Baolin; Li, Liang; Yang, Tao; Huang, Wei","Syntheses, structures and magnetic properties of nine coordination polymers based on terphenyl-tetracarboxylic acid ligands.","Dalton transactions (Cambridge, England : 2003)","2017","46","2","430","444","10.1039/c6dt04270h","","","0.71073","MoKα","","0.0458","0.0347","","","0.0806","0.0863","","","","","","1.145","","","","has coordinates,has disorder","191595","2020-10-21","18:00:00",""
"7041295","10.3531","0.0006","12.6481","0.0007","15.1208","0.0008","88.749","0.001","88.434","0.001","65.862","0.001","1806.1","0.17","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","","","- C45 H27 Mn N2 O12 -","- C45 H27 Mn N2 O12 -","- C90 H54 Mn2 N4 O24 -","2","1","","Zhou, Xinhui; Chen, Qianqian; Liu, Baolin; Li, Liang; Yang, Tao; Huang, Wei","Syntheses, structures and magnetic properties of nine coordination polymers based on terphenyl-tetracarboxylic acid ligands.","Dalton transactions (Cambridge, England : 2003)","2017","46","2","430","444","10.1039/c6dt04270h","","","0.71073","MoKα","","0.0394","0.0343","","","0.082","0.086","","","","","","1.084","","","","has coordinates","191595","2020-10-21","18:00:00",""
"7041296","13.8839","0.0015","15.7369","0.0018","19.059","0.002","90","","103.257","0.003","90","","4053.2","0.8","293","2","293","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C46 H28 N4 Ni2 O9 -","- C46 H28 N4 Ni2 O9 -","- C184 H112 N16 Ni8 O36 -","4","0.5","","Zhou, Xinhui; Chen, Qianqian; Liu, Baolin; Li, Liang; Yang, Tao; Huang, Wei","Syntheses, structures and magnetic properties of nine coordination polymers based on terphenyl-tetracarboxylic acid ligands.","Dalton transactions (Cambridge, England : 2003)","2017","46","2","430","444","10.1039/c6dt04270h","","","0.71073","MoKα","","0.0884","0.0708","","","0.1712","0.1887","","","","","","1.218","","","","has coordinates","191595","2020-10-21","18:00:00",""
"7041297","9.5209","0.001","12.3845","0.0012","19.0352","0.0018","93.894","0.002","101.364","0.002","97.993","0.002","2168.6","0.4","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C50 H37 Mn2 N5 O10 -","- C50 H37 Mn2 N5 O10 -","- C100 H74 Mn4 N10 O20 -","2","1","","Zhou, Xinhui; Chen, Qianqian; Liu, Baolin; Li, Liang; Yang, Tao; Huang, Wei","Syntheses, structures and magnetic properties of nine coordination polymers based on terphenyl-tetracarboxylic acid ligands.","Dalton transactions (Cambridge, England : 2003)","2017","46","2","430","444","10.1039/c6dt04270h","","","0.71073","MoKα","","0.1097","0.0718","","","0.1763","0.1991","","","","","","1.052","","","","has coordinates","191595","2020-10-21","18:00:00",""
"7041298","9.6561","0.0006","10.4415","0.0007","10.8602","0.0007","104.638","0.002","112.523","0.002","107.263","0.002","878.63","0.1","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","","","- C23 H15 Co N2 O5 -","- C23 H15 Co N2 O5 -","- C46 H30 Co2 N4 O10 -","2","1","","Zhou, Xinhui; Chen, Qianqian; Liu, Baolin; Li, Liang; Yang, Tao; Huang, Wei","Syntheses, structures and magnetic properties of nine coordination polymers based on terphenyl-tetracarboxylic acid ligands.","Dalton transactions (Cambridge, England : 2003)","2017","46","2","430","444","10.1039/c6dt04270h","","","0.71073","MoKα","","0.0609","0.0441","","","0.0923","0.0988","","","","","","1.062","","","","has coordinates","191595","2020-10-21","18:00:00",""
"7041299","25.461","0.012","6.279","0.002","19.834","0.006","90","","112.59","0.02","90","","2927.6","1.9","293","2","293","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C60 H66 N4 O21 -","- C60 H66 N4 O21 -","- C120 H132 N8 O42 -","2","0.25","","Zhou, Xinhui; Chen, Qianqian; Liu, Baolin; Li, Liang; Yang, Tao; Huang, Wei","Syntheses, structures and magnetic properties of nine coordination polymers based on terphenyl-tetracarboxylic acid ligands.","Dalton transactions (Cambridge, England : 2003)","2017","46","2","430","444","10.1039/c6dt04270h","","","0.71073","MoKα","","0.1627","0.0595","","","0.1302","0.1923","","","","","","1.011","","","","has coordinates","191595","2020-10-21","18:00:00",""
"7041300","32.4965","0.0008","32.4965","0.0008","13.1823","0.0004","90","","90","","120","","12055.8","0.6","100","2","100","2","","","","","","","","6","R -3 :H","-R 3","148","","","","- C12 H32 N2 O12.5 P4 Zn3 -","- C12 H31.46 N2 O12.533 P4 Zn3 -","- C216 H566.28 N36 O225.594 P72 Zn54 -","18","1","","Huang, Hui-Lin; Lin, Hsin-Yau; Chen, Pei-Shan; Lee, Jey-Jau; Kung, Hui-Chen; Wang, Sue-Lein","A highly flexible inorganic framework with amphiphilic amine assemblies as templates.","Dalton transactions (Cambridge, England : 2003)","2017","46","2","364","368","10.1039/c6dt04165e","","","1.54178","CuKα","","0.0279","0.0262","","","0.0683","0.0695","","","","","","1.032","","","","has coordinates","198633","2020-10-21","18:00:00",""
"7041301","33.9287","0.0003","33.9287","0.0003","13.6579","0.0001","90","","90","","120","","13616","0.2","296","2","296","2","","","","","","","","6","R -3 :H","-R 3","148","","","","- C16 H40 N2 O12.3 P4 Zn3 -","- C16 H24.67 N2 O12.335 P4 Zn3 -","- C288 H444.06 N36 O222.03 P72 Zn54 -","18","1","","Huang, Hui-Lin; Lin, Hsin-Yau; Chen, Pei-Shan; Lee, Jey-Jau; Kung, Hui-Chen; Wang, Sue-Lein","A highly flexible inorganic framework with amphiphilic amine assemblies as templates.","Dalton transactions (Cambridge, England : 2003)","2017","46","2","364","368","10.1039/c6dt04165e","","","0.71073","MoKα","","0.0974","0.0536","","","0.1464","0.1836","","","","","","1.057","","","","has coordinates","198633","2020-10-21","18:00:00",""
"7041302","32.8755","0.0009","32.8755","0.0009","13.2082","0.0005","90","","90","","120","","12362.9","0.7","296","2","296","2","","","","","","","","6","R -3 :H","-R 3","148","","","","- C8 H28 N2 O13 P4 Zn3 -","- H2.99 O13.009 P4 Zn3 -","- H53.82 O234.162 P72 Zn54 -","18","1","","Huang, Hui-Lin; Lin, Hsin-Yau; Chen, Pei-Shan; Lee, Jey-Jau; Kung, Hui-Chen; Wang, Sue-Lein","A highly flexible inorganic framework with amphiphilic amine assemblies as templates.","Dalton transactions (Cambridge, England : 2003)","2017","46","2","364","368","10.1039/c6dt04165e","","","0.71073","MoKα","","0.0467","0.0322","","","0.1005","0.1071","","","","","","1.017","","","","has coordinates","198633","2020-10-21","18:00:00",""
"7041303","33.1915","0.0004","33.1915","0.0004","13.3206","0.0002","90","","90","","120","","12708.9","0.3","296","2","296","2","","","","","","","","6","R -3 :H","-R 3","148","","","","- C10 H18 N2 O12.5 P4 Zn3 -","- H3.51 O12.482 P4 Zn3 -","- H63.18 O224.676 P72 Zn54 -","18","1","","Huang, Hui-Lin; Lin, Hsin-Yau; Chen, Pei-Shan; Lee, Jey-Jau; Kung, Hui-Chen; Wang, Sue-Lein","A highly flexible inorganic framework with amphiphilic amine assemblies as templates.","Dalton transactions (Cambridge, England : 2003)","2017","46","2","364","368","10.1039/c6dt04165e","","","0.71073","MoKα","","0.0425","0.0317","","","0.1011","0.1045","","","","","","0.986","","","","has coordinates","198633","2020-10-21","18:00:00",""
"7041304","33.2781","0.0009","33.2781","0.0009","13.5625","0.0005","90","","90","","120","","13007.3","0.7","296","2","296","2","","","","","","","","6","R -3 :H","-R 3","148","","","","- C12 H36 N2 O12.3 P4 Zn3 -","- H3.68 O12.318 P4 Zn3 -","- H66.24 O221.724 P72 Zn54 -","18","1","","Huang, Hui-Lin; Lin, Hsin-Yau; Chen, Pei-Shan; Lee, Jey-Jau; Kung, Hui-Chen; Wang, Sue-Lein","A highly flexible inorganic framework with amphiphilic amine assemblies as templates.","Dalton transactions (Cambridge, England : 2003)","2017","46","2","364","368","10.1039/c6dt04165e","","","0.71073","MoKα","","0.0358","0.0268","","","0.085","0.0872","","","","","","1.027","","","","has coordinates","198633","2020-10-21","18:00:00",""
"7041305","8.946","0.0018","34.272","0.007","9.6976","0.0019","90","","103.04","0.03","90","","2896.6","1.1","100","2","100","","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C16 H32 Ca F6 O12 S2 Si2 -","- C16 H32 Ca F6 O12 S2 Si2 -","- C64 H128 Ca4 F24 O48 S8 Si8 -","4","1","","Dankert, Fabian; Reuter, Kirsten; Donsbach, Carsten; von Hänisch, Carsten","A structural study of alkaline earth metal complexes with hybrid disila-crown ethers","Dalton Trans.","2017","","","","","10.1039/C6DT04018G","","","0.71073","MoKα","","0.0488","0.0408","","","0.1063","0.1089","","","","","","1.008","","","","has coordinates","188799","2020-10-21","18:00:00",""
"7041306","14.037","0.003","10.896","0.002","37.359","0.008","90","","99.19","0.03","90","","5641","2","100","","100","","","","","","","","","7","C 1 2/c 1","-C 2yc","15","","","","- C15 H34 Cl2 I2 O6 Si2 Sr -","- C15 H34 Cl2 I2 O6 Si2 Sr -","- C120 H272 Cl16 I16 O48 Si16 Sr8 -","8","1","","Dankert, Fabian; Reuter, Kirsten; Donsbach, Carsten; von Hänisch, Carsten","A structural study of alkaline earth metal complexes with hybrid disila-crown ethers","Dalton Trans.","2017","","","","","10.1039/C6DT04018G","","","0.71073","MoKα","","0.0342","0.0191","","","0.0347","0.036","","","","","","0.8","","","","has coordinates","188799","2020-10-21","18:00:00",""
"7041307","10.8339","0.0006","14.1089","0.0007","27.7507","0.0014","90","","90","","90","","4241.8","0.4","100","","99.99","","","","","","","","","6","P b c a","-P 2ac 2ab","61","","","","- C12 H28 Br2 Mg O5 Si2 -","- C12 H28 Br2 Mg O5 Si2 -","- C96 H224 Br16 Mg8 O40 Si16 -","8","1","","Dankert, Fabian; Reuter, Kirsten; Donsbach, Carsten; von Hänisch, Carsten","A structural study of alkaline earth metal complexes with hybrid disila-crown ethers","Dalton Trans.","2017","","","","","10.1039/C6DT04018G","","","0.71073","MoKα","","0.0522","0.0322","","","0.051","0.0553","","","","","","1.023","","","","has coordinates","188799","2020-10-21","18:00:00",""
"7041308","9.0173","0.0004","10.3761","0.0005","35.6495","0.0016","90","","90","","90","","3335.5","0.3","110","","110","","","","","","","","","7","P 21 21 21","P 2ac 2ab","19","","","","- C20 H32 Ba F6 O12 S2 Si2 -","- C20 H32 Ba F6 O12 S2 Si2 -","- C80 H128 Ba4 F24 O48 S8 Si8 -","4","1","","Dankert, Fabian; Reuter, Kirsten; Donsbach, Carsten; von Hänisch, Carsten","A structural study of alkaline earth metal complexes with hybrid disila-crown ethers","Dalton Trans.","2017","","","","","10.1039/C6DT04018G","","","0.71073","MoKα","","0.0373","0.0274","","","0.0461","0.0481","","","","","","1.037","","","","has coordinates,has disorder","188799","2020-10-21","18:00:00",""
"7041309","9.7531","0.0004","17.5485","0.0008","18.5666","0.0008","72.504","0.001","86.902","0.002","89.549","0.001","3026.2","0.2","100","2","100","","","","","","","","","7","P -1","-P 1","2","","","","- C16 H32 Ba F6 O12 S2 Si2 -","- C16 H32 Ba F6 O12 S2 Si2 -","- C64 H128 Ba4 F24 O48 S8 Si8 -","4","2","","Dankert, Fabian; Reuter, Kirsten; Donsbach, Carsten; von Hänisch, Carsten","A structural study of alkaline earth metal complexes with hybrid disila-crown ethers","Dalton Trans.","2017","","","","","10.1039/C6DT04018G","","","0.71073","MoKα","","0.0293","0.0237","","","0.0491","0.0509","","","","","","1.093","","","","has coordinates,has disorder","188799","2020-10-21","18:00:00",""
"7041310","6.9154","0.0002","21.9224","0.0006","9.5537","0.0003","90","","110.743","0.001","90","","1354.48","0.07","296","2","296","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C15 H11 N1.5 O4 Zn -","- C15 H11 N1.5 O4 Zn -","- C60 H44 N6 O16 Zn4 -","4","1","","Li, Fei Fei; Zhang, Le; Gong, Le Le; Yan, Chang Sheng; Gao, Heng Ya; Luo, Feng","Reversible photo/thermoswitchable dual-color fluorescence through single-crystal-to-single-crystal transformation.","Dalton transactions (Cambridge, England : 2003)","2017","46","2","338","341","10.1039/c6dt04275a","","","0.71073","MoKα","","0.033","0.0305","","","0.0796","0.0808","","","","","","1.098","","","","has coordinates","191585","2020-10-21","18:00:00",""
"7041311","7.2678","0.0008","21.715","0.002","9.4795","0.0009","90","","111.248","0.006","90","","1394.4","0.2","296","2","296","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C15 H11 N1.5 O4 Zn -","- C15 H11 N1.5 O4 Zn -","- C60 H44 N6 O16 Zn4 -","4","1","","Li, Fei Fei; Zhang, Le; Gong, Le Le; Yan, Chang Sheng; Gao, Heng Ya; Luo, Feng","Reversible photo/thermoswitchable dual-color fluorescence through single-crystal-to-single-crystal transformation.","Dalton transactions (Cambridge, England : 2003)","2017","46","2","338","341","10.1039/c6dt04275a","","","0.71073","MoKα","","0.1104","0.0869","","","0.2053","0.2169","","","","","","1.151","","","","has coordinates","191585","2020-10-21","18:00:00",""
"7041312","23.7651","0.001","23.7651","0.001","33.358","0.003","90","","90","","120","","16315.9","1.8","173","2","173","2","","","","","","","","8","R 3 c :H","R 3 -2""c","161","","","","- C48 H144 As6 Cl6 Dy6 N30 O6 Se12 -","- C48 H144 As6 Cl6 Dy6 N30 O6 Se12 -","- C288 H864 As36 Cl36 Dy36 N180 O36 Se72 -","6","0.333333","","Zhou, Jian; Zou, Hua-Hong; Zhao, Rongqing; Xiao, Hong; Ding, Qingran","A unique dysprosium selenoarsenate(iii) exhibiting a photocurrent response and slow magnetic relaxation behavior.","Dalton transactions (Cambridge, England : 2003)","2017","46","2","342","346","10.1039/c6dt04266j","","","0.71073","MoKα","","0.083","0.0542","","","0.1224","0.1362","","","","","","1.007","","","","has coordinates,has disorder","203907","2020-10-21","18:00:00",""
"7041313","7.8442","0.0007","23.492","0.002","10.7644","0.0012","90","","98.014","0.003","90","","1964.2","0.3","293","2","293","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C22 H26 N4 O2 -","- C22 H26 N4 O2 -","- C88 H104 N16 O8 -","4","1","","Yang, Jing; Cao, Qian; Hu, Wei-Liang; Ye, Rui-Rong; He, Liang; Ji, Liang-Nian; Qin, Peter Z.; Mao, Zong-Wan","Theranostic TEMPO-functionalized Ru(ii) complexes as photosensitizers and oxidative stress indicators.","Dalton transactions (Cambridge, England : 2003)","2017","46","2","445","454","10.1039/c6dt04028d","","","0.71073","MoKα","","0.1136","0.0656","","","0.1938","0.2271","","","","","","1.066","","","","has coordinates","191594","2020-10-21","18:00:00",""
"7041314","13.1331","0.0016","19.104","0.002","24.643","0.002","90","","90","","90","","6182.8","1.1","213","2","213","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C52 H76 N8 O16 Zn2 -","- C52 H76 N8 O16 Zn2 -","- C208 H304 N32 O64 Zn8 -","4","1","","Nicasio, Antonio I.; Montilla, Francisco; Álvarez, Eleuterio; Colodrero, Rosario P.; Galindo, Agustín","Synthesis and structural characterization of homochiral 2D coordination polymers of zinc and copper with conformationally flexible ditopic imidazolium-based dicarboxylate ligands.","Dalton transactions (Cambridge, England : 2003)","2017","46","2","471","482","10.1039/c6dt03712g","","","0.71073","MoKα","","0.1014","0.0728","","","0.1634","0.2145","","","","","","1.038","","","","has coordinates","191598","2020-10-21","18:00:00",""
"7041315","6.7462","0.0008","10.0831","0.0011","10.6524","0.0012","87.226","0.005","83.19","0.004","86.503","0.004","717.53","0.14","193","2","193","2","","","","","","","","5","P 1","P 1","1","","","","- C26 H38 Cu N4 O8 -","- C26 H38 Cu N4 O8 -","- C26 H38 Cu N4 O8 -","1","1","","Nicasio, Antonio I.; Montilla, Francisco; Álvarez, Eleuterio; Colodrero, Rosario P.; Galindo, Agustín","Synthesis and structural characterization of homochiral 2D coordination polymers of zinc and copper with conformationally flexible ditopic imidazolium-based dicarboxylate ligands.","Dalton transactions (Cambridge, England : 2003)","2017","46","2","471","482","10.1039/c6dt03712g","","","0.71073","MoKα","","0.0776","0.0767","","","0.2057","0.207","","","","","","1.043","","","","has coordinates","191598","2020-10-21","18:00:00",""
"7041316","10.5395","0.0002","10.5395","0.0002","36.9255","0.0011","90","","90","","120","","3552.2","0.14","193","2","193","2","","","","","","","","5","P 32","P 32","145","","","","- C48 H54 N6 O11 Zn -","- C48 H54 N6 O11 Zn -","- C144 H162 N18 O33 Zn3 -","3","1","","Nicasio, Antonio I.; Montilla, Francisco; Álvarez, Eleuterio; Colodrero, Rosario P.; Galindo, Agustín","Synthesis and structural characterization of homochiral 2D coordination polymers of zinc and copper with conformationally flexible ditopic imidazolium-based dicarboxylate ligands.","Dalton transactions (Cambridge, England : 2003)","2017","46","2","471","482","10.1039/c6dt03712g","","","0.71073","MoKα","","0.0373","0.0369","","","0.1054","0.1057","","","","","","1.057","","","","has coordinates","191598","2020-10-21","18:00:00",""
"7041317","13.7058","0.001","14.2753","0.001","10.326","0.0007","90","","90","","90","","2020.3","0.2","193","2","193","2","","","","","","","","5","P 21 21 2","P 2 2ab","18","","","","- C18 H22 Cu N4 O8 -","- C18 H22 Cu N4 O8 -","- C72 H88 Cu4 N16 O32 -","4","1","","Nicasio, Antonio I.; Montilla, Francisco; Álvarez, Eleuterio; Colodrero, Rosario P.; Galindo, Agustín","Synthesis and structural characterization of homochiral 2D coordination polymers of zinc and copper with conformationally flexible ditopic imidazolium-based dicarboxylate ligands.","Dalton transactions (Cambridge, England : 2003)","2017","46","2","471","482","10.1039/c6dt03712g","","","0.71073","MoKα","","0.02","0.0192","","","0.0517","0.0525","","","","","","1.065","","","","has coordinates","191598","2020-10-21","18:00:00",""
"7041318","14.8008","0.0003","26.444","0.0005","33.4891","0.0006","90","","90","","90","","13107.4","0.4","193","2","193","2","","","","","","","","5","C 2 2 21","C 2c 2","20","","","","- C126 H114 Cu3 N12 O24 -","- C126 H114 Cu3 N12 O24 -","- C504 H456 Cu12 N48 O96 -","4","0.5","","Nicasio, Antonio I.; Montilla, Francisco; Álvarez, Eleuterio; Colodrero, Rosario P.; Galindo, Agustín","Synthesis and structural characterization of homochiral 2D coordination polymers of zinc and copper with conformationally flexible ditopic imidazolium-based dicarboxylate ligands.","Dalton transactions (Cambridge, England : 2003)","2017","46","2","471","482","10.1039/c6dt03712g","","","0.71073","MoKα","","0.0496","0.0456","","","0.1209","0.1235","","","","","","1.023","","","","has coordinates,has disorder","191598","2020-10-21","18:00:00",""
"7041319","11.103","0.0005","13.3614","0.0005","16.2115","0.0007","90","","95.795","0.001","90","","2392.71","0.17","173","2","173","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C22 H30 B N3 O5 Zn -","- C22 H30 B N3 O5 Zn -","- C88 H120 B4 N12 O20 Zn4 -","4","1","","Mukherjee, Debabrata; Spaniol, Thomas P.; Okuda, Jun","Unexpected alkane elimination from cationic group 13 dialkyls in a reaction with a macrocyclic polyamine.","Dalton transactions (Cambridge, England : 2003)","2017","46","3","651","655","10.1039/c6dt04379h","","","0.71073","MoKα","","0.0467","0.0307","","","0.0699","0.0765","","","","","","1.008","","","","has coordinates","191638","2020-10-21","18:00:00",""
"7041320","9.5","0.002","26.648","0.006","22.844","0.005","90","","97.235","0.003","90","","5737","2","173","2","173","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C56 H76 B2 Mg2 N6 O8 -","- C56 H76 B2 Mg2 N6 O8 -","- C224 H304 B8 Mg8 N24 O32 -","4","0.5","","Mukherjee, Debabrata; Spaniol, Thomas P.; Okuda, Jun","Unexpected alkane elimination from cationic group 13 dialkyls in a reaction with a macrocyclic polyamine.","Dalton transactions (Cambridge, England : 2003)","2017","46","3","651","655","10.1039/c6dt04379h","","","0.71073","MoKα","","0.058","0.0403","","","0.1001","0.1105","","","","","","1.002","","","","has coordinates","191638","2020-10-21","18:00:00",""
"7041321","9.4488","0.0012","27.824","0.004","13.611","0.0018","90","","93.087","0.002","90","","3573.2","0.8","173","2","173","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C27 H47 B N3 O3 Si4 Zn -","- C27 H47 B N3 O3 Si4 Zn -","- C108 H188 B4 N12 O12 Si16 Zn4 -","4","1","","Mukherjee, Debabrata; Spaniol, Thomas P.; Okuda, Jun","Unexpected alkane elimination from cationic group 13 dialkyls in a reaction with a macrocyclic polyamine.","Dalton transactions (Cambridge, England : 2003)","2017","46","3","651","655","10.1039/c6dt04379h","","","0.71073","MoKα","","0.0612","0.0471","","","0.1285","0.1388","","","","","","1.036","","","","has coordinates,has disorder","191638","2020-10-21","18:00:00",""
"7041322","10.242","0.004","11.576","0.004","17.786","0.007","92.073","0.006","106.24","0.006","103.685","0.006","1955.2","1.3","173","2","173","2","","","","","","","","7","P -1","-P 1","2","","","","- C30 H56 B N3 O3 Si4 Zn -","- C30 H56 B N3 O3 Si4 Zn -","- C60 H112 B2 N6 O6 Si8 Zn2 -","2","1","","Mukherjee, Debabrata; Spaniol, Thomas P.; Okuda, Jun","Unexpected alkane elimination from cationic group 13 dialkyls in a reaction with a macrocyclic polyamine.","Dalton transactions (Cambridge, England : 2003)","2017","46","3","651","655","10.1039/c6dt04379h","","","0.71073","MoKα","","0.0973","0.0468","","","0.0783","0.0919","","","","","","0.966","","","","has coordinates","191638","2020-10-21","18:00:00",""
"7041323","17.2155","0.0006","12.4815","0.0004","17.6745","0.0006","90","","106.805","0.004","90","","3635.6","0.2","100.06","0.13","100.06","0.13","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C78 H86 Dy2 N8 O14 -","- C78 H86 Dy2 N8 O14 -","- C156 H172 Dy4 N16 O28 -","2","0.5","","Zhang, Kun; Liu, Dan; Vieru, Veacheslav; Hou, Lei; Cui, Bin; Guo, Fu-Sheng; Chibotaru, Liviu F.; Wang, Yao-Yu","Transitions of two magnetic interaction states in dinuclear Dy(iii) complexes via subtle structural variations.","Dalton transactions (Cambridge, England : 2003)","2017","46","3","638","642","10.1039/c6dt04490e","","x-ray","0.71073","MoKα","","0.0655","0.0468","","","0.0984","0.1111","","","","","","1.04","","","","has coordinates","191636","2020-10-21","18:00:00",""
"7041324","11.2804","0.0002","15.7016","0.0003","15.5827","0.0003","90","","95.7601","0.0018","90","","2746.08","0.09","100.02","0.1","100.02","0.1","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C64 H58 Dy2 N4 O12 -","- C64 H58 Dy2 N4 O12 -","- C128 H116 Dy4 N8 O24 -","2","0.5","","Zhang, Kun; Liu, Dan; Vieru, Veacheslav; Hou, Lei; Cui, Bin; Guo, Fu-Sheng; Chibotaru, Liviu F.; Wang, Yao-Yu","Transitions of two magnetic interaction states in dinuclear Dy(iii) complexes via subtle structural variations.","Dalton transactions (Cambridge, England : 2003)","2017","46","3","638","642","10.1039/c6dt04490e","","x-ray","0.71073","MoKα","","0.0411","0.0322","","","0.0661","0.0706","","","","","","1.036","","","","has coordinates","191636","2020-10-21","18:00:00",""
"7041325","19.0345","0.0002","19.0345","0.0002","41.0567","0.0005","90","","90","","120","","12882.4","0.2","130","2","130","2","","","","","","","","6","R -3 :H","-R 3","148","","","","- C81 H75 Cl6 Na O27 Zn4 -","- C81 H63 Cl6 Na O24 Zn4 -","- C486 H378 Cl36 Na6 O144 Zn24 -","6","0.333333","","Zavakhina, Marina S.; Yushina, Irina V.; Samsonenko, Denis G.; Dybtsev, Danil N.; Fedin, Vladimir P.; Argent, Stephen P.; Blake, Alexander J.; Schröder, Martin","Halochromic coordination polymers based on a triarylmethane dye for reversible detection of acids.","Dalton transactions (Cambridge, England : 2003)","2017","46","2","465","470","10.1039/c6dt03969c","","x-ray","0.71073","MoKα","","0.0489","0.0392","","","0.11","0.1169","","","","","","1.054","","","","has coordinates","191592","2020-10-21","18:00:00",""
"7041326","36.5743","0.0005","36.5743","0.0005","52.9725","0.0016","90","","90","","90","","70860","3","120","2","120","2","","","","","","","","5","I 41/a c d","-I 4bd 2c","142","","","","- C73 H66 Cl6 O27 Zn3 -","- C73 H53 Cl6 O27 Zn3 -","- C2336 H1696 Cl192 O864 Zn96 -","32","","","Zavakhina, Marina S.; Yushina, Irina V.; Samsonenko, Denis G.; Dybtsev, Danil N.; Fedin, Vladimir P.; Argent, Stephen P.; Blake, Alexander J.; Schröder, Martin","Halochromic coordination polymers based on a triarylmethane dye for reversible detection of acids.","Dalton transactions (Cambridge, England : 2003)","2017","46","2","465","470","10.1039/c6dt03969c","","x-ray","1.54184","CuKα","","0.2346","0.2093","","","0.4662","0.489","","","","","","1.782","","","","has coordinates","191592","2020-10-21","18:00:00",""
"7041330","33.363","0.008","33.363","0.008","39.701","0.013","90","","90","","90","","44191","2","298","2","298","2","","","","","","","","7","I 41/a c d","-I 4bd 2c","142","complex1","","","- C176 H144 Cl12 F16 O34 Se16 Zr12 -","- C176 H144 Cl12 F16 O34 Se16 Zr12 -","- C1408 H1152 Cl96 F128 O272 Se128 Zr96 -","8","","","Yao, Nian-Tao; Zhang, Ru-Fen; Zhang, Shao-Liang; Li, Qian-Li; Ma, Chun-Lin","A novel octa-nuclear 32-membered zirconocene macrocycle based on the aromatic selenite.","Dalton transactions (Cambridge, England : 2003)","2017","46","2","524","528","10.1039/c6dt04061f","","","0.71073","MoKα","","0.1439","0.0547","","","0.1007","0.109","","","","","","1.043","","","","has coordinates","191586","2020-10-21","18:00:00",""
"7041345","9.553","0.0003","11.3416","0.0003","10.3481","0.0004","90","","107.428","0.004","90","","1069.71","0.06","100","2","100","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C22 H30 B2 O4 -","- C22 H30 B2 O4 -","- C44 H60 B4 O8 -","2","0.5","","Justyniak, Iwona; Prochowicz, Daniel; Tulewicz, Adam; Bury, Wojciech; Goś, Piotr; Lewiński, Janusz","Structure investigations of group 13 organometallic carboxylates.","Dalton transactions (Cambridge, England : 2003)","2017","46","3","669","677","10.1039/c6dt03958h","","","1.54184","CuKα","","0.04","0.0356","","","0.0939","0.0968","","","","","","1.062","","","","has coordinates","191646","2020-10-21","18:00:00",""
"7041346","7.417","0.0003","8.6964","0.0008","9.1984","0.0008","117.254","0.009","109.439","0.006","94.798","0.006","477.25","0.09","100","2","100","2","","","","","","","","4","P -1","-P 1","2","","","","- C18 H22 Al2 O4 -","- C18 H22 Al2 O4 -","- C18 H22 Al2 O4 -","1","0.5","","Justyniak, Iwona; Prochowicz, Daniel; Tulewicz, Adam; Bury, Wojciech; Goś, Piotr; Lewiński, Janusz","Structure investigations of group 13 organometallic carboxylates.","Dalton transactions (Cambridge, England : 2003)","2017","46","3","669","677","10.1039/c6dt03958h","","","0.71073","MoKα","","0.0425","0.0386","","","0.106","0.1097","","","","","","1.051","","","","has coordinates","191646","2020-10-21","18:00:00",""
"7041347","13.295","0.0003","14.312","0.0003","17.253","0.0003","90","","104.228","0.001","90","","3182.17","0.11","100","2","100","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C17 H22 B N O2 -","- C17 H22 B N O2 -","- C136 H176 B8 N8 O16 -","8","2","","Justyniak, Iwona; Prochowicz, Daniel; Tulewicz, Adam; Bury, Wojciech; Goś, Piotr; Lewiński, Janusz","Structure investigations of group 13 organometallic carboxylates.","Dalton transactions (Cambridge, England : 2003)","2017","46","3","669","677","10.1039/c6dt03958h","","","0.71073","MoKα","","0.0674","0.062","","","0.1606","0.1647","","","","","","1.108","","","","has coordinates","191646","2020-10-21","18:00:00",""
"7041348","7.214","0.0005","10.34","0.0006","10.905","0.0007","81.727","0.003","77.086","0.002","71.565","0.003","749.81","0.08","451","2","451","2","","","","","","","","5","P -1","-P 1","2","","","","- C15 H18 Al N O2 -","- C15 H18 Al N O2 -","- C30 H36 Al2 N2 O4 -","2","1","","Justyniak, Iwona; Prochowicz, Daniel; Tulewicz, Adam; Bury, Wojciech; Goś, Piotr; Lewiński, Janusz","Structure investigations of group 13 organometallic carboxylates.","Dalton transactions (Cambridge, England : 2003)","2017","46","3","669","677","10.1039/c6dt03958h","","","0.71073","MoKα","","0.0678","0.0612","","","0.1573","0.162","","","","","","1.086","","","","has coordinates","191646","2020-10-21","18:00:00",""
"7041349","17.105","0.0017","9.712","0.0007","11.522","0.001","90","","129.322","0.004","90","","1480.7","0.2","100","2","100","2","","","","","","","","5","C 1 c 1","C -2yc","9","","","","- C15 H18 Ga N O2 -","- C15 H18 Ga N O2 -","- C60 H72 Ga4 N4 O8 -","4","1","","Justyniak, Iwona; Prochowicz, Daniel; Tulewicz, Adam; Bury, Wojciech; Goś, Piotr; Lewiński, Janusz","Structure investigations of group 13 organometallic carboxylates.","Dalton transactions (Cambridge, England : 2003)","2017","46","3","669","677","10.1039/c6dt03958h","","","0.71073","MoKα","","0.0698","0.0612","","","0.1261","0.1318","","","","","","1.06","","","","has coordinates","191646","2020-10-21","18:00:00",""
"7041350","9.658","0.0003","13.2919","0.0004","10.1121","0.0003","90","","98.764","0.001","90","","1282.97","0.07","180","2","180","2","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C22 H22 Cl2 Li2 N4 O2 P2 -","- C22 H22 Cl2 Li2 N4 O2 P2 -","- C44 H44 Cl4 Li4 N8 O4 P4 -","2","0.5","","Hanf, S.; García-Rodríguez, R; Feldmann, S.; Bond, A. D.; Hey-Hawkins, E; Wright, D. S.","Multidentate 2-pyridyl-phosphine ligands - towards ligand tuning and chirality.","Dalton transactions (Cambridge, England : 2003)","2017","46","3","814","824","10.1039/c6dt04390a","","","1.54178","CuKα","","0.0423","0.0373","","","0.1028","0.1062","","","","","","1.067","","","","has coordinates","191625","2020-10-21","18:00:00",""
"7041351","10.351","0.0002","10.4256","0.0002","20.5378","0.0004","90","","92.868","0.001","90","","2213.57","0.07","180","2","180","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C34 H44 Cu2 F12 N6 O2 P4 -","- C34 H44 Cu2 F12 N6 O2 P4 -","- C68 H88 Cu4 F24 N12 O4 P8 -","2","0.5","","Hanf, S.; García-Rodríguez, R; Feldmann, S.; Bond, A. D.; Hey-Hawkins, E; Wright, D. S.","Multidentate 2-pyridyl-phosphine ligands - towards ligand tuning and chirality.","Dalton transactions (Cambridge, England : 2003)","2017","46","3","814","824","10.1039/c6dt04390a","","","1.54178","CuKα","","0.0364","0.0288","","","0.071","0.0755","","","","","","1.022","","","","has coordinates","191625","2020-10-21","18:00:00",""
"7041352","10.9913","0.0003","11.7487","0.0003","12.2632","0.0004","105.486","0.0014","99.1063","0.0014","115.139","0.0013","1312.84","0.07","180","2","180","2","","","","","","","","7","P -1","-P 1","2","","","","- C40 H60 Cl6 Li6 N6 O4 P2 -","- C40 H60 Cl6 Li6 N6 O4 P2 -","- C40 H60 Cl6 Li6 N6 O4 P2 -","1","0.5","","Hanf, S.; García-Rodríguez, R; Feldmann, S.; Bond, A. D.; Hey-Hawkins, E; Wright, D. S.","Multidentate 2-pyridyl-phosphine ligands - towards ligand tuning and chirality.","Dalton transactions (Cambridge, England : 2003)","2017","46","3","814","824","10.1039/c6dt04390a","","","1.54178","CuKα","","0.0625","0.0455","","","0.1153","0.1246","","","","","","1.046","","","","has coordinates","191625","2020-10-21","18:00:00",""
"7041353","13.4157","0.0004","18.3267","0.0006","20.2257","0.0006","90","","91.545","0.0018","90","","4971","0.3","180","2","180","2","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C94 H96 Cu4 F12 N6 O16 P8 -","- C94 H96 Cu4 F12 N6 O16 P8 -","- C188 H192 Cu8 F24 N12 O32 P16 -","2","0.5","","Hanf, S.; García-Rodríguez, R; Feldmann, S.; Bond, A. D.; Hey-Hawkins, E; Wright, D. S.","Multidentate 2-pyridyl-phosphine ligands - towards ligand tuning and chirality.","Dalton transactions (Cambridge, England : 2003)","2017","46","3","814","824","10.1039/c6dt04390a","","","1.5418","CuKα","","0.1046","0.0736","","","0.159","0.1786","","","","","","1.063","","","","has coordinates,has disorder","191625","2020-10-21","18:00:00",""
"7041354","8.9283","0.0005","9.4929","0.0006","9.5208","0.0006","108.092","0.003","109.909","0.002","91.05","0.003","714.22","0.08","180","2","180","2","","","","","","","","7","P -1","-P 1","2","","","","- C24 H30 Cl2 Cu2 N4 O4 P2 -","- C24 H30 Cl2 Cu2 N4 O4 P2 -","- C24 H30 Cl2 Cu2 N4 O4 P2 -","1","0.5","","Hanf, S.; García-Rodríguez, R; Feldmann, S.; Bond, A. D.; Hey-Hawkins, E; Wright, D. S.","Multidentate 2-pyridyl-phosphine ligands - towards ligand tuning and chirality.","Dalton transactions (Cambridge, England : 2003)","2017","46","3","814","824","10.1039/c6dt04390a","","","1.54184","CuKα","","0.037","0.0318","","","0.085","0.0885","","","","","","1.089","","","","has coordinates","191625","2020-10-21","18:00:00",""
"7041355","19.1423","0.0014","8.0771","0.0006","22.2684","0.0018","90","","104.894","0.004","90","","3327.3","0.4","180","2","180","2","","","","","","","","7","I 1 2/a 1","-I 2ya","15","","","","- C28 H34 Cl2 Li2 N4 O2 P2 -","- C28 H34 Cl2 Li2 N4 O2 P2 -","- C112 H136 Cl8 Li8 N16 O8 P8 -","4","0.5","","Hanf, S.; García-Rodríguez, R; Feldmann, S.; Bond, A. D.; Hey-Hawkins, E; Wright, D. S.","Multidentate 2-pyridyl-phosphine ligands - towards ligand tuning and chirality.","Dalton transactions (Cambridge, England : 2003)","2017","46","3","814","824","10.1039/c6dt04390a","","","1.54178","CuKα","","0.1085","0.0719","","","0.1768","0.2042","","","","","","1.059","","","","has coordinates,has disorder","191625","2020-10-21","18:00:00",""
"7041356","14.9241","0.0005","15.6614","0.0005","15.8894","0.0005","96.5105","0.0017","105.792","0.0016","99.4915","0.0016","3475.4","0.2","180","2","180","2","","","","","","","","7","P -1","-P 1","2","","","","- C63 H65.64 Cu2 F12 N4 O8.5 P5 -","- C63 H65.634 Cu2 F12 N4 O8.5 P5 -","- C126 H131.268 Cu4 F24 N8 O17 P10 -","2","1","","Hanf, S.; García-Rodríguez, R; Feldmann, S.; Bond, A. D.; Hey-Hawkins, E; Wright, D. S.","Multidentate 2-pyridyl-phosphine ligands - towards ligand tuning and chirality.","Dalton transactions (Cambridge, England : 2003)","2017","46","3","814","824","10.1039/c6dt04390a","","","1.54178","CuKα","","0.0667","0.0494","","","0.1248","0.1405","","","","","","1.022","","","","has coordinates,has disorder","191625","2020-10-21","18:00:00",""
"7041357","11.0995","0.0005","9.0222","0.0005","21.4868","0.001","90","","94.122","0.002","90","","2146.16","0.18","180","2","180","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C30 H54 Cu2 F12 N8 P4 -","- C30 H54 Cu2 F12 N8 P4 -","- C60 H108 Cu4 F24 N16 P8 -","2","0.5","","Hanf, S.; García-Rodríguez, R; Feldmann, S.; Bond, A. D.; Hey-Hawkins, E; Wright, D. S.","Multidentate 2-pyridyl-phosphine ligands - towards ligand tuning and chirality.","Dalton transactions (Cambridge, England : 2003)","2017","46","3","814","824","10.1039/c6dt04390a","","","1.54178","CuKα","","0.0496","0.0432","","","0.1107","0.1154","","","","","","1.043","","","","has coordinates","191625","2020-10-21","18:00:00",""
"7041358","30.492","0.0008","15.9861","0.0007","25.7022","0.0013","90","","89.991","0.003","90","","12528.5","0.9","100","2","100","2","","","","","","","","4","C 1 c 1","C -2yc","9","","","","- C64 H40 O21 Tm3 -","- C64 H40 O21 Tm3 -","- C256 H160 O84 Tm12 -","4","1","","Mathis Ii, Stephan R.; Golafale, Saki T.; Bacsa, John; Steiner, Alexander; Ingram, Conrad W.; Doty, F. Patrick; Auden, Elizabeth; Hattar, Khalid","Mesoporous stilbene-based lanthanide metal organic frameworks: synthesis, photoluminescence and radioluminescence characteristics.","Dalton transactions (Cambridge, England : 2003)","2017","46","2","491","500","10.1039/c6dt03755k","","x-ray","0.71073","MoKα","","0.0914","0.0745","","","0.191","0.2053","","","","","","1.055","","","","has coordinates","191583","2020-10-21","18:00:00",""
"7041359","30.6196","0.0011","16.0904","0.0009","25.8822","0.0017","90","","90.008","0.004","90","","12751.7","1.2","100","2","100","2","","","","","","","","4","C 1 c 1","C -2yc","9","","","","- C64 H40 Er3 O21 -","- C64 H40 Er3 O21 -","- C256 H160 Er12 O84 -","4","1","","Mathis Ii, Stephan R.; Golafale, Saki T.; Bacsa, John; Steiner, Alexander; Ingram, Conrad W.; Doty, F. Patrick; Auden, Elizabeth; Hattar, Khalid","Mesoporous stilbene-based lanthanide metal organic frameworks: synthesis, photoluminescence and radioluminescence characteristics.","Dalton transactions (Cambridge, England : 2003)","2017","46","2","491","500","10.1039/c6dt03755k","","x-ray","0.71073","MoKα","","0.1134","0.0803","","","0.2066","0.2307","","","","","","1.031","","","","has coordinates","191583","2020-10-21","18:00:00",""
"7041360","7.16","0.002","34.398","0.011","19.626","0.004","90","","90","","90","","4834","2","150","","150","","","","","","","","","5","C m m m","-C 2 2","65","","","","- C14 H12 Fe0.75 N5.5 O0.5 -","- C14 H12 Fe0.75 N5.5 O0.5 -","- C112 H96 Fe6 N44 O4 -","8","0.5","","Abeykoon, Brian; Grenèche, Jean-Marc; Jeanneau, Erwann; Chernyshov, Dmitry; Goutaudier, Christelle; Demessence, Aude; Devic, Thomas; Fateeva, Alexandra","Tuning the iron redox state inside a microporous porphyrinic metal organic framework.","Dalton transactions (Cambridge, England : 2003)","2017","46","2","517","523","10.1039/c6dt04208b","","x-ray","0.71073","MoKα","","0.124","0.0891","","0.2757","0.215","0.2757","","","","","","1.0065","","","","has coordinates","191589","2020-10-21","18:00:00",""
"7041361","6.753","0.0002","35.275","0.0011","19.2653","0.0009","90","","90","","90","","4589.2","0.3","250","","250","","","","","","","","","5","C m m m","-C 2 2","65","","","","- C52 H24 Fe3 N22 O2 -","- C52 H24 Fe3 N22 O2 -","- C104 H48 Fe6 N44 O4 -","2","0.125","","Abeykoon, Brian; Grenèche, Jean-Marc; Jeanneau, Erwann; Chernyshov, Dmitry; Goutaudier, Christelle; Demessence, Aude; Devic, Thomas; Fateeva, Alexandra","Tuning the iron redox state inside a microporous porphyrinic metal organic framework.","Dalton transactions (Cambridge, England : 2003)","2017","46","2","517","523","10.1039/c6dt04208b","","x-ray","0.95374","synchrotron","","0.0611","0.0529","","0.1349","0.1291","0.1349","","","","","","0.9586","","","","has coordinates","191589","2020-10-21","18:00:00",""
"7041362","30.467","0.006","37.387","0.008","39.171","0.008","90","","93.04","0.03","90","","44556","16","100","2","100","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C720 H600 F72 Ir24 N24 O120 S24 -","- C710 H600 F42 Ir24 N24 O90 S14 -","- C1420 H1200 F84 Ir48 N48 O180 S28 -","2","0.5","","Singh, Nem; Kim, Dongwook; Kim, Dong Hwan; Kim, Eun-Hee; Kim, Hyunuk; Lah, Myoung Soo; Chi, Ki-Whan","Selective synthesis of iridium(iii)-derived molecular Borromean rings, [2]catenane and ring-in-ring macrocycles via coordination-driven self-assembly.","Dalton transactions (Cambridge, England : 2003)","2017","46","2","571","577","10.1039/c6dt04512j","","","0.7","synchrotron","","0.222","0.1766","","","0.4609","0.5092","","","","","","1.949","","","","has coordinates","191591","2020-10-21","18:00:00",""
"7041363","29.999","0.006","41.049","0.008","41.779","0.008","62.53","0.03","86.58","0.03","74.26","0.03","43806","2","100","2","100","2","","","","","","","","7","P -1","-P 1","2","","","","- C116 H96 F12 Ir4 N4 O20 S6 -","- C114.667 H96 F8 Ir4 N4 O16 S4.66667 -","- C1376 H1152 F96 Ir48 N48 O192 S56 -","12","6","","Singh, Nem; Kim, Dongwook; Kim, Dong Hwan; Kim, Eun-Hee; Kim, Hyunuk; Lah, Myoung Soo; Chi, Ki-Whan","Selective synthesis of iridium(iii)-derived molecular Borromean rings, [2]catenane and ring-in-ring macrocycles via coordination-driven self-assembly.","Dalton transactions (Cambridge, England : 2003)","2017","46","2","571","577","10.1039/c6dt04512j","","","0.7","synchrotron","","0.1491","0.1262","","","0.3832","0.4164","","","","","","1.85","","","","has coordinates","205752","2020-10-21","18:00:00",""
"7041364","15.563","0.003","20.963","0.004","21.774","0.004","69.4","0.03","73.98","0.03","70.94","0.03","6180","3","100","2","100","2","","","","","","","","7","P -1","-P 1","2","","","","- C55.25 H43.75 F6 Ir2 N2.5 O13.25 S2 -","- C55 H40.75 F6 Ir2 N2.25 O12.75 S2 -","- C220 H163 F24 Ir8 N9 O51 S8 -","4","2","","Singh, Nem; Kim, Dongwook; Kim, Dong Hwan; Kim, Eun-Hee; Kim, Hyunuk; Lah, Myoung Soo; Chi, Ki-Whan","Selective synthesis of iridium(iii)-derived molecular Borromean rings, [2]catenane and ring-in-ring macrocycles via coordination-driven self-assembly.","Dalton transactions (Cambridge, England : 2003)","2017","46","2","571","577","10.1039/c6dt04512j","","","0.71073","synchrotron","","0.1134","0.0703","","","0.1933","0.2182","","","","","","0.963","","","","has coordinates","191591","2020-10-21","18:00:00",""
"7041365","27.6073","0.0011","14.4511","0.0005","16.2615","0.0007","90","","97.253","0.004","90","","6435.7","0.4","260","0.14","260","0.14","","","","","","","","7","C 1 2/c 1","-C 2yc","15","","","","- C44 H56 Ca2 Cl4 Mn2 N10 O26 -","- C44 H56 Ca2 Cl4 Mn2 N10 O26 -","- C176 H224 Ca8 Cl16 Mn8 N40 O104 -","4","0.5","","Arauzo, Ana; Bartolomé, Elena; Benniston, Andrew C.; Melnic, Silvia; Shova, Sergiu; Luzón, Javier; Alonso, Pablo J.; Barra, Anne-Laure; Bartolomé, Juan","Slow magnetic relaxation in a dimeric Mn2Ca2 complex enabled by the large Mn(iii) rhombicity.","Dalton transactions (Cambridge, England : 2003)","2017","46","3","720","732","10.1039/c6dt02509a","","","0.71073","MoKα","","0.0954","0.0672","","","0.177","0.202","","","","","","1.039","","","","has coordinates,has disorder","191640","2020-10-21","18:00:00",""
"7041366","28.703","0.003","33.963","0.003","24.664","0.003","90","","90","","90","","24043","4","296","2","296","2","","","","","","","","8","P n n m","-P 2 2n","58","","","","- C198 H333 Cl6 N42 Na4 Nd38 Ni42.5 O339 -","- C198 H190 Cl6 N42 Na4 Nd38 Ni42.5 O339 -","- C396 H380 Cl12 N84 Na8 Nd76 Ni85 O678 -","2","0.25","","Lin, Qingfang; Zhang, Yu; Cheng, Weiwei; Liu, Ying; Xu, Yan","Isolation, structure and magnetic properties of two novel core-shell 3d-4f heterometallic nanoscale clusters.","Dalton transactions (Cambridge, England : 2003)","2017","46","3","643","646","10.1039/c6dt04118c","","","0.71073","MoKα","","0.1631","0.0688","","","0.1723","0.2109","","","","","","1.016","","","","has coordinates,has disorder","191641","2020-10-21","18:00:00",""
"7041367","22.761","0.002","28.178","0.002","35.469","0.003","90","","101.251","0.001","90","","22311","3","296","2","296","2","","","","","","","","8","P 1 21/n 1","-P 2yn","14","","","","- C180 H377 Cl10 N40 Na Ni38 O331 Pr42 -","- C180 H214 Cl10 N40 Na Ni38 O331 Pr42 -","- C360 H428 Cl20 N80 Na2 Ni76 O662 Pr84 -","2","0.5","","Lin, Qingfang; Zhang, Yu; Cheng, Weiwei; Liu, Ying; Xu, Yan","Isolation, structure and magnetic properties of two novel core-shell 3d-4f heterometallic nanoscale clusters.","Dalton transactions (Cambridge, England : 2003)","2017","46","3","643","646","10.1039/c6dt04118c","","","0.71073","MoKα","","0.1391","0.0726","","","0.181","0.208","","","","","","1.085","","","","has coordinates","191641","2020-10-21","18:00:00",""
"7041368","41.307","0.002","7.907","0.0005","23.6364","0.0013","90","","99.987","0.001","90","","7603","0.7","293","2","293","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C32 H43 Dy N6 O18 -","- C32 H43 Dy N6 O18 -","- C256 H344 Dy8 N48 O144 -","8","1","","Guo, Mei; Wang, Yue; Wu, Jianfeng; Zhao, Lang; Tang, Jinkui","Structures and magnetic properties of dysprosium complexes: the effect of crystallization temperature.","Dalton transactions (Cambridge, England : 2003)","2017","46","2","564","570","10.1039/c6dt04268f","","","0.71073","MoKα","","0.0616","0.0437","","","0.0928","0.1044","","","","","","1.015","","","","has coordinates","191597","2020-10-21","18:00:00",""
"7041369","12.324","0.002","12.526","0.002","12.897","0.002","95.92","0.004","106.142","0.003","94.254","0.004","1891.2","0.5","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C62 H82 Dy2 N12 O36 -","- C62 H82 Dy2 N12 O36 -","- C62 H82 Dy2 N12 O36 -","1","0.5","","Guo, Mei; Wang, Yue; Wu, Jianfeng; Zhao, Lang; Tang, Jinkui","Structures and magnetic properties of dysprosium complexes: the effect of crystallization temperature.","Dalton transactions (Cambridge, England : 2003)","2017","46","2","564","570","10.1039/c6dt04268f","","","0.71073","MoKα","","0.1192","0.0758","","","0.1748","0.2027","","","","","","0.976","","","","has coordinates","191597","2020-10-21","18:00:00",""
"7041370","8.7232","0.0008","10.0127","0.0009","11.959","0.0011","69.324","0.007","82.127","0.007","73.574","0.007","936.57","0.16","210","2","210","2","","","","","","","","6","P -1","-P 1","2","","","","- C20.5 H52 N2 O22.5 S2 V4 -","- C20.5 H52 N2 O22.5 S2 V4 -","- C20.5 H52 N2 O22.5 S2 V4 -","1","0.5","","Nachtigall, Olaf; Hagenbach, Adelheid; Wiecko, Jelena; Lentz, Dieter; Abram, Ulrich; Spandl, Johann","Functional polyoxometalates from solvothermal reactions of VOSO4 with tripodal alkoxides - a study on the reactivity of different ""tris"" derivatives.","Dalton transactions (Cambridge, England : 2003)","2017","46","2","509","516","10.1039/c6dt03638d","","","0.71073","MoKα","","0.0467","0.039","","","0.1165","0.1202","","","","","","1.061","","","","has coordinates,has disorder","191582","2020-10-21","18:00:00",""
"7041371","22.978","0.002","18.4636","0.0013","10.5713","0.0009","90","","91.738","0.007","90","","4482.9","0.6","210","2","210","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C20 H48 Br2 N2 O20 S2 V4 -","- C20 H48 Br2 N2 O20 S2 V4 -","- C80 H192 Br8 N8 O80 S8 V16 -","4","1","","Nachtigall, Olaf; Hagenbach, Adelheid; Wiecko, Jelena; Lentz, Dieter; Abram, Ulrich; Spandl, Johann","Functional polyoxometalates from solvothermal reactions of VOSO4 with tripodal alkoxides - a study on the reactivity of different ""tris"" derivatives.","Dalton transactions (Cambridge, England : 2003)","2017","46","2","509","516","10.1039/c6dt03638d","","","0.71073","MoKα","","0.1467","0.0923","","","0.2437","0.2776","","","","","","0.925","","","","has coordinates","191582","2020-10-21","18:00:00",""
"7041372","10.67","0.002","11.411","0.002","11.905","0.002","92.03","0.01","110.13","0.01","107.54","0.01","1281.9","0.4","210","2","210","2","","","","","","","","6","P -1","-P 1","2","","","","- C32 H72 N4 O26 S2 V4 -","- C32 H72 N4 O26 S2 V4 -","- C32 H72 N4 O26 S2 V4 -","1","0.5","","Nachtigall, Olaf; Hagenbach, Adelheid; Wiecko, Jelena; Lentz, Dieter; Abram, Ulrich; Spandl, Johann","Functional polyoxometalates from solvothermal reactions of VOSO4 with tripodal alkoxides - a study on the reactivity of different ""tris"" derivatives.","Dalton transactions (Cambridge, England : 2003)","2017","46","2","509","516","10.1039/c6dt03638d","","","0.71073","MoKα","","0.1316","0.0605","","","0.119","0.1448","","","","","","0.909","","","","has coordinates","191582","2020-10-21","18:00:00",""
"7041373","17.8617","0.001","23.0313","0.0014","10.4655","0.0006","90","","90","","90","","4305.3","0.4","210","2","210","2","","","","","","","","6","P c c n","-P 2ab 2ac","56","","","","- C22 H56 N8 O22 S2 V4 -","- C22 H56 N8 O22 S2 V4 -","- C88 H224 N32 O88 S8 V16 -","4","0.5","","Nachtigall, Olaf; Hagenbach, Adelheid; Wiecko, Jelena; Lentz, Dieter; Abram, Ulrich; Spandl, Johann","Functional polyoxometalates from solvothermal reactions of VOSO4 with tripodal alkoxides - a study on the reactivity of different ""tris"" derivatives.","Dalton transactions (Cambridge, England : 2003)","2017","46","2","509","516","10.1039/c6dt03638d","","","0.71073","MoKα","","0.0754","0.0461","","","0.1044","0.1143","","","","","","1.025","","","","has coordinates","191582","2020-10-21","18:00:00",""
"7041374","11.2883","0.0005","13.4071","0.0007","33.9678","0.0017","90","","92.671","0.003","90","","5135.2","0.4","100","2","100","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C24 H66 N6 O30 S3 V6 -","- C24 H66 N6 O30 S3 V6 -","- C96 H264 N24 O120 S12 V24 -","4","1","","Nachtigall, Olaf; Hagenbach, Adelheid; Wiecko, Jelena; Lentz, Dieter; Abram, Ulrich; Spandl, Johann","Functional polyoxometalates from solvothermal reactions of VOSO4 with tripodal alkoxides - a study on the reactivity of different ""tris"" derivatives.","Dalton transactions (Cambridge, England : 2003)","2017","46","2","509","516","10.1039/c6dt03638d","","","1.54178","CuKα","","0.1093","0.085","","","0.1735","0.1843","","","","","","1.158","","","","has coordinates,has disorder","191582","2020-10-21","18:00:00",""
"7041375","22.0244","0.0017","43.315","0.003","13.8066","0.001","90","","90","","90","","13171.3","1.7","100","2","100","2","","","","","","","","6","I b a m","-I 2 2c","72","","","","- C28 H71 N6 O30 S3 V7 -","- C28 H73 N6 O30 S3 V7 -","- C224 H584 N48 O240 S24 V56 -","8","0.5","","Nachtigall, Olaf; Hagenbach, Adelheid; Wiecko, Jelena; Lentz, Dieter; Abram, Ulrich; Spandl, Johann","Functional polyoxometalates from solvothermal reactions of VOSO4 with tripodal alkoxides - a study on the reactivity of different ""tris"" derivatives.","Dalton transactions (Cambridge, England : 2003)","2017","46","2","509","516","10.1039/c6dt03638d","","","0.71073","MoKα","","0.1044","0.0792","","","0.1673","0.1767","","","","","","1.139","","","","has coordinates,has disorder","191582","2020-10-21","18:00:00",""
"7041376","10.9167","0.0005","8.5362","0.0004","17.1702","0.0008","90","","97.218","0.001","90","","1587.36","0.13","100","2","100","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C14 H42 N2 O24 S2 V4 -","- C14 H42 N2 O24 S2 V4 -","- C28 H84 N4 O48 S4 V8 -","2","0.5","","Nachtigall, Olaf; Hagenbach, Adelheid; Wiecko, Jelena; Lentz, Dieter; Abram, Ulrich; Spandl, Johann","Functional polyoxometalates from solvothermal reactions of VOSO4 with tripodal alkoxides - a study on the reactivity of different ""tris"" derivatives.","Dalton transactions (Cambridge, England : 2003)","2017","46","2","509","516","10.1039/c6dt03638d","","","0.71073","MoKα","","0.0457","0.0377","","","0.0931","0.0978","","","","","","1.074","","","","has coordinates,has disorder","191582","2020-10-21","18:00:00",""
"7041377","10.879","0.002","14.4229","0.0018","18.4","0.003","90","","108.582","0.011","90","","2736.6","0.8","293","2","293","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C36 H72 O24 Ti6 -","- C36 H70 O24 Ti6 -","- C72 H140 O48 Ti12 -","2","0.5","","Fang, Wei-Hui; Zhang, Lei; Zhang, Jian","Synthetic investigation, structural analysis and photocatalytic study of a carboxylate-phosphonate bridged Ti18-oxo cluster.","Dalton transactions (Cambridge, England : 2003)","2017","46","3","803","807","10.1039/c6dt04474c","","","0.71073","MoKα","","0.0567","0.0476","","","0.1295","0.1377","","","","","","1.045","","","","has coordinates","191634","2020-10-21","18:00:00",""
"7041378","14.013","0.007","14.568","0.009","21.464","0.015","82.47","0.02","76.55","0.03","67.69","0.02","3938","4","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C102 H190 O72 P2 Ti18 -","- C102 H160 O72 P2 Ti18 -","- C102 H160 O72 P2 Ti18 -","1","0.5","","Fang, Wei-Hui; Zhang, Lei; Zhang, Jian","Synthetic investigation, structural analysis and photocatalytic study of a carboxylate-phosphonate bridged Ti18-oxo cluster.","Dalton transactions (Cambridge, England : 2003)","2017","46","3","803","807","10.1039/c6dt04474c","","","0.71073","MoKα","","0.273","0.1189","","","0.2732","0.3622","","","","","","1.016","","","","has coordinates","191634","2020-10-21","18:00:00",""
"7041379","7.4325","0.0003","25.404","0.0009","12.2332","0.0004","90","","93.003","0.003","90","","2306.64","0.15","293","2","293","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C21 H17 Cl F6 N7 Ni P -","- C21 H17 Cl F6 N7 Ni P -","- C84 H68 Cl4 F24 N28 Ni4 P4 -","4","1","","Gu, Shaojin; Du, Jiehao; Huang, Jingjing; Guo, Yun; Yang, Ling; Xu, Weilin; Chen, Wanzhi","Unsymmetrical NCN-pincer mononuclear and dinuclear nickel(ii) complexes of N-heterocyclic carbene (NHC): synthesis, structure and catalysis for Suzuki-Miyaura cross-coupling.","Dalton transactions (Cambridge, England : 2003)","2017","46","2","586","594","10.1039/c6dt03944h","","","1.54184","CuKα","","0.0763","0.0623","","","0.1665","0.1852","","","","","","1.085","","","","has coordinates","191587","2020-10-21","18:00:00",""
"7041380","7.4549","0.001","9.4911","0.0015","15.3162","0.0019","85.011","0.002","80.161","0.001","77.48","0.001","1041","0.3","298","2","298","2","","","","","","","","7","P -1","-P 1","2","","","","- C17 H15 Cl F6 N7 Ni P -","- C17 H15 Cl F6 N7 Ni P -","- C34 H30 Cl2 F12 N14 Ni2 P2 -","2","1","","Gu, Shaojin; Du, Jiehao; Huang, Jingjing; Guo, Yun; Yang, Ling; Xu, Weilin; Chen, Wanzhi","Unsymmetrical NCN-pincer mononuclear and dinuclear nickel(ii) complexes of N-heterocyclic carbene (NHC): synthesis, structure and catalysis for Suzuki-Miyaura cross-coupling.","Dalton transactions (Cambridge, England : 2003)","2017","46","2","586","594","10.1039/c6dt03944h","","","0.71073","MoKα","","0.0968","0.0572","","","0.1399","0.1696","","","","","","1.056","","","","has coordinates,has disorder","191587","2020-10-21","18:00:00",""
"7041381","14.512","0.0008","9.4393","0.0003","34.1126","0.0019","90","","93.582","0.005","90","","4663.7","0.4","293","2","293","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C18 H16 Cl F6 N7.5 Ni P -","- C18.5 H16 Cl F6 N7 Ni P -","- C148 H128 Cl8 F48 N56 Ni8 P8 -","8","2","","Gu, Shaojin; Du, Jiehao; Huang, Jingjing; Guo, Yun; Yang, Ling; Xu, Weilin; Chen, Wanzhi","Unsymmetrical NCN-pincer mononuclear and dinuclear nickel(ii) complexes of N-heterocyclic carbene (NHC): synthesis, structure and catalysis for Suzuki-Miyaura cross-coupling.","Dalton transactions (Cambridge, England : 2003)","2017","46","2","586","594","10.1039/c6dt03944h","","","1.54184","CuKα","","0.1204","0.0746","","","0.2072","0.253","","","","","","1.021","","","","has coordinates","202518","2020-10-21","18:00:00",""
"7041382","10.187","0.001","12.8538","0.0011","19.2945","0.0017","93.155","0.007","98.282","0.008","108.215","0.008","2361.3","0.4","293","2","293","2","","","","","","","","7","P -1","-P 1","2","","","","- C38 H36 F18 N12 Ni2 O P3 -","- C38 H36 F18 N12 Ni2 O P3 -","- C76 H72 F36 N24 Ni4 O2 P6 -","2","1","","Gu, Shaojin; Du, Jiehao; Huang, Jingjing; Guo, Yun; Yang, Ling; Xu, Weilin; Chen, Wanzhi","Unsymmetrical NCN-pincer mononuclear and dinuclear nickel(ii) complexes of N-heterocyclic carbene (NHC): synthesis, structure and catalysis for Suzuki-Miyaura cross-coupling.","Dalton transactions (Cambridge, England : 2003)","2017","46","2","586","594","10.1039/c6dt03944h","","","1.54184","CuKα","","0.1673","0.0901","","","0.2089","0.3038","","","","","","1.039","","","","has coordinates","191587","2020-10-21","18:00:00",""
"7041383","12.6109","0.0006","12.8032","0.0006","15.6696","0.0008","89.022","0.004","75.221","0.004","81.746","0.004","2420.5","0.2","293","2","293","2","","","","","","","","6","P -1","-P 1","2","","","","- C44 H37 F12 N15 Ni P2 -","- C44 H37 F12 N15 Ni P2 -","- C88 H74 F24 N30 Ni2 P4 -","2","1","","Gu, Shaojin; Du, Jiehao; Huang, Jingjing; Guo, Yun; Yang, Ling; Xu, Weilin; Chen, Wanzhi","Unsymmetrical NCN-pincer mononuclear and dinuclear nickel(ii) complexes of N-heterocyclic carbene (NHC): synthesis, structure and catalysis for Suzuki-Miyaura cross-coupling.","Dalton transactions (Cambridge, England : 2003)","2017","46","2","586","594","10.1039/c6dt03944h","","","0.71073","MoKα","","0.096","0.0699","","","0.1863","0.2139","","","","","","1.02","","","","has coordinates","191587","2020-10-21","18:00:00",""
"7041384","10.201","0.002","15.645","0.003","19.716","0.004","89.845","0.003","81.636","0.003","71.188","0.003","2943.5","1","293","2","293","2","","","","","","","","7","P -1","-P 1","2","","","","- C49 H47 F18 N13 Ni2 O2 P3 -","- C49 H47 F18 N13 Ni2 O2 P3 -","- C98 H94 F36 N26 Ni4 O4 P6 -","2","1","","Gu, Shaojin; Du, Jiehao; Huang, Jingjing; Guo, Yun; Yang, Ling; Xu, Weilin; Chen, Wanzhi","Unsymmetrical NCN-pincer mononuclear and dinuclear nickel(ii) complexes of N-heterocyclic carbene (NHC): synthesis, structure and catalysis for Suzuki-Miyaura cross-coupling.","Dalton transactions (Cambridge, England : 2003)","2017","46","2","586","594","10.1039/c6dt03944h","","","0.71073","MoKα","","0.1227","0.0729","","","0.1877","0.2186","","","","","","1.056","","","","has coordinates","191587","2020-10-21","18:00:00",""
"7041385","10.2719","0.0018","11.226","0.002","13.006","0.002","104.179","0.003","100.409","0.003","108.847","0.003","1319.8","0.4","293","2","293","2","","","","","","","","7","P -1","-P 1","2","","","","- C24 H21 Cl F6 N7 Ni P -","- C24 H21 Cl F6 N7 Ni P -","- C48 H42 Cl2 F12 N14 Ni2 P2 -","2","1","","Gu, Shaojin; Du, Jiehao; Huang, Jingjing; Guo, Yun; Yang, Ling; Xu, Weilin; Chen, Wanzhi","Unsymmetrical NCN-pincer mononuclear and dinuclear nickel(ii) complexes of N-heterocyclic carbene (NHC): synthesis, structure and catalysis for Suzuki-Miyaura cross-coupling.","Dalton transactions (Cambridge, England : 2003)","2017","46","2","586","594","10.1039/c6dt03944h","","","0.71073","MoKα","","0.0704","0.0534","","","0.1352","0.1496","","","","","","1.06","","","","has coordinates","191587","2020-10-21","18:00:00",""
"7041386","20.7166","0.0005","12.4767","0.0003","20.5881","0.0003","90","","109.315","0.002","90","","5022","0.2","105.1","0.14","105.1","0.14","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C47 H48 B2 F8 N3 Ni P3 -","- C47 H48 B2 F8 N3 Ni P3 -","- C188 H192 B8 F32 N12 Ni4 P12 -","4","1","","Petuker, Anette; Mebs, Stefan; Schuth, Nils; Gerschel, Philipp; Reback, Matthew L.; Mallick, Bert; van Gastel, Maurice; Haumann, Michael; Apfel, Ulf-Peter","Spontaneous Si-C bond cleavage in (Triphos(Si))-nickel complexes.","Dalton transactions (Cambridge, England : 2003)","2017","46","3","907","917","10.1039/c6dt04048a","","x-ray","1.54184","CuKα","","0.0499","0.0463","","","0.1227","0.1272","","","","","","1.0492","","","","has coordinates","191645","2020-10-21","18:00:00",""
"7041387","10.3301","0.0001","20.6239","0.0002","23.6859","0.0002","90","","90.01","0.02","90","","5046.21","0.08","293","2","293","2","","","","","","","","8","P 1 21/c 1","-P 2ybc","14","Triphos(Si)Ni(CH2PPh2) BF4","Triphos(Si)Ni(CH2PPh2) BF4","","- C55 H54 B F4 N Ni P4 Si -","- C55 H54 B F4 N Ni P4 Si -","- C220 H216 B4 F16 N4 Ni4 P16 Si4 -","4","1","","Petuker, Anette; Mebs, Stefan; Schuth, Nils; Gerschel, Philipp; Reback, Matthew L.; Mallick, Bert; van Gastel, Maurice; Haumann, Michael; Apfel, Ulf-Peter","Spontaneous Si-C bond cleavage in (Triphos(Si))-nickel complexes.","Dalton transactions (Cambridge, England : 2003)","2017","46","3","907","917","10.1039/c6dt04048a","","","1.54184","CuKα","","0.0342","0.0331","","","0.0838","0.0846","","","","","","1.049","","","","has coordinates,has disorder","191645","2020-10-21","18:00:00",""
"7041388","20.7","0.02","10.259","0.011","16.853","0.016","90","","90","","90","","3579","6","293","","293","","","","","","","","","5","P n a 21","P 2c -2n","33","Triphos(C)NiCl","Triphos(C)NiCl","","- C41 H39 Cl Ni P3 -","- C41 H39 Cl Ni P3 -","- C164 H156 Cl4 Ni4 P12 -","4","1","","Petuker, Anette; Mebs, Stefan; Schuth, Nils; Gerschel, Philipp; Reback, Matthew L.; Mallick, Bert; van Gastel, Maurice; Haumann, Michael; Apfel, Ulf-Peter","Spontaneous Si-C bond cleavage in (Triphos(Si))-nickel complexes.","Dalton transactions (Cambridge, England : 2003)","2017","46","3","907","917","10.1039/c6dt04048a","","","0.71075","MoKα","","0.075","0.055","","","0.1183","0.1412","","","","","","1.097","","","","has coordinates","191645","2020-10-21","18:00:00",""
"7041389","33.558","0.002","33.558","0.002","33.558","0.002","90","","90","","90","","37791","4","293","2","293","2","","","","","","","","7","F d -3 :2","-F 2uv 2vw 3","203","Triphos_C_NiCl BF4","Triphos_C_NiCl BF4","","- C41 H39 B Cl F4 Ni P3 -","- C41 H39 B Cl F4 Ni P3 -","- C1312 H1248 B32 Cl32 F128 Ni32 P96 -","32","0.333333","","Petuker, Anette; Mebs, Stefan; Schuth, Nils; Gerschel, Philipp; Reback, Matthew L.; Mallick, Bert; van Gastel, Maurice; Haumann, Michael; Apfel, Ulf-Peter","Spontaneous Si-C bond cleavage in (Triphos(Si))-nickel complexes.","Dalton transactions (Cambridge, England : 2003)","2017","46","3","907","917","10.1039/c6dt04048a","","","0.71073","MoKα","","0.0946","0.0401","","","0.089","0.0984","","","","","","0.825","","","","has coordinates","191645","2020-10-21","18:00:00",""
"7041390","10.2603","0.0018","17.719","0.002","10.385","0.002","90","","105.514","0.015","90","","1819.2","0.5","170","2","170","2","","","","","","","","6","P 1 21 1","P 2yb","4","TrophosNiBr","TriphosNiBr","","- C40 H39 Br Ni P3 Si -","- C40 H39 Br Ni P3 Si -","- C80 H78 Br2 Ni2 P6 Si2 -","2","1","","Petuker, Anette; Mebs, Stefan; Schuth, Nils; Gerschel, Philipp; Reback, Matthew L.; Mallick, Bert; van Gastel, Maurice; Haumann, Michael; Apfel, Ulf-Peter","Spontaneous Si-C bond cleavage in (Triphos(Si))-nickel complexes.","Dalton transactions (Cambridge, England : 2003)","2017","46","3","907","917","10.1039/c6dt04048a","","","0.71073","MoKα","","0.045","0.0335","","","0.0668","0.0692","","","","","","0.882","","","","has coordinates","191645","2020-10-21","18:00:00",""
"7041391","21.1905","0.0006","13.5221","0.0004","11.3801","0.0003","90","","90","","90","","3260.85","0.16","170","2","170","2","","","","","","","","7","P n a 21","P 2c -2n","33","","","","- C15 H47 B2 F8 Ni O6 P5 -","- C15 H47 B2 F8 Ni O6 P5 -","- C60 H188 B8 F32 Ni4 O24 P20 -","4","1","","Petuker, Anette; Mebs, Stefan; Schuth, Nils; Gerschel, Philipp; Reback, Matthew L.; Mallick, Bert; van Gastel, Maurice; Haumann, Michael; Apfel, Ulf-Peter","Spontaneous Si-C bond cleavage in (Triphos(Si))-nickel complexes.","Dalton transactions (Cambridge, England : 2003)","2017","46","3","907","917","10.1039/c6dt04048a","","","0.71073","MoKα","","0.0538","0.0497","","","0.1347","0.1398","","","","","","1.069","","","","has coordinates,has disorder","191645","2020-10-21","18:00:00",""
"7041392","33.108","0.003","33.108","0.003","33.108","0.003","90","","90","","90","","36291","6","293","2","293","2","","","","","","","","7","F -4 3 c","F -4a 2 3","219","TriphosNiCl ClO4","TriphosNiCl ClO4","","- C40 H39 Cl2 Ni O4 P3 Si -","- C40 H38.97 Cl2 Ni O4 P3 Si -","- C1280 H1247.04 Cl64 Ni32 O128 P96 Si32 -","32","0.333333","","Petuker, Anette; Mebs, Stefan; Schuth, Nils; Gerschel, Philipp; Reback, Matthew L.; Mallick, Bert; van Gastel, Maurice; Haumann, Michael; Apfel, Ulf-Peter","Spontaneous Si-C bond cleavage in (Triphos(Si))-nickel complexes.","Dalton transactions (Cambridge, England : 2003)","2017","46","3","907","917","10.1039/c6dt04048a","","","0.71073","MoKα","","0.111","0.083","","","0.2256","0.2451","","","","","","0.923","","","","has coordinates,has disorder","191645","2020-10-21","18:00:00",""
"7041393","10.1498","0.0003","16.0585","0.0006","19.1814","0.0007","90","","121.948","0.002","90","","2652.83","0.17","108","2","108.2","0.6","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C14 H39 B2 F8 N Ni P4 -","- C14 H39 B2 F8 N Ni P4 -","- C56 H156 B8 F32 N4 Ni4 P16 -","4","1","","Petuker, Anette; Mebs, Stefan; Schuth, Nils; Gerschel, Philipp; Reback, Matthew L.; Mallick, Bert; van Gastel, Maurice; Haumann, Michael; Apfel, Ulf-Peter","Spontaneous Si-C bond cleavage in (Triphos(Si))-nickel complexes.","Dalton transactions (Cambridge, England : 2003)","2017","46","3","907","917","10.1039/c6dt04048a","","x-ray","1.54184","CuKα","","0.051","0.046","","","0.12","0.1244","","","","","","1.042","","","","has coordinates,has disorder","191645","2020-10-21","18:00:00",""
"7041394","11.02","0.004","12.924","0.005","19.504","0.008","93.355","0.006","97.139","0.005","99.558","0.005","2709.1","1.8","153","","153","","","","","","","","","6","P -1","-P 1","2","","","","- C47 H42 Cl3 N7 O14 Zn2 -","- C47 H42 Cl3 N7 O14 Zn2 -","- C94 H84 Cl6 N14 O28 Zn4 -","2","1","","Mikata, Yuji; Takekoshi, Ayaka; Kaneda, Minori; Konno, Hideo; Yasuda, Keiko; Aoyama, Masato; Tamotsu, Satoshi","Replacement of quinolines with isoquinolines affords target metal ion switching from Zn(2+) to Cd(2+) in the fluorescent sensor TQLN (N,N,N',N'-tetrakis(2-quinolylmethyl)-2,6-bis(aminomethyl)pyridine).","Dalton transactions (Cambridge, England : 2003)","2017","46","3","632","637","10.1039/c6dt03948k","","","0.71075","MoKα","","0.089","0.0762","","","0.2019","0.211","","","","","","1.123","","","","has coordinates","191648","2020-10-21","18:00:00",""
"7041395","24.327","0.011","15.586","0.007","21.905","0.009","90","","90.192","0.008","90","","8305","6","293","2","293","2","","","","","","","","7","C 1 2/c 1","-C 2yc","15","","","","- C82 H72 Au2 Cl6 O8 P6 Pt -","- C82 H72 Au2 Cl6 O8 P6 Pt -","- C328 H288 Au8 Cl24 O32 P24 Pt4 -","4","0.5","","Zhang, Li-Yi; Xu, Liang-Jin; Wang, Jin-Yun; Zeng, Xian-Chong; Chen, Zhong-Ning","Photoluminescence and electroluminescence of cationic PtAu2 heterotrinuclear complexes with aromatic acetylides.","Dalton transactions (Cambridge, England : 2003)","2017","46","3","865","874","10.1039/c6dt04249j","","","0.71073","MoKα","","0.0829","0.069","","","0.1528","0.1642","","","","","","1.123","","","","has coordinates","191626","2020-10-21","18:00:00",""
"7041396","38.1049","0.0009","38.1049","0.0009","14.2257","0.0007","90","","90","","90","","20655.5","1.2","293","2","293","2","","","","","","","","7","I 41/a :2","-I 4ad","88","","","","- C91 H90 Au2 Cl8 O8 P6 Pt -","- C88 H84 Au2 Cl2 O8 P6 Pt -","- C704 H672 Au16 Cl16 O64 P48 Pt8 -","8","0.5","","Zhang, Li-Yi; Xu, Liang-Jin; Wang, Jin-Yun; Zeng, Xian-Chong; Chen, Zhong-Ning","Photoluminescence and electroluminescence of cationic PtAu2 heterotrinuclear complexes with aromatic acetylides.","Dalton transactions (Cambridge, England : 2003)","2017","46","3","865","874","10.1039/c6dt04249j","","","0.71073","MoKα","","0.0574","0.0468","","","0.1219","0.1291","","","","","","1.055","","","","has coordinates,has disorder","191626","2020-10-21","18:00:00",""
"7041397","37.941","0.0006","19.9026","0.0004","14.3533","0.0003","90","","90","","90","","10838.5","0.4","293","2","293","2","","","","","","","","5","P b c n","-P 2n 2ab","60","","","","- C32 H29 Cd4 N9 O14 -","- C32 H28 Cd4 N9 O14 -","- C256 H224 Cd32 N72 O112 -","8","1","","Zhang, Jian-Wei; Hu, Man-Cheng; Li, Shu-Ni; Jiang, Yu-Cheng; Zhai, Quan-Guo","Microporous rod metal-organic frameworks with diverse Zn/Cd-triazolate ribbons as secondary building units for CO2 uptake and selective adsorption of hydrocarbons.","Dalton transactions (Cambridge, England : 2003)","2017","46","3","836","844","10.1039/c6dt04433f","","","0.71073","MoKα","","0.0905","0.0763","","","0.1523","0.1572","","","","","","1.141","","","","has coordinates","191627","2020-10-21","18:00:00",""
"7041398","17.4956","0.0008","29.4158","0.0011","35.2708","0.0014","90","","90","","90","","18152","1.3","296","2","296","2","","","","","","","","5","I b c a","-I 2b 2c","73","","","","- C40 H32 Cd5 N20 O16 -","- C40 H32 Cd5 N20 O16 -","- C320 H256 Cd40 N160 O128 -","8","0.5","","Zhang, Jian-Wei; Hu, Man-Cheng; Li, Shu-Ni; Jiang, Yu-Cheng; Zhai, Quan-Guo","Microporous rod metal-organic frameworks with diverse Zn/Cd-triazolate ribbons as secondary building units for CO2 uptake and selective adsorption of hydrocarbons.","Dalton transactions (Cambridge, England : 2003)","2017","46","3","836","844","10.1039/c6dt04433f","","","0.71073","MoKα","","0.0851","0.0627","","","0.1616","0.1699","","","","","","1.042","","","","has coordinates","191627","2020-10-21","18:00:00",""
"7041399","9.477","0.0008","34.8","0.003","25.01","0.002","90","","90","","90","","8248.3","1.2","298","2","298","2","","","","","","","","5","I m m a","-I 2b 2","74","","","","- C40 H24 N12 O16 Zn5 -","- C40 H24 N12 O16 Zn5 -","- C160 H96 N48 O64 Zn20 -","4","0.25","","Zhang, Jian-Wei; Hu, Man-Cheng; Li, Shu-Ni; Jiang, Yu-Cheng; Zhai, Quan-Guo","Microporous rod metal-organic frameworks with diverse Zn/Cd-triazolate ribbons as secondary building units for CO2 uptake and selective adsorption of hydrocarbons.","Dalton transactions (Cambridge, England : 2003)","2017","46","3","836","844","10.1039/c6dt04433f","","","0.71073","MoKα","","0.1637","0.0648","","","0.1446","0.1541","","","","","","1.09","","","","has coordinates","191627","2020-10-21","18:00:00",""
"7041400","10.404","0.0004","11.3367","0.0004","16.7032","0.0006","90","","90","","90","","1970.09","0.12","296","2","296","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","Hexamethylenetetramine Boranocarboxylic acid","'1-boranocaboxylic acid-3,5,7-Triaza-1-azoniatricyclo[3.3.1.1(3,7)]decane'","","- C7 H14 B N4 O2 -","- C7 H15 B N4 O2 -","- C56 H120 B8 N32 O16 -","8","1","","Ayudhya, T. I.; Raymond, C. C.; Dingra, N. N.","Hexamethylenetetramine carboxyborane: synthesis, structural characterization and CO releasing properties.","Dalton transactions (Cambridge, England : 2003)","2017","46","3","882","889","10.1039/c6dt03856e","","","1.54178","CuKα","","0.0404","0.0352","","","0.092","0.0966","","","","","","1.071","","","","has coordinates","191629","2020-10-21","18:00:00",""
"7041401","8.7685","0.0002","9.6898","0.0003","12.5738","0.0003","88.014","0.002","79.523","0.002","87.683","0.002","1049.26","0.05","150","2","150","2","","","","","","","","7","P -1","-P 1","2","","dichloro(O-dimethyl sulfoxide)(N(4)-ortho-chlorophenyl-2-acetylpyridinethiosemicarbazonato)Indium(III)","","- C16 H18 Cl3 In N4 O S2 -","- C16 H18 Cl3 In N4 O S2 -","- C32 H36 Cl6 In2 N8 O2 S4 -","2","1","","Oliveira, Alexandre A.; Perdigão, Gabriele M C; Rodrigues, Luana E.; da Silva, Jeferson G.; Souza-Fagundes, Elaine M; Takahashi, Jacqueline A.; Rocha, Willian R.; Beraldo, Heloisa","Cytotoxic and antimicrobial effects of indium(iii) complexes with 2-acetylpyridine-derived thiosemicarbazones.","Dalton transactions (Cambridge, England : 2003)","2017","46","3","918","932","10.1039/c6dt03657k","","","0.71073","MoKα","","0.0193","0.0174","","","0.0423","0.0432","","","","","","1.058","","","","has coordinates","191631","2020-10-21","18:00:00",""
"7041402","12.5903","0.0002","12.9279","0.0002","15.5193","0.0003","90","","103.09","0.002","90","","2460.38","0.08","150","2","150","2","","","","","","","","8","P 1 21/n 1","-P 2yn","14","Dichloro-(O-dimethyl sulfoxide)(N(4)-fluorophenyl-2-acetylpyridinethiosemicarbazonato)Indium(III) dimethyl sulfoxide and acetone solvate","","","- C18.78 H24 Cl2 F In N4 O2 S2.22 -","- C18.779 H24 Cl2 F In N4 O2 S2.221 -","- C75.116 H96 Cl8 F4 In4 N16 O8 S8.884 -","4","1","","Oliveira, Alexandre A.; Perdigão, Gabriele M C; Rodrigues, Luana E.; da Silva, Jeferson G.; Souza-Fagundes, Elaine M; Takahashi, Jacqueline A.; Rocha, Willian R.; Beraldo, Heloisa","Cytotoxic and antimicrobial effects of indium(iii) complexes with 2-acetylpyridine-derived thiosemicarbazones.","Dalton transactions (Cambridge, England : 2003)","2017","46","3","918","932","10.1039/c6dt03657k","","","0.71073","MoKα","","0.0223","0.0182","","","0.043","0.0454","","","","","","1.071","","","","has coordinates,has disorder","191631","2020-10-21","18:00:00",""
"7041403","8.8806","0.0002","11.5497","0.0002","13.0644","0.0003","110.3","0.002","90.297","0.002","105.723","0.002","1202.42","0.05","150","2","150","2","","","","","","","","7","P -1","-P 1","2","","Dichloro-(O-dimethyl sulfoxide)(N(4)-para-chorophenyl-2-acetylpyridinethiosemicarbazonato)Indium(III) acetonitrile solvate","","- C18 H21 Cl3 In N5 O S2 -","- C18 H21 Cl3 In N5 O S2 -","- C36 H42 Cl6 In2 N10 O2 S4 -","2","1","","Oliveira, Alexandre A.; Perdigão, Gabriele M C; Rodrigues, Luana E.; da Silva, Jeferson G.; Souza-Fagundes, Elaine M; Takahashi, Jacqueline A.; Rocha, Willian R.; Beraldo, Heloisa","Cytotoxic and antimicrobial effects of indium(iii) complexes with 2-acetylpyridine-derived thiosemicarbazones.","Dalton transactions (Cambridge, England : 2003)","2017","46","3","918","932","10.1039/c6dt03657k","","","0.71073","MoKα","","0.0193","0.0167","","","0.0394","0.0409","","","","","","1.061","","","","has coordinates","191631","2020-10-21","18:00:00",""
"7041404","12.6115","0.0005","13.033","0.0005","15.7258","0.0007","90","","100.906","0.004","90","","2538.1","0.18","150","2","150","2","","","","","","","","8","P 1 21/n 1","-P 2yn","14","","dichloro-(O-dimethyl sulfoxide)(N(4)-para-iodophenyl-2-acetylpyridinethiosemicarbazonato)Indium(III) dimethyl sulfoxide and acetone solvate","","- C18.59 H24 Cl2 I In N4 O2 S2.41 -","- C18.593 H24 Cl2 I In N4 O2 S2.407 -","- C74.372 H96 Cl8 I4 In4 N16 O8 S9.628 -","4","1","","Oliveira, Alexandre A.; Perdigão, Gabriele M C; Rodrigues, Luana E.; da Silva, Jeferson G.; Souza-Fagundes, Elaine M; Takahashi, Jacqueline A.; Rocha, Willian R.; Beraldo, Heloisa","Cytotoxic and antimicrobial effects of indium(iii) complexes with 2-acetylpyridine-derived thiosemicarbazones.","Dalton transactions (Cambridge, England : 2003)","2017","46","3","918","932","10.1039/c6dt03657k","","","0.71073","MoKα","","0.0606","0.0488","","","0.1077","0.1159","","","","","","1.084","","","","has coordinates,has disorder","191631","2020-10-21","18:00:00",""
"7041405","11.6755","0.0005","13.786","0.0005","24.0468","0.0009","90","","93.223","0.001","90","","3864.4","0.3","296","2","296","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C39 H18 F15 Ir N6 O2 -","- C39 H18 F15 Ir N6 O2 -","- C156 H72 F60 Ir4 N24 O8 -","4","1","","Jing, Yi-Ming; Zhao, Yue; Zheng, You-Xuan","Photoluminescence and electroluminescence of iridium(iii) complexes with 2',6'-bis(trifluoromethyl)-2,4'-bipyridine and 1,3,4-oxadiazole/1,3,4-thiadiazole derivative ligands.","Dalton transactions (Cambridge, England : 2003)","2017","46","3","845","853","10.1039/c6dt03919g","","","0.71073","MoKα","","0.0306","0.024","","","0.0579","0.0604","","","","","","1.093","","","","has coordinates","191633","2020-10-21","18:00:00",""
"7041406","8.621","0.005","15.529","0.008","16.001","0.007","62.121","0.012","76.294","0.019","88.84","0.02","1829.3","1.7","566","2","566","2","","","","","","","","6","P -1","-P 1","2","","","","- C18 H18 N7 O9 P3 Zn3 -","- C18 H18 N7 O9 P3 Zn3 -","- C36 H36 N14 O18 P6 Zn6 -","2","1","","Wang, Guo-Ming; Li, Jin-Hua; Pan, Jie; Xue, Zhen-Zhen; Wei, Li; Han, Song-De; Bao, Zhen-Zhen; Wang, Zong-Hua","Two hybrid transition metal triphosphonates decorated with a tripodal imidazole ligand: synthesis, structures and properties.","Dalton transactions (Cambridge, England : 2003)","2017","46","3","808","813","10.1039/c6dt04363a","","","0.71073","MoKα","","0.0605","0.046","","","0.1071","0.1132","","","","","","1.015","","","","has coordinates","191635","2020-10-21","18:00:00",""
"7041407","8.645","0.004","15.658","0.007","15.977","0.006","62.066","0.013","76.251","0.017","88.765","0.019","1845.8","1.4","566","2","566","2","","","","","","","","6","P -1","-P 1","2","","","","- C18 H18 Co3 N7 O9 P3 -","- C18 H18 Co3 N7 O9 P3 -","- C36 H36 Co6 N14 O18 P6 -","2","1","","Wang, Guo-Ming; Li, Jin-Hua; Pan, Jie; Xue, Zhen-Zhen; Wei, Li; Han, Song-De; Bao, Zhen-Zhen; Wang, Zong-Hua","Two hybrid transition metal triphosphonates decorated with a tripodal imidazole ligand: synthesis, structures and properties.","Dalton transactions (Cambridge, England : 2003)","2017","46","3","808","813","10.1039/c6dt04363a","","","0.71073","MoKα","","0.061","0.0447","","","0.1014","0.1105","","","","","","0.975","","","","has coordinates","191635","2020-10-21","18:00:00",""
"7041408","14.4173","0.0019","13.936","0.002","31.8","0.004","90","","91.552","0.003","90","","6386.9","1.5","299","2","299","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C60 H79 Cl2 Gd N8 Ni2 O21 -","- C60 H79 Cl2 Gd N8 Ni2 O21 -","- C240 H316 Cl8 Gd4 N32 Ni8 O84 -","4","1","","Wen, He-Rui; Dong, Piao-Ping; Liu, Sui-Jun; Liao, Jin-Sheng; Liang, Fu-Yong; Liu, Cai-Ming","3d-4f heterometallic trinuclear complexes derived from amine-phenol tripodal ligands exhibiting magnetic and luminescent properties.","Dalton transactions (Cambridge, England : 2003)","2017","46","4","1153","1162","10.1039/c6dt04027f","","","0.71073","MoKα","","0.1049","0.0692","","","0.1048","0.116","","","","","","1.13","","","","has coordinates","191605","2020-10-21","18:00:00",""
"7041409","14.3811","0.0019","14.4","0.002","31.756","0.004","90","","91.339","0.003","90","","6574.5","1.5","299","2","299","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C60 H79 Cl2 Dy N8 O21 Zn2 -","- C60 H79 Cl2 Dy N8 O21 Zn2 -","- C240 H316 Cl8 Dy4 N32 O84 Zn8 -","4","1","","Wen, He-Rui; Dong, Piao-Ping; Liu, Sui-Jun; Liao, Jin-Sheng; Liang, Fu-Yong; Liu, Cai-Ming","3d-4f heterometallic trinuclear complexes derived from amine-phenol tripodal ligands exhibiting magnetic and luminescent properties.","Dalton transactions (Cambridge, England : 2003)","2017","46","4","1153","1162","10.1039/c6dt04027f","","","0.71073","MoKα","","0.0597","0.048","","","0.101","0.1081","","","","","","1.185","","","","has coordinates","191605","2020-10-21","18:00:00",""
"7041410","14.2829","0.0019","14.229","0.002","31.389","0.004","90","","91.138","0.003","90","","6378","1.5","299","2","299","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C60 H79 Cl2 Gd N8 O21 Zn2 -","- C60 H79 Cl2 Gd N8 O21 Zn2 -","- C240 H316 Cl8 Gd4 N32 O84 Zn8 -","4","1","","Wen, He-Rui; Dong, Piao-Ping; Liu, Sui-Jun; Liao, Jin-Sheng; Liang, Fu-Yong; Liu, Cai-Ming","3d-4f heterometallic trinuclear complexes derived from amine-phenol tripodal ligands exhibiting magnetic and luminescent properties.","Dalton transactions (Cambridge, England : 2003)","2017","46","4","1153","1162","10.1039/c6dt04027f","","","0.71073","MoKα","","0.1158","0.0662","","","0.111","0.1255","","","","","","1.087","","","","has coordinates","191605","2020-10-21","18:00:00",""
"7041411","14.4173","0.0019","13.936","0.002","31.8","0.004","90","","91.552","0.003","90","","6386.9","1.5","299","2","299","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C60 H79 Cl2 Dy N8 Ni2 O21 -","- C60 H79 Cl2 Dy N8 Ni2 O21 -","- C240 H316 Cl8 Dy4 N32 Ni8 O84 -","4","1","","Wen, He-Rui; Dong, Piao-Ping; Liu, Sui-Jun; Liao, Jin-Sheng; Liang, Fu-Yong; Liu, Cai-Ming","3d-4f heterometallic trinuclear complexes derived from amine-phenol tripodal ligands exhibiting magnetic and luminescent properties.","Dalton transactions (Cambridge, England : 2003)","2017","46","4","1153","1162","10.1039/c6dt04027f","","","0.71073","MoKα","","0.0812","0.0516","","","0.1017","0.1132","","","","","","1.058","","","","has coordinates","191605","2020-10-21","18:00:00",""
"7041412","11.5448","0.0004","11.702","0.0005","12.1276","0.0005","114.8","0.004","98.962","0.003","104.386","0.003","1376.26","0.12","150","2","150.15","","","","","","","","","6","P -1","-P 1","2","","","","- C30 H28 Cu F5 N2 O2 -","- C30 H28 Cu F5 N2 O2 -","- C60 H56 Cu2 F10 N4 O4 -","2","1","","Shi, Shuyang; Collins, Lee R.; Mahon, Mary F.; Djurovich, Peter I.; Thompson, Mark E.; Whittlesey, Michael K.","Synthesis and characterization of phosphorescent two-coordinate copper(i) complexes bearing diamidocarbene ligands.","Dalton transactions (Cambridge, England : 2003)","2017","46","3","745","752","10.1039/c6dt04016k","","","1.54184","CuKα","","0.0683","0.0551","","","0.1379","0.1497","","","","","","1.019","","","","has coordinates","191642","2020-10-21","18:00:00",""
"7041413","17.489","0.0003","8.991","0.0002","24.507","0.0006","90","","106.838","0.001","90","","3688.36","0.14","150","2","150.15","","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C42 H43 Cu N2 O3 Si -","- C42 H43 Cu N2 O3 Si -","- C168 H172 Cu4 N8 O12 Si4 -","4","1","","Shi, Shuyang; Collins, Lee R.; Mahon, Mary F.; Djurovich, Peter I.; Thompson, Mark E.; Whittlesey, Michael K.","Synthesis and characterization of phosphorescent two-coordinate copper(i) complexes bearing diamidocarbene ligands.","Dalton transactions (Cambridge, England : 2003)","2017","46","3","745","752","10.1039/c6dt04016k","","","0.71073","MoKα","","0.0616","0.0419","","","0.0948","0.1038","","","","","","1.035","","","","has coordinates","191642","2020-10-21","18:00:00",""
"7041414","12.5474","0.0001","12.5474","0.0001","49.8245","0.0005","90","","90","","90","","7844.23","0.12","180","2","180","2","","","","","","","","5","P 41 21 2","P 4abw 2nw","92","","","","- C27 H63 Cl O10 Ti3 -","- C27 H63 Cl O10 Ti3 -","- C216 H504 Cl8 O80 Ti24 -","8","1","","Hanf, Schirin; Matthews, Peter D.; Li, Ning; Luo, He-Kuan; Wright, Dominic S.","The influence of halides in polyoxotitanate cages; dipole moment, splitting and expansion of d-orbitals and electron-electron repulsion.","Dalton transactions (Cambridge, England : 2003)","2017","46","2","578","585","10.1039/c6dt04288k","","","0.7107","MoKα","","0.097","0.0598","","","0.1507","0.1671","","","","","","1.05","","","","has coordinates,has disorder","191593","2020-10-21","18:00:00",""
"7041415","18.5061","0.0005","11.2747","0.0003","17.1975","0.0004","90","","98.944","0.002","90","","3544.64","0.16","143","2","143","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C40 H74 Co4 K8 N8 O53 -","- C40 H74 Co4 K8 N8 O53 -","- C80 H148 Co8 K16 N16 O106 -","2","0.5","","Yang, Yu-Chen; Wu, Rui; Cai, Yan; Zhou, Zhao-Hui","Unusual N-oxide formation in the peroxidation of cobalt(ii) ethylenediaminetetraacetates.","Dalton transactions (Cambridge, England : 2003)","2017","46","4","1290","1296","10.1039/c6dt04346a","","","0.71073","MoKα","","0.0643","0.0467","","","0.1247","0.1382","","","","","","0.88","","","","has coordinates","191611","2020-10-21","18:00:00",""
"7041416","10.5015","0.0005","11.602","0.0008","17.2669","0.001","98.549","0.005","91.646","0.004","111.107","0.005","1933.1","0.2","173","2","173","2","","","","","","","","6","P -1","-P 1","2","","","","- C20 H44 Co2 K4 N4 O30 -","- C20 H44 Co2 K4 N4 O30 -","- C40 H88 Co4 K8 N8 O60 -","2","1","","Yang, Yu-Chen; Wu, Rui; Cai, Yan; Zhou, Zhao-Hui","Unusual N-oxide formation in the peroxidation of cobalt(ii) ethylenediaminetetraacetates.","Dalton transactions (Cambridge, England : 2003)","2017","46","4","1290","1296","10.1039/c6dt04346a","","","0.71073","MoKα","","0.0839","0.0559","","","0.0821","0.0926","","","","","","1.01","","","","has coordinates","191611","2020-10-21","18:00:00",""
"7041417","8.9539","0.0003","10.1298","0.0004","18.8815","0.0009","90","","98.901","0.004","90","","1691.95","0.12","173","2","173","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C10 H20 Co N2 Na2 O12 -","- C10 H20 Co N2 Na2 O12 -","- C40 H80 Co4 N8 Na8 O48 -","4","1","","Yang, Yu-Chen; Wu, Rui; Cai, Yan; Zhou, Zhao-Hui","Unusual N-oxide formation in the peroxidation of cobalt(ii) ethylenediaminetetraacetates.","Dalton transactions (Cambridge, England : 2003)","2017","46","4","1290","1296","10.1039/c6dt04346a","","","0.71073","MoKα","","0.048","0.0402","","","0.1229","0.1297","","","","","","0.948","","","","has coordinates","191611","2020-10-21","18:00:00",""
"7041418","7.111","0.0009","8.3969","0.0007","8.7697","0.0009","90.175","0.007","94.401","0.009","108.143","0.009","495.94","0.09","173","2","173","2","","","","","","","","5","P -1","-P 1","2","","","","- C10 H28 Co2 N2 O18 -","- C10 H28 Co2 N2 O18 -","- C10 H28 Co2 N2 O18 -","1","0.5","","Yang, Yu-Chen; Wu, Rui; Cai, Yan; Zhou, Zhao-Hui","Unusual N-oxide formation in the peroxidation of cobalt(ii) ethylenediaminetetraacetates.","Dalton transactions (Cambridge, England : 2003)","2017","46","4","1290","1296","10.1039/c6dt04346a","","","0.71073","MoKα","","0.0329","0.0258","","","0.0587","0.06","","","","","","1.019","","","","has coordinates","191611","2020-10-21","18:00:00",""
"7041419","13.335","0.006","16.628","0.007","18.09","0.008","77.468","0.007","70.836","0.006","68.592","0.006","3506","3","296","2","296","2","","","","","","","","5","P -1","-P 1","2","","","","- C52 H89 Dy3 N6 O24 -","- C52 H89 Dy3 N6 O24 -","- C104 H178 Dy6 N12 O48 -","2","1","","Zhou, Guo-Jun; Ding, You-Song; Zheng, Yan-Zhen","Dy(iii)-Carboxylate chain containing quasi-D5h sites exhibits enhanced energy barrier for magnetization reversal.","Dalton transactions (Cambridge, England : 2003)","2017","46","10","3100","3104","10.1039/c6dt04366f","","","0.71073","MoKα","","0.0484","0.0383","","","0.0967","0.1037","","","","","","1.057","","","","has coordinates","195052","2020-10-21","18:00:00",""
"7041420","31.34","0.008","13.874","0.003","20.741","0.01","90","","129.133","0.002","90","","6995","4","296","2","296.15","","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C44 H75 Dy3 N6 O21 -","- C44 H75 Dy3 N6 O21 -","- C176 H300 Dy12 N24 O84 -","4","0.5","","Zhou, Guo-Jun; Ding, You-Song; Zheng, Yan-Zhen","Dy(iii)-Carboxylate chain containing quasi-D5h sites exhibits enhanced energy barrier for magnetization reversal.","Dalton transactions (Cambridge, England : 2003)","2017","46","10","3100","3104","10.1039/c6dt04366f","","","0.71073","MoKα","","0.07","0.0378","","","0.0874","0.0987","","","","","","1.011","","","","has coordinates","195052","2020-10-21","18:00:00",""
"7041421","14.4906","0.0003","12.2981","0.0002","10.3844","0.0001","90","","91.157","0.001","90","","1850.19","0.05","123","2","123","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C32 H44 B20 -","- C32 H44 B20 -","- C64 H88 B40 -","2","0.5","","Ferrer-Ugalde, A; Cabrera-González, J; Juárez-Pérez, E J; Teixidor, F.; Pérez-Inestrosa, E; Montenegro, J. M.; Sillanpää, R; Haukka, M.; Núñez, R","Carborane-stilbene dyads: the influence of substituents and cluster isomers on photoluminescence properties.","Dalton transactions (Cambridge, England : 2003)","2017","46","7","2091","2104","10.1039/c6dt04003a","","","1.54184","CuKα","","0.0703","0.0627","","","0.1735","0.1839","","","","","","1.064","","","","has coordinates","193820","2020-10-21","18:00:00",""
"7041422","8.0897","0.0002","21.1818","0.0005","22.1298","0.0004","90","","90","","90","","3792.04","0.15","123","2","123","2","","","","","","","synthesis as described","4","P b c a","-P 2ac 2ab","61","","","","- C15 H21 B10 I -","- C15 H21 B10 I -","- C120 H168 B80 I8 -","8","1","","Ferrer-Ugalde, A; Cabrera-González, J; Juárez-Pérez, E J; Teixidor, F.; Pérez-Inestrosa, E; Montenegro, J. M.; Sillanpää, R; Haukka, M.; Núñez, R","Carborane-stilbene dyads: the influence of substituents and cluster isomers on photoluminescence properties.","Dalton transactions (Cambridge, England : 2003)","2017","46","7","2091","2104","10.1039/c6dt04003a","","x-ray","0.71073","MoKα","","0.0294","0.0226","","","0.0491","0.0516","","","","","","1.046","","","","has coordinates","193820","2020-10-21","18:00:00",""
"7041423","7.753","0.0001","17.9867","0.0003","11.8559","0.0002","90","","98.493","0.002","90","","1635.19","0.04","123","2","123","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C10 H19 B10 I -","- C10 H19 B10 I -","- C40 H76 B40 I4 -","4","1","","Ferrer-Ugalde, A; Cabrera-González, J; Juárez-Pérez, E J; Teixidor, F.; Pérez-Inestrosa, E; Montenegro, J. M.; Sillanpää, R; Haukka, M.; Núñez, R","Carborane-stilbene dyads: the influence of substituents and cluster isomers on photoluminescence properties.","Dalton transactions (Cambridge, England : 2003)","2017","46","7","2091","2104","10.1039/c6dt04003a","","","1.54184","CuKα","","0.0292","0.0287","","","0.0769","0.0774","","","","","","1.044","","","","has coordinates","193820","2020-10-21","18:00:00",""
"7041424","11.9556","0.0003","7.5223","0.0002","45.0299","0.0009","90","","92.608","0.001","90","","4045.51","0.17","123","2","123","2","","","","","","","synthesis as described","3","P 1 21/n 1","-P 2yn","14","","","","- C18 H26 B10 -","- C18 H26 B10 -","- C144 H208 B80 -","8","2","","Ferrer-Ugalde, A; Cabrera-González, J; Juárez-Pérez, E J; Teixidor, F.; Pérez-Inestrosa, E; Montenegro, J. M.; Sillanpää, R; Haukka, M.; Núñez, R","Carborane-stilbene dyads: the influence of substituents and cluster isomers on photoluminescence properties.","Dalton transactions (Cambridge, England : 2003)","2017","46","7","2091","2104","10.1039/c6dt04003a","","x-ray","0.71073","MoKα","","0.0626","0.0541","","","0.1345","0.1407","","","","","","1.015","","","","has coordinates,has disorder","193820","2020-10-21","18:00:00",""
"7041425","12.0182","0.0002","12.7978","0.0001","10.9589","0.0001","90","","113.436","0.002","90","","1546.5","0.04","123","2","123","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C22 H40 B20 -","- C22 H40 B20 -","- C44 H80 B40 -","2","0.5","","Ferrer-Ugalde, A; Cabrera-González, J; Juárez-Pérez, E J; Teixidor, F.; Pérez-Inestrosa, E; Montenegro, J. M.; Sillanpää, R; Haukka, M.; Núñez, R","Carborane-stilbene dyads: the influence of substituents and cluster isomers on photoluminescence properties.","Dalton transactions (Cambridge, England : 2003)","2017","46","7","2091","2104","10.1039/c6dt04003a","","","1.54184","CuKα","","0.0446","0.043","","","0.1213","0.1235","","","","","","1.057","","","","has coordinates","193820","2020-10-21","18:00:00",""
"7041426","6.6255","0.0002","28.5036","0.001","8.0673","0.0003","90","","95.529","0.002","90","","1516.43","0.09","123","2","123","2","","","","","","","synthesis as described","3","P 1 21/n 1","-P 2yn","14","","","","- C22 H40 B20 -","- C22 H40 B20 -","- C44 H80 B40 -","2","0.5","","Ferrer-Ugalde, A; Cabrera-González, J; Juárez-Pérez, E J; Teixidor, F.; Pérez-Inestrosa, E; Montenegro, J. M.; Sillanpää, R; Haukka, M.; Núñez, R","Carborane-stilbene dyads: the influence of substituents and cluster isomers on photoluminescence properties.","Dalton transactions (Cambridge, England : 2003)","2017","46","7","2091","2104","10.1039/c6dt04003a","","x-ray","0.71073","MoKα","","0.0573","0.0487","","","0.1277","0.1344","","","","","","1.049","","","","has coordinates","193820","2020-10-21","18:00:00",""
"7041427","11.453","0.001","7.2953","0.0006","27.575","0.002","90","","97.317","0.008","90","","2285.2","0.3","120","2","120","2","","","","","","","","3","P 1 21 1","P 2yb","4","","","","- C23 H28 B10 -","- C23 H28 B10 -","- C92 H112 B40 -","4","2","","Ferrer-Ugalde, A; Cabrera-González, J; Juárez-Pérez, E J; Teixidor, F.; Pérez-Inestrosa, E; Montenegro, J. M.; Sillanpää, R; Haukka, M.; Núñez, R","Carborane-stilbene dyads: the influence of substituents and cluster isomers on photoluminescence properties.","Dalton transactions (Cambridge, England : 2003)","2017","46","7","2091","2104","10.1039/c6dt04003a","","","1.54178","CuKα","","0.1092","0.098","","","0.2676","0.2813","","","","","","1.05","","","","has coordinates","193820","2020-10-21","18:00:00",""
"7041428","18.2294","0.0013","7.5534","0.0005","9.8334","0.0006","90","","90","","90","","1354","0.16","296","2","296","2","","","","","","","","5","C m c 21","C 2c -2","36","Two-dimensional Magnesium Sulfate","","","- H14 Mg3 N2 O16 S3 -","- H14 Mg3 N2 O16 S3 -","- H56 Mg12 N8 O64 S12 -","4","0.5","","Marri, Subba R.; Mahana, Sudipta; Topwal, Dinesh; Behera, J. N.","Synthesis and characterization of layered metal sulfates containing M(μ3-OH/F)2(M = Mg, Co) diamond chains.","Dalton transactions (Cambridge, England : 2003)","2017","46","4","1105","1111","10.1039/c6dt04142f","","","0.71073","MoKα","","0.0344","0.029","","","0.0692","0.0728","","","","","","1.082","","","","has coordinates","191599","2020-10-21","18:00:00",""
"7041429","10.0475","0.0002","22.0781","0.0004","7.2634","0.0001","90","","90","","90","","1611.24","0.05","296","2","296","2","","","","","","","","7","P n m a","-P 2ac 2n","62","Two-dimensional Cobalt Sulfate","","","- C4 H16 Co3 F2 N2 O14 S3 -","- C4 H16 Co3 F2 N2 O14 S3 -","- C16 H64 Co12 F8 N8 O56 S12 -","4","0.5","","Marri, Subba R.; Mahana, Sudipta; Topwal, Dinesh; Behera, J. N.","Synthesis and characterization of layered metal sulfates containing M(μ3-OH/F)2(M = Mg, Co) diamond chains.","Dalton transactions (Cambridge, England : 2003)","2017","46","4","1105","1111","10.1039/c6dt04142f","","","0.71073","MoKα","","0.0223","0.02","","","0.0508","0.053","","","","","","1.064","","","","has coordinates","191599","2020-10-21","18:00:00",""
"7041430","17.335","0.004","14.154","0.004","20.474","0.004","90","","90","","90","","5023","2","123","2","123","2","","","","","","","","9","C m c 21","C 2c -2","36","","","","- C40 H45 Co F6 N11 O8 P Ru S0 -","- C40 H46 Co F6 N11 O8 P Ru -","- C160 H184 Co4 F24 N44 O32 P4 Ru4 -","4","0.5","","Zhu, Xiaoquan; Su, Shaodong; Cao, Wenhai; Hu, Shengmin; Wen, Yuehong; Wu, Xintao; Sheng, Tianlu","Effects of Ru(ii/iii) redox on the Co(ii) coordination number and magnetic properties of 1D cyanide-bridged Co-Ru compounds.","Dalton transactions (Cambridge, England : 2003)","2017","46","4","1038","1041","10.1039/c6dt04397f","","","0.71073","MoKα","","0.0777","0.0676","","","0.1916","0.2046","","","","","","1","","","","has coordinates,has disorder","191613","2020-10-21","18:00:00",""
"7041431","45.67","0.03","9.691","0.007","22.736","0.016","90","","93.931","0.016","90","","10039","12","123","2","123","2","","","","","","","","7","C 1 2/c 1","-C 2yc","15","","","","- C38 H46 Co N11 O8.25 Ru S0.25 -","- C38 H46 Co N11 O8.25 Ru S0.25 -","- C304 H368 Co8 N88 O66 Ru8 S2 -","8","1","","Zhu, Xiaoquan; Su, Shaodong; Cao, Wenhai; Hu, Shengmin; Wen, Yuehong; Wu, Xintao; Sheng, Tianlu","Effects of Ru(ii/iii) redox on the Co(ii) coordination number and magnetic properties of 1D cyanide-bridged Co-Ru compounds.","Dalton transactions (Cambridge, England : 2003)","2017","46","4","1038","1041","10.1039/c6dt04397f","","","0.71073","MoKα","","0.1648","0.1172","","","0.2165","0.2408","","","","","","0.994","","","","has coordinates,has disorder","191613","2020-10-21","18:00:00",""
"7041432","12.4201","0.0002","19.5445","0.0004","16.8392","0.0003","90","","102.459","0.0008","90","","3991.37","0.13","296","2","296","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C22 H46 Co2 Gd N O21 P6 -","- C22 H46 Co2 Gd N O21 P6 -","- C88 H184 Co8 Gd4 N4 O84 P24 -","4","1","","Lim, Kwang Soo; Kang, Dong Won; Song, Jeong Hwa; Lee, Han Geul; Yang, Mino; Hong, Chang Seop","Slow relaxation dynamics of a mononuclear Er(iii) complex surrounded by a ligand environment with anisotropic charge density.","Dalton transactions (Cambridge, England : 2003)","2017","46","3","739","744","10.1039/c6dt04326g","","","0.71073","MoKα","","0.0331","0.0242","","","0.0578","0.063","","","","","","1.035","","","","has coordinates","191647","2020-10-21","18:00:00",""
"7041433","11.091","0.006","21.203","0.012","9.34","0.005","90","","90","","90","","2196","2","296","2","296","2","","","","","","","","7","P 21 21 2","P 2 2ab","18","","","","- C22 H50 Co2 Er F6 O20 P7 -","- C22 H46 Co2 Er F6 O20 P7 -","- C44 H92 Co4 Er2 F12 O40 P14 -","2","0.5","","Lim, Kwang Soo; Kang, Dong Won; Song, Jeong Hwa; Lee, Han Geul; Yang, Mino; Hong, Chang Seop","Slow relaxation dynamics of a mononuclear Er(iii) complex surrounded by a ligand environment with anisotropic charge density.","Dalton transactions (Cambridge, England : 2003)","2017","46","3","739","744","10.1039/c6dt04326g","","","0.71073","MoKα","","0.0587","0.053","","","0.1379","0.1425","","","","","","1.058","","","","has coordinates","191647","2020-10-21","18:00:00",""
"7041434","11.1145","0.0002","21.3469","0.0003","9.3287","0.0001","90","","90","","90","","2213.33","0.06","296","2","296","2","","","","","","","","7","P 21 21 2","P 2 2ab","18","","","","- C22 H50 Co2 F6 Gd O20 P7 -","- C22 H46 Co2 F6 Gd O20 P7 -","- C44 H92 Co4 F12 Gd2 O40 P14 -","2","0.5","","Lim, Kwang Soo; Kang, Dong Won; Song, Jeong Hwa; Lee, Han Geul; Yang, Mino; Hong, Chang Seop","Slow relaxation dynamics of a mononuclear Er(iii) complex surrounded by a ligand environment with anisotropic charge density.","Dalton transactions (Cambridge, England : 2003)","2017","46","3","739","744","10.1039/c6dt04326g","","","0.71073","MoKα","","0.0355","0.0302","","","0.0715","0.0757","","","","","","1.045","","","","has coordinates","191647","2020-10-21","18:00:00",""
"7041435","12.273","0.0005","19.4424","0.0007","16.7578","0.0006","90","","102.974","0.002","90","","3896.6","0.3","296","2","296","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C22 H46 Co2 Er N O21 P6 -","- C22 H46 Co2 Er N O21 P6 -","- C88 H184 Co8 Er4 N4 O84 P24 -","4","1","","Lim, Kwang Soo; Kang, Dong Won; Song, Jeong Hwa; Lee, Han Geul; Yang, Mino; Hong, Chang Seop","Slow relaxation dynamics of a mononuclear Er(iii) complex surrounded by a ligand environment with anisotropic charge density.","Dalton transactions (Cambridge, England : 2003)","2017","46","3","739","744","10.1039/c6dt04326g","","","0.71073","MoKα","","0.1483","0.0607","","","0.1207","0.1558","","","","","","0.941","","","","has coordinates","191647","2020-10-21","18:00:00",""
"7041436","12.3602","0.0007","19.531","0.0011","16.8377","0.0009","90","","102.868","0.003","90","","3962.7","0.4","296","2","296","2","","","","","","","","8","P 1 21/c 1","-P 2ybc","14","","","","- C22 H46 Co2 Er0.06 N O21 P6 Y0.94 -","- C22 H46 Co2 Er0.06 N O21 P6 Y0.94 -","- C88 H184 Co8 Er0.24 N4 O84 P24 Y3.76 -","4","1","","Lim, Kwang Soo; Kang, Dong Won; Song, Jeong Hwa; Lee, Han Geul; Yang, Mino; Hong, Chang Seop","Slow relaxation dynamics of a mononuclear Er(iii) complex surrounded by a ligand environment with anisotropic charge density.","Dalton transactions (Cambridge, England : 2003)","2017","46","3","739","744","10.1039/c6dt04326g","","","0.71073","MoKα","","0.0651","0.0357","","","0.083","0.0972","","","","","","1.048","","","","has coordinates","191647","2020-10-21","18:00:00",""
"7041437","9.7628","0.0008","27.367","0.002","19.2292","0.0014","90","","101.133","0.003","90","","5040.9","0.7","153","2","153","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C96 H134 Al2 F12 N4 O19 S4 -","- C96 H134 Al2 F12 N4 O19 S4 -","- C192 H268 Al4 F24 N8 O38 S8 -","2","0.5","","Liu, Zhizhou; Ganguly, Rakesh; Vidović, Dragoslav","Pursuing the active species in an aluminium-based Lewis acid system for catalytic Diels-Alder cycloadditions.","Dalton transactions (Cambridge, England : 2003)","2017","46","3","753","759","10.1039/c6dt04213a","","","0.71073","MoKα","","0.1514","0.065","","","0.146","0.1876","","","","","","1.015","","","","has coordinates,has disorder","191649","2020-10-21","18:00:00",""
"7041438","9.5076","0.0011","25.913","0.003","12.6579","0.0012","90","","98.541","0.004","90","","3083.9","0.6","103","2","103","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C32 H39 Al Cl2 N2 -","- C32 H39 Al Cl2 N2 -","- C128 H156 Al4 Cl8 N8 -","4","1","","Liu, Zhizhou; Ganguly, Rakesh; Vidović, Dragoslav","Pursuing the active species in an aluminium-based Lewis acid system for catalytic Diels-Alder cycloadditions.","Dalton transactions (Cambridge, England : 2003)","2017","46","3","753","759","10.1039/c6dt04213a","","","0.71073","MoKα","","0.0681","0.0406","","","0.0818","0.0928","","","","","","1.014","","","","has coordinates","191649","2020-10-21","18:00:00",""
"7041439","16.9979","0.0007","27.9699","0.0011","20.6231","0.0009","90","","92.6642","0.0016","90","","9794.2","0.7","153","2","153","2","","","","","","","","7","C 1 2/c 1","-C 2yc","15","","","","- C90.8 H95.6 Al2 B Cl17.6 N4 Na -","- C90.8 H95.6 Al2 B Cl17.6 N4 Na -","- C363.2 H382.4 Al8 B4 Cl70.4 N16 Na4 -","4","0.5","","Liu, Zhizhou; Ganguly, Rakesh; Vidović, Dragoslav","Pursuing the active species in an aluminium-based Lewis acid system for catalytic Diels-Alder cycloadditions.","Dalton transactions (Cambridge, England : 2003)","2017","46","3","753","759","10.1039/c6dt04213a","","","0.71073","MoKα","","0.1093","0.0637","","","0.1443","0.1686","","","","","","1.02","","","","has coordinates,has disorder","191649","2020-10-21","18:00:00",""
"7041440","14.2999","0.0007","16.7422","0.0009","17.0542","0.0009","118.918","0.0018","104.677","0.0019","98.331","0.002","3280.3","0.3","103","2","103","2","","","","","","","","7","P -1","-P 1","2","","","","- C64.36 H68.91 Al B Cl11.82 N2 O -","- C64.3662 H68.9144 Al B Cl11.8224 N2 O -","- C128.732 H137.829 Al2 B2 Cl23.6448 N4 O2 -","2","1","","Liu, Zhizhou; Ganguly, Rakesh; Vidović, Dragoslav","Pursuing the active species in an aluminium-based Lewis acid system for catalytic Diels-Alder cycloadditions.","Dalton transactions (Cambridge, England : 2003)","2017","46","3","753","759","10.1039/c6dt04213a","","","0.71073","MoKα","","0.0813","0.051","","","0.1166","0.138","","","","","","1.046","","","","has coordinates,has disorder","191649","2020-10-21","18:00:00",""
"7041441","8.0617","0.0008","11.4269","0.0011","18.1147","0.0015","103.562","0.003","95.996","0.003","94.204","0.003","1605","0.3","200","2","200","2","","","","","","","","6","P -1","-P 1","2","tBuPOCOPNiWp_Noel","","","- C30 H44 Ni O5 P2 W -","- C30 H44 Ni O5 P2 W -","- C60 H88 Ni2 O10 P4 W2 -","2","1","","Mazzacano, Thomas J.; Leon, Noel J.; Waldhart, Greyson W.; Mankad, Neal P.","Fundamental organometallic chemistry under bimetallic influence: driving β-hydride elimination and diverting migratory insertion at Cu and Ni.","Dalton transactions (Cambridge, England : 2003)","2017","46","17","5518","5521","10.1039/c6dt04533b","","","0.71073","","","0.0529","0.038","","","0.0958","0.117","","","","","","0.796","","","","has coordinates","196410","2020-10-21","18:00:00",""
"7041442","10.506","0.002","11.816","0.002","15.379","0.003","94.56","0.03","91.61","0.03","106.46","0.03","1822.5","0.7","293","2","293","2","","","","","","","","7","P -1","-P 1","2","","","","- C41 H34 Cu I N2 O P2 -","- C41 H34 Cu I N2 O P2 -","- C82 H68 Cu2 I2 N4 O2 P4 -","2","1","","Huang, Chun-Hua; Wen, Meng; Wang, Chun-Ya; Lu, Yong-Feng; Huang, Xi-He; Li, Hao-Hong; Wu, Shu-Ting; Zhuang, Nai-Feng; Hu, Xiao-Lin","A series of pure-blue-light emitting Cu(i) complexes with thermally activated delayed fluorescence: structural, photophysical, and computational studies.","Dalton transactions (Cambridge, England : 2003)","2017","46","5","1413","1419","10.1039/c6dt03965k","","","0.71073","MoKα","","0.065","0.0547","","","0.152","0.1565","","","","","","1.092","","","","has coordinates","191656","2020-10-21","18:00:00",""
"7041443","10.703","0.002","13.275","0.003","15.304","0.003","82.69","0.03","71.74","0.03","68.34","0.03","1919","0.8","173","2","173","2","","","","","","","","6","P -1","-P 1","2","","","","- C43 H40 Cl Cu N2 P2 -","- C43 H40 Cl Cu N2 P2 -","- C86 H80 Cl2 Cu2 N4 P4 -","2","1","","Huang, Chun-Hua; Wen, Meng; Wang, Chun-Ya; Lu, Yong-Feng; Huang, Xi-He; Li, Hao-Hong; Wu, Shu-Ting; Zhuang, Nai-Feng; Hu, Xiao-Lin","A series of pure-blue-light emitting Cu(i) complexes with thermally activated delayed fluorescence: structural, photophysical, and computational studies.","Dalton transactions (Cambridge, England : 2003)","2017","46","5","1413","1419","10.1039/c6dt03965k","","","0.71073","MoKα","","0.0703","0.0479","","","0.1054","0.1233","","","","","","1.061","","","","has coordinates","191656","2020-10-21","18:00:00",""
"7041444","28.381","0.006","18.459","0.004","17.95","0.004","90","","119.86","0.03","90","","8155","4","293","2","293","2","","","","","","","","7","C 1 2/c 1","-C 2yc","15","","","","- C45 H43 Cu I N2 O1.5 P2 -","- C45 H43 Cu I N2 O1.5 P2 -","- C360 H344 Cu8 I8 N16 O12 P16 -","8","1","","Huang, Chun-Hua; Wen, Meng; Wang, Chun-Ya; Lu, Yong-Feng; Huang, Xi-He; Li, Hao-Hong; Wu, Shu-Ting; Zhuang, Nai-Feng; Hu, Xiao-Lin","A series of pure-blue-light emitting Cu(i) complexes with thermally activated delayed fluorescence: structural, photophysical, and computational studies.","Dalton transactions (Cambridge, England : 2003)","2017","46","5","1413","1419","10.1039/c6dt03965k","","","0.71073","MoKα","","0.0538","0.0389","","","0.0842","0.0938","","","","","","1.044","","","","has coordinates","191656","2020-10-21","18:00:00",""
"7041445","10.694","0.002","19.225","0.004","20.708","0.004","115.96","0.03","102.47","0.03","90.49","0.03","3711.7","1.7","293","2","293","2","","","","","","","","6","P -1","-P 1","2","","","","- C41 H36 Cu I N2 P2 -","- C41 H36 Cu I N2 P2 -","- C164 H144 Cu4 I4 N8 P8 -","4","2","","Huang, Chun-Hua; Wen, Meng; Wang, Chun-Ya; Lu, Yong-Feng; Huang, Xi-He; Li, Hao-Hong; Wu, Shu-Ting; Zhuang, Nai-Feng; Hu, Xiao-Lin","A series of pure-blue-light emitting Cu(i) complexes with thermally activated delayed fluorescence: structural, photophysical, and computational studies.","Dalton transactions (Cambridge, England : 2003)","2017","46","5","1413","1419","10.1039/c6dt03965k","","","0.71073","MoKα","","0.1517","0.0666","","","0.0975","0.1221","","","","","","1.025","","","","has coordinates","203412","2020-10-21","18:00:00",""
"7041446","17.6361","0.0008","16.5723","0.0007","15.9218","0.0008","90","","90","","90","","4653.5","0.4","103","2","103","2","","","","","","","","4","P c a 21","P 2c -2ac","29","","","","- C24 H35 Ga N2 -","- C24 H35 Ga N2 -","- C192 H280 Ga8 N16 -","8","2","","Wu, Melissa M.; Gill, Arran M.; Yunpeng, Lu; Yongxin, Li; Ganguly, Rakesh; Falivene, Laura; García, Felipe","Aryl-NHC-group 13 trimethyl complexes: structural, stability and bonding insights.","Dalton transactions (Cambridge, England : 2003)","2017","46","3","854","864","10.1039/c6dt04448d","","","0.71073","MoKα","","0.0744","0.044","","","0.1034","0.144","","","","","","1.107","","","","has coordinates","191630","2020-10-21","18:00:00",""
"7041447","10.393","0.0006","19.4217","0.0009","14.7592","0.0007","90","","98.1212","0.0017","90","","2949.3","0.3","103","2","103","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C30 H45 In N2 -","- C30 H45 In N2 -","- C120 H180 In4 N8 -","4","1","","Wu, Melissa M.; Gill, Arran M.; Yunpeng, Lu; Yongxin, Li; Ganguly, Rakesh; Falivene, Laura; García, Felipe","Aryl-NHC-group 13 trimethyl complexes: structural, stability and bonding insights.","Dalton transactions (Cambridge, England : 2003)","2017","46","3","854","864","10.1039/c6dt04448d","","","0.71073","MoKα","","0.0403","0.029","","","0.0636","0.0681","","","","","","1.025","","","","has coordinates,has disorder","191630","2020-10-21","18:00:00",""
"7041448","9.9188","0.0004","16.6053","0.0007","17.905","0.0008","83.4019","0.0014","75.2437","0.0014","89.8823","0.0014","2831.7","0.2","103","2","103","2","","","","","","","","4","P -1","-P 1","2","","","","- C30 H47 Ga N2 -","- C30 H47 Ga N2 -","- C120 H188 Ga4 N8 -","4","2","","Wu, Melissa M.; Gill, Arran M.; Yunpeng, Lu; Yongxin, Li; Ganguly, Rakesh; Falivene, Laura; García, Felipe","Aryl-NHC-group 13 trimethyl complexes: structural, stability and bonding insights.","Dalton transactions (Cambridge, England : 2003)","2017","46","3","854","864","10.1039/c6dt04448d","","","0.71073","MoKα","","0.0624","0.0378","","","0.1056","0.1395","","","","","","1.034","","","","has coordinates","191630","2020-10-21","18:00:00",""
"7041449","17.7812","0.0005","16.4794","0.0005","16.1136","0.0004","90","","90","","90","","4721.7","0.2","103","2","103","2","","","","","","","","4","P c a 21","P 2c -2ac","29","","","","- C24 H33 In N2 -","- C24 H33 In N2 -","- C192 H264 In8 N16 -","8","2","","Wu, Melissa M.; Gill, Arran M.; Yunpeng, Lu; Yongxin, Li; Ganguly, Rakesh; Falivene, Laura; García, Felipe","Aryl-NHC-group 13 trimethyl complexes: structural, stability and bonding insights.","Dalton transactions (Cambridge, England : 2003)","2017","46","3","854","864","10.1039/c6dt04448d","","","0.71073","MoKα","","0.0842","0.0466","","","0.1175","0.1681","","","","","","1.117","","","","has coordinates","191630","2020-10-21","18:00:00",""
"7041450","23.0884","0.0008","12.399","0.0004","8.2064","0.0003","90","","90","","90","","2349.27","0.14","296","2","296","2","","","","","","","","4","P n m a","-P 2ac 2n","62","","","","- C24 H33 Ga N2 -","- C24 H33 Ga N2 -","- C96 H132 Ga4 N8 -","4","0.5","","Wu, Melissa M.; Gill, Arran M.; Yunpeng, Lu; Yongxin, Li; Ganguly, Rakesh; Falivene, Laura; García, Felipe","Aryl-NHC-group 13 trimethyl complexes: structural, stability and bonding insights.","Dalton transactions (Cambridge, England : 2003)","2017","46","3","854","864","10.1039/c6dt04448d","","","0.71073","MoKα","","0.0645","0.0339","","","0.0774","0.0908","","","","","","1.005","","","","has coordinates","191630","2020-10-21","18:00:00",""
"7041451","34.7678","0.0011","9.9342","0.0002","16.838","0.0005","90","","97.1092","0.0012","90","","5771","0.3","133","2","133","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C30 H47 In N2 -","- C30 H47 In N2 -","- C240 H376 In8 N16 -","8","1","","Wu, Melissa M.; Gill, Arran M.; Yunpeng, Lu; Yongxin, Li; Ganguly, Rakesh; Falivene, Laura; García, Felipe","Aryl-NHC-group 13 trimethyl complexes: structural, stability and bonding insights.","Dalton transactions (Cambridge, England : 2003)","2017","46","3","854","864","10.1039/c6dt04448d","","","0.71073","MoKα","","0.0459","0.0318","","","0.0733","0.0848","","","","","","1.074","","","","has coordinates","191630","2020-10-21","18:00:00",""
"7041452","16.6315","0.0008","19.4897","0.001","19.2354","0.001","90","","111.432","0.0016","90","","5803.9","0.5","103","2","103","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C30 H45 Ga N2 -","- C30 H45 Ga N2 -","- C240 H360 Ga8 N16 -","8","2","","Wu, Melissa M.; Gill, Arran M.; Yunpeng, Lu; Yongxin, Li; Ganguly, Rakesh; Falivene, Laura; García, Felipe","Aryl-NHC-group 13 trimethyl complexes: structural, stability and bonding insights.","Dalton transactions (Cambridge, England : 2003)","2017","46","3","854","864","10.1039/c6dt04448d","","","0.71073","MoKα","","0.1061","0.053","","","0.1319","0.1875","","","","","","1.045","","","","has coordinates","191630","2020-10-21","18:00:00",""
"7041453","17.7466","0.0007","16.51","0.0006","16.1725","0.0005","90","","90","","90","","4738.5","0.3","103","2","103","2","","","","","","","","4","P c a 21","P 2c -2ac","29","","","","- C24 H35 In N2 -","- C24 H35 In N2 -","- C192 H280 In8 N16 -","8","2","","Wu, Melissa M.; Gill, Arran M.; Yunpeng, Lu; Yongxin, Li; Ganguly, Rakesh; Falivene, Laura; García, Felipe","Aryl-NHC-group 13 trimethyl complexes: structural, stability and bonding insights.","Dalton transactions (Cambridge, England : 2003)","2017","46","3","854","864","10.1039/c6dt04448d","","","0.71073","MoKα","","0.0474","0.0376","","","0.0884","0.1125","","","","","","1.094","","","","has coordinates","191630","2020-10-21","18:00:00",""
"7041454","12.555","0.005","14.05","0.005","14.078","0.005","97.483","0.005","91.176","0.005","113.701","0.005","2247.2","1.4","100","2","100","2","","","","","","","","5","P -1","-P 1","2","(Mes2(p-OMePh)Corrole)Ta(NtBu)","","","- C55 H54 N5 O Ta -","- C55 H54 N5 O Ta -","- C110 H108 N10 O2 Ta2 -","2","1","","Ziegler, Jessica A.; Buckley, Heather L.; Arnold, John","Synthesis and reactivity of tantalum corrole complexes.","Dalton transactions (Cambridge, England : 2003)","2017","46","3","780","785","10.1039/c6dt04265a","","","0.71073","MoKα","","0.0303","0.0261","","","0.0577","0.06","","","","","","1.093","","","","has coordinates,has disorder","191643","2020-10-21","18:00:00",""
"7041455","8.2059","0.0006","19.102","0.0014","27.1115","0.0019","90","","93.067","0.001","90","","4243.6","0.5","100","2","100","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","(Mes2(p-OMePh)Corrole)TaCl2","","","- C51 H45 Cl2 N4 O Ta -","- C51 H45 Cl2 N4 O Ta -","- C204 H180 Cl8 N16 O4 Ta4 -","4","1","","Ziegler, Jessica A.; Buckley, Heather L.; Arnold, John","Synthesis and reactivity of tantalum corrole complexes.","Dalton transactions (Cambridge, England : 2003)","2017","46","3","780","785","10.1039/c6dt04265a","","","0.71073","MoKα","","0.0303","0.0285","","","0.0694","0.0712","","","","","","1.118","","","","has coordinates","191643","2020-10-21","18:00:00",""
"7041456","12.6713","0.0016","19.773","0.002","23.209","0.003","90","","104.069","0.002","90","","5640.6","1.2","140","2","140","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C58 H74 B2 La2 N4 Si2 -","- C58 H74 B2 La2 N4 Si2 -","- C232 H296 B8 La8 N16 Si8 -","4","1","","Wang, Chunhong; Xiang, Li; Leng, Xuebing; Chen, Yaofeng","Rare-earth metal hydrides supported by silicon-bridged boratabenzene fluorenyl ligands: synthesis, structure and reactivity.","Dalton transactions (Cambridge, England : 2003)","2017","46","4","1218","1227","10.1039/c6dt04441g","","","0.71073","MoKα","","0.1233","0.0531","","","0.0944","0.1172","","","","","","0.992","","","","has coordinates","191600","2020-10-21","18:00:00",""
"7041457","17.2615","0.0014","17.704","0.0014","19.0871","0.0015","90","","114.271","0.001","90","","5317.4","0.7","140","2","140","2","","","","","","","","7","C 1 2/c 1","-C 2yc","15","","","","- C28 H37 B N Nd O Si -","- C28 H37 B N Nd O Si -","- C224 H296 B8 N8 Nd8 O8 Si8 -","8","1","","Wang, Chunhong; Xiang, Li; Leng, Xuebing; Chen, Yaofeng","Rare-earth metal hydrides supported by silicon-bridged boratabenzene fluorenyl ligands: synthesis, structure and reactivity.","Dalton transactions (Cambridge, England : 2003)","2017","46","4","1218","1227","10.1039/c6dt04441g","","","0.71073","MoKα","","0.0434","0.0322","","","0.0844","0.095","","","","","","1.085","","","","has coordinates","191600","2020-10-21","18:00:00",""
"7041458","16.4581","0.0018","20.025","0.002","18.863","0.003","90","","113.13","0.002","90","","5717","1.2","140","2","140","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C60 H81 B2 La2 N2 Si2 -","- C60 H78 B2 La2 N2 Si2 -","- C240 H312 B8 La8 N8 Si8 -","4","0.5","","Wang, Chunhong; Xiang, Li; Leng, Xuebing; Chen, Yaofeng","Rare-earth metal hydrides supported by silicon-bridged boratabenzene fluorenyl ligands: synthesis, structure and reactivity.","Dalton transactions (Cambridge, England : 2003)","2017","46","4","1218","1227","10.1039/c6dt04441g","","","0.71073","MoKα","","0.0588","0.0367","","","0.0902","0.1009","","","","","","1.02","","","","has coordinates","191600","2020-10-21","18:00:00",""
"7041459","17.2378","0.0019","17.577","0.002","19.014","0.002","90","","114.3","0.002","90","","5250.6","1","140","2","140.15","","","","","","","","","7","C 1 2/c 1","-C 2yc","15","","","","- C56 H74 B2 Gd2 N2 O2 Si2 -","- C56 H74 B2 Gd2 N2 O2 Si2 -","- C224 H296 B8 Gd8 N8 O8 Si8 -","4","0.5","","Wang, Chunhong; Xiang, Li; Leng, Xuebing; Chen, Yaofeng","Rare-earth metal hydrides supported by silicon-bridged boratabenzene fluorenyl ligands: synthesis, structure and reactivity.","Dalton transactions (Cambridge, England : 2003)","2017","46","4","1218","1227","10.1039/c6dt04441g","","","0.71073","MoKα","","0.0557","0.0345","","","0.0845","0.0952","","","","","","1.01","","","","has coordinates","191600","2020-10-21","18:00:00",""
"7041460","16.481","0.0015","20.0146","0.0018","18.5556","0.0017","90","","112.625","0.002","90","","5649.7","0.9","140","2","140","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C60 H81 B2 N2 Nd2 Si2 -","- C60 H78 B2 N2 Nd2 Si2 -","- C240 H312 B8 N8 Nd8 Si8 -","4","0.5","","Wang, Chunhong; Xiang, Li; Leng, Xuebing; Chen, Yaofeng","Rare-earth metal hydrides supported by silicon-bridged boratabenzene fluorenyl ligands: synthesis, structure and reactivity.","Dalton transactions (Cambridge, England : 2003)","2017","46","4","1218","1227","10.1039/c6dt04441g","","","0.71073","MoKα","","0.0573","0.0359","","","0.0936","0.1052","","","","","","1.007","","","","has coordinates","191600","2020-10-21","18:00:00",""
"7041461","10.7103","0.0019","11.678","0.002","14.604","0.003","73.746","0.003","85.409","0.003","89.834","0.003","1747.6","0.6","140","2","140.15","","","","","","","","","6","P -1","-P 1","2","","","","- C80 H86 B2 La2 N4 Si2 -","- C80 H86 B2 La2 N4 Si2 -","- C80 H86 B2 La2 N4 Si2 -","1","0.5","","Wang, Chunhong; Xiang, Li; Leng, Xuebing; Chen, Yaofeng","Rare-earth metal hydrides supported by silicon-bridged boratabenzene fluorenyl ligands: synthesis, structure and reactivity.","Dalton transactions (Cambridge, England : 2003)","2017","46","4","1218","1227","10.1039/c6dt04441g","","","0.71073","MoKα","","0.0548","0.0436","","","0.1146","0.1243","","","","","","1.08","","","","has coordinates,has disorder","191600","2020-10-21","18:00:00",""
"7041462","18.7173","0.0014","19.5181","0.0014","21.7889","0.0016","64.072","0.001","67.221","0.001","86.825","0.001","6537.9","0.8","140","2","140.15","","","","","","","","","6","P -1","-P 1","2","","","","- C126.5 H164 B4 La4 N8 Si4 -","- C126.5 H164 B4 La4 N8 Si4 -","- C253 H328 B8 La8 N16 Si8 -","2","1","","Wang, Chunhong; Xiang, Li; Leng, Xuebing; Chen, Yaofeng","Rare-earth metal hydrides supported by silicon-bridged boratabenzene fluorenyl ligands: synthesis, structure and reactivity.","Dalton transactions (Cambridge, England : 2003)","2017","46","4","1218","1227","10.1039/c6dt04441g","","","0.71073","MoKα","","0.0688","0.0473","","","0.1292","0.1417","","","","","","0.988","","","","has coordinates","191600","2020-10-21","18:00:00",""
"7041463","20.586","0.004","9.2519","0.0016","33.235","0.006","90","","103.612","0.003","90","","6152.1","1.9","140","2","140","","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C31 H43 B La N3 Si -","- C31 H43 B La N3 Si -","- C248 H344 B8 La8 N24 Si8 -","8","1","","Wang, Chunhong; Xiang, Li; Leng, Xuebing; Chen, Yaofeng","Rare-earth metal hydrides supported by silicon-bridged boratabenzene fluorenyl ligands: synthesis, structure and reactivity.","Dalton transactions (Cambridge, England : 2003)","2017","46","4","1218","1227","10.1039/c6dt04441g","","","0.71073","MoKα","","0.0762","0.069","","","0.1347","0.1375","","","","","","1.263","","","","has coordinates","191600","2020-10-21","18:00:00",""
"7041464","23.5043","0.0018","10.7865","0.0008","27.74","0.002","90","","90","","90","","7032.9","0.9","140","2","140.15","","","","","","","","","6","P n a 21","P 2c -2n","33","","","","- C64 H66 B2 N2 Nd2 Si2 -","- C64 H66 B2 N2 Nd2 Si2 -","- C256 H264 B8 N8 Nd8 Si8 -","4","1","","Wang, Chunhong; Xiang, Li; Leng, Xuebing; Chen, Yaofeng","Rare-earth metal hydrides supported by silicon-bridged boratabenzene fluorenyl ligands: synthesis, structure and reactivity.","Dalton transactions (Cambridge, England : 2003)","2017","46","4","1218","1227","10.1039/c6dt04441g","","","0.71073","MoKα","","0.0862","0.0636","","","0.1509","0.1589","","","","","","1.065","","","","has coordinates","191600","2020-10-21","18:00:00",""
"7041465","17.463","0.003","17.602","0.003","19.082","0.003","90","","113.818","0.003","90","","5365.9","1.6","140","2","140.15","","","","","","","","","7","C 1 2/c 1","-C 2yc","15","","","","- C28 H37 B La N O Si -","- C28 H37 B La N O Si -","- C224 H296 B8 La8 N8 O8 Si8 -","8","1","","Wang, Chunhong; Xiang, Li; Leng, Xuebing; Chen, Yaofeng","Rare-earth metal hydrides supported by silicon-bridged boratabenzene fluorenyl ligands: synthesis, structure and reactivity.","Dalton transactions (Cambridge, England : 2003)","2017","46","4","1218","1227","10.1039/c6dt04441g","","","0.71073","MoKα","","0.127","0.0566","","","0.0908","0.1106","","","","","","0.978","","","","has coordinates,has disorder","191600","2020-10-21","18:00:00",""
"7041466","16.144","0.007","25.31","0.011","13.403","0.01","90","","105.503","0.004","90","","5277","5","296","2","296","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C57 H58 N8 O8 Zn -","- C57 H58 N8 O8 Zn -","- C228 H232 N32 O32 Zn4 -","4","0.5","","Wang, Fangming; Zhou, Zeyu; Liu, Wei; Zhou, Lei; Chen, Lizhuang; Li, Jing","Two blue-light excitable yellow-emitting LMOF phosphors constructed by triangular tri(4-pyridylphenyl)amine.","Dalton transactions (Cambridge, England : 2003)","2017","46","3","956","961","10.1039/c6dt03883b","","","0.71073","MoKα","","0.064","0.0505","","","0.1369","0.1474","","","","","","1.045","","","","has coordinates","191632","2020-10-21","18:00:00",""
"7041467","10.4601","0.001","21.902","0.002","11.8257","0.0012","90","","105.644","0.001","90","","2608.9","0.4","293","2","293","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C33 H26 N4 O -","- C33 H26 N4 O -","- C132 H104 N16 O4 -","4","1","","Wang, Fangming; Zhou, Zeyu; Liu, Wei; Zhou, Lei; Chen, Lizhuang; Li, Jing","Two blue-light excitable yellow-emitting LMOF phosphors constructed by triangular tri(4-pyridylphenyl)amine.","Dalton transactions (Cambridge, England : 2003)","2017","46","3","956","961","10.1039/c6dt03883b","","","0.71073","MoKα","","0.0973","0.0494","","","0.1172","0.1325","","","","","","0.99","","","","has coordinates","191632","2020-10-21","18:00:00",""
"7041468","17.525","0.007","17.373","0.007","23.693","0.01","90","","109.088","0.004","90","","6817","5","296","2","296","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C73 H73 N11 O13 Zn2 -","- C60 H46 N6 O10 Zn2 -","- C240 H184 N24 O40 Zn8 -","4","1","","Wang, Fangming; Zhou, Zeyu; Liu, Wei; Zhou, Lei; Chen, Lizhuang; Li, Jing","Two blue-light excitable yellow-emitting LMOF phosphors constructed by triangular tri(4-pyridylphenyl)amine.","Dalton transactions (Cambridge, England : 2003)","2017","46","3","956","961","10.1039/c6dt03883b","","","0.71073","MoKα","","0.136","0.0905","","","0.2077","0.2328","","","","","","1.07","","","","has coordinates","191632","2020-10-21","18:00:00",""
"7041469","16.144","0.007","25.31","0.011","13.403","0.01","90","","105.503","0.004","90","","5277","5","296","2","296","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C57 H58 N8 O8 Zn -","- C57 H58 N8 O8 Zn -","- C228 H232 N32 O32 Zn4 -","4","0.5","","Liang, Zhijie; Wang, Ke; Zhang, Dongdi; Ma, Pengtao; Niu, Jingyang; Wang, Jingping","{Fe3Nb25} cluster based on an Fe-centred Keggin unit.","Dalton transactions (Cambridge, England : 2003)","2017","46","5","1368","1371","10.1039/c6dt04223f","","","0.71073","MoKα","","0.064","0.0505","","","0.1369","0.1474","","","","","","1.045","","","","has coordinates","191661","2020-10-21","18:00:00",""
"7041470","10.4601","0.001","21.902","0.002","11.8257","0.0012","90","","105.644","0.001","90","","2608.9","0.4","293","2","293","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C33 H26 N4 O -","- C33 H26 N4 O -","- C132 H104 N16 O4 -","4","1","","Liang, Zhijie; Wang, Ke; Zhang, Dongdi; Ma, Pengtao; Niu, Jingyang; Wang, Jingping","{Fe3Nb25} cluster based on an Fe-centred Keggin unit.","Dalton transactions (Cambridge, England : 2003)","2017","46","5","1368","1371","10.1039/c6dt04223f","","","0.71073","MoKα","","0.0973","0.0494","","","0.1172","0.1325","","","","","","0.99","","","","has coordinates","191661","2020-10-21","18:00:00",""
"7041471","17.525","0.007","17.373","0.007","23.693","0.01","90","","109.088","0.004","90","","6817","5","296","2","296","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C73 H73 N11 O13 Zn2 -","- C60 H46 N6 O10 Zn2 -","- C240 H184 N24 O40 Zn8 -","4","1","","Liang, Zhijie; Wang, Ke; Zhang, Dongdi; Ma, Pengtao; Niu, Jingyang; Wang, Jingping","{Fe3Nb25} cluster based on an Fe-centred Keggin unit.","Dalton transactions (Cambridge, England : 2003)","2017","46","5","1368","1371","10.1039/c6dt04223f","","","0.71073","MoKα","","0.136","0.0905","","","0.2077","0.2328","","","","","","1.07","","","","has coordinates","191661","2020-10-21","18:00:00",""
"7041472","12.7815","0.0004","17.1132","0.0005","17.4795","0.0006","90","","103.751","0.003","90","","3713.7","0.2","100","0.1","100","0.1","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C34 H40 Cl6 Si3 -","- C34 H40 Cl6 Si3 -","- C136 H160 Cl24 Si12 -","4","1","","Tomaschautzky, Janek; Neumann, Beate; Stammler, Hans-Georg; Mitzel, Norbert W.","Poly-Lewis-acids based on bowl-shaped tribenzotriquinacene.","Dalton transactions (Cambridge, England : 2003)","2017","46","4","1112","1123","10.1039/c6dt04350j","","x-ray","1.54184","CuKα","","0.0881","0.0676","","","0.186","0.2055","","","","","","1.044","","","","has coordinates,has disorder","191615","2020-10-21","18:00:00",""
"7041473","8.75501","0.00019","12.8417","0.0002","16.3598","0.0003","99.9308","0.0015","94.5032","0.0015","97.3754","0.0016","1787.21","0.06","100","0.1","100","0.1","","","","","","","","2","P -1","-P 1","2","","","","- C25 H22 -","- C25 H22 -","- C100 H88 -","4","2","","Tomaschautzky, Janek; Neumann, Beate; Stammler, Hans-Georg; Mitzel, Norbert W.","Poly-Lewis-acids based on bowl-shaped tribenzotriquinacene.","Dalton transactions (Cambridge, England : 2003)","2017","46","4","1112","1123","10.1039/c6dt04350j","","x-ray","1.54184","CuKα","","0.0412","0.0358","","","0.0873","0.092","","","","","","1.022","","","","has coordinates","191615","2020-10-21","18:00:00",""
"7041474","27.0972","0.0002","27.0972","0.0002","27.0972","0.0002","90","","90","","90","","19896.3","0.3","100.01","0.1","100.01","0.1","","","","","","","","3","I a -3","-I 2b 2c 3","206","","","","- C55 H52 Si3 -","- C55 H52 Si3 -","- C880 H832 Si48 -","16","0.333333","","Tomaschautzky, Janek; Neumann, Beate; Stammler, Hans-Georg; Mitzel, Norbert W.","Poly-Lewis-acids based on bowl-shaped tribenzotriquinacene.","Dalton transactions (Cambridge, England : 2003)","2017","46","4","1112","1123","10.1039/c6dt04350j","","x-ray","1.54184","CuKα","","0.1012","0.0866","","","0.2836","0.2981","","","","","","1.083","","","","has coordinates,has disorder","191615","2020-10-21","18:00:00",""
"7041475","10.1259","0.0003","10.1259","0.0003","15.3317","0.0009","90","","90","","120","","1361.41","0.1","100","0.1","100","0.1","","","","","","","","4","P -3","-P 3","147","","","","- C28 H31 Cl3 Si3 -","- C28 H31 Cl3 Si3 -","- C56 H62 Cl6 Si6 -","2","0.333333","","Tomaschautzky, Janek; Neumann, Beate; Stammler, Hans-Georg; Mitzel, Norbert W.","Poly-Lewis-acids based on bowl-shaped tribenzotriquinacene.","Dalton transactions (Cambridge, England : 2003)","2017","46","4","1112","1123","10.1039/c6dt04350j","","x-ray","0.71073","MoKα","","0.0326","0.0301","","","0.0828","0.0838","","","","","","1.234","","","","has coordinates,has disorder","191615","2020-10-21","18:00:00",""
"7041476","15.4391","0.0002","18.7068","0.0003","26.9918","0.0005","90","","102.994","0.0016","90","","7596.1","0.2","100","0.1","100","0.1","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C41.5 H26.5 Cl4.5 I3 -","- C40 H25 I3 -","- C320 H200 I24 -","8","2","","Tomaschautzky, Janek; Neumann, Beate; Stammler, Hans-Georg; Mitzel, Norbert W.","Poly-Lewis-acids based on bowl-shaped tribenzotriquinacene.","Dalton transactions (Cambridge, England : 2003)","2017","46","4","1112","1123","10.1039/c6dt04350j","","x-ray","1.54184","CuKα","","0.0587","0.0509","","","0.1417","0.1466","","","","","","1.103","","","","has coordinates,has disorder","191615","2020-10-21","18:00:00",""
"7041477","10.27399","0.00019","26.8362","0.0006","14.2421","0.0003","90","","105.165","0.002","90","","3790.01","0.14","100.01","0.1","100.01","0.1","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C34 H40 Cl3 F6 Sb Si3 -","- C34 H40 Cl3 F6 Sb Si3 -","- C136 H160 Cl12 F24 Sb4 Si12 -","4","1","","Tomaschautzky, Janek; Neumann, Beate; Stammler, Hans-Georg; Mitzel, Norbert W.","Poly-Lewis-acids based on bowl-shaped tribenzotriquinacene.","Dalton transactions (Cambridge, England : 2003)","2017","46","4","1112","1123","10.1039/c6dt04350j","","x-ray","0.71073","MoKα","","0.0431","0.0347","","","0.0874","0.0931","","","","","","1.018","","","","has coordinates,has disorder","191615","2020-10-21","18:00:00",""
"7041478","23.7889","0.001","10.4654","0.0004","27.3953","0.0016","90","","107.901","0.005","90","","6490.2","0.6","100.01","0.1","100.01","0.1","","","","","","","","2","P 1 21/n 1","-P 2yn","14","","","","- C46 H28 -","- C46 H28 -","- C368 H224 -","8","2","","Tomaschautzky, Janek; Neumann, Beate; Stammler, Hans-Georg; Mitzel, Norbert W.","Poly-Lewis-acids based on bowl-shaped tribenzotriquinacene.","Dalton transactions (Cambridge, England : 2003)","2017","46","4","1112","1123","10.1039/c6dt04350j","","x-ray","1.54184","CuKα","","0.1025","0.0711","","","0.1974","0.2171","","","","","","1.057","","","","has coordinates","191615","2020-10-21","18:00:00",""
"7041479","9.3175","0.0003","10.0431","0.0004","15.1272","0.0006","78.521","0.004","84.931","0.003","66.031","0.004","1267.56","0.09","100","0.1","100","0.1","","","","","","","","3","P -1","-P 1","2","","","","- C28 H34 Si3 -","- C28 H34 Si3 -","- C56 H68 Si6 -","2","1","","Tomaschautzky, Janek; Neumann, Beate; Stammler, Hans-Georg; Mitzel, Norbert W.","Poly-Lewis-acids based on bowl-shaped tribenzotriquinacene.","Dalton transactions (Cambridge, England : 2003)","2017","46","4","1112","1123","10.1039/c6dt04350j","","x-ray","1.54184","CuKα","","0.0564","0.0497","","","0.1303","0.136","","","","","","1.069","","","","has coordinates","191615","2020-10-21","18:00:00",""
"7041480","10.20063","0.00012","10.20063","0.00012","46.3518","0.0006","90","","90","","120","","4176.87","0.09","100.01","0.1","100.01","0.1","","","","","","","","3","R -3","-R 3","148","","","","- C31 H40 Si3 -","- C31 H40 Si3 -","- C186 H240 Si18 -","6","","","Tomaschautzky, Janek; Neumann, Beate; Stammler, Hans-Georg; Mitzel, Norbert W.","Poly-Lewis-acids based on bowl-shaped tribenzotriquinacene.","Dalton transactions (Cambridge, England : 2003)","2017","46","4","1112","1123","10.1039/c6dt04350j","","x-ray","1.54184","CuKα","","0.0386","0.0378","","","0.1042","0.105","","","","","","1.075","","","","has coordinates","191615","2020-10-21","18:00:00",""
"7041481","28.66207","0.00014","9.64548","0.00004","19.3737","0.0001","90","","105.717","0.0005","90","","5155.78","0.04","100","0.1","100","0.1","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C28 H31 F3 Si3 -","- C28 H31 F3 Si3 -","- C224 H248 F24 Si24 -","8","2","","Tomaschautzky, Janek; Neumann, Beate; Stammler, Hans-Georg; Mitzel, Norbert W.","Poly-Lewis-acids based on bowl-shaped tribenzotriquinacene.","Dalton transactions (Cambridge, England : 2003)","2017","46","4","1112","1123","10.1039/c6dt04350j","","x-ray","1.54184","CuKα","","0.0482","0.0465","","","0.1224","0.1239","","","","","","1.017","","","","has coordinates,has disorder","191615","2020-10-21","18:00:00",""
"7041482","14.3167","0.0004","14.3167","0.0004","10.44916","0.00016","90","","90","","120","","1854.8","0.08","220","0.1","220","0.1","","","","","","","","6","P -3","-P 3","147","","","","- C31 H31 Cl3 F9 Sb Si3 -","- C31 H31 Cl2.9997 F9 Sb0.9999 Si3 -","- C62 H62 Cl5.9994 F18 Sb1.9998 Si6 -","2","0.333333","","Tomaschautzky, Janek; Neumann, Beate; Stammler, Hans-Georg; Mitzel, Norbert W.","Poly-Lewis-acids based on bowl-shaped tribenzotriquinacene.","Dalton transactions (Cambridge, England : 2003)","2017","46","4","1112","1123","10.1039/c6dt04350j","","x-ray","1.54184","CuKα","","0.0746","0.0683","","","0.2252","0.247","","","","","","1.037","","","","has coordinates,has disorder","191615","2020-10-21","18:00:00",""
"7041483","13.4708","0.0004","9.3343","0.0002","18.9329","0.0005","90","","92.806","0.003","90","","2377.78","0.11","100","0.11","100","0.11","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","","","- C25 H16 Br6 -","- C25 H16 Br6 -","- C100 H64 Br24 -","4","1","","Tomaschautzky, Janek; Neumann, Beate; Stammler, Hans-Georg; Mitzel, Norbert W.","Poly-Lewis-acids based on bowl-shaped tribenzotriquinacene.","Dalton transactions (Cambridge, England : 2003)","2017","46","4","1112","1123","10.1039/c6dt04350j","","x-ray","0.71073","MoKα","","0.0415","0.0276","","","0.0525","0.0561","","","","","","1.041","","","","has coordinates","191615","2020-10-21","18:00:00",""
"7041484","37.8082","0.0008","37.8082","0.0008","14.6373","0.0005","90","","90","","120","","18120.2","0.8","200","2","200","2","","","","","","","","4","R -3 :H","-R 3","148","","","","- C42 H50 Fe2 N4 -","- C42 H50 Fe2 N4 -","- C756 H900 Fe36 N72 -","18","1","","Behlen, Michael J.; Zhou, You-Yun; Steiman, Talia J.; Pal, Sudipta; Hartline, Douglas R.; Zeller, Matthias; Uyeda, Christopher","Dinuclear oxidative addition reactions using an isostructural series of Ni2, Co2, and Fe2 complexes.","Dalton transactions (Cambridge, England : 2003)","2017","46","17","5493","5497","10.1039/c6dt04465d","","","0.71073","MoKα","","0.0812","0.0476","","","0.0967","0.1105","","","","","","1.003","","","","has coordinates,has disorder","196404","2020-10-21","18:00:00",""
"7041485","9.3766","0.0005","9.8778","0.0008","23.678","0.002","94.489","0.005","98.981","0.005","107.591","0.005","2046.5","0.3","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","","","- C45 H55 Cl Fe2 N4 -","- C45 H55 Cl Fe2 N4 -","- C90 H110 Cl2 Fe4 N8 -","2","1","","Behlen, Michael J.; Zhou, You-Yun; Steiman, Talia J.; Pal, Sudipta; Hartline, Douglas R.; Zeller, Matthias; Uyeda, Christopher","Dinuclear oxidative addition reactions using an isostructural series of Ni2, Co2, and Fe2 complexes.","Dalton transactions (Cambridge, England : 2003)","2017","46","17","5493","5497","10.1039/c6dt04465d","","","1.54178","CuKα","","0.0578","0.0457","","","0.1068","0.1155","","","","","","1.041","","","","has coordinates","196404","2020-10-21","18:00:00",""
"7041486","15.065","0.0006","16.6481","0.0006","29.4529","0.001","90","","90","","90","","7386.9","0.5","150","2","150","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C39 H49 Cl N4 Ni2 -","- C39 H49 Cl N4 Ni2 -","- C312 H392 Cl8 N32 Ni16 -","8","1","","Behlen, Michael J.; Zhou, You-Yun; Steiman, Talia J.; Pal, Sudipta; Hartline, Douglas R.; Zeller, Matthias; Uyeda, Christopher","Dinuclear oxidative addition reactions using an isostructural series of Ni2, Co2, and Fe2 complexes.","Dalton transactions (Cambridge, England : 2003)","2017","46","17","5493","5497","10.1039/c6dt04465d","","","1.54178","CuKα","","0.1088","0.0575","","","0.1208","0.1509","","","","","","1.065","","","","has coordinates","196404","2020-10-21","18:00:00",""
"7041487","8.791","0.0004","45.9431","0.0019","9.9343","0.0004","90","","115.797","0.003","90","","3612.5","0.3","100","2","100","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C39 H49 Cl Co2 N4 -","- C39 H49 Cl Co2 N4 -","- C156 H196 Cl4 Co8 N16 -","4","1","","Behlen, Michael J.; Zhou, You-Yun; Steiman, Talia J.; Pal, Sudipta; Hartline, Douglas R.; Zeller, Matthias; Uyeda, Christopher","Dinuclear oxidative addition reactions using an isostructural series of Ni2, Co2, and Fe2 complexes.","Dalton transactions (Cambridge, England : 2003)","2017","46","17","5493","5497","10.1039/c6dt04465d","","","1.54178","CuKα","","0.0976","0.0661","","","0.1353","0.1534","","","","","","1.061","","","","has coordinates","196404","2020-10-21","18:00:00",""
"7041488","15.3397","0.0004","16.7127","0.0008","17.281","0.0006","90","","112.992","0.002","90","","4078.3","0.3","100","2","100","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C40 H52 Cl3 Co2 N4 O -","- C40 H52 Cl3 Co2 N4 O -","- C160 H208 Cl12 Co8 N16 O4 -","4","1","","Behlen, Michael J.; Zhou, You-Yun; Steiman, Talia J.; Pal, Sudipta; Hartline, Douglas R.; Zeller, Matthias; Uyeda, Christopher","Dinuclear oxidative addition reactions using an isostructural series of Ni2, Co2, and Fe2 complexes.","Dalton transactions (Cambridge, England : 2003)","2017","46","17","5493","5497","10.1039/c6dt04465d","","","1.54178","CuKα","","0.0845","0.0683","","","0.1468","0.1581","","","","","","1.034","","","","has coordinates","196404","2020-10-21","18:00:00",""
"7041489","17.933","0.002","12.679","0.002","18.838","0.002","90","","109.745","0.003","90","","4031.4","0.9","100","2","100","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C40 H52 Cl3 Fe2 N4 O -","- C40 H52 Cl3 Fe2 N4 O -","- C160 H208 Cl12 Fe8 N16 O4 -","4","1","","Behlen, Michael J.; Zhou, You-Yun; Steiman, Talia J.; Pal, Sudipta; Hartline, Douglas R.; Zeller, Matthias; Uyeda, Christopher","Dinuclear oxidative addition reactions using an isostructural series of Ni2, Co2, and Fe2 complexes.","Dalton transactions (Cambridge, England : 2003)","2017","46","17","5493","5497","10.1039/c6dt04465d","","","1.54178","CuKα","","0.0793","0.0645","","","0.1717","0.1904","","","","","","1.094","","","","has coordinates","196404","2020-10-21","18:00:00",""
"7041490","37.5514","0.0011","37.5514","0.0011","14.5525","0.0004","90","","90","","120","","17771.4","0.9","100","2","100","2","","","","","","","","4","R -3 :H","-R 3","148","","","","- C42 H50 Co2 N4 -","- C42 H50 Co2 N4 -","- C756 H900 Co36 N72 -","18","1","","Behlen, Michael J.; Zhou, You-Yun; Steiman, Talia J.; Pal, Sudipta; Hartline, Douglas R.; Zeller, Matthias; Uyeda, Christopher","Dinuclear oxidative addition reactions using an isostructural series of Ni2, Co2, and Fe2 complexes.","Dalton transactions (Cambridge, England : 2003)","2017","46","17","5493","5497","10.1039/c6dt04465d","","","0.71073","MoKα","","0.0695","0.0449","","","0.0984","0.1127","","","","","","1.036","","","","has coordinates","196404","2020-10-21","18:00:00",""
"7041491","3.7892","0.0003","12.4109","0.001","15.4894","0.0013","90","","90","","90","","728.43","0.1","296","2","296","2","","","","","","","","4","C m c m","-C 2c 2","63","","","","- Gd0.25 In0.25 Mn0.5 S1.25 -","- Gd0.25 In0.26225 Mn0.48775 S1.25 -","- Gd4 In4.196 Mn7.804 S20 -","16","1","","Liang, I. C.; Weng, C. Y.; Huang, C.; Chang, C. K.; Sheu, H. S.; Lin, J. G.; Hsu, K. F.","New metal chalcogenides found in MnN-1(Gd2-xInx)SN+2 (N = 3, 4, 5): syntheses, structures, and magnetic properties.","Dalton transactions (Cambridge, England : 2003)","2017","46","4","1228","1236","10.1039/c6dt04382h","","","0.71073","MoKα","","0.0196","0.0166","","","0.0342","0.0351","","","","","","1.135","","","","has coordinates","191622","2020-10-21","18:00:00",""
"7041492","3.7898","0.0005","12.4623","0.0017","15.612","0.002","90","","90","","90","","737.35","0.17","296","2","296","2","","","","","","","","4","C m c m","-C 2c 2","63","","","","- Gd0.375 In0.125 Mn0.5 S1.25 -","- Gd0.3675 In0.1215 Mn0.511 S1.25 -","- Gd5.88 In1.944 Mn8.176 S20 -","16","1","","Liang, I. C.; Weng, C. Y.; Huang, C.; Chang, C. K.; Sheu, H. S.; Lin, J. G.; Hsu, K. F.","New metal chalcogenides found in MnN-1(Gd2-xInx)SN+2 (N = 3, 4, 5): syntheses, structures, and magnetic properties.","Dalton transactions (Cambridge, England : 2003)","2017","46","4","1228","1236","10.1039/c6dt04382h","","","0.71073","MoKα","","0.0223","0.0206","","","0.0488","0.0494","","","","","","1.051","","","","has coordinates","191622","2020-10-21","18:00:00",""
"7041493","3.7778","0.0005","12.5047","0.0016","19.114","0.002","90","","90","","90","","902.95","0.19","296","2","296","2","","","","","","","","3","C m c m","-C 2c 2","63","","","","- Gd0.5 Mn0.75 S1.5 -","- Gd0.49815 Mn0.75185 S1.5 -","- Gd7.9704 Mn12.0296 S24 -","16","1","","Liang, I. C.; Weng, C. Y.; Huang, C.; Chang, C. K.; Sheu, H. S.; Lin, J. G.; Hsu, K. F.","New metal chalcogenides found in MnN-1(Gd2-xInx)SN+2 (N = 3, 4, 5): syntheses, structures, and magnetic properties.","Dalton transactions (Cambridge, England : 2003)","2017","46","4","1228","1236","10.1039/c6dt04382h","","","0.71073","MoKα","","0.0174","0.0148","","","0.0313","0.0323","","","","","","1.09","","","","has coordinates","191622","2020-10-21","18:00:00",""
"7041494","3.7694","0.0006","12.4664","0.0018","22.288","0.003","90","","90","","90","","1047.3","0.3","296","2","296","2","","","","","","","","3","C m c m","-C 2c 2","63","","","","- Gd0.5 Mn S1.75 -","- Gd0.4985 Mn1.0015 S1.75 -","- Gd7.976 Mn16.024 S28 -","16","1","","Liang, I. C.; Weng, C. Y.; Huang, C.; Chang, C. K.; Sheu, H. S.; Lin, J. G.; Hsu, K. F.","New metal chalcogenides found in MnN-1(Gd2-xInx)SN+2 (N = 3, 4, 5): syntheses, structures, and magnetic properties.","Dalton transactions (Cambridge, England : 2003)","2017","46","4","1228","1236","10.1039/c6dt04382h","","","0.71073","MoKα","","0.0171","0.0144","","","0.0291","0.0297","","","","","","1.015","","","","has coordinates","191622","2020-10-21","18:00:00",""
"7041495","9.758","0.003","18.451","0.005","42.443","0.011","90","","90","","90","","7642","4","298","2","298","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C40 H47 N4 O6 Ru -","- C40 H47 N4 O6 Ru -","- C320 H376 N32 O48 Ru8 -","8","1","","Lu, Zhongkai; Gao, Yan; Chen, Hu; Liu, Zhao; Sun, Licheng","Water oxidation catalyzed by a charge-neutral mononuclear ruthenium(iii) complex.","Dalton transactions (Cambridge, England : 2003)","2017","46","4","1304","1310","10.1039/c6dt04160d","","","0.71073","MoKα","","0.1888","0.0785","","","0.1434","0.1838","","","","","","1.026","","","","has coordinates","191618","2020-10-21","18:00:00",""
"7041496","14.61","0.002","16.549","0.003","14.945","0.002","90","","106.963","0.002","90","","3456.2","0.9","296","2","296","2","","","","","","","","8","P 1 21/n 1","-P 2yn","14","","","","- C47 H41 Br2 Cl5 N4 O8 P2 Re2 -","- C46 H40 Br2 Cl2 N4 O8 P2 Re2 -","- C92 H80 Br4 Cl4 N8 O16 P4 Re4 -","2","0.5","","Saldías, Marianela; Manzur, Jorge; Palacios, Rodrigo E.; Gómez, María L; Fuente, Julio De La; Günther, Germán; Pizarro, Nancy; Vega, Andrés","The binuclear dual emitter [Br(CO)3Re(PN)(NP)Re(CO)3Br] (PN): 3-chloro-6-(4-diphenylphosphinyl)butoxypyridazine, a new bridging P,N-bidentate ligand resulting from the ring opening of tetrahydrofuran.","Dalton transactions (Cambridge, England : 2003)","2017","46","5","1567","1576","10.1039/c6dt04158b","","","0.71073","MoKα","","0.123","0.0644","","","0.1467","0.1685","","","","","","0.999","","","","has coordinates","210357","2020-10-21","18:00:00",""
"7041497","7.3692","0.0007","12.7821","0.0012","13.2426","0.0013","61.872","0.004","81.346","0.005","75.593","0.004","1064.66","0.18","150","2","150","2","","","","","","","","4","P -1","-P 1","2","","1,2-di(pyridin-2-yl)-ethanone oxime","","- C12 H11 N3 O -","- C12 H11 N3 O -","- C48 H44 N12 O4 -","4","2","","Deville, Claire; McKee, Vickie; McKenzie, Christine J.","Copper-promoted methylene C-H oxidation to a ketone derivative by O2.","Dalton transactions (Cambridge, England : 2003)","2017","46","3","709","719","10.1039/c6dt03349k","","","0.71073","MoKα","","0.0377","0.0337","","","0.0857","0.0886","","","","","","1.052","","","","has coordinates","202518","2020-10-21","18:00:00",""
"7041498","9.1571","0.0007","13.7528","0.0013","8.6319","0.0008","90","","90","","90","","1087.06","0.17","150","2","150","2","","","","","","","","4","P n a 21","P 2c -2n","33","","1,2-di(pyridin-2-yl)-ethanone oxime","","- C12 H11 N3 O -","- C12 H11 N3 O -","- C48 H44 N12 O4 -","4","1","","Deville, Claire; McKee, Vickie; McKenzie, Christine J.","Copper-promoted methylene C-H oxidation to a ketone derivative by O2.","Dalton transactions (Cambridge, England : 2003)","2017","46","3","709","719","10.1039/c6dt03349k","","","0.71073","MoKα","","0.0571","0.0551","","","0.162","0.1644","","","","","","1.103","","","","has coordinates","191624","2020-10-21","18:00:00",""
"7041499","14.0794","0.0009","13.7668","0.001","14.7078","0.0009","90","","116.071","0.003","90","","2560.7","0.3","150","2","150","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C25 H28 Br2 N6 Ni O3 -","- C24 H22 Br2 N6 Ni O2 -","- C96 H88 Br8 N24 Ni4 O8 -","4","1","","Deville, Claire; McKee, Vickie; McKenzie, Christine J.","Copper-promoted methylene C-H oxidation to a ketone derivative by O2.","Dalton transactions (Cambridge, England : 2003)","2017","46","3","709","719","10.1039/c6dt03349k","","","0.71073","MoKα","","0.0442","0.0403","","","0.1065","0.1077","","","","","","1.008","","","","has coordinates","191624","2020-10-21","18:00:00",""
"7041500","11.9564","0.0007","19.5919","0.0012","20.5409","0.0012","90","","104.883","0.003","90","","4650.3","0.5","150","2","150","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C42 H48 Cl2 N9 Ni O14 -","- C36 H33 Cl2 N9 Ni O11 -","- C144 H132 Cl8 N36 Ni4 O44 -","4","1","","Deville, Claire; McKee, Vickie; McKenzie, Christine J.","Copper-promoted methylene C-H oxidation to a ketone derivative by O2.","Dalton transactions (Cambridge, England : 2003)","2017","46","3","709","719","10.1039/c6dt03349k","","","0.71073","MoKα","","0.0589","0.0407","","","0.1001","0.1085","","","","","","1.011","","","","has coordinates","191624","2020-10-21","18:00:00",""
"7041501","6.9995","0.0009","13.0502","0.0015","15.8518","0.0019","69.489","0.007","77.659","0.008","82.462","0.007","1322.3","0.3","150","2","150","2","","","","","","","","6","P -1","-P 1","2","","","","- C24 H22 Cl2 Cu N6 O10 -","- C24 H22 Cl2 Cu N6 O10 -","- C48 H44 Cl4 Cu2 N12 O20 -","2","1","","Deville, Claire; McKee, Vickie; McKenzie, Christine J.","Copper-promoted methylene C-H oxidation to a ketone derivative by O2.","Dalton transactions (Cambridge, England : 2003)","2017","46","3","709","719","10.1039/c6dt03349k","","","0.71073","MoKα","","0.1094","0.0554","","","0.106","0.1219","","","","","","1.013","","","","has coordinates","191624","2020-10-21","18:00:00",""
"7041502","34.878","0.004","34.878","0.004","12.477","0.003","90","","90","","120","","13144","4","150","2","150","2","","","","","","","","6","R -3 :H","-R 3","148","","","","- C26.67 H23.33 Cl Cu N6 O9.33 -","- C24 H17 Cl Cu N6 O8 -","- C432 H306 Cl18 Cu18 N108 O144 -","18","1","","Deville, Claire; McKee, Vickie; McKenzie, Christine J.","Copper-promoted methylene C-H oxidation to a ketone derivative by O2.","Dalton transactions (Cambridge, England : 2003)","2017","46","3","709","719","10.1039/c6dt03349k","","","0.71073","MoKα","","0.0614","0.0427","","","0.1003","0.1057","","","","","","0.825","","","","has coordinates","191624","2020-10-21","18:00:00",""
"7041503","17.9821","0.0006","17.9821","0.0006","22.4936","0.0015","90","","90","","120","","6299","0.5","150","2","150","2","","","","","","","","6","R 3 c :H","R 3 -2""c","161","","","","- C36 H33 Cl3 Co N9 O15 -","- C36 H33 Cl3 Co N9 O15 -","- C216 H198 Cl18 Co6 N54 O90 -","6","0.333333","","Deville, Claire; McKee, Vickie; McKenzie, Christine J.","Copper-promoted methylene C-H oxidation to a ketone derivative by O2.","Dalton transactions (Cambridge, England : 2003)","2017","46","3","709","719","10.1039/c6dt03349k","","","0.71073","MoKα","","0.0345","0.0289","","","0.0694","0.0717","","","","","","1.08","","","","has coordinates,has disorder","191624","2020-10-21","18:00:00",""
"7041504","13.0092","0.0007","14.3276","0.0007","15.007","0.0008","91.302","0.003","113.159","0.003","111.623","0.003","2344.3","0.2","150","2","150","2","","","","","","","","7","P -1","-P 1","2","","","","- C76 H81 F24 Fe3 N18 O11 P4 -","- C76 H81 F24 Fe3 N18 O11 P4 -","- C76 H81 F24 Fe3 N18 O11 P4 -","1","0.5","","Deville, Claire; McKee, Vickie; McKenzie, Christine J.","Copper-promoted methylene C-H oxidation to a ketone derivative by O2.","Dalton transactions (Cambridge, England : 2003)","2017","46","3","709","719","10.1039/c6dt03349k","","","0.71073","MoKα","","0.0575","0.0451","","","0.1247","0.1352","","","","","","1.024","","","","has coordinates,has disorder","191624","2020-10-21","18:00:00",""
"7041505","25.53","0.03","11.192","0.012","8.628","0.009","90","","91.324","0.014","90","","2465","5","100","2","100","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C44 H56 N2 Ni O14 S2 -","- C44 H56 N2 Ni O14 S2 -","- C88 H112 N4 Ni2 O28 S4 -","2","0.5","","Li, Jiyuan; Hu, Huiping; Zhu, Shan; Hu, Fang; Wang, Yongxi","The coordination structure of the extracted nickel(ii) complex with a synergistic mixture containing dinonylnaphthalene sulfonic acid and 2-ethylhexyl 4-pyridinecarboxylate ester.","Dalton transactions (Cambridge, England : 2003)","2017","46","4","1075","1082","10.1039/c6dt04369k","","","0.71073","MoKα","","0.081","0.0543","","","0.1361","0.1506","","","","","","1.059","","","","has coordinates,has disorder","191606","2020-10-21","18:00:00",""
"7041506","8.613","0.0004","14.4059","0.0006","19.2824","0.0008","90","","90","","90","","2392.52","0.18","100","2","100","2","","","","","","","","8","P 21 21 21","P 2ac 2ab","19","","","","- C20 H27 F6 Ir N O2 S Sb -","- C20 H27 F6 Ir N O2 S Sb -","- C80 H108 F24 Ir4 N4 O8 S4 Sb4 -","4","1","","Carmona, María; Rodríguez, Ricardo; Lahoz, Fernando J.; García-Orduña, Pilar; Cativiela, Carlos; López, José A; Carmona, Daniel","Half-sandwich complexes of iridium and ruthenium containing cysteine-derived ligands.","Dalton transactions (Cambridge, England : 2003)","2017","46","3","962","976","10.1039/c6dt04341k","","","0.71073","MoKα","","0.0139","0.0137","","","0.0336","0.0337","","","","","","1.114","","","","has coordinates","191639","2020-10-21","18:00:00",""
"7041507","6.4","0.002","8.58","0.003","10.802","0.004","106.749","0.005","104.441","0.004","96.194","0.005","539.6","0.3","296","2","296","2","","","","","","","","5","P -1","-P 1","2","","[Fe(N3)2(4-mpc)]n","","- C7 H7 Fe N7 O2 -","- C7 H7 Fe N7 O2 -","- C14 H14 Fe2 N14 O4 -","2","1","","Deng, Yi-Fei; Han, Tian; Xue, Wei; Hayashi, Naoaki; Kageyama, Hiroshi; Zheng, Yan-Zhen","An Ising iron(ii) chain exhibits a large finite-size energy barrier and ""hard"" magnetic behaviour.","Dalton transactions (Cambridge, England : 2003)","2017","46","5","1449","1454","10.1039/c6dt03943j","","","0.71073","MoKα","","0.0638","0.0512","","","0.155","0.1629","","","","","","1.07","","","","has coordinates","191667","2020-10-21","18:00:00",""
"7041508","12.0191","0.0002","15.0776","0.0002","15.5604","0.0002","63.8858","0.0006","86.7571","0.0007","85.2352","0.0007","2522.61","0.06","150","2","150","2","","","","","","","","6","P -1","-P 1","2","","","","- C77 H118 Cl6 Cu5 N16 O38 -","- C77 H118 Cl6 Cu5 N16 O38 -","- C77 H118 Cl6 Cu5 N16 O38 -","1","0.5","","Chiang, Chun-Hung; Tzeng, Yen-Wen; Yang, Chen-I; Nakano, Motohiro; Wan, Wun-Long; Lai, Long-Li; Lee, Gene-Hsiang","The synthesis of three new Cu5, Cu8 and Cu12 clusters via the use of a semi-flexible aminotriazine-based bis-methylpyridine ligand.","Dalton transactions (Cambridge, England : 2003)","2017","46","4","1237","1248","10.1039/c6dt04236h","","","0.71073","MoKα","","0.0884","0.0613","","","0.1683","0.1848","","","","","","1.05","","","","has coordinates,has disorder","191619","2020-10-21","18:00:00",""
"7041509","12.859","0.0012","15.819","0.0015","16.8926","0.0016","116.752","0.002","91.136","0.002","96.267","0.002","3040.9","0.5","150","2","150","2","","","","","","","","6","P -1","-P 1","2","","","","- C100 H118 Cl10 Cu8 N16 O42 -","- C100 H118 Cl10 Cu8 N16 O42 -","- C100 H118 Cl10 Cu8 N16 O42 -","1","0.5","","Chiang, Chun-Hung; Tzeng, Yen-Wen; Yang, Chen-I; Nakano, Motohiro; Wan, Wun-Long; Lai, Long-Li; Lee, Gene-Hsiang","The synthesis of three new Cu5, Cu8 and Cu12 clusters via the use of a semi-flexible aminotriazine-based bis-methylpyridine ligand.","Dalton transactions (Cambridge, England : 2003)","2017","46","4","1237","1248","10.1039/c6dt04236h","","","0.71073","MoKα","","0.1067","0.0675","","","0.1821","0.2085","","","","","","1.108","","","","has coordinates","191619","2020-10-21","18:00:00",""
"7041510","31.219","0.002","15.7907","0.0011","29.2134","0.0019","90","","100.182","0.001","90","","14174.5","1.6","150","2","150","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C136 H138 Cl2 Cu12 N34 O29 -","- C136 H138 Cl2 Cu12 N34 O29 -","- C544 H552 Cl8 Cu48 N136 O116 -","4","0.5","","Chiang, Chun-Hung; Tzeng, Yen-Wen; Yang, Chen-I; Nakano, Motohiro; Wan, Wun-Long; Lai, Long-Li; Lee, Gene-Hsiang","The synthesis of three new Cu5, Cu8 and Cu12 clusters via the use of a semi-flexible aminotriazine-based bis-methylpyridine ligand.","Dalton transactions (Cambridge, England : 2003)","2017","46","4","1237","1248","10.1039/c6dt04236h","","","0.71073","MoKα","","0.0794","0.0474","","","0.1101","0.1192","","","","","","1.058","","","","has coordinates","191619","2020-10-21","18:00:00",""
"7041511","12.75","0.0016","13.1264","0.0016","13.4477","0.0016","76.352","0.005","77.706","0.005","74.69","0.005","2082","0.4","100","2","100","2","","","","","","","","4","P 1","P 1","1","","","","- C42 H60 Ga O6 -","- C42 H60 Ga O6 -","- C84 H120 Ga2 O12 -","2","2","","Das, Chinmoy; Shukla, Pragya; Sorace, Lorenzo; Shanmugam, Maheswaran","Structural and magnetic properties of semiquinonate based Al(iii) and Ga(iii) complexes.","Dalton transactions (Cambridge, England : 2003)","2017","46","5","1439","1448","10.1039/c6dt04281c","","","0.71073","MoKα","","0.0456","0.042","","","0.097","0.0997","","","","","","1.029","","","","has coordinates","191670","2020-10-21","18:00:00",""
"7041512","13.8998","0.0009","25.4983","0.0016","24.0102","0.0015","90","","101.963","0.001","90","","8324.9","0.9","100","2","100","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C84 H122 Al2 O12 -","- C84 H122 Al2 O12 -","- C336 H488 Al8 O48 -","4","1","","Das, Chinmoy; Shukla, Pragya; Sorace, Lorenzo; Shanmugam, Maheswaran","Structural and magnetic properties of semiquinonate based Al(iii) and Ga(iii) complexes.","Dalton transactions (Cambridge, England : 2003)","2017","46","5","1439","1448","10.1039/c6dt04281c","","","0.71073","MoKα","","0.1092","0.0751","","","0.2168","0.2418","","","","","","1.049","","","","has coordinates,has disorder","191670","2020-10-21","18:00:00",""
"7041513","14.7035","0.0004","3.79321","0.00009","17.8136","0.0005","90","","92.866","0.003","90","","992.28","0.05","120","2","120","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C10 H7 Cl N2 O S -","- C10 H7 Cl N2 O S -","- C40 H28 Cl4 N8 O4 S4 -","4","1","","Sagar, Shipra; Sengupta, Swaraj; Mota, Antonio J.; Chattopadhyay, Shyamal K.; Espinosa Ferao, Arturo; Riviere, Eric; Lewis, William; Naskar, Subhendu","Cubane-like tetranuclear Cu(ii) complexes bearing a Cu4O4 core: crystal structure, magnetic properties, DFT calculations and phenoxazinone synthase like activity.","Dalton transactions (Cambridge, England : 2003)","2017","46","4","1249","1259","10.1039/c6dt03754b","","x-ray","1.54184","CuKα","","0.0419","0.0381","","","0.1092","0.1145","","","","","","1.05","","","","has coordinates","191621","2020-10-21","18:00:00",""
"7041514","14.5168","0.0009","14.9751","0.001","15.6509","0.001","81.622","0.005","71.061","0.006","71.633","0.006","3050.7","0.4","120","2","120","2","","","","","","","","7","P -1","-P 1","2","","","","- C44 H44 Cl4 Cu4 N8 O12 S6 -","- C44 H40 Cl4 Cu4 N8 O12 S6 -","- C88 H80 Cl8 Cu8 N16 O24 S12 -","2","1","","Sagar, Shipra; Sengupta, Swaraj; Mota, Antonio J.; Chattopadhyay, Shyamal K.; Espinosa Ferao, Arturo; Riviere, Eric; Lewis, William; Naskar, Subhendu","Cubane-like tetranuclear Cu(ii) complexes bearing a Cu4O4 core: crystal structure, magnetic properties, DFT calculations and phenoxazinone synthase like activity.","Dalton transactions (Cambridge, England : 2003)","2017","46","4","1249","1259","10.1039/c6dt03754b","","x-ray","1.54184","CuKα","","0.0845","0.0704","","","0.1821","0.1941","","","","","","1.029","","","","has coordinates,has disorder","191621","2020-10-21","18:00:00",""
"7041515","14.5404","0.0014","15.0453","0.0015","15.6677","0.0016","81.325","0.009","70.62","0.009","71.468","0.009","3061.7","0.6","120","2","120","2","","","","","","","","7","P -1","-P 1","2","","","","- C44 H44 Br4 Cu4 N8 O12 S6 -","- C44 H40 Br4 Cu4 N8 O12 S6 -","- C88 H80 Br8 Cu8 N16 O24 S12 -","2","1","","Sagar, Shipra; Sengupta, Swaraj; Mota, Antonio J.; Chattopadhyay, Shyamal K.; Espinosa Ferao, Arturo; Riviere, Eric; Lewis, William; Naskar, Subhendu","Cubane-like tetranuclear Cu(ii) complexes bearing a Cu4O4 core: crystal structure, magnetic properties, DFT calculations and phenoxazinone synthase like activity.","Dalton transactions (Cambridge, England : 2003)","2017","46","4","1249","1259","10.1039/c6dt03754b","","x-ray","1.54184","CuKα","","0.1781","0.1273","","","0.3317","0.3879","","","","","","1.221","","","","has coordinates,has disorder","191621","2020-10-21","18:00:00",""
"7041516","11.0604","0.0007","11.0621","0.0008","11.2138","0.0009","65.087","0.008","86.182","0.006","69.916","0.006","1163.77","0.17","293","2","293","2","","","","","","","","6","P -1","-P 1","2","","","","- C28 H20 B2 F4 Fe N4 -","- C28 H20 B2 F4 Fe N4 -","- C56 H40 B4 F8 Fe2 N8 -","2","1","","Kaur, Navdeep; Van Steerteghem, Nick; Singla, Priya; Kaur, Paramjit; Clays, Koen; Singh, Kamaljit","Second-order nonlinear polarizability of ferrocene-BODIPY donor-acceptor adducts. Quantifying charge redistribution in the excited state.","Dalton transactions (Cambridge, England : 2003)","2017","46","4","1124","1133","10.1039/c6dt04455g","","","0.71073","MoKα","","0.1068","0.0707","","","0.1734","0.2177","","","","","","1.102","","","","has coordinates","191604","2020-10-21","18:00:00",""
"7041517","11.4717","0.0004","11.7174","0.0004","13.2142","0.0005","70.568","0.001","75.978","0.001","79.815","0.001","1616.13","0.1","150","2","150","2","","","","","","","synthesized by the authors","6","P -1","-P 1","2","","","","- C32 H28 F12 Fe N2 P2 -","- C32 H28 F12 Fe N2 P2 -","- C64 H56 F24 Fe2 N4 P4 -","2","1","","Buckley, Laura E. R.; Coe, Benjamin J.; Rusanova, Daniela; Sánchez, Sergio; Jirásek, Michael; Joshi, Vishwas D.; Vávra, Jan; Khobragade, Dushant; Pospíšil, Lubomír; Ramešová, Šárka; Císařová, Ivana; Šaman, David; Pohl, Radek; Clays, Koen; Van Steerteghem, Nick; Brunschwig, Bruce S.; Teplý, Filip","Ferrocenyl helquats: unusual chiral organometallic nonlinear optical chromophores.","Dalton transactions (Cambridge, England : 2003)","2017","46","4","1052","1064","10.1039/c6dt04347j","","","0.71073","MoKα","","0.0511","0.0375","","","0.0871","0.0931","","","","","","1.029","","","","has coordinates","191609","2020-10-21","18:00:00",""
"7041518","9.0901","0.0017","9.3897","0.0018","14.34","0.003","101.832","0.002","98.774","0.002","94.619","0.002","1176","0.4","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","","","- C21 H22 N5 O6 Re -","- C21 H22 N5 O6 Re -","- C42 H44 N10 O12 Re2 -","2","1","","Hayes, Thomas R.; Bottorff, Shalina C.; Slocumb, Winston S.; Barnes, Charles L.; Clark, Aurora E.; Benny, Paul D.","Influence of bidentate ligand donor types on the formation and stability in 2 + 1 fac-[M(I)(CO)3](+) (M = Re, (99m)Tc) complexes.","Dalton transactions (Cambridge, England : 2003)","2017","46","4","1134","1144","10.1039/c6dt04282a","","","0.71073","MoKα","","0.0177","0.0166","","","0.0429","0.0432","","","","","","1.03","","","","has coordinates","191617","2020-10-21","18:00:00",""
"7041519","8.3595","0.0008","11.0688","0.001","14.8076","0.0013","86.308","0.001","87.124","0.001","86.99","0.001","1363.9","0.2","100","2","100","2","","","","","","","","7","P -1","-P 1","2","","","","- C25 H22 F3 N6 O6 Re S -","- C25 H22 F3 N6 O6 Re S -","- C50 H44 F6 N12 O12 Re2 S2 -","2","1","","Hayes, Thomas R.; Bottorff, Shalina C.; Slocumb, Winston S.; Barnes, Charles L.; Clark, Aurora E.; Benny, Paul D.","Influence of bidentate ligand donor types on the formation and stability in 2 + 1 fac-[M(I)(CO)3](+) (M = Re, (99m)Tc) complexes.","Dalton transactions (Cambridge, England : 2003)","2017","46","4","1134","1144","10.1039/c6dt04282a","","","0.71073","MoKα","","0.0206","0.0187","","","0.0438","0.0446","","","","","","1.031","","","","has coordinates","191617","2020-10-21","18:00:00",""
"7041520","28.753","0.006","14.023","0.003","14.055","0.003","90","","113.768","0.002","90","","5186.4","1.9","100","2","100","2","","","","","","","","7","C 1 2/c 1","-C 2yc","15","","","","- C21 H23 F6 N5 O4 P Re -","- C21 H19 F6 N5 O4 P Re -","- C168 H152 F48 N40 O32 P8 Re8 -","8","1","","Hayes, Thomas R.; Bottorff, Shalina C.; Slocumb, Winston S.; Barnes, Charles L.; Clark, Aurora E.; Benny, Paul D.","Influence of bidentate ligand donor types on the formation and stability in 2 + 1 fac-[M(I)(CO)3](+) (M = Re, (99m)Tc) complexes.","Dalton transactions (Cambridge, England : 2003)","2017","46","4","1134","1144","10.1039/c6dt04282a","","","0.71073","MoKα","","0.0514","0.0414","","","0.0814","0.085","","","","","","1.145","","","","has coordinates,has disorder","191617","2020-10-21","18:00:00",""
"7041521","25.988","0.006","12.548","0.003","14.946","0.003","90","","95.685","0.002","90","","4849.9","1.9","100","2","100","2","","","","","","","","7","C 1 2/c 1","-C 2yc","15","","","","- C21.5 H20 F3 N4 O6.5 Re S -","- C21.5 H18 F3 N4 O6.5 Re S -","- C172 H144 F24 N32 O52 Re8 S8 -","8","1","","Hayes, Thomas R.; Bottorff, Shalina C.; Slocumb, Winston S.; Barnes, Charles L.; Clark, Aurora E.; Benny, Paul D.","Influence of bidentate ligand donor types on the formation and stability in 2 + 1 fac-[M(I)(CO)3](+) (M = Re, (99m)Tc) complexes.","Dalton transactions (Cambridge, England : 2003)","2017","46","4","1134","1144","10.1039/c6dt04282a","","","0.71073","MoKα","","0.0428","0.0289","","","0.0643","0.0752","","","","","","1.07","","","","has coordinates","191617","2020-10-21","18:00:00",""
"7041522","12.844","0.003","13.622","0.003","22.059","0.005","90","","108.821","0.011","90","","3653.1","1.5","173","2","173","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C33 H54 Fe N3 Si2 -","- C33 H54 Fe N3 Si2 -","- C132 H216 Fe4 N12 Si8 -","4","1","","Danopoulos, Andreas A.; Braunstein, Pierre; Monakhov, Kirill Yu; van Leusen, Jan; Kögerler, Paul; Clémancey, Martin; Latour, Jean-Marc; Benayad, Anass; Tromp, Moniek; Rezabal, Elixabete; Frison, Gilles","Heteroleptic, two-coordinate [M(NHC){N(SiMe3)2}] (M = Co, Fe) complexes: synthesis, reactivity and magnetism rationalized by an unexpected metal oxidation state.","Dalton transactions (Cambridge, England : 2003)","2017","46","4","1163","1171","10.1039/c6dt03565e","","","0.71073","MoKα","","0.1404","0.1115","","","0.3021","0.3378","","","","","","1.342","","","","has coordinates","191603","2020-10-21","18:00:00",""
"7041523","12.8532","0.0006","13.6697","0.0006","21.9596","0.0009","90","","108.401","0.002","90","","3661","0.3","173","2","173","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C33 H54 Co N3 Si2 -","- C33 H54 Co N3 Si2 -","- C132 H216 Co4 N12 Si8 -","4","1","","Danopoulos, Andreas A.; Braunstein, Pierre; Monakhov, Kirill Yu; van Leusen, Jan; Kögerler, Paul; Clémancey, Martin; Latour, Jean-Marc; Benayad, Anass; Tromp, Moniek; Rezabal, Elixabete; Frison, Gilles","Heteroleptic, two-coordinate [M(NHC){N(SiMe3)2}] (M = Co, Fe) complexes: synthesis, reactivity and magnetism rationalized by an unexpected metal oxidation state.","Dalton transactions (Cambridge, England : 2003)","2017","46","4","1163","1171","10.1039/c6dt03565e","","","0.71073","MoKα","","0.0755","0.0429","","","0.0888","0.1018","","","","","","1.043","","","","has coordinates","191603","2020-10-21","18:00:00",""
"7041524","12.1174","0.0005","12.5086","0.0005","13.6791","0.0005","102.249","0.001","113.915","0.001","99.529","0.001","1777.26","0.12","173","2","173","2","","","","","","","","4","P -1","-P 1","2","","","","- C72 H96 Co2 N6 -","- C72 H96 Co2 N6 -","- C72 H96 Co2 N6 -","1","0.5","","Danopoulos, Andreas A.; Braunstein, Pierre; Monakhov, Kirill Yu; van Leusen, Jan; Kögerler, Paul; Clémancey, Martin; Latour, Jean-Marc; Benayad, Anass; Tromp, Moniek; Rezabal, Elixabete; Frison, Gilles","Heteroleptic, two-coordinate [M(NHC){N(SiMe3)2}] (M = Co, Fe) complexes: synthesis, reactivity and magnetism rationalized by an unexpected metal oxidation state.","Dalton transactions (Cambridge, England : 2003)","2017","46","4","1163","1171","10.1039/c6dt03565e","","","0.71073","MoKα","","0.0555","0.0464","","","0.13","0.1359","","","","","","1.14","","","","has coordinates","191603","2020-10-21","18:00:00",""
"7041525","11.0494","0.0005","14.3909","0.0007","28.2527","0.0013","90","","108.87","0.002","90","","4251","0.3","173","2","173","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C80 H124 Fe2 K2 N6 Si4 -","- C80 H124 Fe2 K2 N6 Si4 -","- C160 H248 Fe4 K4 N12 Si8 -","2","0.5","","Danopoulos, Andreas A.; Braunstein, Pierre; Monakhov, Kirill Yu; van Leusen, Jan; Kögerler, Paul; Clémancey, Martin; Latour, Jean-Marc; Benayad, Anass; Tromp, Moniek; Rezabal, Elixabete; Frison, Gilles","Heteroleptic, two-coordinate [M(NHC){N(SiMe3)2}] (M = Co, Fe) complexes: synthesis, reactivity and magnetism rationalized by an unexpected metal oxidation state.","Dalton transactions (Cambridge, England : 2003)","2017","46","4","1163","1171","10.1039/c6dt03565e","","","0.71073","MoKα","","0.1185","0.0665","","","0.1527","0.1773","","","","","","1.033","","","","has coordinates","191603","2020-10-21","18:00:00",""
"7041526","11.9542","0.0013","8.4901","0.0009","15.1312","0.0016","90","","91.856","0.001","90","","1534.9","0.3","123","2","123","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C8 H16 N3 O13 Tb -","- C8 H16 N3 O13 Tb -","- C32 H64 N12 O52 Tb4 -","4","1","","Gao, Feng; Yang, Feng-Lei; Feng, Xiaowan; Xu, Huimin; Sun, Wang; Liu, Huan; Li, Xiu-Ling","Half-sandwich lanthanide crown ether complexes with the slow relaxation of magnetization and photoluminescence behaviors.","Dalton transactions (Cambridge, England : 2003)","2017","46","4","1317","1323","10.1039/c6dt04353d","","","0.71073","MoKα","","0.0237","0.021","","","0.0466","0.0476","","","","","","1.049","","","","has coordinates","191607","2020-10-21","18:00:00",""
"7041527","12.093","0.0019","8.5348","0.0014","15.134","0.002","90","","91.562","0.002","90","","1561.4","0.4","123","2","123","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C8 H16 Er N3 O13 -","- C8 H16 Er N3 O13 -","- C32 H64 Er4 N12 O52 -","4","1","","Gao, Feng; Yang, Feng-Lei; Feng, Xiaowan; Xu, Huimin; Sun, Wang; Liu, Huan; Li, Xiu-Ling","Half-sandwich lanthanide crown ether complexes with the slow relaxation of magnetization and photoluminescence behaviors.","Dalton transactions (Cambridge, England : 2003)","2017","46","4","1317","1323","10.1039/c6dt04353d","","","0.71073","MoKα","","0.032","0.0251","","","0.0491","0.0513","","","","","","1.014","","","","has coordinates","191607","2020-10-21","18:00:00",""
"7041528","12.0939","0.0013","8.5411","0.0009","15.18","0.0017","90","","91.679","0.001","90","","1567.3","0.3","123","2","123","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C8 H16 Dy N3 O13 -","- C8 H16 Dy N3 O13 -","- C32 H64 Dy4 N12 O52 -","4","1","","Gao, Feng; Yang, Feng-Lei; Feng, Xiaowan; Xu, Huimin; Sun, Wang; Liu, Huan; Li, Xiu-Ling","Half-sandwich lanthanide crown ether complexes with the slow relaxation of magnetization and photoluminescence behaviors.","Dalton transactions (Cambridge, England : 2003)","2017","46","4","1317","1323","10.1039/c6dt04353d","","","0.71073","MoKα","","0.0304","0.0256","","","0.0607","0.0631","","","","","","0.938","","","","has coordinates","191607","2020-10-21","18:00:00",""
"7041529","11.9303","0.0008","8.4868","0.0005","15.0895","0.0009","90","","91.7","0.001","90","","1527.14","0.16","123","2","123","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C8 H16 Ho N3 O13 -","- C8 H16 Ho N3 O13 -","- C32 H64 Ho4 N12 O52 -","4","1","","Gao, Feng; Yang, Feng-Lei; Feng, Xiaowan; Xu, Huimin; Sun, Wang; Liu, Huan; Li, Xiu-Ling","Half-sandwich lanthanide crown ether complexes with the slow relaxation of magnetization and photoluminescence behaviors.","Dalton transactions (Cambridge, England : 2003)","2017","46","4","1317","1323","10.1039/c6dt04353d","","","0.71073","MoKα","","0.023","0.0205","","","0.0429","0.0437","","","","","","1.112","","","","has coordinates","191607","2020-10-21","18:00:00",""
"7041530","7.7839","0.0016","6.5316","0.0013","10.911","0.002","90","","104.846","0.007","90","","536.21","0.18","293","2","293","2","","","","","","","","6","P 1 21/m 1","-P 2yb","11","","","","- C8 H7 Cu F2 N3 O3 -","- C8 H7 Cu F2 N3 O3 -","- C16 H14 Cu2 F4 N6 O6 -","2","0.5","","Liu, Xiangyu; Li, Feifei; Ma, Xiaohui; Cen, Peipei; Luo, Shuchang; Shi, Quan; Ma, Shenru; Wu, Yuewei; Zhang, Chengcheng; Xu, Zhao; Song, Weiming; Xie, Gang; Chen, Sanping","Coligand modifications fine-tuned the structure and magnetic properties of two triple-bridged azido-Cu(ii) chain compounds exhibiting ferromagnetic ordering and slow relaxation.","Dalton transactions (Cambridge, England : 2003)","2017","46","4","1207","1217","10.1039/c6dt04108f","","","0.71073","MoKα","","0.0516","0.0393","","","0.0919","0.0983","","","","","","1.064","","","","has coordinates","191620","2020-10-21","18:00:00",""
"7041531","6.41","0.003","7.512","0.003","22.879","0.01","90","","90","","90","","1101.7","0.8","293","2","293","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C8 H8 Cu F N3 O3 -","- C8 H8 Cu F N3 O3 -","- C32 H32 Cu4 F4 N12 O12 -","4","1","","Liu, Xiangyu; Li, Feifei; Ma, Xiaohui; Cen, Peipei; Luo, Shuchang; Shi, Quan; Ma, Shenru; Wu, Yuewei; Zhang, Chengcheng; Xu, Zhao; Song, Weiming; Xie, Gang; Chen, Sanping","Coligand modifications fine-tuned the structure and magnetic properties of two triple-bridged azido-Cu(ii) chain compounds exhibiting ferromagnetic ordering and slow relaxation.","Dalton transactions (Cambridge, England : 2003)","2017","46","4","1207","1217","10.1039/c6dt04108f","","","0.71073","MoKα","","0.0309","0.0248","","","0.0634","0.0663","","","","","","1.053","","","","has coordinates,has disorder","191620","2020-10-21","18:00:00",""
"7041532","8.0093","0.0002","9.9381","0.0004","27.1665","0.0009","84.786","0.003","86.532","0.003","70.962","0.003","2034.55","0.12","293.1","0.2","293.1","0.2","","","","","","","","5","P -1","-P 1","2","(C12OphObpy)Pt","","","- C46 H62 N2 O4 Pt -","- C46 H62 N2 O4 Pt -","- C92 H124 N4 O8 Pt2 -","2","1","","Zhang, Shilin; Luo, Kaijun; Geng, Hao; Ni, Hailiang; Wang, Haifeng; Li, Quan","New phosphorescent platinum(ii) complexes with tetradentate C*N^N*C ligands: liquid crystallinity and polarized emission.","Dalton transactions (Cambridge, England : 2003)","2017","46","3","899","906","10.1039/c6dt04502b","","x-ray","0.71073","MoKα","","0.0344","0.0302","","","0.0697","0.0726","","","","","","1.056","","","","has coordinates","191623","2020-10-21","18:00:00",""
"7041533","18.7766","0.0005","12.825","0.0003","11.6171","0.0003","90","","109.073","0.001","90","","2643.94","0.12","120","","120","","","","","","","","","3","C 1 c 1","C -2yc","9","","","","- C36 H28 Fe3 -","- C36 H28 Fe3 -","- C144 H112 Fe12 -","4","1","","Vincent, Kevin B.; Gluyas, Josef B. G.; Zeng, Qiang; Yufit, Dmitry S.; Howard, Judith A. K.; Hartl, František; Low, Paul J.","Sandwich and half-sandwich metal complexes derived from cross-conjugated 3-methylene-penta-1,4-diynes.","Dalton transactions (Cambridge, England : 2003)","2017","46","17","5522","5531","10.1039/c6dt04470k","","","0.71073","MoKα","","0.049","0.0427","","","0.1046","0.1101","","","","","","1.065","","","","has coordinates,has disorder","196399","2020-10-21","18:00:00",""
"7041534","12.10121","0.00019","31.5936","0.0004","14.8655","0.0002","90","","103.096","0.0015","90","","5535.58","0.14","120","","120","","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C61 H51 Cl4 F6 P3 Ru -","- C61 H51 Cl4 F6 P3 Ru -","- C244 H204 Cl16 F24 P12 Ru4 -","4","1","","Vincent, Kevin B.; Gluyas, Josef B. G.; Zeng, Qiang; Yufit, Dmitry S.; Howard, Judith A. K.; Hartl, František; Low, Paul J.","Sandwich and half-sandwich metal complexes derived from cross-conjugated 3-methylene-penta-1,4-diynes.","Dalton transactions (Cambridge, England : 2003)","2017","46","17","5522","5531","10.1039/c6dt04470k","","","0.7107","MoKα","Mo","0.0552","0.0443","","","0.0969","0.1018","","","","","","1.093","","","","has coordinates,has disorder","196399","2020-10-21","18:00:00",""
"7041535","10.4352","0.0006","24.6836","0.0013","18.6025","0.001","90","","98.39","0.001","90","","4740.3","0.4","120","","120","","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C60 H48 Cl2 P2 Ru -","- C60 H48 Cl2 P2 Ru -","- C240 H192 Cl8 P8 Ru4 -","4","1","","Vincent, Kevin B.; Gluyas, Josef B. G.; Zeng, Qiang; Yufit, Dmitry S.; Howard, Judith A. K.; Hartl, František; Low, Paul J.","Sandwich and half-sandwich metal complexes derived from cross-conjugated 3-methylene-penta-1,4-diynes.","Dalton transactions (Cambridge, England : 2003)","2017","46","17","5522","5531","10.1039/c6dt04470k","","x-ray","0.71073","MoKα","K-L~3~","0.037","0.0294","","","0.0732","0.0792","","","","","","1.067","","","","has coordinates","196399","2020-10-21","18:00:00",""
"7041536","17.3142","0.0004","21.4484","0.0006","15.5983","0.0004","90","","91.039","0.001","90","","5791.7","0.3","293","2","293","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C56 H52 N4 O4 S4 Zn2 -","- C56 H52 N4 O4 S4 Zn2 -","- C224 H208 N16 O16 S16 Zn8 -","4","1","","Liu, Yi; Ye, Kaiqi; Wang, Yue; Zhang, Qichun; Bu, Xianhui; Feng, Pingyun","Multitopic ligand directed assembly of low-dimensional metal-chalcogenide organic frameworks.","Dalton transactions (Cambridge, England : 2003)","2017","46","5","1481","1486","10.1039/c6dt04453k","","","0.71073","MoKα","","0.1027","0.0683","","","0.2239","0.247","","","","","","1.05","","","","has coordinates,has disorder","198633","2020-10-21","18:00:00",""
"7041537","10.0652","0.0002","16.2745","0.0003","23.4523","0.0004","90","","97.473","0.001","90","","3809","0.12","273","2","273","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C42 H35 N3 O0 S4 Zn2 -","- C42 H35 N3 S4 Zn2 -","- C168 H140 N12 S16 Zn8 -","4","1","","Liu, Yi; Ye, Kaiqi; Wang, Yue; Zhang, Qichun; Bu, Xianhui; Feng, Pingyun","Multitopic ligand directed assembly of low-dimensional metal-chalcogenide organic frameworks.","Dalton transactions (Cambridge, England : 2003)","2017","46","5","1481","1486","10.1039/c6dt04453k","","","0.71073","MoKα","","0.0636","0.0334","","","0.0861","0.1027","","","","","","1.016","","","","has coordinates","198633","2020-10-21","18:00:00",""
"7041538","16.1137","0.0005","15.1949","0.0005","18.2017","0.0005","90","","95.247","0.002","90","","4437.9","0.2","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C51 H41 N3 S4 Zn2 -","- C51 H41 N3 S4 Zn2 -","- C204 H164 N12 S16 Zn8 -","4","1","","Liu, Yi; Ye, Kaiqi; Wang, Yue; Zhang, Qichun; Bu, Xianhui; Feng, Pingyun","Multitopic ligand directed assembly of low-dimensional metal-chalcogenide organic frameworks.","Dalton transactions (Cambridge, England : 2003)","2017","46","5","1481","1486","10.1039/c6dt04453k","","","0.71073","MoKα","","0.0944","0.0437","","","0.108","0.1168","","","","","","1.043","","","","has coordinates","198633","2020-10-21","18:00:00",""
"7041539","20.0903","0.0003","10.6969","0.0002","20.1369","0.0003","90","","96.29","0.001","90","","4301.45","0.12","293","2","293","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C26 H19 N S2 Zn -","- C26 H19 N S2 Zn -","- C208 H152 N8 S16 Zn8 -","8","1","","Liu, Yi; Ye, Kaiqi; Wang, Yue; Zhang, Qichun; Bu, Xianhui; Feng, Pingyun","Multitopic ligand directed assembly of low-dimensional metal-chalcogenide organic frameworks.","Dalton transactions (Cambridge, England : 2003)","2017","46","5","1481","1486","10.1039/c6dt04453k","","","0.71073","MoKα","","0.1128","0.048","","","0.1006","0.1085","","","","","","1.033","","","","has coordinates","198633","2020-10-21","18:00:00",""
"7041540","10.4813","0.0011","16.0788","0.0017","14.7012","0.0016","90","","103.862","0.004","90","","2405.4","0.4","100","2","100","2","","","","","","","","6","P 1 21/m 1","-P 2yb","11","","[K(H2O)4][Mn(DPAAA)(H2O)]2","","- C16 H18 K0.5 Mn N3 O9 -","- C16 H18 K0.5 Mn N3 O9 -","- C64 H72 K2 Mn4 N12 O36 -","4","1","","Forgács, Attila; Pujales-Paradela, Rosa; Regueiro-Figueroa, Martín; Valencia, Laura; Esteban-Gómez, David; Botta, Mauro; Platas-Iglesias, Carlos","Developing the family of picolinate ligands for Mn(2+) complexation.","Dalton transactions (Cambridge, England : 2003)","2017","46","5","1546","1558","10.1039/c6dt04442e","","","0.71073","MoKα","","0.0903","0.0769","","","0.2282","0.2411","","","","","","0.977","","","","has coordinates,has disorder","191660","2020-10-21","18:00:00",""
"7041541","12.581","0.002","8.8767","0.0016","23.861","0.004","90","","99.6","0.003","90","","2627.4","0.8","296","2","296","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C19 H32 B10 Cl Ir N2 O -","- C19 H32 B10 Cl Ir N2 O -","- C76 H128 B40 Cl4 Ir4 N8 O4 -","4","1","","Gao, Yang; Lin, Yue-Jian; Han, Ying-Feng; Jin, Guo-Xin","Efficient synthesis of carborane azo derivatives and their reactivity.","Dalton transactions (Cambridge, England : 2003)","2017","46","5","1585","1592","10.1039/c6dt04550b","","","0.71073","MoKα","","0.0429","0.0321","","","0.09","0.0954","","","","","","1.053","","","","has coordinates","191665","2020-10-21","18:00:00",""
"7041542","9.0717","0.0017","18.623","0.003","15.039","0.003","90","","105.994","0.003","90","","2442.4","0.8","173","2","173","2","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C18 H29 B10 Cl F Ir N2 -","- C18 H29 B10 Cl F Ir N2 -","- C72 H116 B40 Cl4 F4 Ir4 N8 -","4","1","","Gao, Yang; Lin, Yue-Jian; Han, Ying-Feng; Jin, Guo-Xin","Efficient synthesis of carborane azo derivatives and their reactivity.","Dalton transactions (Cambridge, England : 2003)","2017","46","5","1585","1592","10.1039/c6dt04550b","","","0.71073","MoKα","","0.0452","0.0415","","","0.1148","0.1175","","","","","","1.076","","","","has coordinates","191665","2020-10-21","18:00:00",""
"7041543","10.21","0.001","13.1239","0.0013","14.7976","0.0015","91.425","0.002","106.823","0.002","106.644","0.002","1805.8","0.3","296","2","296","2","","","","","","","","6","P -1","-P 1","2","","","","- C22 H43 B20 Ir N2 O3 -","- C22 H43 B20 Ir N2 O3 -","- C44 H86 B40 Ir2 N4 O6 -","2","1","","Gao, Yang; Lin, Yue-Jian; Han, Ying-Feng; Jin, Guo-Xin","Efficient synthesis of carborane azo derivatives and their reactivity.","Dalton transactions (Cambridge, England : 2003)","2017","46","5","1585","1592","10.1039/c6dt04550b","","","0.71073","MoKα","","0.0827","0.0479","","","0.1027","0.1285","","","","","","1.046","","","","has coordinates","191665","2020-10-21","18:00:00",""
"7041544","7.106","0.003","20.835","0.009","10.726","0.005","90","","96.19","0.008","90","","1578.8","1.2","173","2","173","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C8 H15 B10 Cl N2 -","- C8 H15 B10 Cl N2 -","- C32 H60 B40 Cl4 N8 -","4","1","","Gao, Yang; Lin, Yue-Jian; Han, Ying-Feng; Jin, Guo-Xin","Efficient synthesis of carborane azo derivatives and their reactivity.","Dalton transactions (Cambridge, England : 2003)","2017","46","5","1585","1592","10.1039/c6dt04550b","","","0.71073","MoKα","","0.0977","0.0566","","","0.1599","0.1872","","","","","","1.037","","","","has coordinates","191665","2020-10-21","18:00:00",""
"7041545","11.485","0.003","23.793","0.006","12.051","0.003","90","","111.001","0.004","90","","3074.3","1.4","296","2","296","2","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C25 H37 B10 Ir N2 O S -","- C25 H37 B10 Ir N2 O S -","- C100 H148 B40 Ir4 N8 O4 S4 -","4","1","","Gao, Yang; Lin, Yue-Jian; Han, Ying-Feng; Jin, Guo-Xin","Efficient synthesis of carborane azo derivatives and their reactivity.","Dalton transactions (Cambridge, England : 2003)","2017","46","5","1585","1592","10.1039/c6dt04550b","","","0.71073","MoKα","","0.0621","0.0435","","","0.1182","0.1303","","","","","","1.044","","","","has coordinates,has disorder","191665","2020-10-21","18:00:00",""
"7041546","11.445","0.003","23.872","0.007","12.067","0.004","90","","109.743","0.004","90","","3103.1","1.6","296","2","296","2","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C25 H37 B10 Ir N2 O Se -","- C25 H37 B10 Ir N2 O Se -","- C100 H148 B40 Ir4 N8 O4 Se4 -","4","1","","Gao, Yang; Lin, Yue-Jian; Han, Ying-Feng; Jin, Guo-Xin","Efficient synthesis of carborane azo derivatives and their reactivity.","Dalton transactions (Cambridge, England : 2003)","2017","46","5","1585","1592","10.1039/c6dt04550b","","","0.71073","MoKα","","0.0561","0.0351","","","0.1006","0.1322","","","","","","1.039","","","","has coordinates,has disorder","191665","2020-10-21","18:00:00",""
"7041547","9.089","0.004","18.704","0.008","15.037","0.006","90","","105.323","0.007","90","","2465.4","1.8","173","2","173","2","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C18 H29 B10 Cl F N2 Rh -","- C18 H29 B10 Cl F N2 Rh -","- C72 H116 B40 Cl4 F4 N8 Rh4 -","4","1","","Gao, Yang; Lin, Yue-Jian; Han, Ying-Feng; Jin, Guo-Xin","Efficient synthesis of carborane azo derivatives and their reactivity.","Dalton transactions (Cambridge, England : 2003)","2017","46","5","1585","1592","10.1039/c6dt04550b","","","0.71073","MoKα","","0.0797","0.0378","","","0.0704","0.0834","","","","","","0.966","","","","has coordinates","191665","2020-10-21","18:00:00",""
"7041548","10.3994","0.0004","10.3994","0.0004","18.7146","0.0009","90","","90","","90","","2023.94","0.15","100","","99.99","","","","","","","","","5","P 41 21 2","P 4abw 2nw","92","","MoO2(R-AMD)2 (AMD = N,N?-di-R-acetamidinate) R = isopropyl","","- C16 H34 Mo N4 O2 -","- C16 H34 Mo N4 O2 -","- C64 H136 Mo4 N16 O8 -","4","0.5","","Jurca, T.; Peters, A. W.; Mouat, A. R.; Farha, O. K.; Hupp, J. T.; Lohr, T. L.; Delferro, M.; Marks, T. J.","Second-generation hexavalent molybdenum oxo-amidinate precursors for atomic layer deposition.","Dalton transactions (Cambridge, England : 2003)","2017","46","4","1172","1178","10.1039/c6dt03952a","","","0.71073","MoKα","","0.0358","0.0257","","","0.0537","0.0564","","","","","","1.026","","","","has coordinates,has disorder","191608","2020-10-21","18:00:00",""
"7041549","11.4715","0.0002","11.6621","0.0002","21.5619","0.0005","90","","90","","90","","2884.59","0.1","100","","100.06","","","","","","","","","5","P n a 21","P 2c -2n","33","","MoO2(R-AMD)2 (AMD = N,N?-di-R-acetamidinate) R = cyclohexyl","","- C28 H50 Mo N4 O2 -","- C28 H50 Mo N4 O2 -","- C112 H200 Mo4 N16 O8 -","4","1","","Jurca, T.; Peters, A. W.; Mouat, A. R.; Farha, O. K.; Hupp, J. T.; Lohr, T. L.; Delferro, M.; Marks, T. J.","Second-generation hexavalent molybdenum oxo-amidinate precursors for atomic layer deposition.","Dalton transactions (Cambridge, England : 2003)","2017","46","4","1172","1178","10.1039/c6dt03952a","","","0.71073","MoKα","","0.0745","0.0491","","","0.1172","0.1336","","","","","","0.79","","","","has coordinates","191608","2020-10-21","18:00:00",""
"7041550","13.7177","0.0016","16.964","0.002","16.7166","0.0019","90","","90.896","0.007","90","","3889.6","0.8","100","","100","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","Ru2(ap)4ONO2","","- C44 H36 N9 O3 Ru2 -","- C44 H36 N9 O3 Ru2 -","- C176 H144 N36 O12 Ru8 -","4","1","","Corcos, Amanda R.; Berry, John F.","Anilinopyridinate-supported Ru2(x+) (x = 5 or 6) paddlewheel complexes with labile axial ligands.","Dalton transactions (Cambridge, England : 2003)","2017","46","17","5532","5539","10.1039/c6dt04328c","","x-ray","0.71073","MoKα","","0.0514","0.0354","","","0.083","0.0904","","","","","","1.042","","","","has coordinates,has disorder","196402","2020-10-21","18:00:00",""
"7041551","12.9901","0.0008","13.7169","0.0009","18.0952","0.0011","110.553","0.003","103.963","0.003","96.89","0.003","2854.5","0.3","100","2","100.1","0.2","","","","","","","","9","P -1","-P 1","2","","","","- C98 H80 Ag2 Cl8 F18 N16 O18 Ru4 S6 -","- C98 H80 Ag2 Cl8 F18 N16 O18 Ru4 S6 -","- C98 H80 Ag2 Cl8 F18 N16 O18 Ru4 S6 -","1","0.5","","Corcos, Amanda R.; Berry, John F.","Anilinopyridinate-supported Ru2(x+) (x = 5 or 6) paddlewheel complexes with labile axial ligands.","Dalton transactions (Cambridge, England : 2003)","2017","46","17","5532","5539","10.1039/c6dt04328c","","x-ray","1.54178","CuKα","","0.0436","0.041","","","0.1183","0.1199","","","","","","1.071","","","","has coordinates,has disorder","196402","2020-10-21","18:00:00",""
"7041552","10.0314","0.0003","13.5259","0.0004","18.1472","0.0005","100.493","0.0015","93.5825","0.0017","93.8681","0.0016","2408.56","0.12","100","","99.96","","","","","","","","","7","P -1","-P 1","2","","","","- C48 H43 B Cl4 F4 N9 Ru2 -","- C48 H43 B Cl4 F4 N9 Ru2 -","- C96 H86 B2 Cl8 F8 N18 Ru4 -","2","1","","Corcos, Amanda R.; Berry, John F.","Anilinopyridinate-supported Ru2(x+) (x = 5 or 6) paddlewheel complexes with labile axial ligands.","Dalton transactions (Cambridge, England : 2003)","2017","46","17","5532","5539","10.1039/c6dt04328c","","x-ray","0.71073","MoKα","","0.0931","0.0583","","","0.1407","0.1597","","","","","","1.028","","","","has coordinates,has disorder","196402","2020-10-21","18:00:00",""
"7041553","13.6942","0.0002","13.6942","0.0002","24.9354","0.0004","90","","90","","90","","4676.16","0.12","200","2","200.01","","","","","","","","","7","P 4/n c c","-P 4a 2ac","130","","","","- C49 H44 F3 N8 O4 Ru2 S -","- C45 H36 F3 N8 O3 Ru2 S -","- C180 H144 F12 N32 O12 Ru8 S4 -","4","","","Corcos, Amanda R.; Berry, John F.","Anilinopyridinate-supported Ru2(x+) (x = 5 or 6) paddlewheel complexes with labile axial ligands.","Dalton transactions (Cambridge, England : 2003)","2017","46","17","5532","5539","10.1039/c6dt04328c","","x-ray","0.71073","MoKα","","0.0431","0.0377","","","0.1866","0.1977","","","","","","1.083","","","","has coordinates,has disorder","196402","2020-10-21","18:00:00",""
"7041554","9.9326","0.0002","13.457","0.0003","19.0672","0.0004","74.8283","0.0011","79.4934","0.0012","87.8322","0.0011","2418.38","0.09","100","","100","","","","","","","","","7","P -1","-P 1","2","","","","- C52 H52 B F4 N8 O2 Ru2 -","- C44 H36 B F4 N8 Ru2 -","- C88 H72 B2 F8 N16 Ru4 -","2","1","","Corcos, Amanda R.; Berry, John F.","Anilinopyridinate-supported Ru2(x+) (x = 5 or 6) paddlewheel complexes with labile axial ligands.","Dalton transactions (Cambridge, England : 2003)","2017","46","17","5532","5539","10.1039/c6dt04328c","","x-ray","0.71073","MoKα","","0.0421","0.0301","","","0.07","0.0744","","","","","","1.03","","","","has coordinates","196402","2020-10-21","18:00:00",""
"7041555","16.74","0.003","11.664","0.002","12.351","0.002","90","","90","","90","","2411.6","0.7","98","2","98","2","","","","","","","","7","P n m a","-P 2ac 2n","62","","","","- C17 H27 Co N O12 P3 Ru -","- C17 H27 Co N O12 P3 Ru -","- C68 H108 Co4 N4 O48 P12 Ru4 -","4","0.5","","Krishnan, V. Mahesh; Arman, Hadi D.; Tonzetich, Zachary J.","Synthesis and characterisation of ruthenium-nitrosyl complexes in oxygen-rich ligand environments.","Dalton transactions (Cambridge, England : 2003)","2017","46","4","1186","1193","10.1039/c6dt04717c","","","0.71073","MoKα","","0.0493","0.0454","","","0.1228","0.1264","","","","","","1.013","","","","has coordinates","191614","2020-10-21","18:00:00",""
"7041556","20.084","0.003","12.6011","0.0017","16.863","0.002","90","","93.902","0.002","90","","4257.8","1","298","","298","","","","","","","","","9","C 1 c 1","C -2yc","9","","","","- C22 H44 Co F6 N3 O18 P3 Ru S2 -","- C22 H44 Co F6 N3 O18 P3 Ru S2 -","- C88 H176 Co4 F24 N12 O72 P12 Ru4 S8 -","4","1","","Krishnan, V. Mahesh; Arman, Hadi D.; Tonzetich, Zachary J.","Synthesis and characterisation of ruthenium-nitrosyl complexes in oxygen-rich ligand environments.","Dalton transactions (Cambridge, England : 2003)","2017","46","4","1186","1193","10.1039/c6dt04717c","","","0.71073","MoKα","","0.0493","0.0485","","","0.1222","0.1236","","","","","","1","","","","has coordinates","191614","2020-10-21","18:00:00",""
"7041557","10.4496","0.0016","11.5244","0.0017","22.855","0.004","90","","97.413","0.003","90","","2729.3","0.8","98","","98","","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C21 H29 Co N O12 P3 Ru -","- C21 H29 Co N O12 P3 Ru -","- C84 H116 Co4 N4 O48 P12 Ru4 -","4","1","","Krishnan, V. Mahesh; Arman, Hadi D.; Tonzetich, Zachary J.","Synthesis and characterisation of ruthenium-nitrosyl complexes in oxygen-rich ligand environments.","Dalton transactions (Cambridge, England : 2003)","2017","46","4","1186","1193","10.1039/c6dt04717c","","","0.71075","MoKα","","0.0515","0.0478","","","0.1212","0.1258","","","","","","1.058","","","","has coordinates","191614","2020-10-21","18:00:00",""
"7041558","24.071","0.003","14.2382","0.0017","17.677","0.002","90","","90","","90","","6058.4","1.3","98","","98","","","","","","","","","8","P c a 21","P 2c -2ac","29","","","","- C17 H23 Br4 Co N O12 P3 Ru -","- C17 H23 Br4 Co N O12 P3 Ru -","- C136 H184 Br32 Co8 N8 O96 P24 Ru8 -","8","2","","Krishnan, V. Mahesh; Arman, Hadi D.; Tonzetich, Zachary J.","Synthesis and characterisation of ruthenium-nitrosyl complexes in oxygen-rich ligand environments.","Dalton transactions (Cambridge, England : 2003)","2017","46","4","1186","1193","10.1039/c6dt04717c","","","0.71075","MoKα","","0.0397","0.0308","","","0.0557","0.0577","","","","","","1.06","","","","has coordinates","191614","2020-10-21","18:00:00",""
"7041559","16.17","0.003","17.167","0.003","24.094","0.004","90","","90","","90","","6688","2","98","","98","","","","","","","","","7","P b c a","-P 2ac 2ab","61","","","","- C25 H43 Co N O12 P3 Ru -","- C25 H43 Co N O12 P3 Ru -","- C200 H344 Co8 N8 O96 P24 Ru8 -","8","1","","Krishnan, V. Mahesh; Arman, Hadi D.; Tonzetich, Zachary J.","Synthesis and characterisation of ruthenium-nitrosyl complexes in oxygen-rich ligand environments.","Dalton transactions (Cambridge, England : 2003)","2017","46","4","1186","1193","10.1039/c6dt04717c","","","0.71075","MoKα","","0.0497","0.0432","","","0.1091","0.1138","","","","","","1.047","","","","has coordinates","191614","2020-10-21","18:00:00",""
"7041560","16.829","0.0003","15.4443","0.0002","20.1752","0.0003","90","","99.8178","0.0015","90","","5166.98","0.14","173","2","173.15","","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C53 H84 Eu2 Si2 -","- C53 H84 Eu2 Si2 -","- C212 H336 Eu8 Si8 -","4","1","","Kilpatrick, Alexander F. R.; Cloke, F Geoffrey N","A base-free synthetic route to anti-bimetallic lanthanide pentalene complexes.","Dalton transactions (Cambridge, England : 2003)","2017","46","17","5587","5597","10.1039/c6dt04475a","","","1.54184","CuKα","","0.0575","0.0532","","","0.1262","0.1308","","","","","","1.072","","","","has coordinates","196397","2020-10-21","18:00:00",""
"7041561","12.66","0.003","28.204","0.006","13.915","0.003","90","","103.12","0.03","90","","4839","2","173","2","173.15","","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","[Cp*Yb(OEt2)3][B(C6F5)4]","","- C46 H45 B F20 O3 Yb -","- C46 H45 B F20 O3 Yb -","- C184 H180 B4 F80 O12 Yb4 -","4","1","","Kilpatrick, Alexander F. R.; Cloke, F Geoffrey N","A base-free synthetic route to anti-bimetallic lanthanide pentalene complexes.","Dalton transactions (Cambridge, England : 2003)","2017","46","17","5587","5597","10.1039/c6dt04475a","","","0.71073","MoKα","","0.093","0.047","","","0.0795","0.0921","","","","","","1.028","","","","has coordinates","196397","2020-10-21","18:00:00",""
"7041562","8.3909","0.001","11.424","0.0015","24.064","0.003","94.072","0.007","94.267","0.007","92.703","0.007","2291.3","0.5","100","2","100.15","","","","","","","","","4","P -1","-P 1","2","","[Cp*Sm]2(μ:η5,η5-Pn?)","","- C46 H76 Si2 Sm2 -","- C46 H76 Si2 Sm2 -","- C92 H152 Si4 Sm4 -","2","1","","Kilpatrick, Alexander F. R.; Cloke, F Geoffrey N","A base-free synthetic route to anti-bimetallic lanthanide pentalene complexes.","Dalton transactions (Cambridge, England : 2003)","2017","46","17","5587","5597","10.1039/c6dt04475a","","","0.71073","MoKα","","0.1183","0.0699","","","0.1305","0.1492","","","","","","1.049","","","","has coordinates","196397","2020-10-21","18:00:00",""
"7041563","13.133","0.003","17.767","0.004","13.725","0.003","90","","114.1","0.03","90","","2923.4","1.3","173","2","173.15","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","[Cp*Yb]2(μ:η5,η5-Pn?)","","- C54 H100 Si4 Yb2 -","- C54 H100 Si4 Yb2 -","- C108 H200 Si8 Yb4 -","2","0.5","","Kilpatrick, Alexander F. R.; Cloke, F Geoffrey N","A base-free synthetic route to anti-bimetallic lanthanide pentalene complexes.","Dalton transactions (Cambridge, England : 2003)","2017","46","17","5587","5597","10.1039/c6dt04475a","","","0.71073","MoKα","","0.0909","0.0464","","","0.0814","0.0952","","","","","","1.015","","","","has coordinates","196397","2020-10-21","18:00:00",""
"7041564","8.4417","0.0005","10.097","0.0008","19.1575","0.0013","103.765","0.002","94.754","0.002","101.537","0.002","1539.29","0.19","173","2","173","2","","","","","","","","6","P -1","-P 1","2","","","","- C28 H28 Cl2 N4 O12 Zn -","- C28 H28 Cl2 N4 O12 Zn -","- C56 H56 Cl4 N8 O24 Zn2 -","2","1","","Dong, Yu-Wei; Fan, Rui-Qing; Chen, Wei; Zhang, Hui-Jie; Song, Yang; Du, Xi; Wang, Ping; Wei, Li-Guo; Yang, Yu-Lin","Different conjugated system Zn(ii) Schiff base complexes: supramolecular structure, luminescent properties, and applications in the PMMA-doped hybrid materials.","Dalton transactions (Cambridge, England : 2003)","2017","46","4","1266","1276","10.1039/c6dt04159k","","","0.71073","MoKα","","0.1175","0.0731","","","0.1935","0.2164","","","","","","1.073","","","","has coordinates","191612","2020-10-21","18:00:00",""
"7041565","8.4734","0.0005","9.7404","0.0005","12.535","0.0006","82.088","0.004","72.926","0.005","78.764","0.005","966.44","0.09","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C22 H16 Cl2 N2 Zn -","- C22 H16 Cl2 N2 Zn -","- C44 H32 Cl4 N4 Zn2 -","2","1","","Dong, Yu-Wei; Fan, Rui-Qing; Chen, Wei; Zhang, Hui-Jie; Song, Yang; Du, Xi; Wang, Ping; Wei, Li-Guo; Yang, Yu-Lin","Different conjugated system Zn(ii) Schiff base complexes: supramolecular structure, luminescent properties, and applications in the PMMA-doped hybrid materials.","Dalton transactions (Cambridge, England : 2003)","2017","46","4","1266","1276","10.1039/c6dt04159k","","","0.71073","MoKα","","0.0884","0.0505","","","0.0775","0.0882","","","","","","0.917","","","","has coordinates","191612","2020-10-21","18:00:00",""
"7041566","11.952","0.007","9.847","0.008","14.876","0.006","90","","127.535","0.019","90","","1388.3","1.5","153","2","153","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C13 H12 Cl2 N2 Zn -","- C13 H12 Cl2 N2 Zn -","- C52 H48 Cl8 N8 Zn4 -","4","1","","Dong, Yu-Wei; Fan, Rui-Qing; Chen, Wei; Zhang, Hui-Jie; Song, Yang; Du, Xi; Wang, Ping; Wei, Li-Guo; Yang, Yu-Lin","Different conjugated system Zn(ii) Schiff base complexes: supramolecular structure, luminescent properties, and applications in the PMMA-doped hybrid materials.","Dalton transactions (Cambridge, England : 2003)","2017","46","4","1266","1276","10.1039/c6dt04159k","","","0.71073","MoKα","","0.1134","0.0635","","","0.1528","0.1771","","","","","","1.065","","","","has coordinates","191612","2020-10-21","18:00:00",""
"7041567","15.062","0.002","12.7531","0.0019","15.887","0.002","90","","118.539","0.011","90","","2680.9","0.7","299","2","299","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C22 H22 Cl4 N4 O2 Zn2 -","- C22 H22 Cl4 N4 O2 Zn2 -","- C88 H88 Cl16 N16 O8 Zn8 -","4","1","","Dong, Yu-Wei; Fan, Rui-Qing; Chen, Wei; Zhang, Hui-Jie; Song, Yang; Du, Xi; Wang, Ping; Wei, Li-Guo; Yang, Yu-Lin","Different conjugated system Zn(ii) Schiff base complexes: supramolecular structure, luminescent properties, and applications in the PMMA-doped hybrid materials.","Dalton transactions (Cambridge, England : 2003)","2017","46","4","1266","1276","10.1039/c6dt04159k","","","0.71073","MoKα","","0.145","0.048","","","0.1166","0.1692","","","","","","0.795","","","","has coordinates","191612","2020-10-21","18:00:00",""
"7041568","9.401","0.0019","7.409","0.0015","20.197","0.004","90","","98.51","0.03","90","","1391.3","0.5","293","2","293","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C24 H18 Cl4 N6 O4 Zn2 -","- C24 H18 Cl4 N6 O4 Zn2 -","- C48 H36 Cl8 N12 O8 Zn4 -","2","0.5","","Dong, Yu-Wei; Fan, Rui-Qing; Chen, Wei; Zhang, Hui-Jie; Song, Yang; Du, Xi; Wang, Ping; Wei, Li-Guo; Yang, Yu-Lin","Different conjugated system Zn(ii) Schiff base complexes: supramolecular structure, luminescent properties, and applications in the PMMA-doped hybrid materials.","Dalton transactions (Cambridge, England : 2003)","2017","46","4","1266","1276","10.1039/c6dt04159k","","","0.71073","MoKα","","0.036","0.0283","","","0.0662","0.0688","","","","","","1.017","","","","has coordinates","191612","2020-10-21","18:00:00",""
"7041569","32.482","0.007","18.934","0.004","20.601","0.004","90","","113.67","0.03","90","","11604","5","293","2","293","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C37 H43 Mn2 Mo N17 O8.5 -","- C37 H43 Mn2 Mo N17 O8.5 -","- C296 H344 Mn16 Mo8 N136 O68 -","8","1","","Wang, Kai; Xia, Bin; Wang, Qing-Lun; Ma, Yue; Liao, Dai-Zheng; Tang, Jinkui","Slow magnetic relaxation based on the anisotropic Ising-type magnetic coupling between the Mo(III) and Mn(II) centers.","Dalton transactions (Cambridge, England : 2003)","2017","46","4","1042","1046","10.1039/c6dt03676g","","","0.71073","MoKα","","0.1033","0.0884","","","0.2674","0.2859","","","","","","1.123","","","","has coordinates","191601","2020-10-21","18:00:00",""
"7041570","36.627","0.007","14.165","0.003","21.29","0.004","90","","97.18","0.03","90","","10959","4","293","2","293","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C37 H47 Mn2 Mo N17 O9.25 -","- C37 H47 Mn2 Mo N17 O9.25 -","- C296 H376 Mn16 Mo8 N136 O74 -","8","1","","Wang, Kai; Xia, Bin; Wang, Qing-Lun; Ma, Yue; Liao, Dai-Zheng; Tang, Jinkui","Slow magnetic relaxation based on the anisotropic Ising-type magnetic coupling between the Mo(III) and Mn(II) centers.","Dalton transactions (Cambridge, England : 2003)","2017","46","4","1042","1046","10.1039/c6dt03676g","","","0.71073","MoKα","","0.0974","0.0795","","","0.2368","0.2541","","","","","","1.084","","","","has coordinates","191601","2020-10-21","18:00:00",""
"7041571","28.968","0.006","19.02","0.004","20.323","0.004","90","","97.67","0.03","90","","11097","4","293","2","293","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C74 H90 Mn4 Mo2 N34 O25 -","- C74 H90 Mn4 Mo2 N34 O25 -","- C296 H360 Mn16 Mo8 N136 O100 -","4","1","","Wang, Kai; Xia, Bin; Wang, Qing-Lun; Ma, Yue; Liao, Dai-Zheng; Tang, Jinkui","Slow magnetic relaxation based on the anisotropic Ising-type magnetic coupling between the Mo(III) and Mn(II) centers.","Dalton transactions (Cambridge, England : 2003)","2017","46","4","1042","1046","10.1039/c6dt03676g","","","0.71073","MoKα","","0.1252","0.1017","","","0.2652","0.2881","","","","","","1.107","","","","has coordinates","191601","2020-10-21","18:00:00",""
"7041572","9.5888","0.0003","9.5888","0.0003","9.5942","0.0003","90","","90","","120","","763.96","0.04","293","","293","","","","","","","","","3","P 63/m m c","-P 6c 2c","194","","","","- Al3 Ru Y10 -","- Al3 Ru Y10 -","- Al6 Ru2 Y20 -","2","0.0833333","","Benndorf, Christopher; Eckert, Hellmut; Janka, Oliver","Ternary rare-earth aluminium intermetallics RE10TAl3 (RE = Y, Ho, Tm, Lu; T = Fe, Co, Ni, Ru, Rh, Pd, Os, Ir, Pt) with an ordered anti-Co2Al5 structure.","Dalton transactions (Cambridge, England : 2003)","2017","46","4","1083","1092","10.1039/c6dt04314c","","x-ray","0.71073","MoKα","","0.0568","0.0336","","","0.0672","0.073","","","","1.65","1.65","1.5","","","","has coordinates","191610","2020-10-21","18:00:00",""
"7041573","9.2985","0.0004","9.2985","0.0004","9.2702","0.0004","90","","90","","120","","694.14","0.05","293","","293","","","","","","","","","3","P 63/m m c","-P 6c 2c","194","","","","- Al2.72 Lu10 Ni1.28 -","- Al2.76 Lu10 Ni1.24 -","- Al5.52 Lu20 Ni2.48 -","2","0.0833333","","Benndorf, Christopher; Eckert, Hellmut; Janka, Oliver","Ternary rare-earth aluminium intermetallics RE10TAl3 (RE = Y, Ho, Tm, Lu; T = Fe, Co, Ni, Ru, Rh, Pd, Os, Ir, Pt) with an ordered anti-Co2Al5 structure.","Dalton transactions (Cambridge, England : 2003)","2017","46","4","1083","1092","10.1039/c6dt04314c","","x-ray","0.71073","MoKα","","0.0371","0.0245","","","0.0495","0.0516","","","","1.62","1.62","1.52","","","","has coordinates","191610","2020-10-21","18:00:00",""
"7041574","7.3858","0.0004","7.9511","0.0004","9.9894","0.0005","75.7","0.002","78.644","0.002","84.546","0.002","556.66","0.05","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C24 H16 Cu N6 O10 -","- C24 H16 Cu N6 O10 -","- C24 H16 Cu N6 O10 -","1","0.5","","Raj, Pushap; Singh, Amanpreet; Singh, Ajnesh; Singh, Narinder","Syntheses, crystal structures and photophysical properties of Cu(ii) complexes: fine tuning of a coordination sphere for selective binding of azamethiphos.","Dalton transactions (Cambridge, England : 2003)","2017","46","3","985","994","10.1039/c6dt04039j","","","0.71073","MoKα","","0.0557","0.0386","","","0.0814","0.0871","","","","","","1.046","","","","has coordinates","191650","2020-10-21","18:00:00",""
"7041575","27.0677","0.0013","7.5081","0.0003","16.0875","0.0008","90","","90","","90","","3269.4","0.3","298","2","298","2","","","","","","","","5","P b c n","-P 2n 2ab","60","","","","- C36 H24 Cu N6 O10 -","- C36 H24 Cu N6 O10 -","- C144 H96 Cu4 N24 O40 -","4","0.5","","Raj, Pushap; Singh, Amanpreet; Singh, Ajnesh; Singh, Narinder","Syntheses, crystal structures and photophysical properties of Cu(ii) complexes: fine tuning of a coordination sphere for selective binding of azamethiphos.","Dalton transactions (Cambridge, England : 2003)","2017","46","3","985","994","10.1039/c6dt04039j","","","0.71073","MoKα","","0.0612","0.0374","","","0.0905","0.0984","","","","","","0.979","","","","has coordinates","191650","2020-10-21","18:00:00",""
"7041576","21.6421","0.0017","21.6421","0.0017","19.6862","0.0017","90","","90","","90","","9220.6","1.3","173","2","173","2","","","","","","","","6","P -4 n 2","P -4 -2n","118","","","","- C36 H140 N18 O103 S16 Y16 -","- C32 H96 N8 O85 S16 Y16 -","- C64 H192 N16 O170 S32 Y32 -","2","0.25","","Marsh, David A.; Goberna-Ferrón, Sara; Baumeister, Mary K.; Zakharov, Lev N.; Nyman, May; Johnson, Darren W.","Ln polyoxocations: yttrium oxide solution speciation & solution deposited thin films.","Dalton transactions (Cambridge, England : 2003)","2017","46","3","947","955","10.1039/c6dt03733j","","","0.71073","MoKα","","0.1954","0.1299","","","0.3596","0.4274","","","","","","1.088","","","","has coordinates,has disorder","191651","2020-10-21","18:00:00",""
"7041577","21.6421","0.0017","21.6421","0.0017","19.6862","0.0017","90","","90","","90","","9220.6","1.3","173","2","173.15","","","","","","","","","6","P -4 n 2","P -4 -2n","118","","","","- C52 H156 N8 O79 S26 Y16 -","- C52 H156 N8 O79 S26 Y16 -","- C104 H312 N16 O158 S52 Y32 -","2","0.25","","Marsh, David A.; Goberna-Ferrón, Sara; Baumeister, Mary K.; Zakharov, Lev N.; Nyman, May; Johnson, Darren W.","Ln polyoxocations: yttrium oxide solution speciation & solution deposited thin films.","Dalton transactions (Cambridge, England : 2003)","2017","46","3","947","955","10.1039/c6dt03733j","","","0.71073","MoKα","","0.1448","0.078","","","0.1947","0.2375","","","","","","1.019","","","","has coordinates,has disorder","191651","2020-10-21","18:00:00",""
"7041578","10.465","0.006","13.832","0.007","14.762","0.008","68.793","0.009","88.158","0.011","68.409","0.009","1839.7","1.7","296","2","296.15","","","","","","","","","6","P -1","-P 1","2","","","","- C54 H88 Dy4 N6 O23 S2 -","- C54 H76 Dy4 N6 O23 S2 -","- C54 H76 Dy4 N6 O23 S2 -","1","0.5","","Wu, Jianfeng; Lin, Shuang-Yan; Shen, Si; Li, Xiao-Lei; Zhao, Lang; Zhang, Li; Tang, Jinkui","Probing the magnetic relaxation and magnetic moment arrangement in a series of Dy4 squares.","Dalton transactions (Cambridge, England : 2003)","2017","46","5","1577","1584","10.1039/c6dt04456e","","","0.71073","MoKα","","0.049","0.0393","","","0.1138","0.1214","","","","","","1.084","","","","has coordinates","191662","2020-10-21","18:00:00",""
"7041579","10.1501","0.0006","12.5967","0.0008","13.2679","0.0008","87.25","0.001","82.057","0.001","68.609","0.001","1564.38","0.17","273","2","273.15","","","","","","","","","6","P -1","-P 1","2","","","","- C52 H68 Dy4 N6 O23 S2 -","- C52 H68 Dy4 N6 O23 S2 -","- C52 H68 Dy4 N6 O23 S2 -","1","0.5","","Wu, Jianfeng; Lin, Shuang-Yan; Shen, Si; Li, Xiao-Lei; Zhao, Lang; Zhang, Li; Tang, Jinkui","Probing the magnetic relaxation and magnetic moment arrangement in a series of Dy4 squares.","Dalton transactions (Cambridge, England : 2003)","2017","46","5","1577","1584","10.1039/c6dt04456e","","","0.71073","MoKα","","0.0557","0.0445","","","0.1205","0.1375","","","","","","1.105","","","","has coordinates","191662","2020-10-21","18:00:00",""
"7041580","27.3361","0.0009","26.2199","0.0009","22.9128","0.0008","90","","92.223","0.001","90","","16410.4","1","273","2","273.15","","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C49 H74.5 Dy4 N5.5 O28 -","- C49 H63 Dy4 N5.5 O28 -","- C392 H504 Dy32 N44 O224 -","8","1","","Wu, Jianfeng; Lin, Shuang-Yan; Shen, Si; Li, Xiao-Lei; Zhao, Lang; Zhang, Li; Tang, Jinkui","Probing the magnetic relaxation and magnetic moment arrangement in a series of Dy4 squares.","Dalton transactions (Cambridge, England : 2003)","2017","46","5","1577","1584","10.1039/c6dt04456e","","","0.71073","MoKα","","0.07","0.0432","","","0.119","0.1355","","","","","","1.039","","","","has coordinates","191662","2020-10-21","18:00:00",""
"7041581","14.0097","0.0004","14.0814","0.0003","18.9263","0.0006","90","","108.984","0.003","90","","3530.63","0.18","173","2","173","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C12 H24 Cl Cu N4 S2 -","- C12 H24 Cl Cu N4 S2 -","- C96 H192 Cl8 Cu8 N32 S16 -","8","2","","Aulakh, Jaspreet K.; Lobana, Tarlok S.; Sood, Henna; Arora, Daljit S.; Garcia-Santos, Isabel; Hundal, Geeta; Kaur, Manpreet; Smolenski, Victoria A.; Jasinski, Jerry P.","Variable coordination and C-S bond cleavage activity of N-substituted imidazolidine-2-thiones towards copper: synthesis, spectroscopy, structures, ESI-mass and antimicrobial studies.","Dalton transactions (Cambridge, England : 2003)","2017","46","4","1324","1339","10.1039/c6dt04103e","","x-ray","0.71073","MoKα","","0.0747","0.0425","","","0.0927","0.109","","","","","","1.032","","","","has coordinates","191616","2020-10-21","18:00:00",""
"7041582","17.5632","0.0007","17.5632","0.0007","17.7092","0.0009","90","","90","","120","","4730.8","0.4","173","2","173","2","","","","","","","","6","R -3","-R 3","148","","","","- C42 H79.76 Cl6 Cu6 N12 S6 -","- C42 H79.764 Cl6 Cu6 N12 S6 -","- C126 H239.292 Cl18 Cu18 N36 S18 -","3","","","Aulakh, Jaspreet K.; Lobana, Tarlok S.; Sood, Henna; Arora, Daljit S.; Garcia-Santos, Isabel; Hundal, Geeta; Kaur, Manpreet; Smolenski, Victoria A.; Jasinski, Jerry P.","Variable coordination and C-S bond cleavage activity of N-substituted imidazolidine-2-thiones towards copper: synthesis, spectroscopy, structures, ESI-mass and antimicrobial studies.","Dalton transactions (Cambridge, England : 2003)","2017","46","4","1324","1339","10.1039/c6dt04103e","","x-ray","1.54184","CuKα","","0.0548","0.0513","","","0.1342","0.1382","","","","","","1.084","","","","has coordinates,has disorder","191616","2020-10-21","18:00:00",""
"7041583","7.4901","0.0004","10.3906","0.0004","14.1896","0.0008","102.429","0.004","100.467","0.005","100.84","0.004","1030.4","0.1","173","2","173","2","","","","","","","","6","P -1","-P 1","2","","","","- C14 H28 Cu I N4 S2 -","- C14 H28 Cu I N4 S2 -","- C28 H56 Cu2 I2 N8 S4 -","2","1","","Aulakh, Jaspreet K.; Lobana, Tarlok S.; Sood, Henna; Arora, Daljit S.; Garcia-Santos, Isabel; Hundal, Geeta; Kaur, Manpreet; Smolenski, Victoria A.; Jasinski, Jerry P.","Variable coordination and C-S bond cleavage activity of N-substituted imidazolidine-2-thiones towards copper: synthesis, spectroscopy, structures, ESI-mass and antimicrobial studies.","Dalton transactions (Cambridge, England : 2003)","2017","46","4","1324","1339","10.1039/c6dt04103e","","x-ray","0.71073","MoKα","","0.0698","0.0421","","","0.0845","0.0983","","","","","","1.006","","","","has coordinates","191616","2020-10-21","18:00:00",""
"7041584","9.573","0.004","10.198","0.005","16.821","0.008","100.18","0.02","99.48","0.03","98.79","0.03","1566","1.3","100","2","100","2","","","","","","","","6","P -1","-P 1","2","","","","- C54 H60 Cu4 I4 N12 S6 -","- C54 H60 Cu4 I4 N12 S6 -","- C54 H60 Cu4 I4 N12 S6 -","1","0.5","","Aulakh, Jaspreet K.; Lobana, Tarlok S.; Sood, Henna; Arora, Daljit S.; Garcia-Santos, Isabel; Hundal, Geeta; Kaur, Manpreet; Smolenski, Victoria A.; Jasinski, Jerry P.","Variable coordination and C-S bond cleavage activity of N-substituted imidazolidine-2-thiones towards copper: synthesis, spectroscopy, structures, ESI-mass and antimicrobial studies.","Dalton transactions (Cambridge, England : 2003)","2017","46","4","1324","1339","10.1039/c6dt04103e","","","0.71073","MoKα","","0.1072","0.0744","","","0.2153","0.2751","","","","","","1.198","","","","has coordinates","191616","2020-10-21","18:00:00",""
"7041585","8.6359","0.0007","7.3154","0.0005","26.753","0.0018","90","","95.591","0.003","90","","1682.1","0.2","296","2","296","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C10 H20 Cu I N4 S2 -","- C10 H20 Cu I N4 S2 -","- C40 H80 Cu4 I4 N16 S8 -","4","1","","Aulakh, Jaspreet K.; Lobana, Tarlok S.; Sood, Henna; Arora, Daljit S.; Garcia-Santos, Isabel; Hundal, Geeta; Kaur, Manpreet; Smolenski, Victoria A.; Jasinski, Jerry P.","Variable coordination and C-S bond cleavage activity of N-substituted imidazolidine-2-thiones towards copper: synthesis, spectroscopy, structures, ESI-mass and antimicrobial studies.","Dalton transactions (Cambridge, England : 2003)","2017","46","4","1324","1339","10.1039/c6dt04103e","","","0.71073","MoKα","","0.0606","0.0377","","","0.083","0.0927","","","","","","1.112","","","","has coordinates","191616","2020-10-21","18:00:00",""
"7041586","13.5161","0.0005","10.4367","0.0005","28.1083","0.0014","90","","92.378","0.005","90","","3961.6","0.3","173","2","173","2","","","","","","","","6","I 1 2/c 1","-I 2yc","15","","","","- C18 H20 Cl Cu N4 S2 -","- C18 H20 Cl Cu N4 S2 -","- C144 H160 Cl8 Cu8 N32 S16 -","8","1","","Aulakh, Jaspreet K.; Lobana, Tarlok S.; Sood, Henna; Arora, Daljit S.; Garcia-Santos, Isabel; Hundal, Geeta; Kaur, Manpreet; Smolenski, Victoria A.; Jasinski, Jerry P.","Variable coordination and C-S bond cleavage activity of N-substituted imidazolidine-2-thiones towards copper: synthesis, spectroscopy, structures, ESI-mass and antimicrobial studies.","Dalton transactions (Cambridge, England : 2003)","2017","46","4","1324","1339","10.1039/c6dt04103e","","x-ray","0.71073","MoKα","","0.0759","0.0429","","","0.0977","0.1181","","","","","","1.046","","","","has coordinates","191616","2020-10-21","18:00:00",""
"7041587","12.9744","0.0016","7.6298","0.001","14.1661","0.0016","90","","105.936","0.013","90","","1348.4","0.3","173","2","173","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C8 H16 Cl Cu N4 S2 -","- C8 H16 Cl Cu N4 S2 -","- C32 H64 Cl4 Cu4 N16 S8 -","4","0.5","","Aulakh, Jaspreet K.; Lobana, Tarlok S.; Sood, Henna; Arora, Daljit S.; Garcia-Santos, Isabel; Hundal, Geeta; Kaur, Manpreet; Smolenski, Victoria A.; Jasinski, Jerry P.","Variable coordination and C-S bond cleavage activity of N-substituted imidazolidine-2-thiones towards copper: synthesis, spectroscopy, structures, ESI-mass and antimicrobial studies.","Dalton transactions (Cambridge, England : 2003)","2017","46","4","1324","1339","10.1039/c6dt04103e","","x-ray","0.71073","MoKα","","0.0608","0.0489","","","0.1182","0.1303","","","","","","1.06","","","","has coordinates","191616","2020-10-21","18:00:00",""
"7041588","8.069","0.0004","9.9078","0.0006","13.1167","0.0008","99.126","0.005","102.165","0.005","111.425","0.005","921.71","0.11","173","2","173","2","","","","","","","","6","P -1","-P 1","2","","","","- C20 H36 Cu5 I6 N8 S2 -","- C20 H36 Cu5 I6 N8 S2 -","- C20 H36 Cu5 I6 N8 S2 -","1","0.5","","Aulakh, Jaspreet K.; Lobana, Tarlok S.; Sood, Henna; Arora, Daljit S.; Garcia-Santos, Isabel; Hundal, Geeta; Kaur, Manpreet; Smolenski, Victoria A.; Jasinski, Jerry P.","Variable coordination and C-S bond cleavage activity of N-substituted imidazolidine-2-thiones towards copper: synthesis, spectroscopy, structures, ESI-mass and antimicrobial studies.","Dalton transactions (Cambridge, England : 2003)","2017","46","4","1324","1339","10.1039/c6dt04103e","","","0.71073","MoKα","","0.0616","0.0463","","","0.1075","0.1201","","","","","","1.073","","","","has coordinates","191616","2020-10-21","18:00:00",""
"7041589","15.6581","0.0017","12.6438","0.0015","19.708","0.002","90","","94.694","0.004","90","","3888.7","0.7","100","2","100","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C36 H40 Br2 Cu2 N8 S4 -","- C36 H40 Br2 Cu2 N8 S4 -","- C144 H160 Br8 Cu8 N32 S16 -","4","0.5","","Aulakh, Jaspreet K.; Lobana, Tarlok S.; Sood, Henna; Arora, Daljit S.; Garcia-Santos, Isabel; Hundal, Geeta; Kaur, Manpreet; Smolenski, Victoria A.; Jasinski, Jerry P.","Variable coordination and C-S bond cleavage activity of N-substituted imidazolidine-2-thiones towards copper: synthesis, spectroscopy, structures, ESI-mass and antimicrobial studies.","Dalton transactions (Cambridge, England : 2003)","2017","46","4","1324","1339","10.1039/c6dt04103e","","","0.71073","MoKα","","0.0447","0.034","","","0.0853","0.0907","","","","","","1.051","","","","has coordinates","191616","2020-10-21","18:00:00",""
"7041590","15.6938","0.0009","12.7042","0.0006","11.1498","0.0006","90","","95.604","0.005","90","","2212.4","0.2","173","2","173","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C9 H10 Cu I N2 S -","- C9 H10 Cu I N2 S -","- C72 H80 Cu8 I8 N16 S8 -","8","1","","Aulakh, Jaspreet K.; Lobana, Tarlok S.; Sood, Henna; Arora, Daljit S.; Garcia-Santos, Isabel; Hundal, Geeta; Kaur, Manpreet; Smolenski, Victoria A.; Jasinski, Jerry P.","Variable coordination and C-S bond cleavage activity of N-substituted imidazolidine-2-thiones towards copper: synthesis, spectroscopy, structures, ESI-mass and antimicrobial studies.","Dalton transactions (Cambridge, England : 2003)","2017","46","4","1324","1339","10.1039/c6dt04103e","","x-ray","0.71073","MoKα","","0.0706","0.0572","","","0.1394","0.1555","","","","","","1.058","","","","has coordinates","191616","2020-10-21","18:00:00",""
"7041591","13.2573","0.0009","7.4836","0.0005","14.3879","0.001","90","","107.33","0.007","90","","1362.66","0.17","173","2","173","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C8 H16 Br Cu N4 S2 -","- C8 H16 Br Cu N4 S2 -","- C32 H64 Br4 Cu4 N16 S8 -","4","0.5","","Aulakh, Jaspreet K.; Lobana, Tarlok S.; Sood, Henna; Arora, Daljit S.; Garcia-Santos, Isabel; Hundal, Geeta; Kaur, Manpreet; Smolenski, Victoria A.; Jasinski, Jerry P.","Variable coordination and C-S bond cleavage activity of N-substituted imidazolidine-2-thiones towards copper: synthesis, spectroscopy, structures, ESI-mass and antimicrobial studies.","Dalton transactions (Cambridge, England : 2003)","2017","46","4","1324","1339","10.1039/c6dt04103e","","x-ray","1.54184","CuKα","","0.0585","0.0562","","","0.1554","0.1583","","","","","","1.069","","","","has coordinates","191616","2020-10-21","18:00:00",""
"7041592","13.71","0.003","7.422","0.004","14.723","0.002","90","","109.448","0.005","90","","1412.7","0.8","100","2","100","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C8 H16 Cu I N4 S2 -","- C8 H16 Cu I N4 S2 -","- C32 H64 Cu4 I4 N16 S8 -","4","0.5","","Aulakh, Jaspreet K.; Lobana, Tarlok S.; Sood, Henna; Arora, Daljit S.; Garcia-Santos, Isabel; Hundal, Geeta; Kaur, Manpreet; Smolenski, Victoria A.; Jasinski, Jerry P.","Variable coordination and C-S bond cleavage activity of N-substituted imidazolidine-2-thiones towards copper: synthesis, spectroscopy, structures, ESI-mass and antimicrobial studies.","Dalton transactions (Cambridge, England : 2003)","2017","46","4","1324","1339","10.1039/c6dt04103e","","","0.71073","MoKα","","0.0283","0.0242","","","0.0613","0.0647","","","","","","0.971","","","","has coordinates","191616","2020-10-21","18:00:00",""
"7041593","7.3515","0.0004","10.0895","0.0005","14.3386","0.0006","102.109","0.004","101.93","0.004","100.673","0.004","987.95","0.09","173","2","173","2","","","","","","","","6","P -1","-P 1","2","","JPL-212","","- C14 H28 Br Cu N4 S2 -","- C14 H28 Br Cu N4 S2 -","- C28 H56 Br2 Cu2 N8 S4 -","2","1","","Aulakh, Jaspreet K.; Lobana, Tarlok S.; Sood, Henna; Arora, Daljit S.; Garcia-Santos, Isabel; Hundal, Geeta; Kaur, Manpreet; Smolenski, Victoria A.; Jasinski, Jerry P.","Variable coordination and C-S bond cleavage activity of N-substituted imidazolidine-2-thiones towards copper: synthesis, spectroscopy, structures, ESI-mass and antimicrobial studies.","Dalton transactions (Cambridge, England : 2003)","2017","46","4","1324","1339","10.1039/c6dt04103e","","","1.54184","CuKα","","0.0417","0.0355","","","0.0926","0.0979","","","","","","1.044","","","","has coordinates","191616","2020-10-21","18:00:00",""
"7041594","11.3145","0.0004","10.5385","0.0003","9.4292","0.0003","90","","103.942","0.001","90","","1091.2","0.06","296","2","296","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C10 H7 Cl Cu2 N6 -","- C10 H7 Cl Cu2 N6 -","- C40 H28 Cl4 Cu8 N24 -","4","1","","Tang, Qiuling; Zhou, Jian; Almeida Paz, Filipe A.; Fu, Lianshe; Xiao, Hong; Zhou, Qi; Li, Ju","A novel 3-D photoluminescent cuprous chloride polymer based on bifunctional imidazolate/tetrazolate bridges.","Dalton transactions (Cambridge, England : 2003)","2017","46","5","1372","1376","10.1039/c6dt04673h","","","0.71073","MoKα","","0.0314","0.0285","","","0.081","0.0841","","","","","","1.065","","","","has coordinates","191658","2020-10-21","18:00:00",""
"7041595","9.166","0.0005","16.3269","0.0008","9.5017","0.0005","90","","115.576","0.003","90","","1282.62","0.12","103","2","103","2","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C28 H25 Au Cl O4 P -","- C28 H25 Au Cl O4 P -","- C56 H50 Au2 Cl2 O8 P2 -","2","1","","Li, Xi-Rui; Yang, Xiang-Yuan; Li, Yongxin; Pullarkat, Sumod A.; Leung, Pak-Hing","Efficient access to a designed phosphapalladacycle catalyst via enantioselective catalytic asymmetric hydrophosphination.","Dalton transactions (Cambridge, England : 2003)","2017","46","4","1311","1316","10.1039/c6dt04447f","","","0.71073","MoKα","","0.0708","0.0532","","","0.1112","0.1219","","","","","","0.905","","","","has coordinates","191602","2020-10-21","18:00:00",""
"7041596","9.4544","0.0004","15.4951","0.0006","12.6849","0.0005","90","","109.946","0.0016","90","","1746.82","0.12","153","2","153","2","","","","","","","","7","P 1 21 1","P 2yb","4","","","","- C38 H37 Cl3 N O4 P Pd -","- C38 H37 Cl3 N O4 P Pd -","- C76 H74 Cl6 N2 O8 P2 Pd2 -","2","1","","Li, Xi-Rui; Yang, Xiang-Yuan; Li, Yongxin; Pullarkat, Sumod A.; Leung, Pak-Hing","Efficient access to a designed phosphapalladacycle catalyst via enantioselective catalytic asymmetric hydrophosphination.","Dalton transactions (Cambridge, England : 2003)","2017","46","4","1311","1316","10.1039/c6dt04447f","","","0.71073","MoKα","","0.0656","0.0493","","","0.1081","0.1181","","","","","","1.024","","","","has coordinates","191602","2020-10-21","18:00:00",""
"7041597","10.97","0.0001","19.8122","0.0002","12.5607","0.0001","90","","108.499","0.0006","90","","2588.89","0.04","103","2","103","2","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C57 H50 Cl4 O8 P2 Pd2 -","- C57 H50 Cl4 O8 P2 Pd2 -","- C114 H100 Cl8 O16 P4 Pd4 -","2","1","","Li, Xi-Rui; Yang, Xiang-Yuan; Li, Yongxin; Pullarkat, Sumod A.; Leung, Pak-Hing","Efficient access to a designed phosphapalladacycle catalyst via enantioselective catalytic asymmetric hydrophosphination.","Dalton transactions (Cambridge, England : 2003)","2017","46","4","1311","1316","10.1039/c6dt04447f","","","1.54178","CuKα","","0.034","0.0325","","","0.0816","0.0829","","","","","","1.063","","","","has coordinates,has disorder","191602","2020-10-21","18:00:00",""
"7041598","10.62424","0.00009","10.81406","0.0001","25.3404","0.0002","90","","90","","90","","2911.39","0.04","103","2","103","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C28 H30 Cl O11 P Pd -","- C28 H30 Cl O11 P Pd -","- C112 H120 Cl4 O44 P4 Pd4 -","4","1","","Li, Xi-Rui; Yang, Xiang-Yuan; Li, Yongxin; Pullarkat, Sumod A.; Leung, Pak-Hing","Efficient access to a designed phosphapalladacycle catalyst via enantioselective catalytic asymmetric hydrophosphination.","Dalton transactions (Cambridge, England : 2003)","2017","46","4","1311","1316","10.1039/c6dt04447f","","","1.54178","CuKα","","0.0314","0.0308","","","0.0822","0.0826","","","","","","1.023","","","","has coordinates,has disorder","191602","2020-10-21","18:00:00",""
"7041599","7.4541","0.0005","8.8585","0.0007","11.6898","0.0009","81.339","0.006","81.724","0.006","84.108","0.006","752.56","0.1","103","2","103","2","","","","","","","","5","P -1","-P 1","2","","","","- C17 H11 Cl2 N3 Pt -","- C17 H11 Cl2 N3 Pt -","- C34 H22 Cl4 N6 Pt2 -","2","1","","Ypsilantis, Konstantinos; Tsolis, Theodoros; Kourtellaris, Andreas; Manos, Manolis J.; Plakatouras, John C.; Garoufis, Achilleas","Synthesis, reactivity and characterization of Pt(ii) complexes with N,N' chelating ligands; structure and dimethylsulfoxide reactivity relationship.","Dalton transactions (Cambridge, England : 2003)","2017","46","5","1467","1480","10.1039/c6dt04035g","","","0.7107","MoKα","","0.0797","0.0535","","","0.0829","0.1028","","","","","","1.02","","","","has coordinates","191653","2020-10-21","18:00:00",""
"7041600","30.8793","0.0011","30.8793","0.0011","6.8697","0.0002","90","","90","","120","","5672.9","0.3","100.05","0.1","100.05","0.1","","","","","","","","5","R 3 c :H","R 3 -2""c","161","","","","- C13 H9 Cl2 N3 Pt -","- C13 H9 Cl2 N3 Pt -","- C234 H162 Cl36 N54 Pt18 -","18","1","","Ypsilantis, Konstantinos; Tsolis, Theodoros; Kourtellaris, Andreas; Manos, Manolis J.; Plakatouras, John C.; Garoufis, Achilleas","Synthesis, reactivity and characterization of Pt(ii) complexes with N,N' chelating ligands; structure and dimethylsulfoxide reactivity relationship.","Dalton transactions (Cambridge, England : 2003)","2017","46","5","1467","1480","10.1039/c6dt04035g","","","0.71073","MoKα","","0.0416","0.0409","","","0.1008","0.1012","","","","","","1.054","","","","has coordinates","191653","2020-10-21","18:00:00",""
"7041601","20.87","0.002","7.784","0.0006","20.87","0.002","90","","98.119","0.001","90","","3356.4","0.5","100.4","0.14","100.4","0.14","","","","","","","","7","C 1 2/c 1","-C 2yc","15","","","","- C15 H15 Cl2 N3 O Pt S -","- C15 H15 Cl2 N3 O Pt S -","- C120 H120 Cl16 N24 O8 Pt8 S8 -","8","1","","Ypsilantis, Konstantinos; Tsolis, Theodoros; Kourtellaris, Andreas; Manos, Manolis J.; Plakatouras, John C.; Garoufis, Achilleas","Synthesis, reactivity and characterization of Pt(ii) complexes with N,N' chelating ligands; structure and dimethylsulfoxide reactivity relationship.","Dalton transactions (Cambridge, England : 2003)","2017","46","5","1467","1480","10.1039/c6dt04035g","","x-ray","0.71073","MoKα","","0.0774","0.0574","","","0.1274","0.1471","","","","","","1.013","","","","has coordinates","191653","2020-10-21","18:00:00",""
"7041602","14.6041","0.0014","10.2207","0.0014","17.0281","0.0014","90","","90","","90","","2541.7","0.5","102.65","0.1","102.65","0.1","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C14 H10 Cl2 N2 Pt -","- C14 H10 Cl2 N2 Pt -","- C112 H80 Cl16 N16 Pt8 -","8","1","","Ypsilantis, Konstantinos; Tsolis, Theodoros; Kourtellaris, Andreas; Manos, Manolis J.; Plakatouras, John C.; Garoufis, Achilleas","Synthesis, reactivity and characterization of Pt(ii) complexes with N,N' chelating ligands; structure and dimethylsulfoxide reactivity relationship.","Dalton transactions (Cambridge, England : 2003)","2017","46","5","1467","1480","10.1039/c6dt04035g","","x-ray","0.71073","MoKα","","0.0604","0.0456","","","0.1066","0.1159","","","","","","1.006","","","","has coordinates","191653","2020-10-21","18:00:00",""
"7041603","10.6319","0.0006","11.2402","0.0005","14.0886","0.0005","80.307","0.003","84.555","0.004","69.904","0.004","1557.33","0.13","293","2","293","2","","","","","","","","6","P -1","-P 1","2","","","","- C31 H22 Cl3 N5 O0 Ru -","- C31 H22 Cl3 N5 Ru -","- C62 H44 Cl6 N10 Ru2 -","2","1","","Milutinović, Milan M; Elmroth, Sofi K. C.; Davidović, Goran; Rilak, Ana; Klisurić, Olivera R; Bratsos, Ioannis; Bugarčić, Živadin D","Kinetic and mechanistic study on the reactions of ruthenium(ii) chlorophenyl terpyridine complexes with nucleobases, oligonucleotides and DNA.","Dalton transactions (Cambridge, England : 2003)","2017","46","7","2360","2369","10.1039/c6dt04254f","","","0.71073","MoKα","","0.0751","0.0472","","","0.0915","0.0994","","","","","","0.935","","","","has coordinates","193827","2020-10-21","18:00:00",""
"7041604","4.2917","0.0009","7.8624","0.0015","12.0505","0.0019","90","","90.44","0.03","90","","406.61","0.13","203","2","203","2","","","","","","","","5","C 1 c 1","C -2yc","9","","","","- B F K O4 P -","- B F K O4 P -","- B4 F4 K4 O16 P4 -","4","1","","Jiang, Ji-Hong; Zhang, Lin-Chuan; Huang, Ya-Xi; Sun, Zhi-Mei; Pan, Yuanming; Mi, Jin-Xiao","KB(PO4)F: a novel acentric deep-ultraviolet material.","Dalton transactions (Cambridge, England : 2003)","2017","46","5","1677","1683","10.1039/c6dt04026h","","","0.71073","MoKα","","0.0666","0.0645","","","0.1815","0.1856","","","","","","1.093","","","","has coordinates","191663","2020-10-21","18:00:00",""
"7041605","12.3968","0.0012","15.3222","0.0016","25.014","0.003","90","","100.198","0.005","90","","4676.3","0.9","100","2","100","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","compound 2","","- C56 H65 N4 Ni2 O2 -","- C56 H65 N4 Ni2 O2 -","- C224 H260 N16 Ni8 O8 -","4","1","","Hollingsworth, Ryan L.; Bheemaraju, Amarnath; Lenca, Nicole; Lord, Richard L.; Groysman, Stanislav","Divergent reactivity of a new dinuclear xanthene-bridged bis(iminopyridine) di-nickel complex with alkynes.","Dalton transactions (Cambridge, England : 2003)","2017","46","17","5605","5616","10.1039/c6dt04532d","","","0.71073","MoKα","","0.0711","0.0526","","","0.136","0.1514","","","","","","1.049","","","","has coordinates","196395","2020-10-21","18:00:00",""
"7041606","7.468","0.002","17.475","0.005","21.22","0.006","107.089","0.006","99.752","0.007","92.998","0.007","2593.4","1.3","150","2","150","2","","","","","","","","7","P -1","-P 1","2","","","","- C44 H70 I2 N2 O2 P4 Pt2 -","- C44 H70 I2 N2 O2 P4 Pt2 -","- C88 H140 I4 N4 O4 P8 Pt4 -","2","1","","Jana, Achintya; Bhowmick, Sourav; Kaur, Supreet; Kashyap, Hemant K.; Das, Neeladri","Design of a flexible organometallic tecton: host-guest chemistry with picric acid and self-assembly of platinum macrocycles.","Dalton transactions (Cambridge, England : 2003)","2017","46","6","1986","1995","10.1039/c6dt03498e","","","0.71073","MoKα","","0.0743","0.0514","","","0.1153","0.1243","","","","","","1.028","","","","has coordinates","193811","2020-10-21","18:00:00",""
"7041607","32.127","0.007","15.117","0.004","26.528","0.007","90","","92.984","0.004","90","","12866","6","93","","93","","","","","","","","","7","P 1 2/c 1","-P 2yc","13","","","","- C81 H96 Al3 N6 O59 P W12 -","- C81 H84 Al3 N6 O59 P W12 -","- C324 H336 Al12 N24 O236 P4 W48 -","4","1","","Kawahara, Ryosuke; Osuga, Ryota; Kondo, Junko N.; Mizuno, Noritaka; Uchida, Sayaka","Synergetic effect in heterogeneous acid catalysis by a porous ionic crystal based on Al(iii)-salphen and polyoxometalate.","Dalton transactions (Cambridge, England : 2003)","2017","46","10","3105","3109","10.1039/c6dt04552a","","","0.71075","MoKα","","0.1043","0.0782","","","0.1896","0.2066","","","","","","1.094","","","","has coordinates","195063","2020-10-21","18:00:00",""
"7041608","9.653","0.002","9.693","0.002","16.468","0.004","102.629","0.006","90.714","0.005","92.986","0.007","1501.1","0.6","130","2","130","2","","","","","","","","3","P -1","-P 1","2","","","","- C21 H17 N -","- C21 H17 N -","- C84 H68 N4 -","4","2","","Tussing, Sebastian; Ohland, Miriam; Wicker, Garrit; Flörke, Ulrich; Paradies, Jan","Borane-catalyzed indole synthesis through intramolecular hydroamination.","Dalton transactions (Cambridge, England : 2003)","2017","46","5","1539","1545","10.1039/c6dt04725d","","","0.71073","MoKα","","0.0877","0.0596","","","0.1218","0.1404","","","","","","1.037","","","","has coordinates","191657","2020-10-21","18:00:00",""
"7041609","13.159","0.003","16.58","0.004","17.399","0.004","97.328","0.006","99.478","0.005","93.143","0.006","3702.5","1.5","130","2","130","2","","","","","","","","6","P -1","-P 1","2","","","","- C40 H17 B Cl2 F15 N -","- C39 H15 B F15 N -","- C156 H60 B4 F60 N4 -","4","2","","Tussing, Sebastian; Ohland, Miriam; Wicker, Garrit; Flörke, Ulrich; Paradies, Jan","Borane-catalyzed indole synthesis through intramolecular hydroamination.","Dalton transactions (Cambridge, England : 2003)","2017","46","5","1539","1545","10.1039/c6dt04725d","","","0.71073","MoKα","","0.1797","0.07","","","0.1303","0.1616","","","","","","0.763","","","","has coordinates","191657","2020-10-21","18:00:00",""
"7041610","12.0562","0.0013","17.736","0.002","22.703","0.003","80.635","0.003","89.808","0.003","72.952","0.003","4574.3","0.9","130","2","130","2","","","","","","","","6","P -1","-P 1","2","","","","- C49 H38 B Cl2 F15 N2 -","- C49 H38 B Cl2 F15 N2 -","- C196 H152 B4 Cl8 F60 N8 -","4","2","","Tussing, Sebastian; Ohland, Miriam; Wicker, Garrit; Flörke, Ulrich; Paradies, Jan","Borane-catalyzed indole synthesis through intramolecular hydroamination.","Dalton transactions (Cambridge, England : 2003)","2017","46","5","1539","1545","10.1039/c6dt04725d","","","0.71073","MoKα","","0.1568","0.0663","","","0.1177","0.1526","","","","","","0.909","","","","has coordinates","191657","2020-10-21","18:00:00",""
"7041611","18.053","0.003","9.2454","0.0013","19.716","0.003","90","","90","","90","","3290.7","0.9","130","2","130","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C22 H19 N O -","- C22 H19 N O -","- C176 H152 N8 O8 -","8","1","","Tussing, Sebastian; Ohland, Miriam; Wicker, Garrit; Flörke, Ulrich; Paradies, Jan","Borane-catalyzed indole synthesis through intramolecular hydroamination.","Dalton transactions (Cambridge, England : 2003)","2017","46","5","1539","1545","10.1039/c6dt04725d","","","0.71073","MoKα","","0.0757","0.0463","","","0.0882","0.1003","","","","","","1.044","","","","has coordinates","191657","2020-10-21","18:00:00",""
"7041612","30.6593","0.0018","8.5669","0.0005","33.864","0.002","90","","102.117","0.002","90","","8696.4","0.9","223","2","223","2","","","","","","","","8","C 1 2/c 1","-C 2yc","15","","","","- C29 H42 Cl F3 N6 O3 Pd S3 -","- C29 H42 Cl F3 N6 O3 Pd S3 -","- C232 H336 Cl8 F24 N48 O24 Pd8 S24 -","8","1","","Wang, Yu-Ting; Gao, Bin-Bin; Wang, Fan; Liu, Shi-Yuan; Yu, Hong; Zhang, Wen-Hua; Lang, Jian-Ping","Palladium(ii) and palladium(ii)-silver(i) complexes with N-heterocyclic carbene and zwitterionic thiolate mixed ligands: synthesis, structural characterization and catalytic properties.","Dalton transactions (Cambridge, England : 2003)","2017","46","6","1832","1839","10.1039/c6dt04599e","","","0.71073","MoKα","","0.0799","0.0692","","","0.1815","0.1866","","","","","","1.183","","","","has coordinates,has disorder","193812","2020-10-21","18:00:00",""
"7041613","10.4595","0.0007","12.4551","0.0007","25.84","0.0014","90","","112.347","0.003","90","","3113.5","0.3","153","2","153","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C42 H64 F24 N12 P4 Pd2 S2 -","- C42 H64 F24 N12 P4 Pd2 S2 -","- C84 H128 F48 N24 P8 Pd4 S4 -","2","0.5","","Wang, Yu-Ting; Gao, Bin-Bin; Wang, Fan; Liu, Shi-Yuan; Yu, Hong; Zhang, Wen-Hua; Lang, Jian-Ping","Palladium(ii) and palladium(ii)-silver(i) complexes with N-heterocyclic carbene and zwitterionic thiolate mixed ligands: synthesis, structural characterization and catalytic properties.","Dalton transactions (Cambridge, England : 2003)","2017","46","6","1832","1839","10.1039/c6dt04599e","","","0.71073","MoKα","","0.0399","0.0361","","","0.0806","0.0832","","","","","","1.087","","","","has coordinates","193812","2020-10-21","18:00:00",""
"7041614","15.2582","0.0012","8.1923","0.0006","32.518","0.002","90","","92.608","0.002","90","","4060.5","0.5","193","2","193","2","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C30 H45 F12 N7 P2 Pd S2 -","- C30 H45 F12 N7 P2 Pd S2 -","- C120 H180 F48 N28 P8 Pd4 S8 -","4","1","","Wang, Yu-Ting; Gao, Bin-Bin; Wang, Fan; Liu, Shi-Yuan; Yu, Hong; Zhang, Wen-Hua; Lang, Jian-Ping","Palladium(ii) and palladium(ii)-silver(i) complexes with N-heterocyclic carbene and zwitterionic thiolate mixed ligands: synthesis, structural characterization and catalytic properties.","Dalton transactions (Cambridge, England : 2003)","2017","46","6","1832","1839","10.1039/c6dt04599e","","","0.71073","MoKα","","0.0628","0.0446","","","0.0941","0.1012","","","","","","1.027","","","","has coordinates","193812","2020-10-21","18:00:00",""
"7041615","39.487","0.009","18.813","0.004","29.645","0.006","90","","115.292","0.002","90","","19911","7","153","2","153","2","","","","","","","","8","C 1 2/c 1","-C 2yc","15","","","","- C130 H194 Ag4 F72 N26 P12 Pd4 S10 -","- C130 H194 Ag4 F72 N26 P12 Pd4 S10 -","- C520 H776 Ag16 F288 N104 P48 Pd16 S40 -","4","0.5","","Wang, Yu-Ting; Gao, Bin-Bin; Wang, Fan; Liu, Shi-Yuan; Yu, Hong; Zhang, Wen-Hua; Lang, Jian-Ping","Palladium(ii) and palladium(ii)-silver(i) complexes with N-heterocyclic carbene and zwitterionic thiolate mixed ligands: synthesis, structural characterization and catalytic properties.","Dalton transactions (Cambridge, England : 2003)","2017","46","6","1832","1839","10.1039/c6dt04599e","","","0.71073","MoKα","","0.1205","0.0607","","","0.1389","0.1766","","","","","","1.067","","","","has coordinates,has disorder","193812","2020-10-21","18:00:00",""
"7041616","16.4841","0.0014","10.5395","0.0009","11.6208","0.001","90","","108.772","0.002","90","","1911.5","0.3","193","2","193","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C30 H42 F6 N6 O6 Pd S4 -","- C30 H42 F6 N6 O6 Pd S4 -","- C60 H84 F12 N12 O12 Pd2 S8 -","2","0.5","","Wang, Yu-Ting; Gao, Bin-Bin; Wang, Fan; Liu, Shi-Yuan; Yu, Hong; Zhang, Wen-Hua; Lang, Jian-Ping","Palladium(ii) and palladium(ii)-silver(i) complexes with N-heterocyclic carbene and zwitterionic thiolate mixed ligands: synthesis, structural characterization and catalytic properties.","Dalton transactions (Cambridge, England : 2003)","2017","46","6","1832","1839","10.1039/c6dt04599e","","","0.71073","MoKα","","0.0235","0.0206","","","0.0524","0.0538","","","","","","1.075","","","","has coordinates","193812","2020-10-21","18:00:00",""
"7041617","12.6916","0.0006","15.6346","0.0005","17.436","0.0009","101.276","0.004","107.34","0.005","97.781","0.004","3168.7","0.3","223","2","223","2","","","","","","","","8","P -1","-P 1","2","","","","- C80 H110 Cl2 F18 N14 O18 Pd4 S12 -","- C80 H110 Cl2 F18 N14 O18 Pd4 S12 -","- C80 H110 Cl2 F18 N14 O18 Pd4 S12 -","1","0.5","","Wang, Yu-Ting; Gao, Bin-Bin; Wang, Fan; Liu, Shi-Yuan; Yu, Hong; Zhang, Wen-Hua; Lang, Jian-Ping","Palladium(ii) and palladium(ii)-silver(i) complexes with N-heterocyclic carbene and zwitterionic thiolate mixed ligands: synthesis, structural characterization and catalytic properties.","Dalton transactions (Cambridge, England : 2003)","2017","46","6","1832","1839","10.1039/c6dt04599e","","","0.71073","MoKα","","0.1862","0.0948","","","0.227","0.2925","","","","","","0.985","","","","has coordinates,has disorder","193812","2020-10-21","18:00:00",""
"7041618","18.2595","0.001","18.2595","0.001","38.7419","0.0016","90","","90","","120","","11186.4","1","296","2","296.15","","","","","","","","","6","R -3 c","-R 3 2""c","167","","","","- C63 H39 Cu3 Mo8 N12 O32 -","- C63 H39 Cu3 Mo7.9998 N12 O31.9998 -","- C378 H234 Cu18 Mo47.9988 N72 O191.999 -","6","","","Wang, Xiu-Li; Zhang, Rui; Wang, Xiang; Lin, Hong-Yan; Liu, Guo-Cheng; Zhang, Hui-Xiu","Three novel and various isopolymolybdate-based hybrids built from the carboxyl oxygen atoms of in situ ligands: substituent-tuned assembly, architectures and properties.","Dalton transactions (Cambridge, England : 2003)","2017","46","6","1965","1974","10.1039/c6dt04185j","","","0.71073","MoKα","","0.0547","0.0402","","","0.1064","0.1155","","","","","","1.045","","","","has coordinates,has disorder","193797","2020-10-21","18:00:00",""
"7041619","20.1931","0.0016","11.4242","0.0007","7.3164","0.0004","90","","98.212","0.002","90","","1670.51","0.19","293","2","293","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C11 H7 Cu Mo2 N6 O8 -","- C11 H7 Cu Mo2 N6 O8 -","- C44 H28 Cu4 Mo8 N24 O32 -","4","0.5","","Wang, Xiu-Li; Zhang, Rui; Wang, Xiang; Lin, Hong-Yan; Liu, Guo-Cheng; Zhang, Hui-Xiu","Three novel and various isopolymolybdate-based hybrids built from the carboxyl oxygen atoms of in situ ligands: substituent-tuned assembly, architectures and properties.","Dalton transactions (Cambridge, England : 2003)","2017","46","6","1965","1974","10.1039/c6dt04185j","","","0.71073","MoKα","","0.025","0.0243","","","0.066","0.0666","","","","","","1.069","","","","has coordinates","193797","2020-10-21","18:00:00",""
"7041620","11.726","0.002","14.152","0.002","14.759","0.002","95.609","0.003","94.212","0.003","104.471","0.004","2347.9","0.6","293","2","293","2","","","","","","","","6","P -1","-P 1","2","","","","- C26 H23 Cu2 Mo8 N8 O33 -","- C26 H24 Cu2 Mo8 N8 O33 -","- C52 H48 Cu4 Mo16 N16 O66 -","2","1","","Wang, Xiu-Li; Zhang, Rui; Wang, Xiang; Lin, Hong-Yan; Liu, Guo-Cheng; Zhang, Hui-Xiu","Three novel and various isopolymolybdate-based hybrids built from the carboxyl oxygen atoms of in situ ligands: substituent-tuned assembly, architectures and properties.","Dalton transactions (Cambridge, England : 2003)","2017","46","6","1965","1974","10.1039/c6dt04185j","","","0.71073","MoKα","","0.117","0.0683","","","0.1556","0.1803","","","","","","1.015","","","","has coordinates,has disorder","193797","2020-10-21","18:00:00",""
"7041621","7.996","0.002","8.629","0.002","10.973","0.003","94.86","0.005","98.907","0.005","101.907","0.005","726.5","0.3","296","2","296","2","","","","","","","","5","P -1","-P 1","2","","","","- C10 H9 Cu N5 O7 -","- C10 H7 Cu N5 O7 -","- C20 H14 Cu2 N10 O14 -","2","1","","Yang, Qi; Ge, Jing; Liu, Xin; Shi, Quan; Ke, Hongshan; Wei, Qing; Xie, Gang; Chen, Sanping; Gao, Shengli","Low temperature heat capacity, standard entropy, standard enthalpy and magnetic property: a new 1D Cu(II) coordination polymer incorporating tetrazole-1-acetic acid and p-nitrobenzoic acid.","Dalton transactions (Cambridge, England : 2003)","2017","46","6","1878","1884","10.1039/c6dt04695a","","","0.71073","MoKα","","0.101","0.0686","","","0.1798","0.1991","","","","","","1.022","","","","has coordinates","193799","2020-10-21","18:00:00",""
"7041622","13.4969","0.0004","13.4969","0.0004","33.8779","0.0011","90","","90","","120","","5344.6","0.3","180","2","180","2","","","","","","","","6","R -3 :H","-R 3","148","","","","- C72 H60 Cu2 P2 Se6 Sn -","- C72 H60 Cu2 P2 Se6 Sn -","- C216 H180 Cu6 P6 Se18 Sn3 -","3","0.166667","","Kühn, Michael; Lebedkin, Sergei; Weigend, Florian; Eichhöfer, Andreas","Optical properties of trinuclear metal chalcogenolate complexes - room temperature NIR fluorescence in [Cu2Ti(SPh)6(PPh3)2].","Dalton transactions (Cambridge, England : 2003)","2017","46","5","1502","1509","10.1039/c6dt04287b","","","0.71073","MoKα","","0.048","0.0367","","","0.0933","0.0983","","","","","","1.03","","","","has coordinates,has disorder","191668","2020-10-21","18:00:00",""
"7041623","13.2373","0.0019","13.2373","0.0019","34.644","0.007","90","","90","","120","","5257.2","1.5","180","2","180","2","","","","","","","","6","R -3 :H","-R 3","148","","","","- C72 H60 Ag2 P2 S6 Sn -","- C72 H60 Ag2 P2 S6 Sn -","- C216 H180 Ag6 P6 S18 Sn3 -","3","0.166667","","Kühn, Michael; Lebedkin, Sergei; Weigend, Florian; Eichhöfer, Andreas","Optical properties of trinuclear metal chalcogenolate complexes - room temperature NIR fluorescence in [Cu2Ti(SPh)6(PPh3)2].","Dalton transactions (Cambridge, England : 2003)","2017","46","5","1502","1509","10.1039/c6dt04287b","","","0.71073","MoKα","","0.0426","0.0298","","","0.0638","0.0689","","","","","","1.03","","","","has coordinates","191668","2020-10-21","18:00:00",""
"7041624","10.714","0.0004","12.9359","0.0004","13.846","0.0004","71.086","0.003","85.433","0.003","67.607","0.003","1676.37","0.11","99.98","0.1","99.98","0.1","","","","","","","","4","P -1","-P 1","2","","","","- C33 H39 F Si4 -","- C33 H39 F Si4 -","- C66 H78 F2 Si8 -","2","1","","Tomaschautzky, Janek; Neumann, Beate; Stammler, Hans-Georg; Mix, Andreas; Mitzel, Norbert W.","Tridentate Lewis-acids based on triphenylsilane.","Dalton transactions (Cambridge, England : 2003)","2017","46","5","1645","1659","10.1039/c6dt04293g","","x-ray","1.54184","CuKα","","0.04","0.0325","","","0.082","0.0871","","","","","","1.03","","","","has coordinates","191654","2020-10-21","18:00:00",""
"7041625","23.2777","0.001","23.2777","0.001","25.4877","0.0006","90","","90","","120","","11960.3","0.8","100.01","0.1","100.01","0.1","","","","","","","","3","R -3","-R 3","148","","","","- C24 H21.96 Si -","- C24 H21.9635 Si -","- C576 H527.124 Si24 -","24","","","Tomaschautzky, Janek; Neumann, Beate; Stammler, Hans-Georg; Mix, Andreas; Mitzel, Norbert W.","Tridentate Lewis-acids based on triphenylsilane.","Dalton transactions (Cambridge, England : 2003)","2017","46","5","1645","1659","10.1039/c6dt04293g","","x-ray","1.54184","CuKα","","0.0813","0.0625","","","0.1727","0.1847","","","","","","1.063","","","","has coordinates,has disorder","191654","2020-10-21","18:00:00",""
"7041626","18.62445","0.00007","16.0957","0.00008","11.42592","0.00005","90","","98.2284","0.0004","90","","3389.93","0.03","100","0.1","100","0.1","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C27 H33 Cl6 F Si4 -","- C27 H33 Cl6 F Si4 -","- C108 H132 Cl24 F4 Si16 -","4","1","","Tomaschautzky, Janek; Neumann, Beate; Stammler, Hans-Georg; Mix, Andreas; Mitzel, Norbert W.","Tridentate Lewis-acids based on triphenylsilane.","Dalton transactions (Cambridge, England : 2003)","2017","46","5","1645","1659","10.1039/c6dt04293g","","x-ray","1.54184","CuKα","","0.0253","0.0249","","","0.065","0.0654","","","","","","1.049","","","","has coordinates,has disorder","191654","2020-10-21","18:00:00",""
"7041627","12.80666","0.00009","41.3809","0.0002","13.17067","0.00013","90","","90.2126","0.0007","90","","6979.76","0.09","100","0.1","100","0.1","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C33 H39 F Si Sn3 -","- C33 H39 F Si Sn3 -","- C264 H312 F8 Si8 Sn24 -","8","4","","Tomaschautzky, Janek; Neumann, Beate; Stammler, Hans-Georg; Mix, Andreas; Mitzel, Norbert W.","Tridentate Lewis-acids based on triphenylsilane.","Dalton transactions (Cambridge, England : 2003)","2017","46","5","1645","1659","10.1039/c6dt04293g","","x-ray","1.54184","CuKα","","0.0394","0.0376","","","0.0937","0.0955","","","","","","1.022","","","","has coordinates","191654","2020-10-21","18:00:00",""
"7041628","18.6337","0.0004","9.39128","0.00018","17.3787","0.0003","90","","98.1285","0.0019","90","","3010.62","0.1","99.96","0.12","99.96","0.12","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C27 H33 F7 Si4 -","- C27 H33 F7 Si4 -","- C108 H132 F28 Si16 -","4","1","","Tomaschautzky, Janek; Neumann, Beate; Stammler, Hans-Georg; Mix, Andreas; Mitzel, Norbert W.","Tridentate Lewis-acids based on triphenylsilane.","Dalton transactions (Cambridge, England : 2003)","2017","46","5","1645","1659","10.1039/c6dt04293g","","x-ray","1.54184","CuKα","","0.0586","0.05","","","0.1317","0.1389","","","","","","1.054","","","","has coordinates","191654","2020-10-21","18:00:00",""
"7041629","20.81418","0.00009","20.81418","0.00009","32.64138","0.00014","90","","90","","120","","12246.7","0.09","100.01","0.1","100.01","0.1","","","","","","","","4","R -3","-R 3","148","","","","- C42 H30 F16 Si4 -","- C42 H30 F16 Si4 -","- C504 H360 F192 Si48 -","12","","","Tomaschautzky, Janek; Neumann, Beate; Stammler, Hans-Georg; Mix, Andreas; Mitzel, Norbert W.","Tridentate Lewis-acids based on triphenylsilane.","Dalton transactions (Cambridge, England : 2003)","2017","46","5","1645","1659","10.1039/c6dt04293g","","x-ray","1.54184","CuKα","","0.0356","0.0355","","","0.101","0.1011","","","","","","1.062","","","","has coordinates,has disorder","191654","2020-10-21","18:00:00",""
"7041630","9.3691","0.0003","15.3606","0.0006","12.4364","0.0004","90","","92.003","0.003","90","","1788.69","0.11","100","0.1","100","0.1","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C24 H15 F Si -","- C24 H15 F Si -","- C96 H60 F4 Si4 -","4","1","","Tomaschautzky, Janek; Neumann, Beate; Stammler, Hans-Georg; Mix, Andreas; Mitzel, Norbert W.","Tridentate Lewis-acids based on triphenylsilane.","Dalton transactions (Cambridge, England : 2003)","2017","46","5","1645","1659","10.1039/c6dt04293g","","x-ray","1.54184","CuKα","","0.066","0.0444","","","0.0995","0.1109","","","","","","1.026","","","","has coordinates","191654","2020-10-21","18:00:00",""
"7041631","8.8156","0.0011","9.6417","0.0012","17.3878","0.0016","102.5","0.009","91.619","0.009","97.127","0.01","1429.4","0.3","100.01","0.1","100.01","0.1","","","","","","","","5","P -1","-P 1","2","","","","- C24 H30 Cl3 F Si4 -","- C24 H30 Cl3 F Si4 -","- C48 H60 Cl6 F2 Si8 -","2","1","","Tomaschautzky, Janek; Neumann, Beate; Stammler, Hans-Georg; Mix, Andreas; Mitzel, Norbert W.","Tridentate Lewis-acids based on triphenylsilane.","Dalton transactions (Cambridge, England : 2003)","2017","46","5","1645","1659","10.1039/c6dt04293g","","x-ray","1.54184","CuKα","","0.0434","0.0365","","","0.0948","0.1001","","","","","","1.031","","","","has coordinates,has disorder","191654","2020-10-21","18:00:00",""
"7041632","10.21572","0.00013","11.13196","0.00015","13.90239","0.00016","98.4221","0.001","103.528","0.0011","104.87","0.0012","1449.33","0.03","100.01","0.1","100.01","0.1","","","","","","","","5","P -1","-P 1","2","","","","- C24 H30 Br3.03 F0.97 Si4 -","- C24 H30 Br3.0255 F0.9745 Si4 -","- C48 H60 Br6.051 F1.949 Si8 -","2","1","","Tomaschautzky, Janek; Neumann, Beate; Stammler, Hans-Georg; Mix, Andreas; Mitzel, Norbert W.","Tridentate Lewis-acids based on triphenylsilane.","Dalton transactions (Cambridge, England : 2003)","2017","46","5","1645","1659","10.1039/c6dt04293g","","x-ray","1.54184","CuKα","","0.0249","0.0244","","","0.0629","0.0632","","","","","","1.063","","","","has coordinates,has disorder","191654","2020-10-21","18:00:00",""
"7041633","18.1783","0.001","9.5489","0.0003","30.1357","0.0013","90","","91.508","0.004","90","","5229.2","0.4","100","0.1","100","0.1","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C24 H30 F4 Si4 -","- C24 H30 F4 Si4 -","- C192 H240 F32 Si32 -","8","2","","Tomaschautzky, Janek; Neumann, Beate; Stammler, Hans-Georg; Mix, Andreas; Mitzel, Norbert W.","Tridentate Lewis-acids based on triphenylsilane.","Dalton transactions (Cambridge, England : 2003)","2017","46","5","1645","1659","10.1039/c6dt04293g","","x-ray","1.54184","CuKα","","0.0879","0.0851","","","0.228","0.2305","","","","","","1.085","","","","has coordinates","191654","2020-10-21","18:00:00",""
"7041634","8.56012","0.00016","8.59306","0.00018","21.6023","0.0005","90","","90","","90","","1589.01","0.06","99.9","0.3","99.9","0.3","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C18 H12 Bi F Si -","- C18 H12 Bi F Si -","- C72 H48 Bi4 F4 Si4 -","4","1","","Tomaschautzky, Janek; Neumann, Beate; Stammler, Hans-Georg; Mix, Andreas; Mitzel, Norbert W.","Tridentate Lewis-acids based on triphenylsilane.","Dalton transactions (Cambridge, England : 2003)","2017","46","5","1645","1659","10.1039/c6dt04293g","","x-ray","0.71073","MoKα","","0.0248","0.0229","","","0.0516","0.0528","","","","","","1.076","","","","has coordinates","191654","2020-10-21","18:00:00",""
"7041635","7.4821","0.0004","7.8061","0.0004","31.1863","0.0014","90","","92.952","0.004","90","","1819.05","0.16","99.8","0.4","99.98","0.16","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C18 H13 Br3 Si -","- C18 H13 Br3 Si -","- C72 H52 Br12 Si4 -","4","1","","Tomaschautzky, Janek; Neumann, Beate; Stammler, Hans-Georg; Mix, Andreas; Mitzel, Norbert W.","Tridentate Lewis-acids based on triphenylsilane.","Dalton transactions (Cambridge, England : 2003)","2017","46","5","1645","1659","10.1039/c6dt04293g","","x-ray","0.71073","MoKα","","0.0396","0.0279","","","0.0517","0.0553","","","","","","1.065","","","","has coordinates","191654","2020-10-21","18:00:00",""
"7041636","18.3989","0.0004","13.8715","0.0003","21.2423","0.0005","90","","105.035","0.002","90","","5235.9","0.2","100","0.11","100","0.11","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C24 H33 F Si4 -","- C24 H33 F Si4 -","- C192 H264 F8 Si32 -","8","2","","Tomaschautzky, Janek; Neumann, Beate; Stammler, Hans-Georg; Mix, Andreas; Mitzel, Norbert W.","Tridentate Lewis-acids based on triphenylsilane.","Dalton transactions (Cambridge, England : 2003)","2017","46","5","1645","1659","10.1039/c6dt04293g","","x-ray","0.71073","MoKα","","0.0406","0.0322","","","0.0986","0.1125","","","","","","1.2","","","","has coordinates,has disorder","191654","2020-10-21","18:00:00",""
"7041637","23.2278","0.0006","23.2278","0.0006","25.4534","0.0007","90","","90","","120","","11893","0.5","100","0.3","100","0.3","","","","","","","","4","R -3","-R 3","148","","","","- C24 H21 F Si -","- C24 H21 F Si -","- C576 H504 F24 Si24 -","24","","","Tomaschautzky, Janek; Neumann, Beate; Stammler, Hans-Georg; Mix, Andreas; Mitzel, Norbert W.","Tridentate Lewis-acids based on triphenylsilane.","Dalton transactions (Cambridge, England : 2003)","2017","46","5","1645","1659","10.1039/c6dt04293g","","x-ray","1.54184","CuKα","","0.0527","0.0466","","","0.1207","0.1248","","","","","","1.038","","","","has coordinates,has disorder","191654","2020-10-21","18:00:00",""
"7041638","14.5289","0.0004","14.5289","0.0004","5.78666","0.00015","90","","90","","120","","1057.85","0.05","100","0.1","100","0.1","","","","","","","","5","P 3 1 c","P 3 -2c","159","","","","- C20.5 H18 F I3 Si -","- C18 H12 F I3 Si -","- C36 H24 F2 I6 Si2 -","2","0.333333","","Tomaschautzky, Janek; Neumann, Beate; Stammler, Hans-Georg; Mix, Andreas; Mitzel, Norbert W.","Tridentate Lewis-acids based on triphenylsilane.","Dalton transactions (Cambridge, England : 2003)","2017","46","5","1645","1659","10.1039/c6dt04293g","","x-ray","1.54184","CuKα","","0.0296","0.0288","","","0.0781","0.0792","","","","","","1.059","","","","has coordinates","191654","2020-10-21","18:00:00",""
"7041639","10.57483","0.00014","10.9915","0.00016","16.03795","0.00017","83.1033","0.001","82.0102","0.001","66.9065","0.0014","1693.71","0.04","100.01","0.1","100.01","0.1","","","","","","","","3","P -1","-P 1","2","","","","- C33 H40 Si4 -","- C33 H40 Si4 -","- C66 H80 Si8 -","2","1","","Tomaschautzky, Janek; Neumann, Beate; Stammler, Hans-Georg; Mix, Andreas; Mitzel, Norbert W.","Tridentate Lewis-acids based on triphenylsilane.","Dalton transactions (Cambridge, England : 2003)","2017","46","5","1645","1659","10.1039/c6dt04293g","","x-ray","1.54184","CuKα","","0.0365","0.0359","","","0.0962","0.0966","","","","","","1.062","","","","has coordinates","191654","2020-10-21","18:00:00",""
"7041640","8.5263","0.00012","14.8043","0.0002","15.1065","0.0002","105.902","0.0013","99.9179","0.0012","95.7928","0.0012","1784.24","0.05","100.01","0.11","100.01","0.11","","","","","","","","5","P -1","-P 1","2","","","","- C18 H12 Br3 F Si -","- C18 H12 Br3 F Si -","- C72 H48 Br12 F4 Si4 -","4","2","","Tomaschautzky, Janek; Neumann, Beate; Stammler, Hans-Georg; Mix, Andreas; Mitzel, Norbert W.","Tridentate Lewis-acids based on triphenylsilane.","Dalton transactions (Cambridge, England : 2003)","2017","46","5","1645","1659","10.1039/c6dt04293g","","x-ray","0.71073","MoKα","","0.0364","0.0268","","","0.0591","0.0626","","","","","","1.034","","","","has coordinates","191654","2020-10-21","18:00:00",""
"7041641","16.6121","0.0015","15.106","0.0014","26.457","0.002","90","","90","","90","","6639.2","1","298","2","298","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C34 H31 Co N3 O11 -","- C34 H31 Co N3 O11 -","- C272 H248 Co8 N24 O88 -","8","1","","Ma, Ranran; Chen, Zhiwei; Cao, Fan; Wang, Suna; Huang, Xianqiang; Li, Yunwu; Lu, Jing; Li, Dacheng; Dou, Jianmin","Two 2-D multifunctional cobalt(ii) compounds: field-induced single-ion magnetism and catalytic oxidation of benzylic C-H bonds.","Dalton transactions (Cambridge, England : 2003)","2017","46","7","2137","2145","10.1039/c6dt04551k","","","0.71073","MoKα","","0.1136","0.0694","","","0.1885","0.215","","","","","","1.047","","","","has coordinates","193819","2020-10-21","18:00:00",""
"7041642","9.828","0.0008","13.1261","0.0011","14.0239","0.0012","91.929","0.001","106.802","0.002","100.302","0.002","1697","0.2","298","2","298","2","","","","","","","","5","P -1","-P 1","2","","","","- C39 H27 Co N3 O8 -","- C39 H27 Co N3 O8 -","- C78 H54 Co2 N6 O16 -","2","1","","Ma, Ranran; Chen, Zhiwei; Cao, Fan; Wang, Suna; Huang, Xianqiang; Li, Yunwu; Lu, Jing; Li, Dacheng; Dou, Jianmin","Two 2-D multifunctional cobalt(ii) compounds: field-induced single-ion magnetism and catalytic oxidation of benzylic C-H bonds.","Dalton transactions (Cambridge, England : 2003)","2017","46","7","2137","2145","10.1039/c6dt04551k","","","0.71073","MoKα","","0.1005","0.0604","","","0.1444","0.1599","","","","","","1.02","","","","has coordinates","193819","2020-10-21","18:00:00",""
"7041643","7.4585","0.00003","14.52185","0.00006","11.04584","0.00005","90","","90","","90","","1196.39","0.009","293","","293","","","","","","","","","3","P n m a","-P 2ac 2n","62","","","","- Cd O3 Te -","- Cd O3 Te -","- Cd16 O48 Te16 -","16","2","","Poupon, Morgane; Barrier, Nicolas; Petit, Sébastien; Boudin, Sophie","A new β-CdTeO3 polymorph with a structure related to α-CdTeO3.","Dalton transactions (Cambridge, England : 2003)","2017","46","6","1927","1935","10.1039/c6dt04449b","powder diffraction","x-ray","1.5406","CuKα1","","0.0228","0.0225","","0.0276","0.0276","","","","1.56","","","","","","","has coordinates","193804","2020-10-21","18:00:00",""
"7041644","9.976","0.005","12.292","0.005","12.366","0.005","96.422","0.005","111.407","0.005","92.186","0.005","1397.8","1.1","294","2","294","2","","","","","","","","5","P -1","-P 1","2","","","","- C26 H20 N10 Ni S2 -","- C26 H20 N10 Ni S2 -","- C52 H40 N20 Ni2 S4 -","2","1","","Halder, Shibashis; Mondal, John; Ortega-Castro, Joaquín; Frontera, Antonio; Roy, Partha","A Ni-based MOF for selective detection and removal of Hg(2+) in aqueous medium: a facile strategy.","Dalton transactions (Cambridge, England : 2003)","2017","46","6","1943","1950","10.1039/c6dt04722j","","","0.71073","MoKα","","0.0844","0.0493","","","0.1254","0.1457","","","","","","1.007","","","","has coordinates","193809","2020-10-21","18:00:00",""
"7041645","16.251","0.003","16.27","0.005","26.665","0.005","95.865","0.005","98.824","0.003","119.937","0.003","5904","2","296","2","296.15","","","","","","","","","8","P -1","-P 1","2","","","","- C4 H53 Fe3 K3 N4 Na2 Nb25 O93 -","- C4 H20 Fe3.0001 K3 N4 Na2 Nb24.9999 O93 -","- C8 H40 Fe6.0002 K6 N8 Na4 Nb49.9998 O186 -","2","1","","Liang, Zhijie; Wang, Ke; Zhang, Dongdi; Ma, Pengtao; Niu, Jingyang; Wang, Jingping","{Fe3Nb25} cluster based on an Fe-centred Keggin unit.","Dalton transactions (Cambridge, England : 2003)","2017","46","5","1368","1371","10.1039/c6dt04223f","","","0.71073","MoKα","","0.1429","0.0998","","","0.2547","0.2952","","","","","","1.042","","","","has coordinates,has disorder","191661","2020-10-21","18:00:00",""
"7041646","14.506","0.002","14.76","0.002","20.139","0.003","90","","98.609","0.004","90","","4263.3","1","100","2","100","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C38 H45 Mo2 N9 O7 -","- C38 H45 Mo2 N9 O7 -","- C152 H180 Mo8 N36 O28 -","4","0.5","","Jha, Vikesh Kumar; Mani, Ganesan; Davuluri, Yogeswara Rao; Anoop, Anakuthil","The pyrrole ring η(2)-hapticity bridged binuclear tricarbonyl Mo(0) and W(0) complexes: catalysis of regioselective hydroamination reactions and DFT calculations.","Dalton transactions (Cambridge, England : 2003)","2017","46","6","1840","1847","10.1039/c6dt04458a","","","0.71073","MoKα","","0.0308","0.0259","","","0.0638","0.0659","","","","","","1.05","","","","has coordinates","193810","2020-10-21","18:00:00",""
"7041647","14.4325","0.0009","14.7737","0.0009","20.2936","0.0013","90","","99.005","0.002","90","","4273.7","0.5","100","2","100","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C40 H49 N9 O7.5 W2 -","- C38 H45 N9 O7 W2 -","- C152 H180 N36 O28 W8 -","4","0.5","","Jha, Vikesh Kumar; Mani, Ganesan; Davuluri, Yogeswara Rao; Anoop, Anakuthil","The pyrrole ring η(2)-hapticity bridged binuclear tricarbonyl Mo(0) and W(0) complexes: catalysis of regioselective hydroamination reactions and DFT calculations.","Dalton transactions (Cambridge, England : 2003)","2017","46","6","1840","1847","10.1039/c6dt04458a","","","0.71073","MoKα","","0.0229","0.0209","","","0.0514","0.0524","","","","","","1.094","","","","has coordinates","193810","2020-10-21","18:00:00",""
"7041648","10.8901","0.0007","12.3059","0.0007","15.2966","0.001","90","","90","","90","","2049.9","0.2","123","2","123","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","chloro(perfluorophenyl)(3-(2,2,6,6-tetramethylpiperidin-1-ium-1-yl)- phenyl)hydroborate","","- C21 H24 B Cl F5 N -","- C21 H24 B Cl F5 N -","- C84 H96 B4 Cl4 F20 N4 -","4","1","","Chernichenko, K.; Kótai, B; Nieger, M.; Heikkinen, S.; Pápai, I; Repo, T.","Replacing C6F5 groups with Cl and H atoms in frustrated Lewis pairs: H2 additions and catalytic hydrogenations.","Dalton transactions (Cambridge, England : 2003)","2017","46","7","2263","2269","10.1039/c6dt04649e","","","0.71073","MoKα","","0.0356","0.0315","","","0.0824","0.0856","","","","","","1.062","","","","has coordinates","193818","2020-10-21","18:00:00",""
"7041649","11.1847","0.0005","11.3284","0.0005","12.5977","0.0006","90","","90","","90","","1596.19","0.13","123","2","123","2","","","","","","","","5","C m c 21","C 2c -2","36","","dichloro(2-(2,2,6,6-tetramethylpiperidin-1-ium-1-yl)phenyl)hydroborate","","- C15 H24 B Cl2 N -","- C15 H24 B Cl2 N -","- C60 H96 B4 Cl8 N4 -","4","0.5","","Chernichenko, K.; Kótai, B; Nieger, M.; Heikkinen, S.; Pápai, I; Repo, T.","Replacing C6F5 groups with Cl and H atoms in frustrated Lewis pairs: H2 additions and catalytic hydrogenations.","Dalton transactions (Cambridge, England : 2003)","2017","46","7","2263","2269","10.1039/c6dt04649e","","","0.71073","MoKα","","0.0238","0.0225","","","0.0578","0.0586","","","","","","1.085","","","","has coordinates","193818","2020-10-21","18:00:00",""
"7041650","14.123","0.001","15.558","0.001","19","0.002","90","","90","","90","","4174.8","0.6","123","2","123","2","","","","","","","","6","P b c a","-P 2ac 2ab","61","","dichloro(perfluorophenyl(2-(2,2,6,6-tetramethylpiperidin-1-ium-1-yl)- phenyl)borate","","- C21 H23 B Cl2 F5 N -","- C21 H23 B Cl2 F5 N -","- C168 H184 B8 Cl16 F40 N8 -","8","1","","Chernichenko, K.; Kótai, B; Nieger, M.; Heikkinen, S.; Pápai, I; Repo, T.","Replacing C6F5 groups with Cl and H atoms in frustrated Lewis pairs: H2 additions and catalytic hydrogenations.","Dalton transactions (Cambridge, England : 2003)","2017","46","7","2263","2269","10.1039/c6dt04649e","","","0.71073","MoKα","","0.0567","0.0405","","","0.0811","0.0867","","","","","","1.079","","","","has coordinates","193818","2020-10-21","18:00:00",""
"7041651","6.838","0.001","8.394","0.001","8.943","0.001","85.04","0.01","80.45","0.01","69.04","0.01","472.5","0.11","123","2","123","2","","","","","","","","5","P -1","-P 1","2","","8,8-dichloro-7,7-dimethyl-7-aza-8-borabicyclo[4.2.0]octa- 1,3,5-trien-7-ium-8-uide","","- C8 H10 B Cl2 N -","- C8 H10 B Cl2 N -","- C16 H20 B2 Cl4 N2 -","2","1","","Chernichenko, K.; Kótai, B; Nieger, M.; Heikkinen, S.; Pápai, I; Repo, T.","Replacing C6F5 groups with Cl and H atoms in frustrated Lewis pairs: H2 additions and catalytic hydrogenations.","Dalton transactions (Cambridge, England : 2003)","2017","46","7","2263","2269","10.1039/c6dt04649e","","","0.71073","MoKα","","0.0561","0.0448","","","0.1076","0.1142","","","","","","1.076","","","","has coordinates","193818","2020-10-21","18:00:00",""
"7041652","7.867","0.001","15.592","0.002","14.279","0.002","90","","104.89","0.02","90","","1692.7","0.4","123","2","123","2","","","","","","","","5","C 1 c 1","C -2yc","9","","trichloro(2-(2,2,6,6-tetramethylpiperidin-1-ium-1-yl)phenyl)borate","","- C15 H23 B Cl3 N -","- C15 H23 B Cl3 N -","- C60 H92 B4 Cl12 N4 -","4","1","","Chernichenko, K.; Kótai, B; Nieger, M.; Heikkinen, S.; Pápai, I; Repo, T.","Replacing C6F5 groups with Cl and H atoms in frustrated Lewis pairs: H2 additions and catalytic hydrogenations.","Dalton transactions (Cambridge, England : 2003)","2017","46","7","2263","2269","10.1039/c6dt04649e","","","0.71073","MoKα","","0.0368","0.0341","","","0.0842","0.0857","","","","","","1.035","","","","has coordinates","193818","2020-10-21","18:00:00",""
"7041653","12.2677","0.0016","12.8118","0.0017","17.181","0.002","90","","103.489","0.002","90","","2625.9","0.6","296","2","296","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C54 H52 Dy2 N6 O14 -","- C54 H52 Dy2 N6 O14 -","- C108 H104 Dy4 N12 O28 -","2","0.5","","Zhang, Kun; Guo, Fu-Sheng; Wang, Yao-Yu","Two {Dy2} single-molecule magnets formed via an in situ reaction by capturing CO2 from atmosphere under ambient conditions.","Dalton transactions (Cambridge, England : 2003)","2017","46","6","1753","1756","10.1039/c6dt04751c","","","0.71073","MoKα","","0.0516","0.0349","","","0.0842","0.0944","","","","","","1.058","","","","has coordinates","193801","2020-10-21","18:00:00",""
"7041654","12.6016","0.0012","12.8099","0.0012","17.3797","0.0017","90","","106.34","0.001","90","","2692.2","0.4","296","2","296","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C56 H56 Dy2 N6 O14 -","- C56 H56 Dy2 N6 O14 -","- C112 H112 Dy4 N12 O28 -","2","0.5","","Zhang, Kun; Guo, Fu-Sheng; Wang, Yao-Yu","Two {Dy2} single-molecule magnets formed via an in situ reaction by capturing CO2 from atmosphere under ambient conditions.","Dalton transactions (Cambridge, England : 2003)","2017","46","6","1753","1756","10.1039/c6dt04751c","","","0.71073","MoKα","","0.0377","0.029","","","0.0716","0.078","","","","","","1.088","","","","has coordinates","193801","2020-10-21","18:00:00",""
"7041655","15.2441","0.0003","17.0861","0.0005","16.0747","0.0003","90","","90","","90","","4186.85","0.17","153","2","153","2","","","","","","","","3","P n m a","-P 2ac 2n","62","","","","- C44 H72 Ru4 -","- C44 H65 Ru4 -","- C176 H260 Ru16 -","4","0.5","","Kameo, Hajime; Ito, Yutaka; Shimogawa, Ryuichi; Koizumi, Asuka; Chikamori, Hiroki; Fujimoto, Junko; Suzuki, Hiroharu; Takao, Toshiro","Synthesis and characterisation of tetranuclear ruthenium polyhydrido clusters with pseudo-tetrahedral geometry.","Dalton transactions (Cambridge, England : 2003)","2017","46","17","5631","5643","10.1039/c6dt04523e","","","0.71069","MoKα","","0.0272","0.0264","","","0.0692","0.0699","","","","","","1.048","","","","has coordinates","196414","2020-10-21","18:00:00",""
"7041656","16.8721","0.0005","20.1549","0.0006","17.1805","0.0005","90","","93.491","0.007","90","","5831.5","0.3","153","2","153","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C64 H87 B Ru4 -","- C64 H87 B Ru4 -","- C256 H348 B4 Ru16 -","4","1","","Kameo, Hajime; Ito, Yutaka; Shimogawa, Ryuichi; Koizumi, Asuka; Chikamori, Hiroki; Fujimoto, Junko; Suzuki, Hiroharu; Takao, Toshiro","Synthesis and characterisation of tetranuclear ruthenium polyhydrido clusters with pseudo-tetrahedral geometry.","Dalton transactions (Cambridge, England : 2003)","2017","46","17","5631","5643","10.1039/c6dt04523e","","","0.71069","MoKα","","0.0489","0.0368","","","0.0776","0.0816","","","","","","1.068","","","","has coordinates,has disorder","196414","2020-10-21","18:00:00",""
"7041657","11.7868","0.0006","11.7868","0.0006","15.2341","0.0009","90","","90","","90","","2116.5","0.2","123","2","123","2","","","","","","","","5","I -4","I -4","82","","","","- C40 H68 B2 F8 Ru4 -","- C40 H60 B2 F8 Ru4 -","- C80 H120 B4 F16 Ru8 -","2","0.25","","Kameo, Hajime; Ito, Yutaka; Shimogawa, Ryuichi; Koizumi, Asuka; Chikamori, Hiroki; Fujimoto, Junko; Suzuki, Hiroharu; Takao, Toshiro","Synthesis and characterisation of tetranuclear ruthenium polyhydrido clusters with pseudo-tetrahedral geometry.","Dalton transactions (Cambridge, England : 2003)","2017","46","17","5631","5643","10.1039/c6dt04523e","","","0.71069","MoKα","","0.0227","0.0198","","","0.0447","0.0474","","","","","","1.098","","","","has coordinates","196414","2020-10-21","18:00:00",""
"7041658","15.3508","0.0006","17.1336","0.0006","16.1327","0.0006","90","","90","","90","","4243.1","0.3","153","2","153","2","","","","","","","","3","P n m a","-P 2ac 2n","62","","","","- C44 H74 Ru4 -","- C44 H68 Ru4 -","- C176 H272 Ru16 -","4","0.5","","Kameo, Hajime; Ito, Yutaka; Shimogawa, Ryuichi; Koizumi, Asuka; Chikamori, Hiroki; Fujimoto, Junko; Suzuki, Hiroharu; Takao, Toshiro","Synthesis and characterisation of tetranuclear ruthenium polyhydrido clusters with pseudo-tetrahedral geometry.","Dalton transactions (Cambridge, England : 2003)","2017","46","17","5631","5643","10.1039/c6dt04523e","","","0.71069","MoKα","","0.0359","0.0313","","","0.0743","0.0765","","","","","","1.047","","","","has coordinates","196414","2020-10-21","18:00:00",""
"7041659","10.8082","0.0004","10.8464","0.0003","18.0784","0.0007","83.577","0.001","84.298","0.001","66.776","0.001","1931.83","0.12","123","2","123","2","","","","","","","","3","P -1","-P 1","2","","","","- C40 H66 Ru4 -","- C40 H51 Ru4 -","- C80 H102 Ru8 -","2","1","","Kameo, Hajime; Ito, Yutaka; Shimogawa, Ryuichi; Koizumi, Asuka; Chikamori, Hiroki; Fujimoto, Junko; Suzuki, Hiroharu; Takao, Toshiro","Synthesis and characterisation of tetranuclear ruthenium polyhydrido clusters with pseudo-tetrahedral geometry.","Dalton transactions (Cambridge, England : 2003)","2017","46","17","5631","5643","10.1039/c6dt04523e","","","0.71069","MoKα","","0.0471","0.0356","","","0.0942","0.1024","","","","","","1.092","","","","has coordinates,has disorder","196414","2020-10-21","18:00:00",""
"7041660","9.8065","0.0006","11.7319","0.0007","14.686","0.0012","90","","107.874","0.008","90","","1608.1","0.2","123","0.1","123","0.1","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C18 H12 B Cl3 N2 -","- C18 H12 B Cl3 N2 -","- C72 H48 B4 Cl12 N8 -","4","1","","Hurmalainen, Juha; Mansikkamäki, Akseli; Morgan, Ian S.; Peuronen, Anssi; Tuononen, Heikki M.","Synthesis and characterisation of p-block complexes of biquinoline at different ligand charge states.","Dalton transactions (Cambridge, England : 2003)","2017","46","5","1377","1381","10.1039/c6dt04504a","","","1.54184","CuKα","","0.0662","0.0473","","","0.1111","0.1211","","","","","","1.036","","","","has coordinates","191669","2020-10-21","18:00:00",""
"7041661","6.7519","0.0013","7.7698","0.0014","14.179","0.003","86.739","0.015","86.016","0.015","86.206","0.015","739.4","0.3","123","0.1","123","0.1","","","","","","","","5","P -1","-P 1","2","","","","- C18 H12 B Cl2 N2 -","- C18 H12 B Cl2 N2 -","- C36 H24 B2 Cl4 N4 -","2","1","","Hurmalainen, Juha; Mansikkamäki, Akseli; Morgan, Ian S.; Peuronen, Anssi; Tuononen, Heikki M.","Synthesis and characterisation of p-block complexes of biquinoline at different ligand charge states.","Dalton transactions (Cambridge, England : 2003)","2017","46","5","1377","1381","10.1039/c6dt04504a","","x-ray","1.54184","CuKα","","0.0786","0.0603","","","0.1567","0.169","","","","","","1.038","","","","has coordinates","191669","2020-10-21","18:00:00",""
"7041662","21.2523","0.0012","31.159","0.002","18.7101","0.0011","90","","92.117","0.007","90","","12381.4","1.3","200","2","200","2","","","","","","","","7","C 1 2/c 1","-C 2yc","15","[Ni(phen)3]2{[Ni(en)2]V15Sb6O42(H2O)}x19H2O","'[Ni(C12H8N2)3]2{[Ni(C2N2H8)2]V15Sb6O42(H2O)} x 19H2O'","","- C76 H104 N16 Ni3 O62 Sb6 V15 -","- C76 H96 N16 Ni3 O62 Sb6 V15 -","- C304 H384 N64 Ni12 O248 Sb24 V60 -","4","0.5","","Wendt, M.; Polzin, P.; van Leusen, J.; Näther, C; Kögerler, P; Bensch, W.","In situ ligand exchange-mediated 0D/1D transformation of a polyoxovanadate.","Dalton transactions (Cambridge, England : 2003)","2017","46","5","1618","1623","10.1039/c6dt04412c","","","0.71073","MoKα","","0.039","0.0329","","","0.0909","0.0947","","","","","","1.07","","","","has coordinates","191671","2020-10-21","18:00:00",""
"7041663","9.811","0.005","10.14","0.005","13.189","0.007","82.569","0.008","70.262","0.007","87.657","0.007","1224.6","1.1","296","2","296","2","","","","","","","","6","P -1","-P 1","2","","","","- C26 H20 Cl2 Co N4 O4 -","- C26 H20 Cl2 Co N4 O4 -","- C52 H40 Cl4 Co2 N8 O8 -","2","1","","Hao, Shao Yun; Hou, Suo Xia; Van Hecke, Kristof; Cui, Guang Hua","Construction of noninterpenetrating and interpenetrating Co(ii) networks with halogenated carboxylate modulated by auxiliary N-donor co-ligands: structural diversity, electrochemical and photocatalytic properties.","Dalton transactions (Cambridge, England : 2003)","2017","46","6","1951","1964","10.1039/c6dt04516b","","","0.71073","MoKα","","0.1106","0.0592","","","0.1452","0.195","","","","","","0.97","","","","has coordinates","193814","2020-10-21","18:00:00",""
"7041664","20.91","0.003","11.6409","0.0015","12.309","0.0016","90","","116.005","0.002","90","","2692.8","0.6","296","2","296","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C30 H26 Cl2 Co N4 O4 -","- C30 H26 Cl2 Co N4 O4 -","- C120 H104 Cl8 Co4 N16 O16 -","4","0.5","","Hao, Shao Yun; Hou, Suo Xia; Van Hecke, Kristof; Cui, Guang Hua","Construction of noninterpenetrating and interpenetrating Co(ii) networks with halogenated carboxylate modulated by auxiliary N-donor co-ligands: structural diversity, electrochemical and photocatalytic properties.","Dalton transactions (Cambridge, England : 2003)","2017","46","6","1951","1964","10.1039/c6dt04516b","","","0.71073","MoKα","","0.0687","0.043","","","0.0919","0.1028","","","","","","1.032","","","","has coordinates","193814","2020-10-21","18:00:00",""
"7041665","9.7424","0.0007","16.9341","0.0013","18.1411","0.0013","90","","98.617","0.002","90","","2959.1","0.4","296","2","296","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C32 H24 Cl2 Co N4 O4 -","- C32 H24 Cl2 Co N4 O4 -","- C128 H96 Cl8 Co4 N16 O16 -","4","1","","Hao, Shao Yun; Hou, Suo Xia; Van Hecke, Kristof; Cui, Guang Hua","Construction of noninterpenetrating and interpenetrating Co(ii) networks with halogenated carboxylate modulated by auxiliary N-donor co-ligands: structural diversity, electrochemical and photocatalytic properties.","Dalton transactions (Cambridge, England : 2003)","2017","46","6","1951","1964","10.1039/c6dt04516b","","","0.71073","MoKα","","0.076","0.0556","","","0.1227","0.134","","","","","","1.116","","","","has coordinates","193814","2020-10-21","18:00:00",""
"7041666","31.8764","0.0019","10.3125","0.0006","58.334","0.003","90","","104.529","0.003","90","","18562.6","1.8","296","2","296","2","","","","","","","","6","I 1 2/a 1","-I 2ya","15","","","","- C96 H76 Cl6 Co3 N12 O14 -","- C96 H72 Cl6 Co3 N12 O14 -","- C768 H576 Cl48 Co24 N96 O112 -","8","1","","Hao, Shao Yun; Hou, Suo Xia; Van Hecke, Kristof; Cui, Guang Hua","Construction of noninterpenetrating and interpenetrating Co(ii) networks with halogenated carboxylate modulated by auxiliary N-donor co-ligands: structural diversity, electrochemical and photocatalytic properties.","Dalton transactions (Cambridge, England : 2003)","2017","46","6","1951","1964","10.1039/c6dt04516b","","","0.71073","MoKα","","0.0736","0.0529","","","0.1317","0.1437","","","","","","1.039","","","","has coordinates,has disorder","193814","2020-10-21","18:00:00",""
"7041667","21.884","0.006","17.122","0.004","23.362","0.006","90","","103.18","0.03","90","","8523","4","293","2","293","2","","","","","","","","6","I 1 2/c 1","-I 2yc","15","","","","- C47 H41 Cl2 Co N6 O4 -","- C47 H41 Cl2 Co N6 O4 -","- C376 H328 Cl16 Co8 N48 O32 -","8","1","","Hao, Shao Yun; Hou, Suo Xia; Van Hecke, Kristof; Cui, Guang Hua","Construction of noninterpenetrating and interpenetrating Co(ii) networks with halogenated carboxylate modulated by auxiliary N-donor co-ligands: structural diversity, electrochemical and photocatalytic properties.","Dalton transactions (Cambridge, England : 2003)","2017","46","6","1951","1964","10.1039/c6dt04516b","","","0.71073","MoKα","","0.1632","0.0683","","","0.1486","0.1918","","","","","","0.974","","","","has coordinates","193814","2020-10-21","18:00:00",""
"7041668","20.708","0.004","12.429","0.002","13.446","0.002","90","","116.385","0.002","90","","3100.2","0.9","293","2","293","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C34 H28 Cl2 Co N4 O4 -","- C34 H28 Cl2 Co N4 O4 -","- C136 H112 Cl8 Co4 N16 O16 -","4","0.5","","Hao, Shao Yun; Hou, Suo Xia; Van Hecke, Kristof; Cui, Guang Hua","Construction of noninterpenetrating and interpenetrating Co(ii) networks with halogenated carboxylate modulated by auxiliary N-donor co-ligands: structural diversity, electrochemical and photocatalytic properties.","Dalton transactions (Cambridge, England : 2003)","2017","46","6","1951","1964","10.1039/c6dt04516b","","","0.71073","MoKα","","0.0613","0.038","","","0.0891","0.1007","","","","","","1.013","","","","has coordinates","193814","2020-10-21","18:00:00",""
"7041669","15.539","0.005","15.329","0.005","24.985","0.009","90","","101.664","0.007","90","","5828","3","100","2","100","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C54 H106 Al2 Mg2 N6 -","- C54 H106 Al2 Mg2 N6 -","- C216 H424 Al8 Mg8 N24 -","4","0.5","","Schnitzler, S.; Cui, P.; Spaniol, T. P.; Okuda, J.","Molecular magnesium hydrides supported by an anionic triazacyclononane-type ligand.","Dalton transactions (Cambridge, England : 2003)","2017","46","6","1761","1765","10.1039/c6dt04654a","","","0.71073","MoKα","","0.1068","0.0628","","","0.1568","0.1787","","","","","","1.044","","","","has coordinates,has disorder","193815","2020-10-21","18:00:00",""
"7041670","8.0801","0.0011","9.6293","0.0013","11.6216","0.0015","106.203","0.0019","91.124","0.002","110.394","0.0019","807","0.19","100","2","100","2","","","","","","","","4","P -1","-P 1","2","","","","- C30 H62 Mg2 N6 -","- C30 H62 Mg2 N6 -","- C30 H62 Mg2 N6 -","1","0.5","","Schnitzler, S.; Cui, P.; Spaniol, T. P.; Okuda, J.","Molecular magnesium hydrides supported by an anionic triazacyclononane-type ligand.","Dalton transactions (Cambridge, England : 2003)","2017","46","6","1761","1765","10.1039/c6dt04654a","","","0.71073","MoKα","","0.0486","0.0414","","","0.1003","0.1062","","","","","","1.038","","","","has coordinates","193815","2020-10-21","18:00:00",""
"7041671","17.0972","0.001","37.019","0.002","17.7843","0.001","90","","115.169","0.001","90","","10187.4","1","190","1","190","1","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C164 H220 Gd6 N12 Ni7 O80 -","- C164 H220 Gd6 N12 Ni7 O80 -","- C328 H440 Gd12 N24 Ni14 O160 -","2","0.5","","Wang, Shiqing; Yang, Xiaoping; Qian, Jinjie; Li, Qipeng; Chen, Zhongning; Zhang, Lijie; Huang, Shaoming; Wang, Chengri; Jones, Richard A.","Anion dependent self-assembly of sandwich 13-metal Ni-Ln nanoclusters with a long-chain Schiff base ligand.","Dalton transactions (Cambridge, England : 2003)","2017","46","6","1748","1752","10.1039/c6dt03830a","","","0.71073","MoKα","","0.1148","0.0956","","","0.2613","0.2823","","","","","","1.042","","","","has coordinates","193798","2020-10-21","18:00:00",""
"7041672","17.0562","0.0009","37.109","0.002","17.9813","0.001","90","","114.978","0.001","90","","10316.6","1","190","1","190","1","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C160 H208 Dy6 N12 Ni7 O81 -","- C160 H208 Dy6 N12 Ni7 O81 -","- C320 H416 Dy12 N24 Ni14 O162 -","2","0.5","","Wang, Shiqing; Yang, Xiaoping; Qian, Jinjie; Li, Qipeng; Chen, Zhongning; Zhang, Lijie; Huang, Shaoming; Wang, Chengri; Jones, Richard A.","Anion dependent self-assembly of sandwich 13-metal Ni-Ln nanoclusters with a long-chain Schiff base ligand.","Dalton transactions (Cambridge, England : 2003)","2017","46","6","1748","1752","10.1039/c6dt03830a","","","0.71073","MoKα","","0.1203","0.0981","","","0.2614","0.2855","","","","","","1.012","","","","has coordinates","193798","2020-10-21","18:00:00",""
"7041673","19.202","0.003","14.379","0.002","42.671","0.007","90","","98.352","0.002","90","","11657","3","190","1","190","1","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C85.5 H118 Gd4 N8 Ni3 O45.25 -","- C85.5 H118 Gd4 N8 Ni3 O45.25 -","- C342 H472 Gd16 N32 Ni12 O181 -","4","1","","Wang, Shiqing; Yang, Xiaoping; Qian, Jinjie; Li, Qipeng; Chen, Zhongning; Zhang, Lijie; Huang, Shaoming; Wang, Chengri; Jones, Richard A.","Anion dependent self-assembly of sandwich 13-metal Ni-Ln nanoclusters with a long-chain Schiff base ligand.","Dalton transactions (Cambridge, England : 2003)","2017","46","6","1748","1752","10.1039/c6dt03830a","","","0.71073","MoKα","","0.0635","0.0466","","","0.1229","0.1389","","","","","","1.135","","","","has coordinates","193798","2020-10-21","18:00:00",""
"7041674","18.9474","0.0017","14.2777","0.0013","42.613","0.004","90","","97.869","0.001","90","","11419.3","1.8","190","1","190","1","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C85.5 H118 N8 Ni3 O46.5 Tb4 -","- C85.5 H118 N8 Ni3 O46.5 Tb4 -","- C342 H472 N32 Ni12 O186 Tb16 -","4","1","","Wang, Shiqing; Yang, Xiaoping; Qian, Jinjie; Li, Qipeng; Chen, Zhongning; Zhang, Lijie; Huang, Shaoming; Wang, Chengri; Jones, Richard A.","Anion dependent self-assembly of sandwich 13-metal Ni-Ln nanoclusters with a long-chain Schiff base ligand.","Dalton transactions (Cambridge, England : 2003)","2017","46","6","1748","1752","10.1039/c6dt03830a","","","0.71073","MoKα","","0.0707","0.055","","","0.1731","0.2184","","","","","","1.054","","","","has coordinates","193798","2020-10-21","18:00:00",""
"7041675","14.0733","0.0004","14.535","0.0005","15.5037","0.0005","112.47","0.003","101.631","0.002","109.979","0.003","2544.77","0.19","121.9","0.2","121.9","0.2","","","","","","","","7","P -1","-P 1","2","","","","- C75 H102 Cl8 Co6 Ho2 N8 O26 -","- C75 H102 Cl8 Co6 Ho2 N8 O26 -","- C75 H102 Cl8 Co6 Ho2 N8 O26 -","1","0.5","","Zhao, Xiao-Qing; Wang, Jin; Bao, Dong-Xu; Xiang, Shuo; Liu, Ya-Jun; Li, Yun-Chun","The ferromagnetic [Ln2Co6] heterometallic complexes.","Dalton transactions (Cambridge, England : 2003)","2017","46","7","2196","2203","10.1039/c6dt04375e","","","0.7107","MoKα","","0.0448","0.0395","","","0.1043","0.1086","","","","","","1.034","","","","has coordinates,has disorder","193823","2020-10-21","18:00:00",""
"7041676","14.0304","0.0005","14.5043","0.0005","15.4525","0.0007","112.538","0.004","101.249","0.003","110.012","0.003","2528.9","0.2","121","1","121","1","","","","","","","","7","P -1","-P 1","2","Y2Co6C75H102N8O26Cl8","","","- C75 H102 Cl8 Co6 N8 O26 Y2 -","- C75 H102 Cl8 Co6 N8 O26 Y2 -","- C75 H102 Cl8 Co6 N8 O26 Y2 -","1","0.5","","Zhao, Xiao-Qing; Wang, Jin; Bao, Dong-Xu; Xiang, Shuo; Liu, Ya-Jun; Li, Yun-Chun","The ferromagnetic [Ln2Co6] heterometallic complexes.","Dalton transactions (Cambridge, England : 2003)","2017","46","7","2196","2203","10.1039/c6dt04375e","","","0.7107","MoKα","","0.0563","0.0449","","","0.1222","0.1303","","","","","","1.041","","","","has coordinates,has disorder","193823","2020-10-21","18:00:00",""
"7041677","14.1416","0.0003","14.4081","0.0004","15.5303","0.0004","112.142","0.002","100.552","0.002","111.525","0.002","2529.78","0.14","121.1","0.2","121.1","0.2","","","","","","","","7","P -1","-P 1","2","","","","- C74.5 H101 Cl7 Co6 Dy2 N8 O26 -","- C74.5 H100 Cl7 Co6 Dy2 N8 O26 -","- C74.5 H100 Cl7 Co6 Dy2 N8 O26 -","1","0.5","","Zhao, Xiao-Qing; Wang, Jin; Bao, Dong-Xu; Xiang, Shuo; Liu, Ya-Jun; Li, Yun-Chun","The ferromagnetic [Ln2Co6] heterometallic complexes.","Dalton transactions (Cambridge, England : 2003)","2017","46","7","2196","2203","10.1039/c6dt04375e","","","0.7107","MoKα","","0.0428","0.0363","","","0.0874","0.092","","","","","","1.052","","","","has coordinates,has disorder","193823","2020-10-21","18:00:00",""
"7041678","14.11","0.0006","14.4733","0.0007","15.5524","0.0007","112.443","0.004","101.304","0.004","110.312","0.004","2547.6","0.3","122.2","0.3","122.2","0.3","","","","","","","","7","P -1","-P 1","2","","","","- C75 H102 Cl8 Co6 Gd2 N8 O26 -","- C75 H102 Cl8 Co6 Gd2 N8 O26 -","- C75 H102 Cl8 Co6 Gd2 N8 O26 -","1","0.5","","Zhao, Xiao-Qing; Wang, Jin; Bao, Dong-Xu; Xiang, Shuo; Liu, Ya-Jun; Li, Yun-Chun","The ferromagnetic [Ln2Co6] heterometallic complexes.","Dalton transactions (Cambridge, England : 2003)","2017","46","7","2196","2203","10.1039/c6dt04375e","","","0.7107","MoKα","","0.0471","0.0406","","","0.0997","0.1045","","","","","","1.046","","","","has coordinates,has disorder","193823","2020-10-21","18:00:00",""
"7041679","26.888","0.003","26.888","0.003","7.2385","0.0007","90","","90","","120","","4532.1","0.8","296","2","296.15","","","","","","","","","5","R -3","-R 3","148","","","","- C14 H16 Cd2 N2 O8 -","- C14 H16 Cd2 N2 O8 -","- C126 H144 Cd18 N18 O72 -","9","","","Zheng, Tian-Tian; Zhao, Jiao; Fang, Zhou-Wen; Li, Meng-Ting; Sun, Chun-Yi; Li, Xiao; Wang, Xin-Long; Su, Zhong-Min","A luminescent metal organic framework with high sensitivity for detecting and removing copper ions from simulated biological fluids.","Dalton transactions (Cambridge, England : 2003)","2017","46","8","2456","2461","10.1039/c6dt04630d","","","0.71073","MoKα","","0.0509","0.0409","","","0.1128","0.1184","","","","","","1.066","","","","has coordinates,has disorder","193780","2020-10-21","18:00:00",""
"7041680","8.3497","0.0004","8.4147","0.0004","16.2518","0.0007","90.425","0.002","101.331","0.002","118.21","0.002","979.94","0.08","293","2","293","2","","","","","","","","6","P -1","-P 1","2","","","","- C15 H22 Cd N6 O S2 -","- C15 H22 Cd N6 O S2 -","- C30 H44 Cd2 N12 O2 S4 -","2","1","","Purkait, Suranjana; Aullón, Gabriel; Zangrando, Ennio; Chakraborty, Prateeti","Group 12 metal complexes of (2-piperazine-1-yl-ethyl)-pyridin-2-yl-methylene-amine: rare participation of terminal piperazine N in coordination leads to structural diversity.","Dalton transactions (Cambridge, England : 2003)","2017","46","7","2184","2195","10.1039/c6dt04578b","","","0.71073","MoKα","","0.0483","0.0405","","","0.1069","0.1108","","","","","","1.085","","","","has coordinates","193817","2020-10-21","18:00:00",""
"7041681","8.246","0.005","8.486","0.005","14.876","0.005","106.014","0.005","97.668","0.005","103.406","0.005","951.4","0.9","293","2","293","2","","","","","","","","6","P -1","-P 1","2","","","","- C24 H41 Cl7 N8 O2 Zn3 -","- C24 H41 Cl7 N8 O2 Zn3 -","- C24 H41 Cl7 N8 O2 Zn3 -","1","0.5","","Purkait, Suranjana; Aullón, Gabriel; Zangrando, Ennio; Chakraborty, Prateeti","Group 12 metal complexes of (2-piperazine-1-yl-ethyl)-pyridin-2-yl-methylene-amine: rare participation of terminal piperazine N in coordination leads to structural diversity.","Dalton transactions (Cambridge, England : 2003)","2017","46","7","2184","2195","10.1039/c6dt04578b","","","0.71073","MoKα","","0.0534","0.0466","","","0.1352","0.1416","","","","","","1.039","","","","has coordinates,has disorder","193817","2020-10-21","18:00:00",""
"7041682","8.5501","0.0012","19.785","0.003","12.1626","0.0016","90","","91.534","0.002","90","","2056.7","0.5","296","2","296","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C18 H21 Cl2 Hg N5 O -","- C18 H21 Cl2 Hg N5 O -","- C72 H84 Cl8 Hg4 N20 O4 -","4","1","","Purkait, Suranjana; Aullón, Gabriel; Zangrando, Ennio; Chakraborty, Prateeti","Group 12 metal complexes of (2-piperazine-1-yl-ethyl)-pyridin-2-yl-methylene-amine: rare participation of terminal piperazine N in coordination leads to structural diversity.","Dalton transactions (Cambridge, England : 2003)","2017","46","7","2184","2195","10.1039/c6dt04578b","","","0.71073","MoKα","","0.0588","0.0334","","","0.0678","0.0765","","","","","","1.005","","","","has coordinates","193817","2020-10-21","18:00:00",""
"7041683","16.352","0.003","16.352","0.003","10.8897","0.0016","90","","90","","120","","2521.7","0.8","100","2","100","2","","","","","","","","5","R -3 c","-R 3 2""c","167","","","","- C15 H21 Fe Li O6 -","- C15 H21 Fe Li O6 -","- C90 H126 Fe6 Li6 O36 -","6","","","Han, Haixiang; Wei, Zheng; Barry, Matthew C.; Filatov, Alexander S.; Dikarev, Evgeny V.","Heterometallic molecular precursors for a lithium-iron oxide material: synthesis, solid state structure, solution and gas-phase behaviour, and thermal decomposition.","Dalton transactions (Cambridge, England : 2003)","2017","46","17","5644","5649","10.1039/c6dt04602a","","","0.71073","MoKα","","0.0328","0.0255","","","0.0609","0.0634","","","","","","1.073","","","","has coordinates","196398","2020-10-21","18:00:00",""
"7041684","11.556","0.005","12.211","0.005","12.471","0.005","103.66","0.005","106.731","0.005","111.403","0.005","1449.6","1","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","","","- C48 H78 Li2 Mg2 O18 -","- C48 H78 Li2 Mg2 O18 -","- C48 H78 Li2 Mg2 O18 -","1","0.5","","Han, Haixiang; Wei, Zheng; Barry, Matthew C.; Filatov, Alexander S.; Dikarev, Evgeny V.","Heterometallic molecular precursors for a lithium-iron oxide material: synthesis, solid state structure, solution and gas-phase behaviour, and thermal decomposition.","Dalton transactions (Cambridge, England : 2003)","2017","46","17","5644","5649","10.1039/c6dt04602a","","","0.71073","Mo-Kα","","0.0801","0.0503","","","0.1284","0.1439","","","","","","1.032","","","","has coordinates","196398","2020-10-21","18:00:00",""
"7041685","9.709","0.0008","17.0101","0.0014","17.5059","0.0015","90","","101.082","0.002","90","","2837.2","0.4","100","2","100","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C48 H78 Mg3 O18 -","- C48 H78 Mg3 O18 -","- C96 H156 Mg6 O36 -","2","0.5","","Han, Haixiang; Wei, Zheng; Barry, Matthew C.; Filatov, Alexander S.; Dikarev, Evgeny V.","Heterometallic molecular precursors for a lithium-iron oxide material: synthesis, solid state structure, solution and gas-phase behaviour, and thermal decomposition.","Dalton transactions (Cambridge, England : 2003)","2017","46","17","5644","5649","10.1039/c6dt04602a","","","0.71073","MoKα","","0.0879","0.0473","","","0.095","0.1089","","","","","","1.03","","","","has coordinates","196398","2020-10-21","18:00:00",""
"7041686","11.643","0.002","12.253","0.002","12.534","0.002","103.777","0.002","106.65","0.002","111.299","0.002","1474.2","0.4","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","","","- C48 H78 Fe2 Li2 O18 -","- C48 H78 Fe2 Li2 O18 -","- C48 H78 Fe2 Li2 O18 -","1","0.5","","Han, Haixiang; Wei, Zheng; Barry, Matthew C.; Filatov, Alexander S.; Dikarev, Evgeny V.","Heterometallic molecular precursors for a lithium-iron oxide material: synthesis, solid state structure, solution and gas-phase behaviour, and thermal decomposition.","Dalton transactions (Cambridge, England : 2003)","2017","46","17","5644","5649","10.1039/c6dt04602a","","","0.71073","MoKα","","0.0371","0.0324","","","0.0814","0.0848","","","","","","1.059","","","","has coordinates","196398","2020-10-21","18:00:00",""
"7041687","11.3877","0.0011","11.8362","0.0011","11.972","0.0011","91.399","0.002","113.519","0.002","100.038","0.002","1449.1","0.2","100","2","100","2","","","","","","","","6","P -1","-P 1","2","","","","- C48 H60 F18 Fe2 Li2 O12 -","- C48 H60 F18 Fe2 Li2 O12 -","- C48 H60 F18 Fe2 Li2 O12 -","1","0.5","","Han, Haixiang; Wei, Zheng; Barry, Matthew C.; Filatov, Alexander S.; Dikarev, Evgeny V.","Heterometallic molecular precursors for a lithium-iron oxide material: synthesis, solid state structure, solution and gas-phase behaviour, and thermal decomposition.","Dalton transactions (Cambridge, England : 2003)","2017","46","17","5644","5649","10.1039/c6dt04602a","","","0.71073","MoKα","","0.0637","0.0487","","","0.1104","0.1189","","","","","","1.057","","","","has coordinates,has disorder","196398","2020-10-21","18:00:00",""
"7041688","10.497","0.0001","11.748","0.0001","30.043","0.0004","90","","90","","90","","3704.87","0.07","150","2","150","2","","","","","","","","7","P 21 21 21","P 2ac 2ab","19","","","","- C45 H38 Fe N2 O P2 Pt -","- C45 H38 Fe N2 O P2 Pt -","- C180 H152 Fe4 N8 O4 P8 Pt4 -","4","1","","Shahsavari, Hamid R.; Fereidoonnezhad, Masood; Niazi, Maryam; Mosavi, S. Talaat; Habib Kazemi, Sayed; Kia, Reza; Shirkhan, Shima; Abdollahi Aghdam, Siamak; Raithby, Paul R.","Cyclometalated platinum(ii) complexes of 2,2'-bipyridine N-oxide containing a 1,1'-bis(diphenylphosphino)ferrocene ligand: structural, computational and electrochemical studies.","Dalton transactions (Cambridge, England : 2003)","2017","46","6","2013","2022","10.1039/c6dt04085c","","","0.71073","MoKα","","0.0727","0.0466","","","0.0927","0.1033","","","","","","1.04","","","","has coordinates","193802","2020-10-21","18:00:00",""
"7041689","11.1085","0.0004","11.6937","0.0004","12.1298","0.0004","69.906","0.002","63.919","0.002","62.296","0.002","1233.64","0.08","100","2","100","2","","","","","","","","6","P -1","-P 1","2","","","","- C22 H24 Mn2 N2 O6 S2 -","- C22 H24 Mn2 N2 O6 S2 -","- C44 H48 Mn4 N4 O12 S4 -","2","1","","Beltrán, Tomás F; Zaragoza, Guillermo; Delaude, Lionel","Mono- and bimetallic manganese-carbonyl complexes and clusters bearing imidazol(in)ium-2-dithiocarboxylate ligands.","Dalton transactions (Cambridge, England : 2003)","2017","46","6","1779","1788","10.1039/c6dt04780g","","x-ray","0.7107","MoKα","","0.0231","0.0197","","","0.0494","0.0506","","","","","","1.039","","","","has coordinates","193813","2020-10-21","18:00:00",""
"7041690","14.5947","0.0004","10.6565","0.0003","18.7588","0.0006","90","","97.837","0.002","90","","2890.28","0.15","100","2","100","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C28 H26 Mn2 N2 O6 S2 -","- C28 H26 Mn2 N2 O6 S2 -","- C112 H104 Mn8 N8 O24 S8 -","4","1","","Beltrán, Tomás F; Zaragoza, Guillermo; Delaude, Lionel","Mono- and bimetallic manganese-carbonyl complexes and clusters bearing imidazol(in)ium-2-dithiocarboxylate ligands.","Dalton transactions (Cambridge, England : 2003)","2017","46","6","1779","1788","10.1039/c6dt04780g","","x-ray","0.7107","MoKα","","0.0485","0.0313","","","0.0636","0.0698","","","","","","1.028","","","","has coordinates","193813","2020-10-21","18:00:00",""
"7041691","11.5907","0.0013","17.763","0.002","17.955","0.002","90","","91.522","0.01","90","","3695.4","0.7","100","2","100","2","","","","","","","","8","P 1 21/n 1","-P 2yn","14","","","","- C65 H82 Br2 Cl6 Mn2 N4 O6 S4 -","- C65 H82 Br2 Cl6 Mn2 N4 O6 S4 -","- C130 H164 Br4 Cl12 Mn4 N8 O12 S8 -","2","0.5","","Beltrán, Tomás F; Zaragoza, Guillermo; Delaude, Lionel","Mono- and bimetallic manganese-carbonyl complexes and clusters bearing imidazol(in)ium-2-dithiocarboxylate ligands.","Dalton transactions (Cambridge, England : 2003)","2017","46","6","1779","1788","10.1039/c6dt04780g","","x-ray","0.7107","MoKα","","0.0501","0.034","","","0.0818","0.088","","","","","","1.019","","","","has coordinates,has disorder","193813","2020-10-21","18:00:00",""
"7041692","10.3812","0.0005","19.7434","0.0008","15.7821","0.0007","90","","90","","90","","3234.7","0.2","100","2","100","2","","","","","","","","7","P b c n","-P 2n 2ab","60","","","","- C31 H36 Br Mn N2 O3 S2 -","- C31 H36 Br Mn N2 O3 S2 -","- C124 H144 Br4 Mn4 N8 O12 S8 -","4","0.5","","Beltrán, Tomás F; Zaragoza, Guillermo; Delaude, Lionel","Mono- and bimetallic manganese-carbonyl complexes and clusters bearing imidazol(in)ium-2-dithiocarboxylate ligands.","Dalton transactions (Cambridge, England : 2003)","2017","46","6","1779","1788","10.1039/c6dt04780g","","x-ray","0.7107","MoKα","","0.0935","0.0542","","","0.1276","0.1462","","","","","","1.02","","","","has coordinates,has disorder","193813","2020-10-21","18:00:00",""
"7041693","38.0525","0.0012","11.428","0.0004","16.6104","0.0006","90","","90","","90","","7223.3","0.4","100","2","100","2","","","","","","","","7","A e a 2","A 2 -2ab","41","","","","- C69 H74 Cl2 Mn4 N4 O12 S4 -","- C69 H74 Cl2 Mn4 N4 O12 S4 -","- C276 H296 Cl8 Mn16 N16 O48 S16 -","4","0.5","","Beltrán, Tomás F; Zaragoza, Guillermo; Delaude, Lionel","Mono- and bimetallic manganese-carbonyl complexes and clusters bearing imidazol(in)ium-2-dithiocarboxylate ligands.","Dalton transactions (Cambridge, England : 2003)","2017","46","6","1779","1788","10.1039/c6dt04780g","","x-ray","0.7107","MoKα","","0.0475","0.0368","","","0.0689","0.0721","","","","","","0.982","","","","has coordinates","193813","2020-10-21","18:00:00",""
"7041694","38.3937","0.0013","11.4255","0.0004","16.4614","0.0006","90","","90","","90","","7221.1","0.4","100","2","100","2","","","","","","","","7","A e a 2","A 2 -2ab","41","","","","- C69 H78 Cl2 Mn4 N4 O12 S4 -","- C69 H78 Cl2 Mn4 N4 O12 S4 -","- C276 H312 Cl8 Mn16 N16 O48 S16 -","4","0.5","","Beltrán, Tomás F; Zaragoza, Guillermo; Delaude, Lionel","Mono- and bimetallic manganese-carbonyl complexes and clusters bearing imidazol(in)ium-2-dithiocarboxylate ligands.","Dalton transactions (Cambridge, England : 2003)","2017","46","6","1779","1788","10.1039/c6dt04780g","","x-ray","0.7107","MoKα","","0.0479","0.0388","","","0.0782","0.0819","","","","","","1.021","","","","has coordinates","193813","2020-10-21","18:00:00",""
"7041695","16.2293","0.0011","10.281","0.0007","16.2491","0.0012","90","","104.615","0.002","90","","2623.5","0.3","100","2","100","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C25 H26 Br Mn N2 O3 S2 -","- C25 H26 Br Mn N2 O3 S2 -","- C100 H104 Br4 Mn4 N8 O12 S8 -","4","1","","Beltrán, Tomás F; Zaragoza, Guillermo; Delaude, Lionel","Mono- and bimetallic manganese-carbonyl complexes and clusters bearing imidazol(in)ium-2-dithiocarboxylate ligands.","Dalton transactions (Cambridge, England : 2003)","2017","46","6","1779","1788","10.1039/c6dt04780g","","x-ray","0.7107","MoKα","","0.1123","0.0544","","","0.1049","0.1229","","","","","","1.01","","","","has coordinates","193813","2020-10-21","18:00:00",""
"7041696","34.685","0.005","10.1483","0.0014","19.747","0.003","90","","91.512","0.003","90","","6948.4","1.7","100","2","100","2","","","","","","","","7","C 1 2/c 1","-C 2yc","15","","","","- C28 H21 B Cl6 N9 O5 Tb -","- C28 H21 B Cl6 N9 O5 Tb -","- C224 H168 B8 Cl48 N72 O40 Tb8 -","8","1","","Mikhalyova, Elena A.; Yakovenko, Anastasiya V.; Zeller, Matthias; Gavrilenko, Konstantin S.; Kiskin, Mikhail A.; Smola, Sergey S.; Dotsenko, Vladimir P.; Eremenko, Igor L.; Addison, Anthony W.; Pavlishchuk, Vitaly V.","Crystal structures and intense luminescence of tris(3-(2'-pyridyl)-pyrazolyl)borate Tb(3+) and Eu(3+) complexes with carboxylate co-ligands.","Dalton transactions (Cambridge, England : 2003)","2017","46","11","3457","3469","10.1039/c6dt04757b","","","0.71073","MoKα","","0.0636","0.0356","","","0.0745","0.0829","","","","","","1","","","","has coordinates,has disorder","195095","2020-10-21","18:00:00",""
"7041697","41.836","0.005","10.1087","0.0013","19.224","0.002","90","","91.616","0.002","90","","8126.7","1.7","100","2","100","2","","","","","","","","7","C 1 2/c 1","-C 2yc","15","","","","- C40 H24 B F10 N10 O5 Tb -","- C40 H24 B F10 N10 O5 Tb -","- C320 H192 B8 F80 N80 O40 Tb8 -","8","1","","Mikhalyova, Elena A.; Yakovenko, Anastasiya V.; Zeller, Matthias; Gavrilenko, Konstantin S.; Kiskin, Mikhail A.; Smola, Sergey S.; Dotsenko, Vladimir P.; Eremenko, Igor L.; Addison, Anthony W.; Pavlishchuk, Vitaly V.","Crystal structures and intense luminescence of tris(3-(2'-pyridyl)-pyrazolyl)borate Tb(3+) and Eu(3+) complexes with carboxylate co-ligands.","Dalton transactions (Cambridge, England : 2003)","2017","46","11","3457","3469","10.1039/c6dt04757b","","","0.71073","MoKα","","0.0731","0.0593","","","0.1221","0.1291","","","","","","1.158","","","","has coordinates,has disorder","195095","2020-10-21","18:00:00",""
"7041698","20.2","0.003","20.33","0.003","10.5545","0.0014","90","","90","","90","","4334.4","1.1","100","2","100","2","","","","","","","","6","P n m a","-P 2ac 2n","62","","","","- C46 H51 B N9 O5 Tb -","- C46 H51 B N9 O5 Tb -","- C184 H204 B4 N36 O20 Tb4 -","4","0.5","","Mikhalyova, Elena A.; Yakovenko, Anastasiya V.; Zeller, Matthias; Gavrilenko, Konstantin S.; Kiskin, Mikhail A.; Smola, Sergey S.; Dotsenko, Vladimir P.; Eremenko, Igor L.; Addison, Anthony W.; Pavlishchuk, Vitaly V.","Crystal structures and intense luminescence of tris(3-(2'-pyridyl)-pyrazolyl)borate Tb(3+) and Eu(3+) complexes with carboxylate co-ligands.","Dalton transactions (Cambridge, England : 2003)","2017","46","11","3457","3469","10.1039/c6dt04757b","","","0.71073","MoKα","","0.0331","0.0268","","","0.0577","0.0607","","","","","","1.018","","","","has coordinates","195095","2020-10-21","18:00:00",""
"7041699","11.0068","0.0017","17.106","0.003","19.108","0.003","90","","102.36","0.002","90","","3514.3","1","100","2","100","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C38 H31 B Eu N9 O5 -","- C38 H31 B Eu N9 O5 -","- C152 H124 B4 Eu4 N36 O20 -","4","1","","Mikhalyova, Elena A.; Yakovenko, Anastasiya V.; Zeller, Matthias; Gavrilenko, Konstantin S.; Kiskin, Mikhail A.; Smola, Sergey S.; Dotsenko, Vladimir P.; Eremenko, Igor L.; Addison, Anthony W.; Pavlishchuk, Vitaly V.","Crystal structures and intense luminescence of tris(3-(2'-pyridyl)-pyrazolyl)borate Tb(3+) and Eu(3+) complexes with carboxylate co-ligands.","Dalton transactions (Cambridge, England : 2003)","2017","46","11","3457","3469","10.1039/c6dt04757b","","","0.71073","MoKα","","0.0561","0.038","","","0.0728","0.0821","","","","","","1.022","","","","has coordinates","195095","2020-10-21","18:00:00",""
"7041700","11.02","0.002","11.302","0.002","13.191","0.002","71.532","0.002","84.415","0.002","73.285","0.002","1492.4","0.4","100","2","100","2","","","","","","","","7","P -1","-P 1","2","","","","- C26 H28 B Cl2 N10 O3 Tb -","- C26 H28 B Cl2 N10 O3 Tb -","- C52 H56 B2 Cl4 N20 O6 Tb2 -","2","1","","Mikhalyova, Elena A.; Yakovenko, Anastasiya V.; Zeller, Matthias; Gavrilenko, Konstantin S.; Kiskin, Mikhail A.; Smola, Sergey S.; Dotsenko, Vladimir P.; Eremenko, Igor L.; Addison, Anthony W.; Pavlishchuk, Vitaly V.","Crystal structures and intense luminescence of tris(3-(2'-pyridyl)-pyrazolyl)borate Tb(3+) and Eu(3+) complexes with carboxylate co-ligands.","Dalton transactions (Cambridge, England : 2003)","2017","46","11","3457","3469","10.1039/c6dt04757b","","","0.71073","MoKα","","0.0175","0.0166","","","0.0405","0.0413","","","","","","1.062","","","","has coordinates","195095","2020-10-21","18:00:00",""
"7041701","10.9879","0.0016","17.059","0.002","19.061","0.003","90","","102.377","0.002","90","","3489.8","0.9","100","2","100","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C38 H31 B N9 O5 Tb -","- C38 H31 B N9 O5 Tb -","- C152 H124 B4 N36 O20 Tb4 -","4","1","","Mikhalyova, Elena A.; Yakovenko, Anastasiya V.; Zeller, Matthias; Gavrilenko, Konstantin S.; Kiskin, Mikhail A.; Smola, Sergey S.; Dotsenko, Vladimir P.; Eremenko, Igor L.; Addison, Anthony W.; Pavlishchuk, Vitaly V.","Crystal structures and intense luminescence of tris(3-(2'-pyridyl)-pyrazolyl)borate Tb(3+) and Eu(3+) complexes with carboxylate co-ligands.","Dalton transactions (Cambridge, England : 2003)","2017","46","11","3457","3469","10.1039/c6dt04757b","","","0.71073","MoKα","","0.0557","0.0378","","","0.0737","0.0831","","","","","","1.02","","","","has coordinates","195095","2020-10-21","18:00:00",""
"7041702","12.4495","0.0018","13.516","0.003","13.5291","0.0019","111.528","0.003","116.559","0.002","94.384","0.003","1813.4","0.5","100","2","100","2","","","","","","","","6","P -1","-P 1","2","","","","- C66 H73.94 B2 Eu2 N18 O16.97 -","- C66 H73.944 B2 Eu2 N18 O16.972 -","- C66 H73.944 B2 Eu2 N18 O16.972 -","1","0.5","","Mikhalyova, Elena A.; Yakovenko, Anastasiya V.; Zeller, Matthias; Gavrilenko, Konstantin S.; Kiskin, Mikhail A.; Smola, Sergey S.; Dotsenko, Vladimir P.; Eremenko, Igor L.; Addison, Anthony W.; Pavlishchuk, Vitaly V.","Crystal structures and intense luminescence of tris(3-(2'-pyridyl)-pyrazolyl)borate Tb(3+) and Eu(3+) complexes with carboxylate co-ligands.","Dalton transactions (Cambridge, England : 2003)","2017","46","11","3457","3469","10.1039/c6dt04757b","","","0.71073","MoKα","","0.0498","0.0427","","","0.0999","0.1047","","","","","","1.121","","","","has coordinates,has disorder","195095","2020-10-21","18:00:00",""
"7041703","12.6396","0.0017","16.896","0.002","18.914","0.003","107.371","0.0018","108.312","0.0018","96.3428","0.0019","3565.6","0.9","100","2","100","2","","","","","","","","8","P -1","-P 1","2","","","","- C29 H22 B Cl3 Eu F6 N9 O5 -","- C29.0005 H22.0005 B Cl3.0015 Eu F6 N9 O5 -","- C116.002 H88.002 B4 Cl12.006 Eu4 F24 N36 O20 -","4","2","","Mikhalyova, Elena A.; Yakovenko, Anastasiya V.; Zeller, Matthias; Gavrilenko, Konstantin S.; Kiskin, Mikhail A.; Smola, Sergey S.; Dotsenko, Vladimir P.; Eremenko, Igor L.; Addison, Anthony W.; Pavlishchuk, Vitaly V.","Crystal structures and intense luminescence of tris(3-(2'-pyridyl)-pyrazolyl)borate Tb(3+) and Eu(3+) complexes with carboxylate co-ligands.","Dalton transactions (Cambridge, England : 2003)","2017","46","11","3457","3469","10.1039/c6dt04757b","","","0.71073","MoKα","","0.0558","0.0412","","","0.1014","0.1117","","","","","","1.026","","","","has coordinates,has disorder","195095","2020-10-21","18:00:00",""
"7041704","10.89","0.003","10.788","0.003","37.304","0.01","90","","95.139","0.004","90","","4365","2","296","2","296","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C47 H37 B Cl2 N9 O5 Tb -","- C47 H35 B Cl2 N9 O5 Tb -","- C188 H140 B4 Cl8 N36 O20 Tb4 -","4","1","","Mikhalyova, Elena A.; Yakovenko, Anastasiya V.; Zeller, Matthias; Gavrilenko, Konstantin S.; Kiskin, Mikhail A.; Smola, Sergey S.; Dotsenko, Vladimir P.; Eremenko, Igor L.; Addison, Anthony W.; Pavlishchuk, Vitaly V.","Crystal structures and intense luminescence of tris(3-(2'-pyridyl)-pyrazolyl)borate Tb(3+) and Eu(3+) complexes with carboxylate co-ligands.","Dalton transactions (Cambridge, England : 2003)","2017","46","11","3457","3469","10.1039/c6dt04757b","","","0.71073","MoKα","","0.0741","0.0512","","","0.1203","0.1325","","","","","","1.072","","","","has coordinates","195095","2020-10-21","18:00:00",""
"7041705","34.66","0.005","10.1788","0.0016","19.762","0.003","90","","91.301","0.002","90","","6970.2","1.8","100","2","100","2","","","","","","","","7","C 1 2/c 1","-C 2yc","15","","","","- C28 H21 B Cl6 Eu N9 O5 -","- C28 H21 B Cl6 Eu N9 O5 -","- C224 H168 B8 Cl48 Eu8 N72 O40 -","8","1","","Mikhalyova, Elena A.; Yakovenko, Anastasiya V.; Zeller, Matthias; Gavrilenko, Konstantin S.; Kiskin, Mikhail A.; Smola, Sergey S.; Dotsenko, Vladimir P.; Eremenko, Igor L.; Addison, Anthony W.; Pavlishchuk, Vitaly V.","Crystal structures and intense luminescence of tris(3-(2'-pyridyl)-pyrazolyl)borate Tb(3+) and Eu(3+) complexes with carboxylate co-ligands.","Dalton transactions (Cambridge, England : 2003)","2017","46","11","3457","3469","10.1039/c6dt04757b","","","0.71073","MoKα","","0.0567","0.0356","","","0.0731","0.0801","","","","","","1.024","","","","has coordinates,has disorder","195095","2020-10-21","18:00:00",""
"7041706","12.432","0.003","13.512","0.003","13.553","0.003","111.837","0.003","116.813","0.003","94.321","0.004","1803","0.7","100","2","100","2","","","","","","","","6","P -1","-P 1","2","","","","- C66 H74.17 B2 N18 O17.08 Tb2 -","- C66 H74.168 B2 N18 O17.084 Tb2 -","- C66 H74.168 B2 N18 O17.084 Tb2 -","1","0.5","","Mikhalyova, Elena A.; Yakovenko, Anastasiya V.; Zeller, Matthias; Gavrilenko, Konstantin S.; Kiskin, Mikhail A.; Smola, Sergey S.; Dotsenko, Vladimir P.; Eremenko, Igor L.; Addison, Anthony W.; Pavlishchuk, Vitaly V.","Crystal structures and intense luminescence of tris(3-(2'-pyridyl)-pyrazolyl)borate Tb(3+) and Eu(3+) complexes with carboxylate co-ligands.","Dalton transactions (Cambridge, England : 2003)","2017","46","11","3457","3469","10.1039/c6dt04757b","","","0.71073","MoKα","","0.0635","0.0561","","","0.1312","0.1373","","","","","","1.115","","","","has coordinates,has disorder","195095","2020-10-21","18:00:00",""
"7041707","10.2625","0.0017","14.111","0.002","15.447","0.003","72.703","0.002","78.079","0.002","89.279","0.002","2086.9","0.6","100","2","100","2","","","","","","","","6","P -1","-P 1","2","","","","- C41 H47 B N9 O5 Tb -","- C41 H47 B N9 O5 Tb -","- C82 H94 B2 N18 O10 Tb2 -","2","1","","Mikhalyova, Elena A.; Yakovenko, Anastasiya V.; Zeller, Matthias; Gavrilenko, Konstantin S.; Kiskin, Mikhail A.; Smola, Sergey S.; Dotsenko, Vladimir P.; Eremenko, Igor L.; Addison, Anthony W.; Pavlishchuk, Vitaly V.","Crystal structures and intense luminescence of tris(3-(2'-pyridyl)-pyrazolyl)borate Tb(3+) and Eu(3+) complexes with carboxylate co-ligands.","Dalton transactions (Cambridge, England : 2003)","2017","46","11","3457","3469","10.1039/c6dt04757b","","","0.71073","MoKα","","0.035","0.0282","","","0.0649","0.0689","","","","","","1.057","","","","has coordinates,has disorder","195095","2020-10-21","18:00:00",""
"7041708","10.9264","0.001","10.8115","0.0009","37.345","0.003","90","","94.854","0.001","90","","4395.8","0.6","296","2","296","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C46.9 H36.8 B Cl1.8 Eu N9 O5 -","- C46.9 H34.8 B Cl1.8 Eu N9 O5 -","- C187.6 H139.2 B4 Cl7.2 Eu4 N36 O20 -","4","1","","Mikhalyova, Elena A.; Yakovenko, Anastasiya V.; Zeller, Matthias; Gavrilenko, Konstantin S.; Kiskin, Mikhail A.; Smola, Sergey S.; Dotsenko, Vladimir P.; Eremenko, Igor L.; Addison, Anthony W.; Pavlishchuk, Vitaly V.","Crystal structures and intense luminescence of tris(3-(2'-pyridyl)-pyrazolyl)borate Tb(3+) and Eu(3+) complexes with carboxylate co-ligands.","Dalton transactions (Cambridge, England : 2003)","2017","46","11","3457","3469","10.1039/c6dt04757b","","","0.71073","MoKα","","0.0722","0.048","","","0.1145","0.1272","","","","","","0.952","","","","has coordinates","195095","2020-10-21","18:00:00",""
"7041709","25.243","0.005","25.508","0.004","11.501","0.003","90","","90","","90","","7405","3","170","2","170","2","","","","","","","","5","P n a 21","P 2c -2n","33","Tetra(n-butyl)ammonium bis(phthalocyaninato)samarate(III)] Methanole Solvate","","","- C81 H72 N17 O Sm -","- C81 H68 N17 O Sm -","- C324 H272 N68 O4 Sm4 -","4","1","","Rok, M.; Prytys, J. K.; Kinzhybalo, V.; Bator, G.","Flexible crystals of perovskite-like coordination polymers with a tunable and switchable organic guest: (CH3NH3)2[KFe(CN)6] and (CH3NH3)2[KCo(CN)6].","Dalton transactions (Cambridge, England : 2003)","2017","46","7","2322","2331","10.1039/c6dt03915d","","","0.71069","MoKα","","0.0909","0.0471","","","0.1347","0.1514","","","","","","1.012","","","","has coordinates","193826","2020-10-21","18:00:00",""
"7041710","11.38833","0.00018","11.38833","0.00018","11.38833","0.00018","90","","90","","90","","1477","0.04","443","2","443.15","","","","","","","","","5","F m -3 m","-F 4 2 3","225","","","","- C8 H12 Co K N8 -","- C8 H12 Co K N8 -","- C32 H48 Co4 K4 N32 -","4","0.0208333","","Rok, M.; Prytys, J. K.; Kinzhybalo, V.; Bator, G.","Flexible crystals of perovskite-like coordination polymers with a tunable and switchable organic guest: (CH3NH3)2[KFe(CN)6] and (CH3NH3)2[KCo(CN)6].","Dalton transactions (Cambridge, England : 2003)","2017","46","7","2322","2331","10.1039/c6dt03915d","","x-ray","0.71073","MoKα","","0.0702","0.0702","","","0.1299","0.1299","","","","","","1.28","","","","has coordinates","193826","2020-10-21","18:00:00",""
"7041711","6.931","0.0004","11.7421","0.0007","12.5963","0.0008","68.927","0.006","79.453","0.005","88.221","0.005","939.75","0.11","295","2","295","2","","","","","","","","6","P 1","P 1","1","","","","- C11 H21 Au Cl2 N4 O5 -","- C11 H21 Au Cl2 N4 O5 -","- C22 H42 Au2 Cl4 N8 O10 -","2","2","","Warżajtis, Beata; Glišić, Biljana Đ; Savić, Nada D; Pavic, Aleksandar; Vojnovic, Sandra; Veselinović, Aleksandar; Nikodinovic-Runic, Jasmina; Rychlewska, Urszula; Djuran, Miloš I","Mononuclear gold(iii) complexes with l-histidine-containing dipeptides: tuning the structural and biological properties by variation of the N-terminal amino acid and counter anion.","Dalton transactions (Cambridge, England : 2003)","2017","46","8","2594","2608","10.1039/c6dt04862e","","","0.71073","MoKα","","0.0257","0.0228","","","0.0535","0.0551","","","","","","1.058","","","","has coordinates","193784","2020-10-21","18:00:00",""
"7041712","9.8509","0.0002","10.7911","0.0002","15.3736","0.0003","90","","90","","90","","1634.25","0.06","295","2","295","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C12 H19 Au Cl2 N4 O3 -","- C12 H19 Au Cl2 N4 O3 -","- C48 H76 Au4 Cl8 N16 O12 -","4","1","","Warżajtis, Beata; Glišić, Biljana Đ; Savić, Nada D; Pavic, Aleksandar; Vojnovic, Sandra; Veselinović, Aleksandar; Nikodinovic-Runic, Jasmina; Rychlewska, Urszula; Djuran, Miloš I","Mononuclear gold(iii) complexes with l-histidine-containing dipeptides: tuning the structural and biological properties by variation of the N-terminal amino acid and counter anion.","Dalton transactions (Cambridge, England : 2003)","2017","46","8","2594","2608","10.1039/c6dt04862e","","","0.71073","MoKα","","0.0209","0.019","","","0.0387","0.0394","","","","","","1.032","","","","has coordinates","193784","2020-10-21","18:00:00",""
"7041713","8.3519","0.0001","11.1268","0.0001","24.3707","0.0002","90","","90","","90","","2264.77","0.04","295","2","295","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C12 H21 Au2 Cl5 N4 O4 -","- C12 H21 Au2 Cl5 N4 O4 -","- C48 H84 Au8 Cl20 N16 O16 -","4","1","","Warżajtis, Beata; Glišić, Biljana Đ; Savić, Nada D; Pavic, Aleksandar; Vojnovic, Sandra; Veselinović, Aleksandar; Nikodinovic-Runic, Jasmina; Rychlewska, Urszula; Djuran, Miloš I","Mononuclear gold(iii) complexes with l-histidine-containing dipeptides: tuning the structural and biological properties by variation of the N-terminal amino acid and counter anion.","Dalton transactions (Cambridge, England : 2003)","2017","46","8","2594","2608","10.1039/c6dt04862e","","","0.71073","MoKα","","0.0193","0.0179","","","0.0401","0.0405","","","","","","1.049","","","","has coordinates","193784","2020-10-21","18:00:00",""
"7041714","27.3091","0.0007","8.6678","0.0002","8.6743","0.0002","90","","108.081","0.002","90","","1951.9","0.08","295","2","295","2","","","","","","","","6","C 1 2 1","C 2y","5","","","","- C9 H15 Au2 Cl5 N4 O4 -","- C9 H15 Au2 Cl5 N4 O4 -","- C36 H60 Au8 Cl20 N16 O16 -","4","1","","Warżajtis, Beata; Glišić, Biljana Đ; Savić, Nada D; Pavic, Aleksandar; Vojnovic, Sandra; Veselinović, Aleksandar; Nikodinovic-Runic, Jasmina; Rychlewska, Urszula; Djuran, Miloš I","Mononuclear gold(iii) complexes with l-histidine-containing dipeptides: tuning the structural and biological properties by variation of the N-terminal amino acid and counter anion.","Dalton transactions (Cambridge, England : 2003)","2017","46","8","2594","2608","10.1039/c6dt04862e","","","0.71073","MoKα","","0.0175","0.0171","","","0.0414","0.0416","","","","","","1.088","","","","has coordinates","193784","2020-10-21","18:00:00",""
"7041715","14.73","0.003","28.092","0.006","29.978","0.006","90","","95.63","0.03","90","","12345","4","100","2","100","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C108 H84 Au6 P6 S2 -","- C108 H84 Au6 P6 S2 -","- C432 H336 Au24 P24 S8 -","4","1","","Shakirova, Julia R.; Grachova, Elena V.; Sizov, Vladimir V.; Starova, Galina L.; Koshevoy, Igor O.; Melnikov, Alexey S.; Gimeno, M Concepción; Laguna, Antonio; Tunik, Sergey P.","Polynuclear cage-like Au(i) phosphane complexes based on a S(2-) template: observation of multiple luminescence in coordinated polyaromatic systems.","Dalton transactions (Cambridge, England : 2003)","2017","46","8","2516","2523","10.1039/c6dt04126d","","","0.71073","MoKα","","0.198","0.1363","","","0.3504","0.3846","","","","","","1.132","","","","has coordinates","193792","2020-10-21","18:00:00",""
"7041716","9.124","0.0006","12.579","0.006","13.411","0.006","63.45","0.02","88.31","0.04","84.21","0.04","1369.6","0.9","293","2","293","2","","","","","","","","6","P -1","-P 1","2","","","","- C56 H46 Cl2 Mn2 N8 O14 -","- C56 H46 Cl2 Mn2 N8 O14 -","- C56 H46 Cl2 Mn2 N8 O14 -","1","0.5","","Escriche-Tur, Luis; Font-Bardia, Mercè; Albela, Belén; Corbella, Montserrat","Determination of ZFS parameters from the EPR spectra of mono-, di- and trinuclear Mn(II) complexes: impact of magnetic coupling.","Dalton transactions (Cambridge, England : 2003)","2017","46","8","2699","2714","10.1039/c6dt04012h","","","0.71073","MoKα","","0.1109","0.0739","","","0.1971","0.2216","","","","","","1.088","","","","has coordinates,has disorder","193793","2020-10-21","18:00:00",""
"7041717","14.8275","0.0019","19.625","0.002","9.5828","0.0012","90","","94.929","0.004","90","","2778.2","0.6","100","2","100","2","","","","","","","","6","C 1 2/m 1","-C 2y","12","","","","- C64 H46 Cl2 Mn2 N8 O14 -","- C64 H46 Cl2 Mn2 N8 O14 -","- C128 H92 Cl4 Mn4 N16 O28 -","2","0.25","","Escriche-Tur, Luis; Font-Bardia, Mercè; Albela, Belén; Corbella, Montserrat","Determination of ZFS parameters from the EPR spectra of mono-, di- and trinuclear Mn(II) complexes: impact of magnetic coupling.","Dalton transactions (Cambridge, England : 2003)","2017","46","8","2699","2714","10.1039/c6dt04012h","","","0.71073","MoKα","","0.0801","0.0736","","","0.168","0.1714","","","","","","1.173","","","","has coordinates,has disorder","193793","2020-10-21","18:00:00",""
"7041718","11.201","0.01","11.519","0.007","14.455","0.01","71.58","0.04","71.09","0.04","74.74","0.05","1647","2","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C72 H64 Mn3 N6 O18 -","- C72 H64 Mn3 N6 O18 -","- C72 H64 Mn3 N6 O18 -","1","0.5","","Escriche-Tur, Luis; Font-Bardia, Mercè; Albela, Belén; Corbella, Montserrat","Determination of ZFS parameters from the EPR spectra of mono-, di- and trinuclear Mn(II) complexes: impact of magnetic coupling.","Dalton transactions (Cambridge, England : 2003)","2017","46","8","2699","2714","10.1039/c6dt04012h","","","0.71073","MoKα","","0.1628","0.0859","","","0.1881","0.219","","","","","","1.05","","","","has coordinates","193793","2020-10-21","18:00:00",""
"7041719","8.2965","0.0007","13.4504","0.001","14.3581","0.0012","102.403","0.003","91.449","0.004","106.589","0.003","1493.3","0.2","100","2","100","2","","","","","","","","6","P -1","-P 1","2","","","","- C32 H25 Cl Mn N4 O8 -","- C32 H25 Cl Mn N4 O8 -","- C64 H50 Cl2 Mn2 N8 O16 -","2","1","","Escriche-Tur, Luis; Font-Bardia, Mercè; Albela, Belén; Corbella, Montserrat","Determination of ZFS parameters from the EPR spectra of mono-, di- and trinuclear Mn(II) complexes: impact of magnetic coupling.","Dalton transactions (Cambridge, England : 2003)","2017","46","8","2699","2714","10.1039/c6dt04012h","","","0.71073","MoKα","","0.0821","0.0607","","","0.1143","0.1238","","","","","","1.144","","","","has coordinates,has disorder","193793","2020-10-21","18:00:00",""
"7041720","8.494","0.004","13.051","0.005","14.288","0.005","113.12","0.02","105.19","0.03","92.03","0.03","1388.6","1","293","2","293","2","","","","","","","","6","P -1","-P 1","2","","","","- C56 H46 Cl2 Mn2 N8 O14 -","- C56 H46 Cl2 Mn2 N8 O14 -","- C56 H46 Cl2 Mn2 N8 O14 -","1","0.5","","Escriche-Tur, Luis; Font-Bardia, Mercè; Albela, Belén; Corbella, Montserrat","Determination of ZFS parameters from the EPR spectra of mono-, di- and trinuclear Mn(II) complexes: impact of magnetic coupling.","Dalton transactions (Cambridge, England : 2003)","2017","46","8","2699","2714","10.1039/c6dt04012h","","","0.71073","MoKα","","0.0384","0.0344","","","0.0971","0.1003","","","","","","1.059","","","","has coordinates,has disorder","193793","2020-10-21","18:00:00",""
"7041721","9.1362","0.0004","23.6792","0.001","12.2498","0.0005","90","","92.857","0.001","90","","2646.8","0.19","90","2","90","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C56 H46 Cl2 Mn2 N8 O14 -","- C56 H46 Cl2 Mn2 N8 O14 -","- C112 H92 Cl4 Mn4 N16 O28 -","2","0.5","","Escriche-Tur, Luis; Font-Bardia, Mercè; Albela, Belén; Corbella, Montserrat","Determination of ZFS parameters from the EPR spectra of mono-, di- and trinuclear Mn(II) complexes: impact of magnetic coupling.","Dalton transactions (Cambridge, England : 2003)","2017","46","8","2699","2714","10.1039/c6dt04012h","","","0.71073","MoKα","","0.0471","0.0356","","","0.0898","0.0952","","","","","","1.085","","","","has coordinates","193793","2020-10-21","18:00:00",""
"7041722","9.5795","0.0016","12.309","0.002","13.644","0.003","64.358","0.007","84.369","0.007","84.183","0.007","1440.3","0.5","100","2","100","2","","","","","","","","6","P -1","-P 1","2","","","","- C64 H46 Cl2 Mn2 N8 O14 -","- C64 H46 Cl2 Mn2 N8 O14 -","- C64 H46 Cl2 Mn2 N8 O14 -","1","0.5","","Escriche-Tur, Luis; Font-Bardia, Mercè; Albela, Belén; Corbella, Montserrat","Determination of ZFS parameters from the EPR spectra of mono-, di- and trinuclear Mn(II) complexes: impact of magnetic coupling.","Dalton transactions (Cambridge, England : 2003)","2017","46","8","2699","2714","10.1039/c6dt04012h","","","0.71073","MoKα","","0.0644","0.0476","","","0.1143","0.1221","","","","","","1.061","","","","has coordinates,has disorder","193793","2020-10-21","18:00:00",""
"7041723","25.088","0.003","20.956","0.003","20.011","0.003","90","","102.342","0.005","90","","10278","2","293","2","293","2","","","","","","","","5","C 1 c 1","C -2yc","9","","","","- C28 H26 Mn N2 O8 -","- C28 H26 Mn N2 O8 -","- C448 H416 Mn16 N32 O128 -","16","4","","Escriche-Tur, Luis; Font-Bardia, Mercè; Albela, Belén; Corbella, Montserrat","Determination of ZFS parameters from the EPR spectra of mono-, di- and trinuclear Mn(II) complexes: impact of magnetic coupling.","Dalton transactions (Cambridge, England : 2003)","2017","46","8","2699","2714","10.1039/c6dt04012h","","","0.71073","MoKα","","0.0528","0.0407","","","0.0871","0.0944","","","","","","1.07","","","","has coordinates","193793","2020-10-21","18:00:00",""
"7041724","31.576","0.002","19.4882","0.0011","27.13","0.002","90","","112.29","0.009","90","","15447","2","150","2","150","2","","","","","","","","7","I 1 2/a 1","-I 2ya","15","","","","- C74.5 H74.5 Co2 I N12.5 O6 U -","- C74.5 H74.5 Co2 I N12.5 O6 U -","- C596 H596 Co16 I8 N100 O48 U8 -","8","1","","Chatelain, Lucile; Tuna, Floriana; Pécaut, Jacques; Mazzanti, Marinella","Synthesis and SMM behaviour of trinuclear versus dinuclear 3d-5f uranyl(v)-cobalt(ii) cation-cation complexes.","Dalton transactions (Cambridge, England : 2003)","2017","46","17","5498","5502","10.1039/c6dt04558h","","","0.71073","MoKα","","0.1838","0.0864","","","0.1943","0.2495","","","","","","1.011","","","","has coordinates,has disorder","196405","2020-10-21","18:00:00",""
"7041725","43.0624","0.0008","43.0624","0.0008","12.2847","0.0002","90","","90","","120","","19728.4","0.6","150","0.1","150","0.1","","","","","","","","7","R -3","-R 3","148","","","","- C42.42 H44.42 Co I N8.08 O4 U -","- C42.4167 H44.4167 Co I N8.0833 O4 U -","- C763.501 H799.501 Co18 I18 N145.499 O72 U18 -","18","","","Chatelain, Lucile; Tuna, Floriana; Pécaut, Jacques; Mazzanti, Marinella","Synthesis and SMM behaviour of trinuclear versus dinuclear 3d-5f uranyl(v)-cobalt(ii) cation-cation complexes.","Dalton transactions (Cambridge, England : 2003)","2017","46","17","5498","5502","10.1039/c6dt04558h","","","0.71073","MoKα","","0.0474","0.0367","","","0.0854","0.0901","","","","","","1.078","","","","has coordinates,has disorder","196405","2020-10-21","18:00:00",""
"7041726","9.193","0.002","11.622","0.003","17.081","0.004","90","","101.079","0.004","90","","1790.9","0.7","293","2","293","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C19 H18 Cl Fe N Pd S -","- C19 H18 Cl Fe N Pd S -","- C76 H72 Cl4 Fe4 N4 Pd4 S4 -","4","1","","Sharma, Alpesh K.; Joshi, Hemant; Bhaskar, Renu; Kumar, Satyendra; Singh, Ajai K.","Palladacycles of sulfated and selenated Schiff bases of ferrocene-carboxaldehyde as catalysts for O-arylation and Suzuki-Miyaura coupling.","Dalton transactions (Cambridge, England : 2003)","2017","46","8","2485","2496","10.1039/c7dt00083a","","","0.71073","MoKα","","0.0492","0.0389","","","0.0825","0.0859","","","","","","1.17","","","","has coordinates","193779","2020-10-21","18:00:00",""
"7041727","10.0905","0.0014","10.5555","0.0014","18.524","0.003","100.307","0.002","93.349","0.002","116.254","0.002","1719.6","0.4","298","2","298","2","","","","","","","","8","P -1","-P 1","2","","","","- C37 H33 Cl Fe N P Pd S -","- C37 H33 Cl Fe N P Pd S -","- C74 H66 Cl2 Fe2 N2 P2 Pd2 S2 -","2","1","","Sharma, Alpesh K.; Joshi, Hemant; Bhaskar, Renu; Kumar, Satyendra; Singh, Ajai K.","Palladacycles of sulfated and selenated Schiff bases of ferrocene-carboxaldehyde as catalysts for O-arylation and Suzuki-Miyaura coupling.","Dalton transactions (Cambridge, England : 2003)","2017","46","8","2485","2496","10.1039/c7dt00083a","","","0.71073","MoKα","","0.0725","0.066","","","0.2205","0.2261","","","","","","1.155","","","","has coordinates","193779","2020-10-21","18:00:00",""
"7041728","9.203","0.007","11.673","0.008","17.075","0.012","90","","101.083","0.013","90","","1800","2","298","2","298","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C19 H18 Cl Fe N Pd Se -","- C19 H18 Cl Fe N Pd Se -","- C76 H72 Cl4 Fe4 N4 Pd4 Se4 -","4","1","","Sharma, Alpesh K.; Joshi, Hemant; Bhaskar, Renu; Kumar, Satyendra; Singh, Ajai K.","Palladacycles of sulfated and selenated Schiff bases of ferrocene-carboxaldehyde as catalysts for O-arylation and Suzuki-Miyaura coupling.","Dalton transactions (Cambridge, England : 2003)","2017","46","8","2485","2496","10.1039/c7dt00083a","","","0.71073","MoKα","","0.0477","0.0397","","","0.1164","0.1328","","","","","","1.058","","","","has coordinates","193779","2020-10-21","18:00:00",""
"7041729","20.3393","0.0012","8.6892","0.0005","28.8433","0.0017","90","","92.231","0.003","90","","5093.7","0.5","100","2","100","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C23.72 H41.15 Cl0.28 O3.72 Si Zr -","- C23.718 H41.154 Cl0.282 O3.718 Si Zr -","- C189.744 H329.232 Cl2.256 O29.744 Si8 Zr8 -","8","1","","Richers, Casseday P.; Bertke, Jeffery A.; Rauchfuss, Thomas","Syntheses of Transition Metal Methoxysiloxides","Dalton Trans.","2017","","","","","10.1039/C6DT04205H","","","0.71073","MoKα","","0.029","0.0273","","","0.0683","0.0697","","","","","","1.106","","","","has coordinates,has disorder","190621","2020-10-21","18:00:00",""
"7041730","10.9765","0.0007","12.7863","0.0008","15.3713","0.001","107.402","0.004","94.625","0.004","113.436","0.004","1839","0.2","100","2","100","2","","","","","","","","6","P -1","-P 1","2","","","","- C35.5 H54 Cu N2 O3.5 Si -","- C35.5 H54 Cu N2 O3.5 Si -","- C71 H108 Cu2 N4 O7 Si2 -","2","1","","Richers, Casseday P.; Bertke, Jeffery A.; Rauchfuss, Thomas","Syntheses of Transition Metal Methoxysiloxides","Dalton Trans.","2017","","","","","10.1039/C6DT04205H","","","0.71073","MoKα","","0.0691","0.0486","","","0.116","0.1261","","","","","","1.055","","","","has coordinates,has disorder","190621","2020-10-21","18:00:00",""
"7041731","20.2846","0.001","8.6034","0.0004","28.2397","0.0013","90","","92.727","0.0017","90","","4922.7","0.4","100","2","100","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C24 H42 O4 Si Ti -","- C24 H42 O4 Si Ti -","- C192 H336 O32 Si8 Ti8 -","8","1","","Richers, Casseday P.; Bertke, Jeffery A.; Rauchfuss, Thomas","Syntheses of Transition Metal Methoxysiloxides","Dalton Trans.","2017","","","","","10.1039/C6DT04205H","","","0.71073","MoKα","","0.0497","0.0445","","","0.107","0.1101","","","","","","1.053","","","","has coordinates","190621","2020-10-21","18:00:00",""
"7041732","10.9606","0.0007","19.4711","0.0013","21.7517","0.0015","90","","90","","90","","4642.1","0.5","100","2","100","2","","","","","","","","6","P c a 21","P 2c -2ac","29","","","","- C46.5 H54 Co O3 P3 Si -","- C44 H48 Co O3 P3 Si -","- C176 H192 Co4 O12 P12 Si4 -","4","1","","Richers, Casseday P.; Bertke, Jeffery A.; Rauchfuss, Thomas","Syntheses of Transition Metal Methoxysiloxides","Dalton Trans.","2017","","","","","10.1039/C6DT04205H","","","0.71073","MoKα","","0.0517","0.0495","","","0.1279","0.1296","","","","","","1.119","","","","has coordinates,has disorder","190621","2020-10-21","18:00:00",""
"7041733","8.0837","0.0016","19.099","0.004","22.104","0.004","90","","91.68","0.003","90","","3411.2","1.2","293","2","293","2","","","","","","","","9","P 1 21/n 1","-P 2yn","14","","","","- C31 H33 Cl F6 Ir N2 P S Se -","- C31 H33 Cl F6 Ir N2 P S Se -","- C124 H132 Cl4 F24 Ir4 N8 P4 S4 Se4 -","4","1","","Sharma, Alpesh K.; Joshi, Hemant; Bhaskar, Renu; Singh, Ajai K.","Complexes of (η(5)-Cp*)Ir(iii) with 1-benzyl-3-phenylthio/selenomethyl-1,3-dihydrobenzoimidazole-2-thione/selenone: catalyst for oxidation and 1,2-substituted benzimidazole synthesis.","Dalton transactions (Cambridge, England : 2003)","2017","46","7","2228","2237","10.1039/c6dt04271f","","","0.71073","MoKα","","0.1025","0.0761","","","0.1824","0.1922","","","","","","1.097","","","","has coordinates","278158","2022-09-26","15:28:11",""
"7041734","7.987","0.003","19.294","0.008","22.319","0.009","90","","91.001","0.008","90","","3439","2","293","2","293","2","","","","","","","","9","P 1 21/n 1","-P 2yn","14","","","","- C31 H33 Cl F6 Ir N2 P S Se -","- C31 H33 Cl F6 Ir N2 P S Se -","- C124 H132 Cl4 F24 Ir4 N8 P4 S4 Se4 -","4","1","","Sharma, Alpesh K.; Joshi, Hemant; Bhaskar, Renu; Singh, Ajai K.","Complexes of (η(5)-Cp*)Ir(iii) with 1-benzyl-3-phenylthio/selenomethyl-1,3-dihydrobenzoimidazole-2-thione/selenone: catalyst for oxidation and 1,2-substituted benzimidazole synthesis.","Dalton transactions (Cambridge, England : 2003)","2017","46","7","2228","2237","10.1039/c6dt04271f","","","0.71073","MoKα","","0.0818","0.0638","","","0.1111","0.1168","","","","","","1.185","","","","has coordinates","193830","2020-10-21","18:00:00",""
"7041735","8.0384","0.0018","19.3","0.004","22.282","0.005","90","","91.219","0.005","90","","3456.1","1.3","293","2","293","2","","","","","","","","8","P 1 21/n 1","-P 2yn","14","","","","- C31 H33 Cl F6 Ir N2 P Se2 -","- C31 H33 Cl F6 Ir N2 P Se2 -","- C124 H132 Cl4 F24 Ir4 N8 P4 Se8 -","4","1","","Sharma, Alpesh K.; Joshi, Hemant; Bhaskar, Renu; Singh, Ajai K.","Complexes of (η(5)-Cp*)Ir(iii) with 1-benzyl-3-phenylthio/selenomethyl-1,3-dihydrobenzoimidazole-2-thione/selenone: catalyst for oxidation and 1,2-substituted benzimidazole synthesis.","Dalton transactions (Cambridge, England : 2003)","2017","46","7","2228","2237","10.1039/c6dt04271f","","","0.71073","MoKα","","0.0827","0.0668","","","0.1303","0.1363","","","","","","1.194","","","","has coordinates","193830","2020-10-21","18:00:00",""
"7041736","8.0195","0.0014","19.158","0.003","22.138","0.004","90","","91.279","0.003","90","","3400.4","1","296.15","","296.15","","","","","","","","","8","P 1 21/n 1","-P 2yn","14","","","","- C31 H33 Cl F6 Ir N2 P S2 -","- C31 H33 Cl F6 Ir N2 P S2 -","- C124 H132 Cl4 F24 Ir4 N8 P4 S8 -","4","1","","Sharma, Alpesh K.; Joshi, Hemant; Bhaskar, Renu; Singh, Ajai K.","Complexes of (η(5)-Cp*)Ir(iii) with 1-benzyl-3-phenylthio/selenomethyl-1,3-dihydrobenzoimidazole-2-thione/selenone: catalyst for oxidation and 1,2-substituted benzimidazole synthesis.","Dalton transactions (Cambridge, England : 2003)","2017","46","7","2228","2237","10.1039/c6dt04271f","","","0.71073","MoKα","","0.0617","0.0503","","","0.1062","0.1103","","","","","","1.143","","","","has coordinates","193830","2020-10-21","18:00:00",""
"7041737","11.3921","0.0004","10.0553","0.0004","16.8141","0.0007","90","","98.477","0.002","90","","1905.03","0.13","100","2","100","2","","","","","","","","6","P 1 21 1","P 2yb","4","trp121813","trp121813","","- C35 H54 B Cu N7 O3 -","- C35 H54 B Cu N7 O3 -","- C70 H108 B2 Cu2 N14 O6 -","2","1","","Porter, Thomas R.; Hayes, Ellen C.; Kaminsky, Werner; Mayer, James M.","Sterically directed nitronate complexes of 2,6-di-tert-butyl-4-nitrophenoxide with Cu(ii) and Zn(ii) and their H-atom transfer reactivity.","Dalton transactions (Cambridge, England : 2003)","2017","46","8","2551","2558","10.1039/c6dt04427a","","","0.71073","MoKα","","0.0976","0.0738","","","0.1592","0.1712","","","","","","1.08","","","","has coordinates","193774","2020-10-21","18:00:00",""
"7041738","15.9638","0.0027","15.4774","0.0025","10.2837","0.0017","90","","90","","90","","2540.9","0.7","100","2","100","2","","","","","","","","6","P n m a","-P 2ac 2n","62","trp101612","trp101612","","- C23 H37 B Cu N6 O2 -","- C23 H37 B Cu N6 O2 -","- C92 H148 B4 Cu4 N24 O8 -","4","0.5","","Porter, Thomas R.; Hayes, Ellen C.; Kaminsky, Werner; Mayer, James M.","Sterically directed nitronate complexes of 2,6-di-tert-butyl-4-nitrophenoxide with Cu(ii) and Zn(ii) and their H-atom transfer reactivity.","Dalton transactions (Cambridge, England : 2003)","2017","46","8","2551","2558","10.1039/c6dt04427a","","","0.71073","MoKα","","0.0248","0.0232","","","0.0649","0.0665","","","","","","1.048","","","","has coordinates","193774","2020-10-21","18:00:00",""
"7041739","19.8577","0.0009","8.0385","0.0003","18.2723","0.0009","90","","102.001","0.004","90","","2853","0.2","100","2","100","2","","","","","","","","6","C 1 c 1","C -2yc","9","trp032014","trp032014","","- C27 H38 B Cu N7 O3 -","- C27 H38 B Cu N7 O3 -","- C108 H152 B4 Cu4 N28 O12 -","4","1","","Porter, Thomas R.; Hayes, Ellen C.; Kaminsky, Werner; Mayer, James M.","Sterically directed nitronate complexes of 2,6-di-tert-butyl-4-nitrophenoxide with Cu(ii) and Zn(ii) and their H-atom transfer reactivity.","Dalton transactions (Cambridge, England : 2003)","2017","46","8","2551","2558","10.1039/c6dt04427a","","","0.71073","MoKα","","0.0381","0.0304","","","0.0615","0.0641","","","","","","1.044","","","","has coordinates","193774","2020-10-21","18:00:00",""
"7041740","13.5042","0.001","14.5848","0.0012","19.8333","0.0016","90","","103.397","0.004","90","","3800","0.5","100","2","100","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","trp011214","trp011214","","- C35 H54 B N7 O3 Zn -","- C35 H54 B N7 O3 Zn -","- C140 H216 B4 N28 O12 Zn4 -","4","1","","Porter, Thomas R.; Hayes, Ellen C.; Kaminsky, Werner; Mayer, James M.","Sterically directed nitronate complexes of 2,6-di-tert-butyl-4-nitrophenoxide with Cu(ii) and Zn(ii) and their H-atom transfer reactivity.","Dalton transactions (Cambridge, England : 2003)","2017","46","8","2551","2558","10.1039/c6dt04427a","","","0.71073","MoKα","","0.0369","0.0274","","","0.0651","0.0696","","","","","","1.037","","","","has coordinates","193774","2020-10-21","18:00:00",""
"7041741","16.0271","0.0005","16.0271","0.0005","16.0271","0.0005","90","","90","","90","","4116.8","0.2","298","","298","","","","","","","","","5","I m -3 m","-I 4 2 3","229","","","","- H42 N9 O54 P6 V15 -","- H40.0008 N9 O54 P6 V15 -","- H80.0016 N18 O108 P12 V30 -","2","0.0208333","","Hu, Hailiang; Guo, Zhenyu; Li, Kaixuan; Lin, Xiaoling; Liu, Yang; Kang, Zhenhui","A spherical deca-vanadophosphate covalent assembled all-inorganic open framework.","Dalton transactions (Cambridge, England : 2003)","2017","46","10","3115","3119","10.1039/c6dt03850f","","","0.71073","MoKα","","0.0881","0.0842","","","0.2524","0.256","","","","","","1.164","","","","has coordinates,has disorder","195049","2020-10-21","18:00:00",""
"7041742","14.513","0.006","24.868","0.011","12.425","0.006","90","","91.208","0.009","90","","4483","3","293","2","293","2","","","","","","","","8","P 1 21/c 1","-P 2ybc","14","","","","- C50 H42 Cl0 N0 Ni O0 P2 S4 -","- C50 H42 Ni P2 S4 -","- C200 H168 Ni4 P8 S16 -","4","1","","Wang, Jiang; Shi, Lin-Xi; Wang, Jin-Yun; Chen, Jin-Xiang; Liu, Sheng-Hua; Chen, Zhong-Ning","An unprecedented photochromic system with cis-oriented dithienyl-dithiolenes supported by metal chelation.","Dalton transactions (Cambridge, England : 2003)","2017","46","6","2023","2029","10.1039/c6dt04421b","","","0.71073","MoKα","","0.0863","0.0604","","","0.162","0.1952","","","","","","0.995","","","","has coordinates","193803","2020-10-21","18:00:00",""
"7041743","25.348","0.006","12.843","0.002","14.647","0.003","90","","90","","90","","4768.2","1.7","293","2","293","2","","","","","","","","8","P b c n","-P 2n 2ab","60","","","","- C50 H42 Cl0 N0 O0 P2 Pd S4 -","- C50 H42 P2 Pd S4 -","- C200 H168 P8 Pd4 S16 -","4","0.5","","Wang, Jiang; Shi, Lin-Xi; Wang, Jin-Yun; Chen, Jin-Xiang; Liu, Sheng-Hua; Chen, Zhong-Ning","An unprecedented photochromic system with cis-oriented dithienyl-dithiolenes supported by metal chelation.","Dalton transactions (Cambridge, England : 2003)","2017","46","6","2023","2029","10.1039/c6dt04421b","","","0.71073","MoKα","","0.0893","0.0798","","","0.1657","0.1684","","","","","","1.142","","","","has coordinates","193803","2020-10-21","18:00:00",""
"7041744","10.093","0.0005","17.1361","0.0008","13.4071","0.0006","90","","99.138","0.001","90","","2289.39","0.19","296","2","296","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","2","","- C22 H18 Cd N6 O7 -","- C22 H18 Cd N6 O7 -","- C88 H72 Cd4 N24 O28 -","4","1","","Zhang, Xin; Wang, Zhong-Jie; Chen, Shu-Guang; Shi, Zhen-Zhen; Chen, Jin-Xi; Zheng, He-Gen","Cd-Based metal-organic frameworks from solvothermal reactions involving in situ aldimine condensation and the highly sensitive detection of Fe(3+) ions.","Dalton transactions (Cambridge, England : 2003)","2017","46","7","2332","2338","10.1039/c6dt04675d","","","0.71073","MoKα","","0.0424","0.0346","","","0.0858","0.0902","","","","","","0.986","","","","has coordinates","193821","2020-10-21","18:00:00",""
"7041745","24.6457","0.0019","8.2556","0.0006","19.9665","0.0015","90","","127.771","0.001","90","","3211.3","0.4","296","2","296","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","3","","- C36 H24 Cd N14 O0 -","- C36 H24 Cd N14 -","- C144 H96 Cd4 N56 -","4","0.5","","Zhang, Xin; Wang, Zhong-Jie; Chen, Shu-Guang; Shi, Zhen-Zhen; Chen, Jin-Xi; Zheng, He-Gen","Cd-Based metal-organic frameworks from solvothermal reactions involving in situ aldimine condensation and the highly sensitive detection of Fe(3+) ions.","Dalton transactions (Cambridge, England : 2003)","2017","46","7","2332","2338","10.1039/c6dt04675d","","","0.71073","MoKα","","0.0477","0.0315","","","0.0686","0.0751","","","","","","0.944","","","","has coordinates","193821","2020-10-21","18:00:00",""
"7041746","10.2028","0.0013","10.2892","0.0012","13.5433","0.0019","75.854","0.004","84.319","0.004","88.523","0.003","1371.9","0.3","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","4","","- C28 H19 Cd N7 O5 -","- C28 H19 Cd N7 O5 -","- C56 H38 Cd2 N14 O10 -","2","1","","Zhang, Xin; Wang, Zhong-Jie; Chen, Shu-Guang; Shi, Zhen-Zhen; Chen, Jin-Xi; Zheng, He-Gen","Cd-Based metal-organic frameworks from solvothermal reactions involving in situ aldimine condensation and the highly sensitive detection of Fe(3+) ions.","Dalton transactions (Cambridge, England : 2003)","2017","46","7","2332","2338","10.1039/c6dt04675d","","","0.71073","MoKα","","0.0889","0.062","","","0.15","0.161","","","","","","1.014","","","","has coordinates","193821","2020-10-21","18:00:00",""
"7041747","9.5995","0.0005","10.463","0.0005","13.6518","0.0007","75.977","0.002","83.235","0.002","88.025","0.001","1321.03","0.12","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","1","","- C28 H22 Cd N6 O8 -","- C28 H22 Cd N6 O8 -","- C56 H44 Cd2 N12 O16 -","2","1","","Zhang, Xin; Wang, Zhong-Jie; Chen, Shu-Guang; Shi, Zhen-Zhen; Chen, Jin-Xi; Zheng, He-Gen","Cd-Based metal-organic frameworks from solvothermal reactions involving in situ aldimine condensation and the highly sensitive detection of Fe(3+) ions.","Dalton transactions (Cambridge, England : 2003)","2017","46","7","2332","2338","10.1039/c6dt04675d","","","0.71073","MoKα","","0.0621","0.0449","","","0.0878","0.0932","","","","","","1.084","","","","has coordinates","193821","2020-10-21","18:00:00",""
"7041748","5.82555","0.00019","11.35671","0.00036","11.40625","0.00034","91.4141","0.0028","89.8084","0.003","90.0516","0.0042","754.39","0.04","183","","183","","","","","","","","","4","P -1","-P 1","2","","","","- F7 H12 N3 Si -","- F7 N3 Si -","- F28 N12 Si4 -","4","2","","Mel'nikova, S. V.; Molokeev, M. S.; Laptash, N. M.; Pogoreltsev, E. I.; Misyul, S. V.; Flerov, I. N.","Sequence of phase transitions in (NH4)3SiF7.","Dalton transactions (Cambridge, England : 2003)","2017","46","8","2609","2617","10.1039/c6dt04874a","powder diffraction","x-ray","1.5406","CuKα~1~~2~","","","","","","","","","3.38","1.741","","","","","","","has coordinates","278158","2022-09-26","15:28:11",""
"7041749","11.39893","0.00048","11.37591","0.0004","5.8343","0.00021","90","","90","","90","","756.55","0.05","213","","213","","","","","","","","","3","P b a m","-P 2 2ab","55","","","","- F7 N3 Si -","- F7 N3 Si -","- F28 N12 Si4 -","4","0.5","","Mel'nikova, S. V.; Molokeev, M. S.; Laptash, N. M.; Pogoreltsev, E. I.; Misyul, S. V.; Flerov, I. N.","Sequence of phase transitions in (NH4)3SiF7.","Dalton transactions (Cambridge, England : 2003)","2017","46","8","2609","2617","10.1039/c6dt04874a","powder diffraction","x-ray","1.5406","CuKα~1~~2~","","","","","","","","","4.04","1.688","","","","","","","has coordinates","205493","2020-10-21","18:00:00",""
"7041750","11.57104","0.00027","11.40731","0.00027","11.43002","0.00029","90","","90.7449","0.0017","90","","1508.57","0.06","133","","133","","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- F7 N3 Si -","- F7 N3 Si -","- F56 N24 Si8 -","8","2","","Mel'nikova, S. V.; Molokeev, M. S.; Laptash, N. M.; Pogoreltsev, E. I.; Misyul, S. V.; Flerov, I. N.","Sequence of phase transitions in (NH4)3SiF7.","Dalton transactions (Cambridge, England : 2003)","2017","46","8","2609","2617","10.1039/c6dt04874a","powder diffraction","x-ray","1.5406","CuKα~1~~2~","","","","","","","","","3.95","2.535","","","","","","","has coordinates","205493","2020-10-21","18:00:00",""
"7041751","8.07501","0.00021","8.07501","0.00021","5.86133","0.00017","90","","90","","90","","382.193","0.018","303","","303","","","","","","","","","3","P 4/m b m","-P 4 2ab","127","","","","- F7 N3 Si -","- F7 N3 Si -","- F14 N6 Si2 -","2","0.125","","Mel'nikova, S. V.; Molokeev, M. S.; Laptash, N. M.; Pogoreltsev, E. I.; Misyul, S. V.; Flerov, I. N.","Sequence of phase transitions in (NH4)3SiF7.","Dalton transactions (Cambridge, England : 2003)","2017","46","8","2609","2617","10.1039/c6dt04874a","powder diffraction","x-ray","1.5406","CuKα~1~~2~","","","","","","","","","4.74","2.662","","","","","","","has coordinates","205493","2020-10-21","18:00:00",""
"7041752","18.88","0.002","18.88","0.002","18.88","0.002","90","","90","","90","","6729.9","1.2","293","2","293","2","","","","","","","","5","P n -3 :2","-P 2ab 2bc 3","201","","","","- B18 H6 Li10 O60 V12 -","- B18 H6 Li10 O60 V12 -","- B72 H24 Li40 O240 V48 -","4","0.166667","","Liu, Xinxin; Zhang, Dan; Li, He; Li, Lingyun; Yuan, Hongming","A new 3-D open-framework Li-rich vanadoborate and its high ionic conductivity after transforming into glasses.","Dalton transactions (Cambridge, England : 2003)","2017","46","8","2479","2484","10.1039/c6dt04701g","","","0.71073","MoKα","","0.0675","0.0591","","","0.1756","0.1835","","","","","","1.019","","","","has coordinates","210357","2020-10-21","18:00:00",""
"7041753","10.0995","0.0002","14.5864","0.0003","11.3819","0.0002","90","","90","","90","","1676.73","0.06","133","2","133","2","","","","","","","","6","P n m a","-P 2ac 2n","62","","","","- C14 H16 Br Mn N4 O3 -","- C14 H16 Br Mn N4 O3 -","- C56 H64 Br4 Mn4 N16 O12 -","4","0.5","","Mede, Ralf; Traber, Juliane; Klein, Moritz; Görls, Helmar; Gessner, Guido; Hoffmann, Patrick; Schmitt, Michael; Popp, Jürgen; Heinemann, Stefan H.; Neugebauer, Ute; Westerhausen, Matthias","Synthesis and solution stability of water-soluble κ(2)N,κO-bis(3,5-dimethylpyrazolyl)ethanol manganese(i) tricarbonyl bromide (CORM-ONN1).","Dalton transactions (Cambridge, England : 2003)","2017","46","5","1684","1693","10.1039/c6dt03551e","","","0.71073","MoKα","","0.0238","0.0214","","","0.0447","0.0461","","","","","","1.101","","","","has coordinates","191652","2020-10-21","18:00:00",""
"7041754","7.4242","0.0002","8.6729","0.0003","10.7671","0.0004","99.558","0.002","103.319","0.002","111.723","0.002","602.02","0.04","133","2","133","2","","","","","","","","4","P -1","-P 1","2","","","","- C12 H18 N4 O -","- C12 H18 N4 O -","- C24 H36 N8 O2 -","2","1","","Mede, Ralf; Traber, Juliane; Klein, Moritz; Görls, Helmar; Gessner, Guido; Hoffmann, Patrick; Schmitt, Michael; Popp, Jürgen; Heinemann, Stefan H.; Neugebauer, Ute; Westerhausen, Matthias","Synthesis and solution stability of water-soluble κ(2)N,κO-bis(3,5-dimethylpyrazolyl)ethanol manganese(i) tricarbonyl bromide (CORM-ONN1).","Dalton transactions (Cambridge, England : 2003)","2017","46","5","1684","1693","10.1039/c6dt03551e","","","0.71073","MoKα","","0.0597","0.0514","","","0.1114","0.1187","","","","","","1.07","","","","has coordinates","191652","2020-10-21","18:00:00",""
"7041755","11.6573","0.0003","14.7441","0.0003","20.6894","0.0005","85.371","0.002","81.709","0.001","69.787","0.001","3300.32","0.14","133","2","133","2","","","","","","","","5","P -1","-P 1","2","","","","- C29 H35 Mn2 N8 O7 -","- C29 H35 Mn2 N8 O7 -","- C116 H140 Mn8 N32 O28 -","4","2","","Mede, Ralf; Traber, Juliane; Klein, Moritz; Görls, Helmar; Gessner, Guido; Hoffmann, Patrick; Schmitt, Michael; Popp, Jürgen; Heinemann, Stefan H.; Neugebauer, Ute; Westerhausen, Matthias","Synthesis and solution stability of water-soluble κ(2)N,κO-bis(3,5-dimethylpyrazolyl)ethanol manganese(i) tricarbonyl bromide (CORM-ONN1).","Dalton transactions (Cambridge, England : 2003)","2017","46","5","1684","1693","10.1039/c6dt03551e","","","0.71073","MoKα","","0.0704","0.0488","","","0.1183","0.1316","","","","","","1.057","","","","has coordinates","191652","2020-10-21","18:00:00",""
"7041756","8.1397","0.0002","10.3669","0.0003","10.7821","0.0002","103.904","0.002","111.361","0.001","91.846","0.001","815.26","0.04","133","2","133","2","","","","","","","","5","P -1","-P 1","2","","","","- C15 H15 Mn N4 O5 -","- C15 H15 Mn N4 O5 -","- C30 H30 Mn2 N8 O10 -","2","1","","Mede, Ralf; Traber, Juliane; Klein, Moritz; Görls, Helmar; Gessner, Guido; Hoffmann, Patrick; Schmitt, Michael; Popp, Jürgen; Heinemann, Stefan H.; Neugebauer, Ute; Westerhausen, Matthias","Synthesis and solution stability of water-soluble κ(2)N,κO-bis(3,5-dimethylpyrazolyl)ethanol manganese(i) tricarbonyl bromide (CORM-ONN1).","Dalton transactions (Cambridge, England : 2003)","2017","46","5","1684","1693","10.1039/c6dt03551e","","","0.71073","MoKα","","0.0268","0.0256","","","0.0599","0.0606","","","","","","1.046","","","","has coordinates","191652","2020-10-21","18:00:00",""
"7041757","13.8488","0.0002","11.0641","0.0003","11.6952","0.0002","90","","98.38","0.001","90","","1772.86","0.06","133","2","133","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C15 H18 Br Mn N4 O4 -","- C15 H18 Br Mn N4 O4 -","- C60 H72 Br4 Mn4 N16 O16 -","4","1","","Mede, Ralf; Traber, Juliane; Klein, Moritz; Görls, Helmar; Gessner, Guido; Hoffmann, Patrick; Schmitt, Michael; Popp, Jürgen; Heinemann, Stefan H.; Neugebauer, Ute; Westerhausen, Matthias","Synthesis and solution stability of water-soluble κ(2)N,κO-bis(3,5-dimethylpyrazolyl)ethanol manganese(i) tricarbonyl bromide (CORM-ONN1).","Dalton transactions (Cambridge, England : 2003)","2017","46","5","1684","1693","10.1039/c6dt03551e","","","0.71073","MoKα","","0.0294","0.0248","","","0.054","0.0565","","","","","","1.063","","","","has coordinates","191652","2020-10-21","18:00:00",""
"7041758","9.3065","0.0003","10.6722","0.0003","16.7643","0.0005","90","","98.598","0.001","90","","1646.33","0.09","133","2","133","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C14 H16 Br Mn N4 O3 -","- C14 H16 Br Mn N4 O3 -","- C56 H64 Br4 Mn4 N16 O12 -","4","1","","Mede, Ralf; Traber, Juliane; Klein, Moritz; Görls, Helmar; Gessner, Guido; Hoffmann, Patrick; Schmitt, Michael; Popp, Jürgen; Heinemann, Stefan H.; Neugebauer, Ute; Westerhausen, Matthias","Synthesis and solution stability of water-soluble κ(2)N,κO-bis(3,5-dimethylpyrazolyl)ethanol manganese(i) tricarbonyl bromide (CORM-ONN1).","Dalton transactions (Cambridge, England : 2003)","2017","46","5","1684","1693","10.1039/c6dt03551e","","","0.71073","MoKα","","0.0328","0.0281","","","0.0636","0.066","","","","","","1.116","","","","has coordinates","191652","2020-10-21","18:00:00",""
"7041759","22.2304","0.0004","22.6767","0.0003","39.9114","0.0004","87.3036","0.001","78.1556","0.0012","62.7423","0.0016","17479.3","0.5","100","0.1","100","0.1","","","","","","","","7","P -1","-P 1","2","(AuAg)45","Au9Ag36(SPhCl2)27(PPh3)6","","- C270 H171 Ag36 Au9 Cl54 P6 S27 -","- C270 H171 Ag36 Au9 Cl54 P6 S27 -","- C540 H342 Ag72 Au18 Cl108 P12 S54 -","2","1","","Huang, Lei; Yan, Juanzhu; Ren, Liting; Teo, Boon K.; Zheng, Nanfeng","Peculiar holes on checkerboard facets of a trigonal prismatic Au9Ag36(SPhCl2)27(PPh3)6 cluster caused by steric hindrance and magic electron count.","Dalton transactions (Cambridge, England : 2003)","2017","46","6","1757","1760","10.1039/c6dt04419k","","x-ray","1.54184","CuKα","","0.0663","0.051","","","0.1308","0.1366","","","","","","1.073","","","","has coordinates,has disorder","193807","2020-10-21","18:00:00",""
"7041760","7.8294","0.0007","10.3796","0.0009","18.2256","0.0016","90","","90","","90","","1481.1","0.2","250","2","250","2","","","","","","","","5","P n m a","-P 2ac 2n","62","","","","- C7 H11 I3 N2 Pb -","- C7 H11 I3 N2 Pb -","- C28 H44 I12 N8 Pb4 -","4","0.5","","Duan, Hai-Bao; Yu, Shan-Shan; Liu, Shao-Xian; Zhang, Hui","An inorganic-organic hybrid crystal with a two-step dielectric response and thermochromic luminescence.","Dalton transactions (Cambridge, England : 2003)","2017","46","7","2220","2227","10.1039/c6dt03691k","","","0.71073","MoKα","","0.0378","0.0301","","","0.0864","0.0907","","","","","","1.078","","","","has coordinates","193829","2020-10-21","18:00:00",""
"7041761","7.853","0.0015","10.418","0.002","18.343","0.004","90","","90","","90","","1500.7","0.5","350","2","350","2","","","","","","","","5","P n m a","-P 2ac 2n","62","","","","- C7 H11 I3 N2 Pb -","- C7 H11 I3 N2 Pb -","- C28 H44 I12 N8 Pb4 -","4","0.5","","Duan, Hai-Bao; Yu, Shan-Shan; Liu, Shao-Xian; Zhang, Hui","An inorganic-organic hybrid crystal with a two-step dielectric response and thermochromic luminescence.","Dalton transactions (Cambridge, England : 2003)","2017","46","7","2220","2227","10.1039/c6dt03691k","","","0.71073","MoKα","","0.0842","0.0729","","","0.1928","0.2016","","","","","","1.024","","","","has coordinates","193829","2020-10-21","18:00:00",""
"7041762","7.8158","0.0008","10.3604","0.001","18.175","0.0018","90","","90","","90","","1471.7","0.3","200","2","200","2","","","","","","","","5","P n m a","-P 2ac 2n","62","","","","- C7 H11 I3 N2 Pb -","- C7 H11 I3 N2 Pb -","- C28 H44 I12 N8 Pb4 -","4","0.5","","Duan, Hai-Bao; Yu, Shan-Shan; Liu, Shao-Xian; Zhang, Hui","An inorganic-organic hybrid crystal with a two-step dielectric response and thermochromic luminescence.","Dalton transactions (Cambridge, England : 2003)","2017","46","7","2220","2227","10.1039/c6dt03691k","","","0.71073","MoKα","","0.0391","0.0333","","","0.0868","0.0902","","","","","","1.076","","","","has coordinates","193829","2020-10-21","18:00:00",""
"7041763","7.8382","0.0006","10.3922","0.0007","18.2707","0.0013","90","","90","","90","","1488.26","0.19","300","2","300","2","","","","","","","","5","P n m a","-P 2ac 2n","62","","","","- C7 H11 I3 N2 Pb -","- C7 H11 I3 N2 Pb -","- C28 H44 I12 N8 Pb4 -","4","0.5","","Duan, Hai-Bao; Yu, Shan-Shan; Liu, Shao-Xian; Zhang, Hui","An inorganic-organic hybrid crystal with a two-step dielectric response and thermochromic luminescence.","Dalton transactions (Cambridge, England : 2003)","2017","46","7","2220","2227","10.1039/c6dt03691k","","","0.71073","MoKα","","0.0708","0.0666","","","0.1886","0.1941","","","","","","1.064","","","","has coordinates,has disorder","193829","2020-10-21","18:00:00",""
"7041764","7.8023","0.0009","10.3378","0.0012","18.12","0.002","90","","90","","90","","1461.5","0.3","150","2","150","2","","","","","","","","5","P n m a","-P 2ac 2n","62","","","","- C7 H11 I3 N2 Pb -","- C7 H11 I3 N2 Pb -","- C28 H44 I12 N8 Pb4 -","4","0.5","","Duan, Hai-Bao; Yu, Shan-Shan; Liu, Shao-Xian; Zhang, Hui","An inorganic-organic hybrid crystal with a two-step dielectric response and thermochromic luminescence.","Dalton transactions (Cambridge, England : 2003)","2017","46","7","2220","2227","10.1039/c6dt03691k","","","0.71073","","","0.0371","0.033","","","0.0879","0.0903","","","","","","1.104","","","","has coordinates","193829","2020-10-21","18:00:00",""
"7041765","41.2312","0.0007","41.2312","0.0007","41.2312","0.0007","90","","90","","90","","70094","2","173","0.14","173","0.14","","","","","","","","8","I a -3","-I 2b 2c 3","206","","","","- C162 H176 Cl3 Fe7 N18 O64 S6 Si12 -","- C162 H176 Cl3 Fe7 N18 O64.0004 S6 Si12 -","- C1296 H1408 Cl24 Fe56 N144 O512.003 S48 Si96 -","8","0.166667","","Shova, Sergiu; Cazacu, Maria; Novitchi, Ghenadie; Zoppellaro, Giorgio; Train, Cyrille; Arion, Vladimir B.","An iron(iii)-centred ferric wheel Fe⊂{Fe6} with a siloxane-based bis-salicylidene Schiff base.","Dalton transactions (Cambridge, England : 2003)","2017","46","6","1789","1793","10.1039/c7dt00141j","","","0.7107","MoKα","","0.296","0.1175","","","0.1572","0.1919","","","","","","1.248","","","","has coordinates,has disorder","193808","2020-10-21","18:00:00",""
"7041766","26.751","0.0003","15.13554","0.00018","22.5819","0.0003","90","","90","","90","","9143.2","0.19","173","2","173","2","","","","","","","","6","P n a 21","P 2c -2n","33","","","","- C84 H117 Cu6 I2 N10 O1.5 -","- C84 H117 Cu6 I2 N10 O1.5 -","- C336 H468 Cu24 I8 N40 O6 -","4","1","","Phanopoulos, Andreas; Warren, Mark; White, Andrew J. P.; Horton, Andrew; Crimmin, Mark R.","Isolation of an unusual [Cu6] nanocluster through sequential addition of copper(i) to a polynucleating ligand.","Dalton transactions (Cambridge, England : 2003)","2017","46","7","2077","2080","10.1039/c6dt04703c","","","1.54184","CuKα","","0.0532","0.042","","","0.0963","0.1059","","","","","","1.023","","","","has coordinates","193816","2020-10-21","18:00:00",""
"7041767","26.77","0.0005","15.1245","0.0003","22.514","0.0004","90","","90","","90","","9115.5","0.3","173","2","173","2","","","","","","","","6","P n a 21","P 2c -2n","33","","","","- C84 H117 Cu6 I2 N10 O1.5 -","- C84 H117 Cu6 I2 N10 O1.5 -","- C336 H468 Cu24 I8 N40 O6 -","4","1","","Phanopoulos, Andreas; Warren, Mark; White, Andrew J. P.; Horton, Andrew; Crimmin, Mark R.","Isolation of an unusual [Cu6] nanocluster through sequential addition of copper(i) to a polynucleating ligand.","Dalton transactions (Cambridge, England : 2003)","2017","46","7","2077","2080","10.1039/c6dt04703c","","","0.71073","MoKα","","0.0448","0.0345","","","0.0789","0.0854","","","","","","1.052","","","","has coordinates,has disorder","193816","2020-10-21","18:00:00",""
"7041768","26.805","0.0006","11.3607","0.0004","27.7024","0.0007","90","","98.596","0.002","90","","8341.3","0.4","300","","300","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","Cu4 cluster","","- C86 H122 Cu4 N10 O2 -","- C86 H122 Cu4 N10 O2 -","- C344 H488 Cu16 N40 O8 -","4","1","","Phanopoulos, Andreas; Warren, Mark; White, Andrew J. P.; Horton, Andrew; Crimmin, Mark R.","Isolation of an unusual [Cu6] nanocluster through sequential addition of copper(i) to a polynucleating ligand.","Dalton transactions (Cambridge, England : 2003)","2017","46","7","2077","2080","10.1039/c6dt04703c","","x-ray","0.6889","synchrotron","","0.0869","0.0515","","","0.1176","0.1333","","","","","","1.0086","","","","has coordinates,has disorder","193816","2020-10-21","18:00:00",""
"7041769","6.69282","0.00016","12.4642","0.0002","22.3387","0.0004","90","","98.414","0.002","90","","1843.45","0.06","100.01","0.1","100.01","0.1","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C16 H14 F6 Si3 -","- C16 H14 F6 Si3 -","- C64 H56 F24 Si12 -","4","1","","Horstmann, Jan; Niemann, Mark; Berthold, Katarína; Mix, Andreas; Neumann, Beate; Stammler, Hans-Georg; Mitzel, Norbert W.","Fluoride complexation by bidentate silicon Lewis acids.","Dalton transactions (Cambridge, England : 2003)","2017","46","6","1898","1913","10.1039/c6dt04608h","","x-ray","1.54184","CuKα","","0.045","0.039","","","0.1","0.1048","","","","","","1.045","","","","has coordinates,has disorder","193805","2020-10-21","18:00:00",""
"7041770","9.62226","0.00018","14.66422","0.00019","12.5895","0.0002","90","","99.8129","0.0018","90","","1750.43","0.05","100","0.1","100","0.1","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C28 H42 F7 K O6 Si3 -","- C28 H42 F7 K O6 Si3 -","- C56 H84 F14 K2 O12 Si6 -","2","1","","Horstmann, Jan; Niemann, Mark; Berthold, Katarína; Mix, Andreas; Neumann, Beate; Stammler, Hans-Georg; Mitzel, Norbert W.","Fluoride complexation by bidentate silicon Lewis acids.","Dalton transactions (Cambridge, England : 2003)","2017","46","6","1898","1913","10.1039/c6dt04608h","","x-ray","1.54184","CuKα","","0.0476","0.0466","","","0.1284","0.1299","","","","","","1.032","","","","has coordinates,has disorder","193805","2020-10-21","18:00:00",""
"7041771","17.2081","0.0009","11.5831","0.0008","11.3044","0.0007","90","","90.81","0.005","90","","2253","0.2","99.9","0.2","99.9","0.2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C16 H14 Cl6 Si3 -","- C16 H14 Cl6 Si3 -","- C64 H56 Cl24 Si12 -","4","0.5","","Horstmann, Jan; Niemann, Mark; Berthold, Katarína; Mix, Andreas; Neumann, Beate; Stammler, Hans-Georg; Mitzel, Norbert W.","Fluoride complexation by bidentate silicon Lewis acids.","Dalton transactions (Cambridge, England : 2003)","2017","46","6","1898","1913","10.1039/c6dt04608h","","x-ray","1.54184","CuKα","","0.063","0.0595","","","0.1419","0.1454","","","","","","1.079","","","","has coordinates","193805","2020-10-21","18:00:00",""
"7041772","17.3643","0.0004","11.5112","0.0003","11.442","0.0003","90","","90.416","0.003","90","","2287.01","0.1","100","0.1","100","0.1","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C20 H26 Cl2 Si3 -","- C20 H26 Cl2 Si3 -","- C80 H104 Cl8 Si12 -","4","0.5","","Horstmann, Jan; Niemann, Mark; Berthold, Katarína; Mix, Andreas; Neumann, Beate; Stammler, Hans-Georg; Mitzel, Norbert W.","Fluoride complexation by bidentate silicon Lewis acids.","Dalton transactions (Cambridge, England : 2003)","2017","46","6","1898","1913","10.1039/c6dt04608h","","x-ray","0.71073","MoKα","","0.0383","0.0323","","","0.0826","0.0848","","","","","","1.076","","","","has coordinates","193805","2020-10-21","18:00:00",""
"7041773","11.42848","0.00016","14.5458","0.0002","20.6353","0.0003","101.002","0.0012","99.0164","0.0012","106.203","0.0012","3152.29","0.08","100.01","0.1","100.01","0.1","","","","","","","","7","P -1","-P 1","2","","","","- C52 H90 F8 K2 N4 O12 Si3 -","- C52 H90 F8 K2 N4 O12 Si3 -","- C104 H180 F16 K4 N8 O24 Si6 -","2","1","","Horstmann, Jan; Niemann, Mark; Berthold, Katarína; Mix, Andreas; Neumann, Beate; Stammler, Hans-Georg; Mitzel, Norbert W.","Fluoride complexation by bidentate silicon Lewis acids.","Dalton transactions (Cambridge, England : 2003)","2017","46","6","1898","1913","10.1039/c6dt04608h","","x-ray","1.54184","CuKα","","0.0321","0.0308","","","0.0802","0.0813","","","","","","1.048","","","","has coordinates,has disorder","193805","2020-10-21","18:00:00",""
"7041774","9.6707","0.0003","14.7072","0.0003","12.2271","0.0003","90","","100.137","0.003","90","","1711.9","0.08","99.93","0.16","99.93","0.16","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C28 H38 F7 K O6 Si3 -","- C28 H38 F7 K O6 Si3 -","- C56 H76 F14 K2 O12 Si6 -","2","1","","Horstmann, Jan; Niemann, Mark; Berthold, Katarína; Mix, Andreas; Neumann, Beate; Stammler, Hans-Georg; Mitzel, Norbert W.","Fluoride complexation by bidentate silicon Lewis acids.","Dalton transactions (Cambridge, England : 2003)","2017","46","6","1898","1913","10.1039/c6dt04608h","","x-ray","1.54184","CuKα","","0.0478","0.0425","","","0.1072","0.1116","","","","","","1.038","","","","has coordinates,has disorder","193805","2020-10-21","18:00:00",""
"7041775","9.58517","0.0001","15.67457","0.00013","13.23279","0.00017","90","","109.178","0.0012","90","","1877.81","0.04","100.01","0.1","100.01","0.1","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C16 H18 F6 Si3 -","- C16 H18 F6 Si3 -","- C64 H72 F24 Si12 -","4","1","","Horstmann, Jan; Niemann, Mark; Berthold, Katarína; Mix, Andreas; Neumann, Beate; Stammler, Hans-Georg; Mitzel, Norbert W.","Fluoride complexation by bidentate silicon Lewis acids.","Dalton transactions (Cambridge, England : 2003)","2017","46","6","1898","1913","10.1039/c6dt04608h","","x-ray","1.54184","CuKα","","0.0288","0.0284","","","0.0708","0.0711","","","","","","1.032","","","","has coordinates","193805","2020-10-21","18:00:00",""
"7041776","9.06686","0.00012","7.54672","0.00009","19.5187","0.0002","90","","101.186","0.0013","90","","1310.2","0.03","100","0.1","100","0.1","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C16 H12 Si -","- C16 H12 Si -","- C64 H48 Si4 -","4","1","","Horstmann, Jan; Niemann, Mark; Berthold, Katarína; Mix, Andreas; Neumann, Beate; Stammler, Hans-Georg; Mitzel, Norbert W.","Fluoride complexation by bidentate silicon Lewis acids.","Dalton transactions (Cambridge, England : 2003)","2017","46","6","1898","1913","10.1039/c6dt04608h","","x-ray","0.71073","MoKα","","0.0333","0.0318","","","0.0922","0.0932","","","","","","1.133","","","","has coordinates","193805","2020-10-21","18:00:00",""
"7041777","11.25235","0.00013","14.6618","0.0002","20.6823","0.0002","102.481","0.001","98.946","0.0009","105.135","0.0011","3133.61","0.07","100.01","0.11","100.01","0.11","","","","","","","","7","P -1","-P 1","2","","","","- C52 H86 F8 K2 N4 O12 Si3 -","- C52 H86 F8 K2 N4 O12 Si3 -","- C104 H172 F16 K4 N8 O24 Si6 -","2","1","","Horstmann, Jan; Niemann, Mark; Berthold, Katarína; Mix, Andreas; Neumann, Beate; Stammler, Hans-Georg; Mitzel, Norbert W.","Fluoride complexation by bidentate silicon Lewis acids.","Dalton transactions (Cambridge, England : 2003)","2017","46","6","1898","1913","10.1039/c6dt04608h","","x-ray","0.71073","MoKα","","0.0435","0.0368","","","0.0899","0.0935","","","","","","1.036","","","","has coordinates,has disorder","193805","2020-10-21","18:00:00",""
"7041778","21.7113","0.0011","21.7113","0.0011","7.4439","0.0005","90","","90","","90","","3508.9","0.3","293","2","293","2","","","","","","","","5","P 42/n :2","-P 4bc","86","C92 H52 N20 Mn2 P","","","- C92 H52 Mn2 N20 P -","- C92 H52 Mn2 N20 P -","- C184 H104 Mn4 N40 P2 -","2","0.25","","Matsuda, Masaki; Yoshida, Gosuke; Yamaura, Jun-Ichi; Inabe, Tamotsu; Tajima, Hiroyuki","The magnetoresistance effect in a conducting molecular crystal consisting of dicyano(phthalocyaninato)manganese(iii).","Dalton transactions (Cambridge, England : 2003)","2017","46","6","1892","1897","10.1039/c6dt04481f","","","0.71069","MoKα","","0.0848","0.0448","","","0.0705","0.0776","","","","","","0.702","","","","has coordinates","193806","2020-10-21","18:00:00",""
"7041779","13.4277","0.0008","13.808","0.0007","14.315","0.0008","99.766","0.004","110.966","0.006","92.373","0.004","2427.4","0.3","173","2","173","2","","","","","","","","4","P -1","-P 1","2","","","","- C53 H71 Cu2 N5 -","- C53 H71 Cu2 N5 -","- C106 H142 Cu4 N10 -","2","1","","Phanopoulos, Andreas; Leung, Alice H. M.; Yow, Shuhui; Palomas, David; White, Andrew J. P.; Hellgardt, Klaus; Horton, Andrew; Crimmin, Mark R.","Binuclear β-diketiminate complexes of copper(i).","Dalton transactions (Cambridge, England : 2003)","2017","46","7","2081","2090","10.1039/c6dt04246e","","","0.71073","MoKα","","0.0741","0.0382","","","0.0682","0.0724","","","","","","0.818","","","","has coordinates","193824","2020-10-21","18:00:00",""
"7041780","14.247","0.0012","9.3174","0.0009","31.077","0.003","90","","92.632","0.008","90","","4121","0.7","173","2","173","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C46 H58 N4 O -","- C46 H58 N4 O -","- C184 H232 N16 O4 -","4","1","","Phanopoulos, Andreas; Leung, Alice H. M.; Yow, Shuhui; Palomas, David; White, Andrew J. P.; Hellgardt, Klaus; Horton, Andrew; Crimmin, Mark R.","Binuclear β-diketiminate complexes of copper(i).","Dalton transactions (Cambridge, England : 2003)","2017","46","7","2081","2090","10.1039/c6dt04246e","","","1.54184","CuKα","","0.128","0.086","","","0.2694","0.3064","","","","","","1.05","","","","has coordinates,has disorder","193824","2020-10-21","18:00:00",""
"7041781","13.1519","0.0006","13.7723","0.0006","14.9883","0.0006","69.349","0.004","89.209","0.003","84.603","0.004","2528.6","0.2","173","2","173","2","","","","","","","","5","P -1","-P 1","2","","","","- C53 H77 Cu2 N5 O -","- C53 H77 Cu2 N5 O -","- C106 H154 Cu4 N10 O2 -","2","1","","Phanopoulos, Andreas; Leung, Alice H. M.; Yow, Shuhui; Palomas, David; White, Andrew J. P.; Hellgardt, Klaus; Horton, Andrew; Crimmin, Mark R.","Binuclear β-diketiminate complexes of copper(i).","Dalton transactions (Cambridge, England : 2003)","2017","46","7","2081","2090","10.1039/c6dt04246e","","","0.71073","MoKα","","0.0553","0.0387","","","0.0858","0.0951","","","","","","1.015","","","","has coordinates","193824","2020-10-21","18:00:00",""
"7041782","31.4335","0.001","16.249","0.0005","17.1849","0.0005","90","","104.828","0.003","90","","8485.1","0.5","173","2","173","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C44.5 H70.5 N4 -","- C44.5 H70.5 N4 -","- C356 H564 N32 -","8","2","","Phanopoulos, Andreas; Leung, Alice H. M.; Yow, Shuhui; Palomas, David; White, Andrew J. P.; Hellgardt, Klaus; Horton, Andrew; Crimmin, Mark R.","Binuclear β-diketiminate complexes of copper(i).","Dalton transactions (Cambridge, England : 2003)","2017","46","7","2081","2090","10.1039/c6dt04246e","","","0.71073","MoKα","","0.1147","0.0658","","","0.1359","0.162","","","","","","1.035","","","","has coordinates,has disorder","193824","2020-10-21","18:00:00",""
"7041783","18.3602","0.0008","12.4769","0.0005","10.1119","0.0004","90","","103.858","0.005","90","","2248.99","0.17","173","2","173","2","","","","","","","","4","C 1 2 1","C 2y","5","","","","- C49 H61 Cu2 N7 -","- C49 H61 Cu2 N7 -","- C98 H122 Cu4 N14 -","2","0.5","","Phanopoulos, Andreas; Leung, Alice H. M.; Yow, Shuhui; Palomas, David; White, Andrew J. P.; Hellgardt, Klaus; Horton, Andrew; Crimmin, Mark R.","Binuclear β-diketiminate complexes of copper(i).","Dalton transactions (Cambridge, England : 2003)","2017","46","7","2081","2090","10.1039/c6dt04246e","","","0.71073","MoKα","","0.0496","0.0406","","","0.0888","0.0946","","","","","","1.023","","","","has coordinates","193824","2020-10-21","18:00:00",""
"7041784","12.5893","0.0003","17.0144","0.0005","18.6054","0.0005","67.89","0.003","78.6668","0.0019","75.182","0.002","3546.98","0.18","173","2","173","2","","","","","","","","6","P -1","-P 1","2","","","","- C79 H91 Cu2 N5 O P2 -","- C79 H91 Cu2 N5 O P2 -","- C158 H182 Cu4 N10 O2 P4 -","2","1","","Phanopoulos, Andreas; Leung, Alice H. M.; Yow, Shuhui; Palomas, David; White, Andrew J. P.; Hellgardt, Klaus; Horton, Andrew; Crimmin, Mark R.","Binuclear β-diketiminate complexes of copper(i).","Dalton transactions (Cambridge, England : 2003)","2017","46","7","2081","2090","10.1039/c6dt04246e","","","1.54184","CuKα","","0.0442","0.0362","","","0.0942","0.1019","","","","","","1.019","","","","has coordinates,has disorder","193824","2020-10-21","18:00:00",""
"7041785","11.5523","0.0003","16.7641","0.0004","20.9664","0.0005","88.7166","0.0019","78.054","0.002","85.895","0.002","3962.19","0.17","173","2","173","2","","","","","","","","6","P -1","-P 1","2","","","","- C88 H112 Cu2 N4 O3 P2 -","- C88 H112 Cu2 N4 O3 P2 -","- C176 H224 Cu4 N8 O6 P4 -","2","1","","Phanopoulos, Andreas; Leung, Alice H. M.; Yow, Shuhui; Palomas, David; White, Andrew J. P.; Hellgardt, Klaus; Horton, Andrew; Crimmin, Mark R.","Binuclear β-diketiminate complexes of copper(i).","Dalton transactions (Cambridge, England : 2003)","2017","46","7","2081","2090","10.1039/c6dt04246e","","","0.71073","MoKα","","0.0588","0.042","","","0.1036","0.1139","","","","","","1.021","","","","has coordinates,has disorder","193824","2020-10-21","18:00:00",""
"7041786","14.7652","0.0002","17.8395","0.0004","23.9383","0.0004","90","","98.5171","0.0017","90","","6235.9","0.2","173","2","173","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C68 H82 Cu2 N5 P2 -","- C68 H82 Cu2 N5 P2 -","- C272 H328 Cu8 N20 P8 -","4","1","","Phanopoulos, Andreas; Leung, Alice H. M.; Yow, Shuhui; Palomas, David; White, Andrew J. P.; Hellgardt, Klaus; Horton, Andrew; Crimmin, Mark R.","Binuclear β-diketiminate complexes of copper(i).","Dalton transactions (Cambridge, England : 2003)","2017","46","7","2081","2090","10.1039/c6dt04246e","","","0.71073","MoKα","","0.0552","0.0363","","","0.0801","0.0905","","","","","","1.055","","","","has coordinates,has disorder","193824","2020-10-21","18:00:00",""
"7041787","12.7327","0.0003","16.8122","0.0005","18.6974","0.0007","67.156","0.003","76.696","0.003","74.461","0.003","3517.7","0.2","173","2","173","2","","","","","","","","6","P -1","-P 1","2","","","","- C79 H89 Cu2 N5 O P2 -","- C79 H89 Cu2 N5 O P2 -","- C158 H178 Cu4 N10 O2 P4 -","2","1","","Phanopoulos, Andreas; Leung, Alice H. M.; Yow, Shuhui; Palomas, David; White, Andrew J. P.; Hellgardt, Klaus; Horton, Andrew; Crimmin, Mark R.","Binuclear β-diketiminate complexes of copper(i).","Dalton transactions (Cambridge, England : 2003)","2017","46","7","2081","2090","10.1039/c6dt04246e","","","0.71073","MoKα","","0.0576","0.0383","","","0.086","0.0963","","","","","","1.011","","","","has coordinates,has disorder","193824","2020-10-21","18:00:00",""
"7041788","12.6567","0.0003","13.873","0.0004","24.4443","0.0006","90.544","0.002","104.629","0.002","105.5","0.002","3988.24","0.19","173","2","173","2","","","","","","","","6","P -1","-P 1","2","","","","- C88 H101 Cu2 N4 O2.5 P2 -","- C88 H101 Cu2 N4 O2.5 P2 -","- C176 H202 Cu4 N8 O5 P4 -","2","1","","Phanopoulos, Andreas; Leung, Alice H. M.; Yow, Shuhui; Palomas, David; White, Andrew J. P.; Hellgardt, Klaus; Horton, Andrew; Crimmin, Mark R.","Binuclear β-diketiminate complexes of copper(i).","Dalton transactions (Cambridge, England : 2003)","2017","46","7","2081","2090","10.1039/c6dt04246e","","","0.71073","MoKα","","0.0731","0.0473","","","0.1081","0.1213","","","","","","1.015","","","","has coordinates,has disorder","193824","2020-10-21","18:00:00",""
"7041789","15.2496","0.0004","16.9526","0.0005","11.4962","0.0003","90","","98.699","0.002","90","","2937.81","0.14","83","2","83","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","Cu(II) carbazole Schiff-base macrocycle","","- C30 H43 Cu N4 O3.5 -","- C30 H43 Cu N4 O3.5 -","- C120 H172 Cu4 N16 O14 -","4","1","","Malthus, Stuart J.; Wilson, Rajni K.; Vikas Aggarwal, A.; Cameron, Scott A.; Larsen, David S.; Brooker, Sally","Carbazole-based N4-donor Schiff base macrocycles: obtained metal free and as Cu(ii) and Ni(ii) complexes.","Dalton transactions (Cambridge, England : 2003)","2017","46","10","3141","3149","10.1039/c6dt04598g","","","0.71073","MoKα","","0.0649","0.0422","","","0.1042","0.1213","","","","","","1.102","","","","has coordinates,has disorder","195055","2020-10-21","18:00:00",""
"7041790","6.6646","0.0003","12.9442","0.0004","23.1878","0.0007","90","","90","","90","","2000.36","0.12","100","2","100","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","Ni(II) carbazole Schiff-base macrocycle","","- C22 H26 N4 Ni O3 -","- C22 H26 N4 Ni O3 -","- C88 H104 N16 Ni4 O12 -","4","1","","Malthus, Stuart J.; Wilson, Rajni K.; Vikas Aggarwal, A.; Cameron, Scott A.; Larsen, David S.; Brooker, Sally","Carbazole-based N4-donor Schiff base macrocycles: obtained metal free and as Cu(ii) and Ni(ii) complexes.","Dalton transactions (Cambridge, England : 2003)","2017","46","10","3141","3149","10.1039/c6dt04598g","","","1.54184","CuKα","","0.1005","0.0887","","","0.2532","0.2554","","","","","","1.228","","","","has coordinates,has disorder","195055","2020-10-21","18:00:00",""
"7041791","14.7193","0.0013","18.0109","0.0016","19.568","0.0016","90","","97.773","0.005","90","","5140","0.8","100","2","100","2","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C56 H54 B10 N P3 Pt S -","- C56 H54 B10 N P3 Pt S -","- C224 H216 B40 N4 P12 Pt4 S4 -","4","1","","Crujeiras, Pablo; Rodríguez-Rey, José Luis; Sousa-Pedrares, Antonio","Deactivation of the coordinating ability of the iminophosphorane group by the effect of ortho-carborane.","Dalton transactions (Cambridge, England : 2003)","2017","46","8","2572","2593","10.1039/c6dt04592h","","","0.71073","MoKα","","0.0397","0.026","","","0.0564","0.061","","","","","","1.026","","","","has coordinates","193788","2020-10-21","18:00:00",""
"7041792","12.3514","0.0008","14.71","0.0009","20.6311","0.0013","71.407","0.002","87.315","0.003","67.325","0.002","3265.8","0.4","100","2","100","2","","","","","","","","8","P -1","-P 1","2","","","","- C59 H67 B20 Cl2 N2 P3 Pd S2 -","- C59 H67 B20 Cl2 N2 P3 Pd S2 -","- C118 H134 B40 Cl4 N4 P6 Pd2 S4 -","2","1","","Crujeiras, Pablo; Rodríguez-Rey, José Luis; Sousa-Pedrares, Antonio","Deactivation of the coordinating ability of the iminophosphorane group by the effect of ortho-carborane.","Dalton transactions (Cambridge, England : 2003)","2017","46","8","2572","2593","10.1039/c6dt04592h","","","0.71073","MoKα","","0.0673","0.0388","","","0.0726","0.0806","","","","","","1.015","","","","has coordinates","193788","2020-10-21","18:00:00",""
"7041793","20.8339","0.0008","12.4463","0.0005","20.9452","0.0008","90","","90","","90","","5431.2","0.4","100","2","100","2","","","","","","","","7","P n a 21","P 2c -2n","33","","","","- C57 H56 B10 N P3 Pt S2 -","- C57 H56 B10 N P3 Pt S2 -","- C228 H224 B40 N4 P12 Pt4 S8 -","4","1","","Crujeiras, Pablo; Rodríguez-Rey, José Luis; Sousa-Pedrares, Antonio","Deactivation of the coordinating ability of the iminophosphorane group by the effect of ortho-carborane.","Dalton transactions (Cambridge, England : 2003)","2017","46","8","2572","2593","10.1039/c6dt04592h","","","0.71073","MoKα","","0.035","0.0282","","","0.062","0.064","","","","","","1.035","","","","has coordinates,has disorder","193788","2020-10-21","18:00:00",""
"7041794","13.2739","0.0015","14.8318","0.0014","18.65","0.002","90","","100.915","0.003","90","","3605.3","0.7","100","2","100","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C42 H33 N P2 Pd S -","- C42 H33 N P2 Pd S -","- C168 H132 N4 P8 Pd4 S4 -","4","1","","Crujeiras, Pablo; Rodríguez-Rey, José Luis; Sousa-Pedrares, Antonio","Deactivation of the coordinating ability of the iminophosphorane group by the effect of ortho-carborane.","Dalton transactions (Cambridge, England : 2003)","2017","46","8","2572","2593","10.1039/c6dt04592h","","","0.71073","MoKα","","0.1131","0.0549","","","0.1012","0.1251","","","","","","1.015","","","","has coordinates","193788","2020-10-21","18:00:00",""
"7041795","19.5245","0.0011","17.5596","0.0011","44.352","0.003","90","","90","","90","","15205.7","1.6","100","2","100","2","","","","","","","","7","P b c a","-P 2ac 2ab","61","","","","- C65 H72 B20 N2 P4 Pd S2 -","- C65 H72 B20 N2 P4 Pd S2 -","- C520 H576 B160 N16 P32 Pd8 S16 -","8","1","","Crujeiras, Pablo; Rodríguez-Rey, José Luis; Sousa-Pedrares, Antonio","Deactivation of the coordinating ability of the iminophosphorane group by the effect of ortho-carborane.","Dalton transactions (Cambridge, England : 2003)","2017","46","8","2572","2593","10.1039/c6dt04592h","","","0.71073","MoKα","","0.1311","0.0641","","","0.1283","0.1519","","","","","","1.011","","","","has coordinates","193788","2020-10-21","18:00:00",""
"7041796","11.3649","0.0019","13.447","0.003","17.662","0.004","92.371","0.01","91.565","0.009","91.256","0.009","2695.1","1","100","2","100","2","","","","","","","","6","P -1","-P 1","2","","","","- C40 H50 B20 N2 P2 S3 -","- C40 H50 B20 N2 P2 S3 -","- C80 H100 B40 N4 P4 S6 -","2","1","","Crujeiras, Pablo; Rodríguez-Rey, José Luis; Sousa-Pedrares, Antonio","Deactivation of the coordinating ability of the iminophosphorane group by the effect of ortho-carborane.","Dalton transactions (Cambridge, England : 2003)","2017","46","8","2572","2593","10.1039/c6dt04592h","","","0.71073","MoKα","","0.09","0.0659","","","0.1491","0.1604","","","","","","1.024","","","","has coordinates","193788","2020-10-21","18:00:00",""
"7041797","9.2362","0.0005","9.3086","0.0006","15.2904","0.0011","101.023","0.004","96.99","0.004","107.852","0.004","1205.14","0.14","100","2","100","2","","","","","","","","6","P -1","-P 1","2","","","","- C20 H26 B10 N P S -","- C20 H26 B10 N P S -","- C40 H52 B20 N2 P2 S2 -","2","1","","Crujeiras, Pablo; Rodríguez-Rey, José Luis; Sousa-Pedrares, Antonio","Deactivation of the coordinating ability of the iminophosphorane group by the effect of ortho-carborane.","Dalton transactions (Cambridge, England : 2003)","2017","46","8","2572","2593","10.1039/c6dt04592h","","","0.71073","MoKα","","0.126","0.0719","","","0.1689","0.1873","","","","","","1.094","","","","has coordinates","193788","2020-10-21","18:00:00",""
"7041798","11.1751","0.0009","14.4422","0.0009","14.086","0.0013","90","","90.479","0.004","90","","2273.3","0.3","100","2","100","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C20 H26 B10 N P -","- C20 H26 B10 N P -","- C80 H104 B40 N4 P4 -","4","1","","Crujeiras, Pablo; Rodríguez-Rey, José Luis; Sousa-Pedrares, Antonio","Deactivation of the coordinating ability of the iminophosphorane group by the effect of ortho-carborane.","Dalton transactions (Cambridge, England : 2003)","2017","46","8","2572","2593","10.1039/c6dt04592h","","","0.71073","MoKα","","0.0779","0.0505","","","0.1124","0.128","","","","","","1.031","","","","has coordinates,has disorder","193788","2020-10-21","18:00:00",""
"7041799","12.3152","0.0014","13.293","0.0014","16.4955","0.0017","105.459","0.006","106.507","0.007","99.016","0.007","2415.2","0.5","100","2","100","2","","","","","","","","6","P -1","-P 1","2","","","","- C40 H50 B20 N2 P2 S2 -","- C40 H50 B20 N2 P2 S2 -","- C80 H100 B40 N4 P4 S4 -","2","1","","Crujeiras, Pablo; Rodríguez-Rey, José Luis; Sousa-Pedrares, Antonio","Deactivation of the coordinating ability of the iminophosphorane group by the effect of ortho-carborane.","Dalton transactions (Cambridge, England : 2003)","2017","46","8","2572","2593","10.1039/c6dt04592h","","","0.71073","MoKα","","0.0984","0.0566","","","0.1274","0.1476","","","","","","1.043","","","","has coordinates","193788","2020-10-21","18:00:00",""
"7041800","13.0843","0.0005","20.6736","0.0007","29.9704","0.0009","90","","91.598","0.002","90","","8103.8","0.5","100","2","100","2","","","","","","","","8","P 1 21/c 1","-P 2ybc","14","","","","- C68 H76 B20 Cl6 N2 P4 Pd S2 -","- C68 H76 B20 Cl6 N2 P4 Pd S2 -","- C272 H304 B80 Cl24 N8 P16 Pd4 S8 -","4","1","","Crujeiras, Pablo; Rodríguez-Rey, José Luis; Sousa-Pedrares, Antonio","Deactivation of the coordinating ability of the iminophosphorane group by the effect of ortho-carborane.","Dalton transactions (Cambridge, England : 2003)","2017","46","8","2572","2593","10.1039/c6dt04592h","","","0.71073","MoKα","","0.0874","0.0652","","","0.1687","0.1855","","","","","","1.039","","","","has coordinates","193788","2020-10-21","18:00:00",""
"7041801","8.9531","0.0008","9.3607","0.0009","16.1914","0.0016","99.553","0.006","104.144","0.005","105.2","0.005","1230.8","0.2","100","2","100","2","","","","","","","","6","P -1","-P 1","2","","","","- C21 H28 B10 N P S -","- C21 H28 B10 N P S -","- C42 H56 B20 N2 P2 S2 -","2","1","","Crujeiras, Pablo; Rodríguez-Rey, José Luis; Sousa-Pedrares, Antonio","Deactivation of the coordinating ability of the iminophosphorane group by the effect of ortho-carborane.","Dalton transactions (Cambridge, England : 2003)","2017","46","8","2572","2593","10.1039/c6dt04592h","","","0.71073","MoKα","","0.0507","0.0452","","","0.116","0.12","","","","","","1.065","","","","has coordinates","193788","2020-10-21","18:00:00",""
"7041802","11.9947","0.0012","15.9662","0.0015","16.0932","0.0016","108.061","0.005","108.609","0.005","105.405","0.005","2539.5","0.5","100","2","100","2","","","","","","","","6","P -1","-P 1","2","","","","- C42 H54 B20 N2 P2 S4 -","- C42 H54 B20 N2 P2 S4 -","- C84 H108 B40 N4 P4 S8 -","2","1","","Crujeiras, Pablo; Rodríguez-Rey, José Luis; Sousa-Pedrares, Antonio","Deactivation of the coordinating ability of the iminophosphorane group by the effect of ortho-carborane.","Dalton transactions (Cambridge, England : 2003)","2017","46","8","2572","2593","10.1039/c6dt04592h","","","0.71073","MoKα","","0.0507","0.0378","","","0.0874","0.0941","","","","","","1.03","","","","has coordinates","193788","2020-10-21","18:00:00",""
"7041803","43.064","0.002","9.2965","0.0004","17.5771","0.0008","90","","90","","90","","7036.9","0.5","150","","150","","","","","","","","","6","P c c n","-P 2ab 2ac","56","","","","- C60 H90 Cl6 Hg3 N10 O8 -","- C60 H90 Cl6 Hg3 N10 O8 -","- C240 H360 Cl24 Hg12 N40 O32 -","4","0.5","","Ikeda, Mari; Sah, Ajay Kumar; Iwase, Miki; Murashige, Rina; Ishi-I, Jun-Ichi; Hasegawa, Masatoshi; Kachi-Terajima, Chihiro; Park, Ki-Min; Kuwahara, Shunsuke; Habata, Yoichi","C-HCl(-) hydrogen bonds in solution and in the solid-state: HgCl2 complexes with cyclen-based cryptands.","Dalton transactions (Cambridge, England : 2003)","2017","46","12","3800","3804","10.1039/c6dt03390c","","","0.71073","MoKα","","0.0969","0.0787","","","0.2036","0.2148","","","","","","1.115","","","","has coordinates","195117","2020-10-21","18:00:00",""
"7041804","46.221","0.002","8.9997","0.0004","17.4129","0.0008","90","","90","","90","","7243.3","0.6","150","","150","","","","","","","","","6","P c c a","-P 2a 2ac","54","","","","- C62 H96 Cl6 N11 O9.5 Zn3 -","- C62 H93 Cl6 N11 O9.5 Zn3 -","- C248 H372 Cl24 N44 O38 Zn12 -","4","0.5","","Ikeda, Mari; Sah, Ajay Kumar; Iwase, Miki; Murashige, Rina; Ishi-I, Jun-Ichi; Hasegawa, Masatoshi; Kachi-Terajima, Chihiro; Park, Ki-Min; Kuwahara, Shunsuke; Habata, Yoichi","C-HCl(-) hydrogen bonds in solution and in the solid-state: HgCl2 complexes with cyclen-based cryptands.","Dalton transactions (Cambridge, England : 2003)","2017","46","12","3800","3804","10.1039/c6dt03390c","","","0.71073","MoKα","","0.0952","0.0757","","","0.1835","0.2","","","","","","1.221","","","","has coordinates,has disorder","195117","2020-10-21","18:00:00",""
"7041805","10.0106","0.0004","14.818","0.0007","22.5591","0.001","90","","101.129","0.002","90","","3283.4","0.3","123","","123","","","","","","","","see text","6","P 1 21/n 1","-P 2yn","14","","","","- C76 H84 Au2 B2 N8 O2 -","- C76 H84 Au2 B2 N8 O2 -","- C152 H168 Au4 B4 N16 O4 -","2","0.5","","Rieb, Julia; Dominelli, Bruno; Mayer, David; Jandl, Christian; Drechsel, Jonas; Heydenreuter, Wolfgang; Sieber, Stephan A.; Kühn, Fritz E","Influence of wing-tip substituents and reaction conditions on the structure, properties and cytotoxicity of Ag(i)- and Au(i)-bis(NHC) complexes.","Dalton transactions (Cambridge, England : 2003)","2017","46","8","2722","2735","10.1039/c6dt04559f","","x-ray","0.71073","MoKα","","0.0394","0.0259","","","0.0454","0.0495","","","","","","1.027","","","","has coordinates,has disorder","211179","2020-10-21","18:00:00",""
"7041806","12.4267","0.0009","15.8703","0.0011","30.676","0.002","90","","100.465","0.005","90","","5949.1","0.7","100","","100","","","","","","","","see text","7","P 1 21/c 1","-P 2ybc","14","","","","- C54 H63 Ag2 F12 N9 O2.14 P2 -","- C54 H63 Ag2 F12 N9 O2.138 P2 -","- C216 H252 Ag8 F48 N36 O8.552 P8 -","4","1","","Rieb, Julia; Dominelli, Bruno; Mayer, David; Jandl, Christian; Drechsel, Jonas; Heydenreuter, Wolfgang; Sieber, Stephan A.; Kühn, Fritz E","Influence of wing-tip substituents and reaction conditions on the structure, properties and cytotoxicity of Ag(i)- and Au(i)-bis(NHC) complexes.","Dalton transactions (Cambridge, England : 2003)","2017","46","8","2722","2735","10.1039/c6dt04559f","","x-ray","0.71073","MoKα","","0.0656","0.0451","","","0.0931","0.1015","","","","","","1.02","","","","has coordinates","193791","2020-10-21","18:00:00",""
"7041807","8.1974","0.0003","23.8226","0.0009","12.3123","0.0004","90","","90.292","0.001","90","","2404.36","0.15","100","","100","","","","","","","","see text","7","P 1 21/c 1","-P 2ybc","14","","","","- C36 H64 Au2 F12 N8 O4 P2 -","- C36 H64 Au2 F12 N8 O4 P2 -","- C72 H128 Au4 F24 N16 O8 P4 -","2","0.5","","Rieb, Julia; Dominelli, Bruno; Mayer, David; Jandl, Christian; Drechsel, Jonas; Heydenreuter, Wolfgang; Sieber, Stephan A.; Kühn, Fritz E","Influence of wing-tip substituents and reaction conditions on the structure, properties and cytotoxicity of Ag(i)- and Au(i)-bis(NHC) complexes.","Dalton transactions (Cambridge, England : 2003)","2017","46","8","2722","2735","10.1039/c6dt04559f","","x-ray","0.71073","MoKα","","0.0216","0.018","","","0.0346","0.0353","","","","","","1.131","","","","has coordinates,has disorder","211179","2020-10-21","18:00:00",""
"7041808","10.98","0.002","14.28","0.003","14.447","0.003","102.95","0.011","98.253","0.011","109.318","0.011","2024.1","0.7","100","","100","","","","","","","","see text","7","P -1","-P 1","2","","","","- C84 H108 Ag2 B2 N8 O6 S4 -","- C84 H108 Ag2 B2 N8 O6 S4 -","- C84 H108 Ag2 B2 N8 O6 S4 -","1","0.5","","Rieb, Julia; Dominelli, Bruno; Mayer, David; Jandl, Christian; Drechsel, Jonas; Heydenreuter, Wolfgang; Sieber, Stephan A.; Kühn, Fritz E","Influence of wing-tip substituents and reaction conditions on the structure, properties and cytotoxicity of Ag(i)- and Au(i)-bis(NHC) complexes.","Dalton transactions (Cambridge, England : 2003)","2017","46","8","2722","2735","10.1039/c6dt04559f","","x-ray","0.71073","MoKα","","0.0311","0.0267","","","0.0659","0.0682","","","","","","1.04","","","","has coordinates","211179","2020-10-21","18:00:00",""
"7041809","12.7112","0.0007","22.4182","0.0011","13.1902","0.0007","90","","106.398","0.0016","90","","3605.8","0.3","100","","100","","","","","","","","see text","7","P 1 21 1","P 2yb","4","","","","- C64 H84 Au2 F12 N8 O5 P2 -","- C64 H84 Au2 F12 N8 O5 P2 -","- C128 H168 Au4 F24 N16 O10 P4 -","2","1","","Rieb, Julia; Dominelli, Bruno; Mayer, David; Jandl, Christian; Drechsel, Jonas; Heydenreuter, Wolfgang; Sieber, Stephan A.; Kühn, Fritz E","Influence of wing-tip substituents and reaction conditions on the structure, properties and cytotoxicity of Ag(i)- and Au(i)-bis(NHC) complexes.","Dalton transactions (Cambridge, England : 2003)","2017","46","8","2722","2735","10.1039/c6dt04559f","","x-ray","0.71073","MoKα","","0.0205","0.0186","","","0.0365","0.0369","","","","","","1.111","","","","has coordinates,has disorder","211179","2020-10-21","18:00:00",""
"7041810","9.9899","0.0007","14.7429","0.0009","22.6289","0.0014","90","","100.939","0.003","90","","3272.2","0.4","123","","123","","","","","","","","see text","6","P 1 21/n 1","-P 2yn","14","","","","- C76 H84 Ag2 B2 N8 O2 -","- C76 H84 Ag2 B2 N8 O2 -","- C152 H168 Ag4 B4 N16 O4 -","2","0.5","","Rieb, Julia; Dominelli, Bruno; Mayer, David; Jandl, Christian; Drechsel, Jonas; Heydenreuter, Wolfgang; Sieber, Stephan A.; Kühn, Fritz E","Influence of wing-tip substituents and reaction conditions on the structure, properties and cytotoxicity of Ag(i)- and Au(i)-bis(NHC) complexes.","Dalton transactions (Cambridge, England : 2003)","2017","46","8","2722","2735","10.1039/c6dt04559f","","x-ray","0.71073","MoKα","","0.0319","0.0286","","","0.0711","0.0735","","","","","","1.033","","","","has coordinates","211179","2020-10-21","18:00:00",""
"7041811","11.9017","0.0004","15.3089","0.0005","17.2755","0.0005","102.96","0.001","105.72","0.001","98.213","0.001","2882.32","0.16","100","","100","","","","","","","","see text","5","P -1","-P 1","2","","","","- C68 H76 B2 N4 O3 -","- C68 H76 B2 N4 O3 -","- C136 H152 B4 N8 O6 -","2","1","","Rieb, Julia; Dominelli, Bruno; Mayer, David; Jandl, Christian; Drechsel, Jonas; Heydenreuter, Wolfgang; Sieber, Stephan A.; Kühn, Fritz E","Influence of wing-tip substituents and reaction conditions on the structure, properties and cytotoxicity of Ag(i)- and Au(i)-bis(NHC) complexes.","Dalton transactions (Cambridge, England : 2003)","2017","46","8","2722","2735","10.1039/c6dt04559f","","x-ray","0.71073","MoKα","","0.0608","0.0446","","","0.0932","0.1008","","","","","","1.068","","","","has coordinates","211179","2020-10-21","18:00:00",""
"7041812","8.2134","0.0011","23.932","0.003","12.3064","0.0014","90","","90.035","0.007","90","","2419","0.5","123","","123","","","","","","","","see text","7","P 1 21/c 1","-P 2ybc","14","","","","- C36 H64 Ag2 F12 N8 O4 P2 -","- C36 H64 Ag2 F12 N8 O4 P2 -","- C72 H128 Ag4 F24 N16 O8 P4 -","2","0.5","","Rieb, Julia; Dominelli, Bruno; Mayer, David; Jandl, Christian; Drechsel, Jonas; Heydenreuter, Wolfgang; Sieber, Stephan A.; Kühn, Fritz E","Influence of wing-tip substituents and reaction conditions on the structure, properties and cytotoxicity of Ag(i)- and Au(i)-bis(NHC) complexes.","Dalton transactions (Cambridge, England : 2003)","2017","46","8","2722","2735","10.1039/c6dt04559f","","x-ray","0.71073","MoKα","","0.0311","0.0244","","","0.0531","0.0559","","","","","","1.043","","","","has coordinates,has disorder","211179","2020-10-21","18:00:00",""
"7041813","6.8365","0.0012","12.453","0.002","13.026","0.002","110.877","0.002","103.778","0.003","100.585","0.003","961.3","0.3","296","2","296","2","","","","","","","","6","P -1","-P 1","2","","","","- C4 H16 Cu N18 O7 Pb -","- C4 H16 Cu N18 O7 Pb -","- C8 H32 Cu2 N36 O14 Pb2 -","2","1","","Yang, Qi; Song, Xiaxia; Zhang, Wendou; Hou, Lei; Gong, Qibing; Xie, Gang; Wei, Qing; Chen, Sanping; Gao, Shengli","Three new energetic complexes with N,N-bis(1H-tetrazole-5-yl)-amine as high energy density materials: syntheses, structures, characterization and effects on the thermal decomposition of RDX.","Dalton transactions (Cambridge, England : 2003)","2017","46","8","2626","2634","10.1039/c6dt04439e","","","0.71073","MoKα","","0.046","0.041","","","0.1163","0.1257","","","","","","1.096","","","","has coordinates","193790","2020-10-21","18:00:00",""
"7041814","10.6068","0.0016","6.5724","0.001","11.3962","0.0017","90","","112.778","0.002","90","","732.5","0.19","296","2","296","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C2 H3 N9 O Pb -","- C2 H3 N9 O Pb -","- C8 H12 N36 O4 Pb4 -","4","1","","Yang, Qi; Song, Xiaxia; Zhang, Wendou; Hou, Lei; Gong, Qibing; Xie, Gang; Wei, Qing; Chen, Sanping; Gao, Shengli","Three new energetic complexes with N,N-bis(1H-tetrazole-5-yl)-amine as high energy density materials: syntheses, structures, characterization and effects on the thermal decomposition of RDX.","Dalton transactions (Cambridge, England : 2003)","2017","46","8","2626","2634","10.1039/c6dt04439e","","","0.71073","MoKα","","0.0282","0.0249","","","0.0631","0.0646","","","","","","1.022","","","","has coordinates","193790","2020-10-21","18:00:00",""
"7041815","8.88056","0.00013","15.123","0.0002","22.2473","0.0003","90","","96.5639","0.0013","90","","2968.24","0.07","100","0.3","100","0.3","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C32 H48 Ca N3 -","- C32 H48 Ca N3 -","- C128 H192 Ca4 N12 -","4","1","","Causero, Andrea; Ballmann, Gerd; Pahl, Jürgen; Färber, Christian; Intemann, Julia; Harder, Sjoerd","β-Diketiminate calcium hydride complexes: the importance of solvent effects.","Dalton transactions (Cambridge, England : 2003)","2017","46","6","1822","1831","10.1039/c6dt04659b","","x-ray","1.54184","CuKα","","0.0409","0.0362","","","0.0884","0.0925","","","","","","1.031","","","","has coordinates,has disorder","193800","2020-10-21","18:00:00",""
"7041816","13.351","0.0005","16.3688","0.0006","15.0996","0.0005","90","","100.888","0.003","90","","3240.5","0.2","100","","100","","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C68 H98 Ca2 N4 O2 -","- C68 H98 Ca2 N4 O2 -","- C136 H196 Ca4 N8 O4 -","2","0.5","","Causero, Andrea; Ballmann, Gerd; Pahl, Jürgen; Färber, Christian; Intemann, Julia; Harder, Sjoerd","β-Diketiminate calcium hydride complexes: the importance of solvent effects.","Dalton transactions (Cambridge, England : 2003)","2017","46","6","1822","1831","10.1039/c6dt04659b","","x-ray","1.54184","CuKα","","0.0429","0.0399","","","0.105","0.1082","","","","","","1.032","","","","has coordinates","193800","2020-10-21","18:00:00",""
"7041817","11.98073","0.00015","15.11446","0.00017","18.0466","0.0002","90","","97.5028","0.0012","90","","3239.94","0.07","291.81","0.1","291.81","0.1","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C66 H104 Ca2 N4 O2 -","- C66 H104 Ca2 N4 O2 -","- C132 H208 Ca4 N8 O4 -","2","0.5","","Causero, Andrea; Ballmann, Gerd; Pahl, Jürgen; Färber, Christian; Intemann, Julia; Harder, Sjoerd","β-Diketiminate calcium hydride complexes: the importance of solvent effects.","Dalton transactions (Cambridge, England : 2003)","2017","46","6","1822","1831","10.1039/c6dt04659b","","x-ray","1.54184","CuKα","","0.0484","0.0441","","","0.1174","0.1222","","","","","","1.04","","","","has coordinates","193800","2020-10-21","18:00:00",""
"7041818","12.2642","0.0003","15.2818","0.0003","16.5278","0.0003","90","","103.457","0.002","90","","3012.58","0.11","100","","100","","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C62 H92 Ca2 N4 O2 -","- C62 H92 Ca2 N4 O2 -","- C124 H184 Ca4 N8 O4 -","2","0.5","","Causero, Andrea; Ballmann, Gerd; Pahl, Jürgen; Färber, Christian; Intemann, Julia; Harder, Sjoerd","β-Diketiminate calcium hydride complexes: the importance of solvent effects.","Dalton transactions (Cambridge, England : 2003)","2017","46","6","1822","1831","10.1039/c6dt04659b","","x-ray","1.54184","CuKα","","0.0473","0.044","","","0.1149","0.1181","","","","","","1.047","","","","has coordinates","193800","2020-10-21","18:00:00",""
"7041819","14.4825","0.0002","13.0221","0.0001","18.2443","0.0002","90","","100.286","0.001","90","","3385.44","0.07","100","","100","","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C68 H106 Ca2 N6 O2 -","- C68 H106 Ca2 N6 O2 -","- C136 H212 Ca4 N12 O4 -","2","0.5","","Causero, Andrea; Ballmann, Gerd; Pahl, Jürgen; Färber, Christian; Intemann, Julia; Harder, Sjoerd","β-Diketiminate calcium hydride complexes: the importance of solvent effects.","Dalton transactions (Cambridge, England : 2003)","2017","46","6","1822","1831","10.1039/c6dt04659b","","x-ray","1.54184","CuKα","","0.0415","0.0393","","","0.1076","0.1101","","","","","","1.056","","","","has coordinates","193800","2020-10-21","18:00:00",""
"7041820","11.687","0.00018","18.0806","0.0002","21.811","0.0004","90","","105.372","0.0017","90","","4443.96","0.12","100","","100","","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C42 H72 Ca N3 O2 Si2 -","- C42 H72 Ca N3 O2 Si2 -","- C168 H288 Ca4 N12 O8 Si8 -","4","1","","Causero, Andrea; Ballmann, Gerd; Pahl, Jürgen; Färber, Christian; Intemann, Julia; Harder, Sjoerd","β-Diketiminate calcium hydride complexes: the importance of solvent effects.","Dalton transactions (Cambridge, England : 2003)","2017","46","6","1822","1831","10.1039/c6dt04659b","","x-ray","1.54184","CuKα","","0.037","0.0357","","","0.0964","0.0982","","","","","","1.043","","","","has coordinates","193800","2020-10-21","18:00:00",""
"7041821","11.3005","0.0001","20.2024","0.0002","39.1907","0.0002","102.344","0.001","90.19","0.001","90.346","0.001","8740.03","0.13","100","","100","","","","","","","","","6","P -1","-P 1","2","","","","- C40 H70 Ca N4 O Si2 -","- C40 H70 Ca N4 O Si2 -","- C320 H560 Ca8 N32 O8 Si16 -","8","4","","Causero, Andrea; Ballmann, Gerd; Pahl, Jürgen; Färber, Christian; Intemann, Julia; Harder, Sjoerd","β-Diketiminate calcium hydride complexes: the importance of solvent effects.","Dalton transactions (Cambridge, England : 2003)","2017","46","6","1822","1831","10.1039/c6dt04659b","","x-ray","1.54184","CuKα","","0.0436","0.0396","","","0.1051","0.1085","","","","","","1.028","","","","has coordinates","202518","2020-10-21","18:00:00",""
"7041822","13.6419","0.0002","9.97668","0.00013","13.8425","0.0002","90","","105.476","0.0016","90","","1815.67","0.05","99.9","0.4","99.9","0.4","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C16 H28 F12 Mn2 O18 S4 -","- C16 H28 F12 Mn2 O18 S4 -","- C32 H56 F24 Mn4 O36 S8 -","2","0.5","","Sniekers, Jeroen; Malaquias, João C; Van Meervelt, Luc; Fransaer, Jan; Binnemans, Koen","Manganese-containing ionic liquids: synthesis, crystal structures and electrodeposition of manganese films and nanoparticles.","Dalton transactions (Cambridge, England : 2003)","2017","46","8","2497","2509","10.1039/c6dt04781e","","","0.71073","MoKα","","0.0357","0.0306","","","0.0709","0.0741","","","","","","1.04","","","","has coordinates","193782","2020-10-21","18:00:00",""
"7041823","12.8101","0.0009","8.409","0.0004","21.9978","0.001","90","","99.28","0.005","90","","2338.6","0.2","99.97","0.11","99.97","0.11","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C34 H30 F12 Mn N8 O14 S4 -","- C34 H30 F12 Mn N8 O14 S4 -","- C68 H60 F24 Mn2 N16 O28 S8 -","2","0.5","","Sniekers, Jeroen; Malaquias, João C; Van Meervelt, Luc; Fransaer, Jan; Binnemans, Koen","Manganese-containing ionic liquids: synthesis, crystal structures and electrodeposition of manganese films and nanoparticles.","Dalton transactions (Cambridge, England : 2003)","2017","46","8","2497","2509","10.1039/c6dt04781e","","","0.71073","MoKα","","0.0692","0.0563","","","0.1403","0.1524","","","","","","1.032","","","","has coordinates","193782","2020-10-21","18:00:00",""
"7041824","39.801","0.002","15.0805","0.0011","8.9654","0.0005","90","","90","","90","","5381.2","0.6","100","2","100","2","","","","","","","","7","F d d 2","F 2 -2d","43","","","","- C12 H18 F12 Mn N2 O12 S4 -","- C12 H18 F12 Mn N2 O12 S4 -","- C96 H144 F96 Mn8 N16 O96 S32 -","8","0.5","","Sniekers, Jeroen; Malaquias, João C; Van Meervelt, Luc; Fransaer, Jan; Binnemans, Koen","Manganese-containing ionic liquids: synthesis, crystal structures and electrodeposition of manganese films and nanoparticles.","Dalton transactions (Cambridge, England : 2003)","2017","46","8","2497","2509","10.1039/c6dt04781e","","","0.71073","MoKα","","0.0777","0.0773","","","0.1799","0.1802","","","","","","1.261","","","","has coordinates","193782","2020-10-21","18:00:00",""
"7041825","8.0015","0.0006","10.9806","0.0009","12.9203","0.0008","109.047","0.007","99.445","0.006","97.393","0.006","1038.09","0.15","100","0.3","100","0.3","","","","","","","","7","P -1","-P 1","2","","","","- C16 H36 F12 Mn N2 O14 S10 -","- C16 H36 F12 Mn N2 O14 S10 -","- C16 H36 F12 Mn N2 O14 S10 -","1","0.5","","Sniekers, Jeroen; Malaquias, João C; Van Meervelt, Luc; Fransaer, Jan; Binnemans, Koen","Manganese-containing ionic liquids: synthesis, crystal structures and electrodeposition of manganese films and nanoparticles.","Dalton transactions (Cambridge, England : 2003)","2017","46","8","2497","2509","10.1039/c6dt04781e","","","0.71073","MoKα","","0.043","0.0343","","","0.0751","0.0799","","","","","","1.045","","","","has coordinates","193782","2020-10-21","18:00:00",""
"7041826","10.4969","0.0004","23.2549","0.0014","10.2815","0.0004","90","","90.464","0.004","90","","2509.7","0.2","100.01","0.1","100.01","0.1","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C4 H12 F12 Mn N2 O14 S4 -","- C4 H12 F12 Mn N2 O14 S4 -","- C16 H48 F48 Mn4 N8 O56 S16 -","4","1","","Sniekers, Jeroen; Malaquias, João C; Van Meervelt, Luc; Fransaer, Jan; Binnemans, Koen","Manganese-containing ionic liquids: synthesis, crystal structures and electrodeposition of manganese films and nanoparticles.","Dalton transactions (Cambridge, England : 2003)","2017","46","8","2497","2509","10.1039/c6dt04781e","","","0.71073","MoKα","","0.0404","0.0369","","","0.0747","0.0762","","","","","","1.204","","","","has coordinates","193782","2020-10-21","18:00:00",""
"7041827","9.6566","0.0003","20.1455","0.0009","10.0161","0.0004","90","","90","","90","","1948.5","0.13","100","0.3","100","0.3","","","","","","","","6","P n m a","-P 2ac 2n","62","","","","- C8 H18 F6 Mn O11 S2 -","- C8 H18 F6 Mn O11 S2 -","- C32 H72 F24 Mn4 O44 S8 -","4","0.5","","Sniekers, Jeroen; Malaquias, João C; Van Meervelt, Luc; Fransaer, Jan; Binnemans, Koen","Manganese-containing ionic liquids: synthesis, crystal structures and electrodeposition of manganese films and nanoparticles.","Dalton transactions (Cambridge, England : 2003)","2017","46","8","2497","2509","10.1039/c6dt04781e","","","0.71073","MoKα","","0.0411","0.0359","","","0.0892","0.0923","","","","","","1.093","","","","has coordinates","193782","2020-10-21","18:00:00",""
"7041828","8.3943","0.0003","11.1474","0.0005","24.3863","0.0009","90","","97.523","0.004","90","","2262.3","0.16","100","0.3","100","0.3","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C28 H36 F12 Mn N14 O8 S4 -","- C28 H36 F12 Mn N14 O8 S4 -","- C56 H72 F24 Mn2 N28 O16 S8 -","2","0.5","","Sniekers, Jeroen; Malaquias, João C; Van Meervelt, Luc; Fransaer, Jan; Binnemans, Koen","Manganese-containing ionic liquids: synthesis, crystal structures and electrodeposition of manganese films and nanoparticles.","Dalton transactions (Cambridge, England : 2003)","2017","46","8","2497","2509","10.1039/c6dt04781e","","","0.71073","MoKα","","0.0385","0.0327","","","0.0761","0.0789","","","","","","1.047","","","","has coordinates","193782","2020-10-21","18:00:00",""
"7041829","11.0077","0.0004","12.3387","0.0004","24.8904","0.001","102.496","0.002","101.707","0.002","93.801","0.002","3210.3","0.2","200","2","200","2","","","","","","","","7","P -1","-P 1","2","[Au(L1e)(Hdamp)]Cl.H2O","(N-(N'',N''-diethylaminothiocarbonyl)-N'(N''',N'''-dipropylcarbothioamide)benzamidineto)(2-(dimethylamoniummethyl)phenyl-C1)gold(III) chloride","","- C28 H44 Au Cl N6 O S2 -","- C28 H44 Au Cl N6 O S2 -","- C112 H176 Au4 Cl4 N24 O4 S8 -","4","2","","Maia, P I da S; Carneiro, Z. A.; Lopes, C. D.; Oliveira, C. G.; Silva, J. S.; de Albuquerque, S.; Hagenbach, A.; Gust, R.; Deflon, V. M.; Abram, U.","Organometallic gold(iii) complexes with hybrid SNS-donating thiosemicarbazone ligands: cytotoxicity and anti-Trypanosoma cruzi activity.","Dalton transactions (Cambridge, England : 2003)","2017","46","8","2559","2571","10.1039/c6dt04307k","","","0.71073","MoKα","","0.0511","0.0424","","","0.1203","0.1254","","","","","","1.012","","","","has coordinates","211414","2020-10-21","18:00:00",""
"7041830","10.9017","0.0005","12.1838","0.0006","21.626","0.001","101.759","0.002","99.313","0.002","95.263","0.002","2751.9","0.2","296","2","296","2","","","","","","","","5","P -1","-P 1","2","[Au(L4)(damp)]","(N-(N'',N''-diethylaminothiocarbonyl)-N'(N''',N'''-dimethylcarbothioamide)benzamidineto)(2-(dimethylaminomethyl)phenyl-C1)gold(III)","","- C24 H33 Au N6 S2 -","- C24 H33 Au N6 S2 -","- C96 H132 Au4 N24 S8 -","4","2","","Maia, P I da S; Carneiro, Z. A.; Lopes, C. D.; Oliveira, C. G.; Silva, J. S.; de Albuquerque, S.; Hagenbach, A.; Gust, R.; Deflon, V. M.; Abram, U.","Organometallic gold(iii) complexes with hybrid SNS-donating thiosemicarbazone ligands: cytotoxicity and anti-Trypanosoma cruzi activity.","Dalton transactions (Cambridge, England : 2003)","2017","46","8","2559","2571","10.1039/c6dt04307k","","","0.71073","MoKα","","0.0675","0.0479","","","0.1182","0.1294","","","","","","1.04","","","","has coordinates,has disorder","211414","2020-10-21","18:00:00",""
"7041831","21.916","0.0012","11.08","0.0006","12.3745","0.0008","90","","100.992","0.003","90","","2949.8","0.3","296","2","296","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","[Au(Hdamp)(L4)]NO3","","","- C24 H34 Au N7 O3 S2 -","- C24 H34 Au N7 O3 S2 -","- C96 H136 Au4 N28 O12 S8 -","4","1","","Maia, P I da S; Carneiro, Z. A.; Lopes, C. D.; Oliveira, C. G.; Silva, J. S.; de Albuquerque, S.; Hagenbach, A.; Gust, R.; Deflon, V. M.; Abram, U.","Organometallic gold(iii) complexes with hybrid SNS-donating thiosemicarbazone ligands: cytotoxicity and anti-Trypanosoma cruzi activity.","Dalton transactions (Cambridge, England : 2003)","2017","46","8","2559","2571","10.1039/c6dt04307k","","","0.71073","MoKα","","0.0766","0.0506","","","0.1346","0.1532","","","","","","1.066","","","","has coordinates","211179","2020-10-21","18:00:00",""
"7041832","7.7998","0.0014","8.7712","0.0016","22.671","0.004","90","","98.976","0.008","90","","1532","0.5","301","2","301","","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C12 H13 Cl Cu N4 O6 -","- C12 H13 Cl Cu N4 O6 -","- C48 H52 Cl4 Cu4 N16 O24 -","4","1","","Singh, Yogendra Pratap; Patel, Ram N.; Singh, Yogendra; Choquesillo-Lazarte, Duane; Butcher, R. J.","Classical hydrogen bonding and stacking of chelate rings in new copper(ii) complexes.","Dalton transactions (Cambridge, England : 2003)","2017","46","9","2803","2820","10.1039/c6dt04661d","","","0.71073","MoKα","","0.0776","0.0429","","","0.0826","0.0925","","","","","","1.032","","","","has coordinates","193850","2020-10-21","18:00:00",""
"7041833","8.0921","0.0007","8.6878","0.0007","11.3269","0.0009","91.319","0.003","103.562","0.003","100.716","0.003","758.75","0.11","100","2","100","","","","","","","","","6","P -1","-P 1","2","","","","- C12 H13 Cl Cu N4 O6 -","- C12 H13 Cl Cu N4 O6 -","- C24 H26 Cl2 Cu2 N8 O12 -","2","1","","Singh, Yogendra Pratap; Patel, Ram N.; Singh, Yogendra; Choquesillo-Lazarte, Duane; Butcher, R. J.","Classical hydrogen bonding and stacking of chelate rings in new copper(ii) complexes.","Dalton transactions (Cambridge, England : 2003)","2017","46","9","2803","2820","10.1039/c6dt04661d","","","0.71073","MoKα","","0.0667","0.0507","","","0.1362","0.1449","","","","","","1.057","","","","has coordinates","193850","2020-10-21","18:00:00",""
"7041834","6.9846","0.0004","11.4155","0.0005","12.6028","0.0008","107.849","0.005","97.174","0.005","94.306","0.004","942.14","0.1","298","2","298","2","","","","","","","","6","P -1","-P 1","2","","","","- C28 H30 Cl4 Cu2 N8 O14 -","- C28 H30 Cl4 Cu2 N8 O14 -","- C28 H30 Cl4 Cu2 N8 O14 -","1","0.5","","Singh, Yogendra Pratap; Patel, Ram N.; Singh, Yogendra; Choquesillo-Lazarte, Duane; Butcher, R. J.","Classical hydrogen bonding and stacking of chelate rings in new copper(ii) complexes.","Dalton transactions (Cambridge, England : 2003)","2017","46","9","2803","2820","10.1039/c6dt04661d","","","1.54184","CuKα","","0.0677","0.0609","","","0.171","0.1836","","","","","","1.048","","","","has coordinates,has disorder","193850","2020-10-21","18:00:00",""
"7041835","7.312","0.003","12.672","0.005","11.528","0.004","90","","98.869","0.005","90","","1055.4","0.7","296","2","296","2","","","","","","","","4","C 1 c 1","C -2yc","9","","","","- Cd Ge2 Na2 S6 -","- Cd Ge2 Na2 S6 -","- Cd4 Ge8 Na8 S24 -","4","1","","Li, Guang-Mao; Liu, Qiong; Wu, Kui; Yang, Zhi-Hua; Pan, Shi-Lie","Na2CdGe2Q6 (Q = S, Se): two metal-mixed chalcogenides with phase-matching abilities and large second-harmonic generation responses.","Dalton transactions (Cambridge, England : 2003)","2017","46","9","2778","2784","10.1039/c7dt00087a","","","0.71073","MoKα","","0.0266","0.0238","","","0.0449","0.0461","","","","","","0.983","","","","has coordinates","193852","2020-10-21","18:00:00",""
"7041836","7.589","0.004","13.182","0.007","12.069","0.006","90","","98.829","0.007","90","","1193.1","1.1","296","2","296","2","","","","","","","","4","C 1 c 1","C -2yc","9","","","","- Cd Ge2 Na2 Se6 -","- Cd Ge2 Na2 Se6 -","- Cd4 Ge8 Na8 Se24 -","4","1","","Li, Guang-Mao; Liu, Qiong; Wu, Kui; Yang, Zhi-Hua; Pan, Shi-Lie","Na2CdGe2Q6 (Q = S, Se): two metal-mixed chalcogenides with phase-matching abilities and large second-harmonic generation responses.","Dalton transactions (Cambridge, England : 2003)","2017","46","9","2778","2784","10.1039/c7dt00087a","","","0.71073","MoKα","","0.0663","0.0458","","","0.0784","0.0861","","","","","","0.973","","","","has coordinates","193852","2020-10-21","18:00:00",""
"7041837","7.8526","0.001","12.5701","0.0014","16.1322","0.0019","75.184","0.004","79.085","0.004","77.741","0.004","1488.9","0.3","100","2","100","2","","","","","","","","8","P -1","-P 1","2","","","","- C27 H29 Cl F6 N7 O P Ru -","- C27 H29 Cl F6 N7 O P Ru -","- C54 H58 Cl2 F12 N14 O2 P2 Ru2 -","2","1","","Liu, Hai-Jie; Gil-Sepulcre, Marcos; Francàs, Laia; Nolis, Pau; Parella, Teodor; Benet-Buchholz, Jordi; Fontrodona, Xavier; García-Antón, Jordi; Romero, Nuria; Llobet, Antoni; Escriche, Lluís; Bofill, Roger; Sala, Xavier","Mononuclear ruthenium compounds bearing N-donor and N-heterocyclic carbene ligands: structure and oxidative catalysis.","Dalton transactions (Cambridge, England : 2003)","2017","46","9","2829","2843","10.1039/c6dt04729g","","","0.71073","MoKα","","0.0741","0.0493","","","0.1162","0.1293","","","","","","1.038","","","","has coordinates","193835","2020-10-21","18:00:00",""
"7041838","17.64","0.06","12.59","0.04","18.67","0.06","90","","101.23","0.07","90","","4067","2","298","2","298","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C16 H16 F12 N6 P2 -","- C16 H16 F12 N6 P2 -","- C128 H128 F96 N48 P16 -","8","2","","Liu, Hai-Jie; Gil-Sepulcre, Marcos; Francàs, Laia; Nolis, Pau; Parella, Teodor; Benet-Buchholz, Jordi; Fontrodona, Xavier; García-Antón, Jordi; Romero, Nuria; Llobet, Antoni; Escriche, Lluís; Bofill, Roger; Sala, Xavier","Mononuclear ruthenium compounds bearing N-donor and N-heterocyclic carbene ligands: structure and oxidative catalysis.","Dalton transactions (Cambridge, England : 2003)","2017","46","9","2829","2843","10.1039/c6dt04729g","","","0.71073","MoKα","","0.311","0.0952","","","0.2109","0.2944","","","","","","1.027","","","","has coordinates","193835","2020-10-21","18:00:00",""
"7041839","9.9232","0.0003","12.0153","0.0004","12.562","0.0003","66.33","0.003","78.808","0.003","81.624","0.003","1341.85","0.08","120","2","120","0.1","","","","","","","","6","P -1","-P 1","2","","","","- C19 H22 Cl2 Fe N10 O9 -","- C19 H22 Cl2 Fe N10 O9 -","- C38 H44 Cl4 Fe2 N20 O18 -","2","1","","Sánchez-Sánchez, C; Desplanches, C.; Clemente-Juan, J M; Clemente-León, M; Coronado, E.","Photomagnetic properties of an Fe(ii) spin-crossover complex of 6-(3,5-diamino-2,4,6-triazinyl)-2,2'-bipyridine and its insertion into 2D and 3D bimetallic oxalate-based networks.","Dalton transactions (Cambridge, England : 2003)","2017","46","8","2680","2689","10.1039/c6dt04900a","","","0.7107","MoKα","","0.0422","0.0388","","","0.1023","0.1058","","","","","","1.037","","","","has coordinates","193786","2020-10-21","18:00:00",""
"7041840","13.7944","0.001","15.9248","0.0009","18.4133","0.0012","80.524","0.005","76.055","0.006","65.483","0.006","3562.2","0.4","120","2","120","2","","","","","","","","7","P -1","-P 1","2","","","","- C45 H44 Cr2 Fe Mn2 N20 O39 -","- C45 H44 Cr2 Fe Mn2 N20 O39 -","- C90 H88 Cr4 Fe2 Mn4 N40 O78 -","2","1","","Sánchez-Sánchez, C; Desplanches, C.; Clemente-Juan, J M; Clemente-León, M; Coronado, E.","Photomagnetic properties of an Fe(ii) spin-crossover complex of 6-(3,5-diamino-2,4,6-triazinyl)-2,2'-bipyridine and its insertion into 2D and 3D bimetallic oxalate-based networks.","Dalton transactions (Cambridge, England : 2003)","2017","46","8","2680","2689","10.1039/c6dt04900a","","","0.71073","MoKα","","0.2097","0.1199","","","0.2769","0.323","","","","","","1.063","","","","has coordinates,has disorder","193786","2020-10-21","18:00:00",""
"7041841","21.9177","0.0003","21.9177","0.0003","12.2351","0.0003","90","","90","","120","","5090.12","0.16","120","2","120","2","","","","","","","","7","P 31 2 1","P 31 2""","152","","","","- C44 H22 Cr2 Fe Mn2 N17 O24 -","- C44 H22 Cr2 Fe Mn2 N17 O24 -","- C132 H66 Cr6 Fe3 Mn6 N51 O72 -","3","0.5","","Sánchez-Sánchez, C; Desplanches, C.; Clemente-Juan, J M; Clemente-León, M; Coronado, E.","Photomagnetic properties of an Fe(ii) spin-crossover complex of 6-(3,5-diamino-2,4,6-triazinyl)-2,2'-bipyridine and its insertion into 2D and 3D bimetallic oxalate-based networks.","Dalton transactions (Cambridge, England : 2003)","2017","46","8","2680","2689","10.1039/c6dt04900a","","","0.71073","MoKα","","0.1583","0.125","","","0.3444","0.3809","","","","","","1.425","","","","has coordinates,has disorder","193786","2020-10-21","18:00:00",""
"7041842","13.552","0.0007","14.8524","0.0006","18.5398","0.0008","90","","90","","90","","3731.7","0.3","150.1","","150.1","","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C25 H69 Cr2 N6 Na3 -","- C25 H69 Cr2 N6 Na3 -","- C100 H276 Cr8 N24 Na12 -","4","1","","Campbell, Ross; Kennedy, Alan R.; McLellan, Ross; Robertson, Stuart D.; Sproules, Stephen; Mulvey, Robert E.","Contrasting the group 6 metal-metal bonding in sodium dichromate(ii) and sodium dimolybdate(ii) polymethyl complexes: synthetic, X-ray crystallographic and theoretical studies.","Dalton transactions (Cambridge, England : 2003)","2017","46","17","5650","5659","10.1039/c6dt04644d","","","0.71073","MoKα","","0.0966","0.0551","","","0.0811","0.0942","","","","","","1.037","","","","has coordinates,has disorder","196392","2020-10-21","18:00:00",""
"7041843","11.3776","0.0002","17.031","0.0004","12.781","0.0003","90","","105.031","0.002","90","","2391.86","0.09","123","2","123","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C32 H88 Mo2 N8 Na4 -","- C32 H88 Mo2 N8 Na4 -","- C64 H176 Mo4 N16 Na8 -","2","0.5","","Campbell, Ross; Kennedy, Alan R.; McLellan, Ross; Robertson, Stuart D.; Sproules, Stephen; Mulvey, Robert E.","Contrasting the group 6 metal-metal bonding in sodium dichromate(ii) and sodium dimolybdate(ii) polymethyl complexes: synthetic, X-ray crystallographic and theoretical studies.","Dalton transactions (Cambridge, England : 2003)","2017","46","17","5650","5659","10.1039/c6dt04644d","","","0.71073","MoKα","","0.0495","0.0275","","","0.0438","0.0461","","","","","","0.851","","","","has coordinates","196392","2020-10-21","18:00:00",""
"7041844","12.0585","0.0003","15.7116","0.0005","12.5776","0.0004","90","","103.98","0.003","90","","2312.35","0.12","123","2","123","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C37 H87 Cr2 N6 Na3 -","- C37 H87 Cr2 N6 Na3 -","- C74 H174 Cr4 N12 Na6 -","2","1","","Campbell, Ross; Kennedy, Alan R.; McLellan, Ross; Robertson, Stuart D.; Sproules, Stephen; Mulvey, Robert E.","Contrasting the group 6 metal-metal bonding in sodium dichromate(ii) and sodium dimolybdate(ii) polymethyl complexes: synthetic, X-ray crystallographic and theoretical studies.","Dalton transactions (Cambridge, England : 2003)","2017","46","17","5650","5659","10.1039/c6dt04644d","","","0.71073","MoKα","","0.0308","0.0282","","","0.065","0.0667","","","","","","1.02","","","","has coordinates","196392","2020-10-21","18:00:00",""
"7041845","17.981","0.006","9.755","0.003","18.506","0.006","90","","90","","90","","3246","1.8","100","2","100","2","","","","","","","","7","P b c n","-P 2n 2ab","60","","Compound1","","- C14 H11 B F4 Mo N4 O2 -","- C14 H11 B F4 Mo N4 O2 -","- C112 H88 B8 F32 Mo8 N32 O16 -","8","1","","Majumdar, Moumita; Saha, Sayantani; Dutta, Indranil; Sinha, Arup; Bera, Jitendra K.","Inter-ligand electronic coupling mediated through a dimetal bridge: dependence on metal ions and ancillary ligands.","Dalton transactions (Cambridge, England : 2003)","2017","46","17","5660","5669","10.1039/c6dt04679g","","","0.71073","MoKα","","0.1007","0.0642","","","0.1329","0.1497","","","","","","1.09","","","","has coordinates","196411","2020-10-21","18:00:00",""
"7041846","7.0405","0.001","13.4755","0.0018","13.4023","0.0018","90","","101.378","0.002","90","","1246.5","0.3","100","2","100","2","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","Compound6A","","- C11 H7 Cl Cu N3 O4 S -","- C11 H7 Cl Cu N3 O4 S -","- C44 H28 Cl4 Cu4 N12 O16 S4 -","4","1","","Majumdar, Moumita; Saha, Sayantani; Dutta, Indranil; Sinha, Arup; Bera, Jitendra K.","Inter-ligand electronic coupling mediated through a dimetal bridge: dependence on metal ions and ancillary ligands.","Dalton transactions (Cambridge, England : 2003)","2017","46","17","5660","5669","10.1039/c6dt04679g","","","0.71073","MoKα","","0.0733","0.0456","","","0.1129","0.1337","","","","","","1.065","","","","has coordinates","196411","2020-10-21","18:00:00",""
"7041847","8.8107","0.0005","13.3646","0.0008","23.9099","0.0015","90","","97.593","0.001","90","","2790.7","0.3","100","2","100","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","Compound6","","- C26 H19 Cl2 Cu2 N9 O8 -","- C26 H19 Cl2 Cu2 N9 O8 -","- C104 H76 Cl8 Cu8 N36 O32 -","4","1","","Majumdar, Moumita; Saha, Sayantani; Dutta, Indranil; Sinha, Arup; Bera, Jitendra K.","Inter-ligand electronic coupling mediated through a dimetal bridge: dependence on metal ions and ancillary ligands.","Dalton transactions (Cambridge, England : 2003)","2017","46","17","5660","5669","10.1039/c6dt04679g","","","0.71073","MoKα","","0.052","0.042","","","0.1042","0.1119","","","","","","1.082","","","","has coordinates","196411","2020-10-21","18:00:00",""
"7041848","12.3747","0.0012","17.9206","0.0019","19.028","0.002","90","","91.2","0.002","90","","4218.8","0.8","100","2","100","2","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","Compound2","","- C34 H32 Cl2 N10 O12 Ru2 S2 -","- C34 H32 Cl2 N10 O12 Ru2 S2 -","- C136 H128 Cl8 N40 O48 Ru8 S8 -","4","1","","Majumdar, Moumita; Saha, Sayantani; Dutta, Indranil; Sinha, Arup; Bera, Jitendra K.","Inter-ligand electronic coupling mediated through a dimetal bridge: dependence on metal ions and ancillary ligands.","Dalton transactions (Cambridge, England : 2003)","2017","46","17","5660","5669","10.1039/c6dt04679g","","","0.71073","MoKα","","0.0986","0.0579","","","0.1104","0.1263","","","","","","1.001","","","","has coordinates","196411","2020-10-21","18:00:00",""
"7041849","9.8778","0.0015","13.411","0.002","11.4697","0.0019","90","","98.784","0.004","90","","1501.6","0.4","100","2","100","2","","","","","","","","8","P 1 21/n 1","-P 2yn","14","","Compound5","","- C13 H10 B F4 N3 O2 Rh S -","- C13 H10 B F4 N3 O2 Rh S -","- C52 H40 B4 F16 N12 O8 Rh4 S4 -","4","1","","Majumdar, Moumita; Saha, Sayantani; Dutta, Indranil; Sinha, Arup; Bera, Jitendra K.","Inter-ligand electronic coupling mediated through a dimetal bridge: dependence on metal ions and ancillary ligands.","Dalton transactions (Cambridge, England : 2003)","2017","46","17","5660","5669","10.1039/c6dt04679g","","","0.71073","MoKα","","0.1049","0.0613","","","0.1258","0.1424","","","","","","0.993","","","","has coordinates,has disorder","196411","2020-10-21","18:00:00",""
"7041850","14.5183","0.0016","13.3559","0.0015","22.198","0.002","90","","103.368","0.002","90","","4187.7","0.8","100","","100","","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","Compound4","","- C32 H19 F6 N9 O10 Ru2 S2 -","- C32 H19 F6 N9 O10 Ru2 S2 -","- C128 H76 F24 N36 O40 Ru8 S8 -","4","1","","Majumdar, Moumita; Saha, Sayantani; Dutta, Indranil; Sinha, Arup; Bera, Jitendra K.","Inter-ligand electronic coupling mediated through a dimetal bridge: dependence on metal ions and ancillary ligands.","Dalton transactions (Cambridge, England : 2003)","2017","46","17","5660","5669","10.1039/c6dt04679g","","","0.71073","MoKα","","0.0954","0.0603","","","0.1359","0.1501","","","","","","0.951","","","","has coordinates","196411","2020-10-21","18:00:00",""
"7041851","15.1248","0.0006","15.1905","0.0006","16.8898","0.0006","101.994","0.003","96.467","0.003","115.554","0.003","3333.3","0.3","200","2","200","2","","","","","","","","5","P -1","-P 1","2","","","","- C100 H194 K6 O32 Si14 -","- C100 H194 K6 O32 Si14 -","- C100 H194 K6 O32 Si14 -","1","0.5","","Gießmann, Stephan; Lorenz, Volker; Liebing, Phil; Hilfert, Liane; Fischer, Axel; Edelmann, Frank T.","Synthesis and structural study of new metallasilsesquioxanes of potassium and uranium.","Dalton transactions (Cambridge, England : 2003)","2017","46","8","2415","2419","10.1039/c7dt00006e","","","0.71073","MoKα","","0.1268","0.0617","","","0.1015","0.1275","","","","","","1.037","","","","has coordinates","193781","2020-10-21","18:00:00",""
"7041852","25.601","0.001","15.0671","0.001","30.8351","0.001","90","","102.059","0.003","90","","11631.6","1","143","2","143","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C90 H170 N2 O24 Si14 U -","- C90 H170 N2 O24 Si14 U -","- C360 H680 N8 O96 Si56 U4 -","4","1","","Gießmann, Stephan; Lorenz, Volker; Liebing, Phil; Hilfert, Liane; Fischer, Axel; Edelmann, Frank T.","Synthesis and structural study of new metallasilsesquioxanes of potassium and uranium.","Dalton transactions (Cambridge, England : 2003)","2017","46","8","2415","2419","10.1039/c7dt00006e","","","0.71073","MoKα","","0.0707","0.0415","","","0.0747","0.0851","","","","","","1.07","","","","has coordinates,has disorder","193781","2020-10-21","18:00:00",""
"7041853","33.69","0.004","8.5921","0.0009","18.017","0.002","90","","110.24","0.007","90","","4893.3","1","150","2","150","2","","","","","","","","7","C 1 2/c 1","-C 2yc","15","","","","- C22 H27 F3 N2 O3 S Se -","- C22 H27 F3 N2 O3 S Se -","- C176 H216 F24 N16 O24 S8 Se8 -","8","1","","Liu, Liu Leo; Zhu, Diya; Cao, Levy L.; Stephan, Douglas W.","N-Heterocyclic carbene stabilized parent sulfenyl, selenenyl, and tellurenyl cations (XH(+), X = S, Se, Te).","Dalton transactions (Cambridge, England : 2003)","2017","46","10","3095","3099","10.1039/c7dt00186j","","","0.71073","MoKα","","0.0686","0.0455","","","0.1187","0.1305","","","","","","1.199","","","","has coordinates","195064","2020-10-21","18:00:00",""
"7041854","8.783","0.013","16.48","0.02","17.56","0.02","73.04","0.06","89.36","0.05","78.37","0.04","2378","5","150","2","150","2","","","","","","","","6","P -1","-P 1","2","","","","- C22 H27 F3 N2 O3 S2 -","- C22 H27 F3 N2 O3 S2 -","- C88 H108 F12 N8 O12 S8 -","4","2","","Liu, Liu Leo; Zhu, Diya; Cao, Levy L.; Stephan, Douglas W.","N-Heterocyclic carbene stabilized parent sulfenyl, selenenyl, and tellurenyl cations (XH(+), X = S, Se, Te).","Dalton transactions (Cambridge, England : 2003)","2017","46","10","3095","3099","10.1039/c7dt00186j","","","0.71073","MoKα","","0.1027","0.0639","","","0.1693","0.1885","","","","","","1.058","","","","has coordinates","195064","2020-10-21","18:00:00",""
"7041855","16.234","0.002","17.579","0.003","21.88","0.003","90","","90","","90","","6244.1","1.6","150","2","150","2","","","","","","","","7","P b c a","-P 2ac 2ab","61","","","","- C29 H39 F3 N2 O3 S Te -","- C29 H39 F3 N2 O3 S Te -","- C232 H312 F24 N16 O24 S8 Te8 -","8","1","","Liu, Liu Leo; Zhu, Diya; Cao, Levy L.; Stephan, Douglas W.","N-Heterocyclic carbene stabilized parent sulfenyl, selenenyl, and tellurenyl cations (XH(+), X = S, Se, Te).","Dalton transactions (Cambridge, England : 2003)","2017","46","10","3095","3099","10.1039/c7dt00186j","","","0.71073","MoKα","","0.0997","0.0511","","","0.0887","0.1037","","","","","","1.056","","","","has coordinates","195064","2020-10-21","18:00:00",""
"7041856","15.9377","0.0014","17.313","0.0013","21.9697","0.0018","90","","90","","90","","6062.1","0.9","150","2","150","2","","","","","","","","6","P b c a","-P 2ac 2ab","61","","","","- C29 H39 F3 N2 O3 S2 -","- C29 H39 F3 N2 O3 S2 -","- C232 H312 F24 N16 O24 S16 -","8","1","","Liu, Liu Leo; Zhu, Diya; Cao, Levy L.; Stephan, Douglas W.","N-Heterocyclic carbene stabilized parent sulfenyl, selenenyl, and tellurenyl cations (XH(+), X = S, Se, Te).","Dalton transactions (Cambridge, England : 2003)","2017","46","10","3095","3099","10.1039/c7dt00186j","","","0.71073","MoKα","","0.1334","0.0537","","","0.1365","0.1767","","","","","","0.971","","","","has coordinates,has disorder","195064","2020-10-21","18:00:00",""
"7041857","16.143","0.0016","17.3306","0.0017","21.714","0.002","90","","90","","90","","6074.9","1","150","2","150","2","","","","","","","","7","P b c a","-P 2ac 2ab","61","","","","- C29 H39 F3 N2 O3 S Se -","- C29 H39 F3 N2 O3 S Se -","- C232 H312 F24 N16 O24 S8 Se8 -","8","1","","Liu, Liu Leo; Zhu, Diya; Cao, Levy L.; Stephan, Douglas W.","N-Heterocyclic carbene stabilized parent sulfenyl, selenenyl, and tellurenyl cations (XH(+), X = S, Se, Te).","Dalton transactions (Cambridge, England : 2003)","2017","46","10","3095","3099","10.1039/c7dt00186j","","","0.71073","MoKα","","0.065","0.0412","","","0.0954","0.1057","","","","","","1.023","","","","has coordinates,has disorder","195064","2020-10-21","18:00:00",""
"7041858","16.6185","0.0012","20.4855","0.0014","24.5176","0.0017","90","","101.251","0.002","90","","8186.3","1","100","2","100","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C86 H68 N6 O10 S6 Yb2 -","- C86 H68 N6 O10 S6 Yb2 -","- C344 H272 N24 O40 S24 Yb8 -","4","1","","Ilichev, Vasily A.; Rozhkov, Anton V.; Rumyantcev, Roman V.; Fukin, Georgy K.; Grishin, Ivan D.; Dmitriev, Artem V.; Lypenko, Dmitry A.; Maltsev, Eugeny I.; Yablonskiy, Artem N.; Andreev, Boris A.; Bochkarev, Mikhail N.","LMCT facilitated room temperature phosphorescence and energy transfer in substituted thiophenolates of Gd and Yb.","Dalton transactions (Cambridge, England : 2003)","2017","46","9","3041","3050","10.1039/c6dt04519g","","","0.71073","MoKα","","0.0624","0.0564","","","0.1241","0.1264","","","","","","1.072","","","","has coordinates,has disorder","193844","2020-10-21","18:00:00",""
"7041859","17.7938","0.0014","10.9568","0.0009","20.0462","0.0015","90","","90","","90","","3908.3","0.5","100","2","100","2","","","","","","","","6","P n a 21","P 2c -2n","33","","","","- C43 H34 N3 O2 S6 Yb -","- C43 H34 N3 O2 S6 Yb -","- C172 H136 N12 O8 S24 Yb4 -","4","1","","Ilichev, Vasily A.; Rozhkov, Anton V.; Rumyantcev, Roman V.; Fukin, Georgy K.; Grishin, Ivan D.; Dmitriev, Artem V.; Lypenko, Dmitry A.; Maltsev, Eugeny I.; Yablonskiy, Artem N.; Andreev, Boris A.; Bochkarev, Mikhail N.","LMCT facilitated room temperature phosphorescence and energy transfer in substituted thiophenolates of Gd and Yb.","Dalton transactions (Cambridge, England : 2003)","2017","46","9","3041","3050","10.1039/c6dt04519g","","","0.71073","MoKα","","0.0327","0.0255","","","0.0525","0.0549","","","","","","1.024","","","","has coordinates,has disorder","193844","2020-10-21","18:00:00",""
"7041860","13.3143","0.0004","13.8274","0.0005","23.1341","0.0006","91.825","0.002","97.651","0.002","110.463","0.003","3940.6","0.2","110","2","110","2","","","","","","","","7","P -1","-P 1","2","","","","- C74 H56 B2 Co F8 N8 O2 -","- C74 H56 B2 Co F8 N8 O2 -","- C148 H112 B4 Co2 F16 N16 O4 -","2","1","","Schnaubelt, Linda; Petzold, Holm; Speck, J Matthäus; Dmitrieva, Evgenia; Rosenkranz, Marco; Korb, Marcus","Redox properties and electron transfer in a triarylamine-substituted HS-Co(2+)/LS-Co(3+) redox couple.","Dalton transactions (Cambridge, England : 2003)","2017","46","8","2690","2698","10.1039/c6dt04748c","","","0.71073","MoKα","","0.0643","0.0526","","","0.1437","0.1504","","","","","","1.045","","","","has coordinates,has disorder","193773","2020-10-21","18:00:00",""
"7041861","10.0024","0.0016","10.0024","0.0016","12.406","0.003","90","","90","","120","","1074.9","0.4","293","2","293","2","","","","","","","","4","P 63","P 6c","173","","","","- Ba4 Cl2 Se9 Si3 -","- Ba4 Cl2 Se9 Si3 -","- Ba8 Cl4 Se18 Si6 -","2","0.333333","","Liu, Peng-Fei; Li, Yan-Yan; Zheng, Yu-Jun; Yu, Ju-Song; Duan, Rui-Huan; Chen, Hong; Lin, Hua; Chen, Ling; Wu, Li-Ming","Tailored synthesis of nonlinear optical quaternary chalcohalides: Ba4Ge3S9Cl2, Ba4Si3Se9Cl2 and Ba4Ge3Se9Cl2.","Dalton transactions (Cambridge, England : 2003)","2017","46","8","2715","2721","10.1039/c6dt04294e","","","0.71073","MoKα","","0.0194","0.0186","","","0.0382","0.0383","","","","","","1.009","","","","has coordinates","193796","2020-10-21","18:00:00",""
"7041862","9.82","0.0004","9.82","0.0004","12.0544","0.0012","90","","90","","120","","1006.7","0.12","293","2","293","2","","","","","","","","4","P 63","P 6c","173","","","","- Ba4 Cl2 Ge3 S9 -","- Ba4 Cl2 Ge3 S9 -","- Ba8 Cl4 Ge6 S18 -","2","0.333333","","Liu, Peng-Fei; Li, Yan-Yan; Zheng, Yu-Jun; Yu, Ju-Song; Duan, Rui-Huan; Chen, Hong; Lin, Hua; Chen, Ling; Wu, Li-Ming","Tailored synthesis of nonlinear optical quaternary chalcohalides: Ba4Ge3S9Cl2, Ba4Si3Se9Cl2 and Ba4Ge3Se9Cl2.","Dalton transactions (Cambridge, England : 2003)","2017","46","8","2715","2721","10.1039/c6dt04294e","","","0.71073","MoKα","","0.0179","0.0161","","","0.0274","0.0278","","","","","","1.011","","","","has coordinates","193796","2020-10-21","18:00:00",""
"7041863","10.0924","0.0006","10.0924","0.0006","12.5117","0.0014","90","","90","","120","","1103.66","0.15","293","2","293","2","","","","","","","","4","P 63","P 6c","173","","","","- Ba4 Cl2 Ge3 Se9 -","- Ba4 Cl2 Ge3 Se9 -","- Ba8 Cl4 Ge6 Se18 -","2","0.333333","","Liu, Peng-Fei; Li, Yan-Yan; Zheng, Yu-Jun; Yu, Ju-Song; Duan, Rui-Huan; Chen, Hong; Lin, Hua; Chen, Ling; Wu, Li-Ming","Tailored synthesis of nonlinear optical quaternary chalcohalides: Ba4Ge3S9Cl2, Ba4Si3Se9Cl2 and Ba4Ge3Se9Cl2.","Dalton transactions (Cambridge, England : 2003)","2017","46","8","2715","2721","10.1039/c6dt04294e","","","0.71073","MoKα","","0.0227","0.0213","","","0.04","0.0404","","","","","","1.081","","","","has coordinates","193796","2020-10-21","18:00:00",""
"7041864","10.5163","0.0007","10.9689","0.0007","12.9195","0.0008","100.15","0.0013","104.724","0.0014","115.615","0.0012","1227.77","0.14","120","2","120","2","","","","","","","","5","P -1","-P 1","2","","","","- C29 H25 N O3 P2 -","- C29 H25 N O3 P2 -","- C58 H50 N2 O6 P4 -","2","1","","Borisova, Nataliya E.; Kharcheva, Anastasia V.; Patsaeva, Svetlana V.; Korotkov, Leonid A.; Bakaev, Sergey; Reshetova, Marina D.; Lyssenko, Konstantin A.; Belova, Elena V.; Myasoedov, Boris F.","Hard-and-soft phosphinoxide receptors for f-element binding: structure and photophysical properties of europium(iii) complexes.","Dalton transactions (Cambridge, England : 2003)","2017","46","7","2238","2248","10.1039/c6dt04681a","","","0.71073","MoKα","","0.0741","0.0486","","","0.1017","0.114","","","","","","1.018","","","","has coordinates","193822","2020-10-21","18:00:00",""
"7041865","8.5375","0.0011","12.2811","0.0016","15.439","0.002","69.8","0.003","84.355","0.003","84.962","0.003","1509.3","0.3","120","2","120","2","","","","","","","","5","P -1","-P 1","2","","","","- C36 H26 N2 O2 P2 -","- C36 H26 N2 O2 P2 -","- C72 H52 N4 O4 P4 -","2","1","","Borisova, Nataliya E.; Kharcheva, Anastasia V.; Patsaeva, Svetlana V.; Korotkov, Leonid A.; Bakaev, Sergey; Reshetova, Marina D.; Lyssenko, Konstantin A.; Belova, Elena V.; Myasoedov, Boris F.","Hard-and-soft phosphinoxide receptors for f-element binding: structure and photophysical properties of europium(iii) complexes.","Dalton transactions (Cambridge, England : 2003)","2017","46","7","2238","2248","10.1039/c6dt04681a","","","0.71073","MoKα","","0.1998","0.0738","","","0.1568","0.2189","","","","","","0.872","","","","has coordinates","193822","2020-10-21","18:00:00",""
"7041866","8.1","0.003","10.175","0.003","11.792","0.002","90.29","0.03","104.27","0.03","91.442","0.019","941.5","0.5","120","2","120","2","","","","","","","","5","P -1","-P 1","2","","","","- C24 H17 N2 O2 P -","- C24 H17 N2 O2 P -","- C48 H34 N4 O4 P2 -","2","1","","Borisova, Nataliya E.; Kharcheva, Anastasia V.; Patsaeva, Svetlana V.; Korotkov, Leonid A.; Bakaev, Sergey; Reshetova, Marina D.; Lyssenko, Konstantin A.; Belova, Elena V.; Myasoedov, Boris F.","Hard-and-soft phosphinoxide receptors for f-element binding: structure and photophysical properties of europium(iii) complexes.","Dalton transactions (Cambridge, England : 2003)","2017","46","7","2238","2248","10.1039/c6dt04681a","","","0.71073","MoKα","","0.1302","0.0639","","","0.1116","0.139","","","","","","0.971","","","","has coordinates","193822","2020-10-21","18:00:00",""
"7041867","8.6373","0.0006","20.0602","0.0014","11.4415","0.0008","90","","106.851","0.0016","90","","1897.3","0.2","120","2","120","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C42 H42 N2 O6 P2 -","- C42 H42 N2 O6 P2 -","- C84 H84 N4 O12 P4 -","2","0.5","","Borisova, Nataliya E.; Kharcheva, Anastasia V.; Patsaeva, Svetlana V.; Korotkov, Leonid A.; Bakaev, Sergey; Reshetova, Marina D.; Lyssenko, Konstantin A.; Belova, Elena V.; Myasoedov, Boris F.","Hard-and-soft phosphinoxide receptors for f-element binding: structure and photophysical properties of europium(iii) complexes.","Dalton transactions (Cambridge, England : 2003)","2017","46","7","2238","2248","10.1039/c6dt04681a","","","0.71073","MoKα","","0.0793","0.0582","","","0.1442","0.1608","","","","","","1.045","","","","has coordinates,has disorder","193822","2020-10-21","18:00:00",""
"7041868","19.844","0.0013","13.4298","0.0009","16.6234","0.0012","90","","90","","90","","4430.2","0.5","120","2","120","2","","","","","","","","7","P n a 21","P 2c -2n","33","","","","- C42 H30 Eu F9 N2 O10 P2 -","- C42 H30 Eu F9 N2 O10 P2 -","- C168 H120 Eu4 F36 N8 O40 P8 -","4","1","","Borisova, Nataliya E.; Kharcheva, Anastasia V.; Patsaeva, Svetlana V.; Korotkov, Leonid A.; Bakaev, Sergey; Reshetova, Marina D.; Lyssenko, Konstantin A.; Belova, Elena V.; Myasoedov, Boris F.","Hard-and-soft phosphinoxide receptors for f-element binding: structure and photophysical properties of europium(iii) complexes.","Dalton transactions (Cambridge, England : 2003)","2017","46","7","2238","2248","10.1039/c6dt04681a","","","0.71073","MoKα","","0.077","0.0458","","","0.0816","0.0934","","","","","","1.012","","","","has coordinates,has disorder","193822","2020-10-21","18:00:00",""
"7041869","20.593","0.002","17.456","0.002","19.15","0.002","90","","90.195","0.003","90","","6883.8","1.3","120","2","120","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C34 H26 Gd N5 O11 P2 -","- C34 H26 Gd N5 O11 P2 -","- C272 H208 Gd8 N40 O88 P16 -","8","2","","Borisova, Nataliya E.; Kharcheva, Anastasia V.; Patsaeva, Svetlana V.; Korotkov, Leonid A.; Bakaev, Sergey; Reshetova, Marina D.; Lyssenko, Konstantin A.; Belova, Elena V.; Myasoedov, Boris F.","Hard-and-soft phosphinoxide receptors for f-element binding: structure and photophysical properties of europium(iii) complexes.","Dalton transactions (Cambridge, England : 2003)","2017","46","7","2238","2248","10.1039/c6dt04681a","","","0.71073","MoKα","","0.0992","0.0575","","","0.1198","0.1401","","","","","","1.02","","","","has coordinates","193822","2020-10-21","18:00:00",""
"7041870","17.6927","0.0004","18.2618","0.0004","25.0124","0.0005","87.6009","0.0017","78.6468","0.0018","66.154","0.002","7240.6","0.3","120.02","0.1","120.02","0.1","","","","","","","","7","P -1","-P 1","2","","","","- C47 H73 Bi N3 O2 P Si2 -","- C47 H73 Bi N3 O2 P Si2 -","- C282 H438 Bi6 N18 O12 P6 Si12 -","6","3","","Schwamm, R. J.; Fulton, J. R.; Coles, M. P.; Fitchett, C. M.","Hydrophosphination-type reactivity promoted by bismuth phosphanides: scope and limitations.","Dalton transactions (Cambridge, England : 2003)","2017","46","7","2068","2071","10.1039/c7dt00226b","","x-ray","0.71073","MoKα","","0.0405","0.0313","","","0.0705","0.0747","","","","","","1.022","","","","has coordinates","202518","2020-10-21","18:00:00",""
"7041871","12.87859","0.00007","18.69702","0.0001","37.428","0.0002","90","","99.5776","0.0005","90","","8886.71","0.08","120.01","0.1","120.01","0.1","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C19 H28 N O P -","- C19 H28 N O P -","- C380 H560 N20 O20 P20 -","20","5","","Schwamm, R. J.; Fulton, J. R.; Coles, M. P.; Fitchett, C. M.","Hydrophosphination-type reactivity promoted by bismuth phosphanides: scope and limitations.","Dalton transactions (Cambridge, England : 2003)","2017","46","7","2068","2071","10.1039/c7dt00226b","","x-ray","1.54184","CuKα","","0.0542","0.0504","","","0.1399","0.1454","","","","","","1.012","","","","has coordinates,has disorder","193828","2020-10-21","18:00:00",""
"7041872","12.549","0.005","13.769","0.005","17.098","0.006","68.787","0.005","83.447","0.005","65.422","0.004","2502.3","1.6","293","2","293","2","","","","","","","","8","P -1","-P 1","2","","","","- C6 H74 Bi2 N4 Na4 O101 W20 Zn2 -","- C6 H74 Bi2 N4 Na4 O101 W20 Zn2 -","- C6 H74 Bi2 N4 Na4 O101 W20 Zn2 -","1","0.5","","Wang, Lu; Yu, K.; Zhu, J.; Zhou, B. B.; Liu, J. R.; Yang, G. Y.","Inhibitory effects of different substituted transition metal-based krebs-type sandwich structures on human hepatocellular carcinoma cells.","Dalton transactions (Cambridge, England : 2003)","2017","46","9","2874","2883","10.1039/c6dt02420c","","","0.71073","MoKα","","0.1565","0.0781","","","0.1887","0.2305","","","","","","0.979","","","","has coordinates","193841","2020-10-21","18:00:00",""
"7041873","12.4706","0.0005","13.6489","0.0005","16.9382","0.0006","69.435","0.003","82.923","0.003","64.629","0.004","2437.71","0.19","293","2","293","2","","","","","","","","8","P -1","-P 1","2","","","","- C6 H82 Bi2 N4 Na4 Ni3 O105.5 W19 -","- C6 H82 Bi2 N4 Na4 Ni2.998 O105.5 W19.002 -","- C6 H82 Bi2 N4 Na4 Ni2.998 O105.5 W19.002 -","1","0.5","","Wang, Lu; Yu, K.; Zhu, J.; Zhou, B. B.; Liu, J. R.; Yang, G. Y.","Inhibitory effects of different substituted transition metal-based krebs-type sandwich structures on human hepatocellular carcinoma cells.","Dalton transactions (Cambridge, England : 2003)","2017","46","9","2874","2883","10.1039/c6dt02420c","","","0.71073","MoKα","","0.0493","0.0382","","","0.0929","0.1092","","","","","","1.071","","","","has coordinates,has disorder","193841","2020-10-21","18:00:00",""
"7041874","17.3199","0.001","6.76","0.0003","21.6583","0.0012","90","","113.216","0.004","90","","2330.5","0.2","180.15","","180.15","","","","","","","","","6","P 1 21/m 1","-P 2yb","11","","","","- C44 H49 F6 N10 P Pt -","- C42 H46 F6 N9 P Pt -","- C84 H92 F12 N18 P2 Pt2 -","2","0.5","","Schäfer, Bernhard; Bauer, Thomas; Faus, Isabelle; Wolny, Juliusz A.; Dahms, Fabian; Fuhr, Olaf; Lebedkin, Sergei; Wille, Hans-Christian; Schlage, Kai; Chevalier, Katharina; Rupp, Fabian; Diller, Rolf; Schünemann, Volker; Kappes, Manfred M.; Ruben, Mario","A luminescent Pt2Fe spin crossover complex.","Dalton transactions (Cambridge, England : 2003)","2017","46","7","2289","2302","10.1039/c6dt04360g","","","0.71073","MoKα","","0.0525","0.049","","","0.1254","0.1273","","","","","","1.102","","","","has coordinates","193825","2020-10-21","18:00:00",""
"7041875","32.648","0.0008","19.9969","0.0005","17.9521","0.0004","90","","97.533","0.002","90","","11619","0.5","180.15","","180.15","","","","","","","","","8","C 1 2/c 1","-C 2yc","15","","","","- C90 H106 B4 Cl20 F16 Fe N16 Pt2 -","- C90 H106 B4 Cl20 F16 Fe N16 Pt2 -","- C360 H424 B16 Cl80 F64 Fe4 N64 Pt8 -","4","0.5","","Schäfer, Bernhard; Bauer, Thomas; Faus, Isabelle; Wolny, Juliusz A.; Dahms, Fabian; Fuhr, Olaf; Lebedkin, Sergei; Wille, Hans-Christian; Schlage, Kai; Chevalier, Katharina; Rupp, Fabian; Diller, Rolf; Schünemann, Volker; Kappes, Manfred M.; Ruben, Mario","A luminescent Pt2Fe spin crossover complex.","Dalton transactions (Cambridge, England : 2003)","2017","46","7","2289","2302","10.1039/c6dt04360g","","","0.71073","MoKα","","0.0647","0.057","","","0.1609","0.1695","","","","","","1.026","","","","has coordinates","193825","2020-10-21","18:00:00",""
"7041876","16.3344","0.0003","17.2029","0.0004","18.5945","0.0004","92.483","0.002","114.56","0.002","90.524","0.002","4745.73","0.19","180.15","","180.15","","","","","","","","","8","P -1","-P 1","2","","","","- C83.5 H91 B4 Cl7 F16 Fe N16 Pt2 -","- C83.5 H91 B4 Cl7 F16 Fe N16 Pt2 -","- C167 H182 B8 Cl14 F32 Fe2 N32 Pt4 -","2","1","","Schäfer, Bernhard; Bauer, Thomas; Faus, Isabelle; Wolny, Juliusz A.; Dahms, Fabian; Fuhr, Olaf; Lebedkin, Sergei; Wille, Hans-Christian; Schlage, Kai; Chevalier, Katharina; Rupp, Fabian; Diller, Rolf; Schünemann, Volker; Kappes, Manfred M.; Ruben, Mario","A luminescent Pt2Fe spin crossover complex.","Dalton transactions (Cambridge, England : 2003)","2017","46","7","2289","2302","10.1039/c6dt04360g","","","0.71073","MoKα","","0.0807","0.0532","","","0.1231","0.1341","","","","","","0.997","","","","has coordinates,has disorder","193825","2020-10-21","18:00:00",""
"7041877","11.0539","0.0009","16.0359","0.0014","13.2399","0.0011","90","","103.545","0.002","90","","2281.6","0.3","150","2","150","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","Compound 2","","- C16 H23 Cl3 Cu2 N6 O5 -","- C16 H23 Cl3 Cu2 N6 O5 -","- C64 H92 Cl12 Cu8 N24 O20 -","4","1","","Anwar, Muhammad U.; Rawson, Jeremy M.; Gavey, Emma L.; Pilkington, Melanie; Al-Harrasi, Ahmed; Thompson, Laurence K.","Synthesis, characterization and magnetic studies on mono-, di-, and tri-nuclear Cu(ii) complexes of a new versatile diazine ligand.","Dalton transactions (Cambridge, England : 2003)","2017","46","7","2105","2113","10.1039/c6dt04794g","","","0.71073","MoKα","","0.0417","0.0342","","","0.0687","0.0715","","","","","","1.058","","","","has coordinates","193831","2020-10-21","18:00:00",""
"7041878","24.005","0.017","7.518","0.005","21.135","0.015","90","","116.849","0.017","90","","3403","4","150","2","150","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","Compound 4","","- C29.5 H29 Cu3 N14 O11 -","- C29.5 H29 Cu3 N14 O11 -","- C118 H116 Cu12 N56 O44 -","4","0.5","","Anwar, Muhammad U.; Rawson, Jeremy M.; Gavey, Emma L.; Pilkington, Melanie; Al-Harrasi, Ahmed; Thompson, Laurence K.","Synthesis, characterization and magnetic studies on mono-, di-, and tri-nuclear Cu(ii) complexes of a new versatile diazine ligand.","Dalton transactions (Cambridge, England : 2003)","2017","46","7","2105","2113","10.1039/c6dt04794g","","","0.71073","MoKα","","0.0666","0.0495","","","0.1112","0.1197","","","","","","1.11","","","","has coordinates,has disorder","193831","2020-10-21","18:00:00",""
"7041879","8.026","0.004","12.141","0.007","14.647","0.008","68.018","0.006","87.679","0.007","74.002","0.007","1269.1","1.2","150","2","150","2","","","","","","","","5","P -1","-P 1","2","","Compound 3","","- C32 H42 Cu3 N16 O20 -","- C32 H42 Cu3 N16 O20 -","- C32 H42 Cu3 N16 O20 -","1","0.5","","Anwar, Muhammad U.; Rawson, Jeremy M.; Gavey, Emma L.; Pilkington, Melanie; Al-Harrasi, Ahmed; Thompson, Laurence K.","Synthesis, characterization and magnetic studies on mono-, di-, and tri-nuclear Cu(ii) complexes of a new versatile diazine ligand.","Dalton transactions (Cambridge, England : 2003)","2017","46","7","2105","2113","10.1039/c6dt04794g","","","0.71073","MoKα","","0.0809","0.0634","","","0.1492","0.1578","","","","","","1.099","","","","has coordinates,has disorder","193831","2020-10-21","18:00:00",""
"7041880","8.35","0.006","12.084","0.009","12.264","0.009","68.723","0.007","89.547","0.008","87.922","0.008","1152.3","1.5","150","2","150","2","","","","","","","","6","P -1","-P 1","2","","Compound 1","","- C17 H26 Cl2 Cu N6 O5 -","- C17 H26 Cl2 Cu N6 O5 -","- C34 H52 Cl4 Cu2 N12 O10 -","2","1","","Anwar, Muhammad U.; Rawson, Jeremy M.; Gavey, Emma L.; Pilkington, Melanie; Al-Harrasi, Ahmed; Thompson, Laurence K.","Synthesis, characterization and magnetic studies on mono-, di-, and tri-nuclear Cu(ii) complexes of a new versatile diazine ligand.","Dalton transactions (Cambridge, England : 2003)","2017","46","7","2105","2113","10.1039/c6dt04794g","","","0.71073","MoKα","","0.0493","0.0424","","","0.0959","0.0992","","","","","","1.079","","","","has coordinates","193831","2020-10-21","18:00:00",""
"7041881","23.1503","0.0009","21.5759","0.0009","17.4754","0.0006","90","","108.302","0.001","90","","8287.2","0.6","200","2","200","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C60 H108 N8 Na4 O4 Zn4 -","- C60 H108 N8 Na4 O4 Zn4 -","- C240 H432 N32 Na16 O16 Zn16 -","4","1","","Guo, Zhiqiang; Wang, Yakong; Cao, Wei; Chao, Jianbin; Wei, Xuehong","Structural diversity of alkali-metal (Li, Na, K) alkyl zincates containing bidentate aminopyrrolyl ligands: from molecular complexes to coordination polymers.","Dalton transactions (Cambridge, England : 2003)","2017","46","9","2765","2769","10.1039/c7dt00052a","","","0.71073","MoKα","","0.1115","0.068","","","0.1908","0.2089","","","","","","1.075","","","","has coordinates,has disorder","193840","2020-10-21","18:00:00",""
"7041882","8.8441","0.0005","17.0429","0.001","28.1718","0.0017","90","","95.578","0.002","90","","4226.2","0.4","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C35 H61 N6 Na2 Zn2 -","- C35 H61 N6 Na2 Zn2 -","- C140 H244 N24 Na8 Zn8 -","4","1","","Guo, Zhiqiang; Wang, Yakong; Cao, Wei; Chao, Jianbin; Wei, Xuehong","Structural diversity of alkali-metal (Li, Na, K) alkyl zincates containing bidentate aminopyrrolyl ligands: from molecular complexes to coordination polymers.","Dalton transactions (Cambridge, England : 2003)","2017","46","9","2765","2769","10.1039/c7dt00052a","","","0.71073","MoKα","","0.0712","0.0623","","","0.156","0.1605","","","","","","1.071","","","","has coordinates","193840","2020-10-21","18:00:00",""
"7041883","11.449","0.003","21.793","0.006","17.029","0.005","90","","94.983","0.006","90","","4233","2","253","2","253","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C34 H70 Li2 N8 Zn2 -","- C34 H70 Li2 N8 Zn2 -","- C136 H280 Li8 N32 Zn8 -","4","1","","Guo, Zhiqiang; Wang, Yakong; Cao, Wei; Chao, Jianbin; Wei, Xuehong","Structural diversity of alkali-metal (Li, Na, K) alkyl zincates containing bidentate aminopyrrolyl ligands: from molecular complexes to coordination polymers.","Dalton transactions (Cambridge, England : 2003)","2017","46","9","2765","2769","10.1039/c7dt00052a","","","0.71073","MoKα","","0.0748","0.0525","","","0.1397","0.1546","","","","","","1.075","","","","has coordinates","193840","2020-10-21","18:00:00",""
"7041884","10.7556","0.0008","14.6395","0.0011","24.3304","0.0018","90","","90","","90","","3831","0.5","100","2","100","2","","","","","","","","6","P 21 21 2","P 2 2ab","18","","","","- C124 H216 K8 N16 O9 Zn8 -","- C124 H216 K8 N16 O9 Zn8 -","- C124 H216 K8 N16 O9 Zn8 -","1","0.25","","Guo, Zhiqiang; Wang, Yakong; Cao, Wei; Chao, Jianbin; Wei, Xuehong","Structural diversity of alkali-metal (Li, Na, K) alkyl zincates containing bidentate aminopyrrolyl ligands: from molecular complexes to coordination polymers.","Dalton transactions (Cambridge, England : 2003)","2017","46","9","2765","2769","10.1039/c7dt00052a","","","0.71073","MoKα","","0.1134","0.0767","","","0.1638","0.1852","","","","","","1.074","","","","has coordinates","193840","2020-10-21","18:00:00",""
"7041885","18.327","0.003","12.58","0.002","25.84","0.005","90","","90.809","0.004","90","","5956.9","1.8","296","2","296","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C63 H52 Cl4 N O4 P4 Re2 -","- C63 H52 Cl4 N O4 P4 Re2 -","- C252 H208 Cl16 N4 O16 P16 Re8 -","4","1","","Mallick, Suman; Ghosh, Mrinal Kanti; Mandal, Suman; Rane, Vinayak; Kadam, Ramakant; Chatterjee, Annesha; Bhattacharyya, Arindam; Chattopadhyay, Swarup","The first examples of multiply bonded dirhenium(iii,ii) paramagnetic complexes containing nitrobenzoate ligands: spectroscopic, structural, cytotoxicity and computational studies.","Dalton transactions (Cambridge, England : 2003)","2017","46","17","5670","5679","10.1039/c7dt00142h","","","0.71073","MoKα","","0.0658","0.0483","","","0.1032","0.1098","","","","","","1.125","","","","has coordinates,has disorder","196401","2020-10-21","18:00:00",""
"7041886","13.7886","0.0006","13.7886","0.0006","15.0538","0.0003","90","","90","","90","","2862.11","0.19","123","","123","","","","","","","","","4","I 4/m","-I 4","87","Ext_PhGe4 with CH2Cl2","extended octaphenyl germa[4]pericyclyne","","- C66 H40 Cl4 Ge4 -","- C66 H40 Cl4 Ge4 -","- C132 H80 Cl8 Ge8 -","2","0.125","","Tanimoto, Hiroki; Fujiwara, Taro; Mori, Junta; Nagao, Tomohiko; Nishiyama, Yasuhiro; Morimoto, Tsumoru; Ito, Shunichiro; Tanaka, Kazuo; Chujo, Yoshiki; Kakiuchi, Kiyomi","Extended germa[N]pericyclynes: synthesis and characterization.","Dalton transactions (Cambridge, England : 2003)","2017","46","7","2281","2288","10.1039/c6dt04633a","","","0.71075","MoKα","","0.0478","0.0416","","","0.1076","0.1108","","","","","","1.114","","","","has coordinates","193832","2020-10-21","18:00:00",""
"7041887","8.8171","0.0002","17.6246","0.0005","17.7526","0.0006","66.892","0.0005","87.696","0.0006","79.592","0.0006","2494.19","0.12","123","","123","","","","","","","","","3","P -1","-P 1","2","Ext_PhGe[6]","extended dodecaphenyl germa[6]pericyclyne","","- C96 H50 Ge6 -","- C96 H50 Ge6 -","- C96 H50 Ge6 -","1","0.5","","Tanimoto, Hiroki; Fujiwara, Taro; Mori, Junta; Nagao, Tomohiko; Nishiyama, Yasuhiro; Morimoto, Tsumoru; Ito, Shunichiro; Tanaka, Kazuo; Chujo, Yoshiki; Kakiuchi, Kiyomi","Extended germa[N]pericyclynes: synthesis and characterization.","Dalton transactions (Cambridge, England : 2003)","2017","46","7","2281","2288","10.1039/c6dt04633a","","","0.71075","MoKα","","0.0804","0.0568","","","0.1439","0.1545","","","","","","1.033","","","","has coordinates,has disorder","193832","2020-10-21","18:00:00",""
"7041888","8.5865","0.0005","17.1492","0.001","23.1679","0.0013","108.405","0.008","91.775","0.007","98.171","0.007","3193.7","0.4","123","","123","","","","","","","","","4","P -1","-P 1","2","Ext_PhGe[8] with CH2Cl2","extended hexadecaphenyl germa[8]pericyclyne","","- C130 H82 Cl2 Ge8 -","- C130 H82 Cl2 Ge8 -","- C130 H82 Cl2 Ge8 -","1","0.5","","Tanimoto, Hiroki; Fujiwara, Taro; Mori, Junta; Nagao, Tomohiko; Nishiyama, Yasuhiro; Morimoto, Tsumoru; Ito, Shunichiro; Tanaka, Kazuo; Chujo, Yoshiki; Kakiuchi, Kiyomi","Extended germa[N]pericyclynes: synthesis and characterization.","Dalton transactions (Cambridge, England : 2003)","2017","46","7","2281","2288","10.1039/c6dt04633a","","","0.71075","MoKα","","0.1219","0.0733","","","0.1555","0.1744","","","","","","1.03","","","","has coordinates,has disorder","193832","2020-10-21","18:00:00",""
"7041889","30.1774","0.0006","27.4706","0.0005","8.96993","0.00016","90","","90","","90","","7436","0.2","123","","123","","","","","","","","","3","P n m a","-P 2ac 2n","62","Ext_PhGe[5] with hexane","extended decaphenyl germa[5]pericyclyne","","- C86 H40 Ge5 -","- C86 H40 Ge5 -","- C344 H160 Ge20 -","4","0.5","","Tanimoto, Hiroki; Fujiwara, Taro; Mori, Junta; Nagao, Tomohiko; Nishiyama, Yasuhiro; Morimoto, Tsumoru; Ito, Shunichiro; Tanaka, Kazuo; Chujo, Yoshiki; Kakiuchi, Kiyomi","Extended germa[N]pericyclynes: synthesis and characterization.","Dalton transactions (Cambridge, England : 2003)","2017","46","7","2281","2288","10.1039/c6dt04633a","","","0.71075","MoKα","","0.059","0.0467","","","0.1074","0.1136","","","","","","1.034","","","","has coordinates,has disorder","193832","2020-10-21","18:00:00",""
"7041890","12.194","0.006","12.647","0.006","12.699","0.006","83.837","0.011","83.66","0.013","77.272","0.012","1891.6","1.6","296","2","296.15","","","","","","","","","4","P -1","-P 1","2","","","","- C23 H11 O11 Zn2.5 -","- C23 H11 O11 Zn2.5 -","- C46 H22 O22 Zn5 -","2","1","","Wu, Xue-Qian; Huang, Dan-Dan; Zhou, Zhi-Hang; Dong, Wen-Wen; Wu, Ya-Pan; Zhao, Jun; Li, Dong-Sheng; Zhang, Qichun; Bu, Xianhui","Ag-NPs embedded in two novel Zn3/Zn5-cluster-based metal-organic frameworks for catalytic reduction of 2/3/4-nitrophenol.","Dalton transactions (Cambridge, England : 2003)","2017","46","8","2430","2438","10.1039/c7dt00024c","","","0.71073","MoKα","","0.0654","0.0496","","","0.1259","0.1341","","","","","","0.992","","","","has coordinates","193789","2020-10-21","18:00:00",""
"7041891","20.137","0.011","10.702","0.006","11.418","0.006","90","","90","","90","","2461","2","293","","293","","","","","","","","","4","P m n 21","P 2ac -2","31","","","","- C23 H15 O14 Zn3 -","- C23 H16 O14 Zn3 -","- C46 H32 O28 Zn6 -","2","0.5","","Wu, Xue-Qian; Huang, Dan-Dan; Zhou, Zhi-Hang; Dong, Wen-Wen; Wu, Ya-Pan; Zhao, Jun; Li, Dong-Sheng; Zhang, Qichun; Bu, Xianhui","Ag-NPs embedded in two novel Zn3/Zn5-cluster-based metal-organic frameworks for catalytic reduction of 2/3/4-nitrophenol.","Dalton transactions (Cambridge, England : 2003)","2017","46","8","2430","2438","10.1039/c7dt00024c","","","0.71073","MoKα","","0.0439","0.041","","","0.111","0.1131","","","","","","1.048","","","","has coordinates","193789","2020-10-21","18:00:00",""
"7041892","9.9515","0.0007","15.555","0.0012","23.2268","0.0017","85.201","0.002","82.849","0.002","85.634","0.002","3547.1","0.5","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","","","- C70 H90 Cs5 Li3 O12 -","- C64 H76 Cs5 Li3 O12 -","- C128 H152 Cs10 Li6 O24 -","2","1","","Spisak, Sarah N.; Wei, Zheng; Petrukhina, Marina A.","Mixing Li and Cs in the reduction of corannulene for the assembly of a cesium-capped sandwich with a hexanuclear heterometallic core.","Dalton transactions (Cambridge, England : 2003)","2017","46","17","5625","5630","10.1039/c6dt04521a","","","0.71073","MoKα","","0.1071","0.074","","","0.1673","0.1872","","","","","","1.027","","","","has coordinates,has disorder","196393","2020-10-21","18:00:00",""
"7041893","15.254","0.0004","18.48","0.0005","23.6173","0.0006","90","","104.182","0.001","90","","6454.7","0.3","100","2","100","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C62 H74 N18 Zn5 -","- C62 H74 N18 Zn5 -","- C248 H296 N72 Zn20 -","4","1","","Bunzen, Hana; Grzywa, Maciej; Kalytta-Mewes, Andreas; Volkmer, Dirk","One-pot synthesis of ultrastable pentanuclear alkylzinc complexes.","Dalton transactions (Cambridge, England : 2003)","2017","46","8","2618","2625","10.1039/c6dt04778e","","","0.71073","MoKα","","0.0463","0.0285","","","0.0593","0.0661","","","","","","0.936","","","","has coordinates,has disorder","193775","2020-10-21","18:00:00",""
"7041894","12.636","0.01","12.676","0.01","14.952","0.011","66.34","0.03","70.68","0.04","72.25","0.03","2029","3","293","","200","","","","","","","","","6","P -1","-P 1","2","","","","- C19 H21 Au N2 O5 P -","- C19 H21 Au N2 O5 P -","- C76 H84 Au4 N8 O20 P4 -","4","2","","Suzuki, Shuichi; Kira, Sayaka; Kozaki, Masatoshi; Yamamura, Masaki; Hasegawa, Toru; Nabeshima, Tatsuya; Okada, Keiji","An efficient synthetic method for organometallic radicals: structures and properties of gold(i)-(nitronyl nitroxide)-2-ide complexes.","Dalton transactions (Cambridge, England : 2003)","2017","46","8","2653","2659","10.1039/c6dt04685a","","","0.71075","MoKα","","","0.0364","","","","0.0294","","","","","","1.031","","","","has coordinates","193794","2020-10-21","18:00:00",""
"7041895","11.663","0.005","19.532","0.007","12.042","0.005","90","","102.95","0.004","90","","2673.4","1.9","200","","200","","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C25 H45 Au N2 O2 P -","- C25 H45 Au N2 O2 P -","- C100 H180 Au4 N8 O8 P4 -","4","1","","Suzuki, Shuichi; Kira, Sayaka; Kozaki, Masatoshi; Yamamura, Masaki; Hasegawa, Toru; Nabeshima, Tatsuya; Okada, Keiji","An efficient synthetic method for organometallic radicals: structures and properties of gold(i)-(nitronyl nitroxide)-2-ide complexes.","Dalton transactions (Cambridge, England : 2003)","2017","46","8","2653","2659","10.1039/c6dt04685a","","","0.71075","MoKα","","0.0356","0.0274","","","0.0556","0.0585","","","","","","0.986","","","","has coordinates","193794","2020-10-21","18:00:00",""
"7041896","17.39","0.017","9.52","0.009","17.974","0.018","90","","114.28","0.013","90","","2712","5","200","","200","","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C27 H39 Au N2 O2 P -","- C27 H39 Au N2 O2 P -","- C108 H156 Au4 N8 O8 P4 -","4","1","","Suzuki, Shuichi; Kira, Sayaka; Kozaki, Masatoshi; Yamamura, Masaki; Hasegawa, Toru; Nabeshima, Tatsuya; Okada, Keiji","An efficient synthetic method for organometallic radicals: structures and properties of gold(i)-(nitronyl nitroxide)-2-ide complexes.","Dalton transactions (Cambridge, England : 2003)","2017","46","8","2653","2659","10.1039/c6dt04685a","","","0.71075","MoKα","","","0.029","","","","0.0409","","","","","","0.881","","","","has coordinates","193794","2020-10-21","18:00:00",""
"7041897","17.42","0.008","14.491","0.006","23.514","0.01","90","","101.724","0.005","90","","5812","4","200","","200","","","","","","","","","8","C 1 2/c 1","-C 2yc","15","","","","- C26.5 H24 Au Cl3 N2 O2 P S3 -","- C26.5 H24 Au Cl3 N2 O2 P S3 -","- C212 H192 Au8 Cl24 N16 O16 P8 S24 -","8","1","","Suzuki, Shuichi; Kira, Sayaka; Kozaki, Masatoshi; Yamamura, Masaki; Hasegawa, Toru; Nabeshima, Tatsuya; Okada, Keiji","An efficient synthetic method for organometallic radicals: structures and properties of gold(i)-(nitronyl nitroxide)-2-ide complexes.","Dalton transactions (Cambridge, England : 2003)","2017","46","8","2653","2659","10.1039/c6dt04685a","","","0.71075","MoKα","","","0.0548","","","","0.1439","","","","","","1.298","","","","has coordinates","193794","2020-10-21","18:00:00",""
"7041898","11.268","0.006","19.898","0.009","13.147","0.006","90","","114.666","0.007","90","","2679","2","200","","200","","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C29 H31 Au Fe N2 O2 P -","- C29 H31 Au Fe N2 O2 P -","- C116 H124 Au4 Fe4 N8 O8 P4 -","4","1","","Suzuki, Shuichi; Kira, Sayaka; Kozaki, Masatoshi; Yamamura, Masaki; Hasegawa, Toru; Nabeshima, Tatsuya; Okada, Keiji","An efficient synthetic method for organometallic radicals: structures and properties of gold(i)-(nitronyl nitroxide)-2-ide complexes.","Dalton transactions (Cambridge, England : 2003)","2017","46","8","2653","2659","10.1039/c6dt04685a","","","0.71075","MoKα","","0.033","0.0291","","","0.071","0.0732","","","","","","1.076","","","","has coordinates","193794","2020-10-21","18:00:00",""
"7041899","16.3881","0.0004","28.2501","0.0007","18.8581","0.0005","90","","115.671","0.001","90","","7868.9","0.4","150","2","150","2","","","","","","","synthesis as described","8","P 1 21/c 1","-P 2ybc","14","","","","- C69 H57 B F15 N O2 Si2 Zr -","- C69 H57 B F15 N O2 Si2 Zr -","- C276 H228 B4 F60 N4 O8 Si8 Zr4 -","4","1","","Annunziata, Liana; Roisnel, Thierry; Razavi, Abbas; Carpentier, Jean-François; Kirillov, Evgueni","Conformationally dynamic titanium and zirconium cationic complexes of bis(naphthoxy)pyridine ligands: structure, ""oscillation"" and olefin polymerization catalysis.","Dalton transactions (Cambridge, England : 2003)","2017","46","10","3150","3159","10.1039/c6dt04680k","","x-ray","0.71073","MoKα","","0.0716","0.0472","","","0.1421","0.1553","","","","","","1.065","","","","has coordinates,has disorder","195047","2020-10-21","18:00:00",""
"7041900","18.8689","0.001","20.4867","0.0011","22.9343","0.0013","69.667","0.002","75.579","0.002","70.528","0.002","7748.1","0.7","150","2","150","2","","","","","","","synthesis as described","7","P -1","-P 1","2","","","","- C53 H64 Cl2 N2 O2 Si2 Zr -","- C53 H64 Cl2 N2 O2 Si2 Zr -","- C318 H384 Cl12 N12 O12 Si12 Zr6 -","6","3","","Annunziata, Liana; Roisnel, Thierry; Razavi, Abbas; Carpentier, Jean-François; Kirillov, Evgueni","Conformationally dynamic titanium and zirconium cationic complexes of bis(naphthoxy)pyridine ligands: structure, ""oscillation"" and olefin polymerization catalysis.","Dalton transactions (Cambridge, England : 2003)","2017","46","10","3150","3159","10.1039/c6dt04680k","","x-ray","0.71073","MoKα","","0.1031","0.0643","","","0.1495","0.1701","","","","","","1.114","","","","has coordinates","203412","2020-10-21","18:00:00",""
"7041901","25.975","0.0002","19.349","0.0002","18.347","0.0002","90","","134.064","0.001","90","","6625.89","0.16","150","2","150.15","","","","","","","","","8","C 1 2 1","C 2y","5","","","","- C60 H61 B F24 N8 O2 Ru S -","- C60 H61 B F24 N8 O2 Ru S -","- C240 H244 B4 F96 N32 O8 Ru4 S4 -","4","1","","Häller, L Jonas L; Mas-Marzá, Elena; Cybulski, Mateusz K.; Sanguramath, Rajashekharayya A.; Macgregor, Stuart A.; Mahon, Mary F.; Raynaud, Christophe; Russell, Christopher A.; Whittlesey, Michael K.","Computation provides chemical insight into the diverse hydride NMR chemical shifts of [Ru(NHC)4(L)H](0/+) species (NHC = N-heterocyclic carbene; L = vacant, H2, N2, CO, MeCN, O2, P4, SO2, H(-), F(-) and Cl(-)) and their [Ru(R2PCH2CH2PR2)2(L)H](+) congeners.","Dalton transactions (Cambridge, England : 2003)","2017","46","9","2861","2873","10.1039/c7dt00117g","","","0.71073","MoKα","","0.0591","0.0383","","","0.0804","0.0888","","","","","","1.036","","","","has coordinates,has disorder","193834","2020-10-21","18:00:00",""
"7041902","20.673","0.0001","19.627","0.0001","20.68","0.0001","90","","110.534","0.001","90","","7857.77","0.08","150","2","150.15","","","","","","","","","8","P 1 21/a 1","-P 2yab","14","","","","- C70 H83 B F24 N8 O P4 Ru -","- C70 H82 B F24 N8 O P4 Ru -","- C280 H328 B4 F96 N32 O4 P16 Ru4 -","4","1","","Häller, L Jonas L; Mas-Marzá, Elena; Cybulski, Mateusz K.; Sanguramath, Rajashekharayya A.; Macgregor, Stuart A.; Mahon, Mary F.; Raynaud, Christophe; Russell, Christopher A.; Whittlesey, Michael K.","Computation provides chemical insight into the diverse hydride NMR chemical shifts of [Ru(NHC)4(L)H](0/+) species (NHC = N-heterocyclic carbene; L = vacant, H2, N2, CO, MeCN, O2, P4, SO2, H(-), F(-) and Cl(-)) and their [Ru(R2PCH2CH2PR2)2(L)H](+) congeners.","Dalton transactions (Cambridge, England : 2003)","2017","46","9","2861","2873","10.1039/c7dt00117g","","","0.71073","MoKα","","0.076","0.0619","","","0.1656","0.1829","","","","","","1.027","","","","has coordinates,has disorder","193834","2020-10-21","18:00:00",""
"7041903","11.7656","0.0001","11.7656","0.0001","11.17831","0.00017","90","","90","","90","","1547.41","0.03","150","2","150","2","","","","","","","","5","P 4 n c","P 4 -2n","104","","","","- C28 H49 Cl N8 Ru -","- C28 H49 Cl N8 Ru -","- C56 H98 Cl2 N16 Ru2 -","2","0.25","","Häller, L Jonas L; Mas-Marzá, Elena; Cybulski, Mateusz K.; Sanguramath, Rajashekharayya A.; Macgregor, Stuart A.; Mahon, Mary F.; Raynaud, Christophe; Russell, Christopher A.; Whittlesey, Michael K.","Computation provides chemical insight into the diverse hydride NMR chemical shifts of [Ru(NHC)4(L)H](0/+) species (NHC = N-heterocyclic carbene; L = vacant, H2, N2, CO, MeCN, O2, P4, SO2, H(-), F(-) and Cl(-)) and their [Ru(R2PCH2CH2PR2)2(L)H](+) congeners.","Dalton transactions (Cambridge, England : 2003)","2017","46","9","2861","2873","10.1039/c7dt00117g","","x-ray","1.54184","CuKα","","0.0296","0.0293","","","0.0785","0.0792","","","","","","1.077","","","","has coordinates","193834","2020-10-21","18:00:00",""
"7041904","8.0985","0.0009","9.0458","0.0011","9.3604","0.0011","88.324","0.006","65.021","0.005","71.131","0.006","583.55","0.12","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","","","- C4 H8 F6 Mg O8 -","- C4 H8 F6 Mg O8 -","- C8 H16 F12 Mg2 O16 -","2","1","","Dulani Dhanapala, B.; Mannino, Natalie A.; Mendoza, Laura M.; Tauni Dissanayake, K.; Martin, Philip D.; Suescun, Leopoldo; Rabuffetti, Federico A.","Synthesis of bimetallic trifluoroacetates through a crystallochemical investigation of their monometallic counterparts: the case of (A, A')(CF3COO)2·nH2O (A, A' = Mg, Ca, Sr, Ba, Mn).","Dalton transactions (Cambridge, England : 2003)","2017","46","5","1420","1430","10.1039/c6dt04152c","","","0.71073","MoKα","","0.0376","0.0307","","","0.0737","0.0775","","","","","","1.036","","","","has coordinates","191173","2020-10-21","18:00:00",""
"7041905","13.2064","0.0006","12.6063","0.0006","8.3132","0.0004","90","","118.849","0.002","90","","1212.25","0.1","300","2","300","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","magnesium(ii)-tetraaquo-bistrifluoroacetate","","- C4 H8 F6 Mg O8 -","- C4 H8 F6 Mg O8 -","- C16 H32 F24 Mg4 O32 -","4","0.5","","Dulani Dhanapala, B.; Mannino, Natalie A.; Mendoza, Laura M.; Tauni Dissanayake, K.; Martin, Philip D.; Suescun, Leopoldo; Rabuffetti, Federico A.","Synthesis of bimetallic trifluoroacetates through a crystallochemical investigation of their monometallic counterparts: the case of (A, A')(CF3COO)2·nH2O (A, A' = Mg, Ca, Sr, Ba, Mn).","Dalton transactions (Cambridge, England : 2003)","2017","46","5","1420","1430","10.1039/c6dt04152c","","","0.71073","MoKα","","0.0314","0.0266","","","0.0741","0.0781","","","","","","1.049","","","","has coordinates,has disorder","191173","2020-10-21","18:00:00",""
"7041906","9.0195","0.0005","9.0431","0.0005","15.9167","0.0009","90","","90.694","0.003","90","","1298.14","0.13","100","2","100","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C12 H8 F18 Mn3 O16 -","- C12 H8 F18 Mn3 O16 -","- C24 H16 F36 Mn6 O32 -","2","0.5","","Dulani Dhanapala, B.; Mannino, Natalie A.; Mendoza, Laura M.; Tauni Dissanayake, K.; Martin, Philip D.; Suescun, Leopoldo; Rabuffetti, Federico A.","Synthesis of bimetallic trifluoroacetates through a crystallochemical investigation of their monometallic counterparts: the case of (A, A')(CF3COO)2·nH2O (A, A' = Mg, Ca, Sr, Ba, Mn).","Dalton transactions (Cambridge, England : 2003)","2017","46","5","1420","1430","10.1039/c6dt04152c","","","0.71073","MoKα","","0.0669","0.0515","","","0.114","0.1219","","","","","","1.053","","","","has coordinates,has disorder","191173","2020-10-21","18:00:00",""
"7041907","8.1926","0.0006","9.0995","0.0007","9.4154","0.0007","88.761","0.004","63.982","0.003","71.251","0.004","591.39","0.08","100","2","100","2","","","","","","","","6","P -1","-P 1","2","","","","- C4 H8 F6 Mg0.45 Mn0.55 O8 -","- C4 H8 F6 Mg0.452 Mn0.548 O8 -","- C8 H16 F12 Mg0.904 Mn1.096 O16 -","2","1","","Dulani Dhanapala, B.; Mannino, Natalie A.; Mendoza, Laura M.; Tauni Dissanayake, K.; Martin, Philip D.; Suescun, Leopoldo; Rabuffetti, Federico A.","Synthesis of bimetallic trifluoroacetates through a crystallochemical investigation of their monometallic counterparts: the case of (A, A')(CF3COO)2·nH2O (A, A' = Mg, Ca, Sr, Ba, Mn).","Dalton transactions (Cambridge, England : 2003)","2017","46","5","1420","1430","10.1039/c6dt04152c","","","0.71073","MoKα","","0.0458","0.0304","","","0.0616","0.0662","","","","","","1.032","","","","has coordinates","191173","2020-10-21","18:00:00",""
"7041908","9.0523","0.0005","9.1619","0.0005","16.3326","0.001","90","","92.621","0.003","90","","1353.15","0.13","100","2","100","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C12 H8 Ca1.72 F18 Mn1.28 O16 -","- C12 H8 Ca1.712 F18 Mn1.288 O16 -","- C24 H16 Ca3.424 F36 Mn2.576 O32 -","2","0.5","","Dulani Dhanapala, B.; Mannino, Natalie A.; Mendoza, Laura M.; Tauni Dissanayake, K.; Martin, Philip D.; Suescun, Leopoldo; Rabuffetti, Federico A.","Synthesis of bimetallic trifluoroacetates through a crystallochemical investigation of their monometallic counterparts: the case of (A, A')(CF3COO)2·nH2O (A, A' = Mg, Ca, Sr, Ba, Mn).","Dalton transactions (Cambridge, England : 2003)","2017","46","5","1420","1430","10.1039/c6dt04152c","","","0.71073","MoKα","","0.0672","0.0404","","","0.1008","0.1128","","","","","","1.066","","","","has coordinates,has disorder","191173","2020-10-21","18:00:00",""
"7041909","8.1395","0.0004","9.0727","0.0005","9.3369","0.0005","88.102","0.003","65.91","0.002","70.795","0.002","590.32","0.06","143","2","143","2","","","","","","","","5","P -1","-P 1","2","","","","- C4 H8 F6 Mg O8 -","- C4 H8 F6 Mg O8 -","- C8 H16 F12 Mg2 O16 -","2","1","","Dulani Dhanapala, B.; Mannino, Natalie A.; Mendoza, Laura M.; Tauni Dissanayake, K.; Martin, Philip D.; Suescun, Leopoldo; Rabuffetti, Federico A.","Synthesis of bimetallic trifluoroacetates through a crystallochemical investigation of their monometallic counterparts: the case of (A, A')(CF3COO)2·nH2O (A, A' = Mg, Ca, Sr, Ba, Mn).","Dalton transactions (Cambridge, England : 2003)","2017","46","5","1420","1430","10.1039/c6dt04152c","","","0.71073","MoKα","","0.0791","0.0603","","","0.1581","0.1773","","","","","","1.045","","","","has coordinates","191173","2020-10-21","18:00:00",""
"7041910","8.142","0.002","9.099","0.003","9.25","0.003","87.85","0.016","67.112","0.014","69.439","0.014","587.2","0.3","160","2","160","2","","","","","","","","5","P -1","-P 1","2","","","","- C4 H8 F6 Mg O8 -","- C4 H8 F6 Mg O8 -","- C8 H16 F12 Mg2 O16 -","2","1","","Dulani Dhanapala, B.; Mannino, Natalie A.; Mendoza, Laura M.; Tauni Dissanayake, K.; Martin, Philip D.; Suescun, Leopoldo; Rabuffetti, Federico A.","Synthesis of bimetallic trifluoroacetates through a crystallochemical investigation of their monometallic counterparts: the case of (A, A')(CF3COO)2·nH2O (A, A' = Mg, Ca, Sr, Ba, Mn).","Dalton transactions (Cambridge, England : 2003)","2017","46","5","1420","1430","10.1039/c6dt04152c","","","0.71073","MoKα","","0.1512","0.1057","","","0.2782","0.3099","","","","","","1.071","","","","has coordinates","191173","2020-10-21","18:00:00",""
"7041911","13.2595","0.0009","12.7856","0.0009","8.195","0.0007","90","","120.562","0.006","90","","1196.3","0.17","200","2","200","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C2 H4 F3 Mg0.5 O4 -","- C2 H4 F3.003 Mg0.5 O4 -","- C16 H32 F24.024 Mg4 O32 -","8","1","","Dulani Dhanapala, B.; Mannino, Natalie A.; Mendoza, Laura M.; Tauni Dissanayake, K.; Martin, Philip D.; Suescun, Leopoldo; Rabuffetti, Federico A.","Synthesis of bimetallic trifluoroacetates through a crystallochemical investigation of their monometallic counterparts: the case of (A, A')(CF3COO)2·nH2O (A, A' = Mg, Ca, Sr, Ba, Mn).","Dalton transactions (Cambridge, England : 2003)","2017","46","5","1420","1430","10.1039/c6dt04152c","","","0.71073","MoKα","","0.0738","0.0595","","","0.1519","0.1762","","","","","","1.081","","","","has coordinates,has disorder","191173","2020-10-21","18:00:00",""
"7041912","13.243","0.002","12.8685","0.0019","8.1543","0.0013","90","","120.701","0.007","90","","1194.9","0.3","160","2","160","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C4 H8 F6 Mg O8 -","- C4 H8 F6 Mg O8 -","- C16 H32 F24 Mg4 O32 -","4","0.5","","Dulani Dhanapala, B.; Mannino, Natalie A.; Mendoza, Laura M.; Tauni Dissanayake, K.; Martin, Philip D.; Suescun, Leopoldo; Rabuffetti, Federico A.","Synthesis of bimetallic trifluoroacetates through a crystallochemical investigation of their monometallic counterparts: the case of (A, A')(CF3COO)2·nH2O (A, A' = Mg, Ca, Sr, Ba, Mn).","Dalton transactions (Cambridge, England : 2003)","2017","46","5","1420","1430","10.1039/c6dt04152c","","","0.71073","MoKα","","0.1612","0.1095","","","0.2842","0.3177","","","","","","1.074","","","","has coordinates,has disorder","191173","2020-10-21","18:00:00",""
"7041913","20.0755","0.0012","9.1512","0.0008","12.2568","0.0007","90","","90","","90","","2251.8","0.3","298","2","298","2","","","","","","","","6","P b c n","-P 2n 2ab","60","Rubidium manganese borophosphate","Rubidium manganese borophosphate hydrate","","- B16 H6.96 Mn12 O107.02 P24 Rb9.05 -","- B16 H6.96 Mn12 O107.019 P24 Rb9.0508 -","- B16 H6.96 Mn12 O107.019 P24 Rb9.0508 -","1","0.125","","Yakubovich, Olga V.; Shvanskaya, Larisa V.; Kiriukhina, Galina V.; Volkov, Anatoly S.; Dimitrova, Olga V.; Ovchenkov, Evgeny A.; Tsirlin, Alexander A.; Shakin, Alexander A.; Volkova, Olga S.; Vasiliev, Alexander N.","Crystal structure and spin-trimer magnetism of Rb2.3(H2O)0.8Mn3[B4P6O24(O,OH)2].","Dalton transactions (Cambridge, England : 2003)","2017","46","9","2957","2965","10.1039/c6dt04241d","","","0.71073","MoKα","","0.2215","0.0565","","","0.0681","0.0857","","","","","","0.659","","","","has coordinates","193847","2020-10-21","18:00:00",""
"7041914","9.6591","0.0003","15.9975","0.0004","10.4363","0.0003","90","","97.225","0.003","90","","1599.83","0.08","298","2","297.9","0.6","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C35 H42 Cu N4 O4 -","- C35 H42 Cu N4 O4 -","- C70 H84 Cu2 N8 O8 -","2","1","","Gorla, Lingaraju; Martí-Centelles, Vicente; Altava, Belén; Burguete, M. Isabel; Luis, Santiago V.","Cu(2+) recognition by N,N'-benzylated bis(amino amides).","Dalton transactions (Cambridge, England : 2003)","2017","46","8","2660","2669","10.1039/c6dt04756d","","","0.71073","MoKα","","0.0401","0.0361","","","0.0917","0.0954","","","","","","1.036","","","","has coordinates","193783","2020-10-21","18:00:00",""
"7041915","11.0695","0.0003","15.2253","0.0004","16.104","0.0005","90","","90","","90","","2714.11","0.13","199.95","0.1","199.95","0.1","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C27 H40 N4 Ni O3 -","- C27 H40 N4 Ni O3 -","- C108 H160 N16 Ni4 O12 -","4","1","","Gorla, Lingaraju; Martí-Centelles, Vicente; Altava, Belén; Burguete, M. Isabel; Luis, Santiago V.","Cu(2+) recognition by N,N'-benzylated bis(amino amides).","Dalton transactions (Cambridge, England : 2003)","2017","46","8","2660","2669","10.1039/c6dt04756d","","","0.71073","MoKα","","0.0521","0.0392","","","0.0859","0.0947","","","","","","1.062","","","","has coordinates","193783","2020-10-21","18:00:00",""
"7041916","10.35136","0.0001","15.75766","0.00013","19.30342","0.00019","90","","90","","90","","3148.64","0.05","150","2","150","","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C35 H42 N4 Ni O4 -","- C35 H42 N4 Ni O4 -","- C140 H168 N16 Ni4 O16 -","4","1","","Gorla, Lingaraju; Martí-Centelles, Vicente; Altava, Belén; Burguete, M. Isabel; Luis, Santiago V.","Cu(2+) recognition by N,N'-benzylated bis(amino amides).","Dalton transactions (Cambridge, England : 2003)","2017","46","8","2660","2669","10.1039/c6dt04756d","","x-ray","1.54184","CuKα","","0.0459","0.0377","","","0.0972","0.1021","","","","","","0.948","","","","has coordinates","193783","2020-10-21","18:00:00",""
"7041917","14.9282","0.0003","5.14524","0.00008","19.5488","0.0003","90","","98.3145","0.0016","90","","1485.74","0.04","293","2","293","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C35 H40 N4 O2 -","- C35 H40 N4 O2 -","- C70 H80 N8 O4 -","2","1","","Gorla, Lingaraju; Martí-Centelles, Vicente; Altava, Belén; Burguete, M. Isabel; Luis, Santiago V.","Cu(2+) recognition by N,N'-benzylated bis(amino amides).","Dalton transactions (Cambridge, England : 2003)","2017","46","8","2660","2669","10.1039/c6dt04756d","","x-ray","1.54184","CuKα","","0.0568","0.0527","","","0.1409","0.1463","","","","","","1.021","","","","has coordinates,has disorder","193783","2020-10-21","18:00:00",""
"7041918","10.8225","0.0002","15.3302","0.0003","16.2148","0.0003","90","","90","","90","","2690.22","0.09","141","20","141","20","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C27 H40 Cu N4 O3 -","- C27 H40 Cu N4 O3 -","- C108 H160 Cu4 N16 O12 -","4","1","","Gorla, Lingaraju; Martí-Centelles, Vicente; Altava, Belén; Burguete, M. Isabel; Luis, Santiago V.","Cu(2+) recognition by N,N'-benzylated bis(amino amides).","Dalton transactions (Cambridge, England : 2003)","2017","46","8","2660","2669","10.1039/c6dt04756d","","","0.71073","MoKα","","0.0408","0.034","","","0.07","0.0738","","","","","","1.095","","","","has coordinates,has disorder","193783","2020-10-21","18:00:00",""
"7041919","6.5017","0.0006","10.155","0.001","16.3582","0.0016","87.041","0.0009","87.177","0.001","81.427","0.001","1065.61","0.18","296","2","296","2","","","","","","","","5","P -1","-P 1","2","","","","- C34 H52 Co5 N4 O28 -","- C34 H52 Co5 N4 O28 -","- C34 H52 Co5 N4 O28 -","1","0.5","","Cui, Jing-Wang; Hou, Suo-Xia; Van Hecke, Kristof; Cui, Guang-Hua","Rigid versus semi-rigid bis(imidazole) ligands in the assembly of two Co(ii) coordination polymers: structural variability, electrochemical properties and photocatalytic behavior.","Dalton transactions (Cambridge, England : 2003)","2017","46","9","2892","2903","10.1039/c6dt04626f","","","0.71073","MoKα","","0.0352","0.0295","","","0.0855","0.0942","","","","","","1.042","","","","has coordinates","193837","2020-10-21","18:00:00",""
"7041920","10.884","0.004","18.11","0.005","9.606","0.003","90","","112.442","0.008","90","","1750","1","296","2","296","2","","","","","","","","5","C 1 2/m 1","-C 2y","12","","","","- C17 H16 Co N4 O5 -","- C17 H16 Co N4 O5 -","- C68 H64 Co4 N16 O20 -","4","0.5","","Cui, Jing-Wang; Hou, Suo-Xia; Van Hecke, Kristof; Cui, Guang-Hua","Rigid versus semi-rigid bis(imidazole) ligands in the assembly of two Co(ii) coordination polymers: structural variability, electrochemical properties and photocatalytic behavior.","Dalton transactions (Cambridge, England : 2003)","2017","46","9","2892","2903","10.1039/c6dt04626f","","","0.71073","MoKα","","0.0618","0.0542","","","0.144","0.1498","","","","","","1.038","","","","has coordinates,has disorder","193837","2020-10-21","18:00:00",""
"7041921","13.651","0.005","15.423","0.005","16.459","0.006","76.245","0.004","81.548","0.004","87.124","0.004","3329","2","110","","110","","","","","","","","","6","P -1","-P 1","2","","","","- C59 H47 As Cl17 Ni P3 -","- C59 H47 As Cl17 Ni P3 -","- C118 H94 As2 Cl34 Ni2 P6 -","2","1","","Jones, J. Stuart; Wade, Casey R.; Yang, Mengxi; Gabbaï, François P","On the coordination non-innocence of antimony in nickel(ii) complexes of the tetradentate (o-(Ph2P)C6H4)3Sb ligand.","Dalton transactions (Cambridge, England : 2003)","2017","46","17","5598","5604","10.1039/c6dt04817j","","","0.71073","MoKα","","0.0638","0.05","","","0.1279","0.1378","","","","","","1.046","","","","has coordinates","205752","2020-10-21","18:00:00",""
"7041922","10.438","0.002","13.155","0.003","15.671","0.003","102.724","0.014","90.398","0.014","92.371","0.014","2096.9","0.8","110","2","110","2","","","","","","","","4","P -1","-P 1","2","","","","- C54 H42 As P3 -","- C54 H42 As P3 -","- C108 H84 As2 P6 -","2","1","","Jones, J. Stuart; Wade, Casey R.; Yang, Mengxi; Gabbaï, François P","On the coordination non-innocence of antimony in nickel(ii) complexes of the tetradentate (o-(Ph2P)C6H4)3Sb ligand.","Dalton transactions (Cambridge, England : 2003)","2017","46","17","5598","5604","10.1039/c6dt04817j","","","0.71073","MoKα","","0.1084","0.057","","","0.1392","0.1654","","","","","","1.005","","","","has coordinates","196391","2020-10-21","18:00:00",""
"7041923","15.442","0.005","15.443","0.005","22.924","0.008","89.098","0.018","87.977","0.018","60.383","0.014","4749","3","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C111 H87 Cl9 P6 Sb2 -","- C111 H87 Cl9 P6 Sb2 -","- C222 H174 Cl18 P12 Sb4 -","2","1","","Jones, J. Stuart; Wade, Casey R.; Yang, Mengxi; Gabbaï, François P","On the coordination non-innocence of antimony in nickel(ii) complexes of the tetradentate (o-(Ph2P)C6H4)3Sb ligand.","Dalton transactions (Cambridge, England : 2003)","2017","46","17","5598","5604","10.1039/c6dt04817j","","","0.71073","MoKα","","0.0839","0.0713","","","0.2193","0.2377","","","","","","1.058","","","","has coordinates,has disorder","196391","2020-10-21","18:00:00",""
"7041924","49.945","0.004","9.67","0.0009","34.967","0.003","90","","129.231","0.004","90","","13081","2","173","2","173.15","","","","","","","","","7","C 1 2/c 1","-C 2yc","15","","","","- C159 H130 B2 Cl8 Ni2 P6 Sb2 -","- C159 H130 B2 Cl8 Ni2 P6 Sb2 -","- C636 H520 B8 Cl32 Ni8 P24 Sb8 -","4","0.5","","Jones, J. Stuart; Wade, Casey R.; Yang, Mengxi; Gabbaï, François P","On the coordination non-innocence of antimony in nickel(ii) complexes of the tetradentate (o-(Ph2P)C6H4)3Sb ligand.","Dalton transactions (Cambridge, England : 2003)","2017","46","17","5598","5604","10.1039/c6dt04817j","","","0.71073","MoKα","","0.0848","0.062","","","0.1266","0.1353","","","","","","1.158","","","","has coordinates,has disorder","196391","2020-10-21","18:00:00",""
"7041925","16.6557","0.0013","21.835","0.0018","33.334","0.003","90","","95.711","0.004","90","","12062.6","1.7","110","","110","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C56 H44 Cl8 Ni P4 -","- C56 H44 Cl8 Ni P4 -","- C448 H352 Cl64 Ni8 P32 -","8","2","","Jones, J. Stuart; Wade, Casey R.; Yang, Mengxi; Gabbaï, François P","On the coordination non-innocence of antimony in nickel(ii) complexes of the tetradentate (o-(Ph2P)C6H4)3Sb ligand.","Dalton transactions (Cambridge, England : 2003)","2017","46","17","5598","5604","10.1039/c6dt04817j","","","0.71073","MoKα","","0.0743","0.0597","","","0.1344","0.1414","","","","","","1.076","","","","has coordinates","196391","2020-10-21","18:00:00",""
"7041926","6.2801","0.0004","12.0904","0.0008","13.3168","0.0008","114.646","0.006","103.516","0.005","93.852","0.005","877.92","0.11","120","","120","","","","","","","","","4","P -1","-P 1","2","","","","- C22 H18 N4 O2 -","- C22 H18 N4 O2 -","- C44 H36 N8 O4 -","2","1","","Tatikonda, Rajendhraprasad; Bertula, Kia; Nonappa, ?; Hietala, Sami; Rissanen, Kari; Haukka, Matti","Bipyridine based metallogels: an unprecedented difference in photochemical and chemical reduction in the in situ nanoparticle formation.","Dalton transactions (Cambridge, England : 2003)","2017","46","9","2793","2802","10.1039/c6dt04253h","","x-ray","0.71073","MoKα","","0.0487","0.0398","","","0.0934","0.0985","","","","","","1.048","","","","has coordinates","193853","2020-10-21","18:00:00",""
"7041927","3.845","0.00007","20.0524","0.0004","11.01623","0.00019","90","","93.6073","0.0016","90","","847.68","0.03","120.01","0.1","120.01","0.1","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C22 H18 N4 O2 -","- C22 H18 N4 O2 -","- C44 H36 N8 O4 -","2","0.5","","Tatikonda, Rajendhraprasad; Bertula, Kia; Nonappa, ?; Hietala, Sami; Rissanen, Kari; Haukka, Matti","Bipyridine based metallogels: an unprecedented difference in photochemical and chemical reduction in the in situ nanoparticle formation.","Dalton transactions (Cambridge, England : 2003)","2017","46","9","2793","2802","10.1039/c6dt04253h","","","1.54184","CuKα","","0.0363","0.0342","","","0.0886","0.0906","","","","","","1.069","","","","has coordinates","193853","2020-10-21","18:00:00",""
"7041928","3.8257","0.0002","9.9197","0.0007","11.9058","0.0005","77.653","0.005","89.013","0.004","80.097","0.006","434.71","0.04","120","","120","","","","","","","","","4","P -1","-P 1","2","","","","- C22 H18 N4 O2 -","- C22 H18 N4 O2 -","- C22 H18 N4 O2 -","1","0.5","","Tatikonda, Rajendhraprasad; Bertula, Kia; Nonappa, ?; Hietala, Sami; Rissanen, Kari; Haukka, Matti","Bipyridine based metallogels: an unprecedented difference in photochemical and chemical reduction in the in situ nanoparticle formation.","Dalton transactions (Cambridge, England : 2003)","2017","46","9","2793","2802","10.1039/c6dt04253h","","","0.71073","MoKα","","0.04","0.0353","","","0.0929","0.0959","","","","","","1.057","","","","has coordinates","193853","2020-10-21","18:00:00",""
"7041929","9.6575","0.0003","12.1006","0.0004","15.5767","0.0005","108.837","0.002","92.772","0.002","94.376","0.002","1712.65","0.1","296","2","296","2","","","","","","","","4","P -1","-P 1","2","","","","- C38 H37 N3 O4 -","- C38 H37 N3 O4 -","- C76 H74 N6 O8 -","2","1","","Kumari, Chanda; Sain, Dibyendu; Kumar, Ashish; Debnath, Sushanta; Saha, Partha; Dey, Swapan","Intracellular detection of hazardous Cd(2+) through a fluorescence imaging technique by using a nontoxic coumarin based sensor.","Dalton transactions (Cambridge, England : 2003)","2017","46","8","2524","2531","10.1039/c6dt04833a","","","0.71073","MoKα","","0.104","0.065","","","0.1848","0.2055","","","","","","1.097","","","","has coordinates","193777","2020-10-21","18:00:00",""
"7041930","11.7537","0.0006","21.3005","0.0011","7.0776","0.0004","90","","91.253","0.003","90","","1771.52","0.16","200","2","200","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C30 H46 N12 O8 -","- C30 H46 N12 O8 -","- C60 H92 N24 O16 -","2","0.5","","Lacelle, T.; Brunet, G.; Pialat, A.; Holmberg, R. J.; Lan, Y.; Gabidullin, B.; Korobkov, I.; Wernsdorfer, W.; Murugesu, M.","Single-molecule magnet behaviour in a tetranuclear Dy(III) complex formed from a novel tetrazine-centered hydrazone Schiff base ligand.","Dalton transactions (Cambridge, England : 2003)","2017","46","8","2471","2478","10.1039/c6dt04413a","","","0.71073","MoKα","","0.1736","0.0706","","","0.1132","0.1373","","","","","","1.008","","","","has coordinates","193787","2020-10-21","18:00:00",""
"7041931","11.9318","0.0003","15.1642","0.0004","18.9347","0.0006","104.855","0.002","101.124","0.002","107.478","0.002","3020.17","0.16","200","2","200","2","","","","","","","","5","P -1","-P 1","2","","","","- C88.19 H130.58 Gd4 N36 O45.1 -","- C88.188 H130.576 Gd4 N36 O45.1 -","- C88.188 H130.576 Gd4 N36 O45.1 -","1","0.5","","Lacelle, T.; Brunet, G.; Pialat, A.; Holmberg, R. J.; Lan, Y.; Gabidullin, B.; Korobkov, I.; Wernsdorfer, W.; Murugesu, M.","Single-molecule magnet behaviour in a tetranuclear Dy(III) complex formed from a novel tetrazine-centered hydrazone Schiff base ligand.","Dalton transactions (Cambridge, England : 2003)","2017","46","8","2471","2478","10.1039/c6dt04413a","","","0.71073","MoKα","","0.0881","0.0507","","","0.1123","0.1303","","","","","","1.015","","","","has coordinates,has disorder","193787","2020-10-21","18:00:00",""
"7041932","11.8906","0.0004","15.1106","0.0005","18.9649","0.0006","104.4","0.001","100.958","0.002","107.614","0.001","3012.97","0.18","200","2","200","2","","","","","","","","5","P -1","-P 1","2","","","","- C88.07 H129.59 Dy4 N36 O44.72 -","- C88.072 H129.588 Dy4 N36 O44.718 -","- C88.072 H129.588 Dy4 N36 O44.718 -","1","0.5","","Lacelle, T.; Brunet, G.; Pialat, A.; Holmberg, R. J.; Lan, Y.; Gabidullin, B.; Korobkov, I.; Wernsdorfer, W.; Murugesu, M.","Single-molecule magnet behaviour in a tetranuclear Dy(III) complex formed from a novel tetrazine-centered hydrazone Schiff base ligand.","Dalton transactions (Cambridge, England : 2003)","2017","46","8","2471","2478","10.1039/c6dt04413a","","","0.71073","MoKα","","0.0702","0.0466","","","0.1151","0.1365","","","","","","1.063","","","","has coordinates,has disorder","193787","2020-10-21","18:00:00",""
"7041933","9.7178","0.0002","11.5025","0.0002","12.6599","0.0003","102.798","0.0018","102.878","0.0019","93.4883","0.0018","1336.17","0.05","170","2","170","2","","","","","","","","5","P -1","-P 1","2","","","","- C31 H36 O P Rh -","- C31 H36 O P Rh -","- C62 H72 O2 P2 Rh2 -","2","1","","Hlina, J. A.; Wells, J. A. L.; Pankhurst, J. R.; Love, Jason B.; Arnold, P. L.","Uranium rhodium bonding in heterometallic complexes.","Dalton transactions (Cambridge, England : 2003)","2017","46","17","5540","5545","10.1039/c6dt04570g","","x-ray","0.71073","MoKα","","0.0279","0.0246","","","0.0615","0.063","","","","","","1.022","","","","has coordinates,has disorder","196400","2020-10-21","18:00:00",""
"7041934","12.3192","0.0003","13.5642","0.0003","26.1759","0.0005","98.8295","0.0017","97.814","0.0017","97.561","0.0017","4229.79","0.17","170","2","170","2","","","","","","","","7","P -1","-P 1","2","","","","- C69 H72 I2 O3 P3 Rh U -","- C69 H72 I2 O3 P3 Rh U -","- C138 H144 I4 O6 P6 Rh2 U2 -","2","1","","Hlina, J. A.; Wells, J. A. L.; Pankhurst, J. R.; Love, Jason B.; Arnold, P. L.","Uranium rhodium bonding in heterometallic complexes.","Dalton transactions (Cambridge, England : 2003)","2017","46","17","5540","5545","10.1039/c6dt04570g","","x-ray","0.71073","MoKα","","0.0715","0.0442","","","0.0859","0.0929","","","","","","1.013","","","","has coordinates","196400","2020-10-21","18:00:00",""
"7041935","17.06093","0.00018","15.91912","0.00019","19.8049","0.0002","90","","97.6036","0.001","90","","5331.62","0.1","170","","170","","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C92 H96 I6 O4 P4 Rh2 U2 -","- C92 H96 I6 O4 P4 Rh2 U2 -","- C184 H192 I12 O8 P8 Rh4 U4 -","2","0.5","","Hlina, J. A.; Wells, J. A. L.; Pankhurst, J. R.; Love, Jason B.; Arnold, P. L.","Uranium rhodium bonding in heterometallic complexes.","Dalton transactions (Cambridge, England : 2003)","2017","46","17","5540","5545","10.1039/c6dt04570g","","x-ray","0.71073","MoKα","","0.0296","0.0227","","","0.0501","0.0528","","","","","","1.046","","","","has coordinates","196400","2020-10-21","18:00:00",""
"7041936","12.0895","0.0005","13.3126","0.0005","14.0794","0.0006","82.118","0.003","73.055","0.004","85.369","0.003","2145.13","0.16","173","2","173","2","","","","","","","","6","P -1","-P 1","2","","","","- C42 H72 N4 O4 Ti Zn -","- C42 H72 N4 O4 Ti Zn -","- C84 H144 N8 O8 Ti2 Zn2 -","2","1","","Garden, Jennifer A.; White, Andrew J. P.; Williams, Charlotte K.","Heterodinuclear titanium/zinc catalysis: synthesis, characterization and activity for CO2/epoxide copolymerization and cyclic ester polymerization.","Dalton transactions (Cambridge, England : 2003)","2017","46","8","2532","2541","10.1039/c6dt04193k","","","0.71073","MoKα","","0.0678","0.0466","","","0.0994","0.1099","","","","","","1.021","","","","has coordinates,has disorder","193772","2020-10-21","18:00:00",""
"7041937","15.53237","0.00014","19.46458","0.00016","17.75532","0.00016","90","","102.006","0.0009","90","","5250.56","0.08","173","2","173","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C52 H86 N4 O4 Ti Zn -","- C52 H86 N4 O4 Ti Zn -","- C208 H344 N16 O16 Ti4 Zn4 -","4","1","","Garden, Jennifer A.; White, Andrew J. P.; Williams, Charlotte K.","Heterodinuclear titanium/zinc catalysis: synthesis, characterization and activity for CO2/epoxide copolymerization and cyclic ester polymerization.","Dalton transactions (Cambridge, England : 2003)","2017","46","8","2532","2541","10.1039/c6dt04193k","","","1.54184","CuKα","","0.0484","0.0374","","","0.0933","0.1024","","","","","","1.026","","","","has coordinates,has disorder","193772","2020-10-21","18:00:00",""
"7041938","9.1082","0.0002","9.9385","0.0002","10.4292","0.0002","64.181","0.001","84.863","0.001","88.364","0.002","846.36","0.03","133","2","133","2","","","","","","","","6","P -1","-P 1","2","","","","- C10 H10 Fe2 O6 Se2 Sn -","- C10 H10 Fe2 O6 Se2 Sn -","- C20 H20 Fe4 O12 Se4 Sn2 -","2","1","","Abul-Futouh, Hassan; El-Khateeb, Mohammad; Görls, Helmar; Asali, Khalil Jamil; Weigand, Wolfgang","Selenium makes the difference: protonation of [FeFe]-hydrogenase mimics with diselenolato ligands.","Dalton transactions (Cambridge, England : 2003)","2017","46","9","2937","2947","10.1039/c7dt00057j","","","0.71073","MoKα","","0.0196","0.0186","","","0.0427","0.0433","","","","","","1.096","","","","has coordinates","193836","2020-10-21","18:00:00",""
"7041939","7.589","0.0002","11.1312","0.0002","19.3376","0.0004","90","","100.731","0.001","90","","1604.97","0.06","133","2","133","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C9 H8 Fe2 O6 Se2 Sn -","- C9 H8 Fe2 O6 Se2 Sn -","- C36 H32 Fe8 O24 Se8 Sn4 -","4","1","","Abul-Futouh, Hassan; El-Khateeb, Mohammad; Görls, Helmar; Asali, Khalil Jamil; Weigand, Wolfgang","Selenium makes the difference: protonation of [FeFe]-hydrogenase mimics with diselenolato ligands.","Dalton transactions (Cambridge, England : 2003)","2017","46","9","2937","2947","10.1039/c7dt00057j","","","0.71073","MoKα","","0.024","0.0211","","","0.0462","0.048","","","","","","1.11","","","","has coordinates","193836","2020-10-21","18:00:00",""
"7041940","9.9958","0.0004","12.3264","0.0005","14.0179","0.0006","67.9707","0.0016","89.4411","0.0015","87.1956","0.0013","1599.09","0.12","100","2","100","2","","","","","","","","6","P -1","-P 1","2","","","","- C26 H38 Cl4 Cu N2 O9 -","- C26 H38 Cl4 Cu N2 O9 -","- C52 H76 Cl8 Cu2 N4 O18 -","2","1","","Yagishita, Sadahiro; Himegi, Akiko; Kanazashi, Ken; Ohishi, Tomomi; Ishikawa, Ryuta; Hamaguchi, Tomohiko; Kawata, Satoshi","Structural transformations of layered structures constructed from Cu(ii)-chloranilate monomer compounds.","Dalton transactions (Cambridge, England : 2003)","2017","46","9","2966","2973","10.1039/c6dt04867f","","","0.71075","MoKα","","0.0357","0.031","","","0.0843","0.0897","","","","","","1.096","","","","has coordinates,has disorder","193848","2020-10-21","18:00:00",""
"7041941","9.8642","0.0019","16.051","0.003","11.379","0.002","90","","91.283","0.005","90","","1801.2","0.6","293","2","293","2","","","","","","","","6","C 1 2/m 1","-C 2y","12","","","","- C28 H44 Cl4 Cu N2 O10 -","- C28 H44 Cl4 Cu N2 O10 -","- C56 H88 Cl8 Cu2 N4 O20 -","2","0.25","","Yagishita, Sadahiro; Himegi, Akiko; Kanazashi, Ken; Ohishi, Tomomi; Ishikawa, Ryuta; Hamaguchi, Tomohiko; Kawata, Satoshi","Structural transformations of layered structures constructed from Cu(ii)-chloranilate monomer compounds.","Dalton transactions (Cambridge, England : 2003)","2017","46","9","2966","2973","10.1039/c6dt04867f","","","0.71075","MoKα","","0.1271","0.075","","","0.2032","0.2428","","","","","","1.076","","","","has coordinates,has disorder","193848","2020-10-21","18:00:00",""
"7041942","9.9963","0.0003","12.4259","0.0004","14.1763","0.0005","68.731","0.0014","88.934","0.0012","86.718","0.001","1638.25","0.09","250","2","250","2","","","","","","","","6","P -1","-P 1","2","","","","- C26 H38 Cl4 Cu N2 O9 -","- C26 H38 Cl4 Cu N2 O9 -","- C52 H76 Cl8 Cu2 N4 O18 -","2","1","","Yagishita, Sadahiro; Himegi, Akiko; Kanazashi, Ken; Ohishi, Tomomi; Ishikawa, Ryuta; Hamaguchi, Tomohiko; Kawata, Satoshi","Structural transformations of layered structures constructed from Cu(ii)-chloranilate monomer compounds.","Dalton transactions (Cambridge, England : 2003)","2017","46","9","2966","2973","10.1039/c6dt04867f","","","0.71075","MoKα","","0.0486","0.039","","","0.1185","0.128","","","","","","1.082","","","","has coordinates,has disorder","193848","2020-10-21","18:00:00",""
"7041943","9.816","0.0016","16.032","0.003","11.2106","0.0017","90","","91.082","0.004","90","","1763.9","0.5","203","2","203","2","","","","","","","","6","C 1 2/m 1","-C 2y","12","","","","- C28 H44 Cl4 Cu N2 O10 -","- C28 H44 Cl4 Cu N2 O10 -","- C56 H88 Cl8 Cu2 N4 O20 -","2","0.25","","Yagishita, Sadahiro; Himegi, Akiko; Kanazashi, Ken; Ohishi, Tomomi; Ishikawa, Ryuta; Hamaguchi, Tomohiko; Kawata, Satoshi","Structural transformations of layered structures constructed from Cu(ii)-chloranilate monomer compounds.","Dalton transactions (Cambridge, England : 2003)","2017","46","9","2966","2973","10.1039/c6dt04867f","","","0.71075","MoKα","","0.1002","0.0615","","","0.1337","0.1513","","","","","","1.107","","","","has coordinates,has disorder","193848","2020-10-21","18:00:00",""
"7041944","9.7962","0.0004","16.0447","0.0008","11.0491","0.0005","90","","90.9641","0.0014","90","","1736.42","0.14","100","2","100","2","","","","","","","","6","C 1 2/m 1","-C 2y","12","","","","- C28 H44 Cl4 Cu N2 O10 -","- C28 H44 Cl4 Cu N2 O10 -","- C56 H88 Cl8 Cu2 N4 O20 -","2","0.25","","Yagishita, Sadahiro; Himegi, Akiko; Kanazashi, Ken; Ohishi, Tomomi; Ishikawa, Ryuta; Hamaguchi, Tomohiko; Kawata, Satoshi","Structural transformations of layered structures constructed from Cu(ii)-chloranilate monomer compounds.","Dalton transactions (Cambridge, England : 2003)","2017","46","9","2966","2973","10.1039/c6dt04867f","","","0.71075","MoKα","","0.0866","0.0579","","","0.1506","0.1705","","","","","","1.038","","","","has coordinates,has disorder","193848","2020-10-21","18:00:00",""
"7041945","10.064","0.005","12.559","0.006","14.362","0.007","69.311","0.008","88.594","0.007","86.781","0.007","1695.5","1.4","295","2","295","2","","","","","","","","6","P -1","-P 1","2","","","","- C26 H38 Cl4 Cu N2 O9 -","- C26 H38 Cl4 Cu N2 O9 -","- C52 H76 Cl8 Cu2 N4 O18 -","2","1","","Yagishita, Sadahiro; Himegi, Akiko; Kanazashi, Ken; Ohishi, Tomomi; Ishikawa, Ryuta; Hamaguchi, Tomohiko; Kawata, Satoshi","Structural transformations of layered structures constructed from Cu(ii)-chloranilate monomer compounds.","Dalton transactions (Cambridge, England : 2003)","2017","46","9","2966","2973","10.1039/c6dt04867f","","","0.71075","MoKα","","0.0844","0.0559","","","0.1495","0.1714","","","","","","1.044","","","","has coordinates,has disorder","193848","2020-10-21","18:00:00",""
"7041946","9.9903","0.0003","12.3925","0.0003","14.1213","0.0003","68.4083","0.0007","89.2403","0.0009","86.7971","0.0011","1623.02","0.07","200","2","200","2","","","","","","","","6","P -1","-P 1","2","","","","- C26 H38 Cl4 Cu N2 O9 -","- C26 H38 Cl4 Cu N2 O9 -","- C52 H76 Cl8 Cu2 N4 O18 -","2","1","","Yagishita, Sadahiro; Himegi, Akiko; Kanazashi, Ken; Ohishi, Tomomi; Ishikawa, Ryuta; Hamaguchi, Tomohiko; Kawata, Satoshi","Structural transformations of layered structures constructed from Cu(ii)-chloranilate monomer compounds.","Dalton transactions (Cambridge, England : 2003)","2017","46","9","2966","2973","10.1039/c6dt04867f","","","0.71075","MoKα","","0.0407","0.0343","","","0.0914","0.098","","","","","","1.08","","","","has coordinates,has disorder","193848","2020-10-21","18:00:00",""
"7041947","11.1149","0.0003","11.9728","0.0005","13.9147","0.0005","99.814","0.003","96.688","0.003","104.417","0.003","1742.49","0.11","294","2","294","2","","","","","","","synthetic","8","P -1","-P 1","2","","Bis(1-(4-(4-methoxyphenyl)-1,3-selenazol-2-yl)-2- (pyridin-2-ylmethylene)hydrazin-1-ide-cobalt(III) tetrafluoridoborate hydrate","","- C32 H26 B Co F4 N8 O3 Se2 -","- C32 H26 B Co F4 N8 O3 Se2 -","- C64 H52 B2 Co2 F8 N16 O6 Se4 -","2","1","","Filipović, Nenad R; Elshaflu, Hana; Grubišić, Sonja; Jovanović, Ljiljana S; Rodić, Marko; Novaković, Irena; Malešević, Aleksandar; Djordjević, Ivana S; Li, Haidong; Šojić, Nešo; Marinković, Aleksandar; Todorović, Tamara R","Co(iii) complexes of (1,3-selenazol-2-yl)hydrazones and their sulphur analogues.","Dalton transactions (Cambridge, England : 2003)","2017","46","9","2910","2924","10.1039/c6dt04785h","","x-ray","0.71073","MoKα","","0.0658","0.0446","","","0.1077","0.1191","","","","","","1.025","","","","has coordinates,has disorder","193843","2020-10-21","18:00:00",""
"7041948","19.7293","0.0005","19.7293","0.0005","30.589","0.0017","90","","90","","90","","11906.6","0.8","294","2","294","2","","","","","","","synthetic","7","I 41/a :2","-I 4ad","88","","Bis(1-(4-phenyl-1,3-selenazol-2-yl)-2-(pyridin-2-ylmethylene)hydrazin-1-ide- Cobalt(III) tetrafluoridoborate","","- C30 H22 B Co F4 N8 Se2 -","- C30 H22 B Co F4 N8 Se2 -","- C480 H352 B16 Co16 F64 N128 Se32 -","16","1","","Filipović, Nenad R; Elshaflu, Hana; Grubišić, Sonja; Jovanović, Ljiljana S; Rodić, Marko; Novaković, Irena; Malešević, Aleksandar; Djordjević, Ivana S; Li, Haidong; Šojić, Nešo; Marinković, Aleksandar; Todorović, Tamara R","Co(iii) complexes of (1,3-selenazol-2-yl)hydrazones and their sulphur analogues.","Dalton transactions (Cambridge, England : 2003)","2017","46","9","2910","2924","10.1039/c6dt04785h","","x-ray","0.71073","MoKα","","0.1271","0.0557","","","0.0906","0.114","","","","","","1.008","","","","has coordinates","193843","2020-10-21","18:00:00",""
"7041949","9.213","0.0002","9.213","0.0002","33.5153","0.0007","90","","90","","120","","2463.63","0.09","293","2","293","2","","","","","","","synthetic","8","P 31 2 1","P 31 2""","152","","Bis(1-(4-(4-methoxyphenyl)thiazol-2-yl)-2-(pyridin-2-ylmethylene)hydrazin- 1-ide-cobalt(III) tetrafluoridoborate","","- C32 H26 B Co F4 N8 O2 S2 -","- C32 H26 B Co F4 N8 O2 S2 -","- C96 H78 B3 Co3 F12 N24 O6 S6 -","3","0.5","","Filipović, Nenad R; Elshaflu, Hana; Grubišić, Sonja; Jovanović, Ljiljana S; Rodić, Marko; Novaković, Irena; Malešević, Aleksandar; Djordjević, Ivana S; Li, Haidong; Šojić, Nešo; Marinković, Aleksandar; Todorović, Tamara R","Co(iii) complexes of (1,3-selenazol-2-yl)hydrazones and their sulphur analogues.","Dalton transactions (Cambridge, England : 2003)","2017","46","9","2910","2924","10.1039/c6dt04785h","","x-ray","0.71073","MoKα","","0.0565","0.0543","","","0.1499","0.1519","","","","","","1.078","","","","has coordinates","193843","2020-10-21","18:00:00",""
"7041950","19.716","0.0003","19.716","0.0003","30.3333","0.0006","90","","90","","90","","11791.2","0.3","294","2","294","2","","","","","","","synthetic","7","I 41/a :2","-I 4ad","88","","Bis(1-(4-phenylthiazol-2-yl)-2-(pyridin-2-ylmethylene)hydrazin-1-ide)- Cobalt(III) tetrafluoridoborate","","- C30 H22 B Co F4 N8 S2 -","- C30 H22 B Co F4 N8 S2 -","- C480 H352 B16 Co16 F64 N128 S32 -","16","1","","Filipović, Nenad R; Elshaflu, Hana; Grubišić, Sonja; Jovanović, Ljiljana S; Rodić, Marko; Novaković, Irena; Malešević, Aleksandar; Djordjević, Ivana S; Li, Haidong; Šojić, Nešo; Marinković, Aleksandar; Todorović, Tamara R","Co(iii) complexes of (1,3-selenazol-2-yl)hydrazones and their sulphur analogues.","Dalton transactions (Cambridge, England : 2003)","2017","46","9","2910","2924","10.1039/c6dt04785h","","x-ray","0.71073","MoKα","","0.0843","0.05","","","0.117","0.1327","","","","","","1.022","","","","has coordinates","193843","2020-10-21","18:00:00",""
"7041951","9.8772","0.0002","15.1645","0.0004","22.6936","0.0004","90","","90","","90","","3399.11","0.13","294","2","294","2","","","","","","","","7","P 21 21 21","P 2ac 2ab","19","","Bis(2-(pyridin-2-ylmethylene)-1-(4-(p-tolyl)-1,3-selenazol-2-yl)hydrazin-1- ide-cobalt(III) tetrafluoridoborate","","- C32 H26 B Co F4 N8 Se2 -","- C32 H26 B Co F4 N8 Se2 -","- C128 H104 B4 Co4 F16 N32 Se8 -","4","1","","Filipović, Nenad R; Elshaflu, Hana; Grubišić, Sonja; Jovanović, Ljiljana S; Rodić, Marko; Novaković, Irena; Malešević, Aleksandar; Djordjević, Ivana S; Li, Haidong; Šojić, Nešo; Marinković, Aleksandar; Todorović, Tamara R","Co(iii) complexes of (1,3-selenazol-2-yl)hydrazones and their sulphur analogues.","Dalton transactions (Cambridge, England : 2003)","2017","46","9","2910","2924","10.1039/c6dt04785h","","x-ray","0.71073","MoKα","","0.0587","0.0379","","","0.0872","0.0956","","","","","","1.039","","","","has coordinates","193843","2020-10-21","18:00:00",""
"7041952","14.368","0.002","20.759","0.002","12.3557","0.0009","90","","90","","90","","3685.3","0.7","170","2","170","2","","","","","","","","4","P n a 21","P 2c -2n","33","","","","- C39 H51 N8 O3 -","- C39 H51 N8 O3 -","- C156 H204 N32 O12 -","4","1","","Möller, F; Castañeda-Losada, L; Junqueira, J. R. C.; Miller, R. G.; Reback, M. L.; Mallick, B.; van Gastel, M.; Apfel, U.-P.","Modulation of the CO2 fixation in dinickel azacryptands.","Dalton transactions (Cambridge, England : 2003)","2017","46","17","5680","5688","10.1039/c6dt04527h","","","0.71073","MoKα","","0.1097","0.0629","","","0.162","0.1853","","","","","","0.873","","","","has coordinates,has disorder","196406","2020-10-21","18:00:00",""
"7041953","10.1796","0.001","15.2919","0.0014","21.793","0.002","101.454","0.008","103.465","0.009","102.672","0.008","3105.4","0.6","170","2","170","2","","","","","","","","7","P -1","-P 1","2","","","","- C38 H61 Cl4 N12 Ni2 O18 S3 -","- C38 H61 Cl3 N12 Ni2 O14 S3 -","- C76 H122 Cl6 N24 Ni4 O28 S6 -","2","1","","Möller, F; Castañeda-Losada, L; Junqueira, J. R. C.; Miller, R. G.; Reback, M. L.; Mallick, B.; van Gastel, M.; Apfel, U.-P.","Modulation of the CO2 fixation in dinickel azacryptands.","Dalton transactions (Cambridge, England : 2003)","2017","46","17","5680","5688","10.1039/c6dt04527h","","","0.71073","MoKα","","0.1619","0.1246","","","0.3355","0.3818","","","","","","1.093","","","","has coordinates,has disorder","196406","2020-10-21","18:00:00",""
"7041954","15.888","0.003","13.4639","0.0018","16.442","0.003","90","","102.98","0.02","90","","3427.3","1","170","2","170","2","","","","","","","","4","C 1 c 1","C -2yc","9","","","","- C36 H39 F3 N8 -","- C36 H39 F3 N8 -","- C144 H156 F12 N32 -","4","1","","Möller, F; Castañeda-Losada, L; Junqueira, J. R. C.; Miller, R. G.; Reback, M. L.; Mallick, B.; van Gastel, M.; Apfel, U.-P.","Modulation of the CO2 fixation in dinickel azacryptands.","Dalton transactions (Cambridge, England : 2003)","2017","46","17","5680","5688","10.1039/c6dt04527h","","","0.7107","MoKα","","0.207","0.0793","","","0.2261","0.257","","","","","","0.782","","","","has coordinates","196406","2020-10-21","18:00:00",""
"7041955","31.9793","0.0009","10.8558","0.0003","11.0677","0.0004","90","","90","","90","","3842.3","0.2","110","2","110.15","","","","","","","","","6","C m c 21","C 2c -2","36","","","","- C10 H24 Cl2 N6 Ni O8 -","- C10 H24 Cl2 N6 Ni O8 -","- C80 H192 Cl16 N48 Ni8 O64 -","8","1","","Möller, F; Castañeda-Losada, L; Junqueira, J. R. C.; Miller, R. G.; Reback, M. L.; Mallick, B.; van Gastel, M.; Apfel, U.-P.","Modulation of the CO2 fixation in dinickel azacryptands.","Dalton transactions (Cambridge, England : 2003)","2017","46","17","5680","5688","10.1039/c6dt04527h","","","1.54184","CuKα","","0.051","0.0493","","","0.1364","0.1381","","","","","","1.184","","","","has coordinates","196406","2020-10-21","18:00:00",""
"7041956","14.4185","0.0018","20.046","0.003","12.574","0.002","90","","90","","90","","3634.3","0.9","170","2","170","2","","","","","","","","3","P n a 21","P 2c -2n","33","","","","- C39 H48 N8 -","- C39 H48 N8 -","- C156 H192 N32 -","4","1","","Möller, F; Castañeda-Losada, L; Junqueira, J. R. C.; Miller, R. G.; Reback, M. L.; Mallick, B.; van Gastel, M.; Apfel, U.-P.","Modulation of the CO2 fixation in dinickel azacryptands.","Dalton transactions (Cambridge, England : 2003)","2017","46","17","5680","5688","10.1039/c6dt04527h","","","0.71073","MoKα","","0.3006","0.0595","","","0.1318","0.1933","","","","","","0.54","","","","has coordinates,has disorder","196406","2020-10-21","18:00:00",""
"7041957","11.1345","0.0002","14.5818","0.0003","18.3859","0.0004","107.412","0.002","101.17","0.002","102.173","0.002","2676.7","0.11","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","","","- C40 H75 Cl6 N10 O15 -","- C40 H75 Cl6 N10 O15 -","- C80 H150 Cl12 N20 O30 -","2","1","","Möller, F; Castañeda-Losada, L; Junqueira, J. R. C.; Miller, R. G.; Reback, M. L.; Mallick, B.; van Gastel, M.; Apfel, U.-P.","Modulation of the CO2 fixation in dinickel azacryptands.","Dalton transactions (Cambridge, England : 2003)","2017","46","17","5680","5688","10.1039/c6dt04527h","","","1.54184","CuKα","","0.0616","0.0571","","","0.1496","0.1532","","","","","","1.062","","","","has coordinates,has disorder","196406","2020-10-21","18:00:00",""
"7041958","13.2094","0.001","14.0369","0.0006","25.4984","0.0019","90","","92.086","0.009","90","","4724.8","0.5","170","2","170","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C43 H63 Cl2 N10 Ni2 O11 -","- C43 H63 Cl2 N10 Ni2 O11 -","- C172 H252 Cl8 N40 Ni8 O44 -","4","1","","Möller, F; Castañeda-Losada, L; Junqueira, J. R. C.; Miller, R. G.; Reback, M. L.; Mallick, B.; van Gastel, M.; Apfel, U.-P.","Modulation of the CO2 fixation in dinickel azacryptands.","Dalton transactions (Cambridge, England : 2003)","2017","46","17","5680","5688","10.1039/c6dt04527h","","","0.71073","MoKα","","0.0884","0.0713","","","0.1941","0.2061","","","","","","1.091","","","","has coordinates,has disorder","196406","2020-10-21","18:00:00",""
"7041959","67.725","0.003","12.0716","0.0007","29.6586","0.0015","90","","90.888","0.005","90","","24244","2","100","2","100","2","","","","","","","","7","C 1 2/c 1","-C 2yc","15","","","","- C93.36 H147.08 Cl6 F6 N29 Ni4 O28.68 -","- C93.36 H147.08 Cl6 F6 N29 Ni4 O28.68 -","- C746.88 H1176.64 Cl48 F48 N232 Ni32 O229.44 -","8","1","","Möller, F; Castañeda-Losada, L; Junqueira, J. R. C.; Miller, R. G.; Reback, M. L.; Mallick, B.; van Gastel, M.; Apfel, U.-P.","Modulation of the CO2 fixation in dinickel azacryptands.","Dalton transactions (Cambridge, England : 2003)","2017","46","17","5680","5688","10.1039/c6dt04527h","","","1.54184","CuKα","","0.2438","0.1332","","","0.3473","0.4318","","","","","","1.049","","","","has coordinates","196406","2020-10-21","18:00:00",""
"7041960","16.679","0.003","19.9817","0.0018","14.9744","0.0015","90","","120.298","0.01","90","","4308.9","1.1","170","2","170","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C35 H62 Cl2 N12 O3 -","- C33 H57 Cl2 N11 O2 -","- C132 H228 Cl8 N44 O8 -","4","0.5","","Möller, F; Castañeda-Losada, L; Junqueira, J. R. C.; Miller, R. G.; Reback, M. L.; Mallick, B.; van Gastel, M.; Apfel, U.-P.","Modulation of the CO2 fixation in dinickel azacryptands.","Dalton transactions (Cambridge, England : 2003)","2017","46","17","5680","5688","10.1039/c6dt04527h","","","0.71073","MoKα","","0.1431","0.0851","","","0.2644","0.2859","","","","","","1.077","","","","has coordinates","196406","2020-10-21","18:00:00",""
"7041961","10.4231","0.0014","13.967","0.0018","14.2811","0.0019","102.486","0.002","106.621","0.002","102.174","0.002","1860.6","0.4","93","","93","","","","","","","","","7","P -1","-P 1","2","","Mn(salen)(C6)(PF6)","","- C37 H38 F6 Mn2 N4 O7 P -","- C37 H38 F6 Mn2 N4 O7 P -","- C74 H76 F12 Mn4 N8 O14 P2 -","2","1","","Kagesawa, Koichi; Nishimura, Yuki; Yoshida, Hiroki; Breedlove, Brian K.; Yamashita, Masahiro; Miyasaka, Hitoshi","Slow relaxation of the magnetization observed in an antiferromagnetically ordered phase for SCM-based two-dimensional layered compounds.","Dalton transactions (Cambridge, England : 2003)","2017","46","10","3170","3178","10.1039/c6dt04636c","","","0.71073","MoKα","","0.0453","0.0361","","","0.0713","0.0725","","","","","","2.277","","","","has coordinates","195048","2020-10-21","18:00:00",""
"7041962","10.1662","0.0007","13.6138","0.0009","14.2716","0.001","101.362","0.0008","108.357","0.0008","99.005","0.0009","1786.5","0.2","93","","93","","","","","","","","","7","P -1","-P 1","2","","Mn(salen)(C6)(BF4)","","- C37 H38 B F4 Mn2 N4 O7 -","- C37 H38 B F4 Mn2 N4 O7 -","- C74 H76 B2 F8 Mn4 N8 O14 -","2","1","","Kagesawa, Koichi; Nishimura, Yuki; Yoshida, Hiroki; Breedlove, Brian K.; Yamashita, Masahiro; Miyasaka, Hitoshi","Slow relaxation of the magnetization observed in an antiferromagnetically ordered phase for SCM-based two-dimensional layered compounds.","Dalton transactions (Cambridge, England : 2003)","2017","46","10","3170","3178","10.1039/c6dt04636c","","","0.71073","MoKα","","0.0301","0.0273","","","0.0682","0.0699","","","","","","1.037","","","","has coordinates","195048","2020-10-21","18:00:00",""
"7041963","10.5469","0.0006","11.1905","0.0007","18.2196","0.001","97.652","0.002","91.646","0.002","102.765","0.002","2074.8","0.2","120","2","120.18","","","","","","","","","6","P -1","-P 1","2","","{Dy2} (1)","","- C34 H38 Cl4 Dy2 N16 O4 -","- C34 H38 Cl4 Dy2 N16 O4 -","- C68 H76 Cl8 Dy4 N32 O8 -","2","1","","Akhtar, Muhammad Nadeem; Liao, Xiao-Fen; Chen, Yan-Cong; Liu, Jun-Liang; Tong, Ming-Liang","Di- and octa-nuclear dysprosium clusters derived from pyridyl-triazole based ligand: {Dy2} showing single molecule magnetic behaviour.","Dalton transactions (Cambridge, England : 2003)","2017","46","9","2981","2987","10.1039/c7dt00047b","","","0.71073","MoKα","","0.0484","0.0453","","","0.1329","0.1356","","","","","","1.052","","","","has coordinates","193845","2020-10-21","18:00:00",""
"7041964","22.003","0.002","30.483","0.003","24.946","0.002","90","","108.674","0.002","90","","15851","2","123","2","123.15","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","{Dy8} (2)","","- C128 H152 Dy8 N64 O32 -","- C128 H104 Dy8 N64 O14 -","- C512 H416 Dy32 N256 O56 -","4","1","","Akhtar, Muhammad Nadeem; Liao, Xiao-Fen; Chen, Yan-Cong; Liu, Jun-Liang; Tong, Ming-Liang","Di- and octa-nuclear dysprosium clusters derived from pyridyl-triazole based ligand: {Dy2} showing single molecule magnetic behaviour.","Dalton transactions (Cambridge, England : 2003)","2017","46","9","2981","2987","10.1039/c7dt00047b","","","0.71073","MoKα","","0.2193","0.1108","","","0.243","0.3112","","","","","","0.981","","","","has coordinates","193845","2020-10-21","18:00:00",""
"7041965","8.0014","0.0003","14.3032","0.0006","15.5636","0.0008","76.9517","0.0016","79.6241","0.0015","81.52","0.002","1696.19","0.13","173","2","173.2","","","","","","","","","4","P -1","-P 1","2","","","","- C76.8 H73.2 N5.6 O17.6 -","- C76.8 H73.2 N5.6 O17.6 -","- C76.8 H73.2 N5.6 O17.6 -","1","0.5","","Gholami, Ghazale; Baggi, Giorgio; Zhu, Kelong; Loeb, Stephen J.","Metal-organic frameworks utilising an interlocked, hexadentate linker containing a tetra-carboxylate axle and a bis(pyridine) wheel.","Dalton transactions (Cambridge, England : 2003)","2017","46","8","2462","2470","10.1039/c6dt04596k","","","0.71073","MoKα","","0.0665","0.0449","","","0.1059","0.1179","","","","","","1.019","","","","has coordinates,has disorder","193785","2020-10-21","18:00:00",""
"7041966","11.4221","0.0004","21.2742","0.0008","19.0647","0.0007","90","","95.4192","0.0019","90","","4611.9","0.3","173","2","173","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C102 H108 N10 O20 Zn2 -","- C92 H86 N8 O18 Zn2 -","- C184 H172 N16 O36 Zn4 -","2","0.5","","Gholami, Ghazale; Baggi, Giorgio; Zhu, Kelong; Loeb, Stephen J.","Metal-organic frameworks utilising an interlocked, hexadentate linker containing a tetra-carboxylate axle and a bis(pyridine) wheel.","Dalton transactions (Cambridge, England : 2003)","2017","46","8","2462","2470","10.1039/c6dt04596k","","","1.54178","CuKα","","0.0889","0.0683","","","0.1795","0.1957","","","","","","1.059","","","","has coordinates,has disorder","193785","2020-10-21","18:00:00",""
"7041967","8.2465","0.0004","14.4619","0.0006","16.549","0.0008","97.0926","0.0017","94.778","0.002","102.623","0.0018","1898.76","0.15","130","2","130","","","","","","","","","5","P -1","-P 1","2","","","","- C82 H88 N6 O22 Zn2 -","- C82 H88 N6 O22 Zn2 -","- C82 H88 N6 O22 Zn2 -","1","0.5","","Gholami, Ghazale; Baggi, Giorgio; Zhu, Kelong; Loeb, Stephen J.","Metal-organic frameworks utilising an interlocked, hexadentate linker containing a tetra-carboxylate axle and a bis(pyridine) wheel.","Dalton transactions (Cambridge, England : 2003)","2017","46","8","2462","2470","10.1039/c6dt04596k","","","0.71073","MoKα","","0.0541","0.0403","","","0.0954","0.1027","","","","","","1.026","","","","has coordinates,has disorder","193785","2020-10-21","18:00:00",""
"7041968","17.2427","0.0006","14.0544","0.0005","17.554","0.0006","90","","103.263","0.002","90","","4140.5","0.3","173","2","173.35","","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C89.5 H86.5 Cu N7.5 O19.5 -","- C89.72 H86.984 Cu N7.544 O19.544 -","- C179.44 H173.968 Cu2 N15.088 O39.088 -","2","0.5","","Gholami, Ghazale; Baggi, Giorgio; Zhu, Kelong; Loeb, Stephen J.","Metal-organic frameworks utilising an interlocked, hexadentate linker containing a tetra-carboxylate axle and a bis(pyridine) wheel.","Dalton transactions (Cambridge, England : 2003)","2017","46","8","2462","2470","10.1039/c6dt04596k","","","1.54178","CuKα","","0.1677","0.1245","","","0.3433","0.3856","","","","","","1.493","","","","has coordinates,has disorder","193785","2020-10-21","18:00:00",""
"7041969","16.44713","0.00019","64.8158","0.0007","16.02847","0.00018","90","","90","","90","","17086.9","0.3","293","2","293","","","","","","","","","6","P n n a","-P 2a 2bc","52","","","","- C84 H96 Au2 F12 N8 P2 -","- C84 H96 Au2 F12 N8 P2 -","- C672 H768 Au16 F96 N64 P16 -","8","1","","Lozada-Rodríguez, Leticia; Pelayo-Vázquez, José B; Rangel-Salas, Irma I; Alvarado-Rodríguez, José G; Peregrina-Lucano, A Aarón; Pérez-Centeno, Armando; López-Dellamary-Toral, Fernando A; Cortes-Llamas, Sara A","From metallic gold to [Au(NHC)2](+) complexes: an easy, one-pot method.","Dalton transactions (Cambridge, England : 2003)","2017","46","12","3809","3811","10.1039/c7dt00322f","","","1.54184","CuKα","","0.0907","0.0857","","","0.1924","0.1951","","","","","","1.276","","","","has coordinates,has disorder","195118","2020-10-21","18:00:00",""
"7041970","11.566","0.002","11.987","0.002","13.298","0.003","65.28","0.03","78.17","0.03","81.27","0.03","1634.6","0.7","293","","293","","","","","","","","","5","P -1","-P 1","2","","","","- C36 H40 Au B N4 -","- C36 H40 Au B N4 -","- C72 H80 Au2 B2 N8 -","2","1","","Lozada-Rodríguez, Leticia; Pelayo-Vázquez, José B; Rangel-Salas, Irma I; Alvarado-Rodríguez, José G; Peregrina-Lucano, A Aarón; Pérez-Centeno, Armando; López-Dellamary-Toral, Fernando A; Cortes-Llamas, Sara A","From metallic gold to [Au(NHC)2](+) complexes: an easy, one-pot method.","Dalton transactions (Cambridge, England : 2003)","2017","46","12","3809","3811","10.1039/c7dt00322f","","x-ray","0.71073","MoKα","","0.0408","0.0263","","","0.0567","0.0641","","","","","","1.029","","","","has coordinates,has disorder","195118","2020-10-21","18:00:00",""
"7041971","10.9646","0.0003","15.1475","0.0004","20.6185","0.0005","90","","90","","90","","3424.45","0.15","293","","293.15","","","","","","","","","6","P c c n","-P 2ab 2ac","56","","","","- C12 H20 Au B F4 N4 -","- C12 H20 Au B F4 N4 -","- C96 H160 Au8 B8 F32 N32 -","8","1","","Lozada-Rodríguez, Leticia; Pelayo-Vázquez, José B; Rangel-Salas, Irma I; Alvarado-Rodríguez, José G; Peregrina-Lucano, A Aarón; Pérez-Centeno, Armando; López-Dellamary-Toral, Fernando A; Cortes-Llamas, Sara A","From metallic gold to [Au(NHC)2](+) complexes: an easy, one-pot method.","Dalton transactions (Cambridge, England : 2003)","2017","46","12","3809","3811","10.1039/c7dt00322f","","","0.71073","MoKα","","0.0839","0.0776","","","0.2046","0.2163","","","","","","1.07","","","","has coordinates,has disorder","195118","2020-10-21","18:00:00",""
"7041972","11.79038","0.00016","13.8657","0.0002","18.2438","0.0003","103.527","0.0012","93.6234","0.0011","92.6597","0.0011","2888.24","0.08","274","","274","","","","","","","","","5","P -1","-P 1","2","","","","- C66 H68 Au B N4 -","- C66 H68 Au B N4 -","- C132 H136 Au2 B2 N8 -","2","1","","Lozada-Rodríguez, Leticia; Pelayo-Vázquez, José B; Rangel-Salas, Irma I; Alvarado-Rodríguez, José G; Peregrina-Lucano, A Aarón; Pérez-Centeno, Armando; López-Dellamary-Toral, Fernando A; Cortes-Llamas, Sara A","From metallic gold to [Au(NHC)2](+) complexes: an easy, one-pot method.","Dalton transactions (Cambridge, England : 2003)","2017","46","12","3809","3811","10.1039/c7dt00322f","","x-ray","1.54184","CuKα","","0.0263","0.0253","","","0.0689","0.0703","","","","","","1.067","","","","has coordinates","195118","2020-10-21","18:00:00",""
"7041973","13.93691","0.00017","13.93691","0.00017","17.2492","0.0004","90","","90","","90","","3350.44","0.1","294","","294","","","","","","","","","6","P 43 2 2","P 4cw 2c","95","","","","- C30 H48 Au B F4 N4 -","- C30 H48 Au B F4 N4 -","- C120 H192 Au4 B4 F16 N16 -","4","0.5","","Lozada-Rodríguez, Leticia; Pelayo-Vázquez, José B; Rangel-Salas, Irma I; Alvarado-Rodríguez, José G; Peregrina-Lucano, A Aarón; Pérez-Centeno, Armando; López-Dellamary-Toral, Fernando A; Cortes-Llamas, Sara A","From metallic gold to [Au(NHC)2](+) complexes: an easy, one-pot method.","Dalton transactions (Cambridge, England : 2003)","2017","46","12","3809","3811","10.1039/c7dt00322f","","x-ray","1.54184","CuKα","","0.0494","0.048","","","0.129","0.1304","","","","","","1.146","","","","has coordinates,has disorder","195118","2020-10-21","18:00:00",""
"7041974","19.8465","0.0007","12.1654","0.0003","24.9606","0.001","90","","115.822","0.005","90","","5424.8","0.4","293","","293","","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C58 H74 Au B N6 -","- C58 H74 Au B N6 -","- C232 H296 Au4 B4 N24 -","4","0.5","","Lozada-Rodríguez, Leticia; Pelayo-Vázquez, José B; Rangel-Salas, Irma I; Alvarado-Rodríguez, José G; Peregrina-Lucano, A Aarón; Pérez-Centeno, Armando; López-Dellamary-Toral, Fernando A; Cortes-Llamas, Sara A","From metallic gold to [Au(NHC)2](+) complexes: an easy, one-pot method.","Dalton transactions (Cambridge, England : 2003)","2017","46","12","3809","3811","10.1039/c7dt00322f","","x-ray","0.71073","MoKα","","0.0308","0.0267","","","0.058","0.0595","","","","","","1.073","","","","has coordinates","195118","2020-10-21","18:00:00",""
"7041975","7.592","0.002","12.668","0.003","13.662","0.004","73.506","0.003","75.942","0.003","83.232","0.003","1220.5","0.6","150.15","","150.15","","","","","","","","","10","P -1","-P 1","2","","","","- C17 H25 B Cl2 Co F4 Fe N3 O3 S2 -","- C17 H25 B Cl2 Co F4 Fe N3 O3 S2 -","- C34 H50 B2 Cl4 Co2 F8 Fe2 N6 O6 S4 -","2","1","","Ghosh, Pokhraj; Quiroz, Manuel; Wang, Ning; Bhuvanesh, Nattamai; Darensbourg, Marcetta Y.","Complexes of MN2S2·Fe(η(5)-C5R5)(CO) as platform for exploring cooperative heterobimetallic effects in HER electrocatalysis.","Dalton transactions (Cambridge, England : 2003)","2017","46","17","5617","5624","10.1039/c6dt04666e","","","0.71073","MoKα","","0.0498","0.0348","","","0.0822","0.0899","","","","","","1.04","","","","has coordinates,has disorder","196390","2020-10-21","18:00:00",""
"7041976","24.029","0.004","29.365","0.005","12.6042","0.0017","90","","90","","90","","8894","2","150.15","","150.15","","","","","","","","","10","F d d 2","F 2 -2d","43","","","","- C15.38 H23.75 B Cl0.75 Co F4 Fe N3 O2 S2 -","- C15.377 H23.754 B Cl0.754 Co F4 Fe N3 O2 S2 -","- C246.032 H380.064 B16 Cl12.064 Co16 F64 Fe16 N48 O32 S32 -","16","1","","Ghosh, Pokhraj; Quiroz, Manuel; Wang, Ning; Bhuvanesh, Nattamai; Darensbourg, Marcetta Y.","Complexes of MN2S2·Fe(η(5)-C5R5)(CO) as platform for exploring cooperative heterobimetallic effects in HER electrocatalysis.","Dalton transactions (Cambridge, England : 2003)","2017","46","17","5617","5624","10.1039/c6dt04666e","","","0.71073","MoKα","","0.0372","0.0344","","","0.0969","0.0987","","","","","","1.065","","","","has coordinates,has disorder","196390","2020-10-21","18:00:00",""
"7041977","22.3067","0.0009","21.8234","0.0009","10.8799","0.0006","90","","101.649","0.002","90","","5187.3","0.4","110","","110","","","","","","","","","9","C 1 2/c 1","-C 2yc","15","","","","- C20 H33 Co F6 Fe N3 O2 P S2 -","- C20 H33 Co F6 Fe N3 O2 P S2 -","- C160 H264 Co8 F48 Fe8 N24 O16 P8 S16 -","8","1","","Ghosh, Pokhraj; Quiroz, Manuel; Wang, Ning; Bhuvanesh, Nattamai; Darensbourg, Marcetta Y.","Complexes of MN2S2·Fe(η(5)-C5R5)(CO) as platform for exploring cooperative heterobimetallic effects in HER electrocatalysis.","Dalton transactions (Cambridge, England : 2003)","2017","46","17","5617","5624","10.1039/c6dt04666e","","","0.71073","MoKα","","0.0533","0.0433","","","0.0756","0.0801","","","","","","1.172","","","","has coordinates","196390","2020-10-21","18:00:00",""
"7041978","12.6068","0.0004","14.4727","0.0004","27.5824","0.0008","90","","90","","90","","5032.5","0.3","100","","100","","","","","","","","","9","P b c a","-P 2ac 2ab","61","","","","- C20 H33 F6 Fe N2 Ni O P S2 -","- C20 H33 F6 Fe N2 Ni O P S2 -","- C160 H264 F48 Fe8 N16 Ni8 O8 P8 S16 -","8","1","","Ghosh, Pokhraj; Quiroz, Manuel; Wang, Ning; Bhuvanesh, Nattamai; Darensbourg, Marcetta Y.","Complexes of MN2S2·Fe(η(5)-C5R5)(CO) as platform for exploring cooperative heterobimetallic effects in HER electrocatalysis.","Dalton transactions (Cambridge, England : 2003)","2017","46","17","5617","5624","10.1039/c6dt04666e","","","1.54178","CuKα","","0.0738","0.0638","","","0.1507","0.1583","","","","","","1.041","","","","has coordinates,has disorder","196390","2020-10-21","18:00:00",""
"7041979","14.0874","0.0008","15.639","0.0009","24.3593","0.0014","90","","104.696","0.0006","90","","5191.1","0.5","143","2","143","2","","","","","","","","8","P 1 21/n 1","-P 2yn","14","","","","- C55 H50 Cl2 N2 P2 Pt S4 W -","- C55 H50 Cl2 N2 P2 Pt S4 W -","- C220 H200 Cl8 N8 P8 Pt4 S16 W4 -","4","1","","Rosenkoetter, Kyle E.; Ziller, Joseph W.; Heyduk, Alan F.","Heterobimetallic complexes of palladium and platinum containing a redox-active W[SNS]2 metalloligand.","Dalton transactions (Cambridge, England : 2003)","2017","46","17","5503","5507","10.1039/c6dt04451d","","","0.71073","MoKα","","0.0241","0.0203","","","0.0469","0.0482","","","","","","1.025","","","","has coordinates","196413","2020-10-21","18:00:00",""
"7041980","14.0682","0.0013","15.7304","0.0014","24.27","0.002","90","","104.331","0.0011","90","","5203.8","0.8","88","2","88","2","","","","","","","","8","P 1 21/n 1","-P 2yn","14","","","","- C55 H50 Cl2 N2 P2 Pd S4 W -","- C55 H50 Cl2 N2 P2 Pd S4 W -","- C220 H200 Cl8 N8 P8 Pd4 S16 W4 -","4","1","","Rosenkoetter, Kyle E.; Ziller, Joseph W.; Heyduk, Alan F.","Heterobimetallic complexes of palladium and platinum containing a redox-active W[SNS]2 metalloligand.","Dalton transactions (Cambridge, England : 2003)","2017","46","17","5503","5507","10.1039/c6dt04451d","","","0.71073","MoKα","","0.0208","0.0185","","","0.0435","0.0444","","","","","","1.033","","","","has coordinates,has disorder","196413","2020-10-21","18:00:00",""
"7041981","12.694","0.003","12.948","0.003","23.498","0.006","103.967","0.004","101.905","0.005","91.809","0.003","3653.9","1.5","113","","113","","","","","","","","","6","P -1","-P 1","2","","","","- C62 H44 Ag3 Gd3 N10 O31 -","- C62 H44 Ag3 Gd3 N10 O31 -","- C124 H88 Ag6 Gd6 N20 O62 -","2","1","","Ma, Huili; Wang, Lu; Chen, Jinghuo; Zhang, Xuejing; Wang, Liang; Xu, Na; Yang, Guangming; Cheng, Peng","A multi-responsive luminescent sensor for organic small-molecule pollutants and metal ions based on a 4d-4f metal-organic framework.","Dalton transactions (Cambridge, England : 2003)","2017","46","11","3526","3534","10.1039/c7dt00159b","","","0.71073","MoKα","","0.0638","0.0471","","","0.1114","0.1187","","","","","","1.024","","","","has coordinates","195111","2020-10-21","18:00:00",""
"7041982","12.6918","0.0004","12.9749","0.0004","23.5138","0.0007","103.995","0.001","102.154","0.001","91.667","0.001","3659.9","0.2","120","","120","","","","","","","","","6","P -1","-P 1","2","","","","- C62 H44 Ag3 N10 O31 Tb3 -","- C62 H44 Ag3 N10 O31 Tb3 -","- C124 H88 Ag6 N20 O62 Tb6 -","2","1","","Ma, Huili; Wang, Lu; Chen, Jinghuo; Zhang, Xuejing; Wang, Liang; Xu, Na; Yang, Guangming; Cheng, Peng","A multi-responsive luminescent sensor for organic small-molecule pollutants and metal ions based on a 4d-4f metal-organic framework.","Dalton transactions (Cambridge, England : 2003)","2017","46","11","3526","3534","10.1039/c7dt00159b","","","0.71073","MoKα","","0.0644","0.0412","","","0.0858","0.0925","","","","","","1.043","","","","has coordinates","195111","2020-10-21","18:00:00",""
"7041983","8.5761","0.0007","5.7765","0.0005","18.0007","0.0014","90","","93.358","0.003","90","","890.22","0.13","150","1","150","1","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","","","- C24 H14 N4 -","- C24 H14 N4 -","- C48 H28 N8 -","2","0.5","","He, Zuoli; Li, Meng; Que, Wenxiu; Stang, Peter J.","Self-assembly of metal-ion-responsive supramolecular coordination complexes and their photophysical properties.","Dalton transactions (Cambridge, England : 2003)","2017","46","10","3120","3124","10.1039/c7dt00174f","","","0.71073","MoKα","","0.0613","0.0479","","","0.137","0.1479","","","","","","1.084","","","","has coordinates","195062","2020-10-21","18:00:00",""
"7041986","15.965","0.004","20.231","0.005","13.227","0.003","90","","111.993","0.003","90","","3961.3","1.7","93","2","93","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C20 H42.88 Cu4.78 N13.56 O24.12 -","- C20 H42.88 Cu4.78 N13.56 O24.12 -","- C80 H171.52 Cu19.12 N54.24 O96.48 -","4","0.5","","Otsuki, Joe; Sekine, Tatsuki; Kida, Yuki; Shinozaki, Yoshinao; Kobayashi, Sayaka; Tamura, Takahiro; Sugawa, Kosuke; Yoshikawa, Isao; Houjou, Hirohiko; Yoshikawa, Hiroki; Tsukamoto, Arata","Spontaneous ligand nitrosation and self-assembly into a pentacopper metallacrown complex.","Dalton transactions (Cambridge, England : 2003)","2017","46","9","2760","2764","10.1039/c6dt04696g","","","0.71075","MoKα","","0.0403","0.0344","","","0.0924","0.0953","","","","","","1.05","","","","has coordinates,has disorder","193851","2020-10-21","18:00:00",""
"7041987","11.368","0.005","16.766","0.007","17.431","0.006","90","","129.213","0.019","90","","2574.1","1.9","293","2","293","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C46 H42 Br2 Cl2 Co2 N10 O12 -","- C46 H42 Br2 Cl2 Co2 N10 O12 -","- C92 H84 Br4 Cl4 Co4 N20 O24 -","2","0.5","","Cao, Wenhai; Zhu, Xiaoquan; Liu, Pengfei; Su, Shaodong; Hu, Shengmin; Wen, Yuehong; Wu, Xintao; Sheng, Tianlu","Benzoquinone-bridged Co2 complexes with different magnetic anisotropy induced by solvent molecules.","Dalton transactions (Cambridge, England : 2003)","2017","46","11","3435","3437","10.1039/c6dt04420d","","","0.71073","MoKα","","0.0442","0.0355","","","0.0807","0.085","","","","","","1.052","","","","has coordinates,has disorder","195105","2020-10-21","18:00:00",""
"7041988","26.891","0.006","11.09","0.003","16.954","0.004","90","","92.458","0.004","90","","5051","2","293","2","293","2","","","","","","","","7","C 1 2/c 1","-C 2yc","15","","","","- C42 H42 Br2 Cl2 Co2 N8 O15 -","- C42 H42 Br2 Cl2 Co2 N8 O15 -","- C168 H168 Br8 Cl8 Co8 N32 O60 -","4","0.5","","Cao, Wenhai; Zhu, Xiaoquan; Liu, Pengfei; Su, Shaodong; Hu, Shengmin; Wen, Yuehong; Wu, Xintao; Sheng, Tianlu","Benzoquinone-bridged Co2 complexes with different magnetic anisotropy induced by solvent molecules.","Dalton transactions (Cambridge, England : 2003)","2017","46","11","3435","3437","10.1039/c6dt04420d","","","0.71073","MoKα","","0.0541","0.0445","","","0.1293","0.1378","","","","","","1.017","","","","has coordinates,has disorder","195105","2020-10-21","18:00:00",""
"7041989","11.5778","0.0006","17.6871","0.001","22.3777","0.0012","90","","101.004","0.001","90","","4498.2","0.4","200","2","200","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C61 H51 O P2 Rh -","- C61 H51 O P2 Rh -","- C244 H204 O4 P8 Rh4 -","4","1","","Fischbach, Urs; Trincado, M.; Grützmacher, Hansjörg","Oxidative formation of phosphinyl radicals from a trigonal pyramidal terminal phosphide Rh(i) complex, with an unusually long Rh-P bond.","Dalton transactions (Cambridge, England : 2003)","2017","46","11","3443","3448","10.1039/c7dt00070g","","","0.71073","MoKα","","0.0744","0.0726","","","0.1518","0.1525","","","","","","1.402","","","","has coordinates,has disorder","195098","2020-10-21","18:00:00",""
"7041990","13.0718","0.0011","18.2712","0.0016","15.6047","0.0013","90","","103.429","0.001","90","","3625.1","0.5","200","2","200","2","","","","","","","","7","P 1 21/n 1","-P 2yn","14","(trifluoromethanesulfonato)[tris(trop)phosphane]rhodium(I)","","","- C46 H33 F3 O3 P Rh S -","- C46 H33 F3 O3 P Rh S -","- C184 H132 F12 O12 P4 Rh4 S4 -","4","1","","Fischbach, Urs; Trincado, M.; Grützmacher, Hansjörg","Oxidative formation of phosphinyl radicals from a trigonal pyramidal terminal phosphide Rh(i) complex, with an unusually long Rh-P bond.","Dalton transactions (Cambridge, England : 2003)","2017","46","11","3443","3448","10.1039/c7dt00070g","","","0.71073","MoKα","","0.0622","0.0397","","","0.0982","0.1127","","","","","","1.064","","","","has coordinates","195098","2020-10-21","18:00:00",""
"7041991","11.5568","0.0008","17.6715","0.0012","22.3047","0.0015","90","","99.327","0.001","90","","4495","0.5","200","2","200.15","","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C58 H45 Cl2 O P2 Rh -","- C58 H45 Cl2 O P2 Rh -","- C232 H180 Cl8 O4 P8 Rh4 -","4","1","","Fischbach, Urs; Trincado, M.; Grützmacher, Hansjörg","Oxidative formation of phosphinyl radicals from a trigonal pyramidal terminal phosphide Rh(i) complex, with an unusually long Rh-P bond.","Dalton transactions (Cambridge, England : 2003)","2017","46","11","3443","3448","10.1039/c7dt00070g","","","0.71073","MoKα","","0.0553","0.0411","","","0.1126","0.1228","","","","","","1.067","","","","has coordinates","195098","2020-10-21","18:00:00",""
"7041992","14.2","0.005","18.006","0.007","18.029","0.007","69.78","0.04","83.79","0.03","84.34","0.03","4291","3","90","2","90","2","","","","","","","","6","P -1","-P 1","2","","","","- C154 H158 Dy8 N15 Ni6 O58.5 -","- C154 H157 Dy8 N15 Ni6 O58.5 -","- C154 H157 Dy8 N15 Ni6 O58.5 -","1","0.5","","Canaj, Angelos B.; Kalofolias, Dimitris A.; Siczek, Milosz; Lis, Tadeusz; McNab, Robbie; Lorusso, Giulia; Inglis, Ross; Evangelisti, Marco; Milios, Constantinos J.","Tetradecanuclearity in 3d-4f chemistry: relaxation and magnetocaloric effects in [NiLn] species.","Dalton transactions (Cambridge, England : 2003)","2017","46","11","3449","3452","10.1039/c7dt00102a","","","0.71073","MoKα","","0.1088","0.0607","","","0.1499","0.1897","","","","","","1.034","","","","has coordinates,has disorder","195096","2020-10-21","18:00:00",""
"7041993","14.238","0.005","18.199","0.007","18.053","0.007","69.2","0.04","83.19","0.03","83.63","0.03","4330","3","100","2","100","2","","","","","","","","6","P -1","-P 1","2","","","","- C154 H159 Gd8 N15 Ni6 O59 -","- C154 H157 Gd8.002 N15 Ni6 O59 -","- C154 H157 Gd8.002 N15 Ni6 O59 -","1","0.5","","Canaj, Angelos B.; Kalofolias, Dimitris A.; Siczek, Milosz; Lis, Tadeusz; McNab, Robbie; Lorusso, Giulia; Inglis, Ross; Evangelisti, Marco; Milios, Constantinos J.","Tetradecanuclearity in 3d-4f chemistry: relaxation and magnetocaloric effects in [NiLn] species.","Dalton transactions (Cambridge, England : 2003)","2017","46","11","3449","3452","10.1039/c7dt00102a","","","0.71073","MoKα","","0.1253","0.0703","","","0.1706","0.2081","","","","","","1.044","","","","has coordinates,has disorder","195096","2020-10-21","18:00:00",""
"7041994","6.1105","0.0003","10.2259","0.0005","6.9669","0.0003","90","","93.973","0.002","90","","434.28","0.04","100","2","100","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","2,3-Dihydroxypyrazine","","- C4 H4 N2 O2 -","- C4 H4 N2 O2 -","- C16 H16 N8 O8 -","4","1","","Finger, Lars H.; Venker, Alexander; Schröder, Fabian G; Sundermeyer, Jörg","New lithium borates with bistetrazolato(2-) and pyrazinediolato(2-) ligands - potentially interesting lithium electrolyte additives.","Dalton transactions (Cambridge, England : 2003)","2017","46","9","3014","3024","10.1039/c7dt00308k","","","0.71073","MoKα","","0.034","0.0314","","","0.0894","0.0915","","","","","","1.062","","","","has coordinates","193849","2020-10-21","18:00:00",""
"7041995","8.1367","0.0013","9.2057","0.0016","11.0783","0.0017","107.287","0.013","101.5","0.013","97.456","0.013","760.4","0.2","100","2","100","2","","","","","","","","7","P -1","-P 1","2","","","","- C10 H16 B F2 Li N8 O2 -","- C10 H16 B F2 Li N8 O2 -","- C20 H32 B2 F4 Li2 N16 O4 -","2","1","","Finger, Lars H.; Venker, Alexander; Schröder, Fabian G; Sundermeyer, Jörg","New lithium borates with bistetrazolato(2-) and pyrazinediolato(2-) ligands - potentially interesting lithium electrolyte additives.","Dalton transactions (Cambridge, England : 2003)","2017","46","9","3014","3024","10.1039/c7dt00308k","","","0.71073","MoKα","","0.0991","0.0401","","","0.0803","0.0915","","","","","","0.762","","","","has coordinates","193849","2020-10-21","18:00:00",""
"7041996","11.2602","0.0006","11.054","0.0005","23.4337","0.0011","90","","90","","90","","2916.8","0.2","100","2","100","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","2,3-Bis(trimethylsilyloxy)pyrazine","","- C10 H20 N2 O2 Si2 -","- C10 H20 N2 O2 Si2 -","- C80 H160 N16 O16 Si16 -","8","1","","Finger, Lars H.; Venker, Alexander; Schröder, Fabian G; Sundermeyer, Jörg","New lithium borates with bistetrazolato(2-) and pyrazinediolato(2-) ligands - potentially interesting lithium electrolyte additives.","Dalton transactions (Cambridge, England : 2003)","2017","46","9","3014","3024","10.1039/c7dt00308k","","","0.71073","MoKα","","0.0339","0.0271","","","0.0702","0.0727","","","","","","1.037","","","","has coordinates","193849","2020-10-21","18:00:00",""
"7041997","9.6535","0.0014","18.036","0.002","15.8966","0.0018","90","","101.86","0.01","90","","2708.7","0.6","100","2","100","2","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C14 H15 B2 F2 Li2 N21 O -","- C14 H15 B2 F2 Li2 N21 O -","- C56 H60 B8 F8 Li8 N84 O4 -","4","1","","Finger, Lars H.; Venker, Alexander; Schröder, Fabian G; Sundermeyer, Jörg","New lithium borates with bistetrazolato(2-) and pyrazinediolato(2-) ligands - potentially interesting lithium electrolyte additives.","Dalton transactions (Cambridge, England : 2003)","2017","46","9","3014","3024","10.1039/c7dt00308k","","","0.71073","MoKα","","0.2816","0.0612","","","0.0895","0.14","","","","","","0.589","","","","has coordinates","193849","2020-10-21","18:00:00",""
"7041998","15.46","0.005","9.897","0.005","41.241","0.005","90","0.005","93.289","0.005","90","0.005","6300","4","100","2","100","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C58 H39 B3 N32 O12 -","- C58 H39 B3 N32 O12 -","- C232 H156 B12 N128 O48 -","4","0.5","","Finger, Lars H.; Venker, Alexander; Schröder, Fabian G; Sundermeyer, Jörg","New lithium borates with bistetrazolato(2-) and pyrazinediolato(2-) ligands - potentially interesting lithium electrolyte additives.","Dalton transactions (Cambridge, England : 2003)","2017","46","9","3014","3024","10.1039/c7dt00308k","","","0.71069","MoKα","","0.1259","0.0623","","","0.1282","0.1526","","","","","","1.014","","","","has coordinates,has disorder","193849","2020-10-21","18:00:00",""
"7041999","7.113","0.007","11.2141","0.0013","18.634","0.002","90","","96.884","0.009","90","","1475.6","1.5","100","2","100","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","2,2'-Bis-(trimethylsilyl)-5,5'-bistetrazol","","- C8 H18 N8 Si2 -","- C8 H18 N8 Si2 -","- C32 H72 N32 Si8 -","4","1","","Finger, Lars H.; Venker, Alexander; Schröder, Fabian G; Sundermeyer, Jörg","New lithium borates with bistetrazolato(2-) and pyrazinediolato(2-) ligands - potentially interesting lithium electrolyte additives.","Dalton transactions (Cambridge, England : 2003)","2017","46","9","3014","3024","10.1039/c7dt00308k","","","0.71069","MoKα","","0.1304","0.0477","","","0.0926","0.112","","","","","","0.824","","","","has coordinates","193849","2020-10-21","18:00:00",""
"7042000","10.7012","0.0007","16.4098","0.001","15.3653","0.0009","90","","103.945","0.002","90","","2618.7","0.3","100","2","100","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","Tetrabutylammonium bis(2,3-oxypyrazine)borate","","- C24 H40 B N5 O4 -","- C24 H40 B N5 O4 -","- C96 H160 B4 N20 O16 -","4","1","","Finger, Lars H.; Venker, Alexander; Schröder, Fabian G; Sundermeyer, Jörg","New lithium borates with bistetrazolato(2-) and pyrazinediolato(2-) ligands - potentially interesting lithium electrolyte additives.","Dalton transactions (Cambridge, England : 2003)","2017","46","9","3014","3024","10.1039/c7dt00308k","","","0.71073","MoKα","","0.0679","0.0477","","","0.1084","0.1181","","","","","","1.037","","","","has coordinates","193849","2020-10-21","18:00:00",""
"7042001","10.114","0.0006","11.7988","0.0007","17.7771","0.001","87.703","0.002","74.253","0.002","79.855","0.002","2009.8","0.2","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","","","- C18 H14 B N9 O4 -","- C18 H14 B N9 O4 -","- C72 H56 B4 N36 O16 -","4","2","","Finger, Lars H.; Venker, Alexander; Schröder, Fabian G; Sundermeyer, Jörg","New lithium borates with bistetrazolato(2-) and pyrazinediolato(2-) ligands - potentially interesting lithium electrolyte additives.","Dalton transactions (Cambridge, England : 2003)","2017","46","9","3014","3024","10.1039/c7dt00308k","","","0.71073","MoKα","","0.0944","0.0531","","","0.0979","0.1102","","","","","","1.045","","","","has coordinates,has disorder","193849","2020-10-21","18:00:00",""
"7042002","18.906","0.0011","15.4153","0.0009","21.5073","0.0013","90","","96.314","0.002","90","","6230.1","0.6","100","2","100","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","Tris(1,2-dimethoxyethane)lithium bis(pyrazine-5,6-dicarbonitrile-2,3-diolato)borate","","- C24 H30 B Li N8 O10 -","- C24 H30 B Li N8 O10 -","- C192 H240 B8 Li8 N64 O80 -","8","1","","Finger, Lars H.; Venker, Alexander; Schröder, Fabian G; Sundermeyer, Jörg","New lithium borates with bistetrazolato(2-) and pyrazinediolato(2-) ligands - potentially interesting lithium electrolyte additives.","Dalton transactions (Cambridge, England : 2003)","2017","46","9","3014","3024","10.1039/c7dt00308k","","","0.71073","MoKα","","0.0646","0.0416","","","0.0926","0.1031","","","","","","1.042","","","","has coordinates","193849","2020-10-21","18:00:00",""
"7042003","8.9762","0.0005","10.6031","0.0005","12.2023","0.0006","97.617","0.002","110.139","0.002","108.416","0.002","995.83","0.09","123","2","123","2","","","","","","","","7","P -1","-P 1","2","","","","- C14 H24 Au F6 N4 O2 P -","- C14 H24 Au F6 N4 O2 P -","- C28 H48 Au2 F12 N8 O4 P2 -","2","1","","Diehl, Tobias; Krause, Melanie T. S.; Ueberlein, Sven; Becker, Stefanie; Trommer, Aline; Schnakenburg, Gregor; Engeser, Marianne","Synthesis of hydroxyl-functionalized N-heterocyclic carbene gold(i) complexes and peptide conjugates.","Dalton transactions (Cambridge, England : 2003)","2017","46","9","2988","2997","10.1039/c6dt04834j","","x-ray","0.71073","MoKα","","0.0247","0.0193","","","0.0383","0.04","","","","","","1.065","","","","has coordinates,has disorder","193842","2020-10-21","18:00:00",""
"7042004","12.3278","0.0006","9.1978","0.0004","32.2351","0.0014","90","","90.654","0.003","90","","3654.9","0.3","100","","100.01","","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","TD45","","- C26 H42 Au F6 N6 O8 P -","- C26 H42 Au F6 N6 O8 P -","- C104 H168 Au4 F24 N24 O32 P4 -","4","1","","Diehl, Tobias; Krause, Melanie T. S.; Ueberlein, Sven; Becker, Stefanie; Trommer, Aline; Schnakenburg, Gregor; Engeser, Marianne","Synthesis of hydroxyl-functionalized N-heterocyclic carbene gold(i) complexes and peptide conjugates.","Dalton transactions (Cambridge, England : 2003)","2017","46","9","2988","2997","10.1039/c6dt04834j","","x-ray","1.54178","CuKα","","0.1198","0.1095","","","0.2425","0.248","","","","","","1.242","","","","has coordinates","193842","2020-10-21","18:00:00",""
"7042005","16.423","0.004","12.458","0.002","10.897","0.002","90","","124.758","0.006","90","","1831.7","0.6","123","2","123","2","","","","","","","","7","C 1 2/m 1","-C 2y","12","","","","- C12 H20 Au F6 N4 O2 P -","- C12 H20 Au F6 N4 O2 P -","- C48 H80 Au4 F24 N16 O8 P4 -","4","0.5","","Diehl, Tobias; Krause, Melanie T. S.; Ueberlein, Sven; Becker, Stefanie; Trommer, Aline; Schnakenburg, Gregor; Engeser, Marianne","Synthesis of hydroxyl-functionalized N-heterocyclic carbene gold(i) complexes and peptide conjugates.","Dalton transactions (Cambridge, England : 2003)","2017","46","9","2988","2997","10.1039/c6dt04834j","","x-ray","0.71073","MoKα","","0.0638","0.0407","","","0.0913","0.0984","","","","","","1.012","","","","has coordinates,has disorder","193842","2020-10-21","18:00:00",""
"7042006","12.0304","0.0011","17.8122","0.0017","16.3585","0.0017","90","","98.112","0.003","90","","3470.4","0.6","100","","100","","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","TD34","","- C28 H46 Au Br N6 O8 -","- C28 H46 Au Br N6 O8 -","- C112 H184 Au4 Br4 N24 O32 -","4","0.5","","Diehl, Tobias; Krause, Melanie T. S.; Ueberlein, Sven; Becker, Stefanie; Trommer, Aline; Schnakenburg, Gregor; Engeser, Marianne","Synthesis of hydroxyl-functionalized N-heterocyclic carbene gold(i) complexes and peptide conjugates.","Dalton transactions (Cambridge, England : 2003)","2017","46","9","2988","2997","10.1039/c6dt04834j","","","0.71073","MoKα","","0.1204","0.0956","","","0.2196","0.237","","","","","","1.332","","","","has coordinates,has disorder","193842","2020-10-21","18:00:00",""
"7042007","13.4734","0.001","14.2194","0.001","11.8904","0.0008","90","","96.142","0.006","90","","2264.9","0.3","123","","123","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C22 H26 Au Br N4 O2 -","- C22 H26 Au Br N4 O2 -","- C88 H104 Au4 Br4 N16 O8 -","4","0.5","","Diehl, Tobias; Krause, Melanie T. S.; Ueberlein, Sven; Becker, Stefanie; Trommer, Aline; Schnakenburg, Gregor; Engeser, Marianne","Synthesis of hydroxyl-functionalized N-heterocyclic carbene gold(i) complexes and peptide conjugates.","Dalton transactions (Cambridge, England : 2003)","2017","46","9","2988","2997","10.1039/c6dt04834j","","","0.71073","MoKα","","0.1482","0.1461","","","0.3493","0.3503","","","","","","1.368","","","","has coordinates","193842","2020-10-21","18:00:00",""
"7042008","13.6194","0.0006","17.9428","0.0009","36.8915","0.0017","90","","90","","90","","9015.2","0.7","100","2","100","2","","","","","","","","7","F d d d","-F 2uv 2vw","70","","TD43","","- C16 H28 Au F6 N4 O2 P -","- C16 H28 Au F6 N4 O2 P -","- C256 H448 Au16 F96 N64 O32 P16 -","16","","","Diehl, Tobias; Krause, Melanie T. S.; Ueberlein, Sven; Becker, Stefanie; Trommer, Aline; Schnakenburg, Gregor; Engeser, Marianne","Synthesis of hydroxyl-functionalized N-heterocyclic carbene gold(i) complexes and peptide conjugates.","Dalton transactions (Cambridge, England : 2003)","2017","46","9","2988","2997","10.1039/c6dt04834j","","x-ray","0.71073","MoKα","","0.0331","0.0238","","","0.0546","0.059","","","","","","1.133","","","","has coordinates,has disorder","193842","2020-10-21","18:00:00",""
"7042009","9.8436","0.0009","9.7838","0.0011","11.9428","0.0014","93.827","0.009","94.488","0.008","93.486","0.008","1141.6","0.2","123","2","123","2","","","","","","","","6","P -1","-P 1","2","","MTS57","","- C22 H27 Au Br N4 O2 -","- C22 H27 Au Br N4 O2 -","- C44 H54 Au2 Br2 N8 O4 -","2","1","","Diehl, Tobias; Krause, Melanie T. S.; Ueberlein, Sven; Becker, Stefanie; Trommer, Aline; Schnakenburg, Gregor; Engeser, Marianne","Synthesis of hydroxyl-functionalized N-heterocyclic carbene gold(i) complexes and peptide conjugates.","Dalton transactions (Cambridge, England : 2003)","2017","46","9","2988","2997","10.1039/c6dt04834j","","","0.71073","MoKα","","0.1717","0.0983","","","0.2178","0.2478","","","","","","0.899","","","","has coordinates","193842","2020-10-21","18:00:00",""
"7042010","9.7388","0.0009","11.225","0.0011","11.2485","0.0008","74.396","0.005","77.892","0.005","79.474","0.004","1147.54","0.18","123","2","123","2","","","","","","","","7","P -1","-P 1","2","","TDDA-20","","- C32 H58 Au2 F12 N8 O5 P2 -","- C32 H58 Au2 F12 N8 O5 P2 -","- C32 H58 Au2 F12 N8 O5 P2 -","1","0.5","","Diehl, Tobias; Krause, Melanie T. S.; Ueberlein, Sven; Becker, Stefanie; Trommer, Aline; Schnakenburg, Gregor; Engeser, Marianne","Synthesis of hydroxyl-functionalized N-heterocyclic carbene gold(i) complexes and peptide conjugates.","Dalton transactions (Cambridge, England : 2003)","2017","46","9","2988","2997","10.1039/c6dt04834j","","","0.71073","MoKα","","0.0791","0.0539","","","0.1132","0.1227","","","","","","1.003","","","","has coordinates,has disorder","193842","2020-10-21","18:00:00",""
"7042011","11.0455","0.0005","19.3025","0.0008","16.4884","0.0007","90","","102.29","0.001","90","","3434.9","0.3","120","2","120","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C37 H44 Ag Br N2 -","- C37 H44 Ag Br N2 -","- C148 H176 Ag4 Br4 N8 -","4","1","","Chesnokov, Gleb A.; Topchiy, Maxim A.; Dzhevakov, Pavel B.; Gribanov, Pavel S.; Tukov, Aleksandr A.; Khrustalev, Victor N.; Asachenko, Andrey F.; Nechaev, Mikhail S.","Eight-membered-ring diaminocarbenes bearing naphthalene moiety in the backbone: DFT studies, synthesis of amidinium salts, generation of free carbene, metal complexes, and solvent-free copper catalyzed azide-alkyne cycloaddition (CuAAC) reaction.","Dalton transactions (Cambridge, England : 2003)","2017","46","13","4331","4345","10.1039/c6dt04484k","","","0.71073","MoKα","","0.0971","0.0507","","","0.114","0.1279","","","","","","0.972","","","","has coordinates","195089","2020-10-21","18:00:00",""
"7042012","11.1858","0.0004","19.243","0.0007","15.5488","0.0006","90","","102.702","0.001","90","","3264.9","0.2","120","2","120","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C37 H46.5 Br N2 O0.75 -","- C37 H46.5 Br N2 O0.75 -","- C148 H186 Br4 N8 O3 -","4","1","","Chesnokov, Gleb A.; Topchiy, Maxim A.; Dzhevakov, Pavel B.; Gribanov, Pavel S.; Tukov, Aleksandr A.; Khrustalev, Victor N.; Asachenko, Andrey F.; Nechaev, Mikhail S.","Eight-membered-ring diaminocarbenes bearing naphthalene moiety in the backbone: DFT studies, synthesis of amidinium salts, generation of free carbene, metal complexes, and solvent-free copper catalyzed azide-alkyne cycloaddition (CuAAC) reaction.","Dalton transactions (Cambridge, England : 2003)","2017","46","13","4331","4345","10.1039/c6dt04484k","","","0.71073","MoKα","","0.0849","0.0481","","","0.107","0.1228","","","","","","1.025","","","","has coordinates","195089","2020-10-21","18:00:00",""
"7042013","11.0973","0.0011","19.2875","0.0019","16.1494","0.0016","90","","102.137","0.002","90","","3379.3","0.6","120","2","120","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C37 H44 Br Cu N2 -","- C37 H44 Br Cu N2 -","- C148 H176 Br4 Cu4 N8 -","4","1","","Chesnokov, Gleb A.; Topchiy, Maxim A.; Dzhevakov, Pavel B.; Gribanov, Pavel S.; Tukov, Aleksandr A.; Khrustalev, Victor N.; Asachenko, Andrey F.; Nechaev, Mikhail S.","Eight-membered-ring diaminocarbenes bearing naphthalene moiety in the backbone: DFT studies, synthesis of amidinium salts, generation of free carbene, metal complexes, and solvent-free copper catalyzed azide-alkyne cycloaddition (CuAAC) reaction.","Dalton transactions (Cambridge, England : 2003)","2017","46","13","4331","4345","10.1039/c6dt04484k","","","0.71073","MoKα","","0.1345","0.0564","","","0.1127","0.1416","","","","","","0.968","","","","has coordinates","195089","2020-10-21","18:00:00",""
"7042014","10.481","0.0002","14.0777","0.0003","14.7299","0.0003","86.0014","0.0017","72.374","0.002","68.873","0.002","1930.21","0.08","150","","150","","","","","","","","","8","P -1","-P 1","2","","","","- C36 H32 Au2 Cl2 Cu F6 N2 P3 -","- C36 H32 Au2 Cl2 Cu F6 N2 P3 -","- C72 H64 Au4 Cl4 Cu2 F12 N4 P6 -","2","1","","Hobbollahi, Elnaz; List, Manuela; Hupp, Benjamin; Mohr, Fabian; Berger, Raphael J. F.; Steffen, Andreas; Monkowius, Uwe","Highly efficient cold-white light emission in a [Au2CuCl2(P∩N)2]PF6 type salt.","Dalton transactions (Cambridge, England : 2003)","2017","46","11","3438","3442","10.1039/c7dt00180k","","x-ray","0.71073","MoKα","","0.0384","0.0271","","","0.055","0.0588","","","","","","1.024","","","","has coordinates","195097","2020-10-21","18:00:00",""
"7042015","11.438","0.003","12.047","0.003","12.858","0.003","90","","90","","90","","1771.7","0.8","300","2","300","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C18 H16 Au Cl N P -","- C18 H16 Au Cl N P -","- C72 H64 Au4 Cl4 N4 P4 -","4","1","","Hobbollahi, Elnaz; List, Manuela; Hupp, Benjamin; Mohr, Fabian; Berger, Raphael J. F.; Steffen, Andreas; Monkowius, Uwe","Highly efficient cold-white light emission in a [Au2CuCl2(P∩N)2]PF6 type salt.","Dalton transactions (Cambridge, England : 2003)","2017","46","11","3438","3442","10.1039/c7dt00180k","","","0.71073","MoKα","","0.0478","0.0365","","","0.075","0.08","","","","","","0.933","","","","has coordinates","195097","2020-10-21","18:00:00",""
"7042016","12.691","0.002","26.883","0.002","7.54","0.005","90","","90","","90","","2572.4","1.8","173","2","173.15","","","","","","","","","5","P n m a","-P 2ac 2n","62","","","","- C25 H32 Br2 N4 Pd -","- C25 H32 Br2 N4 Pd -","- C100 H128 Br8 N16 Pd4 -","4","0.5","","Gardiner, Michael G.; McGuinness, David S.; Vanston, Catriona R.","Chelated bis(NHC) complexes of saturated (imidazolin-2-ylidene) NHC ligands: structural authentication and facile ligand fragmentation.","Dalton transactions (Cambridge, England : 2003)","2017","46","9","3051","3058","10.1039/c7dt00327g","","","0.7107","Synchrotron","","0.0588","0.0528","","","0.1349","0.1399","","","","","","1.059","","","","has coordinates","193839","2020-10-21","18:00:00",""
"7042017","15.142","0.004","26.641","0.002","15.776","0.002","90","","100.79","0.01","90","","6251.5","1.9","173","2","173.15","","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C58 H78 Ag2 F12 N10 P2 -","- C58 H78 Ag2 F12 N10 P2 -","- C232 H312 Ag8 F48 N40 P8 -","4","1","","Gardiner, Michael G.; McGuinness, David S.; Vanston, Catriona R.","Chelated bis(NHC) complexes of saturated (imidazolin-2-ylidene) NHC ligands: structural authentication and facile ligand fragmentation.","Dalton transactions (Cambridge, England : 2003)","2017","46","9","3051","3058","10.1039/c7dt00327g","","","0.7108","Synchrotron","","0.056","0.046","","","0.1123","0.1189","","","","","","1.041","","","","has coordinates","193839","2020-10-21","18:00:00",""
"7042018","13.015","0.002","13.237","0.001","19.112","0.002","74.1","0.01","83.16","0.01","68.73","0.01","2950.2","0.6","173","2","173.15","","","","","","","","","6","P -1","-P 1","2","","","","- C54 H70 Ag2 F12 N10 P2 -","- C54 H70 Ag2 F12 N10 P2 -","- C108 H140 Ag4 F24 N20 P4 -","2","1","","Gardiner, Michael G.; McGuinness, David S.; Vanston, Catriona R.","Chelated bis(NHC) complexes of saturated (imidazolin-2-ylidene) NHC ligands: structural authentication and facile ligand fragmentation.","Dalton transactions (Cambridge, England : 2003)","2017","46","9","3051","3058","10.1039/c7dt00327g","","","0.7107","Synchrotron","","0.0838","0.0698","","","0.1944","0.2104","","","","","","1.142","","","","has coordinates","193839","2020-10-21","18:00:00",""
"7042019","24.136","0.002","6.839","0.001","24.481","0.003","90","","113.25","0.06","90","","3712.8","1.8","173","2","173.15","","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C31 H41 F12 N7 P2 Pd -","- C31 H41 F12 N7 P2 Pd -","- C124 H164 F48 N28 P8 Pd4 -","4","1","","Gardiner, Michael G.; McGuinness, David S.; Vanston, Catriona R.","Chelated bis(NHC) complexes of saturated (imidazolin-2-ylidene) NHC ligands: structural authentication and facile ligand fragmentation.","Dalton transactions (Cambridge, England : 2003)","2017","46","9","3051","3058","10.1039/c7dt00327g","","","0.7107","Synchrotron","","0.1221","0.1173","","","0.3132","0.3158","","","","","","1.094","","","","has coordinates","193839","2020-10-21","18:00:00",""
"7042020","28.283","0.006","14.081","0.001","12.991","0.001","90","","102.1","0.01","90","","5058.8","1.2","173","2","173.15","","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C24 H32 Br2 N4 Pd -","- C24 H32 Br2 N4 Pd -","- C192 H256 Br16 N32 Pd8 -","8","1","","Gardiner, Michael G.; McGuinness, David S.; Vanston, Catriona R.","Chelated bis(NHC) complexes of saturated (imidazolin-2-ylidene) NHC ligands: structural authentication and facile ligand fragmentation.","Dalton transactions (Cambridge, England : 2003)","2017","46","9","3051","3058","10.1039/c7dt00327g","","","0.7107","Synchrotron","","0.0502","0.041","","","0.1022","0.1071","","","","","","1.098","","","","has coordinates","193839","2020-10-21","18:00:00",""
"7042021","10.721","0.002","20.8","0.002","15.02","0.002","90","","110.83","0.01","90","","3130.5","0.8","173","2","173.15","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C27 H36 I3 N5 Pd -","- C27 H36 I3 N5 Pd -","- C108 H144 I12 N20 Pd4 -","4","1","","Gardiner, Michael G.; McGuinness, David S.; Vanston, Catriona R.","Chelated bis(NHC) complexes of saturated (imidazolin-2-ylidene) NHC ligands: structural authentication and facile ligand fragmentation.","Dalton transactions (Cambridge, England : 2003)","2017","46","9","3051","3058","10.1039/c7dt00327g","","","0.7107","Synchrotron","","0.0918","0.0557","","","0.1254","0.1425","","","","","","1.021","","","","has coordinates,has disorder","193839","2020-10-21","18:00:00",""
"7042022","8.8558","0.0002","11.7308","0.0003","14.0161","0.0004","68.898","0.001","87.959","0.001","75.968","0.001","1315.74","0.06","100","2","99.89","","","","","","","","","5","P -1","-P 1","2","","","","- C24 H32 I2 N4 Pd -","- C24 H32 I2 N4 Pd -","- C48 H64 I4 N8 Pd2 -","2","1","","Gardiner, Michael G.; McGuinness, David S.; Vanston, Catriona R.","Chelated bis(NHC) complexes of saturated (imidazolin-2-ylidene) NHC ligands: structural authentication and facile ligand fragmentation.","Dalton transactions (Cambridge, England : 2003)","2017","46","9","3051","3058","10.1039/c7dt00327g","","x-ray","1.54178","CuKα","","0.0294","0.0277","","","0.0699","0.0708","","","","","","1.101","","","","has coordinates","193839","2020-10-21","18:00:00",""
"7042023","12.6563","0.0008","17.5897","0.001","20.3134","0.0012","90","","90","","90","","4522.2","0.5","172.3","","172.3","","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C14 H39 B11 N2 O -","- C14 H39 B11 N2 O -","- C112 H312 B88 N16 O8 -","8","1","","Shen, Yunjun; Pan, Yani; Zhang, Kang; Liang, Xuewei; Liu, Jiyong; Spingler, Bernhard; Duttwyler, Simon","B-H functionalization of the monocarba-closo-dodecaborate anion by rhodium and iridium catalysis.","Dalton transactions (Cambridge, England : 2003)","2017","46","10","3135","3140","10.1039/c7dt00269f","","","0.71073","MoKα","","0.0865","0.0581","","","0.1438","0.1609","","","","","","1.041","","","","has coordinates","195066","2020-10-21","18:00:00",""
"7042024","13.0426","0.0007","13.4923","0.0007","13.9657","0.0009","118.275","0.006","95.886","0.005","96.271","0.004","2117.7","0.2","293","2","293.15","","","","","","","","","6","P -1","-P 1","2","","","","- C31 H59 B11 N4 O6 S2 -","- C31 H59 B11 N4 O6 S2 -","- C62 H118 B22 N8 O12 S4 -","2","1","","Shen, Yunjun; Pan, Yani; Zhang, Kang; Liang, Xuewei; Liu, Jiyong; Spingler, Bernhard; Duttwyler, Simon","B-H functionalization of the monocarba-closo-dodecaborate anion by rhodium and iridium catalysis.","Dalton transactions (Cambridge, England : 2003)","2017","46","10","3135","3140","10.1039/c7dt00269f","","","0.71073","MoKα","","0.095","0.061","","","0.1499","0.1767","","","","","","1.038","","","","has coordinates","195066","2020-10-21","18:00:00",""
"7042025","11.7951","0.0008","18.427","0.001","20.4333","0.0016","90","","99.15","0.007","90","","4384.6","0.5","293","2","293.15","","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C31 H53 B11 N4 O7 S3 -","- C31 H53 B11 N4 O7 S3 -","- C124 H212 B44 N16 O28 S12 -","4","1","","Shen, Yunjun; Pan, Yani; Zhang, Kang; Liang, Xuewei; Liu, Jiyong; Spingler, Bernhard; Duttwyler, Simon","B-H functionalization of the monocarba-closo-dodecaborate anion by rhodium and iridium catalysis.","Dalton transactions (Cambridge, England : 2003)","2017","46","10","3135","3140","10.1039/c7dt00269f","","","0.71073","MoKα","","0.1483","0.1074","","","0.3141","0.3609","","","","","","1.3","","","","has coordinates","195066","2020-10-21","18:00:00",""
"7042026","18.6641","0.0007","12.5049","0.0005","20.3898","0.0011","90","","90","","90","","4758.8","0.4","293","2","293.15","","","","","","","","","5","P n a 21","P 2c -2n","33","","","","- C46 H69 B11 N2 O -","- C46 H69 B11 N2 O -","- C184 H276 B44 N8 O4 -","4","1","","Shen, Yunjun; Pan, Yani; Zhang, Kang; Liang, Xuewei; Liu, Jiyong; Spingler, Bernhard; Duttwyler, Simon","B-H functionalization of the monocarba-closo-dodecaborate anion by rhodium and iridium catalysis.","Dalton transactions (Cambridge, England : 2003)","2017","46","10","3135","3140","10.1039/c7dt00269f","","","0.71073","MoKα","","0.0885","0.0604","","","0.1587","0.1824","","","","","","1.018","","","","has coordinates","195066","2020-10-21","18:00:00",""
"7042027","10.3433","0.0007","25.3537","0.0015","18.9697","0.0013","90","","99.089","0.006","90","","4912.2","0.6","293","2","293.15","","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C46 H65 B11 F4 N2 O -","- C46 H65 B11 F4 N2 O -","- C184 H260 B44 F16 N8 O4 -","4","1","","Shen, Yunjun; Pan, Yani; Zhang, Kang; Liang, Xuewei; Liu, Jiyong; Spingler, Bernhard; Duttwyler, Simon","B-H functionalization of the monocarba-closo-dodecaborate anion by rhodium and iridium catalysis.","Dalton transactions (Cambridge, England : 2003)","2017","46","10","3135","3140","10.1039/c7dt00269f","","","0.71073","MoKα","","0.153","0.0744","","","0.192","0.2466","","","","","","1.033","","","","has coordinates","195066","2020-10-21","18:00:00",""
"7042028","12.7414","0.0007","18.7111","0.0014","20.5954","0.0013","90","","90","","90","","4910.1","0.6","293","2","293.15","","","","","","","","","6","P b c a","-P 2ac 2ab","61","","","","- C14 H38 B11 Br N2 O -","- C14 H38 B11 Br N2 O -","- C112 H304 B88 Br8 N16 O8 -","8","1","","Shen, Yunjun; Pan, Yani; Zhang, Kang; Liang, Xuewei; Liu, Jiyong; Spingler, Bernhard; Duttwyler, Simon","B-H functionalization of the monocarba-closo-dodecaborate anion by rhodium and iridium catalysis.","Dalton transactions (Cambridge, England : 2003)","2017","46","10","3135","3140","10.1039/c7dt00269f","","","0.71073","MoKα","","0.092","0.0557","","","0.1397","0.1632","","","","","","1.027","","","","has coordinates","195066","2020-10-21","18:00:00",""
"7042029","10.5179","0.0011","17.071","0.002","27.284","0.003","90","","90","","90","","4898.9","0.9","293","2","293.15","","","","","","","","","6","P b c a","-P 2ac 2ab","61","","","","- C14 H38 B11 Cl N2 O -","- C14 H38 B11 Cl N2 O -","- C112 H304 B88 Cl8 N16 O8 -","8","1","","Shen, Yunjun; Pan, Yani; Zhang, Kang; Liang, Xuewei; Liu, Jiyong; Spingler, Bernhard; Duttwyler, Simon","B-H functionalization of the monocarba-closo-dodecaborate anion by rhodium and iridium catalysis.","Dalton transactions (Cambridge, England : 2003)","2017","46","10","3135","3140","10.1039/c7dt00269f","","","0.71073","MoKα","","0.2063","0.137","","","0.385","0.4423","","","","","","1.399","","","","has coordinates,has disorder","195066","2020-10-21","18:00:00",""
"7042030","15.7074","0.0016","17.9799","0.0016","16.5251","0.0016","90","","98.384","0.009","90","","4617.1","0.8","293","2","293","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C34 H69 B11 N2 O9 -","- C34 H67.072 B11 N2 O9 -","- C136 H268.288 B44 N8 O36 -","4","1","","Shen, Yunjun; Pan, Yani; Zhang, Kang; Liang, Xuewei; Liu, Jiyong; Spingler, Bernhard; Duttwyler, Simon","B-H functionalization of the monocarba-closo-dodecaborate anion by rhodium and iridium catalysis.","Dalton transactions (Cambridge, England : 2003)","2017","46","10","3135","3140","10.1039/c7dt00269f","","","0.71073","MoKα","","0.2048","0.1015","","","0.2977","0.3875","","","","","","1.043","","","","has coordinates,has disorder","195066","2020-10-21","18:00:00",""
"7042031","15.7123","0.0011","18.5073","0.0011","21.4306","0.0019","90","","129.407","0.005","90","","4815.1","0.7","293","2","293.15","","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C34 H68 B11 Br N2 O9 -","- C34 H68 B11 Br N2 O9 -","- C136 H272 B44 Br4 N8 O36 -","4","1","","Shen, Yunjun; Pan, Yani; Zhang, Kang; Liang, Xuewei; Liu, Jiyong; Spingler, Bernhard; Duttwyler, Simon","B-H functionalization of the monocarba-closo-dodecaborate anion by rhodium and iridium catalysis.","Dalton transactions (Cambridge, England : 2003)","2017","46","10","3135","3140","10.1039/c7dt00269f","","","0.71073","MoKα","","0.1663","0.0834","","","0.216","0.2746","","","","","","1.028","","","","has coordinates","195066","2020-10-21","18:00:00",""
"7042032","15.4017","0.0007","14.6479","0.0006","11.4845","0.0005","90","","102.683","0.005","90","","2527.7","0.2","293","2","293.15","","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C18 H36 B11 Ir N2 O -","- C18 H36 B11 Ir N2 O -","- C72 H144 B44 Ir4 N8 O4 -","4","1","","Shen, Yunjun; Pan, Yani; Zhang, Kang; Liang, Xuewei; Liu, Jiyong; Spingler, Bernhard; Duttwyler, Simon","B-H functionalization of the monocarba-closo-dodecaborate anion by rhodium and iridium catalysis.","Dalton transactions (Cambridge, England : 2003)","2017","46","10","3135","3140","10.1039/c7dt00269f","","","0.71073","MoKα","","0.0405","0.029","","","0.0613","0.0664","","","","","","1.049","","","","has coordinates","195066","2020-10-21","18:00:00",""
"7042033","9.3495","0.0006","18.1075","0.0009","25.4205","0.0011","90","","94.671","0.005","90","","4289.3","0.4","293","2","293.15","","","","","","","","","6","C 1 c 1","C -2yc","9","","","","- C44 H49 B11 N O P -","- C44 H49 B11 N O P -","- C176 H196 B44 N4 O4 P4 -","4","1","","Shen, Yunjun; Pan, Yani; Zhang, Kang; Liang, Xuewei; Liu, Jiyong; Spingler, Bernhard; Duttwyler, Simon","B-H functionalization of the monocarba-closo-dodecaborate anion by rhodium and iridium catalysis.","Dalton transactions (Cambridge, England : 2003)","2017","46","10","3135","3140","10.1039/c7dt00269f","","","0.71073","MoKα","","0.0505","0.0419","","","0.0922","0.0978","","","","","","1.018","","","","has coordinates","195066","2020-10-21","18:00:00",""
"7042034","31.236","0.004","31.236","0.004","28.194","0.005","90","","90","","90","","27509","7","296","2","296","2","","","","","","","","6","P 42/m b c","-P 4c 2ab","135","","JLU-Liu39","","- C72 H112 Cu5 N14 O32 S3 -","- C38 H22 Cu5 N2 O23 S3 -","- C304 H176 Cu40 N16 O184 S24 -","8","0.5","","Yao, Shuo; Xu, Tong; Zhao, Nian; Zhang, Lirong; Huo, Qisheng; Liu, Yunling","An anionic metal-organic framework with ternary building units for rapid and selective adsorption of dyes.","Dalton transactions (Cambridge, England : 2003)","2017","46","10","3332","3337","10.1039/c7dt00192d","","","0.71073","MoKα","","0.1429","0.0612","","","0.1981","0.2953","","","","","","0.982","","","","has coordinates,has disorder","195051","2020-10-21","18:00:00",""
"7042035","9.3381","0.0003","10.5549","0.0003","14.4495","0.0005","86.528","0.003","78.566","0.003","74.437","0.003","1344.7","0.08","150","2","150","2","","","","","","","","5","P -1","-P 1","2","","racemic S,S-Bis(2-hydroxypropylthio) (ethylenedithio)tetrathiafulvalene. triodide.","","- C14 H18 I4 O2 S8 -","- C14 H18 I4 O2 S8 -","- C28 H36 I8 O4 S16 -","2","1","","Martin, Lee; Wallis, John D.; Guziak, Milena; Maksymiw, Peter; Konalian-Kempf, Florence; Christian, Anthony; Nakatsuji, Shin'ichi; Yamada, Jun'ichi; Akutsu, Hiroki","Enantiopure and racemic radical-cation salts of bis(2'-hydroxylpropylthio)(ethylenedithio)TTF with polyiodide anions.","Dalton transactions (Cambridge, England : 2003)","2017","46","13","4225","4234","10.1039/c6dt04645b","","x-ray","0.71073","MoKα","","0.0667","0.051","","","0.1158","0.1259","","","","","","1.119","","","","has coordinates,has disorder","195084","2020-10-21","18:00:00",""
"7042036","9.7612","0.001","10.9021","0.0019","13.4544","0.0015","80.71","0.014","69.632","0.011","75.476","0.013","1295","0.3","294","2","294","2","","","","","","","","5","P 1","P 1","1","","S,S-Bis(2-hydroxypropylthio)(ethylenedithio) tetrathiafulvalene.triodide. Insulating phase","","- C14 H18 I3 O2 S8 -","- C14 H18 I3 O2 S8 -","- C28 H36 I6 O4 S16 -","2","2","","Martin, Lee; Wallis, John D.; Guziak, Milena; Maksymiw, Peter; Konalian-Kempf, Florence; Christian, Anthony; Nakatsuji, Shin'ichi; Yamada, Jun'ichi; Akutsu, Hiroki","Enantiopure and racemic radical-cation salts of bis(2'-hydroxylpropylthio)(ethylenedithio)TTF with polyiodide anions.","Dalton transactions (Cambridge, England : 2003)","2017","46","13","4225","4234","10.1039/c6dt04645b","","","0.71075","MoKα","","0.0932","0.0471","","","0.0906","0.1122","","","","","","0.963","","","","has coordinates,has disorder","195084","2020-10-21","18:00:00",""
"7042037","9.9238","0.0005","15.8805","0.0007","24.2594","0.001","91.3","0.004","101.304","0.004","95.309","0.004","3729.6","0.3","155","2","155","2","","","","","","","","5","P 1","P 1","1","","R,R-Bis(2-hydroxypropylthio)(ethylenedithio) tetrathiafulvalene.triodide. Semiconducting phase, Z=6","","- C14 H18 I3 O2 S8 -","- C14 H18 I3 O2 S8 -","- C84 H108 I18 O12 S48 -","6","6","","Martin, Lee; Wallis, John D.; Guziak, Milena; Maksymiw, Peter; Konalian-Kempf, Florence; Christian, Anthony; Nakatsuji, Shin'ichi; Yamada, Jun'ichi; Akutsu, Hiroki","Enantiopure and racemic radical-cation salts of bis(2'-hydroxylpropylthio)(ethylenedithio)TTF with polyiodide anions.","Dalton transactions (Cambridge, England : 2003)","2017","46","13","4225","4234","10.1039/c6dt04645b","","","0.71075","MoKα","","0.0801","0.0636","","","0.1125","0.122","","","","","","1.055","","","","has coordinates,has disorder","195084","2020-10-21","18:00:00",""
"7042038","10.015","0.003","16.004","0.004","24.666","0.006","91.869","0.006","100.996","0.007","95.386","0.008","3858.6","1.8","293","2","293","2","","","","","","","","5","P 1","P 1","1","","S,S-Bis(2-hydroxypropylthio)(ethylenedithio)tetrathiafulvalene.triodide. Semiconducting phase, Z=6","","- C14 H18 I3 O2 S8 -","- C14 H18 I3 O2 S8 -","- C84 H108 I18 O12 S48 -","6","6","","Martin, Lee; Wallis, John D.; Guziak, Milena; Maksymiw, Peter; Konalian-Kempf, Florence; Christian, Anthony; Nakatsuji, Shin'ichi; Yamada, Jun'ichi; Akutsu, Hiroki","Enantiopure and racemic radical-cation salts of bis(2'-hydroxylpropylthio)(ethylenedithio)TTF with polyiodide anions.","Dalton transactions (Cambridge, England : 2003)","2017","46","13","4225","4234","10.1039/c6dt04645b","","","0.710747","MoKα","","0.1079","0.0645","","","0.166","0.2064","","","","","","1.071","","","","has coordinates,has disorder","195084","2020-10-21","18:00:00",""
"7042039","9.591","0.004","11.061","0.005","14.298","0.006","101.685","0.004","104.936","0.006","101.288","0.007","1385","1","294","2","294","2","","","","","","","","5","P 1","P 1","1","","(S,S-Bis(2-hydroxypropylthio)(ethylenedithio) tetrathiafulvalene)2.octa-iodide. Insulating phase","","- C28 H36 I8 O4 S16 -","- C28 H36 I8 O4 S16 -","- C28 H36 I8 O4 S16 -","1","1","","Martin, Lee; Wallis, John D.; Guziak, Milena; Maksymiw, Peter; Konalian-Kempf, Florence; Christian, Anthony; Nakatsuji, Shin'ichi; Yamada, Jun'ichi; Akutsu, Hiroki","Enantiopure and racemic radical-cation salts of bis(2'-hydroxylpropylthio)(ethylenedithio)TTF with polyiodide anions.","Dalton transactions (Cambridge, England : 2003)","2017","46","13","4225","4234","10.1039/c6dt04645b","","","0.71075","MoKα","","0.0959","0.0618","","","0.1719","0.2094","","","","","","1.071","","","","has coordinates","195084","2020-10-21","18:00:00",""
"7042040","23.635","0.006","23.635","0.006","34.987","0.013","90","","90","","120","","16926","9","293","2","293","2","","","","","","","","7","R -3 c :H","-R 3 2""c","167","","","","- C54 H108 K3 N6 O18 Pd12 Sb21 -","- C54 H108 K3 N6 O18 Pd12 Sb21 -","- C324 H648 K18 N36 O108 Pd72 Sb126 -","6","0.166667","","Li, Zhenyu; Ruan, Huapeng; Wang, Lulu; Liu, Caiping; Xu, Li","Counterion-induced crystallization of intermetalloid Matryoshka clusters [Sb@Pd12@Sb20](3-,4).","Dalton transactions (Cambridge, England : 2003)","2017","46","11","3453","3456","10.1039/c7dt00342k","","","0.71073","MoKα","","0.076","0.0739","","","0.1699","0.1718","","","","","","1.232","","","","has coordinates","195109","2020-10-21","18:00:00",""
"7042041","29.59","0.002","29.59","0.002","29.59","0.002","90","","90","","90","","25908","3","293","2","293","2","","","","","","","","7","P a -3","-P 2ac 2ab 3","205","","","","- C108 H216 K8 N12 O48 Pd24 Sb42 -","- C108 H216 K8 N12 O48 Pd24 Sb42 -","- C432 H864 K32 N48 O192 Pd96 Sb168 -","4","0.166667","","Li, Zhenyu; Ruan, Huapeng; Wang, Lulu; Liu, Caiping; Xu, Li","Counterion-induced crystallization of intermetalloid Matryoshka clusters [Sb@Pd12@Sb20](3-,4).","Dalton transactions (Cambridge, England : 2003)","2017","46","11","3453","3456","10.1039/c7dt00342k","","","0.71073","MoKα","","0.0759","0.0745","","","0.1894","0.1906","","","","","","1.286","","","","has coordinates","195109","2020-10-21","18:00:00",""
"7042042","11.07389","0.0001","19.2629","0.0002","17.40893","0.00015","90","","106.02","0.0009","90","","3569.38","0.06","150","0.1","150","0.1","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C34 H43 Cl2 F4 N2 Sb -","- C34 H43 Cl2 F4 N2 Sb -","- C136 H172 Cl8 F16 N8 Sb4 -","4","1","","Alič, Blaž; Štefančič, Aleš; Tavčar, Gašper","Small molecule activation: SbF3 auto-ionization supported by transfer and mesoionic NHC rearrangement.","Dalton transactions (Cambridge, England : 2003)","2017","46","10","3338","3346","10.1039/c6dt04909e","","x-ray","1.54184","CuKα","","0.0598","0.0562","","","0.1547","0.159","","","","","","1.046","","","","has coordinates","195061","2020-10-21","18:00:00",""
"7042043","21.3988","0.0004","13.5732","0.0003","10.4153","0.0002","90","","90","","90","","3025.13","0.11","150","","150","","","","","","","","","5","P n m a","-P 2ac 2n","62","","","","- C29 H40 F4 N3 Sb -","- C29 H40 F4 N3 Sb -","- C116 H160 F16 N12 Sb4 -","4","0.5","","Alič, Blaž; Štefančič, Aleš; Tavčar, Gašper","Small molecule activation: SbF3 auto-ionization supported by transfer and mesoionic NHC rearrangement.","Dalton transactions (Cambridge, England : 2003)","2017","46","10","3338","3346","10.1039/c6dt04909e","","x-ray","1.54184","CuKα","","0.0599","0.0593","","","0.1478","0.148","","","","","","1.213","","","","has coordinates,has disorder","195061","2020-10-21","18:00:00",""
"7042044","10.5992","0.0001","15.5739","0.0002","19.6928","0.0002","112.66","0.001","95.754","0.001","90.099","0.001","2981.78","0.06","150","0.1","150","0.1","","","","","","","","5","P -1","-P 1","2","","","","- C60 H78 F6 N4 Sb2 -","- C60 H78 F6 N4 Sb2 -","- C120 H156 F12 N8 Sb4 -","2","1","","Alič, Blaž; Štefančič, Aleš; Tavčar, Gašper","Small molecule activation: SbF3 auto-ionization supported by transfer and mesoionic NHC rearrangement.","Dalton transactions (Cambridge, England : 2003)","2017","46","10","3338","3346","10.1039/c6dt04909e","","x-ray","1.54184","CuKα","","0.0418","0.0402","","","0.107","0.1084","","","","","","1.047","","","","has coordinates,has disorder","195061","2020-10-21","18:00:00",""
"7042045","5.9966","0.0001","27.9637","0.0003","6.4187","0.0001","90","","106.031","0.001","90","","1034.48","0.03","149.98","0.11","149.98","0.11","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C6 H16 F3 N2 Sb -","- C6 H16 F3 N2 Sb -","- C24 H64 F12 N8 Sb4 -","4","1","","Alič, Blaž; Štefančič, Aleš; Tavčar, Gašper","Small molecule activation: SbF3 auto-ionization supported by transfer and mesoionic NHC rearrangement.","Dalton transactions (Cambridge, England : 2003)","2017","46","10","3338","3346","10.1039/c6dt04909e","","x-ray","1.54184","CuKα","","0.0245","0.0241","","","0.0632","0.0634","","","","","","1.163","","","","has coordinates","195061","2020-10-21","18:00:00",""
"7042046","11.5327","0.0005","17.2702","0.0009","17.4391","0.0009","60.82","0.005","71.422","0.004","72.941","0.004","2834.3","0.3","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","","","- C81 H112 Cl2 Fe12 O48 -","- C81 H108 Cl2 Fe12 O48 -","- C81 H108 Cl2 Fe12 O48 -","1","0.5","","Kitos, Alexandros A.; Papatriantafyllopoulou, Constantina; Tasiopoulos, Anastasios J.; Perlepes, Spyros P.; Escuer, Albert; Nastopoulos, Vassilios","Binding of ligands containing carbonyl and phenol groups to iron(iii): new Fe6, Fe10 and Fe12 coordination clusters.","Dalton transactions (Cambridge, England : 2003)","2017","46","10","3240","3251","10.1039/c6dt04830g","","","0.71073","MoKα","","0.1015","0.0658","","","0.1903","0.2242","","","","","","1.056","","","","has coordinates","195054","2020-10-21","18:00:00",""
"7042047","11.0455","0.0011","13.9295","0.0011","16.0391","0.0014","96.034","0.007","108.589","0.008","108.143","0.008","2164.7","0.4","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","","","- C67 H104 Fe10 N2 O41 -","- C67 H103 Fe10 N2 O41 -","- C67 H103 Fe10 N2 O41 -","1","0.5","","Kitos, Alexandros A.; Papatriantafyllopoulou, Constantina; Tasiopoulos, Anastasios J.; Perlepes, Spyros P.; Escuer, Albert; Nastopoulos, Vassilios","Binding of ligands containing carbonyl and phenol groups to iron(iii): new Fe6, Fe10 and Fe12 coordination clusters.","Dalton transactions (Cambridge, England : 2003)","2017","46","10","3240","3251","10.1039/c6dt04830g","","","0.71073","MoKα","","0.111","0.0729","","","0.1905","0.2355","","","","","","1.007","","","","has coordinates","195054","2020-10-21","18:00:00",""
"7042048","11.4235","0.0006","13.8876","0.0009","14.47","0.0007","75.758","0.005","71.129","0.005","69.329","0.006","2009.7","0.2","100","2","100","2","","","","","","","","4","P -1","-P 1","2","","","","- C68 H70 Fe6 O24 -","- C68 H68 Fe6 O24 -","- C68 H68 Fe6 O24 -","1","0.5","","Kitos, Alexandros A.; Papatriantafyllopoulou, Constantina; Tasiopoulos, Anastasios J.; Perlepes, Spyros P.; Escuer, Albert; Nastopoulos, Vassilios","Binding of ligands containing carbonyl and phenol groups to iron(iii): new Fe6, Fe10 and Fe12 coordination clusters.","Dalton transactions (Cambridge, England : 2003)","2017","46","10","3240","3251","10.1039/c6dt04830g","","","0.71073","MoKα","","0.0866","0.0602","","","0.1501","0.1701","","","","","","1.026","","","","has coordinates,has disorder","195054","2020-10-21","18:00:00",""
"7042049","10.4131","0.0009","15.8853","0.0014","15.9163","0.0014","72.941","0.008","79.233","0.008","71.106","0.009","2369","0.4","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","","","- C68 H86 Cl4 Fe10 O28 -","- C68 H86 Cl4 Fe10 O28 -","- C68 H86 Cl4 Fe10 O28 -","1","0.5","","Kitos, Alexandros A.; Papatriantafyllopoulou, Constantina; Tasiopoulos, Anastasios J.; Perlepes, Spyros P.; Escuer, Albert; Nastopoulos, Vassilios","Binding of ligands containing carbonyl and phenol groups to iron(iii): new Fe6, Fe10 and Fe12 coordination clusters.","Dalton transactions (Cambridge, England : 2003)","2017","46","10","3240","3251","10.1039/c6dt04830g","","","0.71073","MoKα","","0.1235","0.0828","","","0.2211","0.2639","","","","","","1.031","","","","has coordinates,has disorder","195054","2020-10-21","18:00:00",""
"7042050","27.692","0.003","17.496","0.002","27.706","0.004","90","","116.695","0.011","90","","11993","3","100","2","100","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C103 H110 Cl2 Fe10 N2 O39 -","- C103 H109 Cl2 Fe10 N2 O39 -","- C412 H436 Cl8 Fe40 N8 O156 -","4","0.5","","Kitos, Alexandros A.; Papatriantafyllopoulou, Constantina; Tasiopoulos, Anastasios J.; Perlepes, Spyros P.; Escuer, Albert; Nastopoulos, Vassilios","Binding of ligands containing carbonyl and phenol groups to iron(iii): new Fe6, Fe10 and Fe12 coordination clusters.","Dalton transactions (Cambridge, England : 2003)","2017","46","10","3240","3251","10.1039/c6dt04830g","","","0.71073","MoKα","","0.0919","0.0718","","","0.2048","0.222","","","","","","1.105","","","","has coordinates,has disorder","195054","2020-10-21","18:00:00",""
"7042051","18.1581","0.0005","10.2051","0.0004","14.2066","0.0007","90","","94.406","0.003","90","","2624.78","0.18","100","","100","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C27 H35 Br N2 Ni -","- C27 H35 Br N2 Ni -","- C108 H140 Br4 N8 Ni4 -","4","1","","Buchowicz, Włodzimierz; Banach, Łukasz; Kamiński, Radosław; Buchalski, Piotr","Axially chiral racemic half-sandwich nickel(ii) complexes by ring-closing metathesis.","Dalton transactions (Cambridge, England : 2003)","2017","46","12","3805","3808","10.1039/c6dt04811k","","x-ray","0.71073","MoKα","","0.0985","0.0422","","","0.0383","0.0463","","","","1.25","1.25","1.15","","","","has coordinates","195122","2020-10-21","18:00:00",""
"7042052","11.6986","0.0016","12.2855","0.0017","12.3121","0.0017","60.8915","0.0018","82.3538","0.0018","80.5794","0.0016","1522.3","0.4","112","","112","","","","","","","","","6","P -1","-P 1","2","","","","- C31 H45 Br N2 Ni O -","- C31 H45 Br N2 Ni O -","- C62 H90 Br2 N4 Ni2 O2 -","2","1","","Buchowicz, Włodzimierz; Banach, Łukasz; Kamiński, Radosław; Buchalski, Piotr","Axially chiral racemic half-sandwich nickel(ii) complexes by ring-closing metathesis.","Dalton transactions (Cambridge, England : 2003)","2017","46","12","3805","3808","10.1039/c6dt04811k","","x-ray","0.71073","MoKα","","0.0729","0.0419","","","0.0469","0.0483","","","","","","1.77","","","","has coordinates","195122","2020-10-21","18:00:00",""
"7042053","14.4946","0.0005","15.8228","0.0005","16.5676","0.0005","98.766","0.001","102.554","0.001","96.958","0.001","3618.4","0.2","100","2","100","1","","","","","","","","5","P -1","-P 1","2","","","","- C80 H84 N4 O8 U2 -","- C80.82 H62 N8 O7.83 U2 -","- C161.64 H124 N16 O15.66 U4 -","2","1","","Bolotaulo, Duer; Metta-Magaña, Alejandro; Fortier, Skye","F-element metalated dipyrrins: synthesis and characterization of a family of uranyl bis(dipyrrinate) complexes.","Dalton transactions (Cambridge, England : 2003)","2017","46","10","3284","3294","10.1039/c7dt00150a","","","0.71073","MoKα","","0.0763","0.0456","","","0.1109","0.1339","","","","","","1.045","","","","has coordinates,has disorder","195060","2020-10-21","18:00:00",""
"7042054","9.3522","0.0006","26.9204","0.0016","18.8537","0.0011","90","","102.963","0.001","90","","4625.7","0.5","100","2","100","1","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C56 H73 N6 O3 U -","- C50 H44 N6 O3 U -","- C200 H176 N24 O12 U4 -","4","1","","Bolotaulo, Duer; Metta-Magaña, Alejandro; Fortier, Skye","F-element metalated dipyrrins: synthesis and characterization of a family of uranyl bis(dipyrrinate) complexes.","Dalton transactions (Cambridge, England : 2003)","2017","46","10","3284","3294","10.1039/c7dt00150a","","","0.71073","MoKα","","0.0679","0.0538","","","0.1081","0.1118","","","","","","1.258","","","","has coordinates","195060","2020-10-21","18:00:00",""
"7042055","14.5004","0.0007","16.3863","0.0008","16.7499","0.0009","99.051","0.001","103.857","0.001","98.033","0.001","3750.1","0.3","150","2","150","1","","","","","","","","5","P -1","-P 1","2","","","","- C90 H78 N8 O11 U2 -","- C83 H68 N8 O11 U2 -","- C166 H136 N16 O22 U4 -","2","1","","Bolotaulo, Duer; Metta-Magaña, Alejandro; Fortier, Skye","F-element metalated dipyrrins: synthesis and characterization of a family of uranyl bis(dipyrrinate) complexes.","Dalton transactions (Cambridge, England : 2003)","2017","46","10","3284","3294","10.1039/c7dt00150a","","","0.71073","MoKα","","0.0659","0.0404","","","0.1032","0.1158","","","","","","1.05","","","","has coordinates","195060","2020-10-21","18:00:00",""
"7042056","20.5164","0.0008","20.5164","0.0008","16.8469","0.0007","90","","90","","120","","6141.2","0.4","100","2","100","1","","","","","","","","6","P -3 c 1","-P 3 2""c","165","","","","- C260 H208 Fe12 N16 O18 U6 -","- C266.8 H228 Fe12 N24 O18 U6 -","- C266.8 H228 Fe12 N24 O18 U6 -","1","0.0833333","","Bolotaulo, Duer; Metta-Magaña, Alejandro; Fortier, Skye","F-element metalated dipyrrins: synthesis and characterization of a family of uranyl bis(dipyrrinate) complexes.","Dalton transactions (Cambridge, England : 2003)","2017","46","10","3284","3294","10.1039/c7dt00150a","","","0.71073","MoKα","","0.0516","0.033","","","0.0765","0.0853","","","","","","1.142","","","","has coordinates,has disorder","195060","2020-10-21","18:00:00",""
"7042057","13.3538","0.0006","13.5304","0.0005","16.6261","0.0007","71.257","0.004","88.524","0.004","62.823","0.004","2504.4","0.2","120","2","120","0.1","","","","","","","","6","P -1","-P 1","2","","","","- C57 H48 Mo N8 O3 P2 -","- C57 H48 Mo N8 O3 P2 -","- C114 H96 Mo2 N16 O6 P4 -","2","1","","Mrowiec, A.; Jurowska, A.; Hodorowicz, M.; Szklarzewicz, J.","5-(2-Pyridil)-1H-tetrazole complexes with Mo(iv) and W(iv) cyanides.","Dalton transactions (Cambridge, England : 2003)","2017","46","12","4030","4037","10.1039/c6dt04908g","","","0.7107","MoKα","","0.1398","0.1003","","","0.1828","0.1972","","","","","","1.227","","","","has coordinates,has disorder","195132","2020-10-21","18:00:00",""
"7042058","13.365","0.005","13.484","0.005","16.718","0.005","70.768","0.005","88.204","0.005","63.024","0.005","2510.1","1.5","120","2","125","3","","","","","","","","6","P -1","-P 1","2","","","","- C57 H48 N8 O3.34 P2 W -","- C57 H48 N8 O3.344 P2 W -","- C114 H96 N16 O6.688 P4 W2 -","2","1","","Mrowiec, A.; Jurowska, A.; Hodorowicz, M.; Szklarzewicz, J.","5-(2-Pyridil)-1H-tetrazole complexes with Mo(iv) and W(iv) cyanides.","Dalton transactions (Cambridge, England : 2003)","2017","46","12","4030","4037","10.1039/c6dt04908g","","x-ray","0.71073","MoKα","","0.0556","0.0416","","","0.0784","0.0828","","","","","","1.198","","","","has coordinates,has disorder","195132","2020-10-21","18:00:00",""
"7042059","9.0079","0.0002","13.1369","0.0003","13.2698","0.0002","92.897","0.001","97.673","0.001","90.171","0.001","1554.17","0.05","123","2","123","2","","","","","","","","7","P -1","-P 1","2","","PB-47","","- C30 H23 F6 Ge O7 P W -","- C30 H23 F6 Ge O7 P W -","- C60 H46 F12 Ge2 O14 P2 W2 -","2","1","","Kyri, A. W.; Brehm, P.; Schnakenburg, G.; Streubel, R.","Ring opening of a sterically crowded 1,2-oxaphosphetane complex.","Dalton transactions (Cambridge, England : 2003)","2017","46","9","2904","2909","10.1039/c7dt00136c","","","0.71073","MoKα","","0.0304","0.0263","","","0.0611","0.0628","","","","","","1.059","","","","has coordinates","193833","2020-10-21","18:00:00",""
"7042060","11.7408","0.0005","18.5934","0.0008","20.0735","0.0008","86.722","0.003","74.872","0.002","73.209","0.003","4049.1","0.3","100","","100","","","","","","","","","7","P -1","-P 1","2","","AKY-488-2","","- C38 H39 F6 Li O11.5 P W -","- C38 H39 F6 Li O11.5 P W -","- C152 H156 F24 Li4 O46 P4 W4 -","4","2","","Kyri, A. W.; Brehm, P.; Schnakenburg, G.; Streubel, R.","Ring opening of a sterically crowded 1,2-oxaphosphetane complex.","Dalton transactions (Cambridge, England : 2003)","2017","46","9","2904","2909","10.1039/c7dt00136c","","","0.71073","MoKα","","0.0959","0.047","","","0.1073","0.1261","","","","","","1.009","","","","has coordinates","203412","2020-10-21","18:00:00",""
"7042061","14.539","0.0008","11.5901","0.0006","32.829","0.0018","90","","100.62","0.0019","90","","5437.2","0.5","150","","150","","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","PB-13","","- C28 H17 F6 O6 P W -","- C28 H17 F6 O6 P W -","- C224 H136 F48 O48 P8 W8 -","8","2","","Kyri, A. W.; Brehm, P.; Schnakenburg, G.; Streubel, R.","Ring opening of a sterically crowded 1,2-oxaphosphetane complex.","Dalton transactions (Cambridge, England : 2003)","2017","46","9","2904","2909","10.1039/c7dt00136c","","x-ray","0.71073","MoKα","","0.072","0.0384","","","0.0603","0.0665","","","","","","1.008","","","","has coordinates","193833","2020-10-21","18:00:00",""
"7042062","8.987","0.0003","13.1455","0.0003","13.3173","0.0002","87.0836","0.0015","82.7857","0.0015","89.8868","0.0013","1558.8","0.07","123","","123","","","","","","","","","7","P -1","-P 1","2","","PB-35","","- C30 H23 F6 O7 P Si W -","- C30 H23 F6 O7 P Si W -","- C60 H46 F12 O14 P2 Si2 W2 -","2","1","","Kyri, A. W.; Brehm, P.; Schnakenburg, G.; Streubel, R.","Ring opening of a sterically crowded 1,2-oxaphosphetane complex.","Dalton transactions (Cambridge, England : 2003)","2017","46","9","2904","2909","10.1039/c7dt00136c","","","0.71073","MoKα","","0.0277","0.0249","","","0.0582","0.0598","","","","","","1.025","","","","has coordinates","193833","2020-10-21","18:00:00",""
"7042063","9.0571","0.0005","11.1854","0.0006","16.83","0.001","107.251","0.002","91.186","0.002","104.147","0.002","1570.91","0.15","103","2","103","2","","","","","","","","8","P -1","-P 1","2","","","","- C23 H45 Cl2 Ge N3 O0.5 Si2 Sn -","- C23 H45 Cl2 Ge N3 O0.5 Si2 Sn -","- C46 H90 Cl4 Ge2 N6 O Si4 Sn2 -","2","1","","Shan, Yu-Liang; Leong, Bi-Xiang; Xi, Hong-Wei; Ganguly, Rakesh; Li, Yongxin; Lim, Kok Hwa; So, Cheuk-Wai","Reactivity of an amidinato silylene and germylene toward germanium(ii), tin(ii) and lead(ii) halides.","Dalton transactions (Cambridge, England : 2003)","2017","46","11","3642","3648","10.1039/c7dt00051k","","","0.71073","MoKα","","0.0708","0.0442","","","0.0874","0.0976","","","","","","1.081","","","","has coordinates,has disorder","195113","2020-10-21","18:00:00",""
"7042064","11.043","0.0008","17.9127","0.0012","15.2372","0.001","90","","91.423","0.003","90","","3013.1","0.4","103","2","103","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C21 H41 Br2 N3 Pb Si3 -","- C21 H41 Br2 N3 Pb Si3 -","- C84 H164 Br8 N12 Pb4 Si12 -","4","1","","Shan, Yu-Liang; Leong, Bi-Xiang; Xi, Hong-Wei; Ganguly, Rakesh; Li, Yongxin; Lim, Kok Hwa; So, Cheuk-Wai","Reactivity of an amidinato silylene and germylene toward germanium(ii), tin(ii) and lead(ii) halides.","Dalton transactions (Cambridge, England : 2003)","2017","46","11","3642","3648","10.1039/c7dt00051k","","","0.71073","MoKα","","0.0715","0.0404","","","0.069","0.076","","","","","","1.007","","","","has coordinates","195113","2020-10-21","18:00:00",""
"7042065","10.4822","0.0013","12.7267","0.0014","26.832","0.003","90.404","0.003","90.567","0.003","102.754","0.003","3490.8","0.7","103","2","103","2","","","","","","","","6","P -1","-P 1","2","","","","- C28 H49 Cl2 N3 Si3 Sn -","- C28 H49 Cl2 N3 Si3 Sn -","- C112 H196 Cl8 N12 Si12 Sn4 -","4","2","","Shan, Yu-Liang; Leong, Bi-Xiang; Xi, Hong-Wei; Ganguly, Rakesh; Li, Yongxin; Lim, Kok Hwa; So, Cheuk-Wai","Reactivity of an amidinato silylene and germylene toward germanium(ii), tin(ii) and lead(ii) halides.","Dalton transactions (Cambridge, England : 2003)","2017","46","11","3642","3648","10.1039/c7dt00051k","","","0.71073","MoKα","","0.1434","0.0773","","","0.141","0.1655","","","","","","1.053","","","","has coordinates,has disorder","195113","2020-10-21","18:00:00",""
"7042066","18.7099","0.0014","8.9827","0.0007","18.1042","0.0012","90","","106.594","0.002","90","","2916","0.4","103","2","103","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C21 H41 Cl2 Ge2 N3 Si2 -","- C21 H41 Cl2 Ge2 N3 Si2 -","- C84 H164 Cl8 Ge8 N12 Si8 -","4","1","","Shan, Yu-Liang; Leong, Bi-Xiang; Xi, Hong-Wei; Ganguly, Rakesh; Li, Yongxin; Lim, Kok Hwa; So, Cheuk-Wai","Reactivity of an amidinato silylene and germylene toward germanium(ii), tin(ii) and lead(ii) halides.","Dalton transactions (Cambridge, England : 2003)","2017","46","11","3642","3648","10.1039/c7dt00051k","","","0.71073","MoKα","","0.0645","0.036","","","0.0712","0.0807","","","","","","1.003","","","","has coordinates","195113","2020-10-21","18:00:00",""
"7042067","10.7851","0.0006","12.5254","0.0006","15.0629","0.0007","68.377","0.004","70.048","0.005","71.112","0.005","1731.85","0.17","150","2","150","2","","","","","","","no","5","P -1","-P 1","2","no","complex of decamethylchromocene with metal-free phthalocyanine, dichlorobenzene solvate","","- C76 H64 Cl8 Cr N8 -","- C76 H63.99 Cl8 Cr N8 -","- C76 H63.99 Cl8 Cr N8 -","1","0.5","","Konarev, Dmitri V.; Khasanov, Salavat S.; Ishikawa, Manabu; Otsuka, Akihiro; Yamochi, Hideki; Saito, Gunzi; Lyubovskaya, Rimma N.","Charge transfer complexes of metal-free phthalocyanine radical anions with decamethylmetallocenium cations: (Cp*2Co(+))(H2Pc˙(-))·solvent and (Cp*2Cr(+))(H2Pc˙(-))·4C6H4Cl2.","Dalton transactions (Cambridge, England : 2003)","2017","46","11","3492","3499","10.1039/c7dt00336f","","","0.71073","MoKα","","0.0948","0.0669","","","0.1699","0.1882","","","","","","1.013","","","","has coordinates,has disorder","195104","2020-10-21","18:00:00",""
"7042068","14.339","0.002","18.376","0.003","20.764","0.003","90.13","0.013","101.362","0.014","103.949","0.013","5198.7","1.4","150","1","150","1","","","","","","","no","5","P -1","-P 1","2","no","complex of decamethylcobaltocene with metal-free phthaloyanine, dichlorobenzene, benzonitrile, n-hexane solvate","","- C61.7 H57.65 Cl Co N8.7 -","- C61.7015 H57.6475 Cl1.001 Co N8.7045 -","- C246.806 H230.59 Cl4.004 Co4 N34.818 -","4","2","","Konarev, Dmitri V.; Khasanov, Salavat S.; Ishikawa, Manabu; Otsuka, Akihiro; Yamochi, Hideki; Saito, Gunzi; Lyubovskaya, Rimma N.","Charge transfer complexes of metal-free phthalocyanine radical anions with decamethylmetallocenium cations: (Cp*2Co(+))(H2Pc˙(-))·solvent and (Cp*2Cr(+))(H2Pc˙(-))·4C6H4Cl2.","Dalton transactions (Cambridge, England : 2003)","2017","46","11","3492","3499","10.1039/c7dt00336f","","","0.7107","MoKα","","0.4336","0.1182","","","0.1444","0.2503","","","","","","0.976","","","","has coordinates,has disorder","195104","2020-10-21","18:00:00",""
"7042069","6.4254","0.0011","7.0163","0.0012","15.329","0.003","101.256","0.003","90.381","0.003","108.064","0.003","642.7","0.2","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C26 H26 Cd N4 O8 -","- C26 H26 Cd N4 O8 -","- C26 H26 Cd N4 O8 -","1","0.5","","Rachuri, Yadagiri; Parmar, Bhavesh; Bisht, Kamal Kumar; Suresh, Eringathodi","Solvothermal self-assembly of Cd(2+) coordination polymers with supramolecular networks involving N-donor ligands and aromatic dicarboxylates: synthesis, crystal structure and photoluminescence studies.","Dalton transactions (Cambridge, England : 2003)","2017","46","11","3623","3630","10.1039/c7dt00042a","","","0.71073","MoKα","","0.0284","0.0266","","","0.07","0.0801","","","","","","1.171","","","","has coordinates","195110","2020-10-21","18:00:00",""
"7042070","10.256","0.003","15.191","0.004","17.208","0.004","90","","94.011","0.005","90","","2674.4","1.2","150","2","150","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C23 H23 Br Cd N6 O5 -","- C23 H23 Br Cd N6 O5 -","- C92 H92 Br4 Cd4 N24 O20 -","4","1","","Rachuri, Yadagiri; Parmar, Bhavesh; Bisht, Kamal Kumar; Suresh, Eringathodi","Solvothermal self-assembly of Cd(2+) coordination polymers with supramolecular networks involving N-donor ligands and aromatic dicarboxylates: synthesis, crystal structure and photoluminescence studies.","Dalton transactions (Cambridge, England : 2003)","2017","46","11","3623","3630","10.1039/c7dt00042a","","","0.71073","MoKα","","0.1514","0.0899","","","0.1996","0.2258","","","","","","1.035","","","","has coordinates,has disorder","195110","2020-10-21","18:00:00",""
"7042071","12.3","0.002","27.928","0.005","12.784","0.003","90","","106.028","0.002","90","","4220.8","1.4","173","2","173","2","","","","","","","","6","P 1 21 1","P 2yb","4","16212_Complex-2-H","","","- C42 H64 Ga N4 P3 Rh -","- C42 H64 Ga N4 P3 Rh -","- C168 H256 Ga4 N16 P12 Rh4 -","4","2","","Moore, James T.; Smith, Nicholas E.; Lu, Connie C.","Structure and dynamic NMR behavior of rhodium complexes supported by Lewis acidic group 13 metallatranes.","Dalton transactions (Cambridge, England : 2003)","2017","46","17","5689","5701","10.1039/c6dt04769f","","","0.71073","MoKα","","0.0501","0.0386","","","0.0598","0.0647","","","","","","0.986","","","","has coordinates,has disorder","196409","2020-10-21","18:00:00",""
"7042072","12.3557","0.0013","13.1544","0.0014","14.8942","0.0016","72.211","0.001","79.601","0.001","81.319","0.001","2255.3","0.4","173","2","173","2","","","","","","","","6","P -1","-P 1","2","16139_Complex-2-CH3","","","- C46 H69 Ga N4 P3 Rh -","- C46 H69 Ga N4 P3 Rh -","- C92 H138 Ga2 N8 P6 Rh2 -","2","1","","Moore, James T.; Smith, Nicholas E.; Lu, Connie C.","Structure and dynamic NMR behavior of rhodium complexes supported by Lewis acidic group 13 metallatranes.","Dalton transactions (Cambridge, England : 2003)","2017","46","17","5689","5701","10.1039/c6dt04769f","","","0.71073","MoKα","","0.0463","0.0335","","","0.0726","0.0789","","","","","","1.038","","","","has coordinates,has disorder","196409","2020-10-21","18:00:00",""
"7042073","11.611","0.007","14.168","0.008","14.28","0.008","69.082","0.007","77.64","0.007","82.728","0.007","2140","2","173","2","173","2","","","","","","","","6","P -1","-P 1","2","16232_Complex_1-H","","","- C42 H64 Al N4 P3 Rh -","- C42 H64 Al N4 P3 Rh -","- C84 H128 Al2 N8 P6 Rh2 -","2","1","","Moore, James T.; Smith, Nicholas E.; Lu, Connie C.","Structure and dynamic NMR behavior of rhodium complexes supported by Lewis acidic group 13 metallatranes.","Dalton transactions (Cambridge, England : 2003)","2017","46","17","5689","5701","10.1039/c6dt04769f","","","0.71073","MoKα","","0.0694","0.0489","","","0.1076","0.1189","","","","","","1.028","","","","has coordinates,has disorder","196409","2020-10-21","18:00:00",""
"7042074","12.3599","0.0003","13.5401","0.0003","14.2951","0.0003","67.2469","0.0011","81.64","0.0011","76.0822","0.0012","2137.74","0.09","123","2","123","2","","","","","","","","7","P -1","-P 1","2","16250_Complex-1-CH3","","","- C42.89 H65.68 Al Cl0.11 N4 P3 Rh -","- C42.893 H65.679 Al Cl0.107 N4 P3 Rh -","- C85.786 H131.358 Al2 Cl0.214 N8 P6 Rh2 -","2","1","","Moore, James T.; Smith, Nicholas E.; Lu, Connie C.","Structure and dynamic NMR behavior of rhodium complexes supported by Lewis acidic group 13 metallatranes.","Dalton transactions (Cambridge, England : 2003)","2017","46","17","5689","5701","10.1039/c6dt04769f","","","1.54178","CuKα","","0.0489","0.0446","","","0.1134","0.1168","","","","","","1.059","","","","has coordinates,has disorder","196409","2020-10-21","18:00:00",""
"7042075","12.267","0.0019","26.703","0.004","13.837","0.002","90","","108.349","0.002","90","","4302.1","1.1","173","2","173","2","","","","","","","","7","P 1 21/n 1","-P 2yn","14","14251_Complex-2-Cl","","","- C42 H63 Cl Ga N4 P3 Rh -","- C42 H63 Cl Ga N4 P3 Rh -","- C168 H252 Cl4 Ga4 N16 P12 Rh4 -","4","1","","Moore, James T.; Smith, Nicholas E.; Lu, Connie C.","Structure and dynamic NMR behavior of rhodium complexes supported by Lewis acidic group 13 metallatranes.","Dalton transactions (Cambridge, England : 2003)","2017","46","17","5689","5701","10.1039/c6dt04769f","","","0.71073","MoKα","","0.0962","0.0492","","","0.0987","0.1176","","","","","","1.001","","","","has coordinates,has disorder","196409","2020-10-21","18:00:00",""
"7042076","12.3569","0.0019","13.627","0.002","14.305","0.002","66.376","0.002","81.629","0.002","75.031","0.002","2129.6","0.5","173","2","173","2","","","","","","","","7","P -1","-P 1","2","16180_Complex-1-Cl","","","- C42 H63 Al Cl N4 P3 Rh -","- C42 H63 Al Cl N4 P3 Rh -","- C84 H126 Al2 Cl2 N8 P6 Rh2 -","2","1","","Moore, James T.; Smith, Nicholas E.; Lu, Connie C.","Structure and dynamic NMR behavior of rhodium complexes supported by Lewis acidic group 13 metallatranes.","Dalton transactions (Cambridge, England : 2003)","2017","46","17","5689","5701","10.1039/c6dt04769f","","","0.71073","MoKα","","0.0293","0.0254","","","0.0645","0.0671","","","","","","1.038","","","","has coordinates,has disorder","196409","2020-10-21","18:00:00",""
"7042077","10.60258","0.00011","12.35957","0.00011","26.4031","0.0003","90","","92.8039","0.0009","90","","3455.81","0.06","100","0.1","100","0.1","","","","","","","synthesis as described","7","P 1 21/c 1","-P 2ybc","14","","","","- C32 H32 Cl F6 N6 P Ru -","- C32 H32 Cl F6 N6 P Ru -","- C128 H128 Cl4 F24 N24 P4 Ru4 -","4","1","","Telleria, A.; van Leeuwen, P. W. N. M.; Freixa, Z.","Azobenzene-based ruthenium(ii) catalysts for light-controlled hydrogen generation.","Dalton transactions (Cambridge, England : 2003)","2017","46","11","3569","3578","10.1039/c7dt00542c","","x-ray","0.71073","MoKα","","0.0504","0.0379","","","0.0891","0.0967","","","","","","1.063","","","","has coordinates,has disorder","195115","2020-10-21","18:00:00",""
"7042078","5.5944","0.0019","11.113","0.004","17.803","0.006","74.157","0.006","85.854","0.006","78.605","0.005","1043.6","0.6","294","2","294","2","","","","","","","","7","P -1","-P 1","2","","","","- C19 H19 F6 Hg N O S -","- C19 H19 F6 Hg N O S -","- C38 H38 F12 Hg2 N2 O2 S2 -","2","1","","Pop, Alexandra; Bellini, Clément; Şuteu, Răzvan; Dorcet, Vincent; Roisnel, Thierry; Carpentier, Jean-François; Silvestru, Anca; Sarazin, Yann","Cadmium complexes bearing (Me2)N^E^O(-) (E = S, Se) organochalcogenoalkoxides and their zinc and mercury analogues.","Dalton transactions (Cambridge, England : 2003)","2017","46","10","3179","3191","10.1039/c7dt00279c","","","0.71073","MoKα","","0.0907","0.0528","","","0.0699","0.08","","","","","","0.924","","","","has coordinates","195050","2020-10-21","18:00:00",""
"7042079","9.9892","0.0003","10.828","0.0003","13.9517","0.0004","92.817","0.001","90.063","0.001","97.451","0.001","1494.47","0.07","150","2","150","2","","","","","","","synthesis as described","8","P -1","-P 1","2","","","","- C19 H32 Cd F6 N2 O S Si2 -","- C19 H32 Cd F6 N2 O S Si2 -","- C38 H64 Cd2 F12 N4 O2 S2 Si4 -","2","1","","Pop, Alexandra; Bellini, Clément; Şuteu, Răzvan; Dorcet, Vincent; Roisnel, Thierry; Carpentier, Jean-François; Silvestru, Anca; Sarazin, Yann","Cadmium complexes bearing (Me2)N^E^O(-) (E = S, Se) organochalcogenoalkoxides and their zinc and mercury analogues.","Dalton transactions (Cambridge, England : 2003)","2017","46","10","3179","3191","10.1039/c7dt00279c","","x-ray","0.71073","MoKα","","0.0305","0.0259","","","0.0667","0.0688","","","","","","1.043","","","","has coordinates","195050","2020-10-21","18:00:00",""
"7042080","9.1925","0.0006","12.6472","0.0008","12.9189","0.001","96.46","0.004","109.961","0.003","111.277","0.003","1266.67","0.16","150","2","150","2","","","","","","","synthesis as described","7","P -1","-P 1","2","","","","- C19 H38 N2 O Se Si2 Zn -","- C19 H38 N2 O Se Si2 Zn -","- C38 H76 N4 O2 Se2 Si4 Zn2 -","2","1","","Pop, Alexandra; Bellini, Clément; Şuteu, Răzvan; Dorcet, Vincent; Roisnel, Thierry; Carpentier, Jean-François; Silvestru, Anca; Sarazin, Yann","Cadmium complexes bearing (Me2)N^E^O(-) (E = S, Se) organochalcogenoalkoxides and their zinc and mercury analogues.","Dalton transactions (Cambridge, England : 2003)","2017","46","10","3179","3191","10.1039/c7dt00279c","","x-ray","0.71073","MoKα","","0.0465","0.0336","","","0.0838","0.0897","","","","","","1.039","","","","has coordinates","195050","2020-10-21","18:00:00",""
"7042081","10.0125","0.0003","10.4618","0.0003","15.7074","0.0003","91.4789","0.0009","96.5048","0.0009","109.043","0.001","1541.82","0.07","150","2","150","2","","","","","","","synthesis as described","7","P -1","-P 1","2","","","","- C26 H28 F12 Hg N2 O2 S2 -","- C26 H28 F12 Hg N2 O2 S2 -","- C52 H56 F24 Hg2 N4 O4 S4 -","2","1","","Pop, Alexandra; Bellini, Clément; Şuteu, Răzvan; Dorcet, Vincent; Roisnel, Thierry; Carpentier, Jean-François; Silvestru, Anca; Sarazin, Yann","Cadmium complexes bearing (Me2)N^E^O(-) (E = S, Se) organochalcogenoalkoxides and their zinc and mercury analogues.","Dalton transactions (Cambridge, England : 2003)","2017","46","10","3179","3191","10.1039/c7dt00279c","","x-ray","0.71073","MoKα","","0.0241","0.0215","","","0.0549","0.0564","","","","","","0.881","","","","has coordinates","195050","2020-10-21","18:00:00",""
"7042082","9.2472","0.0009","12.5669","0.001","13.1946","0.0014","71.041","0.004","70.219","0.004","69.424","0.004","1313.4","0.2","150","2","150","2","","","","","","","synthesis as described","7","P -1","-P 1","2","","","","- C38 H76 Cd2 N4 O2 Se2 Si4 -","- C38 H76 Cd2 N4 O2 Se2 Si4 -","- C38 H76 Cd2 N4 O2 Se2 Si4 -","1","0.5","","Pop, Alexandra; Bellini, Clément; Şuteu, Răzvan; Dorcet, Vincent; Roisnel, Thierry; Carpentier, Jean-François; Silvestru, Anca; Sarazin, Yann","Cadmium complexes bearing (Me2)N^E^O(-) (E = S, Se) organochalcogenoalkoxides and their zinc and mercury analogues.","Dalton transactions (Cambridge, England : 2003)","2017","46","10","3179","3191","10.1039/c7dt00279c","","x-ray","0.71073","MoKα","","0.0498","0.037","","","0.0796","0.0863","","","","","","1.018","","","","has coordinates","195050","2020-10-21","18:00:00",""
"7042083","9.9777","0.0006","10.8108","0.0007","13.9716","0.0009","92.875","0.003","90.825","0.003","98.109","0.002","1489.78","0.16","150","2","150","2","","","","","","","synthesis as described","8","P -1","-P 1","2","","","","- C19 H32 Cd F6 N2 O Se Si2 -","- C19 H32 Cd F6 N2 O Se Si2 -","- C38 H64 Cd2 F12 N4 O2 Se2 Si4 -","2","1","","Pop, Alexandra; Bellini, Clément; Şuteu, Răzvan; Dorcet, Vincent; Roisnel, Thierry; Carpentier, Jean-François; Silvestru, Anca; Sarazin, Yann","Cadmium complexes bearing (Me2)N^E^O(-) (E = S, Se) organochalcogenoalkoxides and their zinc and mercury analogues.","Dalton transactions (Cambridge, England : 2003)","2017","46","10","3179","3191","10.1039/c7dt00279c","","x-ray","0.71073","MoKα","","0.0558","0.0369","","","0.0764","0.0812","","","","","","0.932","","","","has coordinates","195050","2020-10-21","18:00:00",""
"7042084","9.1973","0.0004","12.6308","0.0004","13.1425","0.0005","71.18","0.002","70.43","0.002","69.436","0.001","1310.05","0.09","150","2","150","2","","","","","","","synthesis as described","7","P -1","-P 1","2","","","","- C19 H38 Cd N2 O S Si2 -","- C19 H38 Cd N2 O S Si2 -","- C38 H76 Cd2 N4 O2 S2 Si4 -","2","1","","Pop, Alexandra; Bellini, Clément; Şuteu, Răzvan; Dorcet, Vincent; Roisnel, Thierry; Carpentier, Jean-François; Silvestru, Anca; Sarazin, Yann","Cadmium complexes bearing (Me2)N^E^O(-) (E = S, Se) organochalcogenoalkoxides and their zinc and mercury analogues.","Dalton transactions (Cambridge, England : 2003)","2017","46","10","3179","3191","10.1039/c7dt00279c","","x-ray","0.71073","MoKα","","0.0403","0.033","","","0.0651","0.0679","","","","","","1.034","","","","has coordinates","195050","2020-10-21","18:00:00",""
"7042085","9.8542","0.0005","10.5091","0.0005","14.1922","0.0007","93.228","0.002","90.915","0.002","97.033","0.002","1455.97","0.12","150","2","150","2","","","","","","","synthesis as described","8","P -1","-P 1","2","","","","- C19 H32 F6 N2 O Se Si2 Zn -","- C19 H32 F6 N2 O Se Si2 Zn -","- C38 H64 F12 N4 O2 Se2 Si4 Zn2 -","2","1","","Pop, Alexandra; Bellini, Clément; Şuteu, Răzvan; Dorcet, Vincent; Roisnel, Thierry; Carpentier, Jean-François; Silvestru, Anca; Sarazin, Yann","Cadmium complexes bearing (Me2)N^E^O(-) (E = S, Se) organochalcogenoalkoxides and their zinc and mercury analogues.","Dalton transactions (Cambridge, England : 2003)","2017","46","10","3179","3191","10.1039/c7dt00279c","","x-ray","0.71073","MoKα","","0.0214","0.0194","","","0.0601","0.0608","","","","","","1.084","","","","has coordinates,has disorder","195050","2020-10-21","18:00:00",""
"7042086","12.359","0.005","17.334","0.005","18.273","0.005","117.15","0.005","91.534","0.005","97.372","0.005","3438","2","100","2","100","2","","","","","","","","6","P -1","-P 1","2","","","","- C63.5 H62.75 Cl2 Cu4 N14.75 O18.5 -","- C63.5 H62.75 Cl2 Cu4 N14.75 O18.5 -","- C127 H125.5 Cl4 Cu8 N29.5 O37 -","2","1","","Barman, Suman K.; Mondal, Totan; Koley, Debasis; Lloret, Francesc; Mukherjee, Rabindranath","A phenoxo-bridged dicopper(ii) complex as a model for phosphatase activity: mechanistic insights from a combined experimental and computational study.","Dalton transactions (Cambridge, England : 2003)","2017","46","12","4038","4054","10.1039/c6dt03514k","","","0.71073","MoKα","","0.0578","0.0411","","","0.1015","0.1109","","","","","","1.02","","","","has coordinates,has disorder","195127","2020-10-21","18:00:00",""
"7042087","14.9008","0.001","11.9675","0.0008","17.9866","0.0013","90","","92.98","0.005","90","","3203.1","0.4","100","2","100","2","","","","","","","synthesis as described","4","P 1 21/c 1","-P 2ybc","14","","","","- C33 H45 N7 O3 -","- C33 H45 N7 O3 -","- C132 H180 N28 O12 -","4","1","","Carreira-Barral, Israel; Mato-Iglesias, Marta; de Blas, Andrés; Platas-Iglesias, Carlos; Tasker, Peter A.; Esteban-Gómez, David","Ditopic receptors containing urea groups for solvent extraction of Cu(ii) salts.","Dalton transactions (Cambridge, England : 2003)","2017","46","10","3192","3206","10.1039/c7dt00093f","","x-ray","0.71073","MoKα","","0.0792","0.0483","","","0.1085","0.1231","","","","","","1.033","","","","has coordinates","195067","2020-10-21","18:00:00",""
"7042088","8.9322","0.0004","13.2792","0.0006","14.2039","0.0006","86.497","0.002","88.233","0.002","72.795","0.002","1606.22","0.12","100","2","100","2","","","","","","","synthesis as described","6","P -1","-P 1","2","","","","- C64 H60 Cu2 N16 O18 S2 -","- C64 H60 Cu2 N16 O18 S2 -","- C64 H60 Cu2 N16 O18 S2 -","1","0.5","","Carreira-Barral, Israel; Mato-Iglesias, Marta; de Blas, Andrés; Platas-Iglesias, Carlos; Tasker, Peter A.; Esteban-Gómez, David","Ditopic receptors containing urea groups for solvent extraction of Cu(ii) salts.","Dalton transactions (Cambridge, England : 2003)","2017","46","10","3192","3206","10.1039/c7dt00093f","","x-ray","0.71073","MoKα","","0.0405","0.0304","","","0.0712","0.0765","","","","","","1.047","","","","has coordinates","195067","2020-10-21","18:00:00",""
"7042089","10.1147","0.0004","10.8086","0.0004","16.8713","0.0007","76.478","0.002","78.801","0.002","79.307","0.002","1740.1","0.12","100","2","100","2","","","","","","","synthesis as described","6","P -1","-P 1","2","","","","- C34 H49 Cu N7 O8 S -","- C34 H49 Cu N7 O8 S -","- C68 H98 Cu2 N14 O16 S2 -","2","1","","Carreira-Barral, Israel; Mato-Iglesias, Marta; de Blas, Andrés; Platas-Iglesias, Carlos; Tasker, Peter A.; Esteban-Gómez, David","Ditopic receptors containing urea groups for solvent extraction of Cu(ii) salts.","Dalton transactions (Cambridge, England : 2003)","2017","46","10","3192","3206","10.1039/c7dt00093f","","x-ray","0.71073","MoKα","","0.053","0.0385","","","0.0957","0.1036","","","","","","1.03","","","","has coordinates,has disorder","195067","2020-10-21","18:00:00",""
"7042090","37.519","0.0012","10.8462","0.0003","22.2476","0.0007","90","","122.529","0.002","90","","7633.1","0.4","100","2","100","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C33.75 H48 N9 O9.75 Zn -","- C33.75 H47.9931 N9 O9.75 Zn -","- C270 H383.945 N72 O78 Zn8 -","8","1","","Carreira-Barral, Israel; Mato-Iglesias, Marta; de Blas, Andrés; Platas-Iglesias, Carlos; Tasker, Peter A.; Esteban-Gómez, David","Ditopic receptors containing urea groups for solvent extraction of Cu(ii) salts.","Dalton transactions (Cambridge, England : 2003)","2017","46","10","3192","3206","10.1039/c7dt00093f","","x-ray","0.71073","MoKα","","0.091","0.0542","","","0.1414","0.1637","","","","","","1.048","","","","has coordinates,has disorder","195067","2020-10-21","18:00:00",""
"7042091","16.5089","0.001","16.5089","0.001","45.518","0.006","90","","90","","120","","10743.6","1.7","150","2","150","2","","","","","","","","5","R -3 c :H","-R 3 2""c","167","","","","- C44 H24 Mn3 N26 O6 -","- C43.9998 H24 Mn3 N26 O6 -","- C263.999 H144 Mn18 N156 O36 -","6","0.166667","","Hua, Carol; Ge, Jing-Yuan; Tuna, Floriana; Collison, David; Zuo, Jing-Lin; D'Alessandro, Deanna M","Redox state manipulation of a tris(p-tetrazolylphenyl)amine ligand and its Mn(2+) coordination frameworks.","Dalton transactions (Cambridge, England : 2003)","2017","46","9","2998","3007","10.1039/c6dt04719j","","","0.71073","MoKα","","0.0769","0.0623","","","0.1855","0.1965","","","","","","1.055","","","","has coordinates","193846","2020-10-21","18:00:00",""
"7042092","16.465","0.0014","16.465","0.0014","47.04","0.004","90","","90","","120","","11043.9","1.6","150","2","150","2","","","","","","","","5","R -3 c :H","-R 3 2""c","167","","","","- C60 H66 Mn3 N32 O6 -","- C60 H66 Mn3 N32 O6 -","- C360 H396 Mn18 N192 O36 -","6","0.166667","","Hua, Carol; Ge, Jing-Yuan; Tuna, Floriana; Collison, David; Zuo, Jing-Lin; D'Alessandro, Deanna M","Redox state manipulation of a tris(p-tetrazolylphenyl)amine ligand and its Mn(2+) coordination frameworks.","Dalton transactions (Cambridge, England : 2003)","2017","46","9","2998","3007","10.1039/c6dt04719j","","","0.71073","MoKα","","0.0827","0.0597","","","0.1962","0.2088","","","","","","1.051","","","","has coordinates","193846","2020-10-21","18:00:00",""
"7042093","27.6091","0.0008","27.6091","0.0008","18.7133","0.0007","90","","90","","120","","12353.4","0.7","120","2","120.1","","","","","","","","","5","R 3 c :H","R 3 -2""c","161","","","","- C96 H60 Fe N18 P3 -","- C96 H60 Fe N18 P3 -","- C576 H360 Fe6 N108 P18 -","6","0.333333","","Kobylarczyk, Jedrzej; Pinkowicz, Dawid; Srebro-Hooper, Monika; Hooper, James; Podgajny, Robert","Anion-π recognition between [M(CN)6](3-) complexes and HAT(CN)6: structural matching and electronic charge density modification.","Dalton transactions (Cambridge, England : 2003)","2017","46","11","3482","3491","10.1039/c7dt00293a","","","0.71073","MoKα","","0.0348","0.03","","","0.0672","0.0693","","","","","","1.055","","","","has coordinates","203907","2020-10-21","18:00:00",""
"7042094","20.9359","0.0004","27.5973","0.0006","17.753","0.0006","90","","122.308","0.001","90","","8669.3","0.4","120","2","120","","","","","","","","","6","C 1 c 1","C -2yc","9","","","","- C100 H66 As3 Fe N20 O -","- C100 H66 As3 Fe N20 O -","- C400 H264 As12 Fe4 N80 O4 -","4","1","","Kobylarczyk, Jedrzej; Pinkowicz, Dawid; Srebro-Hooper, Monika; Hooper, James; Podgajny, Robert","Anion-π recognition between [M(CN)6](3-) complexes and HAT(CN)6: structural matching and electronic charge density modification.","Dalton transactions (Cambridge, England : 2003)","2017","46","11","3482","3491","10.1039/c7dt00293a","","","0.71073","MoKα","","0.0702","0.0479","","","0.0795","0.0865","","","","","","1.021","","","","has coordinates","195107","2020-10-21","18:00:00",""
"7042095","20.9033","0.0007","27.5801","0.0011","17.7843","0.001","90","","122.388","0.002","90","","8658","0.7","120","2","120","","","","","","","","","6","C 1 c 1","C -2yc","9","","","","- C100 H66 As3 Co N20 O -","- C100 H66 As3 Co N20 O -","- C400 H264 As12 Co4 N80 O4 -","4","1","","Kobylarczyk, Jedrzej; Pinkowicz, Dawid; Srebro-Hooper, Monika; Hooper, James; Podgajny, Robert","Anion-π recognition between [M(CN)6](3-) complexes and HAT(CN)6: structural matching and electronic charge density modification.","Dalton transactions (Cambridge, England : 2003)","2017","46","11","3482","3491","10.1039/c7dt00293a","","","0.71073","MoKα","","0.0502","0.0375","","","0.0651","0.0689","","","","","","1.018","","","","has coordinates","195107","2020-10-21","18:00:00",""
"7042096","27.5965","0.0006","27.5965","0.0006","18.6928","0.0005","90","","90","","120","","12328.6","0.5","120","2","120","","","","","","","","","5","R 3 c :H","R 3 -2""c","161","","","","- C96 H60 Co N18 P3 -","- C96 H60 Co N18 P3 -","- C576 H360 Co6 N108 P18 -","6","0.333333","","Kobylarczyk, Jedrzej; Pinkowicz, Dawid; Srebro-Hooper, Monika; Hooper, James; Podgajny, Robert","Anion-π recognition between [M(CN)6](3-) complexes and HAT(CN)6: structural matching and electronic charge density modification.","Dalton transactions (Cambridge, England : 2003)","2017","46","11","3482","3491","10.1039/c7dt00293a","","","0.71073","MoKα","","0.0412","0.0321","","","0.063","0.0659","","","","","","1.042","","","","has coordinates","203907","2020-10-21","18:00:00",""
"7042097","11.3971","0.0007","14.8799","0.0008","15.0231","0.0009","63.13","0.006","77.45","0.008","78.459","0.008","2203.1","0.3","100","2","100","2","","","","","","","","7","P -1","-P 1","2","","","","- C104 H68 Cl8 N10 O P4 Ti -","- C104 H68 Cl8 N10 O P4 Ti -","- C104 H68 Cl8 N10 O P4 Ti -","1","0.5","","Faraonov, Maxim A.; Konarev, Dmitri V.; Fatalov, Alexey M.; Khasanov, Salavat S.; Troyanov, Sergey I.; Lyubovskaya, Rimma N.","Radical anion and dianion salts of titanyl macrocycles with acceptor substituents or an extended π-system.","Dalton transactions (Cambridge, England : 2003)","2017","46","11","3547","3555","10.1039/c6dt04896j","","","0.895","synchrotron","","0.0705","0.0613","","","0.1431","0.1468","","","","","","0.998","","","","has coordinates","195094","2020-10-21","18:00:00",""
"7042098","36.695","0.002","25.1999","0.0008","27.4198","0.0011","90","","101.073","0.005","90","","24883.3","1.9","100","2","100","2","","","","","","","no","7","C 1 2/c 1","-C 2yc","15","no","di(bis(triphenylphosphoranylidene)ammonium) titanyl tetra(acenapheno)pyrazinoporphyrazene , dichlorobenzene, benzonitrile solvate","","- C149.4 H93.2 Cl2.6 N18.8 O P4 Ti -","- C149.4 H93.2 Cl2.6 N18.8 O P4 Ti -","- C1195.2 H745.6 Cl20.8 N150.4 O8 P32 Ti8 -","8","1","","Faraonov, Maxim A.; Konarev, Dmitri V.; Fatalov, Alexey M.; Khasanov, Salavat S.; Troyanov, Sergey I.; Lyubovskaya, Rimma N.","Radical anion and dianion salts of titanyl macrocycles with acceptor substituents or an extended π-system.","Dalton transactions (Cambridge, England : 2003)","2017","46","11","3547","3555","10.1039/c6dt04896j","","x-ray","0.71073","MoKα","","0.1984","0.1158","","","0.2766","0.3277","","","","","","1.063","","","","has coordinates,has disorder","195094","2020-10-21","18:00:00",""
"7042099","15.1213","0.0003","18.0169","0.0003","29.1976","0.0006","90","","98.402","0.002","90","","7869.2","0.3","150","2","150","2","","","","","","","no","7","P 1 21/c 1","-P 2ybc","14","no","bis(triphenylphosphoranylidene ammonium titanyl naphthalocyanine radical anion o-dichlorobenzene solvate","","- C96 H62 Cl4 N9 O P2 Ti -","- C96 H62 Cl4 N9 O P2 Ti -","- C384 H248 Cl16 N36 O4 P8 Ti4 -","4","1","","Faraonov, Maxim A.; Konarev, Dmitri V.; Fatalov, Alexey M.; Khasanov, Salavat S.; Troyanov, Sergey I.; Lyubovskaya, Rimma N.","Radical anion and dianion salts of titanyl macrocycles with acceptor substituents or an extended π-system.","Dalton transactions (Cambridge, England : 2003)","2017","46","11","3547","3555","10.1039/c6dt04896j","","","0.71073","MoKα","","0.1109","0.0818","","","0.1691","0.1824","","","","","","1.105","","","","has coordinates,has disorder","195094","2020-10-21","18:00:00",""
"7042100","7.2833","0.0003","26.6772","0.001","13.7648","0.0008","90","","95.968","0.004","90","","2660","0.2","295","2","295","2","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C20 H14 Au Cl F12 N4 P2 -","- C20 H14 Au Cl F12 N4 P2 -","- C80 H56 Au4 Cl4 F48 N16 P8 -","4","1","","Czerwińska, K; Golec, M.; Skonieczna, M.; Palion-Gazda, J; Zygadło, D; Szlapa-Kula, A; Krompiec, S.; Machura, B.; Szurko, A.","Cytotoxic gold(iii) complexes incorporating a 2,2':6',2''-terpyridine ligand framework - the impact of the substituent in the 4'-position of a terpy ring.","Dalton transactions (Cambridge, England : 2003)","2017","46","10","3381","3392","10.1039/c6dt04584g","","","0.71073","MoKα","","0.094","0.0525","","","0.1424","0.1557","","","","","","1.054","","","","has coordinates","195065","2020-10-21","18:00:00",""
"7042101","11.782","0.0004","14.9666","0.0006","28.1505","0.0015","90","","90","","90","","4964","0.4","134.3","0.8","134.3","0.8","","","","","","","","7","P b c a","-P 2ac 2ab","61","","","","- C20 H14 Au Cl F12 N4 P2 -","- C20 H14 Au Cl F12 N4 P2 -","- C160 H112 Au8 Cl8 F96 N32 P16 -","8","1","","Czerwińska, K; Golec, M.; Skonieczna, M.; Palion-Gazda, J; Zygadło, D; Szlapa-Kula, A; Krompiec, S.; Machura, B.; Szurko, A.","Cytotoxic gold(iii) complexes incorporating a 2,2':6',2''-terpyridine ligand framework - the impact of the substituent in the 4'-position of a terpy ring.","Dalton transactions (Cambridge, England : 2003)","2017","46","10","3381","3392","10.1039/c6dt04584g","","","0.71073","MoKα","","0.0629","0.0528","","","0.1133","0.1165","","","","","","1.098","","","","has coordinates","195065","2020-10-21","18:00:00",""
"7042102","7.4138","0.0009","20.935","0.003","9.771","0.001","90","","109.94","0.01","90","","1425.6","0.3","293","2","293","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","fac,cis-[RuII(CO)3Cl2(MBI)]","fac,cis-[RuII(CO)3Cl2(N3-MethylBenzImidazole)]","","- C11 H8 Cl2 N2 O3 Ru -","- C11 H8 Cl2 N2 O3 Ru -","- C44 H32 Cl8 N8 O12 Ru4 -","4","1","","Tamasi, Gabriella; Merlino, Antonello; Scaletti, Federica; Heffeter, Petra; Legin, Anton A.; Jakupec, Michael A.; Berger, Walter; Messori, Luigi; Keppler, Bernhard K.; Cini, Renzo","{Ru(CO)x}-Core complexes with benzimidazole ligands: synthesis, X-ray structure and evaluation of anticancer activity in vivo.","Dalton transactions (Cambridge, England : 2003)","2017","46","9","3025","3040","10.1039/c6dt04295c","","","0.71073","MoKα","","0.0621","0.0298","","","0.0534","0.057","","","","","","0.842","","","","has coordinates","193838","2020-10-21","18:00:00",""
"7042103","12.818","0.005","11.653","0.005","13.918","0.005","90","","105.766","0.005","90","","2000.7","1.4","293","2","293","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","cis,trans-[RuII(CO)2Cl2(MBI)2]","","","- C18 H16 Cl2 N4 O2 Ru -","- C18 H16 Cl2 N4 O2 Ru -","- C72 H64 Cl8 N16 O8 Ru4 -","4","1","","Tamasi, Gabriella; Merlino, Antonello; Scaletti, Federica; Heffeter, Petra; Legin, Anton A.; Jakupec, Michael A.; Berger, Walter; Messori, Luigi; Keppler, Bernhard K.; Cini, Renzo","{Ru(CO)x}-Core complexes with benzimidazole ligands: synthesis, X-ray structure and evaluation of anticancer activity in vivo.","Dalton transactions (Cambridge, England : 2003)","2017","46","9","3025","3040","10.1039/c6dt04295c","","","0.71073","MoKα","","0.1515","0.0487","","","0.0833","0.0952","","","","","","0.689","","","","has coordinates","193838","2020-10-21","18:00:00",""
"7042104","10.4194","0.0003","10.4212","0.0004","14.712","0.0005","90","","90","","90","","1597.47","0.09","293","2","293","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","fac,cis-[RuII(CO)3Cl2(DMBI)]","","","- C12 H10 Cl2 N2 O3 Ru -","- C12 H10 Cl2 N2 O3 Ru -","- C48 H40 Cl8 N8 O12 Ru4 -","4","1","","Tamasi, Gabriella; Merlino, Antonello; Scaletti, Federica; Heffeter, Petra; Legin, Anton A.; Jakupec, Michael A.; Berger, Walter; Messori, Luigi; Keppler, Bernhard K.; Cini, Renzo","{Ru(CO)x}-Core complexes with benzimidazole ligands: synthesis, X-ray structure and evaluation of anticancer activity in vivo.","Dalton transactions (Cambridge, England : 2003)","2017","46","9","3025","3040","10.1039/c6dt04295c","","","0.71073","MoKα","","0.042","0.0295","","","0.0579","0.0605","","","","","","0.874","","","","has coordinates","193838","2020-10-21","18:00:00",""
"7042105","19.526","0.002","17.807","0.002","15.0427","0.0017","90","","126.066","0.002","90","","4227.9","0.8","123","2","123","2","","","","","","","","5","C 1 2/m 1","-C 2y","12","","","","- C88 H104 Dy2 N8 O8 -","- C88 H104 Dy2 N8 O8 -","- C176 H208 Dy4 N16 O16 -","2","0.25","","Ge, Jing-Yuan; Wang, Hai-Ying; Li, Jing; Xie, Jia-Ze; Song, You; Zuo, Jing-Lin","Phthalocyanine supported dinuclear Ln(III) complexes: the solvent-induced change of magnetic properties in dysprosium(iii) analogues.","Dalton transactions (Cambridge, England : 2003)","2017","46","10","3353","3362","10.1039/c7dt00298j","","","0.71073","MoKα","","0.0502","0.04","","","0.1007","0.1074","","","","","","1.004","","","","has coordinates","195057","2020-10-21","18:00:00",""
"7042106","19.569","0.002","17.829","0.002","15.0637","0.0015","90","","126.146","0.003","90","","4244","0.8","123","2","123","2","","","","","","","","5","C 1 2/m 1","-C 2y","12","","","","- C88 H104 N8 O8 Tb2 -","- C88 H104 N8 O8 Tb2 -","- C176 H208 N16 O16 Tb4 -","2","0.25","","Ge, Jing-Yuan; Wang, Hai-Ying; Li, Jing; Xie, Jia-Ze; Song, You; Zuo, Jing-Lin","Phthalocyanine supported dinuclear Ln(III) complexes: the solvent-induced change of magnetic properties in dysprosium(iii) analogues.","Dalton transactions (Cambridge, England : 2003)","2017","46","10","3353","3362","10.1039/c7dt00298j","","","0.71073","MoKα","","0.0434","0.0362","","","0.0897","0.0937","","","","","","1.006","","","","has coordinates","195057","2020-10-21","18:00:00",""
"7042107","19.397","0.002","17.99","0.002","14.8056","0.0017","90","","126.939","0.002","90","","4129.4","0.8","283","2","283","2","","","","","","","","5","C 1 2/m 1","-C 2y","12","","","","- C88 H104 N8 O8 Sm2 -","- C88.0092 H104.036 N8 O8 Sm2 -","- C176.018 H208.072 N16 O16 Sm4 -","2","0.25","","Ge, Jing-Yuan; Wang, Hai-Ying; Li, Jing; Xie, Jia-Ze; Song, You; Zuo, Jing-Lin","Phthalocyanine supported dinuclear Ln(III) complexes: the solvent-induced change of magnetic properties in dysprosium(iii) analogues.","Dalton transactions (Cambridge, England : 2003)","2017","46","10","3353","3362","10.1039/c7dt00298j","","","0.71073","MoKα","","0.0456","0.0404","","","0.1061","0.1104","","","","","","1.071","","","","has coordinates,has disorder","195057","2020-10-21","18:00:00",""
"7042108","9.7475","0.0003","10.2186","0.0004","40.1933","0.0011","90","","90","","90","","4003.5","0.2","100","","100","","","","","","","","","3","P b c a","-P 2ac 2ab","61","","","","- C25 H22 P2 -","- C25 H22 P2 -","- C200 H176 P16 -","8","1","","Varga, F.; Rajnák, C; Titiš, J; Moncoľ, J; Boča, R","Slow magnetic relaxation in a Co(ii) octahedral-tetrahedral system formed of a [CoL3](2+) core with L = bis(diphenylphosphanoxido) methane and tetrahedral [CoBr4](2-) counter anions.","Dalton transactions (Cambridge, England : 2003)","2017","46","13","4148","4151","10.1039/c7dt00376e","","","1.54186","CuKα","","0.0412","0.0295","","","0.072","0.0741","","","","","","0.905","","","","has coordinates","195085","2020-10-21","18:00:00",""
"7042109","13.3702","0.0004","19.4278","0.0006","28.5245","0.0009","90","","90.932","0.003","90","","7408.4","0.4","100","","100","","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C75 H66 Br4 Co2 O6 P6 -","- C75 H66 Br4 Co2 O6 P6 -","- C300 H264 Br16 Co8 O24 P24 -","4","1","","Varga, F.; Rajnák, C; Titiš, J; Moncoľ, J; Boča, R","Slow magnetic relaxation in a Co(ii) octahedral-tetrahedral system formed of a [CoL3](2+) core with L = bis(diphenylphosphanoxido) methane and tetrahedral [CoBr4](2-) counter anions.","Dalton transactions (Cambridge, England : 2003)","2017","46","13","4148","4151","10.1039/c7dt00376e","","","1.54186","CuKα","","0.075","0.0445","","","0.0868","0.09","","","","","","0.953","","","","has coordinates,has disorder","195085","2020-10-21","18:00:00",""
"7042110","16.777","0.004","13.537","0.004","16.91","0.004","90","","114.416","0.004","90","","3497","1.6","297","","297","","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C17 H19 Bi Br N O -","- C17 H19 Bi Br N O -","- C136 H152 Bi8 Br8 N8 O8 -","8","2","","Toma, Ana Maria; Pop, Alexandra; Silvestru, Anca; Rüffer, Tobias; Lang, Heinrich; Mehring, Michael","Bismuthπ arene versus bismuthhalide coordination in heterocyclic diorganobismuth(iii) compounds with transannular N→Bi interaction.","Dalton transactions (Cambridge, England : 2003)","2017","46","12","3953","3962","10.1039/c7dt00188f","","","0.71073","MoKα","","0.0792","0.0526","","","0.0917","0.0987","","","","","","1.059","","","","has coordinates","195126","2020-10-21","18:00:00",""
"7042111","14.942","0.002","13.8911","0.0019","17.153","0.002","90","","98.306","0.002","90","","3522.9","0.8","297","2","297","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C17 H19 Bi I N O -","- C17 H19 Bi I N O -","- C136 H152 Bi8 I8 N8 O8 -","8","1","","Toma, Ana Maria; Pop, Alexandra; Silvestru, Anca; Rüffer, Tobias; Lang, Heinrich; Mehring, Michael","Bismuthπ arene versus bismuthhalide coordination in heterocyclic diorganobismuth(iii) compounds with transannular N→Bi interaction.","Dalton transactions (Cambridge, England : 2003)","2017","46","12","3953","3962","10.1039/c7dt00188f","","","0.71073","MoKα","","0.0937","0.0631","","","0.132","0.1444","","","","","","0.981","","","","has coordinates","195126","2020-10-21","18:00:00",""
"7042112","27.2","0.002","10.1132","0.0009","19.7239","0.0017","90","","132.998","0.001","90","","3968.2","0.6","297","2","297","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C22 H21 Bi Br N -","- C22 H21 Bi Br N -","- C176 H168 Bi8 Br8 N8 -","8","1","","Toma, Ana Maria; Pop, Alexandra; Silvestru, Anca; Rüffer, Tobias; Lang, Heinrich; Mehring, Michael","Bismuthπ arene versus bismuthhalide coordination in heterocyclic diorganobismuth(iii) compounds with transannular N→Bi interaction.","Dalton transactions (Cambridge, England : 2003)","2017","46","12","3953","3962","10.1039/c7dt00188f","","","0.71073","MoKα","","0.0862","0.0677","","","0.1896","0.201","","","","","","1.094","","","","has coordinates","195126","2020-10-21","18:00:00",""
"7042113","27.197","0.003","10.0324","0.0011","19.709","0.003","90","","132.929","0.004","90","","3937.5","0.9","297","2","297","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C22 H21 Bi Cl N -","- C22 H21 Bi Cl N -","- C176 H168 Bi8 Cl8 N8 -","8","1","","Toma, Ana Maria; Pop, Alexandra; Silvestru, Anca; Rüffer, Tobias; Lang, Heinrich; Mehring, Michael","Bismuthπ arene versus bismuthhalide coordination in heterocyclic diorganobismuth(iii) compounds with transannular N→Bi interaction.","Dalton transactions (Cambridge, England : 2003)","2017","46","12","3953","3962","10.1039/c7dt00188f","","","0.71073","MoKα","","0.063","0.0432","","","0.0952","0.1009","","","","","","0.998","","","","has coordinates","195126","2020-10-21","18:00:00",""
"7042114","7.5186","0.0005","10.6718","0.0007","22.47","0.0016","90","","94.532","0.007","90","","1797.3","0.2","110","","110","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C21 H19 Bi Br N -","- C21 H19 Bi Br N -","- C84 H76 Bi4 Br4 N4 -","4","1","","Toma, Ana Maria; Pop, Alexandra; Silvestru, Anca; Rüffer, Tobias; Lang, Heinrich; Mehring, Michael","Bismuthπ arene versus bismuthhalide coordination in heterocyclic diorganobismuth(iii) compounds with transannular N→Bi interaction.","Dalton transactions (Cambridge, England : 2003)","2017","46","12","3953","3962","10.1039/c7dt00188f","","","0.71073","MoKα","","0.0423","0.0339","","","0.0658","0.0686","","","","","","1.06","","","","has coordinates","195126","2020-10-21","18:00:00",""
"7042115","7.3565","0.0002","10.8639","0.0004","23.1182","0.0007","90","","92.701","0.003","90","","1845.56","0.1","110","","110","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C21 H19 Bi I N -","- C21 H19 Bi I N -","- C84 H76 Bi4 I4 N4 -","4","1","","Toma, Ana Maria; Pop, Alexandra; Silvestru, Anca; Rüffer, Tobias; Lang, Heinrich; Mehring, Michael","Bismuthπ arene versus bismuthhalide coordination in heterocyclic diorganobismuth(iii) compounds with transannular N→Bi interaction.","Dalton transactions (Cambridge, England : 2003)","2017","46","12","3953","3962","10.1039/c7dt00188f","","","0.71073","MoKα","","0.0311","0.0262","","","0.0507","0.0525","","","","","","1.045","","","","has coordinates","195126","2020-10-21","18:00:00",""
"7042116","10.0394","0.0004","11.5616","0.0004","15.0742","0.0006","90","","90.277","0.004","90","","1749.66","0.12","110","","110","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C21 H19 Bi Cl N -","- C21 H19 Bi Cl N -","- C84 H76 Bi4 Cl4 N4 -","4","1","","Toma, Ana Maria; Pop, Alexandra; Silvestru, Anca; Rüffer, Tobias; Lang, Heinrich; Mehring, Michael","Bismuthπ arene versus bismuthhalide coordination in heterocyclic diorganobismuth(iii) compounds with transannular N→Bi interaction.","Dalton transactions (Cambridge, England : 2003)","2017","46","12","3953","3962","10.1039/c7dt00188f","","","0.71073","MoKα","","0.0363","0.0281","","","0.0592","0.0615","","","","","","1.031","","","","has coordinates","195126","2020-10-21","18:00:00",""
"7042117","9.0546","0.0003","18.9853","0.0006","19.0771","0.0006","90","","90.059","0.003","90","","3279.43","0.18","110","","110","","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C17 H19 Bi Cl N O -","- C17 H19 Bi Cl N O -","- C136 H152 Bi8 Cl8 N8 O8 -","8","2","","Toma, Ana Maria; Pop, Alexandra; Silvestru, Anca; Rüffer, Tobias; Lang, Heinrich; Mehring, Michael","Bismuthπ arene versus bismuthhalide coordination in heterocyclic diorganobismuth(iii) compounds with transannular N→Bi interaction.","Dalton transactions (Cambridge, England : 2003)","2017","46","12","3953","3962","10.1039/c7dt00188f","","","0.71073","MoKα","","0.0414","0.0323","","","0.0691","0.0718","","","","","","1.059","","","","has coordinates","195126","2020-10-21","18:00:00",""
"7042118","19.5719","0.0006","20.7636","0.0006","19.6683","0.0006","90","","93.297","0.003","90","","7979.6","0.4","110","","110","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C22 H21 Bi I N -","- C22 H21 Bi I N -","- C352 H336 Bi16 I16 N16 -","16","4","","Toma, Ana Maria; Pop, Alexandra; Silvestru, Anca; Rüffer, Tobias; Lang, Heinrich; Mehring, Michael","Bismuthπ arene versus bismuthhalide coordination in heterocyclic diorganobismuth(iii) compounds with transannular N→Bi interaction.","Dalton transactions (Cambridge, England : 2003)","2017","46","12","3953","3962","10.1039/c7dt00188f","","","0.71073","MoKα","","0.0616","0.0399","","","0.0734","0.0792","","","","","","0.996","","","","has coordinates","195126","2020-10-21","18:00:00",""
"7042119","12.506","0.007","8.658","0.005","18.119","0.012","90","","110.129","0.009","90","","1842","1.9","297","","297","","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C17 H19 Bi F N O -","- C17 H19 Bi F N O -","- C68 H76 Bi4 F4 N4 O4 -","4","1","","Toma, Ana Maria; Pop, Alexandra; Silvestru, Anca; Rüffer, Tobias; Lang, Heinrich; Mehring, Michael","Bismuthπ arene versus bismuthhalide coordination in heterocyclic diorganobismuth(iii) compounds with transannular N→Bi interaction.","Dalton transactions (Cambridge, England : 2003)","2017","46","12","3953","3962","10.1039/c7dt00188f","","","0.71073","MoKα","","0.0553","0.0383","","","0.0765","0.0814","","","","","","1.068","","","","has coordinates","195126","2020-10-21","18:00:00",""
"7042120","10.6005","0.0012","17.985","0.002","20.191","0.002","96.412","0.002","102.067","0.002","99.808","0.002","3665.7","0.7","296","2","296","2","","","","","","","","6","P -1","-P 1","2","","","","- C48 H80 Cu N4 O6 S6 -","- C48 H77 Cu N4 O6 S6 -","- C96 H154 Cu2 N8 O12 S12 -","2","1","","Cui, Long; Ge, Jing-Yuan; Leong, Chanel F.; D'Alessandro, Deanna M; Zuo, Jing-Lin","A heterometallic ferrimagnet based on a new TTF-bis(oxamato) ligand.","Dalton transactions (Cambridge, England : 2003)","2017","46","12","3980","3988","10.1039/c6dt04903f","","","0.71073","MoKα","","0.1311","0.0706","","","0.1617","0.1692","","","","","","1.173","","","","has coordinates","195130","2020-10-21","18:00:00",""
"7042121","19.806","0.0012","12.9121","0.0008","17.9444","0.0011","90","","105.655","0.001","90","","4418.8","0.5","296","2","296","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C18 H16 Cu Mn N2 O8 S6 -","- C18 H16 Cu Mn N2 O8 S6 -","- C72 H64 Cu4 Mn4 N8 O32 S24 -","4","1","","Cui, Long; Ge, Jing-Yuan; Leong, Chanel F.; D'Alessandro, Deanna M; Zuo, Jing-Lin","A heterometallic ferrimagnet based on a new TTF-bis(oxamato) ligand.","Dalton transactions (Cambridge, England : 2003)","2017","46","12","3980","3988","10.1039/c6dt04903f","","","0.71073","MoKα","","0.1355","0.1058","","","0.2184","0.2293","","","","","","1.182","","","","has coordinates","195130","2020-10-21","18:00:00",""
"7042122","18.933","0.007","4.897","0.002","27.689","0.011","90","","103.623","0.006","90","","2495","1.7","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C40 H40 N4 O12 S12 -","- C40 H40 N4 O12 S12 -","- C80 H80 N8 O24 S24 -","2","0.5","","Cui, Long; Ge, Jing-Yuan; Leong, Chanel F.; D'Alessandro, Deanna M; Zuo, Jing-Lin","A heterometallic ferrimagnet based on a new TTF-bis(oxamato) ligand.","Dalton transactions (Cambridge, England : 2003)","2017","46","12","3980","3988","10.1039/c6dt04903f","","","0.71073","MoKα","","0.1662","0.1438","","","0.1838","0.317","","","","","","1.175","","","","has coordinates,has disorder","195130","2020-10-21","18:00:00",""
"7042123","19.9166","0.0013","24.7493","0.0017","10.2572","0.0007","90","","90","","90","","5056","0.6","293","2","296","2","","","","","","","","5","A e a 2","A 2 -2ab","41","","","","- C26 H32 Br15 Cu11 N4 -","- C26 H32 Br15 Cu11 N4 -","- C104 H128 Br60 Cu44 N16 -","4","0.5","","Lei, Xiao-Wu; Yue, Cheng-Yang; Wang, Sai; Gao, Hui; Wang, Wei; Wang, Ning; Yin, Yun-Dong","Di-pyridyl organic cation directed hybrid cuprous halogenides: syntheses, crystal structures and photochromism and photocatalysis.","Dalton transactions (Cambridge, England : 2003)","2017","46","13","4209","4217","10.1039/c7dt00262a","","","0.71073","MoKα","","0.0618","0.0506","","","0.1385","0.1467","","","","","","1.03","","","","has coordinates","195078","2020-10-21","18:00:00",""
"7042124","14.7211","0.0008","18.6474","0.0011","29.9786","0.0017","90","","91.494","0.001","90","","8226.6","0.8","293","2","296","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C26 H34 Cu4 I8 N4 O -","- C26 H34 Cu4 I8 N4 O -","- C208 H272 Cu32 I64 N32 O8 -","8","1","","Lei, Xiao-Wu; Yue, Cheng-Yang; Wang, Sai; Gao, Hui; Wang, Wei; Wang, Ning; Yin, Yun-Dong","Di-pyridyl organic cation directed hybrid cuprous halogenides: syntheses, crystal structures and photochromism and photocatalysis.","Dalton transactions (Cambridge, England : 2003)","2017","46","13","4209","4217","10.1039/c7dt00262a","","","0.71073","MoKα","","0.0342","0.0281","","","0.0663","0.0688","","","","","","1.034","","","","has coordinates","195078","2020-10-21","18:00:00",""
"7042125","16.6987","0.0014","13.8177","0.0011","8.907","0.0007","90","","95.969","0.001","90","","2044","0.3","296","2","296","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C13 H14 Cu2 I4 N2 -","- C13 H14 Cu2 I4 N2 -","- C52 H56 Cu8 I16 N8 -","4","1","","Lei, Xiao-Wu; Yue, Cheng-Yang; Wang, Sai; Gao, Hui; Wang, Wei; Wang, Ning; Yin, Yun-Dong","Di-pyridyl organic cation directed hybrid cuprous halogenides: syntheses, crystal structures and photochromism and photocatalysis.","Dalton transactions (Cambridge, England : 2003)","2017","46","13","4209","4217","10.1039/c7dt00262a","","","0.71073","MoKα","","0.0401","0.0292","","","0.0729","0.0781","","","","","","1.043","","","","has coordinates","195078","2020-10-21","18:00:00",""
"7042126","20.623","0.003","25.633","0.003","10.6807","0.0013","90","","90","","90","","5646.1","1.3","293","2","296","2","","","","","","","","5","A e a 2","A 2 -2ab","41","","","","- C26 H32 Cu11 I15 N4 -","- C26 H32 Cu11 I15 N4 -","- C104 H128 Cu44 I60 N16 -","4","0.5","","Lei, Xiao-Wu; Yue, Cheng-Yang; Wang, Sai; Gao, Hui; Wang, Wei; Wang, Ning; Yin, Yun-Dong","Di-pyridyl organic cation directed hybrid cuprous halogenides: syntheses, crystal structures and photochromism and photocatalysis.","Dalton transactions (Cambridge, England : 2003)","2017","46","13","4209","4217","10.1039/c7dt00262a","","","0.71073","MoKα","","0.0275","0.0243","","","0.0524","0.0536","","","","","","1.036","","","","has coordinates","195078","2020-10-21","18:00:00",""
"7042127","14.713","0.002","18.652","0.003","29.986","0.004","90","","91.489","0.002","90","","8226","2","293","2","296","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C26 H30 Cu4 I8 N4 O -","- C26 H30 Cu4 I8 N4 O -","- C208 H240 Cu32 I64 N32 O8 -","8","1","","Lei, Xiao-Wu; Yue, Cheng-Yang; Wang, Sai; Gao, Hui; Wang, Wei; Wang, Ning; Yin, Yun-Dong","Di-pyridyl organic cation directed hybrid cuprous halogenides: syntheses, crystal structures and photochromism and photocatalysis.","Dalton transactions (Cambridge, England : 2003)","2017","46","13","4209","4217","10.1039/c7dt00262a","","","0.71073","MoKα","","0.0451","0.0358","","","0.0829","0.0868","","","","","","1.065","","","","has coordinates","195078","2020-10-21","18:00:00",""
"7042128","4.2148","0.0004","4.2148","0.0004","14.7286","0.0011","90","","90","","90","","261.65","0.04","298","","298","","","","","","","","","4","I 4/m m m","-I 4 2","139","","","","- Cu Fe K0.94 Te2 -","- Cu Fe K0.943 Te2 -","- Cu2 Fe2 K1.886 Te4 -","2","0.0625","","Sun, Fan; Guo, Zhongnan; Liu, Ning; Lin, Kun; Wang, Da; Yuan, Wenxia","KFeCuTe2: a new compound to study the removal of interstitial Fe in layered tellurides.","Dalton transactions (Cambridge, England : 2003)","2017","46","11","3649","3654","10.1039/c7dt00219j","powder diffraction","","1.54056","CuKα","","","","","","","","","12.1603","","","","","","","","has coordinates","195112","2020-10-21","18:00:00",""
"7042129","10.956","0.0008","9.945","0.0004","19.8771","0.0012","90","","96.737","0.005","90","","2150.8","0.2","150","1","150","1","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C20 H23 Fe N2 O4 Sb -","- C20 H23 Fe N2 O4 Sb -","- C80 H92 Fe4 N8 O16 Sb4 -","4","1","","Vránová, Iva; Kremláček, Vít; Erben, Milan; Turek, Jan; Jambor, Roman; Růžička, Aleš; Alonso, Mercedes; Dostál, Libor","A comparative study of the structure and bonding in heavier pnictinidene complexes [(ArE)M(CO)n] (E = As, Sb and Bi; M = Cr, Mo, W and Fe).","Dalton transactions (Cambridge, England : 2003)","2017","46","11","3556","3568","10.1039/c7dt00095b","","","0.71073","MoKα","","0.0234","0.0196","","","0.0459","0.0492","","","","","","1.154","","","","has coordinates","195100","2020-10-21","18:00:00",""
"7042130","11.136","0.001","11.565","0.001","18.6181","0.0013","90","","112.958","0.006","90","","2207.9","0.3","150","1","150","1","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C20 H23 Bi Fe N2 O4 -","- C20 H23 Bi Fe N2 O4 -","- C80 H92 Bi4 Fe4 N8 O16 -","4","1","","Vránová, Iva; Kremláček, Vít; Erben, Milan; Turek, Jan; Jambor, Roman; Růžička, Aleš; Alonso, Mercedes; Dostál, Libor","A comparative study of the structure and bonding in heavier pnictinidene complexes [(ArE)M(CO)n] (E = As, Sb and Bi; M = Cr, Mo, W and Fe).","Dalton transactions (Cambridge, England : 2003)","2017","46","11","3556","3568","10.1039/c7dt00095b","","","0.71073","MoKα","","0.0467","0.032","","","0.0745","0.0886","","","","","","1.139","","","","has coordinates","195100","2020-10-21","18:00:00",""
"7042131","28.4024","0.0006","9.349","0.0002","19.5303","0.0005","90","","95.652","0.004","90","","5160.7","0.2","150","1","150","1","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C24.5 H27 Cr N2 O5 Sb -","- C21 H23 Cr N2 O5 Sb -","- C168 H184 Cr8 N16 O40 Sb8 -","8","1","","Vránová, Iva; Kremláček, Vít; Erben, Milan; Turek, Jan; Jambor, Roman; Růžička, Aleš; Alonso, Mercedes; Dostál, Libor","A comparative study of the structure and bonding in heavier pnictinidene complexes [(ArE)M(CO)n] (E = As, Sb and Bi; M = Cr, Mo, W and Fe).","Dalton transactions (Cambridge, England : 2003)","2017","46","11","3556","3568","10.1039/c7dt00095b","","","0.71073","MoKα","","0.0455","0.0276","","","0.0528","0.0601","","","","","","1.099","","","","has coordinates","195100","2020-10-21","18:00:00",""
"7042132","10.508","0.0011","10.5261","0.0016","11.435","0.0013","70.486","0.007","89.138","0.01","78.361","0.008","1165.8","0.3","150","1","150","1","","","","","","","","6","P -1","-P 1","2","","","","- C21 H23 N2 O5 Sb W -","- C21 H23 N2 O5 Sb W -","- C42 H46 N4 O10 Sb2 W2 -","2","1","","Vránová, Iva; Kremláček, Vít; Erben, Milan; Turek, Jan; Jambor, Roman; Růžička, Aleš; Alonso, Mercedes; Dostál, Libor","A comparative study of the structure and bonding in heavier pnictinidene complexes [(ArE)M(CO)n] (E = As, Sb and Bi; M = Cr, Mo, W and Fe).","Dalton transactions (Cambridge, England : 2003)","2017","46","11","3556","3568","10.1039/c7dt00095b","","","0.71073","MoKα","","0.0463","0.0439","","","0.1141","0.1175","","","","","","1.079","","","","has coordinates,has disorder","195100","2020-10-21","18:00:00",""
"7042133","19.3042","0.0013","19.3039","0.0014","13.576","0.003","90","","90","","90","","5059","1.2","150","1","150","1","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C24.5 H27 Bi Cr N2 O5 -","- C24.5 H27 Bi Cr N2 O5 -","- C196 H216 Bi8 Cr8 N16 O40 -","8","2","","Vránová, Iva; Kremláček, Vít; Erben, Milan; Turek, Jan; Jambor, Roman; Růžička, Aleš; Alonso, Mercedes; Dostál, Libor","A comparative study of the structure and bonding in heavier pnictinidene complexes [(ArE)M(CO)n] (E = As, Sb and Bi; M = Cr, Mo, W and Fe).","Dalton transactions (Cambridge, England : 2003)","2017","46","11","3556","3568","10.1039/c7dt00095b","","","0.71073","MoKα","","0.0575","0.0365","","","0.0693","0.0833","","","","","","1.17","","","","has coordinates","202518","2020-10-21","18:00:00",""
"7042134","28.7432","0.0003","9.4385","0.0007","19.6321","0.0003","90","","96.06","0.002","90","","5296.3","0.4","150","1","150","1","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C22.75 H25 Mo N2 O5 Sb -","- C21 H23 Mo N2 O5 Sb -","- C168 H184 Mo8 N16 O40 Sb8 -","8","1","","Vránová, Iva; Kremláček, Vít; Erben, Milan; Turek, Jan; Jambor, Roman; Růžička, Aleš; Alonso, Mercedes; Dostál, Libor","A comparative study of the structure and bonding in heavier pnictinidene complexes [(ArE)M(CO)n] (E = As, Sb and Bi; M = Cr, Mo, W and Fe).","Dalton transactions (Cambridge, England : 2003)","2017","46","11","3556","3568","10.1039/c7dt00095b","","","0.71073","MoKα","","0.0276","0.0214","","","0.0528","0.0586","","","","","","1.009","","","","has coordinates","195100","2020-10-21","18:00:00",""
"7042135","19.4793","0.0016","19.4789","0.0013","13.5431","0.0016","90","","90","","90","","5138.7","0.8","150","1","150","1","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C24.5 H27 Bi N2 O5 W -","- C24.5 H27 Bi N2 O5 W -","- C196 H216 Bi8 N16 O40 W8 -","8","2","","Vránová, Iva; Kremláček, Vít; Erben, Milan; Turek, Jan; Jambor, Roman; Růžička, Aleš; Alonso, Mercedes; Dostál, Libor","A comparative study of the structure and bonding in heavier pnictinidene complexes [(ArE)M(CO)n] (E = As, Sb and Bi; M = Cr, Mo, W and Fe).","Dalton transactions (Cambridge, England : 2003)","2017","46","11","3556","3568","10.1039/c7dt00095b","","","0.71073","MoKα","","0.0524","0.045","","","0.1081","0.1176","","","","","","1.108","","","","has coordinates","202518","2020-10-21","18:00:00",""
"7042136","10.57","0.0007","10.618","0.0008","11.4101","0.0008","70.472","0.007","89.817","0.007","78.893","0.006","1181.72","0.16","150","1","150","1","","","","","","","","6","P -1","-P 1","2","","","","- C21 H23 Bi Mo N2 O5 -","- C21 H23 Bi Mo N2 O5 -","- C42 H46 Bi2 Mo2 N4 O10 -","2","1","","Vránová, Iva; Kremláček, Vít; Erben, Milan; Turek, Jan; Jambor, Roman; Růžička, Aleš; Alonso, Mercedes; Dostál, Libor","A comparative study of the structure and bonding in heavier pnictinidene complexes [(ArE)M(CO)n] (E = As, Sb and Bi; M = Cr, Mo, W and Fe).","Dalton transactions (Cambridge, England : 2003)","2017","46","11","3556","3568","10.1039/c7dt00095b","","","0.71073","MoKα","","0.0325","0.0284","","","0.0678","0.0731","","","","","","1.121","","","","has coordinates,has disorder","195100","2020-10-21","18:00:00",""
"7042137","28.037","0.0003","9.3332","0.0004","19.4852","0.0003","90","","95.871","0.002","90","","5072","0.2","150","1","150","1","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C24.5 H27 As Cr N2 O5 -","- C21 H23 As Cr N2 O5 -","- C168 H184 As8 Cr8 N16 O40 -","8","1","","Vránová, Iva; Kremláček, Vít; Erben, Milan; Turek, Jan; Jambor, Roman; Růžička, Aleš; Alonso, Mercedes; Dostál, Libor","A comparative study of the structure and bonding in heavier pnictinidene complexes [(ArE)M(CO)n] (E = As, Sb and Bi; M = Cr, Mo, W and Fe).","Dalton transactions (Cambridge, England : 2003)","2017","46","11","3556","3568","10.1039/c7dt00095b","","","0.71073","MoKα","","0.0915","0.0575","","","0.1133","0.1422","","","","","","1.162","","","","has coordinates","195100","2020-10-21","18:00:00",""
"7042138","13.9922","0.0004","16.286","0.0002","9.5112","0.0003","90","","102.863","0.005","90","","2112.99","0.1","150","1","150","1","","","","","","","","6","C 1 c 1","C -2yc","9","","","","- C20 H23 As Fe N2 O4 -","- C20 H23 As Fe N2 O4 -","- C80 H92 As4 Fe4 N8 O16 -","4","1","","Vránová, Iva; Kremláček, Vít; Erben, Milan; Turek, Jan; Jambor, Roman; Růžička, Aleš; Alonso, Mercedes; Dostál, Libor","A comparative study of the structure and bonding in heavier pnictinidene complexes [(ArE)M(CO)n] (E = As, Sb and Bi; M = Cr, Mo, W and Fe).","Dalton transactions (Cambridge, England : 2003)","2017","46","11","3556","3568","10.1039/c7dt00095b","","","0.71073","MoKα","","0.0207","0.0181","","","0.0401","0.0421","","","","","","1.09","","","","has coordinates","195100","2020-10-21","18:00:00",""
"7042139","7.7303","0.0006","7.7864","0.0006","22.0222","0.0019","86.949","0.007","87.158","0.007","60.575","0.008","1152.49","0.18","150","","150","","","","","","","","","5","P -1","-P 1","2","","","","- C14 H28 I2 N6 O3 -","- C14 H26 I2 N6 O3 -","- C28 H52 I4 N12 O6 -","2","1","","Savastano, Matteo; Bazzicalupi, Carla; García, Celeste; Gellini, Cristina; López de la Torre, María Dolores; Mariani, Palma; Pichierri, Fabio; Bianchi, Antonio; Melguizo, Manuel","Iodide and triiodide anion complexes involving anion-π interactions with a tetrazine-based receptor.","Dalton transactions (Cambridge, England : 2003)","2017","46","14","4518","4529","10.1039/c7dt00134g","","","0.71073","MoKα","","0.0864","0.0524","","","0.0646","0.081","","","","","","1.024","","","","has coordinates","196436","2020-10-21","18:00:00",""
"7042140","7.5053","0.0006","13.541","0.0007","14.5928","0.0009","99.59","0.005","102.045","0.006","94.974","0.005","1418.74","0.17","100","","100","","","","","","","","","5","P -1","-P 1","2","","","","- C14 H30 I6 N6 O4 -","- C14 H26 I6 N6 O4 -","- C28 H52 I12 N12 O8 -","2","1","","Savastano, Matteo; Bazzicalupi, Carla; García, Celeste; Gellini, Cristina; López de la Torre, María Dolores; Mariani, Palma; Pichierri, Fabio; Bianchi, Antonio; Melguizo, Manuel","Iodide and triiodide anion complexes involving anion-π interactions with a tetrazine-based receptor.","Dalton transactions (Cambridge, England : 2003)","2017","46","14","4518","4529","10.1039/c7dt00134g","","","0.71073","MoKα","","0.1201","0.1013","","","0.2418","0.2694","","","","","","1.011","","","","has coordinates","196436","2020-10-21","18:00:00",""
"7042141","14.3403","0.0003","14.3161","0.0002","13.8619","0.0003","90","","106.228","0.002","90","","2732.42","0.09","100","","100","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C14 H34 I5 N6 O4 -","- C14 H26 I5 N6 O4 -","- C56 H104 I20 N24 O16 -","4","1","","Savastano, Matteo; Bazzicalupi, Carla; García, Celeste; Gellini, Cristina; López de la Torre, María Dolores; Mariani, Palma; Pichierri, Fabio; Bianchi, Antonio; Melguizo, Manuel","Iodide and triiodide anion complexes involving anion-π interactions with a tetrazine-based receptor.","Dalton transactions (Cambridge, England : 2003)","2017","46","14","4518","4529","10.1039/c7dt00134g","","","0.71073","MoKα","","0.0928","0.0661","","","0.1709","0.2057","","","","","","1.013","","","","has coordinates","196436","2020-10-21","18:00:00",""
"7042142","14.2949","0.0015","19","0.002","16.6852","0.0018","90","","108.847","0.002","90","","4288.8","0.8","296","2","296","2","","","","","","","","6","P 1 21/m 1","-P 2yb","11","","","","- H76 O100 P2 Pr3 Ta3 W15 -","- H44 O96.5 P2 Pr3 Ta3 W15 -","- H88 O193 P4 Pr6 Ta6 W30 -","2","0.5","","Peng, Qingpo; Li, Shujun; Wang, Ruoya; Liu, Shuxia; Xie, Linhua; Zhai, Jianxin; Zhang, Jie; Zhao, Qianyi; Chen, Xuenian","Lanthanide derivatives of Ta/W mixed-addendum POMs as proton-conducting materials.","Dalton transactions (Cambridge, England : 2003)","2017","46","13","4157","4160","10.1039/c7dt00091j","","","0.71073","MoKα","","0.0847","0.058","","","0.1567","0.1888","","","","","","1.042","","","","has coordinates","195071","2020-10-21","18:00:00",""
"7042143","14.3527","0.0003","18.9578","0.0004","16.8222","0.0004","90","","109.311","0.0012","90","","4319.71","0.17","153","2","153","2","","","","","","","","6","P 1 21/m 1","-P 2yb","11","","","","- H76 La3 O100 P2 Ta3 W15 -","- H44 La3 O99 P2 Ta3 W15 -","- H88 La6 O198 P4 Ta6 W30 -","2","0.5","","Peng, Qingpo; Li, Shujun; Wang, Ruoya; Liu, Shuxia; Xie, Linhua; Zhai, Jianxin; Zhang, Jie; Zhao, Qianyi; Chen, Xuenian","Lanthanide derivatives of Ta/W mixed-addendum POMs as proton-conducting materials.","Dalton transactions (Cambridge, England : 2003)","2017","46","13","4157","4160","10.1039/c7dt00091j","","","0.71073","MoKα","","0.0965","0.0797","","","0.227","0.2539","","","","","","1.054","","","","has coordinates","195071","2020-10-21","18:00:00",""
"7042144","14.2865","0.0008","18.8099","0.0011","16.7573","0.0009","90","","109.172","0.0012","90","","4253.4","0.4","103","2","103","2","","","","","","","","6","P 1 21/m 1","-P 2yb","11","","","","- H78 Nd3 O101 P2 Ta3 W15 -","- H44 Nd3 O98.5 P2 Ta3 W15 -","- H88 Nd6 O197 P4 Ta6 W30 -","2","0.5","","Peng, Qingpo; Li, Shujun; Wang, Ruoya; Liu, Shuxia; Xie, Linhua; Zhai, Jianxin; Zhang, Jie; Zhao, Qianyi; Chen, Xuenian","Lanthanide derivatives of Ta/W mixed-addendum POMs as proton-conducting materials.","Dalton transactions (Cambridge, England : 2003)","2017","46","13","4157","4160","10.1039/c7dt00091j","","","0.71073","MoKα","","0.074","0.0581","","","0.1695","0.199","","","","","","1.1","","","","has coordinates","195071","2020-10-21","18:00:00",""
"7042145","14.372","0.015","19.14","0.02","16.77","0.018","90","","108.723","0.012","90","","4369","8","296","2","296","2","","","","","","","","6","P 1 21/m 1","-P 2yb","11","","","","- Ce3 H76 O100 P2 Ta3 W15 -","- Ce3 H42 O97.5 P2 Ta3 W15 -","- Ce6 H84 O195 P4 Ta6 W30 -","2","0.5","","Peng, Qingpo; Li, Shujun; Wang, Ruoya; Liu, Shuxia; Xie, Linhua; Zhai, Jianxin; Zhang, Jie; Zhao, Qianyi; Chen, Xuenian","Lanthanide derivatives of Ta/W mixed-addendum POMs as proton-conducting materials.","Dalton transactions (Cambridge, England : 2003)","2017","46","13","4157","4160","10.1039/c7dt00091j","","","0.71073","MoKα","","0.0631","0.0413","","","0.1086","0.1388","","","","","","1.073","","","","has coordinates","195071","2020-10-21","18:00:00",""
"7042146","3.9115","0.0011","8.015","0.003","10.187","0.003","90","","99.939","0.011","90","","314.58","0.17","120","2","120","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C4 H8 B2 O4 -","- C4 H8 B2 O4 -","- C8 H16 B4 O8 -","2","0.5","","Eck, Martin; Würtemberger-Pietsch, Sabrina; Eichhorn, Antonius; Berthel, Johannes H. J.; Bertermann, Rüdiger; Paul, Ursula S. D.; Schneider, Heidi; Friedrich, Alexandra; Kleeberg, Christian; Radius, Udo; Marder, Todd B.","B-B bond activation and NHC ring-expansion reactions of diboron(4) compounds, and accurate molecular structures of B2(NMe2)4, B2eg2, B2neop2 and B2pin2.","Dalton transactions (Cambridge, England : 2003)","2017","46","11","3661","3680","10.1039/c7dt00334j","","","0.71073","MoKα","","0.0414","0.035","","","0.0918","0.0974","","","","","","1.04","","","","has coordinates","195114","2020-10-21","18:00:00",""
"7042147","8.8506","0.0011","8.8506","0.0011","13.7909","0.0017","90","","90","","120","","935.6","0.2","140","2","140","2","","","","","","","","4","R -3 m :H","-R 3 2""","166","","","","- C10 H20 B2 O4 -","- C10 H19.9998 B1.9998 O4.0002 -","- C30 H59.9994 B5.9994 O12.0006 -","3","0.0833333","","Eck, Martin; Würtemberger-Pietsch, Sabrina; Eichhorn, Antonius; Berthel, Johannes H. J.; Bertermann, Rüdiger; Paul, Ursula S. D.; Schneider, Heidi; Friedrich, Alexandra; Kleeberg, Christian; Radius, Udo; Marder, Todd B.","B-B bond activation and NHC ring-expansion reactions of diboron(4) compounds, and accurate molecular structures of B2(NMe2)4, B2eg2, B2neop2 and B2pin2.","Dalton transactions (Cambridge, England : 2003)","2017","46","11","3661","3680","10.1039/c7dt00334j","","","0.71073","MoKα","","0.0542","0.0459","","","0.1068","0.1121","","","","","","1.109","","","","has coordinates","195114","2020-10-21","18:00:00",""
"7042148","8.8311","0.0005","8.8311","0.0005","27.5396","0.0016","90","","90","","120","","1860.02","0.18","115","2","115","2","","","","","","","","4","R -3 c :H","-R 3 2""c","167","","","","- C10 H20 B2 O4 -","- C10 H19.9992 B1.9998 O4.0002 -","- C60 H119.995 B11.9988 O24.0012 -","6","0.166667","","Eck, Martin; Würtemberger-Pietsch, Sabrina; Eichhorn, Antonius; Berthel, Johannes H. J.; Bertermann, Rüdiger; Paul, Ursula S. D.; Schneider, Heidi; Friedrich, Alexandra; Kleeberg, Christian; Radius, Udo; Marder, Todd B.","B-B bond activation and NHC ring-expansion reactions of diboron(4) compounds, and accurate molecular structures of B2(NMe2)4, B2eg2, B2neop2 and B2pin2.","Dalton transactions (Cambridge, England : 2003)","2017","46","11","3661","3680","10.1039/c7dt00334j","","","0.71073","MoKα","","0.0591","0.051","","","0.1239","0.1312","","","","","","1.055","","","","has coordinates","195114","2020-10-21","18:00:00",""
"7042149","15.2894","0.0008","8.7342","0.0004","19.2066","0.001","90","","105.807","0.006","90","","2467.9","0.2","100","2","100","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C10 H20 B2 O4 -","- C10 H20 B2 O4 -","- C80 H160 B16 O32 -","8","2","","Eck, Martin; Würtemberger-Pietsch, Sabrina; Eichhorn, Antonius; Berthel, Johannes H. J.; Bertermann, Rüdiger; Paul, Ursula S. D.; Schneider, Heidi; Friedrich, Alexandra; Kleeberg, Christian; Radius, Udo; Marder, Todd B.","B-B bond activation and NHC ring-expansion reactions of diboron(4) compounds, and accurate molecular structures of B2(NMe2)4, B2eg2, B2neop2 and B2pin2.","Dalton transactions (Cambridge, England : 2003)","2017","46","11","3661","3680","10.1039/c7dt00334j","","","0.71073","MoKα","","0.063","0.043","","","0.1313","0.1373","","","","","","0.96","","","","has coordinates","195114","2020-10-21","18:00:00",""
"7042150","9.4204","0.0005","8.8439","0.0006","16.058","0.0008","90","","99.851","0.005","90","","1318.12","0.13","185","2","185","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C8 H24 B2 N4 -","- C8 H24 B2 N4 -","- C32 H96 B8 N16 -","4","1","","Eck, Martin; Würtemberger-Pietsch, Sabrina; Eichhorn, Antonius; Berthel, Johannes H. J.; Bertermann, Rüdiger; Paul, Ursula S. D.; Schneider, Heidi; Friedrich, Alexandra; Kleeberg, Christian; Radius, Udo; Marder, Todd B.","B-B bond activation and NHC ring-expansion reactions of diboron(4) compounds, and accurate molecular structures of B2(NMe2)4, B2eg2, B2neop2 and B2pin2.","Dalton transactions (Cambridge, England : 2003)","2017","46","11","3661","3680","10.1039/c7dt00334j","","","0.71073","","","0.0646","0.0589","","","0.1553","0.1587","","","","","","1.161","","","","has coordinates","195114","2020-10-21","18:00:00",""
"7042151","10.1407","0.0007","14.8953","0.0009","19.4745","0.001","90","","98.798","0.006","90","","2907","0.3","100","2","100","2","","","","","","","","4","I 1 a 1","I -2ya","9","","","","- C12 H24 B2 O4 -","- C12 H24 B2 O4 -","- C96 H192 B16 O32 -","8","2","","Eck, Martin; Würtemberger-Pietsch, Sabrina; Eichhorn, Antonius; Berthel, Johannes H. J.; Bertermann, Rüdiger; Paul, Ursula S. D.; Schneider, Heidi; Friedrich, Alexandra; Kleeberg, Christian; Radius, Udo; Marder, Todd B.","B-B bond activation and NHC ring-expansion reactions of diboron(4) compounds, and accurate molecular structures of B2(NMe2)4, B2eg2, B2neop2 and B2pin2.","Dalton transactions (Cambridge, England : 2003)","2017","46","11","3661","3680","10.1039/c7dt00334j","","","0.71073","MoKα","","0.089","0.0558","","","0.1259","0.1492","","","","","","1.037","","","","has coordinates,has disorder","195114","2020-10-21","18:00:00",""
"7042152","14.7679","0.0015","14.778","0.0015","17.594","0.0018","81.575","0.003","81.666","0.003","62.615","0.002","3359.5","0.6","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","","","- C65 H104 B4 N8 O8 -","- C65 H104 B4 N8 O8 -","- C130 H208 B8 N16 O16 -","2","1","","Eck, Martin; Würtemberger-Pietsch, Sabrina; Eichhorn, Antonius; Berthel, Johannes H. J.; Bertermann, Rüdiger; Paul, Ursula S. D.; Schneider, Heidi; Friedrich, Alexandra; Kleeberg, Christian; Radius, Udo; Marder, Todd B.","B-B bond activation and NHC ring-expansion reactions of diboron(4) compounds, and accurate molecular structures of B2(NMe2)4, B2eg2, B2neop2 and B2pin2.","Dalton transactions (Cambridge, England : 2003)","2017","46","11","3661","3680","10.1039/c7dt00334j","","","0.71073","MoKα","","0.0504","0.038","","","0.0826","0.0886","","","","","","1.021","","","","has coordinates","195114","2020-10-21","18:00:00",""
"7042153","8.3809","0.0003","18.6842","0.0006","15.0663","0.0005","90","","99.245","0.002","90","","2328.59","0.14","100","2","100","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C25 H32 B2 N2 O4 -","- C25 H32 B2 N2 O4 -","- C100 H128 B8 N8 O16 -","4","1","","Eck, Martin; Würtemberger-Pietsch, Sabrina; Eichhorn, Antonius; Berthel, Johannes H. J.; Bertermann, Rüdiger; Paul, Ursula S. D.; Schneider, Heidi; Friedrich, Alexandra; Kleeberg, Christian; Radius, Udo; Marder, Todd B.","B-B bond activation and NHC ring-expansion reactions of diboron(4) compounds, and accurate molecular structures of B2(NMe2)4, B2eg2, B2neop2 and B2pin2.","Dalton transactions (Cambridge, England : 2003)","2017","46","11","3661","3680","10.1039/c7dt00334j","","","0.71073","MoKα","","0.0574","0.0422","","","0.1017","0.1103","","","","","","1.022","","","","has coordinates","195114","2020-10-21","18:00:00",""
"7042154","12.395","0.002","14.186","0.002","23.45","0.004","90.354","0.004","96.904","0.004","98.937","0.004","4042.4","1.1","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","","","- C42.5 H50 B2 N2 O4 -","- C42.5 H50 B2 N2 O4 -","- C170 H200 B8 N8 O16 -","4","2","","Eck, Martin; Würtemberger-Pietsch, Sabrina; Eichhorn, Antonius; Berthel, Johannes H. J.; Bertermann, Rüdiger; Paul, Ursula S. D.; Schneider, Heidi; Friedrich, Alexandra; Kleeberg, Christian; Radius, Udo; Marder, Todd B.","B-B bond activation and NHC ring-expansion reactions of diboron(4) compounds, and accurate molecular structures of B2(NMe2)4, B2eg2, B2neop2 and B2pin2.","Dalton transactions (Cambridge, England : 2003)","2017","46","11","3661","3680","10.1039/c7dt00334j","","","0.71073","MoKα","","0.056","0.0413","","","0.1012","0.1095","","","","","","1.016","","","","has coordinates","202518","2020-10-21","18:00:00",""
"7042155","7.5233","0.0013","12.07","0.002","21.443","0.004","94.556","0.005","92.752","0.005","106.214","0.005","1858.8","0.6","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","","","- C36 H56 B2 N4 O6 -","- C36 H56 B2 N4 O6 -","- C72 H112 B4 N8 O12 -","2","1","","Eck, Martin; Würtemberger-Pietsch, Sabrina; Eichhorn, Antonius; Berthel, Johannes H. J.; Bertermann, Rüdiger; Paul, Ursula S. D.; Schneider, Heidi; Friedrich, Alexandra; Kleeberg, Christian; Radius, Udo; Marder, Todd B.","B-B bond activation and NHC ring-expansion reactions of diboron(4) compounds, and accurate molecular structures of B2(NMe2)4, B2eg2, B2neop2 and B2pin2.","Dalton transactions (Cambridge, England : 2003)","2017","46","11","3661","3680","10.1039/c7dt00334j","","","0.71073","MoKα","","0.0998","0.0696","","","0.1403","0.1513","","","","","","1.097","","","","has coordinates","195114","2020-10-21","18:00:00",""
"7042156","19.0612","0.0013","15.4007","0.001","17.5352","0.0012","90","","108.309","0.002","90","","4887","0.6","100","2","100","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C42 H80 B4 N4 O8 -","- C42 H80 B4 N4 O8 -","- C168 H320 B16 N16 O32 -","4","1","","Eck, Martin; Würtemberger-Pietsch, Sabrina; Eichhorn, Antonius; Berthel, Johannes H. J.; Bertermann, Rüdiger; Paul, Ursula S. D.; Schneider, Heidi; Friedrich, Alexandra; Kleeberg, Christian; Radius, Udo; Marder, Todd B.","B-B bond activation and NHC ring-expansion reactions of diboron(4) compounds, and accurate molecular structures of B2(NMe2)4, B2eg2, B2neop2 and B2pin2.","Dalton transactions (Cambridge, England : 2003)","2017","46","11","3661","3680","10.1039/c7dt00334j","","","0.71073","MoKα","","0.0639","0.0508","","","0.1254","0.1345","","","","","","1.031","","","","has coordinates,has disorder","195114","2020-10-21","18:00:00",""
"7042157","13.6001","0.0009","15.4857","0.001","21.2461","0.0016","90","","91.861","0.002","90","","4472.2","0.5","100","2","100","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C48 H56 B2 N4 O6 -","- C48 H56 B2 N4 O6 -","- C192 H224 B8 N16 O24 -","4","1","","Eck, Martin; Würtemberger-Pietsch, Sabrina; Eichhorn, Antonius; Berthel, Johannes H. J.; Bertermann, Rüdiger; Paul, Ursula S. D.; Schneider, Heidi; Friedrich, Alexandra; Kleeberg, Christian; Radius, Udo; Marder, Todd B.","B-B bond activation and NHC ring-expansion reactions of diboron(4) compounds, and accurate molecular structures of B2(NMe2)4, B2eg2, B2neop2 and B2pin2.","Dalton transactions (Cambridge, England : 2003)","2017","46","11","3661","3680","10.1039/c7dt00334j","","","0.71073","MoKα","","0.0929","0.0615","","","0.1536","0.1723","","","","","","1.033","","","","has coordinates,has disorder","195114","2020-10-21","18:00:00",""
"7042158","14.1863","0.0009","16.4798","0.001","18.9462","0.0013","90","","90","","90","","4429.4","0.5","100","2","100","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C51 H58 B2 N2 O4 -","- C51 H58 B2 N2 O4 -","- C204 H232 B8 N8 O16 -","4","1","","Eck, Martin; Würtemberger-Pietsch, Sabrina; Eichhorn, Antonius; Berthel, Johannes H. J.; Bertermann, Rüdiger; Paul, Ursula S. D.; Schneider, Heidi; Friedrich, Alexandra; Kleeberg, Christian; Radius, Udo; Marder, Todd B.","B-B bond activation and NHC ring-expansion reactions of diboron(4) compounds, and accurate molecular structures of B2(NMe2)4, B2eg2, B2neop2 and B2pin2.","Dalton transactions (Cambridge, England : 2003)","2017","46","11","3661","3680","10.1039/c7dt00334j","","","0.71073","MoKα","","0.033","0.0288","","","0.0667","0.069","","","","","","1.028","","","","has coordinates","195114","2020-10-21","18:00:00",""
"7042159","9.4793","0.0008","9.8725","0.0009","13.4421","0.0011","79.62","0.002","78.062","0.002","87.549","0.002","1210.6","0.18","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","","","- C24 H37 B N4 O2 -","- C24 H37 B N4 O2 -","- C48 H74 B2 N8 O4 -","2","1","","Eck, Martin; Würtemberger-Pietsch, Sabrina; Eichhorn, Antonius; Berthel, Johannes H. J.; Bertermann, Rüdiger; Paul, Ursula S. D.; Schneider, Heidi; Friedrich, Alexandra; Kleeberg, Christian; Radius, Udo; Marder, Todd B.","B-B bond activation and NHC ring-expansion reactions of diboron(4) compounds, and accurate molecular structures of B2(NMe2)4, B2eg2, B2neop2 and B2pin2.","Dalton transactions (Cambridge, England : 2003)","2017","46","11","3661","3680","10.1039/c7dt00334j","","","0.71073","MoKα","","0.0558","0.0403","","","0.092","0.0999","","","","","","1.054","","","","has coordinates,has disorder","195114","2020-10-21","18:00:00",""
"7042160","9.9858","0.0013","15.1342","0.0019","16.584","0.002","90","","91.132","0.004","90","","2505.8","0.5","100","2","100","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C22 H40 B2 N4 O4 -","- C22 H40 B2 N4 O4 -","- C88 H160 B8 N16 O16 -","4","1","","Eck, Martin; Würtemberger-Pietsch, Sabrina; Eichhorn, Antonius; Berthel, Johannes H. J.; Bertermann, Rüdiger; Paul, Ursula S. D.; Schneider, Heidi; Friedrich, Alexandra; Kleeberg, Christian; Radius, Udo; Marder, Todd B.","B-B bond activation and NHC ring-expansion reactions of diboron(4) compounds, and accurate molecular structures of B2(NMe2)4, B2eg2, B2neop2 and B2pin2.","Dalton transactions (Cambridge, England : 2003)","2017","46","11","3661","3680","10.1039/c7dt00334j","","","0.71073","MoKα","","0.1761","0.0757","","","0.1239","0.1541","","","","","","1.018","","","","has coordinates","195114","2020-10-21","18:00:00",""
"7042161","24.003","0.003","24.003","0.003","85.886","0.013","90","","90","","90","","49483","12","100","","100","","","","","","","","","5","I 41/a :2","-I 4ad","88","","","","- C192 H220 Ga70 N36 S112 -","- C192 H220 Ga70 N36 S112 -","- C768 H880 Ga280 N144 S448 -","4","0.25","","Vaqueiro, P.; Makin, S.; Tong, Y.; Ewing, S. J.","A new class of hybrid super-supertetrahedral cluster and its assembly into a five-fold interpenetrating network.","Dalton transactions (Cambridge, England : 2003)","2017","46","12","3816","3819","10.1039/c7dt00280g","","","0.71073","MoKα","","0.128","0.0709","","0.1517","0.0755","0.0719","","","","","","1.1295","","","","has coordinates","195121","2020-10-21","18:00:00",""
"7042162","12.962","0.001","21.478","0.002","13.499","0.001","90","","116.556","0.006","90","","3361.6","0.5","173","2","173","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C28 H63 N O2 Si3 -","- C28 H63 N O2 Si3 -","- C112 H252 N4 O8 Si12 -","4","1","","Lerner, Hans-Wolfram; Bolte, Michael; Wagner, Matthias","Reaction of the thermo-labile triazenide Na[tBu3SiNNNSiMe3] with CO2: Formation of the imido carbonate (tBu3SiO)(Me3SiO)C=N-SitBu3 and carbamine acid (tBu3SiO)CONH2","Dalton Trans.","2017","","","","","10.1039/C7DT00173H","","","0.71073","MoKα","","0.1389","0.0575","","","0.1125","0.1389","","","","","","1.004","","","","has coordinates,has disorder","211177","2020-10-21","18:00:00",""
"7042163","9.0114","0.0005","13.1118","0.0008","14.1657","0.0009","77.395","0.001","89.923","0.001","82.143","0.001","1617.38","0.17","173","2","173","2","","","","","","","","5","P -1","-P 1","2","","","","- C13 H29 N O2 Si -","- C13 H29 N O2 Si -","- C52 H116 N4 O8 Si4 -","4","2","","Lerner, Hans-Wolfram; Bolte, Michael; Wagner, Matthias","Reaction of the thermo-labile triazenide Na[tBu3SiNNNSiMe3] with CO2: Formation of the imido carbonate (tBu3SiO)(Me3SiO)C=N-SitBu3 and carbamine acid (tBu3SiO)CONH2","Dalton Trans.","2017","","","","","10.1039/C7DT00173H","","","0.71073","MoKα","","0.1067","0.0718","","","0.1356","0.1511","","","","","","1.084","","","","has coordinates","211177","2020-10-21","18:00:00",""
"7042164","18.0504","0.0009","18.0504","0.0009","18.0504","0.0009","90","","90","","90","","5881.1","0.5","293","2","293","2","","","","","","","","6","P 21 3","P 2ac 2ab 3","198","","","","- C216 H300 Cl8 Fe4 N36 O32 -","- C216 H300 Cl8 Fe4 N36 O26.668 -","- C216 H300 Cl8 Fe4 N36 O26.668 -","1","0.0833333","","Han, Wang-Kang; Li, Zhi-Hua; Zhu, Wei; Li, Tao; Li, Zaijun; Ren, Xuehong; Gu, Zhi-Guo","Molecular isomerism induced Fe(ii) spin state difference based on the tautomerization of the 4(5)-methylimidazole group.","Dalton transactions (Cambridge, England : 2003)","2017","46","13","4218","4224","10.1039/c7dt00260b","","","0.71073","MoKα","","0.1573","0.1006","","","0.2464","0.2918","","","","","","0.98","","","","has coordinates,has disorder","195073","2020-10-21","18:00:00",""
"7042165","18.456","0.0005","18.456","0.0005","18.456","0.0005","90","","90","","90","","6286.6","0.3","293","2","293","2","","","","","","","","6","P 21 3","P 2ac 2ab 3","198","","","","- C57 H81 Cl2 Fe N9 O8 -","- C57 H81 Cl2 Fe0.33 N9 O7.92 -","- C228 H324 Cl8 Fe1.32 N36 O31.68 -","4","0.333333","","Han, Wang-Kang; Li, Zhi-Hua; Zhu, Wei; Li, Tao; Li, Zaijun; Ren, Xuehong; Gu, Zhi-Guo","Molecular isomerism induced Fe(ii) spin state difference based on the tautomerization of the 4(5)-methylimidazole group.","Dalton transactions (Cambridge, England : 2003)","2017","46","13","4218","4224","10.1039/c7dt00260b","","","0.71073","MoKα","","0.1635","0.0853","","","0.197","0.2369","","","","","","1.198","","","","has coordinates,has disorder","195073","2020-10-21","18:00:00",""
"7042166","17.6291","0.0012","17.7256","0.0009","18.9464","0.0012","90","","90","","90","","5920.5","0.6","293","2","293","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C57 H81 Cl2 Fe N9 O8 -","- C57 H81 Cl2 Fe N9 O8 -","- C228 H324 Cl8 Fe4 N36 O32 -","4","1","","Han, Wang-Kang; Li, Zhi-Hua; Zhu, Wei; Li, Tao; Li, Zaijun; Ren, Xuehong; Gu, Zhi-Guo","Molecular isomerism induced Fe(ii) spin state difference based on the tautomerization of the 4(5)-methylimidazole group.","Dalton transactions (Cambridge, England : 2003)","2017","46","13","4218","4224","10.1039/c7dt00260b","","","0.71073","MoKα","","0.1663","0.0848","","","0.2014","0.2495","","","","","","1.186","","","","has coordinates,has disorder","195073","2020-10-21","18:00:00",""
"7042167","13.199","0.0006","12.1266","0.0004","18.1368","0.0007","90","","108.542","0.004","90","","2752.3","0.2","100","2","100","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C31 H33 B F4 N4 O2 -","- C31 H33 B F4 N4 O2 -","- C124 H132 B4 F16 N16 O8 -","4","1","","Ou, Arnold; Wu, Linglin; Salvador, Alvaro; Sipos, Gellert; Zhao, Guangzhen; Skelton, Brian W.; Sobolev, Alexandre N.; Dorta, Reto","New, potentially chelating NHC ligands; synthesis, complexation studies, and preliminary catalytic evaluation.","Dalton transactions (Cambridge, England : 2003)","2017","46","11","3631","3641","10.1039/c6dt04534k","","","0.71073","MoKα","","0.1241","0.0634","","","0.1104","0.1324","","","","","","0.977","","","","has coordinates","195093","2020-10-21","18:00:00",""
"7042168","13.5331","0.0002","12.1105","0.0002","18.6051","0.0004","90","","109.562","0.002","90","","2873.24","0.1","100","2","100","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C33 H37 B F4 N4 -","- C33 H37 B F4 N4 -","- C132 H148 B4 F16 N16 -","4","1","","Ou, Arnold; Wu, Linglin; Salvador, Alvaro; Sipos, Gellert; Zhao, Guangzhen; Skelton, Brian W.; Sobolev, Alexandre N.; Dorta, Reto","New, potentially chelating NHC ligands; synthesis, complexation studies, and preliminary catalytic evaluation.","Dalton transactions (Cambridge, England : 2003)","2017","46","11","3631","3641","10.1039/c6dt04534k","","","0.71073","MoKα","","0.066","0.0521","","","0.1046","0.1105","","","","","","1.065","","","","has coordinates,has disorder","195093","2020-10-21","18:00:00",""
"7042169","24.3449","0.0005","9.4072","0.0002","22.655","0.0004","90","","93.178","0.002","90","","5180.41","0.18","100","2","100","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C31 H32 N4 O2 -","- C31 H32 N4 O2 -","- C248 H256 N32 O16 -","8","2","","Ou, Arnold; Wu, Linglin; Salvador, Alvaro; Sipos, Gellert; Zhao, Guangzhen; Skelton, Brian W.; Sobolev, Alexandre N.; Dorta, Reto","New, potentially chelating NHC ligands; synthesis, complexation studies, and preliminary catalytic evaluation.","Dalton transactions (Cambridge, England : 2003)","2017","46","11","3631","3641","10.1039/c6dt04534k","","","0.71073","MoKα","","0.0915","0.064","","","0.1338","0.1449","","","","","","1.029","","","","has coordinates","195093","2020-10-21","18:00:00",""
"7042170","10.68922","0.00011","10.80236","0.0001","23.3349","0.0003","90","","94.3129","0.001","90","","2686.82","0.05","100","2","100","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C33 H36 N4 -","- C33 H36 N4 -","- C132 H144 N16 -","4","1","","Ou, Arnold; Wu, Linglin; Salvador, Alvaro; Sipos, Gellert; Zhao, Guangzhen; Skelton, Brian W.; Sobolev, Alexandre N.; Dorta, Reto","New, potentially chelating NHC ligands; synthesis, complexation studies, and preliminary catalytic evaluation.","Dalton transactions (Cambridge, England : 2003)","2017","46","11","3631","3641","10.1039/c6dt04534k","","x-ray","1.54178","CuKα","","0.0437","0.0388","","","0.1071","0.1135","","","","","","0.99","","","","has coordinates","195093","2020-10-21","18:00:00",""
"7042171","33.1649","0.0007","11.2485","0.0002","18.6466","0.0003","90","","102.804","0.002","90","","6783.2","0.2","100","2","100","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C40 H41 Cl N4 O2 Pd -","- C40 H41 Cl N4 O2 Pd -","- C320 H328 Cl8 N32 O16 Pd8 -","8","1","","Ou, Arnold; Wu, Linglin; Salvador, Alvaro; Sipos, Gellert; Zhao, Guangzhen; Skelton, Brian W.; Sobolev, Alexandre N.; Dorta, Reto","New, potentially chelating NHC ligands; synthesis, complexation studies, and preliminary catalytic evaluation.","Dalton transactions (Cambridge, England : 2003)","2017","46","11","3631","3641","10.1039/c6dt04534k","","","0.71073","MoKα","","0.074","0.0535","","","0.1035","0.1107","","","","","","1.092","","","","has coordinates,has disorder","195093","2020-10-21","18:00:00",""
"7042172","86.5994","0.0008","25.6783","0.0003","12.9003","0.0002","90","","90","","90","","28686.7","0.6","100","2","100","2","","","","","","","","5","F d d 2","F 2 -2d","43","","","","- C42 H45 Cl N4 Pd -","- C42 H45 Cl N4 Pd -","- C1344 H1440 Cl32 N128 Pd32 -","32","2","","Ou, Arnold; Wu, Linglin; Salvador, Alvaro; Sipos, Gellert; Zhao, Guangzhen; Skelton, Brian W.; Sobolev, Alexandre N.; Dorta, Reto","New, potentially chelating NHC ligands; synthesis, complexation studies, and preliminary catalytic evaluation.","Dalton transactions (Cambridge, England : 2003)","2017","46","11","3631","3641","10.1039/c6dt04534k","","x-ray","0.71073","MoKα","","0.0689","0.0651","","","0.145","0.147","","","","","","1.192","","","","has coordinates","195093","2020-10-21","18:00:00",""
"7042173","21.783","0.0007","12.5026","0.0005","42.0112","0.0016","90","","99.268","0.004","90","","11292.1","0.7","100","2","100","2","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C58 H75 Cl6 N4 O2 P Ru -","- C58 H75 Cl6 N4 O2 P Ru -","- C464 H600 Cl48 N32 O16 P8 Ru8 -","8","2","","Ou, Arnold; Wu, Linglin; Salvador, Alvaro; Sipos, Gellert; Zhao, Guangzhen; Skelton, Brian W.; Sobolev, Alexandre N.; Dorta, Reto","New, potentially chelating NHC ligands; synthesis, complexation studies, and preliminary catalytic evaluation.","Dalton transactions (Cambridge, England : 2003)","2017","46","11","3631","3641","10.1039/c6dt04534k","","","1.54178","CuKα","","0.1003","0.0722","","","0.1872","0.2221","","","","","","1.053","","","","has coordinates,has disorder","195093","2020-10-21","18:00:00",""
"7042174","12.5108","0.0003","14.588","0.0004","15.8611","0.0004","81.376","0.002","82.25","0.002","86.811","0.002","2834.05","0.13","100","2","100","2","","","","","","","","6","P -1","-P 1","2","","","","- C60 H79 Cl6 N4 P Ru -","- C60 H79 Cl6 N4 P Ru -","- C120 H158 Cl12 N8 P2 Ru2 -","2","1","","Ou, Arnold; Wu, Linglin; Salvador, Alvaro; Sipos, Gellert; Zhao, Guangzhen; Skelton, Brian W.; Sobolev, Alexandre N.; Dorta, Reto","New, potentially chelating NHC ligands; synthesis, complexation studies, and preliminary catalytic evaluation.","Dalton transactions (Cambridge, England : 2003)","2017","46","11","3631","3641","10.1039/c6dt04534k","","x-ray","1.54178","CuKα","","0.0562","0.0486","","","0.1293","0.1366","","","","","","1.039","","","","has coordinates,has disorder","195093","2020-10-21","18:00:00",""
"7042175","13.067","0.0003","16.7164","0.0005","16.8853","0.0004","94.087","0.002","109.624","0.002","104.374","0.003","3316.64","0.17","100","2","100","2","","","","","","","","6","P -1","-P 1","2","","","","- C39 H44 Cl Ir N4 O2 -","- C39 H44 Cl Ir N4 O2 -","- C156 H176 Cl4 Ir4 N16 O8 -","4","2","","Ou, Arnold; Wu, Linglin; Salvador, Alvaro; Sipos, Gellert; Zhao, Guangzhen; Skelton, Brian W.; Sobolev, Alexandre N.; Dorta, Reto","New, potentially chelating NHC ligands; synthesis, complexation studies, and preliminary catalytic evaluation.","Dalton transactions (Cambridge, England : 2003)","2017","46","11","3631","3641","10.1039/c6dt04534k","","x-ray","0.71073","MoKα","","0.0508","0.0477","","","0.1283","0.1308","","","","","","1.035","","","","has coordinates,has disorder","195093","2020-10-21","18:00:00",""
"7042176","9.8111","0.0003","11.5132","0.0003","15.6027","0.0003","74.248","0.002","88.409","0.002","80.65","0.002","1673.47","0.08","100","2","100","2","","","","","","","","7","P -1","-P 1","2","","","","- C33.75 H32.5 Cl2.5 D1.5 Ir N4 O4.25 -","- C33.75 H32 Cl2.5 D1.5 Ir N4 O4.25 -","- C67.5 H64 Cl5 D3 Ir2 N8 O8.5 -","2","1","","Ou, Arnold; Wu, Linglin; Salvador, Alvaro; Sipos, Gellert; Zhao, Guangzhen; Skelton, Brian W.; Sobolev, Alexandre N.; Dorta, Reto","New, potentially chelating NHC ligands; synthesis, complexation studies, and preliminary catalytic evaluation.","Dalton transactions (Cambridge, England : 2003)","2017","46","11","3631","3641","10.1039/c6dt04534k","","","0.71073","MoKα","","0.0412","0.0361","","","0.0855","0.0884","","","","","","1","","","","has coordinates,has disorder","195093","2020-10-21","18:00:00",""
"7042177","14.3082","0.0002","14.4145","0.0001","15.9946","0.0002","90","","110.255","0.002","90","","3094.82","0.07","100","2","100","2","","","","","","","","6","I 1 2/a 1","-I 2ya","15","","","","- C35 H36 Cl Ir N4 O2 -","- C35 H36 Cl Ir N4 O2 -","- C140 H144 Cl4 Ir4 N16 O8 -","4","0.5","","Ou, Arnold; Wu, Linglin; Salvador, Alvaro; Sipos, Gellert; Zhao, Guangzhen; Skelton, Brian W.; Sobolev, Alexandre N.; Dorta, Reto","New, potentially chelating NHC ligands; synthesis, complexation studies, and preliminary catalytic evaluation.","Dalton transactions (Cambridge, England : 2003)","2017","46","11","3631","3641","10.1039/c6dt04534k","","","0.71073","MoKα","","0.0369","0.0308","","","0.0792","0.0826","","","","","","1.004","","","","has coordinates,has disorder","195093","2020-10-21","18:00:00",""
"7042178","10.2962","0.0006","14.368","0.0007","14.4014","0.0007","90","","109.111","0.002","90","","2013.06","0.18","150","2","149.99","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C18 H12 Fe2 O6 P2 -","- C18 H12 Fe2 O6 P2 -","- C72 H48 Fe8 O24 P8 -","4","1","","Rahaman, Ahibur; Gimbert-Suriñach, Carolina; Ficks, Arne; Ball, Graham E.; Bhadbhade, Mohan; Haukka, Matti; Higham, Lee; Nordlander, Ebbe; Colbran, Stephen B.","Bridgehead isomer effects in bis(phosphido)-bridged diiron hexacarbonyl proton reduction electrocatalysts.","Dalton transactions (Cambridge, England : 2003)","2017","46","10","3207","3222","10.1039/c6dt01494a","","","0.71073","MoKα","","0.0265","0.0229","","","0.0586","0.0604","","","","","","1.099","","","","has coordinates","195059","2020-10-21","18:00:00",""
"7042179","8.45114","0.00016","16.8793","0.0003","21.7282","0.0004","90","","90","","90","","3099.51","0.1","170","2","170","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C31 H15 Fe3 O11 P -","- C31 H15 Fe3 O11 P -","- C124 H60 Fe12 O44 P4 -","4","1","","Rahaman, Ahibur; Gimbert-Suriñach, Carolina; Ficks, Arne; Ball, Graham E.; Bhadbhade, Mohan; Haukka, Matti; Higham, Lee; Nordlander, Ebbe; Colbran, Stephen B.","Bridgehead isomer effects in bis(phosphido)-bridged diiron hexacarbonyl proton reduction electrocatalysts.","Dalton transactions (Cambridge, England : 2003)","2017","46","10","3207","3222","10.1039/c6dt01494a","","","0.71073","MoKα","","0.0257","0.0224","","","0.0517","0.0533","","","","","","1.07","","","","has coordinates","195059","2020-10-21","18:00:00",""
"7042180","11.8594","0.0016","12.046","0.0016","24.436","0.003","90","","90.571","0.006","90","","3490.7","0.8","150","2","150","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C36 H30 Fe4 O6 P2 -","- C36 H30 Fe4 O6 P2 -","- C144 H120 Fe16 O24 P8 -","4","1","","Rahaman, Ahibur; Gimbert-Suriñach, Carolina; Ficks, Arne; Ball, Graham E.; Bhadbhade, Mohan; Haukka, Matti; Higham, Lee; Nordlander, Ebbe; Colbran, Stephen B.","Bridgehead isomer effects in bis(phosphido)-bridged diiron hexacarbonyl proton reduction electrocatalysts.","Dalton transactions (Cambridge, England : 2003)","2017","46","10","3207","3222","10.1039/c6dt01494a","","","0.71073","MoKα","","0.0396","0.0269","","","0.0608","0.0672","","","","","","1.023","","","","has coordinates","195059","2020-10-21","18:00:00",""
"7042181","7.944","0.008","26.47","0.02","11.313","0.011","90","","93.73","0.04","90","","2374","4","150.01","","150.01","","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C48 H32 Fe2 O8 P2 -","- C48 H32 Fe2 O8 P2 -","- C96 H64 Fe4 O16 P4 -","2","1","","Rahaman, Ahibur; Gimbert-Suriñach, Carolina; Ficks, Arne; Ball, Graham E.; Bhadbhade, Mohan; Haukka, Matti; Higham, Lee; Nordlander, Ebbe; Colbran, Stephen B.","Bridgehead isomer effects in bis(phosphido)-bridged diiron hexacarbonyl proton reduction electrocatalysts.","Dalton transactions (Cambridge, England : 2003)","2017","46","10","3207","3222","10.1039/c6dt01494a","","","0.71073","MoKα","","0.1451","0.1106","","","0.2733","0.2961","","","","","","0.982","","","","has coordinates","195059","2020-10-21","18:00:00",""
"7042182","8.9932","0.0004","10.0403","0.0004","12.2463","0.0005","96.863","0.003","98.726","0.003","111.771","0.004","996.23","0.08","170","2","170","2","","","","","","","","5","P -1","-P 1","2","","","","- C18 H12 Fe2 O6 P2 -","- C18 H12 Fe2 O6 P2 -","- C36 H24 Fe4 O12 P4 -","2","1","","Rahaman, Ahibur; Gimbert-Suriñach, Carolina; Ficks, Arne; Ball, Graham E.; Bhadbhade, Mohan; Haukka, Matti; Higham, Lee; Nordlander, Ebbe; Colbran, Stephen B.","Bridgehead isomer effects in bis(phosphido)-bridged diiron hexacarbonyl proton reduction electrocatalysts.","Dalton transactions (Cambridge, England : 2003)","2017","46","10","3207","3222","10.1039/c6dt01494a","","","0.71073","MoKα","","0.0267","0.0236","","","0.0592","0.0611","","","","","","1.052","","","","has coordinates","195059","2020-10-21","18:00:00",""
"7042183","16.6343","0.0008","21.0742","0.0008","14.0639","0.0006","90","","108.465","0.001","90","","4676.3","0.4","153","2","153","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C25 H20 Cl N5 O4 Pt -","- C25 H20 Cl N5 O4 Pt -","- C200 H160 Cl8 N40 O32 Pt8 -","8","1","","Hebenbrock, Marian; Stegemann, Linda; Kösters, Jutta; Doltsinis, Nikos L.; Müller, Jens; Strassert, Cristian A.","Phosphorescent Pt(ii) complexes bearing a monoanionic C^N^N luminophore and tunable ancillary ligands.","Dalton transactions (Cambridge, England : 2003)","2017","46","10","3160","3169","10.1039/c7dt00393e","","","0.71073","MoKα","","0.0459","0.0343","","","0.08","0.0855","","","","","","1.025","","","","has coordinates","195058","2020-10-21","18:00:00",""
"7042184","5.7982","0.0001","11.2478","0.0003","24.4138","0.0006","90","","92.459","0.002","90","","1590.73","0.06","100","2","100","2","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","","","- C20 H16 N4 -","- C20 H16 N4 -","- C80 H64 N16 -","4","1","","Hebenbrock, Marian; Stegemann, Linda; Kösters, Jutta; Doltsinis, Nikos L.; Müller, Jens; Strassert, Cristian A.","Phosphorescent Pt(ii) complexes bearing a monoanionic C^N^N luminophore and tunable ancillary ligands.","Dalton transactions (Cambridge, England : 2003)","2017","46","10","3160","3169","10.1039/c7dt00393e","","","0.71073","MoKα","","0.064","0.0441","","","0.0979","0.1069","","","","","","1.019","","","","has coordinates","195058","2020-10-21","18:00:00",""
"7042185","11.3866","0.0015","11.7661","0.0016","13.1533","0.0018","90","","96.568","0.003","90","","1750.7","0.4","100","2","100","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C20 H15 Cl N4 Pt -","- C20 H15 Cl N4 Pt -","- C80 H60 Cl4 N16 Pt4 -","4","1","","Hebenbrock, Marian; Stegemann, Linda; Kösters, Jutta; Doltsinis, Nikos L.; Müller, Jens; Strassert, Cristian A.","Phosphorescent Pt(ii) complexes bearing a monoanionic C^N^N luminophore and tunable ancillary ligands.","Dalton transactions (Cambridge, England : 2003)","2017","46","10","3160","3169","10.1039/c7dt00393e","","","0.71073","MoKα","","0.0221","0.0209","","","0.0534","0.054","","","","","","1.073","","","","has coordinates","195058","2020-10-21","18:00:00",""
"7042186","12.004","0.0005","15.3488","0.0007","24.3776","0.0011","90","","90","","90","","4491.5","0.3","172","2","172","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C28 H20 N4 Pt -","- C28 H20 N4 Pt -","- C224 H160 N32 Pt8 -","8","1","","Hebenbrock, Marian; Stegemann, Linda; Kösters, Jutta; Doltsinis, Nikos L.; Müller, Jens; Strassert, Cristian A.","Phosphorescent Pt(ii) complexes bearing a monoanionic C^N^N luminophore and tunable ancillary ligands.","Dalton transactions (Cambridge, England : 2003)","2017","46","10","3160","3169","10.1039/c7dt00393e","","","0.71073","MoKα","","0.0241","0.0191","","","0.0442","0.0465","","","","","","1.071","","","","has coordinates","195058","2020-10-21","18:00:00",""
"7042187","8.6409","0.0004","10.4155","0.0004","12.0145","0.0007","111.192","0.005","96.107","0.004","98.791","0.004","980.88","0.09","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","","","- C15 H26.5 Cl2 N3 O6.83 -","- C15 H15 Cl2 N3 O6.829 -","- C30 H30 Cl4 N6 O13.658 -","2","1","","Stylianou, M.; Hadjiadamou, I.; Drouza, C.; Hayes, S. C.; Lariou, E.; Tantis, I.; Lianos, P.; Tsipis, A. C.; Keramidas, A. D.","Synthesis of new photosensitive H2BBQ(2+)[ZnCl4](2-)/[(ZnCl)2(μ-BBH)] complexes, through selective oxidation of H2O to H2O2.","Dalton transactions (Cambridge, England : 2003)","2017","46","11","3688","3699","10.1039/c6dt04643f","","","1.54184","CuKα","","0.0775","0.0718","","","0.196","0.2006","","","","","","1.051","","","","has coordinates,has disorder","195108","2020-10-21","18:00:00",""
"7042188","9.9033","0.0004","15.5532","0.0006","10.9352","0.0004","90","","99.474","0.004","90","","1661.35","0.11","100","2","100","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C15 H20 Cl2 N3 O3 -","- C15 H20 Cl2 N3 O3 -","- C60 H80 Cl8 N12 O12 -","4","1","","Stylianou, M.; Hadjiadamou, I.; Drouza, C.; Hayes, S. C.; Lariou, E.; Tantis, I.; Lianos, P.; Tsipis, A. C.; Keramidas, A. D.","Synthesis of new photosensitive H2BBQ(2+)[ZnCl4](2-)/[(ZnCl)2(μ-BBH)] complexes, through selective oxidation of H2O to H2O2.","Dalton transactions (Cambridge, England : 2003)","2017","46","11","3688","3699","10.1039/c6dt04643f","","","1.54184","CuKα","","0.0321","0.0304","","","0.0796","0.081","","","","","","1.046","","","","has coordinates","195108","2020-10-21","18:00:00",""
"7042189","11.7621","0.0006","11.2928","0.0005","23.8251","0.001","90","","91.6","0.004","90","","3163.4","0.3","100","2","100","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C30 H30 Cl4 N6 O3 Zn -","- C30 H30 Cl4 N6 O3 Zn -","- C120 H120 Cl16 N24 O12 Zn4 -","4","1","","Stylianou, M.; Hadjiadamou, I.; Drouza, C.; Hayes, S. C.; Lariou, E.; Tantis, I.; Lianos, P.; Tsipis, A. C.; Keramidas, A. D.","Synthesis of new photosensitive H2BBQ(2+)[ZnCl4](2-)/[(ZnCl)2(μ-BBH)] complexes, through selective oxidation of H2O to H2O2.","Dalton transactions (Cambridge, England : 2003)","2017","46","11","3688","3699","10.1039/c6dt04643f","","","1.54184","CuKα","","0.0604","0.0546","","","0.1531","0.1636","","","","","","1.036","","","","has coordinates","195108","2020-10-21","18:00:00",""
"7042190","9.3736","0.0004","15.0452","0.0005","26.422","0.0011","99.029","0.003","96.378","0.004","108.01","0.004","3448.8","0.3","100","2","100","2","","","","","","","","6","P -1","-P 1","2","","","","- C60 H80 Cl4 N12 O18 Zn4 -","- C60 H52 Cl4 N12 O18.09 Zn4 -","- C120 H104 Cl8 N24 O36.18 Zn8 -","2","1","","Stylianou, M.; Hadjiadamou, I.; Drouza, C.; Hayes, S. C.; Lariou, E.; Tantis, I.; Lianos, P.; Tsipis, A. C.; Keramidas, A. D.","Synthesis of new photosensitive H2BBQ(2+)[ZnCl4](2-)/[(ZnCl)2(μ-BBH)] complexes, through selective oxidation of H2O to H2O2.","Dalton transactions (Cambridge, England : 2003)","2017","46","11","3688","3699","10.1039/c6dt04643f","","","0.71073","MoKα","","0.1032","0.0769","","","0.1732","0.1864","","","","","","1.149","","","","has coordinates,has disorder","195108","2020-10-21","18:00:00",""
"7042191","9.7116","0.0013","37.383","0.005","10.8691","0.0015","90","","115.945","0.004","90","","3548.3","0.8","200","","200","","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C41 H36 Cl Cu N2 P2 -","- C41 H36 Cl Cu N2 P2 -","- C164 H144 Cl4 Cu4 N8 P8 -","4","1","","Ohara, Hiroki; Ogawa, Tomohiro; Yoshida, Masaki; Kobayashi, Atsushi; Kato, Masako","Reversible luminescent colour changes of mononuclear copper(i) complexes based on ligand exchange reactions by N-heteroaromatic vapours.","Dalton transactions (Cambridge, England : 2003)","2017","46","11","3755","3760","10.1039/c7dt00532f","","","0.71075","MoKα","","","0.0525","","","","0.1145","","","","","","1.058","","","","has coordinates","195099","2020-10-21","18:00:00",""
"7042192","11.456","0.0014","13.009","0.0017","13.566","0.002","78.89","0.007","68.086","0.006","66.559","0.006","1718.6","0.4","200","","200","","","","","","","","","6","P -1","-P 1","2","","","","- C40 H34 Cl Cu N2 P2 -","- C40 H34 Cl Cu N2 P2 -","- C80 H68 Cl2 Cu2 N4 P4 -","2","1","","Ohara, Hiroki; Ogawa, Tomohiro; Yoshida, Masaki; Kobayashi, Atsushi; Kato, Masako","Reversible luminescent colour changes of mononuclear copper(i) complexes based on ligand exchange reactions by N-heteroaromatic vapours.","Dalton transactions (Cambridge, England : 2003)","2017","46","11","3755","3760","10.1039/c7dt00532f","","","0.71075","MoKα","","","0.0343","","","","0.0895","","","","","","1.034","","","","has coordinates","195099","2020-10-21","18:00:00",""
"7042193","17.5136","0.0012","22.5139","0.0013","8.3615","0.0005","90","","98.739","0.004","90","","3258.7","0.4","296","2","296.15","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C32 H35 Gd O11 S -","- C32 H35 Gd O11 S -","- C128 H140 Gd4 O44 S4 -","4","1","","Khalfaoui, Ouafa; Beghidja, Adel; Long, Jérôme; Boussadia, Ahlem; Beghidja, Chahrazed; Guari, Yannick; Larionova, Joulia","Cinnamic acid derivative rare-earth dinuclear complexes and one-dimensional architectures: synthesis, characterization and magnetic properties.","Dalton transactions (Cambridge, England : 2003)","2017","46","12","3943","3952","10.1039/c7dt00326a","","","0.71073","MoKα","","0.1245","0.0834","","","0.1501","0.1637","","","","","","1.205","","","","has coordinates,has disorder","195135","2020-10-21","18:00:00",""
"7042194","7.7823","0.0001","13.4228","0.0002","16.1399","0.0003","83.547","0.001","81.117","0.001","88.217","0.001","1655.04","0.05","296","2","296","","","","","","","","","5","P -1","-P 1","2","","","","- C32 H33 Ce O10 S -","- C32 H33 Ce O10 S -","- C64 H66 Ce2 O20 S2 -","2","1","","Khalfaoui, Ouafa; Beghidja, Adel; Long, Jérôme; Boussadia, Ahlem; Beghidja, Chahrazed; Guari, Yannick; Larionova, Joulia","Cinnamic acid derivative rare-earth dinuclear complexes and one-dimensional architectures: synthesis, characterization and magnetic properties.","Dalton transactions (Cambridge, England : 2003)","2017","46","12","3943","3952","10.1039/c7dt00326a","","","0.71073","MoKα","","0.0331","0.027","","","0.0614","0.064","","","","","","1.046","","","","has coordinates","195135","2020-10-21","18:00:00",""
"7042195","17.488","0.0005","22.6191","0.0006","8.4758","0.0002","90","","98.997","0.001","90","","3311.46","0.15","296","2","296.15","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C32 H35 Ce O11 S -","- C32 H35 Ce O11 S -","- C128 H140 Ce4 O44 S4 -","4","1","","Khalfaoui, Ouafa; Beghidja, Adel; Long, Jérôme; Boussadia, Ahlem; Beghidja, Chahrazed; Guari, Yannick; Larionova, Joulia","Cinnamic acid derivative rare-earth dinuclear complexes and one-dimensional architectures: synthesis, characterization and magnetic properties.","Dalton transactions (Cambridge, England : 2003)","2017","46","12","3943","3952","10.1039/c7dt00326a","","","0.71073","MoKα","","0.0497","0.0456","","","0.09","0.0913","","","","","","1.322","","","","has coordinates,has disorder","195135","2020-10-21","18:00:00",""
"7042196","15.0687","0.0017","15.4141","0.0017","16.0754","0.0019","92.555","0.006","116.958","0.005","98.755","0.005","3261.9","0.7","296","2","296.15","","","","","","","","","6","P -1","-P 1","2","","","","- C65 H68.94 Dy2 N O21 S0.99 -","- C65 H68.94 Dy2 N O21 S0.99 -","- C130 H137.88 Dy4 N2 O42 S1.98 -","2","1","","Khalfaoui, Ouafa; Beghidja, Adel; Long, Jérôme; Boussadia, Ahlem; Beghidja, Chahrazed; Guari, Yannick; Larionova, Joulia","Cinnamic acid derivative rare-earth dinuclear complexes and one-dimensional architectures: synthesis, characterization and magnetic properties.","Dalton transactions (Cambridge, England : 2003)","2017","46","12","3943","3952","10.1039/c7dt00326a","","","0.71073","MoKα","","0.0707","0.0389","","","0.0879","0.1064","","","","","","1.009","","","","has coordinates,has disorder","195135","2020-10-21","18:00:00",""
"7042197","17.5183","0.0006","22.4699","0.0009","8.3297","0.0003","90","","98.672","0.002","90","","3241.4","0.2","296","2","296.15","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C32 H35 Dy O11 S -","- C32 H35 Dy O11 S -","- C128 H140 Dy4 O44 S4 -","4","1","","Khalfaoui, Ouafa; Beghidja, Adel; Long, Jérôme; Boussadia, Ahlem; Beghidja, Chahrazed; Guari, Yannick; Larionova, Joulia","Cinnamic acid derivative rare-earth dinuclear complexes and one-dimensional architectures: synthesis, characterization and magnetic properties.","Dalton transactions (Cambridge, England : 2003)","2017","46","12","3943","3952","10.1039/c7dt00326a","","","0.71073","MoKα","","0.0687","0.0494","","","0.0839","0.0887","","","","","","1.258","","","","has coordinates,has disorder","195135","2020-10-21","18:00:00",""
"7042198","7.7045","0.0001","13.4545","0.0003","16.089","0.0003","83.456","0.001","81.041","0.001","88.216","0.001","1636.56","0.05","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C32 H33 Nd O10 S -","- C32 H33 Nd O10 S -","- C64 H66 Nd2 O20 S2 -","2","1","","Khalfaoui, Ouafa; Beghidja, Adel; Long, Jérôme; Boussadia, Ahlem; Beghidja, Chahrazed; Guari, Yannick; Larionova, Joulia","Cinnamic acid derivative rare-earth dinuclear complexes and one-dimensional architectures: synthesis, characterization and magnetic properties.","Dalton transactions (Cambridge, England : 2003)","2017","46","12","3943","3952","10.1039/c7dt00326a","","","0.71073","MoKα","","0.0297","0.0237","","","0.0528","0.0555","","","","","","1.041","","","","has coordinates","195135","2020-10-21","18:00:00",""
"7042199","17.474","0.003","22.53","0.004","8.4222","0.0016","90","","98.658","0.007","90","","3277.9","1","296","","296.15","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C32 H35 Nd O11 S -","- C32 H35 Nd O11 S -","- C128 H140 Nd4 O44 S4 -","4","1","","Khalfaoui, Ouafa; Beghidja, Adel; Long, Jérôme; Boussadia, Ahlem; Beghidja, Chahrazed; Guari, Yannick; Larionova, Joulia","Cinnamic acid derivative rare-earth dinuclear complexes and one-dimensional architectures: synthesis, characterization and magnetic properties.","Dalton transactions (Cambridge, England : 2003)","2017","46","12","3943","3952","10.1039/c7dt00326a","","","0.71073","MoKα","","0.0652","0.0433","","","0.0803","0.0877","","","","","","1.066","","","","has coordinates,has disorder","195135","2020-10-21","18:00:00",""
"7042200","48.447","0.009","51.45","0.012","22.862","0.005","90","","90","","90","","56986","2","200","2","200","2","","","","","","","","8","F d d 2","F 2 -2d","43","","","","- C50 H52.5 B4 F16 N21 Ni2 O0.75 S4 -","- C49.6 H50.4 B4 F16 N20.8 Ni2 O0.7 S4 -","- C1587.2 H1612.8 B128 F512 N665.6 Ni64 O22.4 S128 -","32","2","","Yang, Lu; Zhao, Liang; Zhou, Zhen; He, Cheng; Sun, Hui; Duan, Chunying","A thiourea-functionalized metal-organic macrocycle for the catalysis of Michael additions and prominent size-selective effect.","Dalton transactions (Cambridge, England : 2003)","2017","46","12","4086","4092","10.1039/c6dt04299f","","","0.71073","MoKα","","0.1994","0.0952","","","0.2152","0.255","","","","","","0.954","","","","has coordinates,has disorder","195129","2020-10-21","18:00:00",""
"7042201","31.3107","0.0019","31.3107","0.0019","145.863","0.018","90","","90","","120","","123840","19","123","2","123","2","","","","","","","","6","R -3 c :H","-R 3 2""c","167","","","","- C128 H149 N40 Ni4 O24 S12.5 -","- C128 H137 N40 Ni4 O24 S12.5 -","- C2304 H2466 N720 Ni72 O432 S225 -","18","0.5","","Yang, Lu; Zhao, Liang; Zhou, Zhen; He, Cheng; Sun, Hui; Duan, Chunying","A thiourea-functionalized metal-organic macrocycle for the catalysis of Michael additions and prominent size-selective effect.","Dalton transactions (Cambridge, England : 2003)","2017","46","12","4086","4092","10.1039/c6dt04299f","","","0.71073","MoKα","","0.2916","0.111","","","0.2549","0.2867","","","","","","0.936","","","","has coordinates","195129","2020-10-21","18:00:00",""
"7042202","23.476","0.003","10.3734","0.0011","15.7959","0.0018","90","","127.074","0.002","90","","3069.1","0.6","115","2","115","2","","","","","","","synthesis","6","C 1 2/c 1","-C 2yc","15","","","","- C26 H22 Cl2 Fe N10 O12 -","- C26 H22 Cl2 Fe N10 O12 -","- C104 H88 Cl8 Fe4 N40 O48 -","4","0.5","","Bridonneau, Nathalie; Rigamonti, Luca; Poneti, Giordano; Pinkowicz, Dawid; Forni, Alessandra; Cornia, Andrea","Evidence of crystal packing effects in stabilizing high or low spin states of iron(ii) complexes with functionalized 2,6-bis(pyrazol-1-yl)pyridine ligands.","Dalton transactions (Cambridge, England : 2003)","2017","46","12","4075","4085","10.1039/c7dt00248c","","","0.71073","MoKα","","0.035","0.0318","","","0.0872","0.0898","","","","","","1.031","","","","has coordinates","195133","2020-10-21","18:00:00",""
"7042203","14.0675","0.001","16.2407","0.0011","18.2548","0.0011","90","","101.045","0.002","90","","4093.4","0.5","140","2","140","2","","","","","","","synthesis","6","P 1 21/n 1","-P 2yn","14","","","","- C34 H39 Cl2 Fe N13 O16 -","- C34 H39 Cl2 Fe N13 O16 -","- C136 H156 Cl8 Fe4 N52 O64 -","4","1","","Bridonneau, Nathalie; Rigamonti, Luca; Poneti, Giordano; Pinkowicz, Dawid; Forni, Alessandra; Cornia, Andrea","Evidence of crystal packing effects in stabilizing high or low spin states of iron(ii) complexes with functionalized 2,6-bis(pyrazol-1-yl)pyridine ligands.","Dalton transactions (Cambridge, England : 2003)","2017","46","12","4075","4085","10.1039/c7dt00248c","","","0.71073","MoKα","","0.1295","0.0928","","","0.2568","0.2869","","","","","","1.121","","","","has coordinates,has disorder","195133","2020-10-21","18:00:00",""
"7042204","8.963","0.0006","12.0248","0.001","21.8681","0.0016","92.67","0.007","98.16","0.005","111.839","0.004","2152.9","0.3","100","2","100","2","","","","","","","","6","P -1","-P 1","2","","","","- C62 H56 Br2 N18 O12 Pt2 -","- C62 H60 Br2 N18 O12 Pt2 -","- C62 H60 Br2 N18 O12 Pt2 -","1","0.5","","Marcos, Ismael; Domarco, Olaya; Peinador, Carlos; Fenández, Alberto; Fernández, Jesús J; Vázquez-García, Digna; García, Marcos D","Self-assembly of dinuclear Pd(ii)/Pt(ii) metallacyclic receptors incorporating N-heterocyclic carbene complexes as corners.","Dalton transactions (Cambridge, England : 2003)","2017","46","13","4182","4190","10.1039/c6dt04476j","","","0.71073","MoKα","","0.1288","0.0939","","","0.2516","0.2707","","","","","","1.167","","","","has coordinates,has disorder","195079","2020-10-21","18:00:00",""
"7042205","19.3158","0.0013","33.16","0.003","35.5","0.002","90","","90","","90","","22738","3","100","2","100","2","","","","","","","","7","F m m m","-F 2 2","69","","","","- C66 H66 F48 N19 O0 P8 Pd2 -","- C66 H66 F48 N19 P8 Pd2 -","- C528 H528 F384 N152 P64 Pd16 -","8","0.25","","Marcos, Ismael; Domarco, Olaya; Peinador, Carlos; Fenández, Alberto; Fernández, Jesús J; Vázquez-García, Digna; García, Marcos D","Self-assembly of dinuclear Pd(ii)/Pt(ii) metallacyclic receptors incorporating N-heterocyclic carbene complexes as corners.","Dalton transactions (Cambridge, England : 2003)","2017","46","13","4182","4190","10.1039/c6dt04476j","","","0.71073","MoKα","","0.2314","0.1396","","","0.3672","0.3967","","","","","","1.385","","","","has coordinates","195079","2020-10-21","18:00:00",""
"7042206","18.117","0.003","12.5038","0.0017","17.872","0.003","90","","116.367","0.006","90","","3627.4","1","100","2","100","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","NiC18H24","","","- C39 H49 N3 Ni O2 -","- C39 H49 N3 Ni O2 -","- C156 H196 N12 Ni4 O8 -","4","1","","Treadwell, LaRico J.; Boyle, Timothy J.; Phelan, W. Adam; Parkes, Marie V.; Young, David P.","Synthesis and characterization of a series of nickel(II) alkoxide precursors and their utility for Ni(0) nanoparticle production","Dalton Trans.","2017","","","","","10.1039/C6DT04083G","","","0.71073","MoKα","","0.1225","0.0528","","","0.1164","0.1485","","","","","","1.002","","","","has coordinates","192475","2020-10-21","18:00:00",""
"7042207","9.5179","0.0005","14.6472","0.0008","15.7614","0.0008","90","","105.031","0.002","90","","2122.13","0.19","100","2","100","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","NioPP2Py3","","","- C38 H42 N4 Ni O2 -","- C38 H42 N4 Ni O2 -","- C76 H84 N8 Ni2 O4 -","2","0.5","","Treadwell, LaRico J.; Boyle, Timothy J.; Phelan, W. Adam; Parkes, Marie V.; Young, David P.","Synthesis and characterization of a series of nickel(II) alkoxide precursors and their utility for Ni(0) nanoparticle production","Dalton Trans.","2017","","","","","10.1039/C6DT04083G","","","0.71073","MoKα","","0.0569","0.0426","","","0.1095","0.1184","","","","","","1.035","","","","has coordinates","192475","2020-10-21","18:00:00",""
"7042208","11.6216","0.0006","15.5037","0.001","19.9185","0.0012","90","","92.902","0.002","90","","3584.3","0.4","102","2","102","2","","","","","","","","5","P 1 21 1","P 2yb","4","NiDPhP","","","- C46 H36 N2 Ni O2 -","- C46 H36 N2 Ni O2 -","- C184 H144 N8 Ni4 O8 -","4","2","","Treadwell, LaRico J.; Boyle, Timothy J.; Phelan, W. Adam; Parkes, Marie V.; Young, David P.","Synthesis and characterization of a series of nickel(II) alkoxide precursors and their utility for Ni(0) nanoparticle production","Dalton Trans.","2017","","","","","10.1039/C6DT04083G","","","0.71073","MoKα","","0.0406","0.0378","","","0.0951","0.0963","","","","","","1.125","","","","has coordinates","192475","2020-10-21","18:00:00",""
"7042209","12.6799","0.0016","13.4323","0.0016","19.632","0.002","90","","98.808","0.007","90","","3304.3","0.7","100","2","100","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","NioMP2Py","","","- C35 H41 N3 Ni O2 -","- C35 H41 N3 Ni O2 -","- C140 H164 N12 Ni4 O8 -","4","0.5","","Treadwell, LaRico J.; Boyle, Timothy J.; Phelan, W. Adam; Parkes, Marie V.; Young, David P.","Synthesis and characterization of a series of nickel(II) alkoxide precursors and their utility for Ni(0) nanoparticle production","Dalton Trans.","2017","","","","","10.1039/C6DT04083G","","","0.71073","MoKα","","0.2131","0.0769","","","0.1622","0.2204","","","","","","0.932","","","","has coordinates","192475","2020-10-21","18:00:00",""
"7042210","10.0616","0.0014","10.629","0.0015","10.9455","0.0016","78.105","0.006","64.315","0.005","64.238","0.005","949.8","0.2","100","2","100","2","","","","","","","","5","P -1","-P 1","2","Nio2MP2PY","","","- C44 H44 N6 Ni O2 -","- C44 H44 N6 Ni O2 -","- C44 H44 N6 Ni O2 -","1","0.5","","Treadwell, LaRico J.; Boyle, Timothy J.; Phelan, W. Adam; Parkes, Marie V.; Young, David P.","Synthesis and characterization of a series of nickel(II) alkoxide precursors and their utility for Ni(0) nanoparticle production","Dalton Trans.","2017","","","","","10.1039/C6DT04083G","","","0.71073","MoKα","","0.0391","0.0306","","","0.0606","0.0645","","","","","","1.063","","","","has coordinates","192475","2020-10-21","18:00:00",""
"7042211","14.5737","0.0006","10.2425","0.0004","22.9227","0.0009","90","","99.204","0.002","90","","3377.6","0.2","100","2","100","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","NiNR2 + DBP","","","- C38 H52 N2 Ni O2 -","- C38 H52 N2 Ni O2 -","- C152 H208 N8 Ni4 O8 -","4","1","","Treadwell, LaRico J.; Boyle, Timothy J.; Phelan, W. Adam; Parkes, Marie V.; Young, David P.","Synthesis and characterization of a series of nickel(II) alkoxide precursors and their utility for Ni(0) nanoparticle production","Dalton Trans.","2017","","","","","10.1039/C6DT04083G","","","0.71073","MoKα","","0.1053","0.0457","","","0.0748","0.0946","","","","","","1.005","","","","has coordinates","192475","2020-10-21","18:00:00",""
"7042213","28.5122","0.0006","11.1716","0.0002","18.7315","0.0003","90","","123.991","0.002","90","","4947","0.2","298","","298","","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C38 H46 N4 O26 S2 Zn3 -","- C38 H46 N4 O26 S2 Zn3 -","- C152 H184 N16 O104 S8 Zn12 -","4","0.5","","Yang, Xiao-Dong; Sun, Li; Chen, Cheng; Zhang, Ya-Jun; Zhang, Jie","Anion-controlled photochromism of two bipyridinium-based coordination polymers and nondestructive luminescence readout.","Dalton transactions (Cambridge, England : 2003)","2017","46","13","4366","4372","10.1039/c7dt00452d","","","1.54178","CuKα","","0.0402","0.0352","","","0.0992","0.1036","","","","","","1.063","","","","has coordinates","195070","2020-10-21","18:00:00",""
"7042214","15.7072","0.0003","10.713","0.0002","24.4618","0.0006","90","","94.28","0.002","90","","4104.74","0.15","296","","296","","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C19 H19 Br0.4 N2.6 O8.8 Zn -","- C19 H15 N2 O5 Zn -","- C152 H120 N16 O40 Zn8 -","8","1","","Yang, Xiao-Dong; Sun, Li; Chen, Cheng; Zhang, Ya-Jun; Zhang, Jie","Anion-controlled photochromism of two bipyridinium-based coordination polymers and nondestructive luminescence readout.","Dalton transactions (Cambridge, England : 2003)","2017","46","13","4366","4372","10.1039/c7dt00452d","","","1.54178","CuKα","","0.2188","0.2135","","","0.5628","0.5745","","","","","","3.089","","","","has coordinates","195070","2020-10-21","18:00:00",""
"7042215","17.9819","0.0015","16.6637","0.0014","17.6944","0.0015","90","","90","","90","","5302","0.8","100","","100","","","","","","","","","7","P n a 21","P 2c -2n","33","","","","- C52 H40 B2 F11 Fe P3 Pd -","- C52 H40 B2 F11 Fe P3 Pd -","- C208 H160 B8 F44 Fe4 P12 Pd4 -","4","1","","Cabrera, K. D.; Rowland, A. T.; Szarko, J. M.; Diaconescu, P. L.; Bezpalko, M. W.; Kassel, W. S.; Nataro, C.","Monodentate phosphine substitution in [Pd(κ(3)-dppf)(PR3)][BF4]2 (dppf = 1,1'-bis(diphenylphosphino)ferrocene) compounds.","Dalton transactions (Cambridge, England : 2003)","2017","46","17","5702","5710","10.1039/c6dt04921d","","","0.71073","MoKα","","0.0419","0.0358","","0.095","0.0898","0.095","","","","","","0.9944","","","","has coordinates,has disorder","196396","2020-10-21","18:00:00",""
"7042216","14.9021","0.0003","14.9021","0.0003","23.59","0.0006","90","","90","","120","","4536.84","0.17","180","2","180","2","","","","","","","","5","P -6","P -6","174","","","","- C69 H87 Eu O30 Ti6 -","- C69 H86.25 Eu O30 Ti6 -","- C138 H172.5 Eu2 O60 Ti12 -","2","0.333333","","Li, Ning; García-Rodríguez, Raúl; Matthews, Peter D.; Luo, He-Kuan; Wright, Dominic S.","Synthesis, structure and paramagnetic NMR analysis of a series of lanthanide-containing [LnTi6O3(O(i)Pr)9(salicylate)6] cages.","Dalton transactions (Cambridge, England : 2003)","2017","46","13","4287","4295","10.1039/c7dt00049a","","","1.54178","CuKα","","0.0514","0.05","","","0.1546","0.1555","","","","","","1.14","","","","has coordinates,has disorder","195072","2020-10-21","18:00:00",""
"7042217","14.8834","0.0004","14.8834","0.0004","23.59","0.0008","90","","90","","120","","4525.5","0.2","180","2","180","2","","","","","","","","5","P -6","P -6","174","","","","- C69 H87 Ho O30 Ti6 -","- C69 H86.25 Ho O30 Ti6 -","- C138 H172.5 Ho2 O60 Ti12 -","2","0.333333","","Li, Ning; García-Rodríguez, Raúl; Matthews, Peter D.; Luo, He-Kuan; Wright, Dominic S.","Synthesis, structure and paramagnetic NMR analysis of a series of lanthanide-containing [LnTi6O3(O(i)Pr)9(salicylate)6] cages.","Dalton transactions (Cambridge, England : 2003)","2017","46","13","4287","4295","10.1039/c7dt00049a","","","1.54178","CuKα","","0.0692","0.0655","","","0.185","0.1914","","","","","","1.104","","","","has coordinates,has disorder","195072","2020-10-21","18:00:00",""
"7042218","15.034","0.0003","15.034","0.0003","23.8089","0.0006","90","","90","","120","","4660.36","0.18","180","2","180","2","","","","","","","","5","P -6","P -6","174","","","","- C69 H87 Er O30 Ti6 -","- C69 H86.25 Er O30 Ti6 -","- C138 H172.5 Er2 O60 Ti12 -","2","0.333333","","Li, Ning; García-Rodríguez, Raúl; Matthews, Peter D.; Luo, He-Kuan; Wright, Dominic S.","Synthesis, structure and paramagnetic NMR analysis of a series of lanthanide-containing [LnTi6O3(O(i)Pr)9(salicylate)6] cages.","Dalton transactions (Cambridge, England : 2003)","2017","46","13","4287","4295","10.1039/c7dt00049a","","","1.54178","CuKα","","0.0556","0.052","","","0.154","0.1576","","","","","","1.113","","","","has coordinates,has disorder","195072","2020-10-21","18:00:00",""
"7042219","14.9065","0.0003","14.9065","0.0003","23.6229","0.0006","90","","90","","120","","4545.85","0.17","180","2","180","2","","","","","","","","5","P -6","P -6","174","","","","- C69 H87 Dy O30 Ti6 -","- C69 H86.25 Dy O30 Ti6 -","- C138 H172.5 Dy2 O60 Ti12 -","2","0.333333","","Li, Ning; García-Rodríguez, Raúl; Matthews, Peter D.; Luo, He-Kuan; Wright, Dominic S.","Synthesis, structure and paramagnetic NMR analysis of a series of lanthanide-containing [LnTi6O3(O(i)Pr)9(salicylate)6] cages.","Dalton transactions (Cambridge, England : 2003)","2017","46","13","4287","4295","10.1039/c7dt00049a","","","1.54178","CuKα","","0.0589","0.055","","","0.1594","0.1647","","","","","","1.113","","","","has coordinates,has disorder","195072","2020-10-21","18:00:00",""
"7042220","15.028","0.0004","15.028","0.0004","23.6224","0.0009","90","","90","","120","","4620.2","0.2","180","2","180","2","","","","","","","","5","P -6","P -6","174","","","","- C69 H87 Ce O30 Ti6 -","- C69 H87 Ce O30 Ti6 -","- C138 H174 Ce2 O60 Ti12 -","2","0.333333","","Li, Ning; García-Rodríguez, Raúl; Matthews, Peter D.; Luo, He-Kuan; Wright, Dominic S.","Synthesis, structure and paramagnetic NMR analysis of a series of lanthanide-containing [LnTi6O3(O(i)Pr)9(salicylate)6] cages.","Dalton transactions (Cambridge, England : 2003)","2017","46","13","4287","4295","10.1039/c7dt00049a","","","1.54178","CuKα","","0.0711","0.0688","","","0.1884","0.191","","","","","","1.062","","","","has coordinates,has disorder","195072","2020-10-21","18:00:00",""
"7042221","14.9365","0.0003","14.9365","0.0003","23.6008","0.0006","90","","90","","120","","4559.9","0.17","180","2","180","2","","","","","","","","5","P -6","P -6","174","","","","- C69 H87 O30 Tb Ti6 -","- C69 H86.25 O30 Tb Ti6 -","- C138 H172.5 O60 Tb2 Ti12 -","2","0.333333","","Li, Ning; García-Rodríguez, Raúl; Matthews, Peter D.; Luo, He-Kuan; Wright, Dominic S.","Synthesis, structure and paramagnetic NMR analysis of a series of lanthanide-containing [LnTi6O3(O(i)Pr)9(salicylate)6] cages.","Dalton transactions (Cambridge, England : 2003)","2017","46","13","4287","4295","10.1039/c7dt00049a","","","1.54184","CuKα","","0.0707","0.0684","","","0.192","0.1949","","","","","","1.101","","","","has coordinates,has disorder","195072","2020-10-21","18:00:00",""
"7042222","14.9683","0.0004","14.9683","0.0004","23.6974","0.0009","90","","90","","120","","4598.1","0.2","180","2","180","2","","","","","","","","5","P -6","P -6","174","","","","- C69 H87 O30 Sm Ti6 -","- C69 H86.25 O30 Sm Ti6 -","- C138 H172.5 O60 Sm2 Ti12 -","2","0.333333","","Li, Ning; García-Rodríguez, Raúl; Matthews, Peter D.; Luo, He-Kuan; Wright, Dominic S.","Synthesis, structure and paramagnetic NMR analysis of a series of lanthanide-containing [LnTi6O3(O(i)Pr)9(salicylate)6] cages.","Dalton transactions (Cambridge, England : 2003)","2017","46","13","4287","4295","10.1039/c7dt00049a","","","1.54178","CuKα","","0.0398","0.0377","","","0.1","0.1018","","","","","","1.126","","","","has coordinates,has disorder","195072","2020-10-21","18:00:00",""
"7042223","14.9147","0.0004","22.5136","0.0006","25.099","0.0007","90","","90","","90","","8427.8","0.4","180","2","180","2","","","","","","","","5","P n m a","-P 2ac 2n","62","","","","- C69 H87 Eu O30 Ti6 -","- C69 H84 Eu O30 Ti6 -","- C276 H336 Eu4 O120 Ti24 -","4","0.5","","Li, Ning; García-Rodríguez, Raúl; Matthews, Peter D.; Luo, He-Kuan; Wright, Dominic S.","Synthesis, structure and paramagnetic NMR analysis of a series of lanthanide-containing [LnTi6O3(O(i)Pr)9(salicylate)6] cages.","Dalton transactions (Cambridge, England : 2003)","2017","46","13","4287","4295","10.1039/c7dt00049a","","","1.54178","CuKα","","0.049","0.0385","","","0.0909","0.0971","","","","","","1.032","","","","has coordinates,has disorder","195072","2020-10-21","18:00:00",""
"7042224","14.9227","0.0004","14.9227","0.0004","23.5803","0.0008","90","","90","","120","","4547.5","0.2","180","2","180","2","","","","","","","","5","P -6","P -6","174","","","","- C69 H87 Gd O30 Ti6 -","- C69 H86.25 Gd O30 Ti6 -","- C138 H172.5 Gd2 O60 Ti12 -","2","0.333333","","Li, Ning; García-Rodríguez, Raúl; Matthews, Peter D.; Luo, He-Kuan; Wright, Dominic S.","Synthesis, structure and paramagnetic NMR analysis of a series of lanthanide-containing [LnTi6O3(O(i)Pr)9(salicylate)6] cages.","Dalton transactions (Cambridge, England : 2003)","2017","46","13","4287","4295","10.1039/c7dt00049a","","","1.54178","CuKα","","0.0728","0.0698","","","0.1918","0.1961","","","","","","1.126","","","","has coordinates,has disorder","195072","2020-10-21","18:00:00",""
"7042225","14.9289","0.0004","14.9289","0.0004","23.5597","0.0007","90","","90","","120","","4547.3","0.2","180","2","180","2","","","","","","","","5","P -6","P -6","174","","","","- C69 H87 Nd O30 Ti6 -","- C69 H87 Nd O30 Ti6 -","- C138 H174 Nd2 O60 Ti12 -","2","0.333333","","Li, Ning; García-Rodríguez, Raúl; Matthews, Peter D.; Luo, He-Kuan; Wright, Dominic S.","Synthesis, structure and paramagnetic NMR analysis of a series of lanthanide-containing [LnTi6O3(O(i)Pr)9(salicylate)6] cages.","Dalton transactions (Cambridge, England : 2003)","2017","46","13","4287","4295","10.1039/c7dt00049a","","","1.54178","CuKα","","0.0708","0.0603","","","0.1638","0.1729","","","","","","1.118","","","","has coordinates,has disorder","195072","2020-10-21","18:00:00",""
"7042226","14.9478","0.0006","14.9478","0.0006","23.5581","0.0011","90","","90","","120","","4558.5","0.3","180","2","180","2","","","","","","","","5","P -6","P -6","174","","","","- C69 H87 O30 Pr Ti6 -","- C69 H87.63 O30 Pr Ti6 -","- C138 H175.26 O60 Pr2 Ti12 -","2","0.333333","","Li, Ning; García-Rodríguez, Raúl; Matthews, Peter D.; Luo, He-Kuan; Wright, Dominic S.","Synthesis, structure and paramagnetic NMR analysis of a series of lanthanide-containing [LnTi6O3(O(i)Pr)9(salicylate)6] cages.","Dalton transactions (Cambridge, England : 2003)","2017","46","13","4287","4295","10.1039/c7dt00049a","","","1.54184","CuKα","","0.0879","0.0792","","","0.2114","0.2215","","","","","","1.132","","","","has coordinates,has disorder","195072","2020-10-21","18:00:00",""
"7042227","15.0084","0.0004","15.0084","0.0004","23.5238","0.0007","90","","90","","120","","4588.9","0.2","180","2","180","2","","","","","","","","5","P -6","P -6","174","","","","- C69 H87 La O30 Ti6 -","- C69 H87 La O30 Ti6 -","- C138 H174 La2 O60 Ti12 -","2","0.333333","","Li, Ning; García-Rodríguez, Raúl; Matthews, Peter D.; Luo, He-Kuan; Wright, Dominic S.","Synthesis, structure and paramagnetic NMR analysis of a series of lanthanide-containing [LnTi6O3(O(i)Pr)9(salicylate)6] cages.","Dalton transactions (Cambridge, England : 2003)","2017","46","13","4287","4295","10.1039/c7dt00049a","","","1.54178","CuKα","","0.0678","0.0667","","","0.1886","0.19","","","","","","1.154","","","","has coordinates,has disorder","195072","2020-10-21","18:00:00",""
"7042228","27.672","0.016","13.486","0.008","17.289","0.01","90","","126.191","0.008","90","","5207","5","296","2","296","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","2","[Cp*Fe(?-η2:η2-bdt)(?-S2)FeCp*]","","- C26 H34 Fe2 S4 -","- C26 H34 Fe2 S4 -","- C208 H272 Fe16 S32 -","8","1","","Ji, Xiaoxiao; Tong, Peng; Yang, Dawei; Wang, Baomin; Zhao, Jinfeng; Li, Yang; Qu, Jingping","Synthesis, structural characterization and conversion of dinuclear iron-sulfur clusters containing the disulfide ligand: [Cp*Fe(μ-η(2):η(2)-bdt)(cis-μ-η(1):η(1)-S2)FeCp*], [Cp*Fe(μ-S(C6H4S2))(cis-μ-η(1):η(1)-S2)FeCp*], and [{Cp*Fe(bdt)}2(trans-μ-η(1):η(1)-S2)].","Dalton transactions (Cambridge, England : 2003)","2017","46","12","3820","3824","10.1039/c7dt00450h","","","0.71073","MoKα","","0.1402","0.0736","","","0.1617","0.194","","","","","","1.06","","","","has coordinates","195119","2020-10-21","18:00:00",""
"7042229","11.0709","0.0003","18.7405","0.0005","8.3665","0.0002","90","","106.604","0.001","90","","1663.45","0.08","296","2","296","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","4","[{Cp*(bdt)Fe}2(S2)]","","- C32 H38 Fe2 S6 -","- C32 H38 Fe2 S6 -","- C64 H76 Fe4 S12 -","2","0.5","","Ji, Xiaoxiao; Tong, Peng; Yang, Dawei; Wang, Baomin; Zhao, Jinfeng; Li, Yang; Qu, Jingping","Synthesis, structural characterization and conversion of dinuclear iron-sulfur clusters containing the disulfide ligand: [Cp*Fe(μ-η(2):η(2)-bdt)(cis-μ-η(1):η(1)-S2)FeCp*], [Cp*Fe(μ-S(C6H4S2))(cis-μ-η(1):η(1)-S2)FeCp*], and [{Cp*Fe(bdt)}2(trans-μ-η(1):η(1)-S2)].","Dalton transactions (Cambridge, England : 2003)","2017","46","12","3820","3824","10.1039/c7dt00450h","","","0.71073","MoKα","","0.0407","0.0339","","","0.095","0.0992","","","","","","1.085","","","","has coordinates","195119","2020-10-21","18:00:00",""
"7042230","15.281","0.005","21.433","0.007","8.29","0.003","90","","90","","90","","2715.1","1.6","296","2","296","2","","","","","","","","4","P n m a","-P 2ac 2n","62","3","[Cp*Fe(?-S(C6H4S2)(?-S2)FeCp*]","","- C26 H34 Fe2 S5 -","- C26 H34 Fe2 S5 -","- C104 H136 Fe8 S20 -","4","0.5","","Ji, Xiaoxiao; Tong, Peng; Yang, Dawei; Wang, Baomin; Zhao, Jinfeng; Li, Yang; Qu, Jingping","Synthesis, structural characterization and conversion of dinuclear iron-sulfur clusters containing the disulfide ligand: [Cp*Fe(μ-η(2):η(2)-bdt)(cis-μ-η(1):η(1)-S2)FeCp*], [Cp*Fe(μ-S(C6H4S2))(cis-μ-η(1):η(1)-S2)FeCp*], and [{Cp*Fe(bdt)}2(trans-μ-η(1):η(1)-S2)].","Dalton transactions (Cambridge, England : 2003)","2017","46","12","3820","3824","10.1039/c7dt00450h","","","0.71073","MoKα","","0.1138","0.0617","","","0.113","0.128","","","","","","1.225","","","","has coordinates","195119","2020-10-21","18:00:00",""
"7042231","13.2584","0.0003","12.7142","0.0003","13.3824","0.0003","90","","98.196","0.002","90","","2232.83","0.09","145","2","145","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C9 H10 B Mn N2 O3 -","- C9 H10 B Mn N2 O3 -","- C72 H80 B8 Mn8 N16 O24 -","8","1","","Brugos, Javier; Cabeza, Javier A.; García-Álvarez, Pablo; Pérez-Carreño, Enrique; Van der Maelen, Juan F.","Octahedral manganese(i) and ruthenium(ii) complexes containing 2-(methylamido)pyridine-borane as a tripod κ(3)N,H,H-ligand.","Dalton transactions (Cambridge, England : 2003)","2017","46","12","4009","4017","10.1039/c7dt00378a","","","1.5418","CuKα","","0.0289","0.0271","","","0.0749","0.0767","","","","","","1.077","","","","has coordinates","195120","2020-10-21","18:00:00",""
"7042232","7.4628","0.0002","15.8516","0.0003","16.3342","0.0003","90","","92.34","0.002","90","","1930.68","0.07","151","2","151","2","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C16 H32 B N2 O P Ru -","- C16 H32 B N2 O P Ru -","- C64 H128 B4 N8 O4 P4 Ru4 -","4","1","","Brugos, Javier; Cabeza, Javier A.; García-Álvarez, Pablo; Pérez-Carreño, Enrique; Van der Maelen, Juan F.","Octahedral manganese(i) and ruthenium(ii) complexes containing 2-(methylamido)pyridine-borane as a tripod κ(3)N,H,H-ligand.","Dalton transactions (Cambridge, England : 2003)","2017","46","12","4009","4017","10.1039/c7dt00378a","","","1.5418","CuKα","","0.0242","0.023","","","0.0556","0.0564","","","","","","1.041","","","","has coordinates","195120","2020-10-21","18:00:00",""
"7042233","16.4872","0.0004","10.6284","0.0002","16.6583","0.0004","90","","118.313","0.0008","90","","2569.87","0.1","100","2","100","2","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C30 H23 Br0.69 Cl0.31 Ni O3 P2 -","- C30 H23 Br0.686 Cl0.314 Ni O3 P2 -","- C120 H92 Br2.744 Cl1.256 Ni4 O12 P8 -","4","1","","Salomón-Flores, María K; Bazany-Rodríguez, Iván J; Martínez-Otero, Diego; García-Eleno, Marco A; Guerra-García, Jorge J; Morales-Morales, David; Dorazco-González, Alejandro","Bifunctional colorimetric chemosensing of fluoride and cyanide ions by nickel-POCOP pincer receptors.","Dalton transactions (Cambridge, England : 2003)","2017","46","15","4950","4959","10.1039/c6dt04897h","","","0.71073","MoKα","","0.038","0.0297","","","0.0675","0.0708","","","","","","1.037","","","","has coordinates,has disorder","196461","2020-10-21","18:00:00",""
"7042234","24.248","0.005","4.0519","0.001","30.236","0.009","90","","101.062","0.012","90","","2915.5","1.3","110","","110","","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C7 H8 Br4 Hg2 N2 O -","- C7 H8 Br4 Hg2 N2 O -","- C56 H64 Br32 Hg16 N16 O8 -","8","1","","Azizpoor Fard, Mahmood; Behnia, Ava; Puddephatt, Richard J.","Coordination chemistry of mercury(ii) with 2-pyridylnitrones: monomers to polymers.","Dalton transactions (Cambridge, England : 2003)","2017","46","11","3579","3587","10.1039/c7dt00050b","","","0.71073","MoKα","","0.0537","0.0399","","","0.0795","0.0841","","","","","","1.056","","","","has coordinates","195102","2020-10-21","18:00:00",""
"7042235","11.6676","0.0005","8.2857","0.0003","15.1174","0.0006","90","","110.631","0.002","90","","1367.74","0.1","110","","110","","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C10 H14 Br2 Hg N2 O -","- C10 H14 Br2 Hg N2 O -","- C40 H56 Br8 Hg4 N8 O4 -","4","1","","Azizpoor Fard, Mahmood; Behnia, Ava; Puddephatt, Richard J.","Coordination chemistry of mercury(ii) with 2-pyridylnitrones: monomers to polymers.","Dalton transactions (Cambridge, England : 2003)","2017","46","11","3579","3587","10.1039/c7dt00050b","","","0.71073","MoKα","","0.0483","0.0342","","","0.0878","0.0986","","","","","","1.082","","","","has coordinates","195102","2020-10-21","18:00:00",""
"7042236","8.826","0.003","12.179","0.003","13.318","0.004","103.855","0.014","109.337","0.014","105.385","0.01","1215.2","0.7","110","","110","","","","","","","","","6","P -1","-P 1","2","","","","- C30 H42 Br10 Hg5 N6 O3 -","- C30 H42 Br10 Hg5 N6 O3 -","- C30 H42 Br10 Hg5 N6 O3 -","1","0.5","","Azizpoor Fard, Mahmood; Behnia, Ava; Puddephatt, Richard J.","Coordination chemistry of mercury(ii) with 2-pyridylnitrones: monomers to polymers.","Dalton transactions (Cambridge, England : 2003)","2017","46","11","3579","3587","10.1039/c7dt00050b","","","0.71073","MoKα","","0.0619","0.05","","","0.128","0.1313","","","","","","1.227","","","","has coordinates,has disorder","195102","2020-10-21","18:00:00",""
"7042237","11.177","0.005","12.427","0.004","7.338","0.003","90","","99.362","0.012","90","","1005.6","0.7","110","","110","","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C7 H8 Cl2 Hg N2 O -","- C7 H8 Cl2 Hg N2 O -","- C28 H32 Cl8 Hg4 N8 O4 -","4","1","","Azizpoor Fard, Mahmood; Behnia, Ava; Puddephatt, Richard J.","Coordination chemistry of mercury(ii) with 2-pyridylnitrones: monomers to polymers.","Dalton transactions (Cambridge, England : 2003)","2017","46","11","3579","3587","10.1039/c7dt00050b","","","0.71073","MoKα","","0.0275","0.0193","","","0.0382","0.0399","","","","","","1.03","","","","has coordinates","195102","2020-10-21","18:00:00",""
"7042238","8.936","0.004","13.151","0.006","9.486","0.003","90","","116.655","0.014","90","","996.3","0.7","110","","110","","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C10 H14 Hg2 I4 N2 O -","- C10 H14 Hg2 I4 N2 O -","- C20 H28 Hg4 I8 N4 O2 -","2","1","","Azizpoor Fard, Mahmood; Behnia, Ava; Puddephatt, Richard J.","Coordination chemistry of mercury(ii) with 2-pyridylnitrones: monomers to polymers.","Dalton transactions (Cambridge, England : 2003)","2017","46","11","3579","3587","10.1039/c7dt00050b","","","0.71073","MoKα","","0.0449","0.0415","","","0.0948","0.0961","","","","","","1.051","","","","has coordinates","195102","2020-10-21","18:00:00",""
"7042239","25.096","0.004","4.3521","0.0008","30.983","0.006","90","","100.799","0.012","90","","3324","1","110","","110","","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C7 H8 Hg2 I4 N2 O -","- C7 H8 Hg2 I4 N2 O -","- C56 H64 Hg16 I32 N16 O8 -","8","1","","Azizpoor Fard, Mahmood; Behnia, Ava; Puddephatt, Richard J.","Coordination chemistry of mercury(ii) with 2-pyridylnitrones: monomers to polymers.","Dalton transactions (Cambridge, England : 2003)","2017","46","11","3579","3587","10.1039/c7dt00050b","","","0.71073","MoKα","","0.0456","0.0397","","","0.1055","0.1079","","","","","","1.129","","","","has coordinates","195102","2020-10-21","18:00:00",""
"7042240","8.292","0.003","16.703","0.005","11.941","0.002","90","","91.668","0.009","90","","1653.1","0.8","110","","110","","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C10 H14 Cl4 Hg2 N2 O -","- C10 H14 Cl4 Hg2 N2 O -","- C40 H56 Cl16 Hg8 N8 O4 -","4","1","","Azizpoor Fard, Mahmood; Behnia, Ava; Puddephatt, Richard J.","Coordination chemistry of mercury(ii) with 2-pyridylnitrones: monomers to polymers.","Dalton transactions (Cambridge, England : 2003)","2017","46","11","3579","3587","10.1039/c7dt00050b","","","0.71073","MoKα","","0.0312","0.028","","","0.0816","0.0909","","","","","","1.353","","","","has coordinates","195102","2020-10-21","18:00:00",""
"7042241","7.9636","0.0007","12.4983","0.0012","13.5112","0.0012","89.71","0.002","87.268","0.002","81.87","0.002","1329.8","0.2","150","2","150","2","","","","","","","","6","P -1","-P 1","2","","","","- C24 H35 B N8 O Pd -","- C24 H35 B N8 O Pd -","- C48 H70 B2 N16 O2 Pd2 -","2","1","","Daryanavard, Marzieh; Armstrong, David; Lough, Alan J.; Fekl, Ulrich","The first palladium(iv) aryldiazenido complex: relevance for C-C coupling.","Dalton transactions (Cambridge, England : 2003)","2017","46","12","4004","4008","10.1039/c7dt00078b","","","0.71073","MoKα","","0.0548","0.0372","","","0.079","0.0862","","","","","","1.02","","","","has coordinates","195123","2020-10-21","18:00:00",""
"7042242","16.3066","0.0009","9.8567","0.0006","25.2093","0.0014","90","","90","","90","","4051.9","0.4","110","2","110","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C18 H31 B N6 Pd -","- C18 H31 B N6 Pd -","- C144 H248 B8 N48 Pd8 -","8","1","","Daryanavard, Marzieh; Armstrong, David; Lough, Alan J.; Fekl, Ulrich","The first palladium(iv) aryldiazenido complex: relevance for C-C coupling.","Dalton transactions (Cambridge, England : 2003)","2017","46","12","4004","4008","10.1039/c7dt00078b","","","0.71073","MoKα","","0.0354","0.0271","","","0.0585","0.0621","","","","","","1.067","","","","has coordinates","195123","2020-10-21","18:00:00",""
"7042243","10.956","0.0005","11.2392","0.0004","12.1874","0.0004","104.953","0.003","90.779","0.003","93.973","0.003","1445.64","0.1","298","2","298","2","","","","","","","","6","P -1","-P 1","2","","","","- C44 H86 Co2 Ho2 N2 O20 -","- C44 H86 Co2 Ho2 N2 O20 -","- C44 H86 Co2 Ho2 N2 O20 -","1","0.5","","Funes, Alejandro V.; Carrella, Luca; Rechkemmer, Yvonne; van Slageren, Joris; Rentschler, Eva; Alborés, Pablo","Synthesis, structural characterization and magnetic behaviour of a family of [CoLn] butterfly compounds.","Dalton transactions (Cambridge, England : 2003)","2017","46","10","3400","3409","10.1039/c6dt04713k","","","0.71069","MoKα","","0.0586","0.0391","","","0.0799","0.0934","","","","","","1.027","","","","has coordinates,has disorder","195056","2020-10-21","18:00:00",""
"7042244","10.9196","0.0009","11.1887","0.0005","12.1589","0.001","105.292","0.006","90.692","0.007","93.941","0.005","1428.84","0.18","298","2","298","2","","","","","","","","6","P -1","-P 1","2","","","","- C44 H86 Co2 Er2 N2 O20 -","- C44 H86 Co2 Er2 N2 O20 -","- C44 H86 Co2 Er2 N2 O20 -","1","0.5","","Funes, Alejandro V.; Carrella, Luca; Rechkemmer, Yvonne; van Slageren, Joris; Rentschler, Eva; Alborés, Pablo","Synthesis, structural characterization and magnetic behaviour of a family of [CoLn] butterfly compounds.","Dalton transactions (Cambridge, England : 2003)","2017","46","10","3400","3409","10.1039/c6dt04713k","","","0.71069","MoKα","","0.0326","0.0265","","","0.0605","0.0644","","","","","","1.056","","","","has coordinates,has disorder","195056","2020-10-21","18:00:00",""
"7042245","10.9445","0.0015","11.2284","0.0015","12.2089","0.0016","104.544","0.011","90.934","0.011","94.486","0.011","1446.8","0.3","298","2","298","2","","","","","","","","6","P -1","-P 1","2","","","","- C44 H86 Co2 N2 O20 Tb2 -","- C44 H86 Co2 N2 O20 Tb2 -","- C44 H86 Co2 N2 O20 Tb2 -","1","0.5","","Funes, Alejandro V.; Carrella, Luca; Rechkemmer, Yvonne; van Slageren, Joris; Rentschler, Eva; Alborés, Pablo","Synthesis, structural characterization and magnetic behaviour of a family of [CoLn] butterfly compounds.","Dalton transactions (Cambridge, England : 2003)","2017","46","10","3400","3409","10.1039/c6dt04713k","","","0.71073","MoKα","","0.0376","0.0304","","","0.0701","0.0746","","","","","","1","","","","has coordinates,has disorder","195056","2020-10-21","18:00:00",""
"7042246","10.9901","0.0006","11.2049","0.0005","12.142","0.0004","105.44","0.003","90.945","0.004","93.375","0.004","1437.94","0.11","170","3","170","3","","","","","","","","6","P -1","-P 1","2","","","","- C44 H86 Co2 N2 O20 Yb2 -","- C44 H86 Co2 N2 O20 Yb2 -","- C44 H86 Co2 N2 O20 Yb2 -","1","0.5","","Funes, Alejandro V.; Carrella, Luca; Rechkemmer, Yvonne; van Slageren, Joris; Rentschler, Eva; Alborés, Pablo","Synthesis, structural characterization and magnetic behaviour of a family of [CoLn] butterfly compounds.","Dalton transactions (Cambridge, England : 2003)","2017","46","10","3400","3409","10.1039/c6dt04713k","","","0.71069","MoKα","","0.0336","0.0279","","","0.0638","0.0692","","","","","","1.054","","","","has coordinates,has disorder","195056","2020-10-21","18:00:00",""
"7042247","10.3082","0.001","15.7274","0.0013","20.7623","0.0018","76.602","0.007","80.498","0.007","76.496","0.008","3161.9","0.5","298","2","298","2","","","","","","","","6","P -1","-P 1","2","","","","- C45 H90 Co2 Gd2 N2 O21 -","- C45 H90 Co2 Gd2 N2 O21 -","- C90 H180 Co4 Gd4 N4 O42 -","2","1","","Funes, Alejandro V.; Carrella, Luca; Rechkemmer, Yvonne; van Slageren, Joris; Rentschler, Eva; Alborés, Pablo","Synthesis, structural characterization and magnetic behaviour of a family of [CoLn] butterfly compounds.","Dalton transactions (Cambridge, England : 2003)","2017","46","10","3400","3409","10.1039/c6dt04713k","","","0.71073","MoKα","","0.06","0.0379","","","0.078","0.0923","","","","","","1.077","","","","has coordinates,has disorder","195056","2020-10-21","18:00:00",""
"7042248","9.7257","0.0015","10.3432","0.0017","12.758","0.002","96.545","0.003","99.302","0.003","109.982","0.003","1170.3","0.3","150","","150","","","","","","","","","5","P -1","-P 1","2","","","","- C26 H33 Al N P -","- C26 H33 Al N P -","- C52 H66 Al2 N2 P2 -","2","1","","Zijlstra, Harmen S.; Pahl, Jürgen; Penafiel, Johanne; Harder, Sjoerd","""Masked"" Lewis-acidity of an aluminum α-phosphinoamide complex.","Dalton transactions (Cambridge, England : 2003)","2017","46","11","3601","3610","10.1039/c7dt00318h","","","0.71073","MoKα","","0.0398","0.0341","","","0.0834","0.0869","","","","","","1.037","","","","has coordinates","195103","2020-10-21","18:00:00",""
"7042249","9.833","0.0012","10.037","0.0006","28.666","0.006","90","","90","","90","","2829.2","0.7","150","","150","","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C30 H41 Al N O P -","- C30 H41 Al N O P -","- C120 H164 Al4 N4 O4 P4 -","4","1","","Zijlstra, Harmen S.; Pahl, Jürgen; Penafiel, Johanne; Harder, Sjoerd","""Masked"" Lewis-acidity of an aluminum α-phosphinoamide complex.","Dalton transactions (Cambridge, England : 2003)","2017","46","11","3601","3610","10.1039/c7dt00318h","","","0.71073","MoKα","","0.047","0.04","","","0.1012","0.1049","","","","","","1.129","","","","has coordinates","195103","2020-10-21","18:00:00",""
"7042250","9.296","0.002","16.751","0.003","18.941","0.005","88.25","0.02","89.542","0.016","80.584","0.016","2908.3","1.1","150","2","150","","","","","","","","","6","P -1","-P 1","2","","","","- C60 H82 Al2 N2 P2 S2 -","- C60 H82 Al2 N2 P2 S2 -","- C120 H164 Al4 N4 P4 S4 -","2","1","","Zijlstra, Harmen S.; Pahl, Jürgen; Penafiel, Johanne; Harder, Sjoerd","""Masked"" Lewis-acidity of an aluminum α-phosphinoamide complex.","Dalton transactions (Cambridge, England : 2003)","2017","46","11","3601","3610","10.1039/c7dt00318h","","","0.71073","MoKα","","0.1377","0.0743","","","0.1372","0.1645","","","","","","1.041","","","","has coordinates,has disorder","195103","2020-10-21","18:00:00",""
"7042251","9.292","0.0008","17.633","0.0013","20.632","0.001","90","","90","","90","","3380.5","0.4","150","","150","","","","","","","","","5","P c a 21","P 2c -2ac","29","","","","- C38 H51 Al N P -","- C38 H51 Al N P -","- C152 H204 Al4 N4 P4 -","4","1","","Zijlstra, Harmen S.; Pahl, Jürgen; Penafiel, Johanne; Harder, Sjoerd","""Masked"" Lewis-acidity of an aluminum α-phosphinoamide complex.","Dalton transactions (Cambridge, England : 2003)","2017","46","11","3601","3610","10.1039/c7dt00318h","","","0.71073","MoKα","","0.0542","0.041","","","0.0973","0.1043","","","","","","1.119","","","","has coordinates","195103","2020-10-21","18:00:00",""
"7042252","13.7591","0.0008","16.2381","0.0011","18.71","0.0005","90","","117.082","0.004","90","","3721.9","0.4","100","","100","","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C39 H50 Al N2 O P -","- C39 H50 Al N2 O P -","- C156 H200 Al4 N8 O4 P4 -","4","1","","Zijlstra, Harmen S.; Pahl, Jürgen; Penafiel, Johanne; Harder, Sjoerd","""Masked"" Lewis-acidity of an aluminum α-phosphinoamide complex.","Dalton transactions (Cambridge, England : 2003)","2017","46","11","3601","3610","10.1039/c7dt00318h","","","0.71073","MoKα","","0.0612","0.0431","","","0.1162","0.1302","","","","","","1.147","","","","has coordinates","195103","2020-10-21","18:00:00",""
"7042253","14.055","0.0003","12.331","0.0007","19.982","0.0009","90","","126.651","0.004","90","","2778.4","0.3","150","","150","","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C60 H72 Al2 N2 O4 P2 -","- C60 H72 Al2 N2 O4 P2 -","- C120 H144 Al4 N4 O8 P4 -","2","0.5","","Zijlstra, Harmen S.; Pahl, Jürgen; Penafiel, Johanne; Harder, Sjoerd","""Masked"" Lewis-acidity of an aluminum α-phosphinoamide complex.","Dalton transactions (Cambridge, England : 2003)","2017","46","11","3601","3610","10.1039/c7dt00318h","","","0.71073","MoKα","","0.0526","0.0372","","","0.0995","0.1118","","","","","","1.112","","","","has coordinates","195103","2020-10-21","18:00:00",""
"7042254","8.5554","0.0003","14.01","","14.658","","68.476","0.011","75.226","0.014","77.465","0.015","1565.41","0.16","163","2","163","2","","","","","","","","7","P -1","-P 1","2","","","","- C33 H21 F6 N6 O4 P Ru -","- C33 H21 F6 N6 O4 P Ru -","- C66 H42 F12 N12 O8 P2 Ru2 -","2","1","","Ghosh, Debashis; Fukushima, Takashi; Kobayashi, Katsuaki; Sen, Susan; Kitagawa, Susumu; Kato, Tatsuhisa; Tanaka, Koji","Base assisted C-C coupling between carbonyl and polypyridyl ligands in a Ru-NADH-type carbonyl complex.","Dalton transactions (Cambridge, England : 2003)","2017","46","13","4373","4381","10.1039/c7dt00312a","","","0.71075","MoKα","","0.0545","0.0477","","","0.1247","0.1298","","","","","","1.02","","","","has coordinates","195080","2020-10-21","18:00:00",""
"7042255","16.9299","0.0004","16.5148","0.0003","11.382","0.0003","90","","100.74","0.002","90","","3126.59","0.13","93","","93","","","","","","","","","8","P 1 21/c 1","-P 2ybc","14","","","","- C33 H24 B F10 N6 O P Ru -","- C33 H24 B F10 N6 O P Ru -","- C132 H96 B4 F40 N24 O4 P4 Ru4 -","4","1","","Ghosh, Debashis; Fukushima, Takashi; Kobayashi, Katsuaki; Sen, Susan; Kitagawa, Susumu; Kato, Tatsuhisa; Tanaka, Koji","Base assisted C-C coupling between carbonyl and polypyridyl ligands in a Ru-NADH-type carbonyl complex.","Dalton transactions (Cambridge, England : 2003)","2017","46","13","4373","4381","10.1039/c7dt00312a","","","0.71075","MoKα","","0.0632","0.0591","","","0.1592","0.1624","","","","","","1.06","","","","has coordinates","195080","2020-10-21","18:00:00",""
"7042256","8.4666","0.0011","11.6275","0.0014","16.1049","0.0019","90.226","0.005","98.86","0.008","97.136","0.007","1554","0.3","173","2","173","2","","","","","","","","6","P -1","-P 1","2","","","","- C33 H21 Cl N6 O6.5 Ru -","- C33 H21 Cl N6 O6.5 Ru -","- C66 H42 Cl2 N12 O13 Ru2 -","2","1","","Ghosh, Debashis; Fukushima, Takashi; Kobayashi, Katsuaki; Sen, Susan; Kitagawa, Susumu; Kato, Tatsuhisa; Tanaka, Koji","Base assisted C-C coupling between carbonyl and polypyridyl ligands in a Ru-NADH-type carbonyl complex.","Dalton transactions (Cambridge, England : 2003)","2017","46","13","4373","4381","10.1039/c7dt00312a","","","0.71075","MoKα","","0.057","0.0492","","","0.1279","0.1347","","","","","","1.039","","","","has coordinates","195080","2020-10-21","18:00:00",""
"7042257","11.4581","0.0005","32.7007","0.0012","21.723","0.0011","90","","93.48","0.005","90","","8124.3","0.6","93","2","93","2","","","","","","","","7","I 1 2/a 1","-I 2ya","15","","","","- C33 H22 F12 N6 O P2 Ru -","- C33 H22 F12 N6 O P2 Ru -","- C264 H176 F96 N48 O8 P16 Ru8 -","8","1","","Ghosh, Debashis; Fukushima, Takashi; Kobayashi, Katsuaki; Sen, Susan; Kitagawa, Susumu; Kato, Tatsuhisa; Tanaka, Koji","Base assisted C-C coupling between carbonyl and polypyridyl ligands in a Ru-NADH-type carbonyl complex.","Dalton transactions (Cambridge, England : 2003)","2017","46","13","4373","4381","10.1039/c7dt00312a","","","0.71075","MoKα","","0.1324","0.0818","","","0.2087","0.2429","","","","","","1.041","","","","has coordinates","195080","2020-10-21","18:00:00",""
"7042258","9.8529","0.0005","12.7192","0.0007","12.8221","0.0008","100.086","0.005","92.916","0.004","106.819","0.005","1505.56","0.16","120","2","120","2","","","","","","","","4","P -1","-P 1","2","","","","- C36 H34 N2 Si2 -","- C36 H34 N2 Si2 -","- C72 H68 N4 Si4 -","2","1","","Bradley, Mark A.; Birchall, Chris; Blake, Alexander J.; Lewis, William; Moxey, Graeme J.; Kays, Deborah L.","1,8-Bis(silylamido)naphthalene complexes of magnesium and zinc synthesised through alkane elimination reactions.","Dalton transactions (Cambridge, England : 2003)","2017","46","12","4101","4110","10.1039/c7dt00471k","","x-ray","1.54184","CuKα","","0.0544","0.048","","","0.1288","0.1344","","","","","","1.078","","","","has coordinates","195128","2020-10-21","18:00:00",""
"7042259","8.6851","0.0009","11.9556","0.0008","20.1125","0.0013","75.089","0.006","80.26","0.007","72.972","0.008","1919.6","0.3","90","2","90","2","","","","","","","","6","P -1","-P 1","2","","","","- C44 H48 Mg N2 O2 Si2 -","- C44 H48 Mg N2 O2 Si2 -","- C88 H96 Mg2 N4 O4 Si4 -","2","1","","Bradley, Mark A.; Birchall, Chris; Blake, Alexander J.; Lewis, William; Moxey, Graeme J.; Kays, Deborah L.","1,8-Bis(silylamido)naphthalene complexes of magnesium and zinc synthesised through alkane elimination reactions.","Dalton transactions (Cambridge, England : 2003)","2017","46","12","4101","4110","10.1039/c7dt00471k","","x-ray","1.54184","CuKα","","0.1701","0.1128","","","0.2528","0.2775","","","","","","1.108","","","","has coordinates","195128","2020-10-21","18:00:00",""
"7042260","20.089","0.005","10.28","0.003","24.015","0.006","90","","105.207","0.005","90","","4786","2","90","2","90","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C52 H66 Mg2 N2 O2 Si2 -","- C52 H66 Mg2 N2 O2 Si2 -","- C208 H264 Mg8 N8 O8 Si8 -","4","0.5","","Bradley, Mark A.; Birchall, Chris; Blake, Alexander J.; Lewis, William; Moxey, Graeme J.; Kays, Deborah L.","1,8-Bis(silylamido)naphthalene complexes of magnesium and zinc synthesised through alkane elimination reactions.","Dalton transactions (Cambridge, England : 2003)","2017","46","12","4101","4110","10.1039/c7dt00471k","","","0.71073","MoKα","","0.1262","0.0984","","","0.2013","0.2109","","","","","","1.154","","","","has coordinates","195128","2020-10-21","18:00:00",""
"7042261","14.4729","0.0005","17.2445","0.0006","32.0382","0.0009","90","","90","","90","","7996","0.5","120","2","120","2","","","","","","","","6","P b c a","-P 2ac 2ab","61","","","","- C38 H70 Mg2 N2 O2 Si2 -","- C38 H70 Mg2 N2 O2 Si2 -","- C304 H560 Mg16 N16 O16 Si16 -","8","1","","Bradley, Mark A.; Birchall, Chris; Blake, Alexander J.; Lewis, William; Moxey, Graeme J.; Kays, Deborah L.","1,8-Bis(silylamido)naphthalene complexes of magnesium and zinc synthesised through alkane elimination reactions.","Dalton transactions (Cambridge, England : 2003)","2017","46","12","4101","4110","10.1039/c7dt00471k","","x-ray","1.54184","CuKα","","0.0463","0.0428","","","0.1171","0.1211","","","","","","1.037","","","","has coordinates,has disorder","195128","2020-10-21","18:00:00",""
"7042262","9.9259","0.0003","16.7724","0.0004","20.3979","0.0005","90","","96.839","0.002","90","","3371.7","0.15","90","2","90","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C38 H38 N2 Si2 Zn2 -","- C38 H38 N2 Si2 Zn2 -","- C152 H152 N8 Si8 Zn8 -","4","1","","Bradley, Mark A.; Birchall, Chris; Blake, Alexander J.; Lewis, William; Moxey, Graeme J.; Kays, Deborah L.","1,8-Bis(silylamido)naphthalene complexes of magnesium and zinc synthesised through alkane elimination reactions.","Dalton transactions (Cambridge, England : 2003)","2017","46","12","4101","4110","10.1039/c7dt00471k","","x-ray","1.54184","CuKα","","0.048","0.0382","","","0.0996","0.1048","","","","","","1.047","","","","has coordinates","195128","2020-10-21","18:00:00",""
"7042263","14.345","0.004","14.986","0.004","19.71","0.006","90","","90.481","0.005","90","","4237","2","90","2","90","2","","","","","","","","7","C 1 2/c 1","-C 2yc","15","","","","- C44 H52 Br2 Mg2 N2 O2 Si2 -","- C44 H52 Br2 Mg2 N2 O2 Si2 -","- C176 H208 Br8 Mg8 N8 O8 Si8 -","4","0.5","","Bradley, Mark A.; Birchall, Chris; Blake, Alexander J.; Lewis, William; Moxey, Graeme J.; Kays, Deborah L.","1,8-Bis(silylamido)naphthalene complexes of magnesium and zinc synthesised through alkane elimination reactions.","Dalton transactions (Cambridge, England : 2003)","2017","46","12","4101","4110","10.1039/c7dt00471k","","","0.71073","MoKα","","0.0781","0.0505","","","0.1088","0.1267","","","","","","1.123","","","","has coordinates","195128","2020-10-21","18:00:00",""
"7042264","20.2536","0.0007","10.19","0.0003","21.7038","0.0007","90","","93.943","0.003","90","","4468.7","0.2","90","2","90","2","","","","","","","","7","C 1 2/c 1","-C 2yc","15","","","","- C44 H52 I2 Mg2 N2 O2 Si2 -","- C44 H52 I2 Mg2 N2 O2 Si2 -","- C176 H208 I8 Mg8 N8 O8 Si8 -","4","0.5","","Bradley, Mark A.; Birchall, Chris; Blake, Alexander J.; Lewis, William; Moxey, Graeme J.; Kays, Deborah L.","1,8-Bis(silylamido)naphthalene complexes of magnesium and zinc synthesised through alkane elimination reactions.","Dalton transactions (Cambridge, England : 2003)","2017","46","12","4101","4110","10.1039/c7dt00471k","","x-ray","1.54184","CuKα","","0.0508","0.0502","","","0.1465","0.1473","","","","","","1.065","","","","has coordinates","195128","2020-10-21","18:00:00",""
"7042265","10.827","0.002","13.846","0.003","14.987","0.003","69.427","0.003","75.353","0.004","85.388","0.004","2035","0.7","90","2","90","2","","","","","","","","7","P -1","-P 1","2","","","","- C84 H94 I2 Mg2 N4 O3 Si4 -","- C84 H94 I2 Mg2 N4 O3 Si4 -","- C84 H94 I2 Mg2 N4 O3 Si4 -","1","0.5","","Bradley, Mark A.; Birchall, Chris; Blake, Alexander J.; Lewis, William; Moxey, Graeme J.; Kays, Deborah L.","1,8-Bis(silylamido)naphthalene complexes of magnesium and zinc synthesised through alkane elimination reactions.","Dalton transactions (Cambridge, England : 2003)","2017","46","12","4101","4110","10.1039/c7dt00471k","","","0.71073","MoKα","","0.1283","0.0838","","","0.1228","0.1385","","","","","","1.201","","","","has coordinates,has disorder","195128","2020-10-21","18:00:00",""
"7042266","9.8884","0.0003","10.6089","0.0004","12.3277","0.0005","85.527","0.002","76.827","0.002","68.765","0.002","1173.7","0.08","173","2","173","2","","","","","","","synthesis as described","7","P -1","-P 1","2","","","","- C20 H30 Bi Cl N2 O Si2 -","- C20 H30 Bi Cl N2 O Si2 -","- C40 H60 Bi2 Cl2 N4 O2 Si4 -","2","1","","Schwamm, R. J.; Coles, M. P.; Fitchett, C. M.","Neutral and cationic bismuth compounds supported by bis(amidodimethyl)disiloxane ligands.","Dalton transactions (Cambridge, England : 2003)","2017","46","12","4066","4074","10.1039/c7dt00230k","","x-ray","0.7107","MoKα","","0.0399","0.0294","","","0.0622","0.0895","","","","","","1.466","","","","has coordinates","195131","2020-10-21","18:00:00",""
"7042267","11.7744","0.0003","15.3339","0.0004","19.9763","0.0005","102.811","0.002","90.9255","0.0019","107.564","0.002","3339.52","0.16","120.01","0.1","120.01","0.1","","","","","","","","6","P -1","-P 1","2","","","","- C60 H90 Bi2 N6 O3 Si6 -","- C60 H90 Bi2 N6 O3 Si6 -","- C120 H180 Bi4 N12 O6 Si12 -","2","1","","Schwamm, R. J.; Coles, M. P.; Fitchett, C. M.","Neutral and cationic bismuth compounds supported by bis(amidodimethyl)disiloxane ligands.","Dalton transactions (Cambridge, England : 2003)","2017","46","12","4066","4074","10.1039/c7dt00230k","","x-ray","1.54184","CuKα","","0.0313","0.0305","","","0.0803","0.0812","","","","","","1.103","","","","has coordinates","195131","2020-10-21","18:00:00",""
"7042268","10.53512","0.00018","10.8349","0.00018","18.5054","0.0003","87.103","0.0013","88.7719","0.0013","75.1549","0.0015","2039.14","0.06","120.01","0.1","120.01","0.1","","","","","","","","8","P -1","-P 1","2","","","","- C35 H54 Al Bi Cl4 N2 O Si2 -","- C35 H54 Al Bi Cl4 N2 O Si2 -","- C70 H108 Al2 Bi2 Cl8 N4 O2 Si4 -","2","1","","Schwamm, R. J.; Coles, M. P.; Fitchett, C. M.","Neutral and cationic bismuth compounds supported by bis(amidodimethyl)disiloxane ligands.","Dalton transactions (Cambridge, England : 2003)","2017","46","12","4066","4074","10.1039/c7dt00230k","","","0.7107","MoKα","","0.0163","0.0153","","","0.0384","0.0387","","","","","","1.134","","","","has coordinates","195131","2020-10-21","18:00:00",""
"7042269","10.05327","0.00018","10.2526","0.0003","39.4446","0.001","90","","92.945","0.0019","90","","4060.27","0.17","281.98","0.1","281.98","0.1","","","","","","","","8","P 1 21/c 1","-P 2ybc","14","","","","- C28 H46 Bi Cl7 Ga2 N2 O Si2 -","- C28 H46 Bi Cl7 Ga2 N2 O Si2 -","- C112 H184 Bi4 Cl28 Ga8 N8 O4 Si8 -","4","1","","Schwamm, R. J.; Coles, M. P.; Fitchett, C. M.","Neutral and cationic bismuth compounds supported by bis(amidodimethyl)disiloxane ligands.","Dalton transactions (Cambridge, England : 2003)","2017","46","12","4066","4074","10.1039/c7dt00230k","","","0.71073","MoKα","","0.0659","0.0602","","","0.1048","0.1064","","","","","","1.367","","","","has coordinates","195131","2020-10-21","18:00:00",""
"7042270","8.856","0.002","5.6314","0.0014","6.841","0.0016","90","","90","","90","","341.17","0.14","150","2","150","2","","","","","","","","4","P n m a","-P 2ac 2n","62","","","","- B F4 N O -","- B F4 N O -","- B4 F16 N4 O4 -","4","0.5","","Morozov, I. V.; Deeva, E. B.; Glazunova, T. Yu; Troyanov, S. I.; Guseinov, F. I.; Kustov, L. M.","Interaction of copper with dinitrogen tetroxide in 1-butyl-3-methylimidazolium-based ionic liquids.","Dalton transactions (Cambridge, England : 2003)","2017","46","13","4430","4434","10.1039/c6dt04526j","","","0.71073","MoKα","","0.024","0.0213","","","0.0529","0.0543","","","","","","0.939","","","","has coordinates","195087","2020-10-21","18:00:00",""
"7042271","16.466","0.003","15.871","0.003","17.043","0.003","90","","117.32","0.03","90","","3957.1","1.6","100","2","100","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C14 H15 Cu F9 N2 O6 -","- C13.9995 H15 Cu F9 N2 O6 -","- C111.996 H120 Cu8 F72 N16 O48 -","8","2","","Morozov, I. V.; Deeva, E. B.; Glazunova, T. Yu; Troyanov, S. I.; Guseinov, F. I.; Kustov, L. M.","Interaction of copper with dinitrogen tetroxide in 1-butyl-3-methylimidazolium-based ionic liquids.","Dalton transactions (Cambridge, England : 2003)","2017","46","13","4430","4434","10.1039/c6dt04526j","","","0.71073","MoKα","","0.0755","0.0419","","","0.0743","0.0769","","","","","","1.032","","","","has coordinates,has disorder","195087","2020-10-21","18:00:00",""
"7042272","11.2387","0.0008","11.2387","0.0008","26.491","0.004","90","","90","","120","","2897.8","0.5","293","2","293","2","","","","","","","","5","P 65","P 65","170","","","","- C18 H13 Ho N4 O9 -","- C18 H13 Ho N4 O9 -","- C108 H78 Ho6 N24 O54 -","6","1","","Chen, Wei; Fan, Ruiqing; Zhang, Huijie; Dong, Yuwei; Wang, Ping; Yang, Yulin","Tunable white-light emission PMMA-supported film materials containing lanthanide coordination polymers: preparation, characterization, and properties.","Dalton transactions (Cambridge, England : 2003)","2017","46","13","4265","4277","10.1039/c7dt00218a","","","0.71073","MoKα","","0.0381","0.037","","","0.1063","0.1071","","","","","","1.04","","","","has coordinates","195088","2020-10-21","18:00:00",""
"7042273","8.8972","0.0009","17.0855","0.0016","15.2347","0.0014","90","","102.039","0.004","90","","2264.9","0.4","173","2","173","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C21 H15 Eu2 N3 O15 -","- C21 H15 Eu2 N3 O15 -","- C84 H60 Eu8 N12 O60 -","4","1","","Chen, Wei; Fan, Ruiqing; Zhang, Huijie; Dong, Yuwei; Wang, Ping; Yang, Yulin","Tunable white-light emission PMMA-supported film materials containing lanthanide coordination polymers: preparation, characterization, and properties.","Dalton transactions (Cambridge, England : 2003)","2017","46","13","4265","4277","10.1039/c7dt00218a","","","0.71073","MoKα","","0.1523","0.0746","","","0.1305","0.1497","","","","","","1.091","","","","has coordinates","195088","2020-10-21","18:00:00",""
"7042274","11.3026","0.0009","11.3026","0.0009","26.661","0.005","90","","90","","120","","2949.6","0.6","293","2","293","2","","","","","","","","5","P 61","P 61","169","","","","- C18 H13 N4 O9 Sm -","- C18 H13 N4 O9 Sm -","- C108 H78 N24 O54 Sm6 -","6","1","","Chen, Wei; Fan, Ruiqing; Zhang, Huijie; Dong, Yuwei; Wang, Ping; Yang, Yulin","Tunable white-light emission PMMA-supported film materials containing lanthanide coordination polymers: preparation, characterization, and properties.","Dalton transactions (Cambridge, England : 2003)","2017","46","13","4265","4277","10.1039/c7dt00218a","","","0.71073","MoKα","","0.1007","0.0746","","","0.1934","0.2062","","","","","","1.242","","","","has coordinates","195088","2020-10-21","18:00:00",""
"7042275","11.2771","0.0003","11.2771","0.0003","26.639","0.0014","90","","90","","120","","2933.89","0.19","293","2","293","2","","","","","","","","5","P 65","P 65","170","","","","- C18 H13 N4 O9 Tb -","- C18 H13 N4 O9 Tb -","- C108 H78 N24 O54 Tb6 -","6","1","","Chen, Wei; Fan, Ruiqing; Zhang, Huijie; Dong, Yuwei; Wang, Ping; Yang, Yulin","Tunable white-light emission PMMA-supported film materials containing lanthanide coordination polymers: preparation, characterization, and properties.","Dalton transactions (Cambridge, England : 2003)","2017","46","13","4265","4277","10.1039/c7dt00218a","","","0.71073","MoKα","","0.0205","0.0183","","","0.0521","0.0528","","","","","","1.008","","","","has coordinates","195088","2020-10-21","18:00:00",""
"7042276","11.2299","0.0002","11.2299","0.0002","26.4974","0.001","90","","90","","120","","2893.91","0.13","293","2","293","2","","","","","","","","5","P 61","P 61","169","","","","- C18 H13 Er N4 O9 -","- C18 H13 Er N4 O9 -","- C108 H78 Er6 N24 O54 -","6","1","","Chen, Wei; Fan, Ruiqing; Zhang, Huijie; Dong, Yuwei; Wang, Ping; Yang, Yulin","Tunable white-light emission PMMA-supported film materials containing lanthanide coordination polymers: preparation, characterization, and properties.","Dalton transactions (Cambridge, England : 2003)","2017","46","13","4265","4277","10.1039/c7dt00218a","","","0.71073","MoKα","","0.0484","0.0437","","","0.1329","0.1349","","","","","","1.104","","","","has coordinates","195088","2020-10-21","18:00:00",""
"7042277","11.309","0.004","11.309","0.004","26.697","0.012","90","","90","","120","","2957","2","293","2","293","2","","","","","","","","5","P 65","P 65","170","","","","- C18 H13 Eu N4 O9 -","- C18 H13 Eu N4 O9 -","- C108 H78 Eu6 N24 O54 -","6","1","","Chen, Wei; Fan, Ruiqing; Zhang, Huijie; Dong, Yuwei; Wang, Ping; Yang, Yulin","Tunable white-light emission PMMA-supported film materials containing lanthanide coordination polymers: preparation, characterization, and properties.","Dalton transactions (Cambridge, England : 2003)","2017","46","13","4265","4277","10.1039/c7dt00218a","","","0.71073","MoKα","","0.0392","0.0321","","","0.0907","0.1072","","","","","","1.054","","","","has coordinates","195088","2020-10-21","18:00:00",""
"7042278","11.3285","0.0003","11.3285","0.0003","26.7591","0.0013","90","","90","","120","","2974.04","0.18","293","2","293","2","","","","","","","","5","P 65","P 65","170","","","","- C18 H13 N4 Nd O9 -","- C18 H13 N4 Nd O9 -","- C108 H78 N24 Nd6 O54 -","6","1","","Chen, Wei; Fan, Ruiqing; Zhang, Huijie; Dong, Yuwei; Wang, Ping; Yang, Yulin","Tunable white-light emission PMMA-supported film materials containing lanthanide coordination polymers: preparation, characterization, and properties.","Dalton transactions (Cambridge, England : 2003)","2017","46","13","4265","4277","10.1039/c7dt00218a","","","0.71073","MoKα","","0.0446","0.0435","","","0.1213","0.1219","","","","","","1.07","","","","has coordinates","195088","2020-10-21","18:00:00",""
"7042279","11.2815","0.0002","11.2815","0.0002","26.6752","0.001","90","","90","","120","","2940.17","0.13","293","2","293","2","","","","","","","","5","P 61","P 61","169","","","","- C18 H13 Gd N4 O9 -","- C18 H13 Gd N4 O9 -","- C108 H78 Gd6 N24 O54 -","6","1","","Chen, Wei; Fan, Ruiqing; Zhang, Huijie; Dong, Yuwei; Wang, Ping; Yang, Yulin","Tunable white-light emission PMMA-supported film materials containing lanthanide coordination polymers: preparation, characterization, and properties.","Dalton transactions (Cambridge, England : 2003)","2017","46","13","4265","4277","10.1039/c7dt00218a","","","0.71073","MoKα","","0.0477","0.0474","","","0.1357","0.136","","","","","","1.069","","","","has coordinates","195088","2020-10-21","18:00:00",""
"7042280","13.5205","0.0008","11.0919","0.0006","16.2446","0.0009","90","","96.219","0.005","90","","2421.8","0.2","100","2","100","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C16 H20 Cu2 N6 O11 S4 -","- C16 H20 Cu2 N6 O11 S4 -","- C64 H80 Cu8 N24 O44 S16 -","4","1","","Sîrbu, Angela; Palamarciuc, Oleg; Babak, Maria V.; Lim, Jia Min; Ohui, Kateryna; Enyedy, Eva A.; Shova, Sergiu; Darvasiová, Denisa; Rapta, Peter; Ang, Wee Han; Arion, Vladimir B.","Copper(ii) thiosemicarbazone complexes induce marked ROS accumulation and promote nrf2-mediated antioxidant response in highly resistant breast cancer cells.","Dalton transactions (Cambridge, England : 2003)","2017","46","12","3833","3847","10.1039/c7dt00283a","","","1.54184","CuKα","","0.0389","0.0334","","","0.0865","0.0894","","","","","","1.04","","","","has coordinates","195134","2020-10-21","18:00:00",""
"7042281","6.375","0.0003","12.3166","0.0009","13.7976","0.0012","75.444","0.007","77.55","0.006","76.945","0.005","1006.89","0.13","293","2","293","2","","","","","","","","6","P -1","-P 1","2","","","","- C12 H19 Cu N3 O6 S4 -","- C12 H19 Cu N3 O6 S4 -","- C24 H38 Cu2 N6 O12 S8 -","2","1","","Sîrbu, Angela; Palamarciuc, Oleg; Babak, Maria V.; Lim, Jia Min; Ohui, Kateryna; Enyedy, Eva A.; Shova, Sergiu; Darvasiová, Denisa; Rapta, Peter; Ang, Wee Han; Arion, Vladimir B.","Copper(ii) thiosemicarbazone complexes induce marked ROS accumulation and promote nrf2-mediated antioxidant response in highly resistant breast cancer cells.","Dalton transactions (Cambridge, England : 2003)","2017","46","12","3833","3847","10.1039/c7dt00283a","","x-ray","0.71073","MoKα","","0.0703","0.0601","","","0.1312","0.1376","","","","","","1.051","","","","has coordinates,has disorder","195134","2020-10-21","18:00:00",""
"7042282","30.059","0.005","19.808","0.005","15.024","0.005","90","","117.992","0.005","90","","7899","4","100","","100","","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C33 H58 Mg N4 O Si2 -","- C33 H58 Mg N4 O Si2 -","- C264 H464 Mg8 N32 O8 Si16 -","8","1","","Barman, Milan Kr; Baishya, Ashim; Nembenna, Sharanappa","Magnesium amide catalyzed selective hydroboration of esters.","Dalton transactions (Cambridge, England : 2003)","2017","46","13","4152","4156","10.1039/c7dt00556c","","","0.71069","MoKα","","0.0643","0.044","","","0.1234","0.1316","","","","","","1.063","","","","has coordinates","195090","2020-10-21","18:00:00",""
"7042283","10.752","0.005","36.875","0.005","11.551","0.005","90","0.005","107.486","0.005","90","0.005","4368","3","100","","100","","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C41 H74 Mg N4 O Si2 -","- C41 H74 Mg N4 O Si2 -","- C164 H296 Mg4 N16 O4 Si8 -","4","1","","Barman, Milan Kr; Baishya, Ashim; Nembenna, Sharanappa","Magnesium amide catalyzed selective hydroboration of esters.","Dalton transactions (Cambridge, England : 2003)","2017","46","13","4152","4156","10.1039/c7dt00556c","","","0.71069","MoKα","","0.0773","0.0602","","","0.1286","0.1355","","","","","","1.097","","","","has coordinates","195090","2020-10-21","18:00:00",""
"7042284","12.288","0.002","12.787","0.002","13.526","0.003","91.355","0.004","101.072","0.004","91.55","0.004","2084.1","0.7","150","2","150","2","","","","","","","","5","P -1","-P 1","2","","","","- C48 H42 Fe2 N4 O12 -","- C48 H42 Fe2 N4 O12 -","- C96 H84 Fe4 N8 O24 -","2","1","","Yu, Fei; Cao, Zi-Heng; Ge, Jing-Yuan; Sun, Yi-Chen; Ouyang, Zhong-Wen; Zuo, Jing-Lin; Wang, Zhenxing; Kurmoo, Mohamedally","Magnetostructural relationship for μ2-phenoxido bridged ferric dimers.","Dalton transactions (Cambridge, England : 2003)","2017","46","13","4317","4324","10.1039/c7dt00110j","","","0.71073","MoKα","","0.0793","0.0525","","","0.1235","0.1413","","","","","","1.02","","","","has coordinates,has disorder","195091","2020-10-21","18:00:00",""
"7042285","11.1136","0.0013","11.1242","0.0013","11.8534","0.0014","101.631","0.002","106.228","0.002","90.58","0.002","1374.7","0.3","123","2","123","2","","","","","","","","5","P -1","-P 1","2","","","","- C58 H60 Fe2 N6 O12 -","- C58 H60 Fe2 N6 O12 -","- C58 H60 Fe2 N6 O12 -","1","0.5","","Yu, Fei; Cao, Zi-Heng; Ge, Jing-Yuan; Sun, Yi-Chen; Ouyang, Zhong-Wen; Zuo, Jing-Lin; Wang, Zhenxing; Kurmoo, Mohamedally","Magnetostructural relationship for μ2-phenoxido bridged ferric dimers.","Dalton transactions (Cambridge, England : 2003)","2017","46","13","4317","4324","10.1039/c7dt00110j","","","0.71073","MoKα","","0.0456","0.0413","","","0.1166","0.1202","","","","","","1.05","","","","has coordinates","195091","2020-10-21","18:00:00",""
"7042286","9.7626","0.0007","10.6307","0.0008","11.2997","0.0009","70.342","0.002","65.258","0.002","88.55","0.002","993.8","0.13","153","2","153","2","","","","","","","","5","P -1","-P 1","2","","","","- C46 H36 Fe2 N6 O6 -","- C46 H36 Fe2 N6 O6 -","- C46 H36 Fe2 N6 O6 -","1","0.5","","Yu, Fei; Cao, Zi-Heng; Ge, Jing-Yuan; Sun, Yi-Chen; Ouyang, Zhong-Wen; Zuo, Jing-Lin; Wang, Zhenxing; Kurmoo, Mohamedally","Magnetostructural relationship for μ2-phenoxido bridged ferric dimers.","Dalton transactions (Cambridge, England : 2003)","2017","46","13","4317","4324","10.1039/c7dt00110j","","","0.71073","MoKα","","0.0579","0.043","","","0.1006","0.1072","","","","","","1.032","","","","has coordinates","195091","2020-10-21","18:00:00",""
"7042287","11.82","0.002","12.875","0.002","15.948","0.003","98.179","0.003","94.615","0.003","91.774","0.003","2392.3","0.7","100","2","100","2","","","","","","","","8","P -1","-P 1","2","","","","- C41 H44 Br4 Cl2 Dy N5 O12 Zn2 -","- C41 H44 Br4 Cl2 Dy N5 O12 Zn2 -","- C82 H88 Br8 Cl4 Dy2 N10 O24 Zn4 -","2","1","","Oyarzabal, Itziar; Rodríguez-Diéguez, Antonio; Barquín, Montserrat; Seco, José M; Colacio, Enrique","The effect of the disposition of coordinated oxygen atoms on the magnitude of the energy barrier for magnetization reversal in a family of linear trinuclear Zn-Dy-Zn complexes with a square-antiprism DyO8 coordination sphere.","Dalton transactions (Cambridge, England : 2003)","2017","46","13","4278","4286","10.1039/c7dt00138j","","","0.71069","MoKα","","0.0444","0.0352","","","0.0785","0.0832","","","","","","1.009","","","","has coordinates","195092","2020-10-21","18:00:00",""
"7042288","13.6069","0.0007","13.8358","0.0009","15.9283","0.0007","99.998","0.005","108.143","0.005","106.028","0.005","2625.9","0.3","100","2","100","2","","","","","","","","7","P -1","-P 1","2","","","","- C41 H46 Br4 Dy N11 O13 Zn2 -","- C40 H40 Br4 Dy N10 O8 Zn2 -","- C80 H80 Br8 Dy2 N20 O16 Zn4 -","2","1","","Oyarzabal, Itziar; Rodríguez-Diéguez, Antonio; Barquín, Montserrat; Seco, José M; Colacio, Enrique","The effect of the disposition of coordinated oxygen atoms on the magnitude of the energy barrier for magnetization reversal in a family of linear trinuclear Zn-Dy-Zn complexes with a square-antiprism DyO8 coordination sphere.","Dalton transactions (Cambridge, England : 2003)","2017","46","13","4278","4286","10.1039/c7dt00138j","","","0.71069","MoKα","","0.0959","0.0587","","","0.1114","0.1254","","","","","","0.951","","","","has coordinates","195092","2020-10-21","18:00:00",""
"7042289","14.7655","0.0003","27.0577","0.0004","15.174","0.0003","90","","115.552","0.002","90","","5469.4","0.2","100","2","100","2","","","","","","","","8","P 1 21/c 1","-P 2ybc","14","","","","- C43 H52 Br4 Dy I2 N5 O14 Zn2 -","- C43 H47 Br4 Dy I2 N5 O14 Zn2 -","- C172 H188 Br16 Dy4 I8 N20 O56 Zn8 -","4","1","","Oyarzabal, Itziar; Rodríguez-Diéguez, Antonio; Barquín, Montserrat; Seco, José M; Colacio, Enrique","The effect of the disposition of coordinated oxygen atoms on the magnitude of the energy barrier for magnetization reversal in a family of linear trinuclear Zn-Dy-Zn complexes with a square-antiprism DyO8 coordination sphere.","Dalton transactions (Cambridge, England : 2003)","2017","46","13","4278","4286","10.1039/c7dt00138j","","","0.71069","MoKα","","0.0558","0.0441","","","0.1022","0.1083","","","","","","1.051","","","","has coordinates","195092","2020-10-21","18:00:00",""
"7042290","14.6274","0.0003","27.3664","0.0005","14.7306","0.0004","90","","115.17","0.003","90","","5336.8","0.2","100","2","100","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C43 H52 Br6 Dy N5 O14 Zn2 -","- C43 H52 Br6 Dy N5 O14 Zn2 -","- C172 H208 Br24 Dy4 N20 O56 Zn8 -","4","1","","Oyarzabal, Itziar; Rodríguez-Diéguez, Antonio; Barquín, Montserrat; Seco, José M; Colacio, Enrique","The effect of the disposition of coordinated oxygen atoms on the magnitude of the energy barrier for magnetization reversal in a family of linear trinuclear Zn-Dy-Zn complexes with a square-antiprism DyO8 coordination sphere.","Dalton transactions (Cambridge, England : 2003)","2017","46","13","4278","4286","10.1039/c7dt00138j","","","0.71069","MoKα","","0.0811","0.0533","","","0.1085","0.1235","","","","","","1.026","","","","has coordinates","195092","2020-10-21","18:00:00",""
"7042291","14.9193","0.0003","25.4989","0.0003","15.6761","0.0003","90","","116.881","0.002","90","","5319.21","0.19","100","2","100","2","","","","","","","","8","P 1 21/c 1","-P 2ybc","14","","","","- C41 H44 Br4 Dy I3 N4 O12 Zn2 -","- C41 H43 Br4 Dy I3 N4 O12 Zn2 -","- C164 H172 Br16 Dy4 I12 N16 O48 Zn8 -","4","1","","Oyarzabal, Itziar; Rodríguez-Diéguez, Antonio; Barquín, Montserrat; Seco, José M; Colacio, Enrique","The effect of the disposition of coordinated oxygen atoms on the magnitude of the energy barrier for magnetization reversal in a family of linear trinuclear Zn-Dy-Zn complexes with a square-antiprism DyO8 coordination sphere.","Dalton transactions (Cambridge, England : 2003)","2017","46","13","4278","4286","10.1039/c7dt00138j","","","0.71073","MoKα","","0.0545","0.046","","","0.1177","0.1225","","","","","","1.053","","","","has coordinates","195092","2020-10-21","18:00:00",""
"7042292","14.6756","0.0011","13.0146","0.0009","30.607","0.002","90","","93.627","0.002","90","","5834.1","0.7","100","2","100","2","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C42 H52 Br9 Dy N4 O12 Zn3 -","- C42 H47 Br9 Dy N4 O12 Zn3 -","- C168 H188 Br36 Dy4 N16 O48 Zn12 -","4","1","","Oyarzabal, Itziar; Rodríguez-Diéguez, Antonio; Barquín, Montserrat; Seco, José M; Colacio, Enrique","The effect of the disposition of coordinated oxygen atoms on the magnitude of the energy barrier for magnetization reversal in a family of linear trinuclear Zn-Dy-Zn complexes with a square-antiprism DyO8 coordination sphere.","Dalton transactions (Cambridge, England : 2003)","2017","46","13","4278","4286","10.1039/c7dt00138j","","","0.71073","MoKα","","0.0698","0.0551","","","0.1254","0.1357","","","","","","1.065","","","","has coordinates","195092","2020-10-21","18:00:00",""
"7042293","8.716","0.002","23.262","0.006","6.4438","0.0014","90","","90","","90","","1306.5","0.5","150","2","150","2","","","","","","","","5","P 21 21 2","P 2 2ab","18","","","","- C31 H27 F4 N P2 -","- C31 H27 F4 N P2 -","- C62 H54 F8 N2 P4 -","2","0.5","","Szkop, Kevin M.; Stephan, Douglas W.","Metal-free pincer ligand chemistry polycationic phosphonium Lewis acids.","Dalton transactions (Cambridge, England : 2003)","2017","46","12","3921","3928","10.1039/c7dt00441a","","","0.71073","MoKα","","0.0916","0.0535","","","0.0849","0.096","","","","","","1.012","","","","has coordinates","195136","2020-10-21","18:00:00",""
"7042294","16.5221","0.001","10.1677","0.0006","21.9637","0.0012","90","","100.283","0.002","90","","3630.5","0.4","150","2","150","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C35 H33 F6 N O6 P2 S2 -","- C35 H33 F6 N O6 P2 S2 -","- C140 H132 F24 N4 O24 P8 S8 -","4","1","","Szkop, Kevin M.; Stephan, Douglas W.","Metal-free pincer ligand chemistry polycationic phosphonium Lewis acids.","Dalton transactions (Cambridge, England : 2003)","2017","46","12","3921","3928","10.1039/c7dt00441a","","","0.71073","MoKα","","0.0628","0.0453","","","0.1103","0.1206","","","","","","1.027","","","","has coordinates","195136","2020-10-21","18:00:00",""
"7042295","23.497","0.002","16.0412","0.0015","18.2355","0.0014","90","","91.85","0.003","90","","6869.7","1","150","2","150","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C66 H54 F16 N2 O12 P4 S4 -","- C66 H54 F16 N2 O12 P4 S4 -","- C264 H216 F64 N8 O48 P16 S16 -","4","1","","Szkop, Kevin M.; Stephan, Douglas W.","Metal-free pincer ligand chemistry polycationic phosphonium Lewis acids.","Dalton transactions (Cambridge, England : 2003)","2017","46","12","3921","3928","10.1039/c7dt00441a","","","0.71073","MoKα","","0.0733","0.0472","","","0.1098","0.1211","","","","","","1.033","","","","has coordinates,has disorder","195136","2020-10-21","18:00:00",""
"7042296","16.7886","0.0016","16.6604","0.0015","27.55","0.002","90","","90","","90","","7705.9","1.2","150","2","150","2","","","","","","","","7","P b c a","-P 2ac 2ab","61","","","","- C33 H30 F7 N O3 P2 S -","- C33 H30 F7 N O3 P2 S -","- C264 H240 F56 N8 O24 P16 S8 -","8","1","","Szkop, Kevin M.; Stephan, Douglas W.","Metal-free pincer ligand chemistry polycationic phosphonium Lewis acids.","Dalton transactions (Cambridge, England : 2003)","2017","46","12","3921","3928","10.1039/c7dt00441a","","","0.71073","MoKα","","0.1026","0.063","","","0.1467","0.1665","","","","","","1.035","","","","has coordinates","195136","2020-10-21","18:00:00",""
"7042297","28.205","0.003","15.0893","0.0011","19.149","0.002","90","","130.351","0.007","90","","6210.8","1.2","150","2","150","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C31 H27 B2 F10 N P2 -","- C31 H27 B2 F10 N P2 -","- C248 H216 B16 F80 N8 P16 -","8","1","","Szkop, Kevin M.; Stephan, Douglas W.","Metal-free pincer ligand chemistry polycationic phosphonium Lewis acids.","Dalton transactions (Cambridge, England : 2003)","2017","46","12","3921","3928","10.1039/c7dt00441a","","","0.71073","MoKα","","0.0693","0.0414","","","0.0931","0.1048","","","","","","1.02","","","","has coordinates","195136","2020-10-21","18:00:00",""
"7042298","7.844","0.002","10.872","0.002","34.637","0.008","90","","90","","90","","2953.8","1.2","296","2","296.15","","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C31 H30 Cl3 N3 Ni O3 -","- C31 H30 Cl3 N3 Ni O3 -","- C124 H120 Cl12 N12 Ni4 O12 -","4","1","","Nian, Yong; Wang, Jiang; Moriwaki, Hiroki; Soloshonok, Vadim A.; Liu, Hong","Analysis of crystallographic structures of Ni(ii) complexes of α-amino acid Schiff bases: elucidation of the substituent effect on stereochemical preferences.","Dalton transactions (Cambridge, England : 2003)","2017","46","13","4191","4198","10.1039/c7dt00014f","","","0.71073","MoKα","","0.0739","0.0473","","","0.1008","0.1109","","","","","","1.023","","","","has coordinates","195069","2020-10-21","18:00:00",""
"7042299","10.143","0.006","9.381","0.005","17.036","0.009","90","","96.513","0.008","90","","1610.5","1.5","293","2","293","2","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C37 H33 Cl3 N4 Ni O4 -","- C37 H33 Cl3 N4 Ni O4 -","- C74 H66 Cl6 N8 Ni2 O8 -","2","1","","Nian, Yong; Wang, Jiang; Moriwaki, Hiroki; Soloshonok, Vadim A.; Liu, Hong","Analysis of crystallographic structures of Ni(ii) complexes of α-amino acid Schiff bases: elucidation of the substituent effect on stereochemical preferences.","Dalton transactions (Cambridge, England : 2003)","2017","46","13","4191","4198","10.1039/c7dt00014f","","","0.71073","MoKα","","0.1096","0.082","","","0.177","0.1915","","","","","","1.053","","","","has coordinates","195069","2020-10-21","18:00:00",""
"7042300","11.0422","0.0014","7.6034","0.001","15.9516","0.0019","90","","100.367","0.003","90","","1317.4","0.3","293","2","293","2","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C27 H22 Cl3 N3 Ni O3 -","- C27 H22 Cl3 N3 Ni O3 -","- C54 H44 Cl6 N6 Ni2 O6 -","2","1","","Nian, Yong; Wang, Jiang; Moriwaki, Hiroki; Soloshonok, Vadim A.; Liu, Hong","Analysis of crystallographic structures of Ni(ii) complexes of α-amino acid Schiff bases: elucidation of the substituent effect on stereochemical preferences.","Dalton transactions (Cambridge, England : 2003)","2017","46","13","4191","4198","10.1039/c7dt00014f","","","0.71073","MoKα","","0.0453","0.0401","","","0.0866","0.089","","","","","","0.994","","","","has coordinates","195069","2020-10-21","18:00:00",""
"7042301","9.7857","0.0008","9.8844","0.0008","25.741","0.002","90","","90","","90","","2489.8","0.3","293","2","293","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C28 H27 N3 Ni O3 -","- C28 H27 N3 Ni O3 -","- C112 H108 N12 Ni4 O12 -","4","1","","Nian, Yong; Wang, Jiang; Moriwaki, Hiroki; Soloshonok, Vadim A.; Liu, Hong","Analysis of crystallographic structures of Ni(ii) complexes of α-amino acid Schiff bases: elucidation of the substituent effect on stereochemical preferences.","Dalton transactions (Cambridge, England : 2003)","2017","46","13","4191","4198","10.1039/c7dt00014f","","","0.71073","MoKα","","0.0589","0.0505","","","0.1286","0.1348","","","","","","1.046","","","","has coordinates","195069","2020-10-21","18:00:00",""
"7042302","16.6113","0.0014","13.6678","0.0015","15.1514","0.0014","90","","121.188","0.005","90","","2942.8","0.5","296","2","296","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- B14 Ba7 F5 Mg2 Na O28 -","- B14 Ba7 F5 Mg2 Na O28 -","- B56 Ba28 F20 Mg8 Na4 O112 -","4","0.5","","Mutailipu, Miriding; Zhang, Min; Chen, Yanna; Lu, Xiaoquan; Pan, Shilie","The structural diversity of halogen-centered secondary building units: two new mixed-metal borate halides with deep-ultraviolet cut-off edges.","Dalton transactions (Cambridge, England : 2003)","2017","46","15","4923","4928","10.1039/c7dt00204a","","","0.71073","MoKα","","0.1004","0.0688","","","0.1434","0.1535","","","","","","1.114","","","","has coordinates","196462","2020-10-21","18:00:00",""
"7042303","6.7401","0.0009","11.4787","0.0015","11.5013","0.0015","90","","91.862","0.009","90","","889.4","0.2","296","2","296","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- B10 Ba4 Br F2 Na O18 -","- B10 Ba4 Br F2 Na O18 -","- B20 Ba8 Br2 F4 Na2 O36 -","2","0.5","","Mutailipu, Miriding; Zhang, Min; Chen, Yanna; Lu, Xiaoquan; Pan, Shilie","The structural diversity of halogen-centered secondary building units: two new mixed-metal borate halides with deep-ultraviolet cut-off edges.","Dalton transactions (Cambridge, England : 2003)","2017","46","15","4923","4928","10.1039/c7dt00204a","","","0.71073","MoKα","","0.0264","0.0221","","","0.0464","0.0478","","","","","","1.062","","","","has coordinates","196462","2020-10-21","18:00:00",""
"7042304","12.67","0.019","9.658","0.014","16.44","0.02","90","","112.87","0.06","90","","1854","5","100","2","100","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C12 H16 N2 Ni2 O4 S4 -","- C12 H16 N2 Ni2 O4 S4 -","- C48 H64 N8 Ni8 O16 S16 -","4","0.5","","Nimthong-Roldán, Arunpatcha; Guillet, Jesse L.; McNeely, James; Ozumerzifon, Tarik J.; Shores, Matthew P.; Golen, James A.; Rheingold, Arnold L.; Doerrer, Linda H.","Quasi-1D chains of dinickel lantern complexes and their magnetic properties.","Dalton transactions (Cambridge, England : 2003)","2017","46","17","5546","5557","10.1039/c6dt04535a","","","0.71073","MoKα","","0.0706","0.0575","","","0.1383","0.1464","","","","","","1.057","","","","has coordinates,has disorder","196403","2020-10-21","18:00:00",""
"7042305","27.62","0.006","9.63","0.002","18.507","0.004","90","0.03","127.04","0.03","90","0.03","3929","2","100","2","100","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C19 H18 N Ni O3 S2 -","- C19 H18 N Ni O3 S2 -","- C152 H144 N8 Ni8 O24 S16 -","8","1","","Nimthong-Roldán, Arunpatcha; Guillet, Jesse L.; McNeely, James; Ozumerzifon, Tarik J.; Shores, Matthew P.; Golen, James A.; Rheingold, Arnold L.; Doerrer, Linda H.","Quasi-1D chains of dinickel lantern complexes and their magnetic properties.","Dalton transactions (Cambridge, England : 2003)","2017","46","17","5546","5557","10.1039/c6dt04535a","","","0.71073","MoKα","","0.0893","0.0691","","","0.1844","0.2071","","","","","","1.021","","","","has coordinates,has disorder","196403","2020-10-21","18:00:00",""
"7042306","10.9952","0.0005","11.5241","0.0006","14.5257","0.0006","82.221","0.002","71.516","0.001","88.952","0.002","1728.94","0.14","100","2","100","2","","","","","","","","7","P -1","-P 1","2","","","","- C70.58 H67.16 Cl1.16 N2 Ni4 O8 S8 -","- C70.582 H67.164 Cl1.164 N2 Ni4 O8 S8 -","- C70.582 H67.164 Cl1.164 N2 Ni4 O8 S8 -","1","0.5","","Nimthong-Roldán, Arunpatcha; Guillet, Jesse L.; McNeely, James; Ozumerzifon, Tarik J.; Shores, Matthew P.; Golen, James A.; Rheingold, Arnold L.; Doerrer, Linda H.","Quasi-1D chains of dinickel lantern complexes and their magnetic properties.","Dalton transactions (Cambridge, England : 2003)","2017","46","17","5546","5557","10.1039/c6dt04535a","","","0.71073","MoKα","","0.0535","0.0336","","","0.0662","0.0732","","","","","","1.021","","","","has coordinates,has disorder","196403","2020-10-21","18:00:00",""
"7042307","13.324","0.006","9.791","0.005","16.613","0.012","90","","110.61","0.03","90","","2029","2","100","2","100","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C14 H24 N2 Ni2 O4 S4 -","- C14 H24 N2 Ni2 O4 S4 -","- C56 H96 N8 Ni8 O16 S16 -","4","0.5","","Nimthong-Roldán, Arunpatcha; Guillet, Jesse L.; McNeely, James; Ozumerzifon, Tarik J.; Shores, Matthew P.; Golen, James A.; Rheingold, Arnold L.; Doerrer, Linda H.","Quasi-1D chains of dinickel lantern complexes and their magnetic properties.","Dalton transactions (Cambridge, England : 2003)","2017","46","17","5546","5557","10.1039/c6dt04535a","","","0.71073","MoKα","","0.0792","0.0697","","","0.1826","0.1902","","","","","","1.065","","","","has coordinates,has disorder","196403","2020-10-21","18:00:00",""
"7042308","8.9526","0.0002","10.2532","0.0003","14.7976","0.0004","94.4778","0.0014","106.877","0.0012","114.939","0.0012","1146.72","0.06","293","2","293","2","","","","","","","","9","P -1","-P 1","2","","","","- C23 H20 B Br F2 N2 O S Se -","- C23 H20 B Br F2 N2 O S Se -","- C46 H40 B2 Br2 F4 N4 O2 S2 Se2 -","2","1","","Kim, Youngsam; Jun, Taehong; Mulay, Sandip V.; Manjare, Sudesh T.; Kwak, Jinseong; Lee, Yunho; Churchill, David G.","Novel intramolecular π-π-interaction in a BODIPY system by oxidation of a single selenium center: geometrical stamping and spectroscopic and spectrometric distinctions.","Dalton transactions (Cambridge, England : 2003)","2017","46","12","4111","4117","10.1039/c7dt00555e","","","0.71073","MoKα","","0.0466","0.0363","","","0.0935","0.0989","","","","","","1.075","","","","has coordinates","195124","2020-10-21","18:00:00",""
"7042309","20.9517","0.0002","21.134","0.0002","22.1261","0.0001","90","","90","","90","","9797.29","0.14","200","","200","","","","","","","","Research School of Chemistry","9","P b c a","-P 2ac 2ab","61","","","","- C42 H51 B Cl6 N6 O2 P Rh W -","- C42 H51 B Cl6 N6 O2 P Rh W -","- C336 H408 B8 Cl48 N48 O16 P8 Rh8 W8 -","8","1","","Colebatch, Annie L.; Hill, Anthony F.","Coordination chemistry of phosphinocarbynes: phosphorus vs. carbyne site selectivity.","Dalton transactions (Cambridge, England : 2003)","2017","46","13","4355","4365","10.1039/c6dt04770j","","","0.71073","MoKα","","0.0549","0.0403","","0.1063","0.095","0.1063","","","","","","0.9458","","","","has coordinates","195081","2020-10-21","18:00:00",""
"7042310","10.3172","0.0001","13.5659","0.0002","25.2039","0.0003","90","","98.3693","0.0005","90","","3490.02","0.07","200","","200","","","","","","","","Research School of Chemistry","9","P 1 21/n 1","-P 2yn","14","","","","- C30 H32 Au B Cl N6 O2 P W -","- C30 H32 Au B Cl N6 O2 P W -","- C120 H128 Au4 B4 Cl4 N24 O8 P4 W4 -","4","1","","Colebatch, Annie L.; Hill, Anthony F.","Coordination chemistry of phosphinocarbynes: phosphorus vs. carbyne site selectivity.","Dalton transactions (Cambridge, England : 2003)","2017","46","13","4355","4365","10.1039/c6dt04770j","","","0.71073","MoKα","","0.0467","0.0302","","0.0668","0.0616","0.0668","","","","","","0.9827","","","","has coordinates","195081","2020-10-21","18:00:00",""
"7042311","16.5513","0.0002","12.989","0.0002","17.7921","0.0002","90","","113.503","0.0007","90","","3507.71","0.08","200","","200","","","","","","","","Research School of Chemistry","9","P 1 21/n 1","-P 2yn","14","","","","- C30 H32 Au2 B Cl2 N6 O2 P W -","- C30 H32 Au2 B Cl2 N6 O2 P W -","- C120 H128 Au8 B4 Cl8 N24 O8 P4 W4 -","4","1","","Colebatch, Annie L.; Hill, Anthony F.","Coordination chemistry of phosphinocarbynes: phosphorus vs. carbyne site selectivity.","Dalton transactions (Cambridge, England : 2003)","2017","46","13","4355","4365","10.1039/c6dt04770j","","","0.71073","MoKα","","0.0525","0.0344","","0.0804","0.0734","0.0804","","","","","","1.0116","","","","has coordinates","195081","2020-10-21","18:00:00",""
"7042312","16.6239","0.0003","12.8664","0.0003","17.4284","0.0003","90","","116.725","0.001","90","","3329.55","0.12","200","","200","","","","","","","","Research School of Chemistry","10","P 1 21/c 1","-P 2ybc","14","","","","- C30 H32 Au B Cl N6 O2 P S W -","- C30 H32 Au B Cl N6 O2 P S W -","- C120 H128 Au4 B4 Cl4 N24 O8 P4 S4 W4 -","4","1","","Colebatch, Annie L.; Hill, Anthony F.","Coordination chemistry of phosphinocarbynes: phosphorus vs. carbyne site selectivity.","Dalton transactions (Cambridge, England : 2003)","2017","46","13","4355","4365","10.1039/c6dt04770j","","","0.71073","MoKα","","0.0688","0.0427","","0.118","0.0954","0.118","","","","","","0.9435","","","","has coordinates","195081","2020-10-21","18:00:00",""
"7042313","23.7948","0.0004","10.6312","0.0002","24.9238","0.0005","90","","116.06","0.0009","90","","5663.91","0.19","200","","200","","","","","","","","Research School of Chemistry","9","P 1 21/c 1","-P 2ybc","14","","","","- C43 H51 Au3 B2 Cl5 N12 O4 P W2 -","- C43 H51 Au3 B2 Cl5 N12 O4 P W2 -","- C172 H204 Au12 B8 Cl20 N48 O16 P4 W8 -","4","1","","Colebatch, Annie L.; Hill, Anthony F.","Coordination chemistry of phosphinocarbynes: phosphorus vs. carbyne site selectivity.","Dalton transactions (Cambridge, England : 2003)","2017","46","13","4355","4365","10.1039/c6dt04770j","","","0.71073","MoKα","","0.0865","0.0563","","0.1602","0.134","0.1602","","","","","","0.9445","","","","has coordinates","195081","2020-10-21","18:00:00",""
"7042314","12.5001","0.0013","14.7647","0.0014","17.4599","0.001","66.723","0.007","69.805","0.007","73.373","0.009","2735.9","0.5","150","","150","","","","","","","","Research School of Chemistry","9","P -1","-P 1","2","","","","- C46 H59 Au B2 Cl N12 O5 P W2 -","- C46 H59 Au B2 Cl N12 O5 P W2 -","- C92 H118 Au2 B4 Cl2 N24 O10 P2 W4 -","2","1","","Colebatch, Annie L.; Hill, Anthony F.","Coordination chemistry of phosphinocarbynes: phosphorus vs. carbyne site selectivity.","Dalton transactions (Cambridge, England : 2003)","2017","46","13","4355","4365","10.1039/c6dt04770j","","","0.71073","MoKα","","0.1542","0.0806","","0.1747","0.1292","0.1747","","","","","","0.9965","","","","has coordinates","195081","2020-10-21","18:00:00",""
"7042316","15.9461","0.0006","16.3041","0.0006","7.6492","0.0003","90","","97.132","0.001","90","","1973.3","0.13","103","2","103","2","","","","","","","","6","C 1 c 1","C -2yc","9","","' Chloro-(η^5^-pentamethylcyclopentadienyl)-(quinolin-8-olato)- rhodium'","","- C19 H27 Cl N O4 Rh -","- C19 H27 Cl N O4 Rh -","- C76 H108 Cl4 N4 O16 Rh4 -","4","1","","Dömötör, Orsolya; Pape, Veronika F. S.; May, Nóra V; Szakács, Gergely; Enyedy, Éva A","Comparative solution equilibrium studies of antitumor ruthenium(η(6)-p-cymene) and rhodium(η(5)-C5Me5) complexes of 8-hydroxyquinolines.","Dalton transactions (Cambridge, England : 2003)","2017","46","13","4382","4396","10.1039/c7dt00439g","","","0.71073","MoKα","","0.0329","0.0311","","","0.073","0.0739","","","","","","1.105","","","","has coordinates","195068","2020-10-21","18:00:00",""
"7042317","13.3995","0.00019","20.0326","0.0002","16.0729","0.0002","90","","109.251","0.002","90","","4073.15","0.1","100","2","100","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C41 H30 Cl7 Ir N4 O4 -","- C41 H30 Cl7 Ir N4 O4 -","- C164 H120 Cl28 Ir4 N16 O16 -","4","1","","Takimoto, Kazuyoshi; Watanabe, Yutaka; Mori, Shigeki; Sato, Hisako","Vibrational circular dichroism and single crystal X-Ray diffraction analyses of [Ir(bzq)2(phen)](+) (bzq = benzo[h]quinoline; phen = 1,10-phenanthroline): absolute configuration and role of CH-π interaction in molecular packing.","Dalton transactions (Cambridge, England : 2003)","2017","46","13","4397","4402","10.1039/c7dt00606c","","","0.71075","MoKα","","0.0261","0.0241","","","0.053","0.0537","","","","","","1.107","","","","has coordinates,has disorder","195082","2020-10-21","18:00:00",""
"7042318","9.63469","0.0001","9.63469","0.0001","36.5088","0.0005","90","","90","","90","","3389.01","0.07","100","2","100","2","","","","","","","","7","P 43","P 4cw","78","","","","- C41 H26 Cl2 F3 Ir N4 O2 -","- C41 H26 Cl2 F3 Ir N4 O2 -","- C164 H104 Cl8 F12 Ir4 N16 O8 -","4","1","","Takimoto, Kazuyoshi; Watanabe, Yutaka; Mori, Shigeki; Sato, Hisako","Vibrational circular dichroism and single crystal X-Ray diffraction analyses of [Ir(bzq)2(phen)](+) (bzq = benzo[h]quinoline; phen = 1,10-phenanthroline): absolute configuration and role of CH-π interaction in molecular packing.","Dalton transactions (Cambridge, England : 2003)","2017","46","13","4397","4402","10.1039/c7dt00606c","","","0.71075","MoKα","","0.0269","0.0244","","","0.0515","0.0523","","","","","","1.061","","","","has coordinates,has disorder","195082","2020-10-21","18:00:00",""
"7042319","10.1227","0.0017","10.5974","0.0018","17.488","0.003","85.367","0.009","89.39","0.009","81.389","0.009","1848.8","0.5","100","2","100","2","","","","","","","","6","P -1","-P 1","2","","","","- C65 H9 Cl2 I N2 S2 -","- C65 H9 Cl2 I N2 S2 -","- C130 H18 Cl4 I2 N4 S4 -","2","1","","Aghabali, Amineh; Jun, Sharon; Olmstead, Marilyn M.; Balch, Alan L.","Piperazine-functionalized C60 and diiodine or iodine monochloride as components in forming supramolecular assemblies.","Dalton transactions (Cambridge, England : 2003)","2017","46","11","3710","3715","10.1039/c7dt00026j","","","0.7749","synchrotron","","0.1019","0.0874","","","0.218","0.2236","","","","","","1.164","","","","has coordinates","195106","2020-10-21","18:00:00",""
"7042320","10.0074","0.0012","16.2272","0.0019","16.3038","0.0019","90","","103.748","0.002","90","","2571.8","0.5","90","2","90","2","","","","","","","","4","P 1 2/c 1","-P 2yc","13","","","","- C81.3 H25.3 I4.23 N2 -","- C81.304 H25.304 I4.232 N2 -","- C162.608 H50.608 I8.464 N4 -","2","0.5","","Aghabali, Amineh; Jun, Sharon; Olmstead, Marilyn M.; Balch, Alan L.","Piperazine-functionalized C60 and diiodine or iodine monochloride as components in forming supramolecular assemblies.","Dalton transactions (Cambridge, England : 2003)","2017","46","11","3710","3715","10.1039/c7dt00026j","","","0.71073","MoKα","","0.0568","0.0485","","","0.1267","0.1338","","","","","","1.063","","","","has coordinates,has disorder","195106","2020-10-21","18:00:00",""
"7042321","18.352","0.003","31.141","0.005","14.417","0.002","90","","90","","90","","8239","2","90","2","90","2","","","","","","","","6","P c c n","-P 2ab 2ac","56","","","","- C131 H17.4 Cl5.4 I4 N4 S4.6 -","- C131 H17.4 Cl5.4 I4 N4 S4.6 -","- C524 H69.6 Cl21.6 I16 N16 S18.4 -","4","0.5","","Aghabali, Amineh; Jun, Sharon; Olmstead, Marilyn M.; Balch, Alan L.","Piperazine-functionalized C60 and diiodine or iodine monochloride as components in forming supramolecular assemblies.","Dalton transactions (Cambridge, England : 2003)","2017","46","11","3710","3715","10.1039/c7dt00026j","","","0.71073","MoKα","","0.051","0.0366","","","0.0835","0.0898","","","","","","1.044","","","","has coordinates,has disorder","195106","2020-10-21","18:00:00",""
"7042322","10.997","0.015","12.383","0.017","15.72","0.02","91.91","0.02","90.78","0.02","97.89","0.02","2119","5","100","2","100","2","","","","","","","","4","P -1","-P 1","2","","","","- C49 H62 N2 U -","- C49 H62 N2 U -","- C98 H124 N4 U2 -","2","1","","Zhang, Lei; Hou, Guohua; Zi, Guofu; Ding, Wanjian; Walter, Marc D.","Preparation of a uranium metallacyclocumulene and its reactivity towards unsaturated organic molecules.","Dalton transactions (Cambridge, England : 2003)","2017","46","11","3716","3728","10.1039/c7dt00396j","","","0.71073","MoKα","","0.1155","0.0678","","","0.1586","0.1836","","","","","","0.95","","","","has coordinates","195101","2020-10-21","18:00:00",""
"7042323","11.959","0.013","14.189","0.015","20.45","0.02","104.941","0.016","96.003","0.018","94.395","0.018","3315","6","100","2","100","2","","","","","","","","4","P -1","-P 1","2","","","","- C72 H101 S2 U2 -","- C72 H101 S2 U2 -","- C144 H202 S4 U4 -","2","1","","Zhang, Lei; Hou, Guohua; Zi, Guofu; Ding, Wanjian; Walter, Marc D.","Preparation of a uranium metallacyclocumulene and its reactivity towards unsaturated organic molecules.","Dalton transactions (Cambridge, England : 2003)","2017","46","11","3716","3728","10.1039/c7dt00396j","","","0.71073","MoKα","","0.0873","0.0515","","","0.1198","0.134","","","","","","0.956","","","","has coordinates","195101","2020-10-21","18:00:00",""
"7042324","21.053","0.012","11.027","0.006","18.894","0.01","90","","107.466","0.009","90","","4184","4","100","2","100","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C49 H57 N S U -","- C49 H57 N S U -","- C196 H228 N4 S4 U4 -","4","1","","Zhang, Lei; Hou, Guohua; Zi, Guofu; Ding, Wanjian; Walter, Marc D.","Preparation of a uranium metallacyclocumulene and its reactivity towards unsaturated organic molecules.","Dalton transactions (Cambridge, England : 2003)","2017","46","11","3716","3728","10.1039/c7dt00396j","","","0.71073","MoKα","","0.0907","0.0665","","","0.155","0.1668","","","","","","1.02","","","","has coordinates","195101","2020-10-21","18:00:00",""
"7042325","10.9194","0.0004","14.2942","0.0005","18.0576","0.0005","76.408","0.003","88.112","0.003","86.399","0.003","2733.68","0.16","100","0.1","100","0.1","","","","","","","","4","P -1","-P 1","2","","","","- C64 H82 N2 U -","- C64 H82 N2 U -","- C128 H164 N4 U2 -","2","1","","Zhang, Lei; Hou, Guohua; Zi, Guofu; Ding, Wanjian; Walter, Marc D.","Preparation of a uranium metallacyclocumulene and its reactivity towards unsaturated organic molecules.","Dalton transactions (Cambridge, England : 2003)","2017","46","11","3716","3728","10.1039/c7dt00396j","","x-ray","0.71073","MoKα","","0.0577","0.0467","","","0.0977","0.1037","","","","","","1.052","","","","has coordinates","195101","2020-10-21","18:00:00",""
"7042326","10.68","0.011","11.535","0.012","20.41","0.03","100.043","0.015","92.65","0.02","99.242","0.014","2437","5","100","2","100","2","","","","","","","","4","P -1","-P 1","2","","","","- C55 H74 N2 U -","- C55 H74 N2 U -","- C110 H148 N4 U2 -","2","1","","Zhang, Lei; Hou, Guohua; Zi, Guofu; Ding, Wanjian; Walter, Marc D.","Preparation of a uranium metallacyclocumulene and its reactivity towards unsaturated organic molecules.","Dalton transactions (Cambridge, England : 2003)","2017","46","11","3716","3728","10.1039/c7dt00396j","","","0.71073","MoKα","","0.0843","0.0723","","","0.1804","0.1852","","","","","","1.119","","","","has coordinates","195101","2020-10-21","18:00:00",""
"7042327","10.426","0.007","11.296","0.008","22.085","0.016","94.734","0.012","102.021","0.012","102.836","0.011","2458","3","100","2","100","2","","","","","","","","4","P -1","-P 1","2","","","","- C54 H72 O2 U -","- C54 H72 O2 U -","- C108 H144 O4 U2 -","2","1","","Zhang, Lei; Hou, Guohua; Zi, Guofu; Ding, Wanjian; Walter, Marc D.","Preparation of a uranium metallacyclocumulene and its reactivity towards unsaturated organic molecules.","Dalton transactions (Cambridge, England : 2003)","2017","46","11","3716","3728","10.1039/c7dt00396j","","","0.71073","MoKα","","0.0737","0.0627","","","0.1682","0.1865","","","","","","1.012","","","","has coordinates","195101","2020-10-21","18:00:00",""
"7042328","11.734","0.008","14.198","0.01","21.577","0.015","74.345","0.011","79.24","0.01","86.69","0.011","3400","4","180","2","180","2","","","","","","","","4","P -1","-P 1","2","","","","- C80 H84 O2 U -","- C80 H84 O2 U -","- C160 H168 O4 U2 -","2","1","","Zhang, Lei; Hou, Guohua; Zi, Guofu; Ding, Wanjian; Walter, Marc D.","Preparation of a uranium metallacyclocumulene and its reactivity towards unsaturated organic molecules.","Dalton transactions (Cambridge, England : 2003)","2017","46","11","3716","3728","10.1039/c7dt00396j","","","0.71073","MoKα","","0.0687","0.0447","","","0.0958","0.1036","","","","","","0.975","","","","has coordinates,has disorder","195101","2020-10-21","18:00:00",""
"7042329","24.935","0.016","24.935","0.016","11.671","0.011","90","","90","","90","","7256","9","100","2","100","2","","","","","","","","3","I -4 2 d","I -4 2bw","122","","","","- C42 H52 U -","- C42 H52 U -","- C336 H416 U8 -","8","0.5","","Zhang, Lei; Hou, Guohua; Zi, Guofu; Ding, Wanjian; Walter, Marc D.","Preparation of a uranium metallacyclocumulene and its reactivity towards unsaturated organic molecules.","Dalton transactions (Cambridge, England : 2003)","2017","46","11","3716","3728","10.1039/c7dt00396j","","","0.71073","MoKα","","0.077","0.0525","","","0.0996","0.1095","","","","","","0.97","","","","has coordinates","195101","2020-10-21","18:00:00",""
"7042330","10.817","0.009","18.009","0.009","19.81","0.012","90","","100.859","0.017","90","","3790","4","100","2","100","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C36 H60 Si2 U -","- C36 H60 Si2 U -","- C144 H240 Si8 U4 -","4","0.5","","Zhang, Lei; Hou, Guohua; Zi, Guofu; Ding, Wanjian; Walter, Marc D.","Preparation of a uranium metallacyclocumulene and its reactivity towards unsaturated organic molecules.","Dalton transactions (Cambridge, England : 2003)","2017","46","11","3716","3728","10.1039/c7dt00396j","","","0.71073","MoKα","","0.0649","0.0477","","","0.0983","0.1064","","","","","","0.952","","","","has coordinates","195101","2020-10-21","18:00:00",""
"7042331","18.2793","0.0007","11.4855","0.0007","13.2212","0.0006","90","","100.471","0.002","90","","2729.5","0.2","153","1","153","1","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- Ce2 I18 K8 O53 -","- Ce2 I18 K8 O53 -","- Ce4 I36 K16 O106 -","2","0.25","","Wu, Ruofei; Jiang, Xingxing; Xia, Mingjun; Liu, Lijuan; Wang, Xiaoyang; Lin, Zheshuai; Chen, Chuangtian","K8Ce2I18O53: a novel potassium cerium(iv) iodate with enhanced visible light driven photocatalytic activity resulting from polar zero dimensional [Ce(IO3)8](4-) units.","Dalton transactions (Cambridge, England : 2003)","2017","46","13","4170","4173","10.1039/c7dt00185a","","","0.71073","MoKα","","0.0504","0.0458","","","0.1141","0.1177","","","","","","1.063","","","","has coordinates","195076","2020-10-21","18:00:00",""
"7042332","12.0125","0.0009","13.6844","0.001","14.8622","0.0011","65.643","0.001","69.316","0.001","77.524","0.001","2075.1","0.3","100","","100","","","","","","","","","6","P -1","-P 1","2","","","","- C51.5 H45 Co N6 O1.5 P -","- C51.5 H43 Co N6 O1.5 P -","- C103 H86 Co2 N12 O3 P2 -","2","1","","Kurokawa, Masashi; Jose-Larong, Judy Fe F; Hasegawa, Hiroyuki; Takahashi, Yukihiro; Harada, Jun; Inabe, Tamotsu","Structural and transport properties of neutral radical crystals of Co(III)(tmp)(CN)2 (tmp = 5,10,15,20-tetramethylporphyrinato) and the CN-bridged polymer [Co(III)(tmp)(CN)]n.","Dalton transactions (Cambridge, England : 2003)","2017","46","13","4422","4429","10.1039/c6dt04418b","","","0.71073","MoKα","","0.0399","0.0372","","","0.1001","0.1022","","","","","","1.047","","","","has coordinates,has disorder","195086","2020-10-21","18:00:00",""
"7042333","11.7053","0.0017","19.13","0.003","11.7373","0.0017","90","","114.655","0.002","90","","2388.6","0.6","100","","100","","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C28 H26 Co N5 O -","- C28 H26 Co N5 O -","- C112 H104 Co4 N20 O4 -","4","2","","Kurokawa, Masashi; Jose-Larong, Judy Fe F; Hasegawa, Hiroyuki; Takahashi, Yukihiro; Harada, Jun; Inabe, Tamotsu","Structural and transport properties of neutral radical crystals of Co(III)(tmp)(CN)2 (tmp = 5,10,15,20-tetramethylporphyrinato) and the CN-bridged polymer [Co(III)(tmp)(CN)]n.","Dalton transactions (Cambridge, England : 2003)","2017","46","13","4422","4429","10.1039/c6dt04418b","","","0.71073","MoKα","","0.1024","0.0698","","","0.1434","0.1581","","","","","","1.084","","","","has coordinates,has disorder","195086","2020-10-21","18:00:00",""
"7042334","8.6078","0.0017","9.3943","0.0018","13.337","0.003","89.409","0.004","81.068","0.004","76.91","0.003","1037.4","0.4","100","","100","","","","","","","","","4","P -1","-P 1","2","","","","- C26 H20 Co N6 -","- C26 H20 Co N6 -","- C52 H40 Co2 N12 -","2","1","","Kurokawa, Masashi; Jose-Larong, Judy Fe F; Hasegawa, Hiroyuki; Takahashi, Yukihiro; Harada, Jun; Inabe, Tamotsu","Structural and transport properties of neutral radical crystals of Co(III)(tmp)(CN)2 (tmp = 5,10,15,20-tetramethylporphyrinato) and the CN-bridged polymer [Co(III)(tmp)(CN)]n.","Dalton transactions (Cambridge, England : 2003)","2017","46","13","4422","4429","10.1039/c6dt04418b","","","0.71073","MoKα","","0.0965","0.0612","","","0.1305","0.1408","","","","","","1.056","","","","has coordinates","195086","2020-10-21","18:00:00",""
"7042335","12.9104","0.0016","14.7785","0.0018","14.7219","0.0018","90","","114.368","0.0018","90","","2558.7","0.5","110","","110","","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C30 H26 Co N8 -","- C30 H26 Co N8 -","- C120 H104 Co4 N32 -","4","0.5","","Kurokawa, Masashi; Jose-Larong, Judy Fe F; Hasegawa, Hiroyuki; Takahashi, Yukihiro; Harada, Jun; Inabe, Tamotsu","Structural and transport properties of neutral radical crystals of Co(III)(tmp)(CN)2 (tmp = 5,10,15,20-tetramethylporphyrinato) and the CN-bridged polymer [Co(III)(tmp)(CN)]n.","Dalton transactions (Cambridge, England : 2003)","2017","46","13","4422","4429","10.1039/c6dt04418b","","","0.71073","MoKα","","0.0421","0.0372","","","0.0969","0.0993","","","","","","1.114","","","","has coordinates","195086","2020-10-21","18:00:00",""
"7042336","10.4157","0.0002","10.7643","0.0003","29.2352","0.0007","100.177","0.001","91.982","0.001","93.945","0.001","3214.92","0.13","153","2","153","2","","","","","","","","6","P -1","-P 1","2","","","","- C32 H37.5 Cl N6.5 P Ru -","- C32 H37.5 Cl N6.5 P Ru -","- C128 H150 Cl4 N26 P4 Ru4 -","4","2","","Brackemeyer, D.; Schulte To Brinke, C.; Roelfes, F.; Hahn, F. E.","Regioselective C8-metalation of N-phosphine tethered adenine derivatives via C8-H activation.","Dalton transactions (Cambridge, England : 2003)","2017","46","14","4510","4513","10.1039/c7dt00682a","","","0.71073","MoKα","","0.0461","0.0334","","","0.0722","0.0777","","","","","","1.018","","","","has coordinates,has disorder","196433","2020-10-21","18:00:00",""
"7042337","8.7068","0.0002","17.0934","0.0003","20.915","0.0004","90","","90.899","0.001","90","","3112.37","0.11","153","2","153","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C30 H35 Cl4 N5 P Rh -","- C30 H35 Cl4 N5 P Rh -","- C120 H140 Cl16 N20 P4 Rh4 -","4","1","","Brackemeyer, D.; Schulte To Brinke, C.; Roelfes, F.; Hahn, F. E.","Regioselective C8-metalation of N-phosphine tethered adenine derivatives via C8-H activation.","Dalton transactions (Cambridge, England : 2003)","2017","46","14","4510","4513","10.1039/c7dt00682a","","","0.71073","MoKα","","0.0629","0.0558","","","0.1271","0.13","","","","","","1.162","","","","has coordinates,has disorder","196433","2020-10-21","18:00:00",""
"7042338","8.7266","0.0002","17.0401","0.0004","20.9621","0.0005","90","","90.952","0.001","90","","3116.68","0.13","153","2","153","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C30 H35 Cl4 Ir N5 P -","- C30 H35 Cl4 Ir N5 P -","- C120 H140 Cl16 Ir4 N20 P4 -","4","1","","Brackemeyer, D.; Schulte To Brinke, C.; Roelfes, F.; Hahn, F. E.","Regioselective C8-metalation of N-phosphine tethered adenine derivatives via C8-H activation.","Dalton transactions (Cambridge, England : 2003)","2017","46","14","4510","4513","10.1039/c7dt00682a","","","0.71073","MoKα","","0.0445","0.0364","","","0.0736","0.0753","","","","","","1.201","","","","has coordinates,has disorder","196433","2020-10-21","18:00:00",""
"7042339","13.8919","0.0002","17.5284","0.0002","14.0531","0.0002","90","","108.463","0.001","90","","3245.83","0.08","153","2","153","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C30 H34 Cl5 Ir N5 P -","- C30 H34 Cl5 Ir N5 P -","- C120 H136 Cl20 Ir4 N20 P4 -","4","1","","Brackemeyer, D.; Schulte To Brinke, C.; Roelfes, F.; Hahn, F. E.","Regioselective C8-metalation of N-phosphine tethered adenine derivatives via C8-H activation.","Dalton transactions (Cambridge, England : 2003)","2017","46","14","4510","4513","10.1039/c7dt00682a","","","0.71073","MoKα","","0.0204","0.0178","","","0.0452","0.0462","","","","","","0.966","","","","has coordinates","196433","2020-10-21","18:00:00",""
"7042340","9.767","0.0004","15.3025","0.0005","12.908","0.0005","90","","111.908","0.005","90","","1789.9","0.13","200","","200","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C38 H122 N24 Ni4 O19 -","- C38 H122 N24 Ni4 O19 -","- C38 H122 N24 Ni4 O19 -","1","0.25","","Rühlig, Karoline; Abylaikhan, Akerke; Aliabadi, Azar; Kataev, Vladislav; Liebing, Simon; Schwalbe, Sebastian; Trepte, Kai; Ludt, Christian; Kortus, Jens; Büchner, Bernd; Rüffer, Tobias; Lang, Heinrich","Ni(II) formate complexes with bi- and tridentate nitrogen-donor ligands: synthesis, characterization, and magnetic and thermal properties.","Dalton transactions (Cambridge, England : 2003)","2017","46","12","3963","3979","10.1039/c6dt04556a","","","1.54184","CuKα","","0.0952","0.0691","","","0.224","0.2365","","","","","","1.018","","","","has coordinates,has disorder","195116","2020-10-21","18:00:00",""
"7042341","13.2477","0.0005","8.7413","0.0003","13.7152","0.0005","90","","92.087","0.003","90","","1587.2","0.1","110","","110","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C10 H28 N6 Ni O4 -","- C10 H28 N6 Ni O4 -","- C40 H112 N24 Ni4 O16 -","4","1","","Rühlig, Karoline; Abylaikhan, Akerke; Aliabadi, Azar; Kataev, Vladislav; Liebing, Simon; Schwalbe, Sebastian; Trepte, Kai; Ludt, Christian; Kortus, Jens; Büchner, Bernd; Rüffer, Tobias; Lang, Heinrich","Ni(II) formate complexes with bi- and tridentate nitrogen-donor ligands: synthesis, characterization, and magnetic and thermal properties.","Dalton transactions (Cambridge, England : 2003)","2017","46","12","3963","3979","10.1039/c6dt04556a","","","0.71073","MoKα","","0.0389","0.0345","","","0.0772","0.0792","","","","","","1.05","","","","has coordinates","195116","2020-10-21","18:00:00",""
"7042342","26.9488","0.0011","13.7861","0.0005","27.4426","0.0014","90","","108.68","0.005","90","","9658.4","0.8","100","","100","","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C16 H38 N4 Ni2 O9 -","- C16 H38 N4 Ni2 O9 -","- C256 H608 N64 Ni32 O144 -","16","2","","Rühlig, Karoline; Abylaikhan, Akerke; Aliabadi, Azar; Kataev, Vladislav; Liebing, Simon; Schwalbe, Sebastian; Trepte, Kai; Ludt, Christian; Kortus, Jens; Büchner, Bernd; Rüffer, Tobias; Lang, Heinrich","Ni(II) formate complexes with bi- and tridentate nitrogen-donor ligands: synthesis, characterization, and magnetic and thermal properties.","Dalton transactions (Cambridge, England : 2003)","2017","46","12","3963","3979","10.1039/c6dt04556a","","","0.71073","MoKα","","0.0501","0.0369","","","0.0843","0.0906","","","","","","1.037","","","","has coordinates,has disorder","195116","2020-10-21","18:00:00",""
"7042343","30.8174","0.0007","8.5618","0.0004","13.1881","0.0006","90","","119.006","0.003","90","","3043.2","0.2","110","","110","","","","","","","","","5","C 1 c 1","C -2yc","9","","","","- C11 H26 N3 Ni O4.5 -","- C11 H26 N3 Ni O4.5 -","- C88 H208 N24 Ni8 O36 -","8","2","","Rühlig, Karoline; Abylaikhan, Akerke; Aliabadi, Azar; Kataev, Vladislav; Liebing, Simon; Schwalbe, Sebastian; Trepte, Kai; Ludt, Christian; Kortus, Jens; Büchner, Bernd; Rüffer, Tobias; Lang, Heinrich","Ni(II) formate complexes with bi- and tridentate nitrogen-donor ligands: synthesis, characterization, and magnetic and thermal properties.","Dalton transactions (Cambridge, England : 2003)","2017","46","12","3963","3979","10.1039/c6dt04556a","","","0.71073","MoKα","","0.028","0.0259","","","0.0575","0.0587","","","","","","1.03","","","","has coordinates","202518","2020-10-21","18:00:00",""
"7042344","27.1365","0.0006","13.9455","0.0002","27.7677","0.0006","90","","108.481","0.002","90","","9966.3","0.4","293","","293","","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C16 H38 N4 Ni2 O9 -","- C16 H38 N4 Ni2 O9 -","- C256 H608 N64 Ni32 O144 -","16","2","","Rühlig, Karoline; Abylaikhan, Akerke; Aliabadi, Azar; Kataev, Vladislav; Liebing, Simon; Schwalbe, Sebastian; Trepte, Kai; Ludt, Christian; Kortus, Jens; Büchner, Bernd; Rüffer, Tobias; Lang, Heinrich","Ni(II) formate complexes with bi- and tridentate nitrogen-donor ligands: synthesis, characterization, and magnetic and thermal properties.","Dalton transactions (Cambridge, England : 2003)","2017","46","12","3963","3979","10.1039/c6dt04556a","","","1.54184","CuKα","","0.0511","0.0395","","","0.1049","0.1081","","","","","","0.958","","","","has coordinates,has disorder","195116","2020-10-21","18:00:00",""
"7042345","22.8514","0.0007","72.36","0.002","5.8722","0.0002","90","","90","","90","","9709.8","0.5","120","2","120","2","","","","","","","","7","F d d 2","F 2 -2d","43","","","","- C24 H24 Cl3 N4 P Pt S -","- C24 H24 Cl3 N4 P Pt S -","- C384 H384 Cl48 N64 P16 Pt16 S16 -","16","1","","Solomatina, Anastasia I.; Aleksandrova, Irina O.; Karttunen, Antti J.; Tunik, Sergey P.; Koshevoy, Igor O.","Dibenzothiophene-platinated complexes: probing the effect of ancillary ligands on the photophysical performance.","Dalton transactions (Cambridge, England : 2003)","2017","46","12","3895","3905","10.1039/c7dt00349h","","","0.71073","MoKα","","0.0321","0.0256","","","0.0442","0.0453","","","","","","1.055","","","","has coordinates","195125","2020-10-21","18:00:00",""
"7042346","14.3412","0.0005","14.7639","0.0005","16.5461","0.0006","65.277","0.001","69.176","0.001","82.204","0.001","2974","0.18","120","2","120","2","","","","","","","","8","P -1","-P 1","2","","","","- C145 H112 Cl6 N8 O P2 Pt2 S2 -","- C145 H112 Cl6 N8 O P2 Pt2 S2 -","- C145 H112 Cl6 N8 O P2 Pt2 S2 -","1","0.5","","Solomatina, Anastasia I.; Aleksandrova, Irina O.; Karttunen, Antti J.; Tunik, Sergey P.; Koshevoy, Igor O.","Dibenzothiophene-platinated complexes: probing the effect of ancillary ligands on the photophysical performance.","Dalton transactions (Cambridge, England : 2003)","2017","46","12","3895","3905","10.1039/c7dt00349h","","","0.71073","MoKα","","0.0367","0.0322","","","0.0853","0.0884","","","","","","1.068","","","","has coordinates","195125","2020-10-21","18:00:00",""
"7042347","9.7875","0.0007","16.9299","0.0012","18.1399","0.0012","109.001","0.002","91.579","0.002","106.545","0.002","2700.3","0.3","120","2","120","2","","","","","","","","7","P -1","-P 1","2","","","","- C61 H30 B F24 N3 Pt S -","- C61 H30 B F24 N3 Pt S -","- C122 H60 B2 F48 N6 Pt2 S2 -","2","1","","Solomatina, Anastasia I.; Aleksandrova, Irina O.; Karttunen, Antti J.; Tunik, Sergey P.; Koshevoy, Igor O.","Dibenzothiophene-platinated complexes: probing the effect of ancillary ligands on the photophysical performance.","Dalton transactions (Cambridge, England : 2003)","2017","46","12","3895","3905","10.1039/c7dt00349h","","","0.71073","MoKα","","0.0613","0.0489","","","0.0731","0.0761","","","","","","1.067","","","","has coordinates,has disorder","195125","2020-10-21","18:00:00",""
"7042348","14.1551","0.0003","12.8383","0.0003","10.3284","0.0002","90","","110.264","0.001","90","","1760.78","0.07","150","2","150","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C19 H16 Cl N O Pt S2 -","- C19 H16 Cl N O Pt S2 -","- C76 H64 Cl4 N4 O4 Pt4 S8 -","4","1","","Solomatina, Anastasia I.; Aleksandrova, Irina O.; Karttunen, Antti J.; Tunik, Sergey P.; Koshevoy, Igor O.","Dibenzothiophene-platinated complexes: probing the effect of ancillary ligands on the photophysical performance.","Dalton transactions (Cambridge, England : 2003)","2017","46","12","3895","3905","10.1039/c7dt00349h","","","0.71073","MoKα","","0.0182","0.0157","","","0.0296","0.0301","","","","","","1.099","","","","has coordinates","195125","2020-10-21","18:00:00",""
"7042349","14.9248","0.0019","19.983","0.003","21.437","0.003","90","","90","","90","","6393.4","1.5","150","2","150","2","","","","","","","","8","P b c a","-P 2ac 2ab","61","","","","- C38 H31 Cl N O3 P Pt S -","- C38 H31 Cl N O3 P Pt S -","- C304 H248 Cl8 N8 O24 P8 Pt8 S8 -","8","1","","Solomatina, Anastasia I.; Aleksandrova, Irina O.; Karttunen, Antti J.; Tunik, Sergey P.; Koshevoy, Igor O.","Dibenzothiophene-platinated complexes: probing the effect of ancillary ligands on the photophysical performance.","Dalton transactions (Cambridge, England : 2003)","2017","46","12","3895","3905","10.1039/c7dt00349h","","","0.71073","MoKα","","0.0234","0.0184","","","0.0429","0.0453","","","","","","1.083","","","","has coordinates","195125","2020-10-21","18:00:00",""
"7042350","19.685","0.003","9.0677","0.0013","18.272","0.003","90","","111.318","0.004","90","","3038.3","0.8","150","2","150","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C36 H27 Cl3 N P Pt S -","- C36 H27 Cl3 N P Pt S -","- C144 H108 Cl12 N4 P4 Pt4 S4 -","4","1","","Solomatina, Anastasia I.; Aleksandrova, Irina O.; Karttunen, Antti J.; Tunik, Sergey P.; Koshevoy, Igor O.","Dibenzothiophene-platinated complexes: probing the effect of ancillary ligands on the photophysical performance.","Dalton transactions (Cambridge, England : 2003)","2017","46","12","3895","3905","10.1039/c7dt00349h","","","0.71073","MoKα","","0.053","0.0388","","","0.0769","0.0807","","","","","","1.058","","","","has coordinates","195125","2020-10-21","18:00:00",""
"7042351","15.7792","0.0003","24.0043","0.0005","39.2309","0.0009","90","","90","","90","","14859.4","0.5","150","2","150","2","","","","","","","","8","P b c a","-P 2ac 2ab","61","","","","- C38 H22 Cl F9 N P Pt S -","- C38 H22 Cl F9 N P Pt S -","- C608 H352 Cl16 F144 N16 P16 Pt16 S16 -","16","2","","Solomatina, Anastasia I.; Aleksandrova, Irina O.; Karttunen, Antti J.; Tunik, Sergey P.; Koshevoy, Igor O.","Dibenzothiophene-platinated complexes: probing the effect of ancillary ligands on the photophysical performance.","Dalton transactions (Cambridge, England : 2003)","2017","46","12","3895","3905","10.1039/c7dt00349h","","","0.71073","MoKα","","0.0527","0.0318","","","0.0581","0.063","","","","","","1.015","","","","has coordinates,has disorder","195125","2020-10-21","18:00:00",""
"7042352","18.0471","0.0004","9.7853","0.0002","31.2267","0.0007","90","","104.75","0.001","90","","5332.8","0.2","120","2","120","2","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C59 H30 B F24 N3 Pt S -","- C59 H30 B F24 N3 Pt S -","- C236 H120 B4 F96 N12 Pt4 S4 -","4","1","","Solomatina, Anastasia I.; Aleksandrova, Irina O.; Karttunen, Antti J.; Tunik, Sergey P.; Koshevoy, Igor O.","Dibenzothiophene-platinated complexes: probing the effect of ancillary ligands on the photophysical performance.","Dalton transactions (Cambridge, England : 2003)","2017","46","12","3895","3905","10.1039/c7dt00349h","","","0.71073","MoKα","","0.0322","0.0267","","","0.0552","0.0573","","","","","","1.08","","","","has coordinates,has disorder","195125","2020-10-21","18:00:00",""
"7042353","9.0984","0.0005","12.745","0.0008","14.8158","0.0009","73.077","0.002","86.803","0.002","84.281","0.002","1634.8","0.17","150","2","150","2","","","","","","","","8","P -1","-P 1","2","","","","- C36 H27 Cl3 N O2 P Pt S -","- C36 H27 Cl3 N O2 P Pt S -","- C72 H54 Cl6 N2 O4 P2 Pt2 S2 -","2","1","","Solomatina, Anastasia I.; Aleksandrova, Irina O.; Karttunen, Antti J.; Tunik, Sergey P.; Koshevoy, Igor O.","Dibenzothiophene-platinated complexes: probing the effect of ancillary ligands on the photophysical performance.","Dalton transactions (Cambridge, England : 2003)","2017","46","12","3895","3905","10.1039/c7dt00349h","","","0.71073","MoKα","","0.0242","0.0196","","","0.0444","0.0462","","","","","","1.035","","","","has coordinates","195125","2020-10-21","18:00:00",""
"7042354","10.4003","0.0008","36.096","0.003","19.1737","0.0015","90","","90.873","0.002","90","","7197.1","1","150","2","150","2","","","","","","","","8","P 1 21/n 1","-P 2yn","14","","","","- C79 H46 B F24 N P2 Pt S -","- C79 H46 B F24 N P2 Pt S -","- C316 H184 B4 F96 N4 P8 Pt4 S4 -","4","1","","Solomatina, Anastasia I.; Aleksandrova, Irina O.; Karttunen, Antti J.; Tunik, Sergey P.; Koshevoy, Igor O.","Dibenzothiophene-platinated complexes: probing the effect of ancillary ligands on the photophysical performance.","Dalton transactions (Cambridge, England : 2003)","2017","46","12","3895","3905","10.1039/c7dt00349h","","","0.71073","MoKα","","0.0422","0.0337","","","0.0645","0.0671","","","","","","1.087","","","","has coordinates,has disorder","195125","2020-10-21","18:00:00",""
"7042355","7.1139","0.001","11.4378","0.0014","13.3912","0.0015","81.884","0.005","84.954","0.005","81.231","0.006","1063.6","0.2","100","0.2","100","0.2","","","","","","","","4","P -1","-P 1","2","","","","- C10 H25 B20 P -","- C10 H25 B20 P -","- C20 H50 B40 P2 -","2","1","","Riley, Laura E.; Krämer, Tobias; McMullin, Claire L.; Ellis, David; Rosair, Georgina M.; Sivaev, Igor B.; Welch, Alan J.","Large, weakly basic bis(carboranyl)phosphines: an experimental and computational study.","Dalton transactions (Cambridge, England : 2003)","2017","46","16","5218","5228","10.1039/c7dt00485k","","","0.71073","MoKα","","0.0871","0.0685","","","0.126","0.1342","","","","","","1.135","","","","has coordinates","196425","2020-10-21","18:00:00",""
"7042356","7.1663","0.0007","11.0308","0.0015","14.573","0.002","111.478","0.009","92.125","0.009","104.679","0.006","1026.2","0.2","100","","100","","","","","","","","","5","P -1","-P 1","2","","","","- C6 H25 B20 P Se -","- C6 H25 B20 P Se -","- C12 H50 B40 P2 Se2 -","2","1","","Riley, Laura E.; Krämer, Tobias; McMullin, Claire L.; Ellis, David; Rosair, Georgina M.; Sivaev, Igor B.; Welch, Alan J.","Large, weakly basic bis(carboranyl)phosphines: an experimental and computational study.","Dalton transactions (Cambridge, England : 2003)","2017","46","16","5218","5228","10.1039/c7dt00485k","","","0.71073","MoKα","","0.0634","0.041","","","0.0861","0.0939","","","","","","1.036","","","","has coordinates","196425","2020-10-21","18:00:00",""
"7042357","17.0588","0.0008","14.2499","0.0007","20.0698","0.0009","90","","102.497","0.003","90","","4763.1","0.4","100","","100","","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C10 H25 Au B20 Cl P -","- C10 H25 Au B20 Cl P -","- C80 H200 Au8 B160 Cl8 P8 -","8","1","","Riley, Laura E.; Krämer, Tobias; McMullin, Claire L.; Ellis, David; Rosair, Georgina M.; Sivaev, Igor B.; Welch, Alan J.","Large, weakly basic bis(carboranyl)phosphines: an experimental and computational study.","Dalton transactions (Cambridge, England : 2003)","2017","46","16","5218","5228","10.1039/c7dt00485k","","","0.71073","MoKα","","0.0519","0.0342","","","0.0602","0.0647","","","","","","1.015","","","","has coordinates","196425","2020-10-21","18:00:00",""
"7042358","10.3457","0.0012","16.9431","0.0017","13.6941","0.0014","90","","105.612","0.006","90","","2311.9","0.4","100","","100","","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C10 H25 B20 P Se -","- C10 H25 B20 P Se -","- C40 H100 B80 P4 Se4 -","4","1","","Riley, Laura E.; Krämer, Tobias; McMullin, Claire L.; Ellis, David; Rosair, Georgina M.; Sivaev, Igor B.; Welch, Alan J.","Large, weakly basic bis(carboranyl)phosphines: an experimental and computational study.","Dalton transactions (Cambridge, England : 2003)","2017","46","16","5218","5228","10.1039/c7dt00485k","","","0.71073","MoKα","","0.0554","0.0365","","","0.0767","0.0827","","","","","","1.034","","","","has coordinates","196425","2020-10-21","18:00:00",""
"7042359","10.438","0.0013","17.711","0.002","27.475","0.003","90","","90","","90","","5079.2","1","100","0.2","100","0.2","","","","","","","","6","P b c a","-P 2ac 2ab","61","","","","- C7.25 H27.5 Au B20 Cl3.5 P -","- C6 H25 Au B20 Cl P -","- C48 H200 Au8 B160 Cl8 P8 -","8","1","","Riley, Laura E.; Krämer, Tobias; McMullin, Claire L.; Ellis, David; Rosair, Georgina M.; Sivaev, Igor B.; Welch, Alan J.","Large, weakly basic bis(carboranyl)phosphines: an experimental and computational study.","Dalton transactions (Cambridge, England : 2003)","2017","46","16","5218","5228","10.1039/c7dt00485k","","","0.71073","MoKα","","0.0476","0.0297","","","0.0585","0.0622","","","","","","1.02","","","","has coordinates","196425","2020-10-21","18:00:00",""
"7042360","23.441","0.002","7.269","0.0006","24.083","0.002","90","","108.29","0.005","90","","3896.3","0.6","100","2","100","","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C6 H25 B20 P -","- C6 H25 B20 P -","- C48 H200 B160 P8 -","8","2","","Riley, Laura E.; Krämer, Tobias; McMullin, Claire L.; Ellis, David; Rosair, Georgina M.; Sivaev, Igor B.; Welch, Alan J.","Large, weakly basic bis(carboranyl)phosphines: an experimental and computational study.","Dalton transactions (Cambridge, England : 2003)","2017","46","16","5218","5228","10.1039/c7dt00485k","","","0.71073","MoKα","","0.1435","0.0795","","","0.1841","0.2133","","","","","","1.053","","","","has coordinates","196425","2020-10-21","18:00:00",""
"7042361","10.612","0.007","14.967","0.008","12.324","0.008","90","","112.89","0.04","90","","1803","2","80","2","80","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C36 H58 N2 O6 Zn2 -","- C36 H58 N2 O6 Zn2 -","- C72 H116 N4 O12 Zn4 -","2","0.5","","Jędrzkiewicz, D; Kantorska, D.; Wojtaszak, J.; Ejfler, J.; Szafert, S.","DFT calculations as a ligand toolbox for the synthesis of active initiators for ROP of cyclic esters.","Dalton transactions (Cambridge, England : 2003)","2017","46","15","4929","4942","10.1039/c7dt00394c","","","0.71073","MoKα","","0.0823","0.0341","","","0.0462","0.0491","","","","","","0.935","","","","has coordinates","196469","2020-10-21","18:00:00",""
"7042362","13.02","0.003","10.104","0.002","17.315","0.003","90","","103.54","0.02","90","","2214.5","0.8","150","2","150","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C46 H72 N2 O2 Zn2 -","- C46 H72 N2 O2 Zn2 -","- C92 H144 N4 O4 Zn4 -","2","1","","Jędrzkiewicz, D; Kantorska, D.; Wojtaszak, J.; Ejfler, J.; Szafert, S.","DFT calculations as a ligand toolbox for the synthesis of active initiators for ROP of cyclic esters.","Dalton transactions (Cambridge, England : 2003)","2017","46","15","4929","4942","10.1039/c7dt00394c","","","0.71073","MoKα","","0.0647","0.0613","","","0.1508","0.1556","","","","","","1.07","","","","has coordinates","196469","2020-10-21","18:00:00",""
"7042363","16.32274","0.00018","16.32274","0.00018","13.22212","0.00018","90","","90","","90","","3522.79","0.07","100","","100","","","","","","","","synthesized","6","P 4/n :2","-P 4a","85","","","","- C76 H76 B Co F4 N14 -","- C76 H76 B Co F4 N14 -","- C152 H152 B2 Co2 F8 N28 -","2","0.25","","Bennington, Michael S.; Feltham, Humphrey L. C.; Buxton, Zoë J; White, Nicholas G.; Brooker, Sally","Tuneable reversible redox of cobalt(iii) carbazole complexes.","Dalton transactions (Cambridge, England : 2003)","2017","46","14","4696","4710","10.1039/c7dt00295e","","","1.54184","CuKα","","0.0673","0.0619","","0.1809","0.1725","0.1809","","","","","","1.0276","","","","has coordinates,has disorder","196451","2020-10-21","18:00:00",""
"7042364","16.6488","0.0004","20.3208","0.0006","28.7288","0.0011","90","","94.014","0.003","90","","9695.6","0.5","100","","100","","","","","","","","synthesized","7","P 1 21/c 1","-P 2ybc","14","","","","- C98 H123 B Co F4 N14 O1.5 -","- C98 H123 B Co F4 N14 O1.5 -","- C392 H492 B4 Co4 F16 N56 O6 -","4","1","","Bennington, Michael S.; Feltham, Humphrey L. C.; Buxton, Zoë J; White, Nicholas G.; Brooker, Sally","Tuneable reversible redox of cobalt(iii) carbazole complexes.","Dalton transactions (Cambridge, England : 2003)","2017","46","14","4696","4710","10.1039/c7dt00295e","","","0.71073","MoKα","","0.1029","0.087","","0.2234","0.2103","0.2233","","","","","","0.9664","","","","has coordinates,has disorder","196451","2020-10-21","18:00:00",""
"7042365","17.3437","0.0003","24.7996","0.0004","26.5881","0.0005","90","","107.976","0.002","90","","10877.8","0.4","100","","100","","","","","","","","synthesized","7","P 1 21/n 1","-P 2yn","14","","","","- C61.5 H48.5 B Co F4 N14.5 O -","- C61.5 H48.5 B Co F4 N14.5 O -","- C492 H388 B8 Co8 F32 N116 O8 -","8","2","","Bennington, Michael S.; Feltham, Humphrey L. C.; Buxton, Zoë J; White, Nicholas G.; Brooker, Sally","Tuneable reversible redox of cobalt(iii) carbazole complexes.","Dalton transactions (Cambridge, England : 2003)","2017","46","14","4696","4710","10.1039/c7dt00295e","","","0.71073","MoKα","","0.0696","0.0582","","0.1517","0.1409","0.1516","","","","","","0.9564","","","","has coordinates","203412","2020-10-21","18:00:00",""
"7042366","15.7973","0.0003","16.5287","0.0004","18.5432","0.0004","72.8513","0.0019","74.927","0.0019","67.484","0.002","4214.08","0.17","100","","100","","","","","","","","synthesized","7","P -1","-P 1","2","","","","- C82 H91 B Co F4 N14 O1.5 -","- C82 H91 B Co F4 N14 O1.5 -","- C164 H182 B2 Co2 F8 N28 O3 -","2","1","","Bennington, Michael S.; Feltham, Humphrey L. C.; Buxton, Zoë J; White, Nicholas G.; Brooker, Sally","Tuneable reversible redox of cobalt(iii) carbazole complexes.","Dalton transactions (Cambridge, England : 2003)","2017","46","14","4696","4710","10.1039/c7dt00295e","","","1.54184","CuKα","","0.1361","0.1173","","0.3408","0.3113","0.3408","","","","","","0.979","","","","has coordinates,has disorder","196451","2020-10-21","18:00:00",""
"7042367","7.1303","0.0004","8.7216","0.0005","9.2829","0.0006","82.676","0.002","83.138","0.002","72.688","0.002","544.6","0.06","115","2","115","2","","","","","","","","4","P -1","-P 1","2","","","","- C18 H32 P2 Si2 -","- C18 H32 P2 Si2 -","- C18 H32 P2 Si2 -","1","0.5","","Reuter, K.; Maas, R. G. M.; Reuter, A.; Kilgenstein, F.; Asfaha, Y.; von Hänisch, C","Synthesis of heteroatomic bridged paracyclophanes.","Dalton transactions (Cambridge, England : 2003)","2017","46","14","4530","4541","10.1039/c7dt00321h","","","0.71073","MoKα","","0.0413","0.0354","","","0.1047","0.1092","","","","","","1.096","","","","has coordinates","196439","2020-10-21","18:00:00",""
"7042368","7.1205","0.0004","8.6746","0.0005","9.1371","0.0005","82.356","0.002","76.703","0.002","68.797","0.002","511.29","0.05","100","2","100","2","","","","","","","","4","P -1","-P 1","2","","","","- C18 H32 N2 Si2 -","- C18 H32 N2 Si2 -","- C18 H32 N2 Si2 -","1","0.5","","Reuter, K.; Maas, R. G. M.; Reuter, A.; Kilgenstein, F.; Asfaha, Y.; von Hänisch, C","Synthesis of heteroatomic bridged paracyclophanes.","Dalton transactions (Cambridge, England : 2003)","2017","46","14","4530","4541","10.1039/c7dt00321h","","","0.71073","MoKα","","0.0429","0.0384","","","0.1187","0.1215","","","","","","1.131","","","","has coordinates","196439","2020-10-21","18:00:00",""
"7042369","11.4453","0.0007","13.4431","0.0009","14.5944","0.0008","67.504","0.002","68.993","0.002","88.105","0.002","1922.6","0.2","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","","","- C33 H62 Ga2 P2 Si2 -","- C33 H62 Ga2 P2 Si2 -","- C66 H124 Ga4 P4 Si4 -","2","1","","Reuter, K.; Maas, R. G. M.; Reuter, A.; Kilgenstein, F.; Asfaha, Y.; von Hänisch, C","Synthesis of heteroatomic bridged paracyclophanes.","Dalton transactions (Cambridge, England : 2003)","2017","46","14","4530","4541","10.1039/c7dt00321h","","","0.71073","MoKα","","0.0491","0.0317","","","0.0655","0.0707","","","","","","1.024","","","","has coordinates,has disorder","196439","2020-10-21","18:00:00",""
"7042370","8.7688","0.0004","10.4447","0.0005","11.9094","0.0006","90","","103.242","0.004","90","","1061.75","0.09","153","2","153","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","1,4-bis(diisopropylsilylchloro)benzene","","- C18 H32 Cl2 Si2 -","- C18 H32 Cl2 Si2 -","- C36 H64 Cl4 Si4 -","2","0.5","","Reuter, K.; Maas, R. G. M.; Reuter, A.; Kilgenstein, F.; Asfaha, Y.; von Hänisch, C","Synthesis of heteroatomic bridged paracyclophanes.","Dalton transactions (Cambridge, England : 2003)","2017","46","14","4530","4541","10.1039/c7dt00321h","","","0.71073","MoKα","","0.0426","0.0319","","","0.0815","0.0846","","","","","","0.961","","","","has coordinates","196439","2020-10-21","18:00:00",""
"7042371","6.4554","0.0004","10.2475","0.0006","10.4165","0.0007","90","","96.7","0.003","90","","684.36","0.07","100","2","99.99","","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","1,4-bis(dimethylsilylchloro)benzene","","- C10 H16 Cl2 Si2 -","- C10 H16 Cl2 Si2 -","- C20 H32 Cl4 Si4 -","2","0.5","","Reuter, K.; Maas, R. G. M.; Reuter, A.; Kilgenstein, F.; Asfaha, Y.; von Hänisch, C","Synthesis of heteroatomic bridged paracyclophanes.","Dalton transactions (Cambridge, England : 2003)","2017","46","14","4530","4541","10.1039/c7dt00321h","","","0.71073","MoKα","","0.0291","0.0242","","","0.0589","0.0609","","","","","","1.111","","","","has coordinates","196439","2020-10-21","18:00:00",""
"7042372","9.2321","0.001","9.5654","0.001","12.1031","0.0012","103.979","0.004","94.721","0.004","109.762","0.003","960.21","0.18","100","2","100","2","","","","","","","","4","P -1","-P 1","2","","","","- C18 H33 P Si2 -","- C18 H33 P Si2 -","- C36 H66 P2 Si4 -","2","1","","Reuter, K.; Maas, R. G. M.; Reuter, A.; Kilgenstein, F.; Asfaha, Y.; von Hänisch, C","Synthesis of heteroatomic bridged paracyclophanes.","Dalton transactions (Cambridge, England : 2003)","2017","46","14","4530","4541","10.1039/c7dt00321h","","","0.71073","MoKα","","0.0569","0.0437","","","0.1021","0.1087","","","","","","1.068","","","","has coordinates","196439","2020-10-21","18:00:00",""
"7042373","6.5882","0.0007","10.5545","0.0011","10.6184","0.0012","90","","95.877","0.004","90","","734.47","0.14","105","2","105","","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C10 H18.3 P2 Si2 -","- C10 H18.304 P2 Si2 -","- C20 H36.608 P4 Si4 -","2","0.5","","Reuter, K.; Maas, R. G. M.; Reuter, A.; Kilgenstein, F.; Asfaha, Y.; von Hänisch, C","Synthesis of heteroatomic bridged paracyclophanes.","Dalton transactions (Cambridge, England : 2003)","2017","46","14","4530","4541","10.1039/c7dt00321h","","","0.71073","MoKα","","0.0465","0.0345","","","0.0836","0.0888","","","","","","1.054","","","","has coordinates,has disorder","196439","2020-10-21","18:00:00",""
"7042374","8.7323","0.0003","12.0878","0.0004","22.5265","0.0009","90","","94.95","0.001","90","","2368.9","0.15","100","2","100","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C20 H34 N2 Si4 -","- C20 H34 N2 Si4 -","- C80 H136 N8 Si16 -","4","1","","Reuter, K.; Maas, R. G. M.; Reuter, A.; Kilgenstein, F.; Asfaha, Y.; von Hänisch, C","Synthesis of heteroatomic bridged paracyclophanes.","Dalton transactions (Cambridge, England : 2003)","2017","46","14","4530","4541","10.1039/c7dt00321h","","","0.71073","MoKα","","0.032","0.0269","","","0.0753","0.0784","","","","","","1.08","","","","has coordinates","196439","2020-10-21","18:00:00",""
"7042375","12.4377","0.0009","12.9833","0.0008","15.6637","0.001","104.231","0.002","105.552","0.002","101.563","0.002","2263.9","0.3","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","","","- C18.5 H34.5 Cl1.5 O2 Si2 -","- C18.5 H34.5 Cl1.5 O2 Si2 -","- C74 H138 Cl6 O8 Si8 -","4","2","","Reuter, K.; Maas, R. G. M.; Reuter, A.; Kilgenstein, F.; Asfaha, Y.; von Hänisch, C","Synthesis of heteroatomic bridged paracyclophanes.","Dalton transactions (Cambridge, England : 2003)","2017","46","14","4530","4541","10.1039/c7dt00321h","","","0.71073","MoKα","","0.072","0.0424","","","0.085","0.0955","","","","","","1.028","","","","has coordinates","203412","2020-10-21","18:00:00",""
"7042376","16.6181","0.0006","18.9494","0.0008","19.7553","0.0008","90","","90","","90","","6221","0.4","100","2","100","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C52 H108 Ga4 N4 Si4 -","- C52 H108 Ga4 N4 Si4 -","- C208 H432 Ga16 N16 Si16 -","4","1","","Reuter, K.; Maas, R. G. M.; Reuter, A.; Kilgenstein, F.; Asfaha, Y.; von Hänisch, C","Synthesis of heteroatomic bridged paracyclophanes.","Dalton transactions (Cambridge, England : 2003)","2017","46","14","4530","4541","10.1039/c7dt00321h","","","0.71073","MoKα","","0.044","0.0325","","","0.0771","0.081","","","","","","1.097","","","","has coordinates,has disorder","196439","2020-10-21","18:00:00",""
"7042377","10.37","0.002","10.025","0.002","19.575","0.004","90","","92.13","0.03","90","","2033.6","0.7","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C15 H16 N6 O4 Zn -","- C15 H16 N6 O4 Zn -","- C60 H64 N24 O16 Zn4 -","4","1","","Liu, Xiao-Jing; Wang, Xi; Xu, Jia-Li; Tian, Dan; Chen, Rong-Ying; Xu, Jian; Bu, Xian-He","Selective gas adsorption and fluorescence sensing response of a Zn(ii) metal-organic framework constructed by a mixed-ligand strategy.","Dalton transactions (Cambridge, England : 2003)","2017","46","15","4893","4897","10.1039/c7dt00330g","","","0.71073","MoKα","","0.22","0.1057","","","0.2095","0.2574","","","","","","1.013","","","","has coordinates","196460","2020-10-21","18:00:00",""
"7042378","19.052","0.0003","16.367","0.0008","23.821","0.0004","90","","90","","90","","7428","0.4","173","2","173","2","","","","","","","","8","P b c a","-P 2ac 2ab","61","","","","- C31 H38 F6 Ir N O5 P2 S4 -","- C31 H38 F6 Ir N O5 P2 S4 -","- C248 H304 F48 Ir8 N8 O40 P16 S32 -","8","1","","Doyle, Lauren E.; Piers, Warren E.; Bi, David W.","Cationic PCP iridaepoxide and carbene complexes for facile water elimination and activation processes.","Dalton transactions (Cambridge, England : 2003)","2017","46","13","4346","4354","10.1039/c7dt00563f","","","0.7107","MoKα","","0.0316","0.0263","","","0.0581","0.0609","","","","","","1.062","","","","has coordinates","195083","2020-10-21","18:00:00",""
"7042379","8.095","0.002","15.58","0.003","18.098","0.004","102.04","0.03","90.11","0.03","92.16","0.03","2230.6","0.9","173","2","173","2","","","","","","","","8","P -1","-P 1","2","","","","- C37 H48 F6 Ir N O6 P2 S4 -","- C37 H48 F6 Ir N O6 P2 S4 -","- C74 H96 F12 Ir2 N2 O12 P4 S8 -","2","1","","Doyle, Lauren E.; Piers, Warren E.; Bi, David W.","Cationic PCP iridaepoxide and carbene complexes for facile water elimination and activation processes.","Dalton transactions (Cambridge, England : 2003)","2017","46","13","4346","4354","10.1039/c7dt00563f","","","0.7107","MoKα","","0.0385","0.0322","","","0.0668","0.0699","","","","","","1.083","","","","has coordinates","195083","2020-10-21","18:00:00",""
"7042380","8.9579","0.0015","9.414","0.0016","16.571","0.003","81.907","0.005","83.885","0.005","71.564","0.005","1309.6","0.4","150","2","150","2","","","","","","","","5","P -1","-P 1","2","","","","- C25 H36 F3 N4 Ta -","- C25 H36 F3 N4 Ta -","- C50 H72 F6 N8 Ta2 -","2","1","","Petrov, Pavel A.; Sukhikh, Taisiya S.; Sokolov, Maxim N.","NHC adducts of tantalum amidohalides: the first example of NHC abnormally coordinated to an early transition metal.","Dalton transactions (Cambridge, England : 2003)","2017","46","15","4902","4906","10.1039/c7dt00748e","","","0.71073","MoKα","","0.0503","0.0354","","","0.0605","0.0644","","","","","","1.011","","","","has coordinates","196467","2020-10-21","18:00:00",""
"7042381","12.9377","0.0007","14.4117","0.0008","16.3741","0.0009","90","","94.899","0.002","90","","3041.9","0.3","150","2","150","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C27 H42 Cl2 N5 Ta -","- C27 H42 Cl2 N5 Ta -","- C108 H168 Cl8 N20 Ta4 -","4","1","","Petrov, Pavel A.; Sukhikh, Taisiya S.; Sokolov, Maxim N.","NHC adducts of tantalum amidohalides: the first example of NHC abnormally coordinated to an early transition metal.","Dalton transactions (Cambridge, England : 2003)","2017","46","15","4902","4906","10.1039/c7dt00748e","","","0.71073","MoKα","","0.0195","0.0155","","","0.0344","0.0359","","","","","","1.064","","","","has coordinates","196467","2020-10-21","18:00:00",""
"7042382","12.5698","0.0011","26.431","0.002","15.2341","0.0013","90","","94.091","0.003","90","","5048.4","0.7","150","2","150","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C48 H67 Cl3 N7 Ta -","- C48 H67 Cl3 N7 Ta -","- C192 H268 Cl12 N28 Ta4 -","4","1","","Petrov, Pavel A.; Sukhikh, Taisiya S.; Sokolov, Maxim N.","NHC adducts of tantalum amidohalides: the first example of NHC abnormally coordinated to an early transition metal.","Dalton transactions (Cambridge, England : 2003)","2017","46","15","4902","4906","10.1039/c7dt00748e","","","0.71073","MoKα","","0.0833","0.0551","","","0.1123","0.1229","","","","","","1.068","","","","has coordinates","196467","2020-10-21","18:00:00",""
"7042383","8.8138","0.0006","9.5873","0.0007","16.5828","0.0011","81.404","0.002","84.287","0.002","71.383","0.002","1311.01","0.16","150","2","150.15","","","","","","","","","5","P -1","-P 1","2","","","","- C25 H38 F3 N4 Ta -","- C25 H38 F3 N4 Ta -","- C50 H76 F6 N8 Ta2 -","2","1","","Petrov, Pavel A.; Sukhikh, Taisiya S.; Sokolov, Maxim N.","NHC adducts of tantalum amidohalides: the first example of NHC abnormally coordinated to an early transition metal.","Dalton transactions (Cambridge, England : 2003)","2017","46","15","4902","4906","10.1039/c7dt00748e","","","0.71073","MoKα","","0.0149","0.0144","","","0.0365","0.0368","","","","","","1.085","","","","has coordinates","196467","2020-10-21","18:00:00",""
"7042384","12.2754","0.0004","18.8021","0.0006","18.9382","0.0006","90","","90","","90","","4371","0.2","110","","110","","","","","","","","","7","P b c a","-P 2ac 2ab","61","","","","- C18 H11 Cl2 F10 N3 O Re -","- C18 H11 Cl2 F10 N3 O Re -","- C144 H88 Cl16 F80 N24 O8 Re8 -","8","1","","Pérez, Damaris E; Smeltz, Jessica L.; Sommer, Roger D.; Boyle, Paul D.; Ison, Elon A.","Cationic rhenium(iii) complexes: synthesis, characterization, and reactivity for hydrosilylation of aldehydes.","Dalton transactions (Cambridge, England : 2003)","2017","46","14","4609","4616","10.1039/c7dt00271h","","","0.71073","MoKα","","0.0663","0.0323","","","0.0609","0.0703","","","","","","1.021","","","","has coordinates","196448","2020-10-21","18:00:00",""
"7042385","9.777","0.002","16.855","0.004","36.649","0.008","90","","94.471","0.009","90","","6021","2","110","","110","","","","","","","","","8","P 1 21/c 1","-P 2ybc","14","","","","- C55 H31 B Cl2 F34 N5 O Re -","- C55 H31 B Cl2 F34 N5 O Re -","- C220 H124 B4 Cl8 F136 N20 O4 Re4 -","4","1","","Pérez, Damaris E; Smeltz, Jessica L.; Sommer, Roger D.; Boyle, Paul D.; Ison, Elon A.","Cationic rhenium(iii) complexes: synthesis, characterization, and reactivity for hydrosilylation of aldehydes.","Dalton transactions (Cambridge, England : 2003)","2017","46","14","4609","4616","10.1039/c7dt00271h","","","0.71073","MoKα","","0.0907","0.0509","","","0.1101","0.1242","","","","","","1.03","","","","has coordinates","196448","2020-10-21","18:00:00",""
"7042386","22.3852","0.0005","14.7691","0.0003","19.6678","0.0005","90","","104.123","0.001","90","","6305.8","0.3","100","2","100","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","DEP-03-529-1b","","","- C29 H40.5 B F4 N5.5 O Re -","- C29 H40.5 B F4 N5.5 O Re -","- C232 H324 B8 F32 N44 O8 Re8 -","8","2","","Pérez, Damaris E; Smeltz, Jessica L.; Sommer, Roger D.; Boyle, Paul D.; Ison, Elon A.","Cationic rhenium(iii) complexes: synthesis, characterization, and reactivity for hydrosilylation of aldehydes.","Dalton transactions (Cambridge, England : 2003)","2017","46","14","4609","4616","10.1039/c7dt00271h","","","0.71073","MoKα","","0.045","0.027","","","0.0495","0.0542","","","","","","1.009","","","","has coordinates,has disorder","196448","2020-10-21","18:00:00",""
"7042387","12.5635","0.0005","12.6072","0.0004","12.7731","0.0004","88","0.002","73.097","0.003","82.987","0.003","1921.25","0.12","100","2","100","2","","","","","","","","6","P -1","-P 1","2","","","","- C32 H40 F18 Mo N2 O3 -","- C32 H40 F18 Mo N2 O3 -","- C64 H80 F36 Mo2 N4 O6 -","2","1","","Àrias, Òscar; Brandhorst, Kai; Baabe, Dirk; Freytag, Matthias; Jones, Peter G.; Tamm, Matthias","Formation of paramagnetic metallacyclobutadienes by reaction of diaminoacetylenes with molybdenum alkylidyne complexes.","Dalton transactions (Cambridge, England : 2003)","2017","46","14","4737","4748","10.1039/c7dt00305f","","","1.54184","CuKα","","0.0337","0.0318","","","0.0818","0.0833","","","","","","1.04","","","","has coordinates,has disorder","196449","2020-10-21","18:00:00",""
"7042388","11.23","0.0006","12.6831","0.0006","15.8296","0.001","101.495","0.005","110.382","0.006","95.857","0.004","2034.7","0.2","100","2","100","2","","","","","","","","6","P -1","-P 1","2","","","","- C36 H44 F18 Mo N2 O3 -","- C36 H44 F18 Mo N2 O3 -","- C72 H88 F36 Mo2 N4 O6 -","2","1","","Àrias, Òscar; Brandhorst, Kai; Baabe, Dirk; Freytag, Matthias; Jones, Peter G.; Tamm, Matthias","Formation of paramagnetic metallacyclobutadienes by reaction of diaminoacetylenes with molybdenum alkylidyne complexes.","Dalton transactions (Cambridge, England : 2003)","2017","46","14","4737","4748","10.1039/c7dt00305f","","","1.54184","CuKα","","0.0523","0.0492","","","0.1255","0.1279","","","","","","1.038","","","","has coordinates,has disorder","196449","2020-10-21","18:00:00",""
"7042389","14.691","0.003","13.722","0.003","30.36","0.006","90","","100.67","0.03","90","","6014","2","298","2","298","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C66 H80 O4 P Sc -","- C66 H80 O4 P Sc -","- C264 H320 O16 P4 Sc4 -","4","1","","Chang, Kejian; Xu, Xin","Frustrated Lewis pair behavior of a neutral scandium complex.","Dalton transactions (Cambridge, England : 2003)","2017","46","14","4514","4517","10.1039/c7dt00676d","","","0.71073","MoKα","","0.1536","0.0851","","","0.1926","0.242","","","","","","1.03","","","","has coordinates,has disorder","196440","2020-10-21","18:00:00",""
"7042390","13.3905","0.001","21.2638","0.0013","19.9069","0.0014","90","","109.581","0.008","90","","5340.4","0.7","293","2","293","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C58 H76 Cl O3 P Rh Sc -","- C58 H76 Cl O3 P Rh Sc -","- C232 H304 Cl4 O12 P4 Rh4 Sc4 -","4","1","","Chang, Kejian; Xu, Xin","Frustrated Lewis pair behavior of a neutral scandium complex.","Dalton transactions (Cambridge, England : 2003)","2017","46","14","4514","4517","10.1039/c7dt00676d","","","0.71073","MoKα","","0.1127","0.0526","","","0.0674","0.0882","","","","","","0.983","","","","has coordinates","196440","2020-10-21","18:00:00",""
"7042391","14.4995","0.0007","14.6904","0.0008","24.1181","0.0013","90","","91.068","0.002","90","","5136.3","0.5","296","2","296","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C58 H66 O4 P Sc -","- C58 H66 O4 P Sc -","- C232 H264 O16 P4 Sc4 -","4","1","","Chang, Kejian; Xu, Xin","Frustrated Lewis pair behavior of a neutral scandium complex.","Dalton transactions (Cambridge, England : 2003)","2017","46","14","4514","4517","10.1039/c7dt00676d","","","0.71073","MoKα","","0.0645","0.0486","","","0.1246","0.1367","","","","","","1.044","","","","has coordinates,has disorder","196440","2020-10-21","18:00:00",""
"7042392","11.4591","0.0011","23.029","0.002","19.604","0.002","90","","100.734","0.003","90","","5082.8","0.8","120","2","120","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C54 H82 O4 P Sc -","- C54 H82 O4 P Sc -","- C216 H328 O16 P4 Sc4 -","4","1","","Chang, Kejian; Xu, Xin","Frustrated Lewis pair behavior of a neutral scandium complex.","Dalton transactions (Cambridge, England : 2003)","2017","46","14","4514","4517","10.1039/c7dt00676d","","","0.71073","MoKα","","0.0918","0.0602","","","0.1744","0.1967","","","","","","1.059","","","","has coordinates","196440","2020-10-21","18:00:00",""
"7042393","17.369","0.009","16.138","0.007","22.478","0.011","90","","95.35","0.016","90","","6273","5","278","2","278","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C66 H90 N2 O5 P Sc -","- C66 H90 N2 O5 P Sc -","- C264 H360 N8 O20 P4 Sc4 -","4","1","","Chang, Kejian; Xu, Xin","Frustrated Lewis pair behavior of a neutral scandium complex.","Dalton transactions (Cambridge, England : 2003)","2017","46","14","4514","4517","10.1039/c7dt00676d","","","0.71073","MoKα","","0.1112","0.0622","","","0.1501","0.1963","","","","","","1.088","","","","has coordinates,has disorder","196440","2020-10-21","18:00:00",""
"7042394","9.8222","0.0005","11.7774","0.0006","13.4213","0.0007","66.426","0.002","72.546","0.002","70.537","0.002","1316.5","0.12","200","2","200","2","","","","","","","","5","P -1","-P 1","2","","","","- C25 H36 N2 O5 S2 -","- C25 H36 N2 O5 S2 -","- C50 H72 N4 O10 S4 -","2","1","","Fogeron, Thibault; Retailleau, Pascal; Chamoreau, Lise-Marie; Fontecave, Marc; Li, Yun","The unusual ring scission of a quinoxaline-pyran-fused dithiolene system related to molybdopterin.","Dalton transactions (Cambridge, England : 2003)","2017","46","13","4161","4164","10.1039/c7dt00377c","","","1.54178","CuKα","","0.0349","0.033","","","0.092","0.094","","","","","","0.912","","","","has coordinates","195075","2020-10-21","18:00:00",""
"7042395","17.498","0.004","5.5628","0.0014","17.846","0.005","90","","98.08","0.02","90","","1719.8","0.8","173","2","173","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C18 H19 Co N2 O S2 -","- C18 H19 Co N2 O S2 -","- C72 H76 Co4 N8 O4 S8 -","4","1","","Fogeron, Thibault; Retailleau, Pascal; Chamoreau, Lise-Marie; Fontecave, Marc; Li, Yun","The unusual ring scission of a quinoxaline-pyran-fused dithiolene system related to molybdopterin.","Dalton transactions (Cambridge, England : 2003)","2017","46","13","4161","4164","10.1039/c7dt00377c","","","0.71073","MoKα","","0.0979","0.0542","","","0.1048","0.1189","","","","","","0.987","","","","has coordinates","195075","2020-10-21","18:00:00",""
"7042396","32.4643","0.0017","32.4643","0.0017","10.438","0.0005","90","","90","","120","","9527.1","0.8","200","2","200","2","","","","","","","","6","R -3 :H","-R 3","148","","","","- C43.67 H54 Co2 N4 O2 S4 -","- C42 H50 Co2 N4 O2 S4 -","- C378 H450 Co18 N36 O18 S36 -","9","0.5","","Fogeron, Thibault; Retailleau, Pascal; Chamoreau, Lise-Marie; Fontecave, Marc; Li, Yun","The unusual ring scission of a quinoxaline-pyran-fused dithiolene system related to molybdopterin.","Dalton transactions (Cambridge, England : 2003)","2017","46","13","4161","4164","10.1039/c7dt00377c","","","0.71073","MoKα","","0.0585","0.0357","","","0.0909","0.102","","","","","","0.98","","","","has coordinates","195075","2020-10-21","18:00:00",""
"7042397","10.1653","0.0002","19.6347","0.0006","16.94","0.0005","90","","95.169","0.002","90","","3367.35","0.16","173","2","173.15","","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C18 H15 Co N2 O S2 -","- C18 H15 Co N2 O S2 -","- C144 H120 Co8 N16 O8 S16 -","8","2","","Fogeron, Thibault; Retailleau, Pascal; Chamoreau, Lise-Marie; Fontecave, Marc; Li, Yun","The unusual ring scission of a quinoxaline-pyran-fused dithiolene system related to molybdopterin.","Dalton transactions (Cambridge, England : 2003)","2017","46","13","4161","4164","10.1039/c7dt00377c","","x-ray","0.71073","MoKα","","0.0287","0.0242","","","0.0634","0.0652","","","","","","1.045","","","","has coordinates","195075","2020-10-21","18:00:00",""
"7042398","7.43","0.006","7.43","0.006","7.43","0.006","90","","90","","90","","410.2","0.6","296","2","296","2","","","","","","","","4","P 21 3","P 2ac 2ab 3","198","","","","- B Ca O3 Rb -","- B Ca O3 Rb -","- B4 Ca4 O12 Rb4 -","4","0.333333","","Wen, Ming; Wu, Hongping; Su, Xin; Lu, Juanjuan; Yang, Zhihua; Wu, Xiaohong; Pan, Shilie","ACaBO3 (A = Cs, Rb): two new cubic borates with isolated BO3 groups.","Dalton transactions (Cambridge, England : 2003)","2017","46","15","4968","4974","10.1039/c7dt00251c","","","0.71073","MoKα","","0.0355","0.0275","","","0.0479","0.0498","","","","","","1.002","","","","has coordinates","196464","2020-10-21","18:00:00",""
"7042399","7.572","0.003","7.572","0.003","7.572","0.003","90","","90","","90","","434.1","0.3","296","2","296","2","","","","","","","","4","P 21 3","P 2ac 2ab 3","198","","","","- B Ca Cs O3 -","- B Ca Cs O3 -","- B4 Ca4 Cs4 O12 -","4","0.333333","","Wen, Ming; Wu, Hongping; Su, Xin; Lu, Juanjuan; Yang, Zhihua; Wu, Xiaohong; Pan, Shilie","ACaBO3 (A = Cs, Rb): two new cubic borates with isolated BO3 groups.","Dalton transactions (Cambridge, England : 2003)","2017","46","15","4968","4974","10.1039/c7dt00251c","","","0.71073","MoKα","","0.0308","0.0253","","","0.0438","0.0457","","","","","","0.9","","","","has coordinates","196464","2020-10-21","18:00:00",""
"7042400","23.84","0.05","7.875","0.011","23.38","0.04","90","","102.14","0.03","90","","4291","13","293","2","293","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C6 H21 Br8 Cd N3 -","- C1.09091 H3.81818 Br1.45455 Cd0.181818 N0.545455 -","- C48 H168 Br64 Cd8 N24 -","44","5.5","","Chen, Hai-Peng; Wang, Zhong-Xia; Chen, Cheng; Lu, Yang; Yin, Zi; Sun, Xiao-Fen; Fu, Da-Wei","High-temperature structural phase transition coupled with dielectric switching in an organic-inorganic hybrid crystal: [NH3(CH2)2Br]3CdBr5.","Dalton transactions (Cambridge, England : 2003)","2017","46","14","4711","4716","10.1039/c6dt04799h","","","0.71073","MoKα","","0.0962","0.0676","","","0.1661","0.1942","","","","","","1.083","","","","has coordinates","196444","2020-10-21","18:00:00",""
"7042401","23.92","0.04","7.927","0.009","23.6","0.03","90","","102.41","0.02","90","","4370","10","373","2","373","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C6 H21 Br8 Cd N3 -","- C1.09091 H3.81818 Br1.45455 Cd0.181818 N0.545455 -","- C48 H168 Br64 Cd8 N24 -","44","5.5","","Chen, Hai-Peng; Wang, Zhong-Xia; Chen, Cheng; Lu, Yang; Yin, Zi; Sun, Xiao-Fen; Fu, Da-Wei","High-temperature structural phase transition coupled with dielectric switching in an organic-inorganic hybrid crystal: [NH3(CH2)2Br]3CdBr5.","Dalton transactions (Cambridge, England : 2003)","2017","46","14","4711","4716","10.1039/c6dt04799h","","","0.71073","MoKα","","0.1177","0.0736","","","0.1838","0.2222","","","","","","1.062","","","","has coordinates,has disorder","196444","2020-10-21","18:00:00",""
"7042402","7.465","0.0003","10.1512","0.0004","11.7742","0.0005","104.393","0.001","108.432","0.001","101.803","0.001","780","0.06","170","2","170","2","","","","","","","","5","P -1","-P 1","2","","","","- C30 H30 Cd2 N2 O18 -","- C30 H30 Cd2 N2 O18 -","- C30 H30 Cd2 N2 O18 -","1","0.5","","Aulakh, Darpandeep; Nicoletta, Anthony P.; Pyser, Joshua B.; Varghese, Juby R.; Wriedt, Mario","Design, structural diversity and properties of novel zwitterionic metal‒organic frameworks","Dalton Trans.","2017","","","","","10.1039/C7DT00292K","","","0.71073","MoKα","","0.0203","0.0202","","","0.0532","0.0533","","","","","","1.109","","","","has coordinates,has disorder","194148","2020-10-21","18:00:00",""
"7042403","7.7335","0.0003","10.1906","0.0004","11.7904","0.0004","66.308","0.0011","77.4597","0.0011","71.6632","0.0011","803.26","0.05","170","2","170","2","","","","","","","","5","P -1","-P 1","2","","","","- C15 H15 Mn N O9 -","- C15 H15 Mn N O9 -","- C30 H30 Mn2 N2 O18 -","2","1","","Aulakh, Darpandeep; Nicoletta, Anthony P.; Pyser, Joshua B.; Varghese, Juby R.; Wriedt, Mario","Design, structural diversity and properties of novel zwitterionic metal‒organic frameworks","Dalton Trans.","2017","","","","","10.1039/C7DT00292K","","","0.71073","MoKα","","0.0277","0.0248","","","0.0634","0.0652","","","","","","1.066","","","","has coordinates","194148","2020-10-21","18:00:00",""
"7042404","11.778","0.0007","12.1842","0.0008","13.5056","0.0009","95.876","0.002","98.626","0.002","112.384","0.002","1744.7","0.2","170","2","170","2","","","","","","","","5","P -1","-P 1","2","","","","- C30 H33 Cu N2 O18.5 -","- C30 H33 Cu N2 O18.5 -","- C60 H66 Cu2 N4 O37 -","2","1","","Aulakh, Darpandeep; Nicoletta, Anthony P.; Pyser, Joshua B.; Varghese, Juby R.; Wriedt, Mario","Design, structural diversity and properties of novel zwitterionic metal‒organic frameworks","Dalton Trans.","2017","","","","","10.1039/C7DT00292K","","","0.71073","MoKα","","0.0488","0.0418","","","0.1167","0.1213","","","","","","1.054","","","","has coordinates,has disorder","194148","2020-10-21","18:00:00",""
"7042405","8.6474","0.0004","10.0521","0.0005","10.3075","0.0005","75.8767","0.0014","66.3576","0.0013","83.4926","0.0015","795.84","0.07","170","2","170","2","","","","","","","","5","P -1","-P 1","2","","","","- C15 H16 Mn N O9.5 -","- C15 H16 Mn N O9.5 -","- C30 H32 Mn2 N2 O19 -","2","1","","Aulakh, Darpandeep; Nicoletta, Anthony P.; Pyser, Joshua B.; Varghese, Juby R.; Wriedt, Mario","Design, structural diversity and properties of novel zwitterionic metal‒organic frameworks","Dalton Trans.","2017","","","","","10.1039/C7DT00292K","","","0.71073","MoKα","","0.0318","0.0279","","","0.0709","0.0734","","","","","","1.026","","","","has coordinates,has disorder","194148","2020-10-21","18:00:00",""
"7042406","11.2047","0.0008","14.5919","0.0009","11.9668","0.0007","90","","116.924","0.0018","90","","1744.5","0.2","170","2","170","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C15 H19 Co N O11 -","- C15 H19 Co N O11 -","- C60 H76 Co4 N4 O44 -","4","1","","Aulakh, Darpandeep; Nicoletta, Anthony P.; Pyser, Joshua B.; Varghese, Juby R.; Wriedt, Mario","Design, structural diversity and properties of novel zwitterionic metal‒organic frameworks","Dalton Trans.","2017","","","","","10.1039/C7DT00292K","","","0.71073","MoKα","","0.0315","0.0267","","","0.068","0.0707","","","","","","1.03","","","","has coordinates","194148","2020-10-21","18:00:00",""
"7042407","7.4619","0.0008","22.051","0.002","10.1124","0.0012","90","","102.376","0.004","90","","1625.3","0.3","170","2","170","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C15 H15 N Ni O9 -","- C15 H15 N Ni O9 -","- C60 H60 N4 Ni4 O36 -","4","1","","Aulakh, Darpandeep; Nicoletta, Anthony P.; Pyser, Joshua B.; Varghese, Juby R.; Wriedt, Mario","Design, structural diversity and properties of novel zwitterionic metal‒organic frameworks","Dalton Trans.","2017","","","","","10.1039/C7DT00292K","","","0.71073","MoKα","","0.0532","0.0393","","","0.084","0.0896","","","","","","1.046","","","","has coordinates","194148","2020-10-21","18:00:00",""
"7042408","9.0302","0.0005","10.2284","0.0005","11.2165","0.0006","74.5063","0.0014","71.6148","0.0014","73.406","0.0015","924.15","0.08","170","2","170","2","","","","","","","","5","P -1","-P 1","2","","","","- C15 H21 Cd N O12 -","- C15 H21 Cd N O12 -","- C30 H42 Cd2 N2 O24 -","2","1","","Aulakh, Darpandeep; Nicoletta, Anthony P.; Pyser, Joshua B.; Varghese, Juby R.; Wriedt, Mario","Design, structural diversity and properties of novel zwitterionic metal‒organic frameworks","Dalton Trans.","2017","","","","","10.1039/C7DT00292K","","","0.71073","MoKα","","0.0186","0.0177","","","0.0448","0.0454","","","","","","1.069","","","","has coordinates,has disorder","194148","2020-10-21","18:00:00",""
"7042409","13.848","0.005","10.927","0.005","11.517","0.005","90","","120.34","0.005","90","","1504","1.1","293","2","293","2","","","","","","","","5","C 1 2/m 1","-C 2y","12","","","","- C12 H4 F6 Lu O8 -","- C12 H4 F6 Lu O8 -","- C48 H16 F24 Lu4 O32 -","4","0.5","","Han, Yongqiang; Yan, Pengfei; Sun, Jingwen; An, Guanghui; Yao, Xu; Li, Yuxin; Li, Guangming","Luminescence and white-light emitting luminescent sensor of tetrafluoroterephthalate-lanthanide metal-organic frameworks.","Dalton transactions (Cambridge, England : 2003)","2017","46","14","4642","4653","10.1039/c7dt00215g","","","0.71069","MoKα","","0.0216","0.0202","","","0.0373","0.0383","","","","","","1.028","","","","has coordinates,has disorder","196450","2020-10-21","18:00:00",""
"7042410","13.827","0.005","10.957","0.005","11.517","0.005","90","","120.416","0.005","90","","1504.7","1.1","293","2","293","2","","","","","","","","5","C 1 2/m 1","-C 2y","12","","","","- C11.89 H4 F6 O8 Yb -","- C11.89 H4 F6.006 O8 Yb -","- C47.56 H16 F24.024 O32 Yb4 -","4","0.5","","Han, Yongqiang; Yan, Pengfei; Sun, Jingwen; An, Guanghui; Yao, Xu; Li, Yuxin; Li, Guangming","Luminescence and white-light emitting luminescent sensor of tetrafluoroterephthalate-lanthanide metal-organic frameworks.","Dalton transactions (Cambridge, England : 2003)","2017","46","14","4642","4653","10.1039/c7dt00215g","","","0.71069","MoKα","","0.0298","0.0268","","","0.0551","0.0575","","","","","","1.049","","","","has coordinates,has disorder","196450","2020-10-21","18:00:00",""
"7042411","14.086","0.005","11.349","0.005","11.748","0.005","90","","125.951","0.005","90","","1520.3","1.1","293","2","293","2","","","","","","","","5","C 1 2/m 1","-C 2y","12","","","","- C12 H4 F6 O8 Pr -","- C12 H4 F6 O8 Pr -","- C48 H16 F24 O32 Pr4 -","4","0.5","","Han, Yongqiang; Yan, Pengfei; Sun, Jingwen; An, Guanghui; Yao, Xu; Li, Yuxin; Li, Guangming","Luminescence and white-light emitting luminescent sensor of tetrafluoroterephthalate-lanthanide metal-organic frameworks.","Dalton transactions (Cambridge, England : 2003)","2017","46","14","4642","4653","10.1039/c7dt00215g","","","0.71069","MoKα","","0.0245","0.0228","","","0.05","0.0513","","","","","","1.049","","","","has coordinates","196450","2020-10-21","18:00:00",""
"7042412","13.931","0.005","11.283","0.005","11.654","0.005","90","","125.279","0.005","90","","1495.4","1.1","293","2","293","2","","","","","","","","5","C 1 2/m 1","-C 2y","12","","","","- C12 H4 F6 O8 Sm -","- C12 H4 F6 O8 Sm -","- C48 H16 F24 O32 Sm4 -","4","0.5","","Han, Yongqiang; Yan, Pengfei; Sun, Jingwen; An, Guanghui; Yao, Xu; Li, Yuxin; Li, Guangming","Luminescence and white-light emitting luminescent sensor of tetrafluoroterephthalate-lanthanide metal-organic frameworks.","Dalton transactions (Cambridge, England : 2003)","2017","46","14","4642","4653","10.1039/c7dt00215g","","","0.71069","MoKα","","0.0346","0.0329","","","0.0866","0.0882","","","","","","1.047","","","","has coordinates","196450","2020-10-21","18:00:00",""
"7042413","13.782","0.005","11.192","0.005","11.547","0.005","90","","124.208","0.005","90","","1473","1.1","293","2","293","2","","","","","","","","5","C 1 2/m 1","-C 2y","12","","","","- C12 H4 F6 Ho O8 -","- C12 H4 F6 Ho O8 -","- C48 H16 F24 Ho4 O32 -","4","0.5","","Han, Yongqiang; Yan, Pengfei; Sun, Jingwen; An, Guanghui; Yao, Xu; Li, Yuxin; Li, Guangming","Luminescence and white-light emitting luminescent sensor of tetrafluoroterephthalate-lanthanide metal-organic frameworks.","Dalton transactions (Cambridge, England : 2003)","2017","46","14","4642","4653","10.1039/c7dt00215g","","","0.71069","MoKα","","0.0306","0.0283","","","0.0642","0.0656","","","","","","1.022","","","","has coordinates","196450","2020-10-21","18:00:00",""
"7042414","13.754","0.005","11.149","0.005","11.518","0.005","90","","123.933","0.005","90","","1465.4","1.1","293","2","293","2","","","","","","","","5","C 1 2/m 1","-C 2y","12","","","","- C12 H4 Er F6 O8 -","- C12 H4 Er F6 O8 -","- C48 H16 Er4 F24 O32 -","4","0.5","","Han, Yongqiang; Yan, Pengfei; Sun, Jingwen; An, Guanghui; Yao, Xu; Li, Yuxin; Li, Guangming","Luminescence and white-light emitting luminescent sensor of tetrafluoroterephthalate-lanthanide metal-organic frameworks.","Dalton transactions (Cambridge, England : 2003)","2017","46","14","4642","4653","10.1039/c7dt00215g","","","0.71069","MoKα","","0.03","0.0278","","","0.0641","0.0656","","","","","","1.063","","","","has coordinates","196450","2020-10-21","18:00:00",""
"7042415","10.212","0.005","21.288","0.005","7.905","0.005","90","","98.851","0.005","90","","1698","1.4","293","2","293","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C12 F6 O7 Pr -","- C12 F6 O7 Pr -","- C48 F24 O28 Pr4 -","4","1","","Han, Yongqiang; Yan, Pengfei; Sun, Jingwen; An, Guanghui; Yao, Xu; Li, Yuxin; Li, Guangming","Luminescence and white-light emitting luminescent sensor of tetrafluoroterephthalate-lanthanide metal-organic frameworks.","Dalton transactions (Cambridge, England : 2003)","2017","46","14","4642","4653","10.1039/c7dt00215g","","","0.71069","MoKα","","0.0675","0.0531","","","0.1183","0.1256","","","","","","1.066","","","","has coordinates","196450","2020-10-21","18:00:00",""
"7042416","13.896","0.005","11.257","0.005","11.628","0.005","90","","125.141","0.005","90","","1487.4","1.1","293","2","293","2","","","","","","","","5","C 1 2/m 1","-C 2y","12","","","","- C12 H4 Eu F6 O8 -","- C12 H4 Eu F6 O8 -","- C48 H16 Eu4 F24 O32 -","4","0.5","","Han, Yongqiang; Yan, Pengfei; Sun, Jingwen; An, Guanghui; Yao, Xu; Li, Yuxin; Li, Guangming","Luminescence and white-light emitting luminescent sensor of tetrafluoroterephthalate-lanthanide metal-organic frameworks.","Dalton transactions (Cambridge, England : 2003)","2017","46","14","4642","4653","10.1039/c7dt00215g","","","0.71069","MoKα","","0.0291","0.0275","","","0.069","0.0702","","","","","","1.111","","","","has coordinates","198632","2020-10-21","18:00:00",""
"7042417","13.833","0.005","11.226","0.005","11.579","0.005","90","","124.6","0.005","90","","1480.1","1.1","293","2","293","2","","","","","","","","5","C 1 2/m 1","-C 2y","12","","","","- C12 H4 F6 O8 Tb -","- C12 H4 F6 O8 Tb -","- C48 H16 F24 O32 Tb4 -","4","0.5","","Han, Yongqiang; Yan, Pengfei; Sun, Jingwen; An, Guanghui; Yao, Xu; Li, Yuxin; Li, Guangming","Luminescence and white-light emitting luminescent sensor of tetrafluoroterephthalate-lanthanide metal-organic frameworks.","Dalton transactions (Cambridge, England : 2003)","2017","46","14","4642","4653","10.1039/c7dt00215g","","","0.71069","MoKα","","0.0265","0.0244","","","0.0518","0.0528","","","","","","1.006","","","","has coordinates","196450","2020-10-21","18:00:00",""
"7042418","10.205","0.005","21.215","0.005","7.866","0.005","90","","98.642","0.005","90","","1683.6","1.4","293","2","293","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C12 F6 Nd O7 -","- C12 F6 Nd O7 -","- C48 F24 Nd4 O28 -","4","1","","Han, Yongqiang; Yan, Pengfei; Sun, Jingwen; An, Guanghui; Yao, Xu; Li, Yuxin; Li, Guangming","Luminescence and white-light emitting luminescent sensor of tetrafluoroterephthalate-lanthanide metal-organic frameworks.","Dalton transactions (Cambridge, England : 2003)","2017","46","14","4642","4653","10.1039/c7dt00215g","","","0.71069","MoKα","","0.0574","0.0487","","","0.1291","0.135","","","","","","1.105","","","","has coordinates","196450","2020-10-21","18:00:00",""
"7042419","14.14","0.005","11.358","0.005","11.783","0.005","90","","126.176","0.005","90","","1527.5","1.1","293","2","293","2","","","","","","","","5","C 1 2/m 1","-C 2y","12","","","","- C12 H4 Ce F6 O8 -","- C12 H4 Ce F6 O8 -","- C48 H16 Ce4 F24 O32 -","4","0.5","","Han, Yongqiang; Yan, Pengfei; Sun, Jingwen; An, Guanghui; Yao, Xu; Li, Yuxin; Li, Guangming","Luminescence and white-light emitting luminescent sensor of tetrafluoroterephthalate-lanthanide metal-organic frameworks.","Dalton transactions (Cambridge, England : 2003)","2017","46","14","4642","4653","10.1039/c7dt00215g","","","0.71069","MoKα","","0.0209","0.0201","","","0.0518","0.0521","","","","","","1.096","","","","has coordinates","196450","2020-10-21","18:00:00",""
"7042420","13.886","0.005","11.22","0.005","11.59","0.005","90","","124.941","0.005","90","","1480.2","1.1","293","2","293","2","","","","","","","","5","C 1 2/m 1","-C 2y","12","","","","- C12 H4 F6 Gd O8 -","- C12 H4 F6 Gd O8 -","- C48 H16 F24 Gd4 O32 -","4","0.5","","Han, Yongqiang; Yan, Pengfei; Sun, Jingwen; An, Guanghui; Yao, Xu; Li, Yuxin; Li, Guangming","Luminescence and white-light emitting luminescent sensor of tetrafluoroterephthalate-lanthanide metal-organic frameworks.","Dalton transactions (Cambridge, England : 2003)","2017","46","14","4642","4653","10.1039/c7dt00215g","","","0.71069","MoKα","","0.0346","0.0329","","","0.0826","0.0837","","","","","","1.081","","","","has coordinates","196450","2020-10-21","18:00:00",""
"7042421","13.804","0.005","11.198","0.005","11.558","0.005","90","","124.377","0.005","90","","1474.6","1.1","293","2","293","2","","","","","","","","5","C 1 2/m 1","-C 2y","12","","","","- C12 H4 Dy F6 O8 -","- C12 H4 Dy F6 O8 -","- C48 H16 Dy4 F24 O32 -","4","0.5","","Han, Yongqiang; Yan, Pengfei; Sun, Jingwen; An, Guanghui; Yao, Xu; Li, Yuxin; Li, Guangming","Luminescence and white-light emitting luminescent sensor of tetrafluoroterephthalate-lanthanide metal-organic frameworks.","Dalton transactions (Cambridge, England : 2003)","2017","46","14","4642","4653","10.1039/c7dt00215g","","","0.71069","MoKα","","0.0274","0.0253","","","0.0595","0.0615","","","","","","1.099","","","","has coordinates","196450","2020-10-21","18:00:00",""
"7042422","14.025","0.005","11.325","0.005","11.715","0.005","90","","125.732","0.005","90","","1510.5","1.1","293","2","293","2","","","","","","","","5","C 1 2/m 1","-C 2y","12","","","","- C12 H4 F6 Nd O8 -","- C12 H4 F6 Nd O8 -","- C48 H16 F24 Nd4 O32 -","4","0.5","","Han, Yongqiang; Yan, Pengfei; Sun, Jingwen; An, Guanghui; Yao, Xu; Li, Yuxin; Li, Guangming","Luminescence and white-light emitting luminescent sensor of tetrafluoroterephthalate-lanthanide metal-organic frameworks.","Dalton transactions (Cambridge, England : 2003)","2017","46","14","4642","4653","10.1039/c7dt00215g","","","0.71069","MoKα","","0.0293","0.0274","","","0.0639","0.0657","","","","","","1.057","","","","has coordinates","196450","2020-10-21","18:00:00",""
"7042423","30.579","0.008","14.553","0.003","28.172","0.008","90","","118.244","0.005","90","","11044","5","113","2","113.15","","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C118.5 H99 Cl Dy4 N13 O16 -","- C118.5 H99 Cl Dy4 N13 O16 -","- C474 H396 Cl4 Dy16 N52 O64 -","4","0.5","","Gao, Hong-Ling; Zhou, Xiao-Pu; Bi, Yan-Xia; Shen, Hai-Yun; Wang, Wen-Min; Wang, Ni-Ni; Chang, Yi-Xin; Zhang, Ru-Xia; Cui, Jian-Zhong","A Dy4 single-molecule magnet and its Gd(iii), Tb(iii), Ho(iii), and Er(iii) analogues encapsulated by an 8-hydroxyquinoline Schiff base derivative and β-diketonate coligand.","Dalton transactions (Cambridge, England : 2003)","2017","46","14","4669","4677","10.1039/c7dt00118e","","","0.71073","MoKα","","0.0528","0.0406","","","0.0909","0.0953","","","","","","1.171","","","","has coordinates,has disorder","196434","2020-10-21","18:00:00",""
"7042424","30.8","0.006","14.613","0.003","28.155","0.006","90","","118.39","0.03","90","","11148","5","113","2","113.15","","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C118.5 H99 Cl Gd4 N13 O16 -","- C118.5 H99 Cl Gd4 N13 O16 -","- C474 H396 Cl4 Gd16 N52 O64 -","4","0.5","","Gao, Hong-Ling; Zhou, Xiao-Pu; Bi, Yan-Xia; Shen, Hai-Yun; Wang, Wen-Min; Wang, Ni-Ni; Chang, Yi-Xin; Zhang, Ru-Xia; Cui, Jian-Zhong","A Dy4 single-molecule magnet and its Gd(iii), Tb(iii), Ho(iii), and Er(iii) analogues encapsulated by an 8-hydroxyquinoline Schiff base derivative and β-diketonate coligand.","Dalton transactions (Cambridge, England : 2003)","2017","46","14","4669","4677","10.1039/c7dt00118e","","","0.71073","MoKα","","0.1253","0.0711","","","0.1404","0.1726","","","","","","1.117","","","","has coordinates","196434","2020-10-21","18:00:00",""
"7042425","30.518","0.006","14.61","0.002","28.148","0.005","90","","118.193","0.003","90","","11061","3","113","2","113.15","","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C118.5 H99 Cl Ho4 N13 O16 -","- C118.5 H99 Cl Ho4 N13 O16 -","- C474 H396 Cl4 Ho16 N52 O64 -","4","0.5","","Gao, Hong-Ling; Zhou, Xiao-Pu; Bi, Yan-Xia; Shen, Hai-Yun; Wang, Wen-Min; Wang, Ni-Ni; Chang, Yi-Xin; Zhang, Ru-Xia; Cui, Jian-Zhong","A Dy4 single-molecule magnet and its Gd(iii), Tb(iii), Ho(iii), and Er(iii) analogues encapsulated by an 8-hydroxyquinoline Schiff base derivative and β-diketonate coligand.","Dalton transactions (Cambridge, England : 2003)","2017","46","14","4669","4677","10.1039/c7dt00118e","","","0.71073","MoKα","","0.0321","0.0288","","","0.0811","0.0827","","","","","","1.064","","","","has coordinates","196434","2020-10-21","18:00:00",""
"7042426","30.677","0.006","14.61","0.003","28.137","0.006","90","","118.34","0.03","90","","11099","5","113","2","113.15","","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C118.5 H99 Cl N13 O16 Tb4 -","- C118.5 H99 Cl N13 O16 Tb4 -","- C474 H396 Cl4 N52 O64 Tb16 -","4","0.5","","Gao, Hong-Ling; Zhou, Xiao-Pu; Bi, Yan-Xia; Shen, Hai-Yun; Wang, Wen-Min; Wang, Ni-Ni; Chang, Yi-Xin; Zhang, Ru-Xia; Cui, Jian-Zhong","A Dy4 single-molecule magnet and its Gd(iii), Tb(iii), Ho(iii), and Er(iii) analogues encapsulated by an 8-hydroxyquinoline Schiff base derivative and β-diketonate coligand.","Dalton transactions (Cambridge, England : 2003)","2017","46","14","4669","4677","10.1039/c7dt00118e","","","0.71073","MoKα","","0.1342","0.0703","","","0.1473","0.1885","","","","","","1.096","","","","has coordinates","196434","2020-10-21","18:00:00",""
"7042427","30.4688","0.0019","14.5825","0.0006","28.1141","0.0017","90","","118.165","0.011","90","","11012.3","1.5","113","2","113.15","","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C118.5 H99 Cl Er4 N13 O16 -","- C118.5 H99 Cl Er4 N13 O16 -","- C474 H396 Cl4 Er16 N52 O64 -","4","0.5","","Gao, Hong-Ling; Zhou, Xiao-Pu; Bi, Yan-Xia; Shen, Hai-Yun; Wang, Wen-Min; Wang, Ni-Ni; Chang, Yi-Xin; Zhang, Ru-Xia; Cui, Jian-Zhong","A Dy4 single-molecule magnet and its Gd(iii), Tb(iii), Ho(iii), and Er(iii) analogues encapsulated by an 8-hydroxyquinoline Schiff base derivative and β-diketonate coligand.","Dalton transactions (Cambridge, England : 2003)","2017","46","14","4669","4677","10.1039/c7dt00118e","","","0.71073","MoKα","","0.0406","0.0311","","","0.079","0.0849","","","","","","1.06","","","","has coordinates","196434","2020-10-21","18:00:00",""
"7042428","9.3086","0.0004","21.1829","0.0008","21.456","0.0009","90","","90","","90","","4230.8","0.3","296","2","296","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C96 H78 N22 O10 Zn2 -","- C96 H78 N22 O10 Zn2 -","- C192 H156 N44 O20 Zn4 -","2","0.5","","Shi, Zhenzhen; Qin, Ling; Zheng, Hegen","A second-order nonlinear optical material with a 5-fold interpenetrating diamondoid framework based on two achiral precursors: spontaneous resolution to absolute chiral induction.","Dalton transactions (Cambridge, England : 2003)","2017","46","14","4589","4594","10.1039/c7dt00614d","","","0.71073","MoKα","","0.0609","0.0482","","","0.1056","0.1101","","","","","","1.05","","","","has coordinates","196438","2020-10-21","18:00:00",""
"7042429","9.3272","0.001","21.377","0.002","21.377","","90","","90","","90","","4262.3","0.6","296","2","296","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C96 H78 N22 O10 Zn2 -","- C96 H78 N22 O10 Zn2 -","- C192 H156 N44 O20 Zn4 -","2","0.5","","Shi, Zhenzhen; Qin, Ling; Zheng, Hegen","A second-order nonlinear optical material with a 5-fold interpenetrating diamondoid framework based on two achiral precursors: spontaneous resolution to absolute chiral induction.","Dalton transactions (Cambridge, England : 2003)","2017","46","14","4589","4594","10.1039/c7dt00614d","","","0.71073","MoKα","","0.0496","0.0414","","","0.0949","0.0985","","","","","","1.035","","","","has coordinates","196438","2020-10-21","18:00:00",""
"7042430","11.4773","0.001","12.5497","0.0009","14.462","0.0009","104.578","0.006","108.957","0.007","91.628","0.007","1892.8","0.3","293","2","293","2","","","","","","","","7","P -1","-P 1","2","","","","- C28 H32 Cu2 N10 Na0 O7 S5 -","- C28 H30 Cu2 N10 O7 S5 -","- C56 H60 Cu4 N20 O14 S10 -","2","1","","Bansal, Deepak; Gupta, Rajeev","Hydroxide-bridged dicopper complexes: the influence of secondary coordination sphere on structure and catecholase activity.","Dalton transactions (Cambridge, England : 2003)","2017","46","14","4617","4627","10.1039/c6dt04858g","","","0.71073","MoKα","","0.0745","0.0591","","","0.1737","0.1866","","","","","","1.058","","","","has coordinates,has disorder","196442","2020-10-21","18:00:00",""
"7042431","13.3647","0.0008","13.9486","0.0007","28.7657","0.0016","90","","101.93","0.005","90","","5246.6","0.5","293","2","293","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C50 H51 Cu2 N16 Na O10 S -","- C50 H49 Cu2 N16 Na O10 S -","- C200 H196 Cu8 N64 Na4 O40 S4 -","4","1","","Bansal, Deepak; Gupta, Rajeev","Hydroxide-bridged dicopper complexes: the influence of secondary coordination sphere on structure and catecholase activity.","Dalton transactions (Cambridge, England : 2003)","2017","46","14","4617","4627","10.1039/c6dt04858g","","","0.71073","MoKα","","0.1305","0.0853","","","0.1988","0.2244","","","","","","1.04","","","","has coordinates,has disorder","196442","2020-10-21","18:00:00",""
"7042432","11.7066","0.0007","12.6984","0.001","13.6077","0.001","71.836","0.007","85.232","0.005","81.455","0.006","1899.3","0.2","293","2","293","2","","","","","","","","7","P -1","-P 1","2","","","","- C30 H27 Cu2 N10 Na O7 S6 -","- C30 H27 Cu2 N10 Na O7 S6 -","- C60 H54 Cu4 N20 Na2 O14 S12 -","2","1","","Bansal, Deepak; Gupta, Rajeev","Hydroxide-bridged dicopper complexes: the influence of secondary coordination sphere on structure and catecholase activity.","Dalton transactions (Cambridge, England : 2003)","2017","46","14","4617","4627","10.1039/c6dt04858g","","","0.71073","MoKα","","0.048","0.0409","","","0.102","0.1071","","","","","","1.034","","","","has coordinates,has disorder","196442","2020-10-21","18:00:00",""
"7042433","25.553","0.005","13.374","0.005","28.901","0.004","90","","109.122","0.013","90","","9332","4","293","2","293","2","","","","","","","","7","C 1 2/c 1","-C 2yc","15","","","","- C94 H82 Cu4 N18 Na2 O17 S4 -","- C94 H82 Cu4 N18 Na2 O17 S4 -","- C376 H328 Cu16 N72 Na8 O68 S16 -","4","0.5","","Bansal, Deepak; Gupta, Rajeev","Hydroxide-bridged dicopper complexes: the influence of secondary coordination sphere on structure and catecholase activity.","Dalton transactions (Cambridge, England : 2003)","2017","46","14","4617","4627","10.1039/c6dt04858g","","","0.71073","MoKα","","0.1826","0.112","","","0.2472","0.3106","","","","","","1.011","","","","has coordinates","196442","2020-10-21","18:00:00",""
"7042434","11.8275","0.0007","13.7942","0.0007","37.139","0.002","90","","91.374","0.005","90","","6057.5","0.6","293","2","293","2","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C52 H49 Cu2 N12 Na O9 S6 -","- C52 H49 Cu2 N12 Na O9 S6 -","- C208 H196 Cu8 N48 Na4 O36 S24 -","4","1","","Bansal, Deepak; Gupta, Rajeev","Hydroxide-bridged dicopper complexes: the influence of secondary coordination sphere on structure and catecholase activity.","Dalton transactions (Cambridge, England : 2003)","2017","46","14","4617","4627","10.1039/c6dt04858g","","","0.71073","MoKα","","0.0893","0.0724","","","0.1764","0.1872","","","","","","1.132","","","","has coordinates,has disorder","196442","2020-10-21","18:00:00",""
"7042435","6.7256","0.0004","7.9186","0.0005","8.2724","0.0005","84.028","0.002","84.044","0.001","84.459","0.001","434.17","0.05","150","2","150","2","","","","","","","","5","P -1","-P 1","2","","","","- C12 H32 Cl2 Mg N4 -","- C12 H32 Cl2 Mg N4 -","- C12 H32 Cl2 Mg N4 -","1","0.5","","Nissinen, V. H.; Koshevoy, I. O.; Pakkanen, T. T.","Crystalline magnesium chloride-electron donor complexes: new support materials for Ziegler-Natta catalysts.","Dalton transactions (Cambridge, England : 2003)","2017","46","13","4452","4460","10.1039/c7dt00193b","","","0.71073","MoKα","","0.0249","0.0221","","","0.0587","0.0603","","","","","","1.056","","","","has coordinates","195074","2020-10-21","18:00:00",""
"7042436","9.2117","0.0004","13.5279","0.0004","13.0025","0.0004","90","","104.54","0.001","90","","1568.41","0.1","120","2","120","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C4 H10 Cl2 Mg O2 -","- C4 H10 Cl2 Mg O2 -","- C32 H80 Cl16 Mg8 O16 -","8","1","","Nissinen, V. H.; Koshevoy, I. O.; Pakkanen, T. T.","Crystalline magnesium chloride-electron donor complexes: new support materials for Ziegler-Natta catalysts.","Dalton transactions (Cambridge, England : 2003)","2017","46","13","4452","4460","10.1039/c7dt00193b","","","0.71073","MoKα","","0.0201","0.0179","","","0.0493","0.0504","","","","","","1.065","","","","has coordinates","195074","2020-10-21","18:00:00",""
"7042437","8.155","0.0003","17.8774","0.0008","14.0589","0.0006","90","","103.905","0.002","90","","1989.59","0.14","120","2","120","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C10 H26 Cl4 Mg2 O5 -","- C10 H26 Cl4 Mg2 O5 -","- C40 H104 Cl16 Mg8 O20 -","4","1","","Nissinen, V. H.; Koshevoy, I. O.; Pakkanen, T. T.","Crystalline magnesium chloride-electron donor complexes: new support materials for Ziegler-Natta catalysts.","Dalton transactions (Cambridge, England : 2003)","2017","46","13","4452","4460","10.1039/c7dt00193b","","","0.71073","MoKα","","0.0552","0.0346","","","0.0781","0.0871","","","","","","1.044","","","","has coordinates","195074","2020-10-21","18:00:00",""
"7042438","11.1532","0.0014","19.273","0.002","15.509","0.0019","90","","110.332","0.002","90","","3126","0.6","296","2","296","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C29 H46 Ni O2 P2 S -","- C29 H46 Ni O2 P2 S -","- C116 H184 Ni4 O8 P8 S4 -","4","1","","Liu, Ting; Meng, Wenjuan; Ma, Qiang-Qiang; Zhang, Jie; Li, Huizhen; Li, Shujun; Zhao, Qianyi; Chen, Xuenian","Hydroboration of CO2 catalyzed by bis(phosphinite) pincer ligated nickel thiolate complexes.","Dalton transactions (Cambridge, England : 2003)","2017","46","14","4504","4509","10.1039/c7dt00490g","","","0.71073","MoKα","","0.0569","0.038","","","0.0876","0.0968","","","","","","1.042","","","","has coordinates","196445","2020-10-21","18:00:00",""
"7042439","10.7701","0.0009","11.5716","0.0014","14.565","0.0016","72.803","0.01","79.684","0.008","62.913","0.01","1541.7","0.3","293","2","293","2","","","","","","","","6","P -1","-P 1","2","","","","- C30 H39 B Ni O6 P2 -","- C30 H39 B Ni O6 P2 -","- C60 H78 B2 Ni2 O12 P4 -","2","1","","Liu, Ting; Meng, Wenjuan; Ma, Qiang-Qiang; Zhang, Jie; Li, Huizhen; Li, Shujun; Zhao, Qianyi; Chen, Xuenian","Hydroboration of CO2 catalyzed by bis(phosphinite) pincer ligated nickel thiolate complexes.","Dalton transactions (Cambridge, England : 2003)","2017","46","14","4504","4509","10.1039/c7dt00490g","","","0.71073","MoKα","","0.0601","0.0443","","","0.0918","0.1007","","","","","","1.043","","","","has coordinates","196445","2020-10-21","18:00:00",""
"7042440","11.3208","0.0008","16.0967","0.0011","27.9299","0.0019","100.684","0.001","100.681","0.001","103.919","0.001","4711.3","0.6","100","2","100","2","","","","","","","","6","P -1","-P 1","2","","","","- C29 H46 Ni O3 P2 S -","- C29 H46 Ni O3 P2 S -","- C174 H276 Ni6 O18 P12 S6 -","6","3","","Liu, Ting; Meng, Wenjuan; Ma, Qiang-Qiang; Zhang, Jie; Li, Huizhen; Li, Shujun; Zhao, Qianyi; Chen, Xuenian","Hydroboration of CO2 catalyzed by bis(phosphinite) pincer ligated nickel thiolate complexes.","Dalton transactions (Cambridge, England : 2003)","2017","46","14","4504","4509","10.1039/c7dt00490g","","","0.71073","MoKα","","0.0655","0.0387","","","0.0991","0.1273","","","","","","1.074","","","","has coordinates","196445","2020-10-21","18:00:00",""
"7042441","8.5294","0.0003","11.3723","0.0004","16.2502","0.0005","77.6151","0.0019","80.615","0.002","73.477","0.002","1467.2","0.09","153","2","153","2","","","","","","","","6","P -1","-P 1","2","","","","- C28 H44 Ni O2 P2 S -","- C28 H44 Ni O2 P2 S -","- C56 H88 Ni2 O4 P4 S2 -","2","1","","Liu, Ting; Meng, Wenjuan; Ma, Qiang-Qiang; Zhang, Jie; Li, Huizhen; Li, Shujun; Zhao, Qianyi; Chen, Xuenian","Hydroboration of CO2 catalyzed by bis(phosphinite) pincer ligated nickel thiolate complexes.","Dalton transactions (Cambridge, England : 2003)","2017","46","14","4504","4509","10.1039/c7dt00490g","","","0.71073","MoKα","","0.0967","0.0468","","","0.0917","0.1092","","","","","","1.025","","","","has coordinates","196445","2020-10-21","18:00:00",""
"7042442","19.7537","0.0006","10.5331","0.0003","15.3748","0.0005","90","","112.305","0.0017","90","","2959.65","0.16","103","2","103","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C29 H46 Ni O2 P2 S -","- C29 H46 Ni O2 P2 S -","- C116 H184 Ni4 O8 P8 S4 -","4","1","","Liu, Ting; Meng, Wenjuan; Ma, Qiang-Qiang; Zhang, Jie; Li, Huizhen; Li, Shujun; Zhao, Qianyi; Chen, Xuenian","Hydroboration of CO2 catalyzed by bis(phosphinite) pincer ligated nickel thiolate complexes.","Dalton transactions (Cambridge, England : 2003)","2017","46","14","4504","4509","10.1039/c7dt00490g","","","0.71073","MoKα","","0.0676","0.0416","","","0.0895","0.0999","","","","","","1.019","","","","has coordinates","196445","2020-10-21","18:00:00",""
"7042443","11.1235","0.0011","15.9839","0.0015","18.1662","0.0017","90","","91.3393","0.0011","90","","3229","0.5","296","2","296","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C29 H43 F3 Ni O2 P2 S -","- C29 H43 F3 Ni O2 P2 S -","- C116 H172 F12 Ni4 O8 P8 S4 -","4","1","","Liu, Ting; Meng, Wenjuan; Ma, Qiang-Qiang; Zhang, Jie; Li, Huizhen; Li, Shujun; Zhao, Qianyi; Chen, Xuenian","Hydroboration of CO2 catalyzed by bis(phosphinite) pincer ligated nickel thiolate complexes.","Dalton transactions (Cambridge, England : 2003)","2017","46","14","4504","4509","10.1039/c7dt00490g","","","0.71073","MoKα","","0.0633","0.0447","","","0.1179","0.1345","","","","","","1.041","","","","has coordinates","196445","2020-10-21","18:00:00",""
"7042444","12.4676","0.0007","12.7321","0.0007","16.5948","0.0009","97.829","0.002","91.1728","0.0019","91.62","0.002","2607.9","0.2","103","2","103","2","","","","","","","","6","P -1","-P 1","2","","","","- C25 H38 Ni O2 P2 S -","- C25 H38 Ni O2 P2 S -","- C100 H152 Ni4 O8 P8 S4 -","4","2","","Liu, Ting; Meng, Wenjuan; Ma, Qiang-Qiang; Zhang, Jie; Li, Huizhen; Li, Shujun; Zhao, Qianyi; Chen, Xuenian","Hydroboration of CO2 catalyzed by bis(phosphinite) pincer ligated nickel thiolate complexes.","Dalton transactions (Cambridge, England : 2003)","2017","46","14","4504","4509","10.1039/c7dt00490g","","","0.71073","MoKα","","0.1055","0.0501","","","0.0947","0.1161","","","","","","1.005","","","","has coordinates,has disorder","196445","2020-10-21","18:00:00",""
"7042445","15.6724","0.0009","9.7264","0.0005","21.0842","0.0012","90","","92.694","0.001","90","","3210.4","0.3","100","2","100","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","tetrakis(1-Hydroxy-6-(methylamino)carbonyl-1H-pyridin-2-onate)-zirconium tetrahydrate","","- C28 H36 N8 O16 Zr -","- C28 H36 N8 O16 Zr -","- C112 H144 N32 O64 Zr4 -","4","0.5","","Guérard, F; Beyler, M.; Lee, Y.-S.; Tripier, R.; Gestin, J.-F.; Brechbiel, M. W.","Investigation of the complexation of (nat)Zr(iv) and (89)Zr(iv) by hydroxypyridinones for the development of chelators for PET imaging applications.","Dalton transactions (Cambridge, England : 2003)","2017","46","14","4749","4758","10.1039/c6dt04625h","","","0.71073","MoKα","","0.0467","0.0364","","","0.0883","0.0946","","","","","","1.057","","","","has coordinates","196446","2020-10-21","18:00:00",""
"7042446","8.7979","0.0011","14.9292","0.0018","17.718","0.0019","106.292","0.006","93.813","0.006","103.366","0.006","2151.6","0.5","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","tetrakis(3-Hydroxy-1-[3-(methylamino)-3-oxopropyl]-1H-pyridin-2-onate)-zirconium pentahydrate","","- C36 H54 N8 O17 Zr -","- C36 H54 N8 O17 Zr -","- C72 H108 N16 O34 Zr2 -","2","1","","Guérard, F; Beyler, M.; Lee, Y.-S.; Tripier, R.; Gestin, J.-F.; Brechbiel, M. W.","Investigation of the complexation of (nat)Zr(iv) and (89)Zr(iv) by hydroxypyridinones for the development of chelators for PET imaging applications.","Dalton transactions (Cambridge, England : 2003)","2017","46","14","4749","4758","10.1039/c6dt04625h","","","0.71073","MoKα","","0.0697","0.0435","","","0.0917","0.1037","","","","","","1.022","","","","has coordinates","196446","2020-10-21","18:00:00",""
"7042447","7.4157","0.0002","7.7513","0.0002","15.5667","0.0005","80.452","0.002","85.284","0.002","79.065","0.002","865.19","0.04","296","2","296","2","","","","","","","","4","P -1","-P 1","2","","","","- Li2 O40 P12 Pb9 -","- Li2 O40 P12 Pb9 -","- Li2 O40 P12 Pb9 -","1","0.5","","Zhang, Xiangyu; Wu, Hongping; Liu, Qiong; Dong, Xiaoyu; Chen, Yunlei; Yang, Zhihua; Wen, Xiao-Dong; Pan, Shilie","Application of the dimensional reduction formalism to Pb9-xBax[Li2(P2O7)2(P4O13)2] (x = 0, 2, 6, 7): a series of phosphates with two types of isolated polyphosphate groups.","Dalton transactions (Cambridge, England : 2003)","2017","46","14","4678","4684","10.1039/c7dt00509a","","","0.71073","MoKα","","0.0508","0.0451","","","0.1071","0.11","","","","","","1.038","","","","has coordinates,has disorder","196437","2020-10-21","18:00:00",""
"7042448","7.5485","0.0002","7.8382","0.0002","15.829","0.0004","80.262","0.002","84.733","0.002","78.558","0.002","903.06","0.04","296","2","296","2","","","","","","","","5","P -1","-P 1","2","","","","- Ba7 Li2 O40 P12 Pb2 -","- Ba7 Li2 O40 P12 Pb2 -","- Ba7 Li2 O40 P12 Pb2 -","1","0.5","","Zhang, Xiangyu; Wu, Hongping; Liu, Qiong; Dong, Xiaoyu; Chen, Yunlei; Yang, Zhihua; Wen, Xiao-Dong; Pan, Shilie","Application of the dimensional reduction formalism to Pb9-xBax[Li2(P2O7)2(P4O13)2] (x = 0, 2, 6, 7): a series of phosphates with two types of isolated polyphosphate groups.","Dalton transactions (Cambridge, England : 2003)","2017","46","14","4678","4684","10.1039/c7dt00509a","","","0.71073","MoKα","","0.0392","0.0362","","","0.0998","0.1019","","","","","","1.055","","","","has coordinates","196437","2020-10-21","18:00:00",""
"7042449","7.4579","0.0011","7.8016","0.0013","15.632","0.003","80.366","0.01","85.329","0.008","78.983","0.007","879","0.3","296","2","296","2","","","","","","","","5","P -1","-P 1","2","","","","- Ba2 Li2 O40 P12 Pb7 -","- Ba2 Li2 O40 P12 Pb7 -","- Ba2 Li2 O40 P12 Pb7 -","1","0.5","","Zhang, Xiangyu; Wu, Hongping; Liu, Qiong; Dong, Xiaoyu; Chen, Yunlei; Yang, Zhihua; Wen, Xiao-Dong; Pan, Shilie","Application of the dimensional reduction formalism to Pb9-xBax[Li2(P2O7)2(P4O13)2] (x = 0, 2, 6, 7): a series of phosphates with two types of isolated polyphosphate groups.","Dalton transactions (Cambridge, England : 2003)","2017","46","14","4678","4684","10.1039/c7dt00509a","","","0.71073","MoKα","","0.0552","0.0479","","","0.1295","0.1344","","","","","","1.084","","","","has coordinates","196437","2020-10-21","18:00:00",""
"7042450","7.5293","0.0004","7.8246","0.0004","15.7265","0.0009","80.356","0.003","84.68","0.003","78.446","0.003","893.22","0.08","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- Ba6 Li2 O40 P12 Pb3 -","- Ba6 Li2 O40 P12 Pb3 -","- Ba6 Li2 O40 P12 Pb3 -","1","0.5","","Zhang, Xiangyu; Wu, Hongping; Liu, Qiong; Dong, Xiaoyu; Chen, Yunlei; Yang, Zhihua; Wen, Xiao-Dong; Pan, Shilie","Application of the dimensional reduction formalism to Pb9-xBax[Li2(P2O7)2(P4O13)2] (x = 0, 2, 6, 7): a series of phosphates with two types of isolated polyphosphate groups.","Dalton transactions (Cambridge, England : 2003)","2017","46","14","4678","4684","10.1039/c7dt00509a","","","0.71073","MoKα","","0.0495","0.0452","","","0.1195","0.1225","","","","","","1.076","","","","has coordinates","196437","2020-10-21","18:00:00",""
"7042451","8.4344","0.0004","22.0021","0.001","11.9816","0.0008","90","","97.361","0.002","90","","2205.2","0.2","110","2","110","2","","","","","","","","8","P 1 21/c 1","-P 2ybc","14","","","","- C16 H26 Cl Co N3 O5 Re S2 -","- C16 H26 Cl Co N3 O5 Re S2 -","- C64 H104 Cl4 Co4 N12 O20 Re4 S8 -","4","1","","Lunsford, Allen M.; Goldstein, Kristina F.; Cohan, Matthew A.; Denny, Jason A.; Bhuvanesh, Nattamai; Ding, Shengda; Hall, Michael B.; Darensbourg, Marcetta Y.","Comparisons of MN2S2vs. bipyridine as redox-active ligands to manganese and rhenium in (L-L)M'(CO)3Cl complexes.","Dalton transactions (Cambridge, England : 2003)","2017","46","16","5175","5182","10.1039/c7dt00600d","","","1.54178","CuKα","","0.0278","0.0255","","","0.0646","0.0698","","","","","","1.125","","","","has coordinates","196422","2020-10-21","18:00:00",""
"7042452","9.6908","0.0004","11.845","0.0005","12.8749","0.0006","105.095","0.002","108.09","0.002","93.778","0.002","1338.9","0.1","150","2","150","2","","","","","","","","9","P -1","-P 1","2","","","","- C14 H20 Br Cl6 Co Mn N3 O4 S2 -","- C14 H20 Br Cl6 Co Mn N3 O4 S2 -","- C28 H40 Br2 Cl12 Co2 Mn2 N6 O8 S4 -","2","1","","Lunsford, Allen M.; Goldstein, Kristina F.; Cohan, Matthew A.; Denny, Jason A.; Bhuvanesh, Nattamai; Ding, Shengda; Hall, Michael B.; Darensbourg, Marcetta Y.","Comparisons of MN2S2vs. bipyridine as redox-active ligands to manganese and rhenium in (L-L)M'(CO)3Cl complexes.","Dalton transactions (Cambridge, England : 2003)","2017","46","16","5175","5182","10.1039/c7dt00600d","","","0.71073","MoKα","","0.0414","0.0309","","","0.0715","0.0772","","","","","","1.008","","","","has coordinates","196422","2020-10-21","18:00:00",""
"7042453","12.2999","0.0004","12.3134","0.0004","10.9388","0.0006","90","","90","","90","","1656.72","0.12","110.15","","110.15","","","","","","","","","8","P n m a","-P 2ac 2n","62","","","","- C12 H18 Cl N2 Ni O3 Re S2 -","- C12 H18 Cl N2 Ni O3 Re S2 -","- C48 H72 Cl4 N8 Ni4 O12 Re4 S8 -","4","0.5","","Lunsford, Allen M.; Goldstein, Kristina F.; Cohan, Matthew A.; Denny, Jason A.; Bhuvanesh, Nattamai; Ding, Shengda; Hall, Michael B.; Darensbourg, Marcetta Y.","Comparisons of MN2S2vs. bipyridine as redox-active ligands to manganese and rhenium in (L-L)M'(CO)3Cl complexes.","Dalton transactions (Cambridge, England : 2003)","2017","46","16","5175","5182","10.1039/c7dt00600d","","","1.54178","CuKα","","0.0318","0.0305","","","0.074","0.0746","","","","","","1.102","","","","has coordinates,has disorder","196422","2020-10-21","18:00:00",""
"7042454","18.837","0.0008","10.3101","0.0004","9.3359","0.0004","90","","90","","90","","1813.14","0.13","110","","110","","","","","","","","","8","P n m a","-P 2ac 2n","62","","","","- C12 H18 Cl Fe N3 O4 Re S2 -","- C12 H18 Cl Fe N3 O4 Re S2 -","- C48 H72 Cl4 Fe4 N12 O16 Re4 S8 -","4","0.5","","Lunsford, Allen M.; Goldstein, Kristina F.; Cohan, Matthew A.; Denny, Jason A.; Bhuvanesh, Nattamai; Ding, Shengda; Hall, Michael B.; Darensbourg, Marcetta Y.","Comparisons of MN2S2vs. bipyridine as redox-active ligands to manganese and rhenium in (L-L)M'(CO)3Cl complexes.","Dalton transactions (Cambridge, England : 2003)","2017","46","16","5175","5182","10.1039/c7dt00600d","","","0.71073","MoKα","","0.0288","0.024","","","0.0546","0.0563","","","","","","1.123","","","","has coordinates","196422","2020-10-21","18:00:00",""
"7042455","12.4666","0.0008","12.2823","0.0007","10.8128","0.0006","90","","90","","90","","1655.64","0.17","150","2","150","2","","","","","","","","8","P n m a","-P 2ac 2n","62","","","","- C12 H18 Br Mn N2 Ni O3 S2 -","- C12 H18 Br Mn N2 Ni O3 S2 -","- C48 H72 Br4 Mn4 N8 Ni4 O12 S8 -","4","0.5","","Lunsford, Allen M.; Goldstein, Kristina F.; Cohan, Matthew A.; Denny, Jason A.; Bhuvanesh, Nattamai; Ding, Shengda; Hall, Michael B.; Darensbourg, Marcetta Y.","Comparisons of MN2S2vs. bipyridine as redox-active ligands to manganese and rhenium in (L-L)M'(CO)3Cl complexes.","Dalton transactions (Cambridge, England : 2003)","2017","46","16","5175","5182","10.1039/c7dt00600d","","","0.71073","MoKα","","0.0432","0.0319","","","0.0763","0.0814","","","","","","1.085","","","","has coordinates,has disorder","196422","2020-10-21","18:00:00",""
"7042456","7.5578","0.0012","14.564","0.002","32.747","0.005","90","","90.553","0.003","90","","3604.4","0.9","150","2","150","2","","","","","","","","8","P 1 21/n 1","-P 2yn","14","","","","- C12 H18 Br Co Mn N3 O4 S2 -","- C12 H18 Br Co Mn N3 O4 S2 -","- C96 H144 Br8 Co8 Mn8 N24 O32 S16 -","8","2","","Lunsford, Allen M.; Goldstein, Kristina F.; Cohan, Matthew A.; Denny, Jason A.; Bhuvanesh, Nattamai; Ding, Shengda; Hall, Michael B.; Darensbourg, Marcetta Y.","Comparisons of MN2S2vs. bipyridine as redox-active ligands to manganese and rhenium in (L-L)M'(CO)3Cl complexes.","Dalton transactions (Cambridge, England : 2003)","2017","46","16","5175","5182","10.1039/c7dt00600d","","","0.71073","MoKα","","0.0416","0.0332","","","0.0825","0.0892","","","","","","1.087","","","","has coordinates","203412","2020-10-21","18:00:00",""
"7042457","18.6248","0.0015","10.8713","0.0009","9.1657","0.0007","90","","90","","90","","1855.8","0.3","110.15","","110.15","","","","","","","","","8","P n m a","-P 2ac 2n","62","","","","- C12 H18 Br Fe Mn N3 O4 S2 -","- C12 H18 Br Fe Mn N3 O4 S2 -","- C48 H72 Br4 Fe4 Mn4 N12 O16 S8 -","4","0.5","","Lunsford, Allen M.; Goldstein, Kristina F.; Cohan, Matthew A.; Denny, Jason A.; Bhuvanesh, Nattamai; Ding, Shengda; Hall, Michael B.; Darensbourg, Marcetta Y.","Comparisons of MN2S2vs. bipyridine as redox-active ligands to manganese and rhenium in (L-L)M'(CO)3Cl complexes.","Dalton transactions (Cambridge, England : 2003)","2017","46","16","5175","5182","10.1039/c7dt00600d","","","1.54178","CuKα","","0.0484","0.0432","","","0.0897","0.0917","","","","","","1.172","","","","has coordinates","196422","2020-10-21","18:00:00",""
"7042458","9.632","0.004","9.632","0.004","12.464","0.005","90","","90","","90","","1156.4","0.8","293","2","293","2","","","","","","","","5","P 4 21 2","P 4ab 2ab","90","","","","- Cl2 Cu5 O24 P4 Sr2 -","- Cl2 Cu5 O24 P4 Sr2 -","- Cl4 Cu10 O48 P8 Sr4 -","2","0.25","","Qiu, Chaoqun; He, Zhangzhen; Cui, Meiyan; Tang, Yingying; Chen, Sihuai","Synthesis, structure, and magnetic properties of new layered phosphate halides Sr2Cu5(PO4)4X2·8H2O (X = Cl, Br) with a crown-like building unit.","Dalton transactions (Cambridge, England : 2003)","2017","46","13","4461","4466","10.1039/c7dt00046d","","","0.71073","MoKα","","0.0304","0.0267","","","0.0594","0.0608","","","","","","1.041","","","","has coordinates","195077","2020-10-21","18:00:00",""
"7042459","9.6799","0.0006","9.6799","0.0006","12.5073","0.0009","90","","90","","90","","1171.94","0.13","293","2","293","2","","","","","","","","6","P 4/n m m","-P 4a 2a","129","","","","- Br2 Cu5 H16 O24 P4 Sr2 -","- Br2 Cu5 H16 O24 P4 Sr2 -","- Br4 Cu10 H32 O48 P8 Sr4 -","2","","","Qiu, Chaoqun; He, Zhangzhen; Cui, Meiyan; Tang, Yingying; Chen, Sihuai","Synthesis, structure, and magnetic properties of new layered phosphate halides Sr2Cu5(PO4)4X2·8H2O (X = Cl, Br) with a crown-like building unit.","Dalton transactions (Cambridge, England : 2003)","2017","46","13","4461","4466","10.1039/c7dt00046d","","","0.71073","MoKα","","0.0269","0.024","","","0.0517","0.0527","","","","","","1.004","","","","has coordinates","195077","2020-10-21","18:00:00",""
"7042460","47.25","0.003","10.7808","0.0006","15.9557","0.001","90","","107.47","0.002","90","","7752.8","0.8","124","2","124","2","","","","","","","","7","C 1 2/c 1","-C 2yc","15","","","","- C36 H46 Br2 N2 Ni O Zn -","- C36 H46 Br2 N2 Ni O Zn -","- C288 H368 Br16 N16 Ni8 O8 Zn8 -","8","1","","Chiu, Hsin-Chun; Koley, Arijit; Dunn, Peter L.; Hue, Ryan J.; Tonks, Ian A.","Ethylene polymerization catalyzed by bridging Ni/Zn heterobimetallics.","Dalton transactions (Cambridge, England : 2003)","2017","46","17","5513","5517","10.1039/c7dt00222j","","","0.71073","MoKα","","0.0463","0.0321","","","0.0803","0.0844","","","","","","1.066","","","","has coordinates,has disorder","196407","2020-10-21","18:00:00",""
"7042461","14.2254","0.0004","15.6563","0.0005","18.0121","0.0005","90","","111.534","0.001","90","","3731.59","0.19","123","2","123","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C39 H48 Br2 N2 Ni O -","- C39 H48 Br2 N2 Ni O -","- C156 H192 Br8 N8 Ni4 O4 -","4","1","","Chiu, Hsin-Chun; Koley, Arijit; Dunn, Peter L.; Hue, Ryan J.; Tonks, Ian A.","Ethylene polymerization catalyzed by bridging Ni/Zn heterobimetallics.","Dalton transactions (Cambridge, England : 2003)","2017","46","17","5513","5517","10.1039/c7dt00222j","","","0.71073","MoKα","","0.0786","0.0444","","","0.0844","0.094","","","","","","1.037","","","","has coordinates,has disorder","196407","2020-10-21","18:00:00",""
"7042462","8.6408","0.0005","26.1286","0.0012","8.6899","0.0005","90","","111.81","0.005","90","","1821.5","0.18","150","2","150","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C14 H34 B2 N2 Zr -","- C14 H34 B2 N2 Zr -","- C56 H136 B8 N8 Zr4 -","4","1","","Greño, Maider; Mena, Miguel; Pérez-Redondo, Adrián; Yélamos, Carlos","Isolable zirconium hydride species in the reaction of amido complexes with amine-boranes.","Dalton transactions (Cambridge, England : 2003)","2017","46","16","5138","5142","10.1039/c7dt00857k","","x-ray","0.71073","MoKα","","0.0903","0.0516","","","0.0937","0.1098","","","","","","1.092","","","","has coordinates","196430","2020-10-21","18:00:00",""
"7042463","11.414","0.0011","16.1308","0.0013","21.261","0.002","90","","90","","90","","3914.5","0.6","150","2","150","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C36 H68 B N3 Zr3 -","- C36 H68 B N3 Zr3 -","- C144 H272 B4 N12 Zr12 -","4","1","","Greño, Maider; Mena, Miguel; Pérez-Redondo, Adrián; Yélamos, Carlos","Isolable zirconium hydride species in the reaction of amido complexes with amine-boranes.","Dalton transactions (Cambridge, England : 2003)","2017","46","16","5138","5142","10.1039/c7dt00857k","","x-ray","0.71073","MoKα","","0.0856","0.052","","","0.0791","0.0902","","","","","","1.121","","","","has coordinates","196430","2020-10-21","18:00:00",""
"7042464","16.301","0.016","20.61","0.004","48.31","0.04","90","","90","","90","","16230","2","150","2","150","2","","","","","","","","6","F d d d :2","-F 2uv 2vw","70","","","","- C29 H59 B Cl6 N2 Zr2 -","- C29 H57 B Cl6 N2 Zr2 -","- C464 H912 B16 Cl96 N32 Zr32 -","16","0.5","","Greño, Maider; Mena, Miguel; Pérez-Redondo, Adrián; Yélamos, Carlos","Isolable zirconium hydride species in the reaction of amido complexes with amine-boranes.","Dalton transactions (Cambridge, England : 2003)","2017","46","16","5138","5142","10.1039/c7dt00857k","","x-ray","0.71073","MoKα","","0.0705","0.0502","","","0.0945","0.104","","","","","","1.115","","","","has coordinates,has disorder","196430","2020-10-21","18:00:00",""
"7042465","6.5261","0.001","12.536","0.002","9.6629","0.0015","90","","104.722","0.0013","90","","764.6","0.2","298","2","298","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C6 H6 Co N2 O5 -","- C6 H6 Co N2 O5 -","- C24 H24 Co4 N8 O20 -","4","1","","Mao, Nannan; Zhang, Biquan; Yu, Fan; Chen, Xi; Zhuang, Gui-Lin; Wang, Zhenxing; Ouyang, Zhongwen; Zhang, Tianle; Li, Bao","Embedding 1D or 2D cobalt-carboxylate substrates in 3D coordination polymers exhibiting slow magnetic relaxation behaviors: crystal structures, high-field EPR, and magnetic studies.","Dalton transactions (Cambridge, England : 2003)","2017","46","14","4786","4795","10.1039/c7dt00168a","","","0.71","MoKα","","0.0312","0.0263","","","0.0677","0.0708","","","","","","1.019","","","","has coordinates","196453","2020-10-21","18:00:00",""
"7042466","21.35","0.016","8.581","0.007","20.54","0.016","90","","118.107","0.015","90","","3319","5","293","2","293","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C26 H26 Co3 N4 O20 -","- C26 H14 Co3 N4 O20 -","- C104 H56 Co12 N16 O80 -","4","0.5","","Mao, Nannan; Zhang, Biquan; Yu, Fan; Chen, Xi; Zhuang, Gui-Lin; Wang, Zhenxing; Ouyang, Zhongwen; Zhang, Tianle; Li, Bao","Embedding 1D or 2D cobalt-carboxylate substrates in 3D coordination polymers exhibiting slow magnetic relaxation behaviors: crystal structures, high-field EPR, and magnetic studies.","Dalton transactions (Cambridge, England : 2003)","2017","46","14","4786","4795","10.1039/c7dt00168a","","","0.71","MoKα","","0.1315","0.1006","","","0.2659","0.2863","","","","","","1.045","","","","has coordinates","196453","2020-10-21","18:00:00",""
"7042467","9.389","0.0002","18.2765","0.0007","19.0399","0.0007","98.603","0.001","103.088","0.002","96.53","0.002","3109.36","0.18","173","1","173","1","","","","","","","","7","P -1","-P 1","2","","","","- C42.67 H47.33 Cl1.33 N2 P2 Pt S2 -","- C42.6667 H47.3333 Cl1.33333 N2 P2 Pt S2 -","- C128 H142 Cl4 N6 P6 Pt3 S6 -","3","1.5","","Lara, Rebeca; Lalinde, Elena; Moreno, M. Teresa","Phosphorescent platinum(ii) alkynyls end-capped with benzothiazole units.","Dalton transactions (Cambridge, England : 2003)","2017","46","14","4628","4641","10.1039/c7dt00029d","","x-ray","0.71073","MoKα","","0.0545","0.04","","","0.0988","0.1064","","","","","","1.032","","","","has coordinates,has disorder","196454","2020-10-21","18:00:00",""
"7042468","9.4932","0.0002","17.5531","0.0004","19.1626","0.0004","82.26","0.001","80.974","0.001","86.431","0.001","3122.13","0.12","173","1","173","1","","","","","","","","6","P -1","-P 1","2","","","","- C64 H92 N6 O2 Pt S2 -","- C64 H92 N6 O2 Pt S2 -","- C128 H184 N12 O4 Pt2 S4 -","2","1","","Lara, Rebeca; Lalinde, Elena; Moreno, M. Teresa","Phosphorescent platinum(ii) alkynyls end-capped with benzothiazole units.","Dalton transactions (Cambridge, England : 2003)","2017","46","14","4628","4641","10.1039/c7dt00029d","","x-ray","0.71073","MoKα","","0.0308","0.0259","","","0.0588","0.0618","","","","","","1.03","","","","has coordinates,has disorder","196454","2020-10-21","18:00:00",""
"7042469","33.9838","0.0013","13.9225","0.0006","24.0406","0.0011","90","","129.356","0.001","90","","8795","0.7","150","2","150.15","","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C53 H37 Cl Ir N5 -","- C53 H37 Cl Ir N5 -","- C424 H296 Cl8 Ir8 N40 -","8","1","","Liu, Yuying; Zhang, Peipei; Fang, Xiaoqiang; Wu, Gongqing; Chen, Shuting; Zhang, Zhina; Chao, Hui; Tan, Wenying; Xu, Li","Near-infrared emitting iridium(iii) complexes for mitochondrial imaging in living cells.","Dalton transactions (Cambridge, England : 2003)","2017","46","14","4777","4785","10.1039/c7dt00255f","","","0.71073","MoKα","","0.0413","0.034","","","0.098","0.1013","","","","","","1.105","","","","has coordinates","196435","2020-10-21","18:00:00",""
"7042470","13.6766","0.0001","15.4391","0.0002","22.8288","0.0003","90","","104.528","0.001","90","","4666.27","0.09","123","0.1","123","0.1","","","","","","","","7","P 1 21/a 1","-P 2yab","14","","","","- C40 H53 Mo2 N O4 P2 S -","- C40 H53 Mo2 N O4 P2 S -","- C160 H212 Mo8 N4 O16 P8 S4 -","4","1","","Albuerne, Isabel G.; Alvarez, M. Angeles; García, M Esther; García-Vivó, Daniel; Ruiz, Miguel A.","Chemistry of CS2- and SCNPh-adducts of the pyramidal phosphinidene-bridged complex [Mo2Cp(μ-κ(1):κ(1),η(5)-PC5H4)(CO)2(η(6)-HMes*)(PMe3)].","Dalton transactions (Cambridge, England : 2003)","2017","46","11","3510","3525","10.1039/c7dt00132k","","x-ray","1.54184","CuKα","","0.0384","0.0314","","","0.0826","0.0874","","","","","","1.047","","","","has coordinates,has disorder","194245","2020-10-21","18:00:00",""
"7042471","9.5748","0.0002","14.8892","0.0003","22.5463","0.0004","97.971","0.002","98.855","0.002","97.007","0.002","3111.3","0.11","150.7","0.9","150.7","0.9","","","","","","","","8","P -1","-P 1","2","","","","- C60 H73 B Cl2 Mo2 O2 P2 S3 -","- C60 H73 B Cl2 Mo2 O2 P2 S3 -","- C120 H146 B2 Cl4 Mo4 O4 P4 S6 -","2","1","","Albuerne, Isabel G.; Alvarez, M. Angeles; García, M Esther; García-Vivó, Daniel; Ruiz, Miguel A.","Chemistry of CS2- and SCNPh-adducts of the pyramidal phosphinidene-bridged complex [Mo2Cp(μ-κ(1):κ(1),η(5)-PC5H4)(CO)2(η(6)-HMes*)(PMe3)].","Dalton transactions (Cambridge, England : 2003)","2017","46","11","3510","3525","10.1039/c7dt00132k","","x-ray","1.54184","CuKα","","0.044","0.0416","","","0.1203","0.1249","","","","","","1.023","","","","has coordinates","194245","2020-10-21","18:00:00",""
"7042472","14.4244","0.0002","16.8423","0.0003","16.8318","0.0003","90","","109.014","0.002","90","","3866.01","0.12","150.1","0.5","150.1","0.5","","","","","","","","10","P 1 21 1","P 2yb","4","","","","- C73 H67 B Cl F24 Mo2 N O2 P2 S -","- C73 H67 B Cl F24 Mo2 N O2 P2 S -","- C146 H134 B2 Cl2 F48 Mo4 N2 O4 P4 S2 -","2","1","","Albuerne, Isabel G.; Alvarez, M. Angeles; García, M Esther; García-Vivó, Daniel; Ruiz, Miguel A.","Chemistry of CS2- and SCNPh-adducts of the pyramidal phosphinidene-bridged complex [Mo2Cp(μ-κ(1):κ(1),η(5)-PC5H4)(CO)2(η(6)-HMes*)(PMe3)].","Dalton transactions (Cambridge, England : 2003)","2017","46","11","3510","3525","10.1039/c7dt00132k","","x-ray","1.54184","CuKα","","0.0627","0.0583","","","0.1547","0.1607","","","","","","1.045","","","","has coordinates,has disorder","194245","2020-10-21","18:00:00",""
"7042473","14.0227","0.0006","14.4107","0.0003","28.596","0.001","82.24","0.002","79.614","0.004","79.716","0.003","5560.9","0.3","152","4","152","4","","","","","","","dichloromethane/petroleum ether","8","P -1","-P 1","2","","","","- C100 H78 B2 F48 Mo2 O2 P2 S2 -","- C100 H78 B2 F48 Mo2 O2 P2 S2 -","- C200 H156 B4 F96 Mo4 O4 P4 S4 -","2","1","","Albuerne, Isabel G.; Alvarez, M. Angeles; García, M Esther; García-Vivó, Daniel; Ruiz, Miguel A.","Chemistry of CS2- and SCNPh-adducts of the pyramidal phosphinidene-bridged complex [Mo2Cp(μ-κ(1):κ(1),η(5)-PC5H4)(CO)2(η(6)-HMes*)(PMe3)].","Dalton transactions (Cambridge, England : 2003)","2017","46","11","3510","3525","10.1039/c7dt00132k","","x-ray","1.54184","CuKα","","0.1184","0.0849","","","0.2389","0.2797","","","","","","1.019","","","","has coordinates,has disorder","194245","2020-10-21","18:00:00",""
"7042474","9.7425","0.0004","15.702","0.0006","18.4172","0.0006","86.02","0.003","76.784","0.003","89.573","0.003","2736.07","0.18","155","6","155","6","","","","","","","","7","P -1","-P 1","2","","","","- C59 H71 B Mo2 O2 P2 S2 -","- C59 H71 B Mo2 O2 P2 S2 -","- C118 H142 B2 Mo4 O4 P4 S4 -","2","1","","Albuerne, Isabel G.; Alvarez, M. Angeles; García, M Esther; García-Vivó, Daniel; Ruiz, Miguel A.","Chemistry of CS2- and SCNPh-adducts of the pyramidal phosphinidene-bridged complex [Mo2Cp(μ-κ(1):κ(1),η(5)-PC5H4)(CO)2(η(6)-HMes*)(PMe3)].","Dalton transactions (Cambridge, England : 2003)","2017","46","11","3510","3525","10.1039/c7dt00132k","","x-ray","1.54184","CuKα","","0.044","0.0373","","","0.0944","0.1","","","","","","1.014","","","","has coordinates","288182","2023-12-08","13:20:12",""
"7042475","17.5929","0.0002","14.3266","0.0001","18.1379","0.0002","90","","97.397","0.001","90","","4533.55","0.08","123","0.3","123","0.3","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C37 H55 Mo2 O2 P2 S2 -","- C37 H55 Mo2 O2 P2 S2 -","- C148 H220 Mo8 O8 P8 S8 -","4","1","","Albuerne, Isabel G.; Alvarez, M. Angeles; García, M Esther; García-Vivó, Daniel; Ruiz, Miguel A.","Chemistry of CS2- and SCNPh-adducts of the pyramidal phosphinidene-bridged complex [Mo2Cp(μ-κ(1):κ(1),η(5)-PC5H4)(CO)2(η(6)-HMes*)(PMe3)].","Dalton transactions (Cambridge, England : 2003)","2017","46","11","3510","3525","10.1039/c7dt00132k","","x-ray","1.54184","CuKα","","0.0458","0.0388","","","0.1053","0.1111","","","","","","1.057","","","","has coordinates,has disorder","288182","2023-12-08","13:20:12",""
"7042476","10.5972","0.0003","11.1817","0.0003","13.6846","0.0004","100.366","0.002","91.738","0.002","97.091","0.002","1580.59","0.08","150","2","150","2","","","","","","","","7","P -1","-P 1","2","","","","- C60 H56 Cl4 Dy2 N6 O20 Zn2 -","- C60 H56 Cl4 Dy2 N6 O20 Zn2 -","- C60 H56 Cl4 Dy2 N6 O20 Zn2 -","1","0.5","","Peng, Yan; Mereacre, Valeriu; Anson, Christopher E.; Powell, Annie K.","The role of coordinated solvent on Co(ii) ions in tuning the single molecule magnet properties in a {CoDy} system.","Dalton transactions (Cambridge, England : 2003)","2017","46","16","5337","5343","10.1039/c7dt00548b","","","0.71073","MoKα","","0.0297","0.0257","","","0.0535","0.0549","","","","","","1.054","","","","has coordinates","196432","2020-10-21","18:00:00",""
"7042477","12.2372","0.0009","24.2022","0.0018","11.0898","0.0008","90","","105.717","0.002","90","","3161.6","0.4","100","2","100","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C60 H56 Cl4 Co2 Dy2 N6 O20 -","- C60 H56 Cl4 Co2 Dy2 N6 O20 -","- C120 H112 Cl8 Co4 Dy4 N12 O40 -","2","0.5","","Peng, Yan; Mereacre, Valeriu; Anson, Christopher E.; Powell, Annie K.","The role of coordinated solvent on Co(ii) ions in tuning the single molecule magnet properties in a {CoDy} system.","Dalton transactions (Cambridge, England : 2003)","2017","46","16","5337","5343","10.1039/c7dt00548b","","","0.71073","MoKα","","0.0576","0.0533","","","0.1382","0.1424","","","","","","1.076","","","","has coordinates,has disorder","196432","2020-10-21","18:00:00",""
"7042478","13.9549","0.0008","14.4077","0.0007","17.3933","0.0009","90","","95.113","0.004","90","","3483.1","0.3","150","2","150","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C68 H70 Co2 Dy2 N8 O22 -","- C68 H70 Co2 Dy2 N8 O22 -","- C136 H140 Co4 Dy4 N16 O44 -","2","0.5","","Peng, Yan; Mereacre, Valeriu; Anson, Christopher E.; Powell, Annie K.","The role of coordinated solvent on Co(ii) ions in tuning the single molecule magnet properties in a {CoDy} system.","Dalton transactions (Cambridge, England : 2003)","2017","46","16","5337","5343","10.1039/c7dt00548b","","","0.71073","MoKα","","0.0358","0.0285","","","0.0687","0.0707","","","","","","0.994","","","","has coordinates","196432","2020-10-21","18:00:00",""
"7042479","13.0722","0.0006","7.8927","0.0004","25.4406","0.0012","90","","90","","90","","2624.8","0.2","180","2","180.15","","","","","","","","","5","P b c n","-P 2n 2ab","60","","","","- C11 H14 Br N S3 -","- C11 H14 Br N S3 -","- C88 H112 Br8 N8 S24 -","8","1","","Rasheed, O. K.; McDouall, J. J. W.; Muryn, C. A.; Raftery, J.; Vitorica-Yrezabal, I J; Quayle, P.","The assembly of ""S3N""-ligands decorated with an azo-dye as potential sensors for heavy metal ions.","Dalton transactions (Cambridge, England : 2003)","2017","46","16","5229","5239","10.1039/c7dt00569e","","","1.54178","CuKα","","0.0397","0.0378","","","0.0945","0.096","","","","","","1.062","","","","has coordinates","196415","2020-10-21","18:00:00",""
"7042480","5.5032","0.0002","13.7541","0.0005","16.2814","0.0005","66.95","0.002","85.649","0.002","82.232","0.002","1123.22","0.07","100","2","100.15","","","","","","","","","5","P -1","-P 1","2","","","","- C24 H25 N3 O S3 -","- C24 H25 N3 O S3 -","- C48 H50 N6 O2 S6 -","2","1","","Rasheed, O. K.; McDouall, J. J. W.; Muryn, C. A.; Raftery, J.; Vitorica-Yrezabal, I J; Quayle, P.","The assembly of ""S3N""-ligands decorated with an azo-dye as potential sensors for heavy metal ions.","Dalton transactions (Cambridge, England : 2003)","2017","46","16","5229","5239","10.1039/c7dt00569e","","","1.54178","CuKα","","0.0444","0.0394","","","0.1021","0.1073","","","","","","1.046","","","","has coordinates","196415","2020-10-21","18:00:00",""
"7042481","7.7435","0.0002","19.9374","0.0004","11.9344","0.0003","90","","100.865","0.001","90","","1809.47","0.07","100","2","100.15","","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C11 H16 Br Cu N3 O7 S3 -","- C11 H16 Br Cu N3 O7 S3 -","- C44 H64 Br4 Cu4 N12 O28 S12 -","4","1","","Rasheed, O. K.; McDouall, J. J. W.; Muryn, C. A.; Raftery, J.; Vitorica-Yrezabal, I J; Quayle, P.","The assembly of ""S3N""-ligands decorated with an azo-dye as potential sensors for heavy metal ions.","Dalton transactions (Cambridge, England : 2003)","2017","46","16","5229","5239","10.1039/c7dt00569e","","","1.54178","CuKα","","0.0443","0.0367","","","0.0935","0.0979","","","","","","1.047","","","","has coordinates","196415","2020-10-21","18:00:00",""
"7042482","17.1949","0.0011","8.5255","0.0005","15.9682","0.001","90","","91.274","0.006","90","","2340.3","0.3","150.01","0.1","150.15","","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C11 H14 Br Hg2 I4 N S3 -","- C11 H14 Br Hg2 I4 N S3 -","- C44 H56 Br4 Hg8 I16 N4 S12 -","4","1","","Rasheed, O. K.; McDouall, J. J. W.; Muryn, C. A.; Raftery, J.; Vitorica-Yrezabal, I J; Quayle, P.","The assembly of ""S3N""-ligands decorated with an azo-dye as potential sensors for heavy metal ions.","Dalton transactions (Cambridge, England : 2003)","2017","46","16","5229","5239","10.1039/c7dt00569e","","","0.71073","MoKα","","0.0484","0.0378","","","0.0624","0.0682","","","","","","1.003","","","","has coordinates","196415","2020-10-21","18:00:00",""
"7042483","8.86244","0.00015","15.5399","0.0003","13.2869","0.0002","90","","93.3355","0.0014","90","","1826.79","0.05","100","2","100.15","","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C11 H15 Cl4 Hg2 N S3 -","- C11 H15 Cl4 Hg2 N S3 -","- C44 H60 Cl16 Hg8 N4 S12 -","4","1","","Rasheed, O. K.; McDouall, J. J. W.; Muryn, C. A.; Raftery, J.; Vitorica-Yrezabal, I J; Quayle, P.","The assembly of ""S3N""-ligands decorated with an azo-dye as potential sensors for heavy metal ions.","Dalton transactions (Cambridge, England : 2003)","2017","46","16","5229","5239","10.1039/c7dt00569e","","","1.54184","CuKα","","0.0324","0.0292","","","0.0788","0.081","","","","","","1.127","","","","has coordinates","196415","2020-10-21","18:00:00",""
"7042484","26.2853","0.0004","8.5588","0.0002","15.9777","0.0002","90","","97.033","0.002","90","","3567.47","0.11","100","2","100.15","","","","","","","","","8","P 1 21/c 1","-P 2ybc","14","","","","- C25 H27 Cl2 Hg2 I4 N3 O S3 -","- C27 H30 Cl2 Hg2 I4 N2 S3 -","- C108 H120 Cl8 Hg8 I16 N8 S12 -","4","1","","Rasheed, O. K.; McDouall, J. J. W.; Muryn, C. A.; Raftery, J.; Vitorica-Yrezabal, I J; Quayle, P.","The assembly of ""S3N""-ligands decorated with an azo-dye as potential sensors for heavy metal ions.","Dalton transactions (Cambridge, England : 2003)","2017","46","16","5229","5239","10.1039/c7dt00569e","","","1.54178","CuKα","","0.0465","0.0415","","","0.1042","0.1072","","","","","","1.049","","","","has coordinates","196415","2020-10-21","18:00:00",""
"7042485","4.5402","0.0003","10.8201","0.0007","19.7081","0.0011","80.037","0.004","86.24","0.005","87.076","0.004","950.74","0.1","100","2","100.15","","","","","","","","","4","P -1","-P 1","2","","","","- C22 H19 N3 O5 -","- C22 H19 N3 O5 -","- C44 H38 N6 O10 -","2","1","","Rasheed, O. K.; McDouall, J. J. W.; Muryn, C. A.; Raftery, J.; Vitorica-Yrezabal, I J; Quayle, P.","The assembly of ""S3N""-ligands decorated with an azo-dye as potential sensors for heavy metal ions.","Dalton transactions (Cambridge, England : 2003)","2017","46","16","5229","5239","10.1039/c7dt00569e","","","1.54178","CuKα","","0.0677","0.0447","","","0.117","0.1285","","","","","","1.022","","","","has coordinates","196415","2020-10-21","18:00:00",""
"7042486","12.4214","0.0005","14.4786","0.0007","15.4651","0.0007","72.182","0.004","83.891","0.004","71.23","0.004","2507","0.2","173","2","173","2","","","","","","","","7","P -1","-P 1","2","","","","- C96 H98 Cl8 Mo4 N12 O13 S3 -","- C96 H98 Cl8 Mo4 N12 O13 S3 -","- C96 H98 Cl8 Mo4 N12 O13 S3 -","1","0.5","","Mallick, Suman; Cheng, Tao; Chen, Lu; Meng, Miao; Zhang, Yu Yu; Liu, Chun Y.","A study of asymmetrical mixed-valent Mo2-Mo2 complexes in the class III regime.","Dalton transactions (Cambridge, England : 2003)","2017","46","17","5711","5723","10.1039/c6dt04915j","","","1.54184","CuKα","","0.0937","0.0819","","","0.2131","0.2324","","","","","","1.067","","","","has coordinates,has disorder","196394","2020-10-21","18:00:00",""
"7042487","12.4057","0.0006","14.47","0.0006","15.4898","0.0007","72.209","0.004","83.612","0.004","71.215","0.004","2506.3","0.2","173","2","173","2","","","","","","","","7","P -1","-P 1","2","","","","- C96 H98 Cl8 Mo4 N12 O14 S2 -","- C96 H98 Cl8 Mo4 N12 O14 S2 -","- C96 H98 Cl8 Mo4 N12 O14 S2 -","1","0.5","","Mallick, Suman; Cheng, Tao; Chen, Lu; Meng, Miao; Zhang, Yu Yu; Liu, Chun Y.","A study of asymmetrical mixed-valent Mo2-Mo2 complexes in the class III regime.","Dalton transactions (Cambridge, England : 2003)","2017","46","17","5711","5723","10.1039/c6dt04915j","","","1.54178","CuKα","","0.0578","0.052","","","0.138","0.1458","","","","","","1.054","","","","has coordinates,has disorder","196394","2020-10-21","18:00:00",""
"7042488","8.7837","0.0011","10.6465","0.0013","18.771","0.002","89.854","0.002","86.654","0.002","73.432","0.002","1679.5","0.3","296","2","296","2","","","","","","","","6","P -1","-P 1","2","","","","- C37 H40 Cl N3 O Pd -","- C37 H40 Cl N3 O Pd -","- C74 H80 Cl2 N6 O2 Pd2 -","2","1","","Yang, Jin","Synthesis of (NHC)Pd(salicylaldimine)Cl complexes through template-directed ortho-aromatic metaloxylation of NHC-palladacycles derived from arylimines.","Dalton transactions (Cambridge, England : 2003)","2017","46","15","5003","5007","10.1039/c7dt00007c","","","0.71073","MoKα","","0.028","0.0255","","","0.0686","0.0702","","","","","","1.036","","","","has coordinates","196463","2020-10-21","18:00:00",""
"7042489","11.632","0.007","12.701","0.007","16.24","0.01","84.326","0.011","69.13","0.009","81.438","0.01","2214","2","296","2","296","2","","","","","","","","6","P -1","-P 1","2","","","","- C46 H58 Cl N3 O Pd -","- C46 H58 Cl N3 O Pd -","- C92 H116 Cl2 N6 O2 Pd2 -","2","1","","Yang, Jin","Synthesis of (NHC)Pd(salicylaldimine)Cl complexes through template-directed ortho-aromatic metaloxylation of NHC-palladacycles derived from arylimines.","Dalton transactions (Cambridge, England : 2003)","2017","46","15","5003","5007","10.1039/c7dt00007c","","","0.71073","MoKα","","0.117","0.0672","","","0.1492","0.1821","","","","","","1.026","","","","has coordinates","196463","2020-10-21","18:00:00",""
"7042490","13.43","0.002","15.494","0.003","21.236","0.003","90","","106.812","0.002","90","","4230","1.2","296","2","296","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C46 H58 Cl N3 Pd -","- C46 H58 Cl N3 Pd -","- C184 H232 Cl4 N12 Pd4 -","4","1","","Yang, Jin","Synthesis of (NHC)Pd(salicylaldimine)Cl complexes through template-directed ortho-aromatic metaloxylation of NHC-palladacycles derived from arylimines.","Dalton transactions (Cambridge, England : 2003)","2017","46","15","5003","5007","10.1039/c7dt00007c","","","0.71073","MoKα","","0.036","0.0261","","","0.0636","0.0699","","","","","","1.034","","","","has coordinates","196463","2020-10-21","18:00:00",""
"7042491","25.435","0.006","15.222","0.003","21.271","0.005","90","","90.092","0.004","90","","8236","3","296","2","296","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C43 H52 Cl N3 O Pd -","- C43 H52 Cl N3 O Pd -","- C344 H416 Cl8 N24 O8 Pd8 -","8","2","","Yang, Jin","Synthesis of (NHC)Pd(salicylaldimine)Cl complexes through template-directed ortho-aromatic metaloxylation of NHC-palladacycles derived from arylimines.","Dalton transactions (Cambridge, England : 2003)","2017","46","15","5003","5007","10.1039/c7dt00007c","","","0.71073","MoKα","","0.046","0.0302","","","0.0734","0.0836","","","","","","1.015","","","","has coordinates","196463","2020-10-21","18:00:00",""
"7042492","43.759","0.013","43.759","0.013","10.79","0.003","90","","90","","120","","17893","9","296","2","296","2","","","","","","","","5","R -3 :H","-R 3","148","","","","- C43 H52 Cl N3 Pd -","- C43 H52 Cl N3 Pd -","- C774 H936 Cl18 N54 Pd18 -","18","1","","Yang, Jin","Synthesis of (NHC)Pd(salicylaldimine)Cl complexes through template-directed ortho-aromatic metaloxylation of NHC-palladacycles derived from arylimines.","Dalton transactions (Cambridge, England : 2003)","2017","46","15","5003","5007","10.1039/c7dt00007c","","","0.71073","MoKα","","0.0442","0.0316","","","0.0881","0.0988","","","","","","1.084","","","","has coordinates","196463","2020-10-21","18:00:00",""
"7042493","16.381","0.01","14.07","0.009","17.588","0.011","90","","93.854","0.011","90","","4045","4","296","2","296","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C40 H46 Cl N3 Pd -","- C40 H46 Cl N3 Pd -","- C160 H184 Cl4 N12 Pd4 -","4","1","","Yang, Jin","Synthesis of (NHC)Pd(salicylaldimine)Cl complexes through template-directed ortho-aromatic metaloxylation of NHC-palladacycles derived from arylimines.","Dalton transactions (Cambridge, England : 2003)","2017","46","15","5003","5007","10.1039/c7dt00007c","","","0.71073","MoKα","","0.0652","0.0539","","","0.1597","0.1755","","","","","","1.005","","","","has coordinates","196463","2020-10-21","18:00:00",""
"7042494","10.524","0.005","17","0.009","20.028","0.01","90","","103.973","0.007","90","","3477","3","296","2","296","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C37 H40 Cl N3 Pd -","- C37 H40 Cl N3 Pd -","- C148 H160 Cl4 N12 Pd4 -","4","1","","Yang, Jin","Synthesis of (NHC)Pd(salicylaldimine)Cl complexes through template-directed ortho-aromatic metaloxylation of NHC-palladacycles derived from arylimines.","Dalton transactions (Cambridge, England : 2003)","2017","46","15","5003","5007","10.1039/c7dt00007c","","","0.71073","MoKα","","0.0402","0.0308","","","0.073","0.0786","","","","","","1.023","","","","has coordinates","196463","2020-10-21","18:00:00",""
"7042495","18.812","0.002","20.016","0.003","20.045","0.003","90","","90","","90","","7547.8","1.8","296","2","296","2","","","","","","","","6","P b c a","-P 2ac 2ab","61","","","","- C40 H46 Cl N3 O Pd -","- C40 H46 Cl N3 O Pd -","- C320 H368 Cl8 N24 O8 Pd8 -","8","1","","Yang, Jin","Synthesis of (NHC)Pd(salicylaldimine)Cl complexes through template-directed ortho-aromatic metaloxylation of NHC-palladacycles derived from arylimines.","Dalton transactions (Cambridge, England : 2003)","2017","46","15","5003","5007","10.1039/c7dt00007c","","","0.71073","MoKα","","0.0501","0.0339","","","0.0829","0.0975","","","","","","1.032","","","","has coordinates","196463","2020-10-21","18:00:00",""
"7042496","44.097","0.007","5.1503","0.0007","14.964","0.002","90","","98.192","0.005","90","","3363.8","0.8","293","","293","","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C26 H20 N2 S14 Zn -","- C26 H20 N2 S14 Zn -","- C104 H80 N8 S56 Zn4 -","4","0.5","","Okuno, Ryota; Yamaguchi, Minayo; Fujiwara, Hideki","A novel symmetric TTF-pyridyl thiolato zinc complex: synthesis, characterization and crystal structure analysis.","Dalton transactions (Cambridge, England : 2003)","2017","46","15","4912","4916","10.1039/c7dt00468k","","","0.71075","MoKα","","","0.0412","","","","0.0366","","","","","","1.109","","","","has coordinates","196458","2020-10-21","18:00:00",""
"7042497","5.3034","0.0005","7.0632","0.0006","8.5675","0.0007","66.821","0.008","86.667","0.007","70.964","0.008","277.98","0.05","173","2","173","","","","","","","","","4","P -1","-P 1","2","rubidium 1,1-dinitramino-5,5-bitetrazolate","rubidium 1,1-dinitramino-5,5-bitetrazolate","","- C2 N12 O4 Rb2 -","- C2 N12 O4 Rb2 -","- C2 N12 O4 Rb2 -","1","0.5","","Szimhardt, Norbert; Bölter, Marc F; Born, Maximilian; Klapötke, Thomas M; Stierstorfer, Jörg","Metal salts and complexes of 1,1'-dinitramino-5,5'-bitetrazole.","Dalton transactions (Cambridge, England : 2003)","2017","46","15","5033","5040","10.1039/c7dt00536a","","","0.71073","MoKα","","0.0283","0.0242","","","0.0491","0.0509","","","","","","1.045","","","","has coordinates","196459","2020-10-21","18:00:00",""
"7042498","8.8347","0.0005","9.4711","0.0005","7.2402","0.0004","90","","105.804","0.005","90","","582.92","0.06","173","2","173","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","disodium 1,1-dinitramino-5,5-bitetrazolate dihydrate","disodium 1,1-dinitramino-5,5-bitetrazolate dihydrate","","- C2 H4 N12 Na2 O6 -","- C2 H4 N12 Na2 O6 -","- C4 H8 N24 Na4 O12 -","2","0.5","","Szimhardt, Norbert; Bölter, Marc F; Born, Maximilian; Klapötke, Thomas M; Stierstorfer, Jörg","Metal salts and complexes of 1,1'-dinitramino-5,5'-bitetrazole.","Dalton transactions (Cambridge, England : 2003)","2017","46","15","5033","5040","10.1039/c7dt00536a","","x-ray","0.71073","MoKα","","0.0392","0.0305","","","0.0758","0.0812","","","","","","1.105","","","","has coordinates","196459","2020-10-21","18:00:00",""
"7042499","6.2136","0.0003","10.9858","0.0006","16.9609","0.0008","90","","90","","90","","1157.77","0.1","123","2","123","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","disodium 1,1-dinitramino-5,5-bitetrazolate dihydrate","disodium 1,1-dinitramino-5,5-bitetrazolate dihydrate","","- C2 H4 N12 Na2 O6 -","- C2 H4 N12 Na2 O6 -","- C8 H16 N48 Na8 O24 -","4","0.5","","Szimhardt, Norbert; Bölter, Marc F; Born, Maximilian; Klapötke, Thomas M; Stierstorfer, Jörg","Metal salts and complexes of 1,1'-dinitramino-5,5'-bitetrazole.","Dalton transactions (Cambridge, England : 2003)","2017","46","15","5033","5040","10.1039/c7dt00536a","","x-ray","0.71069","MoKα","","0.03","0.0277","","","0.0776","0.0791","","","","","","1.091","","","","has coordinates","196459","2020-10-21","18:00:00",""
"7042500","10.7948","0.0003","15.0619","0.0004","9.3539","0.0002","90","","110.333","0.001","90","","1426.09","0.06","100","2","100","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","strontium 1,1-dinitramino-bitetrazolate tetrahydrate","strontium 1,1-dinitramino-bitetrazolate tetrahydrate","","- C2 H8 N12 O8 Sr -","- C2 H8 N12 O8 Sr -","- C8 H32 N48 O32 Sr4 -","4","1","","Szimhardt, Norbert; Bölter, Marc F; Born, Maximilian; Klapötke, Thomas M; Stierstorfer, Jörg","Metal salts and complexes of 1,1'-dinitramino-5,5'-bitetrazole.","Dalton transactions (Cambridge, England : 2003)","2017","46","15","5033","5040","10.1039/c7dt00536a","","","0.71073","MoKα","","0.0255","0.0202","","","0.0482","0.0501","","","","","","1.074","","","","has coordinates","196459","2020-10-21","18:00:00",""
"7042501","10.2414","0.0003","10.6483","0.0003","13.1297","0.0004","90","","94.149","0.003","90","","1428.09","0.07","173","2","173","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","tetrammine zinc(II) 1,1-dinitramino-5,5-bitetrazolate","tetrammine zinc(II) 1,1-dinitramino-5,5-bitetrazolate","","- C2 H12 N16 O4 Zn -","- C2 H12 N16 O4 Zn -","- C8 H48 N64 O16 Zn4 -","4","1","","Szimhardt, Norbert; Bölter, Marc F; Born, Maximilian; Klapötke, Thomas M; Stierstorfer, Jörg","Metal salts and complexes of 1,1'-dinitramino-5,5'-bitetrazole.","Dalton transactions (Cambridge, England : 2003)","2017","46","15","5033","5040","10.1039/c7dt00536a","","x-ray","0.71073","MoKα","","0.0353","0.0257","","","0.062","0.0675","","","","","","1.032","","","","has coordinates","196459","2020-10-21","18:00:00",""
"7042502","5.5885","0.0002","12.4847","0.0004","8.7893","0.0003","90","","92.25","0.003","90","","612.76","0.04","173","2","173","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","dicesium 1,1-dinitramino-5,5-bitetrazolate","dicesium 1,1-dinitramino-5,5-bitetrazolate","","- C2 Cs2 N12 O4 -","- C2 Cs2 N12 O4 -","- C4 Cs4 N24 O8 -","2","0.5","","Szimhardt, Norbert; Bölter, Marc F; Born, Maximilian; Klapötke, Thomas M; Stierstorfer, Jörg","Metal salts and complexes of 1,1'-dinitramino-5,5'-bitetrazole.","Dalton transactions (Cambridge, England : 2003)","2017","46","15","5033","5040","10.1039/c7dt00536a","","","0.71073","MoKα","","0.0216","0.0172","","","0.037","0.0386","","","","","","1.077","","","","has coordinates","196459","2020-10-21","18:00:00",""
"7042503","11.4131","0.0005","7.4648","0.0003","17.2079","0.0008","90","","98.739","0.005","90","","1449.03","0.11","173","2","173","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","tetraammino copper(II) dinitraminobitetrazolate monohydrate","tetraammino copper(II) dinitraminobitetrazolate monohydrate","","- C2 H14 Cu N16 O5 -","- C2 H14 Cu N16 O5 -","- C8 H56 Cu4 N64 O20 -","4","0.5","","Szimhardt, Norbert; Bölter, Marc F; Born, Maximilian; Klapötke, Thomas M; Stierstorfer, Jörg","Metal salts and complexes of 1,1'-dinitramino-5,5'-bitetrazole.","Dalton transactions (Cambridge, England : 2003)","2017","46","15","5033","5040","10.1039/c7dt00536a","","x-ray","0.71073","MoKα","","0.0386","0.03","","","0.065","0.0695","","","","","","1.078","","","","has coordinates","196459","2020-10-21","18:00:00",""
"7042504","8.9593","0.0003","9.5952","0.0003","17.9981","0.0006","90","","92.798","0.001","90","","1545.39","0.09","173","2","173","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","barium 1,1-dinitramino-5,5-bitetrazolate hexahydrate","barium 1,1-dinitramino-5,5-bitetrazolate hexahydrate","","- C2 H12 Ba N12 O10 -","- C2 H12 Ba N12 O10 -","- C8 H48 Ba4 N48 O40 -","4","1","","Szimhardt, Norbert; Bölter, Marc F; Born, Maximilian; Klapötke, Thomas M; Stierstorfer, Jörg","Metal salts and complexes of 1,1'-dinitramino-5,5'-bitetrazole.","Dalton transactions (Cambridge, England : 2003)","2017","46","15","5033","5040","10.1039/c7dt00536a","","","0.71073","MoKα","","0.0211","0.0162","","","0.0561","0.0868","","","","","","1.434","","","","has coordinates","196459","2020-10-21","18:00:00",""
"7042505","13.5062","0.0012","11.5426","0.0008","10.4455","0.0007","90","","95.176","0.007","90","","1621.8","0.2","173","2","173","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","hexaammine nickel(II) 1,1-dinitramino-5,5-bitetrazolate","hexaammine nickel(II) 1,1-dinitramino-5,5-bitetrazolate","","- C2 H18 N18 Ni O4 -","- C2 H18 N18 Ni O4 -","- C8 H72 N72 Ni4 O16 -","4","1","","Szimhardt, Norbert; Bölter, Marc F; Born, Maximilian; Klapötke, Thomas M; Stierstorfer, Jörg","Metal salts and complexes of 1,1'-dinitramino-5,5'-bitetrazole.","Dalton transactions (Cambridge, England : 2003)","2017","46","15","5033","5040","10.1039/c7dt00536a","","x-ray","0.71073","MoKα","","0.0894","0.0503","","","0.0811","0.0992","","","","","","0.974","","","","has coordinates","196459","2020-10-21","18:00:00",""
"7042506","4.1866","0.0007","7.2348","0.001","10.3368","0.0013","81.092","0.005","83.309","0.006","75.044","0.006","297.88","0.08","173","2","173","2","","","","","","","","4","P -1","-P 1","2","dimethyl 2,2-(1,2-diazidoethane-1,2-diylidene)bis(hydrazinecarboxylate)","dimethyl 2,2-(1,2-diazidoethane-1,2-diylidene)bis(hydrazinecarboxylate)","","- C6 H8 N10 O4 -","- C6 H8 N10 O4 -","- C6 H8 N10 O4 -","1","0.5","","Szimhardt, Norbert; Bölter, Marc F; Born, Maximilian; Klapötke, Thomas M; Stierstorfer, Jörg","Metal salts and complexes of 1,1'-dinitramino-5,5'-bitetrazole.","Dalton transactions (Cambridge, England : 2003)","2017","46","15","5033","5040","10.1039/c7dt00536a","","","0.71073","MoKα","","0.0671","0.0481","","","0.1108","0.1184","","","","","","1.078","","","","has coordinates","196459","2020-10-21","18:00:00",""
"7042507","8.276","0.0009","10.814","0.0008","6.065","0.0004","90","","106.073","0.01","90","","521.58","0.08","123","2","123","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","lithium dinitramino-5,5-bitetrazolate monohydrate","lithium dinitramino-5,5-bitetrazolate monohydrate","","- C H2 Li N6 O3 -","- C H2 Li N6 O3 -","- C4 H8 Li4 N24 O12 -","4","1","","Szimhardt, Norbert; Bölter, Marc F; Born, Maximilian; Klapötke, Thomas M; Stierstorfer, Jörg","Metal salts and complexes of 1,1'-dinitramino-5,5'-bitetrazole.","Dalton transactions (Cambridge, England : 2003)","2017","46","15","5033","5040","10.1039/c7dt00536a","","x-ray","0.71069","MoKα","","0.0473","0.0334","","","0.073","0.0805","","","","","","1.08","","","","has coordinates","196459","2020-10-21","18:00:00",""
"7042508","6.752","0.0004","5.0649","0.0004","14.1529","0.0009","90","","92.18","0.006","90","","483.65","0.06","173","2","173","2","","","","","","","","4","P 1 2/c 1","-P 2yc","13","disilver 1,1-dinitramino-5,5-bitetrazolate","disilver 1,1-dinitramino-5,5-bitetrazolate","","- C2 Ag2 N12 O4 -","- C2 Ag2 N12 O4 -","- C4 Ag4 N24 O8 -","2","0.5","","Szimhardt, Norbert; Bölter, Marc F; Born, Maximilian; Klapötke, Thomas M; Stierstorfer, Jörg","Metal salts and complexes of 1,1'-dinitramino-5,5'-bitetrazole.","Dalton transactions (Cambridge, England : 2003)","2017","46","15","5033","5040","10.1039/c7dt00536a","","x-ray","0.71073","MoKα","","0.0456","0.0333","","","0.071","0.0779","","","","","","1.053","","","","has coordinates","196459","2020-10-21","18:00:00",""
"7042509","7.7212","0.0004","16.2457","0.001","23.8774","0.0013","90","","90","","90","","2995.1","0.3","150","2","150","2","","","","","","","","7","P 21 21 21","P 2ac 2ab","19","","","","- C26 H35 Cd N3 Ni O8 S -","- C26 H35 Cd N3 Ni O8 S -","- C104 H140 Cd4 N12 Ni4 O32 S4 -","4","1","","Roy, Sourav; Drew, Michael G. B.; Bauzá, Antonio; Frontera, Antonio; Chattopadhyay, Shouvik","Estimation of conventional C-Hπ (arene), unconventional C-Hπ (chelate) and C-Hπ (thiocyanate) interactions in hetero-nuclear nickel(ii)-cadmium(ii) complexes with a compartmental Schiff base.","Dalton transactions (Cambridge, England : 2003)","2017","46","16","5384","5397","10.1039/c6dt04906k","","","0.71073","MoKα","","0.0693","0.0595","","","0.1097","0.113","","","","","","1.149","","","","has coordinates,has disorder","196418","2020-10-21","18:00:00",""
"7042510","13.4856","0.001","13.731","0.0012","15.402","0.0009","90","","90","","90","","2852","0.4","150","2","150","2","","","","","","","","8","P 21 21 21","P 2ac 2ab","19","","","","- C25 H34 Cd Cl N5 Ni O4 S -","- C25 H34 Cd Cl N5 Ni O4 S -","- C100 H136 Cd4 Cl4 N20 Ni4 O16 S4 -","4","1","","Roy, Sourav; Drew, Michael G. B.; Bauzá, Antonio; Frontera, Antonio; Chattopadhyay, Shouvik","Estimation of conventional C-Hπ (arene), unconventional C-Hπ (chelate) and C-Hπ (thiocyanate) interactions in hetero-nuclear nickel(ii)-cadmium(ii) complexes with a compartmental Schiff base.","Dalton transactions (Cambridge, England : 2003)","2017","46","16","5384","5397","10.1039/c6dt04906k","","","0.71073","MoKα","","0.0768","0.0695","","","0.1763","0.1829","","","","","","1.099","","","","has coordinates","196418","2020-10-21","18:00:00",""
"7042511","12.8958","0.0005","15.5589","0.0004","16.5707","0.0005","90","","90","","90","","3324.82","0.18","150","2","150","2","","","","","","","","8","P 21 21 21","P 2ac 2ab","19","","","","- C28 H38 Cd Cl N5 Ni O6 S -","- C28 H38 Cd Cl N5 Ni O6 S -","- C112 H152 Cd4 Cl4 N20 Ni4 O24 S4 -","4","1","","Roy, Sourav; Drew, Michael G. B.; Bauzá, Antonio; Frontera, Antonio; Chattopadhyay, Shouvik","Estimation of conventional C-Hπ (arene), unconventional C-Hπ (chelate) and C-Hπ (thiocyanate) interactions in hetero-nuclear nickel(ii)-cadmium(ii) complexes with a compartmental Schiff base.","Dalton transactions (Cambridge, England : 2003)","2017","46","16","5384","5397","10.1039/c6dt04906k","","","0.71073","MoKα","","0.045","0.0386","","","0.0788","0.0815","","","","","","1.054","","","","has coordinates","196418","2020-10-21","18:00:00",""
"7042512","11.5758","0.0006","14.1553","0.0007","18.2251","0.0009","90","","90","","90","","2986.3","0.3","293","2","293","2","","","","","","","","6","P b c a","-P 2ac 2ab","61","","","","- C14 H18 Cl N O3 Si -","- C14 H18 Cl N O3 Si -","- C112 H144 Cl8 N8 O24 Si8 -","8","1","","Sztorch, Bogna; Frąckowiak, Dawid; Pyziak, Jadwiga; Czapik, Agnieszka; Hoffmann, Marcin; Marciniec, Bogdan","Highly selective synthesis of substituted (E)-alkenylsilatranes via catalytic trans-silylation and mechanistic implications.","Dalton transactions (Cambridge, England : 2003)","2017","46","15","4975","4981","10.1039/c7dt00201g","","","0.71073","MoKα","","0.0645","0.0439","","","0.087","0.0953","","","","","","1.062","","","","has coordinates","196468","2020-10-21","18:00:00",""
"7042513","11.4618","0.0003","14.174","0.0004","18.5112","0.0005","90","","90","","90","","3007.32","0.14","293","2","293","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C15 H21 N O3 Si -","- C15 H21 N O3 Si -","- C120 H168 N8 O24 Si8 -","8","1","","Sztorch, Bogna; Frąckowiak, Dawid; Pyziak, Jadwiga; Czapik, Agnieszka; Hoffmann, Marcin; Marciniec, Bogdan","Highly selective synthesis of substituted (E)-alkenylsilatranes via catalytic trans-silylation and mechanistic implications.","Dalton transactions (Cambridge, England : 2003)","2017","46","15","4975","4981","10.1039/c7dt00201g","","","0.71073","MoKα","","0.0618","0.0416","","","0.0977","0.1087","","","","","","1.041","","","","has coordinates","196468","2020-10-21","18:00:00",""
"7042514","9.6141","0.0003","12.1035","0.0004","18.1419","0.0005","94.833","0.002","100.853","0.002","104.855","0.002","1984.39","0.11","293","2","293","2","","","","","","","","8","P -1","-P 1","2","","","","- C43 H42 Cl N O4 P2 Ru Si -","- C43 H42 Cl N O4 P2 Ru Si -","- C86 H84 Cl2 N2 O8 P4 Ru2 Si2 -","2","1","","Sztorch, Bogna; Frąckowiak, Dawid; Pyziak, Jadwiga; Czapik, Agnieszka; Hoffmann, Marcin; Marciniec, Bogdan","Highly selective synthesis of substituted (E)-alkenylsilatranes via catalytic trans-silylation and mechanistic implications.","Dalton transactions (Cambridge, England : 2003)","2017","46","15","4975","4981","10.1039/c7dt00201g","","","0.71073","MoKα","","0.0577","0.0448","","","0.0898","0.0945","","","","","","1.091","","","","has coordinates","196468","2020-10-21","18:00:00",""
"7042515","20.9646","0.0005","22.0475","0.0005","31.1954","0.0007","90","","90","","90","","14419","0.6","147","2","147","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C158 H157 Fe2 N19 O24 -","- C158 H157 Fe2 N19 O24 -","- C632 H628 Fe8 N76 O96 -","4","1","","Ferranco, Annaleizle; Basak, Shibaji; Lough, Alan; Kraatz, Heinz-Bernhard","Metal coordination of ferrocene-histidine conjugates.","Dalton transactions (Cambridge, England : 2003)","2017","46","14","4844","4859","10.1039/c7dt00456g","","","1.54178","CuKα","","0.0586","0.0533","","","0.1422","0.1458","","","","","","1.032","","","","has coordinates,has disorder","196443","2020-10-21","18:00:00",""
"7042516","21.9756","0.0004","21.9756","0.0004","30.3333","0.0009","90","","90","","90","","14648.8","0.6","147","2","147","2","","","","","","","","5","P 41","P 4w","76","","","","- C77 H74.5 Fe N9.5 O12 -","- C77 H74.5 Fe N9.5 O12 -","- C616 H596 Fe8 N76 O96 -","8","2","","Ferranco, Annaleizle; Basak, Shibaji; Lough, Alan; Kraatz, Heinz-Bernhard","Metal coordination of ferrocene-histidine conjugates.","Dalton transactions (Cambridge, England : 2003)","2017","46","14","4844","4859","10.1039/c7dt00456g","","","1.54178","CuKα","","0.14","0.1109","","","0.2713","0.2975","","","","","","1.012","","","","has coordinates","202518","2020-10-21","18:00:00",""
"7042517","15.2959","0.0007","11.0562","0.0007","17.2255","0.001","90","","92.868","0.001","90","","2909.4","0.3","153","2","153","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C25 H28 Cl4 Cu2 N8 O -","- C25 H28 Cl4 Cu2 N8 O -","- C100 H112 Cl16 Cu8 N32 O4 -","4","0.5","","Megger, Dominik A.; Rosowski, Kristin; Radunsky, Christian; Kösters, Jutta; Sitek, Barbara; Müller, Jens","Structurally related hydrazone-based metal complexes with different antitumor activities variably induce apoptotic cell death.","Dalton transactions (Cambridge, England : 2003)","2017","46","14","4759","4767","10.1039/c6dt04613d","","","0.71073","MoKα","","0.0489","0.0337","","","0.0776","0.0847","","","","","","1.008","","","","has coordinates,has disorder","196447","2020-10-21","18:00:00",""
"7042518","7.0643","0.0001","9.7937","0.0002","11.6995","0.0002","97.003","0.001","101.43","0.001","109.023","0.001","734.7","0.02","153","2","153","2","","","","","","","","6","P -1","-P 1","2","","","","- C24 H30 Cl4 Mn2 N8 O3 -","- C24 H30 Cl4 Mn2 N8 O3 -","- C24 H30 Cl4 Mn2 N8 O3 -","1","0.5","","Megger, Dominik A.; Rosowski, Kristin; Radunsky, Christian; Kösters, Jutta; Sitek, Barbara; Müller, Jens","Structurally related hydrazone-based metal complexes with different antitumor activities variably induce apoptotic cell death.","Dalton transactions (Cambridge, England : 2003)","2017","46","14","4759","4767","10.1039/c6dt04613d","","","0.71073","MoKα","","0.0278","0.0248","","","0.0641","0.0661","","","","","","1.046","","","","has coordinates,has disorder","196447","2020-10-21","18:00:00",""
"7042519","18.739","0.003","7.8233","0.0012","18.969","0.003","90","","98.87","0.005","90","","2747.6","0.7","153","2","153","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C12 H12 Cl2 N4 Zn -","- C12 H12 Cl2 N4 Zn -","- C96 H96 Cl16 N32 Zn8 -","8","2","","Megger, Dominik A.; Rosowski, Kristin; Radunsky, Christian; Kösters, Jutta; Sitek, Barbara; Müller, Jens","Structurally related hydrazone-based metal complexes with different antitumor activities variably induce apoptotic cell death.","Dalton transactions (Cambridge, England : 2003)","2017","46","14","4759","4767","10.1039/c6dt04613d","","","0.71073","MoKα","","0.1377","0.0515","","","0.0858","0.0992","","","","","","0.964","","","","has coordinates","203412","2020-10-21","18:00:00",""
"7042520","14.9882","0.0011","15.0573","0.0012","17.68","0.0013","74.232","0.002","82.418","0.002","66.125","0.002","3510.2","0.5","120","2","120","2","","","","","","","","5","P -1","-P 1","2","","","","- C78 H68 Co4 N12 O15 -","- C78 H68 Co4 N12 O15 -","- C156 H136 Co8 N24 O30 -","2","1","","Huang, Wei; Pan, Feifei; Wang, Zhenxing; Bai, Yan; Feng, Xuejun; Gu, Jiande; Ouyang, Zhong-Wen; Wu, Dayu","A mixed-valence metallogrid [CoCo] with an unusual electronic structure and single-ion-magnet characterization.","Dalton transactions (Cambridge, England : 2003)","2017","46","15","5069","5075","10.1039/c7dt00564d","","","0.71073","MoKα","","0.0898","0.0614","","","0.1805","0.2443","","","","","","1.077","","","","has coordinates","196466","2020-10-21","18:00:00",""
"7042521","8.3493","0.0002","9.6791","0.0001","16.9592","0.0002","98.5709","0.001","92.142","0.0009","114.172","0.0015","1229.02","0.04","150","2","150","2","","","","","","","","5","P -1","-P 1","2","","cis-hydrogen-bridged bis(silylene)ruthenium complex","","- C21 H40 O Ru Si2 -","- C21 H40 O Ru Si2 -","- C42 H80 O2 Ru2 Si4 -","2","1","","Hashimoto, Hisako; Komura, Katsuto; Ishizaki, Takatoshi; Odagiri, Yuto; Tobita, Hiromi","Hydrogen-bridged bis(silylene) complexes of ruthenium and iron: synthesis, structures and multi-centre bonding interactions at the M‒Si‒H‒Si four-membered ring","Dalton Trans.","2017","","","","","10.1039/C7DT00505A","","","0.71073","MoKα","","0.0539","0.0429","","","0.0872","0.0908","","","","","","1.142","","","","has coordinates","194344","2020-10-21","18:00:00",""
"7042522","8.3327","0.0004","9.4416","0.0007","16.908","0.0012","98.2428","0.0015","92.326","0.003","114.276","0.003","1192.74","0.14","150","2","150","2","","","","","","","","5","P -1","-P 1","2","","hydroge-bridged bis(silylene)iron complex","","- C21 H40 Fe O Si2 -","- C21 H40 Fe O Si2 -","- C42 H80 Fe2 O2 Si4 -","2","1","","Hashimoto, Hisako; Komura, Katsuto; Ishizaki, Takatoshi; Odagiri, Yuto; Tobita, Hiromi","Hydrogen-bridged bis(silylene) complexes of ruthenium and iron: synthesis, structures and multi-centre bonding interactions at the M‒Si‒H‒Si four-membered ring","Dalton Trans.","2017","","","","","10.1039/C7DT00505A","","","0.71073","MoKα","","0.038","0.0324","","","0.08","0.0824","","","","","","1.08","","","","has coordinates","194344","2020-10-21","18:00:00",""
"7042523","8.286","0.008","18.723","0.017","15.485","0.014","90","","94.159","0.009","90","","2396","4","100","2","100","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C19 H31 B Cu N6 O2 -","- C19 H31 B Cu N6 O2 -","- C76 H124 B4 Cu4 N24 O8 -","4","1","","Lan, Xue; Tominaga, Takumi; Mochida, Tomoyuki","Coordination abilities of polycyano anions in the solid state: coordination geometries and d-d transition energies of mixed-ligand solvatochromic copper(ii) complexes with B(CN)4, C(CN)3, and N(CN)2 anions.","Dalton transactions (Cambridge, England : 2003)","2017","46","15","5041","5047","10.1039/c7dt00675f","","","0.71073","MoKα","","0.0395","0.0349","","","0.0922","0.0954","","","","","","1.041","","","","has coordinates","196456","2020-10-21","18:00:00",""
"7042524","10.948","0.01","11.885","0.011","16.734","0.015","90","","91.091","0.015","90","","2177","3","100","2","100","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C19 H31 Cu N5 O2 -","- C19 H31 Cu N5 O2 -","- C76 H124 Cu4 N20 O8 -","4","2","","Lan, Xue; Tominaga, Takumi; Mochida, Tomoyuki","Coordination abilities of polycyano anions in the solid state: coordination geometries and d-d transition energies of mixed-ligand solvatochromic copper(ii) complexes with B(CN)4, C(CN)3, and N(CN)2 anions.","Dalton transactions (Cambridge, England : 2003)","2017","46","15","5041","5047","10.1039/c7dt00675f","","","0.71073","MoKα","","0.0504","0.0486","","","0.1232","0.1269","","","","","","1.091","","","","has coordinates,has disorder","196456","2020-10-21","18:00:00",""
"7042525","17.6451","0.0019","11.525","0.0012","18.713","0.002","90","","108.847","0.001","90","","3601.4","0.7","100","2","100","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C15 H23 Cu N5 O2 -","- C15 H23 Cu N5 O2 -","- C120 H184 Cu8 N40 O16 -","8","1","","Lan, Xue; Tominaga, Takumi; Mochida, Tomoyuki","Coordination abilities of polycyano anions in the solid state: coordination geometries and d-d transition energies of mixed-ligand solvatochromic copper(ii) complexes with B(CN)4, C(CN)3, and N(CN)2 anions.","Dalton transactions (Cambridge, England : 2003)","2017","46","15","5041","5047","10.1039/c7dt00675f","","","0.71073","MoKα","","0.0273","0.0255","","","0.0691","0.0703","","","","","","1.065","","","","has coordinates","196456","2020-10-21","18:00:00",""
"7042526","13.0071","0.0011","8.5237","0.0007","29.578","0.002","90","","98.288","0.001","90","","3245","0.4","100","2","100","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C13 H23 Cu N5 O2 -","- C13 H23 Cu N5 O2 -","- C104 H184 Cu8 N40 O16 -","8","2","","Lan, Xue; Tominaga, Takumi; Mochida, Tomoyuki","Coordination abilities of polycyano anions in the solid state: coordination geometries and d-d transition energies of mixed-ligand solvatochromic copper(ii) complexes with B(CN)4, C(CN)3, and N(CN)2 anions.","Dalton transactions (Cambridge, England : 2003)","2017","46","15","5041","5047","10.1039/c7dt00675f","","","0.71073","MoKα","","0.0273","0.0246","","","0.0696","0.071","","","","","","1.073","","","","has coordinates","196456","2020-10-21","18:00:00",""
"7042527","14.1711","0.001","14.1711","0.001","15.8493","0.0015","90","","90","","90","","3182.9","0.4","298","2","298","2","","","","","","","","5","I 41/a c d :2","-I 4bd 2c","142","","","","- Br6 Cu2 H4 O4 Pb4 -","- Br6 Cu2 H4 O4 Pb4 -","- Br48 Cu16 H32 O32 Pb32 -","8","0.25","","Xue, Ying-Ying; Zhang, Li-Xia; Li, Shu-Ni; Jiang, Yu-Cheng; Hu, Man-Cheng; Zhai, Quan-Guo","Ionothermal synthesis of novel Pb-OH-Cu-X (X = Cl, Br and I) quaternary heterometallic frameworks with tunable optical properties.","Dalton transactions (Cambridge, England : 2003)","2017","46","16","5183","5188","10.1039/c7dt00712d","","","0.71073","MoKα","","0.062","0.0485","","","0.1315","0.1367","","","","","","1.127","","","","has coordinates","196420","2020-10-21","18:00:00",""
"7042528","13.7547","0.0011","13.7547","0.0011","15.3654","0.0013","90","","90","","90","","2907","0.4","293","2","293","2","","","","","","","","5","I 41/a c d :2","-I 4bd 2c","142","","","","- Cl6 Cu2 H4 O4 Pb4 -","- Cl6 Cu2 H4 O4 Pb4 -","- Cl48 Cu16 H32 O32 Pb32 -","8","0.25","","Xue, Ying-Ying; Zhang, Li-Xia; Li, Shu-Ni; Jiang, Yu-Cheng; Hu, Man-Cheng; Zhai, Quan-Guo","Ionothermal synthesis of novel Pb-OH-Cu-X (X = Cl, Br and I) quaternary heterometallic frameworks with tunable optical properties.","Dalton transactions (Cambridge, England : 2003)","2017","46","16","5183","5188","10.1039/c7dt00712d","","","0.71073","MoKα","","0.0572","0.04","","","0.0892","0.0948","","","","","","1.14","","","","has coordinates","196420","2020-10-21","18:00:00",""
"7042529","16.6743","0.0015","20.8855","0.0018","20.8865","0.0019","90","","90","","90","","7273.7","1.1","298","2","298","2","","","","","","","","5","F d d d :2","-F 2uv 2vw","70","","","","- Cu H2 I3 O2 Pb2 -","- Cu H2 I3 O2 Pb2 -","- Cu32 H64 I96 O64 Pb64 -","32","1","","Xue, Ying-Ying; Zhang, Li-Xia; Li, Shu-Ni; Jiang, Yu-Cheng; Hu, Man-Cheng; Zhai, Quan-Guo","Ionothermal synthesis of novel Pb-OH-Cu-X (X = Cl, Br and I) quaternary heterometallic frameworks with tunable optical properties.","Dalton transactions (Cambridge, England : 2003)","2017","46","16","5183","5188","10.1039/c7dt00712d","","","0.71073","MoKα","","0.0554","0.0456","","","0.1125","0.1167","","","","","","1.096","","","","has coordinates","196420","2020-10-21","18:00:00",""
"7042530","7.7986","0.0002","11.3229","0.0002","13.4185","0.0003","74.707","0.002","81.993","0.001","84.047","0.002","1129.01","0.04","123","2","123","2","","","","","","","","5","P -1","-P 1","2","","","","- C22 H21 N3 O8 U -","- C22 H21 N3 O8 U -","- C44 H42 N6 O16 U2 -","2","1","","Valkonen, Arto; Lombardo, Giuseppe M.; Rissanen, Kari; Punzo, Francesco; Cametti, Massimo","X-Ray crystallographic and computational study on uranyl-salophen complexes bearing nitro groups.","Dalton transactions (Cambridge, England : 2003)","2017","46","16","5240","5249","10.1039/c6dt04773d","","","0.71073","MoKα","","0.0423","0.0372","","","0.0956","0.0988","","","","","","1.065","","","","has coordinates","196426","2020-10-21","18:00:00",""
"7042531","7.8083","0.0001","12.8964","0.0002","13.0519","0.0002","117.715","0.001","96.818","0.001","100.027","0.001","1115.29","0.03","123","2","123","2","","","","","","","","5","P -1","-P 1","2","","","","- C22 H15 N5 O8 U -","- C22 H15 N5 O8 U -","- C44 H30 N10 O16 U2 -","2","1","","Valkonen, Arto; Lombardo, Giuseppe M.; Rissanen, Kari; Punzo, Francesco; Cametti, Massimo","X-Ray crystallographic and computational study on uranyl-salophen complexes bearing nitro groups.","Dalton transactions (Cambridge, England : 2003)","2017","46","16","5240","5249","10.1039/c6dt04773d","","","0.71073","MoKα","","0.0448","0.0345","","","0.0609","0.0636","","","","","","1.022","","","","has coordinates","196426","2020-10-21","18:00:00",""
"7042532","8.6139","0.0003","12.4803","0.0005","13.4843","0.0005","115.801","0.002","102.929","0.002","96.343","0.002","1235.81","0.09","123","2","123","2","","","","","","","","5","P -1","-P 1","2","","","","- C23 H18 N6 O11 U -","- C23 H18 N6 O11 U -","- C46 H36 N12 O22 U2 -","2","1","","Valkonen, Arto; Lombardo, Giuseppe M.; Rissanen, Kari; Punzo, Francesco; Cametti, Massimo","X-Ray crystallographic and computational study on uranyl-salophen complexes bearing nitro groups.","Dalton transactions (Cambridge, England : 2003)","2017","46","16","5240","5249","10.1039/c6dt04773d","","","0.71073","MoKα","","0.0596","0.043","","","0.0715","0.0754","","","","","","1.032","","","","has coordinates,has disorder","196426","2020-10-21","18:00:00",""
"7042533","8.1034","0.0001","11.5084","0.0002","12.0611","0.0002","94.8897","0.001","90.5348","0.0011","91.4276","0.0012","1120.27","0.03","123","2","123","2","","","","","","","","5","P -1","-P 1","2","","","","- C22 H19 N3 O7 U -","- C22 H19 N3 O7 U -","- C44 H38 N6 O14 U2 -","2","1","","Valkonen, Arto; Lombardo, Giuseppe M.; Rissanen, Kari; Punzo, Francesco; Cametti, Massimo","X-Ray crystallographic and computational study on uranyl-salophen complexes bearing nitro groups.","Dalton transactions (Cambridge, England : 2003)","2017","46","16","5240","5249","10.1039/c6dt04773d","","","0.71073","MoKα","","0.025","0.0235","","","0.0585","0.0595","","","","","","1.041","","","","has coordinates,has disorder","196426","2020-10-21","18:00:00",""
"7042534","11.6878","0.0003","12.1737","0.0003","12.4532","0.0004","73.37","0.002","66.535","0.002","83.915","0.002","1557.31","0.08","123","2","123","2","","","","","","","","5","P -1","-P 1","2","","","","- C59 H48 N6 O17 U2 -","- C59 H48 N6 O17 U2 -","- C59 H48 N6 O17 U2 -","1","0.5","","Valkonen, Arto; Lombardo, Giuseppe M.; Rissanen, Kari; Punzo, Francesco; Cametti, Massimo","X-Ray crystallographic and computational study on uranyl-salophen complexes bearing nitro groups.","Dalton transactions (Cambridge, England : 2003)","2017","46","16","5240","5249","10.1039/c6dt04773d","","","0.71073","MoKα","","0.0366","0.03","","","0.0683","0.071","","","","","","1.045","","","","has coordinates","196426","2020-10-21","18:00:00",""
"7042535","9.7279","0.0002","23.6223","0.0003","27.0822","0.0003","90","","90","","90","","6223.36","0.17","123","2","123","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C34 H32 N4 O6 U -","- C34 H32 N4 O6 U -","- C272 H256 N32 O48 U8 -","8","1","","Valkonen, Arto; Lombardo, Giuseppe M.; Rissanen, Kari; Punzo, Francesco; Cametti, Massimo","X-Ray crystallographic and computational study on uranyl-salophen complexes bearing nitro groups.","Dalton transactions (Cambridge, England : 2003)","2017","46","16","5240","5249","10.1039/c6dt04773d","","","0.71073","MoKα","","0.0543","0.0368","","","0.0649","0.0699","","","","","","1.071","","","","has coordinates,has disorder","196426","2020-10-21","18:00:00",""
"7042536","18.6709","0.0004","9.3853","0.0003","23.941","0.0008","90","","106.914","0.0018","90","","4013.8","0.2","293","2","293","2","","","","","","","","8","C 1 2 1","C 2y","5","","","","- C40.5 H35 Cl4 N2 O2 P Pd S -","- C40.5 H35 Cl4 N2 O2 P Pd S -","- C162 H140 Cl16 N8 O8 P4 Pd4 S4 -","4","1","","Scattolin, Thomas; Visentin, Fabiano; Santo, Claudio; Bertolasi, Valerio; Canovese, Luciano","Isocyanide insertion across the Pd-C bond of allenyl and propargyl palladium complexes bearing phosphoquinoline as a spectator ligand. Synthesis of a palladium complex bearing a coordinated cyclobutenyl fragment.","Dalton transactions (Cambridge, England : 2003)","2017","46","16","5210","5217","10.1039/c7dt00454k","","","0.71073","MoKα","","0.0551","0.0394","","","0.0789","0.0865","","","","","","1.04","","","","has coordinates","196429","2020-10-21","18:00:00",""
"7042537","23.714","0.003","23.714","0.003","16.575","0.003","90","","90","","90","","9321","2","123","2","123","2","","","","","","","","7","P 42/n :2","-P 4bc","86","","","","- C124 H164 Ce4 N20 O80 Si W12 -","- C124 H164 Ce4 N20 O80 Si W12 -","- C248 H328 Ce8 N40 O160 Si2 W24 -","2","0.25","","Zhang, Hai-Long; Liao, Jian-Zhen; Yang, Wenbin; Wu, Xiao-Yuan; Lu, Can-Zhong","A novel naphthalenediimide-based lanthanide-organic framework with polyoxometalate templates exhibiting reversible photochromism.","Dalton transactions (Cambridge, England : 2003)","2017","46","15","4898","4901","10.1039/c7dt00631d","","","0.71073","MoKα","","0.0897","0.0761","","","0.1907","0.2001","","","","","","1.055","","","","has coordinates","196472","2020-10-21","18:00:00",""
"7042538","18.275","0.0006","17.3035","0.0007","27.3203","0.0011","90","","99.021","0.003","90","","8532.4","0.6","104.3","","104.3","","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C66 H134 N2 O25 V6 -","- C66 H134 N2 O25 V6 -","- C264 H536 N8 O100 V24 -","4","0.5","","Bayaguud, Aruuhan; Li, JianDa; She, Shan; Wei, Yongge","A simple synthetic route to polyoxovanadate-based organic-inorganic hybrids using EEDQ as an ester coupling agent.","Dalton transactions (Cambridge, England : 2003)","2017","46","14","4602","4608","10.1039/c7dt00274b","","","0.71073","MoKα","","0.1174","0.0843","","","0.19","0.2119","","","","","","1.054","","","","has coordinates,has disorder","196441","2020-10-21","18:00:00",""
"7042539","13.504","0.003","17.74","0.004","15.324","0.003","90","","108.64","0.03","90","","3478.5","1.4","153.15","","153.15","","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C56 H114 N2 O29 V6 -","- C56 H114 N2 O29 V6 -","- C112 H228 N4 O58 V12 -","2","0.5","","Bayaguud, Aruuhan; Li, JianDa; She, Shan; Wei, Yongge","A simple synthetic route to polyoxovanadate-based organic-inorganic hybrids using EEDQ as an ester coupling agent.","Dalton transactions (Cambridge, England : 2003)","2017","46","14","4602","4608","10.1039/c7dt00274b","","","0.71073","MoKα","","0.0646","0.0586","","","0.1459","0.1506","","","","","","1.114","","","","has coordinates,has disorder","196441","2020-10-21","18:00:00",""
"7042540","22.5215","0.0004","15.848","0.0002","18.2434","0.0003","90","","102.97","0.0017","90","","6345.32","0.18","105.5","","105.5","","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C46 H88 F6 N2 O23 V6 -","- C46 H88 F6 N2 O23 V6 -","- C184 H352 F24 N8 O92 V24 -","4","1","","Bayaguud, Aruuhan; Li, JianDa; She, Shan; Wei, Yongge","A simple synthetic route to polyoxovanadate-based organic-inorganic hybrids using EEDQ as an ester coupling agent.","Dalton transactions (Cambridge, England : 2003)","2017","46","14","4602","4608","10.1039/c7dt00274b","","","0.71073","MoKα","","0.0549","0.0433","","","0.1002","0.1071","","","","","","1.032","","","","has coordinates,has disorder","196441","2020-10-21","18:00:00",""
"7042541","11.562","0.002","12.318","0.003","15.05","0.003","78.38","0.03","89.8","0.03","62.09","0.03","1845.1","0.9","173.15","","173.15","","","","","","","","","5","P -1","-P 1","2","","","","- C62 H122 N2 O23 V6 -","- C62 H122 N2 O23 V6 -","- C62 H122 N2 O23 V6 -","1","0.5","","Bayaguud, Aruuhan; Li, JianDa; She, Shan; Wei, Yongge","A simple synthetic route to polyoxovanadate-based organic-inorganic hybrids using EEDQ as an ester coupling agent.","Dalton transactions (Cambridge, England : 2003)","2017","46","14","4602","4608","10.1039/c7dt00274b","","","0.71073","MoKα","","0.0532","0.0492","","","0.1229","0.1263","","","","","","1.067","","","","has coordinates","196441","2020-10-21","18:00:00",""
"7042542","11.4081","0.0007","11.9363","0.0006","18.8822","0.0011","101.329","0.004","96.637","0.005","116.297","0.005","2199.3","0.3","105.6","","105.6","","","","","","","","","5","P -1","-P 1","2","","","","- C74 H150 N2 O23 V6 -","- C74 H150 N2 O23 V6 -","- C74 H150 N2 O23 V6 -","1","0.5","","Bayaguud, Aruuhan; Li, JianDa; She, Shan; Wei, Yongge","A simple synthetic route to polyoxovanadate-based organic-inorganic hybrids using EEDQ as an ester coupling agent.","Dalton transactions (Cambridge, England : 2003)","2017","46","14","4602","4608","10.1039/c7dt00274b","","","0.71073","MoKα","","0.0489","0.0375","","","0.0745","0.0809","","","","","","1.053","","","","has coordinates","196441","2020-10-21","18:00:00",""
"7042543","9.0753","0.0002","7.44521","0.00017","9.4607","0.0002","90","","90","","90","","639.24","0.02","296","","296","2","","","","","","","","5","I m m a","-I 2b 2","74","","","","- C2 F5 Fe1.06 N3 Zn0.94 -","- C2 F5 Fe1.06 N3 Zn0.94 -","- C8 F20 Fe4.24 N12 Zn3.76 -","4","0.25","","Albino, M.; Clark, L.; Lhoste, J.; Payen, C.; Grenèche, J-M; Lightfoot, P.; Maisonneuve, V.; Leblanc, M.","A magnetisation and Mössbauer study of triazole (M1-x(2+)Mx(3+))M(3+)F5(Htaz)1-x(taz)x weberites (M = Fe, Co, Mn, Zn, Ga, V).","Dalton transactions (Cambridge, England : 2003)","2017","46","16","5352","5362","10.1039/c7dt00587c","powder diffraction","","0.71069","MoKα","","","","","","","","","4.0239","1.4206","","","","","","","has coordinates","196431","2020-10-21","18:00:00",""
"7042544","9.0193","0.0004","7.3421","0.0003","9.3901","0.0004","90","","90","","90","","621.82","0.05","296","","296","2","","","","","","","","5","I m m a","-I 2b 2","74","","","","- C2 Co F5 Ga N3 -","- C2 Co F5 Ga N3 -","- C8 Co4 F20 Ga4 N12 -","4","0.25","","Albino, M.; Clark, L.; Lhoste, J.; Payen, C.; Grenèche, J-M; Lightfoot, P.; Maisonneuve, V.; Leblanc, M.","A magnetisation and Mössbauer study of triazole (M1-x(2+)Mx(3+))M(3+)F5(Htaz)1-x(taz)x weberites (M = Fe, Co, Mn, Zn, Ga, V).","Dalton transactions (Cambridge, England : 2003)","2017","46","16","5352","5362","10.1039/c7dt00587c","powder diffraction","","0.71069","MoKα","","","","","","","","","5.6598","1.4012","","","","","","","has coordinates","196431","2020-10-21","18:00:00",""
"7042545","9.0882","0.0005","7.4479","0.0004","9.4689","0.0005","90","","90","","90","","640.93","0.06","296","","296","2","","","","","","","","5","I m m a","-I 2b 2","74","","","","- C2 Co0.93 F5 Fe1.07 N3 -","- C2 Co0.93 F5 Fe1.07 N3 -","- C8 Co3.72 F20 Fe4.28 N12 -","4","0.25","","Albino, M.; Clark, L.; Lhoste, J.; Payen, C.; Grenèche, J-M; Lightfoot, P.; Maisonneuve, V.; Leblanc, M.","A magnetisation and Mössbauer study of triazole (M1-x(2+)Mx(3+))M(3+)F5(Htaz)1-x(taz)x weberites (M = Fe, Co, Mn, Zn, Ga, V).","Dalton transactions (Cambridge, England : 2003)","2017","46","16","5352","5362","10.1039/c7dt00587c","powder diffraction","","0.71069","MoKα","","","","","","","","","6.3982","0.9975","","","","","","","has coordinates","196431","2020-10-21","18:00:00",""
"7042546","9.0738","0.0004","7.4627","0.0003","9.4407","0.0004","90","","90","","90","","639.28","0.05","296","","296","2","","","","","","","","5","I m m a","-I 2b 2","74","","","","- C2 Co F5 N3 V -","- C2 Co F5 N3 V -","- C8 Co4 F20 N12 V4 -","4","0.25","","Albino, M.; Clark, L.; Lhoste, J.; Payen, C.; Grenèche, J-M; Lightfoot, P.; Maisonneuve, V.; Leblanc, M.","A magnetisation and Mössbauer study of triazole (M1-x(2+)Mx(3+))M(3+)F5(Htaz)1-x(taz)x weberites (M = Fe, Co, Mn, Zn, Ga, V).","Dalton transactions (Cambridge, England : 2003)","2017","46","16","5352","5362","10.1039/c7dt00587c","powder diffraction","","0.71069","MoKα","","","","","","","","","5.6681","1.0803","","","","","","","has coordinates","196431","2020-10-21","18:00:00",""
"7042547","9.0595","0.0004","7.4628","0.0003","9.4321","0.0004","90","","90","","90","","637.7","0.05","296","","296","2","","","","","","","","5","I m m a","-I 2b 2","74","","","","- C2 F5 N3 V Zn -","- C2 F5 N3 V Zn -","- C8 F20 N12 V4 Zn4 -","4","0.25","","Albino, M.; Clark, L.; Lhoste, J.; Payen, C.; Grenèche, J-M; Lightfoot, P.; Maisonneuve, V.; Leblanc, M.","A magnetisation and Mössbauer study of triazole (M1-x(2+)Mx(3+))M(3+)F5(Htaz)1-x(taz)x weberites (M = Fe, Co, Mn, Zn, Ga, V).","Dalton transactions (Cambridge, England : 2003)","2017","46","16","5352","5362","10.1039/c7dt00587c","powder diffraction","","0.71069","MoKα","","","","","","","","","3.8384","3.4712","","","","","","","has coordinates","196431","2020-10-21","18:00:00",""
"7042548","9.1404","0.0004","7.4753","0.0003","9.4629","0.0004","90","","90","","90","","646.57","0.05","296","","296","2","","","","","","","","5","I m m a","-I 2b 2","74","","","","- C2 F5 Fe1.39 Ga0.61 N3 -","- C2 F5 Fe1.39 Ga0.61 N3 -","- C8 F20 Fe5.56 Ga2.44 N12 -","4","0.25","","Albino, M.; Clark, L.; Lhoste, J.; Payen, C.; Grenèche, J-M; Lightfoot, P.; Maisonneuve, V.; Leblanc, M.","A magnetisation and Mössbauer study of triazole (M1-x(2+)Mx(3+))M(3+)F5(Htaz)1-x(taz)x weberites (M = Fe, Co, Mn, Zn, Ga, V).","Dalton transactions (Cambridge, England : 2003)","2017","46","16","5352","5362","10.1039/c7dt00587c","powder diffraction","","0.71069","MoKα","","","","","","","","","5.2","1.3227","","","","","","","has coordinates","196431","2020-10-21","18:00:00",""
"7042549","9.1583","0.0003","7.4912","0.0002","9.4607","0.0003","90","","90","","90","","649.07","0.03","296","","296","2","","","","","","","","4","I m m a","-I 2b 2","74","","","","- C2 F5 Fe2 N3 -","- C2 F5 Fe2 N3 -","- C8 F20 Fe8 N12 -","4","0.25","","Albino, M.; Clark, L.; Lhoste, J.; Payen, C.; Grenèche, J-M; Lightfoot, P.; Maisonneuve, V.; Leblanc, M.","A magnetisation and Mössbauer study of triazole (M1-x(2+)Mx(3+))M(3+)F5(Htaz)1-x(taz)x weberites (M = Fe, Co, Mn, Zn, Ga, V).","Dalton transactions (Cambridge, England : 2003)","2017","46","16","5352","5362","10.1039/c7dt00587c","powder diffraction","","0.71069","MoKα","","","","","","","","","4.8167","0.9905","","","","","","","has coordinates","196431","2020-10-21","18:00:00",""
"7042550","9.2723","0.0003","7.5057","0.0002","9.5831","0.0003","90","","90","","90","","666.94","0.03","296","","296","2","","","","","","","","5","I m m a","-I 2b 2","74","","","","- C2 F5 Fe1.17 Mn0.83 N3 -","- C2 F5 Fe1.17 Mn0.83 N3 -","- C8 F20 Fe4.68 Mn3.32 N12 -","4","0.25","","Albino, M.; Clark, L.; Lhoste, J.; Payen, C.; Grenèche, J-M; Lightfoot, P.; Maisonneuve, V.; Leblanc, M.","A magnetisation and Mössbauer study of triazole (M1-x(2+)Mx(3+))M(3+)F5(Htaz)1-x(taz)x weberites (M = Fe, Co, Mn, Zn, Ga, V).","Dalton transactions (Cambridge, England : 2003)","2017","46","16","5352","5362","10.1039/c7dt00587c","powder diffraction","","0.71069","MoKα","","","","","","","","","4.6888","1.1791","","","","","","","has coordinates","196431","2020-10-21","18:00:00",""
"7042551","9.2919","0.0003","7.5003","0.0002","9.602","0.0003","90","","90","","90","","669.18","0.03","296","","296","2","","","","","","","","5","I m m a","-I 2b 2","74","","","","- C2 F5 Fe1.06 Mn0.94 N3 -","- C2 F5 Fe1.06 Mn0.94 N3 -","- C8 F20 Fe4.24 Mn3.76 N12 -","4","0.25","","Albino, M.; Clark, L.; Lhoste, J.; Payen, C.; Grenèche, J-M; Lightfoot, P.; Maisonneuve, V.; Leblanc, M.","A magnetisation and Mössbauer study of triazole (M1-x(2+)Mx(3+))M(3+)F5(Htaz)1-x(taz)x weberites (M = Fe, Co, Mn, Zn, Ga, V).","Dalton transactions (Cambridge, England : 2003)","2017","46","16","5352","5362","10.1039/c7dt00587c","powder diffraction","","0.71069","MoKα","","","","","","","","","3.9602","1.403","","","","","","","has coordinates","196431","2020-10-21","18:00:00",""
"7042552","13.6038","0.0004","25.613","0.0007","11.863","0.0003","90","","90","","90","","4133.5","0.2","173","2","173","2","","","","","","","","6","P n n a","-P 2a 2bc","52","","","","- C14 H20 Br2 N2 Si2 Zn -","- C14 H20 Br2 N2 Si2 Zn -","- C112 H160 Br16 N16 Si16 Zn8 -","8","1","","Choi, Eunkyung; Ryu, Minjoo; Lee, Haeri; Jung, Ok-Sang","Enantiomeric two-fold interpenetrated 3D zinc(ii) coordination networks as a catalytic platform: significant difference between water within the cage and trace water in transesterification.","Dalton transactions (Cambridge, England : 2003)","2017","46","14","4595","4601","10.1039/c7dt00217c","","","0.71073","MoKα","","0.0386","0.0298","","","0.0677","0.071","","","","","","1.095","","","","has coordinates","196452","2020-10-21","18:00:00",""
"7042553","30.7561","0.0002","30.7561","0.0002","30.7561","0.0002","90","","90","","90","","29093.4","0.3","173","2","173","2","","","","","","","","7","I a -3 d","-I 4bd 2c 3","230","","","","- C42 H73 Cl3 N6 O20 Si6 Zn3 -","- C42 H72.9998 Cl3 N6 O19.9998 Si6 Zn3 -","- C672 H1168 Cl48 N96 O319.997 Si96 Zn48 -","16","0.166667","","Choi, Eunkyung; Ryu, Minjoo; Lee, Haeri; Jung, Ok-Sang","Enantiomeric two-fold interpenetrated 3D zinc(ii) coordination networks as a catalytic platform: significant difference between water within the cage and trace water in transesterification.","Dalton transactions (Cambridge, England : 2003)","2017","46","14","4595","4601","10.1039/c7dt00217c","","","0.71073","MoKα","","0.1019","0.094","","","0.2576","0.263","","","","","","1.228","","","","has coordinates,has disorder","196452","2020-10-21","18:00:00",""
"7042554","33.287","0.011","5.6052","0.0019","45.613","0.015","90","","110.234","0.005","90","","7985","5","100.15","","100.15","","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C86 H114 N4 O6 S6 -","- C86 H114 N4 O6 S6 -","- C344 H456 N16 O24 S24 -","4","0.5","","Chatterjee, Madhumita; Mondal, Prasenjit; Beyer, Katharina; Paretzki, Alexa; Kaim, Wolfgang; Lahiri, Goutam Kumar","A structurally characterised redox pair involving an indigo radical: indigo based redox activity in complexes with one or two [Ru(bpy)2] fragments.","Dalton transactions (Cambridge, England : 2003)","2017","46","15","5091","5102","10.1039/c7dt00055c","","x-ray","0.39739","synchrotron","","0.2587","0.2118","","","0.5023","0.5278","","","","","","2.098","","","","has coordinates,has disorder","196455","2020-10-21","18:00:00",""
"7042555","12.9402","0.0005","15.178","0.0004","15.4382","0.0004","81.868","0.002","69.543","0.003","73.626","0.003","2722.6","0.16","150","2","150","2","","","","","","","","6","P -1","-P 1","2","","","","- C58 H43 Cl2 N11 O10 Ru2 -","- C58 H43 Cl2 N11 O10 Ru2 -","- C116 H86 Cl4 N22 O20 Ru4 -","2","1","","Chatterjee, Madhumita; Mondal, Prasenjit; Beyer, Katharina; Paretzki, Alexa; Kaim, Wolfgang; Lahiri, Goutam Kumar","A structurally characterised redox pair involving an indigo radical: indigo based redox activity in complexes with one or two [Ru(bpy)2] fragments.","Dalton transactions (Cambridge, England : 2003)","2017","46","15","5091","5102","10.1039/c7dt00055c","","","0.71073","MoKα","","0.0775","0.0571","","","0.1287","0.1408","","","","","","1.049","","","","has coordinates","196455","2020-10-21","18:00:00",""
"7042556","12.7946","0.0003","18.277","0.0005","24.8597","0.0006","90","","104.716","0.003","90","","5622.7","0.3","150","2","150","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C56 H40 Cl3 N10 O14 Ru2 -","- C56 H40 Cl3 N10 O14 Ru2 -","- C224 H160 Cl12 N40 O56 Ru8 -","4","1","","Chatterjee, Madhumita; Mondal, Prasenjit; Beyer, Katharina; Paretzki, Alexa; Kaim, Wolfgang; Lahiri, Goutam Kumar","A structurally characterised redox pair involving an indigo radical: indigo based redox activity in complexes with one or two [Ru(bpy)2] fragments.","Dalton transactions (Cambridge, England : 2003)","2017","46","15","5091","5102","10.1039/c7dt00055c","","","0.71073","MoKα","","0.0729","0.0561","","","0.1288","0.1417","","","","","","1.051","","","","has coordinates","196455","2020-10-21","18:00:00",""
"7042557","5.677","0.005","9.524","0.007","5.485","0.004","90","","109.47","0.014","90","","279.6","0.4","293","2","293","2","","","","","","","","4","P 1 2/c 1","-P 2yc","13","","","","- Co Na4 O6 Te -","- Co Na4 O6 Te -","- Co2 Na8 O12 Te2 -","2","0.5","","He, Zhangzhen; Guo, Wenbin; Cui, Meiyan; Tang, Yingying","Synthesis and magnetic properties of new tellurate compounds Na4MTeO6 (M = Co and Ni) with a ferromagnetic spin-chain structure.","Dalton transactions (Cambridge, England : 2003)","2017","46","15","5076","5081","10.1039/c6dt04750e","","","0.71073","MoKα","","0.0243","0.0222","","","0.0489","0.0493","","","","","","0.971","","","","has coordinates","196457","2020-10-21","18:00:00",""
"7042558","5.405","0.002","5.668","0.002","9.565","0.005","73.026","0.008","89.644","0.017","80.439","0.012","276.1","0.2","293","2","293","2","","","","","","","","4","P -1","-P 1","2","","","","- Na4 Ni O6 Te -","- Na4 Ni O6 Te -","- Na8 Ni2 O12 Te2 -","2","1","","He, Zhangzhen; Guo, Wenbin; Cui, Meiyan; Tang, Yingying","Synthesis and magnetic properties of new tellurate compounds Na4MTeO6 (M = Co and Ni) with a ferromagnetic spin-chain structure.","Dalton transactions (Cambridge, England : 2003)","2017","46","15","5076","5081","10.1039/c6dt04750e","","","0.71073","MoKα","","0.014","0.0131","","","0.0326","0.033","","","","","","1.152","","","","has coordinates","196457","2020-10-21","18:00:00",""
"7042559","17.8703","0.0003","8.67704","0.00008","24.2103","0.0004","90","","117.647","0.002","90","","3325.45","0.1","100.01","0.1","100.01","0.1","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C34 H52 P2 Y2 -","- C34 H52 P2 Y2 -","- C136 H208 P8 Y8 -","4","0.5","","Pieper, Martin; Lamm, Jan-Hendrik; Neumann, Beate; Stammler, Hans-Georg; Mitzel, Norbert W.","Methylene-bridged, intramolecular donor-acceptor systems based on rare-earth metals and phosphinomethanides.","Dalton transactions (Cambridge, England : 2003)","2017","46","16","5326","5336","10.1039/c7dt00554g","","","1.5418","CuKα","","0.0179","0.0168","","","0.0388","0.0395","","","","","","1.035","","","","has coordinates,has disorder","196417","2020-10-21","18:00:00",""
"7042560","22.2738","0.001","11.5766","0.0004","16.8177","0.0007","90","","111.773","0.005","90","","4027.2","0.3","100","0.1","100","0.1","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C38 H60 Cl Er2 Li P2 -","- C38 H60 Cl Er2 Li P2 -","- C152 H240 Cl4 Er8 Li4 P8 -","4","1","","Pieper, Martin; Lamm, Jan-Hendrik; Neumann, Beate; Stammler, Hans-Georg; Mitzel, Norbert W.","Methylene-bridged, intramolecular donor-acceptor systems based on rare-earth metals and phosphinomethanides.","Dalton transactions (Cambridge, England : 2003)","2017","46","16","5326","5336","10.1039/c7dt00554g","","","0.7107","MoKα","","0.0571","0.0537","","","0.1332","0.1362","","","","","","1.141","","","","has coordinates,has disorder","196417","2020-10-21","18:00:00",""
"7042561","12.6353","0.0003","22.9872","0.0005","19.9472","0.0004","90","","103.266","0.002","90","","5639.1","0.2","100.01","0.1","100.01","0.1","","","","","","","","3","I 1 2/c 1","-I 2yc","15","","","","- C77 H62 Y2 -","- C56 H38 Y2 -","- C224 H152 Y8 -","4","0.5","","Pieper, Martin; Lamm, Jan-Hendrik; Neumann, Beate; Stammler, Hans-Georg; Mitzel, Norbert W.","Methylene-bridged, intramolecular donor-acceptor systems based on rare-earth metals and phosphinomethanides.","Dalton transactions (Cambridge, England : 2003)","2017","46","16","5326","5336","10.1039/c7dt00554g","","x-ray","1.54184","CuKα","","0.0393","0.0334","","","0.0909","0.0936","","","","","","1.032","","","","has coordinates","196417","2020-10-21","18:00:00",""
"7042562","8.58646","0.00013","10.33636","0.00012","16.233","0.0003","90","","100.234","0.0016","90","","1417.8","0.04","99.9","0.2","99.9","0.2","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","","","- C36 H30 Y2 -","- C36 H30 Y2 -","- C72 H60 Y4 -","2","0.5","","Pieper, Martin; Lamm, Jan-Hendrik; Neumann, Beate; Stammler, Hans-Georg; Mitzel, Norbert W.","Methylene-bridged, intramolecular donor-acceptor systems based on rare-earth metals and phosphinomethanides.","Dalton transactions (Cambridge, England : 2003)","2017","46","16","5326","5336","10.1039/c7dt00554g","","x-ray","1.54184","CuKα","","0.0303","0.0294","","","0.0731","0.0737","","","","","","1.077","","","","has coordinates","196417","2020-10-21","18:00:00",""
"7042563","22.3342","0.0006","11.5702","0.0003","16.8117","0.0005","90","","111.751","0.003","90","","4035","0.2","99.94","0.18","99.94","0.18","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C38 H60 Cl Li P2 Y2 -","- C38 H60 Cl Li P2 Y2 -","- C152 H240 Cl4 Li4 P8 Y8 -","4","1","","Pieper, Martin; Lamm, Jan-Hendrik; Neumann, Beate; Stammler, Hans-Georg; Mitzel, Norbert W.","Methylene-bridged, intramolecular donor-acceptor systems based on rare-earth metals and phosphinomethanides.","Dalton transactions (Cambridge, England : 2003)","2017","46","16","5326","5336","10.1039/c7dt00554g","","","0.7107","MoKα","","0.0513","0.0505","","","0.1202","0.1208","","","","","","1.132","","","","has coordinates,has disorder","196417","2020-10-21","18:00:00",""
"7042564","17.9396","0.0005","8.62382","0.00018","22.37","0.0006","90","","107.104","0.003","90","","3307.75","0.15","99.94","0.15","99.94","0.15","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C34 H52 Er2 P2 -","- C34 H52 Er2 P2 -","- C136 H208 Er8 P8 -","4","0.5","","Pieper, Martin; Lamm, Jan-Hendrik; Neumann, Beate; Stammler, Hans-Georg; Mitzel, Norbert W.","Methylene-bridged, intramolecular donor-acceptor systems based on rare-earth metals and phosphinomethanides.","Dalton transactions (Cambridge, England : 2003)","2017","46","16","5326","5336","10.1039/c7dt00554g","","x-ray","1.54184","CuKα","","0.0299","0.0266","","","0.0593","0.061","","","","","","1.041","","","","has coordinates,has disorder","196417","2020-10-21","18:00:00",""
"7042565","17.9053","0.0005","8.6474","0.0002","22.382","0.0005","90","","107.146","0.003","90","","3311.48","0.15","100","0.1","100","0.1","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C34 H52 Ho2 P2 -","- C34 H52 Ho2 P2 -","- C136 H208 Ho8 P8 -","4","0.5","","Pieper, Martin; Lamm, Jan-Hendrik; Neumann, Beate; Stammler, Hans-Georg; Mitzel, Norbert W.","Methylene-bridged, intramolecular donor-acceptor systems based on rare-earth metals and phosphinomethanides.","Dalton transactions (Cambridge, England : 2003)","2017","46","16","5326","5336","10.1039/c7dt00554g","","x-ray","1.54184","CuKα","","0.0273","0.0258","","","0.0627","0.0638","","","","","","1.054","","","","has coordinates,has disorder","196417","2020-10-21","18:00:00",""
"7042566","15.8318","0.0005","9.4151","0.0005","27.4257","0.0011","90","","95.717","0.003","90","","4067.7","0.3","99.99","0.1","99.99","0.1","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C38 H60 Cl Ho2 Li P2 -","- C38 H60 Cl Ho2 Li P2 -","- C152 H240 Cl4 Ho8 Li4 P8 -","4","1","","Pieper, Martin; Lamm, Jan-Hendrik; Neumann, Beate; Stammler, Hans-Georg; Mitzel, Norbert W.","Methylene-bridged, intramolecular donor-acceptor systems based on rare-earth metals and phosphinomethanides.","Dalton transactions (Cambridge, England : 2003)","2017","46","16","5326","5336","10.1039/c7dt00554g","","","0.7107","MoKα","","0.0795","0.0624","","","0.1501","0.1623","","","","","","1.1","","","","has coordinates,has disorder","196417","2020-10-21","18:00:00",""
"7042567","11.6041","0.0003","14.4756","0.0007","15.4007","0.0005","90","","96.756","0.003","90","","2568.99","0.16","100","0.11","100","0.11","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","","","- C68 H50 Er2 -","- C68 H50 Er2 -","- C136 H100 Er4 -","2","0.5","","Pieper, Martin; Lamm, Jan-Hendrik; Neumann, Beate; Stammler, Hans-Georg; Mitzel, Norbert W.","Methylene-bridged, intramolecular donor-acceptor systems based on rare-earth metals and phosphinomethanides.","Dalton transactions (Cambridge, England : 2003)","2017","46","16","5326","5336","10.1039/c7dt00554g","","x-ray","0.71073","MoKα","","0.0939","0.0763","","","0.1469","0.1528","","","","","","1.385","","","","has coordinates,has disorder","196417","2020-10-21","18:00:00",""
"7042568","8.5566","0.0002","10.23247","0.00017","16.169","0.0003","90","","100.462","0.002","90","","1392.14","0.05","100","0.1","100","0.1","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","","","- C36 H30 Er2 -","- C36 H30 Er2 -","- C72 H60 Er4 -","2","0.5","","Pieper, Martin; Lamm, Jan-Hendrik; Neumann, Beate; Stammler, Hans-Georg; Mitzel, Norbert W.","Methylene-bridged, intramolecular donor-acceptor systems based on rare-earth metals and phosphinomethanides.","Dalton transactions (Cambridge, England : 2003)","2017","46","16","5326","5336","10.1039/c7dt00554g","","x-ray","0.71073","MoKα","","0.0261","0.0216","","","0.0506","0.0527","","","","","","1.088","","","","has coordinates","196417","2020-10-21","18:00:00",""
"7042569","11.59946","0.00011","14.4403","0.00017","15.36988","0.00011","90","","96.7876","0.0008","90","","2556.41","0.04","100.01","0.1","100.01","0.1","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","","","- C68 H50 Ho2 -","- C68 H50 Ho2 -","- C136 H100 Ho4 -","2","0.5","","Pieper, Martin; Lamm, Jan-Hendrik; Neumann, Beate; Stammler, Hans-Georg; Mitzel, Norbert W.","Methylene-bridged, intramolecular donor-acceptor systems based on rare-earth metals and phosphinomethanides.","Dalton transactions (Cambridge, England : 2003)","2017","46","16","5326","5336","10.1039/c7dt00554g","","x-ray","1.54184","CuKα","","0.0489","0.0476","","","0.1171","0.1184","","","","","","1.129","","","","has coordinates,has disorder","196417","2020-10-21","18:00:00",""
"7042570","8.55473","0.00013","10.2902","0.00012","16.2245","0.0002","90","","100.158","0.0015","90","","1405.85","0.03","100","0.11","100","0.11","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","","","- C36 H30 Ho2 -","- C36 H30 Ho2 -","- C72 H60 Ho4 -","2","0.5","","Pieper, Martin; Lamm, Jan-Hendrik; Neumann, Beate; Stammler, Hans-Georg; Mitzel, Norbert W.","Methylene-bridged, intramolecular donor-acceptor systems based on rare-earth metals and phosphinomethanides.","Dalton transactions (Cambridge, England : 2003)","2017","46","16","5326","5336","10.1039/c7dt00554g","","x-ray","0.71073","MoKα","","0.025","0.022","","","0.0547","0.057","","","","","","1.181","","","","has coordinates","196417","2020-10-21","18:00:00",""
"7042571","18.208","0.007","18.107","0.007","13.661","0.005","90","","105.237","0.005","90","","4346","3","123","2","123","2","","","","","","","","8","P 1 21/c 1","-P 2ybc","14","","","","- C41 H31 Cl3 F10 Ir N4 O4 P -","- C41 H31 Cl3 F10 Ir N4 O4 P -","- C164 H124 Cl12 F40 Ir4 N16 O16 P4 -","4","1","","Na, Hanah; Maity, Ayan; Teets, Thomas S.","Bis-cyclometalated iridium complexes with electronically modified aryl isocyanide ancillary ligands.","Dalton transactions (Cambridge, England : 2003)","2017","46","15","5008","5016","10.1039/c7dt00694b","","","0.71073","MoKα","","0.021","0.0182","","","0.0436","0.0449","","","","","","1.035","","","","has coordinates","196465","2020-10-21","18:00:00",""
"7042572","13.775","0.004","27.323","0.007","12.973","0.004","90","","97.656","0.004","90","","4839","2","123","2","123","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C48 H44 F10 Ir N6 O7 P -","- C48 H44 F10 Ir N6 O7 P -","- C192 H176 F40 Ir4 N24 O28 P4 -","4","1","","Na, Hanah; Maity, Ayan; Teets, Thomas S.","Bis-cyclometalated iridium complexes with electronically modified aryl isocyanide ancillary ligands.","Dalton transactions (Cambridge, England : 2003)","2017","46","15","5008","5016","10.1039/c7dt00694b","","","0.71073","MoKα","","0.0727","0.0452","","","0.1035","0.1156","","","","","","1.026","","","","has coordinates,has disorder","196465","2020-10-21","18:00:00",""
"7042573","11.9997","0.0009","17.0768","0.0014","49.214","0.004","90","","94.2283","0.001","90","","10057.3","1.4","123","2","123","2","","","","","","","","8","P 1 21/n 1","-P 2yn","14","","","","- C45.5 H23.5 Cl4.5 F18 Ir N4 P S2 -","- C45.5 H23.5 Cl4.5 F18 Ir N4 P S2 -","- C364 H188 Cl36 F144 Ir8 N32 P8 S16 -","8","2","","Na, Hanah; Maity, Ayan; Teets, Thomas S.","Bis-cyclometalated iridium complexes with electronically modified aryl isocyanide ancillary ligands.","Dalton transactions (Cambridge, England : 2003)","2017","46","15","5008","5016","10.1039/c7dt00694b","","","0.71073","MoKα","","0.0649","0.0586","","","0.1433","0.1482","","","","","","1.107","","","","has coordinates,has disorder","196465","2020-10-21","18:00:00",""
"7042574","13.174","0.005","16.708","0.007","19.544","0.008","90","","108.625","0.005","90","","4077","3","123","2","123","2","","","","","","","","9","P 1 n 1","P -2yac","7","","","","- C40.5 H25 Cl F6 Ir N6 O4 P S2 -","- C40.5 H25 Cl F6 Ir N6 O4 P S2 -","- C162 H100 Cl4 F24 Ir4 N24 O16 P4 S8 -","4","2","","Na, Hanah; Maity, Ayan; Teets, Thomas S.","Bis-cyclometalated iridium complexes with electronically modified aryl isocyanide ancillary ligands.","Dalton transactions (Cambridge, England : 2003)","2017","46","15","5008","5016","10.1039/c7dt00694b","","","0.71073","MoKα","","0.0282","0.0264","","","0.0628","0.0637","","","","","","1.038","","","","has coordinates,has disorder","196465","2020-10-21","18:00:00",""
"7042575","10.258","0.0001","34.9966","0.0005","29.4055","0.0004","90","","105.104","0.001","90","","10191.8","0.2","173","2","173","2","","","","","","","","9","P 1 21/c 1","-P 2ybc","14","AG121","","","- C94 H83 Ag3 B Cl4 F4 N3 O3 P6 -","- C94 H83 Ag3 B Cl4 F4 N3 O3 P6 -","- C376 H332 Ag12 B4 Cl16 F16 N12 O12 P24 -","4","1","","Ghisolfi, Alessio; Fliedel, Christophe; de Frémont, Pierre; Braunstein, Pierre","Mono- and polynuclear Ag(i) complexes of N-functionalized bis(diphenylphosphino)amine DPPA-type ligands: synthesis, solid-state structures and reactivity.","Dalton transactions (Cambridge, England : 2003)","2017","46","17","5571","5586","10.1039/c6dt04755f","","x-ray","0.71073","MoKα","","0.1276","0.0793","","","0.2433","0.263","","","","","","1.073","","","","has coordinates","196408","2020-10-21","18:00:00",""
"7042576","11.2883","0.0002","23.0676","0.0004","27.7279","0.0003","90","","101.891","0.001","90","","7065.23","0.19","173","2","173","2","","","","","","","","8","P 1 21/c 1","-P 2ybc","14","AG125","","","- C74 H78 Ag2 B2 F8 N2 O5 P4 -","- C74 H78 Ag2 B2 F8 N2 O5 P4 -","- C296 H312 Ag8 B8 F32 N8 O20 P16 -","4","1","","Ghisolfi, Alessio; Fliedel, Christophe; de Frémont, Pierre; Braunstein, Pierre","Mono- and polynuclear Ag(i) complexes of N-functionalized bis(diphenylphosphino)amine DPPA-type ligands: synthesis, solid-state structures and reactivity.","Dalton transactions (Cambridge, England : 2003)","2017","46","17","5571","5586","10.1039/c6dt04755f","","x-ray","0.71073","MoKα","","0.1013","0.0621","","","0.1233","0.1352","","","","","","1.023","","","","has coordinates,has disorder","196408","2020-10-21","18:00:00",""
"7042577","11.947","0.0002","11.947","0.0002","41.0063","0.0007","90","","90","","90","","5852.86","0.17","173","2","173","2","","","","","","","","8","P 43","P 4cw","78","","","","- C62 H54 Ag B F4 N2 P4 S2 -","- C62 H54 Ag B F4 N2 P4 S2 -","- C248 H216 Ag4 B4 F16 N8 P16 S8 -","4","1","","Ghisolfi, Alessio; Fliedel, Christophe; de Frémont, Pierre; Braunstein, Pierre","Mono- and polynuclear Ag(i) complexes of N-functionalized bis(diphenylphosphino)amine DPPA-type ligands: synthesis, solid-state structures and reactivity.","Dalton transactions (Cambridge, England : 2003)","2017","46","17","5571","5586","10.1039/c6dt04755f","","","0.71073","MoKα","","0.1258","0.0571","","","0.125","0.1688","","","","","","1.035","","","","has coordinates","196408","2020-10-21","18:00:00",""
"7042578","17.893","0.005","19.791","0.005","17.617","0.005","90","","90","","90","","6239","3","298","2","298","2","","","","","","","","8","P b c n","-P 2n 2ab","60","","","","- C62 H54 Ag2 B2 F8 N2 P4 S2 -","- C62 H54 Ag2 B2 F8 N2 P4 S2 -","- C248 H216 Ag8 B8 F32 N8 P16 S8 -","4","0.5","","Ghisolfi, Alessio; Fliedel, Christophe; de Frémont, Pierre; Braunstein, Pierre","Mono- and polynuclear Ag(i) complexes of N-functionalized bis(diphenylphosphino)amine DPPA-type ligands: synthesis, solid-state structures and reactivity.","Dalton transactions (Cambridge, England : 2003)","2017","46","17","5571","5586","10.1039/c6dt04755f","","x-ray","0.71069","MoKα","","0.1121","0.0665","","","0.1414","0.1574","","","","","","1.058","","","","has coordinates,has disorder","196408","2020-10-21","18:00:00",""
"7042579","22.5824","0.0007","23.1008","0.0007","21.1189","0.0007","90","","116.239","0.001","90","","9881.9","0.5","173","2","173","2","","","","","","","","8","P 1 21/c 1","-P 2ybc","14","","","","- C93 H81 Ag3 B Cl8 F4 N3 P6 -","- C93 H81 Ag3 B Cl8 F4 N3 P6 -","- C372 H324 Ag12 B4 Cl32 F16 N12 P24 -","4","1","","Ghisolfi, Alessio; Fliedel, Christophe; de Frémont, Pierre; Braunstein, Pierre","Mono- and polynuclear Ag(i) complexes of N-functionalized bis(diphenylphosphino)amine DPPA-type ligands: synthesis, solid-state structures and reactivity.","Dalton transactions (Cambridge, England : 2003)","2017","46","17","5571","5586","10.1039/c6dt04755f","","","0.71073","MoKα","","0.0903","0.054","","","0.1305","0.1464","","","","","","1.048","","","","has coordinates","196408","2020-10-21","18:00:00",""
"7042580","19.6121","0.0004","17.036","0.0003","17.8281","0.0002","90","","90","","90","","5956.58","0.17","173","2","173","2","","","","","","","","8","P b c n","-P 2n 2ab","60","","","","- C62 H54 Ag2 B2 F8 N2 O2 P4 -","- C62 H54 Ag2 B2 F8 N2 O2 P4 -","- C248 H216 Ag8 B8 F32 N8 O8 P16 -","4","0.5","","Ghisolfi, Alessio; Fliedel, Christophe; de Frémont, Pierre; Braunstein, Pierre","Mono- and polynuclear Ag(i) complexes of N-functionalized bis(diphenylphosphino)amine DPPA-type ligands: synthesis, solid-state structures and reactivity.","Dalton transactions (Cambridge, England : 2003)","2017","46","17","5571","5586","10.1039/c6dt04755f","","x-ray","0.71073","MoKα","","0.1095","0.0953","","","0.2609","0.274","","","","","","1.033","","","","has coordinates,has disorder","196408","2020-10-21","18:00:00",""
"7042581","9.9021","0.0003","19.5151","0.0009","14.0811","0.0006","90","","99.519","0.002","90","","2683.57","0.19","173","2","173","2","","","","","","","","7","P 1 21 1","P 2yb","4","","","","- C60 H50 Ag B F4 N2 P4 -","- C60 H50 Ag B F4 N2 P4 -","- C120 H100 Ag2 B2 F8 N4 P8 -","2","1","","Ghisolfi, Alessio; Fliedel, Christophe; de Frémont, Pierre; Braunstein, Pierre","Mono- and polynuclear Ag(i) complexes of N-functionalized bis(diphenylphosphino)amine DPPA-type ligands: synthesis, solid-state structures and reactivity.","Dalton transactions (Cambridge, England : 2003)","2017","46","17","5571","5586","10.1039/c6dt04755f","","x-ray","0.71073","MoKα","","0.1098","0.0755","","","0.1198","0.13","","","","","","1.049","","","","has coordinates,has disorder","196408","2020-10-21","18:00:00",""
"7042582","26.182","0.003","32.129","0.004","27.678","0.003","90","","93.992","0.002","90","","23226","5","296","2","296.15","","","","","","","","","7","C 1 2/c 1","-C 2yc","15","","","","- C36 H116 La N9 O126 P4 W34 -","- C36 H108 La N9 O126 P4 W34 -","- C144 H432 La4 N36 O504 P16 W136 -","4","0.5","","Wan, Rong; Ma, Pengtao; Han, Mengdan; Zhang, Dongdi; Zhang, Chao; Niu, Jingyang; Wang, Jingping","Discovery and isolation of the trans-isomers of two 1 : 2-type lanthanide-containing monolacunary Dawson-type tungstophosphates: [Ln(III)(α2-P2W17O61)2](17-) (Ln = La, Ce).","Dalton transactions (Cambridge, England : 2003)","2017","46","16","5398","5405","10.1039/c7dt00250e","","","0.71073","MoKα","","0.1378","0.0845","","","0.1926","0.2196","","","","","","1.085","","","","has coordinates,has disorder","196424","2020-10-21","18:00:00",""
"7042583","26.1944","0.0013","32.1245","0.0015","27.6417","0.0013","90","","94.088","0.001","90","","23200.8","1.9","296","2","296.15","","","","","","","","","7","C 1 2/c 1","-C 2yc","15","","","","- C36 H116 Ce N9 O126 P4 W34 -","- C36 H108 Ce N9 O126 P4 W34 -","- C144 H432 Ce4 N36 O504 P16 W136 -","4","0.5","","Wan, Rong; Ma, Pengtao; Han, Mengdan; Zhang, Dongdi; Zhang, Chao; Niu, Jingyang; Wang, Jingping","Discovery and isolation of the trans-isomers of two 1 : 2-type lanthanide-containing monolacunary Dawson-type tungstophosphates: [Ln(III)(α2-P2W17O61)2](17-) (Ln = La, Ce).","Dalton transactions (Cambridge, England : 2003)","2017","46","16","5398","5405","10.1039/c7dt00250e","","","0.71073","MoKα","","0.085","0.047","","","0.1092","0.13","","","","","","1.026","","","","has coordinates,has disorder","196424","2020-10-21","18:00:00",""
"7042584","17.5123","0.0005","18.1004","0.0006","18.1084","0.0005","90","","92.118","0.002","90","","5736.1","0.3","150","0.1","150","0.1","","","","","","","","7","P 1 21 1","P 2yb","4","","","","- C114 H96 Br2 Cu6 O41 P4 Zn2 -","- C114 H90 Br2 Cu6 O41 P4 Zn2 -","- C228 H180 Br4 Cu12 O82 P8 Zn4 -","2","1","","Gil-Hernández, B; Calahorro, A. J.; Gili, P.; Sanchiz, J.","Effect of the apical ligand on the geometry and magnetic properties of copper(ii)/mesoxalate trinuclear units.","Dalton transactions (Cambridge, England : 2003)","2017","46","16","5260","5268","10.1039/c7dt00594f","","","1.54184","CuKα","","0.0916","0.0754","","","0.1853","0.2074","","","","","","1.031","","","","has coordinates","196427","2020-10-21","18:00:00",""
"7042585","16.217","0.0001","17.9831","0.0001","19.6402","0.0001","90","","90","","90","","5727.71","0.06","293","2","293","2","","","","","","","","7","P 21 21 21","P 2ac 2ab","19","","","","- C57 H47 Br Cu3 Mn O20 P2 -","- C57 H43 Br Cu3 Mn O20 P2 -","- C228 H172 Br4 Cu12 Mn4 O80 P8 -","4","1","","Gil-Hernández, B; Calahorro, A. J.; Gili, P.; Sanchiz, J.","Effect of the apical ligand on the geometry and magnetic properties of copper(ii)/mesoxalate trinuclear units.","Dalton transactions (Cambridge, England : 2003)","2017","46","16","5260","5268","10.1039/c7dt00594f","","","1.54184","CuKα","","0.0366","0.0354","","","0.0956","0.0968","","","","","","1.026","","","","has coordinates","196427","2020-10-21","18:00:00",""
"7042586","17.9181","0.0007","17.9181","0.0007","17.9181","0.0007","90","","90","","90","","5752.8","0.4","150","0.1","150","0.1","","","","","","","","7","P 21 3","P 2ac 2ab 3","198","","","","- C57 H43 Br Co Cu3 O18 P2 -","- C9 H3 Br Co Cu3 O18 -","- C36 H12 Br4 Co4 Cu12 O72 -","4","0.333333","","Gil-Hernández, B; Calahorro, A. J.; Gili, P.; Sanchiz, J.","Effect of the apical ligand on the geometry and magnetic properties of copper(ii)/mesoxalate trinuclear units.","Dalton transactions (Cambridge, England : 2003)","2017","46","16","5260","5268","10.1039/c7dt00594f","","","1.54184","CuKα","","0.0566","0.045","","","0.1155","0.1229","","","","","","1.065","","","","has coordinates","196427","2020-10-21","18:00:00",""
"7042587","23.0224","0.0003","14.3012","0.0001","28.463","0.0004","90","","113.744","0.002","90","","8578.1","0.2","150","2","150","1","","","","","","","","5","I 1 2/a 1","-I 2ya","15","","","","- C42 H68 N2 O4 Ti -","- C42 H68 N2 O4 Ti -","- C336 H544 N16 O32 Ti8 -","8","1","","McKeown, Paul; Brown-Humes, James; Davidson, Matthew G.; Mahon, Mary F.; Woodman, Timothy J.; Jones, Matthew D.","Ligands and complexes based on piperidine and their exploitation of the ring opening polymerisation of rac-lactide.","Dalton transactions (Cambridge, England : 2003)","2017","46","15","5048","5057","10.1039/c7dt00751e","","x-ray","1.54184","CuKα","","0.0458","0.0412","","","0.1099","0.1137","","","","","","1.055","","","","has coordinates,has disorder","196470","2020-10-21","18:00:00",""
"7042588","24.062","0.0006","15.1035","0.0003","30.6787","0.0008","90","","117.531","0.003","90","","9886.7","0.5","150","2","150","0.1","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C47 H79 N2 O4 Zr -","- C47 H79 N2 O4 Zr -","- C376 H632 N16 O32 Zr8 -","8","1","","McKeown, Paul; Brown-Humes, James; Davidson, Matthew G.; Mahon, Mary F.; Woodman, Timothy J.; Jones, Matthew D.","Ligands and complexes based on piperidine and their exploitation of the ring opening polymerisation of rac-lactide.","Dalton transactions (Cambridge, England : 2003)","2017","46","15","5048","5057","10.1039/c7dt00751e","","x-ray","0.71073","MoKα","","0.0552","0.0391","","","0.0913","0.1015","","","","","","1.057","","","","has coordinates,has disorder","196470","2020-10-21","18:00:00",""
"7042589","10.6847","0.0009","26.0458","0.0007","19.3381","0.0011","90","","100.316","0.007","90","","5294.6","0.6","150","2","150","0.1","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C56 H82 Mg N4 O2 -","- C56 H82 Mg N4 O2 -","- C224 H328 Mg4 N16 O8 -","4","1","","McKeown, Paul; Brown-Humes, James; Davidson, Matthew G.; Mahon, Mary F.; Woodman, Timothy J.; Jones, Matthew D.","Ligands and complexes based on piperidine and their exploitation of the ring opening polymerisation of rac-lactide.","Dalton transactions (Cambridge, England : 2003)","2017","46","15","5048","5057","10.1039/c7dt00751e","","x-ray","1.54184","CuKα","","0.0742","0.0685","","","0.1784","0.1828","","","","","","1.088","","","","has coordinates,has disorder","196470","2020-10-21","18:00:00",""
"7042590","9.7501","0.0003","14.1972","0.0004","19.0565","0.0007","76.731","0.003","80.759","0.003","71.707","0.003","2426.49","0.14","150","2","150","0.1","","","","","","","","5","P -1","-P 1","2","","","","- C48 H80 N4 O4 Ti -","- C48 H80 N4 O4 Ti -","- C96 H160 N8 O8 Ti2 -","2","1","","McKeown, Paul; Brown-Humes, James; Davidson, Matthew G.; Mahon, Mary F.; Woodman, Timothy J.; Jones, Matthew D.","Ligands and complexes based on piperidine and their exploitation of the ring opening polymerisation of rac-lactide.","Dalton transactions (Cambridge, England : 2003)","2017","46","15","5048","5057","10.1039/c7dt00751e","","x-ray","1.54184","CuKα","","0.0429","0.0398","","","0.1068","0.1091","","","","","","1.034","","","","has coordinates,has disorder","196470","2020-10-21","18:00:00",""
"7042591","11.32","0.0004","11.4648","0.0005","18.7325","0.0007","78.072","0.003","72.528","0.003","76.808","0.003","2232.65","0.16","150","2","150","0.1","","","","","","","","5","P -1","-P 1","2","","","","- C44 H72 N2 O4 Zr -","- C44 H72 N2 O4 Zr -","- C88 H144 N4 O8 Zr2 -","2","1","","McKeown, Paul; Brown-Humes, James; Davidson, Matthew G.; Mahon, Mary F.; Woodman, Timothy J.; Jones, Matthew D.","Ligands and complexes based on piperidine and their exploitation of the ring opening polymerisation of rac-lactide.","Dalton transactions (Cambridge, England : 2003)","2017","46","15","5048","5057","10.1039/c7dt00751e","","x-ray","1.54184","CuKα","","0.0408","0.0357","","","0.0974","0.0987","","","","","","1.011","","","","has coordinates","206958","2020-10-21","18:00:00",""
"7042592","10.4459","0.0005","30.1019","0.0004","14.9279","0.0003","90","","103.009","0.003","90","","4573.5","0.3","150","2","150","0.1","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C48 H68 N4 O4 Ti -","- C48 H68 N4 O4 Ti -","- C192 H272 N16 O16 Ti4 -","4","1","","McKeown, Paul; Brown-Humes, James; Davidson, Matthew G.; Mahon, Mary F.; Woodman, Timothy J.; Jones, Matthew D.","Ligands and complexes based on piperidine and their exploitation of the ring opening polymerisation of rac-lactide.","Dalton transactions (Cambridge, England : 2003)","2017","46","15","5048","5057","10.1039/c7dt00751e","","x-ray","1.54184","CuKα","","0.0412","0.04","","","0.1064","0.1073","","","","","","1.036","","","","has coordinates","196470","2020-10-21","18:00:00",""
"7042593","11.6663","0.0004","13.5176","0.0005","14.0421","0.0004","100.146","0.003","92.922","0.002","107.314","0.003","2068.41","0.13","150","2","150.01","0.1","","","","","","","","5","P -1","-P 1","2","","","","- C42 H70 N2 O4 Ti -","- C42 H70 N2 O4 Ti -","- C84 H140 N4 O8 Ti2 -","2","1","","McKeown, Paul; Brown-Humes, James; Davidson, Matthew G.; Mahon, Mary F.; Woodman, Timothy J.; Jones, Matthew D.","Ligands and complexes based on piperidine and their exploitation of the ring opening polymerisation of rac-lactide.","Dalton transactions (Cambridge, England : 2003)","2017","46","15","5048","5057","10.1039/c7dt00751e","","x-ray","1.54184","CuKα","","0.0437","0.0395","","","0.1062","0.1093","","","","","","1.017","","","","has coordinates","196470","2020-10-21","18:00:00",""
"7042594","9.7777","0.0002","14.346","0.0003","19.2145","0.0006","76.662","0.002","81.066","0.002","71.741","0.002","2480.42","0.11","150","2","150.01","0.1","","","","","","","","5","P -1","-P 1","2","","","","- C48 H80 N4 O4 Zr -","- C48 H80 N4 O4 Zr -","- C96 H160 N8 O8 Zr2 -","2","1","","McKeown, Paul; Brown-Humes, James; Davidson, Matthew G.; Mahon, Mary F.; Woodman, Timothy J.; Jones, Matthew D.","Ligands and complexes based on piperidine and their exploitation of the ring opening polymerisation of rac-lactide.","Dalton transactions (Cambridge, England : 2003)","2017","46","15","5048","5057","10.1039/c7dt00751e","","x-ray","1.54184","CuKα","","0.0326","0.0292","","","0.0734","0.0752","","","","","","1.056","","","","has coordinates,has disorder","196470","2020-10-21","18:00:00",""
"7042595","24.045","0.0002","24.045","0.0002","14.5399","0.0002","90","","90","","90","","8406.42","0.15","150","2","150","0.1","","","","","","","","5","I -4 2 d","I -4 2bw","122","","","","- C21 H33 N2 O Zn0.5 -","- C21 H33 N2 O Zn0.5 -","- C336 H528 N32 O16 Zn8 -","16","1","","McKeown, Paul; Brown-Humes, James; Davidson, Matthew G.; Mahon, Mary F.; Woodman, Timothy J.; Jones, Matthew D.","Ligands and complexes based on piperidine and their exploitation of the ring opening polymerisation of rac-lactide.","Dalton transactions (Cambridge, England : 2003)","2017","46","15","5048","5057","10.1039/c7dt00751e","","x-ray","1.54184","CuKα","","0.0283","0.0259","","","0.0657","0.067","","","","","","1.032","","","","has coordinates,has disorder","196470","2020-10-21","18:00:00",""
"7042596","19.233","0.006","19.034","0.006","12.202","0.004","90","","122.796","0.003","90","","3755","2","100","2","100","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C34 H38 Cl2 N4 O4 U -","- C34 H38 Cl2 N4 O4 U -","- C136 H152 Cl8 N16 O16 U4 -","4","0.5","","Stobbe, Brian C.; Powell, Douglas R.; Thomson, Robert K.","Schiff base thorium(iv) and uranium(iv) chloro complexes: synthesis, substitution and oxidation chemistry.","Dalton transactions (Cambridge, England : 2003)","2017","46","15","4888","4892","10.1039/c7dt00580f","","","0.71073","MoKα","","0.0713","0.0424","","","0.1118","0.1424","","","","","","1.02","","","","has coordinates","196471","2020-10-21","18:00:00",""
"7042597","16.806","0.013","14.283","0.011","15.268","0.012","90","","92.515","0.014","90","","3661","5","100","2","100","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C39 H43 Cl2 N5 O4 Th -","- C39 H43 Cl2 N5 O4 Th -","- C156 H172 Cl8 N20 O16 Th4 -","4","1","","Stobbe, Brian C.; Powell, Douglas R.; Thomson, Robert K.","Schiff base thorium(iv) and uranium(iv) chloro complexes: synthesis, substitution and oxidation chemistry.","Dalton transactions (Cambridge, England : 2003)","2017","46","15","4888","4892","10.1039/c7dt00580f","","","0.71073","MoKα","","0.1747","0.1052","","","0.1978","0.2203","","","","","","1.071","","","","has coordinates","196471","2020-10-21","18:00:00",""
"7042598","16.872","0.004","15.338","0.003","15.062","0.003","90","","93.301","0.002","90","","3891.3","1.4","100","2","100","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C34 H38 N10 O4 U -","- C34 H38 N10 O4 U -","- C136 H152 N40 O16 U4 -","4","1","","Stobbe, Brian C.; Powell, Douglas R.; Thomson, Robert K.","Schiff base thorium(iv) and uranium(iv) chloro complexes: synthesis, substitution and oxidation chemistry.","Dalton transactions (Cambridge, England : 2003)","2017","46","15","4888","4892","10.1039/c7dt00580f","","","0.71073","MoKα","","0.078","0.0468","","","0.1132","0.1202","","","","","","1.001","","","","has coordinates","196471","2020-10-21","18:00:00",""
"7042599","9.572","0.005","13.791","0.007","16.103","0.002","76.878","0.002","86.987","0.002","71.973","0.002","1968.2","1.5","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","","","- C41 H46 N10 O4 U -","- C41 H46 N10 O4 U -","- C82 H92 N20 O8 U2 -","2","1","","Stobbe, Brian C.; Powell, Douglas R.; Thomson, Robert K.","Schiff base thorium(iv) and uranium(iv) chloro complexes: synthesis, substitution and oxidation chemistry.","Dalton transactions (Cambridge, England : 2003)","2017","46","15","4888","4892","10.1039/c7dt00580f","","","0.71073","MoKα","","0.0616","0.042","","","0.0891","0.0945","","","","","","0.99","","","","has coordinates,has disorder","196471","2020-10-21","18:00:00",""
"7042600","27.313","0.004","9.2102","0.0013","26.618","0.004","90","","97.694","0.002","90","","6635.7","1.7","295","2","295","2","","","","","","","","7","C 1 2/c 1","-C 2yc","15","","","","- C30 H33 Cl3 D N3 O6 U -","- C30 H33 Cl3 D N3 O6 U -","- C240 H264 Cl24 D8 N24 O48 U8 -","8","1","","Stobbe, Brian C.; Powell, Douglas R.; Thomson, Robert K.","Schiff base thorium(iv) and uranium(iv) chloro complexes: synthesis, substitution and oxidation chemistry.","Dalton transactions (Cambridge, England : 2003)","2017","46","15","4888","4892","10.1039/c7dt00580f","","","0.71073","MoKα","","0.0505","0.0355","","","0.0931","0.1016","","","","","","0.977","","","","has coordinates,has disorder","196471","2020-10-21","18:00:00",""
"7042601","16.3718","0.0005","7.9713","0.0003","30.9027","0.0012","90","","90","","90","","4032.9","0.3","173","1","173","1","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C30 H43 Dy2 O27.5 -","- C30 H40 Dy2 O27.5 -","- C120 H160 Dy8 O110 -","4","0.5","","Boča, R; Stolárová, M; Falvello, L. R.; Tomás, M; Titiš, J; Černák, J","Slow magnetic relaxations in a ladder-type Dy(iii) complex and its dinuclear analogue.","Dalton transactions (Cambridge, England : 2003)","2017","46","16","5344","5351","10.1039/c7dt00069c","","x-ray","0.71073","MoKα","","0.0584","0.0387","","","0.0762","0.0822","","","","","","1.129","","","","has coordinates,has disorder","196421","2020-10-21","18:00:00",""
"7042602","34.0219","0.0007","12.6029","0.0003","8.29345","0.00014","90","","90","","90","","3556.02","0.13","173","1","173","1","","","","","","","","4","P b c n","-P 2n 2ab","60","","{[Dy2(PDOA)3(H2O)6]?2H2O}n","","- C15 H20 Dy O13 -","- C15 H20 Dy O13 -","- C120 H160 Dy8 O104 -","8","1","","Boča, R; Stolárová, M; Falvello, L. R.; Tomás, M; Titiš, J; Černák, J","Slow magnetic relaxations in a ladder-type Dy(iii) complex and its dinuclear analogue.","Dalton transactions (Cambridge, England : 2003)","2017","46","16","5344","5351","10.1039/c7dt00069c","","","0.71073","MoKα","","0.0218","0.0194","","","0.0427","0.0438","","","","","","1.045","","","","has coordinates","196421","2020-10-21","18:00:00",""
"7042603","14.1141","0.0003","16.4924","0.0003","17.4915","0.0003","90","","105.647","0.002","90","","3920.7","0.13","293","2","293","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C43 H40 Cu2 N4 O6 -","- C43 H32 Cu2 N4 O6 -","- C172 H128 Cu8 N16 O24 -","4","1","","Paitandi, Rajendra Prasad; Singh, Roop Shikha; Mukhopadhyay, Sujay; Kumar, Ashish; Pandey, Daya Shankar","Spacer length dependent architectural diversity in bis-dipyrrin copper(ii) complexes.","Dalton transactions (Cambridge, England : 2003)","2017","46","16","5420","5430","10.1039/c7dt00107j","","","1.54184","CuKα","","0.1322","0.1023","","","0.3137","0.3495","","","","","","1.244","","","","has coordinates","196423","2020-10-21","18:00:00",""
"7042604","9.531","0.005","16.488","0.009","16.546","0.009","61.418","0.014","88.048","0.014","79.414","0.014","2240","2","301","2","301","2","","","","","","","","6","P -1","-P 1","2","","","","- C44 H48 N6 Ni2 O2 S4 -","- C44 H48 N6 Ni2 O2 S4 -","- C88 H96 N12 Ni4 O4 S8 -","2","1","","Paitandi, Rajendra Prasad; Singh, Roop Shikha; Mukhopadhyay, Sujay; Kumar, Ashish; Pandey, Daya Shankar","Spacer length dependent architectural diversity in bis-dipyrrin copper(ii) complexes.","Dalton transactions (Cambridge, England : 2003)","2017","46","16","5420","5430","10.1039/c7dt00107j","","","0.71073","MoKα","","0.1436","0.0619","","","0.1189","0.1493","","","","","","1.024","","","","has coordinates","196423","2020-10-21","18:00:00",""
"7042605","25.9984","0.001","9.3703","0.0002","28.3965","0.0008","90","","105.343","0.003","90","","6671.2","0.4","293","2","293","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C39 H38 Cu N4 O2 -","- C39 H38 Cu N4 O2 -","- C312 H304 Cu8 N32 O16 -","8","1","","Paitandi, Rajendra Prasad; Singh, Roop Shikha; Mukhopadhyay, Sujay; Kumar, Ashish; Pandey, Daya Shankar","Spacer length dependent architectural diversity in bis-dipyrrin copper(ii) complexes.","Dalton transactions (Cambridge, England : 2003)","2017","46","16","5420","5430","10.1039/c7dt00107j","","","0.71073","MoKα","","0.1219","0.0628","","","0.1247","0.1611","","","","","","1.039","","","","has coordinates","196423","2020-10-21","18:00:00",""
"7042606","7.2758","0.0002","14.6438","0.0006","18.4718","0.0008","90","","91.516","0.003","90","","1967.4","0.13","273","2","273","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C22 H21 Cu N2 O3 -","- C22 H21 Cu N2 O3 -","- C88 H84 Cu4 N8 O12 -","4","1","","Paitandi, Rajendra Prasad; Singh, Roop Shikha; Mukhopadhyay, Sujay; Kumar, Ashish; Pandey, Daya Shankar","Spacer length dependent architectural diversity in bis-dipyrrin copper(ii) complexes.","Dalton transactions (Cambridge, England : 2003)","2017","46","16","5420","5430","10.1039/c7dt00107j","","x-ray","0.71073","MoKα","","0.1732","0.0631","","","0.1494","0.2148","","","","","","0.981","","","","has coordinates","196423","2020-10-21","18:00:00",""
"7042607","14.9525","0.0003","15.1818","0.0003","27.7558","0.0005","90","","90","","90","","6300.7","0.2","293","2","293","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C37 H34 Cu N4 O2 -","- C37 H34 Cu N4 O2 -","- C296 H272 Cu8 N32 O16 -","8","1","","Paitandi, Rajendra Prasad; Singh, Roop Shikha; Mukhopadhyay, Sujay; Kumar, Ashish; Pandey, Daya Shankar","Spacer length dependent architectural diversity in bis-dipyrrin copper(ii) complexes.","Dalton transactions (Cambridge, England : 2003)","2017","46","16","5420","5430","10.1039/c7dt00107j","","","0.71073","MoKα","","0.0741","0.0544","","","0.1378","0.1524","","","","","","1.029","","","","has coordinates","196423","2020-10-21","18:00:00",""
"7042608","8.9995","0.0017","14.841","0.003","26.069","0.005","90","","90","","90","","3481.8","1.2","293","2","293","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C40 H40 Cu N4 O2 -","- C40 H40 Cu N4 O2 -","- C160 H160 Cu4 N16 O8 -","4","1","","Paitandi, Rajendra Prasad; Singh, Roop Shikha; Mukhopadhyay, Sujay; Kumar, Ashish; Pandey, Daya Shankar","Spacer length dependent architectural diversity in bis-dipyrrin copper(ii) complexes.","Dalton transactions (Cambridge, England : 2003)","2017","46","16","5420","5430","10.1039/c7dt00107j","","","0.71073","MoKα","","0.3477","0.1298","","","0.146","0.1987","","","","","","1.063","","","","has coordinates","196423","2020-10-21","18:00:00",""
"7042609","16.4003","0.0019","14.5611","0.0018","19.366","0.002","90","","97.897","0.003","90","","4580.9","0.9","123","","123","","","","","","","","","6","P 1 21/n 1","-P 2yn","14","compound1b","Lithium Isopropoxytris(dimethylphenylsilyl)borate","","- C43 H72 B Li O5 Si3 -","- C43 H72 B Li O5 Si3 -","- C172 H288 B4 Li4 O20 Si12 -","4","1","","Tsurusaki, Akihiro; Yoshida, Keisuke; Kyushin, Soichiro","Synthesis and structures of lithium alkoxytris(dimethylphenylsilyl)borates","Dalton Trans.","2017","","","","","10.1039/C7DT00395A","","","0.71075","MoKα","","0.0695","0.0611","","","0.1747","0.1874","","","","","","1.068","","","","has coordinates,has disorder","194569","2020-10-21","18:00:00",""
"7042610","12.5945","0.0017","13.796","0.002","19.569","0.003","90","","90","","90","","3400.2","0.9","98","2","98","","","","","","","","","7","P 21 21 21","P 2ac 2ab","19","compound1a_TMEDA","Lithium Methoxytris(dimethylphenylsilyl)borate","","- C31 H52 B Li N2 O Si3 -","- C31 H52 B Li N2 O Si3 -","- C124 H208 B4 Li4 N8 O4 Si12 -","4","1","","Tsurusaki, Akihiro; Yoshida, Keisuke; Kyushin, Soichiro","Synthesis and structures of lithium alkoxytris(dimethylphenylsilyl)borates","Dalton Trans.","2017","","","","","10.1039/C7DT00395A","","","0.71075","MoKα","","0.0507","0.0396","","","0.0841","0.0888","","","","","","1.05","","","","has coordinates,has disorder","194569","2020-10-21","18:00:00",""
"7042611","11.216","0.002","20.479","0.004","30.789","0.005","90","","95.103","0.004","90","","7044","2","123","2","123","","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","compound1a","Lithium Methoxytris(dimethylphenylsilyl)borate","","- C33 H52 B Li O3 Si3 -","- C33 H52 B Li O3 Si3 -","- C264 H416 B8 Li8 O24 Si24 -","8","2","","Tsurusaki, Akihiro; Yoshida, Keisuke; Kyushin, Soichiro","Synthesis and structures of lithium alkoxytris(dimethylphenylsilyl)borates","Dalton Trans.","2017","","","","","10.1039/C7DT00395A","","","0.71075","MoKα","","0.1074","0.0985","","","0.2627","0.2678","","","","","","1.133","","","","has coordinates,has disorder","194569","2020-10-21","18:00:00",""
"7042612","8.4501","0.0006","7.2555","0.0007","7.4604","0.0008","90","","99.837","0.008","90","","450.67","0.07","","","483","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C Ba O3 P -","- C Ba O3 P -","- C4 Ba4 O12 P4 -","4","1","","Melánová, Klára; Beneš, Ludvík; Svoboda, Jan; Zima, Vítězslav; Vlček, Milan; Trchová, Miroslava","Synthesis and characterization of new barium methylphosphonates.","Dalton transactions (Cambridge, England : 2003)","2017","46","16","5363","5372","10.1039/c7dt00492c","powder diffraction","x-ray","1.5405","CuKα","","","","","","","","0.13952","","1.28","","","","","","","has coordinates","196419","2020-10-21","18:00:00",""
"7042613","20.5077","0.0005","7.21752","0.00021","7.49087","0.00025","90","","95.5216","0.003","90","","1103.61","0.06","","","298","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C Ba O4 P -","- C Ba O4 P -","- C8 Ba8 O32 P8 -","8","2","","Melánová, Klára; Beneš, Ludvík; Svoboda, Jan; Zima, Vítězslav; Vlček, Milan; Trchová, Miroslava","Synthesis and characterization of new barium methylphosphonates.","Dalton transactions (Cambridge, England : 2003)","2017","46","16","5363","5372","10.1039/c7dt00492c","powder diffraction","x-ray","1.5405","CuKα~1~","","","","","","","","0.10894","","3.78","","","","","","","has coordinates","196419","2020-10-21","18:00:00",""
"7042614","17.1457","0.0004","6.3087","0.0002","11.5051","0.0004","90","","115.424","0.002","90","","1123.95","0.06","296","2","296","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","manganesesulfite complex","","- C H2 Mn Na O6 S -","- C H2 Mn Na O6 S -","- C8 H16 Mn8 Na8 O48 S8 -","8","1","","Behera, Jogendra Nath; Tiwari, Ranjay K.","Organic‒inorganic hybrid Three-Dimensional Metal Sulfite- Oxalate with honeycomb-like structures","Dalton Trans.","2017","","","","","10.1039/C7DT00477J","","","0.71073","MoKα","","0.0248","0.0236","","","0.055","0.0554","","","","","","1.161","","","","has coordinates","194571","2020-10-21","18:00:00",""
"7042615","6.2787","0.0003","8.4948","0.0004","9.4543","0.0004","89.165","0.003","72.524","0.002","69.15","0.002","447.07","0.04","100","2","100","2","","","","","","","","6","P -1","-P 1","2","","europium sulfite complex","","- C2 H6 Eu Na O10 S -","- C2 H6 Eu Na O10 S -","- C4 H12 Eu2 Na2 O20 S2 -","2","1","","Behera, Jogendra Nath; Tiwari, Ranjay K.","Organic‒inorganic hybrid Three-Dimensional Metal Sulfite- Oxalate with honeycomb-like structures","Dalton Trans.","2017","","","","","10.1039/C7DT00477J","","","0.71073","MoKα","","0.017","0.0162","","","0.0371","0.0375","","","","","","1.081","","","","has coordinates","194571","2020-10-21","18:00:00",""
"7042616","14.0607","0.0008","14.0829","0.0007","14.2229","0.0007","110.791","0.005","104.661","0.005","99.32","0.004","2446.5","0.3","223","2","223","2","","","","","","","","5","P -1","-P 1","2","","","","- C52 H71 Al N2 O6 -","- C52 H71 Al N2 O6 -","- C104 H142 Al2 N4 O12 -","2","1","","Xu, Ya; Yuan, Dan; Wang, Yaorong; Yao, Yingming","Aluminum complexes derived from a hexadentate salen-type Schiff base: synthesis, structure, and catalysis for cyclic carbonate synthesis","Dalton Trans.","2017","","","","","10.1039/C7DT00789B","","","0.71073","MoKα","","0.1349","0.0875","","","0.24","0.2831","","","","","","1.049","","","","has coordinates,has disorder","194572","2020-10-21","18:00:00",""
"7042617","16.3401","0.0008","16.345","0.0007","18.5163","0.0008","92.953","0.004","111.549","0.004","92.257","0.004","4584.5","0.4","223","2","223","2","","","","","","","","5","P -1","-P 1","2","","","","- C187 H243 Al4 N8 O17 -","- C187 H236 Al4 N8 O17 -","- C187 H236 Al4 N8 O17 -","1","0.5","","Xu, Ya; Yuan, Dan; Wang, Yaorong; Yao, Yingming","Aluminum complexes derived from a hexadentate salen-type Schiff base: synthesis, structure, and catalysis for cyclic carbonate synthesis","Dalton Trans.","2017","","","","","10.1039/C7DT00789B","","","0.71073","MoKα","","0.1697","0.0896","","","0.243","0.2857","","","","","","1.022","","","","has coordinates,has disorder","194572","2020-10-21","18:00:00",""
"7042618","23.47","0.002","14.8888","0.0011","33.879","0.003","90","","103.819","0.008","90","","11496","1.7","223","2","223","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C118 H170 Al2 N4 O15 -","- C118 H154 Al2 N4 O15 -","- C472 H616 Al8 N16 O60 -","4","0.5","","Xu, Ya; Yuan, Dan; Wang, Yaorong; Yao, Yingming","Aluminum complexes derived from a hexadentate salen-type Schiff base: synthesis, structure, and catalysis for cyclic carbonate synthesis","Dalton Trans.","2017","","","","","10.1039/C7DT00789B","","","0.71073","MoKα","","0.1816","0.1189","","","0.3314","0.375","","","","","","1.184","","","","has coordinates,has disorder","194572","2020-10-21","18:00:00",""
"7042619","13.3001","0.0011","12.6959","0.001","13.931","0.0012","90","","90","","90","","2352.3","0.3","295","2","295","2","","","","","","","","7","P n m a","-P 2ac 2n","62","","","","- C19 H27 Cl F6 Ir N4 P -","- C19 H27 Cl F6 Ir N4 P -","- C76 H108 Cl4 F24 Ir4 N16 P4 -","4","0.5","","Wang, Chuanlan; Liu, Jinfeng; Tian, Zhenzhen; Tian, Meng; Tian, Laijin; Zhao, Wenqian; Liu, Zhe","Half-Sandwich Iridium N-Heterocyclic Carbene Anticancer Complexes","Dalton Trans.","2017","","","","","10.1039/C7DT00575J","","","0.71073","MoKα","","0.0271","0.0249","","","0.0661","0.0671","","","","","","1.069","","","","has coordinates","194614","2020-10-21","18:00:00",""
"7042620","14.7275","0.001","15.8732","0.0011","14.1827","0.001","90","","95.017","0.001","90","","3302.8","0.4","295","2","295","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C30 H41 Cl F6 Ir N4 P -","- C30 H41 Cl F6 Ir N4 P -","- C120 H164 Cl4 F24 Ir4 N16 P4 -","4","1","","Wang, Chuanlan; Liu, Jinfeng; Tian, Zhenzhen; Tian, Meng; Tian, Laijin; Zhao, Wenqian; Liu, Zhe","Half-Sandwich Iridium N-Heterocyclic Carbene Anticancer Complexes","Dalton Trans.","2017","","","","","10.1039/C7DT00575J","","","0.71073","MoKα","","0.0412","0.0312","","","0.0769","0.0816","","","","","","1.029","","","","has coordinates","194614","2020-10-21","18:00:00",""
"7042621","36.33","0.003","12.0396","0.0011","13.858","0.0012","90","","102.962","0.002","90","","5907","0.9","295","2","295","2","","","","","","","","7","C 1 2/c 1","-C 2yc","15","","","","- C29 H31 Cl F6 Ir N4 P -","- C29 H31 Cl F6 Ir N4 P -","- C232 H248 Cl8 F48 Ir8 N32 P8 -","8","1","","Wang, Chuanlan; Liu, Jinfeng; Tian, Zhenzhen; Tian, Meng; Tian, Laijin; Zhao, Wenqian; Liu, Zhe","Half-Sandwich Iridium N-Heterocyclic Carbene Anticancer Complexes","Dalton Trans.","2017","","","","","10.1039/C7DT00575J","","","0.71073","MoKα","","0.0467","0.04","","","0.1057","0.1112","","","","","","1.035","","","","has coordinates","206958","2020-10-21","18:00:00",""
"7042622","18.646","0.003","17.433","0.002","10.6572","0.0015","90","","95.384","0.002","90","","3448.9","0.8","173","","173","","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C34 H26 N4 O4 Te4 -","- C34 H26 N4 O4 Te4 -","- C136 H104 N16 O16 Te16 -","4","0.5","","Ho, Peter Cheng-Wei; Rafique, Jamal; Lee, Jiwon; Lee, Myongwon Lucia; Jenkins, Hilary A.; Britten, James F.; Braga, Antonio Luiz; Vargas-Baca, Ignacio","Synthesis and Structural Characterisation of the Aggregates of Benzo-1,2-Chalcogenazole 2-Oxides","Dalton Trans.","2017","","","","","10.1039/C7DT00612H","","","0.71073","MoKα","","0.0697","0.041","","","0.082","0.0917","","","","","","1.036","","","","has coordinates","194716","2020-10-21","18:00:00",""
"7042623","7.3324","0.0009","8.0016","0.001","11.8324","0.0015","90","","90","","90","","694.22","0.15","100","","100","","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C7 H5 N O Se -","- C7 H5 N O Se -","- C28 H20 N4 O4 Se4 -","4","1","","Ho, Peter Cheng-Wei; Rafique, Jamal; Lee, Jiwon; Lee, Myongwon Lucia; Jenkins, Hilary A.; Britten, James F.; Braga, Antonio Luiz; Vargas-Baca, Ignacio","Synthesis and Structural Characterisation of the Aggregates of Benzo-1,2-Chalcogenazole 2-Oxides","Dalton Trans.","2017","","","","","10.1039/C7DT00612H","","","0.71073","MoKα","","0.04","0.0351","","","0.0859","0.0876","","","","","","1.059","","","","has coordinates","194716","2020-10-21","18:00:00",""
"7042624","7.225","0.0002","8.7915","0.0003","12.1257","0.0004","106.411","0.002","102.489","0.002","90.001","0.002","719.81","0.04","100","2","100.15","","","","","","","","","5","P -1","-P 1","2","","","","- C28 H20 N4 O4 Te4 -","- C28 H20 N4 O4 Te4 -","- C28 H20 N4 O4 Te4 -","1","0.5","","Ho, Peter Cheng-Wei; Rafique, Jamal; Lee, Jiwon; Lee, Myongwon Lucia; Jenkins, Hilary A.; Britten, James F.; Braga, Antonio Luiz; Vargas-Baca, Ignacio","Synthesis and Structural Characterisation of the Aggregates of Benzo-1,2-Chalcogenazole 2-Oxides","Dalton Trans.","2017","","","","","10.1039/C7DT00612H","","","0.71073","MoKα","","0.0299","0.0238","","","0.0637","0.0677","","","","","","1.009","","","","has coordinates","194716","2020-10-21","18:00:00",""
"7042625","14.4246","0.0007","14.4246","0.0007","21.3472","0.0012","90","","90","","120","","3846.6","0.3","100","2","100.15","","","","","","","","","6","P 31","P 31","144","","","","- C43.78 H34 Cl3.56 N6 O6.22 Te6 -","- C43.78 H34 Cl3.56 N6 O6.22 Te6 -","- C131.34 H102 Cl10.68 N18 O18.66 Te18 -","3","1","","Ho, Peter Cheng-Wei; Rafique, Jamal; Lee, Jiwon; Lee, Myongwon Lucia; Jenkins, Hilary A.; Britten, James F.; Braga, Antonio Luiz; Vargas-Baca, Ignacio","Synthesis and Structural Characterisation of the Aggregates of Benzo-1,2-Chalcogenazole 2-Oxides","Dalton Trans.","2017","","","","","10.1039/C7DT00612H","","","0.71073","MoKα","","0.0434","0.033","","","0.0644","0.0686","","","","","","1.031","","","","has coordinates,has disorder","194716","2020-10-21","18:00:00",""
"7042626","8.833","0.0008","15.6509","0.0015","21.6876","0.0017","90","","90","","90","","2998.2","0.5","100","2","100","2","","","","","","","","7","P 21 21 21","P 2ac 2ab","19","","complex of tris(2-pyridyl)phosphine with nickel hexafluoroacetylacetonate","","- C25 H16 F12 N3 Ni O6 P -","- C25 H16 F12 N3 Ni O6 P -","- C100 H64 F48 N12 Ni4 O24 P4 -","4","1","","Artem'ev, Alexander; Kashevskii, Alexey; Bogomyakov, Artem Stepanovich; Safronov, Alexander; Sutyrina, Anastasiya Sutyrina; Telezhkin, Anton; Sterkhova, Irina","Variable coordination of tris(2-pyridyl)phosphine and its oxide toward M(hfac)2: a metal-specifiable switching between the formation of mono- and bis-scorpionate complexes","Dalton Trans.","2017","","","","","10.1039/C7DT00339K","","","0.71073","MoKα","","0.047","0.0348","","","0.0707","0.0746","","","","","","1.049","","","","has coordinates,has disorder","194718","2020-10-21","18:00:00",""
"7042627","10.5909","0.0007","12.6726","0.0009","16.6408","0.0011","80.785","0.003","79.387","0.003","65.58","0.003","1990","0.2","100","2","100","2","","","","","","","","7","P -1","-P 1","2","","complex of tris(2-pyridyl)phosphine with manganese hexafluoroacetylacetonate","","- C66 H42 F36 Mn3 N6 O14 P2 -","- C66 H42 F36 Mn3 N6 O14 P2 -","- C66 H42 F36 Mn3 N6 O14 P2 -","1","0.5","","Artem'ev, Alexander; Kashevskii, Alexey; Bogomyakov, Artem Stepanovich; Safronov, Alexander; Sutyrina, Anastasiya Sutyrina; Telezhkin, Anton; Sterkhova, Irina","Variable coordination of tris(2-pyridyl)phosphine and its oxide toward M(hfac)2: a metal-specifiable switching between the formation of mono- and bis-scorpionate complexes","Dalton Trans.","2017","","","","","10.1039/C7DT00339K","","","0.71073","MoKα","","0.0738","0.0433","","","0.0848","0.0955","","","","","","1.019","","","","has coordinates,has disorder","194718","2020-10-21","18:00:00",""
"7042628","8.7336","0.0007","15.7594","0.0012","11.7574","0.0009","90","","111.126","0.003","90","","1509.5","0.2","296","2","296","2","","","","","","","","7","P 1 21 1","P 2yb","4","","","","- C25 H16 Co F12 N3 O6 P -","- C25 H16 Co F12 N3 O6 P -","- C50 H32 Co2 F24 N6 O12 P2 -","2","1","","Artem'ev, Alexander; Kashevskii, Alexey; Bogomyakov, Artem Stepanovich; Safronov, Alexander; Sutyrina, Anastasiya Sutyrina; Telezhkin, Anton; Sterkhova, Irina","Variable coordination of tris(2-pyridyl)phosphine and its oxide toward M(hfac)2: a metal-specifiable switching between the formation of mono- and bis-scorpionate complexes","Dalton Trans.","2017","","","","","10.1039/C7DT00339K","","","0.71073","MoKα","","0.0849","0.0484","","","0.082","0.091","","","","","","1.033","","","","has coordinates","194718","2020-10-21","18:00:00",""
"7042629","11.3926","0.0004","12.4104","0.0004","14.1878","0.0005","90","","95.902","0.001","90","","1995.33","0.12","100","2","100","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C40 H26 Cu F12 N6 O4 P2 -","- C40 H26 Cu F12 N6 O4 P2 -","- C80 H52 Cu2 F24 N12 O8 P4 -","2","0.5","","Artem'ev, Alexander; Kashevskii, Alexey; Bogomyakov, Artem Stepanovich; Safronov, Alexander; Sutyrina, Anastasiya Sutyrina; Telezhkin, Anton; Sterkhova, Irina","Variable coordination of tris(2-pyridyl)phosphine and its oxide toward M(hfac)2: a metal-specifiable switching between the formation of mono- and bis-scorpionate complexes","Dalton Trans.","2017","","","","","10.1039/C7DT00339K","","","0.71073","MoKα","","0.0545","0.0401","","","0.0962","0.1042","","","","","","1.039","","","","has coordinates","194718","2020-10-21","18:00:00",""
"7042630","12.5272","0.0011","15.4345","0.0014","14.5163","0.0012","90","","93.306","0.003","90","","2802.1","0.4","100","2","100","2","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C25 H14 Cu F12 N3 O4 P -","- C25 H14 Cu F12 N3 O4 P -","- C100 H56 Cu4 F48 N12 O16 P4 -","4","1","","Artem'ev, Alexander; Kashevskii, Alexey; Bogomyakov, Artem Stepanovich; Safronov, Alexander; Sutyrina, Anastasiya Sutyrina; Telezhkin, Anton; Sterkhova, Irina","Variable coordination of tris(2-pyridyl)phosphine and its oxide toward M(hfac)2: a metal-specifiable switching between the formation of mono- and bis-scorpionate complexes","Dalton Trans.","2017","","","","","10.1039/C7DT00339K","","","0.71073","MoKα","","0.0439","0.034","","","0.083","0.0881","","","","","","1.066","","","","has coordinates,has disorder","194718","2020-10-21","18:00:00",""
"7042631","12.515","0.002","15.165","0.003","14.627","0.003","90","","94.549","0.007","90","","2767.3","0.9","100","2","100","2","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C25 H14 Cu F12 N3 O5 P -","- C25 H14 Cu F12 N3 O5 P -","- C100 H56 Cu4 F48 N12 O20 P4 -","4","1","","Artem'ev, Alexander; Kashevskii, Alexey; Bogomyakov, Artem Stepanovich; Safronov, Alexander; Sutyrina, Anastasiya Sutyrina; Telezhkin, Anton; Sterkhova, Irina","Variable coordination of tris(2-pyridyl)phosphine and its oxide toward M(hfac)2: a metal-specifiable switching between the formation of mono- and bis-scorpionate complexes","Dalton Trans.","2017","","","","","10.1039/C7DT00339K","","","0.71073","MoKα","","0.0718","0.0544","","","0.1315","0.1424","","","","","","1.026","","","","has coordinates","194718","2020-10-21","18:00:00",""
"7042632","58.988","0.013","16.921","0.004","31.528","0.007","90","","116.242","0.01","90","","28226","11","100","2","100","2","","","","","","","","7","C 1 2/c 1","-C 2yc","15","","","","- C81 H216 Cu K3 N32 O18 Sn9 -","- C81 H216 Cu K3 N32 O18 Sn9 -","- C648 H1728 Cu8 K24 N256 O144 Sn72 -","8","1","","Geitner, Felix; Klein, Wilhelm; Fässler, Thomas F","On the Formation of the Intermetalloid Cluster [AgSn18]7‒ - The Reactivity of Coinage Metal NHC Compounds towards [Sn9]4‒","Dalton Trans.","2017","","","","","10.1039/C7DT00754J","","","0.71073","MoKα","","0.0428","0.03","","","0.0658","0.0716","","","","","","1.008","","","","has coordinates","194721","2020-10-21","18:00:00",""
"7042633","57.9254","0.0015","16.7406","0.0003","31.1204","0.0008","90","","115.003","0.003","90","","27349.6","1.3","120","2","120","2","","","","","","","","7","C 1 2/c 1","-C 2yc","15","","","","- C81 H216 Ag K3 N32 O18 Sn9 -","- C81 H216 Ag K3 N32 O18 Sn9 -","- C648 H1728 Ag8 K24 N256 O144 Sn72 -","8","1","","Geitner, Felix; Klein, Wilhelm; Fässler, Thomas F","On the Formation of the Intermetalloid Cluster [AgSn18]7‒ - The Reactivity of Coinage Metal NHC Compounds towards [Sn9]4‒","Dalton Trans.","2017","","","","","10.1039/C7DT00754J","","","0.7107","MoKα","","0.0811","0.0363","","","0.0698","0.0759","","","","","","0.821","","","","has coordinates","194721","2020-10-21","18:00:00",""
"7042634","58.0663","0.0014","16.7942","0.0003","31.1263","0.0007","90","","115.319","0.003","90","","27437.9","1.2","120","2","120","2","","","","","","","","7","C 1 2/c 1","-C 2yc","15","","","","- C81 H216 Au K3 N32 O18 Sn9 -","- C81 H216 Au K3 N32 O18 Sn9 -","- C648 H1728 Au8 K24 N256 O144 Sn72 -","8","1","","Geitner, Felix; Klein, Wilhelm; Fässler, Thomas F","On the Formation of the Intermetalloid Cluster [AgSn18]7‒ - The Reactivity of Coinage Metal NHC Compounds towards [Sn9]4‒","Dalton Trans.","2017","","","","","10.1039/C7DT00754J","","","0.7107","MoKα","","0.0613","0.0361","","","0.0805","0.0848","","","","","","0.941","","","","has coordinates","194721","2020-10-21","18:00:00",""
"7042635","17.336","0.0002","17.5287","0.0002","27.4117","0.0003","78.65","0.001","85.741","0.001","71.589","0.001","7748.22","0.16","120","2","120","2","","","","","","","","7","P -1","-P 1","2","","","","- C72 H213 Ag K7 N31 O24 Sn18 -","- C72 H213 Ag K7 N31 O24 Sn18 -","- C144 H426 Ag2 K14 N62 O48 Sn36 -","2","1","","Geitner, Felix; Klein, Wilhelm; Fässler, Thomas F","On the Formation of the Intermetalloid Cluster [AgSn18]7‒ - The Reactivity of Coinage Metal NHC Compounds towards [Sn9]4‒","Dalton Trans.","2017","","","","","10.1039/C7DT00754J","","","0.71073","MoKα","","0.0736","0.0525","","","0.1374","0.1465","","","","","","1.064","","","","has coordinates,has disorder","194721","2020-10-21","18:00:00",""
"7042636","9.7539","0.0016","9.8451","0.0017","10.127","0.0018","79.433","0.006","61.224","0.006","73.647","0.006","816.6","0.2","110","2","110","2","","","","","","","","5","P -1","-P 1","2","AATAU-140","AS-174","","- C8 H10 N18 O S -","- C8 H10 N18 O S -","- C16 H20 N36 O2 S2 -","2","1","","Shlomovich, Avital; Pechersky, Tali; Cohen, Adva; Yan, Qilong; Kosa, Monica; Petrutik, Nathan; Tal, Noam; Aizikovich, Alexander; Gozin, Michael","Energetic Isomers of 1,2,4,5-Tetrazine-bis-1,2,4-Triazoles with Low Toxicity.","Dalton Trans.","2017","","","","","10.1039/C7DT00935F","","","0.71073","MoKα","","0.0535","0.0455","","","0.1244","0.1303","","","","","","1.029","","","","has coordinates","194912","2020-10-21","18:00:00",""
"7042637","14.703","0.002","15.78","0.002","19.883","0.003","90","","98.66","0.003","90","","4560.5","1.1","130","","130","","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C46 H64 K2 N2 O6 -","- C46 H64 K2 N2 O6 -","- C184 H256 K8 N8 O24 -","4","1","","Yao, Chenhui; Yang, Yang; Xu, Shaoan; ma, haiyan","Potassium complexes supported by monoanionic tetradentate amino-phenolate ligands: synthesis, structure and catalysis in ring-opening polymerization of rac-lactide","Dalton Trans.","2017","","","","","10.1039/C7DT00812K","","","0.71073","MoKα","","0.0926","0.0542","","","0.1404","0.1634","","","","","","1.015","","","","has coordinates","194913","2020-10-21","18:00:00",""
"7042638","23.1335","0.0015","13.8361","0.0009","24.8293","0.0017","90","","100.348","0.001","90","","7818","0.9","130","","130","","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C80 H106 K2 N6 O2 -","- C80 H106 K2 N6 O2 -","- C320 H424 K8 N24 O8 -","4","1","","Yao, Chenhui; Yang, Yang; Xu, Shaoan; ma, haiyan","Potassium complexes supported by monoanionic tetradentate amino-phenolate ligands: synthesis, structure and catalysis in ring-opening polymerization of rac-lactide","Dalton Trans.","2017","","","","","10.1039/C7DT00812K","","","0.71073","MoKα","","0.0973","0.0734","","","0.1969","0.227","","","","","","1.017","","","","has coordinates","194913","2020-10-21","18:00:00",""
"7042639","6.9785","0.0003","11.4585","0.0004","14.226","0.0005","80.189","0.003","88.135","0.003","76.622","0.003","1090.47","0.07","100","0.1","100","0.1","","","","","","","","7","P -1","-P 1","2","","","","- C10 H24 N2 Na2 O14 Pd S2 -","- C10 H24 N2 Na2 O14 Pd S2 -","- C20 H48 N4 Na4 O28 Pd2 S4 -","2","1","","Cui, Yu; Chen, Zi-Man; Jiang, Xuan-Feng; Tong, Jin; Yu, Shu-Yan","Self-Assembly and Anion sensing of Metal-organic [M6L2] Cages from Fluorescent Triphenylamine Tri-pyrazoles with Dipalladium(II,II) Corners","Dalton Trans.","2017","","","","","10.1039/C7DT00179G","","","1.54178","CuKα","","0.0492","0.0489","","","0.1244","0.1247","","","","","","0.929","","","","has coordinates","194914","2020-10-21","18:00:00",""
"7042640","18.712","0.004","38.357","0.008","22.714","0.005","90","","110.07","0.03","90","","15313","6","173","2","173","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C134 H114 F36 N36 P6 Pd6 -","- C134 H114 F36.0004 N35.9996 P6 Pd6 -","- C536 H456 F144.002 N143.998 P24 Pd24 -","4","1","","Cui, Yu; Chen, Zi-Man; Jiang, Xuan-Feng; Tong, Jin; Yu, Shu-Yan","Self-Assembly and Anion sensing of Metal-organic [M6L2] Cages from Fluorescent Triphenylamine Tri-pyrazoles with Dipalladium(II,II) Corners","Dalton Trans.","2017","","","","","10.1039/C7DT00179G","","","0.7","Synchrotron","","0.0452","0.0379","","","0.1099","0.1137","","","","","","1.038","","","","has coordinates,has disorder","194914","2020-10-21","18:00:00",""
"7042641","58.295","0.007","11.9914","0.0014","24.911","0.003","90","","90","","90","","17414","4","150","2","150","","","","","","","","","6","P n m a","-P 2ac 2n","62","","","","- C65 H56 F18 N14 P3 Pd3 -","- C65 H56 F18 N14 P3 Pd3 -","- C520 H448 F144 N112 P24 Pd24 -","8","1","","Cui, Yu; Chen, Zi-Man; Jiang, Xuan-Feng; Tong, Jin; Yu, Shu-Yan","Self-Assembly and Anion sensing of Metal-organic [M6L2] Cages from Fluorescent Triphenylamine Tri-pyrazoles with Dipalladium(II,II) Corners","Dalton Trans.","2017","","","","","10.1039/C7DT00179G","","","0.71073","MoKα","","0.2202","0.1171","","","0.2768","0.3293","","","","","","1.02","","","","has coordinates,has disorder","194914","2020-10-21","18:00:00",""
"7042642","29.983","0.004","29.983","0.004","11.399","0.002","90","","90","","120","","8875","2","291.15","","291.15","","","","","","","","","6","P 6/m","-P 6","175","","","","- C126 H84 F36 N26 P6 Pd6 -","- C126 H84 F36 N26 P6 Pd6 -","- C252 H168 F72 N52 P12 Pd12 -","2","0.166667","","Cui, Yu; Chen, Zi-Man; Jiang, Xuan-Feng; Tong, Jin; Yu, Shu-Yan","Self-Assembly and Anion sensing of Metal-organic [M6L2] Cages from Fluorescent Triphenylamine Tri-pyrazoles with Dipalladium(II,II) Corners","Dalton Trans.","2017","","","","","10.1039/C7DT00179G","","","0.71073","MoKα","","0.1039","0.0779","","","0.2119","0.2383","","","","","","1.035","","","","has coordinates,has disorder","194914","2020-10-21","18:00:00",""
"7042643","17.3687","0.0019","17.0036","0.0016","8.098","0.0009","90","","100.326","0.006","90","","2352.9","0.4","294","2","294","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C26 H30 Cl N O2 -","- C26 H30 Cl N O2 -","- C104 H120 Cl4 N4 O8 -","4","1","","Duan, Yu Lian; Wang, Tao; Xie, Qingxiao; Yu, Xiaobo; Guo, Weijie; Wu, Shutao; Li, Danfeng; Wang, Jianhui; Liu, Guiyan","A pH-controlled Recyclable Indolinooxazolidine Tagged N-heterocyclic Carbene Ru Catalyst for Olefin Metathesis","Dalton Trans.","2017","","","","","10.1039/C7DT00853H","","","0.71073","MoKα","","0.0674","0.0565","","","0.1462","0.1536","","","","","","1.075","","","","has coordinates","194915","2020-10-21","18:00:00",""
"7042644","15.447","0.0004","16.2633","0.0004","20.7349","0.0006","93.405","0.001","90","","90","","5199.8","0.2","173","2","173","2","","","","","","","","6","P -1","-P 1","2","","","","- C96 H116 Cl18 N6 O4 Ru2 -","- C96 H116 Cl18 N6 O4 Ru2 -","- C192 H232 Cl36 N12 O8 Ru4 -","2","1","","Duan, Yu Lian; Wang, Tao; Xie, Qingxiao; Yu, Xiaobo; Guo, Weijie; Wu, Shutao; Li, Danfeng; Wang, Jianhui; Liu, Guiyan","A pH-controlled Recyclable Indolinooxazolidine Tagged N-heterocyclic Carbene Ru Catalyst for Olefin Metathesis","Dalton Trans.","2017","","","","","10.1039/C7DT00853H","","","0.71073","MoKα","","0.0529","0.0423","","","0.099","0.1058","","","","","","1.036","","","","has coordinates,has disorder","194915","2020-10-21","18:00:00",""
"7042645","16.4721","0.0016","17.5103","0.0017","18.5492","0.0018","90","","90","","90","","5350.2","0.9","150","2","150","2","","","","","","","","8","P b c a","-P 2ac 2ab","61","","","","- C26 H31 F3 N Ni O3 P S -","- C26 H31 F3 N Ni O3 P S -","- C208 H248 F24 N8 Ni8 O24 P8 S8 -","8","1","","Tafazolian, Hosein; Yoxtheimer, Robert; Thakuri, Rajendr S.; Schmidt, Joseph A. R.","Selective hydrosilylation of alkynes and ketones: contrasting reactivity between cationic 3-iminophosphine palladium and nickel complexes.","Dalton transactions (Cambridge, England : 2003)","2017","46","16","5431","5440","10.1039/c7dt00832e","","","0.71073","MoKα","","0.0467","0.0325","","","0.0925","0.1051","","","","","","1.07","","","","has coordinates","196428","2020-10-21","18:00:00",""
"7042646","19.6858","0.0015","19.6858","0.0015","28.677","0.002","90","","90","","120","","9624.3","1.2","100","2","100","2","","","","","","","","7","R 3 :H","R 3","146","","","","- C97.5 H100 Cl6 Mn7 N6 Na2 O23.5 -","- C97.5 H96 Cl6 Mn7 N6 Na2 O23.4999 -","- C292.5 H288 Cl18 Mn21 N18 Na6 O70.4997 -","3","0.333333","","Escuer, Albert; Mayans, Julia; Font-Bardia, Merce; Górecki, Marcin; Di Bari, Lorenzo","Syntheses, structures, chiroptical and magnetic properties of chiral clusters built from Schiff bases: a novel [MnIIMnIII6NaI2] core","Dalton Trans.","2017","","","","","10.1039/C7DT00811B","","","0.71073","MoKα","","0.1079","0.0441","","","0.1137","0.1246","","","","","","0.983","","","","has coordinates","195229","2020-10-21","18:00:00",""
"7042647","14.2067","0.0006","14.5629","0.0007","16.5401","0.0008","91.435","0.002","112.245","0.002","110.988","0.002","2905.6","0.2","100","2","100","2","","","","","","","","7","P 1","P 1","1","","","","- C108 H112 Br6 Mn7 N10 Na2 O21 -","- C108 H112 Br6 Mn7 N10 Na2 O21 -","- C108 H112 Br6 Mn7 N10 Na2 O21 -","1","1","","Escuer, Albert; Mayans, Julia; Font-Bardia, Merce; Górecki, Marcin; Di Bari, Lorenzo","Syntheses, structures, chiroptical and magnetic properties of chiral clusters built from Schiff bases: a novel [MnIIMnIII6NaI2] core","Dalton Trans.","2017","","","","","10.1039/C7DT00811B","","","0.71073","MoKα","","0.0393","0.0304","","","0.073","0.0793","","","","","","1.058","","","","has coordinates","195229","2020-10-21","18:00:00",""
"7042648","20.2507","0.0007","16.3807","0.0006","20.7092","0.0008","90","","115.848","0.001","90","","6182.4","0.4","100","2","100","2","","","","","","","","7","P 1 21 1","P 2yb","4","","","","- C110 H117 Br8 Mn8 N12 Na2 O26.5 -","- C110 H114 Br8 Mn8 N12 Na2 O26.5 -","- C220 H228 Br16 Mn16 N24 Na4 O53 -","2","1","","Escuer, Albert; Mayans, Julia; Font-Bardia, Merce; Górecki, Marcin; Di Bari, Lorenzo","Syntheses, structures, chiroptical and magnetic properties of chiral clusters built from Schiff bases: a novel [MnIIMnIII6NaI2] core","Dalton Trans.","2017","","","","","10.1039/C7DT00811B","","","0.71073","MoKα","","0.0545","0.0361","","","0.0762","0.0859","","","","","","0.963","","","","has coordinates","291143","2024-04-09","08:48:39",""
"7042649","19.626","0.0007","19.626","0.0007","28.7679","0.0009","90","","90","","120","","9596.3","0.6","100","2","100","2","","","","","","","","7","R 3 :H","R 3","146","","","","- C105 H111 Cl6 Mn7 N9 Na2 O23 -","- C105 H111 Cl6 Mn7 N9 Na2 O23 -","- C315 H333 Cl18 Mn21 N27 Na6 O69 -","3","0.333333","","Escuer, Albert; Mayans, Julia; Font-Bardia, Merce; Górecki, Marcin; Di Bari, Lorenzo","Syntheses, structures, chiroptical and magnetic properties of chiral clusters built from Schiff bases: a novel [MnIIMnIII6NaI2] core","Dalton Trans.","2017","","","","","10.1039/C7DT00811B","","","0.71073","MoKα","","0.0695","0.0572","","","0.1654","0.1738","","","","","","1.123","","","","has coordinates","195229","2020-10-21","18:00:00",""
"7042650","16.5448","0.0015","19.9112","0.0019","20.663","0.002","114.549","0.004","91.914","0.005","90.337","0.004","6186.7","1","100","2","100","2","","","","","","","","7","P 1","P 1","1","","","","- C217 H233 Br16 Mn16 N21 Na4 O49 -","- C217 H228 Br16 Mn16 N21 Na4 O49 -","- C217 H228 Br16 Mn16 N21 Na4 O49 -","1","1","","Escuer, Albert; Mayans, Julia; Font-Bardia, Merce; Górecki, Marcin; Di Bari, Lorenzo","Syntheses, structures, chiroptical and magnetic properties of chiral clusters built from Schiff bases: a novel [MnIIMnIII6NaI2] core","Dalton Trans.","2017","","","","","10.1039/C7DT00811B","","","0.71073","","","0.1109","0.0536","","","0.1161","0.1344","","","","","","0.937","","","","has coordinates","195229","2020-10-21","18:00:00",""
"7042651","17.1832","0.0002","19.3527","0.0003","23.8426","0.0002","85.827","0.001","87.525","0.001","65.543","0.001","7197.35","0.16","100","0.1","100","0.1","","","","","","","","4","P -1","-P 1","2","","","","- Eu0.32 Mo29 O163 Tb3.68 -","- Eu0.32 Mo29 O163 Tb3.68 -","- Eu0.64 Mo58 O326 Tb7.36 -","2","1","","Kaczmarek, Anna M. Marta; Liu, Jing; Laforce, Brecht; Vincze, Laszlo; Van Hecke, Kristof; Van Deun, Rik","Cryogenic Luminescent Thermometers Based on Multinuclear Eu3+/Tb3+ Mixed Lanthanide Polyoxometalates","Dalton Trans.","2017","","","","","10.1039/C7DT01058C","","x-ray","0.71073","MoKα","","0.0998","0.0668","","","0.161","0.1858","","","","","","1.029","","","","has coordinates","195253","2020-10-21","18:00:00",""
"7042652","18.62032","0.00013","29.59902","0.00016","36.28676","0.00017","86.5448","0.0004","88.2388","0.0005","86.484","0.0005","19917.9","0.2","100","0.1","100","0.1","","","","","","","","4","P -1","-P 1","2","","","","- Eu0.19 Mo87 O472 Tb11.81 -","- Eu0.192 Mo87 O472 Tb11.808 -","- Eu0.384 Mo174 O944 Tb23.616 -","2","1","","Kaczmarek, Anna M. Marta; Liu, Jing; Laforce, Brecht; Vincze, Laszlo; Van Hecke, Kristof; Van Deun, Rik","Cryogenic Luminescent Thermometers Based on Multinuclear Eu3+/Tb3+ Mixed Lanthanide Polyoxometalates","Dalton Trans.","2017","","","","","10.1039/C7DT01058C","","x-ray","0.71073","MoKα","","0.0741","0.0591","","","0.1329","0.1412","","","","","","1.062","","","","has coordinates","195254","2020-10-21","18:00:00",""
"7042653","10.1058","0.0002","13.454","0.0003","16.1604","0.0003","79.2065","0.0008","79.8317","0.001","80.8758","0.0009","2106.47","0.07","173","2","173","2","","","","","","","","6","P -1","-P 1","2","","","","- C47 H55 Cu I N2 P -","- C47 H55 Cu I N2 P -","- C94 H110 Cu2 I2 N4 P2 -","2","1","","Lui, Melanie W.; Shynkaruk, Olena; Oakley, Meagan; Sinelnikov, Regina; McDonald, Robert; Ferguson, Michael J.; Meldrum, Al; Klobukowski, Mariusz; Rivard, Eric","Engaging Dual Donor Sites within an N-Heterocyclic Olefin Phosphine Ligand","Dalton Trans.","2017","","","","","10.1039/C7DT00398F","","","1.54178","CuKα","","0.0294","0.0282","","","0.072","0.0728","","","","","","1.047","","","","has coordinates","195274","2020-10-21","18:00:00",""
"7042654","18.6168","0.0005","13.3772","0.0003","19.0712","0.0005","90","","115.649","0.0011","90","","4281.51","0.19","173","2","173","2","","","","","","","","6","I 1 a 1","I -2ya","9","","","","- C41 H49 Au2 Cl4 N2 P -","- C41 H49 Au2 Cl4 N2 P -","- C164 H196 Au8 Cl16 N8 P4 -","4","1","","Lui, Melanie W.; Shynkaruk, Olena; Oakley, Meagan; Sinelnikov, Regina; McDonald, Robert; Ferguson, Michael J.; Meldrum, Al; Klobukowski, Mariusz; Rivard, Eric","Engaging Dual Donor Sites within an N-Heterocyclic Olefin Phosphine Ligand","Dalton Trans.","2017","","","","","10.1039/C7DT00398F","","","1.54178","CuKα","","0.0273","0.0262","","","0.0668","0.0677","","","","","","1.054","","","","has coordinates,has disorder","195274","2020-10-21","18:00:00",""
"7042655","9.82456","0.00015","20.1043","0.0003","20.4797","0.0003","90","","99.4697","0.0007","90","","3989.94","0.1","173","2","173","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C43.5 H51 Cl Cu N2 P -","- C43.5 H51 Cl Cu N2 P -","- C174 H204 Cl4 Cu4 N8 P4 -","4","1","","Lui, Melanie W.; Shynkaruk, Olena; Oakley, Meagan; Sinelnikov, Regina; McDonald, Robert; Ferguson, Michael J.; Meldrum, Al; Klobukowski, Mariusz; Rivard, Eric","Engaging Dual Donor Sites within an N-Heterocyclic Olefin Phosphine Ligand","Dalton Trans.","2017","","","","","10.1039/C7DT00398F","","","1.54178","CuKα","","0.0351","0.033","","","0.0899","0.0921","","","","","","1.036","","","","has coordinates,has disorder","195274","2020-10-21","18:00:00",""
"7042656","10.3405","0.0004","18.0429","0.0007","21.9333","0.0008","90","","97.4577","0.0019","90","","4057.5","0.3","173","2","173","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C43 H54 Au I N2 P -","- C43 H54 Au I N2 P -","- C172 H216 Au4 I4 N8 P4 -","4","1","","Lui, Melanie W.; Shynkaruk, Olena; Oakley, Meagan; Sinelnikov, Regina; McDonald, Robert; Ferguson, Michael J.; Meldrum, Al; Klobukowski, Mariusz; Rivard, Eric","Engaging Dual Donor Sites within an N-Heterocyclic Olefin Phosphine Ligand","Dalton Trans.","2017","","","","","10.1039/C7DT00398F","","","1.54178","CuKα","","0.0309","0.0293","","","0.0629","0.0638","","","","","","1.249","","","","has coordinates","195274","2020-10-21","18:00:00",""
"7042657","20.649","0.0006","17.2473","0.0004","13.9539","0.0004","90","","91.939","0.003","90","","4966.7","0.2","100.46","0.1","100.46","0.1","","","","","","","","7","C 1 2/c 1","-C 2yc","15","","","","- C54 H68 Cl O3 P2 Rh Si2 -","- C54 H68 Cl O3 P2 Rh Si2 -","- C216 H272 Cl4 O12 P8 Rh4 Si8 -","4","0.5","","Corona-González, María Vicky; Zamora-Moreno, Julio; Cuevas-Chávez, Cynthia A.; Rufino-Felipe, Ernesto; Mothes-Martin, Emmanuelle; Coppel, Yannick; Muñoz-Hernández, Miguel A.; Vendier, Laure; Flores-Alamo, Marcos; Grellier, Mary; Sabo-Etienne, Sylviane; Montiel-Palma, Virginia","A family of rhodium and iridium complexes with semirigid benzylsilyl phosphines: from bidentate to tetradentate coordination modes","Dalton Trans.","2017","","","","","10.1039/C7DT00727B","","x-ray","0.71073","MoKα","","0.0399","0.0341","","","0.0833","0.0868","","","","","","1.058","","","","has coordinates,has disorder","195275","2020-10-21","18:00:00",""
"7042658","17.5658","0.0011","15.6412","0.0008","10.4063","0.0005","90","","94.735","0.005","90","","2849.4","0.3","99.9","0.4","99.9","0.4","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C27 H39 P Si3 -","- C27 H39 P Si3 -","- C108 H156 P4 Si12 -","4","1","","Corona-González, María Vicky; Zamora-Moreno, Julio; Cuevas-Chávez, Cynthia A.; Rufino-Felipe, Ernesto; Mothes-Martin, Emmanuelle; Coppel, Yannick; Muñoz-Hernández, Miguel A.; Vendier, Laure; Flores-Alamo, Marcos; Grellier, Mary; Sabo-Etienne, Sylviane; Montiel-Palma, Virginia","A family of rhodium and iridium complexes with semirigid benzylsilyl phosphines: from bidentate to tetradentate coordination modes","Dalton Trans.","2017","","","","","10.1039/C7DT00727B","","x-ray","1.54184","CuKα","","0.1152","0.1044","","","0.2609","0.2692","","","","","","1.096","","","","has coordinates","195275","2020-10-21","18:00:00",""
"7042659","18.7944","0.0011","13.7302","0.0008","23.8886","0.0013","90","","94.744","0.003","90","","6143.4","0.6","100","2","100","2","","","","","","","synthesis as described","7","P 1 21/n 1","-P 2yn","14","","","","- C58 H82 Cl2 O2 P2 Rh2 Si6 -","- C58 H82 Cl2 O2 P2 Rh2 Si6 -","- C232 H328 Cl8 O8 P8 Rh8 Si24 -","4","1","","Corona-González, María Vicky; Zamora-Moreno, Julio; Cuevas-Chávez, Cynthia A.; Rufino-Felipe, Ernesto; Mothes-Martin, Emmanuelle; Coppel, Yannick; Muñoz-Hernández, Miguel A.; Vendier, Laure; Flores-Alamo, Marcos; Grellier, Mary; Sabo-Etienne, Sylviane; Montiel-Palma, Virginia","A family of rhodium and iridium complexes with semirigid benzylsilyl phosphines: from bidentate to tetradentate coordination modes","Dalton Trans.","2017","","","","","10.1039/C7DT00727B","","","0.71073","MoKα","","0.042","0.0318","","","0.0763","0.0849","","","","","","1.122","","","","has coordinates","195275","2020-10-21","18:00:00",""
"7042660","11.7449","0.00013","21.9235","0.0002","12.012","0.00013","90","","108.261","0.0012","90","","2937.2","0.06","99.98","0.1","99.98","0.1","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C60 H70 Cl2 P2 Rh2 Si4 -","- C60 H70 Cl2 P2 Rh2 Si4 -","- C120 H140 Cl4 P4 Rh4 Si8 -","2","0.5","","Corona-González, María Vicky; Zamora-Moreno, Julio; Cuevas-Chávez, Cynthia A.; Rufino-Felipe, Ernesto; Mothes-Martin, Emmanuelle; Coppel, Yannick; Muñoz-Hernández, Miguel A.; Vendier, Laure; Flores-Alamo, Marcos; Grellier, Mary; Sabo-Etienne, Sylviane; Montiel-Palma, Virginia","A family of rhodium and iridium complexes with semirigid benzylsilyl phosphines: from bidentate to tetradentate coordination modes","Dalton Trans.","2017","","","","","10.1039/C7DT00727B","","x-ray","1.54184","CuKα","","0.0301","0.0271","","","0.0716","0.0737","","","","","","1.021","","","","has coordinates","195275","2020-10-21","18:00:00",""
"7042661","13.7427","0.0003","24.3307","0.0005","20.5811","0.0004","90","","99.626","0.002","90","","6784.8","0.2","130","2","130","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C54 H72 Cl2 Ir2 O P2 Si6 -","- C54 H72 Cl2 Ir2 O P2 Si6 -","- C216 H288 Cl8 Ir8 O4 P8 Si24 -","4","1","","Corona-González, María Vicky; Zamora-Moreno, Julio; Cuevas-Chávez, Cynthia A.; Rufino-Felipe, Ernesto; Mothes-Martin, Emmanuelle; Coppel, Yannick; Muñoz-Hernández, Miguel A.; Vendier, Laure; Flores-Alamo, Marcos; Grellier, Mary; Sabo-Etienne, Sylviane; Montiel-Palma, Virginia","A family of rhodium and iridium complexes with semirigid benzylsilyl phosphines: from bidentate to tetradentate coordination modes","Dalton Trans.","2017","","","","","10.1039/C7DT00727B","","","0.71073","MoKα","","0.0539","0.0345","","","0.0689","0.0786","","","","","","1.074","","","","has coordinates,has disorder","195275","2020-10-21","18:00:00",""
"7042662","10.1934","0.0005","9.308","0.0004","22.7635","0.0009","90","","102.195","0.002","90","","2111.07","0.16","100","2","100","","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C21 H27 B P2 Si -","- C21 H27 B P2 Si -","- C84 H108 B4 P8 Si4 -","4","1","","Newland, Robert J.; Wyatt, Mark Francis; Wingad, Richard; Mansell, Stephen M.","A Ruthenium(II) Bis(Phosphinophosphinine) Complex as a Precatalyst for Transfer-Hydrogenation and Hydrogen-Borrowing Reactions","Dalton Trans.","2017","","","","","10.1039/C7DT01022B","","","0.71073","MoKα","","0.0505","0.0361","","","0.0821","0.0886","","","","","","1.035","","","","has coordinates","195276","2020-10-21","18:00:00",""
"7042663","16.815","0.004","5.8402","0.0015","21.487","0.005","90","","104.221","0.01","90","","2045.4","0.9","100","2","100","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C21 H24 P2 Si -","- C21 H24 P2 Si -","- C84 H96 P8 Si4 -","4","1","","Newland, Robert J.; Wyatt, Mark Francis; Wingad, Richard; Mansell, Stephen M.","A Ruthenium(II) Bis(Phosphinophosphinine) Complex as a Precatalyst for Transfer-Hydrogenation and Hydrogen-Borrowing Reactions","Dalton Trans.","2017","","","","","10.1039/C7DT01022B","","","0.71073","MoKα","","0.085","0.0622","","","0.1623","0.1779","","","","","","1.08","","","","has coordinates","195276","2020-10-21","18:00:00",""
"7042664","19.2383","0.0011","25.4095","0.0017","10.8916","0.0006","90","","105.042","0.003","90","","5141.8","0.5","100","2","100","","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C48 H54 Cl2 P4 Ru Si2 -","- C48 H54 Cl2 P4 Ru Si2 -","- C192 H216 Cl8 P16 Ru4 Si8 -","4","1","","Newland, Robert J.; Wyatt, Mark Francis; Wingad, Richard; Mansell, Stephen M.","A Ruthenium(II) Bis(Phosphinophosphinine) Complex as a Precatalyst for Transfer-Hydrogenation and Hydrogen-Borrowing Reactions","Dalton Trans.","2017","","","","","10.1039/C7DT01022B","","","0.71073","MoKα","","0.1197","0.0624","","","0.1271","0.1476","","","","","","1.021","","","","has coordinates","195276","2020-10-21","18:00:00",""
"7042665","8.525","0.002","12.695","0.004","18.656","0.005","71.592","0.014","82.114","0.014","80.691","0.015","1882.5","0.9","296","2","296","2","","","","","","","","5","P -1","-P 1","2","","Cu(III)-5,15-(m-nitrophenyl)-10-(p-dimethylamino-phenyl)corrole","","- C46 H34 Cu N7 O4 -","- C46 H34 Cu N7 O4 -","- C92 H68 Cu2 N14 O8 -","2","1","","Liang, Xu; Niu, Yingjie; Zhang, Qianchong; Mack, John; Yi, Xiao-Yi; Hlatshwayo, Zweli; Nyokong, Tebello; Li, Minzhi; Zhu, Weihua","Cu(III)Triarylcorroles with Asymmetric Push-Pull meso-Substitutions: Tunable Molecular Electrochemically Catalyzed Hydrogen Evolution","Dalton Trans.","2017","","","","","10.1039/C7DT00716G","","","0.71073","MoKα","","0.1865","0.0689","","","0.1221","0.1634","","","","","","0.978","","","","has coordinates","195325","2020-10-21","18:00:00",""
"7042666","19.153","0.003","19.153","0.003","19.153","0.003","116.877","0.001","116.877","0.001","116.877","0.001","3158.6","0.9","100","","100","","","","","","","","","8","R 3:r","P 3*","146","","","","- C34 H36 Br4 Hg2 N4 O S Se -","- C34 H36 Br4 Hg2 N4 O S Se -","- C102 H108 Br12 Hg6 N12 O3 S3 Se3 -","3","","","Dhiman, Rishu; Prashanth, Billa; Bawari, Deependra; Mandal, Ushnish; Verma, Aditya; Roychoudhury, Angshuman; Singh, Sanjay","Hg(II) and Pd(II) complexes with a new selenoether bridged biscarbene ligand: Efficient mono- and bis-arylation of methyl acrylate with a pincer biscarbene Pd(II) precatalyst","Dalton Trans.","2017","","","","","10.1039/C6DT04505G","","","0.71075","MoKα","","0.0594","0.0552","","","0.1172","0.1214","","","","","","1.029","","","","has coordinates,has disorder","195338","2020-10-21","18:00:00",""
"7042667","25.424","0.008","8.1347","0.0017","15.68","0.004","90","","113.947","0.013","90","","2963.7","1.4","296","","296","","","","","","","","","3","C 1 2/c 1","-C 2yc","15","","","","- C18 H14 O4 -","- C18 H14 O4 -","- C144 H112 O32 -","8","1","","Dhiman, Rishu; Prashanth, Billa; Bawari, Deependra; Mandal, Ushnish; Verma, Aditya; Roychoudhury, Angshuman; Singh, Sanjay","Hg(II) and Pd(II) complexes with a new selenoether bridged biscarbene ligand: Efficient mono- and bis-arylation of methyl acrylate with a pincer biscarbene Pd(II) precatalyst","Dalton Trans.","2017","","","","","10.1039/C6DT04505G","","","0.71073","MoKα","","0.0936","0.0785","","","0.231","0.2427","","","","","","1.096","","","","has coordinates","195338","2020-10-21","18:00:00",""
"7042668","11.4917","0.0013","11.5144","0.0012","12.376","0.0014","96.35","0.005","99.617","0.005","99.243","0.005","1577.6","0.3","100","","100","","","","","","","","","6","P -1","-P 1","2","","","","- C32 H34 Br2 N4 O Se -","- C32 H34 Br2 N4 O Se -","- C64 H68 Br4 N8 O2 Se2 -","2","1","","Dhiman, Rishu; Prashanth, Billa; Bawari, Deependra; Mandal, Ushnish; Verma, Aditya; Roychoudhury, Angshuman; Singh, Sanjay","Hg(II) and Pd(II) complexes with a new selenoether bridged biscarbene ligand: Efficient mono- and bis-arylation of methyl acrylate with a pincer biscarbene Pd(II) precatalyst","Dalton Trans.","2017","","","","","10.1039/C6DT04505G","","","0.71073","MoKα","","0.044","0.0377","","","0.1093","0.1134","","","","","","1.026","","","","has coordinates,has disorder","195338","2020-10-21","18:00:00",""
"7042669","20.367","0.005","18.976","0.005","7.46","0.0017","90","","90","","90","","2883.2","1.2","100","","100","","","","","","","","","6","P n a 21","P 2c -2n","33","","","","- C32 H30.5 N5 O3.75 Pd Se -","- C32 H30.5 N5 O3.75 Pd Se -","- C128 H122 N20 O15 Pd4 Se4 -","4","1","","Dhiman, Rishu; Prashanth, Billa; Bawari, Deependra; Mandal, Ushnish; Verma, Aditya; Roychoudhury, Angshuman; Singh, Sanjay","Hg(II) and Pd(II) complexes with a new selenoether bridged biscarbene ligand: Efficient mono- and bis-arylation of methyl acrylate with a pincer biscarbene Pd(II) precatalyst","Dalton Trans.","2017","","","","","10.1039/C6DT04505G","","","0.71073","MoKα","","0.1123","0.0857","","","0.1789","0.1996","","","","","","1.049","","","","has coordinates,has disorder","195338","2020-10-21","18:00:00",""
"7042670","11.8235","0.0015","11.8672","0.0014","12.6937","0.0015","75.555","0.007","69.682","0.007","64.94","0.007","1502","0.3","100","","100","","","","","","","","","6","P -1","-P 1","2","","","","- C32 H30 Br2 N4 Pd Se -","- C32 H30 Br2 N4 Pd Se -","- C64 H60 Br4 N8 Pd2 Se2 -","2","1","","Dhiman, Rishu; Prashanth, Billa; Bawari, Deependra; Mandal, Ushnish; Verma, Aditya; Roychoudhury, Angshuman; Singh, Sanjay","Hg(II) and Pd(II) complexes with a new selenoether bridged biscarbene ligand: Efficient mono- and bis-arylation of methyl acrylate with a pincer biscarbene Pd(II) precatalyst","Dalton Trans.","2017","","","","","10.1039/C6DT04505G","","","0.71073","MoKα","","0.0761","0.0507","","","0.1248","0.1399","","","","","","1.047","","","","has coordinates","195338","2020-10-21","18:00:00",""
"7042671","11.7285","0.0008","11.8807","0.0007","12.3142","0.0008","96.183","0.005","98.868","0.006","101.395","0.005","1644.97","0.19","100","","100","","","","","","","","","6","P -1","-P 1","2","","","","- C32 H32 B2 F8 N4 Se -","- C32 H32 B2 F8 N4 Se -","- C64 H64 B4 F16 N8 Se2 -","2","1","","Dhiman, Rishu; Prashanth, Billa; Bawari, Deependra; Mandal, Ushnish; Verma, Aditya; Roychoudhury, Angshuman; Singh, Sanjay","Hg(II) and Pd(II) complexes with a new selenoether bridged biscarbene ligand: Efficient mono- and bis-arylation of methyl acrylate with a pincer biscarbene Pd(II) precatalyst","Dalton Trans.","2017","","","","","10.1039/C6DT04505G","","","0.71073","MoKα","","0.1141","0.0812","","","0.2118","0.2388","","","","","","1.036","","","","has coordinates,has disorder","195338","2020-10-21","18:00:00",""
"7042672","30.8531","0.0018","10.9709","0.0007","17.1227","0.001","90","","90","","90","","5795.8","0.6","100","2","100","","","","","","","","","6","P b c n","-P 2n 2ab","60","","","","- C32 H30 Br2 N4 Pd Se -","- C32 H30 Br2 N4 Pd Se -","- C256 H240 Br16 N32 Pd8 Se8 -","8","1","","Dhiman, Rishu; Prashanth, Billa; Bawari, Deependra; Mandal, Ushnish; Verma, Aditya; Roychoudhury, Angshuman; Singh, Sanjay","Hg(II) and Pd(II) complexes with a new selenoether bridged biscarbene ligand: Efficient mono- and bis-arylation of methyl acrylate with a pincer biscarbene Pd(II) precatalyst","Dalton Trans.","2017","","","","","10.1039/C6DT04505G","","","0.71073","MoKα","","0.0566","0.0423","","","0.1018","0.1096","","","","","","1.037","","","","has coordinates","195338","2020-10-21","18:00:00",""
"7042673","11.8218","0.0004","11.8771","0.0006","14.6612","0.0007","92.953","0.004","97.763","0.003","114.772","0.004","1838.58","0.16","110","","110","","","","","","","","","7","P -1","-P 1","2","LS-[Fe(5d)2](BF4)2","","","- C38 H26 B2 Br2 F8 Fe N8 -","- C38 H26 B2 Br2 F8 Fe N8 -","- C76 H52 B4 Br4 F16 Fe2 N16 -","2","1","","Petzold, Holm; Djomgoue, Paul; Hörner, Gerald; Heider, Silvio; Lochenie, Charles; Weber, Birgit; Rueffer, Tobias; Schaarschmidt, Dieter","Spin state variability in Fe2+ complexes of substituted (2-(pyridin-2-yl)-1,10-phenanthroline) ligands as versatile terpyridine analogues","Dalton Trans.","2017","","","","","10.1039/C7DT00422B","","","0.71073","MoKα","","0.0408","0.033","","","0.0792","0.0826","","","","","","1.031","","","","has coordinates","195400","2020-10-21","18:00:00",""
"7042674","12.586","0.0005","12.6635","0.0004","14.9829","0.0005","96.447","0.003","100.639","0.003","110.225","0.004","2161.73","0.15","109.8","0.3","110","","","","","","","","","6","P -1","-P 1","2","[Fe(5e)2](BF4)2","","","- C46 H35 B2 F8 Fe N13 -","- C46 H35 B2 F8 Fe N13 -","- C92 H70 B4 F16 Fe2 N26 -","2","1","","Petzold, Holm; Djomgoue, Paul; Hörner, Gerald; Heider, Silvio; Lochenie, Charles; Weber, Birgit; Rueffer, Tobias; Schaarschmidt, Dieter","Spin state variability in Fe2+ complexes of substituted (2-(pyridin-2-yl)-1,10-phenanthroline) ligands as versatile terpyridine analogues","Dalton Trans.","2017","","","","","10.1039/C7DT00422B","","","0.71073","MoKα","","0.1026","0.0829","","","0.1877","0.1979","","","","","","1.073","","","","has coordinates,has disorder","195400","2020-10-21","18:00:00",""
"7042675","12.074","0.001","12.2201","0.0008","14.8271","0.0008","81.49","0.005","86.353","0.005","113.602","0.007","1964.3","0.3","298","","298","","","","","","","","","7","P -1","-P 1","2","HS-[Fe(5d)2](BF4)2","","","- C38 H26 B2 Br2 F8 Fe N8 -","- C38 H26 B2 Br2 F8 Fe N8 -","- C76 H52 B4 Br4 F16 Fe2 N16 -","2","1","","Petzold, Holm; Djomgoue, Paul; Hörner, Gerald; Heider, Silvio; Lochenie, Charles; Weber, Birgit; Rueffer, Tobias; Schaarschmidt, Dieter","Spin state variability in Fe2+ complexes of substituted (2-(pyridin-2-yl)-1,10-phenanthroline) ligands as versatile terpyridine analogues","Dalton Trans.","2017","","","","","10.1039/C7DT00422B","","","0.71073","MoKα","","0.112","0.0653","","","0.1866","0.2636","","","","","","0.968","","","","has coordinates,has disorder","195400","2020-10-21","18:00:00",""
"7042676","14.703","0.0004","14.7863","0.0003","21.1329","0.0005","90","","103.007","0.002","90","","4476.48","0.19","110","","110","","","","","","","","","6","P 1 21/n 1","-P 2yn","14","[Zn(5e)2](ClO4)2","","","- C46 H35 Cl2 N13 O8 Zn -","- C46 H35 Cl2 N13 O8 Zn -","- C184 H140 Cl8 N52 O32 Zn4 -","4","1","","Petzold, Holm; Djomgoue, Paul; Hörner, Gerald; Heider, Silvio; Lochenie, Charles; Weber, Birgit; Rueffer, Tobias; Schaarschmidt, Dieter","Spin state variability in Fe2+ complexes of substituted (2-(pyridin-2-yl)-1,10-phenanthroline) ligands as versatile terpyridine analogues","Dalton Trans.","2017","","","","","10.1039/C7DT00422B","","","0.71073","MoKα","","0.0494","0.0358","","","0.0795","0.0837","","","","","","1.037","","","","has coordinates","195400","2020-10-21","18:00:00",""
"7042677","15.7622","0.0006","12.2746","0.0003","24.0938","0.0008","90","","107.441","0.004","90","","4447.2","0.3","110","","110","","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","[Fe(5c)2](BF4)2","","","- C36 H26 B2 F8 Fe N6 O2 -","- C36 H26 B2 F8 Fe N6 O2 -","- C144 H104 B8 F32 Fe4 N24 O8 -","4","1","","Petzold, Holm; Djomgoue, Paul; Hörner, Gerald; Heider, Silvio; Lochenie, Charles; Weber, Birgit; Rueffer, Tobias; Schaarschmidt, Dieter","Spin state variability in Fe2+ complexes of substituted (2-(pyridin-2-yl)-1,10-phenanthroline) ligands as versatile terpyridine analogues","Dalton Trans.","2017","","","","","10.1039/C7DT00422B","","","0.71073","MoKα","","0.0641","0.0495","","","0.1206","0.1257","","","","","","1.054","","","","has coordinates,has disorder","195400","2020-10-21","18:00:00",""
"7042678","11.5432","0.0005","11.9637","0.0009","14.2066","0.001","90.196","0.006","95.816","0.005","113.065","0.006","1793.8","0.2","101","2","101","2","","","","","","","","6","P -1","-P 1","2","[Fe(5a)2](BF4)2","","","- C38 H28 B2 F8 Fe N8 -","- C38 H28 B2 F8 Fe N8 -","- C76 H56 B4 F16 Fe2 N16 -","2","1","","Petzold, Holm; Djomgoue, Paul; Hörner, Gerald; Heider, Silvio; Lochenie, Charles; Weber, Birgit; Rueffer, Tobias; Schaarschmidt, Dieter","Spin state variability in Fe2+ complexes of substituted (2-(pyridin-2-yl)-1,10-phenanthroline) ligands as versatile terpyridine analogues","Dalton Trans.","2017","","","","","10.1039/C7DT00422B","","","0.71073","MoKα","","0.0837","0.0694","","","0.178","0.1883","","","","","","1.063","","","","has coordinates,has disorder","195400","2020-10-21","18:00:00",""
"7042679","11.823","0.003","12.984","0.003","14.193","0.003","66.919","0.005","83.382","0.006","84.392","0.005","1987.7","0.8","90","2","90","2","","","","","","","","6","P -1","-P 1","2","","H(CH3CN)(THF)[1]","","- C28.8 H18.5 Cl12 N3.11 O7.15 P -","- C28.804 H18.504 Cl12 N3.104 O7.149 P -","- C57.608 H37.008 Cl24 N6.208 O14.298 P2 -","2","1","","Hazin, Khatera; Serin, Spencer C.; Patrick, Brian O.; Ezhova, Maria B.; Gates, Derek P.","[HL2][P(1,2-O2C6Cl4)3] (L = THF, DMF): Brønsted acid initiators for the polymerization of n-butyl vinyl ether and p-methoxystyrene","Dalton Trans.","2017","","","","","10.1039/C6DT04820J","","x-ray","0.71073","MoKα","","0.0766","0.0552","","","0.1383","0.1503","","","","","","1.052","","","","has coordinates,has disorder","195401","2020-10-21","18:00:00",""
"7042680","11.5738","0.0012","12.1413","0.0013","17.4244","0.0018","96.359","0.006","100.305","0.005","106.108","0.005","2280.9","0.4","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","H(THF)2[1]","","- C36 H27 Cl16 O11 P -","- C36 H27 Cl16 O11 P -","- C72 H54 Cl32 O22 P2 -","2","1","","Hazin, Khatera; Serin, Spencer C.; Patrick, Brian O.; Ezhova, Maria B.; Gates, Derek P.","[HL2][P(1,2-O2C6Cl4)3] (L = THF, DMF): Brønsted acid initiators for the polymerization of n-butyl vinyl ether and p-methoxystyrene","Dalton Trans.","2017","","","","","10.1039/C6DT04820J","","x-ray","0.71073","MoKα","","0.0817","0.0449","","","0.0891","0.1032","","","","","","1.02","","","","has coordinates,has disorder","195401","2020-10-21","18:00:00",""
"7042681","40.2932","0.0019","26.2969","0.0012","16.772","0.0008","90","","104.45","0.002","90","","17209.2","1.4","100","2","100","2","","","","","","","","6","C 1 c 1","C -2yc","9","","H(DMF)2[1]","","- C24.2 H14.4 Cl12.4 N2 O8 P -","- C24.2 H14.4 Cl12.4 N2 O8 P -","- C484 H288 Cl248 N40 O160 P20 -","20","5","","Hazin, Khatera; Serin, Spencer C.; Patrick, Brian O.; Ezhova, Maria B.; Gates, Derek P.","[HL2][P(1,2-O2C6Cl4)3] (L = THF, DMF): Brønsted acid initiators for the polymerization of n-butyl vinyl ether and p-methoxystyrene","Dalton Trans.","2017","","","","","10.1039/C6DT04820J","","x-ray","0.71073","MoKα","","0.0629","0.0539","","","0.1283","0.1346","","","","","","1.053","","","","has coordinates","195401","2020-10-21","18:00:00",""
"7042682","10.3039","0.0008","14.7177","0.0012","18.7453","0.0014","74.574","0.003","87.91","0.003","74.47","0.003","2638.4","0.4","90","2","90","2","","","","","","","","9","P -1","-P 1","2","","","","- C56 H56 B Cl2 Cu F4 N2 O4 P2 -","- C56 H56 B Cl2 Cu F4 N2 O4 P2 -","- C112 H112 B2 Cl4 Cu2 F8 N4 O8 P4 -","2","1","","Costa, Rubén D.; Viciano-Chumillas, Marta; Cano, Joan; wEBER, Michael D; Armentano, Donatella","σ-Hammett Parameter: a Strategy to Enhance Both Photo- and Electro-luminescence Features of Heteroleptic Copper(I) Complexes","Dalton Trans.","2017","","","","","10.1039/C7DT00810D","","","0.71073","MoKα","","0.0849","0.068","","","0.1888","0.2132","","","","","","0.848","","","","has coordinates","195402","2020-10-21","18:00:00",""
"7042683","13.4559","0.0004","19.0621","0.0006","18.778","0.0006","90","","101.705","0.0011","90","","4716.4","0.3","90","2","90","2","","","","","","","","9","P 1 21/c 1","-P 2ybc","14","","","","- C50 H40 B Cl2 Cu F4 N4 O5 P2 -","- C50 H40 B Cl2 Cu F4 N4 O5 P2 -","- C200 H160 B4 Cl8 Cu4 F16 N16 O20 P8 -","4","1","","Costa, Rubén D.; Viciano-Chumillas, Marta; Cano, Joan; wEBER, Michael D; Armentano, Donatella","σ-Hammett Parameter: a Strategy to Enhance Both Photo- and Electro-luminescence Features of Heteroleptic Copper(I) Complexes","Dalton Trans.","2017","","","","","10.1039/C7DT00810D","","","0.71073","MoKα","","0.0443","0.0351","","","0.1","0.1133","","","","","","0.685","","","","has coordinates","195402","2020-10-21","18:00:00",""
"7042684","11.5671","0.0015","12.8076","0.0016","16.809","0.002","80.99","0.006","72.435","0.006","71.587","0.006","2247.4","0.5","296","2","296","2","","","","","","","","8","P -1","-P 1","2","","","","- C51 H44 B Cu F4 N2 O P2 -","- C51 H44 B Cu F4 N2 O P2 -","- C102 H88 B2 Cu2 F8 N4 O2 P4 -","2","1","","Costa, Rubén D.; Viciano-Chumillas, Marta; Cano, Joan; wEBER, Michael D; Armentano, Donatella","σ-Hammett Parameter: a Strategy to Enhance Both Photo- and Electro-luminescence Features of Heteroleptic Copper(I) Complexes","Dalton Trans.","2017","","","","","10.1039/C7DT00810D","","","0.71073","MoKα","","0.0595","0.045","","","0.1523","0.1742","","","","","","0.959","","","","has coordinates","195402","2020-10-21","18:00:00",""
"7042685","10.5556","0.0008","21.7911","0.0016","19.1037","0.0014","90","","96.636","0.004","90","","4364.8","0.6","296","2","296","2","","","","","","","","8","P 1 21/n 1","-P 2yn","14","","","","- C49 H40 B Cu F4 N2 O P2 -","- C49 H40 B Cu F4 N2 O P2 -","- C196 H160 B4 Cu4 F16 N8 O4 P8 -","4","1","","Costa, Rubén D.; Viciano-Chumillas, Marta; Cano, Joan; wEBER, Michael D; Armentano, Donatella","σ-Hammett Parameter: a Strategy to Enhance Both Photo- and Electro-luminescence Features of Heteroleptic Copper(I) Complexes","Dalton Trans.","2017","","","","","10.1039/C7DT00810D","","","0.71073","MoKα","","0.0522","0.0445","","","0.1365","0.148","","","","","","1.04","","","","has coordinates","195402","2020-10-21","18:00:00",""
"7042686","11.7119","0.0004","3.8857","0.0001","8.4363","0.0003","90","","90.1917","0.0016","90","","383.92","0.02","293","","293","","","","","","","","","4","C 1 2/m 1","-C 2y","12","lanthanum_vanadium_selenide_oxide","","","- La O Se2 V -","- La O Se2 V -","- La4 O4 Se8 V4 -","4","0.5","","Peschke, Simon; Gamperl, Lisa; Weippert, Valentin; Johrendt, Dirk","Flux Synthesis, Crystal Structures, and Physical Properties of New Lanthanum Vanadium Oxyselenides","Dalton Trans.","2017","","","","","10.1039/C7DT00779E","","x-ray","0.71073","MoKα","","0.0204","0.0182","","","0.0461","0.0535","","","","1.5","1.5","1.66","","","","has coordinates","195403","2020-10-21","18:00:00",""
"7042687","18.1736","0.0002","3.9112","0.0007","10.467","0.0012","90","","90","","90","","744","0.16","293","","293","","","","","","","","see text","4","P m m n :1","P 2 2ab -1ab","59","","","","- La5 O7 Se6 V3 -","- La5 O7 Se6 V3 -","- La10 O14 Se12 V6 -","2","0.25","","Peschke, Simon; Gamperl, Lisa; Weippert, Valentin; Johrendt, Dirk","Flux Synthesis, Crystal Structures, and Physical Properties of New Lanthanum Vanadium Oxyselenides","Dalton Trans.","2017","","","","","10.1039/C7DT00779E","","x-ray","0.71073","MoKα","","0.0355","0.023","","","0.0474","0.0499","","","","","","1.26","","","","has coordinates","211179","2020-10-21","18:00:00",""
"7042688","16.5036","0.0002","3.9012","0.0007","24.757","0.001","90","","90","","90","","1594","0.3","293","","293","","","","","","","","see text","4","P n m a","-P 2ac 2n","62","lanthanum_vanadium_selenide_oxide","","","- La5 O5 Se7 V3 -","- La5 O5 Se7 V3 -","- La20 O20 Se28 V12 -","4","0.5","","Peschke, Simon; Gamperl, Lisa; Weippert, Valentin; Johrendt, Dirk","Flux Synthesis, Crystal Structures, and Physical Properties of New Lanthanum Vanadium Oxyselenides","Dalton Trans.","2017","","","","","10.1039/C7DT00779E","","x-ray","0.71073","MoKα","","0.0454","0.0237","","","0.0421","0.0472","","","","","","1.03","","","","has coordinates","211179","2020-10-21","18:00:00",""
"7042689","3.9859","0.0002","12.8627","0.0005","32.2904","0.0014","90","","90","","90","","1655.51","0.13","293","2","293","2","","","","","","","","4","C m c m","-C 2c 2","63","","","","- La7 O7 Se5 V -","- La7 O7 Se5 V -","- La28 O28 Se20 V4 -","4","0.25","","Peschke, Simon; Gamperl, Lisa; Weippert, Valentin; Johrendt, Dirk","Flux Synthesis, Crystal Structures, and Physical Properties of New Lanthanum Vanadium Oxyselenides","Dalton Trans.","2017","","","","","10.1039/C7DT00779E","","","0.71073","MoKα","","0.0373","0.0321","","","0.074","0.0793","","","","","","1.132","","","","has coordinates","195403","2020-10-21","18:00:00",""
"7042690","3.9383","0.0001","54.0091","0.0006","18.3488","0.0008","90","","90","","90","","3902.9","0.2","293","","293","","","","","","","","see text","4","C m c 21","C 2c -2","36","","","","- La13 O15 Se16 V7 -","- La13 O15 Se16 V7 -","- La52 O60 Se64 V28 -","4","0.5","","Peschke, Simon; Gamperl, Lisa; Weippert, Valentin; Johrendt, Dirk","Flux Synthesis, Crystal Structures, and Physical Properties of New Lanthanum Vanadium Oxyselenides","Dalton Trans.","2017","","","","","10.1039/C7DT00779E","","x-ray","0.71073","MoKα","","0.0228","0.0174","","","0.0364","0.0383","","","","","","0.99","","","","has coordinates","211179","2020-10-21","18:00:00",""
"7042691","12.1149","0.0002","12.1996","0.0002","28.4817","0.0004","90","","91.1112","0.0015","90","","4208.72","0.11","120","1","120","1","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C49 H48 Cl N O P2 Zr -","- C49 H48 Cl N O P2 Zr -","- C196 H192 Cl4 N4 O4 P8 Zr4 -","4","1","","Sietzen, Malte; Batke, Sonja; Antoni, Patrick W.; Wadepohl, Hubert; Ballmann, Joachim","Benzylene-linked [PNP] scaffolds and their cyclometalated zirconium and hafnium complexes","Dalton Trans.","2017","","","","","10.1039/C7DT00413C","","x-ray","0.71073","MoKα","","0.0677","0.047","","","0.1104","0.1204","","","","","","1.032","","","","has coordinates","195405","2020-10-21","18:00:00",""
"7042692","17.3823","0.0005","17.7265","0.0005","21.7567","0.0005","67.552","0.002","66.932","0.002","66.047","0.003","5435.2","0.3","120","1","120","1","","","","","","","","6","P -1","-P 1","2","","","","- C62 H69 B N P2 Zr -","- C50 H54 B N P2 Zr -","- C200 H216 B4 N4 P8 Zr4 -","4","2","","Sietzen, Malte; Batke, Sonja; Antoni, Patrick W.; Wadepohl, Hubert; Ballmann, Joachim","Benzylene-linked [PNP] scaffolds and their cyclometalated zirconium and hafnium complexes","Dalton Trans.","2017","","","","","10.1039/C7DT00413C","","x-ray","0.71073","MoKα","","0.0758","0.0506","","","0.1148","0.1247","","","","","","1.041","","","","has coordinates","195405","2020-10-21","18:00:00",""
"7042693","12.32855","0.00016","12.57691","0.00019","15.78601","0.00014","104.169","0.001","96.0145","0.0009","116.07","0.0014","2067.45","0.06","120","1","120","1","","","","","","","","7","P -1","-P 1","2","","","","- C39.5 H35 Cl3 I3 N P2 Zr -","- C39.5 H35 Cl3 I3 N P2 Zr -","- C79 H70 Cl6 I6 N2 P4 Zr2 -","2","1","","Sietzen, Malte; Batke, Sonja; Antoni, Patrick W.; Wadepohl, Hubert; Ballmann, Joachim","Benzylene-linked [PNP] scaffolds and their cyclometalated zirconium and hafnium complexes","Dalton Trans.","2017","","","","","10.1039/C7DT00413C","","x-ray","0.71073","MoKα","","0.0271","0.0221","","","0.0456","0.0471","","","","","","1.043","","","","has coordinates,has disorder","195405","2020-10-21","18:00:00",""
"7042694","12.3761","0.0002","17.07238","0.00016","20.163","0.0003","90","","101.943","0.0013","90","","4168.01","0.1","120","1","120","1","","","","","","","","6","P 1 21/c 1","-P 2yn","14","","","","- C45 H40 Hf I3 N P2 -","- C45 H40 Hf I3 N P2 -","- C180 H160 Hf4 I12 N4 P8 -","4","1","","Sietzen, Malte; Batke, Sonja; Antoni, Patrick W.; Wadepohl, Hubert; Ballmann, Joachim","Benzylene-linked [PNP] scaffolds and their cyclometalated zirconium and hafnium complexes","Dalton Trans.","2017","","","","","10.1039/C7DT00413C","","x-ray","0.71073","MoKα","","0.0604","0.0404","","","0.0917","0.0946","","","","","","1.161","","","","has coordinates","195405","2020-10-21","18:00:00",""
"7042695","11.44486","0.00013","17.6843","0.0002","19.9828","0.0003","80.0131","0.0011","88.484","0.001","72.8933","0.001","3805.61","0.09","120","1","120","1","","","","","","","","6","P -1","-P 1","2","","","","- C41.75 H41 Cl3 N P2 Zr -","- C38 H32 Cl3 N P2 Zr -","- C152 H128 Cl12 N4 P8 Zr4 -","4","2","","Sietzen, Malte; Batke, Sonja; Antoni, Patrick W.; Wadepohl, Hubert; Ballmann, Joachim","Benzylene-linked [PNP] scaffolds and their cyclometalated zirconium and hafnium complexes","Dalton Trans.","2017","","","","","10.1039/C7DT00413C","","x-ray","1.54184","CuKα","","0.0272","0.0251","","","0.0601","0.0611","","","","","","1.053","","","","has coordinates","195405","2020-10-21","18:00:00",""
"7042696","18.9791","0.0003","11.1202","0.00016","38.2266","0.0005","90","","101.128","0.0014","90","","7916.1","0.2","120","1","120","1","","","","","","","","7","I 1 2/a 1","-I 2ya","15","","","","- C47 H45 Cl N O0.5 P2 Zr -","- C45 H40 Cl N P2 Zr -","- C360 H320 Cl8 N8 P16 Zr8 -","8","1","","Sietzen, Malte; Batke, Sonja; Antoni, Patrick W.; Wadepohl, Hubert; Ballmann, Joachim","Benzylene-linked [PNP] scaffolds and their cyclometalated zirconium and hafnium complexes","Dalton Trans.","2017","","","","","10.1039/C7DT00413C","","x-ray","0.71073","MoKα","","0.0479","0.0342","","","0.0759","0.081","","","","","","1.024","","","","has coordinates","195405","2020-10-21","18:00:00",""
"7042697","12.22","0.005","16.92","0.007","19.864","0.009","90","","106.052","0.01","90","","3947","3","100","2","100","1","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C39 H34 Cl2 I3 N P2 Zr -","- C39 H34 Cl2 I3 N P2 Zr -","- C156 H136 Cl8 I12 N4 P8 Zr4 -","4","1","","Sietzen, Malte; Batke, Sonja; Antoni, Patrick W.; Wadepohl, Hubert; Ballmann, Joachim","Benzylene-linked [PNP] scaffolds and their cyclometalated zirconium and hafnium complexes","Dalton Trans.","2017","","","","","10.1039/C7DT00413C","","x-ray","0.71073","MoKα","","0.03","0.0223","","","0.047","0.05","","","","","","1.045","","","","has coordinates,has disorder","195405","2020-10-21","18:00:00",""
"7042698","12.47419","0.00013","12.67913","0.00018","14.64329","0.00019","81.2172","0.0011","85.5974","0.0009","61.4891","0.0012","2011.26","0.05","120","1","120","1","","","","","","","","5","P -1","-P 1","2","","","","- C44 H50 Hf N4 P2 -","- C44 H50 Hf N4 P2 -","- C88 H100 Hf2 N8 P4 -","2","1","","Sietzen, Malte; Batke, Sonja; Antoni, Patrick W.; Wadepohl, Hubert; Ballmann, Joachim","Benzylene-linked [PNP] scaffolds and their cyclometalated zirconium and hafnium complexes","Dalton Trans.","2017","","","","","10.1039/C7DT00413C","","x-ray","0.71073","MoKα","","0.0285","0.0237","","","0.0514","0.0527","","","","","","1.104","","","","has coordinates","195405","2020-10-21","18:00:00",""
"7042699","10.66534","0.00012","12.26799","0.00017","13.5293","0.00018","111.462","0.0012","107.24","0.0011","96.1928","0.001","1526.14","0.04","120","1","120","1","","","","","","","","4","P -1","-P 1","2","","","","- C38 H33 N P2 -","- C38 H33 N P2 -","- C76 H66 N2 P4 -","2","1","","Sietzen, Malte; Batke, Sonja; Antoni, Patrick W.; Wadepohl, Hubert; Ballmann, Joachim","Benzylene-linked [PNP] scaffolds and their cyclometalated zirconium and hafnium complexes","Dalton Trans.","2017","","","","","10.1039/C7DT00413C","","x-ray","0.71073","MoKα","","0.0598","0.052","","","0.1049","0.1078","","","","","","1.187","","","","has coordinates","195405","2020-10-21","18:00:00",""
"7042700","12.05585","0.00007","12.17458","0.00006","28.6103","0.0002","90","","91.9077","0.0006","90","","4196.95","0.04","120","1","120","1","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C49 H48 Cl Hf N O P2 -","- C49 H48 Cl Hf N O P2 -","- C196 H192 Cl4 Hf4 N4 O4 P8 -","4","1","","Sietzen, Malte; Batke, Sonja; Antoni, Patrick W.; Wadepohl, Hubert; Ballmann, Joachim","Benzylene-linked [PNP] scaffolds and their cyclometalated zirconium and hafnium complexes","Dalton Trans.","2017","","","","","10.1039/C7DT00413C","","x-ray","1.54184","CuKα","","0.0303","0.0288","","","0.0693","0.07","","","","","","1.118","","","","has coordinates","195405","2020-10-21","18:00:00",""
"7042701","14.04739","0.00015","12.35375","0.00014","28.0234","0.0003","90","","98.1365","0.001","90","","4814.17","0.09","120","1","120","1","","","","","","","","5","P 1 21/c 1","-P 2yn","14","","","","- C52 H45 N P2 Zr -","- C52 H45 N P2 Zr -","- C208 H180 N4 P8 Zr4 -","4","1","","Sietzen, Malte; Batke, Sonja; Antoni, Patrick W.; Wadepohl, Hubert; Ballmann, Joachim","Benzylene-linked [PNP] scaffolds and their cyclometalated zirconium and hafnium complexes","Dalton Trans.","2017","","","","","10.1039/C7DT00413C","","x-ray","0.71073","MoKα","","0.0643","0.0553","","","0.1086","0.1118","","","","","","1.19","","","","has coordinates","195405","2020-10-21","18:00:00",""
"7042702","9.2288","0.0003","21.6436","0.0006","5.79719","0.00018","90","","90","","90","","1157.96","0.06","293","2","293","2","","","","","","","","5","C m c m","-C 2c 2","63","","","","- C7 H4 N4 O3 Pb3 -","- C7 H4 N4 O3 Pb3 -","- C28 H16 N16 O12 Pb12 -","4","0.25","","Luo, Xuan; Zhang, Xiao; Duan, Yuanling; Wang, Xiaolin; Zhao, Jiaming","A novel luminescent Pb(II) - organic framework exhibiting rapid and selective detection of trace amount of NACs and Fe3+ with excellent recyclability","Dalton Trans.","2017","","","","","10.1039/C7DT00715A","","x-ray","0.71073","MoKα","","0.0275","0.0239","","","0.0578","0.06","","","","","","1.077","","","","has coordinates,has disorder","195406","2020-10-21","18:00:00",""
"7042703","13.077","0.003","10.396","0.002","15.667","0.003","90","","109.261","0.002","90","","2010.7","0.7","298","2","298","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C24 H20 N2 O4 -","- C24 H20 N2 O4 -","- C96 H80 N8 O16 -","4","0.5","","Cetin, Muhammet Mustafa; Hodson, Roman T.; Hart, C. Robin; Cordes, David Bradford; Findlater, Michael; Casadonte, Dominick J.; Cozzolino, Anthony Frank; Mayer, Michael Frederick","Synthesis, structural characterization, photophysical properties, DFT and TDDFT calculations, and photoredox catalysis studies of 2,9-di(aryl)-1,10-phenanthroline copper (I) complexes","Dalton Trans.","2017","","","","","10.1039/C7DT00400A","","","0.71073","MoKα","","0.0619","0.0423","","","0.1062","0.1183","","","","","","1.046","","","","has coordinates","195407","2020-10-21","18:00:00",""
"7042704","17.6523","0.0018","17.6523","0.0018","12.1223","0.0013","90","","90","","120","","3271.3","0.6","173","2","173","2","","","","","","","","4","P 61","P 61","169","","","","- C26 H24 N2 O4 -","- C26 H20 N2 O2 -","- C156 H120 N12 O12 -","6","1","","Cetin, Muhammet Mustafa; Hodson, Roman T.; Hart, C. Robin; Cordes, David Bradford; Findlater, Michael; Casadonte, Dominick J.; Cozzolino, Anthony Frank; Mayer, Michael Frederick","Synthesis, structural characterization, photophysical properties, DFT and TDDFT calculations, and photoredox catalysis studies of 2,9-di(aryl)-1,10-phenanthroline copper (I) complexes","Dalton Trans.","2017","","","","","10.1039/C7DT00400A","","","0.71075","MoKα","","0.1375","0.0809","","","0.1659","0.1941","","","","","","1.047","","","","has coordinates","195407","2020-10-21","18:00:00",""
"7042705","8.3697","0.0016","32.873","0.006","18.214","0.003","90","","93.458","0.003","90","","5002.2","1.6","100","2","100","2","","","","","","","","7","C 1 2/c 1","-C 2yc","15","","","","- C58 H51 Cu F6 N5 O4 P -","- C58 H51 Cu F6 N5 O4 P -","- C232 H204 Cu4 F24 N20 O16 P4 -","4","0.5","","Cetin, Muhammet Mustafa; Hodson, Roman T.; Hart, C. Robin; Cordes, David Bradford; Findlater, Michael; Casadonte, Dominick J.; Cozzolino, Anthony Frank; Mayer, Michael Frederick","Synthesis, structural characterization, photophysical properties, DFT and TDDFT calculations, and photoredox catalysis studies of 2,9-di(aryl)-1,10-phenanthroline copper (I) complexes","Dalton Trans.","2017","","","","","10.1039/C7DT00400A","","","0.71073","MoKα","","0.1174","0.0544","","","0.0927","0.1103","","","","","","1.007","","","","has coordinates","195407","2020-10-21","18:00:00",""
"7042706","13.724","0.004","14.159","0.004","14.164","0.004","63.174","0.004","61.26","0.003","73.411","0.004","2145.3","1.1","100","2","100","2","","","","","","","","7","P -1","-P 1","2","","","","- C52 H40 Cu F6 N4 O4 P -","- C52 H40 Cu F6 N4 O4 P -","- C104 H80 Cu2 F12 N8 O8 P2 -","2","1","","Cetin, Muhammet Mustafa; Hodson, Roman T.; Hart, C. Robin; Cordes, David Bradford; Findlater, Michael; Casadonte, Dominick J.; Cozzolino, Anthony Frank; Mayer, Michael Frederick","Synthesis, structural characterization, photophysical properties, DFT and TDDFT calculations, and photoredox catalysis studies of 2,9-di(aryl)-1,10-phenanthroline copper (I) complexes","Dalton Trans.","2017","","","","","10.1039/C7DT00400A","","","0.71073","MoKα","","0.0999","0.0713","","","0.205","0.2248","","","","","","1.075","","","","has coordinates","195407","2020-10-21","18:00:00",""
"7042707","13.844","0.001","14.496","0.0015","14.9176","0.0012","63.479","0.004","77.978","0.003","63.351","0.002","2394","0.4","123","","123","","","","","","","","","6","P -1","-P 1","2","","","","- C86 H116 Er4 N14 Na2 O30 -","- C86 H112 Er4 N14 Na2 O30 -","- C86 H112 Er4 N14 Na2 O30 -","1","0.5","","Konstantatos, Andreas; Sørensen, Mikkel A.; Bendix, Jesper; Weihe, Høgni","Lanthanide coordination complexes framed by sodium ions: Slow relaxation of the magnetization in the Dy(ΙΙΙ) derivative.","Dalton Trans.","2017","","","","","10.1039/C7DT00863E","","","0.71073","MoKα","","0.0542","0.034","","","0.0754","0.0829","","","","","","1.0171","","","","has coordinates","195408","2020-10-21","18:00:00",""
"7042708","13.847","0.002","14.479","0.002","14.893","0.002","63.278","0.005","77.736","0.005","63.411","0.005","2384.7","0.6","123","","123","","","","","","","","","6","P -1","-P 1","2","","","","- C86 H116 Ho4 N14 Na2 O30 -","- C86 H116 Ho4 N14 Na2 O30 -","- C86 H116 Ho4 N14 Na2 O30 -","1","0.5","","Konstantatos, Andreas; Sørensen, Mikkel A.; Bendix, Jesper; Weihe, Høgni","Lanthanide coordination complexes framed by sodium ions: Slow relaxation of the magnetization in the Dy(ΙΙΙ) derivative.","Dalton Trans.","2017","","","","","10.1039/C7DT00863E","","","0.71073","MoKα","","0.042","0.0264","","","0.0583","0.0648","","","","","","1.065","","","","has coordinates","195408","2020-10-21","18:00:00",""
"7042709","13.8695","0.0019","14.496","0.002","14.939","0.002","63.281","0.004","77.573","0.005","63.296","0.004","2396.3","0.6","123","","123","","","","","","","","","6","P -1","-P 1","2","","","","- C86 H116 Dy4 N14 Na2 O30 -","- C86 H112 Dy4 N14 Na2 O30 -","- C86 H112 Dy4 N14 Na2 O30 -","1","0.5","","Konstantatos, Andreas; Sørensen, Mikkel A.; Bendix, Jesper; Weihe, Høgni","Lanthanide coordination complexes framed by sodium ions: Slow relaxation of the magnetization in the Dy(ΙΙΙ) derivative.","Dalton Trans.","2017","","","","","10.1039/C7DT00863E","","","0.71073","MoKα","","0.0448","0.0334","","","0.0772","0.0862","","","","","","1.0724","","","","has coordinates","195408","2020-10-21","18:00:00",""
"7042710","16.1559","0.0003","16.1559","0.0003","25.6568","0.0006","90","","90","","120","","5799.6","0.2","110","2","110","2","","","","","","","","5","R 3 c :H","R 3 -2""c","161","","[Cu(TpPh2)(C2H4)]","","- C47 H38 B Cu N6 -","- C46.9998 H37.9996 B Cu N6 -","- C281.999 H227.998 B6 Cu6 N36 -","6","0.333333","","van Dijkman, Thomas F.; de Bruijn, Hans M.; Brevé, Tobias G; van Meijeren, Bob; Siegler, Maxime A.; Bouwman, Elisabeth","Extremely bulky copper(I) complexes of [HB(3,5-{1-naphthyl}2pz)3]‒ and [HB(3,5-{2-naphthyl}2pz)3]‒ and their self-assembly on graphene.","Dalton Trans.","2017","","","","","10.1039/C6DT04851J","","","1.54178","CuKα","","0.0201","0.02","","","0.0534","0.0535","","","","","","1.055","","","","has coordinates,has disorder","195481","2020-10-21","18:00:00",""
"7042711","33.0952","0.0009","10.6204","0.0003","35.1414","0.001","90","","111.348","0.003","90","","11504.2","0.6","110","2","110","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","[Cu(Tp(2Nt)2)(C2H4)].1.5CH2Cl2","","- C145 H106 B2 Cl6 Cu2 N12 -","- C145 H106 B2 Cl6 Cu2 N12 -","- C580 H424 B8 Cl24 Cu8 N48 -","4","0.5","","van Dijkman, Thomas F.; de Bruijn, Hans M.; Brevé, Tobias G; van Meijeren, Bob; Siegler, Maxime A.; Bouwman, Elisabeth","Extremely bulky copper(I) complexes of [HB(3,5-{1-naphthyl}2pz)3]‒ and [HB(3,5-{2-naphthyl}2pz)3]‒ and their self-assembly on graphene.","Dalton Trans.","2017","","","","","10.1039/C6DT04851J","","","1.54178","CuKα","","0.0395","0.0345","","","0.0849","0.0889","","","","","","1.04","","","","has coordinates,has disorder","195481","2020-10-21","18:00:00",""
"7042712","7.936","0.002","12.276","0.003","25.751","0.007","90","","94.987","0.006","90","","2499.2","1.1","100","2","100","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C36 H80 I4 N8 O3 Zn2 -","- C36 H80 I4 N8 O3 Zn2 -","- C72 H160 I8 N16 O6 Zn4 -","2","0.5","","Okuda, Jun; Mukherjee, Debabarata; Spaniol, Thomas Paul; Wiegand, Ann-Kristin","Zinc hydridotriphenylborates suppported by a neutral macrocyclic polyamine","Dalton Trans.","2017","","","","","10.1039/C7DT01094J","","","0.71073","MoKα","","0.0949","0.059","","","0.1357","0.1489","","","","","","1.024","","","","has coordinates,has disorder","195531","2020-10-21","18:00:00",""
"7042713","17.691","0.002","20.439","0.003","17.778","0.002","90","","90","","90","","6428.3","1.4","100","2","100","2","","","","","","","","7","P b c a","-P 2ac 2ab","61","","","","- C31 H44 B I N4 O2 Zn -","- C31 H44 B I N4 O2 Zn -","- C248 H352 B8 I8 N32 O16 Zn8 -","8","1","","Okuda, Jun; Mukherjee, Debabarata; Spaniol, Thomas Paul; Wiegand, Ann-Kristin","Zinc hydridotriphenylborates suppported by a neutral macrocyclic polyamine","Dalton Trans.","2017","","","","","10.1039/C7DT01094J","","","0.71073","MoKα","","0.0983","0.059","","","0.1458","0.1685","","","","","","1.017","","","","has coordinates,has disorder","195531","2020-10-21","18:00:00",""
"7042714","16.619","0.005","9.831","0.003","21.995","0.007","90","","103.977","0.005","90","","3487.2","1.9","100","2","100","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C34 H52 B I N4 O Zn -","- C34 H52 B I N4 O Zn -","- C136 H208 B4 I4 N16 O4 Zn4 -","4","1","","Okuda, Jun; Mukherjee, Debabarata; Spaniol, Thomas Paul; Wiegand, Ann-Kristin","Zinc hydridotriphenylborates suppported by a neutral macrocyclic polyamine","Dalton Trans.","2017","","","","","10.1039/C7DT01094J","","","0.71073","MoKα","","0.0792","0.0471","","","0.0974","0.1048","","","","","","0.929","","","","has coordinates,has disorder","195531","2020-10-21","18:00:00",""
"7042715","13.6958","0.0005","26.0232","0.0009","18.4253","0.0006","90","","95.8827","0.0017","90","","6532.4","0.4","100","2","100","","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","Mn(THF)(ALCl2)(CO)3(CNArDipp2)2","","","- C69 H82 Al Cl2 Mn N2 O4 -","- C69 H82 Al Cl2 Mn N2 O4 -","- C276 H328 Al4 Cl8 Mn4 N8 O16 -","4","1","","Figueroa, Joshua S.; Agnew, Douglas W.; Moore, Curtis E.; Rheingold, Arnold L.","Comparison of Nucleophilic- and Radical-Based Routes to the Formation of Manganese-Main Group Element Single Bonds","Dalton Trans.","2017","","","","","10.1039/C7DT01102D","","x-ray","0.71073","MoKα","K-L~3~","0.0775","0.0536","","","0.1073","0.117","","","","","","1.065","","","","has coordinates","195532","2020-10-21","18:00:00",""
"7042716","17.0881","0.001","16.5315","0.0009","24.8358","0.0014","90","","105.362","0.001","90","","6765.2","0.7","273","2","273.15","","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","Mn(BiCl2)(CO)3(CNArDipp2)2","","","- C73 H89 Bi Cl2 Mn N2 O5 -","- C73 H89 Bi Cl2 Mn N2 O5 -","- C292 H356 Bi4 Cl8 Mn4 N8 O20 -","4","1","","Figueroa, Joshua S.; Agnew, Douglas W.; Moore, Curtis E.; Rheingold, Arnold L.","Comparison of Nucleophilic- and Radical-Based Routes to the Formation of Manganese-Main Group Element Single Bonds","Dalton Trans.","2017","","","","","10.1039/C7DT01102D","","x-ray","0.71073","MoKα","","0.0778","0.0612","","","0.1749","0.1873","","","","","","1.058","","","","has coordinates","195532","2020-10-21","18:00:00",""
"7042717","15.9656","0.0004","17.3952","0.0004","25.1885","0.0006","90","","101.809","0.001","90","","6847.4","0.3","100","","100","","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","Mn(SbF2)(CO)3(CNArDipp2)2_2(pyr)","","","- C75 H84 F2 Mn N4 O3 Sb -","- C75 H84 F2 Mn N4 O3 Sb -","- C300 H336 F8 Mn4 N16 O12 Sb4 -","4","1","","Figueroa, Joshua S.; Agnew, Douglas W.; Moore, Curtis E.; Rheingold, Arnold L.","Comparison of Nucleophilic- and Radical-Based Routes to the Formation of Manganese-Main Group Element Single Bonds","Dalton Trans.","2017","","","","","10.1039/C7DT01102D","","x-ray","0.71073","MoKα","","0.0585","0.0445","","","0.1213","0.1308","","","","","","1.032","","","","has coordinates,has disorder","195532","2020-10-21","18:00:00",""
"7042718","19.1678","0.0005","16.5149","0.0004","20.6165","0.0005","90","","114.102","0.001","90","","5957.3","0.3","100","2","100","","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","Mn(FHF)(CO)3(CNArDipp2)","","","- C67 H79.57 F2 Mn N2 O3.47 -","- C67 H79.568 F2 Mn N2 O3.466 -","- C268 H318.272 F8 Mn4 N8 O13.864 -","4","1","","Figueroa, Joshua S.; Agnew, Douglas W.; Moore, Curtis E.; Rheingold, Arnold L.","Comparison of Nucleophilic- and Radical-Based Routes to the Formation of Manganese-Main Group Element Single Bonds","Dalton Trans.","2017","","","","","10.1039/C7DT01102D","","x-ray","1.54178","CuKα","K-L~3~","0.0529","0.0462","","","0.1251","0.1307","","","","","","1.034","","","","has coordinates,has disorder","195532","2020-10-21","18:00:00",""
"7042719","10.6728","0.0016","14.952","0.0019","25.04","0.006","90.772","0.009","95.147","0.01","101.478","0.005","3898.2","1.2","153","2","153","2","","","","","","","","4","P -1","-P 1","2","","","","- C64 H26 Cd9 O52 -","- C64 H26 Cd9 O52 -","- C128 H52 Cd18 O104 -","2","1","","Song, Xuezhi; Gao, Liguo; Wang, Yuxiang; Chen, Xiaolei; Qiao, Liang; Tan, Zhenquan","Assembling hierarchical metal-oxygen building units with a semirigid tetracarboxylate ligand to a three-dimensional framework for nitrobenzene sensing","Dalton Trans.","2017","","","","","10.1039/C7DT00888K","","","0.71076","MoKα","","0.055","0.0502","","","0.114","0.1169","","","","","","1.046","","","","has coordinates","198632","2020-10-21","18:00:00",""
"7042720","25.362","0.002","6.4647","0.0005","21.7366","0.0016","90","","93.377","0.003","90","","3557.7","0.5","147","2","147","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C20 H30 Bi Br -","- C20 H30 Bi Br -","- C160 H240 Bi8 Br8 -","8","1","","Armstrong, David; Taullaj, Fioralba; Singh, Kamalpreet; Mirabi, Bijan; Lough, Alan; Fekl, Ulrich Werner","Adamantyl Metal Complexes: New Routes to Adamantyl Anions and New Transmetallations","Dalton Trans.","2017","","","","","10.1039/C7DT00428A","","","0.71073","MoKα","","0.0456","0.0284","","","0.0543","0.0588","","","","","","1.044","","","","has coordinates","195612","2020-10-21","18:00:00",""
"7042721","10.7437","0.0004","10.9461","0.0005","11.8493","0.0005","86.964","0.002","66.11","0.002","78.578","0.002","1248.3","0.09","147","2","147","2","","","","","","","","4","P -1","-P 1","2","","","","- C30 H38 N2 Zn -","- C30 H38 N2 Zn -","- C60 H76 N4 Zn2 -","2","1","","Armstrong, David; Taullaj, Fioralba; Singh, Kamalpreet; Mirabi, Bijan; Lough, Alan; Fekl, Ulrich Werner","Adamantyl Metal Complexes: New Routes to Adamantyl Anions and New Transmetallations","Dalton Trans.","2017","","","","","10.1039/C7DT00428A","","","1.54178","CuKα","","0.0398","0.0318","","","0.0768","0.081","","","","","","1.041","","","","has coordinates,has disorder","195612","2020-10-21","18:00:00",""
"7042722","10.5819","0.001","11.0816","0.001","11.7087","0.0011","87.754","0.003","66.311","0.003","78.315","0.003","1229.9","0.2","147","2","147","2","","","","","","","","4","P -1","-P 1","2","","","","- C30 H38 N2 Zn -","- C30 H38 N2 Zn -","- C60 H76 N4 Zn2 -","2","1","","Armstrong, David; Taullaj, Fioralba; Singh, Kamalpreet; Mirabi, Bijan; Lough, Alan; Fekl, Ulrich Werner","Adamantyl Metal Complexes: New Routes to Adamantyl Anions and New Transmetallations","Dalton Trans.","2017","","","","","10.1039/C7DT00428A","","","0.71073","MoKα","","0.0382","0.0274","","","0.0587","0.0625","","","","","","1.039","","","","has coordinates","195612","2020-10-21","18:00:00",""
"7042723","31.365","0.003","11.1433","0.001","20.942","0.002","90","","123.019","0.002","90","","6137.3","1","150","2","150","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C34 H54 Au P -","- C34 H54 Au P -","- C272 H432 Au8 P8 -","8","1","","Armstrong, David; Taullaj, Fioralba; Singh, Kamalpreet; Mirabi, Bijan; Lough, Alan; Fekl, Ulrich Werner","Adamantyl Metal Complexes: New Routes to Adamantyl Anions and New Transmetallations","Dalton Trans.","2017","","","","","10.1039/C7DT00428A","","","0.71073","MoKα","","0.0421","0.0256","","","0.0431","0.0495","","","","","","1.086","","","","has coordinates,has disorder","195612","2020-10-21","18:00:00",""
"7042724","10.1522","0.0013","10.8738","0.0014","10.879","0.0013","84.635","0.004","73.822","0.004","78.439","0.004","1129.1","0.2","147","2","147","2","","","","","","","","4","P -1","-P 1","2","","","","- C28 H30 Au P -","- C28 H30 Au P -","- C56 H60 Au2 P2 -","2","1","","Armstrong, David; Taullaj, Fioralba; Singh, Kamalpreet; Mirabi, Bijan; Lough, Alan; Fekl, Ulrich Werner","Adamantyl Metal Complexes: New Routes to Adamantyl Anions and New Transmetallations","Dalton Trans.","2017","","","","","10.1039/C7DT00428A","","","0.71073","MoKα","","0.0382","0.0248","","","0.0435","0.0466","","","","","","1.029","","","","has coordinates","195612","2020-10-21","18:00:00",""
"7042725","17.5649","0.0009","19.2624","0.001","26.7346","0.0012","90","","100.137","0.002","90","","8904.2","0.8","100","2","100","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C201 H190 Eu4 N8 O34 -","- C201 H190 Eu4 N8 O34 -","- C402 H380 Eu8 N16 O68 -","2","1","","Casanovas, Berta; Zinna, Francesco; Di Bari, Lorenzo; El Fallah, M. Salah; Font-Bardía, Mercè; Vicente, Ramon","Circularly Polarized Luminescence on dinuclear Tb(III) and Eu(III) complexes with (S-) and (R-) 2-Phenylpropionate","Dalton Trans.","2017","","","","","10.1039/C6DT04686J","","","0.71073","MoKα","","0.0596","0.0283","","","0.0457","0.0493","","","","","","0.941","","","","has coordinates,has disorder","198632","2020-10-21","18:00:00",""
"7042726","17.6062","0.0011","19.2507","0.0012","26.6339","0.0015","90","","99.98","0.002","90","","8890.5","0.9","100","2","100","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C201 H190 N8 O34 Tb4 -","- C201 H190 N8 O34 Tb4 -","- C402 H380 N16 O68 Tb8 -","2","1","","Casanovas, Berta; Zinna, Francesco; Di Bari, Lorenzo; El Fallah, M. Salah; Font-Bardía, Mercè; Vicente, Ramon","Circularly Polarized Luminescence on dinuclear Tb(III) and Eu(III) complexes with (S-) and (R-) 2-Phenylpropionate","Dalton Trans.","2017","","","","","10.1039/C6DT04686J","","","0.71073","MoKα","","0.0613","0.0427","","","0.0818","0.0887","","","","","","1.015","","","","has coordinates,has disorder","195613","2020-10-21","18:00:00",""
"7042727","17.5789","0.001","19.2932","0.0011","26.7404","0.0013","90","","99.993","0.002","90","","8931.5","0.8","100","2","100","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C201 H190 Eu4 N8 O34 -","- C201 H190 Eu4 N8 O34 -","- C402 H380 Eu8 N16 O68 -","2","1","","Casanovas, Berta; Zinna, Francesco; Di Bari, Lorenzo; El Fallah, M. Salah; Font-Bardía, Mercè; Vicente, Ramon","Circularly Polarized Luminescence on dinuclear Tb(III) and Eu(III) complexes with (S-) and (R-) 2-Phenylpropionate","Dalton Trans.","2017","","","","","10.1039/C6DT04686J","","","0.71073","MoKα","","0.041","0.0317","","","0.0655","0.0694","","","","","","1.027","","","","has coordinates,has disorder","195613","2020-10-21","18:00:00",""
"7042728","17.5693","0.0009","19.2449","0.001","26.629","0.0013","90","","99.938","0.002","90","","8868.7","0.8","100","2","100","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C201 H190 N8 O34 Tb4 -","- C201 H190 N8 O34 Tb4 -","- C402 H380 N16 O68 Tb8 -","2","1","","Casanovas, Berta; Zinna, Francesco; Di Bari, Lorenzo; El Fallah, M. Salah; Font-Bardía, Mercè; Vicente, Ramon","Circularly Polarized Luminescence on dinuclear Tb(III) and Eu(III) complexes with (S-) and (R-) 2-Phenylpropionate","Dalton Trans.","2017","","","","","10.1039/C6DT04686J","","","0.71073","MoKα","","0.0465","0.0394","","","0.0851","0.0886","","","","","","1.05","","","","has coordinates,has disorder","195613","2020-10-21","18:00:00",""
"7042729","7.711","0.0015","18.586","0.004","20.928","0.004","90","","90","","90","","2999.3","1","293","2","293","2","","","","","","","","5","P n a 21","P 2c -2n","33","","","","- C16 H6 Ag8 N8 O18 -","- C16 H6 Ag8 N8 O18 -","- C64 H24 Ag32 N32 O72 -","4","1","","Zhang, Tianle; Zhu, Jin-jin; Hu, Peng; Zhou, Ke-ke; Li, Bao","Silver(I)-organic frameworks constructed from silver(I) 3,6-pyrazyldiethynide and 3,8-1,10-phenanthrolyldiethynide complexes","Dalton Trans.","2017","","","","","10.1039/C7DT01061C","","","0.71073","MoKα","","0.0682","0.0636","","","0.1747","0.1826","","","","","","1.029","","","","has coordinates,has disorder","195614","2020-10-21","18:00:00",""
"7042730","8.4999","0.0011","8.8716","0.0011","10.0953","0.0013","78.997","0.002","80.015","0.002","81.741","0.002","731.12","0.16","298","2","298","2","","","","","","","","5","P -1","-P 1","2","","","","- C8 H2 Ag5 N5 O9 -","- C8 H2 Ag5 N5 O9 -","- C16 H4 Ag10 N10 O18 -","2","1","","Zhang, Tianle; Zhu, Jin-jin; Hu, Peng; Zhou, Ke-ke; Li, Bao","Silver(I)-organic frameworks constructed from silver(I) 3,6-pyrazyldiethynide and 3,8-1,10-phenanthrolyldiethynide complexes","Dalton Trans.","2017","","","","","10.1039/C7DT01061C","","","0.71073","MoKα","","0.082","0.0749","","","0.1907","0.1972","","","","","","1.061","","","","has coordinates","195614","2020-10-21","18:00:00",""
"7042731","6.2649","0.001","8.2062","0.001","33.649","0.006","96.66","0.02","94.77","0.02","92.07","0.02","1710.5","0.5","150","2","150","2","","","","","","","","5","P -1","-P 1","2","","","","- C13 H23 Ca N O9 -","- C13 H23 Ca N O9 -","- C52 H92 Ca4 N4 O36 -","4","2","","Schmitt, Wolfgang; Marzec, Bartosz; Zhang, Lei; Zhu, Nian Yong","Bio-inspired synthetic approaches: From hierarchical, hybrid supramolecular assemblies to CaCO3-based microspheres","Dalton Trans.","2017","","","","","10.1039/C7DT00914C","","","0.71073","MoKα","","0.0677","0.0514","","","0.1191","0.1316","","","","","","1.044","","","","has coordinates,has disorder","195642","2020-10-21","18:00:00",""
"7042732","20.8466","0.0003","16.4944","0.0003","23.9629","0.0004","90","","92.623","0.001","90","","8231.1","0.2","173","2","173","2","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C62 H83 Cl3 N10 O16 Si6 Zn3 -","- C62 H83 Cl3 N10 O16 Si6 Zn3 -","- C248 H332 Cl12 N40 O64 Si24 Zn12 -","4","1","","Lee, Sangseok; Lee, Haeri; Jung, Ok-Sang","A sandwich-shaped M3L2 zinc(ii) complex containing 1,3,5-tris(dimethyl(pyridin-3-yl)silyl)benzene: selective photoluminescence recognition of diiodomethane","Dalton Trans.","2017","","","","","10.1039/C7DT01138E","","","0.71073","MoKα","","0.0811","0.0509","","","0.1513","0.1631","","","","","","1","","","","has coordinates,has disorder","195643","2020-10-21","18:00:00",""
"7042733","13.8319","0.0004","14.3956","0.0004","16.1575","0.0005","68.116","0.003","67.267","0.003","85.184","0.002","2746.71","0.17","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C128 H148 N6 O6 Yb2 -","- C128 H148 N6 O6 Yb2 -","- C128 H148 N6 O6 Yb2 -","1","0.5","","Gong, Chao; Ding, Hao; Lu, Chengrong; Zhao, Bei; Yao, Yingming","An amidato divalent ytterbium cluster: synthesis and molecular structure, its reactivity to carbodiimides and application in the guanylation reaction","Dalton Trans.","2017","","","","","10.1039/C7DT00871F","","","0.7107","MoKα","","0.0448","0.0357","","","0.0791","0.0861","","","","","","1.062","","","","has coordinates,has disorder","195644","2020-10-21","18:00:00",""
"7042734","13.9951","0.0004","21.5347","0.0007","23.3361","0.0008","70.496","0.003","80.596","0.003","79.095","0.003","6471.5","0.4","223","2","223","2","","","","","","","","5","P -1","-P 1","2","","","","- C128 H148 N6 O6 Yb3 -","- C128 H148 N6 O6 Yb3 -","- C256 H296 N12 O12 Yb6 -","2","1","","Gong, Chao; Ding, Hao; Lu, Chengrong; Zhao, Bei; Yao, Yingming","An amidato divalent ytterbium cluster: synthesis and molecular structure, its reactivity to carbodiimides and application in the guanylation reaction","Dalton Trans.","2017","","","","","10.1039/C7DT00871F","","","0.71073","MoKα","","0.0594","0.037","","","0.0915","0.0997","","","","","","1.064","","","","has coordinates","208944","2020-10-21","18:00:00",""
"7042735","14.2348","0.0004","16.1058","0.0005","23.8596","0.0009","103.924","0.003","96.231","0.003","108.738","0.003","4924.1","0.3","293.01","0.1","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C104 H126 N6 O4 Yb2 -","- C104 H126 N6 O4 Yb2 -","- C208 H252 N12 O8 Yb4 -","2","1","","Gong, Chao; Ding, Hao; Lu, Chengrong; Zhao, Bei; Yao, Yingming","An amidato divalent ytterbium cluster: synthesis and molecular structure, its reactivity to carbodiimides and application in the guanylation reaction","Dalton Trans.","2017","","","","","10.1039/C7DT00871F","","","0.71073","MoKα","","0.1094","0.0643","","","0.1337","0.1486","","","","","","1.096","","","","has coordinates,has disorder","195644","2020-10-21","18:00:00",""
"7042736","29.2664","0.0003","14.09698","0.00013","33.5205","0.0004","90","","98.7237","0.001","90","","13669.5","0.3","293","2","293","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C151 H183 N9 O8 Yb3 -","- C151 H183 N9 O8 Yb3 -","- C604 H732 N36 O32 Yb12 -","4","1","","Gong, Chao; Ding, Hao; Lu, Chengrong; Zhao, Bei; Yao, Yingming","An amidato divalent ytterbium cluster: synthesis and molecular structure, its reactivity to carbodiimides and application in the guanylation reaction","Dalton Trans.","2017","","","","","10.1039/C7DT00871F","","","1.54184","CuKα","","0.0424","0.0326","","","0.0795","0.0859","","","","","","1.014","","","","has coordinates,has disorder","195644","2020-10-21","18:00:00",""
"7042737","12.896","0.008","12.896","0.008","53.12","0.03","90","","90","","120","","7651","8","293","2","293","2","","","","","","","","6","R -3 :H","-R 3","148","","","","- C48 H45 Cl Cu3 O24 Zn -","- C48 H44.9998 Cl Cu3 O24 Zn -","- C288 H269.999 Cl6 Cu18 O144 Zn6 -","6","0.333333","","Song, You; Yang, Li; Li, Jing; Pu, Tian-Cheng; Kong, Ming","Metal-ion induced ferromagnetic polarization in mixed-spin system","Dalton Trans.","2017","","","","","10.1039/C7DT00753A","","","0.71073","MoKα","","0.0888","0.0521","","","0.1427","0.1636","","","","","","1.043","","","","has coordinates","195645","2020-10-21","18:00:00",""
"7042738","12.756","0.002","12.756","0.002","52.895","0.009","90","","90","","120","","7454","2","293","2","293","2","","","","","","","","6","R -3 :H","-R 3","148","","","","- C48 H45 Cl Co Cu3 O24 -","- C48 H44.9998 Cl Co Cu3 O24 -","- C288 H269.999 Cl6 Co6 Cu18 O144 -","6","0.333333","","Song, You; Yang, Li; Li, Jing; Pu, Tian-Cheng; Kong, Ming","Metal-ion induced ferromagnetic polarization in mixed-spin system","Dalton Trans.","2017","","","","","10.1039/C7DT00753A","","","0.71073","MoKα","","0.0664","0.045","","","0.1108","0.1239","","","","","","1.025","","","","has coordinates","195645","2020-10-21","18:00:00",""
"7042739","12.8633","0.0008","12.8633","0.0008","53.095","0.007","90","","90","","120","","7608.3","1.2","293","2","293","2","","","","","","","","6","R -3 :H","-R 3","148","","","","- C48 H45 Cl Cu3 Ni O24 -","- C48 H44.9998 Cl Cu3 Ni O24 -","- C288 H269.999 Cl6 Cu18 Ni6 O144 -","6","0.333333","","Song, You; Yang, Li; Li, Jing; Pu, Tian-Cheng; Kong, Ming","Metal-ion induced ferromagnetic polarization in mixed-spin system","Dalton Trans.","2017","","","","","10.1039/C7DT00753A","","","0.71073","MoKα","","0.0619","0.0391","","","0.1029","0.1167","","","","","","1.032","","","","has coordinates","195645","2020-10-21","18:00:00",""
"7042740","8.8925","0.0003","15.1543","0.0005","13.5209","0.0005","90","","101.15","0.0013","90","","1787.68","0.11","293","2","293","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C11 H18 Cl2 N4 O8 Pb -","- C11 H18 Cl2 N4 O8 Pb -","- C44 H72 Cl8 N16 O32 Pb4 -","4","1","","Liberato, Andrea; Aguinaco, Almudena; Clares, Maria Paz; Delgado-Pinar, Estefania; Blasco, Salvador; Pitarch-Jarque, Javier; Basallote, Manuel G.; García-España, Enrique; Verdejo, Begoña","Pb2+ Complexes of Small-Cavity Azamacrocyclic Ligands. Thermodynamic and Kinetic Studies","Dalton Trans.","2017","","","","","10.1039/C7DT00680B","","","0.71073","MoKα","","0.1083","0.046","","","0.1238","0.163","","","","","","0.891","","","","has coordinates","195646","2020-10-21","18:00:00",""
"7042741","13.1619","0.0004","13.0751","0.0004","33.1703","0.001","90","","90","","90","","5708.4","0.3","120","0.1","120","0.1","","","","","","","","6","P b c n","-P 2n 2ab","60","","","","- C54 H68 Cl3 N11 O7 Pb2 -","- C54 H68 Cl3 N11 O7 Pb2 -","- C216 H272 Cl12 N44 O28 Pb8 -","4","0.5","","Liberato, Andrea; Aguinaco, Almudena; Clares, Maria Paz; Delgado-Pinar, Estefania; Blasco, Salvador; Pitarch-Jarque, Javier; Basallote, Manuel G.; García-España, Enrique; Verdejo, Begoña","Pb2+ Complexes of Small-Cavity Azamacrocyclic Ligands. Thermodynamic and Kinetic Studies","Dalton Trans.","2017","","","","","10.1039/C7DT00680B","","x-ray","0.71073","MoKα","","0.0765","0.0651","","","0.1313","0.135","","","","","","1.368","","","","has coordinates,has disorder","195646","2020-10-21","18:00:00",""
"7042742","11.0995","0.0016","16.235","0.002","17.997","0.003","84.77","0.004","72.241","0.004","74.247","0.004","2972.4","0.8","100","2","100","2","","","","","","","","6","P -1","-P 1","2","","","","- C49 H90 Cl2 Cu2 N6 Si6 -","- C49 H90 Cl2 Cu2 N6 Si6 -","- C98 H180 Cl4 Cu4 N12 Si12 -","2","1","","Parvin, Nasrina; Dasgupta, Rajarshi; Pal, Shiv; Sen, Sakya Singha; Khan, Shabana","“Strikingly diverse reactivity of structurally identical silylene and stannylene""","Dalton Trans.","2017","","","","","10.1039/C7DT01055A","","","0.71073","MoKα","","0.1263","0.0543","","","0.0857","0.0996","","","","","","1.171","","","","has coordinates","195647","2020-10-21","18:00:00",""
"7042743","15.748","0.003","19.935","0.004","20.701","0.004","90","0.03","107.03","0.03","90","0.03","6214","2","150","2","150","2","","","","","","","","8","C 1 2/c 1","-C 2yc","15","","","","- C42 H79.5 Ag F6 N6 Sb Si4 Sn2 -","- C42 H79.624 Ag F6 N6 Sb Si4 Sn2 -","- C168 H318.496 Ag4 F24 N24 Sb4 Si16 Sn8 -","4","0.5","","Parvin, Nasrina; Dasgupta, Rajarshi; Pal, Shiv; Sen, Sakya Singha; Khan, Shabana","“Strikingly diverse reactivity of structurally identical silylene and stannylene""","Dalton Trans.","2017","","","","","10.1039/C7DT01055A","","","0.71073","MoKα","","0.104","0.0519","","","0.1157","0.1479","","","","","","1.021","","","","has coordinates,has disorder","195647","2020-10-21","18:00:00",""
"7042744","6.2709","0.0019","10.323","0.003","13.767","0.005","86.414","0.009","84.02","0.008","85.949","0.008","882.8","0.5","150","2","150","2","","","","","","","","5","P -1","-P 1","2","","","","- C15 H23 Br N2 Sn -","- C15 H23 Br N2 Sn -","- C30 H46 Br2 N4 Sn2 -","2","1","","Parvin, Nasrina; Dasgupta, Rajarshi; Pal, Shiv; Sen, Sakya Singha; Khan, Shabana","“Strikingly diverse reactivity of structurally identical silylene and stannylene""","Dalton Trans.","2017","","","","","10.1039/C7DT01055A","","","0.71073","MoKα","","0.0971","0.0571","","","0.1313","0.1514","","","","","","1.011","","","","has coordinates,has disorder","195647","2020-10-21","18:00:00",""
"7042745","11.0391","0.001","16.2036","0.0016","18.0379","0.0016","85.486","0.002","72.999","0.002","75.928","0.002","2992.8","0.5","100","2","100","2","","","","","","","","6","P -1","-P 1","2","","","","- C49 H89 Br2 Cu2 N6 Si6 -","- C49 H89 Br2 Cu2 N6 Si6 -","- C98 H178 Br4 Cu4 N12 Si12 -","2","1","","Parvin, Nasrina; Dasgupta, Rajarshi; Pal, Shiv; Sen, Sakya Singha; Khan, Shabana","“Strikingly diverse reactivity of structurally identical silylene and stannylene""","Dalton Trans.","2017","","","","","10.1039/C7DT01055A","","","0.71073","MoKα","","0.1368","0.065","","","0.131","0.1546","","","","","","1.061","","","","has coordinates","195647","2020-10-21","18:00:00",""
"7042746","14.897","0.006","28.235","0.012","14.912","0.007","90","","92.587","0.011","90","","6266","5","150","2","150","2","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C42 H82 Ag F6 N6 Sb Si6 -","- C42 H82 Ag F6 N6 Sb Si6 -","- C168 H328 Ag4 F24 N24 Sb4 Si24 -","4","1","","Parvin, Nasrina; Dasgupta, Rajarshi; Pal, Shiv; Sen, Sakya Singha; Khan, Shabana","“Strikingly diverse reactivity of structurally identical silylene and stannylene""","Dalton Trans.","2017","","","","","10.1039/C7DT01055A","","","0.71073","MoKα","","0.0643","0.0422","","","0.0835","0.09","","","","","","1.043","","","","has coordinates","195647","2020-10-21","18:00:00",""
"7042747","9.9418","0.0003","28.5201","0.0008","10.9256","0.0003","90","","102.641","0.002","90","","3022.77","0.15","240","2","240","2","","","","","","","","7","P 1 21 1","P 2yb","4","","","","- C59 H75 F N5 O0.5 S3 Zr -","- C59 H75 F N5 O0.5 S3 Zr -","- C118 H150 F2 N10 O S6 Zr2 -","2","1","","Otero, Antonio; fernandez, juan; garces, andres; SÁNCHEZ-BARBA MERLO, LUIS FERNANDO; lara, agustin; martinez-Ferrer, Jaime; Carrion, Maria Prado; Rodríguez, Ana María","Highly Thermally Stable and Robust Enantiopure NNN-Scorpionate Zirconium Initiators for the Controlled Ring-Opening Polymerization of rac-Lactide","Dalton Trans.","2017","","","","","10.1039/C7DT01050H","","","0.71073","MoKα","","0.1801","0.0835","","","0.1764","0.2288","","","","","","0.957","","","","has coordinates,has disorder","195648","2020-10-21","18:00:00",""
"7042748","10.0974","0.0002","10.1677","0.0003","13.9117","0.0003","102.789","0.002","95.8839","0.0019","113.851","0.002","1244.02","0.06","150","2","150","2","","","","","","","","7","P -1","-P 1","2","","","","- C44 H36 Cl6 N2 O4 P4 Pd6 -","- C44 H36 Cl6 N2 O4 P4 Pd6 -","- C44 H36 Cl6 N2 O4 P4 Pd6 -","1","0.5","","Kashid, Vitthal S.; Radhakrishna, Latchupatula; Balakrishna, Maravanji Shivaramaiah","First examples of tri- and tetraphosphametacyclophanes: synthesis and isolation of an unusual hexapalladium complex containing pincer units with Pd—P covalent bonds","Dalton Trans.","2017","","","","","10.1039/C7DT00737J","","","0.71073","MoKα","","0.0284","0.0252","","","0.0626","0.0646","","","","","","1.061","","","","has coordinates,has disorder","195681","2020-10-21","18:00:00",""
"7042749","12.92","0.0003","19.0391","0.0008","20.9881","0.0006","90","","97.725","0.002","90","","5115.9","0.3","150","2","150","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C56 H42 N4 O9 P4 -","- C56 H42 N4 O9 P4 -","- C224 H168 N16 O36 P16 -","4","1","","Kashid, Vitthal S.; Radhakrishna, Latchupatula; Balakrishna, Maravanji Shivaramaiah","First examples of tri- and tetraphosphametacyclophanes: synthesis and isolation of an unusual hexapalladium complex containing pincer units with Pd—P covalent bonds","Dalton Trans.","2017","","","","","10.1039/C7DT00737J","","","1.54184","CuKα","","0.1322","0.0819","","","0.2069","0.2652","","","","","","1.099","","","","has coordinates","195681","2020-10-21","18:00:00",""
"7042750","8.896","0.0005","13.1019","0.0006","16.2731","0.0007","93.834","0.004","96.273","0.004","106.767","0.005","1795.52","0.16","100","2","100","2","","","","","","","","6","P -1","-P 1","2","","","","- C40 H26 Cl2 N3 O6 P3 -","- C40 H26 Cl2 N3 O6 P3 -","- C80 H52 Cl4 N6 O12 P6 -","2","1","","Kashid, Vitthal S.; Radhakrishna, Latchupatula; Balakrishna, Maravanji Shivaramaiah","First examples of tri- and tetraphosphametacyclophanes: synthesis and isolation of an unusual hexapalladium complex containing pincer units with Pd—P covalent bonds","Dalton Trans.","2017","","","","","10.1039/C7DT00737J","","","0.71073","MoKα","","0.0576","0.048","","","0.1183","0.1273","","","","","","1.029","","","","has coordinates","195681","2020-10-21","18:00:00",""
"7042751","19.7716","0.0009","19.7716","0.0009","16.5975","0.0015","90","","90","","120","","5619","0.6","173","2","173","2","","","","","","","","7","P 63/m","-P 6c","176","","","","- C69 H96 Ge9 K4 N6 O39 W3 -","- C69 H96 Ge9 K4 N6 O39 W3 -","- C138 H192 Ge18 K8 N12 O78 W6 -","2","0.166667","","Wang, LuLu; Wang, Yi; li, zhenyu; Ruan, Huapeng; Xu, Li","[Ge9{M(CO)5}3]4-: Electrophilic Addition of M(CO)5 and [E9]4- Zintl anions (M = Cr, Mo, W) †","Dalton Trans.","2017","","","","","10.1039/C7DT01123G","","","0.71073","MoKα","","0.0681","0.0646","","","0.1277","0.1296","","","","","","1.184","","","","has coordinates","195682","2020-10-21","18:00:00",""
"7042752","14.3084","0.0005","14.3951","0.0005","16.1187","0.0006","66.9864","0.0007","77.5958","0.0007","63.1834","0.0006","2724.13","0.17","100","2","100","2","","","","","","","","7","P -1","-P 1","2","","","","- C55.5 H80 Al Ce N2 O5 Si -","- C55.5 H80 Al Ce N2 O5 Si -","- C111 H160 Al2 Ce2 N4 O10 Si2 -","2","1","","Huerta-Lavorie, Raúl; Báez-Rodríguez, Dana V.; García-Ríos, Jessica; Martínez-Vollbert, Emiliano; Martínez-Otero, Diego; Jancik, Vojtech","Molecular rare earth metal alumosilicates","Dalton Trans.","2017","","","","","10.1039/C7DT00874K","","","0.71073","MoKα","","0.0207","0.0196","","","0.0486","0.0491","","","","","","1.079","","","","has coordinates,has disorder","195683","2020-10-21","18:00:00",""
"7042753","11.1853","0.0003","13.1997","0.0004","17.264","0.0005","85.002","0.001","75.48","0.001","69.049","0.001","2304.35","0.12","100","2","100","2","","","","","","","","7","P -1","-P 1","2","","","","- C47 H70 Al Dy N2 O5 Si -","- C47.0037 H70.0084 Al Dy N2 O5 Si -","- C94.0074 H140.017 Al2 Dy2 N4 O10 Si2 -","2","1","","Huerta-Lavorie, Raúl; Báez-Rodríguez, Dana V.; García-Ríos, Jessica; Martínez-Vollbert, Emiliano; Martínez-Otero, Diego; Jancik, Vojtech","Molecular rare earth metal alumosilicates","Dalton Trans.","2017","","","","","10.1039/C7DT00874K","","","0.71073","MoKα","","0.0214","0.0192","","","0.0473","0.0482","","","","","","1.049","","","","has coordinates,has disorder","195683","2020-10-21","18:00:00",""
"7042754","11.1787","0.0005","13.1734","0.0006","17.2734","0.0007","84.884","0.001","75.472","0.001","69.106","0.001","2300.45","0.17","100","2","100","2","","","","","","","","7","P -1","-P 1","2","","","","- C47 H70 Al N2 O5 Si Y -","- C47.002 H70.0045 Al N2 O5 Si Y -","- C94.004 H140.009 Al2 N4 O10 Si2 Y2 -","2","1","","Huerta-Lavorie, Raúl; Báez-Rodríguez, Dana V.; García-Ríos, Jessica; Martínez-Vollbert, Emiliano; Martínez-Otero, Diego; Jancik, Vojtech","Molecular rare earth metal alumosilicates","Dalton Trans.","2017","","","","","10.1039/C7DT00874K","","","0.71073","MoKα","","0.0288","0.0252","","","0.0627","0.0644","","","","","","1.036","","","","has coordinates,has disorder","195683","2020-10-21","18:00:00",""
"7042755","12.4544","0.0002","28.3375","0.0004","28.8714","0.0004","90","","91.8631","0.0007","90","","10184.1","0.3","100","2","100","2","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C105 H152 Al2 N4 O10 Si2 Sm2 -","- C105 H152 Al2 N4 O10 Si2 Sm2 -","- C420 H608 Al8 N16 O40 Si8 Sm8 -","4","1","","Huerta-Lavorie, Raúl; Báez-Rodríguez, Dana V.; García-Ríos, Jessica; Martínez-Vollbert, Emiliano; Martínez-Otero, Diego; Jancik, Vojtech","Molecular rare earth metal alumosilicates","Dalton Trans.","2017","","","","","10.1039/C7DT00874K","","","1.54178","CuKα","","0.029","0.0283","","","0.0756","0.0761","","","","","","1.032","","","","has coordinates,has disorder","195683","2020-10-21","18:00:00",""
"7042756","11.1891","0.0004","13.2289","0.0004","17.2598","0.0006","85.021","0.001","75.513","0.001","68.978","0.001","2308.91","0.14","100","2","100","2","","","","","","","","7","P -1","-P 1","2","","","","- C47 H70 Al N2 O5 Si Tb -","- C46.9984 H69.9964 Al N2 O5 Si Tb -","- C93.9968 H139.993 Al2 N4 O10 Si2 Tb2 -","2","1","","Huerta-Lavorie, Raúl; Báez-Rodríguez, Dana V.; García-Ríos, Jessica; Martínez-Vollbert, Emiliano; Martínez-Otero, Diego; Jancik, Vojtech","Molecular rare earth metal alumosilicates","Dalton Trans.","2017","","","","","10.1039/C7DT00874K","","","0.71073","MoKα","","0.0174","0.0171","","","0.0454","0.0457","","","","","","1.081","","","","has coordinates,has disorder","195683","2020-10-21","18:00:00",""
"7042757","11.1795","0.0007","13.2474","0.0008","17.2798","0.001","85.013","0.001","75.502","0.001","68.976","0.001","2312.7","0.2","100","2","100","2","","","","","","","","7","P -1","-P 1","2","","","","- C47 H70 Al Gd N2 O5 Si -","- C47.0032 H70.0072 Al Gd N2 O5 Si -","- C94.0064 H140.014 Al2 Gd2 N4 O10 Si2 -","2","1","","Huerta-Lavorie, Raúl; Báez-Rodríguez, Dana V.; García-Ríos, Jessica; Martínez-Vollbert, Emiliano; Martínez-Otero, Diego; Jancik, Vojtech","Molecular rare earth metal alumosilicates","Dalton Trans.","2017","","","","","10.1039/C7DT00874K","","","0.71073","MoKα","","0.0264","0.0223","","","0.053","0.0551","","","","","","1.066","","","","has coordinates,has disorder","195683","2020-10-21","18:00:00",""
"7042758","14.3004","0.0006","14.3557","0.0006","16.0951","0.0006","67.054","0.001","77.662","0.001","63.143","0.001","2711.71","0.19","100","2","100","2","","","","","","","","7","P -1","-P 1","2","","","","- C55.5 H80 Al N2 Nd O5 Si -","- C55.5 H80 Al N2 Nd O5 Si -","- C111 H160 Al2 N4 Nd2 O10 Si2 -","2","1","","Huerta-Lavorie, Raúl; Báez-Rodríguez, Dana V.; García-Ríos, Jessica; Martínez-Vollbert, Emiliano; Martínez-Otero, Diego; Jancik, Vojtech","Molecular rare earth metal alumosilicates","Dalton Trans.","2017","","","","","10.1039/C7DT00874K","","","0.71073","MoKα","","0.0171","0.0164","","","0.0409","0.0414","","","","","","1.055","","","","has coordinates,has disorder","195683","2020-10-21","18:00:00",""
"7042759","11.1759","0.0004","13.1592","0.0004","17.2603","0.0006","84.9083","0.0007","75.4126","0.0007","69.1769","0.0006","2296.12","0.13","100","2","100","2","","","","","","","","7","P -1","-P 1","2","","","","- C47 H70 Al Er N2 O5 Si -","- C46.998 H69.9955 Al Er N2 O5 Si -","- C93.996 H139.991 Al2 Er2 N4 O10 Si2 -","2","1","","Huerta-Lavorie, Raúl; Báez-Rodríguez, Dana V.; García-Ríos, Jessica; Martínez-Vollbert, Emiliano; Martínez-Otero, Diego; Jancik, Vojtech","Molecular rare earth metal alumosilicates","Dalton Trans.","2017","","","","","10.1039/C7DT00874K","","","0.71073","MoKα","","0.0228","0.0199","","","0.0467","0.0481","","","","","","1.045","","","","has coordinates,has disorder","195683","2020-10-21","18:00:00",""
"7042760","16.2943","0.0003","16.7239","0.0003","10.502","0.0001","90","","90","","90","","2861.84","0.08","173","","173","","","","","","","","","6","P n n a","-P 2a 2bc","52","","","","- C26 H28 B2 Cu F8 N4 -","- C26 H28 B2 Cu F8 N4 -","- C104 H112 B8 Cu4 F32 N16 -","4","0.5","","Kondo, Atsushi; Suzuki, Takayuki; Kotani, Ryosuke; Maeda, Kazuyuki","Liquid/Vapor-Induced Reversible Dynamic Structural Transformation of a Three-Dimensional Cu-based MOF to a One-Dimensional MOF Showing Gate Adsorption","Dalton Trans.","2017","","","","","10.1039/C7DT01126A","","","1.54187","CuKα","","0.0501","0.0441","","","0.1206","0.1262","","","","","","1.052","","","","has coordinates","195737","2020-10-21","18:00:00",""
"7042761","11.4374","0.0008","13.166","0.0009","16.8565","0.0012","90","","98.647","0.003","90","","2509.5","0.3","123","","123","","","","","","","","Fabian Brunner","7","P 1 n 1","P -2yac","7","","","","- C59 H46 Cu F6 N2 O P3 -","- C59 H46 Cu F6 N2 O P3 -","- C118 H92 Cu2 F12 N4 O2 P6 -","2","1","","Housecroft, Catherine E.; Constable, Edwin C.; Brunner, Fabian; Häussinger, Daniel; Graber, Stefan; Prescimone, Alessandro; Baumgartner, Yann","The effects of introducing sterically demanding aryl substituents in [Cu(N^N)(P^P)]+ complexes","Dalton Trans.","2017","","","","","10.1039/C7DT00782E","","","1.54178","CuKα","","0.0476","0.0472","","0.1121","0.112","0.1121","","","","","","0.7142","","","","has coordinates","195738","2020-10-21","18:00:00",""
"7042762","22.6154","0.0014","20.0116","0.0012","21.8373","0.0014","90","","90","","90","","9882.9","1.1","123","","123","","","","","","","","Fabian Brunner","7","P c c n","-P 2ab 2ac","56","","","","- C57 H44 Cu F6 N2 O1.25 P3 -","- C57 H44 Cu F6 N2 O1.25 P3 -","- C456 H352 Cu8 F48 N16 O10 P24 -","8","1","","Housecroft, Catherine E.; Constable, Edwin C.; Brunner, Fabian; Häussinger, Daniel; Graber, Stefan; Prescimone, Alessandro; Baumgartner, Yann","The effects of introducing sterically demanding aryl substituents in [Cu(N^N)(P^P)]+ complexes","Dalton Trans.","2017","","","","","10.1039/C7DT00782E","","","1.54178","CuKα","","0.0713","0.0605","","0.153","0.1485","0.1528","","","","","","1.0589","","","","has coordinates","195738","2020-10-21","18:00:00",""
"7042763","22.2781","0.0011","14.7143","0.0008","15.4481","0.0007","90","","99.249","0.003","90","","4998.2","0.4","123","","123","","","","","","","","Fabian Brunner","7","P 1 21/c 1","-P 2ybc","14","","","","- C59 H48 Cu F6 N2 O2 P3 -","- C59 H48 Cu F6 N2 O2 P3 -","- C236 H192 Cu4 F24 N8 O8 P12 -","4","1","","Housecroft, Catherine E.; Constable, Edwin C.; Brunner, Fabian; Häussinger, Daniel; Graber, Stefan; Prescimone, Alessandro; Baumgartner, Yann","The effects of introducing sterically demanding aryl substituents in [Cu(N^N)(P^P)]+ complexes","Dalton Trans.","2017","","","","","10.1039/C7DT00782E","","","1.54178","CuKα","","0.0572","0.0432","","0.1067","0.0866","0.1067","","","","","","0.8433","","","","has coordinates","195738","2020-10-21","18:00:00",""
"7042764","23.5648","0.0017","43.959","0.003","12.3463","0.0009","90","","94.788","0.003","90","","12744.7","1.6","123","","123","","","","","","","","Fabian Brunner","8","C 1 2/m 1","-C 2y","12","","","","- C65 H51 Cl2 Cu F6 N2 O1.5 P3 -","- C65 H51 Cl2 Cu F6 N2 O1.5 P3 -","- C520 H408 Cl16 Cu8 F48 N16 O12 P24 -","8","1","","Housecroft, Catherine E.; Constable, Edwin C.; Brunner, Fabian; Häussinger, Daniel; Graber, Stefan; Prescimone, Alessandro; Baumgartner, Yann","The effects of introducing sterically demanding aryl substituents in [Cu(N^N)(P^P)]+ complexes","Dalton Trans.","2017","","","","","10.1039/C7DT00782E","","","1.5418","CuKα","","0.0622","0.0603","","0.1531","0.1527","0.153","","","","","","1.0572","","","","has coordinates,has disorder","195738","2020-10-21","18:00:00",""
"7042765","13.003","0.0009","14.4788","0.001","16.9143","0.0011","72.11","0.003","84.932","0.004","75.976","0.004","2939.8","0.4","123","","123","","","","","","","","Fabian Brunner","7","P -1","-P 1","2","","","","- C67 H53 Cu F6 N2 O1.5 P3 -","- C67 H53 Cu F6 N2 O1.5 P3 -","- C134 H106 Cu2 F12 N4 O3 P6 -","2","1","","Housecroft, Catherine E.; Constable, Edwin C.; Brunner, Fabian; Häussinger, Daniel; Graber, Stefan; Prescimone, Alessandro; Baumgartner, Yann","The effects of introducing sterically demanding aryl substituents in [Cu(N^N)(P^P)]+ complexes","Dalton Trans.","2017","","","","","10.1039/C7DT00782E","","","1.54178","CuKα","","0.0761","0.0698","","0.1737","0.1719","0.1737","","","","","","1.0983","","","","has coordinates","195738","2020-10-21","18:00:00",""
"7042766","13.305","0.004","14.001","0.007","17.266","0.01","84.02","0.03","76.24","0.03","80.48","0.03","3074","3","200","2","200","2","","","","","","","synthesis as described","8","P -1","-P 1","2","","","","- C61 H68 Cl2 N4 O11 P2 Pd S2 -","- C61 H68 Cl2 N4 O11 P2 Pd S2 -","- C122 H136 Cl4 N8 O22 P4 Pd2 S4 -","2","1","","Asensio Revert, Juan Manuel Manuel; Gomez-Sal, Pilar; Andrés, Román; de Jesús, Ernesto","Synthesis of water-soluble palladium(II) complexes with N-heterocyclic carbene chelate ligands and their use in the aerobic oxidation of 1-phenylethanol","Dalton Trans.","2017","","","","","10.1039/C7DT00643H","","x-ray","0.71073","MoKα","","0.0968","0.0467","","","0.1052","0.1213","","","","","","0.971","","","","has coordinates","195739","2020-10-21","18:00:00",""
"7042767","14.0002","0.0013","14.4399","0.0011","16.3759","0.0015","96.682","0.007","100.591","0.007","99.196","0.008","3175.9","0.5","200","2","200","2","","","","","","","synthesis as described","8","P -1","-P 1","2","","","","- C78 H133 Cl1.5 Cs6.5 N24 O47 Pd3 S12 -","- C78 H108 Cl1.5 Cs6.5 N24 O47 Pd3 S12 -","- C78 H108 Cl1.5 Cs6.5 N24 O47 Pd3 S12 -","1","0.5","","Asensio Revert, Juan Manuel Manuel; Gomez-Sal, Pilar; Andrés, Román; de Jesús, Ernesto","Synthesis of water-soluble palladium(II) complexes with N-heterocyclic carbene chelate ligands and their use in the aerobic oxidation of 1-phenylethanol","Dalton Trans.","2017","","","","","10.1039/C7DT00643H","","x-ray","0.71073","MoKα","","0.1232","0.0607","","","0.1461","0.1734","","","","","","0.962","","","","has coordinates","195739","2020-10-21","18:00:00",""
"7042768","19.9854","0.0008","15.9047","0.0007","27.4868","0.0011","90","","128.541","0.002","90","","6833.8","0.5","173","2","173","","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C109 H153 Fe2 N25 Ni4 O34 Y2 -","- C109 H143 Fe2 N25 Ni4 O34 Y2 -","- C218 H286 Fe4 N50 Ni8 O68 Y4 -","2","0.5","","Liu, Mei-Jiao; Hu, kong-Qiu; Liu, Cai-Ming; Cui, Ai-Li; Kou, Hui-Zhong","Metallocyclic Ni4Ln2M2 single-molecule magnets","Dalton Trans.","2017","","","","","10.1039/C7DT00948H","","","0.71073","MoKα","","0.1129","0.0543","","","0.126","0.1499","","","","","","1.021","","","","has coordinates","195740","2020-10-21","18:00:00",""
"7042769","16.6402","0.0003","22.7099","0.0003","19.1594","0.0003","90","","105.639","0.0016","90","","6972.2","0.2","173","0.1","173","0.1","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C112 H150 Cr2 N26 Ni4 O30 Y2 -","- C112 H146 Cr2 N26 Ni4 O30 Y2 -","- C224 H292 Cr4 N52 Ni8 O60 Y4 -","2","0.5","","Liu, Mei-Jiao; Hu, kong-Qiu; Liu, Cai-Ming; Cui, Ai-Li; Kou, Hui-Zhong","Metallocyclic Ni4Ln2M2 single-molecule magnets","Dalton Trans.","2017","","","","","10.1039/C7DT00948H","","x-ray","1.54184","CuKα","","0.0703","0.0587","","","0.1761","0.1843","","","","","","1.06","","","","has coordinates,has disorder","195740","2020-10-21","18:00:00",""
"7042770","18.01","0.006","19.152","0.006","24.543","0.008","89.739","0.005","70.349","0.005","80.625","0.005","7855","4","296","2","296","2","","","","","","","","7","P -1","-P 1","2","","","","- C129 H184 Cr2 Dy2 N24 Ni4 O43 -","- C129 H126 Cr2 Dy2 N24 Ni4 O43 -","- C258 H252 Cr4 Dy4 N48 Ni8 O86 -","2","1","","Liu, Mei-Jiao; Hu, kong-Qiu; Liu, Cai-Ming; Cui, Ai-Li; Kou, Hui-Zhong","Metallocyclic Ni4Ln2M2 single-molecule magnets","Dalton Trans.","2017","","","","","10.1039/C7DT00948H","","","0.71073","MoKα","","0.144","0.0699","","","0.1612","0.1881","","","","","","0.933","","","","has coordinates","195740","2020-10-21","18:00:00",""
"7042771","16.883","0.003","22.825","0.005","18.842","0.004","90","","104.17","0.03","90","","7040","3","153","2","153.15","","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C114 H148 Co2 Dy2 N28 Ni4 O28 -","- C114 H116 Co2 Dy2 N28 Ni4 O28 -","- C228 H232 Co4 Dy4 N56 Ni8 O56 -","2","0.5","","Liu, Mei-Jiao; Hu, kong-Qiu; Liu, Cai-Ming; Cui, Ai-Li; Kou, Hui-Zhong","Metallocyclic Ni4Ln2M2 single-molecule magnets","Dalton Trans.","2017","","","","","10.1039/C7DT00948H","","","0.71073","MoKα","","0.0841","0.0726","","","0.1833","0.1952","","","","","","1.104","","","","has coordinates","195740","2020-10-21","18:00:00",""
"7042772","20.0731","0.0002","15.9253","0.0002","27.5474","0.0003","90","","128.606","0.001","90","","6881.56","0.16","173","2","173.15","","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C112 H162 Fe2 Gd2 N26 Ni4 O36 -","- C112 H154 Fe2 Gd2 N26 Ni4 O36 -","- C224 H308 Fe4 Gd4 N52 Ni8 O72 -","2","0.5","","Liu, Mei-Jiao; Hu, kong-Qiu; Liu, Cai-Ming; Cui, Ai-Li; Kou, Hui-Zhong","Metallocyclic Ni4Ln2M2 single-molecule magnets","Dalton Trans.","2017","","","","","10.1039/C7DT00948H","","","1.54184","CuKα","","0.0682","0.0654","","","0.1686","0.1701","","","","","","1.203","","","","has coordinates","195740","2020-10-21","18:00:00",""
"7042773","16.818","0.003","22.639","0.003","19.369","0.003","90","","105.455","0.002","90","","7107.9","1.9","153","2","153","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C102 H142 Cr2 Dy2 N22 Ni4 O34 -","- C102 H96 Cr2 Dy2 N22 Ni4 O34 -","- C204 H192 Cr4 Dy4 N44 Ni8 O68 -","2","0.5","","Liu, Mei-Jiao; Hu, kong-Qiu; Liu, Cai-Ming; Cui, Ai-Li; Kou, Hui-Zhong","Metallocyclic Ni4Ln2M2 single-molecule magnets","Dalton Trans.","2017","","","","","10.1039/C7DT00948H","","","0.71073","MoKα","","0.0861","0.0765","","","0.1943","0.2028","","","","","","1.123","","","","has coordinates","195740","2020-10-21","18:00:00",""
"7042774","16.93","0.003","22.828","0.005","19.005","0.004","90","","104.51","0.03","90","","7111","3","163","2","163.15","","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C107.38 H148.69 Fe2 N24.69 Ni4 O33.31 Tb2 -","- C107.38 H122.07 Fe2 N24.69 Ni4 O33.31 Tb2 -","- C214.76 H244.14 Fe4 N49.38 Ni8 O66.62 Tb4 -","2","0.5","","Liu, Mei-Jiao; Hu, kong-Qiu; Liu, Cai-Ming; Cui, Ai-Li; Kou, Hui-Zhong","Metallocyclic Ni4Ln2M2 single-molecule magnets","Dalton Trans.","2017","","","","","10.1039/C7DT00948H","","","0.71073","MoKα","","0.0826","0.0795","","","0.2014","0.204","","","","","","1.204","","","","has coordinates,has disorder","195740","2020-10-21","18:00:00",""
"7042775","16.7191","0.0008","22.611","0.0009","19.4149","0.0008","90","","105.935","0.001","90","","7057.5","0.5","173","2","173.1","","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C109 H153 Cr2 Gd2 N25 Ni4 O34 -","- C109 H127 Cr2 Gd2 N25 Ni4 O34 -","- C218 H254 Cr4 Gd4 N50 Ni8 O68 -","2","0.5","","Liu, Mei-Jiao; Hu, kong-Qiu; Liu, Cai-Ming; Cui, Ai-Li; Kou, Hui-Zhong","Metallocyclic Ni4Ln2M2 single-molecule magnets","Dalton Trans.","2017","","","","","10.1039/C7DT00948H","","","0.71073","MoKα","","0.1253","0.0623","","","0.1472","0.1872","","","","","","1.02","","","","has coordinates","195740","2020-10-21","18:00:00",""
"7042776","16.838","0.003","22.752","0.005","19.315","0.004","90","","105.32","0.03","90","","7137","3","163","2","163.15","","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C105 H145 Cr2 N23 Ni4 O33 Tb2 -","- C105 H107 Cr2 N23 Ni4 O33 Tb2 -","- C210 H214 Cr4 N46 Ni8 O66 Tb4 -","2","0.5","","Liu, Mei-Jiao; Hu, kong-Qiu; Liu, Cai-Ming; Cui, Ai-Li; Kou, Hui-Zhong","Metallocyclic Ni4Ln2M2 single-molecule magnets","Dalton Trans.","2017","","","","","10.1039/C7DT00948H","","","0.71073","MoKα","","0.1029","0.0955","","","0.2129","0.218","","","","","","1.17","","","","has coordinates","195740","2020-10-21","18:00:00",""
"7042777","13.6147","0.001","17.8396","0.0013","20.182","0.0014","90","","94.425","0.002","90","","4887.2","0.6","296","2","296.15","","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C75 H52 Cu7 N21 O28 P8 Si2 -","- C75.12 H50 Cu7 N20.88 O28 P8 Si2 -","- C150.24 H100 Cu14 N41.76 O56 P16 Si4 -","2","0.5","","Ai, Jing; Min, Xue; Gao, Chaoying; Tian, Hong-Rui; Dang, Song; Sun, Zhong-Ming","A copper-phosphonate network as high-performance heterogeneous catalyst for the CO2 cycloaddition reactions and alcoholysis of epoxide","Dalton Trans.","2017","","","","","10.1039/C7DT00739F","","","0.71073","MoKα","","0.0792","0.0524","","","0.1231","0.1358","","","","","","1.027","","","","has coordinates","195741","2020-10-21","18:00:00",""
"7042778","10.9373","0.0005","11.4001","0.0005","12.5228","0.0006","81.58","0.002","84.062","0.002","80.956","0.002","1520.21","0.12","90","","90","","","","","","","","","6","P -1","-P 1","2","","","","- C24 H54 Co N3 P Si2 -","- C24 H54 Co N3 P Si2 -","- C48 H108 Co2 N6 P2 Si4 -","2","1","","Suzuki, Tatsuya; Masuda, Hideki; Fryzuk, Michael D.","Variable Coordination Geometries via an Amine-Tethered-Enamidophosphinimine Ligand on Cobalt","Dalton Trans.","2017","","","","","10.1039/C7DT00930E","","","0.71073","MoKα","","0.0537","0.0367","","","0.08","0.0881","","","","","","1.0251","","","","has coordinates","195742","2020-10-21","18:00:00",""
"7042779","9.9978","0.0005","20.9247","0.0011","16.7898","0.0009","90","","93.751","0.002","90","","3504.9","0.3","90","","90","","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C33 H62 Co N3 P Si -","- C33 H62 Co N3 P Si -","- C132 H248 Co4 N12 P4 Si4 -","4","1","","Suzuki, Tatsuya; Masuda, Hideki; Fryzuk, Michael D.","Variable Coordination Geometries via an Amine-Tethered-Enamidophosphinimine Ligand on Cobalt","Dalton Trans.","2017","","","","","10.1039/C7DT00930E","","","0.71073","MoKα","","0.0587","0.0471","","","0.1205","0.1284","","","","","","1.067","","","","has coordinates","195742","2020-10-21","18:00:00",""
"7042780","15.0712","0.0004","9.457","0.0003","19.8154","0.0005","90","","95.723","0.001","90","","2810.18","0.14","90","","90","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C29 H51 Co N3 P -","- C29 H51 Co N3 P -","- C116 H204 Co4 N12 P4 -","4","1","","Suzuki, Tatsuya; Masuda, Hideki; Fryzuk, Michael D.","Variable Coordination Geometries via an Amine-Tethered-Enamidophosphinimine Ligand on Cobalt","Dalton Trans.","2017","","","","","10.1039/C7DT00930E","","","0.71073","MoKα","","0.0449","0.0349","","","0.0799","0.0843","","","","","","1.051","","","","has coordinates","195742","2020-10-21","18:00:00",""
"7042781","11.233","0.001","17.5636","0.0015","14.7023","0.0013","90","","93.445","0.002","90","","2895.4","0.4","90","","90","","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C29 H52 N3 P -","- C29 H52 N3 P -","- C116 H208 N12 P4 -","4","1","","Suzuki, Tatsuya; Masuda, Hideki; Fryzuk, Michael D.","Variable Coordination Geometries via an Amine-Tethered-Enamidophosphinimine Ligand on Cobalt","Dalton Trans.","2017","","","","","10.1039/C7DT00930E","","","0.71073","MoKα","","0.0575","0.0405","","","0.0959","0.1044","","","","","","1.03","","","","has coordinates","195742","2020-10-21","18:00:00",""
"7042782","13.8468","0.0009","13.3188","0.0009","15.9724","0.0011","90","","95.626","0.004","90","","2931.5","0.3","90","","90","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C29 H51 Li N3 P -","- C29 H51 Li N3 P -","- C116 H204 Li4 N12 P4 -","4","1","","Suzuki, Tatsuya; Masuda, Hideki; Fryzuk, Michael D.","Variable Coordination Geometries via an Amine-Tethered-Enamidophosphinimine Ligand on Cobalt","Dalton Trans.","2017","","","","","10.1039/C7DT00930E","","","0.71073","MoKα","","0.0791","0.0568","","","0.1541","0.1747","","","","","","1.027","","","","has coordinates,has disorder","195742","2020-10-21","18:00:00",""
"7042783","8.9369","0.0005","10.3626","0.0006","13.9495","0.0007","98.205","0.002","95.099","0.002","110.645","0.002","1182.93","0.11","90","","90","","","","","","","","","6","P -1","-P 1","2","","","","- C20 H43 Li N3 P Si -","- C20 H43 Li N3 P Si -","- C40 H86 Li2 N6 P2 Si2 -","2","1","","Suzuki, Tatsuya; Masuda, Hideki; Fryzuk, Michael D.","Variable Coordination Geometries via an Amine-Tethered-Enamidophosphinimine Ligand on Cobalt","Dalton Trans.","2017","","","","","10.1039/C7DT00930E","","","0.71073","MoKα","","0.0329","0.0295","","","0.0761","0.0785","","","","","","1.0357","","","","has coordinates","195742","2020-10-21","18:00:00",""
"7042784","27.716","0.007","10.304","0.003","25.239","0.009","90","","122.438","0.005","90","","6083","3","90","","90","","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C58 H104 Co2 N6 P2 -","- C58 H104 Co2 N6 P2 -","- C232 H416 Co8 N24 P8 -","4","0.5","","Suzuki, Tatsuya; Masuda, Hideki; Fryzuk, Michael D.","Variable Coordination Geometries via an Amine-Tethered-Enamidophosphinimine Ligand on Cobalt","Dalton Trans.","2017","","","","","10.1039/C7DT00930E","","","0.71073","MoKα","","0.0348","0.0284","","","0.0701","0.0745","","","","","","1.0502","","","","has coordinates","195742","2020-10-21","18:00:00",""
"7042785","12.7531","0.0015","15.1301","0.0018","18.634","0.002","105.75","0.006","107.78","0.006","90.106","0.006","3281.1","0.7","90","","90","","","","","","","","","7","P -1","-P 1","2","","","","- C31 H55 Cl Co N3 O0.5 P -","- C31 H55 Cl Co N3 O0.5 P -","- C124 H220 Cl4 Co4 N12 O2 P4 -","4","2","","Suzuki, Tatsuya; Masuda, Hideki; Fryzuk, Michael D.","Variable Coordination Geometries via an Amine-Tethered-Enamidophosphinimine Ligand on Cobalt","Dalton Trans.","2017","","","","","10.1039/C7DT00930E","","","0.71073","MoKα","","0.109","0.0885","","","0.2282","0.2449","","","","","","1.046","","","","has coordinates","202518","2020-10-21","18:00:00",""
"7042786","12.8978","0.0012","10.1985","0.001","18.5025","0.0018","90","","107.622","0.003","90","","2319.6","0.4","296","2","296.15","","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C20 H42 Co N3 P Si -","- C20 H42 Co N3 P Si -","- C80 H168 Co4 N12 P4 Si4 -","4","1","","Suzuki, Tatsuya; Masuda, Hideki; Fryzuk, Michael D.","Variable Coordination Geometries via an Amine-Tethered-Enamidophosphinimine Ligand on Cobalt","Dalton Trans.","2017","","","","","10.1039/C7DT00930E","","","0.71073","MoKα","","0.0617","0.0357","","","0.0776","0.0871","","","","","","1.018","","","","has coordinates","195742","2020-10-21","18:00:00",""
"7042787","18.6761","0.0009","10.0679","0.0004","25.3409","0.0012","90","","96.524","0.001","90","","4734","0.4","90","","90","","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C40 H86 Co N6 P2 Si2 -","- C40 H86 Co N6 P2 Si2 -","- C160 H344 Co4 N24 P8 Si8 -","4","1","","Suzuki, Tatsuya; Masuda, Hideki; Fryzuk, Michael D.","Variable Coordination Geometries via an Amine-Tethered-Enamidophosphinimine Ligand on Cobalt","Dalton Trans.","2017","","","","","10.1039/C7DT00930E","","","0.71073","MoKα","","0.0858","0.0446","","","0.0965","0.1133","","","","","","1.031","","","","has coordinates,has disorder","195742","2020-10-21","18:00:00",""
"7042788","7.947","0.003","7.954","0.003","9.044","0.003","104.08","0.03","90.23","0.03","91.08","0.03","554.4","0.4","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","","","- C7 H14 N2 O7 P2 -","- C7 H14 N2 O7 P2 -","- C14 H28 N4 O14 P4 -","2","1","","Rojek, Tomasz; Goldeman, Waldemar; Ślepokura, Katarzyna; Duczmal, Marek; Wojciechowska, Agnieszka; Matczak-Jon, Ewa","Two isomorphous Co(II) coordination polymers based on new α,α-disubstituted derivatives of zoledronic acid: synthesis, structures and properties","Dalton Trans.","2017","","","","","10.1039/C7DT00410A","","","0.71073","MoKα","","0.0387","0.0369","","","0.1093","0.1109","","","","","","1.076","","","","has coordinates","195743","2020-10-21","18:00:00",""
"7042789","9.609","0.003","9.85","0.003","10.253","0.003","82.94","0.03","74.54","0.03","64.73","0.03","845.8","0.5","80","2","80","2","","","","","","","","6","P -1","-P 1","2","","","","- C14 H46 Co3 N4 O26 P4 -","- C14 H46 Co3 N4 O26 P4 -","- C14 H46 Co3 N4 O26 P4 -","1","0.5","","Rojek, Tomasz; Goldeman, Waldemar; Ślepokura, Katarzyna; Duczmal, Marek; Wojciechowska, Agnieszka; Matczak-Jon, Ewa","Two isomorphous Co(II) coordination polymers based on new α,α-disubstituted derivatives of zoledronic acid: synthesis, structures and properties","Dalton Trans.","2017","","","","","10.1039/C7DT00410A","","","0.71073","MoKα","","0.0622","0.0481","","","0.1066","0.1164","","","","","","1.059","","","","has coordinates,has disorder","195743","2020-10-21","18:00:00",""
"7042790","10.177","0.003","9.884","0.003","10.001","0.003","80.66","0.03","71.08","0.03","63.18","0.03","849.1","0.5","130","2","130","2","","","","","","","","6","P -1","-P 1","2","","","","- C14 H42 Co3 N4 O26 P4 -","- C14 H42 Co3 N4 O26 P4 -","- C14 H42 Co3 N4 O26 P4 -","1","0.5","","Rojek, Tomasz; Goldeman, Waldemar; Ślepokura, Katarzyna; Duczmal, Marek; Wojciechowska, Agnieszka; Matczak-Jon, Ewa","Two isomorphous Co(II) coordination polymers based on new α,α-disubstituted derivatives of zoledronic acid: synthesis, structures and properties","Dalton Trans.","2017","","","","","10.1039/C7DT00410A","","","0.71073","MoKα","","0.0735","0.046","","","0.0785","0.0879","","","","","","1.022","","","","has coordinates","195743","2020-10-21","18:00:00",""
"7042791","7.836","0.003","8.142","0.003","10.067","0.003","68.41","0.03","84.66","0.03","79.5","0.03","587","0.4","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","","","- C7 H14 N2 O8 P2 -","- C7 H14 N2 O8 P2 -","- C14 H28 N4 O16 P4 -","2","1","","Rojek, Tomasz; Goldeman, Waldemar; Ślepokura, Katarzyna; Duczmal, Marek; Wojciechowska, Agnieszka; Matczak-Jon, Ewa","Two isomorphous Co(II) coordination polymers based on new α,α-disubstituted derivatives of zoledronic acid: synthesis, structures and properties","Dalton Trans.","2017","","","","","10.1039/C7DT00410A","","","0.71073","MoKα","","0.045","0.0417","","","0.1242","0.1267","","","","","","1.083","","","","has coordinates,has disorder","195743","2020-10-21","18:00:00",""
"7042792","17.423","0.002","12.2473","0.0008","5.3445","0.0005","90","","106.281","0.006","90","","1094.7","0.18","293","2","293","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- Ba Eu K Mo3 O12 -","- Ba0.988 Eu K1.012 Mo3 O12 -","- Ba3.952 Eu4 K4.048 Mo12 O48 -","4","0.5","","Wang, Guoqiang; Gong, Xinghong; Chen, Yujin; Huang, Jianhua; Lin, Yanfu; Luo, Zundu; Huang, Yidong","Novel red phosphors KBaEu(XO4)3 (X=Mo, W) show high color purity and high thermostability from a disorder chained structure","Dalton Trans.","2017","","","","","10.1039/C7DT01044C","","","0.71073","MoKα","","0.0272","0.0264","","","0.0668","0.0674","","","","","","1.091","","","","has coordinates","195768","2020-10-21","18:00:00",""
"7042793","17.536","0.003","12.1979","0.0016","5.3452","0.0009","90","","105.801","0.008","90","","1100.1","0.3","293","2","293","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- Ba1.12 Eu K0.88 O12 W3 -","- Ba1.12 Eu K0.88 O12 W3 -","- Ba4.48 Eu4 K3.52 O48 W12 -","4","0.5","","Wang, Guoqiang; Gong, Xinghong; Chen, Yujin; Huang, Jianhua; Lin, Yanfu; Luo, Zundu; Huang, Yidong","Novel red phosphors KBaEu(XO4)3 (X=Mo, W) show high color purity and high thermostability from a disorder chained structure","Dalton Trans.","2017","","","","","10.1039/C7DT01044C","","","0.71073","MoKα","","0.0397","0.0367","","","0.082","0.0849","","","","","","1.134","","","","has coordinates","195769","2020-10-21","18:00:00",""
"7042794","5.9967","0.0014","26.083","0.007","11.9","0.004","90","","101.87","0.02","90","","1821.5","0.9","200","2","200","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C22 H20 Fe P2 -","- C22 H20 Fe P2 -","- C88 H80 Fe4 P8 -","4","1","","Hitzel, Sandra; Färber, Christian; Bruhn, Clemens; Siemeling, Ulrich","Phosphido complexes derived from 1,1’-ferrocenediyl-bridged secondary diphosphines","Dalton Trans.","2017","","","","","10.1039/C7DT00941K","","","0.71073","MoKα","","0.0537","0.0379","","","0.0929","0.1006","","","","","","1.025","","","","has coordinates","195771","2020-10-21","18:00:00",""
"7042795","8.936","0.0007","8.1613","0.0005","18.0145","0.0016","90","","94.549","0.007","90","","1309.65","0.18","173","2","173","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C26 H16 F12 Fe P2 -","- C26 H16 F12 Fe P2 -","- C52 H32 F24 Fe2 P4 -","2","0.5","","Hitzel, Sandra; Färber, Christian; Bruhn, Clemens; Siemeling, Ulrich","Phosphido complexes derived from 1,1’-ferrocenediyl-bridged secondary diphosphines","Dalton Trans.","2017","","","","","10.1039/C7DT00941K","","","0.71073","MoKα","","0.0537","0.0364","","","0.0887","0.0953","","","","","","1.029","","","","has coordinates,has disorder","195771","2020-10-21","18:00:00",""
"7042796","21.7734","0.0005","13.2129","0.0004","24.984","0.0007","90","","90","","90","","7187.6","0.3","173","2","173","2","","","","","","","","6","P c a 21","P 2c -2ac","29","","","","- C30 H58 Fe Li2 N4 P2 -","- C30 H58 Fe Li2 N4 P2 -","- C240 H464 Fe8 Li16 N32 P16 -","8","2","","Hitzel, Sandra; Färber, Christian; Bruhn, Clemens; Siemeling, Ulrich","Phosphido complexes derived from 1,1’-ferrocenediyl-bridged secondary diphosphines","Dalton Trans.","2017","","","","","10.1039/C7DT00941K","","","0.71073","MoKα","","0.0644","0.0468","","","0.135","0.1548","","","","","","0.841","","","","has coordinates,has disorder","195771","2020-10-21","18:00:00",""
"7042797","10.8879","0.0008","12.9242","0.0008","14.9695","0.001","101.557","0.005","91.535","0.006","111.792","0.005","1904.4","0.2","173","2","173","2","","","","","","","","6","P -1","-P 1","2","","","","- C34 H50 Fe Li2 N4 P2 -","- C34 H50 Fe Li2 N4 P2 -","- C68 H100 Fe2 Li4 N8 P4 -","2","1","","Hitzel, Sandra; Färber, Christian; Bruhn, Clemens; Siemeling, Ulrich","Phosphido complexes derived from 1,1’-ferrocenediyl-bridged secondary diphosphines","Dalton Trans.","2017","","","","","10.1039/C7DT00941K","","","0.71073","MoKα","","0.0776","0.0635","","","0.1713","0.187","","","","","","1.095","","","","has coordinates","195771","2020-10-21","18:00:00",""
"7042798","10.126","0.003","11.395","0.003","12.124","0.003","103.436","0.019","106.865","0.019","115.18","0.018","1104.6","0.6","173","2","173","2","","","","","","","","5","P -1","-P 1","2","","","","- C54 H46 Fe2 Ni3 P4 -","- C54 H46 Fe2 Ni3 P4 -","- C54 H46 Fe2 Ni3 P4 -","1","0.5","","Hitzel, Sandra; Färber, Christian; Bruhn, Clemens; Siemeling, Ulrich","Phosphido complexes derived from 1,1’-ferrocenediyl-bridged secondary diphosphines","Dalton Trans.","2017","","","","","10.1039/C7DT00941K","","","0.71073","MoKα","","0.1853","0.1439","","","0.3669","0.4285","","","","","","1.398","","","","has coordinates","195771","2020-10-21","18:00:00",""
"7042799","14.0188","0.0008","10.6198","0.0005","20.1658","0.0012","90","","96.178","0.005","90","","2984.8","0.3","173","2","173","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C64 H86 Fe2 Ni4 O2 P4 -","- C64 H86 Fe2 Ni4 O2 P4 -","- C128 H172 Fe4 Ni8 O4 P8 -","2","0.5","","Hitzel, Sandra; Färber, Christian; Bruhn, Clemens; Siemeling, Ulrich","Phosphido complexes derived from 1,1’-ferrocenediyl-bridged secondary diphosphines","Dalton Trans.","2017","","","","","10.1039/C7DT00941K","","","0.71073","MoKα","","0.1654","0.0812","","","0.1681","0.212","","","","","","1.068","","","","has coordinates","195771","2020-10-21","18:00:00",""
"7042800","41.181","0.003","12.8318","0.0013","18.59","0.0015","90","","108.288","0.006","90","","9327.3","1.4","100","2","100","2","","","","","","","","7","C 1 2/c 1","-C 2yc","15","","","","- C38 H50 F12 Fe N6 P2 Zr2 -","- C38 H50 F12 Fe N6 P2 Zr2 -","- C304 H400 F96 Fe8 N48 P16 Zr16 -","8","1","","Hitzel, Sandra; Färber, Christian; Bruhn, Clemens; Siemeling, Ulrich","Phosphido complexes derived from 1,1’-ferrocenediyl-bridged secondary diphosphines","Dalton Trans.","2017","","","","","10.1039/C7DT00941K","","","0.71073","MoKα","","0.13","0.0899","","","0.2209","0.2589","","","","","","0.997","","","","has coordinates,has disorder","195771","2020-10-21","18:00:00",""
"7042801","12.0027","0.0004","9.7307","0.0004","27.0982","0.0008","90","","90.452","0.002","90","","3164.83","0.19","173","2","173","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C38 H34 Fe Ni2 P2 -","- C38 H34 Fe Ni2 P2 -","- C152 H136 Fe4 Ni8 P8 -","4","1","","Hitzel, Sandra; Färber, Christian; Bruhn, Clemens; Siemeling, Ulrich","Phosphido complexes derived from 1,1’-ferrocenediyl-bridged secondary diphosphines","Dalton Trans.","2017","","","","","10.1039/C7DT00941K","","","0.71073","MoKα","","0.0325","0.0294","","","0.0739","0.0756","","","","","","1.058","","","","has coordinates","195771","2020-10-21","18:00:00",""
"7042802","20.4381","0.0014","6.4522","0.0003","18.5152","0.0012","90","","116.319","0.005","90","","2188.5","0.2","173","2","173","2","","","","","","","","5","C 1 c 1","C -2yc","9","","","","- C23 H32 Fe Ni P2 -","- C23 H32 Fe Ni P2 -","- C92 H128 Fe4 Ni4 P8 -","4","1","","Hitzel, Sandra; Färber, Christian; Bruhn, Clemens; Siemeling, Ulrich","Phosphido complexes derived from 1,1’-ferrocenediyl-bridged secondary diphosphines","Dalton Trans.","2017","","","","","10.1039/C7DT00941K","","","0.71073","MoKα","","0.0633","0.0629","","","0.1524","0.1533","","","","","","1.059","","","","has coordinates,has disorder","195771","2020-10-21","18:00:00",""
"7042803","10.1479","0.0004","18.7714","0.0006","45.1642","0.0019","90","","96.353","0.003","90","","8550.5","0.6","173","2","173","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C92 H118 Fe3 Ni6 O2 P6 -","- C92 H118 Fe3 Ni6 O2 P6 -","- C368 H472 Fe12 Ni24 O8 P24 -","4","0.5","","Hitzel, Sandra; Färber, Christian; Bruhn, Clemens; Siemeling, Ulrich","Phosphido complexes derived from 1,1’-ferrocenediyl-bridged secondary diphosphines","Dalton Trans.","2017","","","","","10.1039/C7DT00941K","","","0.71073","MoKα","","0.0298","0.0254","","","0.0629","0.0653","","","","","","1.035","","","","has coordinates","195771","2020-10-21","18:00:00",""
"7042804","10.5717","0.0009","10.944","0.0009","13.6502","0.001","70.253","0.006","80.074","0.006","89.001","0.007","1462.7","0.2","173","2","173","2","","","","","","","","6","P -1","-P 1","2","","","","- C52 H92 Fe2 Li4 N4 P4 -","- C52 H92 Fe2 Li4 N4 P4 -","- C52 H92 Fe2 Li4 N4 P4 -","1","0.5","","Hitzel, Sandra; Färber, Christian; Bruhn, Clemens; Siemeling, Ulrich","Phosphido complexes derived from 1,1’-ferrocenediyl-bridged secondary diphosphines","Dalton Trans.","2017","","","","","10.1039/C7DT00941K","","","0.71073","MoKα","","0.0701","0.0494","","","0.1228","0.1372","","","","","","1.054","","","","has coordinates","195771","2020-10-21","18:00:00",""
"7042805","5.961","0.0008","8.9856","0.0011","9.7083","0.0012","65.07","0.009","80.485","0.01","78.753","0.01","460.48","0.11","100","2","100","2","","","","","","","","4","P -1","-P 1","2","","","","- C18 H28 Fe P2 -","- C18 H28 Fe P2 -","- C18 H28 Fe P2 -","1","0.5","","Hitzel, Sandra; Färber, Christian; Bruhn, Clemens; Siemeling, Ulrich","Phosphido complexes derived from 1,1’-ferrocenediyl-bridged secondary diphosphines","Dalton Trans.","2017","","","","","10.1039/C7DT00941K","","","0.71073","MoKα","","0.0397","0.0385","","","0.1411","0.1425","","","","","","1.299","","","","has coordinates","195771","2020-10-21","18:00:00",""
"7042806","10.5735","0.0006","12.3319","0.0007","14.384","0.0008","87.958","0.005","74.515","0.004","87.467","0.005","1805.15","0.18","153","2","153","2","","","","","","","","5","P -1","-P 1","2","","","","- C36 H54 Fe2 Ni P4 -","- C36 H54 Fe2 Ni P4 -","- C72 H108 Fe4 Ni2 P8 -","2","1","","Hitzel, Sandra; Färber, Christian; Bruhn, Clemens; Siemeling, Ulrich","Phosphido complexes derived from 1,1’-ferrocenediyl-bridged secondary diphosphines","Dalton Trans.","2017","","","","","10.1039/C7DT00941K","","","0.71073","MoKα","","0.0315","0.0282","","","0.0741","0.0799","","","","","","1.088","","","","has coordinates","195771","2020-10-21","18:00:00",""
"7042807","13.4517","0.0004","16.4468","0.0004","35.2138","0.0013","90","","98.545","0.003","90","","7704.1","0.4","100","2","100","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C34 H54 Fe N6 P2 Zr2 -","- C34 H54 Fe N6 P2 Zr2 -","- C272 H432 Fe8 N48 P16 Zr16 -","8","2","","Hitzel, Sandra; Färber, Christian; Bruhn, Clemens; Siemeling, Ulrich","Phosphido complexes derived from 1,1’-ferrocenediyl-bridged secondary diphosphines","Dalton Trans.","2017","","","","","10.1039/C7DT00941K","","","0.71073","MoKα","","0.05","0.0388","","","0.0931","0.1001","","","","","","1.031","","","","has coordinates","195771","2020-10-21","18:00:00",""
"7042808","10.758","0.003","10.896","0.003","11.559","0.003","85.079","0.014","81.257","0.015","83.576","0.015","1327.5","0.6","200","2","200","2","","","","","","","","6","P -1","-P 1","2","","","","- C22 H21 Cl4 N4 O4 Re -","- C22 H21 Cl4 N4 O4 Re -","- C44 H42 Cl8 N8 O8 Re2 -","2","1","","Richeson, Darrin; Rao, Gyandshwar Kumar; Jamshidi, Mohammad Parsa; Dawkins, Jeremy; Pell, Wendy; Korobkov, Ilia","Electrocatalytic Generation of H2 from Neutral Water in Acetonitrile Using Manganese Polypyridyl Complexes with Ligand Assistance","Dalton Trans.","2017","","","","","10.1039/C7DT01039G","","","0.71073","MoKα","","0.0258","0.0236","","","0.0638","0.0651","","","","","","1.083","","","","has coordinates","195772","2020-10-21","18:00:00",""
"7042809","16.8249","0.0014","24.919","0.002","12.1149","0.001","90","","90","","90","","5079.3","0.7","200","2","200","2","","","","","","","","7","P 21 21 2","P 2 2ab","18","","","","- C44 H38 F6 N8 O13 Re2 S2 -","- C44 H38 F6 N8 O13 Re2 S2 -","- C176 H152 F24 N32 O52 Re8 S8 -","4","1","","Richeson, Darrin; Rao, Gyandshwar Kumar; Jamshidi, Mohammad Parsa; Dawkins, Jeremy; Pell, Wendy; Korobkov, Ilia","Electrocatalytic Generation of H2 from Neutral Water in Acetonitrile Using Manganese Polypyridyl Complexes with Ligand Assistance","Dalton Trans.","2017","","","","","10.1039/C7DT01039G","","","0.71073","MoKα","","0.0319","0.0248","","","0.0545","0.057","","","","","","1.015","","","","has coordinates,has disorder","195772","2020-10-21","18:00:00",""
"7042810","19.4368","0.0005","17.2451","0.0004","10.5985","0.0003","90","","115.884","0.002","90","","3196.12","0.15","150","2","150","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C34 H28 Cl4 Fe N4 O -","- C34 H28 Cl4 Fe N4 O -","- C136 H112 Cl16 Fe4 N16 O4 -","4","0.5","","Folkertsma, E.; Benthem, S. H.; Witteman, L.; van Slagmaat, C. A. M. R.; Lutz, M.; Klein Gebbink, R. J. M.; Moret, M.-E.","Formation of exceptionally weak C‒C bonds by metal-templated pinacol coupling","Dalton Trans.","2017","","","","","10.1039/C7DT01130J","","","0.71073","MoKα","","0.0395","0.0298","","","0.0766","0.0802","","","","","","1.041","","","","has coordinates,has disorder","195773","2020-10-21","18:00:00",""
"7042811","19.3128","0.0008","17.2091","0.0005","10.5274","0.0004","90","","115.255","0.002","90","","3164.4","0.2","110","2","110","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C34 H28 Cl4 N4 O Zn -","- C34 H28 Cl4 N4 O Zn -","- C136 H112 Cl16 N16 O4 Zn4 -","4","0.5","","Folkertsma, E.; Benthem, S. H.; Witteman, L.; van Slagmaat, C. A. M. R.; Lutz, M.; Klein Gebbink, R. J. M.; Moret, M.-E.","Formation of exceptionally weak C‒C bonds by metal-templated pinacol coupling","Dalton Trans.","2017","","","","","10.1039/C7DT01130J","","","0.71073","MoKα","","0.0242","0.022","","","0.0551","0.0561","","","","","","1.055","","","","has coordinates,has disorder","195773","2020-10-21","18:00:00",""
"7042812","14.9079","0.0003","10.522","0.0002","16.5128","0.0003","90","","95.862","0.001","90","","2576.67","0.09","150","2","150","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C33 H26 N4 O -","- C33 H26 N4 O -","- C132 H104 N16 O4 -","4","1","","Folkertsma, E.; Benthem, S. H.; Witteman, L.; van Slagmaat, C. A. M. R.; Lutz, M.; Klein Gebbink, R. J. M.; Moret, M.-E.","Formation of exceptionally weak C‒C bonds by metal-templated pinacol coupling","Dalton Trans.","2017","","","","","10.1039/C7DT01130J","","","0.71073","MoKα","","0.0453","0.0369","","","0.0921","0.0969","","","","","","1.045","","","","has coordinates","195773","2020-10-21","18:00:00",""
"7042813","9.1793","0.0004","12.1666","0.0005","15.4997","0.0006","96.363","0.002","102.112","0.002","100.294","0.002","1645.33","0.12","150","2","150","2","","","","","","","","6","P -1","-P 1","2","","","","- C36 H33 Cl3 Fe N4 O1.5 -","- C36 H33 Cl3 Fe N4 O1.5 -","- C72 H66 Cl6 Fe2 N8 O3 -","2","1","","Folkertsma, E.; Benthem, S. H.; Witteman, L.; van Slagmaat, C. A. M. R.; Lutz, M.; Klein Gebbink, R. J. M.; Moret, M.-E.","Formation of exceptionally weak C‒C bonds by metal-templated pinacol coupling","Dalton Trans.","2017","","","","","10.1039/C7DT01130J","","","0.71073","MoKα","","0.0702","0.0445","","","0.1002","0.1112","","","","","","1.023","","","","has coordinates,has disorder","195773","2020-10-21","18:00:00",""
"7042814","10.6545","0.0004","12.7083","0.0006","15.0735","0.0006","67.7","0.002","72.709","0.002","79.513","0.002","1797.43","0.13","210","2","210","2","","","","","","","","6","P -1","-P 1","2","","","","- C66 H52 Cl2 N8 O2 Zn2 -","- C66 H52 Cl2 N8 O2 Zn2 -","- C66 H52 Cl2 N8 O2 Zn2 -","1","0.5","","Folkertsma, E.; Benthem, S. H.; Witteman, L.; van Slagmaat, C. A. M. R.; Lutz, M.; Klein Gebbink, R. J. M.; Moret, M.-E.","Formation of exceptionally weak C‒C bonds by metal-templated pinacol coupling","Dalton Trans.","2017","","","","","10.1039/C7DT01130J","","","0.71073","MoKα","","0.0325","0.0281","","","0.0738","0.0757","","","","","","1.056","","","","has coordinates,has disorder","195773","2020-10-21","18:00:00",""
"7042815","14.2435","0.0003","17.6941","0.0006","25.672","0.0007","90","","103.152","0.002","90","","6300.3","0.3","150","2","150","2","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C139 H118 Cl10 Fe4 N16 O5 -","- C139 H118 Cl10 Fe4 N16 O5 -","- C278 H236 Cl20 Fe8 N32 O10 -","2","1","","Folkertsma, E.; Benthem, S. H.; Witteman, L.; van Slagmaat, C. A. M. R.; Lutz, M.; Klein Gebbink, R. J. M.; Moret, M.-E.","Formation of exceptionally weak C‒C bonds by metal-templated pinacol coupling","Dalton Trans.","2017","","","","","10.1039/C7DT01130J","","","0.71073","MoKα","","0.0639","0.0537","","","0.1372","0.1468","","","","","","1.016","","","","has coordinates,has disorder","195773","2020-10-21","18:00:00",""
"7042816","14.9008","0.0004","10.5199","0.0003","16.5097","0.0004","90","","95.831","0.001","90","","2574.59","0.12","150","2","150","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C33 H26 N4 O -","- C33 H26 N4 O -","- C132 H104 N16 O4 -","4","1","","Folkertsma, E.; Benthem, S. H.; Witteman, L.; van Slagmaat, C. A. M. R.; Lutz, M.; Klein Gebbink, R. J. M.; Moret, M.-E.","Formation of exceptionally weak C‒C bonds by metal-templated pinacol coupling","Dalton Trans.","2017","","","","","10.1039/C7DT01130J","","","0.71073","MoKα","","0.045","0.0375","","","0.0938","0.0983","","","","","","1.04","","","","has coordinates","195773","2020-10-21","18:00:00",""
"7042817","9.8959","0.0003","10.4838","0.0003","14.8613","0.0004","85.874","0.002","71.593","0.002","81.046","0.002","1444.67","0.07","150","2","150","2","","","","","","","","6","P -1","-P 1","2","","","","- C33 H26 Cl2 N4 O Zn -","- C33 H26 Cl2 N4 O Zn -","- C66 H52 Cl4 N8 O2 Zn2 -","2","1","","Folkertsma, E.; Benthem, S. H.; Witteman, L.; van Slagmaat, C. A. M. R.; Lutz, M.; Klein Gebbink, R. J. M.; Moret, M.-E.","Formation of exceptionally weak C‒C bonds by metal-templated pinacol coupling","Dalton Trans.","2017","","","","","10.1039/C7DT01130J","","","0.71073","MoKα","","0.0293","0.0236","","","0.058","0.0603","","","","","","1.033","","","","has coordinates","195773","2020-10-21","18:00:00",""
"7042818","10.878","0.0002","17.5543","0.0004","20.7334","0.0005","90","","90","","90","","3959.16","0.15","100","2","100","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C46 H45 B Fe2 P2 Sn -","- C46 H45 B Fe2 P2 Sn -","- C184 H180 B4 Fe8 P8 Sn4 -","4","1","","Tagne Kuate, Alain C.; Lalancette, Roger A.; Jäkle, F.","Planar-chiral ferrocenylphosphine-borane complexes featuring agostic-type B‒H⋯E (E = Hg, Sn) interactions","Dalton Trans.","2017","","","","","10.1039/C6DT04791B","","","1.54178","CuKα","","0.0223","0.0207","","","0.0432","0.0435","","","","","","0.983","","","","has coordinates","195797","2020-10-21","18:00:00",""
"7042819","7.3385","0.0002","16.5867","0.0004","19.1137","0.0005","90","","90","","90","","2326.55","0.1","100","2","100","2","","","","","","","","7","P 21 21 21","P 2ac 2ab","19","","","","- C24 H27 B Cl Fe P Sn -","- C24 H27 B Cl Fe P Sn -","- C96 H108 B4 Cl4 Fe4 P4 Sn4 -","4","1","","Tagne Kuate, Alain C.; Lalancette, Roger A.; Jäkle, F.","Planar-chiral ferrocenylphosphine-borane complexes featuring agostic-type B‒H⋯E (E = Hg, Sn) interactions","Dalton Trans.","2017","","","","","10.1039/C6DT04791B","","","1.54178","CuKα","","0.0185","0.0178","","","0.0384","0.0385","","","","","","1.03","","","","has coordinates","195797","2020-10-21","18:00:00",""
"7042820","7.4543","0.0002","16.4141","0.0004","19.3128","0.0004","90","","90","","90","","2363.03","0.1","100","2","100","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C25 H30 B Fe P Sn -","- C25 H30 B Fe P Sn -","- C100 H120 B4 Fe4 P4 Sn4 -","4","1","","Tagne Kuate, Alain C.; Lalancette, Roger A.; Jäkle, F.","Planar-chiral ferrocenylphosphine-borane complexes featuring agostic-type B‒H⋯E (E = Hg, Sn) interactions","Dalton Trans.","2017","","","","","10.1039/C6DT04791B","","","1.54178","CuKα","","0.0167","0.0162","","","0.04","0.0402","","","","","","1.048","","","","has coordinates","195797","2020-10-21","18:00:00",""
"7042821","15.7369","0.0008","15.0095","0.0007","17.5758","0.0008","90","","90","","90","","4151.5","0.3","100","2","100","2","","","","","","","","7","P b c a","-P 2ac 2ab","61","","","","- C22 H21 B Cl Fe Hg P -","- C22 H21 B Cl Fe Hg P -","- C176 H168 B8 Cl8 Fe8 Hg8 P8 -","8","1","","Tagne Kuate, Alain C.; Lalancette, Roger A.; Jäkle, F.","Planar-chiral ferrocenylphosphine-borane complexes featuring agostic-type B‒H⋯E (E = Hg, Sn) interactions","Dalton Trans.","2017","","","","","10.1039/C6DT04791B","","","1.54178","CuKα","","0.0256","0.022","","","0.0654","0.0667","","","","","","1.131","","","","has coordinates","195797","2020-10-21","18:00:00",""
"7042822","12.3817","0.0002","20.4492","0.0004","16.2656","0.0003","90","","101.628","0.002","90","","4033.86","0.13","123.1","","123.1","","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C30 H60 Fe N5 Na O2 Si4 -","- C30 H60 Fe N5 Na O2 Si4 -","- C120 H240 Fe4 N20 Na4 O8 Si16 -","4","1","","Maddock, Lewis; Borilovic, Ivana; McIntyre, Jamie; Kennedy, Alan; Aromi, Guillem; Hevia, Eva","Synthetic, Structural and Magnetic Implications of Introducing 2,2'-Dipyridylamide to Sodium Ferrate Complexes","Dalton Trans.","2017","","","","","10.1039/C7DT01319A","","","0.7107","MoKα","","0.0581","0.0384","","","0.0802","0.088","","","","","","1.031","","","","has coordinates,has disorder","195798","2020-10-21","18:00:00",""
"7042823","9.3817","0.0002","20.4274","0.0004","10.5678","0.0002","90","","104.402","0.002","90","","1961.61","0.07","123","","123","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C32 H52 Fe2 N8 Si4 -","- C32 H52 Fe2 N8 Si4 -","- C64 H104 Fe4 N16 Si8 -","2","0.5","","Maddock, Lewis; Borilovic, Ivana; McIntyre, Jamie; Kennedy, Alan; Aromi, Guillem; Hevia, Eva","Synthetic, Structural and Magnetic Implications of Introducing 2,2'-Dipyridylamide to Sodium Ferrate Complexes","Dalton Trans.","2017","","","","","10.1039/C7DT01319A","","","0.7107","MoKα","","0.0487","0.0335","","","0.0698","0.0749","","","","","","1.035","","","","has coordinates","195798","2020-10-21","18:00:00",""
"7042824","20.5102","0.001","9.6402","0.0004","17.7307","0.0007","90","","99.067","0.004","90","","3462","0.3","123.6","0.8","123.6","0.8","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C37.5 H36 Fe N9 Na O -","- C37.5 H36 Fe N9 Na O -","- C150 H144 Fe4 N36 Na4 O4 -","4","1","","Maddock, Lewis; Borilovic, Ivana; McIntyre, Jamie; Kennedy, Alan; Aromi, Guillem; Hevia, Eva","Synthetic, Structural and Magnetic Implications of Introducing 2,2'-Dipyridylamide to Sodium Ferrate Complexes","Dalton Trans.","2017","","","","","10.1039/C7DT01319A","","","1.5418","CuKα","","0.1151","0.0573","","","0.0985","0.1339","","","","","","0.99","","","","has coordinates,has disorder","195798","2020-10-21","18:00:00",""
"7042825","11.3989","0.0003","16.7647","0.0004","12.0131","0.0003","90","","112.012","0.001","90","","2128.34","0.09","150","2","150","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C50 H50 Mn2 O4 P2 -","- C50 H50 Mn2 O4 P2 -","- C100 H100 Mn4 O8 P4 -","2","0.5","","Solís-Huitrón, Josué; Zúñiga-Villarreal, Noé; Martínez-Otero, Diego; Barquera-Lozada, Jose Enrique","Delocalized and Localized Donating- Accepting Mn-C Interactions in Half-Sandwich Cyclopentadienyl and Pentadienyl Complexes","Dalton Trans.","2017","","","","","10.1039/C7DT00499K","","","0.71073","MoKα","","0.0402","0.0343","","","0.0899","0.0942","","","","","","1.062","","","","has coordinates","195838","2020-10-21","18:00:00",""
"7042826","11.8159","0.0005","8.6579","0.0003","17.7993","0.0008","90","","107.439","0.0015","90","","1737.19","0.12","150","2","150","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C40 H34 Mn2 O4 P2 -","- C40 H34 Mn2 O4 P2 -","- C80 H68 Mn4 O8 P4 -","2","0.5","","Solís-Huitrón, Josué; Zúñiga-Villarreal, Noé; Martínez-Otero, Diego; Barquera-Lozada, Jose Enrique","Delocalized and Localized Donating- Accepting Mn-C Interactions in Half-Sandwich Cyclopentadienyl and Pentadienyl Complexes","Dalton Trans.","2017","","","","","10.1039/C7DT00499K","","","0.71073","MoKα","","0.0515","0.0398","","","0.1018","0.1112","","","","","","1.047","","","","has coordinates","195838","2020-10-21","18:00:00",""
"7042827","9.5676","0.0004","10.9197","0.0004","11.2228","0.0004","105.947","0.0006","112.289","0.0006","104.517","0.0007","956.58","0.06","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","","","- C44 H42 Mn2 O4 P2 -","- C44 H42 Mn2 O4 P2 -","- C44 H42 Mn2 O4 P2 -","1","0.5","","Solís-Huitrón, Josué; Zúñiga-Villarreal, Noé; Martínez-Otero, Diego; Barquera-Lozada, Jose Enrique","Delocalized and Localized Donating- Accepting Mn-C Interactions in Half-Sandwich Cyclopentadienyl and Pentadienyl Complexes","Dalton Trans.","2017","","","","","10.1039/C7DT00499K","","","0.71073","MoKα","","0.0243","0.0241","","","0.066","0.0663","","","","","","1.042","","","","has coordinates","195838","2020-10-21","18:00:00",""
"7042828","16.3527","0.0004","6.1392","0.0002","16.3852","0.0004","90","","95.744","0.001","90","","1636.69","0.08","150","2","150","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C8 H7 Mn O3 -","- C8 H7 Mn O3 -","- C64 H56 Mn8 O24 -","8","2","","Solís-Huitrón, Josué; Zúñiga-Villarreal, Noé; Martínez-Otero, Diego; Barquera-Lozada, Jose Enrique","Delocalized and Localized Donating- Accepting Mn-C Interactions in Half-Sandwich Cyclopentadienyl and Pentadienyl Complexes","Dalton Trans.","2017","","","","","10.1039/C7DT00499K","","","0.71073","MoKα","","0.0449","0.0404","","","0.1012","0.1058","","","","","","1.084","","","","has coordinates","195838","2020-10-21","18:00:00",""
"7042829","16.3357","0.0002","16.3357","0.0002","12.9557","0.0004","90","","90","","90","","3457.29","0.12","293","2","293","2","","","","","","","","5","P 42/n b c","-P 4ac 2b","133","","","","- C28 H30 Cu N14 O15 -","- C28 H30 Cu N14 O15 -","- C112 H120 Cu4 N56 O60 -","4","","","Kumbhar, Avinash; Tayade, Sakharam B.; Dhavale, Vishal Mahesh; Kurungot, Sreekumar; Hey-Hawkins, Evamarie; Lönnecke, Peter; Pujari, Bhalchandra","Proton Conduction in a Hydrogen-Bonded Complex of Copper(II)-Bipyridine Glycoluril Nitrate","Dalton Trans.","2017","","","","","10.1039/C7DT00425G","","","0.71073","MoKα","","0.08","0.0595","","","0.1662","0.1836","","","","","","1.067","","","","has coordinates,has disorder","195839","2020-10-21","18:00:00",""
"7042830","8.5949","0.0003","8.5949","0.0003","27.0385","0.0014","90","","90","","90","","1997.4","0.14","100","2","100.01","","","","","","","","","5","P 43 21 2","P 4nw 2abw","96","","","","- C20 H16 Br2 N4 O2 -","- C20 H16 Br2 N4 O2 -","- C80 H64 Br8 N16 O8 -","4","0.5","","Barry, Dawn; Hawes, Chris Samuel; Byrne, Joseph Peter; la Cour Poulsen, Bjørn; Ruether, Manuel; O'Brien, John E; Gunnlaugsson, Thorfinnur","A folded [2×2] metallo-supramolecular grid from a bis-tridentate (1,2,3-triazol-4-yl)-picolinamide (tzpa) ligand","Dalton Trans.","2017","","","","","10.1039/C7DT01533J","","","0.71073","MoKα","","0.0451","0.0344","","","0.0808","0.086","","","","","","1.058","","","","has coordinates","195840","2020-10-21","18:00:00",""
"7042831","12.4413","0.0008","29.901","0.002","15.8843","0.001","90","","91.688","0.002","90","","5906.5","0.7","100","2","100.01","","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C52 H51 Cu2 N19 O18 -","- C52 H51 Cu2 N19 O18 -","- C208 H204 Cu8 N76 O72 -","4","1","","Barry, Dawn; Hawes, Chris Samuel; Byrne, Joseph Peter; la Cour Poulsen, Bjørn; Ruether, Manuel; O'Brien, John E; Gunnlaugsson, Thorfinnur","A folded [2×2] metallo-supramolecular grid from a bis-tridentate (1,2,3-triazol-4-yl)-picolinamide (tzpa) ligand","Dalton Trans.","2017","","","","","10.1039/C7DT01533J","","x-ray","0.71073","MoKα","","0.1013","0.0626","","","0.1438","0.158","","","","","","1.119","","","","has coordinates,has disorder","195840","2020-10-21","18:00:00",""
"7042832","24.8871","0.0008","24.8871","0.0008","34.3819","0.0014","90","","90","","90","","21295","1.3","100","2","99.99","","","","","","","","","6","I 41/a","-I 4ad","88","","","","- C184 H168 Cl8 N48 O56 Zn4 -","- C184 H168 Cl8 N48 O56 Zn4 -","- C736 H672 Cl32 N192 O224 Zn16 -","4","","","Barry, Dawn; Hawes, Chris Samuel; Byrne, Joseph Peter; la Cour Poulsen, Bjørn; Ruether, Manuel; O'Brien, John E; Gunnlaugsson, Thorfinnur","A folded [2×2] metallo-supramolecular grid from a bis-tridentate (1,2,3-triazol-4-yl)-picolinamide (tzpa) ligand","Dalton Trans.","2017","","","","","10.1039/C7DT01533J","","x-ray","1.54178","CuKα","","0.0597","0.0477","","","0.1355","0.1479","","","","","","1.018","","","","has coordinates,has disorder","195840","2020-10-21","18:00:00",""
"7042833","14.0128","0.0009","15.5058","0.001","20.1206","0.0013","90","","90","","90","","4371.8","0.5","150","2","150","2","","","","","","","","7","P 21 21 21","P 2ac 2ab","19","","","","- C17 H40 B Fe N O P2 -","- C17 H40 B Fe N O P2 -","- C136 H320 B8 Fe8 N8 O8 P16 -","8","2","","Anke, Felix; Han, Delong; Klahn, Marcus; Spannenberg, Anke; Beweries, Torsten","Formation of high-molecular weight polyaminoborane by Fe hydride catalysed dehydrocoupling of methylamine borane","Dalton Trans.","2017","","","","","10.1039/C7DT01487B","","","0.71073","MoKα","","0.0252","0.0225","","","0.0551","0.0567","","","","","","1.015","","","","has coordinates","195841","2020-10-21","18:00:00",""
"7042834","12.7846","0.0005","14.7915","0.0006","17.0792","0.0007","91.261","0.002","97.291","0.002","93.699","0.002","3195.5","0.2","296","2","296","2","","","","","","","","6","P -1","-P 1","2","","","","- C108 H112 Br2 N52 O34 U -","- C108 H112 Br2 N52 O34 U -","- C108 H112 Br2 N52 O34 U -","1","0.5","","Xie, Zhen-ni; Mei, Lei; Wu, Qunyan; Hu, Kong-qiu; Xia, Liang-Shu; Chai, Zhifang; Shi, Weiqun","Temperature-induced Reversible Single-Crystal-to-Single-Crystal Isomerisation of Uranyl Polyrotaxane: An Exquisite Case of Coordination Variability of Uranyl Center","Dalton Trans.","2017","","","","","10.1039/C7DT01034F","","","0.71073","MoKα","","0.0627","0.0573","","","0.1614","0.1683","","","","","","1.027","","","","has coordinates","195887","2020-10-21","18:00:00",""
"7042835","12.8248","0.0015","14.8362","0.0016","17.044","0.002","91.439","0.005","96.887","0.006","93.574","0.005","3211.6","0.6","320","2","320","2","","","","","","","","6","P -1","-P 1","2","","","","- C108 H112 Br2 N52 O34 U -","- C108 H112 Br2 N52 O34 U -","- C108 H112 Br2 N52 O34 U -","1","0.5","","Xie, Zhen-ni; Mei, Lei; Wu, Qunyan; Hu, Kong-qiu; Xia, Liang-Shu; Chai, Zhifang; Shi, Weiqun","Temperature-induced Reversible Single-Crystal-to-Single-Crystal Isomerisation of Uranyl Polyrotaxane: An Exquisite Case of Coordination Variability of Uranyl Center","Dalton Trans.","2017","","","","","10.1039/C7DT01034F","","","0.71073","MoKα","","0.0503","0.0468","","","0.1323","0.1357","","","","","","1.049","","","","has coordinates","195887","2020-10-21","18:00:00",""
"7042836","12.7767","0.0013","15.3536","0.0016","17.0453","0.0016","90.559","0.005","97.59","0.005","94.644","0.005","3302.9","0.6","296","2","296","2","","","","","","","","6","P -1","-P 1","2","","","","- C108 H112 Br2 N52 O34 U -","- C108 H112 Br2 N52 O34 U -","- C108 H112 Br2 N52 O34 U -","1","0.5","","Xie, Zhen-ni; Mei, Lei; Wu, Qunyan; Hu, Kong-qiu; Xia, Liang-Shu; Chai, Zhifang; Shi, Weiqun","Temperature-induced Reversible Single-Crystal-to-Single-Crystal Isomerisation of Uranyl Polyrotaxane: An Exquisite Case of Coordination Variability of Uranyl Center","Dalton Trans.","2017","","","","","10.1039/C7DT01034F","","","0.71073","MoKα","","0.064","0.0507","","","0.1367","0.1438","","","","","","1.055","","","","has coordinates,has disorder","195887","2020-10-21","18:00:00",""
"7042837","12.6201","0.0004","15.5773","0.0006","17.0824","0.0006","89.556","0.002","81.972","0.002","84.793","0.002","3311.5","0.2","170","2","170","2","","","","","","","","6","P -1","-P 1","2","","","","- C108 H106 Br2 N52 O34 U -","- C108 H106 Br2 N52 O34 U -","- C108 H106 Br2 N52 O34 U -","1","0.5","","Xie, Zhen-ni; Mei, Lei; Wu, Qunyan; Hu, Kong-qiu; Xia, Liang-Shu; Chai, Zhifang; Shi, Weiqun","Temperature-induced Reversible Single-Crystal-to-Single-Crystal Isomerisation of Uranyl Polyrotaxane: An Exquisite Case of Coordination Variability of Uranyl Center","Dalton Trans.","2017","","","","","10.1039/C7DT01034F","","","0.71073","MoKα","","0.0887","0.0747","","","0.2059","0.2203","","","","","","1.053","","","","has coordinates,has disorder","195887","2020-10-21","18:00:00",""
"7042838","12.6946","0.001","14.7727","0.0011","17.0721","0.0012","90.387","0.003","98.122","0.004","94.716","0.004","3158.2","0.4","170","2","170","2","","","","","","","","6","P -1","-P 1","2","","","","- C108 H112 Br2 N52 O34 U -","- C108 H112 Br2 N52 O34 U -","- C108 H112 Br2 N52 O34 U -","1","0.5","","Xie, Zhen-ni; Mei, Lei; Wu, Qunyan; Hu, Kong-qiu; Xia, Liang-Shu; Chai, Zhifang; Shi, Weiqun","Temperature-induced Reversible Single-Crystal-to-Single-Crystal Isomerisation of Uranyl Polyrotaxane: An Exquisite Case of Coordination Variability of Uranyl Center","Dalton Trans.","2017","","","","","10.1039/C7DT01034F","","","0.71073","MoKα","","0.1163","0.0973","","","0.233","0.2472","","","","","","1.114","","","","has coordinates,has disorder","195887","2020-10-21","18:00:00",""
"7042839","12.438","0.003","13.804","0.003","16.809","0.003","102.88","0.03","98.96","0.03","109.28","0.03","2571.8","1.3","100","2","100","2","","","","","","","","7","P -1","-P 1","2","[Fe(qsal-Br)(thsa)]MeCN","","","- C26 H20 Br Fe N6 O2 S -","- C26 H20 Br Fe N6 O2 S -","- C104 H80 Br4 Fe4 N24 O8 S4 -","4","2","","Murray, Keith S.; Phonsri, Wasinee; Macedo, David; Davies, Casey G.; Jameson, Guy N. L.; Moubaraki, Boujemaa","Heteroleptic Iron(III) Schiff Base Spin Crossover Complexes; Halogen Substitution, Solvent Loss and Crystallite Size Effects","Dalton Trans.","2017","","","","","10.1039/C7DT00947J","","","0.71073","Synchrotron","","0.114","0.0831","","","0.2018","0.2243","","","","","","1.143","","","","has coordinates","195888","2020-10-21","18:00:00",""
"7042840","12.28","0.003","13.82","0.003","16.8","0.003","103.12","0.03","98.99","0.03","109.39","0.03","2534.6","1.3","100","2","100","2","","","","","","","","7","P -1","-P 1","2","","[Fe(qsal-Cl)(thsa)]MeCN","","- C26 H20 Cl Fe N6 O2 S -","- C26 H20 Cl Fe N6 O2 S -","- C104 H80 Cl4 Fe4 N24 O8 S4 -","4","2","","Murray, Keith S.; Phonsri, Wasinee; Macedo, David; Davies, Casey G.; Jameson, Guy N. L.; Moubaraki, Boujemaa","Heteroleptic Iron(III) Schiff Base Spin Crossover Complexes; Halogen Substitution, Solvent Loss and Crystallite Size Effects","Dalton Trans.","2017","","","","","10.1039/C7DT00947J","","","0.71073","Synchrotron","","0.0633","0.0431","","","0.1045","0.115","","","","","","1.012","","","","has coordinates","195888","2020-10-21","18:00:00",""
"7042841","12.28","0.003","13.869","0.003","16.607","0.003","103.4","0.03","99.34","0.03","108.56","0.03","2521.4","1.2","100","2","100","2","","","","","","","","7","P -1","-P 1","2","","[Fe(qsal-Cl)(thsa)]","","- C24 H17 Cl Fe N5 O2 S -","- C24 H17 Cl Fe N5 O2 S -","- C96 H68 Cl4 Fe4 N20 O8 S4 -","4","2","","Murray, Keith S.; Phonsri, Wasinee; Macedo, David; Davies, Casey G.; Jameson, Guy N. L.; Moubaraki, Boujemaa","Heteroleptic Iron(III) Schiff Base Spin Crossover Complexes; Halogen Substitution, Solvent Loss and Crystallite Size Effects","Dalton Trans.","2017","","","","","10.1039/C7DT00947J","","","0.71073","Synchrotron","","0.0881","0.0567","","","0.1546","0.1723","","","","","","1.048","","","","has coordinates","195888","2020-10-21","18:00:00",""
"7042842","12.456","0.003","13.824","0.003","16.723","0.003","102.95","0.03","98.81","0.03","109.24","0.03","2567.7","1.3","100","2","100","2","","","","","","","","7","P -1","-P 1","2","","","","- C25 H18.5 Br Fe N5.5 O2 S -","- C25 H18.5 Br Fe N5.5 O2 S -","- C100 H74 Br4 Fe4 N22 O8 S4 -","4","2","","Murray, Keith S.; Phonsri, Wasinee; Macedo, David; Davies, Casey G.; Jameson, Guy N. L.; Moubaraki, Boujemaa","Heteroleptic Iron(III) Schiff Base Spin Crossover Complexes; Halogen Substitution, Solvent Loss and Crystallite Size Effects","Dalton Trans.","2017","","","","","10.1039/C7DT00947J","","","0.71073","Synchrotron","","0.1243","0.0818","","","0.22","0.25","","","","","","0.977","","","","has coordinates","195888","2020-10-21","18:00:00",""
"7042843","8.599","0.0017","19.287","0.004","15.871","0.003","90","","105.59","0.03","90","","2535.3","0.9","100","2","100","2","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C26 H20 Fe I N6 O2 S -","- C26 H20 Fe I N6 O2 S -","- C104 H80 Fe4 I4 N24 O8 S4 -","4","1","","Murray, Keith S.; Phonsri, Wasinee; Macedo, David; Davies, Casey G.; Jameson, Guy N. L.; Moubaraki, Boujemaa","Heteroleptic Iron(III) Schiff Base Spin Crossover Complexes; Halogen Substitution, Solvent Loss and Crystallite Size Effects","Dalton Trans.","2017","","","","","10.1039/C7DT00947J","","","0.71073","Synchrotron","","0.1451","0.129","","","0.3696","0.3791","","","","","","1.123","","","","has coordinates","195888","2020-10-21","18:00:00",""
"7042844","8.593","0.0017","17.495","0.004","15.888","0.003","90","","105.27","0.03","90","","2304.2","0.9","100","2","100.15","","","","","","","","","7","P 1 21/n 1","-P 2yn","14","[Fe(qsal-I)(thsa)]","","","- C24 H17 Fe I N5 O2 S -","- C24 H17 Fe I N5 O2 S -","- C96 H68 Fe4 I4 N20 O8 S4 -","4","1","","Murray, Keith S.; Phonsri, Wasinee; Macedo, David; Davies, Casey G.; Jameson, Guy N. L.; Moubaraki, Boujemaa","Heteroleptic Iron(III) Schiff Base Spin Crossover Complexes; Halogen Substitution, Solvent Loss and Crystallite Size Effects","Dalton Trans.","2017","","","","","10.1039/C7DT00947J","","","0.71073","Synchrotron","","0.0645","0.0623","","","0.1734","0.1744","","","","","","1.234","","","","has coordinates","195888","2020-10-21","18:00:00",""
"7042845","13.273","0.003","16.547","0.003","16.54","0.003","60.35","0.03","108.54","0.03","110.33","0.03","2912.4","1.4","270","2","270","2","","","","","","","","7","P -1","-P 1","2","[Fe(qsal-F)(thsa)]2.5MeCN","","","- C58 H49 F2 Fe2 N15 O4 S2 -","- C58 H49 F2 Fe2 N15 O4 S2 -","- C116 H98 F4 Fe4 N30 O8 S4 -","2","1","","Murray, Keith S.; Phonsri, Wasinee; Macedo, David; Davies, Casey G.; Jameson, Guy N. L.; Moubaraki, Boujemaa","Heteroleptic Iron(III) Schiff Base Spin Crossover Complexes; Halogen Substitution, Solvent Loss and Crystallite Size Effects","Dalton Trans.","2017","","","","","10.1039/C7DT00947J","","","0.71073","Synchrotron","","0.0515","0.044","","","0.1239","0.1297","","","","","","1.038","","","","has coordinates,has disorder","195888","2020-10-21","18:00:00",""
"7042846","13.066","0.003","16.467","0.003","16.472","0.003","119.54","0.03","109.03","0.03","91.39","0.03","2840.2","1.6","160","2","160","2","","","","","","","","7","P -1","-P 1","2","[Fe(qsal-F)(thsa)]2.5MeCN","","","- C58 H49 F2 Fe2 N15 O4 S2 -","- C58 H49 F2 Fe2 N15 O4 S2 -","- C116 H98 F4 Fe4 N30 O8 S4 -","2","1","","Murray, Keith S.; Phonsri, Wasinee; Macedo, David; Davies, Casey G.; Jameson, Guy N. L.; Moubaraki, Boujemaa","Heteroleptic Iron(III) Schiff Base Spin Crossover Complexes; Halogen Substitution, Solvent Loss and Crystallite Size Effects","Dalton Trans.","2017","","","","","10.1039/C7DT00947J","","","0.71073","Synchrotron","","0.0433","0.0397","","","0.1055","0.1081","","","","","","1.041","","","","has coordinates,has disorder","195888","2020-10-21","18:00:00",""
"7042847","13.324","0.003","16.542","0.003","16.582","0.003","60.64","0.03","71.53","0.03","69.47","0.03","2935.7","1.4","320","2","320","2","","","","","","","","7","P -1","-P 1","2","[Fe(qsal-F)(thsa)]2.5MeCN","","","- C58 H49 F2 Fe2 N15 O4 S2 -","- C58 H49 F2 Fe2 N15 O4 S2 -","- C116 H98 F4 Fe4 N30 O8 S4 -","2","1","","Murray, Keith S.; Phonsri, Wasinee; Macedo, David; Davies, Casey G.; Jameson, Guy N. L.; Moubaraki, Boujemaa","Heteroleptic Iron(III) Schiff Base Spin Crossover Complexes; Halogen Substitution, Solvent Loss and Crystallite Size Effects","Dalton Trans.","2017","","","","","10.1039/C7DT00947J","","","0.71073","Synchrotron","","0.1161","0.0654","","","0.1781","0.2132","","","","","","0.977","","","","has coordinates,has disorder","195888","2020-10-21","18:00:00",""
"7042848","13.3","0.003","16.543","0.003","16.559","0.003","60.5","0.03","71.52","0.03","69.61","0.03","2924.7","1.4","295","2","295","2","","","","","","","","7","P -1","-P 1","2","[Fe(qsal-F)(thsa)]2.5MeCN","","","- C58 H49 F2 Fe2 N15 O4 S2 -","- C58 H49 F2 Fe2 N15 O4 S2 -","- C116 H98 F4 Fe4 N30 O8 S4 -","2","1","","Murray, Keith S.; Phonsri, Wasinee; Macedo, David; Davies, Casey G.; Jameson, Guy N. L.; Moubaraki, Boujemaa","Heteroleptic Iron(III) Schiff Base Spin Crossover Complexes; Halogen Substitution, Solvent Loss and Crystallite Size Effects","Dalton Trans.","2017","","","","","10.1039/C7DT00947J","","","0.71073","Synchrotron","","0.06","0.0473","","","0.131","0.141","","","","","","1.047","","","","has coordinates,has disorder","195888","2020-10-21","18:00:00",""
"7042849","13.028","0.003","16.447","0.003","16.435","0.003","60.35","0.03","109.39","0.03","110.82","0.03","2807.3","1.3","100","2","100","2","","","","","","","","7","P -1","-P 1","2","[Fe(qsal-F)(thsa)]2.5MeCN","","","- C58 H49 F2 Fe2 N15 O4 S2 -","- C58 H49 F2 Fe2 N15 O4 S2 -","- C116 H98 F4 Fe4 N30 O8 S4 -","2","1","","Murray, Keith S.; Phonsri, Wasinee; Macedo, David; Davies, Casey G.; Jameson, Guy N. L.; Moubaraki, Boujemaa","Heteroleptic Iron(III) Schiff Base Spin Crossover Complexes; Halogen Substitution, Solvent Loss and Crystallite Size Effects","Dalton Trans.","2017","","","","","10.1039/C7DT00947J","","","0.71073","Synchrotron","","0.1246","0.0862","","","0.215","0.2432","","","","","","1.095","","","","has coordinates,has disorder","195888","2020-10-21","18:00:00",""
"7042850","10.577","0.002","10.776","0.002","13.294","0.003","72.25","0.03","88.46","0.03","60.83","0.03","1246.5","0.7","173","","173","","","","","","","","","6","P 1","P 1","1","","","","- C52 H39 Br2 N3 Ni O2 -","- C52 H39 Br2 N3 Ni O2 -","- C52 H39 Br2 N3 Ni O2 -","1","1","","Mahmood, Qaiser; Zemg, Yanning; Wang, Xinxin; Sun, Yang; Sun, Wen Hua","Advancing polyethylene properties by incorporating ‒NO2 moiety in 1,2-bis(arylimino)acenaphthylylnickel precatalysts: Synthesis, characterization and ethylene polymerization","Dalton Trans.","2017","","","","","10.1039/C7DT01295K","","","0.71073","MoKα","","0.0442","0.0436","","","0.1154","0.1164","","","","","","1.053","","","","has coordinates","195889","2020-10-21","18:00:00",""
"7042851","14.378","0.003","11.187","0.002","30.36","0.006","90","","94.51","0.03","90","","4868.2","1.7","173.15","","173.15","","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C58 H53 Br2 N3 Ni O3 -","- C58 H53 Br2 N3 Ni O3 -","- C232 H212 Br8 N12 Ni4 O12 -","4","1","","Mahmood, Qaiser; Zemg, Yanning; Wang, Xinxin; Sun, Yang; Sun, Wen Hua","Advancing polyethylene properties by incorporating ‒NO2 moiety in 1,2-bis(arylimino)acenaphthylylnickel precatalysts: Synthesis, characterization and ethylene polymerization","Dalton Trans.","2017","","","","","10.1039/C7DT01295K","","","0.71073","MoKα","","0.0562","0.0538","","","0.1349","0.1366","","","","","","1.0618","","","","has coordinates","195889","2020-10-21","18:00:00",""
"7042852","24.6587","0.0009","24.8939","0.0007","22.327","0.0008","90","","111.555","0.004","90","","12747","0.8","173","2","173","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C40 H32 N4 O4 Zn -","- C40 H32 N4 O4 Zn -","- C320 H256 N32 O32 Zn8 -","8","1","","Zhang, Ya-Jun; Chen, Cheng; Ji, Min; Cai, Li-Xuan; Tan, Bin; Yang, Xiao-Dong; Zhang, Jie","Post-cycloaddition modification of a porous MOF for improved GC separation of ethanol and water","Dalton Trans.","2017","","","","","10.1039/C7DT01147D","","","1.54178","CuKα","","0.1221","0.0853","","","0.2371","0.2595","","","","","","1.03","","","","has coordinates","195900","2020-10-21","18:00:00",""
"7042853","8.899","0.0005","14.7907","0.0007","8.9987","0.0008","90","","111.494","0.002","90","","1102.06","0.13","100","2","100","2","","","","","","","","5","C 1 2/m 1","-C 2y","12","","","","- C18 H14 F12 N4 O2 -","- C18 H14 F12 N4 O2 -","- C36 H28 F24 N8 O4 -","2","0.25","","Fritzsche, Julia Christina; Grzywa, Maciej; Denysenko, Dmytro; Bon, Volodymyr; Senkovska, Irena; Kaskel, Stefan; Volkmer, Dirk","CFA-4 - a fluorinated metal-organic framework with exchangeable interchannel cations","Dalton Trans.","2017","","","","","10.1039/C7DT00582B","","","0.71073","MoKα","","0.0388","0.0286","","","0.0662","0.072","","","","","","0.945","","","","has coordinates","195901","2020-10-21","18:00:00",""
"7042854","23.63","0.005","23.63","0.005","41.39","0.005","90","0.005","90","0.005","120","0.005","20015","7","293","2","293","2","","","","","","","","6","P 63 2 2","P 6c 2c","182","","","","- C62.25 H45.25 Cu6 F36 N16.75 O4.75 -","- C48 H12 Cu5 F36 N12 -","- C288 H72 Cu30 F216 N72 -","6","0.5","","Fritzsche, Julia Christina; Grzywa, Maciej; Denysenko, Dmytro; Bon, Volodymyr; Senkovska, Irena; Kaskel, Stefan; Volkmer, Dirk","CFA-4 - a fluorinated metal-organic framework with exchangeable interchannel cations","Dalton Trans.","2017","","","","","10.1039/C7DT00582B","","","0.88561","synchrotron","","0.1011","0.0506","","","0.1387","0.1656","","","","","","0.983","","","","has coordinates,has disorder","195901","2020-10-21","18:00:00",""
"7042855","10.519","0.0005","7.2737","0.0006","10.4185","0.0005","90","","115.558","0.004","90","","719.14","0.08","180","2","180","2","","","","","","","","4","P 1 2/c 1","-P 2yc","13","","1,1-dichlorosilacyclopentane","","- C4 H8 Cl2 Si -","- C4 H8 Cl2 Si -","- C16 H32 Cl8 Si4 -","4","1","","Wagler, Jörg; Gericke, Robert","Molecular structures of various alkyldichlorosilanes in the solid state","Dalton Trans.","2017","","","","","10.1039/C7DT00300E","","","0.71073","MoKα","","0.0376","0.0368","","","0.0966","0.0973","","","","","","1.132","","","","has coordinates","195902","2020-10-21","18:00:00",""
"7042856","9.1265","0.0006","8.4569","0.0006","10.6073","0.0008","90","","90.733","0.006","90","","818.62","0.1","170","2","170","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","1,1-dichlorosilacyclohexane","","- C5 H10 Cl2 Si -","- C5 H10 Cl2 Si -","- C20 H40 Cl8 Si4 -","4","1","","Wagler, Jörg; Gericke, Robert","Molecular structures of various alkyldichlorosilanes in the solid state","Dalton Trans.","2017","","","","","10.1039/C7DT00300E","","","0.71073","MoKα","","0.0314","0.0287","","","0.0702","0.0718","","","","","","1.103","","","","has coordinates","195902","2020-10-21","18:00:00",""
"7042857","8.7688","0.0012","9.1937","0.0014","7.948","0.0009","90","","90","","90","","640.75","0.15","170","2","170","2","","","","","","","","4","C m c m","-C 2c 2","63","","dimethyldichlorosilane","","- C2 H6 Cl2 Si -","- C2 H6 Cl2 Si -","- C8 H24 Cl8 Si4 -","4","0.25","","Wagler, Jörg; Gericke, Robert","Molecular structures of various alkyldichlorosilanes in the solid state","Dalton Trans.","2017","","","","","10.1039/C7DT00300E","","","0.71073","MoKα","","0.0297","0.0281","","","0.0674","0.0679","","","","","","1.251","","","","has coordinates","195902","2020-10-21","18:00:00",""
"7042858","5.9079","0.0015","6.3658","0.0015","8.112","0.002","103.99","0.02","96.08","0.02","116.596","0.018","256.52","0.13","140","2","140","2","","","","","","","","4","P -1","-P 1","2","","methyldichlorosilane","","- C H4 Cl2 Si -","- C H4 Cl2 Si -","- C2 H8 Cl4 Si2 -","2","1","","Wagler, Jörg; Gericke, Robert","Molecular structures of various alkyldichlorosilanes in the solid state","Dalton Trans.","2017","","","","","10.1039/C7DT00300E","","","0.71073","MoKα","","0.026","0.0243","","","0.0628","0.0645","","","","","","1.171","","","","has coordinates","195902","2020-10-21","18:00:00",""
"7042859","6.4048","0.0004","11.3618","0.0005","8.9222","0.0006","90","","94.432","0.005","90","","647.33","0.07","185","2","185","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","1,1-dichlorosilacyclobutane","","- C3 H6 Cl2 Si -","- C3 H6 Cl2 Si -","- C12 H24 Cl8 Si4 -","4","1","","Wagler, Jörg; Gericke, Robert","Molecular structures of various alkyldichlorosilanes in the solid state","Dalton Trans.","2017","","","","","10.1039/C7DT00300E","","","0.71073","MoKα","","0.0346","0.0327","","","0.0856","0.0871","","","","","","1.142","","","","has coordinates","195902","2020-10-21","18:00:00",""
"7042860","9.877","0.0008","6.3981","0.0003","9.8704","0.0007","90","","103.471","0.006","90","","606.59","0.07","165","2","165","2","","","","","","","","4","P 1 c 1","P -2yc","7","","methyltrichlorosilane","","- C H3 Cl3 Si -","- C H3 Cl3 Si -","- C4 H12 Cl12 Si4 -","4","2","","Wagler, Jörg; Gericke, Robert","Molecular structures of various alkyldichlorosilanes in the solid state","Dalton Trans.","2017","","","","","10.1039/C7DT00300E","","","0.71073","MoKα","","0.0503","0.0452","","","0.1237","0.1331","","","","","","1.074","","","","has coordinates","195902","2020-10-21","18:00:00",""
"7042861","39.9194","0.0012","11.8698","0.0003","18.0617","0.0006","90","","91.9193","0.0012","90","","8553.5","0.4","173","2","173","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C28 H33.5 Co F12 Fe2 P2 S6 -","- C28 H46 Co F12 Fe2 P2 S6 -","- C224 H368 Co8 F96 Fe16 P16 S48 -","8","2","","Qu, Jingping; Zhang, Yahui; Yang, Dawei; Li, Ying; Wang, Baomin; Zhao, Xiangyu","Synthesis and Characterization of a Family of Thioether-Dithiolate-Bridged Heteronuclear Iron Complexes","Dalton Trans.","2017","","","","","10.1039/C7DT00719A","","","0.71073","MoKα","","0.0533","0.0412","","","0.1111","0.1158","","","","","","1.197","","","","has coordinates,has disorder","195903","2020-10-21","18:00:00",""
"7042862","8.8586","0.0006","14.7856","0.0007","17.1123","0.001","66.542","0.003","78.47","0.004","80.944","0.004","2007.1","0.2","296","2","296","2","","","","","","","","8","P -1","-P 1","2","","","","- C29 H33 Cl2 Cu F6 Fe2 P S6 -","- C29 H33.492 Cl2 Cu F6 Fe2 P S6 -","- C58 H66.984 Cl4 Cu2 F12 Fe4 P2 S12 -","2","1","","Qu, Jingping; Zhang, Yahui; Yang, Dawei; Li, Ying; Wang, Baomin; Zhao, Xiangyu","Synthesis and Characterization of a Family of Thioether-Dithiolate-Bridged Heteronuclear Iron Complexes","Dalton Trans.","2017","","","","","10.1039/C7DT00719A","","","0.71073","MoKα","","0.0791","0.0666","","","0.188","0.1975","","","","","","1.016","","","","has coordinates,has disorder","195903","2020-10-21","18:00:00",""
"7042863","11.3865","0.0016","52.654","0.007","10.1696","0.0012","90","","123.991","0.002","90","","5055.3","1.2","296","2","296","2","","","","","","","","8","C 1 c 1","C -2yc","9","","","","- C36 H58 F12 Fe2 N4 P2 Pd S6 -","- C36 H58 F12 Fe2 N4 P2 Pd S6 -","- C144 H232 F48 Fe8 N16 P8 Pd4 S24 -","4","1","","Qu, Jingping; Zhang, Yahui; Yang, Dawei; Li, Ying; Wang, Baomin; Zhao, Xiangyu","Synthesis and Characterization of a Family of Thioether-Dithiolate-Bridged Heteronuclear Iron Complexes","Dalton Trans.","2017","","","","","10.1039/C7DT00719A","","","0.71073","MoKα","","0.0386","0.0307","","","0.0701","0.073","","","","","","0.987","","","","has coordinates","195903","2020-10-21","18:00:00",""
"7042864","12.9715","0.0003","13.7519","0.0004","20.3281","0.0006","90","","90","","90","","3626.18","0.17","296","2","296","2","","","","","","","","7","P 21 21 21","P 2ac 2ab","19","","","","- C32 H38 Au F6 Fe P2 S3 -","- C32 H38 Au F6 Fe P2 S3 -","- C128 H152 Au4 F24 Fe4 P8 S12 -","4","1","","Qu, Jingping; Zhang, Yahui; Yang, Dawei; Li, Ying; Wang, Baomin; Zhao, Xiangyu","Synthesis and Characterization of a Family of Thioether-Dithiolate-Bridged Heteronuclear Iron Complexes","Dalton Trans.","2017","","","","","10.1039/C7DT00719A","","","0.71073","MoKα","","0.0404","0.0313","","","0.0719","0.0754","","","","","","0.984","","","","has coordinates","195903","2020-10-21","18:00:00",""
"7042865","39.3157","0.0014","11.8932","0.0005","18.1269","0.0006","90","","92.5325","0.0013","90","","8467.7","0.5","173","2","173","2","","","","","","","","8","P 1 21/c 1","-P 2ybc","14","","","","- C H Cl F Fe Ni P S -","- C3.73333 F1.6 Fe0.266667 Ni0.133333 P0.266667 S0.8 -","- C224 F96 Fe16 Ni8 P16 S48 -","60","15","","Qu, Jingping; Zhang, Yahui; Yang, Dawei; Li, Ying; Wang, Baomin; Zhao, Xiangyu","Synthesis and Characterization of a Family of Thioether-Dithiolate-Bridged Heteronuclear Iron Complexes","Dalton Trans.","2017","","","","","10.1039/C7DT00719A","","","0.71073","MoKα","","0.1456","0.1338","","","0.3841","0.3922","","","","","","1.897","","","","has coordinates,has disorder","195903","2020-10-21","18:00:00",""
"7042866","14.408","0.002","16.545","0.002","16.329","0.002","90","","108.902","0.002","90","","3682.6","0.8","296","2","296","2","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C28 H46 Ag F6 Fe2 P S6 -","- C28 H46 Ag F6 Fe2 P S6 -","- C112 H184 Ag4 F24 Fe8 P4 S24 -","4","1","","Qu, Jingping; Zhang, Yahui; Yang, Dawei; Li, Ying; Wang, Baomin; Zhao, Xiangyu","Synthesis and Characterization of a Family of Thioether-Dithiolate-Bridged Heteronuclear Iron Complexes","Dalton Trans.","2017","","","","","10.1039/C7DT00719A","","","0.71073","MoKα","","0.0659","0.0511","","","0.1408","0.1505","","","","","","1.061","","","","has coordinates","195903","2020-10-21","18:00:00",""
"7042867","12.303","0.003","5.3098","0.0011","18.885","0.004","90","","101.993","0.002","90","","1206.8","0.5","173","2","173","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C22 H28 Br2 N4 Pd -","- C22 H28 Br2 N4 Pd -","- C44 H56 Br4 N8 Pd2 -","2","0.5","","Liu, Wenhui; Wang, Qi; Zheng, Yan; Wang, Shubin; Yan, Yan; Yang, Yanzhao","Extraction behaviour and mechanism of Pt(IV) and Pd(II) by liquid-liquid extraction with ionic liquid [HBBIm]Br","Dalton Trans.","2017","","","","","10.1039/C7DT01142C","","","0.71","MoKα","","0.073","0.0571","","","0.1542","0.1679","","","","","","1.098","","","","has coordinates","195904","2020-10-21","18:00:00",""
"7042868","10.5862","0.0005","10.6734","0.0005","18.5264","0.001","85.038","0.002","84.783","0.002","74.549","0.002","2005.07","0.17","296","2","296","2","","","","","","","","8","P -1","-P 1","2","","","","- C39 H47 Cl3 Fe Ge N2 O Si -","- C39 H47 Cl3 Fe Ge N2 O Si -","- C78 H94 Cl6 Fe2 Ge2 N4 O2 Si2 -","2","1","","Wang, Yuzhong; Hickox, Hunter P.; Wei, Pingrong; Robinson, Gregory H.","C4-Ferrocenylsilyl-bridged and -substituted N-heterocyclic carbenes: complexation of germanium chloride.","Dalton transactions (Cambridge, England : 2003)","2017","46","17","5508","5512","10.1039/c7dt00066a","","","0.71073","MoKα","","0.1034","0.0707","","","0.1598","0.177","","","","","","1.073","","","","has coordinates","195905","2020-10-21","18:00:00",""
"7042869","12.1909","0.0009","16.9634","0.0012","20.152","0.0014","80.614","0.002","82.073","0.002","82.496","0.002","4047.3","0.5","298","2","298","2","","","","","","","","8","P -1","-P 1","2","","","","- C76 H106 Cl4 Fe Ge2 N4 O2 Si2 -","- C76 H106 Cl4 Fe Ge2 N4 O2 Si2 -","- C152 H212 Cl8 Fe2 Ge4 N8 O4 Si4 -","2","1","","Wang, Yuzhong; Hickox, Hunter P.; Wei, Pingrong; Robinson, Gregory H.","C4-Ferrocenylsilyl-bridged and -substituted N-heterocyclic carbenes: complexation of germanium chloride.","Dalton transactions (Cambridge, England : 2003)","2017","46","17","5508","5512","10.1039/c7dt00066a","","","0.71073","MoKα","","0.1155","0.0653","","","0.1599","0.1898","","","","","","1.033","","","","has coordinates,has disorder","195905","2020-10-21","18:00:00",""
"7042870","28.165","0.015","10.265","0.005","22.785","0.012","90","","99.308","0.007","90","","6501","6","297","2","297","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C68 H90 Fe N4 Si2 -","- C68 H90 Fe N4 Si2 -","- C272 H360 Fe4 N16 Si8 -","4","0.5","","Wang, Yuzhong; Hickox, Hunter P.; Wei, Pingrong; Robinson, Gregory H.","C4-Ferrocenylsilyl-bridged and -substituted N-heterocyclic carbenes: complexation of germanium chloride.","Dalton transactions (Cambridge, England : 2003)","2017","46","17","5508","5512","10.1039/c7dt00066a","","","0.71073","MoKα","","0.1693","0.0794","","","0.1474","0.1786","","","","","","1.047","","","","has coordinates,has disorder","195905","2020-10-21","18:00:00",""
"7042871","8.935","0.003","12.508","0.004","16.628","0.005","69.021","0.01","81.901","0.011","81.762","0.011","1709.2","1","296","2","296","2","","","","","","","","6","P -1","-P 1","2","","","","- C33 H49 Cl N2 O Si -","- C33 H49 Cl N2 O Si -","- C66 H98 Cl2 N4 O2 Si2 -","2","1","","Wang, Yuzhong; Hickox, Hunter P.; Wei, Pingrong; Robinson, Gregory H.","C4-Ferrocenylsilyl-bridged and -substituted N-heterocyclic carbenes: complexation of germanium chloride.","Dalton transactions (Cambridge, England : 2003)","2017","46","17","5508","5512","10.1039/c7dt00066a","","","0.71073","MoKα","","0.1017","0.0636","","","0.1594","0.1803","","","","","","1.052","","","","has coordinates,has disorder","195905","2020-10-21","18:00:00",""
"7042872","18.7276","0.0013","18.1214","0.0012","21.7095","0.0015","90","","112.148","0.002","90","","6823.9","0.8","297","2","297","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C37 H43 Cl Fe N2 Si -","- C37 H43 Cl Fe N2 Si -","- C296 H344 Cl8 Fe8 N16 Si8 -","8","2","","Wang, Yuzhong; Hickox, Hunter P.; Wei, Pingrong; Robinson, Gregory H.","C4-Ferrocenylsilyl-bridged and -substituted N-heterocyclic carbenes: complexation of germanium chloride.","Dalton transactions (Cambridge, England : 2003)","2017","46","17","5508","5512","10.1039/c7dt00066a","","","0.71073","MoKα","","0.1661","0.0766","","","0.1372","0.1667","","","","","","1.049","","","","has coordinates,has disorder","195905","2020-10-21","18:00:00",""
"7042873","8.1083","0.0012","8.616","0.0012","12.2991","0.0018","77.039","0.004","87.533","0.004","82.928","0.004","830.9","0.2","296","2","296","2","","","","","","","","6","P -1","-P 1","2","","","","- C17 H14 Cl2 Hg N2 O -","- C17 H14 Cl2 Hg N2 O -","- C34 H28 Cl4 Hg2 N4 O2 -","2","1","","Dong, Yuwei; Fan, Ruiqing; Chen, Wei; Wang, Ping; Yang, Yulin","A Simple Quinolone Schiff-Base Containing CHEF Based Fluorescence ‘turn-on’ Chemosensor for Distinguishing Zn2+ and Hg2+ with High Sensitivity, Selectivity and Reversible","Dalton Trans.","2017","","","","","10.1039/C7DT00956A","","","0.71073","MoKα","","0.0664","0.0452","","","0.0766","0.084","","","","","","0.909","","","","has coordinates","195952","2020-10-21","18:00:00",""
"7042874","7.4923","0.0018","15.272","0.004","15.5","0.004","90","","112.715","0.011","90","","1636","0.7","296","2","296","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C17 H14 Cl2 N2 O Zn -","- C17 H14 Cl2 N2 O Zn -","- C68 H56 Cl8 N8 O4 Zn4 -","4","1","","Dong, Yuwei; Fan, Ruiqing; Chen, Wei; Wang, Ping; Yang, Yulin","A Simple Quinolone Schiff-Base Containing CHEF Based Fluorescence ‘turn-on’ Chemosensor for Distinguishing Zn2+ and Hg2+ with High Sensitivity, Selectivity and Reversible","Dalton Trans.","2017","","","","","10.1039/C7DT00956A","","","0.71073","MoKα","","0.1639","0.0549","","","0.1011","0.1268","","","","","","0.844","","","","has coordinates","195952","2020-10-21","18:00:00",""
"7042875","11.057","0.0008","12.1726","0.001","12.3879","0.0009","90","","106.209","0.007","90","","1601","0.2","123","2","123","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C20 H52 K2 N2 O2 Si4 -","- C20 H52 K2 N2 O2 Si4 -","- C40 H104 K4 N4 O4 Si8 -","2","0.5","","Ojeda-Amador, Ana I.; Martínez-Martínez, Antonio J.; Robertson, Gemma M.; Robertson, Stuart D.; Kennedy, Alan R.; O'Hara, Charles T.","Exploring the solid state and solution structural chemistry of the utility amide potassium hexamethyldisilazide (KHMDS)","Dalton Trans.","2017","","","","","10.1039/C7DT01118K","","","0.71073","MoKα","","0.0501","0.0363","","","0.0759","0.0842","","","","","","1.06","","","","has coordinates,has disorder","195953","2020-10-21","18:00:00",""
"7042876","11.8251","0.0002","11.9313","0.0003","32.6567","0.0008","90","","90","","90","","4607.5","0.18","123","2","123","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C32 H80 K2 N6 Si4 -","- C32 H80 K2 N6 Si4 -","- C128 H320 K8 N24 Si16 -","4","1","","Ojeda-Amador, Ana I.; Martínez-Martínez, Antonio J.; Robertson, Gemma M.; Robertson, Stuart D.; Kennedy, Alan R.; O'Hara, Charles T.","Exploring the solid state and solution structural chemistry of the utility amide potassium hexamethyldisilazide (KHMDS)","Dalton Trans.","2017","","","","","10.1039/C7DT01118K","","","0.71073","MoKα","","0.0411","0.0368","","","0.0753","0.0771","","","","","","1.099","","","","has coordinates","195953","2020-10-21","18:00:00",""
"7042877","22.8421","0.0006","16.2474","0.0004","17.8186","0.0006","90","","90.091","0.002","90","","6612.9","0.3","123","2","123","2","","","","","","","","6","P 1 21/a 1","-P 2yab","14","","","","- C22 H58 K N5 O2 Si2 -","- C22 H58 K N5 O2 Si2 -","- C176 H464 K8 N40 O16 Si16 -","8","2","","Ojeda-Amador, Ana I.; Martínez-Martínez, Antonio J.; Robertson, Gemma M.; Robertson, Stuart D.; Kennedy, Alan R.; O'Hara, Charles T.","Exploring the solid state and solution structural chemistry of the utility amide potassium hexamethyldisilazide (KHMDS)","Dalton Trans.","2017","","","","","10.1039/C7DT01118K","","","1.5418","CuKα","","0.0644","0.0505","","","0.1338","0.1457","","","","","","1.054","","","","has coordinates,has disorder","195953","2020-10-21","18:00:00",""
"7042878","25.0098","0.0006","41.6744","0.0009","11.7634","0.0003","90","","91.606","0.002","90","","12255.8","0.5","123","2","123","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C24 H68 K2 N6 Si4 -","- C24 H68 K2 N6 Si4 -","- C288 H816 K24 N72 Si48 -","12","3","","Ojeda-Amador, Ana I.; Martínez-Martínez, Antonio J.; Robertson, Gemma M.; Robertson, Stuart D.; Kennedy, Alan R.; O'Hara, Charles T.","Exploring the solid state and solution structural chemistry of the utility amide potassium hexamethyldisilazide (KHMDS)","Dalton Trans.","2017","","","","","10.1039/C7DT01118K","","","0.71073","MoKα","","0.0891","0.0485","","","0.1053","0.1135","","","","","","0.949","","","","has coordinates,has disorder","195953","2020-10-21","18:00:00",""
"7042879","9.7944","0.0005","10.5685","0.0006","16.9623","0.0007","90.218","0.004","105.593","0.004","117.417","0.005","1484.42","0.15","123","2","123","2","","","","","","","","5","P -1","-P 1","2","","","","- C19 H44 K2 N2 Si4 -","- C19 H44 K2 N2 Si4 -","- C38 H88 K4 N4 Si8 -","2","1","","Ojeda-Amador, Ana I.; Martínez-Martínez, Antonio J.; Robertson, Gemma M.; Robertson, Stuart D.; Kennedy, Alan R.; O'Hara, Charles T.","Exploring the solid state and solution structural chemistry of the utility amide potassium hexamethyldisilazide (KHMDS)","Dalton Trans.","2017","","","","","10.1039/C7DT01118K","","","1.54184","CuKα","","0.041","0.0396","","","0.1155","0.1167","","","","","","1.075","","","","has coordinates","195953","2020-10-21","18:00:00",""
"7042880","12.2066","0.0004","12.8113","0.0004","15.0375","0.0004","79.045","0.003","81.833","0.002","79.141","0.003","2253.6","0.12","123","2","123","2","","","","","","","","5","P -1","-P 1","2","","","","- C59.2 H144.8 K4 N12 Si8 -","- C59.2 H144.8 K4 N12 Si8 -","- C59.2 H144.8 K4 N12 Si8 -","1","0.5","","Ojeda-Amador, Ana I.; Martínez-Martínez, Antonio J.; Robertson, Gemma M.; Robertson, Stuart D.; Kennedy, Alan R.; O'Hara, Charles T.","Exploring the solid state and solution structural chemistry of the utility amide potassium hexamethyldisilazide (KHMDS)","Dalton Trans.","2017","","","","","10.1039/C7DT01118K","","","0.71073","MoKα","","0.0808","0.0609","","","0.1579","0.1711","","","","","","1.05","","","","has coordinates,has disorder","195953","2020-10-21","18:00:00",""
"7042881","10.363","0.0006","10.6131","0.0006","15.712","0.0006","88.518","0.004","84.889","0.004","61.994","0.006","1519.39","0.16","123","2","123","2","","","","","","","","6","P -1","-P 1","2","","","","- C21 H51 K N2 O6 Si2 -","- C21 H51 K N2 O6 Si2 -","- C42 H102 K2 N4 O12 Si4 -","2","1","","Ojeda-Amador, Ana I.; Martínez-Martínez, Antonio J.; Robertson, Gemma M.; Robertson, Stuart D.; Kennedy, Alan R.; O'Hara, Charles T.","Exploring the solid state and solution structural chemistry of the utility amide potassium hexamethyldisilazide (KHMDS)","Dalton Trans.","2017","","","","","10.1039/C7DT01118K","","","0.71073","MoKα","","0.038","0.0295","","","0.0709","0.0752","","","","","","1.034","","","","has coordinates","195953","2020-10-21","18:00:00",""
"7042882","12.8177","0.0001","16.9272","0.0001","15.8915","0.0001","90","","98.479","0.001","90","","3410.26","0.04","123","2","123","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C40 H112 K4 N8 O2 Si8 -","- C40 H112 K4 N8 O2 Si8 -","- C80 H224 K8 N16 O4 Si16 -","2","0.5","","Ojeda-Amador, Ana I.; Martínez-Martínez, Antonio J.; Robertson, Gemma M.; Robertson, Stuart D.; Kennedy, Alan R.; O'Hara, Charles T.","Exploring the solid state and solution structural chemistry of the utility amide potassium hexamethyldisilazide (KHMDS)","Dalton Trans.","2017","","","","","10.1039/C7DT01118K","","","1.54184","CuKα","","0.0352","0.0306","","","0.0824","0.0853","","","","","","1.073","","","","has coordinates","195953","2020-10-21","18:00:00",""
"7042883","12.1271","0.00015","19.1298","0.00016","15.5311","0.00014","90","","99.414","0.001","90","","3554.52","0.06","123","2","123","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C21 H59 K2 N5 Si4 -","- C21 H59 K2 N5 Si4 -","- C84 H236 K8 N20 Si16 -","4","1","","Ojeda-Amador, Ana I.; Martínez-Martínez, Antonio J.; Robertson, Gemma M.; Robertson, Stuart D.; Kennedy, Alan R.; O'Hara, Charles T.","Exploring the solid state and solution structural chemistry of the utility amide potassium hexamethyldisilazide (KHMDS)","Dalton Trans.","2017","","","","","10.1039/C7DT01118K","","","1.54184","CuKα","","0.0367","0.0331","","","0.0869","0.0901","","","","","","1.042","","","","has coordinates","195953","2020-10-21","18:00:00",""
"7042884","13.1668","0.0011","17.0453","0.0011","15.7608","0.0012","90","","95.649","0.007","90","","3520.1","0.5","123","2","123","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C26 H52 K2 N2 Si4 -","- C26 H52 K2 N2 Si4 -","- C104 H208 K8 N8 Si16 -","4","0.5","","Ojeda-Amador, Ana I.; Martínez-Martínez, Antonio J.; Robertson, Gemma M.; Robertson, Stuart D.; Kennedy, Alan R.; O'Hara, Charles T.","Exploring the solid state and solution structural chemistry of the utility amide potassium hexamethyldisilazide (KHMDS)","Dalton Trans.","2017","","","","","10.1039/C7DT01118K","","","1.54184","CuKα","","0.0638","0.0416","","","0.1032","0.1353","","","","","","1.165","","","","has coordinates","195953","2020-10-21","18:00:00",""
"7042885","12.4604","0.0004","12.4931","0.0003","16.078","0.0005","90","","107.587","0.003","90","","2385.86","0.13","123","2","123","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C35 H76 K2 N2 O8 Si4 -","- C35 H76 K2 N2 O8 Si4 -","- C70 H152 K4 N4 O16 Si8 -","2","0.5","","Ojeda-Amador, Ana I.; Martínez-Martínez, Antonio J.; Robertson, Gemma M.; Robertson, Stuart D.; Kennedy, Alan R.; O'Hara, Charles T.","Exploring the solid state and solution structural chemistry of the utility amide potassium hexamethyldisilazide (KHMDS)","Dalton Trans.","2017","","","","","10.1039/C7DT01118K","","","0.71073","MoKα","","0.0682","0.0522","","","0.1124","0.1182","","","","","","1.215","","","","has coordinates,has disorder","195953","2020-10-21","18:00:00",""
"7042886","16.544","0.003","12.665","0.003","18.291","0.004","90","","95.51","0.03","90","","3814.8","1.4","173.15","","173.15","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C35 H43 Cl7 Cr N3 -","- C35 H43 Cl7 Cr N3 -","- C140 H172 Cl28 Cr4 N12 -","4","1","","Huang, Chuanbing; Du, Shizhen; Solan, Gregory; Sun, Yang; Sun, Wen Hua","From Polyethylene Waxes to HDPE using a α,α'-Bis(arylimino)- 2,3:5,6-bis(pentamethylene)pyridyl-Chromium(III) Chloride Pre-catalyst in Ethylene Polymerisation","Dalton Trans.","2017","","","","","10.1039/C7DT01077J","","","0.710747","MoKα","","0.073","0.0689","","","0.1911","0.2024","","","","","","1.0355","","","","has coordinates","196210","2020-10-21","18:00:00",""
"7042887","13.671","0.003","13.38","0.003","16.481","0.003","90","","105.28","0.03","90","","2908.1","1.1","173.15","","173.15","","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C31 H35 Cl3 Cr N3 -","- C31 H35 Cl3 Cr N3 -","- C124 H140 Cl12 Cr4 N12 -","4","1","","Huang, Chuanbing; Du, Shizhen; Solan, Gregory; Sun, Yang; Sun, Wen Hua","From Polyethylene Waxes to HDPE using a α,α'-Bis(arylimino)- 2,3:5,6-bis(pentamethylene)pyridyl-Chromium(III) Chloride Pre-catalyst in Ethylene Polymerisation","Dalton Trans.","2017","","","","","10.1039/C7DT01077J","","","0.710747","MoKα","","0.0552","0.0512","","","0.1163","0.1189","","","","","","1.165","","","","has coordinates","196210","2020-10-21","18:00:00",""
"7042888","7.5327","0.0013","26.614","0.005","8.4588","0.0015","90","","96.576","0.004","90","","1684.6","0.5","273","2","273","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C6 H11 I4 N3 O2 Zn -","- C6 H11 I4 N3 O2 Zn -","- C24 H44 I16 N12 O8 Zn4 -","4","1","","Shen, Jun-Ju; Wang, Feng; Yu, Tan-Lai; Zhang, Fu-Qiang; Tian, Lu; Fu, Yun-Long","Halogen-dependent photoinduced electron transfer and chromism of three protonated nicotinohydrazide halozincates.","Dalton transactions (Cambridge, England : 2003)","2017","46","16","5414","5419","10.1039/c7dt00457e","","","0.71073","MoKα","","0.0617","0.0593","","","0.1683","0.1712","","","","","","1.065","","","","has coordinates","196239","2020-10-21","18:00:00",""
"7042889","7.3224","0.0007","24.984","0.003","7.8763","0.0008","90","","96.063","0.002","90","","1432.9","0.3","273","2","273","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C6 H11 Br4 N3 O2 Zn -","- C6 H11 Br4 N3 O2 Zn -","- C24 H44 Br16 N12 O8 Zn4 -","4","1","","Shen, Jun-Ju; Wang, Feng; Yu, Tan-Lai; Zhang, Fu-Qiang; Tian, Lu; Fu, Yun-Long","Halogen-dependent photoinduced electron transfer and chromism of three protonated nicotinohydrazide halozincates.","Dalton transactions (Cambridge, England : 2003)","2017","46","16","5414","5419","10.1039/c7dt00457e","","","0.71073","MoKα","","0.055","0.0461","","","0.1351","0.1462","","","","","","1.089","","","","has coordinates","196239","2020-10-21","18:00:00",""
"7042890","7.5665","0.0005","26.29","0.002","8.3233","0.0006","90","","96.386","0.006","90","","1645.4","0.2","293","2","293","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C6 H11 I4 N3 O2 Zn -","- C6 H11 I4 N3 O2 Zn -","- C24 H44 I16 N12 O8 Zn4 -","4","1","","Shen, Jun-Ju; Wang, Feng; Yu, Tan-Lai; Zhang, Fu-Qiang; Tian, Lu; Fu, Yun-Long","Halogen-dependent photoinduced electron transfer and chromism of three protonated nicotinohydrazide halozincates.","Dalton transactions (Cambridge, England : 2003)","2017","46","16","5414","5419","10.1039/c7dt00457e","","","0.71073","MoKα","","0.0635","0.0509","","","0.115","0.1239","","","","","","1.061","","","","has coordinates","196239","2020-10-21","18:00:00",""
"7042891","7.2837","0.0003","23.9755","0.001","7.5568","0.0003","90","","94.575","0.004","90","","1315.44","0.09","293","2","293","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C6 H11 Cl4 N3 O2 Zn -","- C6 H11 Cl4 N3 O2 Zn -","- C24 H44 Cl16 N12 O8 Zn4 -","4","1","","Shen, Jun-Ju; Wang, Feng; Yu, Tan-Lai; Zhang, Fu-Qiang; Tian, Lu; Fu, Yun-Long","Halogen-dependent photoinduced electron transfer and chromism of three protonated nicotinohydrazide halozincates.","Dalton transactions (Cambridge, England : 2003)","2017","46","16","5414","5419","10.1039/c7dt00457e","","","1.54178","CuKα","","0.0404","0.0361","","","0.0972","0.1029","","","","","","1.029","","","","has coordinates","196239","2020-10-21","18:00:00",""
"7042892","11.9844","0.0008","15.3276","0.0011","10.8448","0.0008","90","","90","","90","","1992.1","0.2","100","","100.02","","","","","","","","","6","P n m a","-P 2ac 2n","62","","","","- C21 H21 B F4 N2 Ni -","- C21 H21 B F4 N2 Ni -","- C84 H84 B4 F16 N8 Ni4 -","4","0.5","","Sondermann, Christina; Ringenberg, Mark R.","Tuning the overpotential of electrocatalytically active cyclopentadienylnickel complexes containing 1,4-diaza-1,3-butadienes (DAB) for proton reduction.","Dalton transactions (Cambridge, England : 2003)","2017","46","16","5143","5146","10.1039/c7dt00960g","","","0.71073","MoKα","","0.0431","0.0311","","","0.1099","0.129","","","","","","1.0667","","","","has coordinates,has disorder","196240","2020-10-21","18:00:00",""
"7042893","9.1415","0.0008","21.906","0.002","11.8206","0.001","90","","104.863","0.004","90","","2287.9","0.4","100","","100","","","","","","","","","7","C 1 c 1","C -2yc","9","","","","- C23 H25 B F4 N2 Ni O2 -","- C22.966 H24.898 B F4 N2 Ni O2 -","- C91.864 H99.592 B4 F16 N8 Ni4 O8 -","4","1","","Sondermann, Christina; Ringenberg, Mark R.","Tuning the overpotential of electrocatalytically active cyclopentadienylnickel complexes containing 1,4-diaza-1,3-butadienes (DAB) for proton reduction.","Dalton transactions (Cambridge, England : 2003)","2017","46","16","5143","5146","10.1039/c7dt00960g","","","0.71073","MoKα","","0.0673","0.0552","","","0.1373","0.1453","","","","","","1.0362","","","","has coordinates,has disorder","278046","2022-09-21","15:45:41",""
"7042894","19.742","0.0017","7.5757","0.0005","15.8268","0.0013","90","","90","","90","","2367","0.3","100","","99.99","","","","","","","","","6","P c a 21","P 2c -2ac","29","","","","- C22.988 H19 B F9.965 N2 Ni -","- C22.988 H19 B F9.964 N2 Ni -","- C91.952 H76 B4 F39.856 N8 Ni4 -","4","1","","Sondermann, Christina; Ringenberg, Mark R.","Tuning the overpotential of electrocatalytically active cyclopentadienylnickel complexes containing 1,4-diaza-1,3-butadienes (DAB) for proton reduction.","Dalton transactions (Cambridge, England : 2003)","2017","46","16","5143","5146","10.1039/c7dt00960g","","","0.71073","MoKα","","0.0835","0.0473","","","0.0772","0.0885","","","","","","1.0121","","","","has coordinates,has disorder","278046","2022-09-21","15:45:41",""
"7042895","8.401","0.0006","9.7328","0.0006","14.7598","0.001","71.445","0.002","79.849","0.003","86.645","0.003","1126.19","0.13","150","2","150","2","","","","","","","","3","P -1","-P 1","2","","","","- C30 H28 N2 -","- C30 H28 N2 -","- C60 H56 N4 -","2","1","","Bamford, Karlee L.; Longobardi, Lauren E.; Liu, Lei; Grimme, Stefan; Stephan, Douglas W.","FLP reduction and hydroboration of phenanthrene o-iminoquinones and α-diimines.","Dalton transactions (Cambridge, England : 2003)","2017","46","16","5308","5319","10.1039/c7dt01024a","","","0.71073","MoKα","","0.0574","0.0411","","","0.1127","0.1282","","","","","","1.065","","","","has coordinates","196242","2020-10-21","18:00:00",""
"7042896","13.95","0.003","15.254","0.005","14.255","0.003","90","","91.584","0.016","90","","3032.2","1.3","150","2","150","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C73 H54 B2 Cl2 F10 N4 -","- C73 H54 B2 Cl2 F10 N4 -","- C146 H108 B4 Cl4 F20 N8 -","2","0.5","","Bamford, Karlee L.; Longobardi, Lauren E.; Liu, Lei; Grimme, Stefan; Stephan, Douglas W.","FLP reduction and hydroboration of phenanthrene o-iminoquinones and α-diimines.","Dalton transactions (Cambridge, England : 2003)","2017","46","16","5308","5319","10.1039/c7dt01024a","","","0.71073","MoKα","","0.1614","0.0595","","","0.1021","0.1402","","","","","","1.015","","","","has coordinates,has disorder","196242","2020-10-21","18:00:00",""
"7042897","12.5655","0.0018","10.2491","0.0016","17.699","0.003","90","","99.76","0.005","90","","2246.4","0.6","150","2","150","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C28 H17 B F5 N O -","- C28 H17 B F5 N O -","- C112 H68 B4 F20 N4 O4 -","4","1","","Bamford, Karlee L.; Longobardi, Lauren E.; Liu, Lei; Grimme, Stefan; Stephan, Douglas W.","FLP reduction and hydroboration of phenanthrene o-iminoquinones and α-diimines.","Dalton transactions (Cambridge, England : 2003)","2017","46","16","5308","5319","10.1039/c7dt01024a","","","0.71073","MoKα","","0.1255","0.05","","","0.1101","0.1493","","","","","","0.994","","","","has coordinates","196242","2020-10-21","18:00:00",""
"7042898","20.763","0.004","5.6764","0.0009","35.74","0.006","90","","99.442","0.011","90","","4155.2","1.3","150","2","150","2","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","","","- C28 H24 N2 -","- C28 H24 N2 -","- C224 H192 N16 -","8","2","","Bamford, Karlee L.; Longobardi, Lauren E.; Liu, Lei; Grimme, Stefan; Stephan, Douglas W.","FLP reduction and hydroboration of phenanthrene o-iminoquinones and α-diimines.","Dalton transactions (Cambridge, England : 2003)","2017","46","16","5308","5319","10.1039/c7dt01024a","","","0.71073","MoKα","","0.2337","0.0834","","","0.1536","0.2149","","","","","","1","","","","has coordinates","196242","2020-10-21","18:00:00",""
"7042899","17.968","0.003","22.919","0.004","16.083","0.003","90","","122.027","0.007","90","","5615.1","1.8","150","2","150","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C34 H17 B F10 N O -","- C34 H17 B F10 N O -","- C272 H136 B8 F80 N8 O8 -","8","1","","Bamford, Karlee L.; Longobardi, Lauren E.; Liu, Lei; Grimme, Stefan; Stephan, Douglas W.","FLP reduction and hydroboration of phenanthrene o-iminoquinones and α-diimines.","Dalton transactions (Cambridge, England : 2003)","2017","46","16","5308","5319","10.1039/c7dt01024a","","","0.71073","MoKα","","0.0961","0.0421","","","0.1026","0.1465","","","","","","1.052","","","","has coordinates","196242","2020-10-21","18:00:00",""
"7042900","7.935","0.0009","9.8367","0.0011","20.542","0.002","90","","97.585","0.005","90","","1589.4","0.3","150","2","150","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C22 H19 N O -","- C22 H19 N O -","- C88 H76 N4 O4 -","4","1","","Bamford, Karlee L.; Longobardi, Lauren E.; Liu, Lei; Grimme, Stefan; Stephan, Douglas W.","FLP reduction and hydroboration of phenanthrene o-iminoquinones and α-diimines.","Dalton transactions (Cambridge, England : 2003)","2017","46","16","5308","5319","10.1039/c7dt01024a","","","0.71073","MoKα","","0.0824","0.047","","","0.1118","0.1307","","","","","","1.02","","","","has coordinates","196242","2020-10-21","18:00:00",""
"7042901","9.508","0.004","21.381","0.008","15.841","0.006","90","","90","","90","","3220","2","150","2","150","2","","","","","","","","5","P b c n","-P 2n 2ab","60","","","","- C40 H22 B F10 N2 -","- C40 H22 B F10 N2 -","- C160 H88 B4 F40 N8 -","4","0.5","","Bamford, Karlee L.; Longobardi, Lauren E.; Liu, Lei; Grimme, Stefan; Stephan, Douglas W.","FLP reduction and hydroboration of phenanthrene o-iminoquinones and α-diimines.","Dalton transactions (Cambridge, England : 2003)","2017","46","16","5308","5319","10.1039/c7dt01024a","","","0.71073","MoKα","","0.1317","0.0578","","","0.135","0.1971","","","","","","1.056","","","","has coordinates","196242","2020-10-21","18:00:00",""
"7042902","9.7684","0.0015","14.767","0.003","19.986","0.004","90","","103.712","0.006","90","","2800.8","0.9","150","2","150","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C34 H18 B F10 N O -","- C34 H18 B F10 N O -","- C136 H72 B4 F40 N4 O4 -","4","1","","Bamford, Karlee L.; Longobardi, Lauren E.; Liu, Lei; Grimme, Stefan; Stephan, Douglas W.","FLP reduction and hydroboration of phenanthrene o-iminoquinones and α-diimines.","Dalton transactions (Cambridge, England : 2003)","2017","46","16","5308","5319","10.1039/c7dt01024a","","","0.71073","MoKα","","0.1345","0.0542","","","0.1131","0.1546","","","","","","1.003","","","","has coordinates","196242","2020-10-21","18:00:00",""
"7042903","50.971","0.013","17.609","0.004","18.424","0.005","90","","104.812","0.015","90","","15987","7","150","2","150","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C49 H35 B F10 N2 -","- C49 H35 B F10 N2 -","- C784 H560 B16 F160 N32 -","16","2","","Bamford, Karlee L.; Longobardi, Lauren E.; Liu, Lei; Grimme, Stefan; Stephan, Douglas W.","FLP reduction and hydroboration of phenanthrene o-iminoquinones and α-diimines.","Dalton transactions (Cambridge, England : 2003)","2017","46","16","5308","5319","10.1039/c7dt01024a","","","0.71073","MoKα","","0.1574","0.057","","","0.1374","0.1891","","","","","","0.967","","","","has coordinates,has disorder","196242","2020-10-21","18:00:00",""
"7042904","10.3922","0.0019","19.522","0.003","39.998","0.006","90","","90","","90","","8115","2","150","2","150","2","","","","","","","","5","P b c n","-P 2n 2ab","60","","","","- C34 H22 B F5 N2 -","- C34 H22 B F5 N2 -","- C408 H264 B12 F60 N24 -","12","1.5","","Bamford, Karlee L.; Longobardi, Lauren E.; Liu, Lei; Grimme, Stefan; Stephan, Douglas W.","FLP reduction and hydroboration of phenanthrene o-iminoquinones and α-diimines.","Dalton transactions (Cambridge, England : 2003)","2017","46","16","5308","5319","10.1039/c7dt01024a","","","0.71073","MoKα","","0.1276","0.0544","","","0.1031","0.1306","","","","","","1.014","","","","has coordinates","196242","2020-10-21","18:00:00",""
"7042905","6.4423","0.0002","10.0534","0.0003","11.5378","0.0003","74.949","0.001","80","0.001","71.428","0.001","680.67","0.03","150","","150","","","","","","","","","5","P -1","-P 1","2","","","","- C28 H26 N4 Pt S4 -","- C28 H26 N4 Pt S4 -","- C28 H26 N4 Pt S4 -","1","0.5","","Poirier, Stéphanie; Rahmani, Feriel; Reber, Christian","Large d-d luminescence energy variations in square-planar bis(dithiocarbamate) platinum(ii) and palladium(ii) complexes with near-identical MS4 motifs: a variable-pressure study.","Dalton transactions (Cambridge, England : 2003)","2017","46","16","5279","5287","10.1039/c7dt00545h","","x-ray","1.34139","GaKα","","0.0283","0.0281","","","0.0672","0.0673","","","","","","1.168","","","","has coordinates","196243","2020-10-21","18:00:00",""
"7042906","6.4927","0.0015","10.115","0.003","11.568","0.003","75.52","0.014","79.62","0.013","72.223","0.013","696","0.3","295","","295","","","","","","","","","5","P -1","-P 1","2","","","","- C28 H26 N4 Pt S4 -","- C28 H26 N4 Pt S4 -","- C28 H26 N4 Pt S4 -","1","0.5","","Poirier, Stéphanie; Rahmani, Feriel; Reber, Christian","Large d-d luminescence energy variations in square-planar bis(dithiocarbamate) platinum(ii) and palladium(ii) complexes with near-identical MS4 motifs: a variable-pressure study.","Dalton transactions (Cambridge, England : 2003)","2017","46","16","5279","5287","10.1039/c7dt00545h","","x-ray","1.34139","GaKα","","0.0421","0.0407","","","0.1048","0.1063","","","","","","1.065","","","","has coordinates","196243","2020-10-21","18:00:00",""
"7042907","14.9255","0.0007","14.9255","0.0007","15.314","0.0007","90","","90","","90","","3411.5","0.3","100","","99.99","","","","","","","","","6","I 41/a","-I 4ad","88","","Bis(2-picolylamino)zinc perchlorate","","- C12 H16 Cl2 N4 O8 Zn -","- C12 H16 Cl2 N4 O8 Zn -","- C96 H128 Cl16 N32 O64 Zn8 -","8","","","Reddy, Andrew; Sangenito, Leandro Stefano; Guedes, Arthur de Azevedo; Branquinha, Marta Helena; Kavanagh, Kevin; McGinley, John; Dos Santos, André Luis Souza; Velasco-Torrijos, Trinidad","Glycosylated metal chelators as anti-parasitic agents with tunable selectivity.","Dalton transactions (Cambridge, England : 2003)","2017","46","16","5297","5307","10.1039/c6dt04615k","","x-ray","0.71073","MoKα","","0.0606","0.05","","","0.0984","0.1018","","","","","","1.28","","","","has coordinates,has disorder","196244","2020-10-21","18:00:00",""
"7042908","5.3704","0.0002","20.052","0.0005","12.499","0.0004","90","","100.513","0.0015","90","","1323.39","0.07","100","","99.99","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","5-(2-hydroxyethoxy)-2-{[(2-methylpyridinyl)-E-imino]methyl}phenol","","- C15 H16 N2 O3 -","- C15 H16 N2 O3 -","- C60 H64 N8 O12 -","4","1","","Reddy, Andrew; Sangenito, Leandro Stefano; Guedes, Arthur de Azevedo; Branquinha, Marta Helena; Kavanagh, Kevin; McGinley, John; Dos Santos, André Luis Souza; Velasco-Torrijos, Trinidad","Glycosylated metal chelators as anti-parasitic agents with tunable selectivity.","Dalton transactions (Cambridge, England : 2003)","2017","46","16","5297","5307","10.1039/c6dt04615k","","","0.71073","MoKα","","0.0774","0.0487","","","0.113","0.1271","","","","","","1.037","","","","has coordinates","196244","2020-10-21","18:00:00",""
"7042909","11.9914","0.0006","12.6755","0.0006","12.696","0.0006","113.998","0.001","96.58","0.001","115.347","0.001","1492.65","0.13","100","2","100","2","","","","","","","","6","P -1","-P 1","2","","Cis-dichloro(N-[4-(hydroxyphenyl)methyl]-2-pyridinemethamino)copper","","- C56 H62 Cl8 Cu4 N10 O4 -","- C56 H62 Cl8 Cu4 N10 O4 -","- C56 H62 Cl8 Cu4 N10 O4 -","1","0.5","","Reddy, Andrew; Sangenito, Leandro Stefano; Guedes, Arthur de Azevedo; Branquinha, Marta Helena; Kavanagh, Kevin; McGinley, John; Dos Santos, André Luis Souza; Velasco-Torrijos, Trinidad","Glycosylated metal chelators as anti-parasitic agents with tunable selectivity.","Dalton transactions (Cambridge, England : 2003)","2017","46","16","5297","5307","10.1039/c6dt04615k","","","0.71073","MoKα","","0.0292","0.0223","","","0.0542","0.0572","","","","","","1.03","","","","has coordinates","196244","2020-10-21","18:00:00",""
"7042910","22.8835","0.0013","5.7669","0.0003","18.6703","0.001","90","","112.598","0.0015","90","","2274.7","0.2","100","2","99.92","","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","4-{[(2-methylpyridinyl)-E-imino]methyl}-benzene-1,3-diol","","- C13 H12 N2 O2 -","- C13 H12 N2 O2 -","- C104 H96 N16 O16 -","8","1","","Reddy, Andrew; Sangenito, Leandro Stefano; Guedes, Arthur de Azevedo; Branquinha, Marta Helena; Kavanagh, Kevin; McGinley, John; Dos Santos, André Luis Souza; Velasco-Torrijos, Trinidad","Glycosylated metal chelators as anti-parasitic agents with tunable selectivity.","Dalton transactions (Cambridge, England : 2003)","2017","46","16","5297","5307","10.1039/c6dt04615k","","","0.71073","MoKα","","0.0529","0.0391","","","0.0949","0.1034","","","","","","1.026","","","","has coordinates","196244","2020-10-21","18:00:00",""
"7042911","9.8788","0.0004","11.1243","0.0004","13.842","0.0006","69.776","0.001","79.719","0.001","64.406","0.001","1286.56","0.09","298","2","298","2","","","","","","","","6","P -1","-P 1","2","Poly{dihydrogenphosphato-tris(mu-1,2-di(4-pyridyl)ethylene)-bis(mu-pyrazole-3,5-dicarboxylato))pentacopper(II)}","","","- C46 H34 Cu5 N10 O16 P2 -","- C46 H34 Cu5 N10 O16 P2 -","- C46 H34 Cu5 N10 O16 P2 -","1","0.5","","Klongdee, Fatima; Boonmak, Jaursup; Youngme, Sujittra","Anion-dependent self-assembly of copper coordination polymers based on pyrazole-3,5-dicarboxylate and 1,2-di(4-pyridyl)ethylene.","Dalton transactions (Cambridge, England : 2003)","2017","46","14","4806","4815","10.1039/c7dt00406k","","","0.71073","MoKα","","0.0728","0.0416","","","0.0801","0.0903","","","","","","1.011","","","","has coordinates,has disorder","196245","2020-10-21","18:00:00",""
"7042912","16.357","0.0007","26.4808","0.0012","21.434","0.0009","90","","93.773","0.001","90","","9263.9","0.7","298","2","298","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","Poly{hexakis(mu-1,2-di(4-pyridyl)ethylene)-tetrakis(mu3-pyrazole-3,5-dicarboxylato)tetracopper(I)tetracopper(II)}","","","- C184 H128 Cu16 N40 O32 -","- C184 H128 Cu16 N40 O32 -","- C368 H256 Cu32 N80 O64 -","2","0.5","","Klongdee, Fatima; Boonmak, Jaursup; Youngme, Sujittra","Anion-dependent self-assembly of copper coordination polymers based on pyrazole-3,5-dicarboxylate and 1,2-di(4-pyridyl)ethylene.","Dalton transactions (Cambridge, England : 2003)","2017","46","14","4806","4815","10.1039/c7dt00406k","","","0.71073","MoKα","","0.1516","0.0634","","","0.1152","0.1417","","","","","","1.003","","","","has coordinates","196245","2020-10-21","18:00:00",""
"7042913","12.7346","0.0009","26.731","0.002","8.4383","0.0006","90","","90","","90","","2872.5","0.4","298","2","298","2","","","","","","","","6","P n m a","-P 2ac 2n","62","Poly{bis(mu-1,2-di(4-pyridyl)ethylene)-mu5-pyrazole-3,5-dicarboxylato)dicopper(II) thiocyanate}","","","- C30 H21 Cu2 N7 O4 S -","- C30 H21 Cu2 N7 O4 S -","- C120 H84 Cu8 N28 O16 S4 -","4","0.5","","Klongdee, Fatima; Boonmak, Jaursup; Youngme, Sujittra","Anion-dependent self-assembly of copper coordination polymers based on pyrazole-3,5-dicarboxylate and 1,2-di(4-pyridyl)ethylene.","Dalton transactions (Cambridge, England : 2003)","2017","46","14","4806","4815","10.1039/c7dt00406k","","","0.71073","MoKα","","0.1394","0.0687","","","0.163","0.1944","","","","","","1.055","","","","has coordinates,has disorder","196245","2020-10-21","18:00:00",""
"7042914","12.4115","0.0007","26.8057","0.0016","8.4121","0.0005","90","","90","","90","","2798.7","0.3","100","2","100","2","","","","","","","","5","P n m a","-P 2ac 2n","62","Poly{bis(mu-1,2-di(4-pyridyl)ethylene)-mu5-pyrazole-3,5-dicarboxylato)dicopper(II) nitrate}","","","- C29 H21 Cu2 N7 O7 -","- C29 H21 Cu2 N7 O7 -","- C116 H84 Cu8 N28 O28 -","4","0.5","","Klongdee, Fatima; Boonmak, Jaursup; Youngme, Sujittra","Anion-dependent self-assembly of copper coordination polymers based on pyrazole-3,5-dicarboxylate and 1,2-di(4-pyridyl)ethylene.","Dalton transactions (Cambridge, England : 2003)","2017","46","14","4806","4815","10.1039/c7dt00406k","","","0.71073","MoKα","","0.081","0.0511","","","0.0926","0.1004","","","","","","1.129","","","","has coordinates,has disorder","196245","2020-10-21","18:00:00",""
"7042915","12.8632","0.0008","26.6997","0.0018","8.4942","0.0006","90","","90","","90","","2917.3","0.3","298","2","298","2","","","","","","","","6","P n m a","-P 2ac 2n","62","Poly{bis(mu-1,2-di(4-pyridyl)ethylene)-mu5-pyrazole-3,5-dicarboxylato)dicopper(II) perchlorate}","","","- C29 H21 Cl Cu2 N6 O8 -","- C29 H21 Cl Cu2 N6 O8 -","- C116 H84 Cl4 Cu8 N24 O32 -","4","0.5","","Klongdee, Fatima; Boonmak, Jaursup; Youngme, Sujittra","Anion-dependent self-assembly of copper coordination polymers based on pyrazole-3,5-dicarboxylate and 1,2-di(4-pyridyl)ethylene.","Dalton transactions (Cambridge, England : 2003)","2017","46","14","4806","4815","10.1039/c7dt00406k","","","0.71073","MoKα","","0.1356","0.0769","","","0.1887","0.2085","","","","","","1.189","","","","has coordinates,has disorder","196245","2020-10-21","18:00:00",""
"7042916","12.7573","0.0006","26.7175","0.0013","8.4773","0.0003","90","","90","","90","","2889.4","0.2","298","2","298","2","","","","","","","","7","P n m a","-P 2ac 2n","62","Poly{bis(mu-1,2-di(4-pyridyl)ethylene)-mu5-pyrazole-3,5-dicarboxylato)dicopper(II) tetrafluoroborate}","","","- C29 H21 B Cu2 F4 N6 O4 -","- C29 H21 B Cu2 F4 N6 O4 -","- C116 H84 B4 Cu8 F16 N24 O16 -","4","0.5","","Klongdee, Fatima; Boonmak, Jaursup; Youngme, Sujittra","Anion-dependent self-assembly of copper coordination polymers based on pyrazole-3,5-dicarboxylate and 1,2-di(4-pyridyl)ethylene.","Dalton transactions (Cambridge, England : 2003)","2017","46","14","4806","4815","10.1039/c7dt00406k","","","0.71073","MoKα","","0.1487","0.0697","","","0.1352","0.1589","","","","","","1.061","","","","has coordinates,has disorder","196245","2020-10-21","18:00:00",""
"7042917","11.324","0.003","17.756","0.004","7.1389","0.0017","90","","118.871","0.002","90","","1257","0.5","223","2","223","2","","","","","","","","4","C 1 c 1","C -2yc","9","[Tb(BTC)(H2O)6]","[Tb(BTC)(H2O)6]","","- C9 H15 O12 Tb -","- C9 H15 O12 Tb -","- C36 H60 O48 Tb4 -","4","1","","Honjo, Masayuki; Koshiyama, Tomomi; Fukunaga, Yumi; Tsuji, Yasuhiro; Tanaka, Motoki; Ohba, Masaaki","Sensing of Fluoride Ions in Aqueous Media using a Luminescent Coordination Polymer and Liposome Composite","Dalton Trans.","2017","","","","","10.1039/C7DT01071K","","","0.71073","MoKα","","0.0305","0.0263","","","0.0575","0.0591","","","","","","0.994","","","","has coordinates","196550","2020-10-21","18:00:00",""
"7042918","12.2603","0.0004","12.8921","0.0004","23.0008","0.0008","76.203","0.003","84.493","0.003","88.665","0.003","3514.3","0.2","223","2","223","2","","","","","","","","5","P -1","-P 1","2","","","","- C68 H82 N4 Ni4 O15 -","- C68 H82 N4 Ni4 O15 -","- C136 H164 N8 Ni8 O30 -","2","1","","Yuan, Yan-Qiu; Yuan, Feng-Ling; Li, Fei-Long; Hao, Zhi-Min; Guo, Jun; Young, David James; Zhang, Wen-Hua; Lang, Jian-Ping","Cuboidal [Ni4O4] cluster as a precursor to recyclable, carbon-supported nickel nanoparticle reduction catalysts","Dalton Trans.","2017","","","","","10.1039/C7DT01579H","","","0.71073","MoKα","","0.0952","0.0624","","","0.1638","0.1875","","","","","","1.071","","","","has coordinates,has disorder","196568","2020-10-21","18:00:00",""
"7042919","30.848","0.004","16.941","0.002","33.157","0.004","90","","104.778","0.003","90","","16755","4","150","2","150","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C72 H96 Cl4 N4 Ni4 O8 -","- C72 H96 Cl4 N4 Ni4 O8 -","- C576 H768 Cl32 N32 Ni32 O64 -","8","1","","Yuan, Yan-Qiu; Yuan, Feng-Ling; Li, Fei-Long; Hao, Zhi-Min; Guo, Jun; Young, David James; Zhang, Wen-Hua; Lang, Jian-Ping","Cuboidal [Ni4O4] cluster as a precursor to recyclable, carbon-supported nickel nanoparticle reduction catalysts","Dalton Trans.","2017","","","","","10.1039/C7DT01579H","","","0.71073","MoKα","","0.1312","0.0955","","","0.2224","0.2455","","","","","","1.106","","","","has coordinates,has disorder","196568","2020-10-21","18:00:00",""
"7042920","12.3023","0.0011","16.2603","0.0014","22.3585","0.0018","102.451","0.002","100.521","0.002","109.527","0.002","3955.5","0.6","150","2","150","2","","","","","","","","5","P -1","-P 1","2","","","","- C75 H102 N4 Ni4 O18 -","- C75 H102 N4 Ni4 O18 -","- C150 H204 N8 Ni8 O36 -","2","1","","Yuan, Yan-Qiu; Yuan, Feng-Ling; Li, Fei-Long; Hao, Zhi-Min; Guo, Jun; Young, David James; Zhang, Wen-Hua; Lang, Jian-Ping","Cuboidal [Ni4O4] cluster as a precursor to recyclable, carbon-supported nickel nanoparticle reduction catalysts","Dalton Trans.","2017","","","","","10.1039/C7DT01579H","","","0.71073","MoKα","","0.0619","0.0363","","","0.0777","0.0864","","","","","","1.021","","","","has coordinates","206958","2020-10-21","18:00:00",""
"7042921","27.418","0.003","17.6175","0.0018","30.949","0.003","90","","101.688","0.002","90","","14640","3","150","2","150","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C68 H88 Br4 N4 Ni4 O8 -","- C68 H88 Br4 N4 Ni4 O8 -","- C544 H704 Br32 N32 Ni32 O64 -","8","1","","Yuan, Yan-Qiu; Yuan, Feng-Ling; Li, Fei-Long; Hao, Zhi-Min; Guo, Jun; Young, David James; Zhang, Wen-Hua; Lang, Jian-Ping","Cuboidal [Ni4O4] cluster as a precursor to recyclable, carbon-supported nickel nanoparticle reduction catalysts","Dalton Trans.","2017","","","","","10.1039/C7DT01579H","","","0.71073","MoKα","","0.1604","0.0864","","","0.1882","0.2409","","","","","","1.055","","","","has coordinates,has disorder","196568","2020-10-21","18:00:00",""
"7042922","7.81306","0.0001","12.1722","0.00015","13.10384","0.00016","90","","90","","90","","1246.2","0.03","120","","120","","","","","","","","","6","P n n 2","P 2 -2n","34","","","","- C24 H20 Cl2 Cr2 N4 O6 -","- C24 H20 Cl2 Cr2 N4 O6 -","- C48 H40 Cl4 Cr4 N8 O12 -","2","0.5","","Brechin, Euan K.; Fraser, Hector; Nichol, Gary Stephen; Velmurugan, Gunasekaran; Rajaraman, Gopalan","Magneto-structural correlations in a family of dialkoxo bridged chromium dimers","Dalton Trans.","2017","","","","","10.1039/C7DT01197K","","x-ray","0.71073","MoKα","","0.0225","0.0215","","","0.0522","0.0528","","","","","","1.051","","","","has coordinates","196569","2020-10-21","18:00:00",""
"7042923","16.2418","0.0002","16.2418","0.0002","25.6069","0.0006","90","","90","","90","","6755","0.2","120","","120","","","","","","","","","6","I 41","I 4bw","80","","","","- C32 H32 Cl4 Cr2 N6 O2 -","- C32 H32 Cl4 Cr2 N6 O2 -","- C256 H256 Cl32 Cr16 N48 O16 -","8","1","","Brechin, Euan K.; Fraser, Hector; Nichol, Gary Stephen; Velmurugan, Gunasekaran; Rajaraman, Gopalan","Magneto-structural correlations in a family of dialkoxo bridged chromium dimers","Dalton Trans.","2017","","","","","10.1039/C7DT01197K","","x-ray","1.54178","CuKα","","0.0858","0.0739","","","0.1952","0.2107","","","","","","1.044","","","","has coordinates,has disorder","196569","2020-10-21","18:00:00",""
"7042924","15.4761","0.0003","15.4761","0.0003","12.3453","0.0003","90","","90","","90","","2956.82","0.11","120","","120","","","","","","","","","6","P 42/n b c","-P 4ac 2b","133","","","","- C14 H16 Cl2 Cr N3 O2 -","- C12 H13 Cl2 Cr N2 O2 -","- C96 H104 Cl16 Cr8 N16 O16 -","8","","","Brechin, Euan K.; Fraser, Hector; Nichol, Gary Stephen; Velmurugan, Gunasekaran; Rajaraman, Gopalan","Magneto-structural correlations in a family of dialkoxo bridged chromium dimers","Dalton Trans.","2017","","","","","10.1039/C7DT01197K","","x-ray","0.71073","MoKα","","0.0491","0.0489","","","0.1086","0.1087","","","","","","1.33","","","","has coordinates,has disorder","196569","2020-10-21","18:00:00",""
"7042925","8.2906","0.0003","8.5467","0.0003","10.1679","0.0004","112.4","0.004","101.243","0.003","102.099","0.003","620.48","0.05","120","","120","","","","","","","","","6","P -1","-P 1","2","","","","- C18 H26 Cl4 Cr2 N4 O4 -","- C18 H26 Cl4 Cr2 N4 O4 -","- C18 H26 Cl4 Cr2 N4 O4 -","1","0.5","","Brechin, Euan K.; Fraser, Hector; Nichol, Gary Stephen; Velmurugan, Gunasekaran; Rajaraman, Gopalan","Magneto-structural correlations in a family of dialkoxo bridged chromium dimers","Dalton Trans.","2017","","","","","10.1039/C7DT01197K","","x-ray","1.54184","CuKα","","0.0488","0.0466","","","0.1262","0.1287","","","","","","1.062","","","","has coordinates","196569","2020-10-21","18:00:00",""
"7042926","12.2931","0.0008","21.3092","0.0016","13.2192","0.0008","90","","106.939","0.007","90","","3312.6","0.4","120","","120","","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C28.5 H29 Cr2 N4 O11 -","- C28.5 H24 Cr2 N4 O11 -","- C114 H96 Cr8 N16 O44 -","4","1","","Brechin, Euan K.; Fraser, Hector; Nichol, Gary Stephen; Velmurugan, Gunasekaran; Rajaraman, Gopalan","Magneto-structural correlations in a family of dialkoxo bridged chromium dimers","Dalton Trans.","2017","","","","","10.1039/C7DT01197K","","x-ray","0.71073","MoKα","","0.0979","0.083","","","0.2054","0.2129","","","","","","1.151","","","","has coordinates,has disorder","196569","2020-10-21","18:00:00",""
"7042927","7.8068","0.0002","12.2423","0.0004","13.3916","0.0004","90","","90","","90","","1279.88","0.07","120","","120","","","","","","","","","6","P n n 2","P 2 -2n","34","","","","- C24 H20 Br2 Cr2 N4 O6 -","- C24 H20 Br2 Cr2 N4 O6 -","- C48 H40 Br4 Cr4 N8 O12 -","2","0.5","","Brechin, Euan K.; Fraser, Hector; Nichol, Gary Stephen; Velmurugan, Gunasekaran; Rajaraman, Gopalan","Magneto-structural correlations in a family of dialkoxo bridged chromium dimers","Dalton Trans.","2017","","","","","10.1039/C7DT01197K","","x-ray","0.71073","MoKα","","0.0344","0.0304","","","0.0549","0.057","","","","","","1.066","","","","has coordinates","196569","2020-10-21","18:00:00",""
"7042928","9.7732","0.0004","10.4693","0.0003","14.0067","0.0007","92.473","0.004","99.099","0.004","91.96","0.003","1412.57","0.1","120","","120","","","","","","","","","6","P -1","-P 1","2","","","","- C20 H36 Cl4 Cr2 N2 O6 -","- C20 H36 Cl4 Cr2 N2 O6 -","- C40 H72 Cl8 Cr4 N4 O12 -","2","1","","Brechin, Euan K.; Fraser, Hector; Nichol, Gary Stephen; Velmurugan, Gunasekaran; Rajaraman, Gopalan","Magneto-structural correlations in a family of dialkoxo bridged chromium dimers","Dalton Trans.","2017","","","","","10.1039/C7DT01197K","","x-ray","0.71073","MoKα","","0.0862","0.0728","","","0.1608","0.1652","","","","","","1.266","","","","has coordinates","196569","2020-10-21","18:00:00",""
"7042929","14.29325","0.00019","14.06348","0.00014","14.8511","0.0002","90","","117.396","0.0017","90","","2650.46","0.07","120","","120","","","","","","","","","6","P 1 2/c 1","-P 2yc","13","","","","- C24 H26 Cl4 Cr2 N4 O2 -","- C24 H26 Cl4 Cr2 N4 O2 -","- C96 H104 Cl16 Cr8 N16 O8 -","4","1","","Brechin, Euan K.; Fraser, Hector; Nichol, Gary Stephen; Velmurugan, Gunasekaran; Rajaraman, Gopalan","Magneto-structural correlations in a family of dialkoxo bridged chromium dimers","Dalton Trans.","2017","","","","","10.1039/C7DT01197K","","x-ray","1.54178","CuKα","","0.0455","0.0428","","","0.1198","0.1227","","","","","","1.038","","","","has coordinates","196569","2020-10-21","18:00:00",""
"7042930","13.3","0.003","18.907","0.004","19.051","0.004","90","","90","","90","","4790.6","1.8","150","2","150","","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C87 H104 Cl4 Cu2 N15 O24 -","- C87 H104 Cl4 Cu2 N15 O24 -","- C174 H208 Cl8 Cu4 N30 O48 -","2","0.5","","Ghosh, Pradyut; Nandi, Mandira; Santra, Saikat; Akhuli, Bidyut","Threading of various ‘U’ shaped bidentate axles into a heteroditopic macrocyclic wheel via NiII/ CuII templation","Dalton Trans.","2017","","","","","10.1039/C7DT00699C","","","0.71073","MoKα","","0.0556","0.049","","","0.1178","0.1215","","","","","","1.079","","","","has coordinates,has disorder","196570","2020-10-21","18:00:00",""
"7042931","12.872","0.006","16.09","0.007","28.825","0.012","90","","95.239","0.011","90","","5945","5","150","2","150","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C53 H68 Cu F12 N11 O7 P2 -","- C53 H64 Cu F12 N11 O7 P2 -","- C212 H256 Cu4 F48 N44 O28 P8 -","4","1","","Ghosh, Pradyut; Nandi, Mandira; Santra, Saikat; Akhuli, Bidyut","Threading of various ‘U’ shaped bidentate axles into a heteroditopic macrocyclic wheel via NiII/ CuII templation","Dalton Trans.","2017","","","","","10.1039/C7DT00699C","","","0.71073","MoKα","","0.09","0.078","","","0.1899","0.1989","","","","","","1.06","","","","has coordinates","196570","2020-10-21","18:00:00",""
"7042932","11.0692","0.0017","14.524","0.002","18.154","0.003","88.317","0.002","73.458","0.002","89.479","0.002","2796.6","0.7","150","2","150","","","","","","","","","7","P -1","-P 1","2","","","","- C50 H62 Br2 Cl2 Cu N8 O18 -","- C50 H62 Br2 Cl2 Cu N8 O17.9999 -","- C100 H124 Br4 Cl4 Cu2 N16 O35.9998 -","2","1","","Ghosh, Pradyut; Nandi, Mandira; Santra, Saikat; Akhuli, Bidyut","Threading of various ‘U’ shaped bidentate axles into a heteroditopic macrocyclic wheel via NiII/ CuII templation","Dalton Trans.","2017","","","","","10.1039/C7DT00699C","","","0.71073","MoKα","","0.0814","0.0655","","","0.1628","0.1746","","","","","","1.024","","","","has coordinates,has disorder","196570","2020-10-21","18:00:00",""
"7042933","17.5772","0.0009","17.6464","0.0008","28.8773","0.0013","86.341","0.006","83.48","0.006","86.361","0.006","8866.6","0.7","100","2","100","2","","","","","","","","6","P -1","-P 1","2","","","","- C134 H168 Fe9 N72 O14 Re6 -","- C134 H168 Fe9 N72 O14 Re6 -","- C268 H336 Fe18 N144 O28 Re12 -","2","1","","Chorazy, Szymon; Jan Stanek, Jan; Kobylarczyk, Jedrzej; Ohkoshi, Shin-ichi; Sieklucka, Barbara; Podgajny, Robert","Modulation of FeII spin crossover effect in the pentadecanuclear {Fe9[M(CN)8]6} (M = Re, W) clusters by facial coordination of tridentate polyamine ligand","Dalton Trans.","2017","","","","","10.1039/C7DT01416C","","x-ray","0.71075","MoKα","","0.2841","0.207","","","0.3348","0.3702","","","","","","1.27","","","","has coordinates,has disorder","196606","2020-10-21","18:00:00",""
"7042934","17.4977","0.0004","17.5419","0.0004","29.9576","0.0006","86.401","0.006","81.268","0.006","86.248","0.006","9056.2","0.4","100","2","100","2","","","","","","","","6","P -1","-P 1","2","","","","- C134 H168 Fe9 N72 O14 W6 -","- C134 H168 Fe9 N72 O14 W6 -","- C268 H336 Fe18 N144 O28 W12 -","2","1","","Chorazy, Szymon; Jan Stanek, Jan; Kobylarczyk, Jedrzej; Ohkoshi, Shin-ichi; Sieklucka, Barbara; Podgajny, Robert","Modulation of FeII spin crossover effect in the pentadecanuclear {Fe9[M(CN)8]6} (M = Re, W) clusters by facial coordination of tridentate polyamine ligand","Dalton Trans.","2017","","","","","10.1039/C7DT01416C","","x-ray","0.71075","MoKα","","0.0961","0.0714","","","0.1499","0.1587","","","","","","1.177","","","","has coordinates","196606","2020-10-21","18:00:00",""
"7042935","17.7888","0.001","17.8583","0.0009","29.801","0.0015","86.306","0.006","81.543","0.006","86.298","0.006","9330.2","0.9","240","2","240","2","","","","","","","","6","P -1","-P 1","2","","","","- C134 H168 Fe9 N72 O14 Re6 -","- C134 H168 Fe9 N72 O14 Re6 -","- C268 H336 Fe18 N144 O28 Re12 -","2","1","","Chorazy, Szymon; Jan Stanek, Jan; Kobylarczyk, Jedrzej; Ohkoshi, Shin-ichi; Sieklucka, Barbara; Podgajny, Robert","Modulation of FeII spin crossover effect in the pentadecanuclear {Fe9[M(CN)8]6} (M = Re, W) clusters by facial coordination of tridentate polyamine ligand","Dalton Trans.","2017","","","","","10.1039/C7DT01416C","","x-ray","0.71075","MoKα","","0.2736","0.1697","","","0.2577","0.2998","","","","","","1.206","","","","has coordinates,has disorder","196606","2020-10-21","18:00:00",""
"7042936","17.7127","0.0004","17.7306","0.0005","30.4366","0.0008","86.279","0.006","80.322","0.006","86.23","0.006","9388.3","0.5","240","2","240","2","","","","","","","","6","P -1","-P 1","2","","","","- C134 H168 Fe9 N72 O14 W6 -","- C134 H168 Fe9 N72 O14 W6 -","- C268 H336 Fe18 N144 O28 W12 -","2","1","","Chorazy, Szymon; Jan Stanek, Jan; Kobylarczyk, Jedrzej; Ohkoshi, Shin-ichi; Sieklucka, Barbara; Podgajny, Robert","Modulation of FeII spin crossover effect in the pentadecanuclear {Fe9[M(CN)8]6} (M = Re, W) clusters by facial coordination of tridentate polyamine ligand","Dalton Trans.","2017","","","","","10.1039/C7DT01416C","","x-ray","0.71075","MoKα","","0.1067","0.0699","","","0.1276","0.1388","","","","","","1.144","","","","has coordinates","196606","2020-10-21","18:00:00",""
"7042937","13.146","0.005","13.54","0.005","17.464","0.005","90","","92.635","0.005","90","","3105.3","1.9","296","2","296.15","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C19 H24 Cd N7 O13 -","- C19 H12 Cd N7 O7 -","- C76 H48 Cd4 N28 O28 -","4","1","","Yang, Liu; Cao, Li; Li, Xiao; Qin, Chao; Zhao, Liang; Shao, Kui-Zhan; Su, Zhong-Min","Metal‒organic frameworks constructed from tib and carboxylate acid ligands: selective sensing of nitro explosives and magnetic properties","Dalton Trans.","2017","","","","","10.1039/C7DT01306J","","","0.71069","MoKα","","0.0499","0.0373","","","0.0964","0.1021","","","","","","1.051","","","","has coordinates,has disorder","196607","2020-10-21","18:00:00",""
"7042938","15.214","0.005","17.476","0.005","24.498","0.005","90","","90","","90","","6514","3","296","2","296.15","","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C49.5 H48.5 Cd2 N9.5 O13.5 -","- C42 H27 Cd2 N6 O8 -","- C168 H108 Cd8 N24 O32 -","4","1","","Yang, Liu; Cao, Li; Li, Xiao; Qin, Chao; Zhao, Liang; Shao, Kui-Zhan; Su, Zhong-Min","Metal‒organic frameworks constructed from tib and carboxylate acid ligands: selective sensing of nitro explosives and magnetic properties","Dalton Trans.","2017","","","","","10.1039/C7DT01306J","","","0.71069","MoKα","","0.0438","0.0372","","","0.0854","0.0878","","","","","","0.985","","","","has coordinates","196607","2020-10-21","18:00:00",""
"7042939","13.106","0.005","15.887","0.005","13.613","0.005","90","","92.166","0.005","90","","2832.4","1.7","296","2","293.15","","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C54 H44 Cu3 N14 O18 -","- C54 H40 Cu3 N14 O18 -","- C108 H80 Cu6 N28 O36 -","2","0.5","","Yang, Liu; Cao, Li; Li, Xiao; Qin, Chao; Zhao, Liang; Shao, Kui-Zhan; Su, Zhong-Min","Metal‒organic frameworks constructed from tib and carboxylate acid ligands: selective sensing of nitro explosives and magnetic properties","Dalton Trans.","2017","","","","","10.1039/C7DT01306J","","","0.71069","MoKα","","0.1529","0.1038","","","0.2574","0.293","","","","","","1.054","","","","has coordinates","196607","2020-10-21","18:00:00",""
"7042940","10.537","0.005","24.197","0.005","13.211","0.005","90","","113.406","0.005","90","","3091","2","296","2","296","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C33 H32 Co N8 O6 -","- C27 H18 Co N6 O4 -","- C108 H72 Co4 N24 O16 -","4","1","","Yang, Liu; Cao, Li; Li, Xiao; Qin, Chao; Zhao, Liang; Shao, Kui-Zhan; Su, Zhong-Min","Metal‒organic frameworks constructed from tib and carboxylate acid ligands: selective sensing of nitro explosives and magnetic properties","Dalton Trans.","2017","","","","","10.1039/C7DT01306J","","","0.71069","MoKα","","0.0818","0.0475","","","0.0883","0.0942","","","","","","1.043","","","","has coordinates","196607","2020-10-21","18:00:00",""
"7042941","18.241","0.013","15.645","0.01","14.448","0.011","90","","114.629","0.013","90","","3748","5","293","2","293","2","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C36 H36 K Mo N6 O18 Sb -","- C43 H80 K3 Mo N4 O21 Sb7 -","- C86 H160 K6 Mo2 N8 O42 Sb14 -","2","0.5","","Xu, Li; Ruan, Huapeng; Wang, LuLu; li, zhenyu","Sb102- and Sb22- Found in [K(18-crown-6)]6[Sb10] [Sb4{Mo(CO)3}2]•2en: Two Missing Family Members","Dalton Trans.","2017","","","","","10.1039/C7DT01135K","","","0.71073","MoKα","","0.1259","0.0485","","","0.1184","0.1703","","","","","","0.679","","","","has coordinates","196608","2020-10-21","18:00:00",""
"7042942","10.1507","0.00015","18.9014","0.0006","18.9172","0.0006","117.978","0.003","90.4725","0.0019","91.1512","0.0019","3204.02","0.18","150","","150","","","","","","","","","5","P -1","-P 1","2","","","","- C36 H46 N2 Si V -","- C36 H46 N2 Si V -","- C144 H184 N8 Si4 V4 -","4","2","","Hänninen, Mikko; Baldansuren, Amgalanbaatar; Pugh, Thomas","Structural and electronic elucidation of N-heterocyclic silylene vanadocene adduct","Dalton Trans.","2017","","","","","10.1039/C7DT01226H","","x-ray","0.71073","MoKα","","0.0784","0.0636","","","0.1641","0.1724","","","","","","1.089","","","","has coordinates","196609","2020-10-21","18:00:00",""
"7042943","6.849","0.003","7.162","0.003","7.525","0.003","90","","114.961","0.005","90","","334.6","0.2","296","2","296","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C Li O3 Rb -","- C Li O3 Rb -","- C4 Li4 O12 Rb4 -","4","1","","Liu, Qiong; Li, Zhi; Wang, Ying; Su, Xin; Yang, Zhihua; Pan, Shilie","LiMCO3 (M = K, Rb, Cs): a series of mixed alkali carbonates with large birefringence.","Dalton transactions (Cambridge, England : 2003)","2017","","","","","10.1039/c7dt00270j","","","0.71073","MoKα","","0.0251","0.0203","","","0.0512","0.0525","","","","","","1.1","","","","has coordinates","196718","2020-10-21","18:00:00",""
"7042944","7.257","0.008","7.173","0.008","7.866","0.008","90","","115.983","0.01","90","","368.1","0.7","296","2","296","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","LiCsCO3","","","- C Cs Li O3 -","- C Cs Li O3 -","- C4 Cs4 Li4 O12 -","4","1","","Liu, Qiong; Li, Zhi; Wang, Ying; Su, Xin; Yang, Zhihua; Pan, Shilie","LiMCO3 (M = K, Rb, Cs): a series of mixed alkali carbonates with large birefringence.","Dalton transactions (Cambridge, England : 2003)","2017","","","","","10.1039/c7dt00270j","","","0.71073","MoKα","","0.0195","0.0175","","","0.0431","0.0438","","","","","","1.081","","","","has coordinates","196718","2020-10-21","18:00:00",""
"7042945","18.1783","0.0003","17.8683","0.0003","9.802","0.0001","90","","90","","90","","3183.84","0.08","173","2","173","2","","","","","","","","7","P n m a","-P 2ac 2n","62","","","","- C29 H41 B2 F3 N2 O3 S -","- C29 H41 B2 F3 N2 O3 S -","- C116 H164 B8 F12 N8 O12 S4 -","4","0.5","","Hering-Junghans, Christian; Watson, Ian; Ferguson, Michael J.; McDonald, Robert; Rivard, Eric","Organocatalytic hydroborylation promoted by N-heterocyclic olefins","Dalton Trans.","2017","","","","","10.1039/C7DT01303E","","","1.54178","CuKα","","0.0823","0.0759","","","0.2217","0.2293","","","","","","1.057","","","","has coordinates,has disorder","196719","2020-10-21","18:00:00",""
"7042946","10.528","0.0002","21.2551","0.0004","15.0977","0.0003","90","","96.2795","0.0013","90","","3358.2","0.11","173","2","173","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C35 H49.96 B1.96 Ge0.05 N2 -","- C35 H49.955 B1.955 Ge0.045 N2 -","- C140 H199.82 B7.82 Ge0.18 N8 -","4","1","","Hering-Junghans, Christian; Watson, Ian; Ferguson, Michael J.; McDonald, Robert; Rivard, Eric","Organocatalytic hydroborylation promoted by N-heterocyclic olefins","Dalton Trans.","2017","","","","","10.1039/C7DT01303E","","","1.54178","CuKα","","0.0808","0.0598","","","0.16","0.1784","","","","","","1.039","","","","has coordinates,has disorder","196719","2020-10-21","18:00:00",""
"7042947","4.9167","0.0002","8.8988","0.0006","9.4929","0.0006","90","","90","","90","","415.34","0.04","293","2","293","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- Ba Cu F O4 P -","- Ba Cu F O4 P -","- Ba4 Cu4 F4 O16 P4 -","4","1","","Qiu, Chaoqun; He, Zhangzhen; Cui, Meiyan; Chen, Sihuai","Synthesis and magnetic properties of two isostructural fluorophosphates BaMPO4F (M = Cu, Co) with a tunnel structure","Dalton Trans.","2017","","","","","10.1039/C7DT01408B","","","0.71073","MoKα","","0.0255","0.0251","","","0.0645","0.0646","","","","","","1.184","","","","has coordinates","196720","2020-10-21","18:00:00",""
"7042948","9.9175","0.0005","10.0625","0.0004","13.4072","0.0007","107.383","0.002","108.957","0.002","91.213","0.003","1197.2","0.1","296","2","296.15","","","","","","","","","7","P -1","-P 1","2","","","","- C48 H42 Cl2 K N3 O12 Pb2 -","- C48 H42 Cl2 K N3 O12 Pb2 -","- C48 H42 Cl2 K N3 O12 Pb2 -","1","0.5","","Gong, Yun-Nan; Wei, Xue-Wen; He, Lv-Heng; Wen, Ya-Qiong; Ren, Ya-Wen; Xie, Yong-Rong; Zhong, Di-Chang","Two bilayer metal−organic frameworks with rare trinuclear heterometal clusters and tunable photoluminescence","Dalton Trans.","2017","","","","","10.1039/C7DT01242J","","","0.71073","MoKα","","0.0464","0.0371","","","0.0794","0.0831","","","","","","1.049","","","","has coordinates,has disorder","196721","2020-10-21","18:00:00",""
"7042949","17.546","0.002","21.3217","0.001","35.974","0.002","90","","99.105","0.009","90","","13288.7","1.8","293","2","293","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C106 H110 Cd2 N9 Na O38 -","- C84 H36 Cd2 Na O24 -","- C336 H144 Cd8 Na4 O96 -","4","0.5","","Gong, Yun-Nan; Wei, Xue-Wen; He, Lv-Heng; Wen, Ya-Qiong; Ren, Ya-Wen; Xie, Yong-Rong; Zhong, Di-Chang","Two bilayer metal−organic frameworks with rare trinuclear heterometal clusters and tunable photoluminescence","Dalton Trans.","2017","","","","","10.1039/C7DT01242J","","","1.54178","CuKα","","0.1495","0.1299","","","0.3633","0.3795","","","","","","1.142","","","","has coordinates","196721","2020-10-21","18:00:00",""
"7042950","19.819","0.004","8.7613","0.0018","29.812","0.006","90","","91.69","0.03","90","","5174.3","1.8","100","","100","","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C25 H38 N2 Si Te -","- C25 H38 N2 Si Te -","- C200 H304 N16 Si8 Te8 -","8","2","","Kaufmann, Sebastian; Schäfer, Sebastian; Gamer, Michael T.; Roesky, Peter W.","Reactivity studies of silylene [PhC(NtBu)2](C5Me5)Si - reactions with [M(COD)Cl]2 (M = Rh(i), Ir(i)), S, Se, Te, and BH3.","Dalton transactions (Cambridge, England : 2003)","2017","","","","","10.1039/c7dt00483d","","","0.71073","MoKα","","0.0433","0.0299","","","0.0584","0.0608","","","","","","0.898","","","","has coordinates","196722","2020-10-21","18:00:00",""
"7042951","11.7919","0.0006","15.7103","0.0007","16.4582","0.0008","113.744","0.004","90.039","0.004","111.221","0.004","2563","0.3","210","","210","","","","","","","","","5","P -1","-P 1","2","","","","- C25 H41 B N2 Si -","- C25 H41 B N2 Si -","- C100 H164 B4 N8 Si4 -","4","2","","Kaufmann, Sebastian; Schäfer, Sebastian; Gamer, Michael T.; Roesky, Peter W.","Reactivity studies of silylene [PhC(NtBu)2](C5Me5)Si - reactions with [M(COD)Cl]2 (M = Rh(i), Ir(i)), S, Se, Te, and BH3.","Dalton transactions (Cambridge, England : 2003)","2017","","","","","10.1039/c7dt00483d","","x-ray","0.71073","MoKα","","0.0646","0.0441","","","0.1262","0.1324","","","","","","0.993","","","","has coordinates","196722","2020-10-21","18:00:00",""
"7042952","12.0103","0.0003","12.6524","0.0004","21.1138","0.0005","90","","94.233","0.002","90","","3199.68","0.15","170","","170","","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C33 H50 Cl N2 Rh Si -","- C33 H50 Cl N2 Rh Si -","- C132 H200 Cl4 N8 Rh4 Si4 -","4","1","","Kaufmann, Sebastian; Schäfer, Sebastian; Gamer, Michael T.; Roesky, Peter W.","Reactivity studies of silylene [PhC(NtBu)2](C5Me5)Si - reactions with [M(COD)Cl]2 (M = Rh(i), Ir(i)), S, Se, Te, and BH3.","Dalton transactions (Cambridge, England : 2003)","2017","","","","","10.1039/c7dt00483d","","","0.71073","MoKα","","0.0373","0.0284","","","0.0685","0.0708","","","","","","0.935","","","","has coordinates,has disorder","196722","2020-10-21","18:00:00",""
"7042953","11.9611","0.0005","12.5782","0.0003","21.1334","0.0008","90","","94.076","0.003","90","","3171.46","0.19","110","","110","","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C33 H50 Cl Ir N2 Si -","- C33 H50 Cl Ir N2 Si -","- C132 H200 Cl4 Ir4 N8 Si4 -","4","1","","Kaufmann, Sebastian; Schäfer, Sebastian; Gamer, Michael T.; Roesky, Peter W.","Reactivity studies of silylene [PhC(NtBu)2](C5Me5)Si - reactions with [M(COD)Cl]2 (M = Rh(i), Ir(i)), S, Se, Te, and BH3.","Dalton transactions (Cambridge, England : 2003)","2017","","","","","10.1039/c7dt00483d","","","0.71073","MoKα","","0.0384","0.0224","","","0.0479","0.0505","","","","","","0.886","","","","has coordinates,has disorder","196722","2020-10-21","18:00:00",""
"7042954","9.0839","0.001","11.1221","0.0011","13.3222","0.0015","90.853","0.009","97.883","0.009","111.01","0.008","1241.6","0.2","210","","210","","","","","","","","","5","P -1","-P 1","2","","","","- C25 H38 N2 S Si -","- C25 H38 N2 S Si -","- C50 H76 N4 S2 Si2 -","2","1","","Kaufmann, Sebastian; Schäfer, Sebastian; Gamer, Michael T.; Roesky, Peter W.","Reactivity studies of silylene [PhC(NtBu)2](C5Me5)Si - reactions with [M(COD)Cl]2 (M = Rh(i), Ir(i)), S, Se, Te, and BH3.","Dalton transactions (Cambridge, England : 2003)","2017","","","","","10.1039/c7dt00483d","","","0.71073","MoKα","","0.0642","0.0407","","","0.107","0.1114","","","","","","0.933","","","","has coordinates","196722","2020-10-21","18:00:00",""
"7042955","9.1397","0.0003","11.1309","0.0004","13.2353","0.0005","90.604","0.003","97.098","0.003","110.986","0.003","1245.34","0.08","150","","150","","","","","","","","","5","P -1","-P 1","2","","","","- C25 H38 N2 Se Si -","- C25 H38 N2 Se Si -","- C50 H76 N4 Se2 Si2 -","2","1","","Kaufmann, Sebastian; Schäfer, Sebastian; Gamer, Michael T.; Roesky, Peter W.","Reactivity studies of silylene [PhC(NtBu)2](C5Me5)Si - reactions with [M(COD)Cl]2 (M = Rh(i), Ir(i)), S, Se, Te, and BH3.","Dalton transactions (Cambridge, England : 2003)","2017","","","","","10.1039/c7dt00483d","","","0.71073","MoKα","","0.0339","0.0257","","","0.0703","0.0716","","","","","","1.056","","","","has coordinates","196722","2020-10-21","18:00:00",""
"7042956","31.45","0.0012","7.5523","0.0003","29.4499","0.001","90","","111.954","0.003","90","","6487.7","0.4","100","2","100","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C38.5 H10 Cl F15 N4 Ni -","- C38.5 H10 Cl F15 N4 Ni -","- C308 H80 Cl8 F120 N32 Ni8 -","8","1","","Sasano, Yoshifumi; Yasuda, Nobuhiro; Maeda, Hiromitsu","Deprotonated meso-hydroxyporphyrin as a stable π-electronic anion: the building unit of ion-pairing assembly","Dalton Trans.","2017","","","","","10.1039/C7DT01635B","","","0.78201","Synchrotron","","0.0507","0.04","","","0.0917","0.099","","","","","","1.039","","","","has coordinates","196723","2020-10-21","18:00:00",""
"7042957","7.309","0.003","14.459","0.006","20.126","0.008","72.365","0.005","80.781","0.006","78.319","0.006","1973.8","1.4","100","2","100","2","","","","","","","","6","P -1","-P 1","2","","","","- C44 H21.5 F15 N4 Ni O3 -","- C44 H21.5 F15 N4 Ni O3 -","- C88 H43 F30 N8 Ni2 O6 -","2","1","","Sasano, Yoshifumi; Yasuda, Nobuhiro; Maeda, Hiromitsu","Deprotonated meso-hydroxyporphyrin as a stable π-electronic anion: the building unit of ion-pairing assembly","Dalton Trans.","2017","","","","","10.1039/C7DT01635B","","","0.7006","synchrotron","","0.2688","0.1424","","","0.3412","0.4202","","","","","","1.072","","","","has coordinates,has disorder","196723","2020-10-21","18:00:00",""
"7042958","22.0408","0.0014","16.8646","0.0012","27.985","0.002","90","","90","","90","","10402.3","1.2","93","2","93","2","","","","","","","","7","P b c a","-P 2ac 2ab","61","","","","- C55 H46 Cl2 F15 N5 Ni O -","- C55 H46 Cl2 F15 N5 Ni O -","- C440 H368 Cl16 F120 N40 Ni8 O8 -","8","1","","Sasano, Yoshifumi; Yasuda, Nobuhiro; Maeda, Hiromitsu","Deprotonated meso-hydroxyporphyrin as a stable π-electronic anion: the building unit of ion-pairing assembly","Dalton Trans.","2017","","","","","10.1039/C7DT01635B","","","1.54187","CuKα","","0.058","0.0504","","","0.1414","0.1497","","","","","","1.032","","","","has coordinates,has disorder","196723","2020-10-21","18:00:00",""
"7042959","12.8678","0.0014","6.4849","0.0007","33.243","0.004","90","","94.281","0.002","90","","2766.3","0.5","130","","130","","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C8 H12 N14 O3 -","- C8 H12 N14 O3 -","- C64 H96 N112 O24 -","8","1","","Ma, Qing; Chen, Ya; Liao, Longyu; Lu, Huanchang; Fan, Guijuan; Huang, Jinglun","Energetic π-conjugated vinyl bridged triazoles: a thermally stable and insensitive heterocyclic cation","Dalton Trans.","2017","","","","","10.1039/C7DT01261F","","","0.71073","MoKα","","0.0665","0.0531","","","0.1312","0.1393","","","","","","1.053","","","","has coordinates","196724","2020-10-21","18:00:00",""
"7042960","6.413","0.002","10.1729","0.0013","10.5386","0.0013","117.773","0.002","100.209","0.003","97.012","0.003","581.9","0.2","130","","130","","","","","","","","","4","P -1","-P 1","2","","","","- C12 H20 N18 O11 -","- C12 H20 N18 O11 -","- C12 H20 N18 O11 -","1","0.5","","Ma, Qing; Chen, Ya; Liao, Longyu; Lu, Huanchang; Fan, Guijuan; Huang, Jinglun","Energetic π-conjugated vinyl bridged triazoles: a thermally stable and insensitive heterocyclic cation","Dalton Trans.","2017","","","","","10.1039/C7DT01261F","","","0.71073","MoKα","","0.0462","0.0388","","","0.1012","0.1069","","","","","","1.053","","","","has coordinates,has disorder","196724","2020-10-21","18:00:00",""
"7042961","12.2856","0.0007","12.2856","0.0007","40.49","0.004","90","","90","","90","","6111.4","0.8","130","","130","","","","","","","","","5","I 41/a c d","-I 4bd 2c","142","","","","- C6 H12 Cl2 N10 O8 -","- C6 H12 Cl2 N10 O8 -","- C96 H192 Cl32 N160 O128 -","16","","","Ma, Qing; Chen, Ya; Liao, Longyu; Lu, Huanchang; Fan, Guijuan; Huang, Jinglun","Energetic π-conjugated vinyl bridged triazoles: a thermally stable and insensitive heterocyclic cation","Dalton Trans.","2017","","","","","10.1039/C7DT01261F","","","0.71073","MoKα","","0.0473","0.0338","","","0.084","0.0923","","","","","","1.053","","","","has coordinates","196724","2020-10-21","18:00:00",""
"7042962","13.4466","0.0013","5.9301","0.0006","15.0419","0.0016","90","","97.917","0.004","90","","1188","0.2","173","2","173","2","","","","","","","","4","P 1 2/n 1","-P 2yac","13","","","","- C12 H12 N20 O12 -","- C12 H12 N20 O12 -","- C24 H24 N40 O24 -","2","0.5","","Ma, Qing; Chen, Ya; Liao, Longyu; Lu, Huanchang; Fan, Guijuan; Huang, Jinglun","Energetic π-conjugated vinyl bridged triazoles: a thermally stable and insensitive heterocyclic cation","Dalton Trans.","2017","","","","","10.1039/C7DT01261F","","","0.71073","MoKα","","0.0805","0.0383","","","0.0808","0.0935","","","","","","1.051","","","","has coordinates","196724","2020-10-21","18:00:00",""
"7042963","6.4108","0.0006","13.4566","0.0014","14.2343","0.0011","90","","98.654","0.003","90","","1213.98","0.19","173","2","173","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C6 H12 N10 O4 S -","- C6 H12 N10 O4 S -","- C24 H48 N40 O16 S4 -","4","1","","Ma, Qing; Chen, Ya; Liao, Longyu; Lu, Huanchang; Fan, Guijuan; Huang, Jinglun","Energetic π-conjugated vinyl bridged triazoles: a thermally stable and insensitive heterocyclic cation","Dalton Trans.","2017","","","","","10.1039/C7DT01261F","","","0.71073","MoKα","","0.0703","0.038","","","0.0841","0.0952","","","","","","1.014","","","","has coordinates","196724","2020-10-21","18:00:00",""
"7042964","5.755","0.002","8.863","0.004","9.154","0.004","77.761","0.007","80.303","0.007","78.757","0.007","443.6","0.3","130","","130","","","","","","","","","4","P -1","-P 1","2","","","","- C8 H16 N20 O2 -","- C8 H16 N20 O2 -","- C8 H16 N20 O2 -","1","0.5","","Ma, Qing; Chen, Ya; Liao, Longyu; Lu, Huanchang; Fan, Guijuan; Huang, Jinglun","Energetic π-conjugated vinyl bridged triazoles: a thermally stable and insensitive heterocyclic cation","Dalton Trans.","2017","","","","","10.1039/C7DT01261F","","","0.71073","MoKα","","0.0807","0.0494","","","0.1189","0.1373","","","","","","0.962","","","","has coordinates","196724","2020-10-21","18:00:00",""
"7042965","11.2505","0.0007","5.1854","0.0003","23.7693","0.0012","90","","101.493","0.005","90","","1358.86","0.14","296","","296","","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C18 H16 N16 O18 -","- C18 H16 N16 O18 -","- C36 H32 N32 O36 -","2","0.5","","Ma, Qing; Chen, Ya; Liao, Longyu; Lu, Huanchang; Fan, Guijuan; Huang, Jinglun","Energetic π-conjugated vinyl bridged triazoles: a thermally stable and insensitive heterocyclic cation","Dalton Trans.","2017","","","","","10.1039/C7DT01261F","","","1.54178","CuKα","","0.1256","0.0846","","","0.2307","0.2706","","","","","","1.047","","","","has coordinates","196724","2020-10-21","18:00:00",""
"7042966","6.804","0.002","8.943","0.003","21.067","0.007","90","","92.639","0.006","90","","1280.5","0.7","130","","130","","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C18 H16 N16 O14 -","- C18 H16 N16 O14 -","- C36 H32 N32 O28 -","2","0.5","","Ma, Qing; Chen, Ya; Liao, Longyu; Lu, Huanchang; Fan, Guijuan; Huang, Jinglun","Energetic π-conjugated vinyl bridged triazoles: a thermally stable and insensitive heterocyclic cation","Dalton Trans.","2017","","","","","10.1039/C7DT01261F","","","0.71073","MoKα","","0.1935","0.0747","","","0.157","0.213","","","","","","0.92","","","","has coordinates","196724","2020-10-21","18:00:00",""
"7042967","15.095","0.003","6.7677","0.0012","13.289","0.002","90","","90","","90","","1357.6","0.4","296","2","296.15","","","","","","","","","4","P b c n","-P 2n 2ab","60","","","","- C6 H12 N12 O6 -","- C6 H12 N12 O6 -","- C24 H48 N48 O24 -","4","0.5","","Ma, Qing; Chen, Ya; Liao, Longyu; Lu, Huanchang; Fan, Guijuan; Huang, Jinglun","Energetic π-conjugated vinyl bridged triazoles: a thermally stable and insensitive heterocyclic cation","Dalton Trans.","2017","","","","","10.1039/C7DT01261F","","","0.71073","MoKα","","0.062","0.0427","","","0.1141","0.1277","","","","","","1.037","","","","has coordinates","196724","2020-10-21","18:00:00",""
"7042968","20.3943","0.0003","19.343","0.0002","28.449","0.0004","90","","110.479","0.0006","90","","10513.5","0.2","123","2","123","2","","","","","","","","7","P 1 21 1","P 2yb","4","","","","- C137 H294 Bi2 N11 O73 Si2 W20 -","- C137 H294 Bi2 N11 O73 Si2 W20 -","- C274 H588 Bi4 N22 O146 Si4 W40 -","2","1","","Hanaya, Takumi; Suzuki, Kosuke; Sato, Rinta; Yamaguchi, Kazuya; Mizuno, Noritaka","Creation of bismuth‒tungsten oxide nanoclusters using lacunary polyoxometalates","Dalton Trans.","2017","","","","","10.1039/C7DT01587A","","","0.71069","MoKα","","0.0534","0.0455","","","0.1168","0.1248","","","","","","1.058","","","","has coordinates","196725","2020-10-21","18:00:00",""
"7042969","21.9888","0.0001","26.3027","0.0002","34.9296","0.0002","90","","100.928","0.0004","90","","19835.7","0.2","123","2","123","2","","","","","","","","8","P 1 21/n 1","-P 2yn","14","","","","- C124 H273 Bi2 Cl10 N7 O69 Si2 W18 -","- C124 H273 Bi2 Cl10 N7 O69 Si2 W18 -","- C496 H1092 Bi8 Cl40 N28 O276 Si8 W72 -","4","1","","Hanaya, Takumi; Suzuki, Kosuke; Sato, Rinta; Yamaguchi, Kazuya; Mizuno, Noritaka","Creation of bismuth‒tungsten oxide nanoclusters using lacunary polyoxometalates","Dalton Trans.","2017","","","","","10.1039/C7DT01587A","","","0.71069","MoKα","","0.1027","0.0691","","","0.1593","0.1797","","","","","","1.081","","","","has coordinates","196725","2020-10-21","18:00:00",""
"7042970","30.8709","0.0002","33.9407","0.0003","19.3936","0.0001","90","","90","","90","","20320.2","0.2","153","2","153","2","","","","","","","","7","P c a 21","P 2c -2ac","29","","","","- C114 H255 Bi4 N7 O75 Si2 W20 -","- C2 H3 Bi4 O75 Si2 W20 -","- C8 H12 Bi16 O300 Si8 W80 -","4","1","","Hanaya, Takumi; Suzuki, Kosuke; Sato, Rinta; Yamaguchi, Kazuya; Mizuno, Noritaka","Creation of bismuth‒tungsten oxide nanoclusters using lacunary polyoxometalates","Dalton Trans.","2017","","","","","10.1039/C7DT01587A","","","0.71069","MoKα","","0.0251","0.024","","","0.0781","0.0785","","","","","","1.065","","","","has coordinates","196725","2020-10-21","18:00:00",""
"7042971","18.461","0.005","20.588","0.005","19.118","0.005","90","","110.389","0.004","90","","6811","3","90","2","90","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C60 H93 Cl3 In2 N4 O3 -","- C60 H93 Cl3 In2 N4 O3 -","- C240 H372 Cl12 In8 N16 O12 -","4","1","","Chile, L.-E.; Ebrahimi, T.; Wong, A.; Aluthge, D. C.; Hatzikiriakos, S. G.; Mehrkhodavandi, P.","Impact of aryloxy initiators on the living and immortal polymerization of lactide.","Dalton transactions (Cambridge, England : 2003)","2017","","","","","10.1039/c7dt00990a","","x-ray","0.71073","MoKα","","0.1846","0.0882","","","0.2034","0.2556","","","","","","1.045","","","","has coordinates,has disorder","196726","2020-10-21","18:00:00",""
"7042972","17.446","0.002","18.137","0.002","21.873","0.003","111.592","0.003","102.906","0.003","98.059","0.003","6081","1.3","90","2","90","2","","","","","","","","6","P -1","-P 1","2","","","","- C106 H167.07 Cl12 In4 N10 O10.53 -","- C106 H167.068 Cl12 In4 N10 O10.534 -","- C212 H334.136 Cl24 In8 N20 O21.068 -","2","1","","Chile, L.-E.; Ebrahimi, T.; Wong, A.; Aluthge, D. C.; Hatzikiriakos, S. G.; Mehrkhodavandi, P.","Impact of aryloxy initiators on the living and immortal polymerization of lactide.","Dalton transactions (Cambridge, England : 2003)","2017","","","","","10.1039/c7dt00990a","","x-ray","0.71073","MoKα","","0.118","0.0544","","","0.0944","0.1131","","","","","","1.003","","","","has coordinates,has disorder","196726","2020-10-21","18:00:00",""
"7042973","17.272","0.002","21.834","0.003","18.317","0.002","90","","95.278","0.002","90","","6878.4","1.4","90","2","90","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C69.5 H103 Cl3 In2 N4 O3 -","- C69.5 H103 Cl3 In2 N4 O3 -","- C278 H412 Cl12 In8 N16 O12 -","4","1","","Chile, L.-E.; Ebrahimi, T.; Wong, A.; Aluthge, D. C.; Hatzikiriakos, S. G.; Mehrkhodavandi, P.","Impact of aryloxy initiators on the living and immortal polymerization of lactide.","Dalton transactions (Cambridge, England : 2003)","2017","","","","","10.1039/c7dt00990a","","x-ray","0.71073","MoKα","","0.069","0.041","","","0.0899","0.1036","","","","","","1.003","","","","has coordinates,has disorder","196726","2020-10-21","18:00:00",""
"7042974","18.451","0.002","21.673","0.003","18.847","0.002","90","","111.583","0.003","90","","7008.3","1.4","90","2","90","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C69.5 H102 Br Cl3 In2 N4 O3 -","- C69.5 H102 Br Cl3 In2 N4 O3 -","- C278 H408 Br4 Cl12 In8 N16 O12 -","4","1","","Chile, L.-E.; Ebrahimi, T.; Wong, A.; Aluthge, D. C.; Hatzikiriakos, S. G.; Mehrkhodavandi, P.","Impact of aryloxy initiators on the living and immortal polymerization of lactide.","Dalton transactions (Cambridge, England : 2003)","2017","","","","","10.1039/c7dt00990a","","x-ray","0.71073","MoKα","","0.0927","0.0493","","","0.0965","0.114","","","","","","1.023","","","","has coordinates,has disorder","196726","2020-10-21","18:00:00",""
"7042975","10.5118","0.0004","24.303","0.001","30.4559","0.0011","90","","93.687","0.002","90","","7764.4","0.5","100","2","100","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C73 H102 Cl4 In2 N4 O4 -","- C73 H102 Cl4 In2 N4 O4 -","- C292 H408 Cl16 In8 N16 O16 -","4","1","","Chile, L.-E.; Ebrahimi, T.; Wong, A.; Aluthge, D. C.; Hatzikiriakos, S. G.; Mehrkhodavandi, P.","Impact of aryloxy initiators on the living and immortal polymerization of lactide.","Dalton transactions (Cambridge, England : 2003)","2017","","","","","10.1039/c7dt00990a","","x-ray","0.71073","MoKα","","0.0608","0.0489","","","0.1168","0.1217","","","","","","1.054","","","","has coordinates,has disorder","196726","2020-10-21","18:00:00",""
"7042976","24.6479","0.0006","20.0693","0.0004","21.9376","0.0004","90","","106.439","0.002","90","","10408.2","0.4","110","2","110","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C52 H80 Co2 N4 P4 -","- C52 H80 Co2 N4 P4 -","- C416 H640 Co16 N32 P32 -","8","2","","Vreeken, Vincent; Baij, Lambert; de Bruin, Bas; Siegler, Maxime A.; van der Vlugt, Jarl Ivar","N-­Atom Transfer via Thermal or Photolytic Activation of a Co-­‐Azido Complex with a PNP Pincer Ligand","Dalton Trans.","2017","","","","","10.1039/C7DT01712J","","","1.54178","CuKα","","0.0944","0.0548","","","0.1127","0.1305","","","","","","1.014","","","","has coordinates","196727","2020-10-21","18:00:00",""
"7042977","15.5328","0.0006","12.3112","0.0005","17.8014","0.0008","90","","106.794","0.002","90","","3258.9","0.2","150","2","150","2","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C30 H51 Cl Co N2 O P2 -","- C30 H51 Cl Co N2 O P2 -","- C120 H204 Cl4 Co4 N8 O4 P8 -","4","1","","Vreeken, Vincent; Baij, Lambert; de Bruin, Bas; Siegler, Maxime A.; van der Vlugt, Jarl Ivar","N-­Atom Transfer via Thermal or Photolytic Activation of a Co-­‐Azido Complex with a PNP Pincer Ligand","Dalton Trans.","2017","","","","","10.1039/C7DT01712J","","","0.71073","MoKα","","0.0773","0.0449","","","0.0748","0.084","","","","","","1.061","","","","has coordinates,has disorder","196727","2020-10-21","18:00:00",""
"7042978","7.8347","0.0004","13.3996","0.0009","14.0216","0.0013","90","","90","","90","","1472.01","0.18","293","2","293","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C8 H9 B Cu2 K O14.5 -","- C8 H8 B Cu2 K O14.5 -","- C32 H32 B4 Cu8 K4 O58 -","4","1","","Yan, Dong; Mao, Feifei; Ruan, Ting Ting; Mao, Jianggao","Two Tartratoborates with Hybrid Anionic Groups from Unusual Condensation Reactions","Dalton Trans.","2017","","","","","10.1039/C7DT01360D","","","0.71073","MoKα","","0.0462","0.0378","","","0.0796","0.0847","","","","","","1.039","","","","has coordinates","196728","2020-10-21","18:00:00",""
"7042979","10.9959","0.0004","13.2785","0.0003","7.906","0.0003","90","","107.567","0.004","90","","1100.51","0.07","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C4 H5 B3 K2 O11 -","- C4 H3 B3 K2 O11 -","- C16 H12 B12 K8 O44 -","4","1","","Yan, Dong; Mao, Feifei; Ruan, Ting Ting; Mao, Jianggao","Two Tartratoborates with Hybrid Anionic Groups from Unusual Condensation Reactions","Dalton Trans.","2017","","","","","10.1039/C7DT01360D","","","0.71073","MoKα","","0.0396","0.0337","","","0.0876","0.0923","","","","","","1.128","","","","has coordinates","196728","2020-10-21","18:00:00",""
"7042980","10.4697","0.0013","10.4697","0.0013","9.476","0.002","90","","90","","120","","899.5","0.2","293","2","293","2","","","","","","","","4","R 3 :H","R 3","146","","","","- Ga Rb Se6 Sn2 -","- Ga0.99 Rb Se6 Sn2.01 -","- Ga2.97 Rb3 Se18 Sn6.03 -","3","0.333333","","Lin, Hua; Chen, Hong; Zheng, Yu-Jun; Yu, Ju-Song; Wu, Xin-Tao; Wu, Li-Ming","Two excellent phase-matchable infrared nonlinear-optical materials based on the 3D diamond-like frameworks: RbGaSn2Se6 and RbInSn2Se6","Dalton Trans.","2017","","","","","10.1039/C7DT01384A","","","0.71073","MoKα","","0.0244","0.0228","","","0.04","0.0402","","","","","","1.026","","","","has coordinates,has disorder","196729","2020-10-21","18:00:00",""
"7042981","10.6044","0.0008","10.6044","0.0008","9.66","0.002","90","","90","","120","","940.8","0.2","293","2","293","2","","","","","","","","4","R 3 :H","R 3","146","","","","- In Rb Se6 Sn2 -","- In0.99 Rb Se6 Sn2.01 -","- In2.97 Rb3 Se18 Sn6.03 -","3","0.333333","","Lin, Hua; Chen, Hong; Zheng, Yu-Jun; Yu, Ju-Song; Wu, Xin-Tao; Wu, Li-Ming","Two excellent phase-matchable infrared nonlinear-optical materials based on the 3D diamond-like frameworks: RbGaSn2Se6 and RbInSn2Se6","Dalton Trans.","2017","","","","","10.1039/C7DT01384A","","","0.71073","MoKα","","0.0274","0.0254","","","0.0483","0.0487","","","","","","1.016","","","","has coordinates,has disorder","196729","2020-10-21","18:00:00",""
"7042982","11.231","0.002","15.587","0.003","29.978","0.006","88.081","0.005","86.958","0.005","89.11","0.005","5237","1.7","150","2","150","2","","","","","","","","6","P -1","-P 1","2","","","","- C36 H72 Au2 N8 O12 U2 -","- C36 H72 Au2 N8 O12 U2 -","- C144 H288 Au8 N32 O48 U8 -","4","2","","Brown, Matthew L.; Ovens, Jeffrey S.; Leznoff, Daniel B.","Dicyanoaurate-based heterobimetallic uranyl coordination polymers.","Dalton transactions (Cambridge, England : 2003)","2017","","","","","10.1039/c7dt00942a","","","0.71073","MoKα","","0.1536","0.0841","","","0.1754","0.2006","","","","","","1.08","","","","has coordinates,has disorder","196730","2020-10-21","18:00:00",""
"7042983","11.1927","0.0018","32.757","0.006","14.629","0.002","90","","94.481","0.004","90","","5347.2","1.5","150","2","150","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C36 H72 Au2 N8 O12 U2 -","- C36 H72 Au2 N8 O12 U2 -","- C144 H288 Au8 N32 O48 U8 -","4","1","","Brown, Matthew L.; Ovens, Jeffrey S.; Leznoff, Daniel B.","Dicyanoaurate-based heterobimetallic uranyl coordination polymers.","Dalton transactions (Cambridge, England : 2003)","2017","","","","","10.1039/c7dt00942a","","","0.71073","MoKα","","0.1387","0.0602","","","0.0847","0.1017","","","","","","0.997","","","","has coordinates,has disorder","196730","2020-10-21","18:00:00",""
"7042984","9.2421","0.0003","10.8293","0.0003","11.1451","0.0002","100.608","0.002","90.338","0.002","114.663","0.002","992.1","0.05","296.15","","296.15","","","","","","","","","7","P -1","-P 1","2","","","","- C38 H30 Au N5 O8 P2 U -","- C38 H30 Au N5 O8 P2 U -","- C38 H30 Au N5 O8 P2 U -","1","0.5","","Brown, Matthew L.; Ovens, Jeffrey S.; Leznoff, Daniel B.","Dicyanoaurate-based heterobimetallic uranyl coordination polymers.","Dalton transactions (Cambridge, England : 2003)","2017","","","","","10.1039/c7dt00942a","","","1.54178","CuKα","","0.0585","0.0337","","","0.0708","0.08","","","","","","1.036","","","","has coordinates","196730","2020-10-21","18:00:00",""
"7042985","10.7013","0.0006","13.3921","0.0008","14.0367","0.0009","113.946","0.003","101.917","0.003","93.446","0.003","1775.42","0.19","149.98","","149.98","","","","","","","","","7","P -1","-P 1","2","","","","- C76 H60 Au2 N8 O8 P4 U -","- C76 H60 Au2 N8 O8 P4 U -","- C76 H60 Au2 N8 O8 P4 U -","1","0.5","","Brown, Matthew L.; Ovens, Jeffrey S.; Leznoff, Daniel B.","Dicyanoaurate-based heterobimetallic uranyl coordination polymers.","Dalton transactions (Cambridge, England : 2003)","2017","","","","","10.1039/c7dt00942a","","","0.71073","MoKα","","0.0413","0.0248","","","0.0493","0.0548","","","","","","1.031","","","","has coordinates","196730","2020-10-21","18:00:00",""
"7042986","11.1439","0.0005","12.7533","0.0006","15.0713","0.0008","69.826","0.002","77.625","0.002","84.51","0.002","1963.28","0.17","150","2","150","2","","","","","","","","7","P -1","-P 1","2","","","","- C38 H30 Au N4 O6 P2 U -","- C38 H30 Au N4 O6 P2 U -","- C76 H60 Au2 N8 O12 P4 U2 -","2","1","","Brown, Matthew L.; Ovens, Jeffrey S.; Leznoff, Daniel B.","Dicyanoaurate-based heterobimetallic uranyl coordination polymers.","Dalton transactions (Cambridge, England : 2003)","2017","","","","","10.1039/c7dt00942a","","","0.71073","MoKα","","0.0722","0.0392","","","0.0709","0.0847","","","","","","1.025","","","","has coordinates,has disorder","196730","2020-10-21","18:00:00",""
"7042987","12.418","0.0004","11.3951","0.0003","12.7018","0.0004","90","","109.867","0.002","90","","1690.39","0.09","150","2","149.99","","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C28 H26 Au2 N8 O6 U2 -","- C28 H26 Au2 N8 O6 U2 -","- C56 H52 Au4 N16 O12 U4 -","2","0.5","","Brown, Matthew L.; Ovens, Jeffrey S.; Leznoff, Daniel B.","Dicyanoaurate-based heterobimetallic uranyl coordination polymers.","Dalton transactions (Cambridge, England : 2003)","2017","","","","","10.1039/c7dt00942a","","","0.71073","MoKα","","0.0975","0.0561","","","0.1405","0.1634","","","","","","1.062","","","","has coordinates","196730","2020-10-21","18:00:00",""
"7042988","11.8363","0.0003","12.6558","0.0003","14.7514","0.0004","99.118","0.002","110.205","0.002","92.652","0.002","2035.34","0.1","298","10","298","10","","","","","","","","7","P -1","-P 1","2","","","","- C38 H30 Au N5 O8 P2 U -","- C38 H30 Au N5 O8 P2 U -","- C76 H60 Au2 N10 O16 P4 U2 -","2","1","","Brown, Matthew L.; Ovens, Jeffrey S.; Leznoff, Daniel B.","Dicyanoaurate-based heterobimetallic uranyl coordination polymers.","Dalton transactions (Cambridge, England : 2003)","2017","","","","","10.1039/c7dt00942a","","","1.54178","CuKα","","0.0385","0.0302","","","0.074","0.0799","","","","","","1.033","","","","has coordinates","196730","2020-10-21","18:00:00",""
"7042989","12.2358","0.0007","24.0833","0.0018","14.6019","0.0009","90","","112.146","0.005","90","","3985.4","0.5","149.97","","149.97","","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C36 H28 Au N11 O8 U2 -","- C36 H28 Au N11 O8 U2 -","- C144 H112 Au4 N44 O32 U8 -","4","0.5","","Brown, Matthew L.; Ovens, Jeffrey S.; Leznoff, Daniel B.","Dicyanoaurate-based heterobimetallic uranyl coordination polymers.","Dalton transactions (Cambridge, England : 2003)","2017","","","","","10.1039/c7dt00942a","","","1.54178","CuKα","","0.0566","0.0409","","","0.0947","0.1015","","","","","","0.996","","","","has coordinates","210357","2020-10-21","18:00:00",""
"7042990","6.1056","0.0009","12.5052","0.0018","13.1277","0.0019","113.603","0.004","97.039","0.004","99.801","0.004","884.7","0.2","150","2","150","2","","","","","","","","6","P -1","-P 1","2","","","","- C28 H30 Au2 N8 O8 U2 -","- C28 H30 Au2 N8 O8 U2 -","- C28 H30 Au2 N8 O8 U2 -","1","0.5","","Brown, Matthew L.; Ovens, Jeffrey S.; Leznoff, Daniel B.","Dicyanoaurate-based heterobimetallic uranyl coordination polymers.","Dalton transactions (Cambridge, England : 2003)","2017","","","","","10.1039/c7dt00942a","","","0.71073","MoKα","","0.0806","0.0488","","","0.0769","0.0833","","","","","","1.042","","","","has coordinates","196730","2020-10-21","18:00:00",""
"7042991","11.6592","0.0005","8.9815","0.0004","10.3322","0.0005","90","","115.786","0.002","90","","974.22","0.08","173","2","173","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C16 H16 O4 P2 S4 -","- C16 H16 O4 P2 S4 -","- C32 H32 O8 P4 S8 -","2","0.5","","Kosnik, Stephanie C.; Nascimento, Maxemilian C.; Rawson, Jeremy Michael; Macdonald, Charles L. B.","Synthesis of Bis(trithio)phosphines by Oxidative Transfer of Phosphorus(I)","Dalton Trans.","2017","","","","","10.1039/C7DT01345K","","","0.71073","MoKα","","0.0719","0.0434","","","0.0871","0.098","","","","","","1.035","","","","has coordinates","196731","2020-10-21","18:00:00",""
"7042992","10.0951","0.0003","25.1596","0.0008","14.0295","0.0004","90","","103.658","0.001","90","","3462.57","0.18","100","2","100","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C26 H28 Cl4 O6 P2 S6 -","- C26 H28 Cl4 O6 P2 S6 -","- C104 H112 Cl16 O24 P8 S24 -","4","1","","Kosnik, Stephanie C.; Nascimento, Maxemilian C.; Rawson, Jeremy Michael; Macdonald, Charles L. B.","Synthesis of Bis(trithio)phosphines by Oxidative Transfer of Phosphorus(I)","Dalton Trans.","2017","","","","","10.1039/C7DT01345K","","","0.71073","MoKα","","0.0563","0.0413","","","0.0834","0.0894","","","","","","1.129","","","","has coordinates","196731","2020-10-21","18:00:00",""
"7042993","8.395","0.0013","14.979","0.002","19.671","0.003","85.76","0.006","78.209","0.005","74.703","0.006","2335.1","0.6","170","2","170","2","","","","","","","","5","P -1","-P 1","2","","","","- C42 H54 O15 P2 S6 -","- C42 H54 O15 P2 S6 -","- C84 H108 O30 P4 S12 -","2","1","","Kosnik, Stephanie C.; Nascimento, Maxemilian C.; Rawson, Jeremy Michael; Macdonald, Charles L. B.","Synthesis of Bis(trithio)phosphines by Oxidative Transfer of Phosphorus(I)","Dalton Trans.","2017","","","","","10.1039/C7DT01345K","","","0.71073","MoKα","","0.1135","0.0886","","","0.2109","0.2253","","","","","","1.157","","","","has coordinates,has disorder","196731","2020-10-21","18:00:00",""
"7042994","6.1355","0.0004","13.0213","0.0007","14.8255","0.0007","90","","91.798","0.005","90","","1183.86","0.11","119.9","0.14","119.9","0.14","","","","","","","","4","I 1 2/a 1","-I 2ya","15","","","","- C10 H13.5 O4.75 Zn -","- C10 H12 O4.75 Zn -","- C40 H48 O19 Zn4 -","4","0.5","","Llabres, Pedro; Pitarch-Jarque, Javier; Ballesteros-Garrido, Rafael; Abarca, Belén; Ballesteros, Rafael; García-España, Enrique","Bicyclo[2.2.2]octane-1,4-dicarboxylic acid: Towards Transparent Metal-Organic Frameworks.","Dalton Trans.","2017","","","","","10.1039/C7DT00855D","","x-ray","0.71073","MoKα","","0.0432","0.0385","","","0.0925","0.0975","","","","","","1.069","","","","has coordinates,has disorder","196732","2020-10-21","18:00:00",""
"7042995","6.121","0.0002","19.591","0.0009","19.697","0.0007","90","","90.675","0.002","90","","2361.83","0.16","120","1","120","1","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C46 H62 N2 O18 Zn4 -","- C40 H48 O16 Zn4 -","- C80 H96 O32 Zn8 -","2","0.25","","Llabres, Pedro; Pitarch-Jarque, Javier; Ballesteros-Garrido, Rafael; Abarca, Belén; Ballesteros, Rafael; García-España, Enrique","Bicyclo[2.2.2]octane-1,4-dicarboxylic acid: Towards Transparent Metal-Organic Frameworks.","Dalton Trans.","2017","","","","","10.1039/C7DT00855D","","","0.71073","MoKα","","0.0638","0.0576","","","0.1671","0.1747","","","","","","1.076","","","","has coordinates,has disorder","196732","2020-10-21","18:00:00",""
"7042996","12.7557","0.0004","12.7557","0.0004","30.637","0.0008","90","","90","","120","","4317","0.2","120","1","120","1","","","","","","","","5","P 31 2 1","P 31 2""","152","","","","- C45 H69 N3 O16 Zn4 -","- C40 H58 N2 O15 Zn4 -","- C120 H174 N6 O45 Zn12 -","3","0.5","","Llabres, Pedro; Pitarch-Jarque, Javier; Ballesteros-Garrido, Rafael; Abarca, Belén; Ballesteros, Rafael; García-España, Enrique","Bicyclo[2.2.2]octane-1,4-dicarboxylic acid: Towards Transparent Metal-Organic Frameworks.","Dalton Trans.","2017","","","","","10.1039/C7DT00855D","","x-ray","0.71073","MoKα","","0.0758","0.0636","","","0.1646","0.1745","","","","","","1.064","","","","has coordinates,has disorder","196732","2020-10-21","18:00:00",""
"7042997","6.1341","0.0004","19.5931","0.0011","19.6981","0.0013","90","","90.564","0.006","90","","2367.3","0.3","120","0.1","120","0.1","","","","","","","","5","P 1 2/n 1","-P 2yac","13","","","","- C46 H62 N2 O18 Zn4 -","- C46 H62 N2 O18 Zn4 -","- C92 H124 N4 O36 Zn8 -","2","0.5","","Llabres, Pedro; Pitarch-Jarque, Javier; Ballesteros-Garrido, Rafael; Abarca, Belén; Ballesteros, Rafael; García-España, Enrique","Bicyclo[2.2.2]octane-1,4-dicarboxylic acid: Towards Transparent Metal-Organic Frameworks.","Dalton Trans.","2017","","","","","10.1039/C7DT00855D","","x-ray","0.71073","MoKα","","0.0945","0.0753","","","0.1989","0.2227","","","","","","1.069","","","","has coordinates,has disorder","196732","2020-10-21","18:00:00",""
"7042998","13.0764","0.0004","15.2793","0.0005","17.7827","0.0005","81.525","0.001","77.122","0.001","78.078","0.001","3369.69","0.18","100","2","100","2","","","","","","","","6","P -1","-P 1","2","","","","- C27 H55 N O Pt Si5 -","- C27 H55 N O Pt Si5 -","- C108 H220 N4 O4 Pt4 Si20 -","4","2","","Iimura, Tomohiro; Akasaka, Naohiko; Kosai, Tomoyuki; Iwamoto, Takeaki","A Pt(0) complex with cyclic (alkyl)(amino)silylene and 1,3-divinyl-1,1,3,3-tetramethyldisiloxane ligands: synthesis, molecular structure, and catalytic hydrosilylation activity.","Dalton transactions (Cambridge, England : 2003)","2017","","","","","10.1039/c7dt01113j","","","0.71073","MoKα","","0.0261","0.0198","","","0.0456","0.0482","","","","","","1.032","","","","has coordinates,has disorder","196733","2020-10-21","18:00:00",""
"7042999","10.4931","0.0003","11.8295","0.0003","13.8875","0.0003","92.884","0.002","106.314","0.002","111.707","0.002","1513.94","0.07","173","2","173","2","","","","","","","","7","P -1","-P 1","2","","","","- C34 H32 Cl2 Cr N2 O3 Pd -","- C34 H32 Cl2 Cr N2 O3 Pd -","- C68 H64 Cl4 Cr2 N4 O6 Pd2 -","2","1","","Werlé, C; DOHM, Sebastian; Bailly, Corinne; Karmazin, Lydia; Ricard, Louis; Sieffert, Nicolas; pfeffer, michel; Hansen, Andreas; Grimme, Stefan; Djukic, Jean-Pierre","Trans-Cis C-Pd-C Rearrangement in Hemichelates","Dalton Trans.","2017","","","","","10.1039/C7DT00872D","","","1.54178","CuKα","","0.0667","0.046","","","0.1024","0.1106","","","","","","0.994","","","","has coordinates","196777","2020-10-21","18:00:00",""
"7043000","11.0027","0.0007","13.4372","0.0007","16.1063","0.0006","81.693","0.003","82.094","0.003","76.169","0.003","2274.8","0.2","173","2","173","2","","","","","","","","7","P -1","-P 1","2","","","","- C25.5 H22 Cl Cr N O3 Pd -","- C25.5 H22 Cl Cr N O3 Pd -","- C102 H88 Cl4 Cr4 N4 O12 Pd4 -","4","2","","Werlé, C; DOHM, Sebastian; Bailly, Corinne; Karmazin, Lydia; Ricard, Louis; Sieffert, Nicolas; pfeffer, michel; Hansen, Andreas; Grimme, Stefan; Djukic, Jean-Pierre","Trans-Cis C-Pd-C Rearrangement in Hemichelates","Dalton Trans.","2017","","","","","10.1039/C7DT00872D","","","0.71073","MoKα","","0.148","0.0837","","","0.1718","0.2083","","","","","","1.066","","","","has coordinates","202518","2020-10-21","18:00:00",""
"7043001","12.275","0.001","20.459","0.001","12.392","0.001","90","","91.707","0.001","90","","3110.7","0.4","150","0.1","150","0.1","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C39 H35 Cr N O3 Pd -","- C32 H27 Cr N O3 Pd -","- C128 H108 Cr4 N4 O12 Pd4 -","4","1","","Werlé, C; DOHM, Sebastian; Bailly, Corinne; Karmazin, Lydia; Ricard, Louis; Sieffert, Nicolas; pfeffer, michel; Hansen, Andreas; Grimme, Stefan; Djukic, Jean-Pierre","Trans-Cis C-Pd-C Rearrangement in Hemichelates","Dalton Trans.","2017","","","","","10.1039/C7DT00872D","","","0.71069","MoKα","","0.0801","0.0655","","","0.132","0.1398","","","","","","1.103","","","","has coordinates,has disorder","196777","2020-10-21","18:00:00",""
"7043002","12.3542","0.0004","20.8076","0.0007","12.4042","0.0004","90","","90.367","0.001","90","","3188.57","0.18","173","2","173","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C33 H30 Cr N2 O3 Pd -","- C33 H30 Cr N2 O3 Pd -","- C132 H120 Cr4 N8 O12 Pd4 -","4","1","","Werlé, C; DOHM, Sebastian; Bailly, Corinne; Karmazin, Lydia; Ricard, Louis; Sieffert, Nicolas; pfeffer, michel; Hansen, Andreas; Grimme, Stefan; Djukic, Jean-Pierre","Trans-Cis C-Pd-C Rearrangement in Hemichelates","Dalton Trans.","2017","","","","","10.1039/C7DT00872D","","","0.71073","MoKα","","0.0433","0.0304","","","0.0738","0.0771","","","","","","1.04","","","","has coordinates","196777","2020-10-21","18:00:00",""
"7043003","21.301","0.001","10.594","0.001","13.04","0.001","90","","90","","90","","2942.6","0.4","150","2","150","2","","","","","","","","7","P c a 21","P 2c -2ac","29","","","","- C33 H0 Cl2 Cr N O3 Pd -","- C33 H29 Cl2 Cr N O3 Pd -","- C132 H116 Cl8 Cr4 N4 O12 Pd4 -","4","1","","Werlé, C; DOHM, Sebastian; Bailly, Corinne; Karmazin, Lydia; Ricard, Louis; Sieffert, Nicolas; pfeffer, michel; Hansen, Andreas; Grimme, Stefan; Djukic, Jean-Pierre","Trans-Cis C-Pd-C Rearrangement in Hemichelates","Dalton Trans.","2017","","","","","10.1039/C7DT00872D","","","0.71069","MoKα","","0.0423","0.0395","","","0.1002","0.1029","","","","","","1.049","","","","has coordinates","196777","2020-10-21","18:00:00",""
"7043004","15.9303","0.0009","10.333","0.0006","13.6837","0.0008","90","","106.737","0.002","90","","2157","0.2","173","2","173","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C25 H20 Cr F N O3 Pd -","- C25 H20 Cr F N O3 Pd -","- C100 H80 Cr4 F4 N4 O12 Pd4 -","4","1","","Werlé, C; DOHM, Sebastian; Bailly, Corinne; Karmazin, Lydia; Ricard, Louis; Sieffert, Nicolas; pfeffer, michel; Hansen, Andreas; Grimme, Stefan; Djukic, Jean-Pierre","Trans-Cis C-Pd-C Rearrangement in Hemichelates","Dalton Trans.","2017","","","","","10.1039/C7DT00872D","","","0.71073","MoKα","","0.0769","0.0391","","","0.0649","0.0742","","","","","","0.971","","","","has coordinates","196777","2020-10-21","18:00:00",""
"7043005","16.054","0.0004","7.7396","0.0002","33.1509","0.0008","90","","90","","90","","4119.05","0.18","173","2","173","2","","","","","","","","6","P b c a","-P 2ac 2ab","61","","","","- C26 H17 Cr N O3 Pd -","- C26 H17 Cr N O3 Pd -","- C208 H136 Cr8 N8 O24 Pd8 -","8","1","","Werlé, C; DOHM, Sebastian; Bailly, Corinne; Karmazin, Lydia; Ricard, Louis; Sieffert, Nicolas; pfeffer, michel; Hansen, Andreas; Grimme, Stefan; Djukic, Jean-Pierre","Trans-Cis C-Pd-C Rearrangement in Hemichelates","Dalton Trans.","2017","","","","","10.1039/C7DT00872D","","","0.71073","MoKα","","0.0335","0.0247","","","0.0637","0.0756","","","","","","1.157","","","","has coordinates","196777","2020-10-21","18:00:00",""
"7043006","35.116","0.005","8.321","0.001","17.156","0.003","90","","115.285","0.006","90","","4532.7","1.2","150","0.1","150","0.1","","","","","","","","7","C 1 2/c 1","-C 2yc","15","","","","- C51 H44 Cl2 Cr2 N2 O6 Pd2 -","- C51 H44 Cl2 Cr2 N2 O6 Pd2 -","- C204 H176 Cl8 Cr8 N8 O24 Pd8 -","4","0.5","","Werlé, C; DOHM, Sebastian; Bailly, Corinne; Karmazin, Lydia; Ricard, Louis; Sieffert, Nicolas; pfeffer, michel; Hansen, Andreas; Grimme, Stefan; Djukic, Jean-Pierre","Trans-Cis C-Pd-C Rearrangement in Hemichelates","Dalton Trans.","2017","","","","","10.1039/C7DT00872D","","","0.71069","MoKα","","0.0544","0.0466","","","0.1039","0.1082","","","","","","1.171","","","","has coordinates","196777","2020-10-21","18:00:00",""
"7043007","8.291","0.001","10.275","0.001","15.137","0.001","90","","90","","90","","1289.5","0.2","150","0.1","150","0.1","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","(hapto6-fluorene)tricarbonylchromium","","- C16 H10 Cr O3 -","- C16 H10 Cr O3 -","- C64 H40 Cr4 O12 -","4","1","","Werlé, C; DOHM, Sebastian; Bailly, Corinne; Karmazin, Lydia; Ricard, Louis; Sieffert, Nicolas; pfeffer, michel; Hansen, Andreas; Grimme, Stefan; Djukic, Jean-Pierre","Trans-Cis C-Pd-C Rearrangement in Hemichelates","Dalton Trans.","2017","","","","","10.1039/C7DT00872D","","","0.71069","MoKα","","0.043","0.0387","","","0.0906","0.0946","","","","","","1.037","","","","has coordinates","196777","2020-10-21","18:00:00",""
"7043008","9.139","0.001","11.832","0.001","15.967","0.001","88.424","0.001","88.469","0.001","84.314","0.001","1716.9","0.3","150","0.1","150","0.1","","","","","","","","7","P -1","-P 1","2","","","","- C75 H82 Cl2 Cr2 N4 O6 Pd4 -","- C68 H66 Cl2 Cr2 N4 O6 Pd4 -","- C68 H66 Cl2 Cr2 N4 O6 Pd4 -","1","0.5","","Werlé, C; DOHM, Sebastian; Bailly, Corinne; Karmazin, Lydia; Ricard, Louis; Sieffert, Nicolas; pfeffer, michel; Hansen, Andreas; Grimme, Stefan; Djukic, Jean-Pierre","Trans-Cis C-Pd-C Rearrangement in Hemichelates","Dalton Trans.","2017","","","","","10.1039/C7DT00872D","","","0.71069","MoKα","","0.0518","0.0435","","","0.0848","0.0895","","","","","","1.071","","","","has coordinates","196777","2020-10-21","18:00:00",""
"7043009","9.5194","0.0001","15.9813","0.0001","23.6291","0.0001","90","","93.1146","0.0004","90","","3589.44","0.05","150","","150","","","","","","","","Research School of Chemistry","6","P 1 21/n 1","-P 2yn","14","","","","- C34 H30 B Br4 Fe2 P2 -","- C34 H30 B Br4 Fe2 P2 -","- C136 H120 B4 Br16 Fe8 P8 -","4","1","","Hill, Anthony; Ward, Jas S.","Synthetic and Structural Studies of Phosphine Coordinated Boronium Salts","Dalton Trans.","2017","","","","","10.1039/C7DT01023K","","","1.5418","CuKα","","0.0327","0.0321","","0.0869","0.0865","0.0869","","","","","","0.9969","","","","has coordinates","196778","2020-10-21","18:00:00",""
"7043010","13.2239","0.0006","21.511","0.0009","14.3499","0.0004","90","","100.315","0.002","90","","4016","0.3","200","","200","","","","","","","","Research School of Chemistry","7","P 1 21/n 1","-P 2yn","14","","","","- C41 H43 As B F6 O P3 -","- C41 H43 As B F6 O P3 -","- C164 H172 As4 B4 F24 O4 P12 -","4","1","","Hill, Anthony; Ward, Jas S.","Synthetic and Structural Studies of Phosphine Coordinated Boronium Salts","Dalton Trans.","2017","","","","","10.1039/C7DT01023K","","","0.71073","MoKα","","0.1601","0.072","","0.1932","0.1597","0.1932","","","","","","0.9314","","","","has coordinates","196778","2020-10-21","18:00:00",""
"7043011","14.6204","0.0002","14.088","0.0003","14.7554","0.0003","90","","109.011","0.0015","90","","2873.42","0.1","200","","200","","","","","","","","Research School of Chemistry","7","P 1 21/a 1","-P 2yab","14","","","","- C22 H23 B Br2 Cl6 N P -","- C22 H23 B Br2 Cl6 N P -","- C88 H92 B4 Br8 Cl24 N4 P4 -","4","1","","Hill, Anthony; Ward, Jas S.","Synthetic and Structural Studies of Phosphine Coordinated Boronium Salts","Dalton Trans.","2017","","","","","10.1039/C7DT01023K","","","0.71073","MoKα","","0.0733","0.0426","","0.102","0.09","0.102","","","","","","0.9651","","","","has coordinates","196778","2020-10-21","18:00:00",""
"7043012","11.1381","0.0001","12.5367","0.0002","22.3536","0.0003","90","","97.2547","0.0008","90","","3096.36","0.07","200","","200","","","","","","","","Research School of Chemistry","5","P 1 21/n 1","-P 2yn","14","","","","- C26 H51 B2 Br3 P2 -","- C26 H51 B2 Br3 P2 -","- C104 H204 B8 Br12 P8 -","4","1","","Hill, Anthony; Ward, Jas S.","Synthetic and Structural Studies of Phosphine Coordinated Boronium Salts","Dalton Trans.","2017","","","","","10.1039/C7DT01023K","","","0.71073","MoKα","","0.0549","0.0447","","0.1251","0.1172","0.1251","","","","","","0.9925","","","","has coordinates","196778","2020-10-21","18:00:00",""
"7043013","10.3352","0.0002","10.6422","0.0002","15.0052","0.0004","74.012","0.002","85.306","0.002","89.5144","0.0019","1581.08","0.06","150","","150","","","","","","","","Research School of Chemistry","7","P -1","-P 1","2","","","","- C34 H30 As B F6 Fe P2 -","- C34 H30 As B F6 Fe P2 -","- C68 H60 As2 B2 F12 Fe2 P4 -","2","1","","Hill, Anthony; Ward, Jas S.","Synthetic and Structural Studies of Phosphine Coordinated Boronium Salts","Dalton Trans.","2017","","","","","10.1039/C7DT01023K","","","1.54184","CuKα","","0.0265","0.0261","","0.0708","0.0706","0.0708","","","","","","0.9615","","","","has coordinates","196778","2020-10-21","18:00:00",""
"7043014","13.0162","0.0003","21.4161","0.0005","14.4005","0.0002","90","","97.8708","0.0013","90","","3976.41","0.14","200","","200","","","","","","","","Research School of Chemistry","7","P 1 21/n 1","-P 2yn","14","","","","- C41 H41.8 As B F6 O P3 -","- C41 H41.8 As B F6 O P3 -","- C164 H167.2 As4 B4 F24 O4 P12 -","4","1","","Hill, Anthony; Ward, Jas S.","Synthetic and Structural Studies of Phosphine Coordinated Boronium Salts","Dalton Trans.","2017","","","","","10.1039/C7DT01023K","","","0.71073","MoKα","","0.0901","0.0564","","0.1517","0.1343","0.1517","","","","","","0.9869","","","","has coordinates","196778","2020-10-21","18:00:00",""
"7043015","13.5244","0.0003","12.0969","0.0003","9.8466","0.0002","90","","90","","90","","1610.94","0.06","200","","200","","","","","","","","Research School of Chemistry","5","P b c n","-P 2n 2ab","60","","","","- C12 H28 B Br P2 -","- C12 H28 B Br P2 -","- C48 H112 B4 Br4 P8 -","4","0.5","","Hill, Anthony; Ward, Jas S.","Synthetic and Structural Studies of Phosphine Coordinated Boronium Salts","Dalton Trans.","2017","","","","","10.1039/C7DT01023K","","","0.71073","MoKα","","0.0386","0.0261","","0.0645","0.0597","0.0645","","","","","","0.9793","","","","has coordinates","196778","2020-10-21","18:00:00",""
"7043016","12.8454","0.0002","15.8917","0.0003","14.0831","0.0003","90","","101.305","0.0011","90","","2819.07","0.09","200","","200","","","","","","","","Research School of Chemistry","6","P 1 21/n 1","-P 2yn","14","","","","- C26.89 H27.79 B Br Cl1.79 P2 -","- C26.8925 H27.785 B Br Cl1.7855 P2 -","- C107.57 H111.14 B4 Br4 Cl7.142 P8 -","4","1","","Hill, Anthony; Ward, Jas S.","Synthetic and Structural Studies of Phosphine Coordinated Boronium Salts","Dalton Trans.","2017","","","","","10.1039/C7DT01023K","","","0.71073","MoKα","","0.0649","0.0529","","0.154","0.1437","0.154","","","","","","0.9833","","","","has coordinates","196778","2020-10-21","18:00:00",""
"7043017","12.7639","0.0003","21.4218","0.0005","14.4115","0.0002","90","","95.4493","0.0013","90","","3922.67","0.14","200","","200","","","","","","","","Research School of Chemistry","7","P 1 21/n 1","-P 2yn","14","","","","- C41 H41 As B F6 O P3 -","- C41 H41 As B F6 O P3 -","- C164 H164 As4 B4 F24 O4 P12 -","4","1","","Hill, Anthony; Ward, Jas S.","Synthetic and Structural Studies of Phosphine Coordinated Boronium Salts","Dalton Trans.","2017","","","","","10.1039/C7DT01023K","","","0.71073","MoKα","","0.0783","0.0518","","0.1347","0.1224","0.1347","","","","","","0.9475","","","","has coordinates","196778","2020-10-21","18:00:00",""
"7043018","27.9522","0.0014","13.3162","0.0008","10.5732","0.0005","90","","91.95","0.003","90","","3933.2","0.4","200","","200","","","","","","","","Research School of Chemistry","6","C 1 2/c 1","-C 2yc","15","","","","- C42 H44 As2 B Br P2 -","- C42 H44 As2 B Br P2 -","- C168 H176 As8 B4 Br4 P8 -","4","0.5","","Hill, Anthony; Ward, Jas S.","Synthetic and Structural Studies of Phosphine Coordinated Boronium Salts","Dalton Trans.","2017","","","","","10.1039/C7DT01023K","","","0.71073","MoKα","","0.0749","0.0592","","0.1283","0.1212","0.1283","","","","","","1.0423","","","","has coordinates","196778","2020-10-21","18:00:00",""
"7043019","9.577","0.0002","7.3405","0.0001","27.7205","0.0005","90","","98.4547","0.001","90","","1927.57","0.06","200","","200","","","","","","","","Research School of Chemistry","6","P 1 21/n 1","-P 2yn","14","","","","- C20 H22 B Br N P -","- C20 H22 B Br N P -","- C80 H88 B4 Br4 N4 P4 -","4","1","","Hill, Anthony; Ward, Jas S.","Synthetic and Structural Studies of Phosphine Coordinated Boronium Salts","Dalton Trans.","2017","","","","","10.1039/C7DT01023K","","","0.71073","MoKα","","0.0452","0.0333","","0.0817","0.0757","0.0817","","","","","","0.9906","","","","has coordinates","196778","2020-10-21","18:00:00",""
"7043020","10.249","0.0002","19.1746","0.0007","15.1472","0.0005","90","","91.516","0.002","90","","2975.69","0.16","200","","200","","","","","","","","Research School of Chemistry","6","P 1 21/n 1","-P 2yn","14","","","","- C24 H46 B F6 P2 Sb -","- C24 H46 B F6 P2 Sb -","- C96 H184 B4 F24 P8 Sb4 -","4","1","","Hill, Anthony; Ward, Jas S.","Synthetic and Structural Studies of Phosphine Coordinated Boronium Salts","Dalton Trans.","2017","","","","","10.1039/C7DT01023K","","","0.71073","MoKα","","0.0833","0.0556","","0.1504","0.1234","0.1504","","","","","","0.938","","","","has coordinates","196778","2020-10-21","18:00:00",""
"7043021","8.3066","0.0001","18.0004","0.0003","15.1242","0.0002","90","","97.206","0.0009","90","","2243.54","0.06","200","","200","","","","","","","","Research School of Chemistry","5","P 1 21/n 1","-P 2yn","14","","","","- C24 H24 B Br P2 -","- C24 H24 B Br P2 -","- C96 H96 B4 Br4 P8 -","4","1","","Hill, Anthony; Ward, Jas S.","Synthetic and Structural Studies of Phosphine Coordinated Boronium Salts","Dalton Trans.","2017","","","","","10.1039/C7DT01023K","","","0.71073","MoKα","","0.04","0.0302","","0.0773","0.0723","0.0773","","","","","","0.9679","","","","has coordinates","196778","2020-10-21","18:00:00",""
"7043022","13.7686","0.0006","14.0695","0.0005","14.3983","0.0006","98.002","0.002","114.364","0.0019","113.651","0.002","2166.66","0.17","200","","200","","","","","","","","Research School of Chemistry","5","P -1","-P 1","2","","","","- C41 H41 B Br P3 -","- C41 H41 B Br P3 -","- C82 H82 B2 Br2 P6 -","2","1","","Hill, Anthony; Ward, Jas S.","Synthetic and Structural Studies of Phosphine Coordinated Boronium Salts","Dalton Trans.","2017","","","","","10.1039/C7DT01023K","","","0.71073","MoKα","","0.059","0.0477","","0.1504","0.1418","0.1504","","","","","","1.0032","","","","has coordinates","196778","2020-10-21","18:00:00",""
"7043023","11.8318","0.0003","13.6868","0.0003","20.5375","0.0004","102.082","0.0013","99.8011","0.001","92.5268","0.0011","3193.71","0.13","200","","200","","","","","","","","Research School of Chemistry","6","P -1","-P 1","2","","","","- C26.5 H50 B Br2 Cl P2 -","- C26.5 H50 B Br2 Cl P2 -","- C106 H200 B4 Br8 Cl4 P8 -","4","2","","Hill, Anthony; Ward, Jas S.","Synthetic and Structural Studies of Phosphine Coordinated Boronium Salts","Dalton Trans.","2017","","","","","10.1039/C7DT01023K","","","0.71073","MoKα","","0.0706","0.0473","","0.132","0.1182","0.132","","","","","","0.9776","","","","has coordinates","203412","2020-10-21","18:00:00",""
"7043024","11.1026","0.0003","12.0068","0.0003","12.5924","0.0003","117.069","0.0011","109.932","0.0014","96.4193","0.0013","1331.87","0.07","200","","200","","","","","","","","Research School of Chemistry","5","P -1","-P 1","2","","","","- C24 H48 B Br P2 -","- C24 H48 B Br P2 -","- C48 H96 B2 Br2 P4 -","2","1","","Hill, Anthony; Ward, Jas S.","Synthetic and Structural Studies of Phosphine Coordinated Boronium Salts","Dalton Trans.","2017","","","","","10.1039/C7DT01023K","","","0.71073","MoKα","","0.0448","0.0329","","0.0764","0.0717","0.0764","","","","","","0.9794","","","","has coordinates","196778","2020-10-21","18:00:00",""
"7043025","12.5325","0.0004","13.6104","0.0005","12.315","0.0003","90","","119.507","0.0016","90","","1828.13","0.1","200","","200","","","","","","","","Research School of Chemistry","5","C 1 c 1","C -2yc","9","","","","- C16 H24 B Br P2 -","- C16 H24 B Br P2 -","- C64 H96 B4 Br4 P8 -","4","1","","Hill, Anthony; Ward, Jas S.","Synthetic and Structural Studies of Phosphine Coordinated Boronium Salts","Dalton Trans.","2017","","","","","10.1039/C7DT01023K","","","0.71073","MoKα","","0.0401","0.0299","","0.0603","0.0568","0.0603","","","","","","0.9862","","","","has coordinates","196778","2020-10-21","18:00:00",""
"7043026","11.0302","0.0001","16.4541","0.0002","35.0725","0.0005","90","","93.3927","0.0005","90","","6354.22","0.13","200","","200","","","","","","","","Research School of Chemistry","6","P 1 21/n 1","-P 2yn","14","","","","- C16 H24 As B F6 P2 -","- C16 H24 As B F6 P2 -","- C192 H288 As12 B12 F72 P24 -","12","3","","Hill, Anthony; Ward, Jas S.","Synthetic and Structural Studies of Phosphine Coordinated Boronium Salts","Dalton Trans.","2017","","","","","10.1039/C7DT01023K","","","0.71073","MoKα","","0.0894","0.0607","","0.1606","0.1419","0.1606","","","","","","0.9629","","","","has coordinates","196778","2020-10-21","18:00:00",""
"7043027","18.4285","0.0007","8.5936","0.0003","20.9657","0.0008","90","","94.666","0.002","90","","3309.3","0.2","273","","273","","","","","","","","Research School of Chemistry","5","C 1 2/c 1","-C 2yc","15","","","","- C26 H50 B2 Br4 P2 -","- C26 H50 B2 Br4 P2 -","- C104 H200 B8 Br16 P8 -","4","0.5","","Hill, Anthony; Ward, Jas S.","Synthetic and Structural Studies of Phosphine Coordinated Boronium Salts","Dalton Trans.","2017","","","","","10.1039/C7DT01023K","","","0.71073","MoKα","","0.0899","0.065","","0.1817","0.1672","0.1817","","","","","","0.9337","","","","has coordinates","196778","2020-10-21","18:00:00",""
"7043028","18.42479","0.0002","35.8993","0.0007","36.7318","0.0004","90","","90","","90","","24295.8","0.6","100","2","100","2","","","","","","","","7","P 2 21 21","P 2bc 2","18","","","","- C250 H325 Cu8 I8 N39 Ni4 O28 -","- C184 H176 Cu8 I8 N16 Ni4 O8 -","- C736 H704 Cu32 I32 N64 Ni16 O32 -","4","1","","Jiang, Huanfeng; jiawei, Li; Ren, Yanwei; Qi, Chaorong","A Chiral Salen-based MOF Catalytic Material with highly thermal, aqueous and chemical stabilities","Dalton Trans.","2017","","","","","10.1039/C7DT01116D","","","1.54184","CuKα","","0.1346","0.1242","","","0.3141","0.3234","","","","","","1.063","","","","has coordinates","196779","2020-10-21","18:00:00",""
"7043029","16.2838","0.0006","17.5789","0.0006","17.7316","0.0009","96.555","0.002","114.126","0.002","112.706","0.002","4044.3","0.3","123","2","123","2","","","","","","","synthesis as described","5","P -1","-P 1","2","","","","- C77 H105 Mo3 N7 O12 -","- C77 H105 Mo3 N7 O12 -","- C154 H210 Mo6 N14 O24 -","2","1","","Hossain, M. K.; Haukka, M.; Sillanpää, R.; Hrovat, D. A.; Richmond, M. G.; Nordlander, E.; Lehtonen, A.","Syntheses and catalytic oxotransfer activities of oxo molybdenum(vi) complexes of a new aminoalcohol phenolate ligand","Dalton Trans.","2017","","","","","10.1039/C7DT00846E","","x-ray","0.71073","MoKα","","0.0572","0.0407","","","0.0875","0.0945","","","","","","1.026","","","","has coordinates","196780","2020-10-21","18:00:00",""
"7043030","27.9302","0.0015","9.0371","0.0004","24.5199","0.001","90","","104.89","0.005","90","","5981.2","0.5","170","2","170","2","","","","","","","","5","I 1 2/a 1","-I 2ya","15","","","","- C29.25 H37.25 Mo N2.25 O4 -","- C29.25 H37.25 Mo N2.25 O4 -","- C234 H298 Mo8 N18 O32 -","8","1","","Hossain, M. K.; Haukka, M.; Sillanpää, R.; Hrovat, D. A.; Richmond, M. G.; Nordlander, E.; Lehtonen, A.","Syntheses and catalytic oxotransfer activities of oxo molybdenum(vi) complexes of a new aminoalcohol phenolate ligand","Dalton Trans.","2017","","","","","10.1039/C7DT00846E","","","0.71073","MoKα","","0.0694","0.0475","","","0.1174","0.1293","","","","","","1.063","","","","has coordinates,has disorder","196780","2020-10-21","18:00:00",""
"7043031","9.6952","0.0004","9.9564","0.0004","15.3036","0.0005","71.516","0.003","80.756","0.003","65.952","0.004","1278.59","0.1","170","2","170","2","","","","","","","","5","P -1","-P 1","2","","","","- C24 H35 Mo N O5 -","- C24 H35 Mo N O5 -","- C24 H35 Mo N O5 -","1","0.5","","Hossain, M. K.; Haukka, M.; Sillanpää, R.; Hrovat, D. A.; Richmond, M. G.; Nordlander, E.; Lehtonen, A.","Syntheses and catalytic oxotransfer activities of oxo molybdenum(vi) complexes of a new aminoalcohol phenolate ligand","Dalton Trans.","2017","","","","","10.1039/C7DT00846E","","","0.71073","MoKα","","0.0463","0.0363","","","0.0932","0.1003","","","","","","1.054","","","","has coordinates","196780","2020-10-21","18:00:00",""
"7043032","10.3699","0.0005","14.2034","0.0007","16.1757","0.0011","66.445","0.006","74.07","0.005","77.25","0.005","2083.4","0.2","120","2","120","2","","","","","","","","4","P -1","-P 1","2","","","","- C23 H33 N O2 -","- C23 H33 N O2 -","- C92 H132 N4 O8 -","4","2","","Hossain, M. K.; Haukka, M.; Sillanpää, R.; Hrovat, D. A.; Richmond, M. G.; Nordlander, E.; Lehtonen, A.","Syntheses and catalytic oxotransfer activities of oxo molybdenum(vi) complexes of a new aminoalcohol phenolate ligand","Dalton Trans.","2017","","","","","10.1039/C7DT00846E","","","1.54184","CuKα","","0.0659","0.0515","","","0.135","0.1502","","","","","","1.028","","","","has coordinates","196780","2020-10-21","18:00:00",""
"7043033","15.441","0.0002","12.2811","0.0002","31.7359","0.0005","90","","100.794","0.001","90","","5911.68","0.16","170","2","170","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C25 H37 Mo N O5 S -","- C25 H37 Mo N O5 S -","- C200 H296 Mo8 N8 O40 S8 -","8","2","","Hossain, M. K.; Haukka, M.; Sillanpää, R.; Hrovat, D. A.; Richmond, M. G.; Nordlander, E.; Lehtonen, A.","Syntheses and catalytic oxotransfer activities of oxo molybdenum(vi) complexes of a new aminoalcohol phenolate ligand","Dalton Trans.","2017","","","","","10.1039/C7DT00846E","","","0.71073","MoKα","","0.1079","0.0644","","","0.1274","0.1492","","","","","","1.062","","","","has coordinates","196780","2020-10-21","18:00:00",""
"7043034","13.1235","0.0015","14.7508","0.0008","14.4264","0.001","90","","107.15","0.009","90","","2668.5","0.4","180","2","180","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C27 H30 Br2 Co N4 -","- C27 H30 Br2 Co N4 -","- C108 H120 Br8 Co4 N16 -","4","1","","Liu, Jia-Jia; Meng, Yin-Shan; Hlavička, Ivo; Orlita, Milan; Jiang, ShangDa; Wang, Bing-Wu; Gao, Song","Determination of Zero-Field Splittings in Co2+ Halides Complexes with Magnetic and Far-IR Measurements","Dalton Trans.","2017","","","","","10.1039/C7DT01486D","","","0.71073","MoKα","","0.0606","0.0366","","","0.073","0.0809","","","","","","1.031","","","","has coordinates","196781","2020-10-21","18:00:00",""
"7043035","12.5631","0.0006","18.9466","0.0006","13.453","0.0005","90","","109.094","0.005","90","","3026","0.2","180","2","180","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C27 H31 Cl2 Co I2 N3 -","- C27 H31 Cl2 Co I2 N3 -","- C108 H124 Cl8 Co4 I8 N12 -","4","1","","Liu, Jia-Jia; Meng, Yin-Shan; Hlavička, Ivo; Orlita, Milan; Jiang, ShangDa; Wang, Bing-Wu; Gao, Song","Determination of Zero-Field Splittings in Co2+ Halides Complexes with Magnetic and Far-IR Measurements","Dalton Trans.","2017","","","","","10.1039/C7DT01486D","","","0.71073","MoKα","","0.0544","0.035","","","0.0738","0.0851","","","","","","1.063","","","","has coordinates","196781","2020-10-21","18:00:00",""
"7043036","11.7147","0.0004","15.0025","0.0005","16.4202","0.0005","90","","99.118","0.003","90","","2849.38","0.16","180","2","180","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C27 H31 Cl4 Co N3 -","- C27 H31 Cl4 Co N3 -","- C108 H124 Cl16 Co4 N12 -","4","1","","Liu, Jia-Jia; Meng, Yin-Shan; Hlavička, Ivo; Orlita, Milan; Jiang, ShangDa; Wang, Bing-Wu; Gao, Song","Determination of Zero-Field Splittings in Co2+ Halides Complexes with Magnetic and Far-IR Measurements","Dalton Trans.","2017","","","","","10.1039/C7DT01486D","","","0.71073","MoKα","","0.0456","0.0346","","","0.077","0.0831","","","","","","1.044","","","","has coordinates","196781","2020-10-21","18:00:00",""
"7043037","19.1157","0.0015","20.9966","0.0017","35.435","0.003","90","","97.521","0.002","90","","14100","2","100","2","100","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C96 H88 Cu8 N8 O34 -","- C96 H88 Cu8 N8 O34 -","- C384 H352 Cu32 N32 O136 -","4","1","","Gupta, Mayank; De, Dinesh; Pal, Sanchari; Pal, Tapan Kumar; Tomar, Kapil","A porous two-dimensional Zn(II)-coordination polymer exhibiting SC-SC transmetalation with Cu(II):efficient heterogeneous catalysis for the Henry reaction and detection of nitro explosives","Dalton Trans.","2017","","","","","10.1039/C7DT01074E","","","0.71073","MoKα","","0.0858","0.0518","","","0.1351","0.1454","","","","","","1.037","","","","has coordinates","196782","2020-10-21","18:00:00",""
"7043038","36.96","0.003","36.96","0.003","11.4658","0.0011","90","","90","","90","","15663","2","110","","110","","","","","","","","","7","I 41/a","-I 4ad","88","","","","- C36 H52 Ga N2 O2 P Si -","- C36 H52 Ga N2 O2 P Si -","- C576 H832 Ga16 N32 O32 P16 Si16 -","16","","","Balmer, Markus; Kapitein, Manuel; von Hänisch, Carsten","Improved reactivity of a cyclic 13/15 compound by increased steric demand","Dalton Trans.","2017","","","","","10.1039/C7DT00950J","","x-ray","0.71073","MoKα","","0.0666","0.0419","","","0.0849","0.0923","","","","","","1.011","","","","has coordinates,has disorder","196783","2020-10-21","18:00:00",""
"7043039","11.8035","0.0005","12.1037","0.0005","18.2645","0.0008","101.383","0.001","104.321","0.002","96.903","0.002","2439.01","0.18","110","","110","","","","","","","","","5","P -1","-P 1","2","","","","- C44 H84 Ga2 P2 Si2 -","- C44 H84 Ga2 P2 Si2 -","- C88 H168 Ga4 P4 Si4 -","2","1","","Balmer, Markus; Kapitein, Manuel; von Hänisch, Carsten","Improved reactivity of a cyclic 13/15 compound by increased steric demand","Dalton Trans.","2017","","","","","10.1039/C7DT00950J","","x-ray","0.71073","MoKα","","0.0274","0.0214","","","0.0476","0.0495","","","","","","1.045","","","","has coordinates","196783","2020-10-21","18:00:00",""
"7043040","13.201","0.0006","12.2926","0.0005","29.8776","0.0013","90","","96.708","0.002","90","","4815.2","0.4","100","","100","","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C49 H78 Ga N2 P Si -","- C49 H78 Ga N2 P Si -","- C196 H312 Ga4 N8 P4 Si4 -","4","1","","Balmer, Markus; Kapitein, Manuel; von Hänisch, Carsten","Improved reactivity of a cyclic 13/15 compound by increased steric demand","Dalton Trans.","2017","","","","","10.1039/C7DT00950J","","x-ray","0.71073","MoKα","","0.0714","0.0505","","","0.0884","0.0945","","","","","","1.086","","","","has coordinates","196783","2020-10-21","18:00:00",""
"7043041","18.7845","0.0007","22.0925","0.0009","26.3432","0.0011","94.041","0.001","91.976","0.002","105.366","0.002","10499.3","0.7","100","","100","","","","","","","","","6","P -1","-P 1","2","","","","- C43 H66 Ga N2 P Si -","- C43 H66 Ga N2 P Si -","- C344 H528 Ga8 N16 P8 Si8 -","8","4","","Balmer, Markus; Kapitein, Manuel; von Hänisch, Carsten","Improved reactivity of a cyclic 13/15 compound by increased steric demand","Dalton Trans.","2017","","","","","10.1039/C7DT00950J","","x-ray","0.71073","MoKα","","0.0705","0.0433","","","0.0925","0.1005","","","","","","1.029","","","","has coordinates,has disorder","196783","2020-10-21","18:00:00",""
"7043042","9.9548","0.0005","12.7363","0.0006","14.9374","0.0007","75.424","0.002","87.916","0.002","69.4","0.002","1712.87","0.15","240","","240","","","","","","","","","6","P -1","-P 1","2","","","","- C31 H49 Ga N2 P Si -","- C30.997 H49 Ga N2 P Si -","- C61.994 H98 Ga2 N4 P2 Si2 -","2","1","","Balmer, Markus; Kapitein, Manuel; von Hänisch, Carsten","Improved reactivity of a cyclic 13/15 compound by increased steric demand","Dalton Trans.","2017","","","","","10.1039/C7DT00950J","","x-ray","0.71073","MoKα","","0.0461","0.0371","","","0.0978","0.1029","","","","","","1.032","","","","has coordinates,has disorder","196783","2020-10-21","18:00:00",""
"7043043","7.5623","0.0009","6.3355","0.0006","13.6245","0.0015","90","","104.307","0.003","90","","632.52","0.12","173","2","173","2","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C10 H12 Cu F N3 O3 -","- C10 H12 Cu F N3 O3 -","- C20 H24 Cu2 F2 N6 O6 -","2","1","","Liu, Xiangyu; Ma, Xiaohui; Cen, Peipei; Wu, Yuewei; Zhang, Chengcheng; Shi, Quan; Song, Weiming; Xie, Gang; Chen, Sanping","Substituent effect of phenylacetic acid coligands perturbed structures and magnetic properties observed in two triple-bridged azido-Cu(II) chain compounds with ferromagnetic ordering and slow magnetic relaxation","Dalton Trans.","2017","","","","","10.1039/C7DT01338H","","","0.71073","MoKα","","0.0788","0.0424","","","0.0566","0.0629","","","","","","1.022","","","","has coordinates,has disorder","196784","2020-10-21","18:00:00",""
"7043044","7.6149","0.0018","6.433","0.0015","13.355","0.003","90","","99.363","0.003","90","","645.5","0.3","293","2","293","2","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C10 H12 Cu F N3 O3 -","- C10 H12 Cu F N3 O3 -","- C20 H24 Cu2 F2 N6 O6 -","2","1","","Liu, Xiangyu; Ma, Xiaohui; Cen, Peipei; Wu, Yuewei; Zhang, Chengcheng; Shi, Quan; Song, Weiming; Xie, Gang; Chen, Sanping","Substituent effect of phenylacetic acid coligands perturbed structures and magnetic properties observed in two triple-bridged azido-Cu(II) chain compounds with ferromagnetic ordering and slow magnetic relaxation","Dalton Trans.","2017","","","","","10.1039/C7DT01338H","","","0.71073","MoKα","","0.0702","0.042","","","0.089","0.099","","","","","","1.011","","","","has coordinates","196784","2020-10-21","18:00:00",""
"7043045","7.9917","0.0004","15.0923","0.0008","8.3426","0.0005","90","","106.381","0.002","90","","965.38","0.09","173","2","173","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","Cu(14-TMC)(NO3)2","","","- C14 H32 Cu N6 O6 -","- C14 H32 Cu N6 O6 -","- C28 H64 Cu2 N12 O12 -","2","0.5","","Derrick, Jeffrey Scott; Kim, Yujeong; Tak, Hyeonwoo; Park, Kiyoung; Cho, Jaeheung; Kim, Sun Hee; Lim, Mi Hee","Stereochemistry of metal tetramethylcyclam complexes directed by an unexpected anion effect","Dalton Trans.","2017","","","","","10.1039/C7DT01489A","","","0.71073","MoKa","","0.0343","0.0264","","","0.0883","0.0977","","","","","","0.801","","","","has coordinates","196812","2020-10-21","18:00:00",""
"7043046","21.075","0.002","17","0.002","21.788","0.003","90","","107.71","0.02","90","","7436.2","1.7","100","2","100","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C39.5 H55.92 B Cl N2 -","- C39.5 H56 B Cl N2 -","- C316 H448 B8 Cl8 N16 -","8","2","","Ghadwal, Rajendra S.; Lamm, Jan-Hendrik; Rottschaefer, Dennis; Schürmann, Christian J.; Demeshko, Serhiy","Facile Routes to Abnormal-NHC-Cobalt(II) Complexes","Dalton Trans.","2017","","","","","10.1039/C7DT01778B","","","0.71073","MoKα","","0.0598","0.0421","","","0.0964","0.1068","","","","","","1.015","","","","has coordinates,has disorder","196813","2020-10-21","18:00:00",""
"7043047","13.047","0.002","19.641","0.002","20.141","0.003","85.11","0.02","79.66","0.02","89.9","0.02","5058.5","1.3","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","","","- C45 H76 Co N4 Si4 -","- C45 H76 Co N4 Si4 -","- C180 H304 Co4 N16 Si16 -","4","2","","Ghadwal, Rajendra S.; Lamm, Jan-Hendrik; Rottschaefer, Dennis; Schürmann, Christian J.; Demeshko, Serhiy","Facile Routes to Abnormal-NHC-Cobalt(II) Complexes","Dalton Trans.","2017","","","","","10.1039/C7DT01778B","","","0.56086","AgKα","","0.0406","0.0299","","","0.0707","0.0769","","","","","","1.031","","","","has coordinates,has disorder","196813","2020-10-21","18:00:00",""
"7043048","10.437","0.002","21.065","0.003","30.004","0.003","90.142","0.002","91.419","0.002","90.082","0.002","6594.5","1.7","100","2","100","2","","","","","","","","6","P -1","-P 1","2","","","","- C70.5 H87.5 Co I2 N4 O0.75 -","- C70.5 H87.5 Co I2 N4 O0.75 -","- C282 H350 Co4 I8 N16 O3 -","4","2","","Ghadwal, Rajendra S.; Lamm, Jan-Hendrik; Rottschaefer, Dennis; Schürmann, Christian J.; Demeshko, Serhiy","Facile Routes to Abnormal-NHC-Cobalt(II) Complexes","Dalton Trans.","2017","","","","","10.1039/C7DT01778B","","","0.56086","AgKα","","0.0535","0.0343","","","0.0677","0.0743","","","","","","1.032","","","","has coordinates,has disorder","196813","2020-10-21","18:00:00",""
"7043049","17.3114","0.0019","14.2963","0.0019","5.2538","0.0006","90","","90","","90","","1300.3","0.3","295","2","295","2","","","","","","","","5","P n m a","-P 2ac 2n","62","","Co(CO3)(MeIm)2.2H2O","","- C9 H16 Co N4 O5 -","- C9 H16 Co N4 O5 -","- C36 H64 Co4 N16 O20 -","4","0.5","","Vaid, Thomas; Kelley, Steven Paul; Rogers, Robin D.","Metal Carbonate Complexes Formed Through the Capture of Ambient O2 and CO2 by Elemental Metals in 1-methylimidazole: Molecular Cu(CO3)(MeIm)3 and Polymeric M(CO3)(MeIm)2·2H2O (M = Co, Zn)","Dalton Trans.","2017","","","","","10.1039/C7DT01787A","","","0.71073","MoKα","","0.0447","0.0306","","","0.0814","0.0871","","","","","","1.036","","","","has coordinates","196814","2020-10-21","18:00:00",""
"7043050","17.309","0.002","14.231","0.0016","5.2931","0.0006","90","","90","","90","","1303.8","0.3","295","2","295","2","","","","","","","","5","P n m a","-P 2ac 2n","62","","Zn(CO3)(MeIm)2.2H2O","","- C9 H16 N4 O5 Zn -","- C9 H16 N4 O5 Zn -","- C36 H64 N16 O20 Zn4 -","4","0.5","","Vaid, Thomas; Kelley, Steven Paul; Rogers, Robin D.","Metal Carbonate Complexes Formed Through the Capture of Ambient O2 and CO2 by Elemental Metals in 1-methylimidazole: Molecular Cu(CO3)(MeIm)3 and Polymeric M(CO3)(MeIm)2·2H2O (M = Co, Zn)","Dalton Trans.","2017","","","","","10.1039/C7DT01787A","","","1.54178","CuKα","","0.0483","0.0431","","","0.1095","0.1137","","","","","","1.121","","","","has coordinates","196814","2020-10-21","18:00:00",""
"7043051","13.232","0.004","8.981","0.003","13.232","0.004","90","","93.292","0.004","90","","1569.9","0.9","100","2","100","2","","","","","","","","5","C 1 c 1","C -2yc","9","","Cu(CO3)(1-methylimidazole)3","","- C13 H18 Cu N6 O3 -","- C13 H18 Cu N6 O3 -","- C52 H72 Cu4 N24 O12 -","4","1","","Vaid, Thomas; Kelley, Steven Paul; Rogers, Robin D.","Metal Carbonate Complexes Formed Through the Capture of Ambient O2 and CO2 by Elemental Metals in 1-methylimidazole: Molecular Cu(CO3)(MeIm)3 and Polymeric M(CO3)(MeIm)2·2H2O (M = Co, Zn)","Dalton Trans.","2017","","","","","10.1039/C7DT01787A","","","0.71073","MoKα","","0.0318","0.0283","","","0.0615","0.0628","","","","","","1.028","","","","has coordinates","196814","2020-10-21","18:00:00",""
"7043052","21.253","0.0014","12.8028","0.0008","10.0452","0.0007","90","","90","","90","","2733.3","0.3","100","2","100","2","","","","","","","","7","P n a 21","P 2c -2n","33","","","","- C64 H58 Cl4 N4 O P2 Rh2 -","- C64 H58 Cl4 N4 O P2 Rh2 -","- C128 H116 Cl8 N8 O2 P4 Rh4 -","2","0.5","","Carmona, Daniel; Carmona, María; Rodríguez, Ricardo; Méndez, Isabel; Passarelli, Vincenzo; Lahoz, Fernando J.; García-Orduña, Pilar","Stereospecific control of the metal-centred chirality of rhodium(III) and iridium(III) complexes bearing tetradentate CNN’P ligands","Dalton Trans.","2017","","","","","10.1039/C7DT01446E","","","0.71073","MoKα","","0.0519","0.0363","","","0.0703","0.0757","","","","","","1.014","","","","has coordinates,has disorder","196815","2020-10-21","18:00:00",""
"7043053","7.5392","0.0005","11.6573","0.0007","19.4298","0.0012","77.272","0.001","89.893","0.001","88.693","0.001","1665.22","0.18","100","2","100","2","","","","","","","","7","P -1","-P 1","2","","","","- C34 H30 Cl5 F3 N2 P Rh -","- C34 H30 Cl5 F3 N2 P Rh -","- C68 H60 Cl10 F6 N4 P2 Rh2 -","2","1","","Carmona, Daniel; Carmona, María; Rodríguez, Ricardo; Méndez, Isabel; Passarelli, Vincenzo; Lahoz, Fernando J.; García-Orduña, Pilar","Stereospecific control of the metal-centred chirality of rhodium(III) and iridium(III) complexes bearing tetradentate CNN’P ligands","Dalton Trans.","2017","","","","","10.1039/C7DT01446E","","","0.71073","MoKα","","0.0574","0.0443","","","0.1016","0.1112","","","","","","1.08","","","","has coordinates","196815","2020-10-21","18:00:00",""
"7043054","10.1484","0.0005","10.2653","0.0005","17.2027","0.0009","94.409","0.001","99.214","0.001","117.854","0.001","1540.23","0.13","100","2","100","2","","","","","","","","6","P -1","-P 1","2","","","","- C33 H31 Cl5 N2 P Rh -","- C33 H31 Cl5 N2 P Rh -","- C66 H62 Cl10 N4 P2 Rh2 -","2","1","","Carmona, Daniel; Carmona, María; Rodríguez, Ricardo; Méndez, Isabel; Passarelli, Vincenzo; Lahoz, Fernando J.; García-Orduña, Pilar","Stereospecific control of the metal-centred chirality of rhodium(III) and iridium(III) complexes bearing tetradentate CNN’P ligands","Dalton Trans.","2017","","","","","10.1039/C7DT01446E","","","0.71073","MoKα","","0.0354","0.028","","","0.0694","0.0734","","","","","","1.045","","","","has coordinates","196815","2020-10-21","18:00:00",""
"7043055","13.3199","0.0006","11.382","0.0005","20.6691","0.0009","90","","90","","90","","3133.6","0.2","100","2","100","2","","","","","","","","8","P c a 21","P 2c -2ac","29","","","","- C33 H28 Cl2 F3 N2 O0.5 P Rh -","- C33 H27 Cl2 F3 N2 O0.493 P Rh -","- C132 H108 Cl8 F12 N8 O1.972 P4 Rh4 -","4","1","","Carmona, Daniel; Carmona, María; Rodríguez, Ricardo; Méndez, Isabel; Passarelli, Vincenzo; Lahoz, Fernando J.; García-Orduña, Pilar","Stereospecific control of the metal-centred chirality of rhodium(III) and iridium(III) complexes bearing tetradentate CNN’P ligands","Dalton Trans.","2017","","","","","10.1039/C7DT01446E","","","0.71073","MoKα","","0.0216","0.0207","","","0.0556","0.0563","","","","","","0.974","","","","has coordinates,has disorder","196815","2020-10-21","18:00:00",""
"7043056","12.2144","0.0007","10.5575","0.0006","13.2353","0.0008","90","","93.958","0.001","90","","1702.67","0.17","100","2","100","2","","","","","","","","7","P 1 21 1","P 2yb","4","","","","- C35 H34 Cl6 N2 O P Rh -","- C35 H34 Cl6 N2 O P Rh -","- C70 H68 Cl12 N4 O2 P2 Rh2 -","2","1","","Carmona, Daniel; Carmona, María; Rodríguez, Ricardo; Méndez, Isabel; Passarelli, Vincenzo; Lahoz, Fernando J.; García-Orduña, Pilar","Stereospecific control of the metal-centred chirality of rhodium(III) and iridium(III) complexes bearing tetradentate CNN’P ligands","Dalton Trans.","2017","","","","","10.1039/C7DT01446E","","","0.71073","MoKα","","0.0722","0.0652","","","0.1659","0.1729","","","","","","1.107","","","","has coordinates,has disorder","196815","2020-10-21","18:00:00",""
"7043057","16.3535","0.0007","9.8273","0.0004","19.2962","0.0009","90","","100.978","0.001","90","","3044.4","0.2","100","2","100","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C33 H30 Cl4 Ir N2 P -","- C33 H30 Cl4 Ir N2 P -","- C132 H120 Cl16 Ir4 N8 P4 -","4","1","","Carmona, Daniel; Carmona, María; Rodríguez, Ricardo; Méndez, Isabel; Passarelli, Vincenzo; Lahoz, Fernando J.; García-Orduña, Pilar","Stereospecific control of the metal-centred chirality of rhodium(III) and iridium(III) complexes bearing tetradentate CNN’P ligands","Dalton Trans.","2017","","","","","10.1039/C7DT01446E","","","0.71073","MoKα","","0.033","0.0287","","","0.0605","0.0631","","","","","","1.057","","","","has coordinates,has disorder","196815","2020-10-21","18:00:00",""
"7043058","12.0671","0.0005","32.4681","0.0014","12.0173","0.0005","90","","90","","90","","4708.3","0.3","150","","150","","","","","","","","","6","P 21 21 2","P 2 2ab","18","","","","- C53 H38.5 B2.5 Cl F5 N15 -","- C53 H38.5 B2.5 Cl F5 N15 -","- C212 H154 B10 Cl4 F20 N60 -","4","1","","Trommenschlager, Audrey; Chotard, Florian; Bertrand, Benoît; Amor, Souheila; Dondaine, Lucile; Picquet, Michel; Richard, Philippe; Bettaeib, Ali; Le Gendre, Pierre; Paul, Catherine; Goze, Christine; Bodio, Ewen","Gold(I)-BODIPY-imidazole bimetallic complexes as new potential anti-inflammatory and anticancer trackable agents","Dalton Trans.","2017","","","","","10.1039/C7DT01377A","","x-ray","0.71073","MoKα","K-L~3~","0.0685","0.0538","","","0.13","0.138","","","","","","1.071","","","","has coordinates,has disorder","196890","2020-10-21","18:00:00",""
"7043059","14.281","0.003","14.491","0.003","27.124","0.005","90","","90","","90","","5613","2","133","2","133","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C56 H88 Mo N2 O S4 -","- C56 H88 Mo N2 O S4 -","- C224 H352 Mo4 N8 O4 S16 -","4","1","","Ghosh, Ashta Chandra; Samuel, Prinson P.; Schulzke, Carola","Synthesis, characterization and oxygen atom transfer reactivity of a pair of Mo(IV)O- and Mo(VI)O2-enedithiolate complexes ‒ a look at both ends of the catalytic transformation","Dalton Trans.","2017","","","","","10.1039/C7DT01470H","","","0.71073","MoKα","","0.0362","0.0305","","","0.069","0.0706","","","","","","1.01","","","","has coordinates","196891","2020-10-21","18:00:00",""
"7043060","8.7746","0.0004","11.0588","0.0005","18.2168","0.0008","83.689","0.002","82.032","0.002","79.558","0.002","1715.1","0.13","213","2","213","2","","","","","","","","6","P -1","-P 1","2","","","","- C37 H45 N2 Ni O4 P -","- C37 H45 N2 Ni O4 P -","- C74 H90 N4 Ni2 O8 P2 -","2","1","","Rull, Silvia; Rama, Raquel J.; Álvarez, Eleuterio; Fructos, Manuel R.; Belderrain, Tomas R.; Nicasio, M. Carmen","Phosphine-functionalized NHC Ni(II) and Ni(0) complexes: synthesis, characterization and catalytic properties","Dalton Trans.","2017","","","","","10.1039/C7DT01805C","","","0.71073","MoKα","","0.057","0.0393","","","0.1056","0.113","","","","","","1.043","","","","has coordinates","196892","2020-10-21","18:00:00",""
"7043061","10.86235","0.00011","18.91698","0.00018","19.27237","0.00018","90","","90.4081","0.0009","90","","3960.04","0.07","100","0.1","100","0.1","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C40 H51 Li N2 O7 W -","- C40 H51 Li N2 O7 W -","- C160 H204 Li4 N8 O28 W4 -","4","1","","Ghadwal, Rajendra S.; Rottschaefer, Dennis; Andrada, Diego Marcelo; Frenking, G.; Schürmann, Christian J.; Stammler, Georg","Normal-to-Abnormal Rearrangement of an N-Heterocyclic Carbene with a Silylene Transition Metal Complex","Dalton Trans.","2017","","","","","10.1039/C7DT01199G","","x-ray","0.71073","MoKα","","0.0275","0.0212","","","0.0465","0.0486","","","","","","1.086","","","","has coordinates,has disorder","196893","2020-10-21","18:00:00",""
"7043062","11.25","0.002","13.869","0.002","19.759","0.003","90","","90","","90","","3082.9","0.8","100","2","100","2","","","","","","","","5","C m c m","-C 2c 2","63","","","","- C32 H36 N2 O5 W -","- C32 H36 N2 O5 W -","- C128 H144 N8 O20 W4 -","4","0.25","","Ghadwal, Rajendra S.; Rottschaefer, Dennis; Andrada, Diego Marcelo; Frenking, G.; Schürmann, Christian J.; Stammler, Georg","Normal-to-Abnormal Rearrangement of an N-Heterocyclic Carbene with a Silylene Transition Metal Complex","Dalton Trans.","2017","","","","","10.1039/C7DT01199G","","","0.56086","AgKα","","0.0137","0.0128","","","0.0305","0.0308","","","","","","1.112","","","","has coordinates","196893","2020-10-21","18:00:00",""
"7043063","10.587","0.002","19.36","0.002","21.345","0.003","90","","102.83","0.02","90","","4265.7","1.1","98","2","98","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C44 H49 Cl N2 O5 W -","- C44 H49 Cl N2 O5 W -","- C176 H196 Cl4 N8 O20 W4 -","4","1","","Ghadwal, Rajendra S.; Rottschaefer, Dennis; Andrada, Diego Marcelo; Frenking, G.; Schürmann, Christian J.; Stammler, Georg","Normal-to-Abnormal Rearrangement of an N-Heterocyclic Carbene with a Silylene Transition Metal Complex","Dalton Trans.","2017","","","","","10.1039/C7DT01199G","","","0.71073","MoKα","","0.0586","0.037","","","0.0645","0.069","","","","","","1.075","","","","has coordinates","196893","2020-10-21","18:00:00",""
"7043064","12.696","0.002","16.539","0.003","16.499","0.003","90","","103.35","0.02","90","","3370.8","1.1","100","2","100","2","","","","","","","","7","P 1 n 1","P -2yac","7","","","","- C64 H79 Cl6 N5 O4 Si2 W -","- C64 H79 Cl6 N5 O4 Si2 W -","- C128 H158 Cl12 N10 O8 Si4 W2 -","2","1","","Ghadwal, Rajendra S.; Rottschaefer, Dennis; Andrada, Diego Marcelo; Frenking, G.; Schürmann, Christian J.; Stammler, Georg","Normal-to-Abnormal Rearrangement of an N-Heterocyclic Carbene with a Silylene Transition Metal Complex","Dalton Trans.","2017","","","","","10.1039/C7DT01199G","","","0.71073","MoKα","","0.0196","0.0185","","","0.0442","0.0447","","","","","","1.043","","","","has coordinates,has disorder","196893","2020-10-21","18:00:00",""
"7043065","12.434","0.002","48.155","0.004","16.728","0.002","90","","105.65","0.03","90","","9645","3","100","2","100","2","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C45 H57 Cl6 Cr0.75 N3 O3 Si1.5 -","- C45 H57 Cl6 Cr0.75 N3 O3 Si1.5 -","- C360 H456 Cl48 Cr6 N24 O24 Si12 -","8","2","","Ghadwal, Rajendra S.; Rottschaefer, Dennis; Andrada, Diego Marcelo; Frenking, G.; Schürmann, Christian J.; Stammler, Georg","Normal-to-Abnormal Rearrangement of an N-Heterocyclic Carbene with a Silylene Transition Metal Complex","Dalton Trans.","2017","","","","","10.1039/C7DT01199G","","","0.71073","MoKα","","0.0675","0.043","","","0.0887","0.0983","","","","","","1.032","","","","has coordinates,has disorder","196893","2020-10-21","18:00:00",""
"7043066","12.193","0.002","13.362","0.002","14.396","0.003","105.95","0.02","105.03","0.02","110.55","0.02","1939.8","0.9","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","","","- C42.5 H48 N2 O5 W -","- C42.5 H48 N2 O5 W -","- C85 H96 N4 O10 W2 -","2","1","","Ghadwal, Rajendra S.; Rottschaefer, Dennis; Andrada, Diego Marcelo; Frenking, G.; Schürmann, Christian J.; Stammler, Georg","Normal-to-Abnormal Rearrangement of an N-Heterocyclic Carbene with a Silylene Transition Metal Complex","Dalton Trans.","2017","","","","","10.1039/C7DT01199G","","","0.71073","MoKα","","0.024","0.0211","","","0.0486","0.0494","","","","","","1.053","","","","has coordinates,has disorder","196893","2020-10-21","18:00:00",""
"7043067","11.4411","0.0006","13.894","0.0009","16.9772","0.0009","90","","90","","90","","2698.7","0.3","150","2","150","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C21 H44 Fe Ge O Si3 -","- C21 H44 Fe Ge O Si3 -","- C84 H176 Fe4 Ge4 O4 Si12 -","4","1","","Dhungana, Tara Prasad; Hashimoto, Hisako; Tobita, Hiromi","An Iron Germylene Complex Having Fe-H and Ge-H Bonds: Synthesis, Structure and Reactivity","Dalton Trans.","2017","","","","","10.1039/C7DT01159H","","","0.71073","MoKα","","0.0519","0.0462","","","0.0997","0.1024","","","","","","1.081","","","","has coordinates","196920","2020-10-21","18:00:00",""
"7043068","16.4196","0.0008","23.5939","0.0008","9.1101","0.0003","90","","90","","90","","3529.3","0.2","140","2","140","2","","","","","","","","7","P n a 21","P 2c -2n","33","","","","- C31 H55 Fe Ge N O2 Si3 -","- C31 H55 Fe Ge N O2 Si3 -","- C124 H220 Fe4 Ge4 N4 O8 Si12 -","4","1","","Dhungana, Tara Prasad; Hashimoto, Hisako; Tobita, Hiromi","An Iron Germylene Complex Having Fe-H and Ge-H Bonds: Synthesis, Structure and Reactivity","Dalton Trans.","2017","","","","","10.1039/C7DT01159H","","","0.71073","MoKα","","0.0521","0.0444","","","0.0951","0.0989","","","","","","1.069","","","","has coordinates","196920","2020-10-21","18:00:00",""
"7043069","8.9028","0.0005","25.0183","0.0011","15.9058","0.0006","90","","91.6874","0.0014","90","","3541.2","0.3","150","2","150","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C31 H56 Fe Ge O2 Si3 -","- C31 H55 Fe Ge O2 Si3 -","- C124 H220 Fe4 Ge4 O8 Si12 -","4","1","","Dhungana, Tara Prasad; Hashimoto, Hisako; Tobita, Hiromi","An Iron Germylene Complex Having Fe-H and Ge-H Bonds: Synthesis, Structure and Reactivity","Dalton Trans.","2017","","","","","10.1039/C7DT01159H","","","0.71073","MoKα","","0.0825","0.0635","","","0.1053","0.1108","","","","","","1.164","","","","has coordinates,has disorder","196920","2020-10-21","18:00:00",""
"7043070","12.8979","0.0006","16.6926","0.0006","17.0382","0.0007","90","","97.6371","0.0013","90","","3635.8","0.3","150","2","150","2","","","","","","","","8","P 1 21/c 1","-P 2ybc","14","","","","- C31 H55 Fe Ge N O S Si3 -","- C31 H55 Fe Ge N O S Si3 -","- C124 H220 Fe4 Ge4 N4 O4 S4 Si12 -","4","1","","Dhungana, Tara Prasad; Hashimoto, Hisako; Tobita, Hiromi","An Iron Germylene Complex Having Fe-H and Ge-H Bonds: Synthesis, Structure and Reactivity","Dalton Trans.","2017","","","","","10.1039/C7DT01159H","","","0.71073","MoKα","","0.0539","0.0431","","","0.1287","0.1367","","","","","","1.044","","","","has coordinates","196920","2020-10-21","18:00:00",""
"7043071","8.4986","0.0004","18.5971","0.001","20.0553","0.0009","90","","100.553","0.0011","90","","3116.1","0.3","140","2","140","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C26 H49 Fe Ge N O Si3 -","- C26 H48 Fe Ge N O Si3 -","- C104 H192 Fe4 Ge4 N4 O4 Si12 -","4","1","","Dhungana, Tara Prasad; Hashimoto, Hisako; Tobita, Hiromi","An Iron Germylene Complex Having Fe-H and Ge-H Bonds: Synthesis, Structure and Reactivity","Dalton Trans.","2017","","","","","10.1039/C7DT01159H","","","0.71073","MoKα","","0.0543","0.0452","","","0.143","0.1487","","","","","","1.146","","","","has coordinates","196920","2020-10-21","18:00:00",""
"7043072","32.8319","0.0014","12.2428","0.0005","20.4141","0.0009","90","","109.345","0.002","90","","7742.3","0.6","140","2","140","2","","","","","","","","7","C 1 2/c 1","-C 2yc","15","","","","- C34.5 H59 Fe Ge N O Si3 -","- C34.5 H59 Fe Ge1.005 N O Si3 -","- C276 H472 Fe8 Ge8.04 N8 O8 Si24 -","8","1","","Dhungana, Tara Prasad; Hashimoto, Hisako; Tobita, Hiromi","An Iron Germylene Complex Having Fe-H and Ge-H Bonds: Synthesis, Structure and Reactivity","Dalton Trans.","2017","","","","","10.1039/C7DT01159H","","","0.71069","MoKα","","0.1019","0.0753","","","0.1393","0.1484","","","","","","1.185","","","","has coordinates,has disorder","196920","2020-10-21","18:00:00",""
"7043073","8.6833","0.0007","12.771","0.001","17.5545","0.0009","77.427","0.002","86.298","0.003","80.826","0.002","1874.8","0.2","150","2","150","2","","","","","","","","7","P -1","-P 1","2","","","","- C35 H57 Fe Ge N O2 Si3 -","- C35 H57 Fe Ge N O2 Si3 -","- C70 H114 Fe2 Ge2 N2 O4 Si6 -","2","1","","Dhungana, Tara Prasad; Hashimoto, Hisako; Tobita, Hiromi","An Iron Germylene Complex Having Fe-H and Ge-H Bonds: Synthesis, Structure and Reactivity","Dalton Trans.","2017","","","","","10.1039/C7DT01159H","","","0.71073","MoKα","","0.0487","0.0412","","","0.0933","0.097","","","","","","1.059","","","","has coordinates,has disorder","196920","2020-10-21","18:00:00",""
"7043074","12.1474","0.0005","18.7624","0.0007","20.9552","0.0008","90.111","0.0019","96.7631","0.0018","93.5378","0.0019","4733.5","0.3","170","2","170","2","","","","","","","","9","P -1","-P 1","2","4b","","","- C152 H182 Cl4 F24 N22 Ni2 O44 Rh8 S8 -","- C148 H166 F24 N22 Ni2 O40 Rh8 S8 -","- C148 H166 F24 N22 Ni2 O40 Rh8 S8 -","1","0.5","","Jin, Guo-Xin; Guo, Bei-Bei; Lin, Yue-Jian","Controllable Construction of Half-sandwich Octanuclear Cages Based on Pyridyl-substituted Ligands with Conjugated Centers","Dalton Trans.","2017","","","","","10.1039/C7DT00836H","","","1.54178","CuKα","","0.1107","0.0823","","","0.2153","0.2331","","","","","","1.051","","","","has coordinates","196921","2020-10-21","18:00:00",""
"7043075","12.4501","0.0015","19.268","0.005","21.042","0.003","104.18","0.02","94.641","0.013","100.406","0.014","4771.8","1.6","173","2","173","2","","","","","","","","8","P -1","-P 1","2","6","","","- C164 H184 Cl8 F24 N8 O30 Rh8 S8 -","- C155 H164 Cl8 F9 N8 O9 Rh8 S3 -","- C155 H164 Cl8 F9 N8 O9 Rh8 S3 -","1","0.5","","Jin, Guo-Xin; Guo, Bei-Bei; Lin, Yue-Jian","Controllable Construction of Half-sandwich Octanuclear Cages Based on Pyridyl-substituted Ligands with Conjugated Centers","Dalton Trans.","2017","","","","","10.1039/C7DT00836H","","","1.54178","CuKα","","0.1244","0.1126","","","0.297","0.3021","","","","","","1.062","","","","has coordinates,has disorder","196921","2020-10-21","18:00:00",""
"7043076","11.9791","0.0007","19.0988","0.001","21.526","0.0011","89.438","0.003","83.265","0.003","83.267","0.003","4857.1","0.5","150","2","150","2","","","","","","","","9","P -1","-P 1","2","4a","","","- C148 H178 Cl8 F24 N26 Ni2 O24 Rh8 S8 -","- C142 H172 Cl8 F18 N24 Ni2 O18 Rh8 S6 -","- C142 H172 Cl8 F18 N24 Ni2 O18 Rh8 S6 -","1","0.5","","Jin, Guo-Xin; Guo, Bei-Bei; Lin, Yue-Jian","Controllable Construction of Half-sandwich Octanuclear Cages Based on Pyridyl-substituted Ligands with Conjugated Centers","Dalton Trans.","2017","","","","","10.1039/C7DT00836H","","","1.54178","CuKα","","0.1278","0.1035","","","0.2789","0.2944","","","","","","1.082","","","","has coordinates","196921","2020-10-21","18:00:00",""
"7043077","12.0423","0.0005","18.795","0.0007","21.1589","0.0008","89.3467","0.0016","83.4094","0.0017","86.6129","0.0016","4749","0.3","150","2","150","2","","","","","","","","8","P -1","-P 1","2","5b","","","- C154 H180 F24 N24 O42 Pd2 Rh8 S8 -","- C146 H166 F18 N22 O34 Pd2 Rh8 S6 -","- C146 H166 F18 N22 O34 Pd2 Rh8 S6 -","1","0.5","","Jin, Guo-Xin; Guo, Bei-Bei; Lin, Yue-Jian","Controllable Construction of Half-sandwich Octanuclear Cages Based on Pyridyl-substituted Ligands with Conjugated Centers","Dalton Trans.","2017","","","","","10.1039/C7DT00836H","","","1.54178","CuKα","","0.0937","0.0832","","","0.2132","0.2201","","","","","","1.054","","","","has coordinates","196921","2020-10-21","18:00:00",""
"7043078","9.9931","0.0008","10.7906","0.0009","13.4208","0.0007","100.423","0.016","91.737","0.016","100.596","0.015","1396","0.2","293","2","293","2","","","","","","","","6","P -1","-P 1","2","","","","- C44 H56 Cu2 Lu2 N22 O10 -","- C44 H56 Cu2 Lu2 N22 O10 -","- C44 H56 Cu2 Lu2 N22 O10 -","1","0.5","","Huang, Xing-Cai; Zhao, Xin-Hua; Shao, Dong; Wang, Xin-Yi","Syntheses, structures, and magnetic properties of a family of end-on azido-bridged CuII‒LnIII complexes","Dalton Trans.","2017","","","","","10.1039/C7DT01167A","","","0.71073","MoKα","","0.0539","0.0397","","","0.0945","0.1029","","","","","","1.038","","","","has coordinates,has disorder","198634","2020-10-21","18:00:00",""
"7043079","12.254","0.002","12.594","0.002","19.666","0.004","76.546","0.003","87.219","0.003","64.86","0.003","2667.7","0.8","293","2","293","2","","","","","","","","6","P -1","-P 1","2","CuCevaldmpnN3","","","- C43 H52 Ce2 Cu2 N22 O9 -","- C43 H52 Ce2 Cu2 N22 O9 -","- C86 H104 Ce4 Cu4 N44 O18 -","2","1","","Huang, Xing-Cai; Zhao, Xin-Hua; Shao, Dong; Wang, Xin-Yi","Syntheses, structures, and magnetic properties of a family of end-on azido-bridged CuII‒LnIII complexes","Dalton Trans.","2017","","","","","10.1039/C7DT01167A","","","0.71073","MoKα","","0.0737","0.0463","","","0.0904","0.1011","","","","","","0.988","","","","has coordinates","196922","2020-10-21","18:00:00",""
"7043080","12.2038","0.0016","12.5702","0.0016","19.689","0.003","76.538","0.002","87.325","0.002","65.045","0.002","2658.6","0.6","293","2","293","2","","","","","","","","6","P -1","-P 1","2","CuPrvaldmpnN3","","","- C43 H52 Cu2 N22 O9 Pr2 -","- C43 H52 Cu2 N22 O9 Pr2 -","- C86 H104 Cu4 N44 O18 Pr4 -","2","1","","Huang, Xing-Cai; Zhao, Xin-Hua; Shao, Dong; Wang, Xin-Yi","Syntheses, structures, and magnetic properties of a family of end-on azido-bridged CuII‒LnIII complexes","Dalton Trans.","2017","","","","","10.1039/C7DT01167A","","","0.71073","MoKα","","0.0498","0.0361","","","0.0789","0.0851","","","","","","1.02","","","","has coordinates","196922","2020-10-21","18:00:00",""
"7043081","22.205","0.006","9.666","0.002","25.926","0.007","90","","109.841","0.003","90","","5234","2","293","2","293","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","CuHovaldmpnN3","","","- C43 H52 Cu2 Ho2 N22 O9 -","- C43 H52 Cu2 Ho2 N22 O9 -","- C172 H208 Cu8 Ho8 N88 O36 -","4","0.5","","Huang, Xing-Cai; Zhao, Xin-Hua; Shao, Dong; Wang, Xin-Yi","Syntheses, structures, and magnetic properties of a family of end-on azido-bridged CuII‒LnIII complexes","Dalton Trans.","2017","","","","","10.1039/C7DT01167A","","","0.71073","MoKα","","0.0304","0.0271","","","0.0644","0.0657","","","","","","1.172","","","","has coordinates","198634","2020-10-21","18:00:00",""
"7043082","9.9","0.003","10.778","0.003","13.432","0.004","99.895","0.008","91.177","0.007","100.921","0.007","1384.2","0.7","293","2","293","2","","","","","","","","6","P -1","-P 1","2","CuDyvaldmpnN3","","","- C44 H56 Cu2 Dy2 N22 O10 -","- C44 H56 Cu2 Dy2 N22 O10 -","- C44 H56 Cu2 Dy2 N22 O10 -","1","0.5","","Huang, Xing-Cai; Zhao, Xin-Hua; Shao, Dong; Wang, Xin-Yi","Syntheses, structures, and magnetic properties of a family of end-on azido-bridged CuII‒LnIII complexes","Dalton Trans.","2017","","","","","10.1039/C7DT01167A","","","0.71073","MoKα","","0.037","0.0259","","","0.0618","0.0643","","","","","","1.032","","","","has coordinates,has disorder","198634","2020-10-21","18:00:00",""
"7043083","12.347","0.003","12.658","0.003","19.676","0.004","76.529","0.003","87.164","0.004","64.664","0.003","2698.5","1.1","293","2","293","2","","","","","","","","6","P -1","-P 1","2","CuLavaldmpnN3","","","- C43 H52 Cu2 La2 N22 O9 -","- C43 H52 Cu2 La2 N22 O9 -","- C86 H104 Cu4 La4 N44 O18 -","2","1","","Huang, Xing-Cai; Zhao, Xin-Hua; Shao, Dong; Wang, Xin-Yi","Syntheses, structures, and magnetic properties of a family of end-on azido-bridged CuII‒LnIII complexes","Dalton Trans.","2017","","","","","10.1039/C7DT01167A","","","0.71073","MoKα","","0.0644","0.0411","","","0.0816","0.0905","","","","","","1.019","","","","has coordinates","196922","2020-10-21","18:00:00",""
"7043084","22.177","0.006","9.669","0.002","25.894","0.007","90","","109.798","0.003","90","","5224","2","293","2","293","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","CuErvaldmpnN3","","","- C43 H52 Cu2 Er2 N22 O9 -","- C43 H52 Cu2 Er2 N22 O9 -","- C172 H208 Cu8 Er8 N88 O36 -","4","0.5","","Huang, Xing-Cai; Zhao, Xin-Hua; Shao, Dong; Wang, Xin-Yi","Syntheses, structures, and magnetic properties of a family of end-on azido-bridged CuII‒LnIII complexes","Dalton Trans.","2017","","","","","10.1039/C7DT01167A","","","0.71073","MoKα","","0.0356","0.0297","","","0.068","0.0703","","","","","","1.131","","","","has coordinates","198634","2020-10-21","18:00:00",""
"7043085","22.254","0.003","9.6647","0.0011","26.11","0.003","90","","109.729","0.001","90","","5286.1","1.1","293","2","293","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","CuEuvaldmpnN3","","","- C43 H52 Cu2 Eu2 N22 O9 -","- C43 H52 Cu2 Eu2 N22 O9 -","- C172 H208 Cu8 Eu8 N88 O36 -","4","0.5","","Huang, Xing-Cai; Zhao, Xin-Hua; Shao, Dong; Wang, Xin-Yi","Syntheses, structures, and magnetic properties of a family of end-on azido-bridged CuII‒LnIII complexes","Dalton Trans.","2017","","","","","10.1039/C7DT01167A","","","0.71073","MoKα","","0.03","0.0263","","","0.0591","0.0606","","","","","","1.109","","","","has coordinates,has disorder","198634","2020-10-21","18:00:00",""
"7043086","9.941","0.003","10.887","0.003","13.544","0.004","99.761","0.004","90.893","0.005","101.172","0.005","1415.5","0.7","293","2","293","2","","","","","","","","6","P -1","-P 1","2","","","","- C44 H56 Cu2 N22 O10 Tb2 -","- C44 H56 Cu2 N22 O10 Tb2 -","- C44 H56 Cu2 N22 O10 Tb2 -","1","0.5","","Huang, Xing-Cai; Zhao, Xin-Hua; Shao, Dong; Wang, Xin-Yi","Syntheses, structures, and magnetic properties of a family of end-on azido-bridged CuII‒LnIII complexes","Dalton Trans.","2017","","","","","10.1039/C7DT01167A","","","0.71073","MoKα","","0.0556","0.0427","","","0.0999","0.1054","","","","","","1.002","","","","has coordinates,has disorder","198634","2020-10-21","18:00:00",""
"7043087","22.168","0.004","9.6653","0.0016","25.841","0.004","90","","109.811","0.002","90","","5209","1.5","293","2","293","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","CuTmvaldmpnN3","","","- C43 H52 Cu2 N22 O9 Tm2 -","- C43 H52 Cu2 N22 O9 Tm2 -","- C172 H208 Cu8 N88 O36 Tm8 -","4","0.5","","Huang, Xing-Cai; Zhao, Xin-Hua; Shao, Dong; Wang, Xin-Yi","Syntheses, structures, and magnetic properties of a family of end-on azido-bridged CuII‒LnIII complexes","Dalton Trans.","2017","","","","","10.1039/C7DT01167A","","","0.71073","MoKα","","0.0333","0.0308","","","0.0757","0.0768","","","","","","1.191","","","","has coordinates","198634","2020-10-21","18:00:00",""
"7043088","12.179","0.002","12.571","0.002","19.723","0.003","76.538","0.002","87.492","0.002","65.094","0.002","2658.5","0.7","293","2","293","2","","","","","","","","6","P -1","-P 1","2","CuNdvaldmpnN3","","","- C43 H52 Cu2 N22 Nd2 O9 -","- C43 H52 Cu2 N22 Nd2 O9 -","- C86 H104 Cu4 N44 Nd4 O18 -","2","1","","Huang, Xing-Cai; Zhao, Xin-Hua; Shao, Dong; Wang, Xin-Yi","Syntheses, structures, and magnetic properties of a family of end-on azido-bridged CuII‒LnIII complexes","Dalton Trans.","2017","","","","","10.1039/C7DT01167A","","","0.71073","MoKα","","0.0416","0.0333","","","0.0786","0.0833","","","","","","1.03","","","","has coordinates","196922","2020-10-21","18:00:00",""
"7043089","9.986","0.004","10.816","0.004","13.393","0.005","100.436","0.006","91.137","0.006","100.644","0.006","1396","0.9","293","2","293","2","","","","","","","","6","P -1","-P 1","2","CuYbvaldmpnN3","","","- C44 H56 Cu2 N22 O10 Yb2 -","- C44 H56 Cu2 N22 O10 Yb2 -","- C44 H56 Cu2 N22 O10 Yb2 -","1","0.5","","Huang, Xing-Cai; Zhao, Xin-Hua; Shao, Dong; Wang, Xin-Yi","Syntheses, structures, and magnetic properties of a family of end-on azido-bridged CuII‒LnIII complexes","Dalton Trans.","2017","","","","","10.1039/C7DT01167A","","","0.71073","MoKα","","0.0383","0.0323","","","0.0859","0.0888","","","","","","1.04","","","","has coordinates,has disorder","198634","2020-10-21","18:00:00",""
"7043090","15.427","0.002","13.0451","0.0017","34.166","0.004","90","","111.601","0.008","90","","6392.9","1.4","293","2","293","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","CuSmvaldmpnN3","","","- C48 H72 Cu2 N22 O14 Sm2 -","- C48 H72 Cu2 N22 O14 Sm2 -","- C192 H288 Cu8 N88 O56 Sm8 -","4","1","","Huang, Xing-Cai; Zhao, Xin-Hua; Shao, Dong; Wang, Xin-Yi","Syntheses, structures, and magnetic properties of a family of end-on azido-bridged CuII‒LnIII complexes","Dalton Trans.","2017","","","","","10.1039/C7DT01167A","","","0.71073","MoKα","","0.0655","0.0379","","","0.0767","0.0855","","","","","","1.028","","","","has coordinates","198634","2020-10-21","18:00:00",""
"7043091","22.246","0.005","9.67","0.002","26.064","0.006","90","","109.768","0.003","90","","5276","2","293","2","293","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","CuGdvaldmpnN3","","","- C43 H52 Cu2 Gd2 N22 O9 -","- C43 H52 Cu2 Gd2 N22 O9 -","- C172 H208 Cu8 Gd8 N88 O36 -","4","0.5","","Huang, Xing-Cai; Zhao, Xin-Hua; Shao, Dong; Wang, Xin-Yi","Syntheses, structures, and magnetic properties of a family of end-on azido-bridged CuII‒LnIII complexes","Dalton Trans.","2017","","","","","10.1039/C7DT01167A","","","0.71073","MoKα","","0.0305","0.027","","","0.0631","0.0645","","","","","","1.123","","","","has coordinates","198634","2020-10-21","18:00:00",""
"7043092","9.9","0.003","10.778","0.003","13.432","0.004","99.895","0.008","91.177","0.007","100.921","0.007","1384.2","0.7","173","2","173","2","","","","","","","","6","P -1","-P 1","2","CuDyvaldmpnN3","","","- C44 H56 Cu2 Dy2 N22 O10 -","- C44 H56 Cu2 Dy2 N22 O10 -","- C44 H56 Cu2 Dy2 N22 O10 -","1","0.5","","Huang, Xing-Cai; Zhao, Xin-Hua; Shao, Dong; Wang, Xin-Yi","Syntheses, structures, and magnetic properties of a family of end-on azido-bridged CuII‒LnIII complexes","Dalton Trans.","2017","","","","","10.1039/C7DT01167A","","","0.71073","MoKα","","0.038","0.0269","","","0.0667","0.0694","","","","","","1.037","","","","has coordinates,has disorder","198634","2020-10-21","18:00:00",""
"7043093","14.007","0.003","13.557","0.003","11.661","0.003","90","","90","","90","","2214.3","0.9","150","2","150","2","","","","","","","","6","P n n a","-P 2a 2bc","52","","","","- C22 H28 Al Cl N2 O2 -","- C22 H28 Al Cl N2 O2 -","- C88 H112 Al4 Cl4 N8 O8 -","4","0.5","","Sharma, Mahendra Kumar; Sinhababu, Soumen; Mukherjee, Goutam; Rajaraman, Gopalan; Selvarajan, Nagendran","A Cationic Aluminium Complex: An Efficient Mononuclear Main-Group Catalyst for the Cyanosilylation of Carbonyl Compounds","Dalton Trans.","2017","","","","","10.1039/C7DT01760J","","","0.71073","MoKα","","0.0619","0.0572","","","0.1393","0.1425","","","","","","1.153","","","","has coordinates","196923","2020-10-21","18:00:00",""
"7043094","10.683","0.002","13.311","0.003","14.433","0.003","70.586","0.004","89.366","0.004","74.648","0.004","1859.9","0.7","100","2","100","2","","","","","","","","8","P -1","-P 1","2","","","","- C29 H38 Al F3 N4 O5 S c -","- C30 H38 Al F3 N4 O5 S -","- C60 H76 Al2 F6 N8 O10 S2 -","2","1","","Sharma, Mahendra Kumar; Sinhababu, Soumen; Mukherjee, Goutam; Rajaraman, Gopalan; Selvarajan, Nagendran","A Cationic Aluminium Complex: An Efficient Mononuclear Main-Group Catalyst for the Cyanosilylation of Carbonyl Compounds","Dalton Trans.","2017","","","","","10.1039/C7DT01760J","","","0.71073","MoKα","","0.1225","0.0852","","","0.2","0.2174","","","","","","0.986","","","","has coordinates","196923","2020-10-21","18:00:00",""
"7043095","11.3946","0.0009","28.293","0.003","15.2096","0.0014","90","","102.511","0.002","90","","4787","0.8","298","2","298","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C49 H45 Mn2 N3 O11 -","- C49 H45 Mn2 N3 O11 -","- C196 H180 Mn8 N12 O44 -","4","1","","Luo, Hai Qiang; Xin, Xiao Han; Zhang, Pan; Yan, Zhi Shuo; Zhou, Qingfeng; Gong, Yun; Lin, Jianhua","The Photocurrent Response in the Perovskite Device Based on Coordination Polymer: Structure, Topology, Band Gap and Matched Energy Level","Dalton Trans.","2017","","","","","10.1039/C7DT01161J","","","0.71073","MoKα","","0.1093","0.0531","","","0.1033","0.1174","","","","","","0.972","","","","has coordinates","196926","2020-10-21","18:00:00",""
"7043096","17.3554","0.0015","7.2747","0.0007","28.732","0.003","90","","90","","90","","3627.6","0.6","298","2","298","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C20 H14 Cd O5 -","- C20 H14 Cd O5 -","- C160 H112 Cd8 O40 -","8","1","","Luo, Hai Qiang; Xin, Xiao Han; Zhang, Pan; Yan, Zhi Shuo; Zhou, Qingfeng; Gong, Yun; Lin, Jianhua","The Photocurrent Response in the Perovskite Device Based on Coordination Polymer: Structure, Topology, Band Gap and Matched Energy Level","Dalton Trans.","2017","","","","","10.1039/C7DT01161J","","","0.71073","MoKα","","0.0697","0.0434","","","0.0942","0.1025","","","","","","0.919","","","","has coordinates","196926","2020-10-21","18:00:00",""
"7043097","17.9649","0.0015","10.3101","0.0009","9.465","0.0008","90","","91.212","0.001","90","","1752.7","0.3","298","2","298","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C20 H16 Mn O6 -","- C20 H16 Mn O6 -","- C80 H64 Mn4 O24 -","4","1","","Luo, Hai Qiang; Xin, Xiao Han; Zhang, Pan; Yan, Zhi Shuo; Zhou, Qingfeng; Gong, Yun; Lin, Jianhua","The Photocurrent Response in the Perovskite Device Based on Coordination Polymer: Structure, Topology, Band Gap and Matched Energy Level","Dalton Trans.","2017","","","","","10.1039/C7DT01161J","","","0.71073","MoKα","","0.0961","0.0514","","","0.1007","0.1161","","","","","","0.958","","","","has coordinates","196926","2020-10-21","18:00:00",""
"7043098","18.7251","0.0003","18.7251","0.0003","23.3446","0.0006","90","","90","","120","","7088.7","0.2","293","2","293","2","","","","","","","","5","P 63/m m c","-P 6c 2c","194","","","","- C26 H17 Cu2 N O10 -","- C28 H13 Cu2 N O10 -","- C168 H78 Cu12 N6 O60 -","6","0.25","","Jiao, Jingjing; Jiang, Donghao; Chen, Fengli; Bai, Dongjie; He, Yabing","A Porous Metal-Organic Framework Based on an Asymmetric Angular Diisophthalate for Selective Adsorption of C2H2 and CO2 over CH4","Dalton Trans.","2017","","","","","10.1039/C7DT01450C","","","0.71073","MoKα","","0.1074","0.0856","","","0.2188","0.2399","","","","","","1.229","","","","has coordinates","196927","2020-10-21","18:00:00",""
"7043099","15.018","0.003","25.511","0.005","27.991","0.006","90","","93.13","0.03","90","","10708","4","100","","100","","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C51 H66.8 Cl2 N6 O2 Rh2 -","- C51 H66.8 Cl2 N6 O2 Rh2 -","- C408 H534.4 Cl16 N48 O16 Rh16 -","8","1","","Gatus, Mark; McBurney, Roy Thomas; Bhadbhade, Mohan; Messerle, Barbara A.","Enhancements in Catalytic Reactivity and Selectivity of Homobimetallic Complexes Containing Heteroditopic Ligands","Dalton Trans.","2017","","","","","10.1039/C7DT01294B","","","0.71073","MoKα","","0.0614","0.0468","","","0.1131","0.122","","","","","","1.022","","","","has coordinates,has disorder","196928","2020-10-21","18:00:00",""
"7043100","12.665","0.003","10.888","0.003","20.745","0.005","90","","93.368","0.004","90","","2855.7","1.2","123","2","123","2","","","","","","","","8","P 1 c 1","P -2yc","7","","","","- C54 H60 F6 Mn N14 O2 P Ru -","- C54 H60 F6 Mn N14 O2 P Ru -","- C108 H120 F12 Mn2 N28 O4 P2 Ru2 -","2","1","","Zhu, Xiaoquan; Su, Shaodong; Cao, Wenhai; Wen, Yuehong; Hu, Shengmin; Wu, Xintao; Sheng, Tianlu","Redox effects of low-spin Ru(ii/iii) on slow magnetic relaxation of Ru‒Mn(iii) 1D cyanide-bridged complexes","Dalton Trans.","2017","","","","","10.1039/C7DT01218G","","","0.71073","MoKα","","0.0357","0.034","","","0.0849","0.086","","","","","","1.03","","","","has coordinates","196957","2020-10-21","18:00:00",""
"7043101","10.699","0.009","16.007","0.013","16.625","0.015","83.1","0.03","87.08","0.05","77.54","0.04","2759","4","123","2","123","2","","","","","","","","8","P -1","-P 1","2","","","","- C50 H54 F12 Mn N12 O2 P2 Ru -","- C50 H54 F12 Mn N12 O2 P2 Ru -","- C100 H108 F24 Mn2 N24 O4 P4 Ru2 -","2","1","","Zhu, Xiaoquan; Su, Shaodong; Cao, Wenhai; Wen, Yuehong; Hu, Shengmin; Wu, Xintao; Sheng, Tianlu","Redox effects of low-spin Ru(ii/iii) on slow magnetic relaxation of Ru‒Mn(iii) 1D cyanide-bridged complexes","Dalton Trans.","2017","","","","","10.1039/C7DT01218G","","","0.71073","MoKα","","0.2206","0.1422","","","0.3163","0.3627","","","","","","1.004","","","","has coordinates","196957","2020-10-21","18:00:00",""
"7043102","3.956674","0.000004","3.956674","0.000004","3.956674","0.000004","90","","90","","90","","61.9428","0.00011","293","","293","","","","","","","","","5","P m -3 m","-P 4 2 3","221","","","","- Nb0.4 O3 Sr0.8 Ti0.48 Zr0.12 -","- Nb0.4 O3 Sr0.8 Ti0.48 Zr0.12 -","- Nb0.4 O3 Sr0.8 Ti0.48 Zr0.12 -","1","0.0208333","","Whittle, Thomas A.; Brant, William R.; Hester, James R.; Gu, Qinfen; Schmid, Siegbert","Tailoring phase transition temperatures in perovskites via A-site vacancy generation","Dalton Trans.","2017","","","","","10.1039/C7DT00352H","powder diffraction","x-ray","0.82538","","","0.0129","0.0128","","0.0228","0.0228","","","","2.54","","","","","","","has coordinates","196958","2020-10-21","18:00:00",""
"7043103","5.6682","0.0003","5.6682","0.0003","8.017","0.0008","90","","90","","90","","257.57","0.03","293","","293","","","","","","","","","5","I 4/m c m","-I 4 2c","140","","","","- Nb0.4 O3 Sr0.8 Ti0.24 Zr0.36 -","- Nb0.4 O3 Sr0.8 Ti0.24 Zr0.36 -","- Nb1.6 O12 Sr3.2 Ti0.96 Zr1.44 -","4","0.125","","Whittle, Thomas A.; Brant, William R.; Hester, James R.; Gu, Qinfen; Schmid, Siegbert","Tailoring phase transition temperatures in perovskites via A-site vacancy generation","Dalton Trans.","2017","","","","","10.1039/C7DT00352H","powder diffraction","neutron","1.622","","","0.0576","0.0576","","0.11","0.11","","","","3.52","","","","","","","has coordinates","196959","2020-10-21","18:00:00",""
"7043104","3.942582","0.000003","3.942582","0.000003","3.942582","0.000003","90","","90","","90","","61.2833","0.00008","293","","293","","","","","","","","","5","P m -3 m","-P 4 2 3","221","","","","- Nb0.4 O3 Sr0.8 Ti0.54 Zr0.06 -","- Nb0.4 O3 Sr0.8 Ti0.54 Zr0.06 -","- Nb0.4 O3 Sr0.8 Ti0.54 Zr0.06 -","1","0.0208333","","Whittle, Thomas A.; Brant, William R.; Hester, James R.; Gu, Qinfen; Schmid, Siegbert","Tailoring phase transition temperatures in perovskites via A-site vacancy generation","Dalton Trans.","2017","","","","","10.1039/C7DT00352H","powder diffraction","x-ray","0.82538","","","0.0146","0.0143","","0.0249","0.0249","","","","2.54","","","","","","","has coordinates","196960","2020-10-21","18:00:00",""
"7043105","5.595","0.0003","5.595","0.0003","7.9158","0.0009","90","","90","","90","","247.8","0.03","293","","293","","","","","","","","","5","I 4/m c m","-I 4 2c","140","","","","- Nb0.4 O3 Sr0.8 Ti0.48 Zr0.12 -","- Nb0.4 O3 Sr0.8 Ti0.48 Zr0.12 -","- Nb1.6 O12 Sr3.2 Ti1.92 Zr0.48 -","4","0.125","","Whittle, Thomas A.; Brant, William R.; Hester, James R.; Gu, Qinfen; Schmid, Siegbert","Tailoring phase transition temperatures in perovskites via A-site vacancy generation","Dalton Trans.","2017","","","","","10.1039/C7DT00352H","powder diffraction","neutron","1.622","","","0.0528","0.051","","0.1228","0.1227","","","","5.27","","","","","","","has coordinates","196961","2020-10-21","18:00:00",""
"7043106","3.93076","0.00003","3.93076","0.00003","3.93076","0.00003","90","","90","","90","","60.7337","0.0008","293","","293","","","","","","","","","4","P m -3 m","-P 4 2 3","221","","","","- Nb0.4 O3 Sr0.8 Ti0.6 -","- Nb0.4 O3 Sr0.8 Ti0.6 -","- Nb0.4 O3 Sr0.8 Ti0.6 -","1","0.0208333","","Whittle, Thomas A.; Brant, William R.; Hester, James R.; Gu, Qinfen; Schmid, Siegbert","Tailoring phase transition temperatures in perovskites via A-site vacancy generation","Dalton Trans.","2017","","","","","10.1039/C7DT00352H","powder diffraction","neutron","1.622","","","0.0416","0.0268","","0.0727","0.0691","","","","4.56","","","","","","","has coordinates","196962","2020-10-21","18:00:00",""
"7043107","5.694282","0.000006","5.694282","0.000006","8.077236","0.00001","90","","90","","90","","261.903","0.0005","293","","293","","","","","","","","","5","I 4/m c m","-I 4 2c","140","","","","- Nb0.4 O3 Sr0.8 Ti0.12 Zr0.48 -","- Nb0.4 O3 Sr0.8 Ti0.12 Zr0.48 -","- Nb1.6 O12 Sr3.2 Ti0.48 Zr1.92 -","4","0.125","","Whittle, Thomas A.; Brant, William R.; Hester, James R.; Gu, Qinfen; Schmid, Siegbert","Tailoring phase transition temperatures in perovskites via A-site vacancy generation","Dalton Trans.","2017","","","","","10.1039/C7DT00352H","powder diffraction","x-ray","0.82647","","","0.0291","0.0272","","0.0536","0.0531","","","","4.47","","","","","","","has coordinates","196963","2020-10-21","18:00:00",""
"7043108","5.72625","0.00006","5.72625","0.00006","8.13217","0.00013","90","","90","","90","","266.653","0.006","293","","293","","","","","","","","","4","I 4/m c m","-I 4 2c","140","","","","- Nb0.4 O3 Sr0.8 Zr0.6 -","- Nb0.4 O3 Sr0.8 Zr0.6 -","- Nb1.6 O12 Sr3.2 Zr2.4 -","4","0.125","","Whittle, Thomas A.; Brant, William R.; Hester, James R.; Gu, Qinfen; Schmid, Siegbert","Tailoring phase transition temperatures in perovskites via A-site vacancy generation","Dalton Trans.","2017","","","","","10.1039/C7DT00352H","powder diffraction","neutron","1.622","","","0.0391","0.0391","","0.0712","0.0712","","","","3.38","","","","","","","has coordinates","196964","2020-10-21","18:00:00",""
"7043109","3.928119","0.000003","3.928119","0.000003","3.928119","0.000003","90","","90","","90","","60.6113","0.00008","293","","293","","","","","","","","","4","P m -3 m","-P 4 2 3","221","","","","- Nb0.4 O3 Sr0.8 Ti0.6 -","- Nb0.4 O3 Sr0.8 Ti0.6 -","- Nb0.4 O3 Sr0.8 Ti0.6 -","1","0.0208333","","Whittle, Thomas A.; Brant, William R.; Hester, James R.; Gu, Qinfen; Schmid, Siegbert","Tailoring phase transition temperatures in perovskites via A-site vacancy generation","Dalton Trans.","2017","","","","","10.1039/C7DT00352H","powder diffraction","x-ray","0.82538","","","0.0214","0.0191","","0.0335","0.0329","","","","3.24","","","","","","","has coordinates","196965","2020-10-21","18:00:00",""
"7043110","3.943","0.00004","3.943","0.00004","3.943","0.00004","90","","90","","90","","61.3028","0.0011","293","","293","","","","","","","","","5","P m -3 m","-P 4 2 3","221","","","","- Nb0.4 O3 Sr0.8 Ti0.54 Zr0.06 -","- Nb0.4 O3 Sr0.8 Ti0.54 Zr0.06 -","- Nb0.4 O3 Sr0.8 Ti0.54 Zr0.06 -","1","0.0208333","","Whittle, Thomas A.; Brant, William R.; Hester, James R.; Gu, Qinfen; Schmid, Siegbert","Tailoring phase transition temperatures in perovskites via A-site vacancy generation","Dalton Trans.","2017","","","","","10.1039/C7DT00352H","powder diffraction","neutron","1.622","","","0.0409","0.034","","0.0879","0.0879","","","","5.59","","","","","","","has coordinates","196966","2020-10-21","18:00:00",""
"7043111","5.664962","0.000009","5.664962","0.000009","8.01659","0.00002","90","","90","","90","","257.267","0.0009","293","","293","","","","","","","","","5","I 4/m c m","-I 4 2c","140","","","","- Nb0.4 O3 Sr0.8 Ti0.24 Zr0.36 -","- Nb0.4 O3 Sr0.8 Ti0.24 Zr0.36 -","- Nb1.6 O12 Sr3.2 Ti0.96 Zr1.44 -","4","0.125","","Whittle, Thomas A.; Brant, William R.; Hester, James R.; Gu, Qinfen; Schmid, Siegbert","Tailoring phase transition temperatures in perovskites via A-site vacancy generation","Dalton Trans.","2017","","","","","10.1039/C7DT00352H","powder diffraction","x-ray","0.82647","","","0.0202","0.0199","","0.0417","0.0417","","","","4.72","","","","","","","has coordinates","196967","2020-10-21","18:00:00",""
"7043112","5.725077","0.000005","5.725077","0.000005","8.132035","0.000008","90","","90","","90","","266.54","0.0004","293","","293","","","","","","","","","4","I 4/m c m","-I 4 2c","140","","","","- Nb0.4 O3 Sr0.8 Zr0.6 -","- Nb0.4 O3 Sr0.8 Zr0.6 -","- Nb1.6 O12 Sr3.2 Zr2.4 -","4","0.125","","Whittle, Thomas A.; Brant, William R.; Hester, James R.; Gu, Qinfen; Schmid, Siegbert","Tailoring phase transition temperatures in perovskites via A-site vacancy generation","Dalton Trans.","2017","","","","","10.1039/C7DT00352H","powder diffraction","x-ray","0.82647","","","0.0258","0.0244","","0.0436","0.0432","","","","3.94","","","","","","","has coordinates","196968","2020-10-21","18:00:00",""
"7043113","9.7958","0.0003","10.6346","0.0004","13.0215","0.0004","79.156","0.0012","74.787","0.0009","60.7176","0.001","1138.83","0.07","296","","296","","","","","","","","","6","P -1","-P 1","2","","","","- C14 H18 As2 Au2 Cl2 O8 -","- C14 H18 As2 Au2 Cl2 O8 -","- C28 H36 As4 Au4 Cl4 O16 -","2","1","","Imoto, Hiroaki; Nishiyama, Shintaro; Yumura, Takashi; Watase, Seiji; Matsukawa, Kimihiro; Naka, Kensuke","Control of Aurophilic Interaction: Conformations and Electron Structures of One-Dimensional Supramolecular Architectures","Dalton Trans.","2017","","","","","10.1039/C7DT01383C","","","0.71075","MoKα","","0.049","0.0349","","","0.0722","0.0826","","","","","","1.073","","","","has coordinates","196986","2020-10-21","18:00:00",""
"7043114","25.3536","0.0009","12.5349","0.0003","21.7484","0.0007","90","","133.372","0.002","90","","5024.2","0.3","296","","296","","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C52 H52 Ag2 N4 O6 P2 -","- C52 H52 Ag2 N4 O6 P2 -","- C208 H208 Ag8 N16 O24 P8 -","4","0.5","","Yilmaz, Veysel T.; Icsel, Ceyda; Batur, Jenaidullah; Aydinlik, Seyma; Cengiz, Murat; Büyükgüngör, Orhan","Synthesis, structures and biomolecular interactions of new silver(I) 5,5-diethylbarbiturate complexes of monophosphines targeting Gram-positive bacteria and breast cancer cells","Dalton Trans.","2017","","","","","10.1039/C7DT01286A","","","0.71073","MoKα","","0.0324","0.026","","","0.061","0.0627","","","","","","1.076","","","","has coordinates","196987","2020-10-21","18:00:00",""
"7043115","10.6971","0.0005","11.8519","0.0005","12.6449","0.0006","63.398","0.003","73.689","0.004","89.817","0.004","1361.62","0.12","296","","296","","","","","","","","","6","P -1","-P 1","2","","","","- C26 H37 Ag N2 O3 P -","- C26 H37 Ag N2 O3 P -","- C52 H74 Ag2 N4 O6 P2 -","2","1","","Yilmaz, Veysel T.; Icsel, Ceyda; Batur, Jenaidullah; Aydinlik, Seyma; Cengiz, Murat; Büyükgüngör, Orhan","Synthesis, structures and biomolecular interactions of new silver(I) 5,5-diethylbarbiturate complexes of monophosphines targeting Gram-positive bacteria and breast cancer cells","Dalton Trans.","2017","","","","","10.1039/C7DT01286A","","","0.71073","MoKα","","0.0605","0.043","","","0.1068","0.1129","","","","","","1.059","","","","has coordinates,has disorder","196987","2020-10-21","18:00:00",""
"7043116","9.3467","0.0005","11.5535","0.0006","12.6357","0.0006","94.402","0.004","92.711","0.004","105.575","0.004","1307.23","0.12","296","","296","","","","","","","","","6","P -1","-P 1","2","","","","- C26 H32 Ag N2 O3 P -","- C26 H32 Ag N2 O3 P -","- C52 H64 Ag2 N4 O6 P2 -","2","1","","Yilmaz, Veysel T.; Icsel, Ceyda; Batur, Jenaidullah; Aydinlik, Seyma; Cengiz, Murat; Büyükgüngör, Orhan","Synthesis, structures and biomolecular interactions of new silver(I) 5,5-diethylbarbiturate complexes of monophosphines targeting Gram-positive bacteria and breast cancer cells","Dalton Trans.","2017","","","","","10.1039/C7DT01286A","","","0.71073","MoKα","","0.0285","0.0235","","","0.0603","0.0619","","","","","","1.023","","","","has coordinates","196987","2020-10-21","18:00:00",""
"7043117","10.8443","0.0006","11.5236","0.0006","13.6228","0.0007","97.443","0.004","90.55","0.004","116.452","0.004","1506.96","0.15","296","","296","","","","","","","","","6","P -1","-P 1","2","","","","- C27 H45.5 Ag N2.5 O3 P -","- C26 H44 Ag N2 O3 P -","- C52 H88 Ag2 N4 O6 P2 -","2","1","","Yilmaz, Veysel T.; Icsel, Ceyda; Batur, Jenaidullah; Aydinlik, Seyma; Cengiz, Murat; Büyükgüngör, Orhan","Synthesis, structures and biomolecular interactions of new silver(I) 5,5-diethylbarbiturate complexes of monophosphines targeting Gram-positive bacteria and breast cancer cells","Dalton Trans.","2017","","","","","10.1039/C7DT01286A","","","0.71073","MoKα","","0.0521","0.0423","","","0.0983","0.103","","","","","","1.026","","","","has coordinates","196987","2020-10-21","18:00:00",""
"7043118","9.2441","0.0018","9.926","0.002","10.261","0.002","69.83","0.03","85.85","0.03","79.94","0.03","870.1","0.3","173.15","","173.15","","","","","","","","","5","P -1","-P 1","2","","","","- C34 H56 Al2 N2 O2 -","- C34 H56 Al2 N2 O2 -","- C34 H56 Al2 N2 O2 -","1","0.5","","Zhang, Qiurui; Zhang, Wenjuan; Rajendran, Natesan Mannangatti; Liang, Tongling; Sun, Wen Hua","Thermo-enhanced ring-opening polymerization of ε-caprolactone: The synthesis, characterization and catalytic behavior of aluminum hydroquinolin-8-olates","Dalton Trans.","2017","","","","","10.1039/C7DT01720K","","","0.71073","MoKα","","0.0866","0.0747","","","0.1576","0.1647","","","","","","1.138","","","","has coordinates","196988","2020-10-21","18:00:00",""
"7043119","14.644","0.003","10.016","0.002","17.708","0.004","90","","110.75","0.03","90","","2428.8","1","173.15","","173","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C24 H36 Al2 N2 O2 -","- C24 H36 Al2 N2 O2 -","- C96 H144 Al8 N8 O8 -","4","0.5","","Zhang, Qiurui; Zhang, Wenjuan; Rajendran, Natesan Mannangatti; Liang, Tongling; Sun, Wen Hua","Thermo-enhanced ring-opening polymerization of ε-caprolactone: The synthesis, characterization and catalytic behavior of aluminum hydroquinolin-8-olates","Dalton Trans.","2017","","","","","10.1039/C7DT01720K","","","0.71073","MoKα","","0.0977","0.0899","","","0.233","0.2487","","","","","","1.025","","","","has coordinates","196988","2020-10-21","18:00:00",""
"7043120","16.67","0.003","8.22","0.0016","9.05","0.0018","90","","116.14","0.03","90","","1113.3","0.5","173.15","","173.15","","","","","","","","","5","C 1 2/m 1","-C 2y","12","","","","- C22 H32 Al2 N2 O2 -","- C22 H32 Al2 N2 O2 -","- C44 H64 Al4 N4 O4 -","2","0.25","","Zhang, Qiurui; Zhang, Wenjuan; Rajendran, Natesan Mannangatti; Liang, Tongling; Sun, Wen Hua","Thermo-enhanced ring-opening polymerization of ε-caprolactone: The synthesis, characterization and catalytic behavior of aluminum hydroquinolin-8-olates","Dalton Trans.","2017","","","","","10.1039/C7DT01720K","","","0.71073","MoKα","","0.0588","0.0578","","","0.1592","0.1612","","","","","","1.127","","","","has coordinates","196988","2020-10-21","18:00:00",""
"7043121","14.829","0.003","9.976","0.002","17.574","0.004","90","","112.11","0.03","90","","2408.6","1","173.15","","173.15","","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C22 H30 Al2 Cl2 N2 O2 -","- C22 H30 Al2 Cl2 N2 O2 -","- C88 H120 Al8 Cl8 N8 O8 -","4","0.5","","Zhang, Qiurui; Zhang, Wenjuan; Rajendran, Natesan Mannangatti; Liang, Tongling; Sun, Wen Hua","Thermo-enhanced ring-opening polymerization of ε-caprolactone: The synthesis, characterization and catalytic behavior of aluminum hydroquinolin-8-olates","Dalton Trans.","2017","","","","","10.1039/C7DT01720K","","","0.71073","MoKα","","0.0429","0.0425","","","0.1194","0.1198","","","","","","1.116","","","","has coordinates,has disorder","196988","2020-10-21","18:00:00",""
"7043122","10.4495","0.0002","22.0539","0.0005","21.9358","0.0004","90","","94.529","0.001","90","","5039.37","0.18","296","2","296","2","","","","","","","","8","C 1 c 1","C -2yc","9","","","","- C38 H40 Cl4 F6 N6 O13 P Ru3 -","- C38 H40 Cl4 F6 N6 O13 P Ru3 -","- C152 H160 Cl16 F24 N24 O52 P4 Ru12 -","4","1","","Possato, Bruna; Deflon, Victor; Naal, Zeki; Formiga, André Luiz Barboza; Nikolaou, Sofia","Extended π-system and enhanced electronic delocalization on symmetric [Ru3O(CH3COO)6(L)3]n complexes combined to azanaphthalene ligands","Dalton Trans.","2017","","","","","10.1039/C7DT01152K","","","0.71073","MoKα","","0.031","0.03","","","0.0808","0.0818","","","","","","1.087","","","","has coordinates,has disorder","196989","2020-10-21","18:00:00",""
"7043123","7.2301","0.0002","10.3586","0.0002","10.5707","0.0003","90","","103.465","0.003","90","","769.92","0.04","110","2","110","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C11 H22 Ni S2 Se2 -","- C11 H22 Ni S2 Se2 -","- C22 H44 Ni2 S4 Se4 -","2","1","","Gezer, Gamze; Durán Jiménez, Dinesh; Siegler, Maxime A.; Bouwman, Elisabeth","Electrocatalytic Proton Reduction by a Model for [NiFeSe] Hydrogenases","Dalton Trans.","2017","","","","","10.1039/C7DT00972K","","","0.71073","MoKα","","0.023","0.0215","","","0.0486","0.0495","","","","","","1.041","","","","has coordinates","196990","2020-10-21","18:00:00",""
"7043124","31.5009","0.0007","31.5009","0.0007","14.4145","0.0004","90","","90","","120","","12387.3","0.5","110","2","110","2","","","","","","","","9","R -3 :H","-R 3","148","","","","- C17 H27 F6 Fe Ni O P S2 Se2 -","- C17 H27 F6 Fe Ni O P S2 Se2 -","- C306 H486 F108 Fe18 Ni18 O18 P18 S36 Se36 -","18","1","","Gezer, Gamze; Durán Jiménez, Dinesh; Siegler, Maxime A.; Bouwman, Elisabeth","Electrocatalytic Proton Reduction by a Model for [NiFeSe] Hydrogenases","Dalton Trans.","2017","","","","","10.1039/C7DT00972K","","","1.54178","CuKα","","0.0505","0.039","","","0.0798","0.0839","","","","","","1.063","","","","has coordinates","196990","2020-10-21","18:00:00",""
"7043125","10.32665","0.00013","22.803","0.0002","13.72057","0.00017","90","","105.992","0.0013","90","","3105.87","0.06","110","2","110","2","","","","","","","","10","P 1 21/c 1","-P 2ybc","14","","","","- C23 H31 Cl2 F6 Fe Ni O P S2 Se2 -","- C23 H31 Cl2 F6 Fe Ni O P S2 Se2 -","- C92 H124 Cl8 F24 Fe4 Ni4 O4 P4 S8 Se8 -","4","1","","Gezer, Gamze; Durán Jiménez, Dinesh; Siegler, Maxime A.; Bouwman, Elisabeth","Electrocatalytic Proton Reduction by a Model for [NiFeSe] Hydrogenases","Dalton Trans.","2017","","","","","10.1039/C7DT00972K","","","1.54178","CuKα","","0.0324","0.0296","","","0.075","0.077","","","","","","1.026","","","","has coordinates,has disorder","196990","2020-10-21","18:00:00",""
"7043126","9.3255","0.0014","13.513","0.002","12.0722","0.0015","90","","106.613","0.006","90","","1457.8","0.4","296","2","296","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C26 H30 Cl2 Co N6 O8 -","- C26 H30 Cl2 Co N6 O8 -","- C52 H60 Cl4 Co2 N12 O16 -","2","0.5","","S, Anjana; Saloisanei, Donring; Panda, Sanjib; Varghese, Babu; Murthy, Narasimha N.","Controlling oxidation of bis-tridentate cobalt(II) complexes having bis(2-pyridylalkyl)amines: Ligand vs. metal oxidation","Dalton Trans.","2017","","","","","10.1039/C7DT01792H","","","0.71073","MoKα","","0.0991","0.0677","","","0.1899","0.2155","","","","","","1.119","","","","has coordinates,has disorder","196991","2020-10-21","18:00:00",""
"7043127","9.7799","0.001","15.9328","0.0017","43.47","0.004","90","","90","","90","","6773.5","1.2","296","2","296","2","","","","","","","","6","P b c m","-P 2c 2b","57","","","","- C25 H28.5 Cl3 Co N6.5 O12.5 -","- C25 H27.5 Cl3 Co N6.5 O12.5 -","- C200 H220 Cl24 Co8 N52 O100 -","8","1","","S, Anjana; Saloisanei, Donring; Panda, Sanjib; Varghese, Babu; Murthy, Narasimha N.","Controlling oxidation of bis-tridentate cobalt(II) complexes having bis(2-pyridylalkyl)amines: Ligand vs. metal oxidation","Dalton Trans.","2017","","","","","10.1039/C7DT01792H","","","0.71073","MoKα","","0.1655","0.1084","","","0.2445","0.2735","","","","","","1.097","","","","has coordinates,has disorder","196991","2020-10-21","18:00:00",""
"7043128","12.6679","0.0003","17.9049","0.0005","13.4203","0.0004","90","","93.127","0.002","90","","3039.43","0.14","296","2","296","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C26 H26 Cl2 Co N6 O8 -","- C26 H26 Cl2 Co N6 O8 -","- C104 H104 Cl8 Co4 N24 O32 -","4","1","","S, Anjana; Saloisanei, Donring; Panda, Sanjib; Varghese, Babu; Murthy, Narasimha N.","Controlling oxidation of bis-tridentate cobalt(II) complexes having bis(2-pyridylalkyl)amines: Ligand vs. metal oxidation","Dalton Trans.","2017","","","","","10.1039/C7DT01792H","","","0.71073","MoKα","","0.0893","0.0564","","","0.1412","0.16","","","","","","1.031","","","","has coordinates,has disorder","196991","2020-10-21","18:00:00",""
"7043129","13.5527","0.0003","10.0016","0.0001","23.6872","0.0006","90","","94.24","0.001","90","","3201.98","0.11","133","2","133","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C26.5 H32.5 Cl Co N3.5 O7 -","- C26.5 H31.5 Cl Co N3.5 O7 -","- C106 H126 Cl4 Co4 N14 O28 -","4","1","","Akintola, Oluseun; Hornig, David; Buchholz, Axel; Görls, Helmar; Plass, Winfried","Solvent-dependent selective cation exchange in anionic frameworks based on cobalt(II) and triphenylamine linkers: reactor-dependent synthesis and sorption properties","Dalton Trans.","2017","","","","","10.1039/C7DT01405H","","","0.71073","MoKα","","0.0801","0.0684","","","0.1923","0.2015","","","","","","1.126","","","","has coordinates,has disorder","196992","2020-10-21","18:00:00",""
"7043130","12.0563","0.0006","12.0768","0.0006","12.0815","0.0006","87.195","0.001","62.134","0.001","73.963","0.001","1487.92","0.13","173","2","173.15","","","","","","","","","8","P -1","-P 1","2","","","","- C20 H15 As F9 N4 O9 P S3 -","- C20 H15 As F9 N4 O9 P S3 -","- C40 H30 As2 F18 N8 O18 P2 S6 -","2","1","","Suter, Riccardo; Sinclair, Hannah; Burford, Neil; McDonald, Robert; Ferguson, Michael J.; Schrader, Erik","Tris(2-pyridyl)phosphine as a versatile ligand for pnictogen acceptors","Dalton Trans.","2017","","","","","10.1039/C7DT01526G","","x-ray","0.71073","MoKα","K-L~3~","0.0323","0.028","","","0.0763","0.0784","","","","","","1.084","","","","has coordinates","206958","2020-10-21","18:00:00",""
"7043131","21.6061","0.0002","12.18356","0.0001","21.5114","0.0002","90","","91.2212","0.0009","90","","5661.36","0.09","100.01","0.1","100.01","0.1","","","","","","","","8","C 1 c 1","C -2yc","9","Trispyridylphosphine antimony tris triflate","Trispyridylphosphine antimony tris triflate","","- C19 H13.5 F9 N3.5 O9 P S3 Sb -","- C19 H13.5 F9 N3.5 O9 P S3 Sb -","- C152 H108 F72 N28 O72 P8 S24 Sb8 -","8","2","","Suter, Riccardo; Sinclair, Hannah; Burford, Neil; McDonald, Robert; Ferguson, Michael J.; Schrader, Erik","Tris(2-pyridyl)phosphine as a versatile ligand for pnictogen acceptors","Dalton Trans.","2017","","","","","10.1039/C7DT01526G","","x-ray","0.71073","MoKα","K-L~3~","0.0168","0.0165","","","0.0391","0.0392","","","","","","1.054","","","","has coordinates,has disorder","197012","2020-10-21","18:00:00",""
"7043132","14.1583","0.0003","15.6137","0.0003","13.3459","0.0003","90","","95.51","0.001","90","","2936.66","0.11","173","2","173.05","","","","","","","","","8","P 1 21/c 1","-P 2ybc","14","Trispyridylphosphine antimony fluoride bis triflate","Trispyridylphosphine antimony fluoride bis triflate","","- C21 H18 F7 N5 O6 P S2 Sb -","- C21 H18 F7 N5 O6 P S2 Sb -","- C84 H72 F28 N20 O24 P4 S8 Sb4 -","4","1","","Suter, Riccardo; Sinclair, Hannah; Burford, Neil; McDonald, Robert; Ferguson, Michael J.; Schrader, Erik","Tris(2-pyridyl)phosphine as a versatile ligand for pnictogen acceptors","Dalton Trans.","2017","","","","","10.1039/C7DT01526G","","x-ray","1.54184","CuKα","K-L~3~","0.0511","0.0455","","","0.126","0.1307","","","","","","1.053","","","","has coordinates","197012","2020-10-21","18:00:00",""
"7043133","17.0031","0.0002","17.0031","0.0002","17.0031","0.0002","90","","90","","90","","4915.69","0.1","100","2","100","2","","","","","","","","6","P 21 3","P 2ac 2ab 3","198","","","","- C48 H63 B2 F8 Fe N9 -","- C48 H63 B2 F8 Fe N9 -","- C192 H252 B8 F32 Fe4 N36 -","4","0.333333","","Han, Wang-Kang; Qin, Long-Fang; Pang, Chun-Yan; Cheng, Cai-Kun; Zhu, Wei; Li, Zhi-Hua; Li, Zaijun; Ren, Xuehong; Gu, Zhi-Guo","Polymorphism of chiral iron(II) complex: spin-crossover and ferroelectric properties","Dalton Trans.","2017","","","","","10.1039/C7DT01634D","","","0.71073","MoKα","","0.0261","0.0241","","","0.053","0.0535","","","","","","1.017","","","","has coordinates","197013","2020-10-21","18:00:00",""
"7043134","12.6436","0.0016","12.6436","0.0016","28.035","0.003","90","","90","","120","","3881.3","0.8","296","2","296","2","","","","","","","","6","R 3 :H","R 3","146","","","","- C48 H63 B2 F8 Fe N9 -","- C48 H63 B2 F8 Fe N9 -","- C144 H189 B6 F24 Fe3 N27 -","3","0.333333","","Han, Wang-Kang; Qin, Long-Fang; Pang, Chun-Yan; Cheng, Cai-Kun; Zhu, Wei; Li, Zhi-Hua; Li, Zaijun; Ren, Xuehong; Gu, Zhi-Guo","Polymorphism of chiral iron(II) complex: spin-crossover and ferroelectric properties","Dalton Trans.","2017","","","","","10.1039/C7DT01634D","","","0.71073","MoKα","","0.0922","0.0687","","","0.1818","0.1982","","","","","","1.013","","","","has coordinates,has disorder","197013","2020-10-21","18:00:00",""
"7043135","10.4507","0.0007","13.2384","0.0008","26.961","0.002","95.396","0.006","91.534","0.006","90.814","0.005","3711.7","0.4","120.01","0.1","120.01","0.1","","","","","","","","8","P -1","-P 1","2","","","","- C68 H52 Cl2 F34 N8 Ni O5 S2 -","- C68 H52 Cl2 F34 N8 Ni O5 S2 -","- C136 H104 Cl4 F68 N16 Ni2 O10 S4 -","2","1","","Arnedo-Sánchez, Leticia; Nonappa, Nonappa; Bhowmik, Sandip; Hietala, Sami; Puttreddy, Rakesh; Lahtinen, Manu; De Cola, Luisa; Rissanen, Kari","Rapid self-healing and anion selectivity in metallosupramolecular gels assisted by fluorine‒fluorine interactions","Dalton Trans.","2017","","","","","10.1039/C7DT00983F","","x-ray","1.54184","CuKα","","0.1278","0.0792","","","0.1987","0.233","","","","","","1.027","","","","has coordinates,has disorder","197014","2020-10-21","18:00:00",""
"7043136","5.7081","0.0005","10","0.0007","56.029","0.004","90","","90","","90","","3198.2","0.4","123.01","0.1","123.01","0.1","","","","","","","","5","P 21 c n","P -2n 2a","33","","","","- C33 H23 F15 N4 O2 -","- C33 H23 F15 N4 O2 -","- C132 H92 F60 N16 O8 -","4","1","","Arnedo-Sánchez, Leticia; Nonappa, Nonappa; Bhowmik, Sandip; Hietala, Sami; Puttreddy, Rakesh; Lahtinen, Manu; De Cola, Luisa; Rissanen, Kari","Rapid self-healing and anion selectivity in metallosupramolecular gels assisted by fluorine‒fluorine interactions","Dalton Trans.","2017","","","","","10.1039/C7DT00983F","","x-ray","1.54184","CuKα","","0.0833","0.0726","","","0.1411","0.1468","","","","","","1.066","","","","has coordinates","197014","2020-10-21","18:00:00",""
"7043137","5.62249","0.00013","60.95","0.003","9.3539","0.0003","90","","99.25","0.003","90","","3163.8","0.2","123","0.3","123","0.3","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C30 H16 Cl3 F15 N4 O -","- C30 H16 Cl3 F15 N4 O -","- C120 H64 Cl12 F60 N16 O4 -","4","1","","Arnedo-Sánchez, Leticia; Nonappa, Nonappa; Bhowmik, Sandip; Hietala, Sami; Puttreddy, Rakesh; Lahtinen, Manu; De Cola, Luisa; Rissanen, Kari","Rapid self-healing and anion selectivity in metallosupramolecular gels assisted by fluorine‒fluorine interactions","Dalton Trans.","2017","","","","","10.1039/C7DT00983F","","x-ray","1.54184","CuKα","","0.0636","0.0489","","","0.1163","0.1262","","","","","","1.041","","","","has coordinates,has disorder","197014","2020-10-21","18:00:00",""
"7043138","5.5175","0.0006","31.498","0.003","9.0538","0.0009","90","","99.363","0.01","90","","1552.5","0.3","119.97","0.12","119.97","0.12","","","","","","","","5","P 1 n 1","P -2yac","7","","","","- C30 H21 F15 N4 O3 -","- C30 H21 F15 N4 O3 -","- C60 H42 F30 N8 O6 -","2","1","","Arnedo-Sánchez, Leticia; Nonappa, Nonappa; Bhowmik, Sandip; Hietala, Sami; Puttreddy, Rakesh; Lahtinen, Manu; De Cola, Luisa; Rissanen, Kari","Rapid self-healing and anion selectivity in metallosupramolecular gels assisted by fluorine‒fluorine interactions","Dalton Trans.","2017","","","","","10.1039/C7DT00983F","","x-ray","1.54184","CuKα","","0.1008","0.0618","","","0.1401","0.1652","","","","","","1.053","","","","has coordinates,has disorder","197014","2020-10-21","18:00:00",""
"7043139","9.78405","0.00018","10.07442","0.00018","55.2622","0.0012","90","","90","","90","","5447.12","0.18","120.01","0.1","120.01","0.1","","","","","","","","5","P c a 21","P 2c -2ac","29","","","","- C29 H15 F15 N4 O -","- C29 H15 F15 N4 O -","- C232 H120 F120 N32 O8 -","8","2","","Arnedo-Sánchez, Leticia; Nonappa, Nonappa; Bhowmik, Sandip; Hietala, Sami; Puttreddy, Rakesh; Lahtinen, Manu; De Cola, Luisa; Rissanen, Kari","Rapid self-healing and anion selectivity in metallosupramolecular gels assisted by fluorine‒fluorine interactions","Dalton Trans.","2017","","","","","10.1039/C7DT00983F","","x-ray","1.54184","CuKα","","0.0377","0.0349","","","0.0929","0.0954","","","","","","1.057","","","","has coordinates","197014","2020-10-21","18:00:00",""
"7043140","39.612","0.007","39.612","0.007","10.206","0.006","90","","90","","90","","16014","10","100","2","100","2","","","","","","","","4","I 41/a","-I 4ad","88","","","","- C84 H136 Ge4 N4 -","- C84 H136 Ge4 N4 -","- C672 H1088 Ge32 N32 -","8","","","Roesky, Herbert W.; Kundu, Subrata; Samuel, Prinson P.; Luebben, Anna; Andrada, Diego Marcelo; Frenking, G.; Dittrich, Birger","Carbene Stabilized Interconnected Bis-germylene and its Silicon Analogue with Small Methyl Substituents","Dalton Trans.","2017","","","","","10.1039/C7DT01796K","","","0.6358","synchrotron","","0.0388","0.0307","","","0.0853","0.0876","","","","","","1.034","","","","has coordinates,has disorder","197015","2020-10-21","18:00:00",""
"7043141","39.475","0.017","39.475","0.017","10.222","0.008","90","","90","","90","","15929","16","100","2","100","2","","","","","","","","4","I 41/a","-I 4ad","88","carbene stabilized bissilylene","","","- C42 H68 N2 Si2 -","- C42 H68 N2 Si2 -","- C672 H1088 N32 Si32 -","16","","","Roesky, Herbert W.; Kundu, Subrata; Samuel, Prinson P.; Luebben, Anna; Andrada, Diego Marcelo; Frenking, G.; Dittrich, Birger","Carbene Stabilized Interconnected Bis-germylene and its Silicon Analogue with Small Methyl Substituents","Dalton Trans.","2017","","","","","10.1039/C7DT01796K","","","0.6538","synchrotron","","0.0483","0.0401","","","0.1091","0.1124","","","","","","1.271","","","","has coordinates","206958","2020-10-21","18:00:00",""
"7043142","13.3081","0.001","13.8105","0.0012","14.5437","0.0011","63.018","0.008","66.477","0.007","62.871","0.008","2056.8","0.3","295","2","295","2","","","","","","","","4","P -1","-P 1","2","","","","- C84 H84 O24 Ti6 -","- C84 H84 O24 Ti6 -","- C84 H84 O24 Ti6 -","1","0.5","","Fan, Yang; Cui, Ying; Zou, Guo-dong; Duan, Rui-Huan Huan; Zhang, Xu; Dong, Yu-Xiang; Lv, Haiting; Cao, Juntao; Jing, Qiang-Shan","Ferrocenecarboxylate-functionalized titanium-oxo-cluster: ferrocene wheel as sensitizer for photocurrent response","Dalton Trans.","2017","","","","","10.1039/C7DT01756A","","","0.71073","MoKα","","0.1503","0.0805","","","0.131","0.1609","","","","","","1.036","","","","has coordinates,has disorder","197029","2020-10-21","18:00:00",""
"7043143","13.4769","0.0014","13.9496","0.0015","14.1303","0.0013","65.816","0.01","83.373","0.009","62.506","0.011","2140.7","0.5","295","2","295","2","","","","","","","","4","P -1","-P 1","2","","","","- C90 H96 O24 Ti6 -","- C90 H96 O24 Ti6 -","- C90 H96 O24 Ti6 -","1","0.5","","Fan, Yang; Cui, Ying; Zou, Guo-dong; Duan, Rui-Huan Huan; Zhang, Xu; Dong, Yu-Xiang; Lv, Haiting; Cao, Juntao; Jing, Qiang-Shan","Ferrocenecarboxylate-functionalized titanium-oxo-cluster: ferrocene wheel as sensitizer for photocurrent response","Dalton Trans.","2017","","","","","10.1039/C7DT01756A","","","0.71073","MoKα","","0.0549","0.0442","","","0.1129","0.1215","","","","","","1.034","","","","has coordinates,has disorder","197029","2020-10-21","18:00:00",""
"7043144","16.8249","0.0007","13.8268","0.0004","19.426","0.0007","90","","90.638","0.004","90","","4518.9","0.3","295","2","295","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C84 H96 Fe6 O24 Ti6 -","- C84 H96 Fe6 O24 Ti6 -","- C168 H192 Fe12 O48 Ti12 -","2","0.5","","Fan, Yang; Cui, Ying; Zou, Guo-dong; Duan, Rui-Huan Huan; Zhang, Xu; Dong, Yu-Xiang; Lv, Haiting; Cao, Juntao; Jing, Qiang-Shan","Ferrocenecarboxylate-functionalized titanium-oxo-cluster: ferrocene wheel as sensitizer for photocurrent response","Dalton Trans.","2017","","","","","10.1039/C7DT01756A","","","0.71073","MoKα","","0.0875","0.0501","","","0.107","0.1286","","","","","","1.022","","","","has coordinates,has disorder","197029","2020-10-21","18:00:00",""
"7043145","10.2279","0.0007","13.4825","0.001","14.1721","0.001","111.287","0.007","106.541","0.006","90.335","0.006","1732.5","0.2","293","2","293","2","","","","","","","","7","P -1","-P 1","2","","","","- C74 H50 Cl6 Dy2 Mg N8 O8 -","- C74 H50 Cl6 Dy2 Mg N8 O8 -","- C74 H50 Cl6 Dy2 Mg N8 O8 -","1","0.5","","Zhang, Wan-Ying; Tian, Yong-Mei; Li, Hongfeng; Chen, Peng; Zhang, Yiquan; Yan, Pengfei; Sun, Wenbin","Strictly linear trinuclear Dy-Ca/Mg-Dy single-molecule magnets: the impact of long-range f-f ferromagnetic interactions on suppressing quantum tunnelling of magnetization leading to slow magnetic relaxation","Dalton Trans.","2017","","","","","10.1039/C7DT01395G","","","0.7107","MoKα","","0.0751","0.0471","","","0.0847","0.0947","","","","","","1.005","","","","has coordinates","197030","2020-10-21","18:00:00",""
"7043146","11.815","0.0005","12.3837","0.0006","14.0362","0.0005","97.094","0.003","114.133","0.004","112.036","0.004","1641.57","0.16","293","2","293","2","","","","","","","","6","P -1","-P 1","2","","","","- C72 H48 Ca Dy2 N8 O8 -","- C72 H48 Ca Dy2 N8 O8 -","- C72 H48 Ca Dy2 N8 O8 -","1","0.5","","Zhang, Wan-Ying; Tian, Yong-Mei; Li, Hongfeng; Chen, Peng; Zhang, Yiquan; Yan, Pengfei; Sun, Wenbin","Strictly linear trinuclear Dy-Ca/Mg-Dy single-molecule magnets: the impact of long-range f-f ferromagnetic interactions on suppressing quantum tunnelling of magnetization leading to slow magnetic relaxation","Dalton Trans.","2017","","","","","10.1039/C7DT01395G","","x-ray","0.71073","MoKα","","0.0615","0.0474","","","0.1404","0.1524","","","","","","1.051","","","","has coordinates","197030","2020-10-21","18:00:00",""
"7043147","29.7835","0.0016","23.1277","0.0018","10.3592","0.0006","90","","92.992","0.005","90","","7125.9","0.8","293","","293","","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C74 H50 Ca Cl6 Er2 N8 O8 -","- C74 H50 Ca Cl6 Er2 N8 O8 -","- C296 H200 Ca4 Cl24 Er8 N32 O32 -","4","1","","Zhang, Wan-Ying; Tian, Yong-Mei; Li, Hongfeng; Chen, Peng; Zhang, Yiquan; Yan, Pengfei; Sun, Wenbin","Strictly linear trinuclear Dy-Ca/Mg-Dy single-molecule magnets: the impact of long-range f-f ferromagnetic interactions on suppressing quantum tunnelling of magnetization leading to slow magnetic relaxation","Dalton Trans.","2017","","","","","10.1039/C7DT01395G","","","0.71073","MoKα","","0.243","0.0869","","","0.1376","0.2031","","","","","","0.985","","","","has coordinates","197030","2020-10-21","18:00:00",""
"7043148","10.234","0.0006","11.6835","0.0004","15.1607","0.0008","91.236","0.004","102.557","0.005","105.202","0.004","1701.52","0.16","293","2","293","2","","","","","","","","7","P -1","-P 1","2","","","","- C74 H50 Cl6 Er2 Mg N8 O8 -","- C74 H50 Cl6 Er2 Mg N8 O8 -","- C74 H50 Cl6 Er2 Mg N8 O8 -","1","0.5","","Zhang, Wan-Ying; Tian, Yong-Mei; Li, Hongfeng; Chen, Peng; Zhang, Yiquan; Yan, Pengfei; Sun, Wenbin","Strictly linear trinuclear Dy-Ca/Mg-Dy single-molecule magnets: the impact of long-range f-f ferromagnetic interactions on suppressing quantum tunnelling of magnetization leading to slow magnetic relaxation","Dalton Trans.","2017","","","","","10.1039/C7DT01395G","","","0.71073","MoKα","","0.1042","0.0969","","","0.271","0.2752","","","","","","1.216","","","","has coordinates","197030","2020-10-21","18:00:00",""
"7043149","10.1303","0.0006","13.8487","0.0008","14.4314","0.0009","84.765","0.001","78.828","0.001","70.71","0.001","1873.92","0.19","296","2","296","2","","","","","","","","6","P -1","-P 1","2","","","","- C41 H26 F10 Ir N6 P -","- C41 H26 F10 Ir N6 P -","- C82 H52 F20 Ir2 N12 P2 -","2","1","","Cao, Deng-Ke; Gao, Tao-Bao; Fan, Qianwenhao; Yu, Z.T.","Cyclometalated Ir(III) complexes based on 2-(2,4-difluorophenyl)-pyridine and 2,2'-(2-phenyl-1H-imidazole-4,5-diyl)dipyridine: acid/base-induced structural transformation and luminescence switching, and photocatalytic activity for hydrogen evolution","Dalton Trans.","2017","","","","","10.1039/C7DT01337J","","","0.71073","MoKα","","0.042","0.0343","","","0.0678","0.0708","","","","","","1.038","","","","has coordinates","197031","2020-10-21","18:00:00",""
"7043150","21.8943","0.0008","24.2539","0.0009","13.4991","0.0005","90","","93.39","0.001","90","","7155.8","0.5","296","2","296","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C41 H25 F4 Ir N6 -","- C41 H25 F4 Ir N6 -","- C328 H200 F32 Ir8 N48 -","8","1","","Cao, Deng-Ke; Gao, Tao-Bao; Fan, Qianwenhao; Yu, Z.T.","Cyclometalated Ir(III) complexes based on 2-(2,4-difluorophenyl)-pyridine and 2,2'-(2-phenyl-1H-imidazole-4,5-diyl)dipyridine: acid/base-induced structural transformation and luminescence switching, and photocatalytic activity for hydrogen evolution","Dalton Trans.","2017","","","","","10.1039/C7DT01337J","","","0.71073","MoKα","","0.0232","0.0198","","","0.0605","0.0625","","","","","","1.034","","","","has coordinates","197031","2020-10-21","18:00:00",""
"7043151","18.604","0.005","18.604","0.005","37.123","0.005","90","","90","","120","","11127","4","100","2","100","2","","","","","","","","5","R -3 m","-R 3 2""","166","","","","- C10 H7 Cu N O5 -","- C10 H7 Cu N O5 -","- C180 H126 Cu18 N18 O90 -","18","","","Gupta, Anoop K.; De, Dinesh; Bharadwaj, Parimal K.","A NbO type Cu(II) metal‒organic framework showing efficient catalytic activity in Friedländer and Henry reactions","Dalton Trans.","2017","","","","","10.1039/C7DT01595J","","","0.71069","MoKα","","0.1557","0.0915","","","0.2509","0.2959","","","","","","1.06","","","","has coordinates,has disorder","197032","2020-10-21","18:00:00",""
"7043152","32.541","0.003","10.2204","0.0008","8.0517","0.0007","90","","92.954","0.002","90","","2674.3","0.4","123","2","123","2","","","","","","","","5","C 1 2/m 1","-C 2y","12","","","","- C24 H24 O11 Pb2 S3 -","- C24 H24 O11 Pb2 S3 -","- C96 H96 O44 Pb8 S12 -","4","0.5","","Zhai, Lu; Liu, Xiao; Zhang, Wen-Wei; Zuo, Jing-Lin; Yang, Zhu Xi; Ren, Xiaoming","Intense greenish phosphorescence emission under ambient condition in a two−dimensional lead(II) coordination polymer with 1,1'-ethynebenzene-3, 3', 5, 5'−tetracarboxylate ligand","Dalton Trans.","2017","","","","","10.1039/C7DT01626C","","","0.71073","MoKα","","0.0639","0.0611","","","0.2014","0.206","","","","","","1.096","","","","has coordinates,has disorder","197033","2020-10-21","18:00:00",""
"7043153","6.0442","0.0017","8.393","0.002","11.447","0.003","72.362","0.007","89.297","0.007","78.103","0.007","540.7","0.2","100","2","100","2","","","","","","","","4","P -1","-P 1","2","NO2-bppy","2-(4-nitropyrazol-1-yl)-6-(pyrazol-1-yl)pyridine","","- C11 H8 N6 O2 -","- C11 H8 N6 O2 -","- C22 H16 N12 O4 -","2","1","","Strohecker, Daniel; Lynch, Vincent; Holliday, Bradley; Jones, Richard A.","Synthesis and Electronic Investigation of Mono- and Di-substituted 4-Nitro- and 4-Amino-bis(pyrazol-1-yl)pyridine-type Ligands and Luminescent Eu(III) Derivatives","Dalton Trans.","2017","","","","","10.1039/C7DT01153A","","","0.71073","MoKα","","0.0357","0.0332","","","0.0904","0.0919","","","","","","1.057","","","","has coordinates","197057","2020-10-21","18:00:00",""
"7043154","22.9809","0.0016","3.7881","0.0003","12.2183","0.0009","90","","104.812","0.007","90","","1028.31","0.14","173","2","173","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","NH2-bppy","2-(4-aminopyrazol-1-yl)-6-(pyrazol-1-yl)pyridine","","- C12 H11 N5 -","- C11 H10 N6 -","- C44 H40 N24 -","4","1","","Strohecker, Daniel; Lynch, Vincent; Holliday, Bradley; Jones, Richard A.","Synthesis and Electronic Investigation of Mono- and Di-substituted 4-Nitro- and 4-Amino-bis(pyrazol-1-yl)pyridine-type Ligands and Luminescent Eu(III) Derivatives","Dalton Trans.","2017","","","","","10.1039/C7DT01153A","","","1.54184","CuKα","","0.0803","0.067","","","0.1865","0.2137","","","","","","1.05","","","","has coordinates","197057","2020-10-21","18:00:00",""
"7043155","5.182","0.0014","8.556","0.003","11.285","0.003","77.698","0.007","81.398","0.007","75.758","0.007","471.3","0.2","100","2","100","2","","","","","","","","5","P -1","-P 1","2","NO2-pz-py-Br","2-bromo-6-(4-pyrazol-1-yl)pyridine","","- C8 H5 Br N4 O2 -","- C8 H5 Br N4 O2 -","- C16 H10 Br2 N8 O4 -","2","1","","Strohecker, Daniel; Lynch, Vincent; Holliday, Bradley; Jones, Richard A.","Synthesis and Electronic Investigation of Mono- and Di-substituted 4-Nitro- and 4-Amino-bis(pyrazol-1-yl)pyridine-type Ligands and Luminescent Eu(III) Derivatives","Dalton Trans.","2017","","","","","10.1039/C7DT01153A","","","0.71073","MoKα","","0.0288","0.0269","","","0.0666","0.068","","","","","","1.096","","","","has coordinates","197057","2020-10-21","18:00:00",""
"7043156","12.6221","0.0004","28.4812","0.0006","9.808","0.0004","90","","93.341","0.003","90","","3519.9","0.2","140","0.1","140","0.1","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C34 H49 Ag B N3 O4 -","- C34 H49 Ag B N3 O4 -","- C136 H196 Ag4 B4 N12 O16 -","4","1","","Arévalo, Rebeca; Vogels, Christopher M.; MacNeil, Gregory; Riera, Lucia; Perez, Julio; Westcott, Steve","Rhenium-Catalysed Hydroboration of Aldehydes and Aldimines","Dalton Trans.","2017","","","","","10.1039/C7DT01549F","","","1.54184","CuKα","","0.0335","0.03","","","0.073","0.0755","","","","","","1.034","","","","has coordinates","197058","2020-10-21","18:00:00",""
"7043157","13.0148","0.0003","15.8291","0.0004","16.0675","0.0005","117.48","0.003","96.95","0.002","104.506","0.002","2733.03","0.16","149.9","0.1","149.9","0.1","","","","","","","","8","P -1","-P 1","2","","","","- C109 H54 B2 Cl2 F48 N6 O6 Re2 -","- C109 H54 B2 Cl2 F48 N6 O6 Re2 -","- C109 H54 B2 Cl2 F48 N6 O6 Re2 -","1","0.5","","Arévalo, Rebeca; Vogels, Christopher M.; MacNeil, Gregory; Riera, Lucia; Perez, Julio; Westcott, Steve","Rhenium-Catalysed Hydroboration of Aldehydes and Aldimines","Dalton Trans.","2017","","","","","10.1039/C7DT01549F","","","1.54184","CuKα","","0.0438","0.04","","","0.1018","0.1051","","","","","","1.042","","","","has coordinates,has disorder","197058","2020-10-21","18:00:00",""
"7043158","12.9701","0.0006","14.603","0.0007","15.4311","0.0007","90","","102.825","0.002","90","","2849.8","0.2","150","2","150","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C28 H49 Si2 Ti -","- C27.524 H48.167 Cl0.119 Si2 Ti -","- C110.096 H192.668 Cl0.476 Si8 Ti4 -","4","1","","Pinkas, Jiri; Gyepes, Robert; Cisarova, Ivana; Kubišta, Jiří; Horacek, Michal; Mach, Karel","Decamethyltitanocene hydride intermediates in hydrogenation of corresponding titanocene-(η2-ethene) or (η2-alkyne) complexes and effects of bulkier auxiliary ligands","Dalton Trans.","2017","","","","","10.1039/C7DT01545C","","","0.71073","MoKα","","0.0674","0.0428","","","0.109","0.1206","","","","","","1.033","","","","has coordinates,has disorder","197059","2020-10-21","18:00:00",""
"7043159","38.9059","0.0017","8.4278","0.0003","22.7517","0.001","90","","90.247","0.002","90","","7460","0.5","150","2","150","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C40 H62.5 Cl0.25 Ti2 -","- C40 H63.358 Cl0.321 Ti2 -","- C320 H506.864 Cl2.568 Ti16 -","8","1","","Pinkas, Jiri; Gyepes, Robert; Cisarova, Ivana; Kubišta, Jiří; Horacek, Michal; Mach, Karel","Decamethyltitanocene hydride intermediates in hydrogenation of corresponding titanocene-(η2-ethene) or (η2-alkyne) complexes and effects of bulkier auxiliary ligands","Dalton Trans.","2017","","","","","10.1039/C7DT01545C","","","0.71073","MoKα","","0.0525","0.04","","","0.0997","0.1086","","","","","","1.052","","","","has coordinates","197059","2020-10-21","18:00:00",""
"7043160","31.2307","0.0016","8.4988","0.0004","22.545","0.001","90","","108.619","0.002","90","","5670.8","0.5","150","2","150","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C60 H92.5 Cl0.75 Ti3 -","- C60 H92.536 Cl0.732 Ti3 -","- C240 H370.144 Cl2.928 Ti12 -","4","0.5","","Pinkas, Jiri; Gyepes, Robert; Cisarova, Ivana; Kubišta, Jiří; Horacek, Michal; Mach, Karel","Decamethyltitanocene hydride intermediates in hydrogenation of corresponding titanocene-(η2-ethene) or (η2-alkyne) complexes and effects of bulkier auxiliary ligands","Dalton Trans.","2017","","","","","10.1039/C7DT01545C","","","0.71073","MoKα","","0.0689","0.0559","","","0.1398","0.1493","","","","","","1.082","","","","has coordinates,has disorder","197059","2020-10-21","18:00:00",""
"7043161","8.6546","0.0003","17.078","0.0005","17.4546","0.0006","66.021","0.001","88.008","0.001","88.708","0.001","2355.67","0.14","150","2","150","2","","","","","","","","3","P -1","-P 1","2","","","","- C52 H86 Ti2 -","- C52 H85.855 O0.145 Ti2 -","- C104 H171.71 O0.29 Ti4 -","2","1","","Pinkas, Jiri; Gyepes, Robert; Cisarova, Ivana; Kubišta, Jiří; Horacek, Michal; Mach, Karel","Decamethyltitanocene hydride intermediates in hydrogenation of corresponding titanocene-(η2-ethene) or (η2-alkyne) complexes and effects of bulkier auxiliary ligands","Dalton Trans.","2017","","","","","10.1039/C7DT01545C","","","0.71073","MoKα","","0.0543","0.0394","","","0.1001","0.1067","","","","","","1.026","","","","has coordinates,has disorder","197059","2020-10-21","18:00:00",""
"7043162","11.86978","0.00018","11.86978","0.00018","16.7977","0.0005","90","","90","","120","","2049.58","0.08","498","","498","","","","","","","","","4","R -3 c :H","-R 3 2""c","167","Triammine Calcium Dodecahydro-closo-dodecaborate","Triammine Calcium Dodecahydro-closo-dodecaborate","","- B12 Ca H21 N3 -","- B12 Ca H21 N3 -","- B72 Ca6 H126 N18 -","6","0.166667","","Hansen, Bjarne R. S.; Tumanov, Nikolay; Santoru, Antonio; Pistidda, Claudio; Bednarcik, Jozef; Klassen, Thomas; Dornheim, Martin; Filinchuk, Yaroslav; Jensen, Torben Rene R.","Synthesis, structures and thermal decomposition of ammine MxB12H12 complexes (M = Li, Na, Ca)","Dalton Trans.","2017","","","","","10.1039/C7DT01414G","powder diffraction","","0.775","synchrotron","","","","","","","","","9.0973","1.78","","","","","","","has coordinates","197060","2020-10-21","18:00:00",""
"7043163","7.16723","0.00011","7.16723","0.00011","7.15737","0.00019","90","","90","","120","","318.41","0.011","393","","393","","","","","","","","","4","P -3 m 1","-P 3 2""","164","Diammine Disodium Dodecahydro-closo-dodecaborate","Diammine Disodium Dodecahydro-closo-dodecaborate","","- B12 H18 N2 Na2 -","- B12 H18 N2 Na2 -","- B12 H18 N2 Na2 -","1","0.0833333","","Hansen, Bjarne R. S.; Tumanov, Nikolay; Santoru, Antonio; Pistidda, Claudio; Bednarcik, Jozef; Klassen, Thomas; Dornheim, Martin; Filinchuk, Yaroslav; Jensen, Torben Rene R.","Synthesis, structures and thermal decomposition of ammine MxB12H12 complexes (M = Li, Na, Ca)","Dalton Trans.","2017","","","","","10.1039/C7DT01414G","powder diffraction","","0.775","synchrotron","","","","","","","","","13.0338","1.85","","","","","","","has coordinates","197060","2020-10-21","18:00:00",""
"7043164","8.6875","0.0002","9.4168","0.0003","9.9096","0.0003","90","","98.3296","0.0018","90","","802.14","0.04","295","","295","","","","","","","","","4","P 1 21/n 1","-P 2yn","14","Tetraammine Disodium Dodecahydro-closo-dodecaborate","Tetraammine Disodium Dodecahydro-closo-dodecaborate","","- B12 H24 N4 Na2 -","- B12 H24 N4 Na2 -","- B24 H48 N8 Na4 -","2","0.5","","Hansen, Bjarne R. S.; Tumanov, Nikolay; Santoru, Antonio; Pistidda, Claudio; Bednarcik, Jozef; Klassen, Thomas; Dornheim, Martin; Filinchuk, Yaroslav; Jensen, Torben Rene R.","Synthesis, structures and thermal decomposition of ammine MxB12H12 complexes (M = Li, Na, Ca)","Dalton Trans.","2017","","","","","10.1039/C7DT01414G","powder diffraction","","0.775","synchrotron","","","","","","","","","15.7765","13.5","","","","","","","has coordinates","197060","2020-10-21","18:00:00",""
"7043165","8.4122","0.0003","9.5193","0.0005","9.6434","0.0005","90","","99.472","0.004","90","","761.7","0.06","373","","373","","","","","","","","","4","P 1 21/n 1","-P 2yn","14","Tetraammine Dilithium Dodecahydro-closo-dodecaborate","Tetraammine Dilithium Dodecahydro-closo-dodecaborate","","- B12 H24 Li2 N4 -","- B12 H24 Li2 N4 -","- B24 H48 Li4 N8 -","2","0.5","","Hansen, Bjarne R. S.; Tumanov, Nikolay; Santoru, Antonio; Pistidda, Claudio; Bednarcik, Jozef; Klassen, Thomas; Dornheim, Martin; Filinchuk, Yaroslav; Jensen, Torben Rene R.","Synthesis, structures and thermal decomposition of ammine MxB12H12 complexes (M = Li, Na, Ca)","Dalton Trans.","2017","","","","","10.1039/C7DT01414G","powder diffraction","","0.775","synchrotron","","","","","","","","","21.4201","4.27","","","","","","","has coordinates","197060","2020-10-21","18:00:00",""
"7043166","11.1351","0.0008","20.8269","0.0015","22.1074","0.0016","106.301","0.001","93.324","0.001","94.3","0.001","4890.2","0.6","100","2","100","","","","","","","","","10","P -1","-P 1","2","","","","- C49 H53 Cl2 Co F3 N3 O3.25 P3 Ru S -","- C49 H51 Cl2 Co F3 N3 O3.25 P3 Ru S -","- C196 H204 Cl8 Co4 F12 N12 O13 P12 Ru4 S4 -","4","2","","Mendoza, Zenaida; Lorenzo-Luis, Pablo; Scalambra, Franco; Padrón, José M.; Romerosa, Antonio","Enhancement of the antiproliferative activity of [RuCp(PPh3)2(dmoPTA-1κP)]+ via its coordination to one {CoCl2} unit: synthesis, crystal structure and properties of [RuCp(PPh3)2-μ-dmoPTA-1κP:2κ2N,N’-CoCl2](OTf)·0.25H2O.","Dalton Trans.","2017","","","","","10.1039/C7DT01741C","","","0.71073","MoKα","","0.0517","0.043","","","0.1004","0.1085","","","","","","1.054","","","","has coordinates,has disorder","197119","2020-10-21","18:00:00",""
"7043167","11.6991","0.0003","12.9664","0.0002","14.0745","0.0004","90","","106.735","0.003","90","","2044.61","0.09","113.4","0.3","113.4","0.3","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C16 H34 Cl In N4 -","- C16 H34 Cl In N4 -","- C64 H136 Cl4 In4 N16 -","4","0.5","","Gebhard, Maximilian; Hellwig, Malte; Kroll, Alexander; Rogalla, Detlef; Winter, Manuela; Mallick, Bert; Ludwig, Arne; Wiesing, Martin; Wieck, Andreas D.; Grundmeier, Guido; Devi, Anjana","New amidinate complexes of indium(III): Promising CVD precursors for transparent and conductive In2O3 thin films","Dalton Trans.","2017","","","","","10.1039/C7DT01280B","","x-ray","1.54184","CuKα","","0.0261","0.0249","","","0.0674","0.0681","","","","","","1.111","","","","has coordinates","197120","2020-10-21","18:00:00",""
"7043168","11.7664","0.0008","12.9424","0.0006","14.2147","0.001","90","","106.885","0.007","90","","2071.4","0.2","113.3","0.6","113.3","0.6","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C17 H37 In N4 -","- C17 H37 In N4 -","- C68 H148 In4 N16 -","4","0.5","","Gebhard, Maximilian; Hellwig, Malte; Kroll, Alexander; Rogalla, Detlef; Winter, Manuela; Mallick, Bert; Ludwig, Arne; Wiesing, Martin; Wieck, Andreas D.; Grundmeier, Guido; Devi, Anjana","New amidinate complexes of indium(III): Promising CVD precursors for transparent and conductive In2O3 thin films","Dalton Trans.","2017","","","","","10.1039/C7DT01280B","","x-ray","1.54184","CuKα","","0.0259","0.0245","","","0.0668","0.0681","","","","","","1.125","","","","has coordinates,has disorder","197120","2020-10-21","18:00:00",""
"7043169","16.0982","0.0005","16.0982","0.0005","9.5045","0.0003","90","","90","","120","","2133.12","0.12","110","2","110","2","","","","","","","","4","R 3 :H","R 3","146","","","","- C24 H51 In N6 -","- C24 H51 In N6 -","- C72 H153 In3 N18 -","3","0.333333","","Gebhard, Maximilian; Hellwig, Malte; Kroll, Alexander; Rogalla, Detlef; Winter, Manuela; Mallick, Bert; Ludwig, Arne; Wiesing, Martin; Wieck, Andreas D.; Grundmeier, Guido; Devi, Anjana","New amidinate complexes of indium(III): Promising CVD precursors for transparent and conductive In2O3 thin films","Dalton Trans.","2017","","","","","10.1039/C7DT01280B","","","1.54184","CuKα","","0.0345","0.0345","","","0.0917","0.0917","","","","","","1.126","","","","has coordinates,has disorder","197120","2020-10-21","18:00:00",""
"7043170","11.063","0.004","11.919","0.007","19.901","0.011","87.199","0.012","77.299","0.012","65.471","0.011","2326","2","100","2","100","2","","","","","","","","7","P -1","-P 1","2","","","","- C45 H77 B Li N5 O3 Si2 -","- C45 H77 B Li N5 O3 Si2 -","- C90 H154 B2 Li2 N10 O6 Si4 -","2","1","","Okuda, Jun; Mukherjee, Debabrata; Osseili, Hassan; Spaniol, Thomas Paul","Facile ring-opening of THF at lithium induced by a pendant Si-H bond and BPh3","Dalton Trans.","2017","","","","","10.1039/C7DT01671A","","","0.71073","MoKα","","0.2292","0.0841","","","0.1721","0.2","","","","","","0.835","","","","has coordinates,has disorder","197121","2020-10-21","18:00:00",""
"7043171","9.338","0.006","16.547","0.011","14.617","0.009","90","","90.829","0.015","90","","2258","3","100","2","100","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C30 H80 K2 N10 Si4 -","- C30 H80 K2 N10 Si4 -","- C60 H160 K4 N20 Si8 -","2","0.5","","Okuda, Jun; Mukherjee, Debabrata; Osseili, Hassan; Spaniol, Thomas Paul","Facile ring-opening of THF at lithium induced by a pendant Si-H bond and BPh3","Dalton Trans.","2017","","","","","10.1039/C7DT01671A","","","0.71073","MoKα","","0.1809","0.0717","","","0.1415","0.1783","","","","","","0.887","","","","has coordinates,has disorder","197121","2020-10-21","18:00:00",""
"7043172","22.8739","0.0014","15.6304","0.001","23.9895","0.0016","90","","90.665","0.001","90","","8576.3","1","296","2","296","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C78 H142 Fe2 Mo24 N12 O135 P16 -","- C78 H128 Fe2 Mo24 N12 O135 P16 -","- C156 H256 Fe4 Mo48 N24 O270 P32 -","2","0.5","","Wang, Xiaoxiao; Wang, Jiaojiao; Geng, Zongke; Qian, Zhao; Han, Zhangang","Phosphomolybdate assembly as low-cost catalyst for reduction of toxic Cr(VI) in aqueous solution","Dalton Trans.","2017","","","","","10.1039/C7DT01448A","","","0.71073","MoKα","","0.0395","0.0314","","","0.0778","0.0839","","","","","","1.025","","","","has coordinates,has disorder","197122","2020-10-21","18:00:00",""
"7043173","22.831","0.0013","15.6279","0.0009","24.0618","0.0014","90","","90.69","0.001","90","","8584.6","0.9","296","2","296","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C78 H150 Mo24 N12 O135 P16 Zn2 -","- C78 H128 Mo24 N12 O135 P16 Zn2 -","- C156 H256 Mo48 N24 O270 P32 Zn4 -","2","0.5","","Wang, Xiaoxiao; Wang, Jiaojiao; Geng, Zongke; Qian, Zhao; Han, Zhangang","Phosphomolybdate assembly as low-cost catalyst for reduction of toxic Cr(VI) in aqueous solution","Dalton Trans.","2017","","","","","10.1039/C7DT01448A","","","0.71073","MoKα","","0.0572","0.0392","","","0.0901","0.1008","","","","","","1.026","","","","has coordinates","197122","2020-10-21","18:00:00",""
"7043174","15.4023","0.0009","15.8201","0.0009","17.94","0.001","94.254","0.001","90.922","0.001","91.91","0.001","4356.1","0.4","296","2","296","2","","","","","","","","7","P -1","-P 1","2","","","","- C71.5 H112 Mn2 Mo24 N11 O126 P16 -","- C71.5 H110 Mn2 Mo24 N11 O126 P16 -","- C71.5 H110 Mn2 Mo24 N11 O126 P16 -","1","0.5","","Wang, Xiaoxiao; Wang, Jiaojiao; Geng, Zongke; Qian, Zhao; Han, Zhangang","Phosphomolybdate assembly as low-cost catalyst for reduction of toxic Cr(VI) in aqueous solution","Dalton Trans.","2017","","","","","10.1039/C7DT01448A","","","0.71073","MoKα","","0.0567","0.044","","","0.1234","0.1366","","","","","","1.062","","","","has coordinates,has disorder","197122","2020-10-21","18:00:00",""
"7043175","13.3737","0.0011","15.6103","0.0008","23.0857","0.0018","90","","92.535","0.009","90","","4814.8","0.6","213","2","213","2","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","Tetrakis-[2-((2-oxidoethylimino)methyl)phenolate]-tris(methanol)-tricopper(II) manganese(III) Triiodide","","- C39 H48 Cu3 I3 Mn N4 O11 -","- C39 H48 Cu3 I3 Mn N4 O11 -","- C156 H192 Cu12 I12 Mn4 N16 O44 -","4","1","","Stetsiuk, Oleh; Nesterova, Oksana V.; Kokozay, Vladimir N.; Domasevitch, Kostiantyn V.; Omelchenko, Iryna V.; Shishkin, Oleg V.; Vranovičová, Beata; Boča, Roman; Pombeiro, Armando J. L.; Petrusenko, Svitlana R.","Details make the difference: a family of tetranuclear CuIIMnIII complexes with cube-like and double open cube-like cores","Dalton Trans.","2017","","","","","10.1039/C7DT00957G","","","0.71073","MoKα","","0.0487","0.0309","","","0.0687","0.0718","","","","","","0.858","","","","has coordinates","197123","2020-10-21","18:00:00",""
"7043176","13.5453","0.0004","15.1781","0.0004","26.9837","0.0009","90.892","0.002","103.293","0.002","114.678","0.002","4866.7","0.3","173","2","173","2","","","","","","","","7","P -1","-P 1","2","","Bis-[Tetrakis-[2-((2-oxidoethylimino)methyl)phenolate]-tris(methanol)- tricopper(II) manganese(III)] Tetraisothiocyanatomanganate(II) Dimethanol solvate","","- C84 H104 Cu6 Mn3 N12 O24 S4 -","- C84 H104 Cu6 Mn3 N12 O24 S4 -","- C168 H208 Cu12 Mn6 N24 O48 S8 -","2","1","","Stetsiuk, Oleh; Nesterova, Oksana V.; Kokozay, Vladimir N.; Domasevitch, Kostiantyn V.; Omelchenko, Iryna V.; Shishkin, Oleg V.; Vranovičová, Beata; Boča, Roman; Pombeiro, Armando J. L.; Petrusenko, Svitlana R.","Details make the difference: a family of tetranuclear CuIIMnIII complexes with cube-like and double open cube-like cores","Dalton Trans.","2017","","","","","10.1039/C7DT00957G","","","0.71073","MoKα","","0.1454","0.0573","","","0.0923","0.1118","","","","","","0.904","","","","has coordinates","197123","2020-10-21","18:00:00",""
"7043177","17.9628","0.0014","13.0651","0.0009","19.7336","0.0014","90","","96.001","0.007","90","","4605.8","0.6","105","","105","","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C37 H46 Br Cu3 Mn N4 O12 -","- C37 H46 Br Cu3 Mn N4 O12 -","- C148 H184 Br4 Cu12 Mn4 N16 O48 -","4","1","","Stetsiuk, Oleh; Nesterova, Oksana V.; Kokozay, Vladimir N.; Domasevitch, Kostiantyn V.; Omelchenko, Iryna V.; Shishkin, Oleg V.; Vranovičová, Beata; Boča, Roman; Pombeiro, Armando J. L.; Petrusenko, Svitlana R.","Details make the difference: a family of tetranuclear CuIIMnIII complexes with cube-like and double open cube-like cores","Dalton Trans.","2017","","","","","10.1039/C7DT00957G","","x-ray","0.71073","MoKα","","0.219","0.1023","","","0.2433","0.3183","","","","","","0.978","","","","has coordinates,has disorder","197123","2020-10-21","18:00:00",""
"7043178","18.55","0.0012","12.926","0.0008","19.8784","0.0014","90","","98.17","0.01","90","","4718","0.6","213","2","213","2","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C40 H52 Cu3 Mn N5 O13 S -","- C40 H50 Cu3 Mn N5 O13 S -","- C160 H200 Cu12 Mn4 N20 O52 S4 -","4","1","","Stetsiuk, Oleh; Nesterova, Oksana V.; Kokozay, Vladimir N.; Domasevitch, Kostiantyn V.; Omelchenko, Iryna V.; Shishkin, Oleg V.; Vranovičová, Beata; Boča, Roman; Pombeiro, Armando J. L.; Petrusenko, Svitlana R.","Details make the difference: a family of tetranuclear CuIIMnIII complexes with cube-like and double open cube-like cores","Dalton Trans.","2017","","","","","10.1039/C7DT00957G","","","0.71073","MoKα","","0.073","0.0466","","","0.1315","0.1394","","","","","","0.928","","","","has coordinates,has disorder","197123","2020-10-21","18:00:00",""
"7043179","16.8093","0.0009","13.6009","0.0007","19.1235","0.001","90","","93.479","0.005","90","","4364","0.4","298","","298","","","","","","","","","8","P 1 21/n 1","-P 2yn","14","","","","- C36 H44 B Cu3 F4 Mn N4 O12 -","- C36 H44 B Cu3 F4 Mn N4 O12 -","- C144 H176 B4 Cu12 F16 Mn4 N16 O48 -","4","1","","Stetsiuk, Oleh; Nesterova, Oksana V.; Kokozay, Vladimir N.; Domasevitch, Kostiantyn V.; Omelchenko, Iryna V.; Shishkin, Oleg V.; Vranovičová, Beata; Boča, Roman; Pombeiro, Armando J. L.; Petrusenko, Svitlana R.","Details make the difference: a family of tetranuclear CuIIMnIII complexes with cube-like and double open cube-like cores","Dalton Trans.","2017","","","","","10.1039/C7DT00957G","","x-ray","0.71073","MoKα","","0.1983","0.0778","","","0.2031","0.287","","","","","","0.993","","","","has coordinates,has disorder","197123","2020-10-21","18:00:00",""
"7043180","20.83","0.005","20.83","0.005","20.83","0.005","106.55","0.03","106.55","0.03","106.55","0.03","7617","5","100","2","100","2","","","","","","","","5","R -3 :R","-P 3*","148","","","","- C192 H248.6 Ce21 N21 O118.8 -","- C192 H231 Ce21 N21 O118.8 -","- C192 H231 Ce21 N21 O118.8 -","1","0.166667","","Canaj, Angelos; Siczek, Milosz; Lis, Tadeusz; Murrie, Mark; Brechin, Euan K.; Milios, Constantinos J.","A [Ce21] Keplerate","Dalton Trans.","2017","","","","","10.1039/C7DT01883E","","","0.71073","MoKα","","0.1311","0.0679","","","0.1607","0.1983","","","","","","1.105","","","","has coordinates,has disorder","197124","2020-10-21","18:00:00",""
"7043181","14.933","0.004","7.4965","0.0013","15.999","0.004","90","","102.67","0.007","90","","1747.4","0.7","293","2","293","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C23 H16 N4 O -","- C23 H16 N4 O -","- C92 H64 N16 O4 -","4","1","","Antony, Josephine Kanimozhi; Alexander, V.","Synthesis, Photophysical, and Magnetic Studies of Ternary Lanthanide(III) Complexes of Naphthyl Chromophore Functionalized Imidazo[4,5-f][1,10]phenanthroline and Dibenzoylmethane.","Dalton Trans.","2017","","","","","10.1039/C7DT01133D","","","0.71073","MoKα","","0.0958","0.0507","","","0.1148","0.1414","","","","","","1.06","","","","has coordinates","197138","2020-10-21","18:00:00",""
"7043182","7.8555","0.0011","26.216","0.004","10.0748","0.0017","90","","96.799","0.007","90","","2060.2","0.6","296","2","296","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C24.5 H19.5 N4.5 O2.5 -","- C24.5 H19.5 N4.5 O2.5 -","- C98 H78 N18 O10 -","4","1","","Antony, Josephine Kanimozhi; Alexander, V.","Synthesis, Photophysical, and Magnetic Studies of Ternary Lanthanide(III) Complexes of Naphthyl Chromophore Functionalized Imidazo[4,5-f][1,10]phenanthroline and Dibenzoylmethane.","Dalton Trans.","2017","","","","","10.1039/C7DT01133D","","","0.71073","MoKα","","0.1185","0.0566","","","0.1296","0.167","","","","","","1.015","","","","has coordinates,has disorder","197138","2020-10-21","18:00:00",""
"7043183","28.9848","0.0013","24.5064","0.0013","28.312","0.0012","90","","95.4711","0.0011","90","","20018.8","1.6","103","","103","","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C105 H144 N6 Ni O9 -","- C105 H144 N6 Ni O9 -","- C840 H1152 N48 Ni8 O72 -","8","1","","Parrot, Arnaud; Yuma, Morimoto; Paria, Sayantan; Sugimoto, Hideki; Fujieda, Nobutaka; Itoh, Shinobu","Generation and characterisation of a stable nickel(II)-aminoxyl radical complex","Dalton Trans.","2017","","","","","10.1039/C7DT01789H","","","0.71075","MoKα","","0.208","0.0833","","","0.1816","0.2395","","","","","","0.958","","","","has coordinates,has disorder","197139","2020-10-21","18:00:00",""
"7043184","12.3922","0.0003","12.8999","0.0003","15.5582","0.0005","95.407","0.002","93.756","0.001","118.057","0.001","2167.91","0.1","296","2","296","2","","","","","","","","7","P -1","-P 1","2","","","","- C3 H36 Ba2 Co2 Mo10 N2 O48 -","- C3 H12 Ba2 Co2 Mo10 N2 O48 -","- C6 H24 Ba4 Co4 Mo20 N4 O96 -","2","1","","Hou, Yujiao; An, Haiyan; Ding, Baojun; Li, Yanqin","Evans-Showell-type polyoxometalate constructing novel 3D inorganic architectures with alkaline earth metal linkers: syntheses, structures and catalytic properties","Dalton Trans.","2017","","","","","10.1039/C7DT01302G","","","0.71073","MoKα","","0.0372","0.0327","","","0.0734","0.0753","","","","","","1.09","","","","has coordinates","197140","2020-10-21","18:00:00",""
"7043185","12.2779","0.0016","29.662","0.004","12.7165","0.0018","90","","90","","90","","4631.2","1.1","293","2","293","2","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C6 H48 Co2 Mo10 N4 O46 Sr -","- C6 H24 Co2 Mo10 N4 O46 Sr -","- C24 H96 Co8 Mo40 N16 O184 Sr4 -","4","1","","Hou, Yujiao; An, Haiyan; Ding, Baojun; Li, Yanqin","Evans-Showell-type polyoxometalate constructing novel 3D inorganic architectures with alkaline earth metal linkers: syntheses, structures and catalytic properties","Dalton Trans.","2017","","","","","10.1039/C7DT01302G","","","0.71073","MoKα","","0.0633","0.0368","","","0.051","0.056","","","","","","0.729","","","","has coordinates","197140","2020-10-21","18:00:00",""
"7043186","24.7347","0.0011","10.2557","0.0004","20.8397","0.0014","90","","125.687","0.001","90","","4293.7","0.4","296","2","296","2","","","","","","","","7","C 1 c 1","C -2yc","9","","","","- C4 H38 Co2 Mo10 N4 O45 Sr -","- C4 H20 Co2 Mo10 N4 O45 Sr -","- C16 H80 Co8 Mo40 N16 O180 Sr4 -","4","1","","Hou, Yujiao; An, Haiyan; Ding, Baojun; Li, Yanqin","Evans-Showell-type polyoxometalate constructing novel 3D inorganic architectures with alkaline earth metal linkers: syntheses, structures and catalytic properties","Dalton Trans.","2017","","","","","10.1039/C7DT01302G","","","0.71073","MoKα","","0.0185","0.018","","","0.0462","0.0464","","","","","","1.058","","","","has coordinates","197140","2020-10-21","18:00:00",""
"7043187","17.694","0.002","18.248","0.003","13.2001","0.0018","90","","104.486","0.002","90","","4126.6","1","296","2","296","2","","","","","","","","7","C 1 c 1","C -2yc","9","","","","- C4 H38 Ba Co2 Mo10 N4 O44 -","- C4 H20 Ba Co2 Mo10 N4 O44 -","- C16 H80 Ba4 Co8 Mo40 N16 O176 -","4","1","","Hou, Yujiao; An, Haiyan; Ding, Baojun; Li, Yanqin","Evans-Showell-type polyoxometalate constructing novel 3D inorganic architectures with alkaline earth metal linkers: syntheses, structures and catalytic properties","Dalton Trans.","2017","","","","","10.1039/C7DT01302G","","","0.71073","MoKα","","0.0353","0.034","","","0.0846","0.0855","","","","","","1.031","","","","has coordinates","197140","2020-10-21","18:00:00",""
"7043188","12.9477","0.0003","13.0628","0.0003","16.0243","0.0004","66.952","0.001","86.433","0.001","88.428","0.001","2489.06","0.1","296","2","296","2","","","","","","","","6","P -1","-P 1","2","","","","- C9 H50 Co2 Mo10 N5.5 O43.5 -","- C9 H34.5 Co2 Mo10 N5.5 O43.5 -","- C18 H69 Co4 Mo20 N11 O87 -","2","1","","Hou, Yujiao; An, Haiyan; Ding, Baojun; Li, Yanqin","Evans-Showell-type polyoxometalate constructing novel 3D inorganic architectures with alkaline earth metal linkers: syntheses, structures and catalytic properties","Dalton Trans.","2017","","","","","10.1039/C7DT01302G","","","0.71073","MoKα","","0.0479","0.0438","","","0.1206","0.1237","","","","","","1.06","","","","has coordinates","197140","2020-10-21","18:00:00",""
"7043189","12.981","0.003","13.452","0.003","9.685","0.0013","90","","90","","90","","1691.2","0.6","90","2","90","2","","","","","","","","5","P n m a","-P 2ac 2n","62","","[Cp*Ir(NH(CH2)3CH2CH2)(Cl)2]","","- C15 H26 Cl2 Ir N -","- C15 H26 Cl2 Ir N -","- C60 H104 Cl8 Ir4 N4 -","4","0.5","","Drover, Marcus W.; Schafer, Laurel L.; Love, Jennifer","Dehydrogenation of Cyclic Amines by a Coordinatively Unsaturated Cp*Ir(III) Phosphoramidate Complex","Dalton Trans.","2017","","","","","10.1039/C7DT01499F","","","0.71073","MoKα","","0.0447","0.032","","","0.063","0.0675","","","","","","1.035","","","","has coordinates","197141","2020-10-21","18:00:00",""
"7043190","10.744","0.003","13.537","0.003","18.633","0.004","90","","96.263","0.006","90","","2693.8","1.1","90","2","90","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","[Cp*Ir(NH(CH2)2CH2CH2)2(Cl)][Cl]","","- C20 H37 Cl6 Ir N2 -","- C20 H37 Cl6 Ir N2 -","- C80 H148 Cl24 Ir4 N8 -","4","1","","Drover, Marcus W.; Schafer, Laurel L.; Love, Jennifer","Dehydrogenation of Cyclic Amines by a Coordinatively Unsaturated Cp*Ir(III) Phosphoramidate Complex","Dalton Trans.","2017","","","","","10.1039/C7DT01499F","","","0.71073","MoKα","","0.0254","0.0226","","","0.0573","0.0587","","","","","","1.036","","","","has coordinates","197141","2020-10-21","18:00:00",""
"7043191","12.7608","0.0013","13.368","0.0015","17.248","0.0018","93.337","0.002","110.084","0.002","103.367","0.002","2657.8","0.5","90","2","90","2","","","","","","","","7","P -1","-P 1","2","","iridium(imine)6-membered","","- C52 H47 B Cl0.22 F24 Ir N2 -","- C52 H47 B Cl0.218 F24 Ir N2 -","- C104 H94 B2 Cl0.436 F48 Ir2 N4 -","2","1","","Drover, Marcus W.; Schafer, Laurel L.; Love, Jennifer","Dehydrogenation of Cyclic Amines by a Coordinatively Unsaturated Cp*Ir(III) Phosphoramidate Complex","Dalton Trans.","2017","","","","","10.1039/C7DT01499F","","","0.71073","MoKα","","0.056","0.0443","","","0.1079","0.1145","","","","","","1.033","","","","has coordinates,has disorder","197141","2020-10-21","18:00:00",""
"7043192","12.7119","0.0015","12.8605","0.0016","17.518","0.002","94.122","0.003","110.854","0.003","103.523","0.003","2563.9","0.5","90","2","90","2","","","","","","","","6","P -1","-P 1","2","","[Cp*Ir(H)(imine)2][BArF4]","","- C50 H43.01 B F24 Ir N2 -","- C50 H43.016 B F24 Ir N2 -","- C100 H86.032 B2 F48 Ir2 N4 -","2","1","","Drover, Marcus W.; Schafer, Laurel L.; Love, Jennifer","Dehydrogenation of Cyclic Amines by a Coordinatively Unsaturated Cp*Ir(III) Phosphoramidate Complex","Dalton Trans.","2017","","","","","10.1039/C7DT01499F","","","0.71073","MoKα","","0.0448","0.0388","","","0.0973","0.1005","","","","","","1.048","","","","has coordinates,has disorder","197141","2020-10-21","18:00:00",""
"7043193","7.6355","0.0001","19.7062","0.0004","10.2494","0.0002","90","","100.436","0.001","90","","1516.68","0.05","170","2","170","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C28 H32 Cu N6 O12 -","- C28 H32 Cu N6 O12 -","- C56 H64 Cu2 N12 O24 -","2","0.5","","Perlepes, Spyros P.; Lada, Zoi G.; Sanakis, Yiannis; Raptopoulou, Catherine P.; Psycharis, Vassilis; Mitrikas, George","Probing the electronic structure of a copper(II) complex with a ligand derived from a rare metal ion-assisted, crossed-aldol reaction of acetone with di-2-pyridyl ketone by cw- and pulse-EPR spectroscopy","Dalton Trans.","2017","","","","","10.1039/C7DT01785E","","","1.54178","CuKα","","0.0361","0.0311","","","0.0819","0.0868","","","","","","1.076","","","","has coordinates","197142","2020-10-21","18:00:00",""
"7043194","9.5008","0.0001","15.6009","0.0002","21.61","0.0003","95.646","0.001","96.197","0.001","94.683","0.001","3155.08","0.07","100","2","100","2","","","","","","","","6","P -1","-P 1","2","","","","- C34 H34 Au F18 N10 P3 -","- C34 H34 Au F18 N10 P3 -","- C102 H102 Au3 F54 N30 P9 -","3","1.5","","Mageed, Ahmed Hassoon; Skelton, Brian W.; Baker, Murray V.","Stable AuIII complexes with four N-heterocyclic carbene groups can be prepared in high yield directly from KAuCl4.","Dalton Trans.","2017","","","","","10.1039/C7DT01272A","","x-ray","0.71073","MoKα","","0.0316","0.0252","","","0.0552","0.0576","","","","","","1.06","","","","has coordinates,has disorder","197187","2020-10-21","18:00:00",""
"7043195","19.5075","0.0005","11.1838","0.0002","18.0374","0.0004","90","","113.442","0.003","90","","3610.39","0.16","100","2","100","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C24 H34 Au F18 N10 P3 -","- C24 H34 Au F18 N10 P3 -","- C96 H136 Au4 F72 N40 P12 -","4","0.5","","Mageed, Ahmed Hassoon; Skelton, Brian W.; Baker, Murray V.","Stable AuIII complexes with four N-heterocyclic carbene groups can be prepared in high yield directly from KAuCl4.","Dalton Trans.","2017","","","","","10.1039/C7DT01272A","","x-ray","0.71073","MoKα","","0.0475","0.0263","","","0.0531","0.0604","","","","","","1.047","","","","has coordinates,has disorder","197187","2020-10-21","18:00:00",""
"7043196","8.452","0.0003","21.5282","0.0005","14.1226","0.0004","90","","101.964","0.003","90","","2513.88","0.13","100","2","100","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C21 H32 Au Cl3 N8 O -","- C21 H32 Au Cl3 N8 O -","- C84 H128 Au4 Cl12 N32 O4 -","4","1","","Mageed, Ahmed Hassoon; Skelton, Brian W.; Baker, Murray V.","Stable AuIII complexes with four N-heterocyclic carbene groups can be prepared in high yield directly from KAuCl4.","Dalton Trans.","2017","","","","","10.1039/C7DT01272A","","x-ray","0.71073","MoKα","","0.0681","0.046","","","0.0765","0.0819","","","","","","1.092","","","","has coordinates","197187","2020-10-21","18:00:00",""
"7043197","11.5286","0.0004","18.4128","0.0005","16.9015","0.0006","90","","98.985","0.003","90","","3543.7","0.2","100","2","100","2","","","","","","","","6","I 1 2/m 1","-I 2y","12","","","","- C33.5 H42 Au Cl3 N8 O3.5 -","- C33.5 H30 Au Cl3 N8 O3.5 -","- C134 H120 Au4 Cl12 N32 O14 -","4","0.5","","Mageed, Ahmed Hassoon; Skelton, Brian W.; Baker, Murray V.","Stable AuIII complexes with four N-heterocyclic carbene groups can be prepared in high yield directly from KAuCl4.","Dalton Trans.","2017","","","","","10.1039/C7DT01272A","","x-ray","1.54184","CuKα","","0.0691","0.0546","","","0.143","0.1541","","","","","","1.117","","","","has coordinates,has disorder","197187","2020-10-21","18:00:00",""
"7043198","11.2465","0.0004","12.5742","0.0005","18.51","0.0007","90","","100.893","0.004","90","","2570.44","0.17","100","2","100","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C20 H32 Au Cl3 N8 O2 -","- C20 H32 Au Cl3 N8 O2 -","- C80 H128 Au4 Cl12 N32 O8 -","4","1","","Mageed, Ahmed Hassoon; Skelton, Brian W.; Baker, Murray V.","Stable AuIII complexes with four N-heterocyclic carbene groups can be prepared in high yield directly from KAuCl4.","Dalton Trans.","2017","","","","","10.1039/C7DT01272A","","x-ray","0.71073","MoKα","","0.0712","0.0628","","","0.1842","0.1887","","","","","","1.105","","","","has coordinates","197187","2020-10-21","18:00:00",""
"7043199","19.6697","0.0005","11.0832","0.0002","17.0857","0.0006","90","","113.018","0.004","90","","3428.18","0.19","100","2","100","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C22 H30 Au F18 N10 P3 -","- C22 H30 Au F18 N10 P3 -","- C88 H120 Au4 F72 N40 P12 -","4","0.5","","Mageed, Ahmed Hassoon; Skelton, Brian W.; Baker, Murray V.","Stable AuIII complexes with four N-heterocyclic carbene groups can be prepared in high yield directly from KAuCl4.","Dalton Trans.","2017","","","","","10.1039/C7DT01272A","","x-ray","0.71073","MoKα","","0.0437","0.0302","","","0.066","0.0711","","","","","","1.124","","","","has coordinates,has disorder","197187","2020-10-21","18:00:00",""
"7043200","8.6727","0.0011","11.9317","0.0013","9.0332","0.0012","90","","92.233","0.014","90","","934","0.2","100","2","100","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C5 H10 Mn N2 O6 -","- C5 H10 Mn N2 O6 -","- C20 H40 Mn4 N8 O24 -","4","1","","maczka, miroslaw; Janczak, Jan; Trzebiatowska, Monika; Sieradzki, Adam; Pawlus, Sebastian; Pikul, Adam","Synthesis and temperature-dependent studies of perovskite-like manganese formate framework templated by protonated acetamidine","Dalton Trans.","2017","","","","","10.1039/C7DT01251A","","","0.71073","MoKα","","0.084","0.0487","","","0.0852","0.1013","","","","","","1","","","","has coordinates","197189","2020-10-21","18:00:00",""
"7043201","8.7482","0.0017","12.089","0.002","9.0317","0.0018","90","","90","","90","","955.2","0.3","320","2","320","2","","","","","","","","5","I m m a","-I 2b 2","74","","","","- C5 H10 Mn N2 O6 -","- C5 H10 Mn N2 O6 -","- C20 H40 Mn4 N8 O24 -","4","0.25","","maczka, miroslaw; Janczak, Jan; Trzebiatowska, Monika; Sieradzki, Adam; Pawlus, Sebastian; Pikul, Adam","Synthesis and temperature-dependent studies of perovskite-like manganese formate framework templated by protonated acetamidine","Dalton Trans.","2017","","","","","10.1039/C7DT01251A","","","0.71073","MoKα","","0.0371","0.0315","","","0.0855","0.0898","","","","","","1.004","","","","has coordinates,has disorder","197189","2020-10-21","18:00:00",""
"7043202","22.345","0.0009","22.345","0.0009","34.5488","0.0015","90","","90","","120","","14939.1","1.1","296.15","","296.15","","","","","","","","","7","R -3 c","-R 3 2""c","167","","","","- C18 H24 Ag3 As Mo9 N12 O31 -","- C18 H24 Ag3 As Mo9 N12 O31 -","- C216 H288 Ag36 As12 Mo108 N144 O372 -","12","","","Cong, Bo-Wen; Su, Zhan-Hua; Zhao, Zhi-Feng; Yu, Bao-Yi; Zhao, Wen-Qi; Ma, Xiu-Juan","Two unusual 3D honeycomb networks based on Wells‒Dawson arsenomolybdates with d10 transition-metal-pyrazole connectors","Dalton Trans.","2017","","","","","10.1039/C7DT01240C","","","0.71073","MoKα","","0.0534","0.0323","","","0.0638","0.0734","","","","","","1.026","","","","has coordinates,has disorder","197190","2020-10-21","18:00:00",""
"7043203","22.1967","0.0008","22.1967","0.0008","34.78","0.003","90","","90","","120","","14840.1","1.5","296","2","296.15","","","","","","","","","7","R -3 c","-R 3 2""c","167","","","","- C18 H24 As Cu3 Mo9 N12 O31 -","- C18 H24 As Cu3 Mo9 N12 O31 -","- C216 H288 As12 Cu36 Mo108 N144 O372 -","12","","","Cong, Bo-Wen; Su, Zhan-Hua; Zhao, Zhi-Feng; Yu, Bao-Yi; Zhao, Wen-Qi; Ma, Xiu-Juan","Two unusual 3D honeycomb networks based on Wells‒Dawson arsenomolybdates with d10 transition-metal-pyrazole connectors","Dalton Trans.","2017","","","","","10.1039/C7DT01240C","","","0.71073","MoKα","","0.0647","0.0381","","","0.0774","0.0961","","","","","","1.137","","","","has coordinates,has disorder","197190","2020-10-21","18:00:00",""
"7043204","11.544","0.0006","12.9028","0.0013","13.2418","0.0014","116.569","0.01","91.069","0.006","99.752","0.006","1728.6","0.3","200","2","200","2","","","","","","","","6","P -1","-P 1","2","","","","- C39 H36 Cl2 N5 P Pd -","- C39 H36 Cl2 N5 P Pd -","- C78 H72 Cl4 N10 P2 Pd2 -","2","1","","Visannagari, Ramakrishna; Nareddula, Dastagiri Reddy","Synthesis of Zwitterionic Palladium Complexes and Their Application as Catalysts in Cross-Coupling Reactions of Aryl, Heteroaryl and Benzyl Bromides with Organoboron Reagents in Neat Water","Dalton Trans.","2017","","","","","10.1039/C7DT01433C","","","0.71073","MoKα","","0.1507","0.0792","","","0.1825","0.224","","","","","","1.002","","","","has coordinates","197191","2020-10-21","18:00:00",""
"7043205","10.5933","0.0003","15.7459","0.0004","25.1218","0.0015","90","","93.177","0.003","90","","4183.9","0.3","150","2","150","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C45 H45 Cl2 N6 P Pd -","- C45 H45 Cl2 N6 P Pd -","- C180 H180 Cl8 N24 P4 Pd4 -","4","1","","Visannagari, Ramakrishna; Nareddula, Dastagiri Reddy","Synthesis of Zwitterionic Palladium Complexes and Their Application as Catalysts in Cross-Coupling Reactions of Aryl, Heteroaryl and Benzyl Bromides with Organoboron Reagents in Neat Water","Dalton Trans.","2017","","","","","10.1039/C7DT01433C","","","0.71073","MoKα","","0.0518","0.0341","","","0.0653","0.0702","","","","","","1.052","","","","has coordinates","197191","2020-10-21","18:00:00",""
"7043206","24.3122","0.0014","8.5288","0.0006","10.4839","0.0008","90","","90","","90","","2173.9","0.3","150","2","150","2","","","","","","","","6","P c a 21","P 2c -2ac","29","","","","- C20 H18 Cl F6 N4 P -","- C20 H18 Cl F6 N4 P -","- C80 H72 Cl4 F24 N16 P4 -","4","1","","Visannagari, Ramakrishna; Nareddula, Dastagiri Reddy","Synthesis of Zwitterionic Palladium Complexes and Their Application as Catalysts in Cross-Coupling Reactions of Aryl, Heteroaryl and Benzyl Bromides with Organoboron Reagents in Neat Water","Dalton Trans.","2017","","","","","10.1039/C7DT01433C","","","0.71073","MoKα","","0.1311","0.0778","","","0.1981","0.2391","","","","","","1.047","","","","has coordinates","197191","2020-10-21","18:00:00",""
"7043207","9.2199","0.0005","11.5698","0.0007","17.5646","0.001","83.401","0.005","88.501","0.005","70.238","0.006","1751.47","0.19","150","2","150","2","","","","","","","","6","P -1","-P 1","2","","","","- C41 H38 Cl N4 P Pd -","- C41 H38 Cl N4 P Pd -","- C82 H76 Cl2 N8 P2 Pd2 -","2","1","","Visannagari, Ramakrishna; Nareddula, Dastagiri Reddy","Synthesis of Zwitterionic Palladium Complexes and Their Application as Catalysts in Cross-Coupling Reactions of Aryl, Heteroaryl and Benzyl Bromides with Organoboron Reagents in Neat Water","Dalton Trans.","2017","","","","","10.1039/C7DT01433C","","","0.71073","MoKα","","0.0761","0.0537","","","0.1284","0.1406","","","","","","1.056","","","","has coordinates","197191","2020-10-21","18:00:00",""
"7043208","7.2346","0.0004","9.1795","0.0005","13.2726","0.0008","86.782","0.005","77.574","0.005","70.405","0.005","810.81","0.09","128","17","128","17","","","","","","","","5","P -1","-P 1","2","","","","- C15 H18 Cl2 N4 O2 -","- C15 H18 Cl2 N4 O2 -","- C30 H36 Cl4 N8 O4 -","2","1","","Visannagari, Ramakrishna; Nareddula, Dastagiri Reddy","Synthesis of Zwitterionic Palladium Complexes and Their Application as Catalysts in Cross-Coupling Reactions of Aryl, Heteroaryl and Benzyl Bromides with Organoboron Reagents in Neat Water","Dalton Trans.","2017","","","","","10.1039/C7DT01433C","","","0.71073","MoKα","","0.0448","0.0369","","","0.0948","0.1008","","","","","","1.056","","","","has coordinates","197191","2020-10-21","18:00:00",""
"7043209","13.3244","0.0004","15.4366","0.0004","20.4811","0.0006","87.426","0.002","88.905","0.002","66.105","0.003","3847.7","0.2","150","2","150","2","","","","","","","","6","P -1","-P 1","2","","","","- C42 H39 Cl2 N6 P Pd -","- C42 H39 Cl2 N6 P Pd -","- C168 H156 Cl8 N24 P4 Pd4 -","4","2","","Visannagari, Ramakrishna; Nareddula, Dastagiri Reddy","Synthesis of Zwitterionic Palladium Complexes and Their Application as Catalysts in Cross-Coupling Reactions of Aryl, Heteroaryl and Benzyl Bromides with Organoboron Reagents in Neat Water","Dalton Trans.","2017","","","","","10.1039/C7DT01433C","","","0.71073","MoKα","","0.0884","0.0674","","","0.162","0.1718","","","","","","1.173","","","","has coordinates","197191","2020-10-21","18:00:00",""
"7043210","10.3241","0.0005","12.9973","0.0008","14.0496","0.0008","114.879","0.006","101.803","0.005","99.558","0.005","1605.3","0.2","100","","100","","","","","","","","","5","P -1","-P 1","2","","","","- C56 H72 Bi4 O10 S8 -","- C56 H72 Bi4 O10 S8 -","- C56 H72 Bi4 O10 S8 -","1","0.5","","Mehring, Michael; Preda, Ana Maria; Schneider, Wolfgang B.; Rainer, Martin; Rueffer, Tobias; Schaarschmidt, Dieter; Lang, Heinrich","Heteroaryl Bismuthines: A Novel Synthetic Concept and Metal···π Heteroarene Interaction","Dalton Trans.","2017","","","","","10.1039/C7DT01437F","","","0.71073","MoKα","","0.0427","0.0313","","","0.0763","0.0779","","","","","","0.982","","","","has coordinates","197192","2020-10-21","18:00:00",""
"7043211","20.8317","0.0007","18.9174","0.0005","11.751","0.0003","90","","90","","90","","4630.9","0.2","110","","110","","","","","","","","","5","P c c n","-P 2ab 2ac","56","","","","- C21 H27 Bi O3 S3 -","- C21 H27 Bi O3 S3 -","- C168 H216 Bi8 O24 S24 -","8","1","","Mehring, Michael; Preda, Ana Maria; Schneider, Wolfgang B.; Rainer, Martin; Rueffer, Tobias; Schaarschmidt, Dieter; Lang, Heinrich","Heteroaryl Bismuthines: A Novel Synthetic Concept and Metal···π Heteroarene Interaction","Dalton Trans.","2017","","","","","10.1039/C7DT01437F","","","0.71073","MoKα","","0.0374","0.0222","","","0.0401","0.0416","","","","","","0.893","","","","has coordinates,has disorder","197192","2020-10-21","18:00:00",""
"7043212","7.1009","0.001","8.0234","0.0011","13.7128","0.0015","77.669","0.011","75.569","0.011","83.657","0.011","737.8","0.17","110","","110","","","","","","","","","4","P -1","-P 1","2","","","","- C15 H18 Bi N3 -","- C15 H18 Bi N3 -","- C30 H36 Bi2 N6 -","2","1","","Mehring, Michael; Preda, Ana Maria; Schneider, Wolfgang B.; Rainer, Martin; Rueffer, Tobias; Schaarschmidt, Dieter; Lang, Heinrich","Heteroaryl Bismuthines: A Novel Synthetic Concept and Metal···π Heteroarene Interaction","Dalton Trans.","2017","","","","","10.1039/C7DT01437F","","","1.54184","CuKα","","0.1067","0.0959","","","0.2606","0.2733","","","","","","1.2","","","","has coordinates","197192","2020-10-21","18:00:00",""
"7043213","8.9848","0.0008","9.3411","0.0007","9.6115","0.0011","64.493","0.009","71.427","0.009","66.556","0.008","657.31","0.12","100","","100","","","","","","","","","4","P -1","-P 1","2","","","","- C12 H9 Bi S3 -","- C12 H9 Bi S3 -","- C24 H18 Bi2 S6 -","2","1","","Mehring, Michael; Preda, Ana Maria; Schneider, Wolfgang B.; Rainer, Martin; Rueffer, Tobias; Schaarschmidt, Dieter; Lang, Heinrich","Heteroaryl Bismuthines: A Novel Synthetic Concept and Metal···π Heteroarene Interaction","Dalton Trans.","2017","","","","","10.1039/C7DT01437F","","","0.71073","MoKα","","0.0233","0.02","","","0.0461","0.0473","","","","","","1.067","","","","has coordinates,has disorder","197192","2020-10-21","18:00:00",""
"7043214","6.2842","0.0004","8.3495","0.0007","13.7048","0.0011","77.414","0.007","79.252","0.006","81.297","0.006","684.89","0.09","120","","120","","","","","","","","","4","P -1","-P 1","2","","","","- C12 H9 Bi Se3 -","- C12 H9 Bi Se3 -","- C24 H18 Bi2 Se6 -","2","1","","Mehring, Michael; Preda, Ana Maria; Schneider, Wolfgang B.; Rainer, Martin; Rueffer, Tobias; Schaarschmidt, Dieter; Lang, Heinrich","Heteroaryl Bismuthines: A Novel Synthetic Concept and Metal···π Heteroarene Interaction","Dalton Trans.","2017","","","","","10.1039/C7DT01437F","","","0.71073","MoKα","","0.0527","0.0433","","","0.0803","0.0848","","","","","","0.994","","","","has coordinates,has disorder","197192","2020-10-21","18:00:00",""
"7043215","41.799","0.003","6.3123","0.0006","10.6006","0.0006","90","","90","","90","","2796.9","0.4","120","","120","","","","","","","","","5","P n a 21","P 2c -2n","33","","","","- C21 H33 Bi S3 Si3 -","- C21 H33 Bi S3 Si3 -","- C84 H132 Bi4 S12 Si12 -","4","1","","Mehring, Michael; Preda, Ana Maria; Schneider, Wolfgang B.; Rainer, Martin; Rueffer, Tobias; Schaarschmidt, Dieter; Lang, Heinrich","Heteroaryl Bismuthines: A Novel Synthetic Concept and Metal···π Heteroarene Interaction","Dalton Trans.","2017","","","","","10.1039/C7DT01437F","","","0.71073","MoKα","","0.0628","0.0501","","","0.1116","0.1211","","","","","","1.032","","","","has coordinates","197192","2020-10-21","18:00:00",""
"7043216","10.6835","0.0018","17.274","0.003","17.745","0.003","90","","90","","90","","3274.8","1","100","2","100","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C21 H56 N6 Si4 Sr -","- C21 H56 N6 Si4 Sr -","- C84 H224 N24 Si16 Sr4 -","4","1","","Mukherjee, Debabrata; Shirase, Satoru; Beckerle, Klaus; Spaniol, Thomas Paul; Mashima, Kazushi; Okuda, Jun","Group 2 metal (Mg, Ca, Sr) silylamides supported by a cyclen-derived macrocyclic polyamine","Dalton Trans.","2017","","","","","10.1039/C7DT01727H","","","0.71073","MoKα","","0.0894","0.0572","","","0.1131","0.1262","","","","","","0.928","","","","has coordinates","197193","2020-10-21","18:00:00",""
"7043217","9.2006","0.0018","9.5438","0.0009","19.291","0.0018","81.0103","0.0014","87.2999","0.0015","68.1159","0.0014","1552.4","0.4","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","","","- C19 H52 N6 Si4 Sr -","- C19 H52 N6 Si4 Sr -","- C38 H104 N12 Si8 Sr2 -","2","1","","Mukherjee, Debabrata; Shirase, Satoru; Beckerle, Klaus; Spaniol, Thomas Paul; Mashima, Kazushi; Okuda, Jun","Group 2 metal (Mg, Ca, Sr) silylamides supported by a cyclen-derived macrocyclic polyamine","Dalton Trans.","2017","","","","","10.1039/C7DT01727H","","","0.71073","MoKα","","0.0392","0.0322","","","0.0764","0.0796","","","","","","0.943","","","","has coordinates","197193","2020-10-21","18:00:00",""
"7043218","21.541","0.002","10.41","0.0011","16.409","0.005","90","","121.653","0.0015","90","","3132.2","1.1","100","2","100","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C19 H54 N6 Si4 Sr -","- C19 H54 N6 Si4 Sr -","- C76 H216 N24 Si16 Sr4 -","4","0.5","","Mukherjee, Debabrata; Shirase, Satoru; Beckerle, Klaus; Spaniol, Thomas Paul; Mashima, Kazushi; Okuda, Jun","Group 2 metal (Mg, Ca, Sr) silylamides supported by a cyclen-derived macrocyclic polyamine","Dalton Trans.","2017","","","","","10.1039/C7DT01727H","","","0.71073","MoKα","","0.0386","0.029","","","0.0686","0.0718","","","","","","1.033","","","","has coordinates,has disorder","197193","2020-10-21","18:00:00",""
"7043219","9.3831","0.0012","26.657","0.003","9.8491","0.0012","90","","100.519","0.002","90","","2422.1","0.5","100","2","100","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C34 H86 N10 Si4 Sr2 -","- C34 H86 N10 Si4 Sr2 -","- C68 H172 N20 Si8 Sr4 -","2","0.5","","Mukherjee, Debabrata; Shirase, Satoru; Beckerle, Klaus; Spaniol, Thomas Paul; Mashima, Kazushi; Okuda, Jun","Group 2 metal (Mg, Ca, Sr) silylamides supported by a cyclen-derived macrocyclic polyamine","Dalton Trans.","2017","","","","","10.1039/C7DT01727H","","","0.71073","MoKα","","0.0608","0.0403","","","0.0827","0.0898","","","","","","1.01","","","","has coordinates,has disorder","197193","2020-10-21","18:00:00",""
"7043220","17.331","0.015","13.273","0.012","18.878","0.018","90","","90","","90","","4343","7","110","2","110","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C15 H39 Mg N5 Si2 -","- C15 H39 Mg N5 Si2 -","- C120 H312 Mg8 N40 Si16 -","8","1","","Mukherjee, Debabrata; Shirase, Satoru; Beckerle, Klaus; Spaniol, Thomas Paul; Mashima, Kazushi; Okuda, Jun","Group 2 metal (Mg, Ca, Sr) silylamides supported by a cyclen-derived macrocyclic polyamine","Dalton Trans.","2017","","","","","10.1039/C7DT01727H","","","0.71073","MoKα","","0.0509","0.0394","","","0.0962","0.1046","","","","","","1.04","","","","has coordinates","197193","2020-10-21","18:00:00",""
"7043221","13.2302","0.0004","19.095","0.0006","20.3691","0.001","112.394","0.002","98.802","0.002","103.443","0.001","4457.3","0.3","173","2","173","2","","","","","","","","6","P -1","-P 1","2","","","","- C98 H72 Cl4 N4 O8 Ti2 -","- C98 H72 Cl4 N4 O8 Ti2 -","- C196 H144 Cl8 N8 O16 Ti4 -","2","1","","Baradel, Nathalie; Mobian, Pierre; Khalil, Georges; Henry, Marc","Titanium(iv)-based helicates incorporating the ortho-phenylenediamine ligand: a structural and a computational investigation","Dalton Trans.","2017","","","","","10.1039/C7DT00912G","","","0.71073","MoKα","","0.1357","0.0771","","","0.2294","0.2584","","","","","","1.153","","","","has coordinates","206958","2020-10-21","18:00:00",""
"7043222","20.7047","0.0013","10.1712","0.0006","23.1159","0.0016","90","","90","","90","","4868","0.5","293","2","293","2","","","","","","","","7","P b c a","-P 2ac 2ab","61","","","","- C23 H21 Cl Cu F6 N2 O3 -","- C23 H21 Cl Cu F6 N2 O3 -","- C184 H168 Cl8 Cu8 F48 N16 O24 -","8","1","","Zhan, Guangli; Zhong, Wei; Wei, Zhenhong; Liu, Zhenzhen; Liu, Xiaoming","The roles of the phenol groups and auxiliary ligand of copper(II) complexes with tetradentate ligands in aerobic oxidation of benzyl alcohol","Dalton Trans.","2017","","","","","10.1039/C7DT01716B","","","1.54184","CuKα","","0.1305","0.0696","","","0.2153","0.2866","","","","","","1.051","","","","has coordinates","197195","2020-10-21","18:00:00",""
"7043223","8.8818","0.0006","13.1134","0.0012","15.0612","0.0011","86.369","0.007","84.135","0.006","87.885","0.006","1740.7","0.2","293","2","293","2","","","","","","","","6","P -1","-P 1","2","","","","- C33 H43 Cl2 Cu N2 O6 -","- C33 H43 Cl2 Cu N2 O6 -","- C66 H86 Cl4 Cu2 N4 O12 -","2","1","","Zhan, Guangli; Zhong, Wei; Wei, Zhenhong; Liu, Zhenzhen; Liu, Xiaoming","The roles of the phenol groups and auxiliary ligand of copper(II) complexes with tetradentate ligands in aerobic oxidation of benzyl alcohol","Dalton Trans.","2017","","","","","10.1039/C7DT01716B","","","0.71073","MoKα","","0.0702","0.0498","","","0.1069","0.1191","","","","","","1.035","","","","has coordinates","197195","2020-10-21","18:00:00",""
"7043224","9.976","0.0006","13.6021","0.001","18.6777","0.001","93.225","0.005","102.814","0.005","94.021","0.005","2458.5","0.3","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C25 H29 Cu N3 O4 -","- C25 H29 Cu N3 O4 -","- C100 H116 Cu4 N12 O16 -","4","2","","Zhan, Guangli; Zhong, Wei; Wei, Zhenhong; Liu, Zhenzhen; Liu, Xiaoming","The roles of the phenol groups and auxiliary ligand of copper(II) complexes with tetradentate ligands in aerobic oxidation of benzyl alcohol","Dalton Trans.","2017","","","","","10.1039/C7DT01716B","","","1.54178","CuKα","","0.104","0.071","","","0.2095","0.3003","","","","","","1.046","","","","has coordinates","197195","2020-10-21","18:00:00",""
"7043225","21.3336","0.0005","10.4005","0.0003","23.4451","0.0006","90","","90","","90","","5202","0.2","293","2","293","2","","","","","","","","7","P b c a","-P 2ac 2ab","61","","","","- C26 H30 Cl Cu F3 N2 O3 -","- C26 H30 Cl Cu F3 N2 O3 -","- C208 H240 Cl8 Cu8 F24 N16 O24 -","8","1","","Zhan, Guangli; Zhong, Wei; Wei, Zhenhong; Liu, Zhenzhen; Liu, Xiaoming","The roles of the phenol groups and auxiliary ligand of copper(II) complexes with tetradentate ligands in aerobic oxidation of benzyl alcohol","Dalton Trans.","2017","","","","","10.1039/C7DT01716B","","","1.54184","CuKα","","0.075","0.0578","","","0.1792","0.2003","","","","","","1.045","","","","has coordinates","197195","2020-10-21","18:00:00",""
"7043226","11.8961","0.0013","12.6494","0.0011","17.4128","0.0017","90","","97.542","0.009","90","","2597.6","0.4","293","2","293","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C27 H29 Cu F3 N2 O4 -","- C27 H29 Cu F3 N2 O4 -","- C108 H116 Cu4 F12 N8 O16 -","4","1","","Zhan, Guangli; Zhong, Wei; Wei, Zhenhong; Liu, Zhenzhen; Liu, Xiaoming","The roles of the phenol groups and auxiliary ligand of copper(II) complexes with tetradentate ligands in aerobic oxidation of benzyl alcohol","Dalton Trans.","2017","","","","","10.1039/C7DT01716B","","","1.54184","CuKα","","0.1607","0.0592","","","0.106","0.1541","","","","","","0.993","","","","has coordinates","197195","2020-10-21","18:00:00",""
"7043227","20.8318","0.0006","11.7725","0.0003","21.1703","0.0006","90","","111.074","0.003","90","","4844.6","0.3","293","2","293","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C24 H20 Cu F6 N2 O4 -","- C24 H20 Cu F6 N2 O4 -","- C192 H160 Cu8 F48 N16 O32 -","8","2","","Zhan, Guangli; Zhong, Wei; Wei, Zhenhong; Liu, Zhenzhen; Liu, Xiaoming","The roles of the phenol groups and auxiliary ligand of copper(II) complexes with tetradentate ligands in aerobic oxidation of benzyl alcohol","Dalton Trans.","2017","","","","","10.1039/C7DT01716B","","","0.71073","MoKα","","0.067","0.0398","","","0.1005","0.1104","","","","","","1.065","","","","has coordinates","197195","2020-10-21","18:00:00",""
"7043228","12.4958","0.0003","13.7745","0.0003","14.0233","0.0003","90","","90","","90","","2413.74","0.09","293","2","293","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","SnFeSeCN","","","- C8 Fe N5 Se7 Sn3 -","- C8 Fe N5 Se7 Sn3 -","- C32 Fe4 N20 Se28 Sn12 -","4","1","","Hu, Dandan; Zhang, Yingying; Yang, Huajun; Lin, Jian; Wu, Tao","Structural transformation of selenidostannates from 1D to 0D and 2D via a stepwise amine-templated assembly strategy","Dalton Trans.","2017","","","","","10.1039/C7DT01546A","","","0.71073","MoKα","","0.0474","0.0434","","","0.0998","0.1025","","","","","","1.064","","","","has coordinates","197196","2020-10-21","18:00:00",""
"7043229","10.3277","0.0004","10.2808","0.0004","15.7823","0.0006","90","","96.725","0.004","90","","1664.19","0.11","293","2","293","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C20 N4 Se6 Sn2 -","- C20 N4 Se6 Sn2 -","- C40 N8 Se12 Sn4 -","2","0.5","","Hu, Dandan; Zhang, Yingying; Yang, Huajun; Lin, Jian; Wu, Tao","Structural transformation of selenidostannates from 1D to 0D and 2D via a stepwise amine-templated assembly strategy","Dalton Trans.","2017","","","","","10.1039/C7DT01546A","","","0.71073","MoKα","","0.0585","0.0429","","","0.114","0.1264","","","","","","1.088","","","","has coordinates","197196","2020-10-21","18:00:00",""
"7043230","13.4435","0.0004","24.4817","0.0006","14.4494","0.0004","90","","90","","90","","4755.6","0.2","293","2","293","2","","","","","","","","4","C m c 21","C 2c -2","36","","","","- C28 N8 Se28 Sn12 -","- C28 N8 Se28 Sn12 -","- C56 N16 Se56 Sn24 -","2","0.25","","Hu, Dandan; Zhang, Yingying; Yang, Huajun; Lin, Jian; Wu, Tao","Structural transformation of selenidostannates from 1D to 0D and 2D via a stepwise amine-templated assembly strategy","Dalton Trans.","2017","","","","","10.1039/C7DT01546A","","","0.71073","MoKα","","0.0439","0.0368","","","0.1008","0.1084","","","","","","0.76","","","","has coordinates","197196","2020-10-21","18:00:00",""
"7043231","15.5062","0.0009","11.8662","0.0007","19.0966","0.0011","90","","90","","90","","3513.8","0.4","120","2","120","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C6 Fe N6 Se3 Sn -","- C6 Fe N6 Se3 Sn -","- C48 Fe8 N48 Se24 Sn8 -","8","1","","Hu, Dandan; Zhang, Yingying; Yang, Huajun; Lin, Jian; Wu, Tao","Structural transformation of selenidostannates from 1D to 0D and 2D via a stepwise amine-templated assembly strategy","Dalton Trans.","2017","","","","","10.1039/C7DT01546A","","","0.71073","MoKα","","0.0743","0.0517","","","0.129","0.1469","","","","","","1.042","","","","has coordinates","197196","2020-10-21","18:00:00",""
"7043232","6.51","0.0004","20.4228","0.0008","6.6513","0.0005","90","","119.029","0.009","90","","773.21","0.11","293","2","293","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- B11 Ca2 H7 O22 -","- B11 Ca2 H7 O22 -","- B22 Ca4 H14 O44 -","2","1","","Yang, Guo-Yu; Wei, Qi; Sun, Li; Zhang, Jie","Two Deep-Ultraviolet Nonlinear Optical Alkaline-Earth Metal Borates Based on Different Types of Oxoboron Clusters","Dalton Trans.","2017","","","","","10.1039/C7DT01677H","","","0.71073","MoKα","","0.0403","0.0373","","","0.0995","0.1025","","","","","","1.087","","","","has coordinates","197197","2020-10-21","18:00:00",""
"7043233","10.1679","0.0005","16.2316","0.0009","7.5544","0.0006","90","","90","","90","","1246.79","0.14","293","2","293","2","","","","","","","","4","P m n 21","P 2ac -2","31","","","","- B18 Ba4 H30 O46 -","- B18 Ba4 H28 O46 -","- B18 Ba4 H28 O46 -","1","0.25","","Yang, Guo-Yu; Wei, Qi; Sun, Li; Zhang, Jie","Two Deep-Ultraviolet Nonlinear Optical Alkaline-Earth Metal Borates Based on Different Types of Oxoboron Clusters","Dalton Trans.","2017","","","","","10.1039/C7DT01677H","","","0.71073","MoKα","","0.0824","0.0757","","","0.1956","0.204","","","","","","1.061","","","","has coordinates","197197","2020-10-21","18:00:00",""
"7043234","14.396","0.003","11.675","0.003","18.23","0.004","90","","112.062","0.005","90","","2839.6","1.1","273","2","273","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C28 H34 Cl2 N6 Ru -","- C28 H34 Cl2 N6 Ru -","- C112 H136 Cl8 N24 Ru4 -","4","1","","Bhattacharyya, Sudipta; Purkait, Kallol; Mukherjee, Arindam","Ruthenium(II) p-Cymene Complexes of a Benzimidazole based Ligand Capable of VEGFR2 Inhibition: Hydrolysis, Reactivity and Cytotoxicity Studies","Dalton Trans.","2017","","","","","10.1039/C7DT00938K","","","0.71073","MoKα","","0.0692","0.0382","","","0.0812","0.0911","","","","","","1.076","","","","has coordinates","197547","2020-10-21","18:00:00",""
"7043235","19.4406","0.0007","10.4285","0.0003","16.962","0.0007","90","","109.057","0.004","90","","3250.3","0.2","100.01","0.1","100.01","0.1","","","","","","","","3","C 1 2/c 1","-C 2yc","15","","","","- C18 H20 N6 -","- C18 H20 N6 -","- C144 H160 N48 -","8","1","","Bhattacharyya, Sudipta; Purkait, Kallol; Mukherjee, Arindam","Ruthenium(II) p-Cymene Complexes of a Benzimidazole based Ligand Capable of VEGFR2 Inhibition: Hydrolysis, Reactivity and Cytotoxicity Studies","Dalton Trans.","2017","","","","","10.1039/C7DT00938K","","x-ray","0.71073","MoKα","","0.0528","0.0443","","","0.107","0.1117","","","","","","1.105","","","","has coordinates","197547","2020-10-21","18:00:00",""
"7043236","14.2731","0.0004","11.5926","0.0003","18.4878","0.0005","90","","111.225","0.003","90","","2851.53","0.15","100","0.1","100","0.1","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C28 H34 Br2 N6 Ru -","- C28 H34 Br2 N6 Ru -","- C112 H136 Br8 N24 Ru4 -","4","1","","Bhattacharyya, Sudipta; Purkait, Kallol; Mukherjee, Arindam","Ruthenium(II) p-Cymene Complexes of a Benzimidazole based Ligand Capable of VEGFR2 Inhibition: Hydrolysis, Reactivity and Cytotoxicity Studies","Dalton Trans.","2017","","","","","10.1039/C7DT00938K","","x-ray","0.71073","MoKα","","0.0305","0.0257","","","0.068","0.0706","","","","","","1.044","","","","has coordinates","197547","2020-10-21","18:00:00",""
"7043237","6.85643","0.00016","15.3741","0.0004","14.9966","0.0004","90","","95.5363","0.0008","90","","1573.44","0.07","100","","100","","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C16 H15 N3 Ni O5 -","- C16 H15 N3 Ni O5 -","- C64 H60 N12 Ni4 O20 -","4","1","","Kobayashi, Fumiya; Ohtani, Ryo; Teraoka, Saki; Kosaka, Wataru; Miyasaka, Hitoshi; Zhang, Yingjie; Lindoy, Leonard F.; Hayami, Shinya; Nakamura, Masaaki","Syntheses, Structures and Magnetic Properties of Tetranuclear Cubane-type and Heptanuclear Wheel-type Nickel(II) Complexes with 3-Methoxysalicylic Acid Derivatives","Dalton Trans.","2017","","","","","10.1039/C7DT01757J","","","0.71075","MoKα","","","0.0357","","","","0.0973","","","","","","1.079","","","","has coordinates","197548","2020-10-21","18:00:00",""
"7043238","16.105","0.003","25.712","0.005","16.804","0.003","90","","92.54","0.03","90","","6952","2","100","2","100","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C68 H80 Ni4 O24 -","- C68 H80 Ni4 O24 -","- C272 H320 Ni16 O96 -","4","1","","Kobayashi, Fumiya; Ohtani, Ryo; Teraoka, Saki; Kosaka, Wataru; Miyasaka, Hitoshi; Zhang, Yingjie; Lindoy, Leonard F.; Hayami, Shinya; Nakamura, Masaaki","Syntheses, Structures and Magnetic Properties of Tetranuclear Cubane-type and Heptanuclear Wheel-type Nickel(II) Complexes with 3-Methoxysalicylic Acid Derivatives","Dalton Trans.","2017","","","","","10.1039/C7DT01757J","","","0.71074","silicondoublecrystalmonochromatedsynchrotron","","0.0752","0.0482","","","0.1117","0.1263","","","","","","1.024","","","","has coordinates","197548","2020-10-21","18:00:00",""
"7043239","22.615","0.003","22.615","0.003","22.615","0.003","90","","90","","90","","11566","3","100","2","100","2","","","","","","","","6","P a -3","-P 2ac 2ab 3","205","","","","- C108 H120.5 Cl2 N12 Ni7 O24.25 -","- C108 H120 Cl2 N12 Ni7 O24.25 -","- C432 H480 Cl8 N48 Ni28 O97 -","4","0.166667","","Kobayashi, Fumiya; Ohtani, Ryo; Teraoka, Saki; Kosaka, Wataru; Miyasaka, Hitoshi; Zhang, Yingjie; Lindoy, Leonard F.; Hayami, Shinya; Nakamura, Masaaki","Syntheses, Structures and Magnetic Properties of Tetranuclear Cubane-type and Heptanuclear Wheel-type Nickel(II) Complexes with 3-Methoxysalicylic Acid Derivatives","Dalton Trans.","2017","","","","","10.1039/C7DT01757J","","","0.71074","silicondoublecrystalmonochromatedsynchrotron","","0.0807","0.0678","","","0.193","0.2084","","","","","","1.045","","","","has coordinates","197548","2020-10-21","18:00:00",""
"7043240","11.8784","0.0005","19.6808","0.0007","20.6528","0.0007","90","","95.051","0.001","90","","4809.4","0.3","123","2","123","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C44 H57 Fe2 La N6 O14 -","- C44 H57 Fe2 La N6 O14 -","- C176 H228 Fe8 La4 N24 O56 -","4","1","","Singh, Namrata; Das Gupta, Sayak; Butcher, Raymond J.; Christou, George","Synthesis and Magnetochemistry of Heterometallic Triangular FeIII2LnIII (Ln = La, Gd, Tb, Dy, and Ho) and FeIII2YIII Complexes","Dalton Trans.","2017","","","","","10.1039/C7DT00949F","","","0.71073","MoKα","","0.0673","0.041","","","0.0843","0.0928","","","","","","1.012","","","","has coordinates","197549","2020-10-21","18:00:00",""
"7043241","11.8688","0.0005","19.6028","0.0008","20.4279","0.0008","90","","94.582","0.001","90","","4737.6","0.3","123","2","123","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C44 H57 Fe2 N6 O14 Y -","- C44 H57 Fe2 N6 O14 Y -","- C176 H228 Fe8 N24 O56 Y4 -","4","1","","Singh, Namrata; Das Gupta, Sayak; Butcher, Raymond J.; Christou, George","Synthesis and Magnetochemistry of Heterometallic Triangular FeIII2LnIII (Ln = La, Gd, Tb, Dy, and Ho) and FeIII2YIII Complexes","Dalton Trans.","2017","","","","","10.1039/C7DT00949F","","","0.71073","MoKα","","0.0944","0.0477","","","0.0786","0.0903","","","","","","1.022","","","","has coordinates","197549","2020-10-21","18:00:00",""
"7043242","11.8582","0.0017","19.684","0.003","20.475","0.003","90","","94.818","0.003","90","","4762.3","1.2","100","2","100","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C44 H57 Fe2 Ho N6 O14 -","- C44 H57 Fe2 Ho N6 O14 -","- C176 H228 Fe8 Ho4 N24 O56 -","4","1","","Singh, Namrata; Das Gupta, Sayak; Butcher, Raymond J.; Christou, George","Synthesis and Magnetochemistry of Heterometallic Triangular FeIII2LnIII (Ln = La, Gd, Tb, Dy, and Ho) and FeIII2YIII Complexes","Dalton Trans.","2017","","","","","10.1039/C7DT00949F","","","0.71073","MoKα","","0.0403","0.0304","","","0.0668","0.074","","","","","","1.048","","","","has coordinates","197549","2020-10-21","18:00:00",""
"7043243","11.851","0.003","19.653","0.004","20.449","0.005","90","","94.611","0.005","90","","4747.3","1.9","100","2","100","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C44 H57 Dy Fe2 N6 O14 -","- C44 H57 Dy Fe2 N6 O14 -","- C176 H228 Dy4 Fe8 N24 O56 -","4","1","","Singh, Namrata; Das Gupta, Sayak; Butcher, Raymond J.; Christou, George","Synthesis and Magnetochemistry of Heterometallic Triangular FeIII2LnIII (Ln = La, Gd, Tb, Dy, and Ho) and FeIII2YIII Complexes","Dalton Trans.","2017","","","","","10.1039/C7DT00949F","","","0.71073","MoKα","","0.1074","0.0491","","","0.0817","0.1063","","","","","","0.904","","","","has coordinates","197549","2020-10-21","18:00:00",""
"7043244","11.859","0.003","19.698","0.005","20.53","0.005","90","","94.656","0.005","90","","4780","2","100","2","100","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C44 H57 Fe2 Gd N6 O14 -","- C44 H57 Fe2 Gd N6 O14 -","- C176 H228 Fe8 Gd4 N24 O56 -","4","1","","Singh, Namrata; Das Gupta, Sayak; Butcher, Raymond J.; Christou, George","Synthesis and Magnetochemistry of Heterometallic Triangular FeIII2LnIII (Ln = La, Gd, Tb, Dy, and Ho) and FeIII2YIII Complexes","Dalton Trans.","2017","","","","","10.1039/C7DT00949F","","","0.71073","MoKα","","0.0796","0.051","","","0.1139","0.1502","","","","","","1.092","","","","has coordinates","197549","2020-10-21","18:00:00",""
"7043245","11.85","0.002","19.664","0.004","20.479","0.004","90","","94.867","0.003","90","","4754.8","1.6","100","2","100","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C44 H57 Fe2 N6 O14 Tb -","- C44 H57 Fe2 N6 O14 Tb -","- C176 H228 Fe8 N24 O56 Tb4 -","4","1","","Singh, Namrata; Das Gupta, Sayak; Butcher, Raymond J.; Christou, George","Synthesis and Magnetochemistry of Heterometallic Triangular FeIII2LnIII (Ln = La, Gd, Tb, Dy, and Ho) and FeIII2YIII Complexes","Dalton Trans.","2017","","","","","10.1039/C7DT00949F","","","0.71073","MoKα","","0.0783","0.0466","","","0.0897","0.1294","","","","","","1.124","","","","has coordinates","197549","2020-10-21","18:00:00",""
"7043246","11.4751","0.0008","19.2533","0.0014","11.963","0.0008","90","","104.581","0.001","90","","2557.9","0.3","200","2","200","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C24 H26 N4 O10 Pt2 -","- C24 H26 N4 O10 Pt2 -","- C96 H104 N16 O40 Pt8 -","4","1","","Ohno, Keiji; Tanuma, Honami; Kusano, Yukiko; Kaizaki, Sumio; Nagasawa, Akira; Fujihara, Takashi","Luminescence of tartrate bridged dinuclear 2,2′-bipyridine platinum(ii) complexes: emission color controlled by intra- and inter-molecular interactions in the solid state","Dalton Trans.","2017","","","","","10.1039/C7DT00745K","","","0.71073","MoKα","","0.0225","0.0185","","","0.0425","0.0445","","","","","","1.039","","","","has coordinates","197550","2020-10-21","18:00:00",""
"7043247","23.328","0.006","15.799","0.004","22.403","0.006","90","","120.006","0.003","90","","7150","3","200","2","200","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C48 H86 N8 O37 Pt4 -","- C48 H86 N8 O37 Pt4 -","- C192 H344 N32 O148 Pt16 -","4","0.5","","Ohno, Keiji; Tanuma, Honami; Kusano, Yukiko; Kaizaki, Sumio; Nagasawa, Akira; Fujihara, Takashi","Luminescence of tartrate bridged dinuclear 2,2′-bipyridine platinum(ii) complexes: emission color controlled by intra- and inter-molecular interactions in the solid state","Dalton Trans.","2017","","","","","10.1039/C7DT00745K","","","0.71073","MoKα","","0.0861","0.0549","","","0.1439","0.1708","","","","","","1.129","","","","has coordinates,has disorder","197550","2020-10-21","18:00:00",""
"7043248","10.6927","0.0008","18.9465","0.0014","21.1599","0.0016","90","","92.965","0.001","90","","4281","0.6","200","2","200","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C24 H30 N4 O12 Pt2 -","- C24 H30 N4 O12 Pt2 -","- C144 H180 N24 O72 Pt12 -","6","3","","Ohno, Keiji; Tanuma, Honami; Kusano, Yukiko; Kaizaki, Sumio; Nagasawa, Akira; Fujihara, Takashi","Luminescence of tartrate bridged dinuclear 2,2′-bipyridine platinum(ii) complexes: emission color controlled by intra- and inter-molecular interactions in the solid state","Dalton Trans.","2017","","","","","10.1039/C7DT00745K","","","0.71073","MoKα","","0.03","0.0247","","","0.052","0.0538","","","","","","0.934","","","","has coordinates,has disorder","197550","2020-10-21","18:00:00",""
"7043249","7.6436","0.0009","22.957","0.003","8.8476","0.0011","90","","102.692","0.001","90","","1514.6","0.3","200","2","200","2","","","","","","","","5","C 1 c 1","C -2yc","9","","","","- C14 H14 N2 O7 Pt -","- C14 H14 N2 O7 Pt -","- C56 H56 N8 O28 Pt4 -","4","1","","Ohno, Keiji; Tanuma, Honami; Kusano, Yukiko; Kaizaki, Sumio; Nagasawa, Akira; Fujihara, Takashi","Luminescence of tartrate bridged dinuclear 2,2′-bipyridine platinum(ii) complexes: emission color controlled by intra- and inter-molecular interactions in the solid state","Dalton Trans.","2017","","","","","10.1039/C7DT00745K","","","0.71073","MoKα","","0.0136","0.0131","","","0.0302","0.0304","","","","","","0.85","","","","has coordinates","197550","2020-10-21","18:00:00",""
"7043250","7.2798","0.0005","10.3151","0.0007","20.0355","0.0014","102.173","0.001","93.914","0.001","100.832","0.001","1435.32","0.17","200","2","200","2","","","","","","","","5","P 1","P 1","1","","","","- C24 H30 N4 O12 Pt2 -","- C24 H30 N4 O12 Pt2 -","- C48 H60 N8 O24 Pt4 -","2","2","","Ohno, Keiji; Tanuma, Honami; Kusano, Yukiko; Kaizaki, Sumio; Nagasawa, Akira; Fujihara, Takashi","Luminescence of tartrate bridged dinuclear 2,2′-bipyridine platinum(ii) complexes: emission color controlled by intra- and inter-molecular interactions in the solid state","Dalton Trans.","2017","","","","","10.1039/C7DT00745K","","","0.71073","MoKα","","0.0178","0.017","","","0.0397","0.0402","","","","","","0.761","","","","has coordinates","197550","2020-10-21","18:00:00",""
"7043251","13.546","0.0019","13.546","0.0019","34.908","0.007","90","","90","","90","","6405.4","1.8","100","2","100","2","","","","","","","","4","I 4/m","-I 4","87","","","","- C108 H64 Ca4 O21 -","- C108 H64 Ca4 O21 -","- C216 H128 Ca8 O42 -","2","0.125","","Li, Huanzhi; Fang, Xueting; Ma, Sha; Niu, Yan-Fei; Zhao, Xiao-li; Xu, Jiaqiang; Duan, Zhiming","A two-dimensional porous framework: solvent-induced structural transformation and selective adsorption towards malachite green","Dalton Trans.","2017","","","","","10.1039/C7DT01262D","","","0.75","synchrotron","","0.0633","0.049","","","0.1367","0.1447","","","","","","1.077","","","","has coordinates","197551","2020-10-21","18:00:00",""
"7043252","10.263","0.002","15.96","0.003","33.531","0.007","90","","90","","90","","5492.3","1.9","105","2","105","2","","","","","","","","4","P c c n","-P 2ab 2ac","56","","","","- C30 H26 Ca O7 -","- C30 H26 Ca O7 -","- C240 H208 Ca8 O56 -","8","1","","Li, Huanzhi; Fang, Xueting; Ma, Sha; Niu, Yan-Fei; Zhao, Xiao-li; Xu, Jiaqiang; Duan, Zhiming","A two-dimensional porous framework: solvent-induced structural transformation and selective adsorption towards malachite green","Dalton Trans.","2017","","","","","10.1039/C7DT01262D","","","0.72","synchrotron","","0.1371","0.0858","","","0.2028","0.2403","","","","","","1.057","","","","has coordinates","197551","2020-10-21","18:00:00",""
"7043253","13.3902","0.0012","13.3902","0.0012","35.51","0.007","90","","90","","90","","6366.9","1.5","296","2","296","2","","","","","","","","4","I 4/m","-I 4","87","","","","- C108 H64 Ca4 O21 -","- C108 H64 Ca4 O21 -","- C216 H128 Ca8 O42 -","2","0.125","","Li, Huanzhi; Fang, Xueting; Ma, Sha; Niu, Yan-Fei; Zhao, Xiao-li; Xu, Jiaqiang; Duan, Zhiming","A two-dimensional porous framework: solvent-induced structural transformation and selective adsorption towards malachite green","Dalton Trans.","2017","","","","","10.1039/C7DT01262D","","","0.71073","MoKα","","0.1896","0.0852","","","0.2069","0.2407","","","","","","0.971","","","","has coordinates","197551","2020-10-21","18:00:00",""
"7043254","14.8319","0.0012","8.449","0.0008","35.502","0.004","90","","99.459","0.003","90","","4388.4","0.7","296","2","296","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","3","","- C47 H34 F6 Ir N6 O P -","- C47 H34 F6 Ir N6 O P -","- C188 H136 F24 Ir4 N24 O4 P4 -","4","1","","Mukhopadhyay, Sujay; Singh, Roop Shikha; Paitandi, Rajendra Prasad; Sharma, Gunjan; Koch, Biplob; Pandey, Shankar","Influence of substituents on DNA and protein binding of cyclometalated Ir(III) complexes and anticancer activity","Dalton Trans.","2017","","","","","10.1039/C7DT01015J","","","0.71073","MoKα","","0.1253","0.075","","","0.1966","0.2156","","","","","","1.048","","","","has coordinates","197552","2020-10-21","18:00:00",""
"7043255","15.466","0.002","15.466","0.002","7.0105","0.0014","90","","90","","120","","1452.2","0.4","293","2","293","2","","","","","","","","6","P -3 m 1","-P 3 2""","164","","","","- C15 H11 Cl3 Mn3 N6 O7 -","- C15 H9 Cl3 Mn3 N6 O7 -","- C30 H18 Cl6 Mn6 N12 O14 -","2","0.166667","","Sun, Rui; Gao, Su-Mei; Wang, Shao-Qiang; Song, Wei-Chao; zhao, Jiong Peng; liu, fuchen","Co-ligand Tuned Pyrimidine-2-carboxylate Mn(II) Complexes from 2D 63 Layer to Interpenetrated Srs-net","Dalton Trans.","2017","","","","","10.1039/C7DT01045A","","","0.71073","MoKα","","0.1191","0.0842","","","0.16","0.1735","","","","","","1.078","","","","has coordinates","197553","2020-10-21","18:00:00",""
"7043256","13.197","0.003","13.197","0.003","16.739","0.003","90","","90","","90","","2915.3","1.1","293","2","293.15","","","","","","","","","6","I -4 c 2","I -4 -2c","120","","","","- C21 H13 Cl3 Mn4 N8 O10 -","- C21 H13 Cl3 Mn4 N8 O10 -","- C84 H52 Cl12 Mn16 N32 O40 -","4","0.25","","Sun, Rui; Gao, Su-Mei; Wang, Shao-Qiang; Song, Wei-Chao; zhao, Jiong Peng; liu, fuchen","Co-ligand Tuned Pyrimidine-2-carboxylate Mn(II) Complexes from 2D 63 Layer to Interpenetrated Srs-net","Dalton Trans.","2017","","","","","10.1039/C7DT01045A","","","0.71073","MoKα","","0.0643","0.0563","","","0.0855","0.0877","","","","","","1.217","","","","has coordinates,has disorder","197553","2020-10-21","18:00:00",""
"7043257","14.5498","0.0003","14.5498","0.0003","22.9484","0.0011","90","","90","","90","","4858.1","0.3","100","","100","","","","","","","","","8","P 4/m n c","-P 4 2n","128","","","","- C24 H128 Cu6 N24 Nb12 O59 P V2 -","- C24 H104 Cu6 N24 Nb12 O46 P V2 -","- C48 H208 Cu12 N48 Nb24 O92 P2 V4 -","2","0.125","","Hu, Jufang; Dong, Jing; Huang, Xianqiang; Chi, Yingnan; Lin, Zhengguo; Li, Jikun; Yang, Song; Ma, Hongwei; Hu, Changwen","Immobilization of Keggin Polyoxovanadoniobate in Crystalline Solids as Effective Heterogeneous Catalysts towards Selective Oxidation of Benzyl-Alkanes","Dalton Trans.","2017","","","","","10.1039/C7DT01122A","","","0.71073","MoKα","","0.0652","0.0489","","","0.1132","0.1216","","","","","","1.09","","","","has coordinates,has disorder","197554","2020-10-21","18:00:00",""
"7043258","12.8884","0.0004","14.1118","0.0005","14.5289","0.0005","93.443","0.001","105.107","0.001","117.046","0.001","2222.65","0.13","293","","293","","","","","","","","","8","P -1","-P 1","2","","","","- C14 H100.5 Co2.5 N14 Nb12 O63 P V2 -","- C14 H70 Co2.5 N14 Nb12 O49 P V2 -","- C14 H70 Co2.5 N14 Nb12 O49 P V2 -","1","0.5","","Hu, Jufang; Dong, Jing; Huang, Xianqiang; Chi, Yingnan; Lin, Zhengguo; Li, Jikun; Yang, Song; Ma, Hongwei; Hu, Changwen","Immobilization of Keggin Polyoxovanadoniobate in Crystalline Solids as Effective Heterogeneous Catalysts towards Selective Oxidation of Benzyl-Alkanes","Dalton Trans.","2017","","","","","10.1039/C7DT01122A","","","0.71073","MoKα","","0.0914","0.0635","","","0.1704","0.1965","","","","","","1.043","","","","has coordinates","197554","2020-10-21","18:00:00",""
"7043259","13.9","0.0005","13.9","0.0005","45.029","0.0014","90","","90","","120","","7534.5","0.4","293","2","293","2","","","","","","","","6","R -3 c :H","-R 3 2""c","167","","","","- C24 H30 Cl2 N6 O4 Zn -","- C24 H30 Cl2 N6 O4 Zn -","- C288 H360 Cl24 N72 O48 Zn12 -","12","0.333333","","Matyuska, Ferenc; Szorcsik, Attila; Nagy, Nora V.; Dancs, Ágnes; Kováts, Éva; Benyei, Attila; Gajda, Tamás","Tailoring the local environment around metal ions: solution chemical and structural study of some multidentate tripodal ligands","Dalton Trans.","2017","","","","","10.1039/C7DT00104E","","","0.71073","MoKα","","0.0595","0.0531","","","0.1697","0.1812","","","","","","1.148","","","","has coordinates","197591","2020-10-21","18:00:00",""
"7043260","8.5315","0.0016","14.2","0.006","24.011","0.006","90","","99.23","0.01","90","","2871.2","1.5","293","2","293","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C24 H32 Cl2 Cu N6 O9 -","- C24 H32 Cl2 Cu N6 O9 -","- C96 H128 Cl8 Cu4 N24 O36 -","4","1","","Matyuska, Ferenc; Szorcsik, Attila; Nagy, Nora V.; Dancs, Ágnes; Kováts, Éva; Benyei, Attila; Gajda, Tamás","Tailoring the local environment around metal ions: solution chemical and structural study of some multidentate tripodal ligands","Dalton Trans.","2017","","","","","10.1039/C7DT00104E","","","0.71073","MoKα","","0.1048","0.0874","","","","0.2322","","","","","","1.056","","","","has coordinates","197591","2020-10-21","18:00:00",""
"7043261","8.5454","0.0002","14.1957","0.0003","24.2629","0.0006","90","","100.298","0.001","90","","2895.87","0.12","293","2","293","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C24 H30 Cl2 N6 O9 Zn -","- C24 H30 Cl2 N6 O9 Zn -","- C96 H120 Cl8 N24 O36 Zn4 -","4","1","","Matyuska, Ferenc; Szorcsik, Attila; Nagy, Nora V.; Dancs, Ágnes; Kováts, Éva; Benyei, Attila; Gajda, Tamás","Tailoring the local environment around metal ions: solution chemical and structural study of some multidentate tripodal ligands","Dalton Trans.","2017","","","","","10.1039/C7DT00104E","","","1.54178","CuKα","","0.0635","0.0493","","","0.1262","0.1537","","","","","","1.148","","","","has coordinates,has disorder","197591","2020-10-21","18:00:00",""
"7043262","26.8501","0.0001","26.8501","0.0001","26.8501","0.0001","90","","90","","90","","19357","0.12","298","2","298","2","","","","","","","","6","I 2 3","I 2 2 3","197","","","","- C156 H246 Cl22 Cu11 N42 O12 -","- C156 H246 Cl22.0001 Cu11 N42 O12 -","- C624 H984 Cl88.0004 Cu44 N168 O48 -","4","0.166667","","Matyuska, Ferenc; Szorcsik, Attila; Nagy, Nora V.; Dancs, Ágnes; Kováts, Éva; Benyei, Attila; Gajda, Tamás","Tailoring the local environment around metal ions: solution chemical and structural study of some multidentate tripodal ligands","Dalton Trans.","2017","","","","","10.1039/C7DT00104E","","x-ray","1.54184","CuKα","","0.0866","0.0837","","","","0.2415","","","","","","1.09","","","","has coordinates","197591","2020-10-21","18:00:00",""
"7043263","7.562","0.002","20.872","0.006","15.196","0.005","90","","96.769","0.005","90","","2381.7","1.2","100","2","100","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C19.4 H20.8 Ag Cl1.6 Mg N3 O6.2 -","- C19.4 H20.8 Ag Cl1.6 Mg N3 O6.2 -","- C77.6 H83.2 Ag4 Cl6.4 Mg4 N12 O24.8 -","4","1","","Guo, Qianqian; Englert, Ulli","Neutral mixed-metal coordination polymers based on a ditopic acetylacetonate, Mg(II) and Ag(I): syntheses, characterization and solvent-dependent topologies","Dalton Trans.","2017","","","","","10.1039/C7DT01283G","","","0.71073","MoKα","","0.08","0.0507","","","0.1006","0.1116","","","","","","1.042","","","","has coordinates,has disorder","197637","2020-10-21","18:00:00",""
"7043264","10.925","0.003","11.659","0.003","14.281","0.004","98.563","0.004","107.176","0.004","114.537","0.004","1501.8","0.7","100","2","100","2","","","","","","","","6","P -1","-P 1","2","","","","- C28 H31 Ag Mg N3 O7 -","- C28 H31 Ag Mg N3 O7 -","- C56 H62 Ag2 Mg2 N6 O14 -","2","1","","Guo, Qianqian; Englert, Ulli","Neutral mixed-metal coordination polymers based on a ditopic acetylacetonate, Mg(II) and Ag(I): syntheses, characterization and solvent-dependent topologies","Dalton Trans.","2017","","","","","10.1039/C7DT01283G","","","0.71073","MoKα","","0.0616","0.0486","","","0.1323","0.1391","","","","","","1.072","","","","has coordinates","197637","2020-10-21","18:00:00",""
"7043265","13.165","0.003","13.17","0.003","14.234","0.003","93.407","0.004","115.185","0.003","118.122","0.003","1862.2","0.7","100","2","100","2","","","","","","","","7","P -1","-P 1","2","","","","- C22 H22 Ag Cl12 Mg N3 O6 -","- C22 H22 Ag Cl12 Mg N3 O6 -","- C44 H44 Ag2 Cl24 Mg2 N6 O12 -","2","1","","Guo, Qianqian; Englert, Ulli","Neutral mixed-metal coordination polymers based on a ditopic acetylacetonate, Mg(II) and Ag(I): syntheses, characterization and solvent-dependent topologies","Dalton Trans.","2017","","","","","10.1039/C7DT01283G","","","0.71073","MoKα","","0.0773","0.0544","","","0.1308","0.141","","","","","","1.078","","","","has coordinates,has disorder","197637","2020-10-21","18:00:00",""
"7043266","17.4437","0.0012","14.1394","0.001","29.0311","0.0019","90","","90","","90","","7160.3","0.8","100","2","100","2","","","","","","","","6","P b c a","-P 2ac 2ab","61","","","","- C58 H78 Ag2 Mg3 N10 O22 -","- C58 H78 Ag2 Mg3 N10 O22 -","- C232 H312 Ag8 Mg12 N40 O88 -","4","0.5","","Guo, Qianqian; Englert, Ulli","Neutral mixed-metal coordination polymers based on a ditopic acetylacetonate, Mg(II) and Ag(I): syntheses, characterization and solvent-dependent topologies","Dalton Trans.","2017","","","","","10.1039/C7DT01283G","","","0.71073","MoKα","","0.0607","0.0391","","","0.0871","0.0961","","","","","","1.027","","","","has coordinates,has disorder","197637","2020-10-21","18:00:00",""
"7043267","9","0.007","12.629","0.009","13.957","0.01","90","","98.469","0.012","90","","1569","2","293","2","293","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C12 H16 Mg N2 O6 -","- C12 H16 Mg N2 O6 -","- C48 H64 Mg4 N8 O24 -","4","0.5","","Guo, Qianqian; Englert, Ulli","Neutral mixed-metal coordination polymers based on a ditopic acetylacetonate, Mg(II) and Ag(I): syntheses, characterization and solvent-dependent topologies","Dalton Trans.","2017","","","","","10.1039/C7DT01283G","","","0.71073","MoKα","","0.1159","0.0611","","","0.1516","0.1737","","","","","","1.023","","","","has coordinates","197637","2020-10-21","18:00:00",""
"7043268","7.553","0.0008","20.872","0.002","15.1614","0.0017","90","","97.172","0.002","90","","2371.4","0.4","100","2","100","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C19 H20 Ag Cl2 Mg N3 O6 -","- C19 H20 Ag Cl2 Mg N3 O6 -","- C76 H80 Ag4 Cl8 Mg4 N12 O24 -","4","1","","Guo, Qianqian; Englert, Ulli","Neutral mixed-metal coordination polymers based on a ditopic acetylacetonate, Mg(II) and Ag(I): syntheses, characterization and solvent-dependent topologies","Dalton Trans.","2017","","","","","10.1039/C7DT01283G","","","0.71073","MoKα","","0.0469","0.0346","","","0.0797","0.0848","","","","","","1.032","","","","has coordinates","197637","2020-10-21","18:00:00",""
"7043269","7.661","0.0008","20.745","0.002","15.2178","0.0017","90","","94.733","0.002","90","","2410.3","0.4","100","2","100","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C21 H24 Ag Mg N3 O7 -","- C21 H24 Ag Mg N3 O7 -","- C84 H96 Ag4 Mg4 N12 O28 -","4","1","","Guo, Qianqian; Englert, Ulli","Neutral mixed-metal coordination polymers based on a ditopic acetylacetonate, Mg(II) and Ag(I): syntheses, characterization and solvent-dependent topologies","Dalton Trans.","2017","","","","","10.1039/C7DT01283G","","","0.71073","MoKα","","0.0493","0.0387","","","0.0998","0.1055","","","","","","1.029","","","","has coordinates","197637","2020-10-21","18:00:00",""
"7043270","15.0633","0.0011","10.9872","0.0008","14.9031","0.0011","90","","117.112","0.001","90","","2195.5","0.3","100","2","100","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C19 H22 Ag Mg N3 O7 -","- C19 H22 Ag Mg N3 O7 -","- C76 H88 Ag4 Mg4 N12 O28 -","4","1","","Guo, Qianqian; Englert, Ulli","Neutral mixed-metal coordination polymers based on a ditopic acetylacetonate, Mg(II) and Ag(I): syntheses, characterization and solvent-dependent topologies","Dalton Trans.","2017","","","","","10.1039/C7DT01283G","","","0.71073","MoKα","","0.0424","0.0337","","","0.0778","0.0817","","","","","","1.041","","","","has coordinates","197637","2020-10-21","18:00:00",""
"7043271","10.9386","0.0003","11.0774","0.0003","14.0776","0.0004","84.056","0.001","67.761","0.001","64.357","0.001","1419.69","0.07","296","2","296","2","","","","","","","","5","P -1","-P 1","2","","","","- C21 H27 N8 O13 Sm -","- C21 H27 N8 O13 Sm -","- C42 H54 N16 O26 Sm2 -","2","1","","Karmakar, Anirban; Rúbio, Guilherme M. D. M.; Paul, Anup; Guedes da Silva, M. Fátima C.; Mahmudov, Kamran T.; Guseinov, Firudin I.; Carabineiro, Sónia A.C.; Pombeiro, Armando J. L.","Lanthanide Metal Organic Frameworks based on dicarboxyl-functionalized arylhydrazone of barbituric acid: Syntheses, Structures, Luminescence and Catalytic Aldehydes Cyanosilylation","Dalton Trans.","2017","","","","","10.1039/C7DT01056G","","","0.71073","MoKα","","0.034","0.0251","","","0.0556","0.0583","","","","","","1.073","","","","has coordinates","197638","2020-10-21","18:00:00",""
"7043272","10.9927","0.0003","11.1065","0.0003","14.1247","0.0004","84.012","0.001","67.888","0.002","64.161","0.001","1434.23","0.07","296","2","296","2","","","","","","","","5","P -1","-P 1","2","","","","- C21 H27 N8 Nd O13 -","- C21 H27 N8 Nd O13 -","- C42 H54 N16 Nd2 O26 -","2","1","","Karmakar, Anirban; Rúbio, Guilherme M. D. M.; Paul, Anup; Guedes da Silva, M. Fátima C.; Mahmudov, Kamran T.; Guseinov, Firudin I.; Carabineiro, Sónia A.C.; Pombeiro, Armando J. L.","Lanthanide Metal Organic Frameworks based on dicarboxyl-functionalized arylhydrazone of barbituric acid: Syntheses, Structures, Luminescence and Catalytic Aldehydes Cyanosilylation","Dalton Trans.","2017","","","","","10.1039/C7DT01056G","","","0.71073","MoKα","","0.0278","0.0244","","","0.0613","0.0631","","","","","","1.029","","","","has coordinates","197638","2020-10-21","18:00:00",""
"7043273","10.8661","0.0004","11.0292","0.0005","14.0228","0.0006","84.312","0.002","67.604","0.001","64.723","0.001","1400.96","0.1","296","2","296","2","","","","","","","","5","P -1","-P 1","2","","","","- C21 H27 Dy N8 O13 -","- C21 H27 Dy N8 O13 -","- C42 H54 Dy2 N16 O26 -","2","1","","Karmakar, Anirban; Rúbio, Guilherme M. D. M.; Paul, Anup; Guedes da Silva, M. Fátima C.; Mahmudov, Kamran T.; Guseinov, Firudin I.; Carabineiro, Sónia A.C.; Pombeiro, Armando J. L.","Lanthanide Metal Organic Frameworks based on dicarboxyl-functionalized arylhydrazone of barbituric acid: Syntheses, Structures, Luminescence and Catalytic Aldehydes Cyanosilylation","Dalton Trans.","2017","","","","","10.1039/C7DT01056G","","","0.71073","MoKα","","0.03","0.0249","","","0.0599","0.062","","","","","","1.159","","","","has coordinates","197638","2020-10-21","18:00:00",""
"7043274","11.0424","0.0003","11.1343","0.0003","14.157","0.0004","83.845","0.001","68.087","0.002","63.857","0.001","1446.21","0.07","296","2","296","2","","","","","","","","5","P -1","-P 1","2","","","","- C21 H27 Ce N8 O13 -","- C21 H27 Ce N8 O13 -","- C42 H54 Ce2 N16 O26 -","2","1","","Karmakar, Anirban; Rúbio, Guilherme M. D. M.; Paul, Anup; Guedes da Silva, M. Fátima C.; Mahmudov, Kamran T.; Guseinov, Firudin I.; Carabineiro, Sónia A.C.; Pombeiro, Armando J. L.","Lanthanide Metal Organic Frameworks based on dicarboxyl-functionalized arylhydrazone of barbituric acid: Syntheses, Structures, Luminescence and Catalytic Aldehydes Cyanosilylation","Dalton Trans.","2017","","","","","10.1039/C7DT01056G","","","0.71073","MoKα","","0.0342","0.0264","","","0.0615","0.0645","","","","","","1.021","","","","has coordinates","197638","2020-10-21","18:00:00",""
"7043275","11.095","0.0003","11.1629","0.0003","14.1758","0.0004","83.736","0.001","68.205","0.002","63.694","0.001","1458.14","0.07","296","2","296","2","","","","","","","","5","P -1","-P 1","2","","","","- C21 H27 La N8 O13 -","- C21 H27 La N8 O13 -","- C42 H54 La2 N16 O26 -","2","1","","Karmakar, Anirban; Rúbio, Guilherme M. D. M.; Paul, Anup; Guedes da Silva, M. Fátima C.; Mahmudov, Kamran T.; Guseinov, Firudin I.; Carabineiro, Sónia A.C.; Pombeiro, Armando J. L.","Lanthanide Metal Organic Frameworks based on dicarboxyl-functionalized arylhydrazone of barbituric acid: Syntheses, Structures, Luminescence and Catalytic Aldehydes Cyanosilylation","Dalton Trans.","2017","","","","","10.1039/C7DT01056G","","","0.71073","MoKα","","0.0316","0.0266","","","0.0658","0.068","","","","","","1.134","","","","has coordinates","197638","2020-10-21","18:00:00",""
"7043276","10.0142","0.0008","13.323","0.001","12.411","0.001","90","","108.16","0.01","90","","1573.4","0.2","293","2","293","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","Dimanganese phosphate hydroxide","Dimanganese phosphate hydroxide","","- H4 Mn8 O20 P4 -","- H4 Mn8 O20 P4 -","- H16 Mn32 O80 P16 -","4","1","","Yakubovich, Olga Vsevolodovna; Shvanskaya, Larisa Victorovna; Dimitrova, Olga; Volkova, Olga S.; Vasiliev, Alexander N.","Magnetically frustrated synthetic end member Mn2(PO4)OH in the triplite - triploidite family","Dalton Trans.","2017","","","","","10.1039/C7DT01707C","","","0.71073","MoKα","","0.051","0.0375","","","0.063","0.0667","","","","","","1.295","","","","has coordinates","197674","2020-10-21","18:00:00",""
"7043277","19.2288","0.0007","8.6506","0.0003","26.1206","0.0009","90","","100.554","0.003","90","","4271.4","0.3","296","2","296","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C20 H33 Fe N2 P -","- C20 H33 Fe N2 P -","- C160 H264 Fe8 N16 P8 -","8","1","","Zheng, Wenjun; Duan, Lian; Zhang, Xiang","1,2-Diaza-4-phosphaferrocenes: Synthesis, Structural Characterization, 57Fe Mössbauer Spectrum Analysis, and DFT Calculation","Dalton Trans.","2017","","","","","10.1039/C7DT01732D","","","0.71073","MoKα","","0.0488","0.0352","","","0.0858","0.0917","","","","","","1.038","","","","has coordinates","197675","2020-10-21","18:00:00",""
"7043278","15.7621","0.0004","7.4818","0.0002","17.8088","0.0004","90","","95.917","0.002","90","","2088.98","0.09","100.01","0.1","100.01","0.1","","","","","","","","5","C 1 c 1","C -2yc","9","","","","- C24 H25 Fe N2 P -","- C24 H25 Fe N2 P -","- C96 H100 Fe4 N8 P4 -","4","1","","Zheng, Wenjun; Duan, Lian; Zhang, Xiang","1,2-Diaza-4-phosphaferrocenes: Synthesis, Structural Characterization, 57Fe Mössbauer Spectrum Analysis, and DFT Calculation","Dalton Trans.","2017","","","","","10.1039/C7DT01732D","","x-ray","1.54184","CuKα","","0.0697","0.0676","","","","0.1862","","","","","","1.0765","","","","has coordinates","197675","2020-10-21","18:00:00",""
"7043279","19.81131","0.00015","19.81131","0.00015","56.5195","0.0005","90","","90","","90","","22183.2","0.3","293","2","293","2","","","","","","","","7","I 41/a","-I 4ad","88","","","","- C69.6 H60.5 Co2 N12 O48.25 Sb8 V14 -","- C69.6 H48 Co2 N12 O49.25 Sb7.88 V14 -","- C556.8 H384 Co16 N96 O394 Sb63.04 V112 -","8","","","Cui, Xiaobing; guo, haiyang; Zhang, Xiao; xiao, lina","An unprecedented antimonato-polyoxovanadate (SbPOVs) based on both α-[V14Sb8O42]4- and β-[V14Sb8O42]4- isomers","Dalton Trans.","2017","","","","","10.1039/C7DT01229B","","","0.71073","MoKα","","0.0839","0.0566","","","0.1454","0.1712","","","","","","1.095","","","","has coordinates,has disorder","197676","2020-10-21","18:00:00",""
"7043280","19.81131","0.00015","19.81131","0.00015","56.5195","0.0005","90","","90","","90","","22183.2","0.3","293","2","293","2","","","","","","","","7","I 41/a","-I 4ad","88","","","","- C69.6 H60.5 Co2 N12 O48.25 Sb8 V14 -","- C69.6 H44 Co2 N12 O48.25 Sb8 V14 -","- C556.8 H352 Co16 N96 O386 Sb64 V112 -","8","","","Cui, Xiaobing; guo, haiyang; Zhang, Xiao; xiao, lina","An unprecedented antimonato-polyoxovanadate (SbPOVs) based on both α-[V14Sb8O42]4- and β-[V14Sb8O42]4- isomers","Dalton Trans.","2017","","","","","10.1039/C7DT01229B","","","0.71073","MoKα","","0.0936","0.0664","","","0.1799","0.2113","","","","","","1.022","","","","has coordinates","197676","2020-10-21","18:00:00",""
"7043281","11.835","0.003","14.997","0.004","16.445","0.004","85.18","0.003","84.602","0.003","82.019","0.003","2870.3","1.3","296","2","296","2","","","","","","","","5","P 1","P 1","1","","","","- C41 H80 Mo6 N6 O18 -","- C41 H80 Mo6 N6 O18 -","- C82 H160 Mo12 N12 O36 -","2","2","","Hermosilla-Ibáñez, Patricio; Wrighton-Araneda, Kerry; Prado, Gaspar; Paredes-Garcia, Veronica; Pizarro, Nancy Alejandra; Vega, Andres; Venegas-Yazigi, Diego","The first ReI organometallic complex with an organoimido-polyoxometalate ligand","Dalton Trans.","2017","","","","","10.1039/C7DT01633F","","","0.71073","MoKα","","0.1506","0.0604","","","0.1093","0.1445","","","","","","1.004","","","","has coordinates,has disorder","197677","2020-10-21","18:00:00",""
"7043282","19.094","0.002","19.094","0.002","19.094","0.002","90","","90","","90","","6961.3","1.3","103.7","","103.7","","","","","","","","","5","I 2 3","I 2 2 3","197","","","","- C12 H27 N3 O33.25 V6 -","- C12 H27 N3 O33.25 V6 -","- C96 H216 N24 O266 V48 -","8","0.333333","","Wei, Yongge; Xiao, Zicheng; Hu, Xunliang; Hu, Xiaokang; Huang, Bo; Cheng, Min; Wu, Pingfan; Lin, Xinjun","Syntheses and post-functionalization of tri-substituted polyalkoxohexavanadates containing tris(alkoxo) ligands","Dalton Trans.","2017","","","","","10.1039/C7DT01543G","","","0.71073","MoKα","","0.0335","0.0311","","","0.0803","0.0824","","","","","","1.084","","","","has coordinates,has disorder","197729","2020-10-21","18:00:00",""
"7043283","12.9234","0.0004","12.9234","0.0004","9.8515","0.0003","90","","90","","120","","1424.91","0.08","105","2","105","2","","","","","","","","5","P 63 m c","P 6c -2c","186","","","","- C15 H30 N3 O19 V6 -","- C15 H30 N3 O19 V6 -","- C30 H60 N6 O38 V12 -","2","0.166667","","Wei, Yongge; Xiao, Zicheng; Hu, Xunliang; Hu, Xiaokang; Huang, Bo; Cheng, Min; Wu, Pingfan; Lin, Xinjun","Syntheses and post-functionalization of tri-substituted polyalkoxohexavanadates containing tris(alkoxo) ligands","Dalton Trans.","2017","","","","","10.1039/C7DT01543G","","","0.71073","MoKα","","0.0284","0.0268","","","0.0724","0.0734","","","","","","1.083","","","","has coordinates,has disorder","197729","2020-10-21","18:00:00",""
"7043284","9.9874","0.0003","26.3528","0.001","16.3613","0.0004","90","","127.62","0.001","90","","3410.86","0.19","105","2","105","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C18 H52 N2 O23 V6 -","- C18 H52 N2 O23 V6 -","- C72 H208 N8 O92 V24 -","4","1","","Wei, Yongge; Xiao, Zicheng; Hu, Xunliang; Hu, Xiaokang; Huang, Bo; Cheng, Min; Wu, Pingfan; Lin, Xinjun","Syntheses and post-functionalization of tri-substituted polyalkoxohexavanadates containing tris(alkoxo) ligands","Dalton Trans.","2017","","","","","10.1039/C7DT01543G","","","0.71073","MoKα","","0.0344","0.031","","","0.0739","0.076","","","","","","1.068","","","","has coordinates","197729","2020-10-21","18:00:00",""
"7043285","19.168","0.002","19.168","0.002","19.168","0.002","90","","90","","90","","7042.6","1.3","293","2","293","2","","","","","","","","6","I 2 3","I 2 2 3","197","","","","- C12 H30 N3 Na2 O22 V6 -","- C12 H30 N3 Na2 O22 V6 -","- C96 H240 N24 Na16 O176 V48 -","8","0.333333","","Wei, Yongge; Xiao, Zicheng; Hu, Xunliang; Hu, Xiaokang; Huang, Bo; Cheng, Min; Wu, Pingfan; Lin, Xinjun","Syntheses and post-functionalization of tri-substituted polyalkoxohexavanadates containing tris(alkoxo) ligands","Dalton Trans.","2017","","","","","10.1039/C7DT01543G","","","0.71073","MoKα","","0.0543","0.0381","","","0.0942","0.1044","","","","","","1.059","","","","has coordinates","197729","2020-10-21","18:00:00",""
"7043286","17.3307","0.0007","17.3855","0.0008","32.3235","0.0012","90.823","0.003","100.203","0.004","119.45","0.005","8287.9","0.7","106.6","","106.6","","","","","","","","","6","P -1","-P 1","2","","","","- C114 H180 N9 Na O44 V12 -","- C114 H180 N9 Na O44 V12 -","- C228 H360 N18 Na2 O88 V24 -","2","1","","Wei, Yongge; Xiao, Zicheng; Hu, Xunliang; Hu, Xiaokang; Huang, Bo; Cheng, Min; Wu, Pingfan; Lin, Xinjun","Syntheses and post-functionalization of tri-substituted polyalkoxohexavanadates containing tris(alkoxo) ligands","Dalton Trans.","2017","","","","","10.1039/C7DT01543G","","","0.71073","MoKα","","0.1375","0.0735","","","0.1682","0.1935","","","","","","0.91","","","","has coordinates,has disorder","197729","2020-10-21","18:00:00",""
"7043287","13.551","0.002","16.226","0.003","22.289","0.004","90","","106.116","0.002","90","","4708.3","1.4","173","2","173","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C42 H60 N2 Ni O2 -","- C42 H60 N2 Ni O2 -","- C168 H240 N8 Ni4 O8 -","4","1","","Yang, Hong; Zhao, Yanxia; Liu, Bin; Su, Ji-Hu; Fedushkin, Igor L.; Wu, Biao; Yang, Xiao-Juan","Noninnocent ligands: heteroleptic nickel complexes with α-diimine and 1,2-diketone derivatives","Dalton Trans.","2017","","","","","10.1039/C7DT00455A","","","0.71073","MoKα","","0.0609","0.0464","","","0.1324","0.142","","","","","","0.968","","","","has coordinates","197730","2020-10-21","18:00:00",""
"7043288","13.99","0.002","22.73","0.004","19.155","0.003","90","","109.14","0.002","90","","5754.4","1.6","173","2","173","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C60 H86 N4 Ni2 O2 -","- C60 H86 N4 Ni2 O2 -","- C240 H344 N16 Ni8 O8 -","4","1","","Yang, Hong; Zhao, Yanxia; Liu, Bin; Su, Ji-Hu; Fedushkin, Igor L.; Wu, Biao; Yang, Xiao-Juan","Noninnocent ligands: heteroleptic nickel complexes with α-diimine and 1,2-diketone derivatives","Dalton Trans.","2017","","","","","10.1039/C7DT00455A","","","0.71073","MoKα","","0.0739","0.0491","","","0.1386","0.1608","","","","","","1.091","","","","has coordinates","197730","2020-10-21","18:00:00",""
"7043289","11.4","0.002","28.893","0.005","13.698","0.002","90","","92.651","0.003","90","","4507","1.3","173","2","173","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C46 H60 N2 Na Ni O3 -","- C46 H60 N2 Na Ni O3 -","- C184 H240 N8 Na4 Ni4 O12 -","4","1","","Yang, Hong; Zhao, Yanxia; Liu, Bin; Su, Ji-Hu; Fedushkin, Igor L.; Wu, Biao; Yang, Xiao-Juan","Noninnocent ligands: heteroleptic nickel complexes with α-diimine and 1,2-diketone derivatives","Dalton Trans.","2017","","","","","10.1039/C7DT00455A","","","0.71073","MoKα","","0.091","0.0567","","","0.1478","0.1686","","","","","","1.012","","","","has coordinates","197730","2020-10-21","18:00:00",""
"7043290","14.73","0.003","15.912","0.003","15.083","0.003","90","","92.038","0.003","90","","3533","1.2","173","2","173","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C37 H48 N2 Ni O2 -","- C37 H48 N2 Ni O2 -","- C148 H192 N8 Ni4 O8 -","4","1","","Yang, Hong; Zhao, Yanxia; Liu, Bin; Su, Ji-Hu; Fedushkin, Igor L.; Wu, Biao; Yang, Xiao-Juan","Noninnocent ligands: heteroleptic nickel complexes with α-diimine and 1,2-diketone derivatives","Dalton Trans.","2017","","","","","10.1039/C7DT00455A","","","0.71073","MoKα","","0.0704","0.0504","","","0.145","0.1618","","","","","","1.087","","","","has coordinates","197730","2020-10-21","18:00:00",""
"7043291","10.5244","0.0019","18.501","0.003","19.839","0.004","90","","90","","90","","3862.9","1.2","173","2","173","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C42 H50 N2 Ni O2 -","- C42 H50 N2 Ni O2 -","- C168 H200 N8 Ni4 O8 -","4","1","","Yang, Hong; Zhao, Yanxia; Liu, Bin; Su, Ji-Hu; Fedushkin, Igor L.; Wu, Biao; Yang, Xiao-Juan","Noninnocent ligands: heteroleptic nickel complexes with α-diimine and 1,2-diketone derivatives","Dalton Trans.","2017","","","","","10.1039/C7DT00455A","","","0.71073","MoKα","","0.053","0.0373","","","0.0894","0.0981","","","","","","0.973","","","","has coordinates","197730","2020-10-21","18:00:00",""
"7043292","12.4502","0.0003","19.2607","0.0004","13.4211","0.0003","90","","111.117","0.003","90","","3002.25","0.13","299.8","0.4","299.8","0.4","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C30 H33 Br3 N P2 Re -","- C30 H33 Br3 N P2 Re -","- C120 H132 Br12 N4 P8 Re4 -","4","1","","Salvarese, Nicola; Refosco, Fiorenzo; Seraglia, Roberta; Roverso, Marco; Dolmella, Alessandro; Bolzati, Cristina","Synthesis and Characterization of Rhenium(III) Complexes with (Ph2PCH2CH2)2NR Diphosphinoamine Ligands","Dalton Trans.","2017","","","","","10.1039/C7DT01032J","","","0.7107","MoKα","","0.0251","0.0208","","","0.0456","0.0469","","","","","","1.035","","","","has coordinates","197756","2020-10-21","18:00:00",""
"7043293","11.44174","0.00012","14.86579","0.00011","19.31565","0.00018","90","","98.9519","0.0009","90","","3245.39","0.05","297.4","","297.4","","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C31 H35 Cl3 N P2 Re -","- C31 H35 Cl3 N P2 Re -","- C124 H140 Cl12 N4 P8 Re4 -","4","1","","Salvarese, Nicola; Refosco, Fiorenzo; Seraglia, Roberta; Roverso, Marco; Dolmella, Alessandro; Bolzati, Cristina","Synthesis and Characterization of Rhenium(III) Complexes with (Ph2PCH2CH2)2NR Diphosphinoamine Ligands","Dalton Trans.","2017","","","","","10.1039/C7DT01032J","","","0.71073","MoKα","","0.0305","0.0225","","","0.0516","0.0536","","","","","","1.055","","","","has coordinates,has disorder","197756","2020-10-21","18:00:00",""
"7043294","17.3668","0.0005","17.2508","0.0005","19.9883","0.0006","90","","90","","90","","5988.3","0.3","298","0.1","298","0.1","","","","","","","","6","P b c a","-P 2ac 2ab","61","","","","- C29 H31 Br3 N P2 Re -","- C29 H31 Br3 N P2 Re -","- C232 H248 Br24 N8 P16 Re8 -","8","1","","Salvarese, Nicola; Refosco, Fiorenzo; Seraglia, Roberta; Roverso, Marco; Dolmella, Alessandro; Bolzati, Cristina","Synthesis and Characterization of Rhenium(III) Complexes with (Ph2PCH2CH2)2NR Diphosphinoamine Ligands","Dalton Trans.","2017","","","","","10.1039/C7DT01032J","","","0.71073","MoKα","","0.0714","0.0446","","","0.0993","0.1163","","","","","","1.055","","","","has coordinates,has disorder","197756","2020-10-21","18:00:00",""
"7043295","12.395","0.0003","18.9802","0.0004","13.2976","0.0004","90","","112.107","0.003","90","","2898.4","0.14","294.4","0.1","294.4","0.1","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C30 H33 Cl3 N P2 Re -","- C30 H33 Cl3 N P2 Re -","- C120 H132 Cl12 N4 P8 Re4 -","4","1","","Salvarese, Nicola; Refosco, Fiorenzo; Seraglia, Roberta; Roverso, Marco; Dolmella, Alessandro; Bolzati, Cristina","Synthesis and Characterization of Rhenium(III) Complexes with (Ph2PCH2CH2)2NR Diphosphinoamine Ligands","Dalton Trans.","2017","","","","","10.1039/C7DT01032J","","","0.7107","MoKα","","0.044","0.0304","","","0.0654","0.0714","","","","","","1.053","","","","has coordinates","197756","2020-10-21","18:00:00",""
"7043296","12.61584","0.00009","14.38916","0.0001","18.04782","0.00013","90","","90","","90","","3276.24","0.04","302.3","0.9","302.3","0.9","","","","","","","","7","P 21 21 21","P 2ac 2ab","19","","","","- C32 H38 Cl3 N2 O P2 Re -","- C32 H38 Cl3 N2 O P2 Re -","- C128 H152 Cl12 N8 O4 P8 Re4 -","4","1","","Salvarese, Nicola; Refosco, Fiorenzo; Seraglia, Roberta; Roverso, Marco; Dolmella, Alessandro; Bolzati, Cristina","Synthesis and Characterization of Rhenium(III) Complexes with (Ph2PCH2CH2)2NR Diphosphinoamine Ligands","Dalton Trans.","2017","","","","","10.1039/C7DT01032J","","","0.7107","MoKα","","0.021","0.0181","","","0.038","0.0392","","","","","","1.079","","","","has coordinates,has disorder","197756","2020-10-21","18:00:00",""
"7043297","15.9425","0.0003","14.9601","0.0003","25.6721","0.0006","90","","103.822","0.002","90","","5945.5","0.2","300","3","300","3","","","","","","","","6","I 1 2/a 1","-I 2ya","15","","","","- C28 H29 Cl3 N P2 Re -","- C28 H29 Cl3 N P2 Re -","- C224 H232 Cl24 N8 P16 Re8 -","8","1","","Salvarese, Nicola; Refosco, Fiorenzo; Seraglia, Roberta; Roverso, Marco; Dolmella, Alessandro; Bolzati, Cristina","Synthesis and Characterization of Rhenium(III) Complexes with (Ph2PCH2CH2)2NR Diphosphinoamine Ligands","Dalton Trans.","2017","","","","","10.1039/C7DT01032J","","x-ray","0.71073","MoKα","","0.0389","0.0236","","","0.047","0.0537","","","","","","1.094","","","","has coordinates,has disorder","197756","2020-10-21","18:00:00",""
"7043298","9.627","0.002","13.587","0.003","19.235","0.004","72.856","0.003","78.644","0.003","78.358","0.003","2329.2","0.9","103","2","103","2","","","","","","","","5","P -1","-P 1","2","","","","- C46 H78 N2 O5 Zr -","- C46 H78 N2 O5 Zr -","- C92 H156 N4 O10 Zr2 -","2","1","","Lalrempuia, Ralte; Breivik, Frida; Törnroos, Karl W.; Le Roux, Erwan","Coordination behavior of bis-phenolate saturated and unsaturated N-heterocyclic carbene ligands to zirconium: reactivity and activity in the copolymerization of cyclohexene oxide with CO2","Dalton Trans.","2017","","","","","10.1039/C7DT01117B","","","0.71073","MoKα","","0.0796","0.0532","","","0.1291","0.1424","","","","","","1.015","","","","has coordinates","197758","2020-10-21","18:00:00",""
"7043299","11.3763","0.0008","17.4465","0.0012","21.9304","0.0015","90","","97.68","0.001","90","","4313.6","0.5","103","2","103","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C44 H58 Cl2 N2 O3 Zr -","- C44 H58 Cl2 N2 O3 Zr -","- C176 H232 Cl8 N8 O12 Zr4 -","4","1","","Lalrempuia, Ralte; Breivik, Frida; Törnroos, Karl W.; Le Roux, Erwan","Coordination behavior of bis-phenolate saturated and unsaturated N-heterocyclic carbene ligands to zirconium: reactivity and activity in the copolymerization of cyclohexene oxide with CO2","Dalton Trans.","2017","","","","","10.1039/C7DT01117B","","","0.71073","MoKα","","0.0512","0.041","","","0.1093","0.1144","","","","","","1.069","","","","has coordinates","197758","2020-10-21","18:00:00",""
"7043300","60.365","0.005","17.1143","0.0015","25.466","0.002","90","","106.395","0.001","90","","25239","4","103","2","103","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C90 H120 N4 O8 Zr2 -","- C90 H120 N4 O8 Zr2 -","- C1080 H1440 N48 O96 Zr24 -","12","1.5","","Lalrempuia, Ralte; Breivik, Frida; Törnroos, Karl W.; Le Roux, Erwan","Coordination behavior of bis-phenolate saturated and unsaturated N-heterocyclic carbene ligands to zirconium: reactivity and activity in the copolymerization of cyclohexene oxide with CO2","Dalton Trans.","2017","","","","","10.1039/C7DT01117B","","","0.71073","MoKα","","0.0625","0.0428","","","0.102","0.1131","","","","","","1.054","","","","has coordinates,has disorder","197758","2020-10-21","18:00:00",""
"7043301","15.231","0.003","15.917","0.003","16.457","0.003","96.633","0.002","102.016","0.002","94.047","0.002","3857.7","1.3","103","2","103","2","","","","","","","","5","P -1","-P 1","2","","","","- C70 H88 N4 O4 Zr -","- C70 H88 N4 O4 Zr -","- C140 H176 N8 O8 Zr2 -","2","1","","Lalrempuia, Ralte; Breivik, Frida; Törnroos, Karl W.; Le Roux, Erwan","Coordination behavior of bis-phenolate saturated and unsaturated N-heterocyclic carbene ligands to zirconium: reactivity and activity in the copolymerization of cyclohexene oxide with CO2","Dalton Trans.","2017","","","","","10.1039/C7DT01117B","","","0.71073","MoKα","","0.0767","0.0733","","","0.1829","0.1844","","","","","","1.221","","","","has coordinates,has disorder","197758","2020-10-21","18:00:00",""
"7043302","13.823","0.003","26.109","0.005","17.864","0.003","90","","102.25","0.003","90","","6300","2","103","2","103","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C69 H92 N4 O4 Zr -","- C69 H92 N4 O4 Zr -","- C276 H368 N16 O16 Zr4 -","4","1","","Lalrempuia, Ralte; Breivik, Frida; Törnroos, Karl W.; Le Roux, Erwan","Coordination behavior of bis-phenolate saturated and unsaturated N-heterocyclic carbene ligands to zirconium: reactivity and activity in the copolymerization of cyclohexene oxide with CO2","Dalton Trans.","2017","","","","","10.1039/C7DT01117B","","","0.71073","MoKα","","0.1104","0.0608","","","0.1304","0.1533","","","","","","1.017","","","","has coordinates,has disorder","197758","2020-10-21","18:00:00",""
"7043303","14.1345","0.0002","18.0323","0.0002","14.4143","0.0002","90","","94.763","0.001","90","","3661.19","0.08","150.05","0.1","150.05","0.1","","","","","","","","8","P 1 21/n 1","-P 2yn","14","","","","- C71 H76 Cl6 N2 O8 P2 Pd2 S4 -","- C71 H76 Cl6 N2 O8 P2 Pd2 S4 -","- C142 H152 Cl12 N4 O16 P4 Pd4 S8 -","2","0.5","","Pérez-Briso, Celeste; Gallego, Ana M.; Martín-Alvarez, Jose M.; Martínez-Ilarduya, Jesús M.; Espinet, Pablo","Polymer [Pd(CH2SO2C6H4Me)2]n, a precursor to remarkably stable Pd organometallics","Dalton Trans.","2017","","","","","10.1039/C7DT00904F","","x-ray","0.71073","MoKα","","0.0514","0.0361","","","0.0709","0.0795","","","","","","1.06","","","","has coordinates,has disorder","197759","2020-10-21","18:00:00",""
"7043304","14.1091","0.0008","18.898","0.0009","20.282","0.0008","90","","96.162","0.005","90","","5376.6","0.5","150","0.14","150","0.14","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C54 H50 Cl6 O4 P2 Pd S2 -","- C54 H50 Cl6 O4 P2 Pd S2 -","- C216 H200 Cl24 O16 P8 Pd4 S8 -","4","1","","Pérez-Briso, Celeste; Gallego, Ana M.; Martín-Alvarez, Jose M.; Martínez-Ilarduya, Jesús M.; Espinet, Pablo","Polymer [Pd(CH2SO2C6H4Me)2]n, a precursor to remarkably stable Pd organometallics","Dalton Trans.","2017","","","","","10.1039/C7DT00904F","","x-ray","0.71073","MoKα","","0.1596","0.1018","","","0.2286","0.2675","","","","","","1.059","","","","has coordinates","197759","2020-10-21","18:00:00",""
"7043305","10.5238","0.0004","12.4909","0.0006","12.9402","0.0004","89.936","0.003","81.938","0.003","78.047","0.004","1647","0.12","298","2","298.15","","","","","","","","","6","P -1","-P 1","2","","","","- C34 H35 O5 P Pd S2 -","- C34 H35 O5 P Pd S2 -","- C68 H70 O10 P2 Pd2 S4 -","2","1","","Pérez-Briso, Celeste; Gallego, Ana M.; Martín-Alvarez, Jose M.; Martínez-Ilarduya, Jesús M.; Espinet, Pablo","Polymer [Pd(CH2SO2C6H4Me)2]n, a precursor to remarkably stable Pd organometallics","Dalton Trans.","2017","","","","","10.1039/C7DT00904F","","x-ray","0.71073","MoKα","","0.0623","0.0401","","","0.0699","0.0799","","","","","","1.055","","","","has coordinates","197759","2020-10-21","18:00:00",""
"7043306","10.5024","0.0005","12.4119","0.0009","13.1782","0.0008","91.407","0.005","99.846","0.004","103.932","0.005","1638.86","0.18","296","2","296.15","","","","","","","","","7","P -1","-P 1","2","","","","- C34 H36 N O4 P Pd S2 -","- C34 H36 N O4 P Pd S2 -","- C68 H72 N2 O8 P2 Pd2 S4 -","2","1","","Pérez-Briso, Celeste; Gallego, Ana M.; Martín-Alvarez, Jose M.; Martínez-Ilarduya, Jesús M.; Espinet, Pablo","Polymer [Pd(CH2SO2C6H4Me)2]n, a precursor to remarkably stable Pd organometallics","Dalton Trans.","2017","","","","","10.1039/C7DT00904F","","x-ray","0.71073","MoKα","","0.0763","0.0449","","","0.0772","0.0898","","","","","","1.031","","","","has coordinates","204134","2020-10-21","18:00:00",""
"7043307","9.583","0.004","9.487","0.003","22.074","0.002","90","","90","","90","","2006.8","1.1","296","2","296","2","","","","","","","","6","P c c m","-P 2 2c","49","","Compound 2","","- C38 H24 N2 Ni2 O10 Si -","- C36 H22 N1.5 Ni2 O10 Si -","- C72 H44 N3 Ni4 O20 Si2 -","2","0.25","","Yang, Xiaowei; Zhang, Yuan; Li, Feng; Guo, Tiantian; Wu, Yong; Jin, Fengyan; Fang, Min; Lan, Yaqian; Li, Yafei; Zhou, Yong; Zou, Zhigang","Theoretical and experimental studies on three water-stable, isostructural, paddlewheel based semiconducting metal‒organic frameworks","Dalton Trans.","2017","","","","","10.1039/C7DT01560G","","","0.71073","MoKα","","0.0769","0.066","","","0.1781","0.185","","","","","","1.194","","","","has coordinates,has disorder","197789","2020-10-21","18:00:00",""
"7043308","9.7078","0.0003","9.7078","0.0003","21.7592","0.0015","90","","90","","90","","2050.62","0.17","291","2","291","2","","","","","","","","6","P 42/m c m","-P 4c 2c","132","","compound 1","","- C38 H26 Co2 N2 O9 Si -","- C38 H26.08 Co2 N2 O9 Si -","- C76 H52.16 Co4 N4 O18 Si2 -","2","0.125","","Yang, Xiaowei; Zhang, Yuan; Li, Feng; Guo, Tiantian; Wu, Yong; Jin, Fengyan; Fang, Min; Lan, Yaqian; Li, Yafei; Zhou, Yong; Zou, Zhigang","Theoretical and experimental studies on three water-stable, isostructural, paddlewheel based semiconducting metal‒organic frameworks","Dalton Trans.","2017","","","","","10.1039/C7DT01560G","","","0.71073","MoKα","","0.0538","0.047","","","0.1628","0.1671","","","","","","1.042","","","","has coordinates,has disorder","197789","2020-10-21","18:00:00",""
"7043309","9.7078","0.0003","9.7078","0.0003","21.7592","0.0015","90","","90","","90","","2050.62","0.17","291","2","291","2","","","","","","","","6","P 42/m c m","-P 4c 2c","132","Cu-TCS","Cu2TCS(4,4?-bipy)","","- C38 H26 Cu2 N2 O9 Si -","- C38 H26.08 Cu2 N2 O9 Si -","- C76 H52.16 Cu4 N4 O18 Si2 -","2","0.125","","Yang, Xiaowei; Zhang, Yuan; Li, Feng; Guo, Tiantian; Wu, Yong; Jin, Fengyan; Fang, Min; Lan, Yaqian; Li, Yafei; Zhou, Yong; Zou, Zhigang","Theoretical and experimental studies on three water-stable, isostructural, paddlewheel based semiconducting metal‒organic frameworks","Dalton Trans.","2017","","","","","10.1039/C7DT01560G","","","0.71073","MoKα","","0.064","0.0471","","","0.1401","0.1503","","","","","","1.055","","","","has coordinates,has disorder","197789","2020-10-21","18:00:00",""
"7043310","9.8858","0.0008","15.9533","0.0014","16.7037","0.0014","95.236","0.002","90.943","0.002","105.37","0.002","2527.3","0.4","296","2","296","2","","","","","","","Aluminum triisopropoxide, Orthophosphoric acid, Water, (S)-\a-Methylbenzylamine","6","P 1","P 1","1","","S-AlPO-CJ72","","- C64 H104 Al8 N8 O50 P12 -","- C64 H104 Al8 N8 O50 P12 -","- C64 H104 Al8 N8 O50 P12 -","1","1","","Yu, Yue; Zhu, Jingran; liu, jiancong; Yan, Yan; Song, Xiaowei","Synthesis and characterization of two layered aluminophosphates [R-C8H12N]8[H2O]2·[Al8P12O48H4] and [S-C8H12N]8[H2O]2·[Al8P12O48H4] with mirror symmetric feature and their proton conductivity","Dalton Trans.","2017","","","","","10.1039/C7DT01643C","","","0.71073","MoKα","","0.0918","0.0576","","","0.1059","0.122","","","","","","0.987","","","","has coordinates","197790","2020-10-21","18:00:00",""
"7043311","9.8831","0.0005","15.9285","0.0009","16.7042","0.0009","95.204","0.001","90.93","0.001","105.339","0.001","2523.3","0.2","296","2","296","2","","","","","","","Aluminum triisopropoxide, Orthophosphoric acid, Water, (R)-\a-Methylbenzylamine","6","P 1","P 1","1","","R-AlPO-CJ72","","- C64 H104 Al8 N8 O50 P12 -","- C64 H104 Al8 N8 O50 P12 -","- C64 H104 Al8 N8 O50 P12 -","1","1","","Yu, Yue; Zhu, Jingran; liu, jiancong; Yan, Yan; Song, Xiaowei","Synthesis and characterization of two layered aluminophosphates [R-C8H12N]8[H2O]2·[Al8P12O48H4] and [S-C8H12N]8[H2O]2·[Al8P12O48H4] with mirror symmetric feature and their proton conductivity","Dalton Trans.","2017","","","","","10.1039/C7DT01643C","","","0.71073","MoKα","","0.0659","0.0444","","","0.0666","0.072","","","","","","0.841","","","","has coordinates","197790","2020-10-21","18:00:00",""
"7043312","9.098","0.0003","15.3049","0.0006","25.3271","0.0008","90","","90.418","0.001","90","","3526.6","0.2","123","2","123","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C42 H102 Co5 N18 O27 -","- C42 H102 Co5 N18 O27 -","- C84 H204 Co10 N36 O54 -","2","0.5","","Shao, Dong; Zhou, Yan; Pi, Qian; Shen, Fu-Xing; Yang, Si-Run; Zhang, Shao-Liang; Wang, Xin-Yi","Two-Dimensional Frameworks Formed by Pentagonal Bipyramidal Cobalt(II) Ion and Hexacyanometallates: Antiferromagnetic Ordering, Metamagnetism and Slow Magnetic Relaxation","Dalton Trans.","2017","","","","","10.1039/C7DT01893B","","","0.71073","MoKα","","0.0852","0.0735","","","0.2138","0.2233","","","","","","1.055","","","","has coordinates,has disorder","197791","2020-10-21","18:00:00",""
"7043313","9.1509","0.0004","15.6851","0.0007","25.6844","0.001","90","","90.004","0.001","90","","3686.6","0.3","123","2","123","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C42 H102 Co3 Cr2 N18 O27 -","- C42 H102 Co3 Cr2 N18 O27 -","- C84 H204 Co6 Cr4 N36 O54 -","2","0.5","","Shao, Dong; Zhou, Yan; Pi, Qian; Shen, Fu-Xing; Yang, Si-Run; Zhang, Shao-Liang; Wang, Xin-Yi","Two-Dimensional Frameworks Formed by Pentagonal Bipyramidal Cobalt(II) Ion and Hexacyanometallates: Antiferromagnetic Ordering, Metamagnetism and Slow Magnetic Relaxation","Dalton Trans.","2017","","","","","10.1039/C7DT01893B","","","0.71073","MoKα","","0.1205","0.0846","","","0.2426","0.267","","","","","","1.044","","","","has coordinates,has disorder","197791","2020-10-21","18:00:00",""
"7043314","38.86","0.02","8.799","0.005","17.269","0.009","90","","95.512","0.007","90","","5877","5","293","2","293","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C37 H28 F2 N2 O2 P -","- C37 H28 F2 N2 O2 P -","- C296 H224 F16 N16 O16 P8 -","8","1","","Polyancev, Fedor M.; Metlushka, Kirill E.; Sadkova, Dilyara N.; Khisametdinova, Zilya R.; Kataeva, Olga N.; Alfonsov, Vladimir A.; Latypov, Shamil K.; Sinyashin, Oleg G.","The isomeric structure of pentacoordinate chiral spirophosphoranes in solution by the combined use of NMR experiments and GIAO DFT calculations of NMR parameters","Dalton Trans.","2017","","","","","10.1039/C7DT01605K","","","0.71073","MoKα","","0.1981","0.044","","","0.0786","0.1084","","","","","","0.738","","","","has coordinates,has disorder","197792","2020-10-21","18:00:00",""
"7043315","8.6029","0.0002","15.2183","0.0003","20.4343","0.0004","90","","90","","90","","2675.29","0.1","150","2","150","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C34 H27 N2 O2 P -","- C34 H27 N2 O2 P -","- C136 H108 N8 O8 P4 -","4","1","","Polyancev, Fedor M.; Metlushka, Kirill E.; Sadkova, Dilyara N.; Khisametdinova, Zilya R.; Kataeva, Olga N.; Alfonsov, Vladimir A.; Latypov, Shamil K.; Sinyashin, Oleg G.","The isomeric structure of pentacoordinate chiral spirophosphoranes in solution by the combined use of NMR experiments and GIAO DFT calculations of NMR parameters","Dalton Trans.","2017","","","","","10.1039/C7DT01605K","","","0.71073","MoKα","","0.0491","0.0406","","","0.0941","0.0976","","","","","","0.996","","","","has coordinates","197792","2020-10-21","18:00:00",""
"7043316","16.2712","0.0008","19.3688","0.0009","27.8061","0.0013","72.155","0.001","75.157","0.001","66.445","0.001","7556.2","0.6","177","2","177.15","","","","","","","","","7","P -1","-P 1","2","","","","- C120 H120 Cl5 Dy7 N12 O40 Zn4 -","- C120 H112 Cl5 Dy7 N12 O36 Zn4 -","- C240 H224 Cl10 Dy14 N24 O72 Zn8 -","2","1","","Ke, Hongshan; Lu, Xiaohua; Wei, Wen; Wang, Wenyuan; Xie, Gang; Chen, Sanping","Unusual undecanuclear heterobimetallic Zn4Ln7 (Ln = Gd, Dy) nano-sized clusters encapsulating two peroxide anions through spontaneous intake of dioxygen","Dalton Trans.","2017","","","","","10.1039/C7DT01501A","","","0.71073","MoKα","","0.0768","0.0563","","","0.1689","0.1807","","","","","","1.034","","","","has coordinates","197793","2020-10-21","18:00:00",""
"7043317","16.0223","0.0013","19.4348","0.0014","27.978","0.002","71.957","0.001","75.918","0.001","66.901","0.001","7545.3","1","177","2","177.15","","","","","","","","","7","P -1","-P 1","2","","","","- C120 H120 Cl5 Gd7 N12 O40 Zn4 -","- C120 H112 Cl5 Gd7 N12 O36 Zn4 -","- C240 H224 Cl10 Gd14 N24 O72 Zn8 -","2","1","","Ke, Hongshan; Lu, Xiaohua; Wei, Wen; Wang, Wenyuan; Xie, Gang; Chen, Sanping","Unusual undecanuclear heterobimetallic Zn4Ln7 (Ln = Gd, Dy) nano-sized clusters encapsulating two peroxide anions through spontaneous intake of dioxygen","Dalton Trans.","2017","","","","","10.1039/C7DT01501A","","","0.71073","MoKα","","0.1047","0.0592","","","0.1376","0.1516","","","","","","0.992","","","","has coordinates","197793","2020-10-21","18:00:00",""
"7043318","15.562","0.0009","32.1384","0.0018","14.8953","0.0008","90","","91.912","0.001","90","","7445.6","0.7","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C78 H52 Cd3 N8 O13 -","- C78 H52 Cd3 N8 O13 -","- C312 H208 Cd12 N32 O52 -","4","1","","Liu, Zhi-Qiang; Zhao, Yue; Wang, Peng; Kang, Yan-Shang; Azam, Mohammad; Al-Resayes, Saud I; Liu, Xaio-Hui; Lu, Qingyi; Sun, Wei-Yin","Fluorescent sensing and selective adsorption properties of metal-organic frameworks with mixed tricarboxylate and 1H-imidazol-4-yl-containing ligands","Dalton Trans.","2017","","","","","10.1039/C7DT01759F","","","0.71073","MoKα","","0.042","0.0346","","","0.0842","0.0883","","","","","","1.033","","","","has coordinates,has disorder","197794","2020-10-21","18:00:00",""
"7043319","15.082","0.003","16.887","0.003","17.338","0.003","114.224","0.004","102.313","0.004","100.882","0.004","3740.4","1.2","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C66 H48 Co4 N4 O17 -","- C66 H48 Co4 N4 O17 -","- C132 H96 Co8 N8 O34 -","2","1","","Liu, Zhi-Qiang; Zhao, Yue; Wang, Peng; Kang, Yan-Shang; Azam, Mohammad; Al-Resayes, Saud I; Liu, Xaio-Hui; Lu, Qingyi; Sun, Wei-Yin","Fluorescent sensing and selective adsorption properties of metal-organic frameworks with mixed tricarboxylate and 1H-imidazol-4-yl-containing ligands","Dalton Trans.","2017","","","","","10.1039/C7DT01759F","","","0.71073","MoKα","","0.0907","0.0818","","","0.2424","0.252","","","","","","1.025","","","","has coordinates","197794","2020-10-21","18:00:00",""
"7043320","19.144","0.002","8.3339","0.001","21.679","0.002","90","","104.241","0.008","90","","3352.5","0.6","173","2","173","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C38 H30 N7 O2 P3 -","- C38 H30 N7 O2 P3 -","- C152 H120 N28 O8 P12 -","4","1","","Uslu, Aylin; Tümay, Süreyya Oğuz; Şenocak, Ahmet; Yuksel, Fatma; Özcan, Elif; Yeşilot, Serkan","Imidazole/Benzimidazole-Modified Cyclotriphosphazenes as Highly Selective Fluorescent Probes for Cu2+: Synthesis, Configurational Isomers, and Crystal Structures","Dalton Trans.","2017","","","","","10.1039/C7DT01134B","","","0.71073","MoKα","","0.097","0.0598","","","0.1394","0.1676","","","","","","1.024","","","","has coordinates","197795","2020-10-21","18:00:00",""
"7043321","15.243","0.003","8.429","0.002","23.943","0.006","90","","106.11","0.016","90","","2955.5","1.2","173","2","173","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","phosphazene","","","- C30 H26 N7 O2 P3 -","- C30 H26 N7 O2 P3 -","- C120 H104 N28 O8 P12 -","4","1","","Uslu, Aylin; Tümay, Süreyya Oğuz; Şenocak, Ahmet; Yuksel, Fatma; Özcan, Elif; Yeşilot, Serkan","Imidazole/Benzimidazole-Modified Cyclotriphosphazenes as Highly Selective Fluorescent Probes for Cu2+: Synthesis, Configurational Isomers, and Crystal Structures","Dalton Trans.","2017","","","","","10.1039/C7DT01134B","","","0.71073","MoKα","","0.1339","0.071","","","0.1586","0.1867","","","","","","1.019","","","","has coordinates","197795","2020-10-21","18:00:00",""
"7043322","9.3179","0.0004","11.1854","0.0005","16.7744","0.0007","81.422","0.002","89.989","0.002","79.34","0.002","1698.24","0.13","120","2","120","2","","","","","","","","5","P -1","-P 1","2","14gyte218_AU_FC_fenol_Bi_","","","- C38 H30 N7 O2 P3 -","- C38 H30 N7 O2 P3 -","- C76 H60 N14 O4 P6 -","2","1","","Uslu, Aylin; Tümay, Süreyya Oğuz; Şenocak, Ahmet; Yuksel, Fatma; Özcan, Elif; Yeşilot, Serkan","Imidazole/Benzimidazole-Modified Cyclotriphosphazenes as Highly Selective Fluorescent Probes for Cu2+: Synthesis, Configurational Isomers, and Crystal Structures","Dalton Trans.","2017","","","","","10.1039/C7DT01134B","","","0.71073","MoKα","","0.058","0.0407","","","0.0935","0.1016","","","","","","1.011","","","","has coordinates","197795","2020-10-21","18:00:00",""
"7043323","10.8586","0.0014","16.05","0.002","17.562","0.002","90","","106.757","0.004","90","","2930.7","0.6","173","2","173","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","cyclophosphazene","","","- C30 H26 N7 O2 P3 -","- C30 H26 N7 O2 P3 -","- C120 H104 N28 O8 P12 -","4","1","","Uslu, Aylin; Tümay, Süreyya Oğuz; Şenocak, Ahmet; Yuksel, Fatma; Özcan, Elif; Yeşilot, Serkan","Imidazole/Benzimidazole-Modified Cyclotriphosphazenes as Highly Selective Fluorescent Probes for Cu2+: Synthesis, Configurational Isomers, and Crystal Structures","Dalton Trans.","2017","","","","","10.1039/C7DT01134B","","","0.71073","MoKα","","0.0469","0.0411","","","0.1058","0.1097","","","","","","1.034","","","","has coordinates","197795","2020-10-21","18:00:00",""
"7043324","7.6214","0.0002","17.218","0.0004","9.433","0.0002","90","","92.38","0.0017","90","","1236.78","0.05","120","2","120","2","","","","","","","","6","P 1 21 1","P 2yb","4","cyclophosphazene","","","- C24 H20 Cl2 N3 O2 P3 -","- C24 H20 Cl2 N3 O2 P3 -","- C48 H40 Cl4 N6 O4 P6 -","2","1","","Uslu, Aylin; Tümay, Süreyya Oğuz; Şenocak, Ahmet; Yuksel, Fatma; Özcan, Elif; Yeşilot, Serkan","Imidazole/Benzimidazole-Modified Cyclotriphosphazenes as Highly Selective Fluorescent Probes for Cu2+: Synthesis, Configurational Isomers, and Crystal Structures","Dalton Trans.","2017","","","","","10.1039/C7DT01134B","","","0.71073","MoKα","","0.0445","0.0357","","","0.0696","0.0732","","","","","","1.052","","","","has coordinates","197795","2020-10-21","18:00:00",""
"7043325","8.684","0.0005","15.3755","0.0009","31.2787","0.0018","90","","92.348","0.005","90","","4172.9","0.4","173","2","173","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","15gtu99_AU_Bi_cis_Cu","","","- C76 H60 Cl4 Cu2 N14 O4 P6 -","- C76 H60 Cl4 Cu2 N14 O4 P6 -","- C152 H120 Cl8 Cu4 N28 O8 P12 -","2","0.5","","Uslu, Aylin; Tümay, Süreyya Oğuz; Şenocak, Ahmet; Yuksel, Fatma; Özcan, Elif; Yeşilot, Serkan","Imidazole/Benzimidazole-Modified Cyclotriphosphazenes as Highly Selective Fluorescent Probes for Cu2+: Synthesis, Configurational Isomers, and Crystal Structures","Dalton Trans.","2017","","","","","10.1039/C7DT01134B","","","0.71073","MoKα","","0.099","0.0667","","","0.1439","0.1584","","","","","","0.98","","","","has coordinates","197795","2020-10-21","18:00:00",""
"7043326","7.93","0.003","14.405","0.005","16.407","0.004","68.23","0.011","76.869","0.014","84.941","0.014","1695","1","93","","93","","","","","","","","","5","P -1","-P 1","2","","1_Sm","","- C37 H50 N3 O4 Sm -","- C37 H50 N3 O4 Sm -","- C74 H100 N6 O8 Sm2 -","2","1","","Nakai, Hidetaka; Kuyama, Masafumi; Seo, Juncheol; Goto, Takahiro; Matsumoto, Takahiro; Ogo, Seiji","Luminescent Tb(III) and Sm(III) complexes with a 1,4,7-triazacyclononane-based tris-aryloxide ligand for high-performance oxygen sensors","Dalton Trans.","2017","","","","","10.1039/C7DT01388D","","","0.71075","MoKα","","0.0331","0.0305","","","0.0682","0.0699","","","","","","1.099","","","","has coordinates","197835","2020-10-21","18:00:00",""
"7043327","19.827","0.005","22.503","0.005","23.791","0.005","69.253","0.005","72.15","0.005","85.897","0.005","9440","4","293","2","293","2","","","","","","","","7","P -1","-P 1","2","","","","- Cs12.5 H51 K4.5 O183 Si4 Ta12 W37 -","- Cs12.5 K4.5 O183 Si4 Ta12 W37 -","- Cs25 K9 O366 Si8 Ta24 W74 -","2","1","","Huang, Peng; Wu, Hai-Yang; Huang, Min; Du, Meng; Qin, Chao; Wang, Xinlong; Su, Zhong-Min","A novel Ta/W mixed-addendum polyoxometalate with photocatalytic properties","Dalton Trans.","2017","","","","","10.1039/C7DT01890H","","","0.71069","MoKα","","0.1372","0.0728","","","0.1759","0.2247","","","","","","0.986","","","","has coordinates","197836","2020-10-21","18:00:00",""
"7043328","14.061","0.0008","8.927","0.0003","19.162","0.0009","90","","129.338","0.002","90","","1860.28","0.16","100","2","100","2","","","","","","","","5","P 1 2/c 1","-P 2yc","13","","","","- C42 H52 N6 O2 Zn -","- C42 H52 N6 O2 Zn -","- C84 H104 N12 O4 Zn2 -","2","0.5","","Leszczyński, Michał Krzysztof; Justyniak, Iwona; Zelga, Karolina; Lewinski, Janusz","From ethylzinc guanidinate to [Zn10O4]-supertetrahedron","Dalton Trans.","2017","","","","","10.1039/C7DT01619K","","","0.71073","MoKα","","0.0632","0.0518","","","0.1181","0.1255","","","","","","1.074","","","","has coordinates","197837","2020-10-21","18:00:00",""
"7043329","13.219","0.0004","13.219","0.0004","20.975","0.0005","90","","90","","90","","3665.21","0.18","100","2","100","2","","","","","","","","5","P 42/n","-P 4bc","86","","","","- C64 H116 N24 O4 Zn10 -","- C64 H116 N24 O4 Zn10 -","- C128 H232 N48 O8 Zn20 -","2","","","Leszczyński, Michał Krzysztof; Justyniak, Iwona; Zelga, Karolina; Lewinski, Janusz","From ethylzinc guanidinate to [Zn10O4]-supertetrahedron","Dalton Trans.","2017","","","","","10.1039/C7DT01619K","","","0.71073","MoKα","","0.0942","0.0588","","","0.1358","0.1522","","","","","","1.079","","","","has coordinates","197837","2020-10-21","18:00:00",""
"7043330","10.3827","0.0006","11.6579","0.0007","13.2869","0.0008","73.857","0.001","77.656","0.001","83.609","0.001","1506.82","0.16","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C62 H52 Dy2 N14 O12 -","- C62 H52 Dy2 N14 O12 -","- C62 H52 Dy2 N14 O12 -","1","0.5","","Guo, Mei; Xu, Yonghui; Wu, Jianfeng; Zhao, Lang; Tang, Jinkui","Geometry and magnetic interaction modulations in dinuclear Dy2 single-molecule magnets","Dalton Trans.","2017","","","","","10.1039/C7DT01121K","","","0.71073","MoKα","","0.0705","0.0499","","","0.0947","0.1053","","","","","","1.045","","","","has coordinates,has disorder","197838","2020-10-21","18:00:00",""
"7043331","8.2957","0.0012","9.8138","0.0014","12.7158","0.0018","101.22","0.003","103.232","0.003","104.948","0.003","937.6","0.2","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C30 H42 Dy2 N12 O14 -","- C30 H42 Dy2 N12 O14 -","- C30 H42 Dy2 N12 O14 -","1","0.5","","Guo, Mei; Xu, Yonghui; Wu, Jianfeng; Zhao, Lang; Tang, Jinkui","Geometry and magnetic interaction modulations in dinuclear Dy2 single-molecule magnets","Dalton Trans.","2017","","","","","10.1039/C7DT01121K","","","0.71073","MoKα","","0.0753","0.0572","","","0.1099","0.1192","","","","","","1.006","","","","has coordinates","197838","2020-10-21","18:00:00",""
"7043332","22.3484","0.0016","14.1037","0.001","21.8136","0.0016","90","","109.759","0.002","90","","6470.7","0.8","296","2","296.15","","","","","","","","","7","C 1 2/c 1","-C 2yc","15","","","","- C32 H54 Dy2 F12 N4 O20 S4 -","- C32 H54 Dy2 F12 N4 O20 S4 -","- C128 H216 Dy8 F48 N16 O80 S16 -","4","0.5","","Guo, Mei; Xu, Yonghui; Wu, Jianfeng; Zhao, Lang; Tang, Jinkui","Geometry and magnetic interaction modulations in dinuclear Dy2 single-molecule magnets","Dalton Trans.","2017","","","","","10.1039/C7DT01121K","","","0.71073","MoKα","","0.0544","0.0412","","","0.0959","0.1015","","","","","","1.039","","","","has coordinates,has disorder","197838","2020-10-21","18:00:00",""
"7043333","7.682","0.005","26.946","0.005","8.247","0.005","90","","113.877","0.005","90","","1561","1.4","296","2","296","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C13 H21 Cu N O7 -","- C13 H21 Cu N O7 -","- C52 H84 Cu4 N4 O28 -","4","1","","Sama, Farasha; Dhara, Ashish Kumar; Akhtar, Muammad Nadeem; Chen, Yan-Cong; Tong, Mingliang; Shahid, M.; Ansari, Istikhar A.; Raizada, Mukul; Ahmad, Musheer; Siddiqi, Zafar A.","Amino alcohols and benzoates-Friends or foes? Tuning nuclearity of Cu(II) complexes, structures, magnetism, DFT and TD-DFT studies, and catecholase like activities","Dalton Trans.","2017","","","","","10.1039/C7DT01571B","","","0.71073","MoKα","","0.0423","0.0384","","","0.108","0.1112","","","","","","1.148","","","","has coordinates,has disorder","197875","2020-10-21","18:00:00",""
"7043334","12.8083","0.0008","8.4214","0.0005","10.2651","0.0006","90","","103.604","0.003","90","","1076.17","0.11","296","2","296","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C20 H26 Cu2 N2 O6 -","- C20 H26 Cu2 N2 O6 -","- C40 H52 Cu4 N4 O12 -","2","0.5","","Sama, Farasha; Dhara, Ashish Kumar; Akhtar, Muammad Nadeem; Chen, Yan-Cong; Tong, Mingliang; Shahid, M.; Ansari, Istikhar A.; Raizada, Mukul; Ahmad, Musheer; Siddiqi, Zafar A.","Amino alcohols and benzoates-Friends or foes? Tuning nuclearity of Cu(II) complexes, structures, magnetism, DFT and TD-DFT studies, and catecholase like activities","Dalton Trans.","2017","","","","","10.1039/C7DT01571B","","","0.71073","MoKα","","0.0284","0.0232","","","0.0568","0.059","","","","","","1.079","","","","has coordinates","197875","2020-10-21","18:00:00",""
"7043335","29.866","0.004","8.1887","0.0009","10.1006","0.0012","90","","94.706","0.011","90","","2461.9","0.5","296","2","296","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C22 H30 Cu2 N2 O8 -","- C22 H30 Cu2 N2 O8 -","- C88 H120 Cu8 N8 O32 -","4","0.5","","Sama, Farasha; Dhara, Ashish Kumar; Akhtar, Muammad Nadeem; Chen, Yan-Cong; Tong, Mingliang; Shahid, M.; Ansari, Istikhar A.; Raizada, Mukul; Ahmad, Musheer; Siddiqi, Zafar A.","Amino alcohols and benzoates-Friends or foes? Tuning nuclearity of Cu(II) complexes, structures, magnetism, DFT and TD-DFT studies, and catecholase like activities","Dalton Trans.","2017","","","","","10.1039/C7DT01571B","","","0.71073","MoKα","","0.0415","0.0307","","","0.0741","0.0784","","","","","","1.042","","","","has coordinates","197875","2020-10-21","18:00:00",""
"7043336","14.7617","0.0011","8.5963","0.0007","10.0181","0.0007","90","","109.639","0.003","90","","1197.31","0.16","296","2","296","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C22 H30 Cu2 N2 O8 -","- C22 H30 Cu2 N2 O8 -","- C44 H60 Cu4 N4 O16 -","2","0.5","","Sama, Farasha; Dhara, Ashish Kumar; Akhtar, Muammad Nadeem; Chen, Yan-Cong; Tong, Mingliang; Shahid, M.; Ansari, Istikhar A.; Raizada, Mukul; Ahmad, Musheer; Siddiqi, Zafar A.","Amino alcohols and benzoates-Friends or foes? Tuning nuclearity of Cu(II) complexes, structures, magnetism, DFT and TD-DFT studies, and catecholase like activities","Dalton Trans.","2017","","","","","10.1039/C7DT01571B","","","0.71073","MoKα","","0.0304","0.026","","","0.0695","0.0716","","","","","","1.145","","","","has coordinates","197875","2020-10-21","18:00:00",""
"7043337","7.6515","0.0002","7.8302","0.0002","19.9839","0.0006","93.096","0.001","90.478","0.001","107.604","0.001","1139.17","0.05","296","2","296","2","","","","","","","","5","P -1","-P 1","2","","","","- C38 H68 Cu3 N4 O20 -","- C38 H68 Cu3 N4 O20 -","- C38 H68 Cu3 N4 O20 -","1","0.5","","Sama, Farasha; Dhara, Ashish Kumar; Akhtar, Muammad Nadeem; Chen, Yan-Cong; Tong, Mingliang; Shahid, M.; Ansari, Istikhar A.; Raizada, Mukul; Ahmad, Musheer; Siddiqi, Zafar A.","Amino alcohols and benzoates-Friends or foes? Tuning nuclearity of Cu(II) complexes, structures, magnetism, DFT and TD-DFT studies, and catecholase like activities","Dalton Trans.","2017","","","","","10.1039/C7DT01571B","","","0.71073","MoKα","","0.0285","0.0252","","","0.0673","0.0695","","","","","","1.045","","","","has coordinates","197875","2020-10-21","18:00:00",""
"7043338","7.5702","0.0005","26.9513","0.0017","8.0232","0.0005","90","","111.061","0.002","90","","1527.6","0.17","296","2","296","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C26 H42 Cu2 N2 O12 -","- C26 H42 Cu2 N2 O12 -","- C52 H84 Cu4 N4 O24 -","2","0.5","","Sama, Farasha; Dhara, Ashish Kumar; Akhtar, Muammad Nadeem; Chen, Yan-Cong; Tong, Mingliang; Shahid, M.; Ansari, Istikhar A.; Raizada, Mukul; Ahmad, Musheer; Siddiqi, Zafar A.","Amino alcohols and benzoates-Friends or foes? Tuning nuclearity of Cu(II) complexes, structures, magnetism, DFT and TD-DFT studies, and catecholase like activities","Dalton Trans.","2017","","","","","10.1039/C7DT01571B","","","0.71073","MoKα","","0.0388","0.0317","","","0.0845","0.0879","","","","","","1.174","","","","has coordinates","197875","2020-10-21","18:00:00",""
"7043339","7.3376","0.0014","21.415","0.004","10.712","0.002","90","","103.9","0.019","90","","1633.9","0.5","100","2","100","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C30 H48 Cu N2 O10 -","- C30 H48 Cu N2 O10 -","- C60 H96 Cu2 N4 O20 -","2","0.5","","Sama, Farasha; Dhara, Ashish Kumar; Akhtar, Muammad Nadeem; Chen, Yan-Cong; Tong, Mingliang; Shahid, M.; Ansari, Istikhar A.; Raizada, Mukul; Ahmad, Musheer; Siddiqi, Zafar A.","Amino alcohols and benzoates-Friends or foes? Tuning nuclearity of Cu(II) complexes, structures, magnetism, DFT and TD-DFT studies, and catecholase like activities","Dalton Trans.","2017","","","","","10.1039/C7DT01571B","","","0.71073","MoKα","","0.1369","0.0706","","","0.2066","0.2335","","","","","","1.084","","","","has coordinates","197875","2020-10-21","18:00:00",""
"7043340","25.0426","0.0014","10.0519","0.0005","23.0481","0.0013","90","","119.402","0.002","90","","5054.5","0.5","296","2","296","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C44 H46 Cu2 N6 O12 -","- C44 H46 Cu2 N6 O12 -","- C176 H184 Cu8 N24 O48 -","4","0.5","","Sama, Farasha; Dhara, Ashish Kumar; Akhtar, Muammad Nadeem; Chen, Yan-Cong; Tong, Mingliang; Shahid, M.; Ansari, Istikhar A.; Raizada, Mukul; Ahmad, Musheer; Siddiqi, Zafar A.","Amino alcohols and benzoates-Friends or foes? Tuning nuclearity of Cu(II) complexes, structures, magnetism, DFT and TD-DFT studies, and catecholase like activities","Dalton Trans.","2017","","","","","10.1039/C7DT01571B","","","0.71073","MoKα","","0.0428","0.0352","","","0.094","0.0985","","","","","","1.102","","","","has coordinates","197875","2020-10-21","18:00:00",""
"7043341","8.4412","0.0003","10.9602","0.0004","15.2987","0.0005","90","","92.741","0.001","90","","1413.77","0.09","296","2","296","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C26 H40 Cu N2 O10 -","- C26 H40 Cu N2 O10 -","- C52 H80 Cu2 N4 O20 -","2","0.5","","Sama, Farasha; Dhara, Ashish Kumar; Akhtar, Muammad Nadeem; Chen, Yan-Cong; Tong, Mingliang; Shahid, M.; Ansari, Istikhar A.; Raizada, Mukul; Ahmad, Musheer; Siddiqi, Zafar A.","Amino alcohols and benzoates-Friends or foes? Tuning nuclearity of Cu(II) complexes, structures, magnetism, DFT and TD-DFT studies, and catecholase like activities","Dalton Trans.","2017","","","","","10.1039/C7DT01571B","","","0.71073","MoKα","","0.0334","0.0301","","","0.0816","0.0845","","","","","","1.053","","","","has coordinates","197875","2020-10-21","18:00:00",""
"7043342","10.771","0.0009","11.7039","0.0011","15.2527","0.0015","90","","91.111","0.005","90","","1922.4","0.3","296","2","296","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C42 H32 Cu2 O12 -","- C42 H32 Cu2 O12 -","- C84 H64 Cu4 O24 -","2","0.5","","Sama, Farasha; Dhara, Ashish Kumar; Akhtar, Muammad Nadeem; Chen, Yan-Cong; Tong, Mingliang; Shahid, M.; Ansari, Istikhar A.; Raizada, Mukul; Ahmad, Musheer; Siddiqi, Zafar A.","Amino alcohols and benzoates-Friends or foes? Tuning nuclearity of Cu(II) complexes, structures, magnetism, DFT and TD-DFT studies, and catecholase like activities","Dalton Trans.","2017","","","","","10.1039/C7DT01571B","","","0.71073","MoKα","","0.0299","0.0265","","","0.0699","0.0722","","","","","","1.088","","","","has coordinates","197875","2020-10-21","18:00:00",""
"7043343","7.055","0.005","8.673","0.005","21.625","0.005","90","","92.895","0.005","90","","1321.5","1.2","296","2","296","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C24 H36 Cu N2 O8 -","- C24 H36 Cu N2 O8 -","- C48 H72 Cu2 N4 O16 -","2","0.5","","Sama, Farasha; Dhara, Ashish Kumar; Akhtar, Muammad Nadeem; Chen, Yan-Cong; Tong, Mingliang; Shahid, M.; Ansari, Istikhar A.; Raizada, Mukul; Ahmad, Musheer; Siddiqi, Zafar A.","Amino alcohols and benzoates-Friends or foes? Tuning nuclearity of Cu(II) complexes, structures, magnetism, DFT and TD-DFT studies, and catecholase like activities","Dalton Trans.","2017","","","","","10.1039/C7DT01571B","","","0.71073","MoKα","","0.0295","0.0281","","","0.0756","0.0774","","","","","","1.087","","","","has coordinates","197875","2020-10-21","18:00:00",""
"7043344","15.907","0.002","18.392","0.002","16.246","0.002","90","","90.35","0.01","90","","4752.9","1","200","2","200","2","","","","","","","","7","C 1 2/c 1","-C 2yc","15","","Tetrabutylammoniumtetra(phenyltelurolato)oxidotechnetate(V)","","- C41 H58 Cl2 N O Tc Te4 -","- C41 H58 Cl2 N O Tc Te4 -","- C164 H232 Cl8 N4 O4 Tc4 Te16 -","4","0.5","","Noschang Cabral, Bruno; Kirsten, Lars; Hagenbach, Adelheid; Piquini, Paulo Cesar; Patzschke, Michael; Lang, Ernesto; Abram, Ulrich","Technetium Complexes with Arylselenolato and Aryltellurolato Ligands","Dalton Trans.","2017","","","","","10.1039/C7DT02041D","","","0.71073","MoKα","","0.0861","0.0464","","","0.1127","0.132","","","","","","0.93","","","","has coordinates","197876","2020-10-21","18:00:00",""
"7043345","15.4526","0.0008","18.3197","0.0011","15.7324","0.0008","90","","90.029","0.002","90","","4453.6","0.4","100","2","100","2","","","","","","","","7","C 1 2/c 1","-C 2yc","15","","tetrabutylammonium tetra(phenylselenolato)oxidotechnetate(V) CH2Cl2 solvate","","- C41 H58 Cl2 N O Se4 Tc -","- C41 H58 Cl2 N O Se4 Tc -","- C164 H232 Cl8 N4 O4 Se16 Tc4 -","4","0.5","","Noschang Cabral, Bruno; Kirsten, Lars; Hagenbach, Adelheid; Piquini, Paulo Cesar; Patzschke, Michael; Lang, Ernesto; Abram, Ulrich","Technetium Complexes with Arylselenolato and Aryltellurolato Ligands","Dalton Trans.","2017","","","","","10.1039/C7DT02041D","","","0.71073","MoKα","","0.0409","0.0349","","","0.0867","0.0907","","","","","","1.025","","","","has coordinates","197876","2020-10-21","18:00:00",""
"7043346","10.7142","0.0006","11.2883","0.0007","18.3014","0.0012","86.201","0.002","79.812","0.002","68.285","0.002","2024","0.2","100","2","100","2","","","","","","","","6","P -1","-P 1","2","","Acetonitriletriphenylphosphinetris(2,6-dimetylphenylselenolato)technetium(III)","","- C44 H45 N P Se3 Tc -","- C44 H45 N P Se3 Tc -","- C88 H90 N2 P2 Se6 Tc2 -","2","1","","Noschang Cabral, Bruno; Kirsten, Lars; Hagenbach, Adelheid; Piquini, Paulo Cesar; Patzschke, Michael; Lang, Ernesto; Abram, Ulrich","Technetium Complexes with Arylselenolato and Aryltellurolato Ligands","Dalton Trans.","2017","","","","","10.1039/C7DT02041D","","","0.71073","MoKα","","0.0456","0.0325","","","0.0679","0.0728","","","","","","1.043","","","","has coordinates","197876","2020-10-21","18:00:00",""
"7043347","11.344","0.0006","18.5139","0.001","21.8268","0.0012","87.249","0.002","83.169","0.002","89.829","0.002","4546.3","0.4","100","2","100","2","","","","","","","","6","P -1","-P 1","2","","Acetonitriletriphenylphosphinetris(2,4,6-trimetylphenyltelurolato)technetium(III)","","- C47 H51 N P Tc Te3 -","- C47 H51 N P Tc Te3 -","- C188 H204 N4 P4 Tc4 Te12 -","4","2","","Noschang Cabral, Bruno; Kirsten, Lars; Hagenbach, Adelheid; Piquini, Paulo Cesar; Patzschke, Michael; Lang, Ernesto; Abram, Ulrich","Technetium Complexes with Arylselenolato and Aryltellurolato Ligands","Dalton Trans.","2017","","","","","10.1039/C7DT02041D","","","0.71073","MoKα","","0.0851","0.0621","","","0.1051","0.1118","","","","","","1.112","","","","has coordinates","197876","2020-10-21","18:00:00",""
"7043348","5.4177","0.0004","7.1467","0.0007","13.8359","0.0012","90","","90","","90","","535.71","0.08","293","2","293","2","","","","","","","","5","P m n 21","P 2ac -2","31","","","","- Br H6 O6 P3 Sn2 -","- Br H6 O6 P3 Sn2 -","- Br2 H12 O12 P6 Sn4 -","2","0.5","","Xie, Jie-Ling; Zhou, Yu-Hua; Li, Longhua; Zhang, Jian-Han; Song, Jun-Ling","A new method for the preparation of [Sn2(H2PO2)3]Br SHG-active polar crystal by surfactant-induced strategy","Dalton Trans.","2017","","","","","10.1039/C7DT02116J","","","0.71073","MoKα","","0.0326","0.0317","","","0.0834","0.0841","","","","","","1.067","","","","has coordinates","197877","2020-10-21","18:00:00",""
"7043349","7.9795","0.0016","13.018","0.003","13.808","0.003","69.42","0.03","76.59","0.03","83.17","0.03","1305.1","0.6","423","2","423","2","","","","","","","","6","P -1","-P 1","2","","","","- C24 H25 F6 N6 P Pt -","- C24 H25 F6 N6 P Pt -","- C48 H50 F12 N12 P2 Pt2 -","2","1","","Moustafa, Mohamed E.; McCready, Matthew S.; Boyle, Paul D.; Puddephatt, Richard J.","Photoswitchable and pH responsive organoplatinum(ii) complexes with azopyridine ligands","Dalton Trans.","2017","","","","","10.1039/C7DT01290J","","","0.71073","MoKα","","0.0699","0.0453","","","0.1032","0.1188","","","","","","1.063","","","","has coordinates","197901","2020-10-21","18:00:00",""
"7043350","11.3813","0.0007","25.62","0.0016","14.4518","0.0009","90","","92.049","0.002","90","","4211.3","0.5","150","2","150","2","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C36 H30 F6 N8 O6 Pt S2 -","- C36 H30 F6 N8 O6 Pt S2 -","- C144 H120 F24 N32 O24 Pt4 S8 -","4","1","","Moustafa, Mohamed E.; McCready, Matthew S.; Boyle, Paul D.; Puddephatt, Richard J.","Photoswitchable and pH responsive organoplatinum(ii) complexes with azopyridine ligands","Dalton Trans.","2017","","","","","10.1039/C7DT01290J","","","0.71073","MoKα","","0.0616","0.0428","","","0.0841","0.0888","","","","","","1.054","","","","has coordinates,has disorder","197901","2020-10-21","18:00:00",""
"7043351","10.325","0.002","10.666","0.002","11.957","0.002","89.55","0.03","66.98","0.03","73.46","0.03","1153.8","0.5","150","2","150","2","","","","","","","","6","P -1","-P 1","2","","","","- C22 H20 F6 N5 P Pt -","- C22 H20 F6 N5 P Pt -","- C44 H40 F12 N10 P2 Pt2 -","2","1","","Moustafa, Mohamed E.; McCready, Matthew S.; Boyle, Paul D.; Puddephatt, Richard J.","Photoswitchable and pH responsive organoplatinum(ii) complexes with azopyridine ligands","Dalton Trans.","2017","","","","","10.1039/C7DT01290J","","","0.71073","MoKα","","0.0441","0.0337","","","0.0832","0.1046","","","","","","1.155","","","","has coordinates","197901","2020-10-21","18:00:00",""
"7043352","6.4893","0.0019","11.238","0.004","16.296","0.005","94.066","0.012","92.349","0.01","103.502","0.008","1150.6","0.6","110","","110","","","","","","","","","7","P -1","-P 1","2","","","","- C21 H17 Cl F6 N5 P Pt -","- C21 H17 Cl F6 N5 P Pt -","- C42 H34 Cl2 F12 N10 P2 Pt2 -","2","1","","Moustafa, Mohamed E.; McCready, Matthew S.; Boyle, Paul D.; Puddephatt, Richard J.","Photoswitchable and pH responsive organoplatinum(ii) complexes with azopyridine ligands","Dalton Trans.","2017","","","","","10.1039/C7DT01290J","","","0.71073","MoKα","","0.0601","0.0369","","","0.065","0.0707","","","","","","1.027","","","","has coordinates","197901","2020-10-21","18:00:00",""
"7043353","18.474","0.009","12.282","0.005","22.009","0.012","90","","111.079","0.016","90","","4660","4","110","","110","","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C22 H20 F6 N5 O P Pt -","- C22 H20 F6 N5 O P Pt -","- C176 H160 F48 N40 O8 P8 Pt8 -","8","2","","Moustafa, Mohamed E.; McCready, Matthew S.; Boyle, Paul D.; Puddephatt, Richard J.","Photoswitchable and pH responsive organoplatinum(ii) complexes with azopyridine ligands","Dalton Trans.","2017","","","","","10.1039/C7DT01290J","","","0.71073","MoKα","","0.1008","0.0424","","","0.0756","0.0914","","","","","","1.025","","","","has coordinates","197901","2020-10-21","18:00:00",""
"7043354","11.8337","0.0003","38.6027","0.0009","14.755","0.0005","90","","90.519","0.003","90","","6740","0.3","130","2","130","2","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C32 H47 Li N4 O5 Sn -","- C32 H47 Li N4 O5 Sn -","- C256 H376 Li8 N32 O40 Sn8 -","8","4","","Gebauer, Ireen; Gräsing, Daniel; Matysik, Jörg; Zahn, Stefan; Zeckert, Kornelia","Penta- and hexaorganostannate(iv) complexes based on O-heterocyclic ligands","Dalton Trans.","2017","","","","","10.1039/C7DT01336A","","x-ray","0.71073","MoKα","","0.0793","0.0588","","","0.1057","0.1134","","","","","","1.072","","","","has coordinates,has disorder","197902","2020-10-21","18:00:00",""
"7043355","11.3438","0.0004","16.2908","0.0006","17.5765","0.0007","99.033","0.003","93.473","0.003","109.331","0.003","3004.8","0.2","130","2","130","2","","","","","","","","5","P -1","-P 1","2","","","","- C136 H140 K4 O22 Sn2 -","- C136 H140 K4 O22 Sn2 -","- C136 H140 K4 O22 Sn2 -","1","0.5","","Gebauer, Ireen; Gräsing, Daniel; Matysik, Jörg; Zahn, Stefan; Zeckert, Kornelia","Penta- and hexaorganostannate(iv) complexes based on O-heterocyclic ligands","Dalton Trans.","2017","","","","","10.1039/C7DT01336A","","x-ray","0.71073","MoKα","","0.0849","0.0502","","","0.1044","0.1189","","","","","","1.018","","","","has coordinates,has disorder","197902","2020-10-21","18:00:00",""
"7043356","10.9577","0.0002","10.9577","0.0002","6.2808","0.0003","90","","90","","90","","754.14","0.04","130","2","130","2","","","","","","","","4","P -4 21 c","P -4 2n","114","","","","- C16 H12 O4 Sn -","- C16 H12 O4 Sn -","- C32 H24 O8 Sn2 -","2","0.25","","Gebauer, Ireen; Gräsing, Daniel; Matysik, Jörg; Zahn, Stefan; Zeckert, Kornelia","Penta- and hexaorganostannate(iv) complexes based on O-heterocyclic ligands","Dalton Trans.","2017","","","","","10.1039/C7DT01336A","","x-ray","0.71073","MoKα","","0.0392","0.0273","","","0.05","0.0536","","","","","","1.081","","","","has coordinates","197902","2020-10-21","18:00:00",""
"7043357","9.5043","0.0004","10.5786","0.0004","16.1355","0.0005","101.143","0.003","90.176","0.003","102.155","0.003","1554.41","0.1","130","2","130","2","","","","","","","","5","P -1","-P 1","2","","","","- C32 H38 Li2 O8 Sn -","- C32 H38 Li2 O8 Sn -","- C64 H76 Li4 O16 Sn2 -","2","1","","Gebauer, Ireen; Gräsing, Daniel; Matysik, Jörg; Zahn, Stefan; Zeckert, Kornelia","Penta- and hexaorganostannate(iv) complexes based on O-heterocyclic ligands","Dalton Trans.","2017","","","","","10.1039/C7DT01336A","","x-ray","0.71073","MoKα","","0.0483","0.0297","","","0.0635","0.0697","","","","","","1.042","","","","has coordinates","197902","2020-10-21","18:00:00",""
"7043358","10.4701","0.0006","11.1005","0.0006","11.5891","0.0008","70.115","0.006","74.76","0.005","74.926","0.005","1200.26","0.14","130","2","130","2","","","","","","","","4","P -1","-P 1","2","","","","- C32 H20 O4 Sn -","- C32 H20 O4 Sn -","- C64 H40 O8 Sn2 -","2","1","","Gebauer, Ireen; Gräsing, Daniel; Matysik, Jörg; Zahn, Stefan; Zeckert, Kornelia","Penta- and hexaorganostannate(iv) complexes based on O-heterocyclic ligands","Dalton Trans.","2017","","","","","10.1039/C7DT01336A","","x-ray","0.71073","MoKα","","0.0786","0.05","","","0.0776","0.0862","","","","","","1.013","","","","has coordinates","197902","2020-10-21","18:00:00",""
"7043359","16.8107","0.0003","16.8107","0.0003","11.8355","0.0004","90","","90","","90","","3344.71","0.14","180","2","180","2","","","","","","","","4","P 43","P 4cw","78","","","","- C32 H44 Li4 O8 -","- C32 H44 Li4 O8 -","- C128 H176 Li16 O32 -","4","1","","Gebauer, Ireen; Gräsing, Daniel; Matysik, Jörg; Zahn, Stefan; Zeckert, Kornelia","Penta- and hexaorganostannate(iv) complexes based on O-heterocyclic ligands","Dalton Trans.","2017","","","","","10.1039/C7DT01336A","","x-ray","0.71073","MoKα","","0.1781","0.076","","","0.1234","0.1591","","","","","","1.048","","","","has coordinates,has disorder","197902","2020-10-21","18:00:00",""
"7043360","22.8955","0.0005","12.0287","0.0002","18.1593","0.0005","90","","104.657","0.003","90","","4838.4","0.2","130","2","130","2","","","","","","","","5","C 1 2 1","C 2y","5","","","","- C56 H57 Li O9 Sn -","- C56 H57 Li O9 Sn -","- C224 H228 Li4 O36 Sn4 -","4","1","","Gebauer, Ireen; Gräsing, Daniel; Matysik, Jörg; Zahn, Stefan; Zeckert, Kornelia","Penta- and hexaorganostannate(iv) complexes based on O-heterocyclic ligands","Dalton Trans.","2017","","","","","10.1039/C7DT01336A","","x-ray","0.71073","MoKα","","0.0473","0.0347","","","0.0661","0.07","","","","","","0.997","","","","has coordinates,has disorder","197902","2020-10-21","18:00:00",""
"7043361","16.833","0.005","21.33","0.006","7.869","0.002","90","","90","","90","","2825.3","1.4","173","2","173","2","","","","","","","","6","P n m a","-P 2ac 2n","62","","","","- C32 H22 Cr O4 P2 S -","- C32 H22 Cr O4 P2 S -","- C128 H88 Cr4 O16 P8 S4 -","4","0.5","","Zhang, Chengye; Song, Liubing; Wu, Hongfei; Ji, Xiaoyu; Jiao, Jiajun; Zhang, Jun","Ethylene tri-/tetramerization catalysts supported by diphosphinothiophene ligands","Dalton Trans.","2017","","","","","10.1039/C7DT01060E","","","0.71073","MoKα","","0.0833","0.0443","","","0.0982","0.1147","","","","","","1.008","","","","has coordinates","197903","2020-10-21","18:00:00",""
"7043362","16.801","0.007","21.284","0.009","7.993","0.004","90","","90","","90","","2858","2","298","2","298","2","","","","","","","","6","P n m a","-P 2ac 2n","62","","","","- C32 H22 Cr O4 P2 S -","- C32 H22 Cr O4 P2 S -","- C128 H88 Cr4 O16 P8 S4 -","4","0.5","","Zhang, Chengye; Song, Liubing; Wu, Hongfei; Ji, Xiaoyu; Jiao, Jiajun; Zhang, Jun","Ethylene tri-/tetramerization catalysts supported by diphosphinothiophene ligands","Dalton Trans.","2017","","","","","10.1039/C7DT01060E","","","0.71073","MoKα","","0.0816","0.0423","","","0.0782","0.0829","","","","","","0.83","","","","has coordinates,has disorder","197903","2020-10-21","18:00:00",""
"7043363","13.8095","0.0004","19.9745","0.0005","18.6144","0.0004","90","","95.971","0.001","90","","5106.7","0.2","123","2","123","2","","","","","","","","10","P 1 21/c 1","-P 2ybc","14","","anti-{μ-(diisopropylphosphanyl)(diphenylphosphanyl)acetylene}-[(carbonyl){hydridotris(3,4,5-trimethylpyrazolyl)borate}(iodido)-η2-C,C?-tungsten(II)]-[dichlorido-κ2-P,P?-platinum(II)]","","- C41 H56 B Cl6 I N6 O P2 Pt W -","- C40.9584 H55.9168 B Cl5.9168 I N6 O P2 Pt W -","- C163.834 H223.667 B4 Cl23.6672 I4 N24 O4 P8 Pt4 W4 -","4","1","","Helmdach, Kai; Dörk, Stephan; Villinger, Alexander; Seidel, Wolfram Willy","Sterically Encumbered Metalla-diphosphines: Unlocking Alkyne Rotation by PtII Coordination","Dalton Trans.","2017","","","","","10.1039/C7DT01803G","","","0.71073","MoKα","","0.0329","0.0228","","","0.047","0.0513","","","","","","1.024","","","","has coordinates,has disorder","197904","2020-10-21","18:00:00",""
"7043364","10.772","0.0003","10.9323","0.0003","18.1301","0.0006","100.651","0.001","102.567","0.002","104.278","0.001","1954.28","0.1","123","2","123","2","","","","","","","","8","P -1","-P 1","2","","[η2-C,C?-{bis(diisopropylphosphanyl)acetylene}(carbonyl){hydridotris(3,4,5-trimethylpyrazolyl)borate}(iodido)-tungsten(II)]","","- C33 H56 B I N6 O P2 W -","- C33 H56 B I N6 O P2 W -","- C66 H112 B2 I2 N12 O2 P4 W2 -","2","1","","Helmdach, Kai; Dörk, Stephan; Villinger, Alexander; Seidel, Wolfram Willy","Sterically Encumbered Metalla-diphosphines: Unlocking Alkyne Rotation by PtII Coordination","Dalton Trans.","2017","","","","","10.1039/C7DT01803G","","","0.71073","MoKα","","0.0323","0.0252","","","0.0563","0.0589","","","","","","1.027","","","","has coordinates","197904","2020-10-21","18:00:00",""
"7043365","13.0382","0.0004","22.1495","0.0006","16.9858","0.0005","90","","94.388","0.002","90","","4890.9","0.2","173","2","173","2","","","","","","","","9","P 1 21/c 1","-P 2ybc","14","","{μ-Bis(diphenylphosphanyl)acetylene}-[(carbonyl){hydridotris(3,4,5-trimethylpyrazolyl)borate}(iodido)-η2-C,C?-tungsten(II)]-[tetracarbonyl-κ2-P,P?-molybdenum(0)]","","- C49 H48 B I Mo N6 O5 P2 W -","- C49 H48 B I Mo N6 O5 P2 W -","- C196 H192 B4 I4 Mo4 N24 O20 P8 W4 -","4","1","","Helmdach, Kai; Dörk, Stephan; Villinger, Alexander; Seidel, Wolfram Willy","Sterically Encumbered Metalla-diphosphines: Unlocking Alkyne Rotation by PtII Coordination","Dalton Trans.","2017","","","","","10.1039/C7DT01803G","","","0.71073","MoKα","","0.044","0.03","","","0.0605","0.0663","","","","","","1.019","","","","has coordinates","197904","2020-10-21","18:00:00",""
"7043366","13.0737","0.0014","16.0295","0.0014","20.3881","0.0019","90","","106.624","0.005","90","","4094","0.7","123","2","123","2","","","","","","","","10","P 1 21/c 1","-P 2ybc","14","","{μ-Bis(diisopropylphosphanyl)acetylene}-[(carbonyl){hydridotris(3,4,5-trimethylpyrazolyl)borate}(iodido)-η2-C,C?-tungsten(II)]-[dichlorido-κ2-P,P?-platinum(II)]","","- C33 H56 B Cl2 I N6 O P2 Pt W -","- C33 H56 B Cl2 I N6 O P2 Pt W -","- C132 H224 B4 Cl8 I4 N24 O4 P8 Pt4 W4 -","4","1","","Helmdach, Kai; Dörk, Stephan; Villinger, Alexander; Seidel, Wolfram Willy","Sterically Encumbered Metalla-diphosphines: Unlocking Alkyne Rotation by PtII Coordination","Dalton Trans.","2017","","","","","10.1039/C7DT01803G","","","0.71073","MoKα","","0.1535","0.058","","","0.0742","0.0972","","","","","","1.009","","","","has coordinates,has disorder","197904","2020-10-21","18:00:00",""
"7043367","14.5361","0.0006","25.7551","0.001","15.0081","0.0006","90","","115.98","0.002","90","","5050.9","0.4","123","2","123","2","","","","","","","","10","P 1 21/n 1","-P 2yn","14","","syn-{μ-(diisopropylphosphanyl)(diphenylphosphanyl)acetylene}-[(carbonyl){hydridotris(3,4,5-trimethylpyrazolyl)borate}(iodido)-η2-C,C?-tungsten(II)]-[dichlorido-κ2-P,P?-platinum(II)]","","- C40.92 H55.88 B Cl5.89 I N6 O P2 Pt W -","- C40.943 H55.886 B Cl5.886 I N6 O P2 Pt W -","- C163.772 H223.544 B4 Cl23.544 I4 N24 O4 P8 Pt4 W4 -","4","1","","Helmdach, Kai; Dörk, Stephan; Villinger, Alexander; Seidel, Wolfram Willy","Sterically Encumbered Metalla-diphosphines: Unlocking Alkyne Rotation by PtII Coordination","Dalton Trans.","2017","","","","","10.1039/C7DT01803G","","","0.71073","MoKα","","0.0353","0.026","","","0.0569","0.0608","","","","","","1.029","","","","has coordinates,has disorder","197904","2020-10-21","18:00:00",""
"7043368","15.4421","0.0006","16.6727","0.0006","21.744","0.0009","90","","91.937","0.002","90","","5595","0.4","123","2","123","2","","","","","","","","10","P 1 21/n 1","-P 2yn","14","","{μ-Bis(diphenylphosphanyl)acetylene}-[(carbonyl){hydridotris(3,4,5-trimethylpyrazolyl)borate}(iodido)-η2-C,C?-tungsten(II)]-[dichlorido-κ2-P,P?-platinum(II)]","","- C48 H54 B Cl8 I N6 O P2 Pt W -","- C48 H54 B Cl8 I N6 O P2 Pt W -","- C192 H216 B4 Cl32 I4 N24 O4 P8 Pt4 W4 -","4","1","","Helmdach, Kai; Dörk, Stephan; Villinger, Alexander; Seidel, Wolfram Willy","Sterically Encumbered Metalla-diphosphines: Unlocking Alkyne Rotation by PtII Coordination","Dalton Trans.","2017","","","","","10.1039/C7DT01803G","","","0.71073","MoKα","","0.0721","0.0369","","","0.0552","0.064","","","","","","1.013","","","","has coordinates,has disorder","197904","2020-10-21","18:00:00",""
"7043369","3.5385","0.0002","15.151","0.0012","8.3696","0.0006","90","","94.465","0.002","90","","447.35","0.05","298","2","298","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C H3 N4 Na O2 -","- C H3 N4 Na O2 -","- C4 H12 N16 Na4 O8 -","4","1","","He, Piao; Wu, Le; Wu, Jin-Ting; Yin, Xin; Gozin, Michael; Zhang, Jian-Guo","Alkali and alkaline earth metal salts of tetrazolone: structurally interesting and excellently thermostable","Dalton Trans.","2017","","","","","10.1039/C7DT01179B","","","0.71073","MoKα","","0.0471","0.0426","","","0.1241","0.1289","","","","","","1.092","","","","has coordinates","197905","2020-10-21","18:00:00",""
"7043370","6.6379","0.0005","16.5198","0.0014","9.1359","0.0007","90","","90","","90","","1001.81","0.14","298","2","298","2","","","","","","","","5","C m c e","-C 2ac 2","64","","","","- C2 H10 Mg N8 O6 -","- C2 H10 Mg N8 O6 -","- C8 H40 Mg4 N32 O24 -","4","0.25","","He, Piao; Wu, Le; Wu, Jin-Ting; Yin, Xin; Gozin, Michael; Zhang, Jian-Guo","Alkali and alkaline earth metal salts of tetrazolone: structurally interesting and excellently thermostable","Dalton Trans.","2017","","","","","10.1039/C7DT01179B","","","0.71073","MoKα","","0.055","0.0501","","","0.1354","0.1401","","","","","","1.109","","","","has coordinates,has disorder","197905","2020-10-21","18:00:00",""
"7043371","14.9853","0.001","24.4542","0.0015","6.7717","0.0003","90","","90","","90","","2481.5","0.3","298","2","298.15","","","","","","","","","5","C c c m","-C 2 2c","66","","Calcium 5-oxotetrazolate pentahydrate","","- C5 H28 Ca2 N20 O16 -","- C5 H28 Ca2 N20 O16 -","- C20 H112 Ca8 N80 O64 -","4","0.25","","He, Piao; Wu, Le; Wu, Jin-Ting; Yin, Xin; Gozin, Michael; Zhang, Jian-Guo","Alkali and alkaline earth metal salts of tetrazolone: structurally interesting and excellently thermostable","Dalton Trans.","2017","","","","","10.1039/C7DT01179B","","","0.71073","MoKα","","0.1415","0.129","","","0.2995","0.3075","","","","","","1.197","","","","has coordinates,has disorder","197905","2020-10-21","18:00:00",""
"7043372","6.6019","0.0004","5.087","0.0003","14.9308","0.0009","90","","99.846","0.002","90","","494.05","0.05","298","2","298","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C H3 Li N4 O2 -","- C H3 Li N4 O2 -","- C4 H12 Li4 N16 O8 -","4","1","","He, Piao; Wu, Le; Wu, Jin-Ting; Yin, Xin; Gozin, Michael; Zhang, Jian-Guo","Alkali and alkaline earth metal salts of tetrazolone: structurally interesting and excellently thermostable","Dalton Trans.","2017","","","","","10.1039/C7DT01179B","","","0.71073","MoKα","","0.0614","0.051","","","0.1296","0.1339","","","","","","1.163","","","","has coordinates,has disorder","197905","2020-10-21","18:00:00",""
"7043373","15.4882","0.0013","6.334","0.0005","9.3181","0.0008","90","","107.545","0.002","90","","871.6","0.13","298","2","298.15","","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","Barium 5-oxotetrazolate dehydrate","","- C2 H6 Ba N8 O4 -","- C2 H6 Ba N8 O4 -","- C8 H24 Ba4 N32 O16 -","4","0.5","","He, Piao; Wu, Le; Wu, Jin-Ting; Yin, Xin; Gozin, Michael; Zhang, Jian-Guo","Alkali and alkaline earth metal salts of tetrazolone: structurally interesting and excellently thermostable","Dalton Trans.","2017","","","","","10.1039/C7DT01179B","","","0.71073","MoKα","","0.0422","0.0394","","","0.0925","0.0931","","","","","","1.151","","","","has coordinates","197905","2020-10-21","18:00:00",""
"7043374","4.948","0.0003","7.1191","0.0006","7.4189","0.0007","67.289","0.001","71.888","0.001","89.451","0.002","227.3","0.03","298","2","298.15","","","","","","","","","5","P -1","-P 1","2","","Rubidium 5-oxotetrazolate","","- C H N4 O Rb -","- C H N4 O Rb -","- C2 H2 N8 O2 Rb2 -","2","1","","He, Piao; Wu, Le; Wu, Jin-Ting; Yin, Xin; Gozin, Michael; Zhang, Jian-Guo","Alkali and alkaline earth metal salts of tetrazolone: structurally interesting and excellently thermostable","Dalton Trans.","2017","","","","","10.1039/C7DT01179B","","","0.71073","MoKα","","0.1303","0.1196","","","0.2932","0.3052","","","","","","1.334","","","","has coordinates","197905","2020-10-21","18:00:00",""
"7043375","11.2966","0.0009","14.7871","0.0013","6.9961","0.0005","90","","90","","90","","1168.66","0.16","298","2","298","2","","","","","","","","5","P n n m","-P 2 2n","58","","","","- C4 H24 N16 O14 Sr2 -","- C4 H24 N16 O14 Sr2 -","- C8 H48 N32 O28 Sr4 -","2","0.25","","He, Piao; Wu, Le; Wu, Jin-Ting; Yin, Xin; Gozin, Michael; Zhang, Jian-Guo","Alkali and alkaline earth metal salts of tetrazolone: structurally interesting and excellently thermostable","Dalton Trans.","2017","","","","","10.1039/C7DT01179B","","","0.71073","MoKα","","0.0369","0.031","","","0.0722","0.0747","","","","","","1.014","","","","has coordinates","212110","2020-10-21","18:00:00",""
"7043376","4.1001","0.0004","12.9476","0.0011","8.1433","0.0008","90","","101.419","0.002","90","","423.74","0.07","298","2","298","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C H K N4 O -","- C H K N4 O -","- C4 H4 K4 N16 O4 -","4","1","","He, Piao; Wu, Le; Wu, Jin-Ting; Yin, Xin; Gozin, Michael; Zhang, Jian-Guo","Alkali and alkaline earth metal salts of tetrazolone: structurally interesting and excellently thermostable","Dalton Trans.","2017","","","","","10.1039/C7DT01179B","","","0.71073","MoKα","","0.0449","0.0307","","","0.0708","0.0753","","","","","","1.079","","","","has coordinates","197905","2020-10-21","18:00:00",""
"7043377","6.9541","0.0005","13.8119","0.0012","4.903","0.0004","90","","90","","90","","470.93","0.07","298","2","298.15","","","","","","","","","5","P b a m","-P 2 2ab","55","","Cesium 5-oxotetrazolate","","- C H Cs N4 O -","- C H Cs N4 O -","- C4 H4 Cs4 N16 O4 -","4","0.5","","He, Piao; Wu, Le; Wu, Jin-Ting; Yin, Xin; Gozin, Michael; Zhang, Jian-Guo","Alkali and alkaline earth metal salts of tetrazolone: structurally interesting and excellently thermostable","Dalton Trans.","2017","","","","","10.1039/C7DT01179B","","","0.71073","MoKα","","0.0552","0.0499","","","0.119","0.1213","","","","","","1.248","","","","has coordinates","197905","2020-10-21","18:00:00",""
"7043378","13.4324","0.0004","29.5119","0.0005","10.4236","0.0002","90","","106.469","0.002","90","","3962.55","0.16","93","2","93","2","","","101","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C43 H21.14 Cl2.86 F10 N6 Ni O1.57 -","- C43 H21.1446 Cl2.856 F10 N6 Ni O1.572 -","- C172 H84.5784 Cl11.424 F40 N24 Ni4 O6.288 -","4","1","","Faialaga, Nathan Hikaru; Ito, Satoru; Shinokubo, Hiroshi; Kim, Yonghun; Kim, Kimoon; Shin, Ji-Young","A Synthesis of Novel Expanded Porphyrinoids: NiII-Induced Nitrile Cyclization of Dicyanovinylene-Bis(meso-Aryl)Dipyrrin","Dalton Trans.","2017","","","","","10.1039/C7DT01838J","","x-ray","0.71073","MoKα","","0.0803","0.0637","","","0.1829","0.1993","","","","","","1.046","","","","has coordinates,has disorder","197906","2020-10-21","18:00:00",""
"7043379","16.065","0.003","20.758","0.004","21.059","0.004","103.63","0.03","94.83","0.03","108.69","0.03","6367","3","100","2","100","2","","","101","","","","","5","P -1","-P 1","2","","","","- C69.5 H21.5 F20 N12 Ni2 -","- C69.5 H21.5 F20 N12 Ni2 -","- C278 H86 F80 N48 Ni8 -","4","2","","Faialaga, Nathan Hikaru; Ito, Satoru; Shinokubo, Hiroshi; Kim, Yonghun; Kim, Kimoon; Shin, Ji-Young","A Synthesis of Novel Expanded Porphyrinoids: NiII-Induced Nitrile Cyclization of Dicyanovinylene-Bis(meso-Aryl)Dipyrrin","Dalton Trans.","2017","","","","","10.1039/C7DT01838J","","x-ray","0.7","synchrotron","","0.0939","0.0761","","","0.222","0.2412","","","","","","1.068","","","","has coordinates,has disorder","197906","2020-10-21","18:00:00",""
"7043380","26.083","0.005","13.252","0.003","17.938","0.004","90","","105.99","0.03","90","","5960","2","100","2","100","2","","","101","","","","","6","P 1 21/a 1","-P 2yab","14","","","","- C69 H19 Cl3 F20 N12 Ni2 -","- C69 H19 Cl3 F20 N12 Ni2 -","- C276 H76 Cl12 F80 N48 Ni8 -","4","1","","Faialaga, Nathan Hikaru; Ito, Satoru; Shinokubo, Hiroshi; Kim, Yonghun; Kim, Kimoon; Shin, Ji-Young","A Synthesis of Novel Expanded Porphyrinoids: NiII-Induced Nitrile Cyclization of Dicyanovinylene-Bis(meso-Aryl)Dipyrrin","Dalton Trans.","2017","","","","","10.1039/C7DT01838J","","x-ray","0.7","synchrotron","","0.1304","0.0847","","","0.1852","0.2024","","","","","","0.966","","","","has coordinates","197906","2020-10-21","18:00:00",""
"7043381","13.3822","0.0007","13.6064","0.0007","25.1718","0.0012","90","","109.193","0.002","90","","4328.6","0.4","296","2","296","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C30 H24 Ag I7 N6 Pb2 Zn -","- C30 H24 Ag I7 N6 Pb2 Zn -","- C120 H96 Ag4 I28 N24 Pb8 Zn4 -","4","1","","Yue, Cheng-Yang; Lei, Xiao-Wu; Lu, Xinxiu; Li, Yan; Wei, Jun-Chao; Wang, Wei; Yin, Yun-Dong; Wang, Ning","Comparison Studies of Hybrid Lead Halide [MPb2X7]2‒ (M = Cu, Ag; X = Br, I) Chains: Band Structures and Visible Light Driven Photocatalytic Properties","Dalton Trans.","2017","","","","","10.1039/C7DT00820A","","","0.71073","MoKα","","0.063","0.0371","","","0.0811","0.0897","","","","","","1.018","","","","has coordinates","197908","2020-10-21","18:00:00",""
"7043382","13.3531","0.0008","13.6037","0.0009","25.0588","0.0013","90","","109.25","0.003","90","","4297.5","0.5","296","2","296","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C30 H24 Ag I7 N6 Ni Pb2 -","- C30 H24 Ag I7 N6 Ni Pb2 -","- C120 H96 Ag4 I28 N24 Ni4 Pb8 -","4","1","","Yue, Cheng-Yang; Lei, Xiao-Wu; Lu, Xinxiu; Li, Yan; Wei, Jun-Chao; Wang, Wei; Yin, Yun-Dong; Wang, Ning","Comparison Studies of Hybrid Lead Halide [MPb2X7]2‒ (M = Cu, Ag; X = Br, I) Chains: Band Structures and Visible Light Driven Photocatalytic Properties","Dalton Trans.","2017","","","","","10.1039/C7DT00820A","","","0.71073","MoKα","","0.055","0.0328","","","0.0688","0.0752","","","","","","1.02","","","","has coordinates","197908","2020-10-21","18:00:00",""
"7043383","13.3592","0.0017","13.6112","0.0017","25.065","0.003","90","","109.246","0.005","90","","4303","0.9","296","2","296","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C30 H24 Ag Co I7 N6 Pb2 -","- C30 H24 Ag Co I7 N6 Pb2 -","- C120 H96 Ag4 Co4 I28 N24 Pb8 -","4","1","","Yue, Cheng-Yang; Lei, Xiao-Wu; Lu, Xinxiu; Li, Yan; Wei, Jun-Chao; Wang, Wei; Yin, Yun-Dong; Wang, Ning","Comparison Studies of Hybrid Lead Halide [MPb2X7]2‒ (M = Cu, Ag; X = Br, I) Chains: Band Structures and Visible Light Driven Photocatalytic Properties","Dalton Trans.","2017","","","","","10.1039/C7DT00820A","","","0.71073","MoKα","","0.0565","0.0334","","","0.0693","0.076","","","","","","1.007","","","","has coordinates","197908","2020-10-21","18:00:00",""
"7043384","12.623","0.002","13.165","0.002","24.17","0.004","90","","108.377","0.007","90","","3811.8","1.1","296","2","296","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C30 H24 Ag Br7 Fe N6 Pb2 -","- C30 H24 Ag Br7 Fe N6 Pb2 -","- C120 H96 Ag4 Br28 Fe4 N24 Pb8 -","4","1","","Yue, Cheng-Yang; Lei, Xiao-Wu; Lu, Xinxiu; Li, Yan; Wei, Jun-Chao; Wang, Wei; Yin, Yun-Dong; Wang, Ning","Comparison Studies of Hybrid Lead Halide [MPb2X7]2‒ (M = Cu, Ag; X = Br, I) Chains: Band Structures and Visible Light Driven Photocatalytic Properties","Dalton Trans.","2017","","","","","10.1039/C7DT00820A","","","0.71073","MoKα","","0.0536","0.0333","","","0.0678","0.0735","","","","","","1.012","","","","has coordinates","197908","2020-10-21","18:00:00",""
"7043385","12.6772","0.0019","13.165","0.002","24.569","0.004","90","","108.433","0.007","90","","3890.1","1.1","296","2","296","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C30 H24 Ag Br7 N6 Ni Pb2 -","- C30 H24 Ag Br7 N6 Ni Pb2 -","- C120 H96 Ag4 Br28 N24 Ni4 Pb8 -","4","1","","Yue, Cheng-Yang; Lei, Xiao-Wu; Lu, Xinxiu; Li, Yan; Wei, Jun-Chao; Wang, Wei; Yin, Yun-Dong; Wang, Ning","Comparison Studies of Hybrid Lead Halide [MPb2X7]2‒ (M = Cu, Ag; X = Br, I) Chains: Band Structures and Visible Light Driven Photocatalytic Properties","Dalton Trans.","2017","","","","","10.1039/C7DT00820A","","","0.71073","MoKα","","0.0736","0.0364","","","0.0524","0.0591","","","","","","1.016","","","","has coordinates","197908","2020-10-21","18:00:00",""
"7043386","12.6392","0.0012","12.9423","0.0013","24.9861","0.0018","90","","108.031","0.004","90","","3886.5","0.6","296","2","296","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C30 H24 Br7 Co Cu N6 Pb2 -","- C30 H24 Br7 Co Cu N6 Pb2 -","- C120 H96 Br28 Co4 Cu4 N24 Pb8 -","4","1","","Yue, Cheng-Yang; Lei, Xiao-Wu; Lu, Xinxiu; Li, Yan; Wei, Jun-Chao; Wang, Wei; Yin, Yun-Dong; Wang, Ning","Comparison Studies of Hybrid Lead Halide [MPb2X7]2‒ (M = Cu, Ag; X = Br, I) Chains: Band Structures and Visible Light Driven Photocatalytic Properties","Dalton Trans.","2017","","","","","10.1039/C7DT00820A","","","0.71073","MoKα","","0.0775","0.0427","","","0.0861","0.0969","","","","","","1.014","","","","has coordinates","197908","2020-10-21","18:00:00",""
"7043387","8.1267","0.0003","9.0933","0.0003","11.0788","0.0007","102.78","0.002","97.314","0.002","107.473","0.001","744.89","0.06","100","2","100","2","","","","","","","","7","P 1","P 1","1","","","","- C30 H37 Cl2 O3 P Ru S -","- C30 H37 Cl2 O3 P Ru S -","- C30 H37 Cl2 O3 P Ru S -","1","1","","Biancalana, Lorenzo; Batchelor, Lucinda K.; De Palo, Alice; Zacchini, Stefano; Pampaloni, Guido; Dyson, Paul J.; Marchetti, Fabio","A general strategy to add diversity to ruthenium arene complexes with bioactive organic compounds via a coordinated (4-hydroxyphenyl)diphenylphosphine ligand","Dalton Trans.","2017","","","","","10.1039/C7DT02062G","","","0.71073","MoKα","","0.0254","0.025","","","0.0638","0.064","","","","","","1.049","","","","has coordinates","197956","2020-10-21","18:00:00",""
"7043388","10.985","0.0003","12.0865","0.0004","13.9883","0.0004","114.075","0.001","92.914","0.002","97.381","0.002","1670.66","0.09","293","2","293","2","","","","","","","","6","P -1","-P 1","2","","","","- C37 H35 Cl2 O4 P Ru -","- C37 H35 Cl2 O4 P Ru -","- C74 H70 Cl4 O8 P2 Ru2 -","2","1","","Biancalana, Lorenzo; Batchelor, Lucinda K.; De Palo, Alice; Zacchini, Stefano; Pampaloni, Guido; Dyson, Paul J.; Marchetti, Fabio","A general strategy to add diversity to ruthenium arene complexes with bioactive organic compounds via a coordinated (4-hydroxyphenyl)diphenylphosphine ligand","Dalton Trans.","2017","","","","","10.1039/C7DT02062G","","","0.71073","MoKα","","0.0667","0.0443","","","0.102","0.1134","","","","","","1.042","","","","has coordinates","197956","2020-10-21","18:00:00",""
"7043389","12.1984","0.0005","14.8577","0.0005","18.2375","0.0007","90","","101.868","0.004","90","","3234.7","0.2","100","1","100","1","","","","","","","","7","C 1 2/c 1","-C 2yc","15","","","","- C39 H28 F6 Ir N4 O P -","- C39 H28 F6 Ir N4 O P -","- C156 H112 F24 Ir4 N16 O4 P4 -","4","0.5","","Orwat, Bartosz; Witkowska, Ewelina; Kownacki, Ireneusz; Oh, Myong-joon; Hoffmann, Marcin; Kubicki, Maciej; Grzelak, Izabela; Marciniec, Bogdan; Głowacki, Ireneusz; Luszczynska, Beata; Wiosna-Sałyga, Gabriela; Ulanski, Jacek; Ledwon, Przemyslaw; Lapkowski, Mieczyslaw","Microwave-assisted one-pot synthesis of new ionic cyclometalated iridium complexes of [Ir(bzq)2(N^N)]+A- type and their selected electroluminescent properties","Dalton Trans.","2017","","","","","10.1039/C7DT01372H","","x-ray","0.71073","MoKα","","0.0254","0.0214","","","0.0694","0.0732","","","","","","1.041","","","","has coordinates","197957","2020-10-21","18:00:00",""
"7043390","12.7207","0.0005","14.4809","0.0006","18.6448","0.0012","90","","93.662","0.005","90","","3427.5","0.3","100","1","100","1","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C38 H28 Cl2 F6 Ir N4 P -","- C38 H28 Cl2 F6 Ir N4 P -","- C152 H112 Cl8 F24 Ir4 N16 P4 -","4","1","","Orwat, Bartosz; Witkowska, Ewelina; Kownacki, Ireneusz; Oh, Myong-joon; Hoffmann, Marcin; Kubicki, Maciej; Grzelak, Izabela; Marciniec, Bogdan; Głowacki, Ireneusz; Luszczynska, Beata; Wiosna-Sałyga, Gabriela; Ulanski, Jacek; Ledwon, Przemyslaw; Lapkowski, Mieczyslaw","Microwave-assisted one-pot synthesis of new ionic cyclometalated iridium complexes of [Ir(bzq)2(N^N)]+A- type and their selected electroluminescent properties","Dalton Trans.","2017","","","","","10.1039/C7DT01372H","","x-ray","0.71073","MoKα","","0.0472","0.0387","","","0.0885","0.0911","","","","","","1.097","","","","has coordinates","197957","2020-10-21","18:00:00",""
"7043391","7.5779","0.0007","16.7991","0.0014","11.0317","0.001","90","","93.03","0.003","90","","1402.4","0.2","296","2","296.15","","","","","","","","","8","P 1 21/n 1","-P 2yn","14","","","","- C11 H8 Cl F3 Ge N2 O3 S -","- C11 H8 Cl F3 Ge N2 O3 S -","- C44 H32 Cl4 F12 Ge4 N8 O12 S4 -","4","1","","Gray, Paul; Krause, Katherine; Burford, Neil; Patrick, Brian O.","Mono- and Dicationic 2,2’-bipyridine Complexes of Germanium(II) and Tin(II)","Dalton Trans.","2017","","","","","10.1039/C7DT02148H","","x-ray","0.71073","MoKα","","0.0441","0.032","","","0.0715","0.0759","","","","","","1.047","","","","has coordinates","197958","2020-10-21","18:00:00",""
"7043392","8.4505","0.0006","9.0047","0.0006","11.104","0.0007","75.645","0.002","69.497","0.003","86.077","0.003","766.56","0.09","100","1","100","1","","","","","","","","3","P -1","-P 1","2","","","","- C20 H12 Sb2 -","- C20 H12 Sb2 -","- C40 H24 Sb4 -","2","1","","Ganesamoorthy, Chelladurai; Heimann, Stefan; Hölscher, Sandra; Haack, Rebekka; Wölper, Christoph; Jansen, Georg; Schulz, Stephan","Synthesis, Structure and Dispersion In-teractions in Bis(1,8-naphtha-lendiyl)distibine","Dalton Trans.","2017","","","","","10.1039/C7DT02165H","","","0.71073","MoKα","","0.0252","0.0228","","","0.0524","0.0536","","","","","","1.083","","","","has coordinates","197959","2020-10-21","18:00:00",""
"7043393","10.725","0.002","12.172","0.003","16.726","0.004","97.02","0.004","92.083","0.004","96.151","0.004","2151.9","0.8","120","2","120","2","","","","","","","","6","P -1","-P 1","2","(pFlip)Pd","(1,1'-bis-(4-(3,5-di-tert-butyl-1,2-iminosemiquinonato)phenyl)-ferrocene)palladium(II)","","- C50 H56 Fe N2 O2 Pd -","- C50 H56 Fe N2 O2 Pd -","- C100 H112 Fe2 N4 O4 Pd2 -","2","1","","Swanson, Daniel D.; Conner, Kyle M.; Brown, Seth N.","A chelating bis(aminophenol) ligand bridged by a 1,1'-ferrocene-bis(para-phenylene) linker","Dalton Trans.","2017","","","","","10.1039/C7DT01945A","","","0.71073","MoKα","","0.075","0.0414","","","0.0803","0.0901","","","","","","1.014","","","","has coordinates,has disorder","198022","2020-10-21","18:00:00",""
"7043394","9.6212","0.0005","12.5576","0.0007","17.8478","0.001","76.952","0.002","82.976","0.003","82.099","0.003","2071.4","0.2","120","2","120","2","","","","","","","","5","P -1","-P 1","2","pFlipH4","1,1'-bis-(4-((2-hydroxy-3,5-di-tert-butylphenyl)amino)-phenyl)ferrocene","","- C50 H60 Fe N2 O2 -","- C50 H60 Fe N2 O2 -","- C100 H120 Fe2 N4 O4 -","2","1","","Swanson, Daniel D.; Conner, Kyle M.; Brown, Seth N.","A chelating bis(aminophenol) ligand bridged by a 1,1'-ferrocene-bis(para-phenylene) linker","Dalton Trans.","2017","","","","","10.1039/C7DT01945A","","","0.71073","MoKα","","0.0517","0.0395","","","0.102","0.1091","","","","","","1.045","","","","has coordinates,has disorder","198022","2020-10-21","18:00:00",""
"7043395","39.5026","0.0009","21.495","0.0006","30.4701","0.0009","90","","90.077","0.002","90","","25872.4","1.2","123","0.1","123","0.1","","","","","","","","8","I 1 2/a 1","-I 2ya","15","","","","- C170.72 H111 F60.23 Fe4 N29 O6.17 P3.67 S0.73 -","- C170.73 H111 F60.21 Fe4 N29 O6.19 P3.67 S0.73 -","- C682.92 H444 F240.84 Fe16 N116 O24.76 P14.68 S2.92 -","4","0.5","","Struch, Niklas; Topić, Filip; Rissanen, Kari; Lützen, Arne","Electron-deficient trifluoromethyl-substituted sub-components affect the properties of M4L4 tetrahedral cages","Dalton Trans.","2017","","","","","10.1039/C7DT02182H","","x-ray","1.54184","CuKα","","0.1138","0.0965","","","0.2914","0.3161","","","","","","1.283","","","","has coordinates,has disorder","198057","2020-10-21","18:00:00",""
"7043396","10.313","0.001","10.47","0.001","19.742","0.002","90","","93.17","0.01","90","","2128.4","0.4","200","2","200","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","JC301","[(Z)-11-carboxy-1-morpholino-6,9-dioxo-3-phenyl-1- thioxo-2,4,7,10-tetraazaundec-2-ene-4,7,10-triido]oxidorhenium(V)} monohydrate","","- C18 H22 N5 O7 Re S -","- C18 H22 N5 O7 Re S -","- C72 H88 N20 O28 Re4 S4 -","4","1","","Castillo Gomez, Juan Daniel; Hagenbach, Adelheid; Gerling, Ulla; Koksch, Beate; Beindorff, Nicola; Brenner, Winfried; Abram, Ulrich","Thiourea Derivatives as Chelating Agents for Bioconjugation of Rhenium and Technetium","Dalton Trans.","2017","","","","","10.1039/C7DT01834G","","","0.71073","MoKα","","0.0789","0.0432","","","0.0803","0.0881","","","","","","0.951","","","","has coordinates,has disorder","198103","2020-10-21","18:00:00",""
"7043397","10.291","0.001","10.494","0.002","19.742","0.002","90","","92.84","0.01","90","","2129.4","0.5","200","2","200","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","JC419","[(Z)-11-carboxy-1-morpholino-6,9-dioxo-3-phenyl-1-thioxo-2,4,7,10-tetraazaundec-2-ene-4,7,10-triido]oxidotechnetium(V)}monohydrate","","- C18 H22 N5 O7 S Tc -","- C18 H22 N5 O7 S Tc -","- C72 H88 N20 O28 S4 Tc4 -","4","1","","Castillo Gomez, Juan Daniel; Hagenbach, Adelheid; Gerling, Ulla; Koksch, Beate; Beindorff, Nicola; Brenner, Winfried; Abram, Ulrich","Thiourea Derivatives as Chelating Agents for Bioconjugation of Rhenium and Technetium","Dalton Trans.","2017","","","","","10.1039/C7DT01834G","","","0.71073","MoKα","","0.1228","0.0527","","","0.108","0.1295","","","","","","0.825","","","","has coordinates,has disorder","198103","2020-10-21","18:00:00",""
"7043398","14.654","0.001","9.687","0.001","17.806","0.001","90","","94.15","0.01","90","","2521","0.3","200","2","200","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","JC455","[(Z)-11-carboxy-1-diethylamino-6,9-dioxo-3-phenyl-1-thioxo-2,4,7,10-tetraazaundec-2-ene-4,7,10-triido]oxidotechnetium(V)}monohydrate; Acetone","","- C21 H30 N5 O7 S Tc -","- C21 H30 N5 O7 S Tc -","- C84 H120 N20 O28 S4 Tc4 -","4","1","","Castillo Gomez, Juan Daniel; Hagenbach, Adelheid; Gerling, Ulla; Koksch, Beate; Beindorff, Nicola; Brenner, Winfried; Abram, Ulrich","Thiourea Derivatives as Chelating Agents for Bioconjugation of Rhenium and Technetium","Dalton Trans.","2017","","","","","10.1039/C7DT01834G","","","0.71073","MoKα","","0.0604","0.0332","","","0.0649","0.0701","","","","","","0.864","","","","has coordinates","198103","2020-10-21","18:00:00",""
"7043399","9.0975","0.0002","9.4329","0.0002","17.3409","0.0003","82.054","0.001","84.621","0.001","83.115","0.001","1458.69","0.05","133","2","133","2","","","","","","","","6","P -1","-P 1","2","","","","- C21 H36 I2 N4 Na2 O2 -","- C21 H36 I2 N4 Na2 O2 -","- C42 H72 I4 N8 Na4 O4 -","2","1","","Westerhausen, Matthias; Koch, Alexander; Görls, Helmar; Krieck, Sven","Coordination Behavior of Bidentate Bis(carbenes) at Alkali Metal Bis(trimethylsilyl)amides","Dalton Trans.","2017","","","","","10.1039/C7DT01538K","","","0.71073","MoKα","","0.0307","0.0271","","","0.0566","0.0591","","","","","","1.123","","","","has coordinates,has disorder","198105","2020-10-21","18:00:00",""
"7043400","13.6901","0.0003","8.6914","0.0002","27.0435","0.0005","90","","92.465","0.001","90","","3214.82","0.12","133","2","133","2","","","","","","","","5","P 1 2/c 1","-P 2yc","13","","","","- C24 H72 Li4 N4 Si8 -","- C24 H72 Li4 N4 Si8 -","- C48 H144 Li8 N8 Si16 -","2","0.5","","Westerhausen, Matthias; Koch, Alexander; Görls, Helmar; Krieck, Sven","Coordination Behavior of Bidentate Bis(carbenes) at Alkali Metal Bis(trimethylsilyl)amides","Dalton Trans.","2017","","","","","10.1039/C7DT01538K","","","0.71073","MoKα","","0.0879","0.0849","","","0.2487","0.2515","","","","","","1.115","","","","has coordinates","198105","2020-10-21","18:00:00",""
"7043401","11.9364","0.0002","23.8335","0.0004","15.9497","0.0002","90","","92.007","0.001","90","","4534.69","0.12","133","2","133","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C44 H66 Li N5 Si2 -","- C44 H66 Li N5 Si2 -","- C176 H264 Li4 N20 Si8 -","4","1","","Westerhausen, Matthias; Koch, Alexander; Görls, Helmar; Krieck, Sven","Coordination Behavior of Bidentate Bis(carbenes) at Alkali Metal Bis(trimethylsilyl)amides","Dalton Trans.","2017","","","","","10.1039/C7DT01538K","","","0.71073","MoKα","","0.0859","0.0677","","","0.1662","0.1808","","","","","","1.048","","","","has coordinates,has disorder","198105","2020-10-21","18:00:00",""
"7043402","11.8026","0.0002","12.4884","0.0003","16.4591","0.0002","92.514","0.001","103.129","0.001","100.373","0.001","2314.86","0.07","133","2","133","2","","","","","","","","5","P -1","-P 1","2","","","","- C88 H132 K2 N10 Si4 -","- C88 H132 K2 N10 Si4 -","- C88 H132 K2 N10 Si4 -","1","0.5","","Westerhausen, Matthias; Koch, Alexander; Görls, Helmar; Krieck, Sven","Coordination Behavior of Bidentate Bis(carbenes) at Alkali Metal Bis(trimethylsilyl)amides","Dalton Trans.","2017","","","","","10.1039/C7DT01538K","","","0.71073","MoKα","","0.0602","0.0529","","","0.1161","0.1206","","","","","","1.129","","","","has coordinates,has disorder","198105","2020-10-21","18:00:00",""
"7043403","13.0953","0.0003","13.6852","0.0003","16.2711","0.0004","90","","107.895","0.001","90","","2774.9","0.11","133","2","133","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C19 H38 K N5 Si2 -","- C19 H38 K N5 Si2 -","- C76 H152 K4 N20 Si8 -","4","1","","Westerhausen, Matthias; Koch, Alexander; Görls, Helmar; Krieck, Sven","Coordination Behavior of Bidentate Bis(carbenes) at Alkali Metal Bis(trimethylsilyl)amides","Dalton Trans.","2017","","","","","10.1039/C7DT01538K","","","0.71073","MoKα","","0.0736","0.0653","","","0.1607","0.1667","","","","","","1.114","","","","has coordinates,has disorder","198105","2020-10-21","18:00:00",""
"7043404","18.6565","0.0004","10.6289","0.0002","21.3114","0.0004","90","","105.527","0.001","90","","4071.78","0.14","133","2","133","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C74 H116 N10 Na2 Si4 -","- C74 H116 N10 Na2 Si4 -","- C148 H232 N20 Na4 Si8 -","2","0.5","","Westerhausen, Matthias; Koch, Alexander; Görls, Helmar; Krieck, Sven","Coordination Behavior of Bidentate Bis(carbenes) at Alkali Metal Bis(trimethylsilyl)amides","Dalton Trans.","2017","","","","","10.1039/C7DT01538K","","","0.71073","MoKα","","0.0774","0.0575","","","0.1179","0.1277","","","","","","1.075","","","","has coordinates","291143","2024-04-09","08:48:40",""
"7043405","12.6536","0.0006","18.7909","0.0009","26.3295","0.0012","81.48","0.002","79.723","0.002","88.933","0.002","6091.8","0.5","150","2","150","2","","","","","","","","6","P -1","-P 1","2","","","","- C96 H126 Cu4 N16 O44 P2 -","- C96 H126 Cu4 N16 O44 P2 -","- C192 H252 Cu8 N32 O88 P4 -","2","1","","Mesquita, Lígia M.; Mateus, Pedro; Fernandes, Rui D. V.; Iranzo, Olga; André, Vânia; Tiago de Oliveira, Filipe; Platas-Iglesias, Carlos; Delgado, Rita","Recognition of Phosphopeptides by a Dinuclear Copper(II) Macrocyclic Complex in Water:Methanol 50:50 v/v Solution","Dalton Trans.","2017","","","","","10.1039/C7DT01724C","","","0.71069","MoKα","","0.2086","0.0926","","","0.2289","0.2845","","","","","","1.048","","","","has coordinates,has disorder","198106","2020-10-21","18:00:00",""
"7043406","11.0004","0.0006","14.5902","0.0006","16.9126","0.0008","108.771","0.004","104.898","0.004","91.213","0.004","2467.6","0.2","130","2","130","2","","","","","","","","6","P -1","-P 1","2","","","","- C26 H31 Au F P S -","- C26 H31 Au F P S -","- C104 H124 Au4 F4 P4 S4 -","4","2","","Moreno-Alcántar, Luis Guillermo; Hess, Kristopher; Guevara-Vela, José Manuel; Rocha-Rinza, Tomás; Martín Pendás, Angel; Flores-Alamo, Marcos; Torrens, Hugo","π-Backbonding and non-covalent interactions in JohnPhos and polyfluorothiolate complexes of gold(I)","Dalton Trans.","2017","","","","","10.1039/C7DT00961E","","","0.71073","MoKα","","0.047","0.0338","","","0.0685","0.0764","","","","","","1.064","","","","has coordinates","198107","2020-10-21","18:00:00",""
"7043407","10.3561","0.0002","19.21","0.0005","25.719","0.0006","90","","90","","90","","5116.6","0.2","298","2","298","2","","","","","","","","6","P b c a","-P 2ac 2ab","61","","","","- C26 H28 Au F4 P S -","- C26 H28 Au F4 P S -","- C208 H224 Au8 F32 P8 S8 -","8","1","","Moreno-Alcántar, Luis Guillermo; Hess, Kristopher; Guevara-Vela, José Manuel; Rocha-Rinza, Tomás; Martín Pendás, Angel; Flores-Alamo, Marcos; Torrens, Hugo","π-Backbonding and non-covalent interactions in JohnPhos and polyfluorothiolate complexes of gold(I)","Dalton Trans.","2017","","","","","10.1039/C7DT00961E","","","0.71073","MoKα","","0.0551","0.0322","","","0.0586","0.0658","","","","","","1.076","","","","has coordinates","198107","2020-10-21","18:00:00",""
"7043408","10.2791","0.0004","19.2381","0.0008","26.2618","0.001","90","","90","","90","","5193.3","0.4","298","2","298","2","","","","","","","","6","P b c a","-P 2ac 2ab","61","","","","- C26 H27 Au F5 P S -","- C26 H27 Au F5 P S -","- C208 H216 Au8 F40 P8 S8 -","8","1","","Moreno-Alcántar, Luis Guillermo; Hess, Kristopher; Guevara-Vela, José Manuel; Rocha-Rinza, Tomás; Martín Pendás, Angel; Flores-Alamo, Marcos; Torrens, Hugo","π-Backbonding and non-covalent interactions in JohnPhos and polyfluorothiolate complexes of gold(I)","Dalton Trans.","2017","","","","","10.1039/C7DT00961E","","","0.71073","MoKα","","0.089","0.048","","","0.0795","0.0921","","","","","","1.077","","","","has coordinates","198107","2020-10-21","18:00:00",""
"7043409","9.8864","0.0006","11.9819","0.0007","21.5082","0.0011","75.206","0.005","82.287","0.005","85.619","0.005","2438.7","0.2","403","2","403","2","","","","","","","","6","P -1","-P 1","2","","","","- C26 H30 Au F2 P S -","- C26 H30 Au F2 P S -","- C104 H120 Au4 F8 P4 S4 -","4","2","","Moreno-Alcántar, Luis Guillermo; Hess, Kristopher; Guevara-Vela, José Manuel; Rocha-Rinza, Tomás; Martín Pendás, Angel; Flores-Alamo, Marcos; Torrens, Hugo","π-Backbonding and non-covalent interactions in JohnPhos and polyfluorothiolate complexes of gold(I)","Dalton Trans.","2017","","","","","10.1039/C7DT00961E","","","0.71073","MoKα","","0.0497","0.0343","","","0.058","0.0646","","","","","","0.972","","","","has coordinates","198107","2020-10-21","18:00:00",""
"7043410","10.4259","0.0004","18.4324","0.0006","11.9129","0.0004","90","","106.15","0.004","90","","2199.01","0.14","100","2","100","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C21 H27 Au F3 P S -","- C21 H27 Au F3 P S -","- C84 H108 Au4 F12 P4 S4 -","4","1","","Moreno-Alcántar, Luis Guillermo; Hess, Kristopher; Guevara-Vela, José Manuel; Rocha-Rinza, Tomás; Martín Pendás, Angel; Flores-Alamo, Marcos; Torrens, Hugo","π-Backbonding and non-covalent interactions in JohnPhos and polyfluorothiolate complexes of gold(I)","Dalton Trans.","2017","","","","","10.1039/C7DT00961E","","","0.71073","MoKα","","0.0457","0.0356","","","0.0748","0.0798","","","","","","1.117","","","","has coordinates","198107","2020-10-21","18:00:00",""
"7043411","13.3235","0.0008","12.9471","0.0006","15.1958","0.001","90","","106.518","0.007","90","","2513.1","0.3","298","2","298","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C26 H30 Au F2 P S -","- C26 H30 Au F2 P S -","- C104 H120 Au4 F8 P4 S4 -","4","1","","Moreno-Alcántar, Luis Guillermo; Hess, Kristopher; Guevara-Vela, José Manuel; Rocha-Rinza, Tomás; Martín Pendás, Angel; Flores-Alamo, Marcos; Torrens, Hugo","π-Backbonding and non-covalent interactions in JohnPhos and polyfluorothiolate complexes of gold(I)","Dalton Trans.","2017","","","","","10.1039/C7DT00961E","","","0.71073","MoKα","","0.0699","0.0346","","","0.0551","0.0667","","","","","","1.03","","","","has coordinates","198107","2020-10-21","18:00:00",""
"7043412","11.1857","0.0004","14.4424","0.0009","16.8674","0.001","109.492","0.006","104.94","0.004","90.395","0.004","2469","0.3","130","2","130","2","","","","","","","","6","P -1","-P 1","2","","","","- C26 H31 Au F P S -","- C26 H31 Au F P S -","- C104 H124 Au4 F4 P4 S4 -","4","2","","Moreno-Alcántar, Luis Guillermo; Hess, Kristopher; Guevara-Vela, José Manuel; Rocha-Rinza, Tomás; Martín Pendás, Angel; Flores-Alamo, Marcos; Torrens, Hugo","π-Backbonding and non-covalent interactions in JohnPhos and polyfluorothiolate complexes of gold(I)","Dalton Trans.","2017","","","","","10.1039/C7DT00961E","","","0.71073","MoKα","","0.043","0.0294","","","0.0495","0.0547","","","","","","1.056","","","","has coordinates","198107","2020-10-21","18:00:00",""
"7043413","8.4347","0.0008","17.9915","0.0015","16.224","0.0013","90","","101.12","0.008","90","","2415.8","0.4","130","2","130","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C26 H31 Au F P S -","- C26 H31 Au F P S -","- C104 H124 Au4 F4 P4 S4 -","4","1","","Moreno-Alcántar, Luis Guillermo; Hess, Kristopher; Guevara-Vela, José Manuel; Rocha-Rinza, Tomás; Martín Pendás, Angel; Flores-Alamo, Marcos; Torrens, Hugo","π-Backbonding and non-covalent interactions in JohnPhos and polyfluorothiolate complexes of gold(I)","Dalton Trans.","2017","","","","","10.1039/C7DT00961E","","","0.71073","MoKα","","0.0425","0.0335","","","0.0763","0.0828","","","","","","1.055","","","","has coordinates","198107","2020-10-21","18:00:00",""
"7043414","15.1812","0.0011","10.1211","0.0008","35.9635","0.0027","90","","93.995","0.005","90","","5512.4","0.7","100","2","100","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C70 H56 N2 O2 S2 -","- C70 H56 N2 O2 S2 -","- C280 H224 N8 O8 S8 -","4","1","","Beltrán, Tomás F.; Zaragoza, Guillermo; Delaude, Lionel","Synthesis and complexation of superbulky imidazolium-2-dithiocarboxylate ligands","Dalton Trans.","2017","","","","","10.1039/C7DT01889D","","x-ray","0.71073","MoKα","","0.1193","0.0584","","","0.1362","0.1687","","","","","","1.003","","","","has coordinates","198128","2020-10-21","18:00:00",""
"7043415","20.7406","0.0008","14.4781","0.0005","19.8518","0.0007","90","","90","","90","","5961.2","0.4","100","2","100","2","","","","","","","","7","P n a 21","P 2c -2n","33","","","","- C73 H56 Br N2 O5 Re S2 -","- C73 H56 Br N2 O5 Re S2 -","- C292 H224 Br4 N8 O20 Re4 S8 -","4","1","","Beltrán, Tomás F.; Zaragoza, Guillermo; Delaude, Lionel","Synthesis and complexation of superbulky imidazolium-2-dithiocarboxylate ligands","Dalton Trans.","2017","","","","","10.1039/C7DT01889D","","x-ray","0.7107","MoKα","","0.082","0.0477","","","0.0813","0.0928","","","","","","0.981","","","","has coordinates","198128","2020-10-21","18:00:00",""
"7043416","15.2889","0.0015","18.8666","0.0016","26.085","0.003","90","","94.809","0.003","90","","7497.7","1.3","100","2","100","2","","","","","","","","9","P 1 21/n 1","-P 2yn","14","","","","- C86 H83.2 Cl F6 N2 O4.6 P Ru S2 -","- C86 H83.2 Cl F6 N2 O4.6 P Ru S2 -","- C344 H332.8 Cl4 F24 N8 O18.4 P4 Ru4 S8 -","4","1","","Beltrán, Tomás F.; Zaragoza, Guillermo; Delaude, Lionel","Synthesis and complexation of superbulky imidazolium-2-dithiocarboxylate ligands","Dalton Trans.","2017","","","","","10.1039/C7DT01889D","","x-ray","0.7107","MoKα","","0.1291","0.0612","","","0.1278","0.1551","","","","","","1.022","","","","has coordinates,has disorder","198128","2020-10-21","18:00:00",""
"7043417","15.0178","0.0005","19.167","0.0007","25.3278","0.0008","90","","95.922","0.002","90","","7251.6","0.4","100","2","100","2","","","","","","","","8","P 1 21/n 1","-P 2yn","14","","","","- C82 H74 Cl5 F6 N2 P Ru S2 -","- C82 H74 Cl5 F6 N2 P Ru S2 -","- C328 H296 Cl20 F24 N8 P4 Ru4 S8 -","4","1","","Beltrán, Tomás F.; Zaragoza, Guillermo; Delaude, Lionel","Synthesis and complexation of superbulky imidazolium-2-dithiocarboxylate ligands","Dalton Trans.","2017","","","","","10.1039/C7DT01889D","","x-ray","0.7107","MoKα","","0.0803","0.0446","","","0.0976","0.1118","","","","","","1.021","","","","has coordinates,has disorder","198128","2020-10-21","18:00:00",""
"7043418","13.0675","0.0006","22.543","0.0011","22.5273","0.0011","90","","104.971","0.002","90","","6410.9","0.5","100","2","100","2","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C76 H63 Br N2 O3 Re S2 -","- C76 H63 Br N2 O3 Re S2 -","- C304 H252 Br4 N8 O12 Re4 S8 -","4","1","","Beltrán, Tomás F.; Zaragoza, Guillermo; Delaude, Lionel","Synthesis and complexation of superbulky imidazolium-2-dithiocarboxylate ligands","Dalton Trans.","2017","","","","","10.1039/C7DT01889D","","x-ray","0.7107","MoKα","","0.0502","0.0316","","","0.0562","0.0605","","","","","","1.024","","","","has coordinates,has disorder","198128","2020-10-21","18:00:00",""
"7043419","13.4144","0.0015","16.6967","0.0016","25.6311","0.0023","90","","104.491","0.003","90","","5558.1","1","100","2","100","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C70 H56 N2 S2 -","- C70 H56 N2 S2 -","- C280 H224 N8 S8 -","4","1","","Beltrán, Tomás F.; Zaragoza, Guillermo; Delaude, Lionel","Synthesis and complexation of superbulky imidazolium-2-dithiocarboxylate ligands","Dalton Trans.","2017","","","","","10.1039/C7DT01889D","","x-ray","0.71073","MoKα","","0.0801","0.0508","","","0.1142","0.1276","","","","","","1.033","","","","has coordinates","198128","2020-10-21","18:00:00",""
"7043420","8.363","0.0004","13.3324","0.0006","31.828","0.0016","90","","96.605","0.002","90","","3525.2","0.3","298","2","298","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C34 H30 Cl4 Cu F12 N2 -","- C34 H30 Cl4 Cu F12 N2 -","- C136 H120 Cl16 Cu4 F48 N8 -","4","0.5","","Marti-Rujas, javier; Guo, Fang; Wang, Zhen; Zhang, Jinjing; Li, Hai Tao; Famulari, Antonino","Insights on the electron-donating and withdrawing effect of the functional groups on mechanochemical dehydrochlorination reactions","Dalton Trans.","2017","","","","","10.1039/C7DT01710C","","","1.54178","CuKα","","0.0514","0.0499","","","0.1139","0.1149","","","","","","1.043","","","","has coordinates","198129","2020-10-21","18:00:00",""
"7043421","15.096","0.003","10.201","0.002","29.484","0.006","90","","90","","90","","4540.4","1.6","298","2","298","2","","","","","","","","6","P b c n","-P 2n 2ab","60","","","","- C44 H60 Cl4 Cu N2 O2 -","- C44 H60 Cl4 Cu N2 O2 -","- C176 H240 Cl16 Cu4 N8 O8 -","4","0.5","","Marti-Rujas, javier; Guo, Fang; Wang, Zhen; Zhang, Jinjing; Li, Hai Tao; Famulari, Antonino","Insights on the electron-donating and withdrawing effect of the functional groups on mechanochemical dehydrochlorination reactions","Dalton Trans.","2017","","","","","10.1039/C7DT01710C","","","0.71073","MoKα","","0.1646","0.1065","","","0.2753","0.3306","","","","","","1.056","","","","has coordinates","198129","2020-10-21","18:00:00",""
"7043422","15.0472","0.0017","9.0535","0.001","28.697","0.003","90","","96.439","0.004","90","","3884.7","0.7","173","2","173","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C34 H30 Cl4 F12 N2 Zn -","- C34 H30 Cl4 F12 N2 Zn -","- C136 H120 Cl16 F48 N8 Zn4 -","4","1","","Marti-Rujas, javier; Guo, Fang; Wang, Zhen; Zhang, Jinjing; Li, Hai Tao; Famulari, Antonino","Insights on the electron-donating and withdrawing effect of the functional groups on mechanochemical dehydrochlorination reactions","Dalton Trans.","2017","","","","","10.1039/C7DT01710C","","","0.71073","MoKα","","0.0551","0.0485","","","0.1065","0.1108","","","","","","1.153","","","","has coordinates","198129","2020-10-21","18:00:00",""
"7043423","13.7673","0.0007","12.468","0.0006","20.2998","0.0009","90","","96.859","0.002","90","","3459.5","0.3","293","2","293","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C36 H40 Cl2 Cu N2 O -","- C36 H40 Cl2 Cu N2 O -","- C144 H160 Cl8 Cu4 N8 O4 -","4","0.5","","Marti-Rujas, javier; Guo, Fang; Wang, Zhen; Zhang, Jinjing; Li, Hai Tao; Famulari, Antonino","Insights on the electron-donating and withdrawing effect of the functional groups on mechanochemical dehydrochlorination reactions","Dalton Trans.","2017","","","","","10.1039/C7DT01710C","","","0.71073","MoKα","","0.0821","0.0636","","","0.1556","0.1662","","","","","","1.138","","","","has coordinates","198129","2020-10-21","18:00:00",""
"7043424","14.8842","0.0013","9.26","0.0008","28.75","0.003","90","","98.718","0.003","90","","3916.8","0.6","173","2","173","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C34 H30 Cd Cl4 F12 N2 -","- C34 H30 Cd Cl4 F12 N2 -","- C136 H120 Cd4 Cl16 F48 N8 -","4","1","","Marti-Rujas, javier; Guo, Fang; Wang, Zhen; Zhang, Jinjing; Li, Hai Tao; Famulari, Antonino","Insights on the electron-donating and withdrawing effect of the functional groups on mechanochemical dehydrochlorination reactions","Dalton Trans.","2017","","","","","10.1039/C7DT01710C","","","0.71073","MoKα","","0.0549","0.0438","","","0.0974","0.1031","","","","","","1.106","","","","has coordinates","198129","2020-10-21","18:00:00",""
"7043425","15.184","0.005","9.121","0.003","28.925","0.01","90","","96.075","0.005","90","","3983","2","173.15","","173.15","","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C34 H30 Cl4 Co F12 N2 -","- C34 H30 Cl4 Co F12 N2 -","- C136 H120 Cl16 Co4 F48 N8 -","4","1","","Marti-Rujas, javier; Guo, Fang; Wang, Zhen; Zhang, Jinjing; Li, Hai Tao; Famulari, Antonino","Insights on the electron-donating and withdrawing effect of the functional groups on mechanochemical dehydrochlorination reactions","Dalton Trans.","2017","","","","","10.1039/C7DT01710C","","","0.71073","MoKα","","0.0825","0.0592","","","0.1308","0.1383","","","","","","1.029","","","","has coordinates,has disorder","198129","2020-10-21","18:00:00",""
"7043426","11.443","0.004","12.524","0.004","13.131","0.005","110.34","0.02","108.484","0.013","90.749","0.014","1657.3","1","100","2","100","","","","","","","","","6","P -1","-P 1","2","","","","- C31 H28 F12 N6 P2 Ru -","- C31 H28 F12 N6 P2 Ru -","- C62 H56 F24 N12 P4 Ru2 -","2","1","","Park, Sungho V.; Berry, John F.","Synthesis, characterization and solution behavior of a systematic series of pentapyridyl-supported RuII complexes: Comparison to bimetallic analogs","Dalton Trans.","2017","","","","","10.1039/C7DT01847A","","","0.71073","MoKα","","0.0608","0.0391","","","0.086","0.0906","","","","","","1.036","","","","has coordinates","198152","2020-10-21","18:00:00",""
"7043427","11.563","0.004","12.841","0.005","13.303","0.005","82.409","0.011","65.522","0.013","64.36","0.02","1618","1.1","100","2","100","","","","","","","","","7","P -1","-P 1","2","","","","- C29 H31 F12 N5 O3 P2 Ru -","- C29 H31 F12 N5 O3 P2 Ru -","- C58 H62 F24 N10 O6 P4 Ru2 -","2","1","","Park, Sungho V.; Berry, John F.","Synthesis, characterization and solution behavior of a systematic series of pentapyridyl-supported RuII complexes: Comparison to bimetallic analogs","Dalton Trans.","2017","","","","","10.1039/C7DT01847A","","","0.71073","MoKα","","0.0795","0.0472","","","0.1168","0.125","","","","","","1.024","","","","has coordinates,has disorder","198152","2020-10-21","18:00:00",""
"7043428","9.805","0.004","12.202","0.004","12.256","0.005","94.783","0.011","99.495","0.012","106.992","0.016","1369.6","0.9","100","2","100.01","","","","","","","","","6","P -1","-P 1","2","","","","- C29 H25 F6 N8 P Ru -","- C29 H25 F6 N8 P Ru -","- C58 H50 F12 N16 P2 Ru2 -","2","1","","Park, Sungho V.; Berry, John F.","Synthesis, characterization and solution behavior of a systematic series of pentapyridyl-supported RuII complexes: Comparison to bimetallic analogs","Dalton Trans.","2017","","","","","10.1039/C7DT01847A","","","0.71073","MoKα","","0.0776","0.0546","","","0.1213","0.1303","","","","","","1.022","","","","has coordinates","198152","2020-10-21","18:00:00",""
"7043429","7.201","0.0003","11.3494","0.0004","7.8693","0.0005","90","","115.502","0.007","90","","580.47","0.06","100","2","100","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C4 H10 Cl3 Nb S3 -","- C4 H10 Cl3 Nb S3 -","- C8 H20 Cl6 Nb2 S6 -","2","1","","Chang, Yao-Pang; Hector, Andrew L.; Levason, William; Reid, Gillian","Chalcogenoether complexes of Nb(V) thio- and seleno-halides as single source precursors for low pressure chemical vapour deposition of NbS2 and NbSe2 thin films","Dalton Trans.","2017","","","","","10.1039/C7DT01911D","","","0.71073","MoKα","","0.0179","0.0175","","","0.0423","0.0425","","","","","","1.059","","","","has coordinates","198153","2020-10-21","18:00:00",""
"7043430","10.0061","0.0001","10.0061","0.0001","26.11","0.0008","90","","90","","90","","2614.19","0.09","100","2","100","2","","","","","","","","6","I 41/a","-I 4ad","88","","","","- C5 H12 Cl3 Nb S Se2 -","- C5 H12 Cl3 Nb S Se2 -","- C40 H96 Cl24 Nb8 S8 Se16 -","8","","","Chang, Yao-Pang; Hector, Andrew L.; Levason, William; Reid, Gillian","Chalcogenoether complexes of Nb(V) thio- and seleno-halides as single source precursors for low pressure chemical vapour deposition of NbS2 and NbSe2 thin films","Dalton Trans.","2017","","","","","10.1039/C7DT01911D","","","0.71073","MoKα","","0.0423","0.0302","","","0.0634","0.0679","","","","","","1.027","","","","has coordinates","198153","2020-10-21","18:00:00",""
"7043431","7.2513","0.0005","13.0295","0.0006","9.8715","0.0007","90","","108.075","0.007","90","","886.64","0.1","100","2","100","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C2 H6 Cl3 Nb S2 -","- C2 H6 Cl3 Nb S2 -","- C8 H24 Cl12 Nb4 S8 -","4","2","","Chang, Yao-Pang; Hector, Andrew L.; Levason, William; Reid, Gillian","Chalcogenoether complexes of Nb(V) thio- and seleno-halides as single source precursors for low pressure chemical vapour deposition of NbS2 and NbSe2 thin films","Dalton Trans.","2017","","","","","10.1039/C7DT01911D","","","0.71073","MoKα","","0.0424","0.036","","","0.0725","0.0745","","","","","","1.014","","","","has coordinates","198153","2020-10-21","18:00:00",""
"7043432","8.7791","0.0002","9.1658","0.0002","19.6825","0.0005","90","","98.753","0.002","90","","1565.36","0.06","100","2","100","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C8 H18 Cl3 Nb S3 -","- C8 H18 Cl3 Nb S3 -","- C32 H72 Cl12 Nb4 S12 -","4","1","","Chang, Yao-Pang; Hector, Andrew L.; Levason, William; Reid, Gillian","Chalcogenoether complexes of Nb(V) thio- and seleno-halides as single source precursors for low pressure chemical vapour deposition of NbS2 and NbSe2 thin films","Dalton Trans.","2017","","","","","10.1039/C7DT01911D","","","0.71073","MoKα","","0.0504","0.0375","","","0.0839","0.0907","","","","","","1.064","","","","has coordinates","198153","2020-10-21","18:00:00",""
"7043433","26.5567","0.0006","11.9483","0.0002","26.6871","0.0005","90","","91.1024","0.0016","90","","8466.4","0.3","150","2","150","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C50 H38 Co N6 O4 U -","- C50 H38 Co N6 O4 U -","- C400 H304 Co8 N48 O32 U8 -","8","1","","Camp, Clément; Toniolo, Davide; Andrez, Julie; Pécaut, Jacques; Mazzanti, Marinella","A versatile route to homo- and hetero-bimetallic 5f‒5f and 3d‒5f complexes supported by a redox active ligand framework","Dalton Trans.","2017","","","","","10.1039/C7DT01993A","","","0.71073","MoKα","","0.0554","0.0369","","","0.0631","0.069","","","","","","1.022","","","","has coordinates","198154","2020-10-21","18:00:00",""
"7043434","11.735","0.0005","19.997","0.0007","22.9587","0.0009","76.376","0.003","77.185","0.003","78.707","0.003","5046.6","0.4","100.01","0.1","100.01","0.1","","","","","","","","6","P -1","-P 1","2","","","","- C52 H52 Cl2 N4 O7 U2 -","- C52 H52 Cl2 N4 O7 U2 -","- C208 H208 Cl8 N16 O28 U8 -","4","2","","Camp, Clément; Toniolo, Davide; Andrez, Julie; Pécaut, Jacques; Mazzanti, Marinella","A versatile route to homo- and hetero-bimetallic 5f‒5f and 3d‒5f complexes supported by a redox active ligand framework","Dalton Trans.","2017","","","","","10.1039/C7DT01993A","","x-ray","1.54184","CuKα","","0.0449","0.0363","","","0.0882","0.0931","","","","","","0.994","","","","has coordinates","198154","2020-10-21","18:00:00",""
"7043435","11.6829","0.0002","23.5857","0.0004","20.112","0.0004","90","","104.034","0.002","90","","5376.44","0.17","100.01","0.1","100.01","0.1","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C65 H53 Co N9 O4 U -","- C65 H53 Co N9 O4 U -","- C260 H212 Co4 N36 O16 U4 -","4","1","","Camp, Clément; Toniolo, Davide; Andrez, Julie; Pécaut, Jacques; Mazzanti, Marinella","A versatile route to homo- and hetero-bimetallic 5f‒5f and 3d‒5f complexes supported by a redox active ligand framework","Dalton Trans.","2017","","","","","10.1039/C7DT01993A","","x-ray","0.71073","MoKα","","0.0375","0.0277","","","0.0543","0.0572","","","","","","1.05","","","","has coordinates,has disorder","198154","2020-10-21","18:00:00",""
"7043436","26.2314","0.0008","12.9229","0.0003","27.192","0.0007","90","","96.858","0.003","90","","9151.7","0.4","150","2","150","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C54 H56 N4 Ni O7.5 U -","- C54 H56 N4 Ni O7.5 U -","- C432 H448 N32 Ni8 O60 U8 -","8","1","","Camp, Clément; Toniolo, Davide; Andrez, Julie; Pécaut, Jacques; Mazzanti, Marinella","A versatile route to homo- and hetero-bimetallic 5f‒5f and 3d‒5f complexes supported by a redox active ligand framework","Dalton Trans.","2017","","","","","10.1039/C7DT01993A","","","0.71073","MoKα","","0.0855","0.0467","","","0.0741","0.0846","","","","","","1.027","","","","has coordinates,has disorder","198154","2020-10-21","18:00:00",""
"7043437","26.2903","0.0017","12.927","0.007","27.0396","0.0012","90","","96.065","0.006","90","","9138","5","150","0.1","150","0.1","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C54 H56 Co N4 O7.5 U -","- C54 H56 Co N4 O7.5 U -","- C432 H448 Co8 N32 O60 U8 -","8","1","","Camp, Clément; Toniolo, Davide; Andrez, Julie; Pécaut, Jacques; Mazzanti, Marinella","A versatile route to homo- and hetero-bimetallic 5f‒5f and 3d‒5f complexes supported by a redox active ligand framework","Dalton Trans.","2017","","","","","10.1039/C7DT01993A","","","0.71073","MoKα","","0.0955","0.0581","","","0.1055","0.1203","","","","","","1.058","","","","has coordinates,has disorder","198154","2020-10-21","18:00:00",""
"7043438","13.3578","0.0011","15.3976","0.0007","38.2404","0.0017","90","","90.91","0.005","90","","7864.2","0.8","150","0.1","150","0.1","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C85 H73 I2 N13 O4 U2 -","- C85 H73 I2 N13 O4 U2 -","- C340 H292 I8 N52 O16 U8 -","4","1","","Camp, Clément; Toniolo, Davide; Andrez, Julie; Pécaut, Jacques; Mazzanti, Marinella","A versatile route to homo- and hetero-bimetallic 5f‒5f and 3d‒5f complexes supported by a redox active ligand framework","Dalton Trans.","2017","","","","","10.1039/C7DT01993A","","","0.71073","MoKα","","0.1183","0.08","","","0.1338","0.1494","","","","","","1.108","","","","has coordinates","198154","2020-10-21","18:00:00",""
"7043439","15.9293","0.0005","10.8047","0.0003","16.2295","0.0005","90","","95.76","0.001","90","","2779.18","0.14","133","2","133","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C26 H21 Fe2 N O8 Se2 -","- C26 H21 Fe2 N O8 Se2 -","- C104 H84 Fe8 N4 O32 Se8 -","4","1","","Weigand, Wolfgang; Abul-Futouh, Hassan; Zagranyarski, Yulian; Müller, Carolin; Schulz, Martin; Kupfer, Stephan; Görls, Helmar; El-khateeb, Mohammad Yaseen; Gräfe, Stefanie; Dietzek, Benjamin; Peneva, Kalina","[FeFe]-Hydrogenase H-Cluster Mimics Mediated by Naphthalene Monoimide Derivatives of Peri-Substituted Dichalcogenides","Dalton Trans.","2017","","","","","10.1039/C7DT02079A","","","0.71073","MoKα","","0.0543","0.0408","","","0.0815","0.0879","","","","","","1.065","","","","has coordinates","198155","2020-10-21","18:00:00",""
"7043440","8.2929","0.0002","27.603","0.0006","21.7671","0.0004","90","","98.931","0.001","90","","4922.27","0.18","133","2","133","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C24.5 H20 Cl3 N O2 Se2 -","- C24.5 H20 Cl3 N O2 Se2 -","- C196 H160 Cl24 N8 O16 Se16 -","8","2","","Weigand, Wolfgang; Abul-Futouh, Hassan; Zagranyarski, Yulian; Müller, Carolin; Schulz, Martin; Kupfer, Stephan; Görls, Helmar; El-khateeb, Mohammad Yaseen; Gräfe, Stefanie; Dietzek, Benjamin; Peneva, Kalina","[FeFe]-Hydrogenase H-Cluster Mimics Mediated by Naphthalene Monoimide Derivatives of Peri-Substituted Dichalcogenides","Dalton Trans.","2017","","","","","10.1039/C7DT02079A","","","0.71073","MoKα","","0.0676","0.0481","","","0.0941","0.1017","","","","","","1.067","","","","has coordinates","198155","2020-10-21","18:00:00",""
"7043441","13.9262","0.0003","14.1295","0.0003","19.6116","0.0003","90","","90","","90","","3858.98","0.13","133","2","133","2","","","","","","","","8","P 21 21 21","P 2ac 2ab","19","","","","- C32 H23 Br2 Cl4 Fe2 N O8 S2 -","- C32 H23 Br2 Cl4 Fe2 N O8 S2 -","- C128 H92 Br8 Cl16 Fe8 N4 O32 S8 -","4","1","","Weigand, Wolfgang; Abul-Futouh, Hassan; Zagranyarski, Yulian; Müller, Carolin; Schulz, Martin; Kupfer, Stephan; Görls, Helmar; El-khateeb, Mohammad Yaseen; Gräfe, Stefanie; Dietzek, Benjamin; Peneva, Kalina","[FeFe]-Hydrogenase H-Cluster Mimics Mediated by Naphthalene Monoimide Derivatives of Peri-Substituted Dichalcogenides","Dalton Trans.","2017","","","","","10.1039/C7DT02079A","","","0.71073","MoKα","","0.0633","0.0523","","","0.1092","0.1156","","","","","","1.092","","","","has coordinates,has disorder","198155","2020-10-21","18:00:00",""
"7043442","7.9205","0.0005","10.6701","0.0006","12.6536","0.0008","106.766","0.005","97.488","0.005","102.659","0.005","977.37","0.11","295","2","295","2","","","","","","","","6","P -1","-P 1","2","","","","- C20 H17 Cl2 Cu N3 O2 -","- C20 H17 Cl2 Cu N3 O2 -","- C40 H34 Cl4 Cu2 N6 O4 -","2","1","","Czerwińska, Katarzyna Anna; Machura, Barbara; Kula, Sławomir; Krompiec, Stanislaw; Erfurt, Karol; Rodrigues, Catarina; Fernandes, Alexandra; Shul'pina, Lidia S.; Ikonnikov, Nikolay S.; Shul'pin, Georgiy B.","Copper(II) complexes of functionalized 2,2′:6′,2′′-terpyridines and 2,6-di(thiazol-2-yl)pyridine. Structure, spectroscopy, cytotoxicity and catalytic activity","Dalton Trans.","2017","","","","","10.1039/C7DT01244F","","","0.71073","MoKα","","0.0544","0.0369","","","0.0803","0.0863","","","","","","1.012","","","","has coordinates","198156","2020-10-21","18:00:00",""
"7043443","21.3169","0.0008","10.968","0.0005","7.5747","0.0004","90","","90","","90","","1770.99","0.14","295","2","295","2","","","","","","","","6","P n a 21","P 2c -2n","33","","","","- C16 H12 Cl2 Cu N4 S2 -","- C16 H12 Cl2 Cu N4 S2 -","- C64 H48 Cl8 Cu4 N16 S8 -","4","1","","Czerwińska, Katarzyna Anna; Machura, Barbara; Kula, Sławomir; Krompiec, Stanislaw; Erfurt, Karol; Rodrigues, Catarina; Fernandes, Alexandra; Shul'pina, Lidia S.; Ikonnikov, Nikolay S.; Shul'pin, Georgiy B.","Copper(II) complexes of functionalized 2,2′:6′,2′′-terpyridines and 2,6-di(thiazol-2-yl)pyridine. Structure, spectroscopy, cytotoxicity and catalytic activity","Dalton Trans.","2017","","","","","10.1039/C7DT01244F","","","0.71073","MoKα","","0.0382","0.0316","","","0.0683","0.0715","","","","","","1.038","","","","has coordinates","198156","2020-10-21","18:00:00",""
"7043444","7.8472","0.0004","10.354","0.0006","11.2776","0.0007","116.387","0.006","95.253","0.005","90.856","0.004","815.8","0.09","295","2","295","2","","","","","","","","7","P -1","-P 1","2","","","","- C15 H9 Cl2 Cu N3 O S2 -","- C15 H9 Cl2 Cu N3 O S2 -","- C30 H18 Cl4 Cu2 N6 O2 S4 -","2","1","","Czerwińska, Katarzyna Anna; Machura, Barbara; Kula, Sławomir; Krompiec, Stanislaw; Erfurt, Karol; Rodrigues, Catarina; Fernandes, Alexandra; Shul'pina, Lidia S.; Ikonnikov, Nikolay S.; Shul'pin, Georgiy B.","Copper(II) complexes of functionalized 2,2′:6′,2′′-terpyridines and 2,6-di(thiazol-2-yl)pyridine. Structure, spectroscopy, cytotoxicity and catalytic activity","Dalton Trans.","2017","","","","","10.1039/C7DT01244F","","","0.71073","MoKα","","0.0513","0.0333","","","0.068","0.0705","","","","","","1.039","","","","has coordinates","198156","2020-10-21","18:00:00",""
"7043445","7.8185","0.0004","11.096","0.0007","20.4983","0.0012","90","","95.626","0.005","90","","1769.74","0.18","295","2","295","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C19 H13 Cl2 Cu N3 S -","- C19 H13 Cl2 Cu N3 S -","- C76 H52 Cl8 Cu4 N12 S4 -","4","1","","Czerwińska, Katarzyna Anna; Machura, Barbara; Kula, Sławomir; Krompiec, Stanislaw; Erfurt, Karol; Rodrigues, Catarina; Fernandes, Alexandra; Shul'pina, Lidia S.; Ikonnikov, Nikolay S.; Shul'pin, Georgiy B.","Copper(II) complexes of functionalized 2,2′:6′,2′′-terpyridines and 2,6-di(thiazol-2-yl)pyridine. Structure, spectroscopy, cytotoxicity and catalytic activity","Dalton Trans.","2017","","","","","10.1039/C7DT01244F","","","0.71073","MoKα","","0.0715","0.0538","","","0.1323","0.1415","","","","","","1.04","","","","has coordinates","198156","2020-10-21","18:00:00",""
"7043446","9.3952","0.0003","12.8556","0.0004","16.9843","0.0006","72.58","0.003","81.358","0.003","73.642","0.003","1873.19","0.11","295","2","295","2","","","","","","","","5","P -1","-P 1","2","","","","- C20 H16 Cl2 Cu N4 -","- C20 H16 Cl2 Cu N4 -","- C80 H64 Cl8 Cu4 N16 -","4","2","","Czerwińska, Katarzyna Anna; Machura, Barbara; Kula, Sławomir; Krompiec, Stanislaw; Erfurt, Karol; Rodrigues, Catarina; Fernandes, Alexandra; Shul'pina, Lidia S.; Ikonnikov, Nikolay S.; Shul'pin, Georgiy B.","Copper(II) complexes of functionalized 2,2′:6′,2′′-terpyridines and 2,6-di(thiazol-2-yl)pyridine. Structure, spectroscopy, cytotoxicity and catalytic activity","Dalton Trans.","2017","","","","","10.1039/C7DT01244F","","","0.71073","MoKα","","0.0515","0.0354","","","0.0838","0.09","","","","","","1.034","","","","has coordinates","198156","2020-10-21","18:00:00",""
"7043447","7.833","0.0004","10.9863","0.0008","11.2152","0.0008","118.351","0.007","92.578","0.005","91.767","0.006","847.01","0.11","295","2","295","2","","","","","","","","6","P -1","-P 1","2","","","","- C15 H9 Cl2 Cu N3 S3 -","- C15 H9 Cl2 Cu N3 S3 -","- C30 H18 Cl4 Cu2 N6 S6 -","2","1","","Czerwińska, Katarzyna Anna; Machura, Barbara; Kula, Sławomir; Krompiec, Stanislaw; Erfurt, Karol; Rodrigues, Catarina; Fernandes, Alexandra; Shul'pina, Lidia S.; Ikonnikov, Nikolay S.; Shul'pin, Georgiy B.","Copper(II) complexes of functionalized 2,2′:6′,2′′-terpyridines and 2,6-di(thiazol-2-yl)pyridine. Structure, spectroscopy, cytotoxicity and catalytic activity","Dalton Trans.","2017","","","","","10.1039/C7DT01244F","","","0.71073","MoKα","","0.0513","0.0359","","","0.0812","0.0878","","","","","","1.025","","","","has coordinates","198156","2020-10-21","18:00:00",""
"7043448","11.258","0.0004","11.392","0.0004","15.8305","0.0005","90","","101.048","0.003","90","","1992.65","0.12","295","2","295","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C19 H10 Cl N4 O3 Re S2 -","- C19 H10 Cl N4 O3 Re S2 -","- C76 H40 Cl4 N16 O12 Re4 S8 -","4","1","","Machura, Barbara; Klemens, Tomasz; Czerwińska, Katarzyna Anna; Szłapa-Kula, Agata; Kula, Sławomir; Switlicka, Anna; Kotowicz, Sonia; Siwy, Mariola; Bednarczyk, Katarzyna; Krompiec, Stanislaw; Smolarek, Karolina; Mackowski, Sebastian; Danikiewicz, Witold; Schab-Balcerzak, Ewa","Synthesis, spectroscopic, electrochemical and computational studies of rhenium(I) tricarbonyl complexes based on bidentate-coordinated 2,6-di(thiazol-2-yl)pyridine derivatives","Dalton Trans.","2017","","","","","10.1039/C7DT01948C","","","0.71073","MoKα","","0.034","0.0268","","","0.0704","0.0726","","","","","","1.194","","","","has coordinates","198186","2020-10-21","18:00:00",""
"7043449","11.6598","0.0003","16.1704","0.0006","20.9566","0.0006","90","","90","","90","","3951.2","0.2","295","2","295","2","","","","","","","","7","P b c a","-P 2ac 2ab","61","","","","- C18 H9 Cl N3 O3 Re S3 -","- C18 H9 Cl N3 O3 Re S3 -","- C144 H72 Cl8 N24 O24 Re8 S24 -","8","1","","Machura, Barbara; Klemens, Tomasz; Czerwińska, Katarzyna Anna; Szłapa-Kula, Agata; Kula, Sławomir; Switlicka, Anna; Kotowicz, Sonia; Siwy, Mariola; Bednarczyk, Katarzyna; Krompiec, Stanislaw; Smolarek, Karolina; Mackowski, Sebastian; Danikiewicz, Witold; Schab-Balcerzak, Ewa","Synthesis, spectroscopic, electrochemical and computational studies of rhenium(I) tricarbonyl complexes based on bidentate-coordinated 2,6-di(thiazol-2-yl)pyridine derivatives","Dalton Trans.","2017","","","","","10.1039/C7DT01948C","","","0.71073","MoKα","","0.0449","0.0282","","","0.0577","0.0621","","","","","","1.026","","","","has coordinates","198186","2020-10-21","18:00:00",""
"7043450","11.1652","0.0011","15.9975","0.0012","12.8167","0.0012","90","","109.094","0.011","90","","2163.3","0.4","295","2","295","2","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C20 H11 Cl N3 O4 Re S2 -","- C20 H11 Cl N3 O4 Re S2 -","- C80 H44 Cl4 N12 O16 Re4 S8 -","4","1","","Machura, Barbara; Klemens, Tomasz; Czerwińska, Katarzyna Anna; Szłapa-Kula, Agata; Kula, Sławomir; Switlicka, Anna; Kotowicz, Sonia; Siwy, Mariola; Bednarczyk, Katarzyna; Krompiec, Stanislaw; Smolarek, Karolina; Mackowski, Sebastian; Danikiewicz, Witold; Schab-Balcerzak, Ewa","Synthesis, spectroscopic, electrochemical and computational studies of rhenium(I) tricarbonyl complexes based on bidentate-coordinated 2,6-di(thiazol-2-yl)pyridine derivatives","Dalton Trans.","2017","","","","","10.1039/C7DT01948C","","","0.71073","MoKα","","0.0538","0.0408","","","0.0982","0.105","","","","","","1.03","","","","has coordinates","198186","2020-10-21","18:00:00",""
"7043451","13.6914","0.0006","14.0788","0.0008","15.8901","0.0006","90","","107.775","0.004","90","","2916.7","0.2","295","2","295","2","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C28 H20 Cl N4 O4 Re S2 -","- C28 H20 Cl N4 O4 Re S2 -","- C112 H80 Cl4 N16 O16 Re4 S8 -","4","1","","Machura, Barbara; Klemens, Tomasz; Czerwińska, Katarzyna Anna; Szłapa-Kula, Agata; Kula, Sławomir; Switlicka, Anna; Kotowicz, Sonia; Siwy, Mariola; Bednarczyk, Katarzyna; Krompiec, Stanislaw; Smolarek, Karolina; Mackowski, Sebastian; Danikiewicz, Witold; Schab-Balcerzak, Ewa","Synthesis, spectroscopic, electrochemical and computational studies of rhenium(I) tricarbonyl complexes based on bidentate-coordinated 2,6-di(thiazol-2-yl)pyridine derivatives","Dalton Trans.","2017","","","","","10.1039/C7DT01948C","","","0.71073","MoKα","","0.0674","0.0471","","","0.1139","0.1257","","","","","","1.041","","","","has coordinates","198186","2020-10-21","18:00:00",""
"7043452","10.3501","0.0003","11.0261","0.0005","18.3976","0.0007","90","","93.019","0.003","90","","2096.64","0.14","295","2","295","2","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C19 H12 Cl N4 O3 Re S2 -","- C19 H12 Cl N4 O3 Re S2 -","- C76 H48 Cl4 N16 O12 Re4 S8 -","4","1","","Machura, Barbara; Klemens, Tomasz; Czerwińska, Katarzyna Anna; Szłapa-Kula, Agata; Kula, Sławomir; Switlicka, Anna; Kotowicz, Sonia; Siwy, Mariola; Bednarczyk, Katarzyna; Krompiec, Stanislaw; Smolarek, Karolina; Mackowski, Sebastian; Danikiewicz, Witold; Schab-Balcerzak, Ewa","Synthesis, spectroscopic, electrochemical and computational studies of rhenium(I) tricarbonyl complexes based on bidentate-coordinated 2,6-di(thiazol-2-yl)pyridine derivatives","Dalton Trans.","2017","","","","","10.1039/C7DT01948C","","","0.71073","MoKα","","0.0465","0.0358","","","0.0763","0.0814","","","","","","0.999","","","","has coordinates","198186","2020-10-21","18:00:00",""
"7043453","16.41","0.0005","10.5443","0.0003","28.294","0.0009","90","","92.541","0.003","90","","4891","0.3","295","2","295","2","","","","","","","","7","I 1 2/a 1","-I 2ya","15","","","","- C22 H11 Cl N3 O3 Re S4 -","- C22 H11 Cl N3 O3 Re S4 -","- C176 H88 Cl8 N24 O24 Re8 S32 -","8","1","","Machura, Barbara; Klemens, Tomasz; Czerwińska, Katarzyna Anna; Szłapa-Kula, Agata; Kula, Sławomir; Switlicka, Anna; Kotowicz, Sonia; Siwy, Mariola; Bednarczyk, Katarzyna; Krompiec, Stanislaw; Smolarek, Karolina; Mackowski, Sebastian; Danikiewicz, Witold; Schab-Balcerzak, Ewa","Synthesis, spectroscopic, electrochemical and computational studies of rhenium(I) tricarbonyl complexes based on bidentate-coordinated 2,6-di(thiazol-2-yl)pyridine derivatives","Dalton Trans.","2017","","","","","10.1039/C7DT01948C","","","0.71073","MoKα","","0.0278","0.022","","","0.0481","0.0506","","","","","","1.044","","","","has coordinates","198186","2020-10-21","18:00:00",""
"7043454","11.24","0.002","15.986","0.003","7.7734","0.0016","90","","97.15","0.03","90","","1385.9","0.5","293","2","293","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C5 H14 Br3 O P Pb -","- C5 H14 Br3 O P Pb -","- C20 H56 Br12 O4 P4 Pb4 -","4","1","","Geng, Fu-Juan; Wu, De-Hong; Zhou, Lin; Shi, Ping-Ping; Li, Peng-fei; Gao, Jixing; Zheng, Xuan; Fu, Da-Wei; Ye, Qiong","Photoluminescent-dielectric duple switch in a perovskite-type high-temperature phase transition compound: [(CH3)3PCH2OCH3][PbBr3]","Dalton Trans.","2017","","","","","10.1039/C7DT01780D","","","0.71073","MoKα","","0.0894","0.0526","","","0.0906","0.1002","","","","","","1.097","","","","has coordinates","198188","2020-10-21","18:00:00",""
"7043455","10.27","0.03","17.79","0.05","7.95","0.02","90","","90.034","0.0012","90","","1452","7","418","2","418","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C5 Br3 O P Pb -","- C5 Br3 O P Pb -","- C20 Br12 O4 P4 Pb4 -","4","0.5","","Geng, Fu-Juan; Wu, De-Hong; Zhou, Lin; Shi, Ping-Ping; Li, Peng-fei; Gao, Jixing; Zheng, Xuan; Fu, Da-Wei; Ye, Qiong","Photoluminescent-dielectric duple switch in a perovskite-type high-temperature phase transition compound: [(CH3)3PCH2OCH3][PbBr3]","Dalton Trans.","2017","","","","","10.1039/C7DT01780D","","","0.71073","MoKα","","0.3454","0.2261","","","0.5483","0.5998","","","","","","1.713","","","","has coordinates","198188","2020-10-21","18:00:00",""
"7043456","22.4096","0.0008","12.5242","0.0004","16.1728","0.0007","90","","106.738","0.004","90","","4346.8","0.3","150","2","150","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C40 H46 Cd3 N8 O14 -","- C40 H46 Cd3 N8 O14 -","- C160 H184 Cd12 N32 O56 -","4","0.5","","Naskar, Barnali; Modak, Ritwik; Maiti, Dilip K.; Drew, Michael G.B; Bauza, Antonio; Frontera, Antonio; Das Mukhopadhyay, Chitrangada; Mishra, Snehasis; Das Saha, Krishna; Goswami, Sanchita","A Schiff base platform: structures, sensing of Zn(II), PPi in aqueous medium and anticancer activity","Dalton Trans.","2017","","","","","10.1039/C7DT01932G","","","0.71073","MoKα","","0.0547","0.0454","","","0.0953","0.0993","","","","","","1.076","","","","has coordinates","198189","2020-10-21","18:00:00",""
"7043457","17.5829","0.0008","17.5829","0.0008","27.888","0.003","90","","90","","90","","8621.8","1.1","150","2","150","2","","","","","","","","6","I 41/a c d","-I 4bd 2c","142","","","","- C40 H48 I2 N6 O8 Zn2 -","- C40 H48 I2 N6 O8 Zn2 -","- C320 H384 I16 N48 O64 Zn16 -","8","","","Naskar, Barnali; Modak, Ritwik; Maiti, Dilip K.; Drew, Michael G.B; Bauza, Antonio; Frontera, Antonio; Das Mukhopadhyay, Chitrangada; Mishra, Snehasis; Das Saha, Krishna; Goswami, Sanchita","A Schiff base platform: structures, sensing of Zn(II), PPi in aqueous medium and anticancer activity","Dalton Trans.","2017","","","","","10.1039/C7DT01932G","","","0.71073","MoKα","","0.0896","0.0514","","","0.0905","0.1008","","","","","","1.059","","","","has coordinates","198189","2020-10-21","18:00:00",""
"7043458","11.2108","0.0008","28.827","0.002","14.9281","0.0016","90","","109.109","0.01","90","","4558.5","0.7","150","2","150","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C40.5 H50 N8 O14.5 Zn2 -","- C40.5 H50 N8 O14.5 Zn2 -","- C162 H200 N32 O58 Zn8 -","4","1","","Naskar, Barnali; Modak, Ritwik; Maiti, Dilip K.; Drew, Michael G.B; Bauza, Antonio; Frontera, Antonio; Das Mukhopadhyay, Chitrangada; Mishra, Snehasis; Das Saha, Krishna; Goswami, Sanchita","A Schiff base platform: structures, sensing of Zn(II), PPi in aqueous medium and anticancer activity","Dalton Trans.","2017","","","","","10.1039/C7DT01932G","","","0.71073","MoKα","","0.138","0.0736","","","0.1486","0.1726","","","","","","1.012","","","","has coordinates","198189","2020-10-21","18:00:00",""
"7043459","17.3167","0.0007","17.3167","0.0007","27.785","0.0018","90","","90","","90","","8331.8","0.7","150","2","150","2","","","","","","","","6","I 41/a c d","-I 4bd 2c","142","","","","- C40 H48 Br2 N6 O8 Zn2 -","- C40 H48 Br2 N6 O8 Zn2 -","- C320 H384 Br16 N48 O64 Zn16 -","8","","","Naskar, Barnali; Modak, Ritwik; Maiti, Dilip K.; Drew, Michael G.B; Bauza, Antonio; Frontera, Antonio; Das Mukhopadhyay, Chitrangada; Mishra, Snehasis; Das Saha, Krishna; Goswami, Sanchita","A Schiff base platform: structures, sensing of Zn(II), PPi in aqueous medium and anticancer activity","Dalton Trans.","2017","","","","","10.1039/C7DT01932G","","","0.71073","MoKα","","0.1138","0.0665","","","0.0973","0.1079","","","","","","1.139","","","","has coordinates","198189","2020-10-21","18:00:00",""
"7043460","14.0974","0.0005","8.6016","0.0003","23.255","0.0009","90","","90","","90","","2819.91","0.18","200","2","200","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C32 H34 N2 O2 Zn2 -","- C32 H34 N2 O2 Zn2 -","- C128 H136 N8 O8 Zn8 -","4","0.5","","Bai, Jianliang; Xiao, Xia; Zhang, Yue; Chao, Jianbin; Chen, Xia","β-Pyridylenolate zinc catalysts for the ring-opening homo- and copolymerization of ε-caprolactone and lactides","Dalton Trans.","2017","","","","","10.1039/C7DT01877K","","","0.71073","MoKα","","0.0363","0.027","","","0.0639","0.0678","","","","","","1.048","","","","has coordinates","198190","2020-10-21","18:00:00",""
"7043461","8.3871","0.0017","18.253","0.004","10.316","0.002","90","","101.63","0.03","90","","1546.9","0.6","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C34 H38 N2 O2 Zn2 -","- C34 H38 N2 O2 Zn2 -","- C68 H76 N4 O4 Zn4 -","2","0.5","","Bai, Jianliang; Xiao, Xia; Zhang, Yue; Chao, Jianbin; Chen, Xia","β-Pyridylenolate zinc catalysts for the ring-opening homo- and copolymerization of ε-caprolactone and lactides","Dalton Trans.","2017","","","","","10.1039/C7DT01877K","","","0.71073","MoKα","","0.0633","0.0582","","","0.2623","0.2703","","","","","","1.001","","","","has coordinates","198190","2020-10-21","18:00:00",""
"7043462","26.5338","0.001","8.6635","0.0003","16.4956","0.0006","90","","90.574","0.001","90","","3791.7","0.2","273","2","273","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C34 H32 F6 N2 O2 Zn2 -","- C34 H32 F6 N2 O2 Zn2 -","- C136 H128 F24 N8 O8 Zn8 -","4","0.5","","Bai, Jianliang; Xiao, Xia; Zhang, Yue; Chao, Jianbin; Chen, Xia","β-Pyridylenolate zinc catalysts for the ring-opening homo- and copolymerization of ε-caprolactone and lactides","Dalton Trans.","2017","","","","","10.1039/C7DT01877K","","","0.71073","MoKα","","0.033","0.0289","","","0.1061","0.1101","","","","","","1.056","","","","has coordinates","198190","2020-10-21","18:00:00",""
"7043463","14.3802","0.0007","13.2221","0.0007","15.026","0.0008","90","","108.765","0.002","90","","2705.1","0.2","200","2","200","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C26 H38 N2 O2 Zn2 -","- C26 H38 N2 O2 Zn2 -","- C104 H152 N8 O8 Zn8 -","4","1","","Bai, Jianliang; Xiao, Xia; Zhang, Yue; Chao, Jianbin; Chen, Xia","β-Pyridylenolate zinc catalysts for the ring-opening homo- and copolymerization of ε-caprolactone and lactides","Dalton Trans.","2017","","","","","10.1039/C7DT01877K","","","0.71073","MoKα","","0.0397","0.0304","","","0.0742","0.0801","","","","","","1.013","","","","has coordinates","198190","2020-10-21","18:00:00",""
"7043464","8.3149","0.0005","9.3219","0.0006","10.6244","0.0007","82.944","0.002","69.632","0.002","79.457","0.002","757.42","0.08","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C34 H38 N2 O2 Zn2 -","- C34 H38 N2 O2 Zn2 -","- C34 H38 N2 O2 Zn2 -","1","0.5","","Bai, Jianliang; Xiao, Xia; Zhang, Yue; Chao, Jianbin; Chen, Xia","β-Pyridylenolate zinc catalysts for the ring-opening homo- and copolymerization of ε-caprolactone and lactides","Dalton Trans.","2017","","","","","10.1039/C7DT01877K","","","0.71073","MoKα","","0.0302","0.0256","","","0.0652","0.0676","","","","","","1.062","","","","has coordinates","198190","2020-10-21","18:00:00",""
"7043465","8.6781","0.0017","8.5619","0.0017","18.781","0.004","90","","91.38","0.03","90","","1395","0.5","273","","273","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C32 H34 N2 O2 Zn2 -","- C32 H34 N2 O2 Zn2 -","- C64 H68 N4 O4 Zn4 -","2","0.5","","Bai, Jianliang; Xiao, Xia; Zhang, Yue; Chao, Jianbin; Chen, Xia","β-Pyridylenolate zinc catalysts for the ring-opening homo- and copolymerization of ε-caprolactone and lactides","Dalton Trans.","2017","","","","","10.1039/C7DT01877K","","","0.71073","MoKα","","0.0436","0.0374","","","0.1288","0.1382","","","","","","1.026","","","","has coordinates","198190","2020-10-21","18:00:00",""
"7043466","8.6494","0.001","9.7141","0.0012","10.1944","0.0013","109.661","0.004","104.64","0.004","108.913","0.003","697.3","0.15","200","2","200","2","","","","","","","","5","P -1","-P 1","2","","","","- C32 H34 N2 O2 Zn2 -","- C32 H34 N2 O2 Zn2 -","- C32 H34 N2 O2 Zn2 -","1","0.5","","Bai, Jianliang; Xiao, Xia; Zhang, Yue; Chao, Jianbin; Chen, Xia","β-Pyridylenolate zinc catalysts for the ring-opening homo- and copolymerization of ε-caprolactone and lactides","Dalton Trans.","2017","","","","","10.1039/C7DT01877K","","","0.71073","MoKα","","0.034","0.0278","","","0.0633","0.0665","","","","","","1.047","","","","has coordinates","198190","2020-10-21","18:00:00",""
"7043467","8.4891","0.0009","9.3386","0.0011","10.7644","0.0013","77.632","0.003","73.281","0.004","87.149","0.003","798.26","0.16","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C34 H38 N2 O4 Zn2 -","- C34 H38 N2 O4 Zn2 -","- C34 H38 N2 O4 Zn2 -","1","0.5","","Bai, Jianliang; Xiao, Xia; Zhang, Yue; Chao, Jianbin; Chen, Xia","β-Pyridylenolate zinc catalysts for the ring-opening homo- and copolymerization of ε-caprolactone and lactides","Dalton Trans.","2017","","","","","10.1039/C7DT01877K","","","0.71073","MoKα","","0.0975","0.0539","","","0.1172","0.1342","","","","","","1.022","","","","has coordinates","198190","2020-10-21","18:00:00",""
"7043468","10.0405","0.0006","11.068","0.0007","13.8622","0.0008","90","","96.454","0.002","90","","1530.72","0.16","200","2","200","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C32 H28 F6 N2 O2 Zn2 -","- C32 H28 F6 N2 O2 Zn2 -","- C64 H56 F12 N4 O4 Zn4 -","2","0.5","","Bai, Jianliang; Xiao, Xia; Zhang, Yue; Chao, Jianbin; Chen, Xia","β-Pyridylenolate zinc catalysts for the ring-opening homo- and copolymerization of ε-caprolactone and lactides","Dalton Trans.","2017","","","","","10.1039/C7DT01877K","","","0.71073","MoKα","","0.0485","0.0391","","","0.1","0.105","","","","","","1.027","","","","has coordinates","198190","2020-10-21","18:00:00",""
"7043469","8.6075","0.0005","11.6047","0.0006","13.8778","0.0008","93.222","0.002","96.688","0.002","105.491","0.001","1321.24","0.13","273","2","273","2","","","","","","","","5","P -1","-P 1","2","","","","- C30 H30 N2 O2 Zn2 -","- C30 H30 N2 O2 Zn2 -","- C60 H60 N4 O4 Zn4 -","2","1","","Bai, Jianliang; Xiao, Xia; Zhang, Yue; Chao, Jianbin; Chen, Xia","β-Pyridylenolate zinc catalysts for the ring-opening homo- and copolymerization of ε-caprolactone and lactides","Dalton Trans.","2017","","","","","10.1039/C7DT01877K","","","0.71073","MoKα","","0.037","0.029","","","0.0708","0.0744","","","","","","1.06","","","","has coordinates","198190","2020-10-21","18:00:00",""
"7043470","9.2232","0.0004","14.8231","0.0006","13.6125","0.0005","90","","96.14","0.004","90","","1850.38","0.13","180.15","","180.15","","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C17 H17 Cl3 Cr N5 -","- C17 H17 Cl3 Cr N5 -","- C68 H68 Cl12 Cr4 N20 -","4","1","","Zare, Davood; Doistau, Benjamin; Nozary, Homayoun; Besnard, Céline; Guénée, Laure; Suffren, Yan; Pelé, Anne-Laure; Hauser, Andreas; Piguet, Claude","CrIII as an alternative to RuII in metallo-supramolecular chemistry","Dalton Trans.","2017","","","","","10.1039/C7DT01747B","","x-ray","1.54184","CuKα","","0.041","0.036","","","0.097","0.1018","","","","","","1.064","","","","has coordinates","198191","2020-10-21","18:00:00",""
"7043471","8.50371","0.00009","21.3589","0.0003","26.1354","0.0003","90","","93.6609","0.001","90","","4737.28","0.1","180","2","180","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C42 H38 Cr F18 N10 P3 -","- C42 H38 Cr F18 N10 P3 -","- C168 H152 Cr4 F72 N40 P12 -","4","1","","Zare, Davood; Doistau, Benjamin; Nozary, Homayoun; Besnard, Céline; Guénée, Laure; Suffren, Yan; Pelé, Anne-Laure; Hauser, Andreas; Piguet, Claude","CrIII as an alternative to RuII in metallo-supramolecular chemistry","Dalton Trans.","2017","","","","","10.1039/C7DT01747B","","","1.54184","CuKα","","0.0582","0.0537","","","0.146","0.1506","","","","","","1.044","","","","has coordinates","198191","2020-10-21","18:00:00",""
"7043472","22.1556","0.0004","32.7297","0.0004","47.3405","0.0009","90","","90","","90","","34328.8","1","180","2","180","2","","","","","","","","6","P b c a","-P 2ac 2ab","61","","","","- C35 H29.5 Cr F18 N8.5 P3 -","- C35 H29.5 Cr F18 N8.5 P3 -","- C1120 H944 Cr32 F576 N272 P96 -","32","4","","Zare, Davood; Doistau, Benjamin; Nozary, Homayoun; Besnard, Céline; Guénée, Laure; Suffren, Yan; Pelé, Anne-Laure; Hauser, Andreas; Piguet, Claude","CrIII as an alternative to RuII in metallo-supramolecular chemistry","Dalton Trans.","2017","","","","","10.1039/C7DT01747B","","","1.54184","CuKα","","0.0963","0.0709","","","0.1972","0.2125","","","","","","1.347","","","","has coordinates,has disorder","198191","2020-10-21","18:00:00",""
"7043473","8.7153","0.0002","21.0542","0.0006","17.6197","0.0004","90","","92.109","0.002","90","","3230.91","0.14","180","2","180","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C30 H30 Cl3 Cr N8 O2 -","- C30 H30 Cl3 Cr N8 O2 -","- C120 H120 Cl12 Cr4 N32 O8 -","4","0.5","","Zare, Davood; Doistau, Benjamin; Nozary, Homayoun; Besnard, Céline; Guénée, Laure; Suffren, Yan; Pelé, Anne-Laure; Hauser, Andreas; Piguet, Claude","CrIII as an alternative to RuII in metallo-supramolecular chemistry","Dalton Trans.","2017","","","","","10.1039/C7DT01747B","","","1.54184","CuKα","","0.035","0.0326","","","0.0865","0.0886","","","","","","1.064","","","","has coordinates","198191","2020-10-21","18:00:00",""
"7043474","10.18638","0.00016","12.5709","0.0002","21.0644","0.0003","104.288","0.0014","90.8897","0.0012","104.266","0.0014","2524.92","0.07","180","0.14","180","0.14","","","","","","","","6","P -1","-P 1","2","","","","- C82 H72 Cr2 F36 N22 P6 -","- C82 H72 Cr2 F36 N22 P6 -","- C82 H72 Cr2 F36 N22 P6 -","1","0.5","","Zare, Davood; Doistau, Benjamin; Nozary, Homayoun; Besnard, Céline; Guénée, Laure; Suffren, Yan; Pelé, Anne-Laure; Hauser, Andreas; Piguet, Claude","CrIII as an alternative to RuII in metallo-supramolecular chemistry","Dalton Trans.","2017","","","","","10.1039/C7DT01747B","","x-ray","1.54184","CuKα","","0.059","0.0518","","","0.146","0.1535","","","","","","1.074","","","","has coordinates,has disorder","198191","2020-10-21","18:00:00",""
"7043475","12.8591","0.0002","14.0203","0.0002","22.3536","0.0004","90","","90","","90","","4030.1","0.11","180","2","180","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C34 H28 F18 Ga N8 P3 -","- C34 H28 F18 Ga N8 P3 -","- C136 H112 F72 Ga4 N32 P12 -","4","1","","Zare, Davood; Doistau, Benjamin; Nozary, Homayoun; Besnard, Céline; Guénée, Laure; Suffren, Yan; Pelé, Anne-Laure; Hauser, Andreas; Piguet, Claude","CrIII as an alternative to RuII in metallo-supramolecular chemistry","Dalton Trans.","2017","","","","","10.1039/C7DT01747B","","","1.54184","CuKα","","0.0419","0.0413","","","0.109","0.1098","","","","","","1.047","","","","has coordinates,has disorder","198191","2020-10-21","18:00:00",""
"7043476","11.6319","0.0003","20.7157","0.0005","22.6001","0.0005","65.495","0.002","82.9117","0.0019","81.9267","0.0019","4893.3","0.2","180","1","180","1","","","","","","","","7","P -1","-P 1","2","","","","- C80 H76 Cr2 F36 N20 O P6 -","- C80 H76 Cr2 F36 N20 O P6 -","- C160 H152 Cr4 F72 N40 O2 P12 -","2","1","","Zare, Davood; Doistau, Benjamin; Nozary, Homayoun; Besnard, Céline; Guénée, Laure; Suffren, Yan; Pelé, Anne-Laure; Hauser, Andreas; Piguet, Claude","CrIII as an alternative to RuII in metallo-supramolecular chemistry","Dalton Trans.","2017","","","","","10.1039/C7DT01747B","","x-ray","1.54184","CuKα","","0.0666","0.0575","","","0.1547","0.1636","","","","","","1.051","","","","has coordinates,has disorder","198191","2020-10-21","18:00:00",""
"7043477","8.32377","0.00013","17.0177","0.0003","19.4862","0.0003","90","","96.8929","0.0016","90","","2740.3","0.08","180","2","180","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C26 H28 Cl3 Cr N6 O -","- C26 H28 Cl3 Cr N6 O -","- C104 H112 Cl12 Cr4 N24 O4 -","4","1","","Zare, Davood; Doistau, Benjamin; Nozary, Homayoun; Besnard, Céline; Guénée, Laure; Suffren, Yan; Pelé, Anne-Laure; Hauser, Andreas; Piguet, Claude","CrIII as an alternative to RuII in metallo-supramolecular chemistry","Dalton Trans.","2017","","","","","10.1039/C7DT01747B","","","1.54184","CuKα","","0.0383","0.0333","","","0.0904","0.0954","","","","","","1.036","","","","has coordinates","198191","2020-10-21","18:00:00",""
"7043478","15.883","0.0003","20.6312","0.0004","17.6293","0.0004","90","","105.672","0.002","90","","5562.1","0.2","180","2","180","2","","","","","","","","6","I 1 2/a 1","-I 2ya","15","","","","- C25 H23 F6 N5 O6 S2 -","- C24.9998 H23 F5.9994 N5 O5.9994 S1.9998 -","- C199.998 H184 F47.9952 N40 O47.9952 S15.9984 -","8","1","","Zare, Davood; Doistau, Benjamin; Nozary, Homayoun; Besnard, Céline; Guénée, Laure; Suffren, Yan; Pelé, Anne-Laure; Hauser, Andreas; Piguet, Claude","CrIII as an alternative to RuII in metallo-supramolecular chemistry","Dalton Trans.","2017","","","","","10.1039/C7DT01747B","","","1.54184","CuKα","","0.0794","0.071","","","0.1928","0.2015","","","","","","1.058","","","","has coordinates,has disorder","198191","2020-10-21","18:00:00",""
"7043479","11.8436","0.0002","24.1564","0.0005","24.5555","0.0005","90","","99.9231","0.0019","90","","6920.2","0.2","180","2","180","2","","","","","","","","6","P 1 n 1","P -2yac","7","","","","- C114 H117 Cr2 F36 N31 P6 -","- C114 H117 Cr2 F36 N31 P6 -","- C228 H234 Cr4 F72 N62 P12 -","2","1","","Zare, Davood; Doistau, Benjamin; Nozary, Homayoun; Besnard, Céline; Guénée, Laure; Suffren, Yan; Pelé, Anne-Laure; Hauser, Andreas; Piguet, Claude","CrIII as an alternative to RuII in metallo-supramolecular chemistry","Dalton Trans.","2017","","","","","10.1039/C7DT01747B","","","1.54184","CuKα","","0.0792","0.0631","","","0.1733","0.1914","","","","","","1.019","","","","has coordinates,has disorder","198191","2020-10-21","18:00:00",""
"7043480","12.7176","0.0005","43.7623","0.0013","9.391","0.0003","90","","102.712","0.004","90","","5098.5","0.3","180","2","180","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C45 H36 Cr F18 N12 P3 -","- C45 H36 Cr F18 N12 P3 -","- C180 H144 Cr4 F72 N48 P12 -","4","1","","Zare, Davood; Doistau, Benjamin; Nozary, Homayoun; Besnard, Céline; Guénée, Laure; Suffren, Yan; Pelé, Anne-Laure; Hauser, Andreas; Piguet, Claude","CrIII as an alternative to RuII in metallo-supramolecular chemistry","Dalton Trans.","2017","","","","","10.1039/C7DT01747B","","","1.54184","CuKα","","0.0727","0.0567","","","0.1398","0.1506","","","","","","1.025","","","","has coordinates","198191","2020-10-21","18:00:00",""
"7043481","13.61144","0.00009","13.61144","0.00009","24.0699","0.0003","90","","90","","90","","4459.46","0.07","179.9","0.3","179.9","0.3","","","","","","","","5","P 41 21 2","P 4abw 2nw","92","","","","- C30 H20 Cl6 Cr2 N6 -","- C30 H20 Cl6 Cr2 N6 -","- C120 H80 Cl24 Cr8 N24 -","4","0.5","","Zare, Davood; Doistau, Benjamin; Nozary, Homayoun; Besnard, Céline; Guénée, Laure; Suffren, Yan; Pelé, Anne-Laure; Hauser, Andreas; Piguet, Claude","CrIII as an alternative to RuII in metallo-supramolecular chemistry","Dalton Trans.","2017","","","","","10.1039/C7DT01747B","","x-ray","1.5418","CuKα","","0.0358","0.0338","","","0.0902","0.0917","","","","","","1.06","","","","has coordinates","198191","2020-10-21","18:00:00",""
"7043482","25.011","0.0003","14.00514","0.00016","33.0269","0.0004","90","","98.5471","0.0011","90","","11440.3","0.2","180","2","180","2","","","","","","","","7","C 1 2/c 1","-C 2yc","15","","","","- C53 H48 Cr F9 N12 O9 S3 -","- C51 H46.5 Cr F6 N11.5 O6 S2 -","- C408 H372 Cr8 F48 N92 O48 S16 -","8","1","","Zare, Davood; Doistau, Benjamin; Nozary, Homayoun; Besnard, Céline; Guénée, Laure; Suffren, Yan; Pelé, Anne-Laure; Hauser, Andreas; Piguet, Claude","CrIII as an alternative to RuII in metallo-supramolecular chemistry","Dalton Trans.","2017","","","","","10.1039/C7DT01747B","","","1.54184","CuKα","","0.0529","0.049","","","0.1298","0.1333","","","","","","1.026","","","","has coordinates,has disorder","198191","2020-10-21","18:00:00",""
"7043483","9.6733","0.0004","15.2234","0.0006","16.499","0.0005","102.661","0.003","90.539","0.003","94.791","0.003","2361.33","0.16","180","2","180","2","","","","","","","","7","P -1","-P 1","2","","","","- C44 H30 Cr F9 N10 O9 S3 -","- C44 H30 Cr F9 N10 O9 S3 -","- C88 H60 Cr2 F18 N20 O18 S6 -","2","1","","Zare, Davood; Doistau, Benjamin; Nozary, Homayoun; Besnard, Céline; Guénée, Laure; Suffren, Yan; Pelé, Anne-Laure; Hauser, Andreas; Piguet, Claude","CrIII as an alternative to RuII in metallo-supramolecular chemistry","Dalton Trans.","2017","","","","","10.1039/C7DT01747B","","","1.54184","CuKα","","0.0845","0.0776","","","0.2203","0.2315","","","","","","1.049","","","","has coordinates,has disorder","198191","2020-10-21","18:00:00",""
"7043484","18.90091","0.00013","18.90091","0.00013","21.121","0.0002","90","","90","","120","","6534.47","0.09","180.1","0.3","180.1","0.3","","","","","","","","6","P 32","P 32","145","","","","- C39 H43 Cl6 Cr2 N9 O3 -","- C39 H43 Cl6 Cr2 N9 O3 -","- C234 H258 Cl36 Cr12 N54 O18 -","6","2","","Zare, Davood; Doistau, Benjamin; Nozary, Homayoun; Besnard, Céline; Guénée, Laure; Suffren, Yan; Pelé, Anne-Laure; Hauser, Andreas; Piguet, Claude","CrIII as an alternative to RuII in metallo-supramolecular chemistry","Dalton Trans.","2017","","","","","10.1039/C7DT01747B","","x-ray","1.5418","CuKα","","0.0501","0.0462","","","0.1114","0.114","","","","","","1.026","","","","has coordinates","198191","2020-10-21","18:00:00",""
"7043485","16.366","0.015","13.578","0.004","15.865","0.011","90","","104.34","0.03","90","","3416","4","200","2","200","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","Moris461 (Tapas)","","","- C38 H53 N3 Th -","- C38 H53 N3 Th -","- C152 H212 N12 Th4 -","4","1","","Eisen, Moris; Ghatak, Tapas; Drucker, Shani; Fridman, Natalia","Thorium Complexes Possessing Expanded Ring N-heterocyclic iminato Ligands: Synthesis and Applications","Dalton Trans.","2017","","","","","10.1039/C7DT02126G","","","0.71073","MoKα","","0.0606","0.0475","","","0.0722","0.0755","","","","","","1.211","","","","has coordinates","198192","2020-10-21","18:00:00",""
"7043486","35.983","0.005","9.933","0.003","22.307","0.003","90","","112.31","0.015","90","","7376","3","200","2","200","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","Moris508 (Tapas)","","","- C40 H55 N3 Th -","- C40 H55 N3 Th -","- C320 H440 N24 Th8 -","8","1","","Eisen, Moris; Ghatak, Tapas; Drucker, Shani; Fridman, Natalia","Thorium Complexes Possessing Expanded Ring N-heterocyclic iminato Ligands: Synthesis and Applications","Dalton Trans.","2017","","","","","10.1039/C7DT02126G","","","0.71073","MoKα","","0.0706","0.0507","","","0.116","0.1226","","","","","","1.114","","","","has coordinates","198192","2020-10-21","18:00:00",""
"7043487","9.28","0.004","9.292","0.004","10.039","0.004","95.99","0.09","100.975","0.013","98.546","0.015","832.5","0.6","293","2","293","2","","","","","","","","3","P -1","-P 1","2","Moris521 (Shani)","","","- C19 H23 N3 -","- C19 H23 N3 -","- C38 H46 N6 -","2","1","","Eisen, Moris; Ghatak, Tapas; Drucker, Shani; Fridman, Natalia","Thorium Complexes Possessing Expanded Ring N-heterocyclic iminato Ligands: Synthesis and Applications","Dalton Trans.","2017","","","","","10.1039/C7DT02126G","","","0.71073","MoKα","","0.079","0.0517","","","0.1267","0.1405","","","","","","1.03","","","","has coordinates","198192","2020-10-21","18:00:00",""
"7043488","6.8227","0.0005","6.8227","0.0005","5.6249","0.0005","90","","90","","120","","226.76","0.03","173","2","173","2","","","","","","","","5","P -3 m 1","-P 3 2""","164","","","","- Cl3 Cu3 H6 O6 Sm -","- Cl3 Cu3 H6 O6 Sm -","- Cl3 Cu3 H6 O6 Sm -","1","0.0833333","","Sun, Wei; Huang, Ya-Xi; Pan, Yuanming; Mi, Jin-Xiao","Strong spin frustration and negative magnetization in LnCu3(OH)6Cl3 (Ln = Nd and Sm) with triangular lattices: The effects of lanthanides","Dalton Trans.","2017","","","","","10.1039/C7DT01798G","","","0.71073","MoKα","","0.0138","0.0136","","","0.0352","0.0354","","","","","","1.053","","","","has coordinates","198193","2020-10-21","18:00:00",""
"7043489","6.7982","0.0004","6.7982","0.0004","5.6062","0.0003","90","","90","","120","","224.38","0.02","173","2","173","2","","","","","","","","5","P -3 m 1","-P 3 2""","164","","","","- Cl3 Cu3 Gd H6 O6 -","- Cl3 Cu3 Gd H6 O6 -","- Cl3 Cu3 Gd H6 O6 -","1","0.0833333","","Sun, Wei; Huang, Ya-Xi; Pan, Yuanming; Mi, Jin-Xiao","Strong spin frustration and negative magnetization in LnCu3(OH)6Cl3 (Ln = Nd and Sm) with triangular lattices: The effects of lanthanides","Dalton Trans.","2017","","","","","10.1039/C7DT01798G","","","0.71073","MoKα","","0.0091","0.0091","","","0.0255","0.0255","","","","","","1.049","","","","has coordinates","198194","2020-10-21","18:00:00",""
"7043490","6.8645","0.0007","6.8645","0.0007","5.6391","0.0012","90","","90","","120","","230.12","0.06","173","2","173","2","","","","","","","","5","P -3 m 1","-P 3 2""","164","","","","- Cl3 Cu3 H6 Nd O6 -","- Cl3 Cu3 H6 Nd O6 -","- Cl3 Cu3 H6 Nd O6 -","1","0.0833333","","Sun, Wei; Huang, Ya-Xi; Pan, Yuanming; Mi, Jin-Xiao","Strong spin frustration and negative magnetization in LnCu3(OH)6Cl3 (Ln = Nd and Sm) with triangular lattices: The effects of lanthanides","Dalton Trans.","2017","","","","","10.1039/C7DT01798G","","","0.71073","MoKα","","0.0109","0.0109","","","0.037","0.0371","","","","","","1.038","","","","has coordinates","198195","2020-10-21","18:00:00",""
"7043491","21.5029","0.0015","19.1115","0.0014","27.069","0.002","90","","90","","90","","11124.1","1.4","120","","120","","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C100 H124 Mg2 N4 O14 -","- C100 H124 Mg2 N4 O14 -","- C400 H496 Mg8 N16 O56 -","4","0.5","","Reiner, Benjamin R.; Foxman, Bruce M.; Wade, Casey R.","Electrochemical and Structural Investigation of the Interactions between Naphthalene Diimides and Metal Cations","Dalton Trans.","2017","","","","","10.1039/C7DT02067H","","","0.71073","MoKα","","0.1471","0.0892","","0.2899","0.2307","0.2899","","","","","","0.9786","","","","has coordinates,has disorder","198228","2020-10-21","18:00:00",""
"7043492","9.997","0.002","12.56","0.003","28.755","0.006","90","","90","","90","","3610.5","1.4","150","2","150","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C37 H58 Cl N2 O3 V -","- C37 H58 Cl N2 O3 V -","- C148 H232 Cl4 N8 O12 V4 -","4","1","","Barroso, Sonia; Coelho, Ana M.; Adão, Pedro; Calhorda, Maria Jose; Martins, Ana M.","Radical reactions of diamine bis(phenolate) vanadium(III) complexes. Solid state binding of O2 to form a vanadium(V) peroxo complex","Dalton Trans.","2017","","","","","10.1039/C7DT01699A","","x-ray","0.71073","MoKα","","0.1292","0.0546","","","0.0848","0.0978","","","","","","0.934","","","","has coordinates","198298","2020-10-21","18:00:00",""
"7043493","10.446","0.0004","22.852","0.0009","19.663","0.0007","90","","101.824","0.002","90","","4594.2","0.3","150","2","150","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C49 H79 N2 O4 V -","- C49 H79 N2 O4 V -","- C196 H316 N8 O16 V4 -","4","1","","Barroso, Sonia; Coelho, Ana M.; Adão, Pedro; Calhorda, Maria Jose; Martins, Ana M.","Radical reactions of diamine bis(phenolate) vanadium(III) complexes. Solid state binding of O2 to form a vanadium(V) peroxo complex","Dalton Trans.","2017","","","","","10.1039/C7DT01699A","","x-ray","0.71073","MoKα","","0.0675","0.0485","","","0.1255","0.1328","","","","","","1.059","","","","has coordinates,has disorder","198298","2020-10-21","18:00:00",""
"7043494","14.333","0.0008","8.356","0.0004","17.339","0.0009","90","","100.892","0.003","90","","2039.22","0.18","150","2","150","2","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C41 H68 Cl N2 O3 V -","- C41 H68 Cl N2 O3 V -","- C82 H136 Cl2 N4 O6 V2 -","2","1","","Barroso, Sonia; Coelho, Ana M.; Adão, Pedro; Calhorda, Maria Jose; Martins, Ana M.","Radical reactions of diamine bis(phenolate) vanadium(III) complexes. Solid state binding of O2 to form a vanadium(V) peroxo complex","Dalton Trans.","2017","","","","","10.1039/C7DT01699A","","x-ray","0.71073","MoKα","","0.068","0.0441","","","0.0949","0.1011","","","","","","1.001","","","","has coordinates","198298","2020-10-21","18:00:00",""
"7043495","14.468","0.011","7.746","0.005","17.587","0.013","90","","112.27","0.02","90","","1824","2","150","2","150","2","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C37 H58 Cl N2 O4 V -","- C37 H58 Cl N2 O4 V -","- C74 H116 Cl2 N4 O8 V2 -","2","1","","Barroso, Sonia; Coelho, Ana M.; Adão, Pedro; Calhorda, Maria Jose; Martins, Ana M.","Radical reactions of diamine bis(phenolate) vanadium(III) complexes. Solid state binding of O2 to form a vanadium(V) peroxo complex","Dalton Trans.","2017","","","","","10.1039/C7DT01699A","","x-ray","0.71073","MoKα","","0.2538","0.1199","","","0.2684","0.3221","","","","","","0.905","","","","has coordinates","198298","2020-10-21","18:00:00",""
"7043496","16.783","0.006","15.451","0.007","15.217","0.007","90","","116.088","0.01","90","","3544","3","150","2","150","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C34 H54 Cl2 N2 O2 V -","- C34 H54 Cl2 N2 O2 V -","- C136 H216 Cl8 N8 O8 V4 -","4","1","","Barroso, Sonia; Coelho, Ana M.; Adão, Pedro; Calhorda, Maria Jose; Martins, Ana M.","Radical reactions of diamine bis(phenolate) vanadium(III) complexes. Solid state binding of O2 to form a vanadium(V) peroxo complex","Dalton Trans.","2017","","","","","10.1039/C7DT01699A","","x-ray","0.71073","MoKα","","0.1192","0.0543","","","0.1036","0.1179","","","","","","0.943","","","","has coordinates,has disorder","198298","2020-10-21","18:00:00",""
"7043497","15.518","0.0011","23.521","0.001","21.827","0.001","90","","100.875","0.002","90","","7823.8","0.7","293","2","293","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C40 H65 N2 O4 V -","- C40 H65 N2 O4 V -","- C320 H520 N16 O32 V8 -","8","4","","Barroso, Sonia; Coelho, Ana M.; Adão, Pedro; Calhorda, Maria Jose; Martins, Ana M.","Radical reactions of diamine bis(phenolate) vanadium(III) complexes. Solid state binding of O2 to form a vanadium(V) peroxo complex","Dalton Trans.","2017","","","","","10.1039/C7DT01699A","","","0.71073","MoKα","","0.0761","0.0492","","","0.0965","0.1046","","","","","","0.976","","","","has coordinates,has disorder","198298","2020-10-21","18:00:00",""
"7043498","9.1726","0.0018","13.801","0.003","14.975","0.003","96.69","0.03","92.67","0.03","98.02","0.03","1860.6","0.7","223","2","223","2","","","","","","","","5","P -1","-P 1","2","","","","- C36 H28 Cd2 N4 O12 -","- C36 H28 Cd2 N4 O12 -","- C72 H56 Cd4 N8 O24 -","2","1","","Chen, Jing-Min; Hou, Yi-Xuan; Zhou, Qian-Kun; Zhang, Hao; Liu, Dong","UV-induced single-crystal-to-single-crystal conversion from a coordination ladder to a two-dimensional network through intermolecular carbon-carbon coupling reaction","Dalton Trans.","2017","","","","","10.1039/C7DT01989K","","","0.71073","MoKα","","0.0747","0.0543","","","0.128","0.1403","","","","","","1.079","","","","has coordinates","198299","2020-10-21","18:00:00",""
"7043499","8.8826","0.0018","14.431","0.003","14.62","0.003","96.59","0.03","93.46","0.03","99.33","0.03","1831.1","0.7","223","2","223","2","","","","","","","","5","P -1","-P 1","2","","","","- C36 H28 Cd2 N4 O12 -","- C36 H28 Cd2 N4 O12 -","- C72 H56 Cd4 N8 O24 -","2","1","","Chen, Jing-Min; Hou, Yi-Xuan; Zhou, Qian-Kun; Zhang, Hao; Liu, Dong","UV-induced single-crystal-to-single-crystal conversion from a coordination ladder to a two-dimensional network through intermolecular carbon-carbon coupling reaction","Dalton Trans.","2017","","","","","10.1039/C7DT01989K","","","0.71073","MoKα","","0.0563","0.0464","","","0.1101","0.116","","","","","","1.131","","","","has coordinates","198299","2020-10-21","18:00:00",""
"7043500","8.8056","0.0004","11.2252","0.0005","14.039","0.0007","90","","106.482","0.0018","90","","1330.66","0.11","106.05","","106.05","","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C26 H38 N2 P2 Pt -","- C26 H38 N2 P2 Pt -","- C52 H76 N4 P4 Pt2 -","2","0.5","","Zhang, Yuzhen; Hauke, Cory E.; Crawley, Matthew R.; Schurr, Bradley E.; Fulong, Cressa Ria P.; Cook, Timothy","Increasing phosphorescent quantum yields and lifetimes of platinum-alkynyl complexes with extended conjugation","Dalton Trans.","2017","","","","","10.1039/C7DT01817G","","","0.71073","MoKα","","0.0465","0.0246","","","0.0366","0.041","","","","","","1.038","","","","has coordinates","198301","2020-10-21","18:00:00",""
"7043501","9.0413","0.0004","10.8299","0.0005","14.3021","0.0006","90","","107.367","0.001","90","","1336.57","0.1","99.67","","99.67","","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C26 H38 N2 P2 Pt -","- C26 H38 N2 P2 Pt -","- C52 H76 N4 P4 Pt2 -","2","0.5","","Zhang, Yuzhen; Hauke, Cory E.; Crawley, Matthew R.; Schurr, Bradley E.; Fulong, Cressa Ria P.; Cook, Timothy","Increasing phosphorescent quantum yields and lifetimes of platinum-alkynyl complexes with extended conjugation","Dalton Trans.","2017","","","","","10.1039/C7DT01817G","","","0.71073","MoKα","","0.0207","0.0167","","","0.0415","0.0434","","","","","","1.096","","","","has coordinates","198301","2020-10-21","18:00:00",""
"7043502","8.9273","0.0005","8.9819","0.0005","13.1473","0.0007","75.641","0.002","76.921","0.002","68.656","0.002","940.35","0.09","100","","100","","","","","","","","","8","P -1","-P 1","2","","","","- C30 H44 F6 N2 O6 P2 Pt S2 -","- C30 H44 F6 N2 O6 P2 Pt S2 -","- C30 H44 F6 N2 O6 P2 Pt S2 -","1","0.5","","Zhang, Yuzhen; Hauke, Cory E.; Crawley, Matthew R.; Schurr, Bradley E.; Fulong, Cressa Ria P.; Cook, Timothy","Increasing phosphorescent quantum yields and lifetimes of platinum-alkynyl complexes with extended conjugation","Dalton Trans.","2017","","","","","10.1039/C7DT01817G","","","0.71073","MoKα","","0.0168","0.0168","","","0.0435","0.0435","","","","","","1.095","","","","has coordinates","198301","2020-10-21","18:00:00",""
"7043503","8.9921","0.0004","20.8912","0.0009","10.4273","0.0004","90","","106.284","0.0012","90","","1880.25","0.14","105.49","","105.49","","","","","","","","","8","P 1 21/n 1","-P 2yn","14","","","","- C30 H44 F6 N2 O6 P2 Pt S2 -","- C30 H44 F6 N2 O6 P2 Pt S2 -","- C60 H88 F12 N4 O12 P4 Pt2 S4 -","2","0.5","","Zhang, Yuzhen; Hauke, Cory E.; Crawley, Matthew R.; Schurr, Bradley E.; Fulong, Cressa Ria P.; Cook, Timothy","Increasing phosphorescent quantum yields and lifetimes of platinum-alkynyl complexes with extended conjugation","Dalton Trans.","2017","","","","","10.1039/C7DT01817G","","","0.71073","MoKα","","0.0233","0.0177","","","0.0381","0.0398","","","","","","1.175","","","","has coordinates","198301","2020-10-21","18:00:00",""
"7043504","9.5946","0.001","18.9239","0.0012","22.0437","0.0017","90","","90","","90","","4002.4","0.6","298","2","298","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C38 H56 Br2 F N5 O2 -","- C38 H56 Br2 F N5 O2 -","- C152 H224 Br8 F4 N20 O8 -","4","1","","Manna, Utsab; Kayal, Santanu; Samanta, Soham; Das, Gopal","Fixation of Atmospheric CO2 as Novel Carbonate-(Water)2-Carbonate Cluster and Entrapment of Double Sulfate Within Linear Tetrameric Barrel of Neutral Bis-Urea Scaffold","Dalton Trans.","2017","","","","","10.1039/C7DT01697B","","","0.71073","MoKα","","0.1951","0.0808","","","0.1491","0.2026","","","","","","0.964","","","","has coordinates","198302","2020-10-21","18:00:00",""
"7043505","15.301","0.0005","25.2965","0.0008","31.7134","0.0011","90","","90","","90","","12275","0.7","298","2","298","2","","","","","","","","6","P b c a","-P 2ac 2ab","61","","","","- C54 H92 Br2 Cl2 N6 O2 -","- C54 H92 Br2 Cl2 N6 O2 -","- C432 H736 Br16 Cl16 N48 O16 -","8","1","","Manna, Utsab; Kayal, Santanu; Samanta, Soham; Das, Gopal","Fixation of Atmospheric CO2 as Novel Carbonate-(Water)2-Carbonate Cluster and Entrapment of Double Sulfate Within Linear Tetrameric Barrel of Neutral Bis-Urea Scaffold","Dalton Trans.","2017","","","","","10.1039/C7DT01697B","","","0.71073","MoKα","","0.2381","0.0593","","","0.1537","0.2327","","","","","","1.029","","","","has coordinates,has disorder","198302","2020-10-21","18:00:00",""
"7043506","12.8001","0.0008","16.2776","0.0007","20.7926","0.0009","74.842","0.004","84.573","0.004","84.538","0.004","4151.6","0.4","298","2","298","2","","","","","","","","6","P -1","-P 1","2","","","","- C76 H111 Br4 N10 O8 S -","- C76 H111 Br4 N10 O8 S -","- C152 H222 Br8 N20 O16 S2 -","2","1","","Manna, Utsab; Kayal, Santanu; Samanta, Soham; Das, Gopal","Fixation of Atmospheric CO2 as Novel Carbonate-(Water)2-Carbonate Cluster and Entrapment of Double Sulfate Within Linear Tetrameric Barrel of Neutral Bis-Urea Scaffold","Dalton Trans.","2017","","","","","10.1039/C7DT01697B","","","0.71073","MoKα","","0.326","0.093","","","0.1699","0.2317","","","","","","1.088","","","","has coordinates","198302","2020-10-21","18:00:00",""
"7043507","28.8876","0.0014","23.264","0.0009","24.7611","0.0011","90","","97.383","0.004","90","","16502.5","1.3","298","2","298","2","","","","","","","","5","C 1 c 1","C -2yc","9","","","","- C154 H226 Cl8 N20 O16 -","- C154 H222 Cl8 N20 O16 -","- C616 H888 Cl32 N80 O64 -","4","1","","Manna, Utsab; Kayal, Santanu; Samanta, Soham; Das, Gopal","Fixation of Atmospheric CO2 as Novel Carbonate-(Water)2-Carbonate Cluster and Entrapment of Double Sulfate Within Linear Tetrameric Barrel of Neutral Bis-Urea Scaffold","Dalton Trans.","2017","","","","","10.1039/C7DT01697B","","","0.71073","MoKα","","0.28","0.1042","","","0.2619","0.3864","","","","","","0.868","","","","has coordinates,has disorder","198302","2020-10-21","18:00:00",""
"7043508","12.8122","0.0006","16.2196","0.0007","21.0535","0.0009","73.309","0.003","83.915","0.003","84.668","0.003","4158.2","0.3","298","2","298","2","","","","","","","","6","P -1","-P 1","2","","","","- C76 H112 Cl4 N10 O8 S -","- C76 H112 Cl4 N10 O8 S -","- C152 H224 Cl8 N20 O16 S2 -","2","1","","Manna, Utsab; Kayal, Santanu; Samanta, Soham; Das, Gopal","Fixation of Atmospheric CO2 as Novel Carbonate-(Water)2-Carbonate Cluster and Entrapment of Double Sulfate Within Linear Tetrameric Barrel of Neutral Bis-Urea Scaffold","Dalton Trans.","2017","","","","","10.1039/C7DT01697B","","","0.71073","MoKα","","0.2412","0.0754","","","0.189","0.2605","","","","","","0.954","","","","has coordinates,has disorder","198302","2020-10-21","18:00:00",""
"7043509","9.6122","0.0006","19.0787","0.0019","21.6748","0.0017","90","","91.739","0.006","90","","3973.1","0.6","298","2","298","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C38 H55 Cl2 F N5 O2 -","- C38 H55 Cl2 F N5 O2 -","- C152 H220 Cl8 F4 N20 O8 -","4","1","","Manna, Utsab; Kayal, Santanu; Samanta, Soham; Das, Gopal","Fixation of Atmospheric CO2 as Novel Carbonate-(Water)2-Carbonate Cluster and Entrapment of Double Sulfate Within Linear Tetrameric Barrel of Neutral Bis-Urea Scaffold","Dalton Trans.","2017","","","","","10.1039/C7DT01697B","","","0.71073","MoKα","","0.1799","0.0821","","","0.1925","0.2402","","","","","","1.115","","","","has coordinates,has disorder","198302","2020-10-21","18:00:00",""
"7043510","8.1528","0.0003","11.4097","0.0004","13.9181","0.0004","92.34","0.002","90.367","0.002","106.72","0.002","1238.68","0.07","173","2","173","2","","","","","","","","4","P -1","-P 1","2","","","","- C32 H25 N5 O2 -","- C32 H25 N5 O2 -","- C64 H50 N10 O4 -","2","1","","Kuppusamy, Senthil kumar; Salitros, Ivan; Moreno Pineda, Eufemio; Ruben, Mario","Spacer type mediated tunable spin crossover (SCO) characteristics of pyrene decorated 2, 6-bis(pyrazol-1-yl)pyridine (bpp) based Fe(II) molecular spintronic modules","Dalton Trans.","2017","","","","","10.1039/C7DT02219K","","","0.71073","MoKα","","0.1025","0.0579","","","0.1452","0.19","","","","","","1.027","","","","has coordinates","198353","2020-10-21","18:00:00",""
"7043511","9.5351","0.0009","17.2416","0.0019","20.421","0.002","90","","99.585","0.003","90","","3310.4","0.6","138","","138","","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C30 H52 B Co N7 O -","- C30 H52 B Co N7 O -","- C120 H208 B4 Co4 N28 O4 -","4","1","","Fujisawa, Kiyoshi; Soma, Shoko; Kurihara, Haruka; Dong, Hai Thanh; Bilodeau, Max; Lehnert, Nicolai","A Cobalt-Nitrosyl Complex with a Hindered Hydrotris(pyrazolyl)borate Coligand: Detailed Electronic Structure, and Reactivity towards Dioxygen","Dalton Trans.","2017","","","","","10.1039/C7DT01565H","","","0.71075","MoKα","","0.0592","0.0431","","","0.1105","0.1209","","","","","","1.039","","","","has coordinates","198447","2020-10-21","18:00:00",""
"7043512","9.4152","0.0013","17.442","0.002","10.6017","0.0016","90","","106.857","0.003","90","","1666.2","0.4","138","","138","","","","","","","","","6","P 1 21/m 1","-P 2yb","11","","","","- C30 H52 B Co N7 O3 -","- C30 H52 B Co N7 O3 -","- C60 H104 B2 Co2 N14 O6 -","2","0.5","","Fujisawa, Kiyoshi; Soma, Shoko; Kurihara, Haruka; Dong, Hai Thanh; Bilodeau, Max; Lehnert, Nicolai","A Cobalt-Nitrosyl Complex with a Hindered Hydrotris(pyrazolyl)borate Coligand: Detailed Electronic Structure, and Reactivity towards Dioxygen","Dalton Trans.","2017","","","","","10.1039/C7DT01565H","","","0.71075","MoKα","","0.0311","0.0276","","","0.0708","0.0727","","","","","","1.054","","","","has coordinates","198447","2020-10-21","18:00:00",""
"7043513","9.4573","0.0013","17.404","0.002","20.336","0.003","90","","100.603","0.003","90","","3290","0.8","138","","138","","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C30 H52 B Co N7 O2 -","- C30 H52 B Co N7 O2 -","- C120 H208 B4 Co4 N28 O8 -","4","1","","Fujisawa, Kiyoshi; Soma, Shoko; Kurihara, Haruka; Dong, Hai Thanh; Bilodeau, Max; Lehnert, Nicolai","A Cobalt-Nitrosyl Complex with a Hindered Hydrotris(pyrazolyl)borate Coligand: Detailed Electronic Structure, and Reactivity towards Dioxygen","Dalton Trans.","2017","","","","","10.1039/C7DT01565H","","","0.71075","MoKα","","0.044","0.0303","","","0.0695","0.0752","","","","","","1.019","","","","has coordinates","198447","2020-10-21","18:00:00",""
"7043514","20.059","0.005","12.787","0.003","12.502","0.003","90","","90","","90","","3206.7","1.3","100","2","100","2","","","","","","","","6","P n m a","-P 2ac 2n","62","","","","- C13 H5 Fe2 K O7 S -","- C13 H5 Fe2 K O7 S -","- C104 H40 Fe16 K8 O56 S8 -","8","1","","Shupp, J. Patrick; Rose, Amber R.; Rose, Michael J.","Synthesis and interconversions of reduced, alkali‒metal supported iron‒sulfur‒carbonyl complexes","Dalton Trans.","2017","","","","","10.1039/C7DT01506B","","","0.71075","MoKα","","0.0529","0.0411","","","0.0975","0.1046","","","","","","1.036","","","","has coordinates","198448","2020-10-21","18:00:00",""
"7043515","11.403","0.002","12.306","0.002","15.455","0.003","111.685","0.005","90.9","0.005","96.876","0.005","1996.5","0.6","100","2","100","2","","","","","","","","6","P -1","-P 1","2","","","","- C68 H80 Fe4 K2 O32 S4 -","- C68 H80 Fe4 K2 O32 S4 -","- C68 H80 Fe4 K2 O32 S4 -","1","0.5","","Shupp, J. Patrick; Rose, Amber R.; Rose, Michael J.","Synthesis and interconversions of reduced, alkali‒metal supported iron‒sulfur‒carbonyl complexes","Dalton Trans.","2017","","","","","10.1039/C7DT01506B","","","0.71075","MoKα","","0.0754","0.0539","","","0.1199","0.1297","","","","","","1.063","","","","has coordinates,has disorder","198448","2020-10-21","18:00:00",""
"7043516","14.1536","0.0011","15.8852","0.0013","20.497","0.002","93.487","0.003","90.553","0.003","115.373","0.004","4152.9","0.6","100","2","100","2","","","","","","","","7","P -1","-P 1","2","","","","- C67 H83 Fe3 K2 N O29 S -","- C67 H83 Fe3 K2 N O29 S -","- C134 H166 Fe6 K4 N2 O58 S2 -","2","1","","Shupp, J. Patrick; Rose, Amber R.; Rose, Michael J.","Synthesis and interconversions of reduced, alkali‒metal supported iron‒sulfur‒carbonyl complexes","Dalton Trans.","2017","","","","","10.1039/C7DT01506B","","","0.71073","MoKα","","0.071","0.048","","","0.1082","0.1181","","","","","","1.058","","","","has coordinates","205752","2020-10-21","18:00:00",""
"7043517","14.8881","0.0013","15.2863","0.0013","20.8167","0.0018","92.417","0.003","96.261","0.003","115.604","0.003","4225.7","0.6","100","2","100","2","","","","","","","","6","P -1","-P 1","2","","","","- C72 H90 Fe5 K2 O33 S4 -","- C72 H90 Fe5 K2 O33 S4 -","- C144 H180 Fe10 K4 O66 S8 -","2","1","","Shupp, J. Patrick; Rose, Amber R.; Rose, Michael J.","Synthesis and interconversions of reduced, alkali‒metal supported iron‒sulfur‒carbonyl complexes","Dalton Trans.","2017","","","","","10.1039/C7DT01506B","","","0.71075","MoKα","","0.0932","0.0748","","","0.1992","0.212","","","","","","1.058","","","","has coordinates","198448","2020-10-21","18:00:00",""
"7043518","6.958","0.001","13.352","0.003","13.49","0.003","101.48","0.03","92.81","0.03","103.84","0.03","1186.4","0.5","293","2","293","2","","","","","","","","6","P -1","-P 1","2","","","","- C17 H25 Cl2 N5 O3 Ru -","- C17 H25 Cl2 N5 O3 Ru -","- C34 H50 Cl4 N10 O6 Ru2 -","2","1","","van Eldik, Rudi; Katafias, Anna; Impert, Olga; Kozakiewicz, Anna; Surdykowski, Andrzej; Chrzanowska, Marta; Brzozowska, Paulina; Franke, Alicja; Puchta, Ralph; Zahl, Achim","Structure and reactivity of [RuII(terpy)(N^N)Cl]Cl complexes. Consequences for biological applications","Dalton Trans.","2017","","","","","10.1039/C7DT01669G","","","0.71073","MoKα","","0.1115","0.0832","","","0.2392","0.2602","","","","","","1.091","","","","has coordinates","198499","2020-10-21","18:00:00",""
"7043519","13.585","0.003","13.764","0.003","14.616","0.003","100.75","0.03","101.21","0.03","100.51","0.03","2565.1","1.1","293","2","293","2","","","","","","","","6","P -1","-P 1","2","","","","- C25 H23 Cl2 N5 O2 Ru -","- C25 H23 Cl2 N5 O2 Ru -","- C100 H92 Cl8 N20 O8 Ru4 -","4","2","","van Eldik, Rudi; Katafias, Anna; Impert, Olga; Kozakiewicz, Anna; Surdykowski, Andrzej; Chrzanowska, Marta; Brzozowska, Paulina; Franke, Alicja; Puchta, Ralph; Zahl, Achim","Structure and reactivity of [RuII(terpy)(N^N)Cl]Cl complexes. Consequences for biological applications","Dalton Trans.","2017","","","","","10.1039/C7DT01669G","","","0.71073","MoKα","","0.1481","0.0789","","","0.1657","0.2071","","","","","","1.09","","","","has coordinates","198499","2020-10-21","18:00:00",""
"7043520","9.341","0.006","20.608","0.013","13.101","0.008","90","","109.331","0.011","90","","2380","3","298","2","298","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C28 H24 N2 O2 Se -","- C28 H24 N2 O2 Se -","- C112 H96 N8 O8 Se4 -","4","1","","Singh, Poornima; Singh, Ajai kumar","Palladium(II) complexes of N, N-diphenylacetamide based thio/selenoethers and flower shaped Pd16S7 and prismatic Pd17Se15 nano-particles tailored from them as catalysts for C−C and C−O coupling","Dalton Trans.","2017","","","","","10.1039/C7DT01279A","","","0.71073","MoKα","","0.0723","0.0416","","","0.0937","0.1137","","","","","","1.01","","","","has coordinates","198500","2020-10-21","18:00:00",""
"7043521","9.398","0.003","13.898","0.004","10.247","0.003","90","","112.46","0.006","90","","1236.9","0.6","298","2","298","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C14 H12 Br N O -","- C14 H12 Br N O -","- C56 H48 Br4 N4 O4 -","4","1","","Singh, Poornima; Singh, Ajai kumar","Palladium(II) complexes of N, N-diphenylacetamide based thio/selenoethers and flower shaped Pd16S7 and prismatic Pd17Se15 nano-particles tailored from them as catalysts for C−C and C−O coupling","Dalton Trans.","2017","","","","","10.1039/C7DT01279A","","","0.71073","MoKα","","0.0879","0.0468","","","0.0965","0.11","","","","","","1.024","","","","has coordinates","198500","2020-10-21","18:00:00",""
"7043522","9.43","0.002","10.752","0.003","14.94","0.004","81.965","0.004","89.092","0.005","68.046","0.004","1390.1","0.6","298","2","298","2","","","","","","","","7","P -1","-P 1","2","","","","- C60 H54 Cl2 N6 O4 Pd Se2 -","- C60 H54 Cl2 N6 O4 Pd Se2 -","- C60 H54 Cl2 N6 O4 Pd Se2 -","1","0.5","","Singh, Poornima; Singh, Ajai kumar","Palladium(II) complexes of N, N-diphenylacetamide based thio/selenoethers and flower shaped Pd16S7 and prismatic Pd17Se15 nano-particles tailored from them as catalysts for C−C and C−O coupling","Dalton Trans.","2017","","","","","10.1039/C7DT01279A","","","0.71073","MoKα","","0.059","0.0447","","","0.1382","0.1651","","","","","","1.023","","","","has coordinates","198500","2020-10-21","18:00:00",""
"7043523","11.7","0.004","12.284","0.004","12.639","0.004","96.477","0.007","114.035","0.006","106.735","0.006","1532.8","0.9","298","2","298","2","","","","","","","","7","P -1","-P 1","2","","","","- C58 H50 Cl8 N4 O4 Pd S2 -","- C58 H50 Cl8 N4 O4 Pd S2 -","- C58 H50 Cl8 N4 O4 Pd S2 -","1","0.5","","Singh, Poornima; Singh, Ajai kumar","Palladium(II) complexes of N, N-diphenylacetamide based thio/selenoethers and flower shaped Pd16S7 and prismatic Pd17Se15 nano-particles tailored from them as catalysts for C−C and C−O coupling","Dalton Trans.","2017","","","","","10.1039/C7DT01279A","","","0.71073","MoKα","","0.0771","0.0655","","","0.1624","0.1689","","","","","","1.108","","","","has coordinates","198500","2020-10-21","18:00:00",""
"7043524","17.766","0.007","5.557","0.002","13.792","0.005","90","","120.633","0.008","90","","1171.6","0.8","298","2","298","2","","","","","","","","5","C 1 2 1","C 2y","5","","","","- C28 H24 N2 O2 S -","- C28 H24 N2 O2 S -","- C56 H48 N4 O4 S2 -","2","0.5","","Singh, Poornima; Singh, Ajai kumar","Palladium(II) complexes of N, N-diphenylacetamide based thio/selenoethers and flower shaped Pd16S7 and prismatic Pd17Se15 nano-particles tailored from them as catalysts for C−C and C−O coupling","Dalton Trans.","2017","","","","","10.1039/C7DT01279A","","","0.71073","MoKα","","0.1168","0.0804","","","0.1166","0.1283","","","","","","1.082","","","","has coordinates","198500","2020-10-21","18:00:00",""
"7043527","9.2988","0.0002","13.2821","0.0003","14.5983","0.0003","81.853","0.001","73.402","0.001","72.649","0.001","1646.1","0.06","100","2","100","2","","","","","","","synthesis as described","8","P -1","-P 1","2","","","","- C35 H35 B Cl F4 N3 P Rh -","- C35 H35 B Cl F4 N3 P Rh -","- C70 H70 B2 Cl2 F8 N6 P2 Rh2 -","2","1","","Valyaev, Dmitry A.; Willot, Jérémy; Mangin, Loïc P; Zargarian, Davit; Lugan, Noël","Manganese-Mediated Synthesis of an NHC Core Non-Symmetric Pincer Ligand and Evaluation of Its Coordination Properties","Dalton Trans.","2017","","","","","10.1039/C7DT02190A","","x-ray","0.71073","MoKα","","0.0219","0.0189","","","0.0469","0.0487","","","","","","1.082","","","","has coordinates","198570","2020-10-21","18:00:00",""
"7043528","13.732","0.0011","7.9816","0.0006","23.4948","0.0018","90","","96.728","0.003","90","","2557.4","0.3","273","2","273.15","","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C27 H22 Br2 N3 Ni P -","- C27 H22 Br2 N3 Ni P -","- C108 H88 Br8 N12 Ni4 P4 -","4","1","","Valyaev, Dmitry A.; Willot, Jérémy; Mangin, Loïc P; Zargarian, Davit; Lugan, Noël","Manganese-Mediated Synthesis of an NHC Core Non-Symmetric Pincer Ligand and Evaluation of Its Coordination Properties","Dalton Trans.","2017","","","","","10.1039/C7DT02190A","","","1.34139","GaKα","","0.0299","0.0289","","","0.0769","0.0776","","","","","","1.07","","","","has coordinates","198570","2020-10-21","18:00:00",""
"7043529","12.978","0.0003","15.1277","0.0003","17.305","0.0004","90","","92.288","0.001","90","","3394.74","0.13","100","2","100","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C34 H30 I3 N3 P Rh -","- C34 H30 I3 N3 P Rh -","- C136 H120 I12 N12 P4 Rh4 -","4","1","","Valyaev, Dmitry A.; Willot, Jérémy; Mangin, Loïc P; Zargarian, Davit; Lugan, Noël","Manganese-Mediated Synthesis of an NHC Core Non-Symmetric Pincer Ligand and Evaluation of Its Coordination Properties","Dalton Trans.","2017","","","","","10.1039/C7DT02190A","","x-ray","0.71073","MoKα","","0.0258","0.0223","","","0.0525","0.056","","","","","","1.111","","","","has coordinates","198570","2020-10-21","18:00:00",""
"7043530","9.0854","0.0009","18.1789","0.0019","13.8937","0.0015","90","","99.456","0.002","90","","2263.5","0.4","173","2","173","2","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C52 H55 Au Cl O4 P -","- C52 H55 Au Cl O4 P -","- C104 H110 Au2 Cl2 O8 P2 -","2","1","","Elaieb, Fethi; Sémeril, David; Matt, Dominique; Pfeffer, Michel; Bouit, Pierre-Antoine; Hissler, Muriel; Gourlaouen, Christophe; Harrowfield, Jack","Calix[4]arene-fused phospholes","Dalton Trans.","2017","","","","","10.1039/C7DT01899A","","","0.71073","MoKα","","0.0808","0.0497","","","0.0756","0.0825","","","","","","1.023","","","","has coordinates,has disorder","198571","2020-10-21","18:00:00",""
"7043531","11.288","0.005","11.576","0.005","20.999","0.005","87.574","0.005","86.443","0.005","64.98","0.005","2481.3","1.6","173","2","173","2","","","","","","","","6","P -1","-P 1","2","","","","- C58 H61 Au Cl O4 P -","- C58 H61 Au Cl O4 P -","- C116 H122 Au2 Cl2 O8 P2 -","2","1","","Elaieb, Fethi; Sémeril, David; Matt, Dominique; Pfeffer, Michel; Bouit, Pierre-Antoine; Hissler, Muriel; Gourlaouen, Christophe; Harrowfield, Jack","Calix[4]arene-fused phospholes","Dalton Trans.","2017","","","","","10.1039/C7DT01899A","","","0.71073","MoKα","","0.0432","0.0299","","","0.0554","0.0589","","","","","","1.048","","","","has coordinates","198571","2020-10-21","18:00:00",""
"7043532","9.8908","0.0007","19.6964","0.0014","27.456","0.002","94.474","0.002","90.746","0.002","91.791","0.002","5329.2","0.7","173","2","173","2","","","","","","","","7","P -1","-P 1","2","","","","- C62 H63 Cl N O4 P Pd -","- C62 H63 Cl N O4 P Pd -","- C248 H252 Cl4 N4 O16 P4 Pd4 -","4","2","","Elaieb, Fethi; Sémeril, David; Matt, Dominique; Pfeffer, Michel; Bouit, Pierre-Antoine; Hissler, Muriel; Gourlaouen, Christophe; Harrowfield, Jack","Calix[4]arene-fused phospholes","Dalton Trans.","2017","","","","","10.1039/C7DT01899A","","","0.71073","MoKα","","0.1495","0.0782","","","0.1526","0.1776","","","","","","1.059","","","","has coordinates,has disorder","198571","2020-10-21","18:00:00",""
"7043533","38.0572","0.0004","38.0572","0.0004","38.0572","0.0004","90","","90","","90","","55120.2","1","173","2","173","2","","","","","","","","4","I 21 3","I 2b 2c 3","199","","","","- C52 H55 O5 P -","- C52 H55 O5 P -","- C2496 H2640 O240 P48 -","48","2","","Elaieb, Fethi; Sémeril, David; Matt, Dominique; Pfeffer, Michel; Bouit, Pierre-Antoine; Hissler, Muriel; Gourlaouen, Christophe; Harrowfield, Jack","Calix[4]arene-fused phospholes","Dalton Trans.","2017","","","","","10.1039/C7DT01899A","","","1.54178","CuKα","","0.0566","0.0482","","","0.1228","0.1279","","","","","","1.046","","","","has coordinates,has disorder","198571","2020-10-21","18:00:00",""
"7043534","23.635","0.002","23.635","0.002","13.7616","0.0014","90","","90","","120","","6657.5","1","298","2","298","2","","","","","","","","6","R 3 c :H","R 3 -2""c","161","","","","- C30 H48 Co3 N12 O24 S3 -","- C30 H48 Co3 N12 O24 S3 -","- C180 H288 Co18 N72 O144 S18 -","6","0.333333","","Li, Jun-Jiao; Wang, Chong-Chen; Fu, Huifen; Cui, Jing-rui; Xu, Peng; Guo, Jie; Li, Jian-Rong","High-performance adsorption and separation of anionic dyes in water using a chemically stable graphene-like metal-organic framework","Dalton Trans.","2017","","","","","10.1039/C7DT02208E","","","0.71073","MoKα","","0.0369","0.0308","","","0.0685","0.0724","","","","","","1.044","","","","has coordinates","198572","2020-10-21","18:00:00",""
"7043535","4.0031","0.0008","20.739","0.004","4.1624","0.0009","90","","90","","90","","345.56","0.12","200","2","200","2","","","","","","","","3","C m m m","-C 2 2","65","","","","- Al0.26 Gd Ge3 -","- Al0.27 Gd Ge3 -","- Al1.08 Gd4 Ge12 -","4","0.25","","Zhang, Jiliang; Liu, Yanyan; Shek, Chan Hung; Wang, Yingmin; Bobev, Svilen","On the structures of the rare-earth metal germanides from the series REAl1−xGe3 (RE = Nd, Sm, Gd, Tb, Dy, Ho; 0.6 < x < 0.9). A tale of vacancies at the Al sites and the concomitant structural modulations","Dalton Trans.","2017","","","","","10.1039/C7DT01977G","","","0.71073","MoKα","","0.0276","0.0258","","","0.0453","0.0455","","","","","","1.904","","","","has coordinates","198573","2020-10-21","18:00:00",""
"7043536","4.074","0.002","21.019","0.011","4.261","0.002","90","","90","","90","","364.9","0.3","200","2","200","2","","","","","","","","3","C m m m","-C 2 2","65","","","","- Al0.38 Ge3 Nd -","- Al0.39 Ge3 Nd -","- Al1.56 Ge12 Nd4 -","4","0.25","","Zhang, Jiliang; Liu, Yanyan; Shek, Chan Hung; Wang, Yingmin; Bobev, Svilen","On the structures of the rare-earth metal germanides from the series REAl1−xGe3 (RE = Nd, Sm, Gd, Tb, Dy, Ho; 0.6 < x < 0.9). A tale of vacancies at the Al sites and the concomitant structural modulations","Dalton Trans.","2017","","","","","10.1039/C7DT01977G","","","0.71073","MoKα","","0.0372","0.0363","","","0.0771","0.0773","","","","","","1.107","","","","has coordinates","198573","2020-10-21","18:00:00",""
"7043537","3.9727","0.0018","20.653","0.009","4.1233","0.0019","90","","90","","90","","338.3","0.3","200","2","200","2","","","","","","","","3","C m m m","-C 2 2","65","","","","- Al0.22 Ge3 Tb -","- Al0.21 Ge3 Tb -","- Al0.84 Ge12 Tb4 -","4","0.25","","Zhang, Jiliang; Liu, Yanyan; Shek, Chan Hung; Wang, Yingmin; Bobev, Svilen","On the structures of the rare-earth metal germanides from the series REAl1−xGe3 (RE = Nd, Sm, Gd, Tb, Dy, Ho; 0.6 < x < 0.9). A tale of vacancies at the Al sites and the concomitant structural modulations","Dalton Trans.","2017","","","","","10.1039/C7DT01977G","","","0.71073","MoKα","","0.0256","0.0238","","","0.0457","0.0463","","","","","","1.149","","","","has coordinates","198573","2020-10-21","18:00:00",""
"7043538","8.5058","0.0017","8.1356","0.0017","20.999","0.004","90","","90","","90","","1453.1","0.5","200","2","200","2","","","","","","","","3","C m c e","-C 2ac 2","64","","","","- Al0.63 Ge6 Nd2 -","- Al0.587 Ge6 Nd2 -","- Al4.696 Ge48 Nd16 -","8","0.5","","Zhang, Jiliang; Liu, Yanyan; Shek, Chan Hung; Wang, Yingmin; Bobev, Svilen","On the structures of the rare-earth metal germanides from the series REAl1−xGe3 (RE = Nd, Sm, Gd, Tb, Dy, Ho; 0.6 < x < 0.9). A tale of vacancies at the Al sites and the concomitant structural modulations","Dalton Trans.","2017","","","","","10.1039/C7DT01977G","","","0.71073","MoKα","","0.0452","0.0234","","","0.0551","0.0654","","","","","","1.024","","","","has coordinates","198573","2020-10-21","18:00:00",""
"7043539","3.9608","0.0006","20.577","0.003","4.1055","0.0006","90","","90","","90","","334.6","0.09","200","2","200","2","","","","","","","","3","C m m m","-C 2 2","65","","","","- Al0.21 Dy Ge3 -","- Al0.206 Dy Ge3 -","- Al0.824 Dy4 Ge12 -","4","0.25","","Zhang, Jiliang; Liu, Yanyan; Shek, Chan Hung; Wang, Yingmin; Bobev, Svilen","On the structures of the rare-earth metal germanides from the series REAl1−xGe3 (RE = Nd, Sm, Gd, Tb, Dy, Ho; 0.6 < x < 0.9). A tale of vacancies at the Al sites and the concomitant structural modulations","Dalton Trans.","2017","","","","","10.1039/C7DT01977G","","","0.71073","MoKα","","0.0203","0.02","","","0.0407","0.0408","","","","","","1.127","","","","has coordinates","198573","2020-10-21","18:00:00",""
"7043540","3.9484","0.001","20.541","0.005","4.0871","0.001","90","","90","","90","","331.48","0.14","200","2","200","2","","","","","","","","3","C m m m","-C 2 2","65","","","","- Al0.17 Ge3 Ho -","- Al0.164 Ge3 Ho -","- Al0.656 Ge12 Ho4 -","4","0.25","","Zhang, Jiliang; Liu, Yanyan; Shek, Chan Hung; Wang, Yingmin; Bobev, Svilen","On the structures of the rare-earth metal germanides from the series REAl1−xGe3 (RE = Nd, Sm, Gd, Tb, Dy, Ho; 0.6 < x < 0.9). A tale of vacancies at the Al sites and the concomitant structural modulations","Dalton Trans.","2017","","","","","10.1039/C7DT01977G","","","0.71073","MoKα","","0.0211","0.0196","","","0.045","0.0456","","","","","","1.173","","","","has coordinates","198573","2020-10-21","18:00:00",""
"7043541","4.04","0.003","20.88","0.014","4.21","0.003","90","","90","","90","","355.1","0.4","200","2","200","2","","","","","","","","3","C m m m","-C 2 2","65","","","","- Al0.28 Ge3 Sm -","- Al0.26 Ge3 Sm -","- Al1.04 Ge12 Sm4 -","4","0.25","","Zhang, Jiliang; Liu, Yanyan; Shek, Chan Hung; Wang, Yingmin; Bobev, Svilen","On the structures of the rare-earth metal germanides from the series REAl1−xGe3 (RE = Nd, Sm, Gd, Tb, Dy, Ho; 0.6 < x < 0.9). A tale of vacancies at the Al sites and the concomitant structural modulations","Dalton Trans.","2017","","","","","10.1039/C7DT01977G","","","0.71073","MoKα","","0.0389","0.0362","","","0.0788","0.0797","","","","","","1.157","","","","has coordinates","198573","2020-10-21","18:00:00",""
"7043542","35.581","0.002","12.7359","0.0003","25.616","0.004","90","","127.07","0.0015","90","","9262.1","1.6","150","2","150","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C72 H108 N16 O12 Zn10 -","- C72 H108 N16 O12 Zn10 -","- C288 H432 N64 O48 Zn40 -","4","0.5","","chen, ming-tsz; Chen, Chi-Tien","An Unprecedented Zn10O4 Heteroadamantane Cage Containing Anilido-Pyridinate Ligand and its Activities for Ring Opening Polymerization of L-Lactide and ε-Caprolactone","Dalton Trans.","2017","","","","","10.1039/C7DT01925D","","","0.71073","MoKα","","0.0793","0.0407","","","0.0907","0.0958","","","","","","0.895","","","","has coordinates,has disorder","198574","2020-10-21","18:00:00",""
"7043543","28.3272","0.0009","20.6226","0.0006","35.7721","0.0011","90","","95.824","0.002","90","","20789.5","1.1","298","2","298.15","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C196 H142 O79 Zr18 -","- C196 H142 O79 Zr18 -","- C784 H568 O316 Zr72 -","4","1","","Liu, Bo; Xu, Tingting; Hou, Xudong; Wang, Yang; Zhang, Jun; Zhang, Junxiang","A Gigantic Polyoxozirconate with Visible Photoactivity","Dalton Trans.","2017","","","","","10.1039/C7DT02013A","","","0.71073","MoKα","","0.2101","0.0713","","","0.1497","0.1937","","","","","","1.029","","","","has coordinates","198575","2020-10-21","18:00:00",""
"7043544","28.0308","0.001","36.9998","0.0013","15.5102","0.0005","90","","90","","90","","16086.2","1","150","2","150","","","","","","","","","7","P 21 21 21","P 2ac 2ab","19","D-bpy","4","","- C64 H124 N6 O63 P2 V3 W15 -","- C64 H124 N6 O63 P2 V3 W15 -","- C256 H496 N24 O252 P8 V12 W60 -","4","1","","Auvray, Thomas; Santoni, Marie-Pierre; Hasenknopf, Bernold; Hanan, Garry","Covalent hybrids based on Re(I) tricarbonyl complexes and polypyridine-functionalized polyoxometalate: synthesis, characterization and electronic properties","Dalton Trans.","2017","","","","","10.1039/C7DT01674C","","","1.34139","GaKα","","0.0726","0.0652","","","0.1782","0.1867","","","","","","1.059","","","","has coordinates","198576","2020-10-21","18:00:00",""
"7043545","15.77282","0.00013","16.76061","0.00012","16.80269","0.00014","90","","91.5914","0.0007","90","","4440.28","0.06","99.95","0.1","99.95","0.1","","","","","","","","7","P 1 21 1","P 2yb","4","","","","- C50 H44 B Co N7 O2 S -","- C50 H44 B Co N7 O2 S -","- C200 H176 B4 Co4 N28 O8 S4 -","4","2","","Fischer, Anne A.; Lindeman, Sergey V.; Fiedler, Adam T.","Spectroscopic and computational studies of reversible O2 binding by a cobalt complex of relevance to cysteine dioxygenase.","Dalton transactions (Cambridge, England : 2003)","2017","","","","","10.1039/c7dt01600j","","x-ray","1.54184","CuKα","","0.0613","0.0489","","","0.1354","0.1566","","","","","","1.091","","","","has coordinates,has disorder","198585","2020-10-21","18:00:00",""
"7043546","13.7807","0.0003","7.71018","0.00014","18.8008","0.0003","90","","103.778","0.002","90","","1940.14","0.07","99.95","0.1","99.95","0.1","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C17 H25 B Co N6 O2 -","- C17 H25 B Co N6 O2 -","- C68 H100 B4 Co4 N24 O8 -","4","1","","Fischer, Anne A.; Lindeman, Sergey V.; Fiedler, Adam T.","Spectroscopic and computational studies of reversible O2 binding by a cobalt complex of relevance to cysteine dioxygenase.","Dalton transactions (Cambridge, England : 2003)","2017","","","","","10.1039/c7dt01600j","","x-ray","0.71073","MoKα","","0.0566","0.0461","","","0.1177","0.1274","","","","","","1.062","","","","has coordinates","198585","2020-10-21","18:00:00",""
"7043547","13.659","0.009","16.699","0.011","19.574","0.012","84.627","0.011","74.209","0.01","85.5","0.011","4271","5","296","2","296","2","","","","","","","","7","P -1","-P 1","2","","","","- C33 H34 B11 F6 Ir N4 P -","- C34 H34 B10 F6 Ir N4 P -","- C136 H136 B40 F24 Ir4 N16 P4 -","4","2","","Li, Xiang; Yin, Yongheng; Yan, Hong; Lu, Changsheng; Zhao, Qiang","Novel phosphorescent cationic iridium(III) complexes with o- carboranylation on the ancillary N^N ligand","Dalton Trans.","2017","","","","","10.1039/C7DT02009K","","","0.71073","MoKα","","0.0913","0.0668","","","0.1904","0.1993","","","","","","1.076","","","","has coordinates","198615","2020-10-21","18:00:00",""
"7043548","6.752","0.0002","20.537","0.0005","17.4119","0.0005","90","","100.934","0.002","90","","2370.6","0.11","150","2","150","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C20 H28 Fe N6 O2 P2 S2 -","- C20 H28 Fe N6 O2 P2 S2 -","- C80 H112 Fe4 N24 O8 P8 S8 -","4","1","","Natarajan, Mookan; Faujdar, Hemlata; Shaikh, M. Mobin M.; Stein, Matthias; Kaur-Ghumaan, Sandeep","Mononuclear Iron Carbonyl Complex [Fe(μ-bdt)(CO)2(PTA)2] with bulky phosphine ligand: A model for the [FeFe] hydrogenase enzyme active site with an inverted redox potential","Dalton Trans.","2017","","","","","10.1039/C7DT01994G","","","0.71073","MoKα","","0.0812","0.0603","","","0.15","0.1628","","","","","","1.036","","","","has coordinates","198616","2020-10-21","18:00:00",""
"7043549","9.5524","0.0015","10.2312","0.0017","15.549","0.003","97.356","0.002","103.694","0.003","101.972","0.002","1419","0.4","296","2","296.15","","","","","","","","","5","P -1","-P 1","2","","","","- C24 H18 Cu2 N12 O8 -","- C24 H18 Cu2 N12 O8 -","- C48 H36 Cu4 N24 O16 -","2","1","","Yan, Yang-Tian; Zhang, Si-Si; Yang, Guo-Ping; Zhang, Wen-Yan; Zhang, Fang; Cao, Feng; Yang, Rui-Feng; Wang, Yao-Yu","The influence of coordination modes and active sites of a 5-(triazol-1-yl) nicotinic ligand on the assembly of diverse MOFs","Dalton Trans.","2017","","","","","10.1039/C7DT01523B","","","0.71073","MoKα","","0.0867","0.0521","","","0.1248","0.145","","","","","","1.018","","","","has coordinates","198617","2020-10-21","18:00:00",""
"7043550","11.845","0.007","7.042","0.004","11.876","0.007","90","","117.461","0.007","90","","879","0.9","296","2","296","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C16 H14 Mn N8 O6 -","- C16 H14 Mn N8 O6 -","- C32 H28 Mn2 N16 O12 -","2","0.5","","Yan, Yang-Tian; Zhang, Si-Si; Yang, Guo-Ping; Zhang, Wen-Yan; Zhang, Fang; Cao, Feng; Yang, Rui-Feng; Wang, Yao-Yu","The influence of coordination modes and active sites of a 5-(triazol-1-yl) nicotinic ligand on the assembly of diverse MOFs","Dalton Trans.","2017","","","","","10.1039/C7DT01523B","","","0.71073","MoKα","","0.0467","0.0335","","","0.0944","0.121","","","","","","1.063","","","","has coordinates","198617","2020-10-21","18:00:00",""
"7043551","16.572","0.006","16.572","0.006","10.62","0.004","90","","90","","120","","2525.8","1.6","298","","298","","","","","","","","","5","P 32 2 1","P 32 2""","154","","","","- C9 H14 Cu N4 O6 -","- C8 H5 Cu N4 O2.5 -","- C48 H30 Cu6 N24 O15 -","6","1","","Yan, Yang-Tian; Zhang, Si-Si; Yang, Guo-Ping; Zhang, Wen-Yan; Zhang, Fang; Cao, Feng; Yang, Rui-Feng; Wang, Yao-Yu","The influence of coordination modes and active sites of a 5-(triazol-1-yl) nicotinic ligand on the assembly of diverse MOFs","Dalton Trans.","2017","","","","","10.1039/C7DT01523B","","","0.71073","MoKα","","0.1199","0.0524","","","0.0856","0.105","","","","","","0.914","","","","has coordinates,has disorder","198617","2020-10-21","18:00:00",""
"7043552","11.7","0.002","6.9671","0.0012","11.849","0.002","90","","117.789","0.003","90","","854.5","0.3","296","2","296","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C16 H14 Co N8 O6 -","- C16 H14 Co N8 O6 -","- C32 H28 Co2 N16 O12 -","2","0.5","","Yan, Yang-Tian; Zhang, Si-Si; Yang, Guo-Ping; Zhang, Wen-Yan; Zhang, Fang; Cao, Feng; Yang, Rui-Feng; Wang, Yao-Yu","The influence of coordination modes and active sites of a 5-(triazol-1-yl) nicotinic ligand on the assembly of diverse MOFs","Dalton Trans.","2017","","","","","10.1039/C7DT01523B","","","0.71073","MoKα","","0.0344","0.0292","","","0.0962","0.1119","","","","","","1.059","","","","has coordinates","198617","2020-10-21","18:00:00",""
"7043553","16.14","0.002","16.14","0.002","16.758","0.002","90","","90","","120","","3780.6","0.8","296.15","","296.15","","","","","","","","","5","P 62","P 62","171","","","","- C40 H44 Co2 N18 O13 -","- C32 H22 Co2 N16 O9 -","- C96 H66 Co6 N48 O27 -","3","0.5","","Yan, Yang-Tian; Zhang, Si-Si; Yang, Guo-Ping; Zhang, Wen-Yan; Zhang, Fang; Cao, Feng; Yang, Rui-Feng; Wang, Yao-Yu","The influence of coordination modes and active sites of a 5-(triazol-1-yl) nicotinic ligand on the assembly of diverse MOFs","Dalton Trans.","2017","","","","","10.1039/C7DT01523B","","","0.71073","MoKα","","0.0594","0.0448","","","0.1208","0.1287","","","","","","1.027","","","","has coordinates,has disorder","198617","2020-10-21","18:00:00",""
"7043554","17.377","0.01","17.377","0.01","10.73","0.006","90","","90","","120","","2806","3","100","","100","","","","","","","","","6","P 31 2 1","P 31 2""","152","","","","- C12.5 H20.5 Cl0.5 Co N6 O7.5 -","- C9.5 H9.5 Cl0.5 Co N5 O4.5 -","- C57 H57 Cl3 Co6 N30 O27 -","6","1","","Yan, Yang-Tian; Zhang, Si-Si; Yang, Guo-Ping; Zhang, Wen-Yan; Zhang, Fang; Cao, Feng; Yang, Rui-Feng; Wang, Yao-Yu","The influence of coordination modes and active sites of a 5-(triazol-1-yl) nicotinic ligand on the assembly of diverse MOFs","Dalton Trans.","2017","","","","","10.1039/C7DT01523B","","","0.71073","MoKα","","0.0647","0.0563","","","0.1522","0.1569","","","","","","1.052","","","","has coordinates,has disorder","198617","2020-10-21","18:00:00",""
"7043555","18.4673","0.0004","19.496","0.0003","25.0204","0.0004","83.4393","0.0014","78.023","0.0016","66.0723","0.0018","8050.3","0.3","150.05","0.1","150.05","0.1","","","","","","","","8","P -1","-P 1","2","","","","- C126 H97 Cu2 Mn Mo6 N10 O26 P4 -","- C126 H97 Cu2 Mn Mo6 N10 O26 P4 -","- C252 H194 Cu4 Mn2 Mo12 N20 O52 P8 -","2","1","","Schönweiz, Stefanie; Sorsche, Dieter; Schwarz, Benjamin; Rau, Sven; Streb, Carsten","Structural and reactivity insights into covalently linked Cu(I) complex-Anderson polyoxometalates","Dalton Trans.","2017","","","","","10.1039/C7DT02316B","","","1.54184","CuKα","","0.0718","0.0583","","","0.1653","0.1785","","","","","","1.066","","","","has coordinates,has disorder","198618","2020-10-21","18:00:00",""
"7043556","17.4451","0.001","20.8647","0.0012","23.6902","0.0012","76.188","0.002","84.685","0.002","77.648","0.003","8171.9","0.8","150","2","149.99","","","","","","","","","8","P -1","-P 1","2","","","","- C123 H131 Cu2 Fe Mo6 N8 O27 P4 -","- C123 H131 Cu2 Fe Mo6 N8 O27 P4 -","- C246 H262 Cu4 Fe2 Mo12 N16 O54 P8 -","2","1","","Schönweiz, Stefanie; Sorsche, Dieter; Schwarz, Benjamin; Rau, Sven; Streb, Carsten","Structural and reactivity insights into covalently linked Cu(I) complex-Anderson polyoxometalates","Dalton Trans.","2017","","","","","10.1039/C7DT02316B","","","0.71073","MoKα","","0.1026","0.0779","","","0.1784","0.1954","","","","","","1.072","","","","has coordinates","198618","2020-10-21","18:00:00",""
"7043557","6.579","0.0003","14.3346","0.0007","8.3734","0.0004","90","","91.976","0.005","90","","789.2","0.06","100","2","100","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C12 H22 N8 Ni O2 -","- C12 H22 N8 Ni O2 -","- C24 H44 N16 Ni2 O4 -","2","0.5","","Bikbaeva, Zarina M.; Novikov, Alexander S.; Suslonov, Vitalii V.; Bokach, Nadezhda A.; Kukushkin, Vadim Yu.","Metal-mediated Reactions between Dialkylcyanamides and Acetamidoxime Generate Unusual (Nitrosoguanidinate)Nickel(II) Complexes","Dalton Trans.","2017","","","","","10.1039/C7DT01960B","","","0.71073","MoKα","","0.0252","0.0229","","","0.0579","0.0594","","","","","","1.061","","","","has coordinates","198619","2020-10-21","18:00:00",""
"7043558","6.7068","0.001","6.7518","0.0012","7.8797","0.001","75.399","0.013","81.175","0.012","81.118","0.014","338.7","0.09","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","","","- C10 H18 N8 Ni O2 -","- C10 H18 N8 Ni O2 -","- C10 H18 N8 Ni O2 -","1","0.5","","Bikbaeva, Zarina M.; Novikov, Alexander S.; Suslonov, Vitalii V.; Bokach, Nadezhda A.; Kukushkin, Vadim Yu.","Metal-mediated Reactions between Dialkylcyanamides and Acetamidoxime Generate Unusual (Nitrosoguanidinate)Nickel(II) Complexes","Dalton Trans.","2017","","","","","10.1039/C7DT01960B","","x-ray","1.54184","CuKα","","0.0445","0.0376","","","0.0923","0.0991","","","","","","1.08","","","","has coordinates","198619","2020-10-21","18:00:00",""
"7043559","6.5902","0.0004","11.1021","0.0007","12.3601","0.0008","90.489","0.005","95.586","0.005","101.506","0.005","881.58","0.1","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","","","- C16 H18 N8 Ni O2 -","- C16 H18 N8 Ni O2 -","- C32 H36 N16 Ni2 O4 -","2","1","","Bikbaeva, Zarina M.; Novikov, Alexander S.; Suslonov, Vitalii V.; Bokach, Nadezhda A.; Kukushkin, Vadim Yu.","Metal-mediated Reactions between Dialkylcyanamides and Acetamidoxime Generate Unusual (Nitrosoguanidinate)Nickel(II) Complexes","Dalton Trans.","2017","","","","","10.1039/C7DT01960B","","","1.54184","CuKα","","0.0799","0.0607","","","0.1503","0.1604","","","","","","1.092","","","","has coordinates","198619","2020-10-21","18:00:00",""
"7043560","5.4378","0.001","6.6766","0.0012","15.437","0.002","90","","96.885","0.016","90","","556.41","0.16","100","2","100","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C6 H14 N8 Ni O2 -","- C6 H14 N8 Ni O2 -","- C12 H28 N16 Ni2 O4 -","2","0.5","","Bikbaeva, Zarina M.; Novikov, Alexander S.; Suslonov, Vitalii V.; Bokach, Nadezhda A.; Kukushkin, Vadim Yu.","Metal-mediated Reactions between Dialkylcyanamides and Acetamidoxime Generate Unusual (Nitrosoguanidinate)Nickel(II) Complexes","Dalton Trans.","2017","","","","","10.1039/C7DT01960B","","","1.54184","CuKα","","0.064","0.0497","","","0.1244","0.138","","","","","","1.073","","","","has coordinates","198619","2020-10-21","18:00:00",""
"7043561","18.571","0.014","17.955","0.014","9.942","0.011","90","","90.48","0.02","90","","3315","5","293","","293","","","","","","","","","6","C 1 c 1","C -2yc","9","","","","- C35 H34 Cl2 Fe P2 S -","- C35 H34 Cl2 Fe P2 S -","- C140 H136 Cl8 Fe4 P8 S4 -","4","1","","Petuker, Anette; Gerschel, Philipp; Piontek, Stefan; Ritterskamp, Nadine; Wittkamp, Florian; Iffland, Linda; Miller, Reece Graham; van Gastel, Maurice; Apfel, Ulf-Peter","Spectroscopic and Reactivity Differences in Metal Complexes Derived from Sulfur Containing Triphos Homologs","Dalton Trans.","2017","","","","","10.1039/C7DT01459G","","","0.71075","MoKα","","0.0555","0.0483","","","0.1233","0.1414","","","","","","1.097","","","","has coordinates","198620","2020-10-21","18:00:00",""
"7043562","10.2574","0.0007","17.4761","0.0009","21.2556","0.0015","90","","100.417","0.007","90","","3747.5","0.4","120","2","120","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C42 H42 Mo O4 P2 S -","- C42 H42 Mo O4 P2 S -","- C168 H168 Mo4 O16 P8 S4 -","4","1","","Petuker, Anette; Gerschel, Philipp; Piontek, Stefan; Ritterskamp, Nadine; Wittkamp, Florian; Iffland, Linda; Miller, Reece Graham; van Gastel, Maurice; Apfel, Ulf-Peter","Spectroscopic and Reactivity Differences in Metal Complexes Derived from Sulfur Containing Triphos Homologs","Dalton Trans.","2017","","","","","10.1039/C7DT01459G","","","1.54184","CuKα","","0.1015","0.0711","","","0.181","0.2124","","","","","","1.037","","","","has coordinates","198620","2020-10-21","18:00:00",""
"7043563","17.9235","0.0014","17.9235","0.0014","10.2589","0.0009","90","","90","","120","","2854.2","0.4","170","","170","","","","","","","","","5","R 3 :H","R 3","146","","","","- C44 H39 Mo O3 P3 -","- C44 H38.9997 Mo O3 P3 -","- C132 H116.999 Mo3 O9 P9 -","3","0.333333","","Petuker, Anette; Gerschel, Philipp; Piontek, Stefan; Ritterskamp, Nadine; Wittkamp, Florian; Iffland, Linda; Miller, Reece Graham; van Gastel, Maurice; Apfel, Ulf-Peter","Spectroscopic and Reactivity Differences in Metal Complexes Derived from Sulfur Containing Triphos Homologs","Dalton Trans.","2017","","","","","10.1039/C7DT01459G","","","0.71073","MoKα","","0.1216","0.0938","","","0.2094","0.24","","","","","","1.065","","","","has coordinates,has disorder","198620","2020-10-21","18:00:00",""
"7043564","25.31933","0.00015","9.23175","0.00006","17.8703","0.00015","90","","90","","90","","4177.03","0.05","106.7","0.2","106.7","0.2","","","","","","","","8","P c a 21","P 2c -2ac","29","","","","- C41 H43 B2 F8 N3 Ni P2 S -","- C41 H43 B2 F8 N3 Ni P2 S -","- C164 H172 B8 F32 N12 Ni4 P8 S4 -","4","1","","Petuker, Anette; Gerschel, Philipp; Piontek, Stefan; Ritterskamp, Nadine; Wittkamp, Florian; Iffland, Linda; Miller, Reece Graham; van Gastel, Maurice; Apfel, Ulf-Peter","Spectroscopic and Reactivity Differences in Metal Complexes Derived from Sulfur Containing Triphos Homologs","Dalton Trans.","2017","","","","","10.1039/C7DT01459G","","","1.54184","CuKα","","0.0236","0.0235","","","0.0625","0.0626","","","","","","1.046","","","","has coordinates,has disorder","288541","2023-12-24","01:19:15",""
"7043565","10.9008","0.0006","16.6383","0.0011","15.8862","0.0009","90","","97.751","0.006","90","","2855","0.3","170","2","170","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C32 H29 Mo O3 P S2 -","- C32 H29 Mo O3 P S2 -","- C128 H116 Mo4 O12 P4 S8 -","4","1","","Petuker, Anette; Gerschel, Philipp; Piontek, Stefan; Ritterskamp, Nadine; Wittkamp, Florian; Iffland, Linda; Miller, Reece Graham; van Gastel, Maurice; Apfel, Ulf-Peter","Spectroscopic and Reactivity Differences in Metal Complexes Derived from Sulfur Containing Triphos Homologs","Dalton Trans.","2017","","","","","10.1039/C7DT01459G","","","0.71073","MoKα","","0.0719","0.0452","","","0.0762","0.0868","","","","","","1.008","","","","has coordinates","198620","2020-10-21","18:00:00",""
"7043566","9.9426","0.0004","10.0256","0.0004","15.2661","0.0006","73.959","0.003","73.188","0.003","74.464","0.003","1370.46","0.1","100","10","100","10","","","","","","","","5","P -1","-P 1","2","","","","- C56 H56 Mo2 O7 S6 -","- C56 H56 Mo2 O7 S6 -","- C56 H56 Mo2 O7 S6 -","1","0.5","","Petuker, Anette; Gerschel, Philipp; Piontek, Stefan; Ritterskamp, Nadine; Wittkamp, Florian; Iffland, Linda; Miller, Reece Graham; van Gastel, Maurice; Apfel, Ulf-Peter","Spectroscopic and Reactivity Differences in Metal Complexes Derived from Sulfur Containing Triphos Homologs","Dalton Trans.","2017","","","","","10.1039/C7DT01459G","","","1.54184","CuKα","","0.0399","0.0353","","","0.0901","0.0922","","","","","","1.01","","","","has coordinates","198620","2020-10-21","18:00:00",""
"7043567","14.0836","0.0019","15.687","0.002","22.644","0.003","89.829","0.002","80.322","0.002","84.556","0.002","4908.9","1.1","296","2","296","2","","","","","","","","7","P -1","-P 1","2","","","","- C74 H74 Cu16 N32 O153 P4 W36 -","- C74 H74 Cu16 N32 O153 P4 W36 -","- C74 H74 Cu16 N32 O153 P4 W36 -","1","0.5","","Fan, Ling-yu; Yu, Kai; Lv, Jinghua; Zhang, He; Su, Zhanhua; Wang, Lu; Wang, Chunmei; Zhou, Baibin","Synthesis and photo-/electro-catalytic properties of 3D POMOF material based on interpenetrated copper coordination polymer linked by in-situ dual-ligands and Dawson-type phosphotungstate","Dalton Trans.","2017","","","","","10.1039/C7DT01666B","","","0.71073","MoKα","","0.0645","0.0436","","","0.1115","0.1299","","","","","","1.032","","","","has coordinates","198656","2020-10-21","18:00:00",""
"7043568","11.7079","0.0006","12.631","0.0006","18.8051","0.0009","78.661","0.004","84.036","0.004","69.641","0.004","2554.4","0.2","100","","100","","","","","","","","","5","P -1","-P 1","2","","","","- C42 H56 Eu N17 O10 -","- C42 H56 Eu N17 O10 -","- C84 H112 Eu2 N34 O20 -","2","1","","Maiwald, Martin Maximilian; Wagner, Anna Tessa; Kratsch, Jochen; Skerencak-Frech, Andrej; Trumm, Michael; Geist, Andreas; Roesky, Peter; Panak, Petra J.","4,4'-Di-tert-butyl-6-(1H-tetrazol-5-yl)-2,2'-bipyridine: Modification of a Highly Selective N-Donor Ligand for the Separation of Trivalent Actinides from Lanthanides","Dalton Trans.","2017","","","","","10.1039/C7DT01864A","","","0.71073","MoKα","","0.0766","0.0484","","","0.1009","0.1098","","","","","","0.921","","","","has coordinates,has disorder","198657","2020-10-21","18:00:00",""
"7043569","11.0538","0.0011","14.4067","0.0009","13.0173","0.0011","90","","103.335","0.007","90","","2017.1","0.3","190","","190","","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C19 H25 Cl N6 -","- C19 H25 Cl N6 -","- C76 H100 Cl4 N24 -","4","1","","Maiwald, Martin Maximilian; Wagner, Anna Tessa; Kratsch, Jochen; Skerencak-Frech, Andrej; Trumm, Michael; Geist, Andreas; Roesky, Peter; Panak, Petra J.","4,4'-Di-tert-butyl-6-(1H-tetrazol-5-yl)-2,2'-bipyridine: Modification of a Highly Selective N-Donor Ligand for the Separation of Trivalent Actinides from Lanthanides","Dalton Trans.","2017","","","","","10.1039/C7DT01864A","","","0.71073","MoKα","","0.1193","0.0541","","","0.1047","0.1283","","","","","","1.011","","","","has coordinates","198657","2020-10-21","18:00:00",""
"7043570","10.986","0.002","14.179","0.003","13.626","0.003","90","","98.6","0.03","90","","2098.7","0.8","200","","200","","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C19 H25 N7 O3 -","- C19 H25 N7 O3 -","- C76 H100 N28 O12 -","4","1","","Maiwald, Martin Maximilian; Wagner, Anna Tessa; Kratsch, Jochen; Skerencak-Frech, Andrej; Trumm, Michael; Geist, Andreas; Roesky, Peter; Panak, Petra J.","4,4'-Di-tert-butyl-6-(1H-tetrazol-5-yl)-2,2'-bipyridine: Modification of a Highly Selective N-Donor Ligand for the Separation of Trivalent Actinides from Lanthanides","Dalton Trans.","2017","","","","","10.1039/C7DT01864A","","","0.71073","MoKα","","0.0989","0.0591","","","0.1261","0.1402","","","","","","1.037","","","","has coordinates","198657","2020-10-21","18:00:00",""
"7043571","11.7312","0.0004","12.5933","0.0004","18.859","0.0006","78.73","0.003","84.067","0.003","69.941","0.003","2564.66","0.15","100","","100","","","","","","","","","5","P -1","-P 1","2","","","","- C42 H56 N17 O10 Sm -","- C42 H56 N17 O10 Sm -","- C84 H112 N34 O20 Sm2 -","2","1","","Maiwald, Martin Maximilian; Wagner, Anna Tessa; Kratsch, Jochen; Skerencak-Frech, Andrej; Trumm, Michael; Geist, Andreas; Roesky, Peter; Panak, Petra J.","4,4'-Di-tert-butyl-6-(1H-tetrazol-5-yl)-2,2'-bipyridine: Modification of a Highly Selective N-Donor Ligand for the Separation of Trivalent Actinides from Lanthanides","Dalton Trans.","2017","","","","","10.1039/C7DT01864A","","x-ray","0.71073","MoKα","","0.0732","0.0642","","","0.1671","0.1841","","","","","","1.058","","","","has coordinates","198657","2020-10-21","18:00:00",""
"7043572","7.2996","0.0006","9.5435","0.0007","17.2754","0.0015","84.089","0.002","80.141","0.001","84.539","0.002","1175.69","0.17","298","2","298","2","","","","","","","","6","P -1","-P 1","2","","","","- C12 H9 B F2 N4 O -","- C12 H9 B F2 N4 O -","- C48 H36 B4 F8 N16 O4 -","4","2","","Liu, Zhipeng; Liu, Yi; Duan, Jicheng; Qi, Fen; Tian, Dan; Wang, Xiaoqing; Huang, Wei","Optical Properties and Mechanofluorochromism of New BODIPY Dyes Based on Pyridine-Pyrimidine-Hybrid Structure","Dalton Trans.","2017","","","","","10.1039/C7DT02259J","","","0.71073","MoKα","","0.1031","0.0457","","","0.1015","0.1259","","","","","","0.935","","","","has coordinates","198658","2020-10-21","18:00:00",""
"7043573","7.205","0.0006","18.0229","0.0015","11.3751","0.0009","90","","118.152","0.003","90","","1302.37","0.19","298","2","298","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C13 H12 B F2 N5 -","- C13 H12 B F2 N5 -","- C52 H48 B4 F8 N20 -","4","1","","Liu, Zhipeng; Liu, Yi; Duan, Jicheng; Qi, Fen; Tian, Dan; Wang, Xiaoqing; Huang, Wei","Optical Properties and Mechanofluorochromism of New BODIPY Dyes Based on Pyridine-Pyrimidine-Hybrid Structure","Dalton Trans.","2017","","","","","10.1039/C7DT02259J","","","0.71073","MoKα","","0.0876","0.051","","","0.1394","0.1583","","","","","","1.075","","","","has coordinates","198658","2020-10-21","18:00:00",""
"7043574","10.4083","0.0009","5.5521","0.0005","19.6438","0.0017","90","","93.841","0.001","90","","1132.62","0.17","298","2","298","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C11 H6 B Cl F2 N4 -","- C11 H6 B Cl F2 N4 -","- C44 H24 B4 Cl4 F8 N16 -","4","1","","Liu, Zhipeng; Liu, Yi; Duan, Jicheng; Qi, Fen; Tian, Dan; Wang, Xiaoqing; Huang, Wei","Optical Properties and Mechanofluorochromism of New BODIPY Dyes Based on Pyridine-Pyrimidine-Hybrid Structure","Dalton Trans.","2017","","","","","10.1039/C7DT02259J","","","0.71073","MoKα","","0.0597","0.0365","","","0.0823","0.0934","","","","","","1.04","","","","has coordinates","198658","2020-10-21","18:00:00",""
"7043575","8.884","0.0009","17.2077","0.0017","16.0964","0.0016","90","","94.786","0.005","90","","2452.1","0.4","190","2","190.15","","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C18 H40 B Cl2 N3 P2 Pd -","- C18 H40 B Cl2 N3 P2 Pd -","- C72 H160 B4 Cl8 N12 P8 Pd4 -","4","1","","Lee, Kyounghoon; Donahue, Courtney M.; Daly, Scott R.","Triaminoborane-bridged diphosphine complexes with Ni and Pd: coordination chemistry, structures, and ligand-centered reactivity","Dalton Trans.","2017","","","","","10.1039/C7DT02144E","","","0.71073","MoKα","","0.0351","0.0245","","","0.0531","0.0577","","","","","","1.023","","","","has coordinates","198659","2020-10-21","18:00:00",""
"7043576","9.9895","0.001","12.223","0.0012","16.8174","0.0017","90.04","0.005","103.664","0.005","106.259","0.005","1910.6","0.3","190","2","190.15","","","","","","","","","7","P -1","-P 1","2","","","","- C32 H34 B Cl8 N3 Ni P2 -","- C32 H34 B Cl8 N3 Ni P2 -","- C64 H68 B2 Cl16 N6 Ni2 P4 -","2","1","","Lee, Kyounghoon; Donahue, Courtney M.; Daly, Scott R.","Triaminoborane-bridged diphosphine complexes with Ni and Pd: coordination chemistry, structures, and ligand-centered reactivity","Dalton Trans.","2017","","","","","10.1039/C7DT02144E","","","0.71073","MoKα","","0.0458","0.0318","","","0.0743","0.0823","","","","","","1.027","","","","has coordinates,has disorder","198659","2020-10-21","18:00:00",""
"7043577","13.8071","0.0014","11.3545","0.0011","20.486","0.002","90","","106.374","0.005","90","","3081.4","0.5","190","2","190.15","","","","","","","","","8","P 1 21/n 1","-P 2yn","14","","","","- C30 H35 B Cl N3 Ni O2 P2 -","- C30 H35 B Cl N3 Ni O2 P2 -","- C120 H140 B4 Cl4 N12 Ni4 O8 P8 -","4","1","","Lee, Kyounghoon; Donahue, Courtney M.; Daly, Scott R.","Triaminoborane-bridged diphosphine complexes with Ni and Pd: coordination chemistry, structures, and ligand-centered reactivity","Dalton Trans.","2017","","","","","10.1039/C7DT02144E","","","0.71073","MoKα","","0.0718","0.0391","","","0.1073","0.132","","","","","","0.881","","","","has coordinates","198659","2020-10-21","18:00:00",""
"7043578","12.6274","0.0013","10.9057","0.0011","17.6347","0.0018","90","","101.618","0.005","90","","2378.7","0.4","190","2","190.15","","","","","","","","","7","C 1 2/c 1","-C 2yc","15","","","","- C18 H40 B Cl2 N3 Ni P2 -","- C18 H40 B Cl2 N3 Ni P2 -","- C72 H160 B4 Cl8 N12 Ni4 P8 -","4","0.5","","Lee, Kyounghoon; Donahue, Courtney M.; Daly, Scott R.","Triaminoborane-bridged diphosphine complexes with Ni and Pd: coordination chemistry, structures, and ligand-centered reactivity","Dalton Trans.","2017","","","","","10.1039/C7DT02144E","","","0.71073","MoKα","","0.0309","0.0239","","","0.0547","0.0578","","","","","","1.035","","","","has coordinates","198659","2020-10-21","18:00:00",""
"7043579","22.219","0.002","13.6886","0.0014","13.9571","0.0014","90","","127.323","0.005","90","","3375.8","0.6","190","2","190.15","","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C32 H36 B Cl4 N3 P2 -","- C32 H36 B Cl4 N3 P2 -","- C128 H144 B4 Cl16 N12 P8 -","4","0.5","","Lee, Kyounghoon; Donahue, Courtney M.; Daly, Scott R.","Triaminoborane-bridged diphosphine complexes with Ni and Pd: coordination chemistry, structures, and ligand-centered reactivity","Dalton Trans.","2017","","","","","10.1039/C7DT02144E","","","0.71073","MoKα","","0.044","0.0331","","","0.0803","0.0872","","","","","","1.05","","","","has coordinates","198659","2020-10-21","18:00:00",""
"7043580","8.6254","0.0009","15.2128","0.0015","17.622","0.0018","90","","101.4","0.005","90","","2266.7","0.4","190","2","190.15","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C18 H40 B N3 P2 -","- C18 H40 B N3 P2 -","- C72 H160 B4 N12 P8 -","4","1","","Lee, Kyounghoon; Donahue, Courtney M.; Daly, Scott R.","Triaminoborane-bridged diphosphine complexes with Ni and Pd: coordination chemistry, structures, and ligand-centered reactivity","Dalton Trans.","2017","","","","","10.1039/C7DT02144E","","","0.71073","MoKα","","0.0574","0.0369","","","0.089","0.0998","","","","","","1.021","","","","has coordinates","198659","2020-10-21","18:00:00",""
"7043581","10.8193","0.0011","22.229","0.002","14.5574","0.0015","90","","110.787","0.005","90","","3273.2","0.6","170","2","170.15","","","","","","","","","8","P 1 21/c 1","-P 2ybc","14","","","","- C33 H38 B Cl2 N3 O P2 Pd -","- C33 H38 B Cl2 N3 O P2 Pd -","- C132 H152 B4 Cl8 N12 O4 P8 Pd4 -","4","1","","Lee, Kyounghoon; Donahue, Courtney M.; Daly, Scott R.","Triaminoborane-bridged diphosphine complexes with Ni and Pd: coordination chemistry, structures, and ligand-centered reactivity","Dalton Trans.","2017","","","","","10.1039/C7DT02144E","","","0.71073","MoKα","","0.0241","0.0212","","","0.0546","0.0564","","","","","","1.056","","","","has coordinates","198659","2020-10-21","18:00:00",""
"7043582","12.3721","0.0012","32.375","0.003","16.7696","0.0017","90","","91.629","0.005","90","","6714.3","1.1","190","2","190.15","","","","","","","","","9","P 1 21/n 1","-P 2yn","14","","","","- C62 H72 B2 Cl6 F2 N6 Ni2 O2 P4 -","- C62 H72 B2 Cl6 F2 N6 Ni2 O2 P4 -","- C248 H288 B8 Cl24 F8 N24 Ni8 O8 P16 -","4","1","","Lee, Kyounghoon; Donahue, Courtney M.; Daly, Scott R.","Triaminoborane-bridged diphosphine complexes with Ni and Pd: coordination chemistry, structures, and ligand-centered reactivity","Dalton Trans.","2017","","","","","10.1039/C7DT02144E","","","0.71073","MoKα","","0.0471","0.0378","","","0.0923","0.0982","","","","","","1.025","","","","has coordinates","198659","2020-10-21","18:00:00",""
"7043583","10.9172","0.0011","21.128","0.002","14.1842","0.0014","90","","110.222","0.005","90","","3070","0.5","190","2","190.15","","","","","","","","","8","P 1 21/c 1","-P 2ybc","14","","","","- C31 H36 B Cl2 N3 Ni O P2 -","- C31 H36 B Cl2 N3 Ni O P2 -","- C124 H144 B4 Cl8 N12 Ni4 O4 P8 -","4","1","","Lee, Kyounghoon; Donahue, Courtney M.; Daly, Scott R.","Triaminoborane-bridged diphosphine complexes with Ni and Pd: coordination chemistry, structures, and ligand-centered reactivity","Dalton Trans.","2017","","","","","10.1039/C7DT02144E","","","0.71073","MoKα","","0.0739","0.0408","","","0.1134","0.1391","","","","","","0.912","","","","has coordinates","198659","2020-10-21","18:00:00",""
"7043584","12.9178","0.0013","13.3011","0.0013","18.1092","0.0018","90","","104.019","0.005","90","","3018.9","0.5","190","2","190.15","","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C30 H32 B Cl2 N3 P2 Pd -","- C30 H32 B Cl2 N3 P2 Pd -","- C120 H128 B4 Cl8 N12 P8 Pd4 -","4","1","","Lee, Kyounghoon; Donahue, Courtney M.; Daly, Scott R.","Triaminoborane-bridged diphosphine complexes with Ni and Pd: coordination chemistry, structures, and ligand-centered reactivity","Dalton Trans.","2017","","","","","10.1039/C7DT02144E","","","0.71073","MoKα","","0.0294","0.0233","","","0.0508","0.0558","","","","","","1.079","","","","has coordinates","198659","2020-10-21","18:00:00",""
"7043585","10.9956","0.0011","21.129","0.002","14.3055","0.0014","90","","110.691","0.005","90","","3109.2","0.5","190","2","190.15","","","","","","","","","8","P 1 21/c 1","-P 2ybc","14","","","","- C31 H36 B Cl2 N3 O P2 Pd -","- C31 H36 B Cl2 N3 O P2 Pd -","- C124 H144 B4 Cl8 N12 O4 P8 Pd4 -","4","1","","Lee, Kyounghoon; Donahue, Courtney M.; Daly, Scott R.","Triaminoborane-bridged diphosphine complexes with Ni and Pd: coordination chemistry, structures, and ligand-centered reactivity","Dalton Trans.","2017","","","","","10.1039/C7DT02144E","","","0.71073","MoKα","","0.0466","0.0334","","","0.1117","0.1263","","","","","","0.949","","","","has coordinates","198659","2020-10-21","18:00:00",""
"7043586","21.8768","0.0013","18.2999","0.001","23.5924","0.0013","90","","90","","90","","9445.1","0.9","113","","113","","","","","","","","","6","P b c a","-P 2ac 2ab","61","","","","- C38 H36 F18 Gd N6 O10 -","- C38 H36 F18 Gd N6 O10 -","- C304 H288 F144 Gd8 N48 O80 -","8","1","","Sun, Juan; Yang, Meng; Sun, Zan; Fang, Xiufeng; Ma, Yue; Li, Licun","Unprecedented ferromagnetic Gd⋯nitronyl nitroxide coupling through hydrogen bonding bridge","Dalton Trans.","2017","","","","","10.1039/C7DT02232H","","","0.71073","MoKα","","0.0384","0.0337","","","0.0817","0.0848","","","","","","0.959","","","","has coordinates,has disorder","198660","2020-10-21","18:00:00",""
"7043587","5.5656","0.0003","8.5877","0.0004","12.2172","0.0007","95.751","0.004","98.795","0.003","101.942","0.003","559.3","0.05","173","2","172.99","","","","","","","","","5","P -1","-P 1","2","","","","- C9 H11 N5 O2 S -","- C9 H11 N5 O2 S -","- C18 H22 N10 O4 S2 -","2","1","","Yang, Jing; Dong, Chao; Kirk, Martin L.","Xanthine oxidase‒product complexes probe the importance of substrate/product orientation along the reaction coordinate","Dalton Trans.","2017","","","","","10.1039/C7DT01728F","","","0.71073","MoKα","","0.0588","0.0392","","","0.0887","0.0964","","","","","","1.039","","","","has coordinates","198661","2020-10-21","18:00:00",""
"7043588","10.32638","0.00012","19.9527","0.0003","35.0343","0.0005","90","","93.1002","0.0012","90","","7207.87","0.17","294","","294","","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C52 H38 F O13 Rh S32 -","- C52 H38 F O13 Rh S32 -","- C208 H152 F4 O52 Rh4 S128 -","4","0.5","","Martin, Lee; Morritt, Alexander L.; Lopez, Jordan R.; Nakazawa, Yasuhiro; Akutsu, Hiroki; Imajo, Shusaku; Ihara, Yoshihiko; Zhang, Bin; Zhang, Yan; Guo, Yanjun","Molecular conductors from bis(ethylenedithio)tetrathiafulvalene with tris(oxalato)rhodate","Dalton Trans.","2017","","","","","10.1039/C7DT00881C","","","0.71073","MoKα","","0.0451","0.0418","","0.0821","0.0813","0.0821","","","","","","0.8084","","","","has coordinates","198706","2020-10-21","18:00:00",""
"7043589","10.318","0.0003","20.0233","0.0004","35.1173","0.0006","90","","93.5628","0.0018","90","","7241.2","0.3","295","","295","","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C52 H38 Cl O13 Rh S32 -","- C52 H38 Cl O13 Rh S32 -","- C208 H152 Cl4 O52 Rh4 S128 -","4","0.5","","Martin, Lee; Morritt, Alexander L.; Lopez, Jordan R.; Nakazawa, Yasuhiro; Akutsu, Hiroki; Imajo, Shusaku; Ihara, Yoshihiko; Zhang, Bin; Zhang, Yan; Guo, Yanjun","Molecular conductors from bis(ethylenedithio)tetrathiafulvalene with tris(oxalato)rhodate","Dalton Trans.","2017","","","","","10.1039/C7DT00881C","","","0.71073","MoKα","","0.049","0.0452","","0.099","0.0971","0.099","","","","","","1.1027","","","","has coordinates","198706","2020-10-21","18:00:00",""
"7043590","10.43833","0.00016","19.6739","0.0003","35.9215","0.0006","90","","90","","90","","7376.9","0.2","292","","292","","","","","","","","","6","P b c n","-P 2n 2ab","60","","","","- C53 H41 N2 O12 Rh S32 -","- C53 H40 N2 O12 Rh S32 -","- C212 H160 N8 O48 Rh4 S128 -","4","0.5","","Martin, Lee; Morritt, Alexander L.; Lopez, Jordan R.; Nakazawa, Yasuhiro; Akutsu, Hiroki; Imajo, Shusaku; Ihara, Yoshihiko; Zhang, Bin; Zhang, Yan; Guo, Yanjun","Molecular conductors from bis(ethylenedithio)tetrathiafulvalene with tris(oxalato)rhodate","Dalton Trans.","2017","","","","","10.1039/C7DT00881C","","","0.71073","MoKα","","0.0596","0.058","","0.128","0.1272","0.128","","","","","","1.0478","","","","has coordinates","198706","2020-10-21","18:00:00",""
"7043591","10.3147","0.0002","20.0458","0.0004","35.2608","0.0006","90","","93.7457","0.0017","90","","7275.2","0.2","294","","294","","","","","","","","","7","C 1 2/c 1","-C 2yc","15","","","","- C52 H41 Br N O12 Rh S32 -","- C52 H41 Br N O12 Rh S32 -","- C208 H164 Br4 N4 O48 Rh4 S128 -","4","0.5","","Martin, Lee; Morritt, Alexander L.; Lopez, Jordan R.; Nakazawa, Yasuhiro; Akutsu, Hiroki; Imajo, Shusaku; Ihara, Yoshihiko; Zhang, Bin; Zhang, Yan; Guo, Yanjun","Molecular conductors from bis(ethylenedithio)tetrathiafulvalene with tris(oxalato)rhodate","Dalton Trans.","2017","","","","","10.1039/C7DT00881C","","","0.71073","MoKα","","0.0602","0.054","","0.1064","0.1035","0.1064","","","","","","1.1085","","","","has coordinates","198706","2020-10-21","18:00:00",""
"7043592","20.749","0.004","13.908","0.003","24.407","0.005","90","","104.01","0.03","90","","6834","3","293","2","293","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C56 H88 O22 Ti6 -","- C56 H76 O22 Ti6 -","- C224 H304 O88 Ti24 -","4","0.5","","Yang, Shen; Su, Hu-Chao; Hou, Jin-Le; Luo, Wen; Zou, Dan-Hong; Zhu, Qin-Yu; Dai, Jie","The effects of transition-metal doping and chromophore anchoring on the photocurrent response of titanium-oxo-clusters","Dalton Trans.","2017","","","","","10.1039/C7DT01603D","","","0.71073","MoKα","","0.0765","0.0633","","","0.1464","0.154","","","","","","1.163","","","","has coordinates,has disorder","198707","2020-10-21","18:00:00",""
"7043593","14.53","0.003","14.214","0.003","30.116","0.006","90","","101","0.03","90","","6106","2","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C88 H148 Mn2 O46 Ti12 -","- C88 H148 Mn2 O46 Ti12 -","- C176 H296 Mn4 O92 Ti24 -","2","0.5","","Yang, Shen; Su, Hu-Chao; Hou, Jin-Le; Luo, Wen; Zou, Dan-Hong; Zhu, Qin-Yu; Dai, Jie","The effects of transition-metal doping and chromophore anchoring on the photocurrent response of titanium-oxo-clusters","Dalton Trans.","2017","","","","","10.1039/C7DT01603D","","","0.71073","MoKα","","0.1178","0.0971","","","0.1642","0.1741","","","","","","1.164","","","","has coordinates,has disorder","198707","2020-10-21","18:00:00",""
"7043594","14.622","0.003","14.022","0.003","30.184","0.006","90","","101.25","0.03","90","","6070","2","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C88 H148 Co2 O46 Ti12 -","- C88 H148 Co2 O46 Ti12 -","- C176 H296 Co4 O92 Ti24 -","2","0.5","","Yang, Shen; Su, Hu-Chao; Hou, Jin-Le; Luo, Wen; Zou, Dan-Hong; Zhu, Qin-Yu; Dai, Jie","The effects of transition-metal doping and chromophore anchoring on the photocurrent response of titanium-oxo-clusters","Dalton Trans.","2017","","","","","10.1039/C7DT01603D","","","0.71073","MoKα","","0.1605","0.0969","","","0.15","0.173","","","","","","1.178","","","","has coordinates,has disorder","198707","2020-10-21","18:00:00",""
"7043595","14.6941","0.001","13.8919","0.0009","29.99","0.002","90","","100.884","0.002","90","","6011.7","0.7","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C88 H148 Ni2 O46 Ti12 -","- C88 H148 Ni2 O46 Ti12 -","- C176 H296 Ni4 O92 Ti24 -","2","0.5","","Yang, Shen; Su, Hu-Chao; Hou, Jin-Le; Luo, Wen; Zou, Dan-Hong; Zhu, Qin-Yu; Dai, Jie","The effects of transition-metal doping and chromophore anchoring on the photocurrent response of titanium-oxo-clusters","Dalton Trans.","2017","","","","","10.1039/C7DT01603D","","","0.71073","MoKα","","0.1903","0.0896","","","0.1537","0.1923","","","","","","1.096","","","","has coordinates,has disorder","198707","2020-10-21","18:00:00",""
"7043596","9.8866","0.0002","21.0534","0.0005","12.0079","0.0003","90","","94.878","0.002","90","","2490.35","0.1","103","2","103","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","YK_PPh_I","","- C27 H22 Cl2 I P -","- C27 H22 Cl2 I P -","- C108 H88 Cl8 I4 P4 -","4","1","","Koyanagi, Yoshinari; Kawaguchi, Shogo; Fujii, Kaori; Kimura, Yoshifumi; Sasamori, Takahiro; Tokitoh, Norihiro; Matano, Yoshihiro","Effects of counter anions, P-substituents, and solvents on optical and photophysical properties of 2-phenylbenzo[b]phospholium salts","Dalton Trans.","2017","","","","","10.1039/C7DT01839H","","","0.71075","MoKα","","0.0616","0.0377","","","0.082","0.0908","","","","","","1.043","","","","has coordinates","198709","2020-10-21","18:00:00",""
"7043597","9.0781","0.0004","10.6021","0.0005","11.4141","0.0004","76.15","0.003","87.971","0.003","86.907","0.003","1064.79","0.08","103","2","103","2","","","","","","","","5","P -1","-P 1","2","","YK_PR_PF6","","- C22 H20 F6 O P2 -","- C22 H20 F6 O P2 -","- C44 H40 F12 O2 P4 -","2","1","","Koyanagi, Yoshinari; Kawaguchi, Shogo; Fujii, Kaori; Kimura, Yoshifumi; Sasamori, Takahiro; Tokitoh, Norihiro; Matano, Yoshihiro","Effects of counter anions, P-substituents, and solvents on optical and photophysical properties of 2-phenylbenzo[b]phospholium salts","Dalton Trans.","2017","","","","","10.1039/C7DT01839H","","","0.71075","MoKα","","0.0375","0.037","","","0.0919","0.0923","","","","","","1.073","","","","has coordinates","198709","2020-10-21","18:00:00",""
"7043598","11.5651","0.0002","8.3208","0.0001","20.4281","0.0003","90","","94.8115","0.0009","90","","1958.89","0.05","103","2","103","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C21 H18 F6 P2 -","- C21 H18 F6 P2 -","- C84 H72 F24 P8 -","4","1","","Koyanagi, Yoshinari; Kawaguchi, Shogo; Fujii, Kaori; Kimura, Yoshifumi; Sasamori, Takahiro; Tokitoh, Norihiro; Matano, Yoshihiro","Effects of counter anions, P-substituents, and solvents on optical and photophysical properties of 2-phenylbenzo[b]phospholium salts","Dalton Trans.","2017","","","","","10.1039/C7DT01839H","","","0.71075","MoKα","","0.0424","0.041","","","0.0991","0.1001","","","","","","1.077","","","","has coordinates","198709","2020-10-21","18:00:00",""
"7043599","9.1887","0.0002","19.4913","0.0003","13.1164","0.0002","90","","101.323","0.0014","90","","2303.42","0.07","103","2","103","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","YK_PPh_PF6","","- C26 H20 F6 P2 -","- C26 H20 F6 P2 -","- C104 H80 F24 P8 -","4","1","","Koyanagi, Yoshinari; Kawaguchi, Shogo; Fujii, Kaori; Kimura, Yoshifumi; Sasamori, Takahiro; Tokitoh, Norihiro; Matano, Yoshihiro","Effects of counter anions, P-substituents, and solvents on optical and photophysical properties of 2-phenylbenzo[b]phospholium salts","Dalton Trans.","2017","","","","","10.1039/C7DT01839H","","","0.71075","MoKα","","0.0405","0.04","","","0.0958","0.0963","","","","","","1.06","","","","has coordinates","278046","2022-09-21","15:45:41",""
"7043600","9.4125","0.0001","22.553","0.0004","10.2457","0.0002","90","","116.738","0.0011","90","","1942.39","0.06","108","2","108","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","YK_PR_I","","- C22 H20 I O P -","- C22 H20 I O P -","- C88 H80 I4 O4 P4 -","4","1","","Koyanagi, Yoshinari; Kawaguchi, Shogo; Fujii, Kaori; Kimura, Yoshifumi; Sasamori, Takahiro; Tokitoh, Norihiro; Matano, Yoshihiro","Effects of counter anions, P-substituents, and solvents on optical and photophysical properties of 2-phenylbenzo[b]phospholium salts","Dalton Trans.","2017","","","","","10.1039/C7DT01839H","","","0.71075","MoKα","","0.0185","0.0168","","","0.0417","0.043","","","","","","1.103","","","","has coordinates","198709","2020-10-21","18:00:00",""
"7043601","9.19717","0.00017","19.179","0.0004","10.65593","0.00019","90","","102.343","0.007","90","","1836.18","0.08","103","","103","","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","YK_PMe_I","","- C21 H18 I P -","- C21 H18 I P -","- C84 H72 I4 P4 -","4","1","","Koyanagi, Yoshinari; Kawaguchi, Shogo; Fujii, Kaori; Kimura, Yoshifumi; Sasamori, Takahiro; Tokitoh, Norihiro; Matano, Yoshihiro","Effects of counter anions, P-substituents, and solvents on optical and photophysical properties of 2-phenylbenzo[b]phospholium salts","Dalton Trans.","2017","","","","","10.1039/C7DT01839H","","","0.71075","MoKα","","0.0228","0.0211","","","0.0516","0.0523","","","","","","1.145","","","","has coordinates","198709","2020-10-21","18:00:00",""
"7043602","8.448","0.007","7.737","0.006","12.2","0.01","90","","92.638","0.008","90","","796.6","1.1","566","2","566","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C2 H6 Dy O8 P -","- C2 H6 Dy O8 P -","- C8 H24 Dy4 O32 P4 -","4","1","","Han, Song-De; Li, Jinhua; Liu, Hao-Hao; Wang, Guo-Ming","Two hybrid lanthanides with large magnetocaloric effect and slow magnetic relaxation","Dalton Trans.","2017","","","","","10.1039/C7DT02233F","","","0.71073","MoKα","","0.0647","0.0623","","","0.1675","0.1696","","","","","","1.012","","","","has coordinates","198710","2020-10-21","18:00:00",""
"7043603","8.47","0.007","7.746","0.006","12.169","0.011","90","","92.917","0.01","90","","797.4","1.2","566","2","566","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C2 H6 Gd O8 P -","- C2 H6 Gd O8 P -","- C8 H24 Gd4 O32 P4 -","4","1","","Han, Song-De; Li, Jinhua; Liu, Hao-Hao; Wang, Guo-Ming","Two hybrid lanthanides with large magnetocaloric effect and slow magnetic relaxation","Dalton Trans.","2017","","","","","10.1039/C7DT02233F","","","0.71073","MoKα","","0.0493","0.0486","","","0.1084","0.1091","","","","","","1.133","","","","has coordinates","198710","2020-10-21","18:00:00",""
"7043604","10.2798","0.0009","12.567","0.001","16.933","0.002","102.774","0.008","99.633","0.007","92.7","0.007","2095.2","0.4","120","0.1","120","0.1","","","","","","","","8","P -1","-P 1","2","","","","- C44 H49 F6 Fe N4 O P Ru -","- C44 H49 F6 Fe N4 O P Ru -","- C88 H98 F12 Fe2 N8 O2 P2 Ru2 -","2","1","","Ruiz, Javier; García, Lucía; Vivanco, Marilín; Sol, Daniel; Garcia-Granda, Santiago","Half-sandwich iron(II) complexes with protic acyclic diaminocarbene ligands: synthesis, deprotonation and metalation reactions","Dalton Trans.","2017","","","","","10.1039/C7DT02049J","","","1.5418","CuKα","","0.0938","0.0539","","","0.1085","0.1298","","","","","","0.892","","","","has coordinates","198711","2020-10-21","18:00:00",""
"7043605","14.97","0.0004","11.9984","0.0003","23.074","0.0006","90","","115.888","0.003","90","","3728.56","0.19","100.2","0.2","100","0.2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C43 H41 Au Fe N3 O P -","- C43 H41 Au Fe N3 O P -","- C172 H164 Au4 Fe4 N12 O4 P4 -","4","1","","Ruiz, Javier; García, Lucía; Vivanco, Marilín; Sol, Daniel; Garcia-Granda, Santiago","Half-sandwich iron(II) complexes with protic acyclic diaminocarbene ligands: synthesis, deprotonation and metalation reactions","Dalton Trans.","2017","","","","","10.1039/C7DT02049J","","","1.54184","CuKα","","0.0714","0.0636","","","0.1498","0.1565","","","","","","1.163","","","","has coordinates","198711","2020-10-21","18:00:00",""
"7043606","25.0135","0.0006","10.895","0.0003","17.0457","0.0004","90","","90","","90","","4645.3","0.2","150","0.1","150","0.1","","","","","","","","9","P n a 21","P 2c -2n","33","","","","- C48 H58 Cl F6 Fe N4 O2 P Ru -","- C48 H58 Cl F6 Fe N4 O2 P Ru -","- C192 H232 Cl4 F24 Fe4 N16 O8 P4 Ru4 -","4","1","","Ruiz, Javier; García, Lucía; Vivanco, Marilín; Sol, Daniel; Garcia-Granda, Santiago","Half-sandwich iron(II) complexes with protic acyclic diaminocarbene ligands: synthesis, deprotonation and metalation reactions","Dalton Trans.","2017","","","","","10.1039/C7DT02049J","","","0.7107","MoKα","","0.091","0.0611","","","0.0902","0.0998","","","","","","1.054","","","","has coordinates","198711","2020-10-21","18:00:00",""
"7043607","9.875","0.005","30.125","0.005","20.458","0.005","90","","91.168","0.005","90","","6085","4","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C37 H24 N4 O2 Pd -","- C37 H24 N4 O2 Pd -","- C296 H192 N32 O16 Pd8 -","8","2","","Gupta, Rajeev; Kumar, Pramod; Kumar, Vijay","Detection of anticoagulant drug warfarin by palladium complexes","Dalton Trans.","2017","","","","","10.1039/C7DT01811H","","","0.71073","MoKα","","0.2203","0.1018","","","0.1768","0.2234","","","","","","1.024","","","","has coordinates","198737","2020-10-21","18:00:00",""
"7043608","9.4612","0.0004","9.1588","0.0003","14.045","0.0004","90","","108.333","0.004","90","","1155.27","0.07","293","2","293","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C26 H16 Co N2 O10 -","- C26 H16 Co N2 O10 -","- C52 H32 Co2 N4 O20 -","2","0.5","","Gu, Jinzhong; Liang, Xiaoxiao; Cai, Yan; Wu, Jiang; Shi, Zi-Fa; Kirillov, Alexander M.","Hydrothermal assembly, structures, topologies, luminescence, and magnetism of a novel series of coordination polymers driven by a trifunctional nicotinic acid building block","Dalton Trans.","2017","","","","","10.1039/C7DT01742A","","","0.71073","MoKα","","0.0419","0.0344","","","0.086","0.0927","","","","","","1.044","","","","has coordinates","198738","2020-10-21","18:00:00",""
"7043609","14.1855","0.0005","10.1391","0.0003","16.7657","0.0006","90","","108.483","0.004","90","","2287","0.14","","","","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C23 H19 Cd N3 O7 -","- C23 H19 Cd N3 O7 -","- C92 H76 Cd4 N12 O28 -","4","1","","Gu, Jinzhong; Liang, Xiaoxiao; Cai, Yan; Wu, Jiang; Shi, Zi-Fa; Kirillov, Alexander M.","Hydrothermal assembly, structures, topologies, luminescence, and magnetism of a novel series of coordination polymers driven by a trifunctional nicotinic acid building block","Dalton Trans.","2017","","","","","10.1039/C7DT01742A","","","","","","0.04","","","","","","","","","","","","","","","has coordinates","198738","2020-10-21","18:00:00",""
"7043610","13.6232","0.0004","7.9638","0.0003","23.9856","0.0007","90","","98.567","0.003","90","","2573.22","0.15","293","2","293","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C13 H9 Mn N O6 -","- C13 H9 Mn N O6 -","- C104 H72 Mn8 N8 O48 -","8","1","","Gu, Jinzhong; Liang, Xiaoxiao; Cai, Yan; Wu, Jiang; Shi, Zi-Fa; Kirillov, Alexander M.","Hydrothermal assembly, structures, topologies, luminescence, and magnetism of a novel series of coordination polymers driven by a trifunctional nicotinic acid building block","Dalton Trans.","2017","","","","","10.1039/C7DT01742A","","","0.71073","MoKα","","0.0343","0.0288","","","0.0667","0.0704","","","","","","1.078","","","","has coordinates","198738","2020-10-21","18:00:00",""
"7043611","7.4796","0.0005","10.1643","0.0007","15.5357","0.0009","95.151","0.005","92.019","0.005","111.113","0.006","1094.46","0.13","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C23 H19 Mn N3 O7 -","- C23 H19 Mn N3 O7 -","- C46 H38 Mn2 N6 O14 -","2","1","","Gu, Jinzhong; Liang, Xiaoxiao; Cai, Yan; Wu, Jiang; Shi, Zi-Fa; Kirillov, Alexander M.","Hydrothermal assembly, structures, topologies, luminescence, and magnetism of a novel series of coordination polymers driven by a trifunctional nicotinic acid building block","Dalton Trans.","2017","","","","","10.1039/C7DT01742A","","","0.71073","MoKα","","0.0648","0.044","","","0.0797","0.0921","","","","","","1.073","","","","has coordinates","198738","2020-10-21","18:00:00",""
"7043612","19.7135","0.0009","8.2535","0.0003","29.2012","0.0019","90","","108.334","0.006","90","","4510","0.4","293","2","293","2","","","","","","","","5","I 2/c 1 1","-I 2yc","15","","","","- C25 H19 N3 Ni O7 -","- C25 H19 N3 Ni O7 -","- C200 H152 N24 Ni8 O56 -","8","1","","Gu, Jinzhong; Liang, Xiaoxiao; Cai, Yan; Wu, Jiang; Shi, Zi-Fa; Kirillov, Alexander M.","Hydrothermal assembly, structures, topologies, luminescence, and magnetism of a novel series of coordination polymers driven by a trifunctional nicotinic acid building block","Dalton Trans.","2017","","","","","10.1039/C7DT01742A","","","0.71073","MoKα","","0.0704","0.0493","","","0.1404","0.1643","","","","","","1.017","","","","has coordinates","198738","2020-10-21","18:00:00",""
"7043613","15.3257","0.001","20.0375","0.001","24.9024","0.0019","90","","90","","90","","7647.2","0.9","293","2","293","2","","","","","","","","5","F d d 2","F 2 -2d","43","","","","- C36 H18 Mn N6 O11 -","- C36 H18 Mn N6 O11 -","- C288 H144 Mn8 N48 O88 -","8","0.5","","Gu, Jinzhong; Liang, Xiaoxiao; Cai, Yan; Wu, Jiang; Shi, Zi-Fa; Kirillov, Alexander M.","Hydrothermal assembly, structures, topologies, luminescence, and magnetism of a novel series of coordination polymers driven by a trifunctional nicotinic acid building block","Dalton Trans.","2017","","","","","10.1039/C7DT01742A","","","0.71073","MoKα","","0.121","0.0933","","","0.2635","0.3021","","","","","","1.083","","","","has coordinates,has disorder","198738","2020-10-21","18:00:00",""
"7043614","7.6886","0.0005","10.5629","0.0008","11.5519","0.0007","76.902","0.006","85.674","0.005","75.701","0.006","885.27","0.11","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C18 H13 N2 Ni O6 -","- C18 H13 N2 Ni O6 -","- C36 H26 N4 Ni2 O12 -","2","1","","Gu, Jinzhong; Liang, Xiaoxiao; Cai, Yan; Wu, Jiang; Shi, Zi-Fa; Kirillov, Alexander M.","Hydrothermal assembly, structures, topologies, luminescence, and magnetism of a novel series of coordination polymers driven by a trifunctional nicotinic acid building block","Dalton Trans.","2017","","","","","10.1039/C7DT01742A","","","0.71073","MoKα","","0.0496","0.0375","","","0.077","0.0834","","","","","","1.006","","","","has coordinates","198738","2020-10-21","18:00:00",""
"7043615","10.7701","0.0003","16.3976","0.0004","12.932","0.0004","90","","100.766","0.003","90","","2243.64","0.11","293","2","293","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C25 H17 N3 O6 Pb -","- C25 H17 N3 O6 Pb -","- C100 H68 N12 O24 Pb4 -","4","1","","Gu, Jinzhong; Liang, Xiaoxiao; Cai, Yan; Wu, Jiang; Shi, Zi-Fa; Kirillov, Alexander M.","Hydrothermal assembly, structures, topologies, luminescence, and magnetism of a novel series of coordination polymers driven by a trifunctional nicotinic acid building block","Dalton Trans.","2017","","","","","10.1039/C7DT01742A","","","0.71073","MoKα","","0.0407","0.0288","","","0.0623","0.0671","","","","","","1.066","","","","has coordinates","198738","2020-10-21","18:00:00",""
"7043616","10.9718","0.0003","12.3725","0.0003","15.8392","0.0005","90","","105.28","0.003","90","","2074.14","0.1","293","2","293","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C46 H30 N6 O10 Zn2 -","- C46 H30 N6 O10 Zn2 -","- C92 H60 N12 O20 Zn4 -","2","0.5","","Gu, Jinzhong; Liang, Xiaoxiao; Cai, Yan; Wu, Jiang; Shi, Zi-Fa; Kirillov, Alexander M.","Hydrothermal assembly, structures, topologies, luminescence, and magnetism of a novel series of coordination polymers driven by a trifunctional nicotinic acid building block","Dalton Trans.","2017","","","","","10.1039/C7DT01742A","","","0.71073","MoKα","","0.0507","0.0361","","","0.0793","0.0891","","","","","","1.036","","","","has coordinates","198738","2020-10-21","18:00:00",""
"7043617","27.1392","0.0007","8.22629","0.00018","19.7634","0.0005","90","","104.766","0.003","90","","4266.56","0.19","293","2","293","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C46 H36 N6 Ni2 O13 -","- C46 H36 N6 Ni2 O13 -","- C184 H144 N24 Ni8 O52 -","4","0.5","","Gu, Jinzhong; Liang, Xiaoxiao; Cai, Yan; Wu, Jiang; Shi, Zi-Fa; Kirillov, Alexander M.","Hydrothermal assembly, structures, topologies, luminescence, and magnetism of a novel series of coordination polymers driven by a trifunctional nicotinic acid building block","Dalton Trans.","2017","","","","","10.1039/C7DT01742A","","","0.71073","MoKα","","0.0444","0.0359","","","0.0758","0.0808","","","","","","1.075","","","","has coordinates","198738","2020-10-21","18:00:00",""
"7043618","7.1215","0.0005","17.7404","0.001","17.0416","0.0017","90","","98.33","0.008","90","","2130.3","0.3","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C23 H17 Cu N3 O6 -","- C23 H17 Cu N3 O6 -","- C92 H68 Cu4 N12 O24 -","4","1","","Gu, Jinzhong; Liang, Xiaoxiao; Cai, Yan; Wu, Jiang; Shi, Zi-Fa; Kirillov, Alexander M.","Hydrothermal assembly, structures, topologies, luminescence, and magnetism of a novel series of coordination polymers driven by a trifunctional nicotinic acid building block","Dalton Trans.","2017","","","","","10.1039/C7DT01742A","","","0.71073","MoKα","","0.1288","0.0616","","","0.0944","0.1272","","","","","","1.018","","","","has coordinates","198738","2020-10-21","18:00:00",""
"7043619","11.188","0.0007","12.1197","0.0005","16.2388","0.0014","90","","103.082","0.006","90","","2144.8","0.3","293","2","293","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C25 H15 N3 O5 Zn -","- C25 H15 N3 O5 Zn -","- C100 H60 N12 O20 Zn4 -","4","1","","Gu, Jinzhong; Liang, Xiaoxiao; Cai, Yan; Wu, Jiang; Shi, Zi-Fa; Kirillov, Alexander M.","Hydrothermal assembly, structures, topologies, luminescence, and magnetism of a novel series of coordination polymers driven by a trifunctional nicotinic acid building block","Dalton Trans.","2017","","","","","10.1039/C7DT01742A","","","0.71073","MoKα","","0.1309","0.0581","","","0.0763","0.1048","","","","","","1.035","","","","has coordinates","198738","2020-10-21","18:00:00",""
"7043620","6.1869","0.0008","8.2238","0.0013","26.24","0.004","90","","91.688","0.013","90","","1334.5","0.3","293","2","293","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C13 H11 Mn N O7 -","- C13 H11 Mn N O7 -","- C52 H44 Mn4 N4 O28 -","4","1","","Gu, Jinzhong; Liang, Xiaoxiao; Cai, Yan; Wu, Jiang; Shi, Zi-Fa; Kirillov, Alexander M.","Hydrothermal assembly, structures, topologies, luminescence, and magnetism of a novel series of coordination polymers driven by a trifunctional nicotinic acid building block","Dalton Trans.","2017","","","","","10.1039/C7DT01742A","","","0.71073","MoKα","","0.1136","0.071","","","0.1536","0.1893","","","","","","1.024","","","","has coordinates","198738","2020-10-21","18:00:00",""
"7043621","16.7756","0.0006","17.1514","0.0005","18.3118","0.0006","117.549","0.003","109.011","0.003","97.51","0.003","4160.4","0.3","150","2","150","2","","","","","","","","4","P -1","-P 1","2","3,17-diphenylethynyl-5,10,15-tripenylcorrolatocopper(II) cation radical","3,17-diphenylethynyl-5,10,15-tripenylcorrolatocopper(II) cation radical","","- C53 H31 Cu N4 -","- C53 H31 Cu N4 -","- C212 H124 Cu4 N16 -","4","2","","Yadav, Pinky; Muniappan, Sankar; Ke, Xiangyi; Cong, Lei; Kadish, Karl M.","Highly Reducible π-Extended Copper Corroles","Dalton Trans.","2017","","","","","10.1039/C7DT01814B","","","0.71073","MoKα","","0.1118","0.077","","","0.2206","0.2607","","","","","","0.986","","","","has coordinates","198739","2020-10-21","18:00:00",""
"7043622","16.4805","0.0005","12.7254","0.0004","20.9746","0.0006","90","","109.77","","90","","4139.5","0.2","296","2","296","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","[(NIT-2-Pm)Dy(hfac)3]0.5(C7H16)","","","- C29.5 H26 Dy F18 N4 O8 -","- C26 H18 Dy F18 N4 O8 -","- C104 H72 Dy4 F72 N16 O32 -","4","1","","Wang, Jian; Miao, Hao; Xiao, Zhao-Xin; Zhou, Yan; Deng, Lin-Dan; Zhang, Yiquan; Wang, Xin-Yi","Syntheses, Structures and Magnetic Properties of Lanthanide Complexes of the Pyrimidyl-Substituted Nitronyl Nitroxide Radical","Dalton Trans.","2017","","","","","10.1039/C7DT01037K","","","0.71073","MoKα","","0.0473","0.0293","","","0.0702","0.0771","","","","","","1.021","","","","has coordinates,has disorder","198740","2020-10-21","18:00:00",""
"7043623","16.467","0.003","12.566","0.002","21.111","0.004","90","","109.392","0.003","90","","4120.6","1.3","296","2","296","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","[(NIT-2-Pm)Ho(hfac)3]0.5(C7H16)","","","- C29.5 H26 F18 Ho N4 O8 -","- C26 H18 F18 Ho N4 O8 -","- C104 H72 F72 Ho4 N16 O32 -","4","1","","Wang, Jian; Miao, Hao; Xiao, Zhao-Xin; Zhou, Yan; Deng, Lin-Dan; Zhang, Yiquan; Wang, Xin-Yi","Syntheses, Structures and Magnetic Properties of Lanthanide Complexes of the Pyrimidyl-Substituted Nitronyl Nitroxide Radical","Dalton Trans.","2017","","","","","10.1039/C7DT01037K","","","0.71073","MoKα","","0.0522","0.0351","","","0.1055","0.1179","","","","","","1.056","","","","has coordinates,has disorder","198740","2020-10-21","18:00:00",""
"7043624","16.4875","0.0007","12.5863","0.0006","21.1614","0.0009","90","","109.531","0.001","90","","4138.7","0.3","296","2","296","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","[(NIT-2-Pm)Tb(hfac)3]0.5(C7H16)","","","- C29.5 H26 F18 N4 O8 Tb -","- C26 H18 F18 N4 O8 Tb -","- C104 H72 F72 N16 O32 Tb4 -","4","1","","Wang, Jian; Miao, Hao; Xiao, Zhao-Xin; Zhou, Yan; Deng, Lin-Dan; Zhang, Yiquan; Wang, Xin-Yi","Syntheses, Structures and Magnetic Properties of Lanthanide Complexes of the Pyrimidyl-Substituted Nitronyl Nitroxide Radical","Dalton Trans.","2017","","","","","10.1039/C7DT01037K","","","0.71073","MoKα","","0.0508","0.0346","","","0.0981","0.1079","","","","","","1.066","","","","has coordinates,has disorder","198740","2020-10-21","18:00:00",""
"7043625","27.622","0.003","24.365","0.003","23.015","0.004","90","","122.396","0.001","90","","13079","3","296","2","296","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","[(NIT-2-Pm)(Tb)2(hfac)6(H2O)2]0.5(C7H16)","","","- C44.5 H33 F36 N4 O16 Tb2 -","- C41 H25 F36 N4 O16 Tb2 -","- C328 H200 F288 N32 O128 Tb16 -","8","1","","Wang, Jian; Miao, Hao; Xiao, Zhao-Xin; Zhou, Yan; Deng, Lin-Dan; Zhang, Yiquan; Wang, Xin-Yi","Syntheses, Structures and Magnetic Properties of Lanthanide Complexes of the Pyrimidyl-Substituted Nitronyl Nitroxide Radical","Dalton Trans.","2017","","","","","10.1039/C7DT01037K","","","0.71073","MoKα","","0.1153","0.0742","","","0.1955","0.2378","","","","","","1.05","","","","has coordinates,has disorder","198740","2020-10-21","18:00:00",""
"7043626","27.5064","0.0015","24.312","0.0013","22.9255","0.0012","90","","122.34","0.001","90","","12953.1","1.2","296","2","296","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","[(NIT-2-Pm)(Ho)2(hfac)6(H2O)2]0.5(C7H16)","","","- C44.5 H33 F36 Ho2 N4 O16 -","- C41 H25 F36 Ho2 N4 O16 -","- C328 H200 F288 Ho16 N32 O128 -","8","1","","Wang, Jian; Miao, Hao; Xiao, Zhao-Xin; Zhou, Yan; Deng, Lin-Dan; Zhang, Yiquan; Wang, Xin-Yi","Syntheses, Structures and Magnetic Properties of Lanthanide Complexes of the Pyrimidyl-Substituted Nitronyl Nitroxide Radical","Dalton Trans.","2017","","","","","10.1039/C7DT01037K","","","0.71073","MoKα","","0.0713","0.0418","","","0.0968","0.1104","","","","","","1.046","","","","has coordinates,has disorder","198740","2020-10-21","18:00:00",""
"7043627","27.4821","0.0007","24.3232","0.0007","22.921","0.0006","90","","122.31","","90","","12949.3","0.6","296","2","296","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","[(NIT-2-Pm)(Er)2(hfac)6(H2O)2]0.5(C7H16)","","","- C44.5 H33 Er2 F36 N4 O16 -","- C41 H25 Er2 F36 N4 O16 -","- C328 H200 Er16 F288 N32 O128 -","8","1","","Wang, Jian; Miao, Hao; Xiao, Zhao-Xin; Zhou, Yan; Deng, Lin-Dan; Zhang, Yiquan; Wang, Xin-Yi","Syntheses, Structures and Magnetic Properties of Lanthanide Complexes of the Pyrimidyl-Substituted Nitronyl Nitroxide Radical","Dalton Trans.","2017","","","","","10.1039/C7DT01037K","","","0.71073","MoKα","","0.0661","0.0402","","","0.0996","0.1124","","","","","","1.016","","","","has coordinates,has disorder","198740","2020-10-21","18:00:00",""
"7043628","16.4699","0.0019","12.4439","0.0015","21.111","0.003","90","","109.655","0.002","90","","4074.6","0.9","296","2","296","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","[(NIT-2-Pm)Er(hfac)3]0.5(C7H16)","","","- C29.5 H26 Er F18 N4 O8 -","- C26 H18 Er F18 N4 O8 -","- C104 H72 Er4 F72 N16 O32 -","4","1","","Wang, Jian; Miao, Hao; Xiao, Zhao-Xin; Zhou, Yan; Deng, Lin-Dan; Zhang, Yiquan; Wang, Xin-Yi","Syntheses, Structures and Magnetic Properties of Lanthanide Complexes of the Pyrimidyl-Substituted Nitronyl Nitroxide Radical","Dalton Trans.","2017","","","","","10.1039/C7DT01037K","","","0.71073","MoKα","","0.0468","0.038","","","0.1233","0.1324","","","","","","1.032","","","","has coordinates,has disorder","198740","2020-10-21","18:00:00",""
"7043629","27.5783","0.0009","24.3847","0.0008","23.0032","0.0007","90","","122.293","0.001","90","","13076.7","0.7","296","2","296","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C41 H25 Dy2 F36 N4 O16 -","- C41 H25 Dy2 F36 N4 O16 -","- C328 H200 Dy16 F288 N32 O128 -","8","1","","Wang, Jian; Miao, Hao; Xiao, Zhao-Xin; Zhou, Yan; Deng, Lin-Dan; Zhang, Yiquan; Wang, Xin-Yi","Syntheses, Structures and Magnetic Properties of Lanthanide Complexes of the Pyrimidyl-Substituted Nitronyl Nitroxide Radical","Dalton Trans.","2017","","","","","10.1039/C7DT01037K","","","0.71073","MoKα","","0.0415","0.0278","","","0.0589","0.0626","","","","","","1.036","","","","has coordinates,has disorder","198740","2020-10-21","18:00:00",""
"7043630","8.5284","0.0002","19.4191","0.0006","15.7472","0.0004","90","","95.757","0.002","90","","2594.8","0.12","293","2","293","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C21 H16 B Cd N8 O6 -","- C21 H16 B Cd N8 O6 -","- C84 H64 B4 Cd4 N32 O24 -","4","1","","Chen, Shumei; Liu, Min; Xu, Guilan; Wen, Tian; Zhang, Jian","An Anionic Cd(II) Boron Imidazolate Framework with Reversible Structural Transformation and Biomolecular Sensing Properties","Dalton Trans.","2017","","","","","10.1039/C7DT02082A","","","1.54178","CuKα","","0.0526","0.0417","","","0.114","0.1304","","","","","","0.785","","","","has coordinates","198741","2020-10-21","18:00:00",""
"7043631","10.0847","0.0005","10.8676","0.0006","15.5684","0.0008","91.649","0.002","92.198","0.002","111.501","0.003","1584.65","0.15","89.9","0.2","89.9","0.2","","","","","","","","6","P 1","P 1","1","","","","- C35 H33 Cl2 Fe N3 O7 -","- C35 H33 Cl2 Fe N3 O7 -","- C70 H66 Cl4 Fe2 N6 O14 -","2","2","","Wieczorek, Anna; Błauż, Andrzej; Makal, Anna Maria; Rychlik, Blazej; Plazuk, Damian","Synthesis and evaluation of biological properties of ferrocenyl-podophyllotoxin conjugates","Dalton Trans.","2017","","","","","10.1039/C7DT02107K","","x-ray","0.71073","MoKα","","0.0272","0.0249","","","0.0614","0.0624","","","","","","1.036","","","","has coordinates","198742","2020-10-21","18:00:00",""
"7043632","22.729","0.003","17.2262","0.0018","8.1747","0.0012","90","","90","","90","","3200.7","0.7","113","2","113.15","","","","","","","","","8","P n m a","-P 2ac 2n","62","","","","- C29 H29 Br2 Cl2 N Ni O2 P2 -","- C29 H29 Br2 Cl2 N Ni O2 P2 -","- C116 H116 Br8 Cl8 N4 Ni4 O8 P8 -","4","0.5","","Song, Li-Cheng; Han, Xiao-Feng; Chen, Wei; Li, Jia-Peng; Wang, Xu-Yong","Dithiolato- and halogenido-bridged nickel-iron complexes related to the active site of [NiFe]-H2ases: preparation, structures, and electrocatalytic H2 production","Dalton Trans.","2017","","","","","10.1039/C7DT02203D","","","0.71073","MoKα","","0.0464","0.042","","","0.105","0.108","","","","","","1.102","","","","has coordinates,has disorder","198743","2020-10-21","18:00:00",""
"7043633","11.679","0.003","8.898","0.002","16.062","0.004","90","","91.789","0.005","90","","1668.3","0.7","113","2","113.15","","","","","","","","","7","P 1 21 1","P 2yb","4","","","","- C33 H31 Br2 Cl2 N Ni P2 -","- C33 H31 Br2 Cl2 N Ni P2 -","- C66 H62 Br4 Cl4 N2 Ni2 P4 -","2","1","","Song, Li-Cheng; Han, Xiao-Feng; Chen, Wei; Li, Jia-Peng; Wang, Xu-Yong","Dithiolato- and halogenido-bridged nickel-iron complexes related to the active site of [NiFe]-H2ases: preparation, structures, and electrocatalytic H2 production","Dalton Trans.","2017","","","","","10.1039/C7DT02203D","","","0.71073","MoKα","","0.054","0.0401","","","0.0533","0.0583","","","","","","0.817","","","","has coordinates,has disorder","198743","2020-10-21","18:00:00",""
"7043634","43.117","0.004","13.4841","0.0015","27.176","0.003","90","","119.734","0.008","90","","13720","3","113","2","113","2","","","","","","","","11","C 1 2/c 1","-C 2yc","15","","","","- C58 H55 B Br F4 Fe N Ni O3 P4 S2 -","- C58 H55 B Br F4 Fe N Ni O3 P4 S2 -","- C464 H440 B8 Br8 F32 Fe8 N8 Ni8 O24 P32 S16 -","8","1","","Song, Li-Cheng; Han, Xiao-Feng; Chen, Wei; Li, Jia-Peng; Wang, Xu-Yong","Dithiolato- and halogenido-bridged nickel-iron complexes related to the active site of [NiFe]-H2ases: preparation, structures, and electrocatalytic H2 production","Dalton Trans.","2017","","","","","10.1039/C7DT02203D","","","0.71075","MoKα","","0.0845","0.0637","","","0.1646","0.1799","","","","","","0.957","","","","has coordinates,has disorder","198743","2020-10-21","18:00:00",""
"7043635","8.8111","0.0017","21.39","0.004","15.11","0.003","90","","94.933","0.006","90","","2837.2","0.9","113","2","113.15","","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C28 H27 I2 N Ni O2 P2 -","- C28 H27 I2 N Ni O2 P2 -","- C112 H108 I8 N4 Ni4 O8 P8 -","4","1","","Song, Li-Cheng; Han, Xiao-Feng; Chen, Wei; Li, Jia-Peng; Wang, Xu-Yong","Dithiolato- and halogenido-bridged nickel-iron complexes related to the active site of [NiFe]-H2ases: preparation, structures, and electrocatalytic H2 production","Dalton Trans.","2017","","","","","10.1039/C7DT02203D","","","0.71073","MoKα","","0.028","0.0225","","","0.0497","0.0507","","","","","","0.923","","","","has coordinates","198743","2020-10-21","18:00:00",""
"7043636","8.901","0.0018","16.812","0.004","20.543","0.004","90","","90","","90","","3074.1","1.1","113","2","113.15","","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C32 H29 I2 N Ni P2 -","- C32 H29 I2 N Ni P2 -","- C128 H116 I8 N4 Ni4 P8 -","4","1","","Song, Li-Cheng; Han, Xiao-Feng; Chen, Wei; Li, Jia-Peng; Wang, Xu-Yong","Dithiolato- and halogenido-bridged nickel-iron complexes related to the active site of [NiFe]-H2ases: preparation, structures, and electrocatalytic H2 production","Dalton Trans.","2017","","","","","10.1039/C7DT02203D","","","0.71073","MoKα","","0.0232","0.0201","","","0.0389","0.0393","","","","","","0.878","","","","has coordinates","198743","2020-10-21","18:00:00",""
"7043637","13.58","0.003","22.475","0.005","25.33","0.005","102.9","0.03","105","0.03","106.05","0.03","6805","4","113","2","113.15","","","","","","","","","11","P -1","-P 1","2","","","","- C58 H55 B Cl F4 Fe N Ni O3 P4 S2 -","- C58 H55 B Cl F4 Fe N Ni O3 P4 S2 -","- C232 H220 B4 Cl4 F16 Fe4 N4 Ni4 O12 P16 S8 -","4","2","","Song, Li-Cheng; Han, Xiao-Feng; Chen, Wei; Li, Jia-Peng; Wang, Xu-Yong","Dithiolato- and halogenido-bridged nickel-iron complexes related to the active site of [NiFe]-H2ases: preparation, structures, and electrocatalytic H2 production","Dalton Trans.","2017","","","","","10.1039/C7DT02203D","","","0.71073","MoKα","","0.0708","0.0517","","","0.133","0.1462","","","","","","1.028","","","","has coordinates","198743","2020-10-21","18:00:00",""
"7043638","28.5136","0.0002","12.2629","0.0012","18.5071","0.0017","90","","90.955","0.008","90","","6470.3","0.9","99.7","0.4","99.7","0.4","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C34 H30 N6 O7 V2 -","- C34 H30 N6 O7 V2 -","- C272 H240 N48 O56 V16 -","8","2","","Biswas, Nirmalendu; Patra, Debashis; Mondal, Bipul; Bera, Sachinath; Acharyya, Swarnali; Biswas, Anup Kumar; Mukhopadhyay, Titas Kumar; Pal, Amrita; Drew, Michael G. B.; Ghosh, Tapas","Exploring the effect of hydroxylic and non-hydroxylic solvents on the reaction of [VIVO(β-diketonate)2] with 2-Aminobenzoylhydrazide in aerobic and anaerobic conditions. Valence delocalisation in mixed-valence VIV-O-VV species","Dalton Trans.","2017","","","","","10.1039/C7DT01776F","","x-ray","0.71073","MoKα","","0.0448","0.0366","","","0.0994","0.0942","","","","","","0.908","","","","has coordinates","198744","2020-10-21","18:00:00",""
"7043639","9.947","0.002","7.6029","0.0014","10.88","0.002","90","","116.24","0.03","90","","738","0.3","150","2","150","2","","","","","","","","4","P 1 n 1","P -2yac","7","","","","- C17 H17 N3 O2 -","- C17 H17 N3 O2 -","- C34 H34 N6 O4 -","2","1","","Biswas, Nirmalendu; Patra, Debashis; Mondal, Bipul; Bera, Sachinath; Acharyya, Swarnali; Biswas, Anup Kumar; Mukhopadhyay, Titas Kumar; Pal, Amrita; Drew, Michael G. B.; Ghosh, Tapas","Exploring the effect of hydroxylic and non-hydroxylic solvents on the reaction of [VIVO(β-diketonate)2] with 2-Aminobenzoylhydrazide in aerobic and anaerobic conditions. Valence delocalisation in mixed-valence VIV-O-VV species","Dalton Trans.","2017","","","","","10.1039/C7DT01776F","","","0.71073","MoKα","","0.0561","0.0437","","","0.0903","0.0964","","","","","","1.028","","","","has coordinates","198744","2020-10-21","18:00:00",""
"7043640","18.773","0.007","11.663","0.005","7.923","0.003","90","","90.88","0.01","90","","1734.5","1.2","150","2","150","2","","","","","","","","5","C 1 c 1","C -2yc","9","","","","- C18 H18 N3 O4 V -","- C18 H18 N3 O4 V -","- C72 H72 N12 O16 V4 -","4","1","","Biswas, Nirmalendu; Patra, Debashis; Mondal, Bipul; Bera, Sachinath; Acharyya, Swarnali; Biswas, Anup Kumar; Mukhopadhyay, Titas Kumar; Pal, Amrita; Drew, Michael G. B.; Ghosh, Tapas","Exploring the effect of hydroxylic and non-hydroxylic solvents on the reaction of [VIVO(β-diketonate)2] with 2-Aminobenzoylhydrazide in aerobic and anaerobic conditions. Valence delocalisation in mixed-valence VIV-O-VV species","Dalton Trans.","2017","","","","","10.1039/C7DT01776F","","","0.71073","MoKα","","0.1056","0.0761","","","0.1796","0.2053","","","","","","1.028","","","","has coordinates","198744","2020-10-21","18:00:00",""
"7043641","27.4802","0.0012","10.0832","0.0004","23.3528","0.0011","90","","111.094","0.005","90","","6037.2","0.5","100","2","100","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C34 H30 N6 O4 V -","- C34 H30 N6 O4 V -","- C272 H240 N48 O32 V8 -","8","1","","Biswas, Nirmalendu; Patra, Debashis; Mondal, Bipul; Bera, Sachinath; Acharyya, Swarnali; Biswas, Anup Kumar; Mukhopadhyay, Titas Kumar; Pal, Amrita; Drew, Michael G. B.; Ghosh, Tapas","Exploring the effect of hydroxylic and non-hydroxylic solvents on the reaction of [VIVO(β-diketonate)2] with 2-Aminobenzoylhydrazide in aerobic and anaerobic conditions. Valence delocalisation in mixed-valence VIV-O-VV species","Dalton Trans.","2017","","","","","10.1039/C7DT01776F","","","0.71073","MoKα","","0.0481","0.0437","","","0.1101","0.1144","","","","","","1.033","","","","has coordinates","198744","2020-10-21","18:00:00",""
"7043642","10.969","0.003","12.522","0.003","20.839","0.006","90","","90","","90","","2862.3","1.3","293","2","293","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C26 H32 N6 O8 V2 -","- C26 H32 N6 O8 V2 -","- C104 H128 N24 O32 V8 -","4","0.5","","Biswas, Nirmalendu; Patra, Debashis; Mondal, Bipul; Bera, Sachinath; Acharyya, Swarnali; Biswas, Anup Kumar; Mukhopadhyay, Titas Kumar; Pal, Amrita; Drew, Michael G. B.; Ghosh, Tapas","Exploring the effect of hydroxylic and non-hydroxylic solvents on the reaction of [VIVO(β-diketonate)2] with 2-Aminobenzoylhydrazide in aerobic and anaerobic conditions. Valence delocalisation in mixed-valence VIV-O-VV species","Dalton Trans.","2017","","","","","10.1039/C7DT01776F","","","0.71073","MoKα","","0.0372","0.0319","","","0.0906","0.0938","","","","","","1.066","","","","has coordinates","198744","2020-10-21","18:00:00",""
"7043643","12.3336","0.0006","13.7435","0.0006","19.1836","0.0008","82.349","0.004","76.412","0.004","86.564","0.004","3131.2","0.2","153","2","153","2","","","","","","","","9","P -1","-P 1","2","","","","- C65 H38 B F24 Fe N2 O3 P S -","- C65 H38 B F24 Fe N2 O3 P S -","- C130 H76 B2 F48 Fe2 N4 O6 P2 S2 -","2","1","","Xie, Zhu-Lin; Durgaprasad, Gummadi; Ali, Azim K.; Rose, Michael J.","Substitution reactions of iron(ii) carbamoyl-thioether complexes related to mono-iron hydrogenase","Dalton Trans.","2017","","","","","10.1039/C7DT01696D","","","1.54184","CuKα","","0.0722","0.0505","","","0.119","0.1348","","","","","","1.033","","","","has coordinates,has disorder","198772","2020-10-21","18:00:00",""
"7043644","14.111","0.0009","13.742","0.0008","19.9776","0.0012","90","","104.537","0.006","90","","3749.9","0.4","100","2","100","2","","","","","","","","9","P 1 2/n 1","-P 2yac","13","","","","- C36 H34 Br Cl4 Fe N2 O2 P S -","- C36 H34 Br Cl4 Fe N2 O2 P S -","- C144 H136 Br4 Cl16 Fe4 N8 O8 P4 S4 -","4","1","","Xie, Zhu-Lin; Durgaprasad, Gummadi; Ali, Azim K.; Rose, Michael J.","Substitution reactions of iron(ii) carbamoyl-thioether complexes related to mono-iron hydrogenase","Dalton Trans.","2017","","","","","10.1039/C7DT01696D","","","1.54184","CuKα","","0.05","0.0474","","","0.1255","0.128","","","","","","1.035","","","","has coordinates,has disorder","198772","2020-10-21","18:00:00",""
"7043645","12.2647","0.0013","18.6289","0.0019","24.731","0.003","90.896","0.003","95.597","0.002","95.427","0.003","5596.6","1.1","153","2","153","2","","","","","","","","10","P -1","-P 1","2","","","","- C101 H66 B2 Cl2 F48 Fe2 N4 O6 P2 S2 -","- C101 H66 B2 Cl2 F48 Fe2 N4 O6 P2 S2 -","- C202 H132 B4 Cl4 F96 Fe4 N8 O12 P4 S4 -","2","1","","Xie, Zhu-Lin; Durgaprasad, Gummadi; Ali, Azim K.; Rose, Michael J.","Substitution reactions of iron(ii) carbamoyl-thioether complexes related to mono-iron hydrogenase","Dalton Trans.","2017","","","","","10.1039/C7DT01696D","","","0.71073","MoKα","","0.1265","0.0831","","","0.1697","0.1917","","","","","","1.055","","","","has coordinates,has disorder","198772","2020-10-21","18:00:00",""
"7043646","17.0361","0.0006","14.2521","0.0005","26.0871","0.0009","90","","90.091","0.003","90","","6333.9","0.4","100","2","100","2","","","","","","","","7","I 1 2/a 1","-I 2ya","15","","","","- C16.33 H15.33 Cl2 Fe0.67 N1.33 O2 S1.33 -","- C16.3333 H15.3333 Cl2 Fe0.666667 N1.33333 O2 S1.33333 -","- C196 H184 Cl24 Fe8 N16 O24 S16 -","12","1.5","","Xie, Zhu-Lin; Durgaprasad, Gummadi; Ali, Azim K.; Rose, Michael J.","Substitution reactions of iron(ii) carbamoyl-thioether complexes related to mono-iron hydrogenase","Dalton Trans.","2017","","","","","10.1039/C7DT01696D","","","1.54184","CuKα","","0.096","0.0719","","","0.1838","0.2048","","","","","","1.024","","","","has coordinates,has disorder","198772","2020-10-21","18:00:00",""
"7043647","12.623","0.0004","13.1564","0.0003","19.216","0.0004","98.635","0.002","98.815","0.002","99.964","0.002","3054.41","0.14","100","2","100","2","","","","","","","","8","P -1","-P 1","2","","","","- C62 H38 B F25 Fe N4 O2 S -","- C62 H38 B F25 Fe N4 O2 S -","- C124 H76 B2 F50 Fe2 N8 O4 S2 -","2","1","","Xie, Zhu-Lin; Durgaprasad, Gummadi; Ali, Azim K.; Rose, Michael J.","Substitution reactions of iron(ii) carbamoyl-thioether complexes related to mono-iron hydrogenase","Dalton Trans.","2017","","","","","10.1039/C7DT01696D","","","1.54184","CuKα","","0.079","0.0524","","","0.1307","0.1429","","","","","","1.032","","","","has coordinates","198772","2020-10-21","18:00:00",""
"7043648","13.038","0.001","14.2685","0.0011","16.8688","0.0013","89.575","0.002","71.762","0.002","79.118","0.002","2922.4","0.4","153","2","153","2","","","","","","","","9","P -1","-P 1","2","","","","- C55 H34 B Cl3 F24 Fe N3 O3 S -","- C55 H34 B Cl3 F24 Fe N3 O3 S -","- C110 H68 B2 Cl6 F48 Fe2 N6 O6 S2 -","2","1","","Xie, Zhu-Lin; Durgaprasad, Gummadi; Ali, Azim K.; Rose, Michael J.","Substitution reactions of iron(ii) carbamoyl-thioether complexes related to mono-iron hydrogenase","Dalton Trans.","2017","","","","","10.1039/C7DT01696D","","","0.71073","MoKα","","0.16","0.0838","","","0.1446","0.1761","","","","","","1.029","","","","has coordinates","198772","2020-10-21","18:00:00",""
"7043649","14.5766","0.001","17.7215","0.0013","18.8505","0.0013","87.007","0.002","70.413","0.002","68.967","0.002","4269.1","0.5","100","2","100","2","","","","","","","","9","P -1","-P 1","2","","","","- C82 H53 B F24 Fe N2 O2 P2 S -","- C82 H53 B F24 Fe N2 O2 P2 S -","- C164 H106 B2 F48 Fe2 N4 O4 P4 S2 -","2","1","","Xie, Zhu-Lin; Durgaprasad, Gummadi; Ali, Azim K.; Rose, Michael J.","Substitution reactions of iron(ii) carbamoyl-thioether complexes related to mono-iron hydrogenase","Dalton Trans.","2017","","","","","10.1039/C7DT01696D","","","0.71073","MoKα","","0.0716","0.0537","","","0.132","0.1423","","","","","","1.05","","","","has coordinates,has disorder","198772","2020-10-21","18:00:00",""
"7043650","9.7866","0.0012","16.118","0.003","10.6175","0.0017","90","","102.42","0.013","90","","1635.6","0.5","153","2","153","2","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C15 H11 Br Fe N2 O3 S -","- C15 H11 Br Fe N2 O3 S -","- C60 H44 Br4 Fe4 N8 O12 S4 -","4","1","","Xie, Zhu-Lin; Durgaprasad, Gummadi; Ali, Azim K.; Rose, Michael J.","Substitution reactions of iron(ii) carbamoyl-thioether complexes related to mono-iron hydrogenase","Dalton Trans.","2017","","","","","10.1039/C7DT01696D","","","1.54184","CuKα","","0.1093","0.069","","","0.1577","0.1863","","","","","","1.014","","","","has coordinates","198772","2020-10-21","18:00:00",""
"7043651","7.8618","0.0007","13.0402","0.0011","19.3301","0.0015","90","","90","","90","","1981.7","0.3","173","2","173","2","","","","","","","","8","P 21 21 21","P 2ac 2ab","19","","","","- C17 H14 B F4 Fe N3 O3 S -","- C17 H14 B F4 Fe N3 O3 S -","- C68 H56 B4 F16 Fe4 N12 O12 S4 -","4","1","","Xie, Zhu-Lin; Durgaprasad, Gummadi; Ali, Azim K.; Rose, Michael J.","Substitution reactions of iron(ii) carbamoyl-thioether complexes related to mono-iron hydrogenase","Dalton Trans.","2017","","","","","10.1039/C7DT01696D","","","0.71073","MoKα","","0.0226","0.0219","","","0.0539","0.0542","","","","","","1.124","","","","has coordinates","198772","2020-10-21","18:00:00",""
"7043652","9.5172","0.0015","9.1962","0.0009","17.797","0.002","90","","97.375","0.009","90","","1544.7","0.3","103","2","103","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C6 H22 Cl5 Cu N3 O2 -","- C6 H22 Cl5 Cu N3 O2 -","- C24 H88 Cl20 Cu4 N12 O8 -","4","1","","Wang, Zhongxia; Lu, Yang; Zafar, Zainab; Liu, Yu-Ling; Chen, Hai-Peng; Ge, Jia-Zhen","Sequential dielectric phase transitions induced by the vibrations of water molecules in an organic-inorganic hybrid halide (N-(2-ammoniumethyl)piperazinium) CuCl5·2H2O","Dalton Trans.","2017","","","","","10.1039/C7DT01378G","","","0.71073","MoKα","","0.0616","0.0505","","","0.0939","0.098","","","","","","1.119","","","","has coordinates","198773","2020-10-21","18:00:00",""
"7043653","9.538","0.004","9.165","0.004","17.786","0.008","90","","97.736","0.006","90","","1540.6","1.2","193","2","193","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C6 H22 Cl5 Cu N3 O2 -","- C6 H22 Cl5 Cu N3 O2 -","- C24 H88 Cl20 Cu4 N12 O8 -","4","1","","Wang, Zhongxia; Lu, Yang; Zafar, Zainab; Liu, Yu-Ling; Chen, Hai-Peng; Ge, Jia-Zhen","Sequential dielectric phase transitions induced by the vibrations of water molecules in an organic-inorganic hybrid halide (N-(2-ammoniumethyl)piperazinium) CuCl5·2H2O","Dalton Trans.","2017","","","","","10.1039/C7DT01378G","","","0.71073","MoKα","","0.0383","0.0348","","","0.0915","0.0938","","","","","","1.093","","","","has coordinates","198773","2020-10-21","18:00:00",""
"7043654","9.509","0.006","9.215","0.005","17.794","0.011","90","","97.303","0.01","90","","1546.6","1.6","103","2","103","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C6 H22 Cl5 Cu N3 O2 -","- C6 H22 Cl5 Cu N3 O2 -","- C24 H88 Cl20 Cu4 N12 O8 -","4","1","","Wang, Zhongxia; Lu, Yang; Zafar, Zainab; Liu, Yu-Ling; Chen, Hai-Peng; Ge, Jia-Zhen","Sequential dielectric phase transitions induced by the vibrations of water molecules in an organic-inorganic hybrid halide (N-(2-ammoniumethyl)piperazinium) CuCl5·2H2O","Dalton Trans.","2017","","","","","10.1039/C7DT01378G","","","0.71073","MoKα","","0.0626","0.05","","","0.1048","0.1104","","","","","","1.088","","","","has coordinates","198773","2020-10-21","18:00:00",""
"7043655","9.5904","0.0019","9.2794","0.0019","18.072","0.004","90","","98.15","0.03","90","","1592","0.6","293","2","293","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C6 H22 Cl5 Cu N3 O2 -","- C6 H22 Cl5 Cu N3 O2 -","- C24 H88 Cl20 Cu4 N12 O8 -","4","1","","Wang, Zhongxia; Lu, Yang; Zafar, Zainab; Liu, Yu-Ling; Chen, Hai-Peng; Ge, Jia-Zhen","Sequential dielectric phase transitions induced by the vibrations of water molecules in an organic-inorganic hybrid halide (N-(2-ammoniumethyl)piperazinium) CuCl5·2H2O","Dalton Trans.","2017","","","","","10.1039/C7DT01378G","","","0.71073","MoKα","","0.1052","0.0772","","","0.2158","0.2761","","","","","","1.081","","","","has coordinates","198773","2020-10-21","18:00:00",""
"7043656","9.598","0.0019","9.2921","0.0019","18.051","0.004","90","","98.01","0.03","90","","1594.2","0.6","293","2","293","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C6 H22 Cl5 Cu N3 O2 -","- C6 H22 Cl5 Cu N3 O2 -","- C24 H88 Cl20 Cu4 N12 O8 -","4","1","","Wang, Zhongxia; Lu, Yang; Zafar, Zainab; Liu, Yu-Ling; Chen, Hai-Peng; Ge, Jia-Zhen","Sequential dielectric phase transitions induced by the vibrations of water molecules in an organic-inorganic hybrid halide (N-(2-ammoniumethyl)piperazinium) CuCl5·2H2O","Dalton Trans.","2017","","","","","10.1039/C7DT01378G","","","0.71073","MoKα","","0.05","0.0407","","","0.0915","0.095","","","","","","1.114","","","","has coordinates","198773","2020-10-21","18:00:00",""
"7043657","9.551","0.0012","9.2511","0.0012","17.878","0.003","90","","97.503","0.009","90","","1566.1","0.4","213","2","213","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C6 H22 Cl5 Cu N3 O2 -","- C6 H22 Cl5 Cu N3 O2 -","- C24 H88 Cl20 Cu4 N12 O8 -","4","1","","Wang, Zhongxia; Lu, Yang; Zafar, Zainab; Liu, Yu-Ling; Chen, Hai-Peng; Ge, Jia-Zhen","Sequential dielectric phase transitions induced by the vibrations of water molecules in an organic-inorganic hybrid halide (N-(2-ammoniumethyl)piperazinium) CuCl5·2H2O","Dalton Trans.","2017","","","","","10.1039/C7DT01378G","","","0.71073","MoKα","","0.0704","0.0542","","","0.1147","0.1216","","","","","","1.103","","","","has coordinates","198773","2020-10-21","18:00:00",""
"7043658","9.5462","0.0004","10.7017","0.0007","16.051","0.001","100.877","0.002","95.356","0.004","112.76","0.003","1459.66","0.15","150","2","150","2","","","","","","","synthesized by the authors","5","P -1","-P 1","2","","","","- C20 H44 N5 O16 P -","- C20 H44 N5 O16 P -","- C40 H88 N10 O32 P2 -","2","1","","Prochazkova, Sona; Kubicek, Vojtech; Bohmova, Zuzana; Holà, Katerina; Kotek, Jan; Hermann, Petr","DOTA analogue with phosphinate-iminodiacetate pendant arm: modification of complex formation rate with a strongly chelating pendant","Dalton Trans.","2017","","","","","10.1039/C7DT01797A","","","0.71073","MoKα","","0.1119","0.0728","","","0.2071","0.237","","","","","","1.023","","","","has coordinates,has disorder","198774","2020-10-21","18:00:00",""
"7043659","12.0847","0.0005","12.4493","0.0005","12.9847","0.0005","85.606","0.002","78.603","0.002","86.931","0.002","1907.87","0.13","150","2","150","2","","","","","","","synthesized by the authors","7","P -1","-P 1","2","","","","- C20 H54 Cl Cu4 N5 O24.5 P -","- C20 H54 Cl Cu4 N5 O24.5 P -","- C40 H108 Cl2 Cu8 N10 O49 P2 -","2","1","","Prochazkova, Sona; Kubicek, Vojtech; Bohmova, Zuzana; Holà, Katerina; Kotek, Jan; Hermann, Petr","DOTA analogue with phosphinate-iminodiacetate pendant arm: modification of complex formation rate with a strongly chelating pendant","Dalton Trans.","2017","","","","","10.1039/C7DT01797A","","","0.71073","MoKα","","0.0489","0.0404","","","0.0977","0.1042","","","","","","1.125","","","","has coordinates","198774","2020-10-21","18:00:00",""
"7043660","8.0291","0.0005","19.2541","0.0012","16.7664","0.0011","90","","101.653","0.001","90","","2538.5","0.3","100","2","100","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C24 H34 Mn N5 O6 -","- C24 H34 Mn N5 O6 -","- C96 H136 Mn4 N20 O24 -","4","1","","Wang, Shi; Li, Ya-Juan; Ju, Fei-Fei; Xu, Wu-Tan; Kagesawa, Koichi; Li, Yong-hua; Yamashita, Masahiro; Huang, Wei","The molecular and supramolecular aspects in mononuclear manganese(III) Schiff-base spin crossover complexes","Dalton Trans.","2017","","","","","10.1039/C7DT01718A","","","0.71073","MoKα","","0.0565","0.0461","","","0.0982","0.106","","","","","","1.211","","","","has coordinates","198775","2020-10-21","18:00:00",""
"7043661","8.284","0.0007","17.2411","0.0015","17.8357","0.0016","90","","90","","90","","2547.4","0.4","164","2","164","2","","","","","","","","7","P 21 21 21","P 2ac 2ab","19","","","","- C22 H28 As F6 Mn N4 O2 -","- C22 H28 As F6 Mn N4 O2 -","- C88 H112 As4 F24 Mn4 N16 O8 -","4","1","","Wang, Shi; Li, Ya-Juan; Ju, Fei-Fei; Xu, Wu-Tan; Kagesawa, Koichi; Li, Yong-hua; Yamashita, Masahiro; Huang, Wei","The molecular and supramolecular aspects in mononuclear manganese(III) Schiff-base spin crossover complexes","Dalton Trans.","2017","","","","","10.1039/C7DT01718A","","","0.71073","MoKα","","0.0468","0.0433","","","0.1084","0.1105","","","","","","1.12","","","","has coordinates","198775","2020-10-21","18:00:00",""
"7043662","8.2287","0.0011","17.549","0.002","18.186","0.003","90","","90","","90","","2626.2","0.6","295","2","295","2","","","","","","","","7","P 21 21 21","P 2ac 2ab","19","","","","- C22 H28 As F6 Mn N4 O2 -","- C22 H28 As F6 Mn N4 O2 -","- C88 H112 As4 F24 Mn4 N16 O8 -","4","1","","Wang, Shi; Li, Ya-Juan; Ju, Fei-Fei; Xu, Wu-Tan; Kagesawa, Koichi; Li, Yong-hua; Yamashita, Masahiro; Huang, Wei","The molecular and supramolecular aspects in mononuclear manganese(III) Schiff-base spin crossover complexes","Dalton Trans.","2017","","","","","10.1039/C7DT01718A","","","0.71073","MoKα","","0.0915","0.063","","","0.1666","0.1817","","","","","","1.006","","","","has coordinates","198775","2020-10-21","18:00:00",""
"7043663","7.5805","0.001","16.0064","0.0019","17.325","0.002","90","","90","","90","","2102.2","0.4","100","2","100","2","","","","","","","","6","P c c n","-P 2ab 2ac","56","","","","- C22 H28 Cl Mn N4 O2 -","- C22 H28 Cl Mn N4 O2 -","- C88 H112 Cl4 Mn4 N16 O8 -","4","0.5","","Wang, Shi; Li, Ya-Juan; Ju, Fei-Fei; Xu, Wu-Tan; Kagesawa, Koichi; Li, Yong-hua; Yamashita, Masahiro; Huang, Wei","The molecular and supramolecular aspects in mononuclear manganese(III) Schiff-base spin crossover complexes","Dalton Trans.","2017","","","","","10.1039/C7DT01718A","","","0.71073","MoKα","","0.0697","0.0647","","","0.1321","0.1352","","","","","","1.418","","","","has coordinates","198775","2020-10-21","18:00:00",""
"7043664","11.661","0.004","8.205","0.003","13.538","0.004","90","","94.153","0.007","90","","1291.9","0.8","295","2","295","2","","","","","","","","7","P 1 2/n 1","-P 2yac","13","","","","- C22 H28 F6 Mn N4 O2 Sb -","- C22 H28 F6 Mn N4 O2 Sb -","- C44 H56 F12 Mn2 N8 O4 Sb2 -","2","0.5","","Wang, Shi; Li, Ya-Juan; Ju, Fei-Fei; Xu, Wu-Tan; Kagesawa, Koichi; Li, Yong-hua; Yamashita, Masahiro; Huang, Wei","The molecular and supramolecular aspects in mononuclear manganese(III) Schiff-base spin crossover complexes","Dalton Trans.","2017","","","","","10.1039/C7DT01718A","","","0.71073","MoKα","","0.036","0.0338","","","0.0789","0.0799","","","","","","1.119","","","","has coordinates","198775","2020-10-21","18:00:00",""
"7043665","8.2852","0.0005","17.2151","0.001","17.7965","0.0011","90","","90","","90","","2538.3","0.3","146","2","146","2","","","","","","","","7","P 21 21 21","P 2ac 2ab","19","","","","- C22 H28 As F6 Mn N4 O2 -","- C22 H28 As F6 Mn N4 O2 -","- C88 H112 As4 F24 Mn4 N16 O8 -","4","1","","Wang, Shi; Li, Ya-Juan; Ju, Fei-Fei; Xu, Wu-Tan; Kagesawa, Koichi; Li, Yong-hua; Yamashita, Masahiro; Huang, Wei","The molecular and supramolecular aspects in mononuclear manganese(III) Schiff-base spin crossover complexes","Dalton Trans.","2017","","","","","10.1039/C7DT01718A","","","0.71073","MoKα","","0.0403","0.0328","","","0.0978","0.1059","","","","","","0.852","","","","has coordinates","198775","2020-10-21","18:00:00",""
"7043666","11.5228","0.0012","8.1611","0.0009","13.4565","0.0014","90","","93.442","0.002","90","","1263.1","0.2","100","2","100","2","","","","","","","","7","P 1 2/n 1","-P 2yac","13","","","","- C22 H28 F6 Mn N4 O2 Sb -","- C22 H28 F6 Mn N4 O2 Sb -","- C44 H56 F12 Mn2 N8 O4 Sb2 -","2","0.5","","Wang, Shi; Li, Ya-Juan; Ju, Fei-Fei; Xu, Wu-Tan; Kagesawa, Koichi; Li, Yong-hua; Yamashita, Masahiro; Huang, Wei","The molecular and supramolecular aspects in mononuclear manganese(III) Schiff-base spin crossover complexes","Dalton Trans.","2017","","","","","10.1039/C7DT01718A","","","0.71073","MoKα","","0.0198","0.0187","","","0.0464","0.0471","","","","","","1.136","","","","has coordinates","198775","2020-10-21","18:00:00",""
"7043667","8.2858","0.0006","17.2042","0.0012","17.7305","0.0012","90","","90","","90","","2527.5","0.3","110","2","110","2","","","","","","","","7","P 21 21 21","P 2ac 2ab","19","","","","- C22 H28 As F6 Mn N4 O2 -","- C22 H28 As F6 Mn N4 O2 -","- C88 H112 As4 F24 Mn4 N16 O8 -","4","1","","Wang, Shi; Li, Ya-Juan; Ju, Fei-Fei; Xu, Wu-Tan; Kagesawa, Koichi; Li, Yong-hua; Yamashita, Masahiro; Huang, Wei","The molecular and supramolecular aspects in mononuclear manganese(III) Schiff-base spin crossover complexes","Dalton Trans.","2017","","","","","10.1039/C7DT01718A","","","0.71073","MoKα","","0.0461","0.0389","","","0.0902","0.0954","","","","","","1.057","","","","has coordinates","198775","2020-10-21","18:00:00",""
"7043668","8.103","0.002","19.428","0.006","16.966","0.005","90","","102.227","0.006","90","","2610.3","1.3","295","2","295","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C24 H34 Mn N5 O6 -","- C24 H34 Mn N5 O6 -","- C96 H136 Mn4 N20 O24 -","4","1","","Wang, Shi; Li, Ya-Juan; Ju, Fei-Fei; Xu, Wu-Tan; Kagesawa, Koichi; Li, Yong-hua; Yamashita, Masahiro; Huang, Wei","The molecular and supramolecular aspects in mononuclear manganese(III) Schiff-base spin crossover complexes","Dalton Trans.","2017","","","","","10.1039/C7DT01718A","","","0.71073","MoKα","","0.0815","0.0698","","","0.1554","0.1622","","","","","","1.263","","","","has coordinates","198775","2020-10-21","18:00:00",""
"7043669","7.755","0.002","16.035","0.004","17.36","0.004","90","","90","","90","","2158.7","0.9","295","2","295","2","","","","","","","","6","P c c n","-P 2ab 2ac","56","","","","- C22 H28 Cl Mn N4 O2 -","- C22 H28 Cl Mn N4 O2 -","- C88 H112 Cl4 Mn4 N16 O8 -","4","0.5","","Wang, Shi; Li, Ya-Juan; Ju, Fei-Fei; Xu, Wu-Tan; Kagesawa, Koichi; Li, Yong-hua; Yamashita, Masahiro; Huang, Wei","The molecular and supramolecular aspects in mononuclear manganese(III) Schiff-base spin crossover complexes","Dalton Trans.","2017","","","","","10.1039/C7DT01718A","","","0.71073","MoKα","","0.0772","0.064","","","0.1164","0.1228","","","","","","1.243","","","","has coordinates","198775","2020-10-21","18:00:00",""
"7043670","7.4309","0.0003","9.2288","0.0004","13.1426","0.0006","102.579","0.004","105.172","0.004","103.608","0.004","807.1","0.07","100","","100","","","","","","","","","6","P -1","-P 1","2","","","","- C17 H9 Ag F6 N2 O2 -","- C17 H9 Ag F6 N2 O2 -","- C34 H18 Ag2 F12 N4 O4 -","2","1","","Liu, Hongjun; Battiato, Sergio; Pellegrino, Anna Lucia; Paoli, Paola; Jiménez, Carmen; Rossi, Patrizia; Malandrino, Graziella; Muñoz-Rojas, David","Deposition of metallic silver coatings by Aerosol Assisted MOCVD using two new silver β-Diketonate adduct metalorganic precursors","Dalton Trans.","2017","","","","","10.1039/C7DT01647F","","","1.54184","CuKα","","0.0565","0.0407","","","0.0934","0.1169","","","","","","1.115","","","","has coordinates,has disorder","198776","2020-10-21","18:00:00",""
"7043671","11.4965","0.0006","12.9561","0.0007","13.0344","0.0009","96.821","0.005","91.795","0.005","92.35","0.004","1924.8","0.2","250","2","250","2","","","","","","","","5","P -1","-P 1","2","","","","- C26 H38 Ag2 F12 O12 -","- C26 H38 Ag2 F12 O12 -","- C52 H76 Ag4 F24 O24 -","2","1","","Liu, Hongjun; Battiato, Sergio; Pellegrino, Anna Lucia; Paoli, Paola; Jiménez, Carmen; Rossi, Patrizia; Malandrino, Graziella; Muñoz-Rojas, David","Deposition of metallic silver coatings by Aerosol Assisted MOCVD using two new silver β-Diketonate adduct metalorganic precursors","Dalton Trans.","2017","","","","","10.1039/C7DT01647F","","","0.71073","MoKα","","0.0876","0.0637","","","0.1714","0.1942","","","","","","1.061","","","","has coordinates,has disorder","198776","2020-10-21","18:00:00",""
"7043672","7.709","0.0002","10.0529","0.0003","15.6084","0.0004","90.179","0.001","100.158","0.001","107.216","0.001","1135.34","0.05","150","2","150","2","","","","","","","","7","P -1","-P 1","2","","","","- C23 H18 Au2 Cl2 Fe N P -","- C23 H18 Au2 Cl2 Fe N P -","- C46 H36 Au4 Cl4 Fe2 N2 P2 -","2","1","","Skoch, Karel; Cisarova, Ivana; Schulz, Jiri; Siemeling, Ulrich; Stepnicka, Petr","Synthesis and characterization of 1'-(diphenylphosphino)-1-isocyanoferrocene, an organometallic ligand combining two different soft donor moieties, and its Group 11 metal complexes","Dalton Trans.","2017","","","","","10.1039/C7DT02336G","","","0.71073","MoKα","","0.0279","0.0214","","","0.0428","0.0448","","","","","","1.045","","","","has coordinates","204134","2020-10-21","18:00:00",""
"7043673","13.0004","0.0003","8.9356","0.0002","34.394","0.0008","90","","98.0205","0.0008","90","","3956.34","0.16","150","2","150","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C22 H18 Fe N3 P S -","- C22 H18 Fe N3 P S -","- C176 H144 Fe8 N24 P8 S8 -","8","2","","Skoch, Karel; Cisarova, Ivana; Schulz, Jiri; Siemeling, Ulrich; Stepnicka, Petr","Synthesis and characterization of 1'-(diphenylphosphino)-1-isocyanoferrocene, an organometallic ligand combining two different soft donor moieties, and its Group 11 metal complexes","Dalton Trans.","2017","","","","","10.1039/C7DT02336G","","","0.71073","MoKα","","0.0441","0.0414","","","0.1009","0.1025","","","","","","1.107","","","","has coordinates","204134","2020-10-21","18:00:00",""
"7043674","9.9966","0.0002","15.9714","0.0004","12.5443","0.0003","90","","92.8551","0.0008","90","","2000.33","0.08","150","2","150","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C22 H21 B Fe N3 P -","- C22 H21 B Fe N3 P -","- C88 H84 B4 Fe4 N12 P4 -","4","1","","Skoch, Karel; Cisarova, Ivana; Schulz, Jiri; Siemeling, Ulrich; Stepnicka, Petr","Synthesis and characterization of 1'-(diphenylphosphino)-1-isocyanoferrocene, an organometallic ligand combining two different soft donor moieties, and its Group 11 metal complexes","Dalton Trans.","2017","","","","","10.1039/C7DT02336G","","","0.71073","MoKα","","0.0379","0.0341","","","0.0963","0.0996","","","","","","1.059","","","","has coordinates","198797","2020-10-21","18:00:00",""
"7043675","8.4598","0.0001","18.9243","0.0003","12.8116","0.0002","90","","94.3304","0.0006","90","","2045.23","0.05","150","2","150","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C23 H18 Au Cl Fe N P -","- C23 H18 Au Cl Fe N P -","- C92 H72 Au4 Cl4 Fe4 N4 P4 -","4","1","","Skoch, Karel; Cisarova, Ivana; Schulz, Jiri; Siemeling, Ulrich; Stepnicka, Petr","Synthesis and characterization of 1'-(diphenylphosphino)-1-isocyanoferrocene, an organometallic ligand combining two different soft donor moieties, and its Group 11 metal complexes","Dalton Trans.","2017","","","","","10.1039/C7DT02336G","","","0.71073","MoKα","","0.0258","0.0193","","","0.0381","0.0399","","","","","","1.035","","","","has coordinates","198797","2020-10-21","18:00:00",""
"7043676","7.721","0.0003","26.8385","0.0008","9.5519","0.0003","90","","99.412","0.001","90","","1952.7","0.11","150","2","150","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C23 H20 Fe N O P -","- C23 H20 Fe N O P -","- C92 H80 Fe4 N4 O4 P4 -","4","1","","Skoch, Karel; Cisarova, Ivana; Schulz, Jiri; Siemeling, Ulrich; Stepnicka, Petr","Synthesis and characterization of 1'-(diphenylphosphino)-1-isocyanoferrocene, an organometallic ligand combining two different soft donor moieties, and its Group 11 metal complexes","Dalton Trans.","2017","","","","","10.1039/C7DT02336G","","","0.71073","MoKα","","0.0275","0.025","","","0.0606","0.0617","","","","","","1.059","","","","has coordinates","198797","2020-10-21","18:00:00",""
"7043677","8.7552","0.0003","14.2448","0.0005","22.3852","0.0007","90","","98.2369","0.0012","90","","2762.99","0.16","150","2","150","2","","","","","","","","9","P 1 21/c 1","-P 2ybc","14","","","","- C52 H48 Ag2 F12 Fe2 N2 O2 P2 Sb2 -","- C52 H48 Ag2 F12 Fe2 N2 O2 P2 Sb2 -","- C104 H96 Ag4 F24 Fe4 N4 O4 P4 Sb4 -","2","0.5","","Skoch, Karel; Cisarova, Ivana; Schulz, Jiri; Siemeling, Ulrich; Stepnicka, Petr","Synthesis and characterization of 1'-(diphenylphosphino)-1-isocyanoferrocene, an organometallic ligand combining two different soft donor moieties, and its Group 11 metal complexes","Dalton Trans.","2017","","","","","10.1039/C7DT02336G","","","0.71073","MoKα","","0.0459","0.0377","","","0.0935","0.0982","","","","","","1.07","","","","has coordinates","198797","2020-10-21","18:00:00",""
"7043678","29.4021","0.0005","21.8753","0.0004","18.7554","0.0003","90","","127.17","0.0005","90","","9612.4","0.3","150","2","150","2","","","","","","","","9","C 1 2/c 1","-C 2yc","15","","","","- C101 H90 Ag2 F12 Fe4 N4 O3 P4 Sb2 -","- C101 H90 Ag2 F12 Fe4 N4 O3 P4 Sb2 -","- C404 H360 Ag8 F48 Fe16 N16 O12 P16 Sb8 -","4","0.5","","Skoch, Karel; Cisarova, Ivana; Schulz, Jiri; Siemeling, Ulrich; Stepnicka, Petr","Synthesis and characterization of 1'-(diphenylphosphino)-1-isocyanoferrocene, an organometallic ligand combining two different soft donor moieties, and its Group 11 metal complexes","Dalton Trans.","2017","","","","","10.1039/C7DT02336G","","","0.71073","MoKα","","0.0414","0.0307","","","0.073","0.0783","","","","","","1.067","","","","has coordinates","198797","2020-10-21","18:00:00",""
"7043679","8.3719","0.0002","9.6949","0.0003","13.6401","0.0004","110.215","0.0011","103.26","0.0012","95.5911","0.0012","992.1","0.05","150","2","150","2","","","","","","","","7","P -1","-P 1","2","","","","- C23 H18 Ag Cl Fe N P -","- C23 H18 Ag Cl Fe N P -","- C46 H36 Ag2 Cl2 Fe2 N2 P2 -","2","1","","Skoch, Karel; Cisarova, Ivana; Schulz, Jiri; Siemeling, Ulrich; Stepnicka, Petr","Synthesis and characterization of 1'-(diphenylphosphino)-1-isocyanoferrocene, an organometallic ligand combining two different soft donor moieties, and its Group 11 metal complexes","Dalton Trans.","2017","","","","","10.1039/C7DT02336G","","","0.71073","MoKα","","0.0329","0.0266","","","0.0666","0.0694","","","","","","1.056","","","","has coordinates","198797","2020-10-21","18:00:00",""
"7043680","8.6644","0.0004","10.1933","0.0004","10.9689","0.0005","103.168","0.0014","102.966","0.0015","101.417","0.0014","887.01","0.07","150","2","150","2","","","","","","","","5","P -1","-P 1","2","","","","- C22 H20 Fe N P -","- C22 H20 Fe N P -","- C44 H40 Fe2 N2 P2 -","2","1","","Skoch, Karel; Cisarova, Ivana; Schulz, Jiri; Siemeling, Ulrich; Stepnicka, Petr","Synthesis and characterization of 1'-(diphenylphosphino)-1-isocyanoferrocene, an organometallic ligand combining two different soft donor moieties, and its Group 11 metal complexes","Dalton Trans.","2017","","","","","10.1039/C7DT02336G","","","0.71073","MoKα","","0.0277","0.0239","","","0.0581","0.0596","","","","","","1.075","","","","has coordinates","198797","2020-10-21","18:00:00",""
"7043681","8.943","0.0002","16.7677","0.0004","12.9894","0.0003","90","","108.184","0.0009","90","","1850.53","0.07","150","2","150","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C23 H18 Fe N P -","- C23 H18 Fe N P -","- C92 H72 Fe4 N4 P4 -","4","1","","Skoch, Karel; Cisarova, Ivana; Schulz, Jiri; Siemeling, Ulrich; Stepnicka, Petr","Synthesis and characterization of 1'-(diphenylphosphino)-1-isocyanoferrocene, an organometallic ligand combining two different soft donor moieties, and its Group 11 metal complexes","Dalton Trans.","2017","","","","","10.1039/C7DT02336G","","","0.71073","MoKα","","0.0385","0.0295","","","0.0718","0.0763","","","","","","1.02","","","","has coordinates","204134","2020-10-21","18:00:00",""
"7043682","8.848","0.0003","14.2781","0.0009","22.2571","0.001","90","","98.7946","0.0018","90","","2778.7","0.2","150","2","150","2","","","","","","","","9","P 1 21/c 1","-P 2ybc","14","","","","- C52 H48 Au2 F12 Fe2 N2 O2 P2 Sb2 -","- C52 H48 Au2 F12 Fe2 N2 O2 P2 Sb2 -","- C104 H96 Au4 F24 Fe4 N4 O4 P4 Sb4 -","2","0.5","","Skoch, Karel; Cisarova, Ivana; Schulz, Jiri; Siemeling, Ulrich; Stepnicka, Petr","Synthesis and characterization of 1'-(diphenylphosphino)-1-isocyanoferrocene, an organometallic ligand combining two different soft donor moieties, and its Group 11 metal complexes","Dalton Trans.","2017","","","","","10.1039/C7DT02336G","","","0.71073","MoKα","","0.032","0.0258","","","0.0519","0.0539","","","","","","1.035","","","","has coordinates","204134","2020-10-21","18:00:00",""
"7043683","14.368","0.003","23.236","0.004","19.877","0.004","90","","106.498","0.003","90","","6363","2","113","2","113","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C63 H88 N4 Si4 Yb2 -","- C63 H88 N4 Si4 Yb2 -","- C252 H352 N16 Si16 Yb8 -","4","1","","Shi, Yinghua; Li, Jianfeng; Cui, Chunming","Synthesis of Divalent Ytterbium Terphenylamide and Catalytic Application for Regioselective Hydrosilylation of Alkenes","Dalton Trans.","2017","","","","","10.1039/C7DT01837A","","","0.71075","MoKα","","0.0532","0.0474","","","0.1077","0.1122","","","","","","1.11","","","","has coordinates","198798","2020-10-21","18:00:00",""
"7043684","17.1","0.002","17.5072","0.0017","19.438","0.002","71.668","0.006","85.793","0.006","71.566","0.005","5238.2","1","113","2","113","2","","","","","","","","6","P -1","-P 1","2","","","","- C61 H66 N2 O2 Si Yb -","- C61 H66 N2 O2 Si Yb -","- C244 H264 N8 O8 Si4 Yb4 -","4","2","","Shi, Yinghua; Li, Jianfeng; Cui, Chunming","Synthesis of Divalent Ytterbium Terphenylamide and Catalytic Application for Regioselective Hydrosilylation of Alkenes","Dalton Trans.","2017","","","","","10.1039/C7DT01837A","","","0.71075","MoKα","","0.0418","0.0345","","","0.0793","0.0818","","","","","","1.031","","","","has coordinates","198798","2020-10-21","18:00:00",""
"7043685","14.0518","0.0004","11.2346","0.0003","16.6847","0.0005","90","","103.776","0.003","90","","2558.18","0.13","100","2","100","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C26 H62 Gd4 N10 O32 -","- C26 H62 Gd4 N10 O32 -","- C52 H124 Gd8 N20 O64 -","2","0.5","","Brechin, Euan K.; Hooper, Thomas N.; Langley, Stuart K.; Gómez-Coca, Silvia; Lorusso, Giulia; Ruiz, Eliseo; Murray, Keith S.; Evangelisti, Marco","Coming full circle: constructing a [Gd6] wheel dimer by dimer and the importance of spin topology","Dalton Trans.","2017","","","","","10.1039/C7DT02281F","","","1.5418","CuKα","","0.0825","0.0756","","","0.1966","0.1995","","","","","","1.166","","","","has coordinates,has disorder","198799","2020-10-21","18:00:00",""
"7043686","8.2904","0.0003","8.6272","0.0003","10.2877","0.0003","86.684","0.003","79.434","0.003","84.336","0.003","719.2","0.04","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","","","- C14 H36 Gd2 N6 O20 -","- C14 H36 Gd2 N6 O20 -","- C14 H36 Gd2 N6 O20 -","1","0.5","","Brechin, Euan K.; Hooper, Thomas N.; Langley, Stuart K.; Gómez-Coca, Silvia; Lorusso, Giulia; Ruiz, Eliseo; Murray, Keith S.; Evangelisti, Marco","Coming full circle: constructing a [Gd6] wheel dimer by dimer and the importance of spin topology","Dalton Trans.","2017","","","","","10.1039/C7DT02281F","","","1.5418","CuKα","","0.036","0.034","","","0.0863","0.0869","","","","","","1.181","","","","has coordinates","198799","2020-10-21","18:00:00",""
"7043687","8.1154","0.0006","10.4942","0.0006","13.688","0.0008","90","","90","","90","","1165.73","0.13","183","2","183","2","","","","","","","","5","P n n m","-P 2 2n","58","[Tc(Me6Ph)2](PF6)","","","- C24 H36 F6 P Tc -","- C24 H36 F6 P Tc -","- C48 H72 F12 P2 Tc2 -","2","0.25","","Alberto, Roger; Meola, Giuseppe; Braband, Henrik; Jordi, Sara; Fox, Thomas; Blacque, Oliver; Spingler, Bernhard","Structure and Reactivities of Rhenium and Technetium bis-Arene Sandwich Complexes [M(η6-arene)2]+","Dalton Trans.","2017","","","","","10.1039/C7DT02072D","","","0.71073","MoKα","","0.0545","0.0355","","","0.0769","0.0846","","","","","","1.099","","","","has coordinates","198800","2020-10-21","18:00:00",""
"7043688","16.22709","0.00011","15.7879","0.00012","30.1873","0.0003","90","","101.454","0.0008","90","","7579.72","0.11","183","2","183","2","","","","","","","","7","I 1 2/a 1","-I 2ya","15","","","","- C25 H50 F3 O12 P3 Re S -","- C25 H50 F3 O12 P3 Re S -","- C200 H400 F24 O96 P24 Re8 S8 -","8","1","","Alberto, Roger; Meola, Giuseppe; Braband, Henrik; Jordi, Sara; Fox, Thomas; Blacque, Oliver; Spingler, Bernhard","Structure and Reactivities of Rhenium and Technetium bis-Arene Sandwich Complexes [M(η6-arene)2]+","Dalton Trans.","2017","","","","","10.1039/C7DT02072D","","","1.54184","CuKα","","0.0598","0.0562","","","0.1724","0.1765","","","","","","1.051","","","","has coordinates,has disorder","198800","2020-10-21","18:00:00",""
"7043689","10.4629","0.0003","12.2103","0.0003","15.7908","0.0004","97.165","0.002","102.359","0.002","94.246","0.002","1944.63","0.09","183","2","183","2","","","","","","","","7","P -1","-P 1","2","","","","- C29 H53 F3 O12 P3 Re S -","- C29 H53 F3 O12 P3 Re S -","- C58 H106 F6 O24 P6 Re2 S2 -","2","1","","Alberto, Roger; Meola, Giuseppe; Braband, Henrik; Jordi, Sara; Fox, Thomas; Blacque, Oliver; Spingler, Bernhard","Structure and Reactivities of Rhenium and Technetium bis-Arene Sandwich Complexes [M(η6-arene)2]+","Dalton Trans.","2017","","","","","10.1039/C7DT02072D","","","0.71073","MoKα","","0.0401","0.0315","","","0.0715","0.0769","","","","","","1.058","","","","has coordinates","198800","2020-10-21","18:00:00",""
"7043690","7.0418","0.0004","9.2033","0.0005","12.4028","0.0007","87.599","0.005","86.191","0.005","85.98","0.004","799.49","0.08","183","2","183","2","","","","","","","","5","P -1","-P 1","2","[Tc(Me5Ph)(PhBr)]Cl","","","- C17 H21 Br Cl Tc -","- C17 H21 Br Cl Tc -","- C34 H42 Br2 Cl2 Tc2 -","2","1","","Alberto, Roger; Meola, Giuseppe; Braband, Henrik; Jordi, Sara; Fox, Thomas; Blacque, Oliver; Spingler, Bernhard","Structure and Reactivities of Rhenium and Technetium bis-Arene Sandwich Complexes [M(η6-arene)2]+","Dalton Trans.","2017","","","","","10.1039/C7DT02072D","","","0.71073","MoKα","","0.0601","0.0428","","","0.0992","0.1043","","","","","","1.043","","","","has coordinates","198800","2020-10-21","18:00:00",""
"7043691","9.0801","0.0003","10.787","0.0003","11.5849","0.0003","104.912","0.002","98.624","0.002","91.639","0.002","1081.41","0.06","183","2","183","2","","","","","","","","7","P 1","P 1","1","","","","- C18 H14 F6 Li O6 Re S2 -","- C18 H14 F6 Li O6 Re S2 -","- C36 H28 F12 Li2 O12 Re2 S4 -","2","2","","Alberto, Roger; Meola, Giuseppe; Braband, Henrik; Jordi, Sara; Fox, Thomas; Blacque, Oliver; Spingler, Bernhard","Structure and Reactivities of Rhenium and Technetium bis-Arene Sandwich Complexes [M(η6-arene)2]+","Dalton Trans.","2017","","","","","10.1039/C7DT02072D","","","0.71073","MoKα","","0.0424","0.0372","","","0.0759","0.0806","","","","","","1.021","","","","has coordinates","198800","2020-10-21","18:00:00",""
"7043692","8.2517","0.0004","10.2422","0.0006","8.9263","0.0005","90","","92.507","0.005","90","","753.69","0.07","183","2","183","2","","","","","","","","5","P 1 21/m 1","-P 2yb","11","","","","- C15 H16 B N6 Re -","- C15 H16 B N6 Re -","- C30 H32 B2 N12 Re2 -","2","0.5","","Alberto, Roger; Meola, Giuseppe; Braband, Henrik; Jordi, Sara; Fox, Thomas; Blacque, Oliver; Spingler, Bernhard","Structure and Reactivities of Rhenium and Technetium bis-Arene Sandwich Complexes [M(η6-arene)2]+","Dalton Trans.","2017","","","","","10.1039/C7DT02072D","","","0.71073","MoKα","","0.0398","0.0344","","","0.0691","0.0722","","","","","","1.051","","","","has coordinates","198800","2020-10-21","18:00:00",""
"7043693","9.7977","0.0005","10.9136","0.0007","13.8305","0.0006","104.511","0.005","109.525","0.004","93.636","0.005","1331.7","0.14","183","2","183","2","","","","","","","","7","P -1","-P 1","2","","","","- C21.9 H33 F2.7 N3 O3.1 Re1.1 S0.9 -","- C21.9 H33 F2.7 N3 O2.7 Re1.1 S0.9 -","- C43.8 H66 F5.4 N6 O5.4 Re2.2 S1.8 -","2","1","","Alberto, Roger; Meola, Giuseppe; Braband, Henrik; Jordi, Sara; Fox, Thomas; Blacque, Oliver; Spingler, Bernhard","Structure and Reactivities of Rhenium and Technetium bis-Arene Sandwich Complexes [M(η6-arene)2]+","Dalton Trans.","2017","","","","","10.1039/C7DT02072D","","","0.71073","MoKα","","0.0287","0.0257","","","0.0662","0.0683","","","","","","1.058","","","","has coordinates,has disorder","198800","2020-10-21","18:00:00",""
"7043694","8.1171","0.0004","15.7539","0.0007","15.0788","0.0007","90","","91.37","0.004","90","","1927.67","0.16","183","1","183","1","","","","","","","","6","C 1 c 1","C -2yc","9","","to be completed","","- C18 H25 F6 N P Tc -","- C18 H25 F6 N P Tc -","- C72 H100 F24 N4 P4 Tc4 -","4","1","","Alberto, Roger; Meola, Giuseppe; Braband, Henrik; Jordi, Sara; Fox, Thomas; Blacque, Oliver; Spingler, Bernhard","Structure and Reactivities of Rhenium and Technetium bis-Arene Sandwich Complexes [M(η6-arene)2]+","Dalton Trans.","2017","","","","","10.1039/C7DT02072D","","x-ray","0.71073","MoKα","","0.0508","0.0498","","","0.1344","0.1356","","","","","","1.057","","","","has coordinates","198800","2020-10-21","18:00:00",""
"7043695","10.191","0.002","17.74","0.003","17.909","0.004","117.46","0.02","102.485","0.019","93.314","0.016","2758.3","1.1","183","2","183","2","","","","","","","","8","P -1","-P 1","2","","","","- C33 H54 F9 Li2 N6 O11 Re S3 -","- C33 H54 F9 Li2 N6 O11 Re S3 -","- C66 H108 F18 Li4 N12 O22 Re2 S6 -","2","1","","Alberto, Roger; Meola, Giuseppe; Braband, Henrik; Jordi, Sara; Fox, Thomas; Blacque, Oliver; Spingler, Bernhard","Structure and Reactivities of Rhenium and Technetium bis-Arene Sandwich Complexes [M(η6-arene)2]+","Dalton Trans.","2017","","","","","10.1039/C7DT02072D","","","0.71073","MoKα","","0.0586","0.0419","","","0.1002","0.1114","","","","","","1.046","","","","has coordinates","198800","2020-10-21","18:00:00",""
"7043696","11.0055","0.00004","18.5673","0.00007","24.4564","0.00009","90","","90","","90","","4997.48","0.03","183","2","183","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C52 H49 Cl2 F6 P4 Re -","- C52 H49 Cl2 F6 P4 Re -","- C208 H196 Cl8 F24 P16 Re4 -","4","1","","Alberto, Roger; Meola, Giuseppe; Braband, Henrik; Jordi, Sara; Fox, Thomas; Blacque, Oliver; Spingler, Bernhard","Structure and Reactivities of Rhenium and Technetium bis-Arene Sandwich Complexes [M(η6-arene)2]+","Dalton Trans.","2017","","","","","10.1039/C7DT02072D","","","1.54184","CuKα","","0.0325","0.0322","","","0.0828","0.083","","","","","","1.067","","","","has coordinates","198800","2020-10-21","18:00:00",""
"7043697","10.5773","0.0005","13.5743","0.0006","8.8978","0.0004","90","","125.244","0.009","90","","1043.37","0.14","100","2","100","2","","","","","","","","6","C 1 2/m 1","-C 2y","12","","","","- C16 H14 Co N8 O4 Yb -","- C16 H14 Co N8 O4 Yb -","- C32 H28 Co2 N16 O8 Yb2 -","2","0.25","","Chorazy, Szymon; Rams, Michał; Wang, Junhao; Sieklucka, Barbara; Ohkoshi, Shin-ichi","Octahedral Yb(III) complexes embedded in [CoIII(CN)6]-bridged coordination chains: combining sensitized near-infrared fluorescence with slow magnetic relaxation","Dalton Trans.","2017","","","","","10.1039/C7DT02239E","","x-ray","0.71075","MoKα","","0.0114","0.0105","","","0.0304","0.0421","","","","","","1.455","","","","has coordinates","198801","2020-10-21","18:00:00",""
"7043698","9.6901","0.0008","9.8569","0.0007","17.5945","0.0015","87.561","0.004","78.334","0.004","83.695","0.003","1635.5","0.2","274","2","274","2","","","","","","","","4","P -1","-P 1","2","","anti-3","","- C45 H34 B N -","- C45 H34 B N -","- C90 H68 B2 N2 -","2","1","","Adiraju, Venkata A. K.; Martin, Caleb Daniel","C-H Addition Reactivity of 2-Phenylpyridine and 2,2’-Bipyridine with Pentaphenylborole","Dalton Trans.","2017","","","","","10.1039/C7DT02321A","","","0.71073","MoKα","","0.0824","0.0485","","","0.1187","0.1347","","","","","","1.068","","","","has coordinates","198803","2020-10-21","18:00:00",""
"7043699","10.056","0.0004","18.4589","0.0007","17.5795","0.0006","90","","96.517","0.001","90","","3242.1","0.2","150","2","150","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","2","","- C44 H33 B N2 -","- C44 H33 B N2 -","- C176 H132 B4 N8 -","4","1","","Adiraju, Venkata A. K.; Martin, Caleb Daniel","C-H Addition Reactivity of 2-Phenylpyridine and 2,2’-Bipyridine with Pentaphenylborole","Dalton Trans.","2017","","","","","10.1039/C7DT02321A","","","0.71073","MoKα","","0.0627","0.045","","","0.1181","0.1404","","","","","","1.096","","","","has coordinates,has disorder","198803","2020-10-21","18:00:00",""
"7043700","9.8501","0.0006","17.9052","0.0012","18.5912","0.0012","90","","93.551","0.002","90","","3272.6","0.4","150","2","150","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","1","","- C45 H34 B N -","- C45 H34 B N -","- C180 H136 B4 N4 -","4","1","","Adiraju, Venkata A. K.; Martin, Caleb Daniel","C-H Addition Reactivity of 2-Phenylpyridine and 2,2’-Bipyridine with Pentaphenylborole","Dalton Trans.","2017","","","","","10.1039/C7DT02321A","","","0.71073","MoKα","","0.1522","0.0576","","","0.1058","0.1409","","","","","","1.057","","","","has coordinates","198803","2020-10-21","18:00:00",""
"7043701","11.3768","0.0008","17.7046","0.0014","17.1202","0.0014","90","","108.047","0.002","90","","3278.7","0.4","150","2","150","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","syn-3","","- C45 H34 B N -","- C45 H34 B N -","- C180 H136 B4 N4 -","4","1","","Adiraju, Venkata A. K.; Martin, Caleb Daniel","C-H Addition Reactivity of 2-Phenylpyridine and 2,2’-Bipyridine with Pentaphenylborole","Dalton Trans.","2017","","","","","10.1039/C7DT02321A","","","0.71073","MoKα","","0.073","0.0522","","","0.1344","0.1523","","","","","","1.173","","","","has coordinates","198803","2020-10-21","18:00:00",""
"7043702","11.3303","0.0005","17.6684","0.0007","17.0803","0.0006","90","","107.431","0.002","90","","3262.3","0.2","150","2","150","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","syn-4","","- C44 H33 B N2 -","- C44 H33 B N2 -","- C176 H132 B4 N8 -","4","1","","Adiraju, Venkata A. K.; Martin, Caleb Daniel","C-H Addition Reactivity of 2-Phenylpyridine and 2,2’-Bipyridine with Pentaphenylborole","Dalton Trans.","2017","","","","","10.1039/C7DT02321A","","","0.71073","MoKα","","0.0607","0.0456","","","0.1202","0.1341","","","","","","1.108","","","","has coordinates","198803","2020-10-21","18:00:00",""
"7043703","10.9194","0.0002","10.6543","0.0002","16.9439","0.0004","90","","99.216","0.002","90","","1945.78","0.07","293","2","293","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C39 H58 Hf N4 O4 -","- C39 H58 Hf N4 O4 -","- C78 H116 Hf2 N8 O8 -","2","1","","Duan, Yu-Lai; Hu, Zhi-Jian; Yang, Bo-Qun; Ding, Fei-Fei; Wang, Wei; Huang, Yong; Yang, Ying","Zirconium and hafnium complexes bearing pyrrolidine derived salalen-type {ONNO} ligands and their application for ring-opening polymerization of lactides","Dalton Trans.","2017","","","","","10.1039/C7DT02113E","","","0.71073","MoKα","","0.0301","0.027","","","0.0581","0.0602","","","","","","1.001","","","","has coordinates","198814","2020-10-21","18:00:00",""
"7043704","11.329","0.002","17.763","0.004","22.612","0.004","90","","90","","90","","4550.4","1.5","293","2","293","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C46 H58 N4 O4 Zr -","- C46 H58 N4 O4 Zr -","- C184 H232 N16 O16 Zr4 -","4","1","","Duan, Yu-Lai; Hu, Zhi-Jian; Yang, Bo-Qun; Ding, Fei-Fei; Wang, Wei; Huang, Yong; Yang, Ying","Zirconium and hafnium complexes bearing pyrrolidine derived salalen-type {ONNO} ligands and their application for ring-opening polymerization of lactides","Dalton Trans.","2017","","","","","10.1039/C7DT02113E","","","0.71073","MoKα","","0.0623","0.0509","","","0.109","0.1146","","","","","","1.005","","","","has coordinates,has disorder","198814","2020-10-21","18:00:00",""
"7043705","11.0439","0.0003","10.3438","0.0003","17.724","0.0005","90","","99.103","0.003","90","","1999.22","0.1","293","2","293","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C40 H60 N4 O4 Zr -","- C40 H60 N4 O4 Zr -","- C80 H120 N8 O8 Zr2 -","2","1","","Duan, Yu-Lai; Hu, Zhi-Jian; Yang, Bo-Qun; Ding, Fei-Fei; Wang, Wei; Huang, Yong; Yang, Ying","Zirconium and hafnium complexes bearing pyrrolidine derived salalen-type {ONNO} ligands and their application for ring-opening polymerization of lactides","Dalton Trans.","2017","","","","","10.1039/C7DT02113E","","","0.71073","MoKα","","0.0466","0.04","","","0.0712","0.0757","","","","","","1.002","","","","has coordinates","198814","2020-10-21","18:00:00",""
"7043706","11.0152","0.00014","10.33345","0.00014","17.7349","0.0002","90","","99.2001","0.0013","90","","1992.71","0.04","293","2","293","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C40 H60 Hf N4 O4 -","- C40 H60 Hf N4 O4 -","- C80 H120 Hf2 N8 O8 -","2","1","","Duan, Yu-Lai; Hu, Zhi-Jian; Yang, Bo-Qun; Ding, Fei-Fei; Wang, Wei; Huang, Yong; Yang, Ying","Zirconium and hafnium complexes bearing pyrrolidine derived salalen-type {ONNO} ligands and their application for ring-opening polymerization of lactides","Dalton Trans.","2017","","","","","10.1039/C7DT02113E","","","0.71073","MoKα","","0.0266","0.0245","","","0.0511","0.0523","","","","","","1.006","","","","has coordinates","198814","2020-10-21","18:00:00",""
"7043707","10.2875","0.0018","11.4771","0.0018","11.7608","0.0017","110.226","0.009","94.949","0.009","109.795","0.009","1193","0.4","298","2","298","2","","","","","","","","5","P -1","-P 1","2","","","","- C38 H38 Cd2 N14 O11 -","- C38 H38 Cd2 N14 O11 -","- C38 H38 Cd2 N14 O11 -","1","0.5","","Chand, Santanu; Elahi, Syed Meheboob; Pal, Arun; Das, Madhab C.","A new set of Cd(ii)-coordination polymers with mixed ligands of dicarboxylate and pyridyl substituted diaminotriazine: selective sorption towards CO2 and cationic dyes","Dalton Trans.","2017","","","","","10.1039/C7DT01657C","","","0.71073","MoKα","","0.1011","0.063","","","0.1737","0.1916","","","","","","1.083","","","","has coordinates","198815","2020-10-21","18:00:00",""
"7043708","9.9","0.005","15.969","0.005","7.269","0.005","90","","106.527","0.005","90","","1101.7","1","293","2","293","2","","","","","","","","6","P 1 2/c 1","-P 2yc","13","","","","- C14 H14 Cd N6 O6 S -","- C14 H14 Cd N6 O6 S -","- C28 H28 Cd2 N12 O12 S2 -","2","0.5","","Chand, Santanu; Elahi, Syed Meheboob; Pal, Arun; Das, Madhab C.","A new set of Cd(ii)-coordination polymers with mixed ligands of dicarboxylate and pyridyl substituted diaminotriazine: selective sorption towards CO2 and cationic dyes","Dalton Trans.","2017","","","","","10.1039/C7DT01657C","","","0.71069","MoKα","","0.0391","0.0294","","","0.0722","0.0749","","","","","","1.062","","","","has coordinates","198815","2020-10-21","18:00:00",""
"7043709","11.2961","0.0007","23.8537","0.0015","7.1245","0.0005","90","","104.469","0.002","90","","1858.8","0.2","298","2","298","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C30 H42 Cd N14 O10 -","- C30 H42 Cd N14 O10 -","- C60 H84 Cd2 N28 O20 -","2","0.5","","Chand, Santanu; Elahi, Syed Meheboob; Pal, Arun; Das, Madhab C.","A new set of Cd(ii)-coordination polymers with mixed ligands of dicarboxylate and pyridyl substituted diaminotriazine: selective sorption towards CO2 and cationic dyes","Dalton Trans.","2017","","","","","10.1039/C7DT01657C","","","0.71073","MoKα","","0.0347","0.0294","","","0.0735","0.0767","","","","","","1.062","","","","has coordinates","198815","2020-10-21","18:00:00",""
"7043710","15.3538","0.0017","17.894","0.002","20.376","0.002","109.857","0.002","91.607","0.002","96.139","0.002","5222.7","1","173","2","173","2","","","","","","","","7","P -1","-P 1","2","","","","- C90 H112 F12 N10 O27 Rh4 S4 -","- C86 H86 F12 N10 O22 Rh4 S4 -","- C172 H172 F24 N20 O44 Rh8 S8 -","2","1","","Jin, Guo-Xin; Gao, Wen-Xi; Lin, Yue-Jian","Stepwise construction of discrete parallelogram- and prism-shaped organometallic architectures based on half-sandwich rhodium fragments","Dalton Trans.","2017","","","","","10.1039/C7DT02186K","","","0.71073","MoKα","","0.1416","0.0642","","","0.1405","0.1714","","","","","","0.837","","","","has coordinates,has disorder","198816","2020-10-21","18:00:00",""
"7043711","15.658","0.004","11.827","0.003","24.371","0.005","90","","105.898","0.004","90","","4340.6","1.8","223","2","223","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C36 H41 F6 N5 O10 Rh2 S2 -","- C35 H41 F3 N5 O7 Rh2 S -","- C140 H164 F12 N20 O28 Rh8 S4 -","4","1","","Jin, Guo-Xin; Gao, Wen-Xi; Lin, Yue-Jian","Stepwise construction of discrete parallelogram- and prism-shaped organometallic architectures based on half-sandwich rhodium fragments","Dalton Trans.","2017","","","","","10.1039/C7DT02186K","","","0.71073","MoKα","","0.1397","0.0721","","","0.1787","0.2048","","","","","","0.946","","","","has coordinates,has disorder","198816","2020-10-21","18:00:00",""
"7043712","21.867","0.005","26.493","0.006","27.213","0.006","90","","106.754","0.004","90","","15096","6","173","2","173","2","","","","","","","","7","C 1 2/c 1","-C 2yc","15","","","","- C120 H146 F18 N12 O33 Rh6 S6 -","- C110 H122 N12 O9 Rh6 -","- C440 H488 N48 O36 Rh24 -","4","0.5","","Jin, Guo-Xin; Gao, Wen-Xi; Lin, Yue-Jian","Stepwise construction of discrete parallelogram- and prism-shaped organometallic architectures based on half-sandwich rhodium fragments","Dalton Trans.","2017","","","","","10.1039/C7DT02186K","","","0.71073","MoKα","","0.1322","0.0747","","","0.2135","0.2334","","","","","","1.002","","","","has coordinates,has disorder","198816","2020-10-21","18:00:00",""
"7043713","14.669","0.0016","15.7386","0.0017","12.9152","0.0014","90","","99.389","0.002","90","","2941.8","0.6","100","0.5","100","0.5","","","","","","","","7","C 1 2/c 1","-C 2yc","15","cwmwm08","","","- C25 H26 B Co F4 N8 O10 -","- C25 H26 B Co F4 N8 O10 -","- C100 H104 B4 Co4 F16 N32 O40 -","4","0.5","","DiRisio, Ryan J.; Armstrong, Jessica E.; Frank, Mariah A.; Lake, William R.; McNamara, William Robert","Cobalt Schiff-Base Complexes for Electrocatalytic Hydrogen Generation","Dalton Trans.","2017","","","","","10.1039/C7DT01750B","","","0.71073","MoKα","","0.0653","0.0454","","","0.1181","0.1288","","","","","","1.041","","","","has coordinates,has disorder","198817","2020-10-21","18:00:00",""
"7043714","13.6579","0.0011","18.1377","0.0015","13.7492","0.0011","90","","90.4907","0.0018","90","","3405.9","0.5","100","0.5","100","0.5","","","","","","","","8","C 1 2/c 1","-C 2yc","15","cwmwm10","","","- C32 H36 B0.3 Co F5.39 N6 O6 P0.7 -","- C32 H36 B0.3026 Co F5.3924 N6 O6 P0.697 -","- C128 H144 B1.2104 Co4 F21.5696 N24 O24 P2.788 -","4","0.5","","DiRisio, Ryan J.; Armstrong, Jessica E.; Frank, Mariah A.; Lake, William R.; McNamara, William Robert","Cobalt Schiff-Base Complexes for Electrocatalytic Hydrogen Generation","Dalton Trans.","2017","","","","","10.1039/C7DT01750B","","","0.71073","MoKα","","0.0644","0.0407","","","0.098","0.1093","","","","","","1.024","","","","has coordinates,has disorder","198817","2020-10-21","18:00:00",""
"7043715","13.4733","0.0008","18.3502","0.001","19.0508","0.0011","90","","90","","90","","4710.1","0.5","150","2","150","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C42 H57 Cl2 N7 Ni O16 -","- C42 H55 Cl2 N7 Ni O16 -","- C168 H220 Cl8 N28 Ni4 O64 -","4","1","","Ghosh, Pradyut; Santra, Saikat; Bej, Somnath; Nandi, Mandira; Mondal, Partha","Syntheses of metallo-pseudorotaxanes, rotaxane and post-synthetically functionalized rotaxane: a comprehensive spectroscopic study and dynamic properties","Dalton Trans.","2017","","","","","10.1039/C7DT01364G","","","0.71073","MoKα","","0.0992","0.0774","","","0.1962","0.2168","","","","","","1.03","","","","has coordinates","198873","2020-10-21","18:00:00",""
"7043716","18.714","0.005","12.905","0.005","20.081","0.005","90","","108.561","0.005","90","","4597","2","150","2","150","","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C80 H100 Cl4 N14 O29 Zn2 -","- C80 H90 Cl4 N14 O29 Zn2 -","- C160 H180 Cl8 N28 O58 Zn4 -","2","0.5","","Ghosh, Pradyut; Santra, Saikat; Bej, Somnath; Nandi, Mandira; Mondal, Partha","Syntheses of metallo-pseudorotaxanes, rotaxane and post-synthetically functionalized rotaxane: a comprehensive spectroscopic study and dynamic properties","Dalton Trans.","2017","","","","","10.1039/C7DT01364G","","","0.71069","MoKα","","0.0878","0.0648","","","0.1902","0.2086","","","","","","1.072","","","","has coordinates,has disorder","198873","2020-10-21","18:00:00",""
"7043717","11.4266","0.0013","13.2646","0.0015","18.043","0.002","95.793","0.003","100.492","0.003","100.063","0.003","2622.7","0.5","150","2","150","","","","","","","","","6","P -1","-P 1","2","","","","- C48 H63 Cl2 Cu N9 O16 -","- C48 H63 Cl2 Cu N9 O16 -","- C96 H126 Cl4 Cu2 N18 O32 -","2","1","","Ghosh, Pradyut; Santra, Saikat; Bej, Somnath; Nandi, Mandira; Mondal, Partha","Syntheses of metallo-pseudorotaxanes, rotaxane and post-synthetically functionalized rotaxane: a comprehensive spectroscopic study and dynamic properties","Dalton Trans.","2017","","","","","10.1039/C7DT01364G","","","0.71073","MoKα","","0.0868","0.0534","","","0.1379","0.1579","","","","","","1.042","","","","has coordinates,has disorder","198873","2020-10-21","18:00:00",""
"7043718","15.565","0.003","19.148","0.003","31.764","0.005","90","","90","","90","","9467","3","150","2","150","2","","","","","","","","6","P b c a","-P 2ac 2ab","61","","","","- C42 H55 Cl2 N7 O15 Zn -","- C42 H49 Cl2 N7 O15 Zn -","- C336 H392 Cl16 N56 O120 Zn8 -","8","1","","Ghosh, Pradyut; Santra, Saikat; Bej, Somnath; Nandi, Mandira; Mondal, Partha","Syntheses of metallo-pseudorotaxanes, rotaxane and post-synthetically functionalized rotaxane: a comprehensive spectroscopic study and dynamic properties","Dalton Trans.","2017","","","","","10.1039/C7DT01364G","","","0.71073","MoKα","","0.0937","0.0643","","","0.1769","0.2001","","","","","","1.018","","","","has coordinates","198873","2020-10-21","18:00:00",""
"7043719","10.4459","0.0002","11.9742","0.0003","18.4351","0.0004","105.354","0.001","90.043","0.001","98.642","0.001","2196.35","0.09","100","","100","","","","","","","","","6","P -1","-P 1","2","","","","- C23 H30 Al N O S -","- C23 H30 Al N O S -","- C92 H120 Al4 N4 O4 S4 -","4","2","","Nakonkhet, Chutakan; Nanok, Tanin; Wattanathana, Worawat; Chuawong, Pitak; Hormnirun, Pimpa","Aluminium complexes containing salicylbenzothiazole ligands and their application in the ring-opening polymerisation of rac-lactide and ε-caprolactone","Dalton Trans.","2017","","","","","10.1039/C7DT02435E","","","1.54178","CuKα","","0.0302","0.0289","","","0.079","0.0801","","","","","","1.038","","","","has coordinates","198874","2020-10-21","18:00:00",""
"7043720","12.8441","0.0006","13.5123","0.0007","15.8237","0.0008","90.045","0.001","98.205","0.001","94.79","0.001","2708.4","0.2","100","","100","","","","","","","","","6","P -1","-P 1","2","","","","- C30.5 H23 Al N2 O2 S2 -","- C30.5 H23 Al N2 O2 S2 -","- C122 H92 Al4 N8 O8 S8 -","4","2","","Nakonkhet, Chutakan; Nanok, Tanin; Wattanathana, Worawat; Chuawong, Pitak; Hormnirun, Pimpa","Aluminium complexes containing salicylbenzothiazole ligands and their application in the ring-opening polymerisation of rac-lactide and ε-caprolactone","Dalton Trans.","2017","","","","","10.1039/C7DT02435E","","","1.54178","CuKα","","0.035","0.0336","","","0.0886","0.0896","","","","","","1.025","","","","has coordinates","198874","2020-10-21","18:00:00",""
"7043721","7.2649","0.0003","16.7822","0.0006","15.3281","0.0007","90","","101.019","0.005","90","","1834.36","0.13","270","2","270","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C22 H28 Fe O2 -","- C22 H28 Fe O2 -","- C88 H112 Fe4 O8 -","4","1","","Roemer, Max; Wild, Duncan Andrew; Skelton, Brian W.; Sobolev, Alexandre N.; Nealon, Gareth; Piggott, Matthew; Koutsantonis, George","Control over cyclisation sequences of 1,1’-bifunctional octamethylferrocenes to ferrocenophanes","Dalton Trans.","2017","","","","","10.1039/C7DT02037F","","","1.54178","CuKα","","0.0864","0.073","","","0.1705","0.1803","","","","","","1.005","","","","has coordinates","198875","2020-10-21","18:00:00",""
"7043722","11.3755","0.0009","15.528","0.002","20.3832","0.0017","90","","90","","90","","3600.5","0.6","100","2","100","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C22 H28 Fe O -","- C22 H28 Fe O -","- C176 H224 Fe8 O8 -","8","1","","Roemer, Max; Wild, Duncan Andrew; Skelton, Brian W.; Sobolev, Alexandre N.; Nealon, Gareth; Piggott, Matthew; Koutsantonis, George","Control over cyclisation sequences of 1,1’-bifunctional octamethylferrocenes to ferrocenophanes","Dalton Trans.","2017","","","","","10.1039/C7DT02037F","","x-ray","1.54178","CuKα","","0.0876","0.0629","","","0.1628","0.1854","","","","","","1.049","","","","has coordinates","198875","2020-10-21","18:00:00",""
"7043723","17.2794","0.0009","8.5648","0.0007","25.8751","0.0013","90","","93.573","0.005","90","","3821.9","0.4","100","2","100","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C46 H59 Fe2 N -","- C46 H59 Fe2 N -","- C184 H236 Fe8 N4 -","4","1","","Roemer, Max; Wild, Duncan Andrew; Skelton, Brian W.; Sobolev, Alexandre N.; Nealon, Gareth; Piggott, Matthew; Koutsantonis, George","Control over cyclisation sequences of 1,1’-bifunctional octamethylferrocenes to ferrocenophanes","Dalton Trans.","2017","","","","","10.1039/C7DT02037F","","x-ray","1.54184","CuKα","","0.1025","0.0829","","","0.2209","0.238","","","","","","1.042","","","","has coordinates,has disorder","198875","2020-10-21","18:00:00",""
"7043724","7.9759","0.0004","13.8721","0.0007","14.703","0.0007","96.108","0.004","105.136","0.004","100.589","0.004","1523.03","0.14","100","","100","","","","","","","","","5","P -1","-P 1","2","","","","- C28 H24 Co N6 O16 -","- C28 H24 Co N6 O16 -","- C56 H48 Co2 N12 O32 -","2","1","","Valigura, Dusan; Rajnak, Cyril; Moncol, Jan; Titis, Jan; Boca, Roman","A mononuclear Co(II) complex formed of pyridinedimethanol with manifold slow relaxation channels","Dalton Trans.","2017","","","","","10.1039/C7DT02131C","","","1.54186","CuKα","","0.041","0.0367","","","0.0887","0.0901","","","","","","0.948","","","","has coordinates","198876","2020-10-21","18:00:00",""
"7043725","15.523","0.0004","19.4563","0.0005","13.024","0.0003","90","","91.028","0.002","90","","3932.88","0.17","110","2","110","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C39 H36 F12 N6 P2 Ru -","- C39 H36 F12 N6 P2 Ru -","- C156 H144 F48 N24 P8 Ru4 -","4","1","","Jang, Hyo Jin; Hopkins, Samantha L.; Siegler, Maxime A.; Bonnet, Sylvestre","Frontier orbitals of photosubstitutionally active ruthenium complexes: an experimental study of the spectator ligands’ electronic properties influence on photoreactivity","Dalton Trans.","2017","","","","","10.1039/C7DT01540B","","","0.71073","MoKα","","0.0513","0.0378","","","0.0856","0.0934","","","","","","1.035","","","","has coordinates,has disorder","198877","2020-10-21","18:00:00",""
"7043726","10.6593","0.0004","12.999","0.0005","13.7679","0.0006","83.443","0.003","73.885","0.003","69.727","0.003","1718.85","0.13","110","2","110","2","","","","","","","","6","P -1","-P 1","2","","","","- C30.41 H28.11 F12 N6.7 P2 Ru -","- C30.406 H28.109 F12 N6.703 P2 Ru -","- C60.812 H56.218 F24 N13.406 P4 Ru2 -","2","1","","Jang, Hyo Jin; Hopkins, Samantha L.; Siegler, Maxime A.; Bonnet, Sylvestre","Frontier orbitals of photosubstitutionally active ruthenium complexes: an experimental study of the spectator ligands’ electronic properties influence on photoreactivity","Dalton Trans.","2017","","","","","10.1039/C7DT01540B","","","1.54178","CuKα","","0.0357","0.0321","","","0.0811","0.0846","","","","","","1.014","","","","has coordinates,has disorder","198877","2020-10-21","18:00:00",""
"7043727","8.7205","0.0002","24.1351","0.0006","18.4535","0.0003","90","","101.672","0.002","90","","3803.6","0.15","110","2","110","2","","","","","","","","8","P 1 21/n 1","-P 2yn","14","","","","- C30 H23 Cl F12 N5 O P Ru -","- C30 H23 Cl F12 N5 O P Ru -","- C120 H92 Cl4 F48 N20 O4 P4 Ru4 -","4","1","","Jang, Hyo Jin; Hopkins, Samantha L.; Siegler, Maxime A.; Bonnet, Sylvestre","Frontier orbitals of photosubstitutionally active ruthenium complexes: an experimental study of the spectator ligands’ electronic properties influence on photoreactivity","Dalton Trans.","2017","","","","","10.1039/C7DT01540B","","","1.54178","CuKα","","0.0561","0.0422","","","0.1046","0.113","","","","","","1.022","","","","has coordinates,has disorder","198877","2020-10-21","18:00:00",""
"7043728","9.04902","0.00011","11.28288","0.00014","36.8264","0.0005","90","","90.8063","0.0011","90","","3759.57","0.08","110","2","110","2","","","","","","","","8","P 1 21/c 1","-P 2ybc","14","","","","- C33 H37 F12 N5 O2 P2 Ru S -","- C33 H37 F12.006 N5 O2 P2.001 Ru S -","- C132 H148 F48.024 N20 O8 P8.004 Ru4 S4 -","4","1","","Jang, Hyo Jin; Hopkins, Samantha L.; Siegler, Maxime A.; Bonnet, Sylvestre","Frontier orbitals of photosubstitutionally active ruthenium complexes: an experimental study of the spectator ligands’ electronic properties influence on photoreactivity","Dalton Trans.","2017","","","","","10.1039/C7DT01540B","","","1.54178","CuKα","","0.039","0.0331","","","0.0808","0.0844","","","","","","1.031","","","","has coordinates,has disorder","198877","2020-10-21","18:00:00",""
"7043729","12.175","0.0005","14.2168","0.0005","15.7813","0.0007","90","","95.737","0.004","90","","2717.9","0.19","110","2","110","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C29 H29 Cl2 N5 O Ru -","- C29 H29 Cl2 N5 O Ru -","- C116 H116 Cl8 N20 O4 Ru4 -","4","1","","Jang, Hyo Jin; Hopkins, Samantha L.; Siegler, Maxime A.; Bonnet, Sylvestre","Frontier orbitals of photosubstitutionally active ruthenium complexes: an experimental study of the spectator ligands’ electronic properties influence on photoreactivity","Dalton Trans.","2017","","","","","10.1039/C7DT01540B","","","1.54178","CuKα","","0.0512","0.0461","","","0.1215","0.125","","","","","","0.98","","","","has coordinates","198877","2020-10-21","18:00:00",""
"7043730","8.638","0.0005","21.5817","0.001","19.097","0.0008","90","","96.896","0.004","90","","3534.4","0.3","110","2","110","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C31 H23 F18 N7 P2 Ru -","- C31 H23 F18 N7 P2 Ru -","- C124 H92 F72 N28 P8 Ru4 -","4","1","","Jang, Hyo Jin; Hopkins, Samantha L.; Siegler, Maxime A.; Bonnet, Sylvestre","Frontier orbitals of photosubstitutionally active ruthenium complexes: an experimental study of the spectator ligands’ electronic properties influence on photoreactivity","Dalton Trans.","2017","","","","","10.1039/C7DT01540B","","","1.54178","CuKα","","0.0716","0.0588","","","0.1541","0.1601","","","","","","0.99","","","","has coordinates,has disorder","198877","2020-10-21","18:00:00",""
"7043731","34.6961","0.0006","34.6961","0.0006","16.7145","0.0003","90","","90","","120","","17425.5","0.5","110","2","110","2","","","","","","","","8","R -3 :H","-R 3","148","","","","- C30 H24 F18 N5 O P2 Ru S -","- C30 H24 F18 N5 O P2 Ru S -","- C540 H432 F324 N90 O18 P36 Ru18 S18 -","18","1","","Jang, Hyo Jin; Hopkins, Samantha L.; Siegler, Maxime A.; Bonnet, Sylvestre","Frontier orbitals of photosubstitutionally active ruthenium complexes: an experimental study of the spectator ligands’ electronic properties influence on photoreactivity","Dalton Trans.","2017","","","","","10.1039/C7DT01540B","","","1.54178","CuKα","","0.0583","0.0478","","","0.1274","0.1379","","","","","","1.022","","","","has coordinates,has disorder","198877","2020-10-21","18:00:00",""
"7043732","18.0695","0.0002","19.9997","0.0002","12.79332","0.00014","90","","106.844","0.0012","90","","4424.95","0.09","110","2","110","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C35 H28 F18 N6 O P2 Ru -","- C35 H28 F18 N6 O P2 Ru -","- C140 H112 F72 N24 O4 P8 Ru4 -","4","1","","Jang, Hyo Jin; Hopkins, Samantha L.; Siegler, Maxime A.; Bonnet, Sylvestre","Frontier orbitals of photosubstitutionally active ruthenium complexes: an experimental study of the spectator ligands’ electronic properties influence on photoreactivity","Dalton Trans.","2017","","","","","10.1039/C7DT01540B","","","1.54178","CuKα","","0.054","0.0464","","","0.1242","0.1316","","","","","","1.027","","","","has coordinates,has disorder","198877","2020-10-21","18:00:00",""
"7043733","11.001","0.005","28.854","0.005","18.858","0.005","90","","101.021","0.005","90","","5876","3","293","2","293","2","","","","","","","","8","P 1 21/n 1","-P 2yn","14","","","","- C53 H50 F3 N18 Ni2 O15.5 S Tb -","- C53 H50 F3 N18 Ni2 O15.5 S Tb -","- C212 H200 F12 N72 Ni8 O62 S4 Tb4 -","4","1","","Palacios, Maria A.; Morlieras, Jessica; Herrera, Juan Manuel; Mota, Antonio J.; Brechin, Euan K.; Triki, Smail; Colacio, Enrique","Synthetic ability of dinuclear mesocates containing 1,3-bis(diazinecarboxamide)benzene bridging ligands to form complexes of increased nuclearity. Crystal structures, magnetic properties and theoretical studies.","Dalton Trans.","2017","","","","","10.1039/C7DT02288C","","","0.71073","MoKα","","0.0728","0.047","","","0.1156","0.1289","","","","","","0.978","","","","has coordinates","198908","2020-10-21","18:00:00",""
"7043734","13.3895","0.0007","24.9529","0.0009","20.7809","0.001","90","","107.632","0.005","90","","6616.9","0.6","293","2","293","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C52 H53 Gd N19 Ni2 O17.5 -","- C52 H38 Gd N19 Ni2 O17.5 -","- C208 H152 Gd4 N76 Ni8 O70 -","4","1","","Palacios, Maria A.; Morlieras, Jessica; Herrera, Juan Manuel; Mota, Antonio J.; Brechin, Euan K.; Triki, Smail; Colacio, Enrique","Synthetic ability of dinuclear mesocates containing 1,3-bis(diazinecarboxamide)benzene bridging ligands to form complexes of increased nuclearity. Crystal structures, magnetic properties and theoretical studies.","Dalton Trans.","2017","","","","","10.1039/C7DT02288C","","","0.71073","MoKα","","0.1784","0.0648","","","0.1604","0.1843","","","","","","0.898","","","","has coordinates,has disorder","198908","2020-10-21","18:00:00",""
"7043735","18.9329","0.0004","20.4784","0.0004","25.2751","0.0005","92.0192","0.0016","98.658","0.0017","104.521","0.0016","9351.1","0.3","100","2","100","2","","","","","","","Maria Angeles Palacios Lopez","7","P -1","-P 1","2","","","","- C180 H144 Mn3 N42 Ni4 O18 P2 -","- C132 H114 Mn3 N42 Ni4 O18 -","- C264 H228 Mn6 N84 Ni8 O36 -","2","1","","Palacios, Maria A.; Morlieras, Jessica; Herrera, Juan Manuel; Mota, Antonio J.; Brechin, Euan K.; Triki, Smail; Colacio, Enrique","Synthetic ability of dinuclear mesocates containing 1,3-bis(diazinecarboxamide)benzene bridging ligands to form complexes of increased nuclearity. Crystal structures, magnetic properties and theoretical studies.","Dalton Trans.","2017","","","","","10.1039/C7DT02288C","","","1.5418","CuKα","","0.0765","0.0525","","","0.1457","0.165","","","","","","0.709","","","","has coordinates,has disorder","198908","2020-10-21","18:00:00",""
"7043736","7.6178","0.0019","11.658","0.003","11.819","0.003","116.889","0.005","100.695","0.005","101.227","0.005","872.2","0.4","100","","100","","","","","","","","","5","P -1","-P 1","2","","","","- C32 H28 Cu2 N12 O8 -","- C32 H28 Cu2 N12 O8 -","- C32 H28 Cu2 N12 O8 -","1","0.5","","Palacios, Maria A.; Morlieras, Jessica; Herrera, Juan Manuel; Mota, Antonio J.; Brechin, Euan K.; Triki, Smail; Colacio, Enrique","Synthetic ability of dinuclear mesocates containing 1,3-bis(diazinecarboxamide)benzene bridging ligands to form complexes of increased nuclearity. Crystal structures, magnetic properties and theoretical studies.","Dalton Trans.","2017","","","","","10.1039/C7DT02288C","","","0.71073","MoKα","","0.1195","0.0807","","","0.1881","0.2182","","","","","","0.978","","","","has coordinates","198908","2020-10-21","18:00:00",""
"7043737","13.9631","0.0004","13.9631","0.0004","21.1354","0.0014","90","","90","","120","","3568.7","0.3","298","2","298.15","","","","","","","","","6","P 63/m","-P 6c","176","","","","- C48 H67.5 N18 Na2.5 Ni2 O25 -","- C48 H46 N18 Na2.5 Ni2 O25.0003 -","- C96 H92 N36 Na5 Ni4 O50.0006 -","2","0.166667","","Palacios, Maria A.; Morlieras, Jessica; Herrera, Juan Manuel; Mota, Antonio J.; Brechin, Euan K.; Triki, Smail; Colacio, Enrique","Synthetic ability of dinuclear mesocates containing 1,3-bis(diazinecarboxamide)benzene bridging ligands to form complexes of increased nuclearity. Crystal structures, magnetic properties and theoretical studies.","Dalton Trans.","2017","","","","","10.1039/C7DT02288C","","","0.71073","MoKα","","0.0593","0.0524","","","0.1582","0.165","","","","","","1.085","","","","has coordinates,has disorder","198908","2020-10-21","18:00:00",""
"7043738","13.076","0.003","20.453","0.004","24.811","0.005","90","","96.72","0.03","90","","6590","2","100","","100","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C48 H76 N18 Ni3 O29 -","- C48 H72 N18 Ni3 O29 -","- C192 H288 N72 Ni12 O116 -","4","1","","Palacios, Maria A.; Morlieras, Jessica; Herrera, Juan Manuel; Mota, Antonio J.; Brechin, Euan K.; Triki, Smail; Colacio, Enrique","Synthetic ability of dinuclear mesocates containing 1,3-bis(diazinecarboxamide)benzene bridging ligands to form complexes of increased nuclearity. Crystal structures, magnetic properties and theoretical studies.","Dalton Trans.","2017","","","","","10.1039/C7DT02288C","","","0.71073","MoKα","","0.1582","0.0935","","","0.1697","0.1894","","","","","","1.107","","","","has coordinates,has disorder","198908","2020-10-21","18:00:00",""
"7043739","23.397","0.006","11.832","0.003","15.242","0.004","90","","99.617","0.005","90","","4160.2","1.9","273","2","273.15","","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C32 H40 Cu2 N12 O14 -","- C32 H40 Cu2 N12 O14 -","- C128 H160 Cu8 N48 O56 -","4","0.5","","Palacios, Maria A.; Morlieras, Jessica; Herrera, Juan Manuel; Mota, Antonio J.; Brechin, Euan K.; Triki, Smail; Colacio, Enrique","Synthetic ability of dinuclear mesocates containing 1,3-bis(diazinecarboxamide)benzene bridging ligands to form complexes of increased nuclearity. Crystal structures, magnetic properties and theoretical studies.","Dalton Trans.","2017","","","","","10.1039/C7DT02288C","","","0.71073","MoKα","","0.1072","0.0749","","","0.1742","0.1861","","","","","","1.113","","","","has coordinates","198908","2020-10-21","18:00:00",""
"7043740","13.2817","0.0006","24.8997","0.0008","20.709","0.0008","90","","107.977","0.005","90","","6514.3","0.5","293","2","293","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C52 H53 N19 Ni2 O17.5 Tb -","- C52 H38 N19 Ni2 O18 Tb -","- C208 H152 N76 Ni8 O72 Tb4 -","4","1","","Palacios, Maria A.; Morlieras, Jessica; Herrera, Juan Manuel; Mota, Antonio J.; Brechin, Euan K.; Triki, Smail; Colacio, Enrique","Synthetic ability of dinuclear mesocates containing 1,3-bis(diazinecarboxamide)benzene bridging ligands to form complexes of increased nuclearity. Crystal structures, magnetic properties and theoretical studies.","Dalton Trans.","2017","","","","","10.1039/C7DT02288C","","","0.71073","MoKα","","0.1427","0.0643","","","0.168","0.1927","","","","","","0.956","","","","has coordinates,has disorder","198908","2020-10-21","18:00:00",""
"7043741","35.9399","0.0012","9.2811","0.0003","21.8244","0.0007","90","","112.179","0.003","90","","6741.1","0.4","200","1","200","1","","","","","","","","7","C 1 2/c 1","-C 2yc","15","","","","- C72 H74 B2 F8 N10 O4 Zn -","- C72 H74 B2 F8 N10 O4 Zn -","- C288 H296 B8 F32 N40 O16 Zn4 -","4","0.5","","Soudry, Hannah; Desmarets, Christophe; Gontard, Geoffrey; Edgington, Tiffany; Cooksy, Andrew L.; Amouri, Hani","Chiral two bladed ML2 metallamacrocycles: design, structures and solution behavior","Dalton Trans.","2017","","","","","10.1039/C7DT01151B","","","1.54178","CuKα","","0.0831","0.048","","","0.1103","0.1246","","","","","","1.016","","","","has coordinates","198909","2020-10-21","18:00:00",""
"7043742","35.9304","0.0011","9.2813","0.0002","21.8455","0.0007","90","","112.173","0.001","90","","6746.3","0.3","200","1","200","1","","","","","","","","7","C 1 2/c 1","-C 2yc","15","","","","- C72 H74 B2 Co F8 N10 O4 -","- C72 H74 B2 Co F8 N10 O4 -","- C288 H296 B8 Co4 F32 N40 O16 -","4","0.5","","Soudry, Hannah; Desmarets, Christophe; Gontard, Geoffrey; Edgington, Tiffany; Cooksy, Andrew L.; Amouri, Hani","Chiral two bladed ML2 metallamacrocycles: design, structures and solution behavior","Dalton Trans.","2017","","","","","10.1039/C7DT01151B","","","0.71073","MoKα","","0.0785","0.0515","","","0.1306","0.1479","","","","","","1.023","","","","has coordinates","198909","2020-10-21","18:00:00",""
"7043743","17.551","0.004","17.551","0.004","12.722","0.004","90","","90","","120","","3393.8","1.5","295","2","295","2","","","","","","","","7","P -3","-P 3","147","","","","- C72 H124 Gd8 N12 Ni6 O74 S12 -","- C72 H83.9996 Gd8 N12 Ni6 O52 S12 -","- C72 H83.9996 Gd8 N12 Ni6 O52 S12 -","1","0.166667","","Feng, Ya-Nan; Tian, Chong-Bin; Du, Shaowu","A novel alb metalloring organic framework with a {Ni12Gd24} cage exhibiting significant magnetocaloric effect","Dalton Trans.","2017","","","","","10.1039/C7DT02358H","","","0.71073","MoKα","","0.0864","0.0671","","","0.1928","0.2068","","","","","","1.111","","","","has coordinates","198910","2020-10-21","18:00:00",""
"7043744","15.115","0.003","16.256","0.003","27.421","0.006","90","","105.521","0.004","90","","6492","2","296","2","296.15","","","","","","","","","8","P 1 21/c 1","-P 2ybc","14","","","","- C4 H82 As2 Ce4 N0 O123 P4 W22 -","- C4 H8 As2 Ce4 O123 P4 W22 -","- C8 H16 As4 Ce8 O246 P8 W44 -","2","0.5","","Ban, Ran; Sun, Xiaopeng; Wang, Jiawei; Ma, Pengtao; Zhang, Chao; Niu, Jingyang; Wang, Jingping","Polyoxotungstate incorporating organotriphosphonate ligands and lanthanide ions: syntheses, characterization, magnetism and photoluminescence properties.","Dalton transactions (Cambridge, England : 2003)","2017","","","","","10.1039/c7dt00615b","","","0.71073","MoKα","","0.1023","0.0563","","","0.1256","0.1486","","","","","","1.01","","","","has coordinates,has disorder","199016","2020-10-21","18:00:00",""
"7043745","14.9347","0.0013","16.0248","0.0014","27.3","0.002","90","","105.065","0.002","90","","6309","0.9","296","2","296.15","","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C4 H82 As2 Eu4 O123 P4 W22 -","- C4 H8 As2 Eu4 O123 P4 W22 -","- C8 H16 As4 Eu8 O246 P8 W44 -","2","0.5","","Ban, Ran; Sun, Xiaopeng; Wang, Jiawei; Ma, Pengtao; Zhang, Chao; Niu, Jingyang; Wang, Jingping","Polyoxotungstate incorporating organotriphosphonate ligands and lanthanide ions: syntheses, characterization, magnetism and photoluminescence properties.","Dalton transactions (Cambridge, England : 2003)","2017","","","","","10.1039/c7dt00615b","","","0.71073","MoKα","","0.0742","0.0464","","","0.1053","0.1186","","","","","","1.02","","","","has coordinates,has disorder","199016","2020-10-21","18:00:00",""
"7043746","14.988","0.004","16.101","0.004","27.404","0.007","90","","105.198","0.005","90","","6382","3","296","2","296.15","","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C4 H82 As2 O123 P4 Sm4 W22 -","- C4 H8 As2 O123 P4 Sm4 W22 -","- C8 H16 As4 O246 P8 Sm8 W44 -","2","0.5","","Ban, Ran; Sun, Xiaopeng; Wang, Jiawei; Ma, Pengtao; Zhang, Chao; Niu, Jingyang; Wang, Jingping","Polyoxotungstate incorporating organotriphosphonate ligands and lanthanide ions: syntheses, characterization, magnetism and photoluminescence properties.","Dalton transactions (Cambridge, England : 2003)","2017","","","","","10.1039/c7dt00615b","","","0.71073","MoKα","","0.1458","0.0751","","","0.1624","0.195","","","","","","1.032","","","","has coordinates,has disorder","199016","2020-10-21","18:00:00",""
"7043747","15.0882","0.0008","16.1848","0.0008","27.4294","0.0015","90","","105.479","0.001","90","","6455.3","0.6","296","2","296.15","","","","","","","","","8","P 1 21/c 1","-P 2ybc","14","","","","- C4 H82 As2 N0 Nd4 O123 P4 W22 -","- C4 H8 As2 Nd4 O123 P4 W22 -","- C8 H16 As4 Nd8 O246 P8 W44 -","2","0.5","","Ban, Ran; Sun, Xiaopeng; Wang, Jiawei; Ma, Pengtao; Zhang, Chao; Niu, Jingyang; Wang, Jingping","Polyoxotungstate incorporating organotriphosphonate ligands and lanthanide ions: syntheses, characterization, magnetism and photoluminescence properties.","Dalton transactions (Cambridge, England : 2003)","2017","","","","","10.1039/c7dt00615b","","","0.71073","MoKα","","0.0616","0.0399","","","0.0908","0.1002","","","","","","1.016","","","","has coordinates,has disorder","199016","2020-10-21","18:00:00",""
"7043748","8.7712","0.0003","10.3822","0.0004","21.7896","0.0006","79.571","0.003","84.553","0.002","75.646","0.003","1887.95","0.11","120.01","0.1","120.01","0.1","","","","","","","","6","P -1","-P 1","2","","","","- C16 H24 Cl6 Cu N8 Re -","- C16 H24 Cl6 Cu N8 Re -","- C48 H72 Cl18 Cu3 N24 Re3 -","3","1.5","","Brechin, Euan K.; Pedersen, Anders Hjordt H.; Julve, Miguel; Martínez-Lillo, José; Cano, Joan","Magneto-structural correlations in a family of ReIVCuII chains based on the hexachlororhenate(IV) metalloligand","Dalton Trans.","2017","","","","","10.1039/C7DT02216F","","x-ray","0.71073","MoKα","","0.0582","0.0378","","","0.0598","0.0694","","","","","","1.055","","","","has coordinates","199017","2020-10-21","18:00:00",""
"7043749","12.69636","0.00015","14.46868","0.00015","16.11703","0.00016","90","","101.421","0.0011","90","","2902.07","0.06","120","","120","","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C20 H24 Cl6 Cu N8 Re -","- C20 H24 Cl6 Cu N8 Re -","- C80 H96 Cl24 Cu4 N32 Re4 -","4","0.5","","Brechin, Euan K.; Pedersen, Anders Hjordt H.; Julve, Miguel; Martínez-Lillo, José; Cano, Joan","Magneto-structural correlations in a family of ReIVCuII chains based on the hexachlororhenate(IV) metalloligand","Dalton Trans.","2017","","","","","10.1039/C7DT02216F","","x-ray","0.71073","MoKα","","0.0371","0.0267","","","0.0421","0.0441","","","","","","1.14","","","","has coordinates,has disorder","199017","2020-10-21","18:00:00",""
"7043750","10.1219","0.0002","11.0652","0.0003","14.7016","0.0004","76.032","0.002","80.918","0.002","69.748","0.002","1494.12","0.07","292.61","0.1","292.61","0.1","","","","","","","","7","P -1","-P 1","2","","","","- C18 H32 Cl6 Cu N8 O2 Re -","- C18 H32 Cl6 Cu N8 O2 Re -","- C36 H64 Cl12 Cu2 N16 O4 Re2 -","2","1","","Brechin, Euan K.; Pedersen, Anders Hjordt H.; Julve, Miguel; Martínez-Lillo, José; Cano, Joan","Magneto-structural correlations in a family of ReIVCuII chains based on the hexachlororhenate(IV) metalloligand","Dalton Trans.","2017","","","","","10.1039/C7DT02216F","","x-ray","0.71073","MoKα","","0.0213","0.0192","","","0.0361","0.0367","","","","","","1.077","","","","has coordinates,has disorder","199017","2020-10-21","18:00:00",""
"7043751","9.46035","0.00013","14.5535","0.0002","9.73308","0.00013","90","","95.2788","0.0012","90","","1334.38","0.03","120","0.1","120","0.1","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C16 H20 Cl6 Cu N12 Re -","- C16 H20 Cl6 Cu N12 Re -","- C32 H40 Cl12 Cu2 N24 Re2 -","2","0.5","","Brechin, Euan K.; Pedersen, Anders Hjordt H.; Julve, Miguel; Martínez-Lillo, José; Cano, Joan","Magneto-structural correlations in a family of ReIVCuII chains based on the hexachlororhenate(IV) metalloligand","Dalton Trans.","2017","","","","","10.1039/C7DT02216F","","x-ray","0.71073","MoKα","","0.0279","0.0221","","","0.0378","0.0394","","","","","","1.151","","","","has coordinates","199017","2020-10-21","18:00:00",""
"7043752","19.3832","0.0002","18.6574","0.0002","10.60318","0.00013","90","","90","","90","","3834.54","0.07","293","2","293","2","","","","","","","","6","P c c n","-P 2ab 2ac","56","","","","- C28 H48 Cl6 Cu N8 Re -","- C28 H48 Cl6 Cu N8 Re -","- C112 H192 Cl24 Cu4 N32 Re4 -","4","0.5","","Brechin, Euan K.; Pedersen, Anders Hjordt H.; Julve, Miguel; Martínez-Lillo, José; Cano, Joan","Magneto-structural correlations in a family of ReIVCuII chains based on the hexachlororhenate(IV) metalloligand","Dalton Trans.","2017","","","","","10.1039/C7DT02216F","","x-ray","0.71073","MoKα","","0.0628","0.0514","","","0.0898","0.0933","","","","","","1.329","","","","has coordinates,has disorder","199017","2020-10-21","18:00:00",""
"7043753","8.46428","0.00019","8.5772","0.0002","9.7582","0.0002","95.043","0.002","91.8824","0.0019","90.111","0.002","705.31","0.03","119.99","0.1","119.99","0.1","","","","","","","","7","P -1","-P 1","2","","","","- C14 H31 Cl6 Cu N5 O4 Re -","- C14 H31 Cl6 Cu N5 O4 Re -","- C14 H31 Cl6 Cu N5 O4 Re -","1","0.5","","Brechin, Euan K.; Pedersen, Anders Hjordt H.; Julve, Miguel; Martínez-Lillo, José; Cano, Joan","Magneto-structural correlations in a family of ReIVCuII chains based on the hexachlororhenate(IV) metalloligand","Dalton Trans.","2017","","","","","10.1039/C7DT02216F","","x-ray","0.71073","MoKα","","0.0207","0.0204","","","0.0473","0.0475","","","","","","1.068","","","","has coordinates,has disorder","199017","2020-10-21","18:00:00",""
"7043754","11.7724","0.0007","13.4029","0.0008","16.1636","0.001","88.036","0.003","89.589","0.003","76.942","0.003","2483","0.3","152","2","152","2","","","","","","","","3","P -1","-P 1","2","","","","- C55 H76 Si2 -","- C55 H76 Si2 -","- C110 H152 Si4 -","2","1","","Obeid, Naim M.; Klemmer, Lukas; Maus, Daniel; Zimmer, Michael; Jeck, Jonathan; Bejan, Iulia; White, Andrew J. P.; Huch, Volker; Jung, Gregor; Scheschkewitz, David","(Oligo)aromatic species with one or two conjugated Si[double bond, length as m-dash]Si bonds: near-IR emission of anthracenyl-bridged tetrasiladiene.","Dalton transactions (Cambridge, England : 2003)","2017","","","","","10.1039/c7dt00397h","","","0.71073","MoKα","","0.067","0.0534","","","0.1392","0.1506","","","","","","1.03","","","","has coordinates,has disorder","199018","2020-10-21","18:00:00",""
"7043755","11.0556","0.0012","13.8116","0.0015","20.163","0.002","76.026","0.004","80.911","0.004","72.584","0.003","2838.5","0.5","123","2","123","2","","","","","","","","3","P -1","-P 1","2","","","","- C128 H170 Si4 -","- C128 H170 Si4 -","- C128 H170 Si4 -","1","0.5","","Obeid, Naim M.; Klemmer, Lukas; Maus, Daniel; Zimmer, Michael; Jeck, Jonathan; Bejan, Iulia; White, Andrew J. P.; Huch, Volker; Jung, Gregor; Scheschkewitz, David","(Oligo)aromatic species with one or two conjugated Si[double bond, length as m-dash]Si bonds: near-IR emission of anthracenyl-bridged tetrasiladiene.","Dalton transactions (Cambridge, England : 2003)","2017","","","","","10.1039/c7dt00397h","","","0.71073","MoKα","","0.085","0.0524","","","0.1197","0.1391","","","","","","1.033","","","","has coordinates,has disorder","199018","2020-10-21","18:00:00",""
"7043756","37.053","0.005","18.096","0.002","15.4097","0.0018","90","","111.333","0.007","90","","9624","2","122","2","122","2","","","","","","","","3","C 1 2/c 1","-C 2yc","15","","","","- C102 H146 Si4 -","- C102 H146 Si4 -","- C408 H584 Si16 -","4","0.5","","Obeid, Naim M.; Klemmer, Lukas; Maus, Daniel; Zimmer, Michael; Jeck, Jonathan; Bejan, Iulia; White, Andrew J. P.; Huch, Volker; Jung, Gregor; Scheschkewitz, David","(Oligo)aromatic species with one or two conjugated Si[double bond, length as m-dash]Si bonds: near-IR emission of anthracenyl-bridged tetrasiladiene.","Dalton transactions (Cambridge, England : 2003)","2017","","","","","10.1039/c7dt00397h","","","0.71073","MoKα","","0.1098","0.0521","","","0.1053","0.1278","","","","","","1.016","","","","has coordinates","199018","2020-10-21","18:00:00",""
"7043757","10.9487","0.0006","12.7883","0.0008","21.4719","0.0014","83.163","0.003","77.072","0.003","65.079","0.003","2656.3","0.3","192","2","192","2","","","","","","","","3","P -1","-P 1","2","","","","- C119 H161 Si4 -","- C119 H161 Si4 -","- C119 H161 Si4 -","1","0.5","","Obeid, Naim M.; Klemmer, Lukas; Maus, Daniel; Zimmer, Michael; Jeck, Jonathan; Bejan, Iulia; White, Andrew J. P.; Huch, Volker; Jung, Gregor; Scheschkewitz, David","(Oligo)aromatic species with one or two conjugated Si[double bond, length as m-dash]Si bonds: near-IR emission of anthracenyl-bridged tetrasiladiene.","Dalton transactions (Cambridge, England : 2003)","2017","","","","","10.1039/c7dt00397h","","","0.71073","MoKα","","0.1009","0.0596","","","0.147","0.1667","","","","","","1.028","","","","has coordinates,has disorder","199018","2020-10-21","18:00:00",""
"7043758","12.8482","0.0009","13.2841","0.0012","17.9857","0.0014","109.835","0.004","101.906","0.004","97.497","0.004","2757.7","0.4","163","2","163","2","","","","","","","","3","P -1","-P 1","2","","","","- C58 H89 Si2 -","- C58 H88.5 Si2 -","- C116 H177 Si4 -","2","1","","Obeid, Naim M.; Klemmer, Lukas; Maus, Daniel; Zimmer, Michael; Jeck, Jonathan; Bejan, Iulia; White, Andrew J. P.; Huch, Volker; Jung, Gregor; Scheschkewitz, David","(Oligo)aromatic species with one or two conjugated Si[double bond, length as m-dash]Si bonds: near-IR emission of anthracenyl-bridged tetrasiladiene.","Dalton transactions (Cambridge, England : 2003)","2017","","","","","10.1039/c7dt00397h","","","0.71073","MoKα","","0.0888","0.0553","","","0.1364","0.1545","","","","","","1.038","","","","has coordinates,has disorder","199018","2020-10-21","18:00:00",""
"7043759","14.5604","0.0003","18.2609","0.0004","19.9406","0.0004","98.333","0.0017","102.482","0.0018","91.856","0.0017","5110.8","0.19","173","2","173","2","","","","","","","","3","P -1","-P 1","2","","","","- C54 H80 Si2 -","- C54 H80 Si2 -","- C216 H320 Si8 -","4","2","","Obeid, Naim M.; Klemmer, Lukas; Maus, Daniel; Zimmer, Michael; Jeck, Jonathan; Bejan, Iulia; White, Andrew J. P.; Huch, Volker; Jung, Gregor; Scheschkewitz, David","(Oligo)aromatic species with one or two conjugated Si[double bond, length as m-dash]Si bonds: near-IR emission of anthracenyl-bridged tetrasiladiene.","Dalton transactions (Cambridge, England : 2003)","2017","","","","","10.1039/c7dt00397h","","","0.71073","MoKα","","0.0951","0.0658","","","0.1653","0.1874","","","","","","1.023","","","","has coordinates,has disorder","199018","2020-10-21","18:00:00",""
"7043760","14.5999","0.0009","19.1502","0.0011","20.8629","0.0013","95.878","0.003","101.103","0.003","96.251","0.003","5644.2","0.6","122","2","122","2","","","","","","","","3","P -1","-P 1","2","","","","- C63 H85.5 Si2 -","- C63 H85.5 Si2 -","- C252 H342 Si8 -","4","2","","Obeid, Naim M.; Klemmer, Lukas; Maus, Daniel; Zimmer, Michael; Jeck, Jonathan; Bejan, Iulia; White, Andrew J. P.; Huch, Volker; Jung, Gregor; Scheschkewitz, David","(Oligo)aromatic species with one or two conjugated Si[double bond, length as m-dash]Si bonds: near-IR emission of anthracenyl-bridged tetrasiladiene.","Dalton transactions (Cambridge, England : 2003)","2017","","","","","10.1039/c7dt00397h","","","0.71073","MoKα","","0.2892","0.2122","","","0.2552","0.2733","","","","","","1.606","","","","has coordinates,has disorder","199018","2020-10-21","18:00:00",""
"7043761","10.4614","0.0005","16.0181","0.0007","18.0405","0.0009","114.713","0.001","98.755","0.001","93.023","0.002","2691.3","0.2","122","2","122","2","","","","","","","","3","P -1","-P 1","2","","","","- C118 H162 Si4 -","- C118 H162 Si4 -","- C118 H162 Si4 -","1","0.5","","Obeid, Naim M.; Klemmer, Lukas; Maus, Daniel; Zimmer, Michael; Jeck, Jonathan; Bejan, Iulia; White, Andrew J. P.; Huch, Volker; Jung, Gregor; Scheschkewitz, David","(Oligo)aromatic species with one or two conjugated Si[double bond, length as m-dash]Si bonds: near-IR emission of anthracenyl-bridged tetrasiladiene.","Dalton transactions (Cambridge, England : 2003)","2017","","","","","10.1039/c7dt00397h","","","0.71073","MoKα","","0.0844","0.0623","","","0.1567","0.1683","","","","","","1.254","","","","has coordinates,has disorder","199018","2020-10-21","18:00:00",""
"7043762","11.0387","0.0015","11.4508","0.0014","17.549","0.002","92.68","0.005","90.194","0.005","90.255","0.005","2215.8","0.5","296","2","296","2","","","","","","","","5","P -1","-P 1","2","F3C56Cl","","","- C52 H48 Fe5 O2 Si2 -","- C52 H48 Fe5 O2 Si2 -","- C104 H96 Fe10 O4 Si4 -","2","1","","Bruña, Sonia; Gonzalez Vadillo, Ana Maria; Ferrández, Marta; Perles, Josefina; Montero-Campillo, M. Merced; Otilia, Mó; CUADRADO, ISABEL","Formation of Unexpected Silicon- and Disiloxane-Bridged Multiferrocenyl Derivatives Bearing Si-O-CH=CH2 and Si-(CH2)2C(CH3)3 Substituents via Cleavage of Tetrahydrofuran and Trapping of its Ring Fragments","Dalton Trans.","2017","","","","","10.1039/C7DT02286G","","","0.71073","","","0.0914","0.0536","","","0.1288","0.1714","","","","","","1.08","","","","has coordinates","199019","2020-10-21","18:00:00",""
"7043763","12.9028","0.0004","21.3942","0.0006","14.7802","0.0004","90","","110.413","0.001","90","","3823.79","0.19","296","2","296","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","F3C56Cl_oct","","","- C44 H42 Fe4 O3 Si2 -","- C44 H42 Fe4 O3 Si2 -","- C176 H168 Fe16 O12 Si8 -","4","1","","Bruña, Sonia; Gonzalez Vadillo, Ana Maria; Ferrández, Marta; Perles, Josefina; Montero-Campillo, M. Merced; Otilia, Mó; CUADRADO, ISABEL","Formation of Unexpected Silicon- and Disiloxane-Bridged Multiferrocenyl Derivatives Bearing Si-O-CH=CH2 and Si-(CH2)2C(CH3)3 Substituents via Cleavage of Tetrahydrofuran and Trapping of its Ring Fragments","Dalton Trans.","2017","","","","","10.1039/C7DT02286G","","","0.71073","","","0.0351","0.0268","","","0.0852","0.1083","","","","","","1.004","","","","has coordinates","199019","2020-10-21","18:00:00",""
"7043764","7.548","0.0001","10.8128","0.0002","12.8883","0.0002","71.763","0.001","74.408","0.001","86.198","0.001","962.1","0.03","296","2","296","2","","","","","","","","5","P -1","-P 1","2","Fc2OH","","","- C22 H22 Fe2 O Si -","- C22 H22 Fe2 O Si -","- C44 H44 Fe4 O2 Si2 -","2","1","","Bruña, Sonia; Gonzalez Vadillo, Ana Maria; Ferrández, Marta; Perles, Josefina; Montero-Campillo, M. Merced; Otilia, Mó; CUADRADO, ISABEL","Formation of Unexpected Silicon- and Disiloxane-Bridged Multiferrocenyl Derivatives Bearing Si-O-CH=CH2 and Si-(CH2)2C(CH3)3 Substituents via Cleavage of Tetrahydrofuran and Trapping of its Ring Fragments","Dalton Trans.","2017","","","","","10.1039/C7DT02286G","","","0.71073","","","0.0422","0.0313","","","0.0956","0.1221","","","","","","1","","","","has coordinates","199019","2020-10-21","18:00:00",""
"7043765","7.5488","0.0002","11.3227","0.0002","12.7162","0.0003","79.503","0.001","84.097","0.001","82.215","0.001","1055.44","0.04","296","2","296","2","","","","","","","","5","P -1","-P 1","2","D10F5+F6","","","- C24 H24 Fe2 O Si -","- C24 H24 Fe2 O Si -","- C48 H48 Fe4 O2 Si2 -","2","1","","Bruña, Sonia; Gonzalez Vadillo, Ana Maria; Ferrández, Marta; Perles, Josefina; Montero-Campillo, M. Merced; Otilia, Mó; CUADRADO, ISABEL","Formation of Unexpected Silicon- and Disiloxane-Bridged Multiferrocenyl Derivatives Bearing Si-O-CH=CH2 and Si-(CH2)2C(CH3)3 Substituents via Cleavage of Tetrahydrofuran and Trapping of its Ring Fragments","Dalton Trans.","2017","","","","","10.1039/C7DT02286G","","","0.71073","","","0.0584","0.0399","","","0.1199","0.1447","","","","","","1","","","","has coordinates","199019","2020-10-21","18:00:00",""
"7043766","12.7847","0.0004","15.1066","0.0004","15.2614","0.0005","96.779","0.001","108.237","0.002","111.313","0.001","2516.9","0.14","296","2","296","2","","","","","","","","4","P -1","-P 1","2","C5","","","- C28 H34 Fe2 Si -","- C28 H34 Fe2 Si -","- C112 H136 Fe8 Si4 -","4","2","","Bruña, Sonia; Gonzalez Vadillo, Ana Maria; Ferrández, Marta; Perles, Josefina; Montero-Campillo, M. Merced; Otilia, Mó; CUADRADO, ISABEL","Formation of Unexpected Silicon- and Disiloxane-Bridged Multiferrocenyl Derivatives Bearing Si-O-CH=CH2 and Si-(CH2)2C(CH3)3 Substituents via Cleavage of Tetrahydrofuran and Trapping of its Ring Fragments","Dalton Trans.","2017","","","","","10.1039/C7DT02286G","","","0.71073","","","0.0567","0.039","","","0.1161","0.1401","","","","","","1","","","","has coordinates","199019","2020-10-21","18:00:00",""
"7043767","15.523","0.009","17.69","0.011","28.487","0.017","99.08","0.02","102.73","0.02","103.53","0.02","7235","8","100","2","100.15","","","","","","","","","5","P -1","-P 1","2","","","","- C78 H100 N2 S Si2 -","- C78 H100 N2 S Si2 -","- C312 H400 N8 S4 Si8 -","4","2","","Islam, Sk Najmul; Sil, Amit; Patra, Sanjib K.","Achieving yellow emission by varying the donor/acceptor units in rod-shaped fluorenyl-alkynyl based π-conjugated oligomers and their binuclear gold(i) alkynyl complexes.","Dalton transactions (Cambridge, England : 2003)","2017","","","","","10.1039/c7dt00895c","","","0.71073","MoKα","","0.47","0.1749","","","0.3995","0.5827","","","","","","1.007","","","","has coordinates,has disorder","199020","2020-10-21","18:00:00",""
"7043768","16.189","0.0003","20.1148","0.0004","23.3716","0.0004","90","","90","","90","","7610.7","0.2","100","2","100","","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C73 H103 N18 O8 Pr3 -","- C73 H103 N18 O8 Pr3 -","- C292 H412 N72 O32 Pr12 -","4","1","","Werner, Daniel; Deacon, Glen B.; Junk, Peter C.; Anwander, Reiner","Pyrazolates advance cerium chemistry: a Ce(III)/Ce(IV) redox equilibrium with benzoquinone.","Dalton transactions (Cambridge, England : 2003)","2017","","","","","10.1039/c7dt00635g","","","0.71073","MoKα","","0.0376","0.03","","","0.055","0.0578","","","","","","1.067","","","","has coordinates","199021","2020-10-21","18:00:00",""
"7043769","11.6469","0.0015","11.8705","0.0015","19.205","0.002","91.7846","0.0017","96.5974","0.0017","114.099","0.0016","2398.8","0.5","100.15","","100.15","","","","","","","","","4","P -1","-P 1","2","","","","- C43.5 H60 Ce2 N16 -","- C43.5 H60 Ce2 N16 -","- C87 H120 Ce4 N32 -","2","1","","Werner, Daniel; Deacon, Glen B.; Junk, Peter C.; Anwander, Reiner","Pyrazolates advance cerium chemistry: a Ce(III)/Ce(IV) redox equilibrium with benzoquinone.","Dalton transactions (Cambridge, England : 2003)","2017","","","","","10.1039/c7dt00635g","","","0.71073","MoKα","","0.0455","0.0308","","","0.0616","0.0675","","","","","","1.013","","","","has coordinates,has disorder","199021","2020-10-21","18:00:00",""
"7043770","11.1911","0.001","15.5304","0.0014","20.5161","0.0018","96.113","0.001","94.726","0.001","106.015","0.001","3384.5","0.5","100","2","99.9","","","","","","","","","5","P -1","-P 1","2","","","","- C62 H79 Ce3 N20 O4 -","- C62 H79 Ce3 N20 O4 -","- C124 H158 Ce6 N40 O8 -","2","1","","Werner, Daniel; Deacon, Glen B.; Junk, Peter C.; Anwander, Reiner","Pyrazolates advance cerium chemistry: a Ce(III)/Ce(IV) redox equilibrium with benzoquinone.","Dalton transactions (Cambridge, England : 2003)","2017","","","","","10.1039/c7dt00635g","","","0.71073","MoKα","","0.0409","0.0279","","","0.0548","0.0588","","","","","","1.012","","","","has coordinates","199021","2020-10-21","18:00:00",""
"7043771","16.2907","0.0016","20.1796","0.0019","23.505","0.002","90","","90","","90","","7727","1.2","150","","150","","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C71 H99 Ce3 N18 O7.5 -","- C71 H99 Ce3 N18 O7.5 -","- C284 H396 Ce12 N72 O30 -","4","1","","Werner, Daniel; Deacon, Glen B.; Junk, Peter C.; Anwander, Reiner","Pyrazolates advance cerium chemistry: a Ce(III)/Ce(IV) redox equilibrium with benzoquinone.","Dalton transactions (Cambridge, England : 2003)","2017","","","","","10.1039/c7dt00635g","","","0.71073","MoKα","","0.041","0.0322","","","0.0795","0.0838","","","","","","1.109","","","","has coordinates,has disorder","199021","2020-10-21","18:00:00",""
"7043772","61.727","0.006","61.727","0.006","12.5925","0.0018","90","","90","","120","","41552","8","150.02","","150.02","","","","","","","","","5","R -3","-R 3","148","","","","- C119 H159 La6 N30 O13 -","- C114 H152 La6 N28 O13 -","- C1026 H1368 La54 N252 O117 -","9","","","Werner, Daniel; Deacon, Glen B.; Junk, Peter C.; Anwander, Reiner","Pyrazolates advance cerium chemistry: a Ce(III)/Ce(IV) redox equilibrium with benzoquinone.","Dalton transactions (Cambridge, England : 2003)","2017","","","","","10.1039/c7dt00635g","","","0.71073","MoKα","","0.0642","0.0525","","","0.149","0.1549","","","","","","1.055","","","","has coordinates,has disorder","199021","2020-10-21","18:00:00",""
"7043773","16.322","0.0006","20.2156","0.0006","23.5719","0.0007","90","","90","","90","","7777.8","0.4","150","","150","","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C73 H103 La3 N18 O8 -","- C73 H103 La3 N18 O8 -","- C292 H412 La12 N72 O32 -","4","1","","Werner, Daniel; Deacon, Glen B.; Junk, Peter C.; Anwander, Reiner","Pyrazolates advance cerium chemistry: a Ce(III)/Ce(IV) redox equilibrium with benzoquinone.","Dalton transactions (Cambridge, England : 2003)","2017","","","","","10.1039/c7dt00635g","","","0.71073","MoKα","","0.0424","0.0291","","","0.0493","0.0539","","","","","","1.01","","","","has coordinates,has disorder","199021","2020-10-21","18:00:00",""
"7043774","17.9544","0.0004","18.6568","0.0004","26.6336","0.0006","90","","107.697","0.0013","90","","8499.3","0.3","100.15","","100.15","","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C79 H115 Ce3 N18 O9.5 -","- C79 H115 Ce3 N18 O9.5 -","- C316 H460 Ce12 N72 O38 -","4","1","","Werner, Daniel; Deacon, Glen B.; Junk, Peter C.; Anwander, Reiner","Pyrazolates advance cerium chemistry: a Ce(III)/Ce(IV) redox equilibrium with benzoquinone.","Dalton transactions (Cambridge, England : 2003)","2017","","","","","10.1039/c7dt00635g","","","0.71073","MoKα","","0.086","0.0423","","","0.0908","0.1169","","","","","","0.956","","","","has coordinates,has disorder","199021","2020-10-21","18:00:00",""
"7043775","20.0706","0.0017","12.748","0.0011","18.5268","0.0016","90","","90","","90","","4740.3","0.7","173.1","","173.1","","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C44 H76 Ce N8 -","- C44 H76 Ce N8 -","- C176 H304 Ce4 N32 -","4","1","","Werner, Daniel; Deacon, Glen B.; Junk, Peter C.; Anwander, Reiner","Pyrazolates advance cerium chemistry: a Ce(III)/Ce(IV) redox equilibrium with benzoquinone.","Dalton transactions (Cambridge, England : 2003)","2017","","","","","10.1039/c7dt00635g","","","0.71073","MoKα","","0.0414","0.0391","","","0.081","0.0819","","","","","","1.185","","","","has coordinates,has disorder","199021","2020-10-21","18:00:00",""
"7043776","15.978","0.003","36.827","0.006","14.593","0.003","90","","96.918","0.005","90","","8524","3","100.15","","100.15","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C166 H206 La8 N40 O12 -","- C166 H206 La8 N40 O12 -","- C332 H412 La16 N80 O24 -","2","0.5","","Werner, Daniel; Deacon, Glen B.; Junk, Peter C.; Anwander, Reiner","Pyrazolates advance cerium chemistry: a Ce(III)/Ce(IV) redox equilibrium with benzoquinone.","Dalton transactions (Cambridge, England : 2003)","2017","","","","","10.1039/c7dt00635g","","","0.71073","MoKα","","0.1669","0.0714","","","0.1211","0.158","","","","","","0.942","","","","has coordinates","199021","2020-10-21","18:00:00",""
"7043777","12.4097","0.001","13.7574","0.0011","13.9173","0.0011","119.181","0.001","96.412","0.001","95.275","0.001","2031.9","0.3","100.15","","100.15","","","","","","","","","4","P -1","-P 1","2","","","","- C80 H130 Ce2 N12 -","- C80 H130 Ce2 N12 -","- C80 H130 Ce2 N12 -","1","0.5","","Werner, Daniel; Deacon, Glen B.; Junk, Peter C.; Anwander, Reiner","Pyrazolates advance cerium chemistry: a Ce(III)/Ce(IV) redox equilibrium with benzoquinone.","Dalton transactions (Cambridge, England : 2003)","2017","","","","","10.1039/c7dt00635g","","","0.71073","MoKα","","0.0402","0.0309","","","0.0684","0.0724","","","","","","1.038","","","","has coordinates,has disorder","199021","2020-10-21","18:00:00",""
"7043778","8.211","0.007","11.779","0.011","11.954","0.011","95.645","0.013","100.928","0.012","97.98","0.012","1114.9","1.7","90","2","90","2","","","","","","","","5","P -1","-P 1","2","[Fe(azp)(qsal)]0.5MeOH","","","- C28.5 H21 Fe N4 O3.5 -","- C28.5 H20.5 Fe N4 O3.5 -","- C57 H41 Fe2 N8 O7 -","2","1","","Murata, Suguru; Takahashi, Kazuyuki; Mochida, Tomoyuki; Sakurai, Takahiro; Ohta, Hitoshi; Yamamoto, Takashi; Einaga, Yasuaki","Cooperative spin-crossover transition from three-dimensional purely π-stacking interactions in a neutral heteroleptic azobisphenolate Fe(III) complex with a N3O3 coordination sphere.","Dalton transactions (Cambridge, England : 2003)","2017","","","","","10.1039/c7dt01030c","","","0.71073","MoKα","","0.0926","0.0737","","","0.1859","0.2032","","","","","","1.047","","","","has coordinates,has disorder","199022","2020-10-21","18:00:00",""
"7043779","8.3517","0.0012","11.4955","0.0017","12.5888","0.0018","99.329","0.002","100.429","0.002","95.311","0.002","1163.6","0.3","273","2","273","2","","","","","","","","5","P -1","-P 1","2","[Fe(azp)(qsal)2]0.5MeOH","","","- C28.5 H21 Fe N4 O3.5 -","- C28.5 H20.5 Fe N4 O3.5 -","- C57 H41 Fe2 N8 O7 -","2","1","","Murata, Suguru; Takahashi, Kazuyuki; Mochida, Tomoyuki; Sakurai, Takahiro; Ohta, Hitoshi; Yamamoto, Takashi; Einaga, Yasuaki","Cooperative spin-crossover transition from three-dimensional purely π-stacking interactions in a neutral heteroleptic azobisphenolate Fe(III) complex with a N3O3 coordination sphere.","Dalton transactions (Cambridge, England : 2003)","2017","","","","","10.1039/c7dt01030c","","","0.71073","MoKα","","0.0707","0.0567","","","0.1334","0.1435","","","","","","1.045","","","","has coordinates,has disorder","199022","2020-10-21","18:00:00",""
"7043780","9.6725","0.0004","11.3305","0.0004","14.4827","0.0006","101.512","0.002","100.403","0.002","101.893","0.002","1480.67","0.1","173","2","173","2","","","","","","","","6","P -1","-P 1","2","","","","- C33 H36 B N2 O2 P -","- C33 H36 B N2 O2 P -","- C66 H72 B2 N4 O4 P2 -","2","1","","Geier, Stephen; LaFortune, James; Zhu, Diya; Kosnik, Stephanie C.; Macdonald, Charles L. B.; Stephan, Douglas W.; Westcott, Steve","The Phosphinoboration of Carbodiimides, Isocyanates, Isothiocyanates and CO2","Dalton Trans.","2017","","","","","10.1039/C7DT02305G","","","0.71073","MoKα","","0.0736","0.043","","","0.0847","0.0961","","","","","","1.032","","","","has coordinates","199023","2020-10-21","18:00:00",""
"7043781","10.7605","0.0004","11.2811","0.0004","12.5055","0.0004","111.655","0.001","98.38","0.002","110.889","0.001","1249.14","0.08","173","2","173","2","","","","","","","","6","P -1","-P 1","2","","","","- C25 H36 B N2 O2 P -","- C25 H36 B N2 O2 P -","- C50 H72 B2 N4 O4 P2 -","2","1","","Geier, Stephen; LaFortune, James; Zhu, Diya; Kosnik, Stephanie C.; Macdonald, Charles L. B.; Stephan, Douglas W.; Westcott, Steve","The Phosphinoboration of Carbodiimides, Isocyanates, Isothiocyanates and CO2","Dalton Trans.","2017","","","","","10.1039/C7DT02305G","","","0.71073","MoKα","","0.0713","0.0447","","","0.0916","0.1012","","","","","","1.048","","","","has coordinates","199023","2020-10-21","18:00:00",""
"7043782","10.6648","0.0007","34.271","0.002","9.4843","0.0006","90","","90","","90","","3466.4","0.4","143","2","143","2","","","","","","","","5","I b a 2","I 2 -2c","45","","","","- C19 H22 N O P -","- C19 H22 N O P -","- C152 H176 N8 O8 P8 -","8","1","","Geier, Stephen; LaFortune, James; Zhu, Diya; Kosnik, Stephanie C.; Macdonald, Charles L. B.; Stephan, Douglas W.; Westcott, Steve","The Phosphinoboration of Carbodiimides, Isocyanates, Isothiocyanates and CO2","Dalton Trans.","2017","","","","","10.1039/C7DT02305G","","","0.71073","MoKα","","0.058","0.0487","","","0.1164","0.1301","","","","","","1.202","","","","has coordinates","199023","2020-10-21","18:00:00",""
"7043783","6.2343","0.001","9.4532","0.0013","17.992","0.003","86.725","0.005","89.957","0.006","84.737","0.005","1054.1","0.3","170","2","170","2","","","","","","","","6","P -1","-P 1","2","","","","- C21 H27 B N O3 P -","- C21 H27 B N O3 P -","- C42 H54 B2 N2 O6 P2 -","2","1","","Geier, Stephen; LaFortune, James; Zhu, Diya; Kosnik, Stephanie C.; Macdonald, Charles L. B.; Stephan, Douglas W.; Westcott, Steve","The Phosphinoboration of Carbodiimides, Isocyanates, Isothiocyanates and CO2","Dalton Trans.","2017","","","","","10.1039/C7DT02305G","","","0.71073","MoKα","","0.0483","0.0374","","","0.0881","0.0952","","","","","","1.041","","","","has coordinates","199023","2020-10-21","18:00:00",""
"7043784","9.5854","0.0007","9.7989","0.0008","15.9177","0.0014","75.187","0.003","80.891","0.003","63.041","0.003","1286.77","0.18","170","2","170","2","","","","","","","","6","P -1","-P 1","2","","","","- C23 H31 B N O3 P -","- C23 H31 B N O3 P -","- C46 H62 B2 N2 O6 P2 -","2","1","","Geier, Stephen; LaFortune, James; Zhu, Diya; Kosnik, Stephanie C.; Macdonald, Charles L. B.; Stephan, Douglas W.; Westcott, Steve","The Phosphinoboration of Carbodiimides, Isocyanates, Isothiocyanates and CO2","Dalton Trans.","2017","","","","","10.1039/C7DT02305G","","","0.71073","MoKα","","0.0556","0.0417","","","0.1047","0.1158","","","","","","1.041","","","","has coordinates","199023","2020-10-21","18:00:00",""
"7043785","10.3603","0.0012","17.128","0.0019","26.966","0.003","92.761","0.004","93.308","0.004","90.282","0.004","4771.5","0.9","170","2","170","2","","","","","","","","7","P -1","-P 1","2","","","","- C23 H31 B N O2 P S -","- C23 H31 B N O2 P S -","- C184 H248 B8 N8 O16 P8 S8 -","8","4","","Geier, Stephen; LaFortune, James; Zhu, Diya; Kosnik, Stephanie C.; Macdonald, Charles L. B.; Stephan, Douglas W.; Westcott, Steve","The Phosphinoboration of Carbodiimides, Isocyanates, Isothiocyanates and CO2","Dalton Trans.","2017","","","","","10.1039/C7DT02305G","","","0.71073","MoKα","","0.0688","0.0595","","","0.1444","0.1507","","","","","","1.099","","","","has coordinates,has disorder","199023","2020-10-21","18:00:00",""
"7043786","9.1877","0.0003","11.2375","0.0003","18.5799","0.0005","85.985","0.001","77.649","0.001","77.783","0.002","1830.86","0.09","100","2","100","","","","","","","","","5","P -1","-P 1","2","","","","- C36 H53 Mg N3 Si2 -","- C36 H53 Mg N3 Si2 -","- C72 H106 Mg2 N6 Si4 -","2","1","","Baishya, Ashim; Peddarao, Thota; Nembenna, Sharanappa","Organomagnesium amide catalyzed cross-dehydrocoupling of organosilanes with amines.","Dalton transactions (Cambridge, England : 2003)","2017","","","","","10.1039/c7dt00806f","","","0.71073","MoKα","","0.0736","0.0505","","","0.1344","0.1521","","","","","","1.04","","","","has coordinates","199024","2020-10-21","18:00:00",""
"7043787","9.477","0.0004","12.9087","0.0006","18.2858","0.0008","72.347","0.003","76.154","0.003","89.454","0.003","2064.92","0.16","100","2","100","","","","","","","","","5","P -1","-P 1","2","","","","- C42 H59 Mg N3 Si2 -","- C42 H59 Mg N3 Si2 -","- C84 H118 Mg2 N6 Si4 -","2","1","","Baishya, Ashim; Peddarao, Thota; Nembenna, Sharanappa","Organomagnesium amide catalyzed cross-dehydrocoupling of organosilanes with amines.","Dalton transactions (Cambridge, England : 2003)","2017","","","","","10.1039/c7dt00806f","","","0.71073","MoKα","","0.0836","0.05","","","0.1242","0.1436","","","","","","1.032","","","","has coordinates,has disorder","199024","2020-10-21","18:00:00",""
"7043788","13.05","0.002","13.181","0.002","11.5502","0.0019","90","","112.782","0.002","90","","1831.8","0.5","296","2","296","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C30 H44 Br2 N6 Ni2 O8 -","- C30 H42 Br2 N4 Ni2 O10 -","- C60 H84 Br4 N8 Ni4 O20 -","2","0.5","","Dasgupta, Sanchari; Adhikary, Jaydeep; Giri, Sanjib; Bauza, Antonio; Frontera, Antonio; Das, Debasis","Unveiling the effects of the in situ generated arene anion radical and imine radical on catecholase like activity: a DFT supported experimental investigation.","Dalton transactions (Cambridge, England : 2003)","2017","","","","","10.1039/c7dt00733g","","","0.71073","MoKα","","0.055","0.0359","","","0.0725","0.0785","","","","","","1.027","","","","has coordinates","199025","2020-10-21","18:00:00",""
"7043789","10.556","0.003","18.209","0.006","20.193","0.006","90","","90","","90","","3881","2","296","2","296.15","","","","","","","","","7","P b c a","-P 2ac 2ab","61","","","","- C28 H46 Br2 N4 Ni2 O8 S2 -","- C28 H46 Br2 N4 Ni2 O8 S2 -","- C112 H184 Br8 N16 Ni8 O32 S8 -","4","0.5","","Dasgupta, Sanchari; Adhikary, Jaydeep; Giri, Sanjib; Bauza, Antonio; Frontera, Antonio; Das, Debasis","Unveiling the effects of the in situ generated arene anion radical and imine radical on catecholase like activity: a DFT supported experimental investigation.","Dalton transactions (Cambridge, England : 2003)","2017","","","","","10.1039/c7dt00733g","","","0.71073","MoKα","","0.0676","0.0423","","","0.0935","0.1053","","","","","","1.0105","","","","has coordinates","199025","2020-10-21","18:00:00",""
"7043790","8.8221","0.0002","19.4655","0.0004","8.7295","0.0002","90","","90","","90","","1499.09","0.06","250","2","250","2","","","","","","","","7","P b c n","-P 2n 2ab","60","","","","- C12 H13 Cu F6 N2 O2 P -","- C12 H13 Cu F6 N2 O2 P -","- C48 H52 Cu4 F24 N8 O8 P4 -","4","0.5","","Hamaguchi, Tomohiko; Nagata, Tomoko; Hayami, Shinya; Kawata, Satoshi; Ando, Isao","pH-Dependent structural diversity of a 2-pyridinemethanol Cu complex and its relatively strong magnetic exchange coupling via hydrogen bonding.","Dalton transactions (Cambridge, England : 2003)","2017","","","","","10.1039/c7dt00718c","","","0.71075","MoKα","","0.0314","0.0282","","","0.0759","0.0784","","","","","","1.122","","","","has coordinates","199026","2020-10-21","18:00:00",""
"7043791","8.7142","0.0002","19.3795","0.0004","8.7366","0.0002","90","","90","","90","","1475.41","0.06","150","2","150","2","","","","","","","","7","P b c n","-P 2n 2ab","60","","","","- C12 H13 Cu F6 N2 O2 P -","- C12 H13 Cu F6 N2 O2 P -","- C48 H52 Cu4 F24 N8 O8 P4 -","4","0.5","","Hamaguchi, Tomohiko; Nagata, Tomoko; Hayami, Shinya; Kawata, Satoshi; Ando, Isao","pH-Dependent structural diversity of a 2-pyridinemethanol Cu complex and its relatively strong magnetic exchange coupling via hydrogen bonding.","Dalton transactions (Cambridge, England : 2003)","2017","","","","","10.1039/c7dt00718c","","","0.71075","MoKα","","0.0286","0.0265","","","0.0721","0.074","","","","","","1.092","","","","has coordinates","199026","2020-10-21","18:00:00",""
"7043792","8.8886","0.0004","19.5247","0.0008","8.7308","0.0004","90","","90","","90","","1515.21","0.12","300","2","300","2","","","","","","","","7","P b c n","-P 2n 2ab","60","","","","- C12 H13 Cu F6 N2 O2 P -","- C12 H13 Cu F6 N2 O2 P -","- C48 H52 Cu4 F24 N8 O8 P4 -","4","0.5","","Hamaguchi, Tomohiko; Nagata, Tomoko; Hayami, Shinya; Kawata, Satoshi; Ando, Isao","pH-Dependent structural diversity of a 2-pyridinemethanol Cu complex and its relatively strong magnetic exchange coupling via hydrogen bonding.","Dalton transactions (Cambridge, England : 2003)","2017","","","","","10.1039/c7dt00718c","","","0.71075","MoKα","","0.0358","0.0312","","","0.0832","0.0863","","","","","","1.14","","","","has coordinates","199026","2020-10-21","18:00:00",""
"7043793","8.7671","0.0002","19.4257","0.0004","8.733","0.0002","90","","90","","90","","1487.29","0.06","200","2","200","2","","","","","","","","7","P b c n","-P 2n 2ab","60","","","","- C12 H13 Cu F6 N2 O2 P -","- C12 H13 Cu F6 N2 O2 P -","- C48 H52 Cu4 F24 N8 O8 P4 -","4","0.5","","Hamaguchi, Tomohiko; Nagata, Tomoko; Hayami, Shinya; Kawata, Satoshi; Ando, Isao","pH-Dependent structural diversity of a 2-pyridinemethanol Cu complex and its relatively strong magnetic exchange coupling via hydrogen bonding.","Dalton transactions (Cambridge, England : 2003)","2017","","","","","10.1039/c7dt00718c","","","0.71075","MoKα","","0.0305","0.0279","","","0.0747","0.0769","","","","","","1.112","","","","has coordinates","199026","2020-10-21","18:00:00",""
"7043794","8.6711","0.0002","19.337","0.0004","8.7396","0.0002","90","","90","","90","","1465.4","0.06","100","2","100","2","","","","","","","","7","P b c n","-P 2n 2ab","60","","","","- C12 H13 Cu F6 N2 O2 P -","- C12 H13 Cu F6 N2 O2 P -","- C48 H52 Cu4 F24 N8 O8 P4 -","4","0.5","","Hamaguchi, Tomohiko; Nagata, Tomoko; Hayami, Shinya; Kawata, Satoshi; Ando, Isao","pH-Dependent structural diversity of a 2-pyridinemethanol Cu complex and its relatively strong magnetic exchange coupling via hydrogen bonding.","Dalton transactions (Cambridge, England : 2003)","2017","","","","","10.1039/c7dt00718c","","","0.71075","MoKα","","0.026","0.024","","","0.0672","0.0686","","","","","","1.092","","","","has coordinates","199026","2020-10-21","18:00:00",""
"7043795","16.555","0.0007","12.0464","0.0004","27.2008","0.0013","90","","106.496","0.005","90","","5201.3","0.4","293","2","293","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C63 H64 B2 N6 Ni -","- C63 H64 B2 N6 Ni -","- C252 H256 B8 N24 Ni4 -","4","1","","Sankaralingam, Muniyandi; Vadivelu, Prabha; Palaniandavar, Mallayan","Novel nickel(ii) complexes of sterically modified linear N4 ligands: effect of ligand stereoelectronic factors and solvent of coordination on nickel(ii) spin-state and catalytic alkane hydroxylation.","Dalton transactions (Cambridge, England : 2003)","2017","","","","","10.1039/c7dt00576h","","","0.71073","MoKα","","0.1483","0.0698","","","0.192","0.2689","","","","","","0.79","","","","has coordinates","205752","2020-10-21","18:00:00",""
"7043796","11.6625","0.0004","13.6676","0.0004","35.542","0.0011","90","","95.268","0.003","90","","5641.4","0.3","149.9","","149.9","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C69 H68 B2 N6 Ni -","- C69 H68 B2 N6 Ni -","- C276 H272 B8 N24 Ni4 -","4","1","","Sankaralingam, Muniyandi; Vadivelu, Prabha; Palaniandavar, Mallayan","Novel nickel(ii) complexes of sterically modified linear N4 ligands: effect of ligand stereoelectronic factors and solvent of coordination on nickel(ii) spin-state and catalytic alkane hydroxylation.","Dalton transactions (Cambridge, England : 2003)","2017","","","","","10.1039/c7dt00576h","","","0.71073","MoKα","","0.1458","0.0669","","","0.0735","0.0921","","","","","","0.941","","","","has coordinates","199027","2020-10-21","18:00:00",""
"7043797","13.906","0.003","11.69","0.003","21.696","0.003","90","","92.946","0.004","90","","3522.3","1.3","100","2","100","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C39 H58 B2 N4 -","- C39 H58 B2 N4 -","- C156 H232 B8 N16 -","4","1","","Ramos, Alberto; Antiñolo, Antonio; Carrillo-Hermosilla, Fernando; Fernández-Galán, Rafael; Montero-Rama, María del Pilar; Villaseñor, Elena; Rodríguez-Diéguez, Antonio; García-Vivó, Daniel","Insertion reactions of small unsaturated molecules in the N‒B bonds of boron guanidinates","Dalton Trans.","2017","","","","","10.1039/C7DT02081C","","","0.71069","MoKα","","0.0619","0.0521","","","0.1374","0.1478","","","","","","1.024","","","","has coordinates","199029","2020-10-21","18:00:00",""
"7043798","16.181","0.004","16.181","0.003","12.989","0.003","90","","90","","90","","3400.8","1.3","100","2","100","2","","","","","","","","5","P 43","P 4cw","78","","","","- C36 H56 B N3 O -","- C36 H56 B N3 O -","- C144 H224 B4 N12 O4 -","4","1","","Ramos, Alberto; Antiñolo, Antonio; Carrillo-Hermosilla, Fernando; Fernández-Galán, Rafael; Montero-Rama, María del Pilar; Villaseñor, Elena; Rodríguez-Diéguez, Antonio; García-Vivó, Daniel","Insertion reactions of small unsaturated molecules in the N‒B bonds of boron guanidinates","Dalton Trans.","2017","","","","","10.1039/C7DT02081C","","","0.71069","MoKα","","0.0707","0.0463","","","0.0946","0.1043","","","","","","1.078","","","","has coordinates","199029","2020-10-21","18:00:00",""
"7043799","9.858","0.003","10.828","0.003","14.1","0.004","89.37","","71.462","0.005","81.03","","1408.3","0.7","100","2","100","2","","","","","","","","4","P -1","-P 1","2","","","","- C30 H49 B2 N3 -","- C30 H49 B2 N3 -","- C60 H98 B4 N6 -","2","1","","Ramos, Alberto; Antiñolo, Antonio; Carrillo-Hermosilla, Fernando; Fernández-Galán, Rafael; Montero-Rama, María del Pilar; Villaseñor, Elena; Rodríguez-Diéguez, Antonio; García-Vivó, Daniel","Insertion reactions of small unsaturated molecules in the N‒B bonds of boron guanidinates","Dalton Trans.","2017","","","","","10.1039/C7DT02081C","","","0.71069","MoKα","","0.1118","0.0621","","","0.1278","0.1461","","","","","","1.041","","","","has coordinates","199029","2020-10-21","18:00:00",""
"7043800","9.452","0.002","29.608","0.003","10.93","0.003","90","","112.215","0.004","90","","2831.8","1","100","2","100","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C30 H50 B N4 -","- C30 H50 B N4 -","- C120 H200 B4 N16 -","4","1","","Ramos, Alberto; Antiñolo, Antonio; Carrillo-Hermosilla, Fernando; Fernández-Galán, Rafael; Montero-Rama, María del Pilar; Villaseñor, Elena; Rodríguez-Diéguez, Antonio; García-Vivó, Daniel","Insertion reactions of small unsaturated molecules in the N‒B bonds of boron guanidinates","Dalton Trans.","2017","","","","","10.1039/C7DT02081C","","","0.71069","MoKα","","0.1441","0.1079","","","0.2586","0.284","","","","","","1.11","","","","has coordinates","199029","2020-10-21","18:00:00",""
"7043801","11.4481","0.0018","14.078","0.002","16.683","0.002","69.089","0.003","85.835","0.003","75.449","0.004","2430.7","0.6","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","","","- C55 H92 B2 N4 O -","- C49 H78 B2 N4 O -","- C98 H156 B4 N8 O2 -","2","1","","Ramos, Alberto; Antiñolo, Antonio; Carrillo-Hermosilla, Fernando; Fernández-Galán, Rafael; Montero-Rama, María del Pilar; Villaseñor, Elena; Rodríguez-Diéguez, Antonio; García-Vivó, Daniel","Insertion reactions of small unsaturated molecules in the N‒B bonds of boron guanidinates","Dalton Trans.","2017","","","","","10.1039/C7DT02081C","","x-ray","0.71069","MoKα","","0.1068","0.0586","","","0.142","0.1629","","","","","","1.073","","","","has coordinates","199029","2020-10-21","18:00:00",""
"7043802","10.673","0.0007","11.9049","0.0009","16.1199","0.0011","68.82","0.002","85.544","0.002","64.423","0.002","1715.2","0.2","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","","","- C37 H57 B N4 O -","- C37 H57 B N4 O -","- C74 H114 B2 N8 O2 -","2","1","","Ramos, Alberto; Antiñolo, Antonio; Carrillo-Hermosilla, Fernando; Fernández-Galán, Rafael; Montero-Rama, María del Pilar; Villaseñor, Elena; Rodríguez-Diéguez, Antonio; García-Vivó, Daniel","Insertion reactions of small unsaturated molecules in the N‒B bonds of boron guanidinates","Dalton Trans.","2017","","","","","10.1039/C7DT02081C","","","0.71073","MoKα","","0.0924","0.0521","","","0.108","0.1243","","","","","","1.042","","","","has coordinates","199029","2020-10-21","18:00:00",""
"7043803","9.1001","0.0002","10.7058","0.0003","15.0268","0.0003","76.368","0.002","80.526","0.002","78.26","0.002","1382.46","0.06","100","","100","","","","","","","","","8","P -1","-P 1","2","","","","- C18 H37 F3 N6 O7.25 P2 Ru S -","- C18 H37 F3 N6 O7.25 P2 Ru S -","- C36 H74 F6 N12 O14.5 P4 Ru2 S2 -","2","1","","Scalambra, Franco; Serrano-Ruiz, Manuel; Romerosa, Antonio","Water and catalytic isomerization of linear allylic alcohols by [RuCp(H2O-κO)(PTA)2](+) (PTA = 1,3,5-triaza-7-phosphaadamantane).","Dalton transactions (Cambridge, England : 2003)","2017","","","","","10.1039/c6dt04262g","","x-ray","0.71073","MoKα","","0.0257","0.0224","","","0.053","0.0548","","","","","","1.054","","","","has coordinates,has disorder","199030","2020-10-21","18:00:00",""
"7043804","13.1484","0.0003","18.4303","0.0004","14.8673","0.0003","90","","93.763","0.002","90","","3595.01","0.13","293","2","293","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C60 H96 O24 Ti6 -","- C60 H94 O24 Ti6 -","- C120 H188 O48 Ti12 -","2","0.5","","Gao, Mei-Yan; Chen, Shumei; Hu, Lan-Xia; Zhang, Lei; Zhang, Jian","Synthesis and photocatalytic H2 evolution properties of four titanium-oxo-clusters based on a cyclohex-3-ene-1-carboxylate ligand.","Dalton transactions (Cambridge, England : 2003)","2017","","","","","10.1039/c7dt00627f","","","1.54184","CuKα","","0.0614","0.0503","","","0.1373","0.1483","","","","","","1.047","","","","has coordinates","199031","2020-10-21","18:00:00",""
"7043805","11.5608","0.0005","12.8939","0.0007","12.9786","0.0007","106.678","0.004","104.405","0.004","102.066","0.004","1711.04","0.17","293","2","293","2","","","","","","","","4","P -1","-P 1","2","","","","- C60 H96 O24 Ti6 -","- C60 H96 O24 Ti6 -","- C60 H96 O24 Ti6 -","1","0.5","","Gao, Mei-Yan; Chen, Shumei; Hu, Lan-Xia; Zhang, Lei; Zhang, Jian","Synthesis and photocatalytic H2 evolution properties of four titanium-oxo-clusters based on a cyclohex-3-ene-1-carboxylate ligand.","Dalton transactions (Cambridge, England : 2003)","2017","","","","","10.1039/c7dt00627f","","","0.71073","MoKα","","0.0608","0.0497","","","0.1312","0.1394","","","","","","1.116","","","","has coordinates","199031","2020-10-21","18:00:00",""
"7043806","20.353","0.004","30.113","0.008","32.434","0.007","90","","108.109","0.006","90","","18894","7","293","2","293","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C152 H210 O69 Ti18 -","- C150.556 H124 O69 Ti18 -","- C602.224 H496 O276 Ti72 -","4","1","","Gao, Mei-Yan; Chen, Shumei; Hu, Lan-Xia; Zhang, Lei; Zhang, Jian","Synthesis and photocatalytic H2 evolution properties of four titanium-oxo-clusters based on a cyclohex-3-ene-1-carboxylate ligand.","Dalton transactions (Cambridge, England : 2003)","2017","","","","","10.1039/c7dt00627f","","","0.71073","MoKα","","0.1227","0.0987","","","0.2592","0.2773","","","","","","1.134","","","","has coordinates,has disorder","199031","2020-10-21","18:00:00",""
"7043807","11.3849","0.0006","13.5963","0.0005","15.4306","0.0007","96.961","0.003","108.693","0.004","109.373","0.004","2064.1","0.19","293","2","293","2","","","","","","","","4","P -1","-P 1","2","","","","- C32 H60 O12 Ti3 -","- C32 H52.48 O12 Ti3 -","- C64 H104.96 O24 Ti6 -","2","1","","Gao, Mei-Yan; Chen, Shumei; Hu, Lan-Xia; Zhang, Lei; Zhang, Jian","Synthesis and photocatalytic H2 evolution properties of four titanium-oxo-clusters based on a cyclohex-3-ene-1-carboxylate ligand.","Dalton transactions (Cambridge, England : 2003)","2017","","","","","10.1039/c7dt00627f","","","1.54178","CuKα","","0.0755","0.0595","","","0.1728","0.2052","","","","","","1.047","","","","has coordinates,has disorder","199031","2020-10-21","18:00:00",""
"7043808","16.933","0.0003","12.54583","0.00016","22.63","0.0003","90","","90","","90","","4807.48","0.12","293","","293","","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C24 H28 N4 O6 -","- C24 H28 N4 O6 -","- C192 H224 N32 O48 -","8","1","","Lavaud, Lucien; Chen, Zhongrui; Elhabiri, Mourad; Jacquemin, Denis; Canard, Gabriel; Siri, Olivier","Di- vs. tetra-substituted quinonediimines: a drastic effect on coordination chemistry","Dalton Trans.","2017","","","","","10.1039/C7DT01884C","","x-ray","1.54184","CuKα","","0.045","0.0376","","","0.1032","0.1087","","","","","","1.048","","","","has coordinates","199032","2020-10-21","18:00:00",""
"7043809","12.9636","0.0003","20.2935","0.0004","14.3419","0.0003","90","","96.532","0.002","90","","3748.53","0.14","150","2","150","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","(IPr)SbBr3*2THF","","- C35 H52 Br3 N2 O2 Sb -","- C35 H52 Br3 N2 O2 Sb -","- C140 H208 Br12 N8 O8 Sb4 -","4","1","","Waters, Jordan; Chen, Qien; Everitt, Thomas; Goicoechea, Jose M.","N-heterocyclic carbene adducts of the heavier group 15 tribromides. Normal to abnormal isomerism and bromide ion abstraction.","Dalton Trans.","2017","","","","","10.1039/C7DT02431B","","","1.54184","CuKα","","0.0507","0.0466","","","0.1207","0.1262","","","","","","1.043","","","","has coordinates,has disorder","199332","2020-10-21","18:00:00",""
"7043810","11.105","0.002","11.908","0.002","15.263","0.003","98.77","0.03","102.17","0.03","96.09","0.03","1929.9","0.7","150","2","150","2","","","","","","","","6","P -1","-P 1","2","","(aIPr)BiBr3*2THF","","- C35 H52 Bi Br3 N2 O2 -","- C35 H52 Bi Br3 N2 O2 -","- C70 H104 Bi2 Br6 N4 O4 -","2","1","","Waters, Jordan; Chen, Qien; Everitt, Thomas; Goicoechea, Jose M.","N-heterocyclic carbene adducts of the heavier group 15 tribromides. Normal to abnormal isomerism and bromide ion abstraction.","Dalton Trans.","2017","","","","","10.1039/C7DT02431B","","","0.71073","MoKα","","0.0552","0.0463","","","0.1209","0.1263","","","","","","1.048","","","","has coordinates,has disorder","199332","2020-10-21","18:00:00",""
"7043811","13.2348","0.0002","16.973","0.0004","18.9206","0.0004","72.072","0.002","83.509","0.002","87.014","0.002","4017.25","0.15","150","2","150","2","","","","","","","","8","P -1","-P 1","2","","[Sb(aIPr)Br2][BArF]*4THF","","- C75 H80 B Br2 F24 N2 O4 Sb -","- C75 H80 B Br2 F24 N2 O4 Sb -","- C150 H160 B2 Br4 F48 N4 O8 Sb2 -","2","1","","Waters, Jordan; Chen, Qien; Everitt, Thomas; Goicoechea, Jose M.","N-heterocyclic carbene adducts of the heavier group 15 tribromides. Normal to abnormal isomerism and bromide ion abstraction.","Dalton Trans.","2017","","","","","10.1039/C7DT02431B","","","1.54184","CuKα","","0.0622","0.0584","","","0.157","0.1615","","","","","","1.047","","","","has coordinates,has disorder","199332","2020-10-21","18:00:00",""
"7043812","11.0863","0.0003","11.8231","0.0002","15.2363","0.0003","98.938","0.002","101.958","0.002","95.68","0.002","1912.17","0.08","150","2","150","2","","","","","","","","6","P -1","-P 1","2","","(aIPr)SbBr3*2THF","","- C35 H52 Br3 N2 O2 Sb -","- C35 H52 Br3 N2 O2 Sb -","- C70 H104 Br6 N4 O4 Sb2 -","2","1","","Waters, Jordan; Chen, Qien; Everitt, Thomas; Goicoechea, Jose M.","N-heterocyclic carbene adducts of the heavier group 15 tribromides. Normal to abnormal isomerism and bromide ion abstraction.","Dalton Trans.","2017","","","","","10.1039/C7DT02431B","","","1.54184","CuKα","","0.046","0.043","","","0.1105","0.1144","","","","","","1.041","","","","has coordinates,has disorder","199332","2020-10-21","18:00:00",""
"7043813","12.2078","0.0003","17.4963","0.0003","18.3277","0.0004","76.528","0.002","79.988","0.002","81.945","0.002","3728.61","0.14","150","2","150","2","","","","","","","","7","P -1","-P 1","2","","[SbBr2(IPr)][AlBr4]*0.5CH2Cl2","","- C27.5 H37 Al Br6 Cl N2 Sb -","- C27.5 H37 Al Br6 Cl N2 Sb -","- C110 H148 Al4 Br24 Cl4 N8 Sb4 -","4","2","","Waters, Jordan; Chen, Qien; Everitt, Thomas; Goicoechea, Jose M.","N-heterocyclic carbene adducts of the heavier group 15 tribromides. Normal to abnormal isomerism and bromide ion abstraction.","Dalton Trans.","2017","","","","","10.1039/C7DT02431B","","","1.54184","CuKα","","0.0431","0.0404","","","0.1054","0.11","","","","","","1.058","","","","has coordinates","199332","2020-10-21","18:00:00",""
"7043814","35.3941","0.0003","17.9516","0.0001","20.0953","0.0002","90","","95.253","0.001","90","","12714.5","0.18","150","2","150","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","(IPr)BiBr3*0.5THF","","- C29 H40 Bi Br3 N2 O0.5 -","- C29 H40 Bi Br3 N2 O0.5 -","- C464 H640 Bi16 Br48 N32 O8 -","16","4","","Waters, Jordan; Chen, Qien; Everitt, Thomas; Goicoechea, Jose M.","N-heterocyclic carbene adducts of the heavier group 15 tribromides. Normal to abnormal isomerism and bromide ion abstraction.","Dalton Trans.","2017","","","","","10.1039/C7DT02431B","","","1.54184","CuKα","","0.0507","0.0486","","","0.1254","0.1273","","","","","","1.106","","","","has coordinates,has disorder","199332","2020-10-21","18:00:00",""
"7043815","14.8865","0.0002","18.992","0.0002","20.8333","0.0002","90","","98.61","0.001","90","","5823.7","0.12","150","2","150","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","[(aIPr)2SbBr2]Br*0.5THF","","- C56 H76 Br3 N4 O0.5 Sb -","- C56 H76 Br3 N4 O0.5 Sb -","- C224 H304 Br12 N16 O2 Sb4 -","4","1","","Waters, Jordan; Chen, Qien; Everitt, Thomas; Goicoechea, Jose M.","N-heterocyclic carbene adducts of the heavier group 15 tribromides. Normal to abnormal isomerism and bromide ion abstraction.","Dalton Trans.","2017","","","","","10.1039/C7DT02431B","","","1.54184","CuKα","","0.0408","0.0391","","","0.1028","0.1049","","","","","","1.053","","","","has coordinates,has disorder","199332","2020-10-21","18:00:00",""
"7043816","12.2474","0.0003","17.4318","0.0006","18.3406","0.0006","77.136","0.003","79.952","0.002","82.507","0.002","3741.6","0.2","150","2","150","2","","","","","","","","7","P -1","-P 1","2","","[BiBr2(IPr)][AlBr4]*0.5CH2Cl2","","- C27.5 H37 Al Bi Br6 Cl N2 -","- C27.5 H37 Al Bi Br6 Cl N2 -","- C110 H148 Al4 Bi4 Br24 Cl4 N8 -","4","2","","Waters, Jordan; Chen, Qien; Everitt, Thomas; Goicoechea, Jose M.","N-heterocyclic carbene adducts of the heavier group 15 tribromides. Normal to abnormal isomerism and bromide ion abstraction.","Dalton Trans.","2017","","","","","10.1039/C7DT02431B","","","1.54184","CuKα","","0.0409","0.0399","","","0.1038","0.1048","","","","","","1.058","","","","has coordinates","199332","2020-10-21","18:00:00",""
"7043817","10.5273","0.0001","18.6503","0.0001","30.8129","0.0002","90","","90","","90","","6049.72","0.08","150","2","150","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","[(aIPr)SbBr2][AlBr4]","","- C54 H72 Al Br6 N4 Sb -","- C54 H72 Al Br6 N4 Sb -","- C216 H288 Al4 Br24 N16 Sb4 -","4","1","","Waters, Jordan; Chen, Qien; Everitt, Thomas; Goicoechea, Jose M.","N-heterocyclic carbene adducts of the heavier group 15 tribromides. Normal to abnormal isomerism and bromide ion abstraction.","Dalton Trans.","2017","","","","","10.1039/C7DT02431B","","","1.54184","CuKα","","0.025","0.0243","","","0.0589","0.0595","","","","","","1.025","","","","has coordinates","199332","2020-10-21","18:00:00",""
"7043818","12.7012","0.0003","18.94","0.0004","19.7427","0.0004","113.243","0.002","93.206","0.002","106.828","0.002","4098.06","0.18","150","2","150","2","","","","","","","","8","P -1","-P 1","2","","[Bi(aIPr)Br2][BArF]*4.5THF","","- C77 H84 B Bi Br2 F24 N2 O4.5 -","- C77 H84 B Bi Br2 F24 N2 O4.5 -","- C154 H168 B2 Bi2 Br4 F48 N4 O9 -","2","1","","Waters, Jordan; Chen, Qien; Everitt, Thomas; Goicoechea, Jose M.","N-heterocyclic carbene adducts of the heavier group 15 tribromides. Normal to abnormal isomerism and bromide ion abstraction.","Dalton Trans.","2017","","","","","10.1039/C7DT02431B","","","1.54184","CuKα","","0.0633","0.0567","","","0.1407","0.1479","","","","","","1.034","","","","has coordinates,has disorder","199332","2020-10-21","18:00:00",""
"7043819","12.1007","0.0002","35.0892","0.0005","14.9693","0.0002","90","","98.858","0.001","90","","6280.21","0.16","150","2","150","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","(aIPr)BiBr3*0.5CH2Cl2","","- C27.5 H37 Bi Br3 Cl N2 -","- C27.5 H37 Bi Br3 Cl N2 -","- C220 H296 Bi8 Br24 Cl8 N16 -","8","2","","Waters, Jordan; Chen, Qien; Everitt, Thomas; Goicoechea, Jose M.","N-heterocyclic carbene adducts of the heavier group 15 tribromides. Normal to abnormal isomerism and bromide ion abstraction.","Dalton Trans.","2017","","","","","10.1039/C7DT02431B","","","1.54184","CuKα","","0.0536","0.0534","","","0.1385","0.1387","","","","","","1.172","","","","has coordinates","199332","2020-10-21","18:00:00",""
"7043820","22.24","0.004","23.915","0.005","24.189","0.005","90","","90","","90","","12865","4","298","2","298","2","","","","","","","","6","P b c a","-P 2ac 2ab","61","","CubpyIL","","- C22 H37 Cu N4 O12 P3 -","- C22 H37 Cu N4 O12 P3 -","- C352 H592 Cu16 N64 O192 P48 -","16","2","","Chen, Wenqian; Ogiwara, Naoki; Kadota, Kentaro; Panyarat, Kitt; Kitagawa, Susumu; Horike, Satoshi","Imidazolium cation transportation in a 1-D coordination polymer","Dalton Trans.","2017","","","","","10.1039/C7DT02625K","","","0.71073","MoKα","","0.1441","0.0959","","","0.2488","0.2843","","","","","","1.127","","","","has coordinates,has disorder","199333","2020-10-21","18:00:00",""
"7043821","22.221","0.004","23.702","0.005","23.882","0.005","90","","90","","90","","12578","4","223","2","223","2","","","","","","","","6","P b c a","-P 2ac 2ab","61","","CubpyIL","","- C22 H37 Cu N4 O12 P3 -","- C22 H37 Cu N4 O12 P3 -","- C352 H592 Cu16 N64 O192 P48 -","16","2","","Chen, Wenqian; Ogiwara, Naoki; Kadota, Kentaro; Panyarat, Kitt; Kitagawa, Susumu; Horike, Satoshi","Imidazolium cation transportation in a 1-D coordination polymer","Dalton Trans.","2017","","","","","10.1039/C7DT02625K","","","0.71073","MoKα","","0.193","0.0853","","","0.1696","0.2097","","","","","","1.007","","","","has coordinates,has disorder","199333","2020-10-21","18:00:00",""
"7043822","11.5798","0.0018","12.053","0.002","22.06","0.005","90","","90","","90","","3078.9","1","110","","110","","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C29.5 H40 Co2 N2 O11.5 -","- C29.5 H40 Co2 N2 O11.5 -","- C118 H160 Co8 N8 O46 -","4","1","","Novitchi, Ghénadie; Vela, Sergi; Pilet, Guillaume; Train, Cyrille; Robert, Vincent","Twisting Induces Ferromagnetism in Homometallic Clusters","Dalton Trans.","2017","","","","","10.1039/C7DT02360J","","","0.71069","MoKα","","0.1792","0.0681","","0.2201","0.0763","0.0763","","","","","","1.1179","","","","has coordinates","199334","2020-10-21","18:00:00",""
"7043823","7.142","0.0009","10.8966","0.0015","18.928","0.003","90","","90","","90","","1473","0.4","293","","293","","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C14 H19 Cu N O6 -","- C14 H19 Cu N O6 -","- C56 H76 Cu4 N4 O24 -","4","1","","Novitchi, Ghénadie; Vela, Sergi; Pilet, Guillaume; Train, Cyrille; Robert, Vincent","Twisting Induces Ferromagnetism in Homometallic Clusters","Dalton Trans.","2017","","","","","10.1039/C7DT02360J","","","0.71069","MoKα","","0.0583","0.0423","","0.0518","0.042","0.0396","","","","","","1.1057","","","","has coordinates","199334","2020-10-21","18:00:00",""
"7043824","5.6286","0.0006","10.2605","0.0016","12.8165","0.0018","73.668","0.013","87.745","0.01","88.353","0.011","709.64","0.17","293","","293","","","","","","","","","5","P 1","P 1","1","","","","- C28 H35 Cl N2 O8 -","- C28 H35 Cl N2 O8 -","- C28 H35 Cl N2 O8 -","1","1","","Novitchi, Ghénadie; Vela, Sergi; Pilet, Guillaume; Train, Cyrille; Robert, Vincent","Twisting Induces Ferromagnetism in Homometallic Clusters","Dalton Trans.","2017","","","","","10.1039/C7DT02360J","","","0.71069","MoKα","","0.0739","0.0519","","0.074","0.0549","0.0519","","","","","","1.0854","","","","has coordinates","199334","2020-10-21","18:00:00",""
"7043825","13.9452","0.0006","15.3362","0.0005","21.8663","0.0008","90","","89.343","0.003","90","","4676.2","0.3","110","","110","","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C88.5 H118.5 Cu4 N8 O25 -","- C88.5 H118.5 Cu4 N8 O25 -","- C177 H237 Cu8 N16 O50 -","2","1","","Novitchi, Ghénadie; Vela, Sergi; Pilet, Guillaume; Train, Cyrille; Robert, Vincent","Twisting Induces Ferromagnetism in Homometallic Clusters","Dalton Trans.","2017","","","","","10.1039/C7DT02360J","","","0.71069","MoKα","","0.0592","0.0504","","0.0681","0.0565","0.0542","","","","","","1.0347","","","","has coordinates","199334","2020-10-21","18:00:00",""
"7043826","5.8851","0.0004","8.215","0.0006","10.0094","0.0008","69.796","0.003","73.995","0.003","79.063","0.003","434.13","0.06","294","2","294","2","","","","","","","","5","P -1","-P 1","2","","","","- C14 H10 Cd N6 S2 -","- C14 H10 Cd N6 S2 -","- C14 H10 Cd N6 S2 -","1","0.5","","Halder, Shibashis; Dey, Arka; Bhattacharjee, Aradhita; Ortega-Castro, Joaquin; Frontera, Antonio; Ray, Partha Pratim; Roy, Partha","Cd(II)-based MOF as a photosensitive Schottky diode: experimental and theoretical studies","Dalton Trans.","2017","","","","","10.1039/C7DT02184D","","","0.71073","MoKα","","0.0517","0.0495","","","0.1204","0.1222","","","","","","1.17","","","","has coordinates","199335","2020-10-21","18:00:00",""
"7043827","28.0964","0.0016","28.0964","0.0016","24.9467","0.0014","90","","90","","120","","17054.7","1.7","130","2","130","","","","","","","","","5","R -3","-R 3","148","","","","- C30 H48 Cl2 Co N4 -","- C30 H48 Cl2 Co N4 -","- C540 H864 Cl36 Co18 N72 -","18","","","Iannuzzi, Theresa E.; Gao, Yafei; Baker, Tessa M.; Deng, Liang; Neidig, Michael L.","Magnetic circular dichroism and density functional theory studies of electronic structure and bonding in cobalt(II)-N-heterocyclic carbene complexes","Dalton Trans.","2017","","","","","10.1039/C7DT01748K","","","0.71073","MoKα","","0.0574","0.0397","","","0.1056","0.1142","","","","","","1.06","","","","has coordinates,has disorder","199336","2020-10-21","18:00:00",""
"7043828","10.888","0.0006","13.065","0.0012","15.922","0.0012","71.613","0.007","73.658","0.006","79.514","0.006","2051.6","0.3","293","2","293","2","","","","","","","","6","P 1","P 1","1","","","","- C34 H42 Li2 Mn2 N6 O19 -","- C34 H40 Li2 Mn2 N6 O19 -","- C68 H80 Li4 Mn4 N12 O38 -","2","2","","Khannam, Mahmuda; Weyhermüller, Thomas; Goswami, Upashi; Mukherjee, Chandan","A highly stable l-alanine-based mono(aquated) Mn(ii) complex as a T1-weighted MRI contrast agent","Dalton Trans.","2017","","","","","10.1039/C7DT02282D","","","0.71073","MoKα","","0.0487","0.0381","","","0.0815","0.09","","","","","","1.027","","","","has coordinates","199359","2020-10-21","18:00:00",""
"7043829","4.0259","0.001","5.5982","0.0013","13.863","0.003","90","","90","","90","","312.44","0.13","100","2","100","2","","","","","","","","3","I m m m","-I 2 2","71","thorium copper(I) diphosphide","","","- Cu P2 Th -","- Cu P2 Th -","- Cu4 P8 Th4 -","4","0.25","","JIN, GENG BANG; Malliakas, Christos D.; Lin, Jian","Thorium Copper Phosphides: More Diverse Metal‒Phosphorus and Phosphorus‒Phosphorus Interactions than U analogues","Dalton Trans.","2017","","","","","10.1039/C7DT02145C","","","0.71073","MoKα","","0.0164","0.0164","","","0.0458","0.0458","","","","","","1.368","","","","has coordinates","199360","2020-10-21","18:00:00",""
"7043830","8.9882","0.0005","3.8726","0.0002","9.8376","0.0006","90","","90","","90","","342.42","0.03","100","2","100","2","","","","","","","","3","P n m a","-P 2ac 2n","62","thorium dicopper(I) diphosphide","","","- Cu2 P2 Th -","- Cu2 P2 Th -","- Cu8 P8 Th4 -","4","0.5","","JIN, GENG BANG; Malliakas, Christos D.; Lin, Jian","Thorium Copper Phosphides: More Diverse Metal‒Phosphorus and Phosphorus‒Phosphorus Interactions than U analogues","Dalton Trans.","2017","","","","","10.1039/C7DT02145C","","","0.71073","MoKα","","0.0147","0.0144","","","0.035","0.0351","","","","","","1.271","","","","has coordinates","199360","2020-10-21","18:00:00",""
"7043831","12.7255","0.0004","3.8766","0.0001","10.8422","0.0004","90","","90","","90","","534.86","0.03","100","2","100","2","","","","","","","","3","P n m a","-P 2ac 2n","62","thorium pentacopper(I) triphosphide","","","- Cu5 P3 Th -","- Cu5 P3 Th -","- Cu20 P12 Th4 -","4","0.5","","JIN, GENG BANG; Malliakas, Christos D.; Lin, Jian","Thorium Copper Phosphides: More Diverse Metal‒Phosphorus and Phosphorus‒Phosphorus Interactions than U analogues","Dalton Trans.","2017","","","","","10.1039/C7DT02145C","","","0.71073","MoKα","","0.0116","0.0113","","","0.029","0.0292","","","","","","1.23","","","","has coordinates","199360","2020-10-21","18:00:00",""
"7043832","10.1263","0.001","10.1718","0.0009","11.2367","0.001","81.148","0.006","66.376","0.006","74.572","0.006","1020.74","0.17","173","2","173","2","","","","","","","","6","P 1","P 1","1","(DIPP-NBN)Ca.(THF)4","","","- C40 H67 B Ca N2 O4 -","- C40 H67 B Ca N2 O4 -","- C40 H67 B Ca N2 O4 -","1","1","","Freitag, Benjamin; Fischer, Christian A.; Penafiel, Johanne; Ballmann, Gerd; Elsen, Holger; Färber, Christian; Piesik, Dirk F.; Harder, Sjoerd","Bora-amidinate as a cooperative ligand in group 2 metal catalysis","Dalton Trans.","2017","","","","","10.1039/C7DT02136D","","","0.71073","MoKα","","0.0984","0.0765","","","0.1811","0.1959","","","","","","1.116","","","","has coordinates","199361","2020-10-21","18:00:00",""
"7043833","10.5266","0.0002","17.9167","0.0003","18.7856","0.0004","90","","90","","90","","3543","0.12","100","","100","","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C36 H59 B Mg N2 O3 -","- C36 H59 B Mg N2 O3 -","- C144 H236 B4 Mg4 N8 O12 -","4","1","","Freitag, Benjamin; Fischer, Christian A.; Penafiel, Johanne; Ballmann, Gerd; Elsen, Holger; Färber, Christian; Piesik, Dirk F.; Harder, Sjoerd","Bora-amidinate as a cooperative ligand in group 2 metal catalysis","Dalton Trans.","2017","","","","","10.1039/C7DT02136D","","x-ray","1.54184","CuKα","","0.049","0.0466","","","0.1218","0.1245","","","","","","1.021","","","","has coordinates","199361","2020-10-21","18:00:00",""
"7043834","13.1157","0.0005","19.4737","0.0007","23.2334","0.0003","90","","99.043","0.002","90","","5860.3","0.3","100","2","100","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C66 H56 N6 O13 Yb2 -","- C66 H56 N6 O13 Yb2 -","- C264 H224 N24 O52 Yb8 -","4","1","","Pushkarev, Anatoly P.; Balashova, Tatyana V.; Kukinov, Andrey A.; Arsenyev, Maxim V.; Yablonskiy, Artem N.; Kryzhkov, Denis I.; Andreev, Boris A.; Rumyantcev, Roman V.; Fukin, Georgy K.; Bochkarev, Mikhail N.","Sensitization of NIR luminescence of Yb3+ by Zn2+ chromophores in heterometallic complexes with a bridging Schiff-base ligand","Dalton Trans.","2017","","","","","10.1039/C7DT01340J","","","0.71073","MoKα","","0.0366","0.0246","","","0.0473","0.0498","","","","","","1.024","","","","has coordinates,has disorder","199362","2020-10-21","18:00:00",""
"7043835","15.4896","0.0002","21.0187","0.0002","22.5205","0.0002","90","","109.799","0.001","90","","6898.61","0.13","100","2","100","2","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C60 H48 F24 N6 O14 Yb2 Zn2 -","- C60 H48 F24 N6 O14 Yb2 Zn2 -","- C240 H192 F96 N24 O56 Yb8 Zn8 -","4","1","","Pushkarev, Anatoly P.; Balashova, Tatyana V.; Kukinov, Andrey A.; Arsenyev, Maxim V.; Yablonskiy, Artem N.; Kryzhkov, Denis I.; Andreev, Boris A.; Rumyantcev, Roman V.; Fukin, Georgy K.; Bochkarev, Mikhail N.","Sensitization of NIR luminescence of Yb3+ by Zn2+ chromophores in heterometallic complexes with a bridging Schiff-base ligand","Dalton Trans.","2017","","","","","10.1039/C7DT01340J","","","0.71073","MoKα","","0.0298","0.0227","","","0.0507","0.0529","","","","","","1.053","","","","has coordinates,has disorder","199362","2020-10-21","18:00:00",""
"7043836","18.1681","0.0005","13.5223","0.0004","22.7668","0.0007","90","","96.937","0.001","90","","5552.3","0.3","100","2","100","2","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C106 H82 F36 N8 O24 Yb2 Zn4 -","- C106 H82 F36 N8 O24 Yb2 Zn4 -","- C212 H164 F72 N16 O48 Yb4 Zn8 -","2","0.5","","Pushkarev, Anatoly P.; Balashova, Tatyana V.; Kukinov, Andrey A.; Arsenyev, Maxim V.; Yablonskiy, Artem N.; Kryzhkov, Denis I.; Andreev, Boris A.; Rumyantcev, Roman V.; Fukin, Georgy K.; Bochkarev, Mikhail N.","Sensitization of NIR luminescence of Yb3+ by Zn2+ chromophores in heterometallic complexes with a bridging Schiff-base ligand","Dalton Trans.","2017","","","","","10.1039/C7DT01340J","","","0.71073","MoKα","","0.0406","0.0348","","","0.0829","0.0882","","","","","","1.033","","","","has coordinates,has disorder","199362","2020-10-21","18:00:00",""
"7043837","10.929","0.002","15.041","0.003","21.431","0.004","90","","94","0.03","90","","3514.3","1.2","100","2","100","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C30.75 H32.5 Cl1.5 I2 N3 O8 Pd -","- C30.75 H32.5 Cl1.5 I2 N3 O8 Pd -","- C123 H130 Cl6 I8 N12 O32 Pd4 -","4","1","","Visentin, Fabiano; Santo, Claudio; Scattolin, Thomas; Demitri, Nicola; Canovese, Luciano","Reactivity of N-heterocyclic carbene‒pyridine palladacyclopentadiene complexes toward halogen addition. The unpredictable course of the reaction","Dalton Trans.","2017","","","","","10.1039/C7DT02162C","","","0.7","Synchrotron","","0.0715","0.0623","","","0.1666","0.1755","","","","","","1.045","","","","has coordinates,has disorder","199363","2020-10-21","18:00:00",""
"7043838","19.777","0.004","15.975","0.003","20.563","0.004","90","","90","","90","","6497","2","100","2","100","2","","","","","","","","6","P b c a","-P 2ac 2ab","61","","","","- C30 H31 I2 N3 O8 Pd -","- C30 H31 I2 N3 O8 Pd -","- C240 H248 I16 N24 O64 Pd8 -","8","1","","Visentin, Fabiano; Santo, Claudio; Scattolin, Thomas; Demitri, Nicola; Canovese, Luciano","Reactivity of N-heterocyclic carbene‒pyridine palladacyclopentadiene complexes toward halogen addition. The unpredictable course of the reaction","Dalton Trans.","2017","","","","","10.1039/C7DT02162C","","","0.7","Synchrotron","","0.0525","0.0426","","","0.108","0.1157","","","","","","1.047","","","","has coordinates,has disorder","199363","2020-10-21","18:00:00",""
"7043839","12.6823","0.0004","19.4498","0.0005","20.2522","0.0006","90","","124.157","0.002","90","","4133.8","0.2","120","2","120","2","","","","","","","synthesis as described","7","P 1 21/c 1","-P 2ybc","14","","","","- C83 H116 N2 Na2 O6 S2 Si2 -","- C83 H116 N2 Na2 O6 S2 Si2 -","- C166 H232 N4 Na4 O12 S4 Si4 -","2","0.5","","Ciborska, Anna; Hnatejko, Zbigniew; Kazimierczuk, Katarzyna; Mielcarek, Agnieszka; Wiśniewska, Aleksandra; Dołęga, Anna","Silver complexes stabilized by large silanethiolate ligands ‒ crystal structures and luminescence properties","Dalton Trans.","2017","","","","","10.1039/C7DT00740J","","","0.71073","MoKα","","0.0804","0.0649","","","0.1695","0.1868","","","","","","1.043","","","","has coordinates,has disorder","199377","2020-10-21","18:00:00",""
"7043840","17.3627","0.0004","19.6399","0.0003","22.8264","0.0006","90","","104.436","0.002","90","","7538.1","0.3","120","2","120","2","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C74 H108 Ag3 N O10 S2 Si2 -","- C74 H108 Ag3 N O10 S2 Si2 -","- C296 H432 Ag12 N4 O40 S8 Si8 -","4","1","","Ciborska, Anna; Hnatejko, Zbigniew; Kazimierczuk, Katarzyna; Mielcarek, Agnieszka; Wiśniewska, Aleksandra; Dołęga, Anna","Silver complexes stabilized by large silanethiolate ligands ‒ crystal structures and luminescence properties","Dalton Trans.","2017","","","","","10.1039/C7DT00740J","","","0.71073","MoKα","","0.124","0.0987","","","0.2672","0.2993","","","","","","1.122","","","","has coordinates,has disorder","199377","2020-10-21","18:00:00",""
"7043841","20.792","0.002","11.4774","0.0019","33.058","0.004","90","","104.499","0.009","90","","7637.7","1.8","120","2","120","2","","","","","","","","7","I 1 2/a 1","-I 2ya","15","","","","- C76 H118 Ag Na O10 S2 Si2 -","- C76 H118 Ag Na O10 S2 Si2 -","- C304 H472 Ag4 Na4 O40 S8 Si8 -","4","0.5","","Ciborska, Anna; Hnatejko, Zbigniew; Kazimierczuk, Katarzyna; Mielcarek, Agnieszka; Wiśniewska, Aleksandra; Dołęga, Anna","Silver complexes stabilized by large silanethiolate ligands ‒ crystal structures and luminescence properties","Dalton Trans.","2017","","","","","10.1039/C7DT00740J","","","0.71073","MoKα","","0.0616","0.0396","","","0.0911","0.1024","","","","","","1.011","","","","has coordinates","199377","2020-10-21","18:00:00",""
"7043842","17.8298","0.0004","19.7016","0.0005","19.9173","0.0005","118.104","0.003","106.97","0.002","97.025","0.002","5616","0.3","120","2","120","2","","","","","","","","6","P -1","-P 1","2","","","","- C108 H153 Ag3 O9 S3 Si3 -","- C108 H153 Ag3 O9 S3 Si3 -","- C216 H306 Ag6 O18 S6 Si6 -","2","1","","Ciborska, Anna; Hnatejko, Zbigniew; Kazimierczuk, Katarzyna; Mielcarek, Agnieszka; Wiśniewska, Aleksandra; Dołęga, Anna","Silver complexes stabilized by large silanethiolate ligands ‒ crystal structures and luminescence properties","Dalton Trans.","2017","","","","","10.1039/C7DT00740J","","","0.71073","MoKα","","0.0539","0.0432","","","0.1056","0.1146","","","","","","1.055","","","","has coordinates","199377","2020-10-21","18:00:00",""
"7043843","15.74","0.004","18.567","0.005","23.991","0.008","108.21","0.02","101.15","0.02","98.54","0.02","6368","3","120","2","120","2","","","","","","","","7","P -1","-P 1","2","","","","- C222 H348 Ag6 N4 O23 S8 Si8 -","- C222 H348 Ag6 N4 O23 S8 Si8 -","- C222 H348 Ag6 N4 O23 S8 Si8 -","1","0.5","","Ciborska, Anna; Hnatejko, Zbigniew; Kazimierczuk, Katarzyna; Mielcarek, Agnieszka; Wiśniewska, Aleksandra; Dołęga, Anna","Silver complexes stabilized by large silanethiolate ligands ‒ crystal structures and luminescence properties","Dalton Trans.","2017","","","","","10.1039/C7DT00740J","","","0.71073","MoKα","","0.0934","0.0581","","","0.1729","0.2577","","","","","","1.002","","","","has coordinates,has disorder","199377","2020-10-21","18:00:00",""
"7043844","12.589","0.005","12.286","0.005","19.148","0.005","90","","91.931","0.005","90","","2959.9","1.9","100","2","100","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C34 H24 Co N10 O2 -","- C34 H24 Co N10 O2 -","- C136 H96 Co4 N40 O8 -","4","1","","Sengupta, Arunava; Rajput, Amit; Barman, Suman K.; Mukherjee, Rabi","Low-spin [MII(L)2] and [MIII(L)2]+ (M = Fe and Co) complexes of tridentate azo-containing pyridine/pyrazine amide ligands: structures, properties and redox potential correlations","Dalton Trans.","2017","","","","","10.1039/C7DT01577A","","","0.71069","MoKα","","0.0812","0.0482","","","0.0963","0.1112","","","","","","0.995","","","","has coordinates","199378","2020-10-21","18:00:00",""
"7043845","12.9608","0.0016","11.8152","0.0014","19.486","0.002","90","","92.1","0.002","90","","2982","0.6","100","2","100","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C36 H26 Co N8 O2 -","- C36 H26 Co N8 O2 -","- C144 H104 Co4 N32 O8 -","4","1","","Sengupta, Arunava; Rajput, Amit; Barman, Suman K.; Mukherjee, Rabi","Low-spin [MII(L)2] and [MIII(L)2]+ (M = Fe and Co) complexes of tridentate azo-containing pyridine/pyrazine amide ligands: structures, properties and redox potential correlations","Dalton Trans.","2017","","","","","10.1039/C7DT01577A","","","0.71073","MoKα","","0.0985","0.062","","","0.15","0.1722","","","","","","1.033","","","","has coordinates","199378","2020-10-21","18:00:00",""
"7043846","20.7434","0.0015","12.039","0.0009","25.9875","0.0018","90","","90","","90","","6489.9","0.8","100","2","100","2","","","","","","","","6","P b c a","-P 2ac 2ab","61","","","","- C37 H28 Cl2 Fe N8 O2 -","- C37 H28 Cl2 Fe N8 O2 -","- C296 H224 Cl16 Fe8 N64 O16 -","8","1","","Sengupta, Arunava; Rajput, Amit; Barman, Suman K.; Mukherjee, Rabi","Low-spin [MII(L)2] and [MIII(L)2]+ (M = Fe and Co) complexes of tridentate azo-containing pyridine/pyrazine amide ligands: structures, properties and redox potential correlations","Dalton Trans.","2017","","","","","10.1039/C7DT01577A","","","0.71073","MoKα","","0.0977","0.0549","","","0.1184","0.1396","","","","","","1.014","","","","has coordinates","199378","2020-10-21","18:00:00",""
"7043847","12.648","0.005","12.329","0.005","21.462","0.008","90","","97.918","0.007","90","","3315","2","100","2","100","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C36 H26 Cl Co N8 O6 -","- C36 H26 Cl Co N8 O6 -","- C144 H104 Cl4 Co4 N32 O24 -","4","1","","Sengupta, Arunava; Rajput, Amit; Barman, Suman K.; Mukherjee, Rabi","Low-spin [MII(L)2] and [MIII(L)2]+ (M = Fe and Co) complexes of tridentate azo-containing pyridine/pyrazine amide ligands: structures, properties and redox potential correlations","Dalton Trans.","2017","","","","","10.1039/C7DT01577A","","","0.71073","MoKα","","0.0937","0.0695","","","0.1741","0.1954","","","","","","1.085","","","","has coordinates","199378","2020-10-21","18:00:00",""
"7043848","14.714","0.002","24.385","0.002","11.8024","0.0013","90","","115.882","0.004","90","","3809.9","0.7","100","2","100","2","","","","","","","","7","C 1 2/m 1","-C 2y","12","","","","- C36 H26 B F4 Fe N8 O2 -","- C36 H26 B F4 Fe N8 O2 -","- C144 H104 B4 F16 Fe4 N32 O8 -","4","0.5","","Sengupta, Arunava; Rajput, Amit; Barman, Suman K.; Mukherjee, Rabi","Low-spin [MII(L)2] and [MIII(L)2]+ (M = Fe and Co) complexes of tridentate azo-containing pyridine/pyrazine amide ligands: structures, properties and redox potential correlations","Dalton Trans.","2017","","","","","10.1039/C7DT01577A","","","0.71073","MoKα","","0.1345","0.0927","","","0.2483","0.2778","","","","","","1.049","","","","has coordinates","199378","2020-10-21","18:00:00",""
"7043849","11.1427","0.0016","12.3508","0.0019","21.115","0.003","90","","97.055","0.004","90","","2883.9","0.7","100","2","100","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C34 H24 Fe N10 O2 -","- C34 H24 Fe N10 O2 -","- C136 H96 Fe4 N40 O8 -","4","1","","Sengupta, Arunava; Rajput, Amit; Barman, Suman K.; Mukherjee, Rabi","Low-spin [MII(L)2] and [MIII(L)2]+ (M = Fe and Co) complexes of tridentate azo-containing pyridine/pyrazine amide ligands: structures, properties and redox potential correlations","Dalton Trans.","2017","","","","","10.1039/C7DT01577A","","","0.71073","MoKα","","0.1273","0.0545","","","0.096","0.123","","","","","","0.971","","","","has coordinates","199378","2020-10-21","18:00:00",""
"7043850","17.296","0.003","16.028","0.005","8.76","0.002","90","","101.46","0.02","90","","2380","1","291","","291","1","","","","","","","synthesis as described","6","P 1 21/a 1","-P 2yab","14","","","","- C25 H20 Mo2 N O4 P -","- C25 H20 Mo2 N O4 P -","- C100 H80 Mo8 N4 O16 P4 -","4","1","","Alvarez, M. Angeles; García, M. Esther; García-Vivó, Daniel; Rueda, M. Teresa; Ruiz, Miguel A.; Toyos, Adrián; Vega, M. Fernanda","Terminal vs. bridging coordination of CO and NO ligands after decarbonylation of [W2Cp2(μ-PR2)(CO)3(NO)] complexes (R = Ph, Cy). An experimental and computational study","Dalton Trans.","2017","","","","","10.1039/C7DT02243C","","x-ray","0.71069","MoKα","","","0.032","","","0.033","","","","","","","1.217","","","","has coordinates","199379","2020-10-21","18:00:00",""
"7043851","12.0125","0.0003","15.8531","0.0005","18.6734","0.0006","90","","93.514","0.003","90","","3549.39","0.18","100","0.1","100","0.1","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C27 H41 N O6 P2 W2 -","- C27 H41 N O6 P2 W2 -","- C108 H164 N4 O24 P8 W8 -","4","1","","Alvarez, M. Angeles; García, M. Esther; García-Vivó, Daniel; Rueda, M. Teresa; Ruiz, Miguel A.; Toyos, Adrián; Vega, M. Fernanda","Terminal vs. bridging coordination of CO and NO ligands after decarbonylation of [W2Cp2(μ-PR2)(CO)3(NO)] complexes (R = Ph, Cy). An experimental and computational study","Dalton Trans.","2017","","","","","10.1039/C7DT02243C","","x-ray","1.54184","CuKα","","0.0455","0.0414","","","0.1309","0.1344","","","","","","0.832","","","","has coordinates","199379","2020-10-21","18:00:00",""
"7043852","13.2018","0.0004","12.0083","0.0004","13.7367","0.0004","90","","100.85","0.001","90","","2138.77","0.11","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","Iron-organic Compound","","","- C18 H24 Fe N4 O11 -","- C18 H24 Fe N4 O11 -","- C72 H96 Fe4 N16 O44 -","4","1","","Mahata, Partha; Singha, Debal Kanti","Coordination Polymer derived Nano-sized Zinc Ferrite with Excellent Performance in Nitro-explosives Detection","Dalton Trans.","2017","","","","","10.1039/C7DT02115A","","","0.71073","MoKα","","0.0411","0.032","","","0.0924","0.1086","","","","","","1.114","","","","has coordinates","199420","2020-10-21","18:00:00",""
"7043853","13.743","0.004","6.963","0.002","13.777","0.004","90","","90","","90","","1318.4","0.7","100","2","100.15","","","","","","","","","5","P c c a","-P 2a 2ac","54","","","","- C6 H2 N14 O Pb -","- C6 H2 N14 O Pb -","- C24 H8 N56 O4 Pb4 -","4","0.5","","Xu, Yuangang; Liu, wei; li, dongxue; Chen, Houhe; Lu, Ming","In situ synthesized 3D metal-organic frameworks (MOFs) constructed from transition metal cations and tetrazole derivatives : a family of insensitive energetic materials","Dalton Trans.","2017","","","","","10.1039/C7DT02582C","","","0.71073","MoKα","","0.0665","0.0574","","","0.1367","0.1394","","","","","","1.171","","","","has coordinates","199421","2020-10-21","18:00:00",""
"7043854","9.9881","0.0003","11.4508","0.0003","7.5151","0.0002","90","","99.85","0.002","90","","846.84","0.04","170","","170","","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C2 H3 Ag N4 -","- C2 H3 Ag N4 -","- C16 H24 Ag8 N32 -","8","1","","Xu, Yuangang; Liu, wei; li, dongxue; Chen, Houhe; Lu, Ming","In situ synthesized 3D metal-organic frameworks (MOFs) constructed from transition metal cations and tetrazole derivatives : a family of insensitive energetic materials","Dalton Trans.","2017","","","","","10.1039/C7DT02582C","","","0.71073","MoKα","","0.0182","0.0152","","","0.0379","0.0385","","","","","","1.157","","","","has coordinates","199421","2020-10-21","18:00:00",""
"7043855","13.149","0.002","13.149","0.002","13.596","0.003","90","","90","","120","","2035.8","0.6","205","","205","","","","","","","","","4","P 63/m m c","-P 6c 2c","194","","","","- C18 H27 Cd5 N36 -","- C18 H27 Cd5 N36 -","- C36 H54 Cd10 N72 -","2","0.0833333","","Xu, Yuangang; Liu, wei; li, dongxue; Chen, Houhe; Lu, Ming","In situ synthesized 3D metal-organic frameworks (MOFs) constructed from transition metal cations and tetrazole derivatives : a family of insensitive energetic materials","Dalton Trans.","2017","","","","","10.1039/C7DT02582C","","","0.71073","MoKα","","0.0768","0.0624","","","0.1915","0.2023","","","","","","1.054","","","","has coordinates,has disorder","199421","2020-10-21","18:00:00",""
"7043856","10.106","0.003","10.342","0.003","15.143","0.005","90","","99.523","0.005","90","","1560.9","0.8","296.15","","296.15","","","","","","","","","5","C 1 c 1","C -2yc","9","","","","- C4 H4 N18 O3 Pb3 -","- C4 H4 N18 O3 Pb3 -","- C16 H16 N72 O12 Pb12 -","4","1","","Xu, Yuangang; Liu, wei; li, dongxue; Chen, Houhe; Lu, Ming","In situ synthesized 3D metal-organic frameworks (MOFs) constructed from transition metal cations and tetrazole derivatives : a family of insensitive energetic materials","Dalton Trans.","2017","","","","","10.1039/C7DT02582C","","","0.71073","MoKα","","0.05","0.0483","","","0.1153","0.1167","","","","","","1.08","","","","has coordinates","199421","2020-10-21","18:00:00",""
"7043857","10.3409","0.0004","16.3633","0.0007","18.3773","0.0008","90","","103.733","0.001","90","","3020.7","0.2","100","2","100","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C35 H43 Ir N2 P2 -","- C35 H38 Ir N2 P2 -","- C140 H152 Ir4 N8 P8 -","4","1","","Casado, Miguel Ángel; Mena, Inmaculada; García-Orduña, Pilar; Polo, Victor; Lahoz, Fernando J.; Oro, Luis A.","Reactivity of Parent Amido Complexes of Iridium with Olefins: C-NH2 Bond Formation versus C-H Activation","Dalton Trans.","2017","","","","","10.1039/C7DT01924F","","","0.71073","MoKα","","0.0268","0.0221","","","0.0554","0.0572","","","","","","1.13","","","","has coordinates","199422","2020-10-21","18:00:00",""
"7043858","16.531","0.001","18.3871","0.0012","20.0878","0.0013","90","","90","","90","","6105.8","0.7","100","2","100","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C36 H39 Ir P2 -","- C36 H39 Ir P2 -","- C288 H312 Ir8 P16 -","8","1","","Casado, Miguel Ángel; Mena, Inmaculada; García-Orduña, Pilar; Polo, Victor; Lahoz, Fernando J.; Oro, Luis A.","Reactivity of Parent Amido Complexes of Iridium with Olefins: C-NH2 Bond Formation versus C-H Activation","Dalton Trans.","2017","","","","","10.1039/C7DT01924F","","","0.71073","MoKα","","0.0638","0.0273","","","0.0472","0.0576","","","","","","1.067","","","","has coordinates","199422","2020-10-21","18:00:00",""
"7043859","44.924","0.002","47.578","0.002","21.0515","0.0011","90","","90","","90","","44995","4","100","2","100","2","","","","","","","","6","F d d 2","F 2 -2d","43","","","","- C140 H134 F8 Ir2 N2 P6 -","- C126 H118 F8 Ir2 N2 P6 -","- C2016 H1888 F128 Ir32 N32 P96 -","16","1","","Casado, Miguel Ángel; Mena, Inmaculada; García-Orduña, Pilar; Polo, Victor; Lahoz, Fernando J.; Oro, Luis A.","Reactivity of Parent Amido Complexes of Iridium with Olefins: C-NH2 Bond Formation versus C-H Activation","Dalton Trans.","2017","","","","","10.1039/C7DT01924F","","","0.71073","MoKα","","0.0667","0.0486","","","0.1006","0.1084","","","","","","1.079","","","","has coordinates","199422","2020-10-21","18:00:00",""
"7043860","20.0453","0.0004","8.0704","0.0001","21.0222","0.0004","90","","100.727","0.002","90","","3341.41","0.1","130","2","130","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C12 H25 B9 Ru -","- C12 H25 B9 Ru -","- C96 H200 B72 Ru8 -","8","2","","Hey-Hawkins, Evamarie; Gozzi, Marta; Schwarze, Benedikt; Sarosi, Menyhart B.; Drača, Dijana; Maksimovic-Ivanic, Danijela; Mijatovic, Sanja; Lönnecke, Peter","Antiproliferative activity of (η6-arene)ruthenacarborane sandwich complexes against HCT116 and MCF7 cell lines","Dalton Trans.","2017","","","","","10.1039/C7DT02027A","","","0.71073","MoKα","","0.0519","0.0391","","","0.0723","0.0755","","","","","","1.168","","","","has coordinates,has disorder","199423","2020-10-21","18:00:00",""
"7043861","11.326","0.0002","10.9993","0.0002","13.5471","0.0002","90","","97.546","0.002","90","","1673.06","0.05","130","2","130","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C14 H21 B9 Ru -","- C14 H21 B9 Ru -","- C56 H84 B36 Ru4 -","4","1","","Hey-Hawkins, Evamarie; Gozzi, Marta; Schwarze, Benedikt; Sarosi, Menyhart B.; Drača, Dijana; Maksimovic-Ivanic, Danijela; Mijatovic, Sanja; Lönnecke, Peter","Antiproliferative activity of (η6-arene)ruthenacarborane sandwich complexes against HCT116 and MCF7 cell lines","Dalton Trans.","2017","","","","","10.1039/C7DT02027A","","","0.71073","MoKα","","0.0379","0.0289","","","0.0575","0.0606","","","","","","1.057","","","","has coordinates","199423","2020-10-21","18:00:00",""
"7043862","8.3684","0.0001","12.5136","0.0001","16.4655","0.0002","90","","103.914","0.001","90","","1673.65","0.03","130","2","130","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C12 H23 B9 O2 Ru -","- C12 H23 B9 O2 Ru -","- C48 H92 B36 O8 Ru4 -","4","1","","Hey-Hawkins, Evamarie; Gozzi, Marta; Schwarze, Benedikt; Sarosi, Menyhart B.; Drača, Dijana; Maksimovic-Ivanic, Danijela; Mijatovic, Sanja; Lönnecke, Peter","Antiproliferative activity of (η6-arene)ruthenacarborane sandwich complexes against HCT116 and MCF7 cell lines","Dalton Trans.","2017","","","","","10.1039/C7DT02027A","","","0.71073","MoKα","","0.035","0.0272","","","0.059","0.0623","","","","","","1.081","","","","has coordinates","199423","2020-10-21","18:00:00",""
"7043863","12.1753","0.0012","23.756","0.003","26.951","0.003","90","","95.658","0.003","90","","7757.2","1.5","100","","100","","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C62 H84 Mn5 N25 O22 -","- C62 H75 Mn5 N25 O22 -","- C248 H300 Mn20 N100 O88 -","4","1","","Murrie, Mark; Heras Ojea, Maria Jose; Hay, Moya; Cioncoloni, Giacomo; Craig, Gavin A.; Wilson, Claire; Shiga, Takuya; Oshio, Hiroki; Symes, Mark D.","Ligand-directed synthesis of {MnIII5} twisted bow-ties","Dalton Trans.","2017","","","","","10.1039/C7DT02430D","","","0.71073","MoKα","","0.0496","0.0381","","","0.0939","0.1018","","","","","","1.085","","","","has coordinates,has disorder","199424","2020-10-21","18:00:00",""
"7043864","12.0222","0.0003","12.0473","0.0004","49.8716","0.0012","90","","90.877","0.002","90","","7222.3","0.3","100","2","100","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C54 H67 Mn5 N22 O16 -","- C54 H62 Mn5 N22 O16 -","- C216 H248 Mn20 N88 O64 -","4","1","","Murrie, Mark; Heras Ojea, Maria Jose; Hay, Moya; Cioncoloni, Giacomo; Craig, Gavin A.; Wilson, Claire; Shiga, Takuya; Oshio, Hiroki; Symes, Mark D.","Ligand-directed synthesis of {MnIII5} twisted bow-ties","Dalton Trans.","2017","","","","","10.1039/C7DT02430D","","x-ray","0.71073","MoKα","","0.1027","0.0896","","","0.2087","0.2144","","","","","","1.228","","","","has coordinates,has disorder","199424","2020-10-21","18:00:00",""
"7043865","11.5713","0.001","13.5389","0.0012","16.9115","0.0015","90","","99.317","0.002","90","","2614.4","0.4","90","2","90","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C26 H37 B N3 P S -","- C26 H37 B N3 P S -","- C104 H148 B4 N12 P4 S4 -","4","1","","Koner, Abhishek; Serin, Spencer C.; Schnakenburg, Gregor; Patrick, Brian O.; Gates, Derek P.; Streubel, Rainer","Exploring the chemistry of backbone amino(chloro)phosphanyl-substituted imidazole-2-thiones","Dalton Trans.","2017","","","","","10.1039/C7DT01859B","","x-ray","0.71073","MoKα","","0.0502","0.036","","","0.0857","0.094","","","","","","1.02","","","","has coordinates","199425","2020-10-21","18:00:00",""
"7043866","9.4412","0.0016","15.818","0.003","17.317","0.003","99.675","0.004","90.025","0.004","92.645","0.004","2546.5","0.8","90","2","90","2","","","","","","","","5","P -1","-P 1","2","","","","- C26 H36 N3 P S -","- C26 H36 N3 P S -","- C104 H144 N12 P4 S4 -","4","2","","Koner, Abhishek; Serin, Spencer C.; Schnakenburg, Gregor; Patrick, Brian O.; Gates, Derek P.; Streubel, Rainer","Exploring the chemistry of backbone amino(chloro)phosphanyl-substituted imidazole-2-thiones","Dalton Trans.","2017","","","","","10.1039/C7DT01859B","","x-ray","0.71073","MoKα","","0.0741","0.0462","","","0.0997","0.112","","","","","","1.007","","","","has coordinates,has disorder","199425","2020-10-21","18:00:00",""
"7043867","20.39","0.002","14.3808","0.0014","27.503","0.003","90","","95.164","0.003","90","","8031.8","1.4","100","","100","","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","ABK-344","","- C40 H46 Cl4 N3 P S -","- C40 H46 Cl4 N3 P S -","- C320 H368 Cl32 N24 P8 S8 -","8","1","","Koner, Abhishek; Serin, Spencer C.; Schnakenburg, Gregor; Patrick, Brian O.; Gates, Derek P.; Streubel, Rainer","Exploring the chemistry of backbone amino(chloro)phosphanyl-substituted imidazole-2-thiones","Dalton Trans.","2017","","","","","10.1039/C7DT01859B","","","0.71073","MoKα","","0.0895","0.0706","","","0.2011","0.2393","","","","","","1.052","","","","has coordinates","199425","2020-10-21","18:00:00",""
"7043868","11.6794","0.0007","9.3892","0.0006","14.5557","0.0009","90","","110.915","0.003","90","","1491.01","0.16","100","","100","","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","ABK-247","","- C11 H21 Cl N3 P S -","- C11 H21 Cl N3 P S -","- C44 H84 Cl4 N12 P4 S4 -","4","1","","Koner, Abhishek; Serin, Spencer C.; Schnakenburg, Gregor; Patrick, Brian O.; Gates, Derek P.; Streubel, Rainer","Exploring the chemistry of backbone amino(chloro)phosphanyl-substituted imidazole-2-thiones","Dalton Trans.","2017","","","","","10.1039/C7DT01859B","","x-ray","1.54178","CuKα","","0.055","0.0465","","","0.1147","0.1214","","","","","","1.066","","","","has coordinates","199425","2020-10-21","18:00:00",""
"7043869","19.8301","0.0009","19.8301","0.0009","19.3402","0.0008","90","","90","","120","","6586.3","0.5","150","2","150","2","","","","","","","","4","R -3","-R 3","148","","","","- C48 H27 As O -","- C48 H27 As O -","- C288 H162 As6 O6 -","6","","","Behm, Kira; Essner, Jeremy B.; Barnes, Charles L.; Baker, Gary A.; Walensky, Justin R.","Synthesis and fluorescence spectroscopy of tris(pyrenyl)pnictogen compounds","Dalton Trans.","2017","","","","","10.1039/C7DT01953J","","","0.71073","MoKα","","0.0789","0.0466","","","0.1071","0.1174","","","","","","1.076","","","","has coordinates","199449","2020-10-21","18:00:00",""
"7043870","19.6411","0.0011","19.6411","0.0011","19.5128","0.001","90","","90","","120","","6519","0.6","150","2","150","2","","","","","","","","4","R -3","-R 3","148","","","","- C48 H27 O1.5 P -","- C48 H27 O1.4998 P -","- C288 H162 O8.9988 P6 -","6","","","Behm, Kira; Essner, Jeremy B.; Barnes, Charles L.; Baker, Gary A.; Walensky, Justin R.","Synthesis and fluorescence spectroscopy of tris(pyrenyl)pnictogen compounds","Dalton Trans.","2017","","","","","10.1039/C7DT01953J","","","0.71073","MoKα","","0.0924","0.0622","","","0.1701","0.1865","","","","","","1.04","","","","has coordinates,has disorder","199449","2020-10-21","18:00:00",""
"7043871","11.674","0.0005","13.0869","0.0006","13.1122","0.0006","97.647","0.001","113.555","0.001","102.873","0.001","1733.99","0.14","150","2","150","2","","","","","","","","3","P -1","-P 1","2","","","","- C48 H27 P -","- C48 H27 P -","- C96 H54 P2 -","2","1","","Behm, Kira; Essner, Jeremy B.; Barnes, Charles L.; Baker, Gary A.; Walensky, Justin R.","Synthesis and fluorescence spectroscopy of tris(pyrenyl)pnictogen compounds","Dalton Trans.","2017","","","","","10.1039/C7DT01953J","","","0.71073","MoKα","","0.0795","0.0553","","","0.1372","0.1518","","","","","","1.022","","","","has coordinates","199449","2020-10-21","18:00:00",""
"7043872","7.7665","0.0004","29.8018","0.0015","8.2632","0.0004","90","","105.868","0.001","90","","1839.68","0.16","150","2","150","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C15 H21 Ho N2 O8 -","- C15 H21 Ho N2 O8 -","- C60 H84 Ho4 N8 O32 -","4","1","","Gavrikov, Andrey Vyacheslavovich; Efimov, Nikolay; Dobrohotova, Zhanna; Ilyukhin, Andrey Borisovich; Vasilyev, Pavel Nikolaevich; Novotortsev, Vladimir M.","Novel mononuclear Ln complexes with pyrazine-2-carboxylate and acetylacetonate co-ligands: remarkable Single Molecule Magnet behavior of Yb derivative","Dalton Trans.","2017","","","","","10.1039/C7DT02175E","","","0.71073","MoKα","","0.0425","0.039","","","0.0721","0.0728","","","","","","1.562","","","","has coordinates","199450","2020-10-21","18:00:00",""
"7043873","7.79","0.0005","29.8733","0.0018","8.2641","0.0005","90","","105.941","0.002","90","","1849.2","0.2","173","2","173","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C15 H21 Dy N2 O8 -","- C15 H21 Dy N2 O8 -","- C60 H84 Dy4 N8 O32 -","4","1","","Gavrikov, Andrey Vyacheslavovich; Efimov, Nikolay; Dobrohotova, Zhanna; Ilyukhin, Andrey Borisovich; Vasilyev, Pavel Nikolaevich; Novotortsev, Vladimir M.","Novel mononuclear Ln complexes with pyrazine-2-carboxylate and acetylacetonate co-ligands: remarkable Single Molecule Magnet behavior of Yb derivative","Dalton Trans.","2017","","","","","10.1039/C7DT02175E","","","0.71073","MoKα","","0.0462","0.0434","","","0.11","0.1114","","","","","","1.222","","","","has coordinates","199450","2020-10-21","18:00:00",""
"7043874","7.736","0.0007","29.71","0.002","8.2611","0.0007","90","","105.765","0.002","90","","1827.3","0.3","150","2","150","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C15 H21 N2 O8 Yb -","- C15 H21 N2 O8 Yb -","- C60 H84 N8 O32 Yb4 -","4","1","","Gavrikov, Andrey Vyacheslavovich; Efimov, Nikolay; Dobrohotova, Zhanna; Ilyukhin, Andrey Borisovich; Vasilyev, Pavel Nikolaevich; Novotortsev, Vladimir M.","Novel mononuclear Ln complexes with pyrazine-2-carboxylate and acetylacetonate co-ligands: remarkable Single Molecule Magnet behavior of Yb derivative","Dalton Trans.","2017","","","","","10.1039/C7DT02175E","","","0.71073","MoKα","","0.0507","0.0371","","","0.0785","0.0836","","","","","","1.009","","","","has coordinates","199450","2020-10-21","18:00:00",""
"7043875","7.8334","0.0009","30.012","0.004","8.2681","0.001","90","","106.095","0.002","90","","1867.6","0.4","173","2","173","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C15 H21 Eu N2 O8 -","- C15 H21 Eu N2 O8 -","- C60 H84 Eu4 N8 O32 -","4","1","","Gavrikov, Andrey Vyacheslavovich; Efimov, Nikolay; Dobrohotova, Zhanna; Ilyukhin, Andrey Borisovich; Vasilyev, Pavel Nikolaevich; Novotortsev, Vladimir M.","Novel mononuclear Ln complexes with pyrazine-2-carboxylate and acetylacetonate co-ligands: remarkable Single Molecule Magnet behavior of Yb derivative","Dalton Trans.","2017","","","","","10.1039/C7DT02175E","","","0.71073","MoKα","","0.0472","0.0394","","","0.0803","0.083","","","","","","1.168","","","","has coordinates","199450","2020-10-21","18:00:00",""
"7043876","7.7499","0.0008","29.727","0.003","8.2564","0.0009","90","","105.848","0.001","90","","1829.8","0.3","150","2","150","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C15 H21 Er N2 O8 -","- C15 H21 Er N2 O8 -","- C60 H84 Er4 N8 O32 -","4","1","","Gavrikov, Andrey Vyacheslavovich; Efimov, Nikolay; Dobrohotova, Zhanna; Ilyukhin, Andrey Borisovich; Vasilyev, Pavel Nikolaevich; Novotortsev, Vladimir M.","Novel mononuclear Ln complexes with pyrazine-2-carboxylate and acetylacetonate co-ligands: remarkable Single Molecule Magnet behavior of Yb derivative","Dalton Trans.","2017","","","","","10.1039/C7DT02175E","","","0.71073","MoKα","","0.0479","0.045","","","0.0864","0.0872","","","","","","1.607","","","","has coordinates","199450","2020-10-21","18:00:00",""
"7043877","7.763","0.0005","29.772","0.002","8.2595","0.0006","90","","105.846","0.001","90","","1836.4","0.2","120","2","120","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C15 H21 N2 O8 Y -","- C15 H21 N2 O8 Y -","- C60 H84 N8 O32 Y4 -","4","1","","Gavrikov, Andrey Vyacheslavovich; Efimov, Nikolay; Dobrohotova, Zhanna; Ilyukhin, Andrey Borisovich; Vasilyev, Pavel Nikolaevich; Novotortsev, Vladimir M.","Novel mononuclear Ln complexes with pyrazine-2-carboxylate and acetylacetonate co-ligands: remarkable Single Molecule Magnet behavior of Yb derivative","Dalton Trans.","2017","","","","","10.1039/C7DT02175E","","","0.71073","MoKα","","0.0584","0.0385","","","0.0815","0.087","","","","","","1.052","","","","has coordinates","199450","2020-10-21","18:00:00",""
"7043878","7.8191","0.0009","29.984","0.003","8.2673","0.0009","90","","105.95","0.002","90","","1863.6","0.3","173","2","173","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C15 H21 Gd N2 O8 -","- C15 H21 Gd N2 O8 -","- C60 H84 Gd4 N8 O32 -","4","1","","Gavrikov, Andrey Vyacheslavovich; Efimov, Nikolay; Dobrohotova, Zhanna; Ilyukhin, Andrey Borisovich; Vasilyev, Pavel Nikolaevich; Novotortsev, Vladimir M.","Novel mononuclear Ln complexes with pyrazine-2-carboxylate and acetylacetonate co-ligands: remarkable Single Molecule Magnet behavior of Yb derivative","Dalton Trans.","2017","","","","","10.1039/C7DT02175E","","","0.71073","MoKα","","0.0562","0.0411","","","0.0761","0.0804","","","","","","1.105","","","","has coordinates","199450","2020-10-21","18:00:00",""
"7043879","7.741","0.0007","29.734","0.003","8.2614","0.0007","90","","105.811","0.001","90","","1829.6","0.3","150","2","150","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C15 H21 N2 O8 Tm -","- C15 H21 N2 O8 Tm -","- C60 H84 N8 O32 Tm4 -","4","1","","Gavrikov, Andrey Vyacheslavovich; Efimov, Nikolay; Dobrohotova, Zhanna; Ilyukhin, Andrey Borisovich; Vasilyev, Pavel Nikolaevich; Novotortsev, Vladimir M.","Novel mononuclear Ln complexes with pyrazine-2-carboxylate and acetylacetonate co-ligands: remarkable Single Molecule Magnet behavior of Yb derivative","Dalton Trans.","2017","","","","","10.1039/C7DT02175E","","","0.71073","MoKα","","0.0508","0.0377","","","0.0765","0.0807","","","","","","1.077","","","","has coordinates","199450","2020-10-21","18:00:00",""
"7043880","7.7951","0.0005","29.903","0.002","8.2627","0.0006","90","","105.851","0.001","90","","1852.8","0.2","150","2","150","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C15 H21 N2 O8 Tb -","- C15 H21 N2 O8 Tb -","- C60 H84 N8 O32 Tb4 -","4","1","","Gavrikov, Andrey Vyacheslavovich; Efimov, Nikolay; Dobrohotova, Zhanna; Ilyukhin, Andrey Borisovich; Vasilyev, Pavel Nikolaevich; Novotortsev, Vladimir M.","Novel mononuclear Ln complexes with pyrazine-2-carboxylate and acetylacetonate co-ligands: remarkable Single Molecule Magnet behavior of Yb derivative","Dalton Trans.","2017","","","","","10.1039/C7DT02175E","","","0.71073","MoKα","","0.0396","0.0335","","","0.0652","0.0671","","","","","","1.136","","","","has coordinates","199450","2020-10-21","18:00:00",""
"7043881","8.1139","0.0009","11.2775","0.0013","12.7151","0.0014","93.185","0.003","104.866","0.003","107.323","0.002","1062.5","0.2","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C19.5 H21 Cl N10 Ni -","- C19.5 H21 Cl N10 Ni -","- C39 H42 Cl2 N20 Ni2 -","2","1","","Huynh, Han Vinh; Koh, Christine Hui Min; Nguyen, Van Ha","Heteroleptic nickel(II)-diNHC complexes and unusual ‘reverse’ carbene-transfer to silver(I)","Dalton Trans.","2017","","","","","10.1039/C7DT01912B","","","0.71073","MoKα","","0.094","0.0617","","","0.1434","0.1715","","","","","","1.046","","","","has coordinates,has disorder","199451","2020-10-21","18:00:00",""
"7043882","8.6988","0.0013","12.4353","0.0019","13.505","0.002","105.18","0.002","102.756","0.002","108.548","0.002","1260.7","0.3","100","2","100","2","","","","","","","","6","P -1","-P 1","2","","","","- C23 H25 Cl I2 N4 Ni -","- C23 H25 Cl I2 N4 Ni -","- C46 H50 Cl2 I4 N8 Ni2 -","2","1","","Huynh, Han Vinh; Koh, Christine Hui Min; Nguyen, Van Ha","Heteroleptic nickel(II)-diNHC complexes and unusual ‘reverse’ carbene-transfer to silver(I)","Dalton Trans.","2017","","","","","10.1039/C7DT01912B","","","0.71073","MoKα","","0.0833","0.0589","","","0.1415","0.1537","","","","","","1.065","","","","has coordinates,has disorder","199451","2020-10-21","18:00:00",""
"7043883","16.9338","0.0016","8.5206","0.0008","16.0788","0.0015","90","","90","","90","","2319.9","0.4","100","2","100","2","","","","","","","","5","P b c n","-P 2n 2ab","60","","","","- C23 H26 Ag2 N4 O4 -","- C23 H26 Ag2 N4 O4 -","- C92 H104 Ag8 N16 O16 -","4","0.5","","Huynh, Han Vinh; Koh, Christine Hui Min; Nguyen, Van Ha","Heteroleptic nickel(II)-diNHC complexes and unusual ‘reverse’ carbene-transfer to silver(I)","Dalton Trans.","2017","","","","","10.1039/C7DT01912B","","","0.71073","MoKα","","0.036","0.0272","","","0.0625","0.0658","","","","","","1.048","","","","has coordinates","199451","2020-10-21","18:00:00",""
"7043884","8.649","0.006","10.985","0.008","15.733","0.012","81.77","0.016","85.099","0.018","70.204","0.014","1390.9","1.8","293","2","293","2","","","","","","","","7","P -1","-P 1","2","","","","- C23.5 H22 Cl2.15 F5.5 N4 Ni O3.75 -","- C23.686 H22 Cl2.157 F5.529 N4 Ni O3.686 -","- C47.372 H44 Cl4.314 F11.058 N8 Ni2 O7.372 -","2","1","","Huynh, Han Vinh; Koh, Christine Hui Min; Nguyen, Van Ha","Heteroleptic nickel(II)-diNHC complexes and unusual ‘reverse’ carbene-transfer to silver(I)","Dalton Trans.","2017","","","","","10.1039/C7DT01912B","","","0.71073","MoKα","","0.103","0.0671","","","0.1518","0.1728","","","","","","1.05","","","","has coordinates,has disorder","199451","2020-10-21","18:00:00",""
"7043885","8.6096","0.0003","21.5267","0.0008","14.9694","0.0006","90","","97.989","0.001","90","","2747.45","0.18","100","2","100","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C30 H41 N Pt S -","- C30 H41 N Pt S -","- C120 H164 N4 Pt4 S4 -","4","1","","Jamali, Sirous; Bagherzadeh, Mojtaba; Kia, Reza; Samouei, Hamidreza; Mousavi, Narges-Alsadat","Stimuli-Responsive Emissive Behavior of 1- and 1, 3-Connectivities in Azulene-Based Imine Ligands: Cycloplatination and and Pt-Tl Dative Bond Formation","Dalton Trans.","2017","","","","","10.1039/C7DT02359F","","","1.54178","CuKα","","0.0501","0.0442","","","0.1175","0.1218","","","","","","1.078","","","","has coordinates","199452","2020-10-21","18:00:00",""
"7043886","10.6161","0.0014","15.167","0.002","23.455","0.003","104.699","0.008","100.17","0.007","92.911","0.007","3577.4","0.8","294","2","294","2","","","","","","","","9","P -1","-P 1","2","","","","- C68 H93 F6 N2 O14 P Pt2 S2 Tl -","- C60 H82 F6 N2 P Pt2 S2 Tl -","- C120 H164 F12 N4 P2 Pt4 S4 Tl2 -","2","1","","Jamali, Sirous; Bagherzadeh, Mojtaba; Kia, Reza; Samouei, Hamidreza; Mousavi, Narges-Alsadat","Stimuli-Responsive Emissive Behavior of 1- and 1, 3-Connectivities in Azulene-Based Imine Ligands: Cycloplatination and and Pt-Tl Dative Bond Formation","Dalton Trans.","2017","","","","","10.1039/C7DT02359F","","","1.54178","CuKα","","0.0784","0.0646","","","0.1916","0.2225","","","","","","1.138","","","","has coordinates,has disorder","199452","2020-10-21","18:00:00",""
"7043887","14.0127","0.0003","14.0127","0.0003","21.3415","0.0004","90","","90","","90","","4190.53","0.15","170","2","170.15","","","","","","","","","5","P -4 n 2","P -4 -2n","118","","","","- C100 H112 O6 P4 U -","- C92 H96 O4 P4 U -","- C184 H192 O8 P8 U2 -","2","0.25","","Sinclair, Fern; Hlina, Johann A.; Wells, Jordann A. L.; Shaver, Michael P.; Arnold, Polly L.","Ring opening polymerisation of lactide with uranium(iv) and cerium(iv) phosphinoaryloxide complexes","Dalton Trans.","2017","","","","","10.1039/C7DT02167D","","x-ray","0.71073","MoKα","","0.0357","0.0235","","","0.0495","0.0544","","","","","","1.082","","","","has coordinates","199482","2020-10-21","18:00:00",""
"7043888","11.9128","0.0003","12.814","0.0004","25.3401","0.0006","102.706","0.002","102.325","0.0019","93.444","0.002","3663.17","0.18","170","2","170","2","","","","","","","","6","P -1","-P 1","2","","","","- C84 H109 Ce O4 P3 Si -","- C72 H81 Ce O4 P3 Si -","- C144 H162 Ce2 O8 P6 Si2 -","2","1","","Sinclair, Fern; Hlina, Johann A.; Wells, Jordann A. L.; Shaver, Michael P.; Arnold, Polly L.","Ring opening polymerisation of lactide with uranium(iv) and cerium(iv) phosphinoaryloxide complexes","Dalton Trans.","2017","","","","","10.1039/C7DT02167D","","x-ray","0.71073","MoKα","","0.0543","0.0382","","","0.0749","0.0797","","","","","","1.018","","","","has coordinates","199482","2020-10-21","18:00:00",""
"7043889","7.59","0.003","11.39","0.002","13.99","0.01","90","","90","","90","","1209.4","1","100","2","100","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C10 H16 N2 O5 Zn -","- C10 H16 N2 O5 Zn -","- C40 H64 N8 O20 Zn4 -","4","1","","Rodríguez-Hemida, Sabina; Evangelio, Emi; Rubio-Martinez, Marta; Imaz, Inhar; Verdaguer, Albert; Juanhuix, Jordi; Maspoch, Daniel","Leucine zipper motif inspiration: a two-dimensional Leucine Velcro-like array in peptide coordination polymers generates hydrophobicity","Dalton Trans.","2017","","","","","10.1039/C7DT02153D","","","0.82653","synchrotron","","0.0418","0.0409","","","0.1066","0.1082","","","","","","1.072","","","","has coordinates","199483","2020-10-21","18:00:00",""
"7043890","5.44","0.004","6.07","0.001","19.8","0.001","90","","94.836","0.011","90","","651.5","0.5","100","2","100","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C10 H16 N2 O5 Zn -","- C10 H16 N2 O5 Zn -","- C20 H32 N4 O10 Zn2 -","2","1","","Rodríguez-Hemida, Sabina; Evangelio, Emi; Rubio-Martinez, Marta; Imaz, Inhar; Verdaguer, Albert; Juanhuix, Jordi; Maspoch, Daniel","Leucine zipper motif inspiration: a two-dimensional Leucine Velcro-like array in peptide coordination polymers generates hydrophobicity","Dalton Trans.","2017","","","","","10.1039/C7DT02153D","","","0.82656","synchrotron","","0.0776","0.0721","","","0.1895","0.1966","","","","","","1.108","","","","has coordinates","199483","2020-10-21","18:00:00",""
"7043891","8.7","0.005","6.2","0.005","18.52","0.004","90","","98.09","0.005","90","","989","1","100","2","100","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C16 H29 N3 O7 Zn -","- C16 H27 N3 O7 Zn -","- C32 H54 N6 O14 Zn2 -","2","1","","Rodríguez-Hemida, Sabina; Evangelio, Emi; Rubio-Martinez, Marta; Imaz, Inhar; Verdaguer, Albert; Juanhuix, Jordi; Maspoch, Daniel","Leucine zipper motif inspiration: a two-dimensional Leucine Velcro-like array in peptide coordination polymers generates hydrophobicity","Dalton Trans.","2017","","","","","10.1039/C7DT02153D","","","0.89843","synchrotron","","0.255","0.1483","","","0.3049","0.4284","","","","","","0.654","","","","has coordinates","199483","2020-10-21","18:00:00",""
"7043892","19.387","0.004","19.387","0.004","60.831","0.013","90","","90","","90","","22864","8","293","2","293","2","","","","","","","","5","I 41/a m d","-I 4bd 2","141","","","","- C85 H119 Cu3 N15 O26 -","- C46 H28 Cu3 N2 O13 -","- C368 H224 Cu24 N16 O104 -","8","","","Wang, Peng; Chen, Kai; Liu, Qing; Wang, Huai-Wei; Azam, Mohammad; Al-Resayes, Saud I; Lu, Yi; Sun, Wei-Yin","Fine tuning catalytic and sorption properties of metal-organic frameworks via in situ ligand exchange","Dalton Trans.","2017","","","","","10.1039/C7DT02231J","","","0.71073","MoKα","","0.1351","0.0599","","","0.1217","0.137","","","","","","1.029","","","","has coordinates,has disorder","199484","2020-10-21","18:00:00",""
"7043893","19.627","0.002","19.627","","60.175","0.006","90","","90","","90","","23181","3","293","2","293","2","","","","","","","","5","I 41/a m d","-I 4bd 2","141","","","","- C152 H184 Cu6 N20 O50 -","- C104 H72 Cu6 N4 O34 -","- C416 H288 Cu24 N16 O136 -","4","","","Wang, Peng; Chen, Kai; Liu, Qing; Wang, Huai-Wei; Azam, Mohammad; Al-Resayes, Saud I; Lu, Yi; Sun, Wei-Yin","Fine tuning catalytic and sorption properties of metal-organic frameworks via in situ ligand exchange","Dalton Trans.","2017","","","","","10.1039/C7DT02231J","","","0.71073","MoKα","","0.1318","0.0738","","","0.1863","0.2157","","","","","","1.12","","","","has coordinates,has disorder","199484","2020-10-21","18:00:00",""
"7043894","20.009","0.001","20.009","","59.029","0.007","90","","90","","90","","23633","3","293","2","293","2","","","","","","","","5","I 41/a m d","-I 4bd 2","141","","","","- C78 H112 Cu3 N12 O27 -","- C42 H28 Cu3 O15 -","- C336 H224 Cu24 O120 -","8","","","Wang, Peng; Chen, Kai; Liu, Qing; Wang, Huai-Wei; Azam, Mohammad; Al-Resayes, Saud I; Lu, Yi; Sun, Wei-Yin","Fine tuning catalytic and sorption properties of metal-organic frameworks via in situ ligand exchange","Dalton Trans.","2017","","","","","10.1039/C7DT02231J","","","0.71073","MoKα","","0.1232","0.0643","","","0.2132","0.2414","","","","","","1.106","","","","has coordinates","199484","2020-10-21","18:00:00",""
"7043895","19.73","0.004","19.73","0.004","60.06","0.01","90","","90","","90","","23380","8","296","2","296","2","","","","","","","","5","I 41/a m d","-I 4bd 2","141","","","","- C86 H114 Cu3 N14 O25 -","- C50 H30 Cu3 N2 O13 -","- C400 H240 Cu24 N16 O104 -","8","","","Wang, Peng; Chen, Kai; Liu, Qing; Wang, Huai-Wei; Azam, Mohammad; Al-Resayes, Saud I; Lu, Yi; Sun, Wei-Yin","Fine tuning catalytic and sorption properties of metal-organic frameworks via in situ ligand exchange","Dalton Trans.","2017","","","","","10.1039/C7DT02231J","","","0.71073","MoKα","","0.0768","0.0417","","","0.1334","0.1468","","","","","","1.02","","","","has coordinates","199484","2020-10-21","18:00:00",""
"7043896","19.511","0.002","19.511","0.002","60.34","0.007","90","","90","","90","","22970","4","293","2","293","2","","","","","","","","5","I 41/a m d","-I 4bd 2","141","","","","- C168 H232 Cu6 N28 O50 -","- C96 H64 Cu6 N4 O26 -","- C384 H256 Cu24 N16 O104 -","4","","","Wang, Peng; Chen, Kai; Liu, Qing; Wang, Huai-Wei; Azam, Mohammad; Al-Resayes, Saud I; Lu, Yi; Sun, Wei-Yin","Fine tuning catalytic and sorption properties of metal-organic frameworks via in situ ligand exchange","Dalton Trans.","2017","","","","","10.1039/C7DT02231J","","","0.71073","MoKα","","0.1168","0.0737","","","0.2229","0.2569","","","","","","1.031","","","","has coordinates,has disorder","199484","2020-10-21","18:00:00",""
"7043897","19.525","0.005","19.525","","60.38","0.02","90","","90","","90","","23018","10","293","2","293","2","","","","","","","","5","I 41/a m d","-I 4bd 2","141","","","","- C164 H226 Cu6 N30 O50 -","- C92 H58 Cu6 N6 O26 -","- C368 H232 Cu24 N24 O104 -","4","","","Wang, Peng; Chen, Kai; Liu, Qing; Wang, Huai-Wei; Azam, Mohammad; Al-Resayes, Saud I; Lu, Yi; Sun, Wei-Yin","Fine tuning catalytic and sorption properties of metal-organic frameworks via in situ ligand exchange","Dalton Trans.","2017","","","","","10.1039/C7DT02231J","","","0.71073","MoKα","","0.0983","0.0561","","","0.1542","0.1613","","","","","","1.006","","","","has coordinates,has disorder","199484","2020-10-21","18:00:00",""
"7043898","7.653","0.002","10.785","0.003","13.375","0.004","90.525","0.005","92.108","0.004","104.345","0.005","1068.6","0.5","296","2","296","2","","","","","","","","5","P -1","-P 1","2","","","","- C14 H20 Dy N7 O10 -","- C14 H20 Dy N7 O10 -","- C28 H40 Dy2 N14 O20 -","2","1","","Sun, Lin; Zhang, Sheng; Jiang, Zhijie; Yang, Qi; Chen, Sanping; Zhang, Yiquan; Wang, Wenyuan; Wei, Qing; Xie, Gang","Interchange between coordinated and lattice solvents generates the highest energy barrier within nine-coordinated DyIII single molecule magnets","Dalton Trans.","2017","","","","","10.1039/C7DT02382K","","","0.71073","MoKα","","0.0526","0.0433","","","0.1098","0.1232","","","","","","1.05","","","","has coordinates","199485","2020-10-21","18:00:00",""
"7043899","10.892","0.004","24.65","0.009","9.988","0.003","90","","94.966","0.007","90","","2671.6","1.6","296","2","296","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C16 H24 Dy N7 O10 -","- C16 H24 Dy N7 O10 -","- C64 H96 Dy4 N28 O40 -","4","1","","Sun, Lin; Zhang, Sheng; Jiang, Zhijie; Yang, Qi; Chen, Sanping; Zhang, Yiquan; Wang, Wenyuan; Wei, Qing; Xie, Gang","Interchange between coordinated and lattice solvents generates the highest energy barrier within nine-coordinated DyIII single molecule magnets","Dalton Trans.","2017","","","","","10.1039/C7DT02382K","","","0.71073","MoKα","","0.1928","0.0968","","","0.1925","0.2276","","","","","","1.11","","","","has coordinates,has disorder","199485","2020-10-21","18:00:00",""
"7043900","16.988","0.003","16.988","0.003","15.736","0.003","90","","90","","120","","3932.9","1.2","100","1","100","1","","","","","","","","4","P 63","P 6c","173","","","","- C31.5 H60 N2 Th -","- C24 H42 N2 Th -","- C144 H252 N12 Th6 -","6","1","","Erickson, Karla A.; Kagan, Benjamin D.; Scott, Brian; Morris , David; Kiplinger, Jaqueline","Revisiting the Bis(dimethylamido) Metallocene Complexes of Thorium and Uranium: Improved Syntheses, Structure, Spectroscopy, and Redox Energetics of (C5Me5)2An(NMe2)2 (An = Th, U)","Dalton Trans.","2017","","","","","10.1039/C7DT02373A","","","0.71073","MoKα","","0.0272","0.0224","","","0.0558","0.0574","","","","","","1.037","","","","has coordinates","199487","2020-10-21","18:00:00",""
"7043901","16.866","0.004","16.866","0.004","15.655","0.004","90","","90","","120","","3856.6","1.6","100","1","100","1","","","","","","","","4","P 63","P 6c","173","","","","- C34.5 H54 N2 U -","- C24 H42 N2 U -","- C144 H252 N12 U6 -","6","1","","Erickson, Karla A.; Kagan, Benjamin D.; Scott, Brian; Morris , David; Kiplinger, Jaqueline","Revisiting the Bis(dimethylamido) Metallocene Complexes of Thorium and Uranium: Improved Syntheses, Structure, Spectroscopy, and Redox Energetics of (C5Me5)2An(NMe2)2 (An = Th, U)","Dalton Trans.","2017","","","","","10.1039/C7DT02373A","","","0.71073","MoKα","","0.0241","0.0183","","","0.0371","0.0382","","","","","","1.109","","","","has coordinates","199487","2020-10-21","18:00:00",""
"7043902","10.665","0.002","15.178","0.003","11.98","0.002","90","","90.27","0.008","90","","1939.2","0.6","173","0.1","173","0.1","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C22 H26 N2 O -","- C22 H26 N2 O -","- C88 H104 N8 O4 -","4","2","","Larionov, Stanislav V.; Bryleva, Yuliya; Glinskaya, Ludmila Alexsandrovna; Plyusnin, Victor F.; Kupryakov, Arkady S.; Agafontsev, Alexander; Tkachev, Alexey V.; Bogomyakov, Artem Stepanovich; Piryazev, Dmitry A.; Korolkov, Ilya V.","Ln(III) complexes (Ln = Eu, Gd, Tb, Dy) with chiral ligand containing 1,10-phenanthroline and (‒)-menthol fragments: synthesis, structure, magnetic properties and photoluminescence","Dalton Trans.","2017","","","","","10.1039/C7DT01536D","","","0.71073","MoKα","","0.0614","0.052","","","0.1309","0.1369","","","","","","1.035","","","","has coordinates","199488","2020-10-21","18:00:00",""
"7043903","12.1768","0.0003","12.1768","0.0003","30.2213","0.0017","90","","90","","90","","4481","0.3","173","0.1","173","0.1","","","","","","","","5","P 41 21 2","P 4abw 2nw","92","","","","- C44 H52 N7 O11 Tb -","- C44 H52 N7 O11 Tb -","- C176 H208 N28 O44 Tb4 -","4","0.5","","Larionov, Stanislav V.; Bryleva, Yuliya; Glinskaya, Ludmila Alexsandrovna; Plyusnin, Victor F.; Kupryakov, Arkady S.; Agafontsev, Alexander; Tkachev, Alexey V.; Bogomyakov, Artem Stepanovich; Piryazev, Dmitry A.; Korolkov, Ilya V.","Ln(III) complexes (Ln = Eu, Gd, Tb, Dy) with chiral ligand containing 1,10-phenanthroline and (‒)-menthol fragments: synthesis, structure, magnetic properties and photoluminescence","Dalton Trans.","2017","","","","","10.1039/C7DT01536D","","","0.71073","MoKα","","0.0724","0.0439","","","0.0556","0.0627","","","","","","0.977","","","","has coordinates","199488","2020-10-21","18:00:00",""
"7043904","12.3109","0.0008","19.7364","0.0013","14.8469","0.001","90","","95.708","0.002","90","","3589.5","0.4","100","2","100","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C36 H41 B F11 P -","- C36 H41 B F11 P -","- C144 H164 B4 F44 P4 -","4","1","","Erker, Gerhard; Jian, Zhongbao; Kehr, Gerald; Daniliuc, Constantin Gabriel; Wibbeling, Birgit","Hydroboration route to geminal P/B frustrated Lewis pairs with a bulky secondary phosphane component and their reaction with carbon dioxide","Dalton Trans.","2017","","","","","10.1039/C7DT02315D","","","0.71073","MoKα","","0.0603","0.0441","","","0.0974","0.1048","","","","","","1.034","","","","has coordinates","199489","2020-10-21","18:00:00",""
"7043905","16.5186","0.0004","11.2948","0.0003","17.6854","0.0005","90","","102.234","0.001","90","","3224.71","0.15","100","2","100","2","","","","","","","","8","P 1 21/c 1","-P 2ybc","14","","","","- C33 H27 B F10 N O P S -","- C33 H27 B F10 N O P S -","- C132 H108 B4 F40 N4 O4 P4 S4 -","4","1","","Erker, Gerhard; Jian, Zhongbao; Kehr, Gerald; Daniliuc, Constantin Gabriel; Wibbeling, Birgit","Hydroboration route to geminal P/B frustrated Lewis pairs with a bulky secondary phosphane component and their reaction with carbon dioxide","Dalton Trans.","2017","","","","","10.1039/C7DT02315D","","","1.54178","CuKα","","0.0846","0.0746","","","0.1596","0.1634","","","","","","1.179","","","","has coordinates,has disorder","199489","2020-10-21","18:00:00",""
"7043906","12.3185","0.0002","19.8134","0.0004","14.6806","0.0003","90","","95.344","0.001","90","","3567.54","0.12","100","2","100","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C36 H42 B F10 P -","- C36 H42 B F10 P -","- C144 H168 B4 F40 P4 -","4","1","","Erker, Gerhard; Jian, Zhongbao; Kehr, Gerald; Daniliuc, Constantin Gabriel; Wibbeling, Birgit","Hydroboration route to geminal P/B frustrated Lewis pairs with a bulky secondary phosphane component and their reaction with carbon dioxide","Dalton Trans.","2017","","","","","10.1039/C7DT02315D","","","1.54178","CuKα","","0.0367","0.0333","","","0.0846","0.0868","","","","","","1.049","","","","has coordinates","199489","2020-10-21","18:00:00",""
"7043907","11.2145","0.0003","12.6515","0.0003","12.8136","0.0004","71.165","0.001","71.628","0.001","81.508","0.001","1630.81","0.08","100","2","100","2","","","","","","","","7","P -1","-P 1","2","","","","- C34.5 H28 B Cl F10 N P -","- C34.5 H28 B Cl F10 N P -","- C69 H56 B2 Cl2 F20 N2 P2 -","2","1","","Erker, Gerhard; Jian, Zhongbao; Kehr, Gerald; Daniliuc, Constantin Gabriel; Wibbeling, Birgit","Hydroboration route to geminal P/B frustrated Lewis pairs with a bulky secondary phosphane component and their reaction with carbon dioxide","Dalton Trans.","2017","","","","","10.1039/C7DT02315D","","","1.54178","CuKα","","0.0453","0.0376","","","0.0947","0.0987","","","","","","1.044","","","","has coordinates,has disorder","199489","2020-10-21","18:00:00",""
"7043908","15.8307","0.0004","16.0409","0.0005","24.4074","0.0008","90","","93.073","0.003","90","","6189.1","0.3","173","2","173","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C55 H44 B2 F20 O2 P2 -","- C55 H44 B2 F20 O2 P2 -","- C220 H176 B8 F80 O8 P8 -","4","1","","Erker, Gerhard; Jian, Zhongbao; Kehr, Gerald; Daniliuc, Constantin Gabriel; Wibbeling, Birgit","Hydroboration route to geminal P/B frustrated Lewis pairs with a bulky secondary phosphane component and their reaction with carbon dioxide","Dalton Trans.","2017","","","","","10.1039/C7DT02315D","","","0.71073","MoKα","","0.1577","0.0899","","","0.1843","0.2112","","","","","","1.028","","","","has coordinates","199489","2020-10-21","18:00:00",""
"7043909","11.1681","0.0004","11.2709","0.0004","19.6602","0.0008","76.834","0.002","75.265","0.002","84.21","0.002","2328","0.15","100","2","100","2","","","","","","","","7","P -1","-P 1","2","","","","- C49.5 H55 B Cl F10 O P -","- C49.5 H55 B Cl F10 O P -","- C99 H110 B2 Cl2 F20 O2 P2 -","2","1","","Erker, Gerhard; Jian, Zhongbao; Kehr, Gerald; Daniliuc, Constantin Gabriel; Wibbeling, Birgit","Hydroboration route to geminal P/B frustrated Lewis pairs with a bulky secondary phosphane component and their reaction with carbon dioxide","Dalton Trans.","2017","","","","","10.1039/C7DT02315D","","","1.54178","CuKα","","0.0735","0.0541","","","0.1415","0.1521","","","","","","1.056","","","","has coordinates,has disorder","199489","2020-10-21","18:00:00",""
"7043910","11.3099","0.0006","16.9914","0.0009","19.1256","0.0009","87.067","0.002","89.422","0.002","85.654","0.002","3659.9","0.3","100","2","100","2","","","","","","","","6","P -1","-P 1","2","","","","- C40 H36 B F10 O P -","- C40 H36 B F10 O P -","- C160 H144 B4 F40 O4 P4 -","4","2","","Erker, Gerhard; Jian, Zhongbao; Kehr, Gerald; Daniliuc, Constantin Gabriel; Wibbeling, Birgit","Hydroboration route to geminal P/B frustrated Lewis pairs with a bulky secondary phosphane component and their reaction with carbon dioxide","Dalton Trans.","2017","","","","","10.1039/C7DT02315D","","","0.71073","MoKα","","0.1087","0.0539","","","0.0911","0.1066","","","","","","1.022","","","","has coordinates","199489","2020-10-21","18:00:00",""
"7043911","13.6152","0.0005","14.7429","0.0005","22.6757","0.0007","102.46","0.002","90.487","0.002","117.418","0.002","3914.5","0.2","100","2","100","2","","","","","","","","6","P -1","-P 1","2","","","","- C73 H80 B2 F20 O2 P2 -","- C73 H80 B2 F20 O2 P2 -","- C146 H160 B4 F40 O4 P4 -","2","1","","Erker, Gerhard; Jian, Zhongbao; Kehr, Gerald; Daniliuc, Constantin Gabriel; Wibbeling, Birgit","Hydroboration route to geminal P/B frustrated Lewis pairs with a bulky secondary phosphane component and their reaction with carbon dioxide","Dalton Trans.","2017","","","","","10.1039/C7DT02315D","","","1.54178","CuKα","","0.1497","0.1023","","","0.2086","0.2287","","","","","","1.084","","","","has coordinates,has disorder","199489","2020-10-21","18:00:00",""
"7043912","25.031","0.002","12.0655","0.0013","24.693","0.002","90","","116.48","0.002","90","","6675.2","1.1","100","2","100","2","","","","","","","","8","P 1 21/c 1","-P 2ybc","14","","","","- C34.5 H28 B Cl F10 N P S -","- C34.5 H28 B Cl F10 N P S -","- C276 H224 B8 Cl8 F80 N8 P8 S8 -","8","2","","Erker, Gerhard; Jian, Zhongbao; Kehr, Gerald; Daniliuc, Constantin Gabriel; Wibbeling, Birgit","Hydroboration route to geminal P/B frustrated Lewis pairs with a bulky secondary phosphane component and their reaction with carbon dioxide","Dalton Trans.","2017","","","","","10.1039/C7DT02315D","","","0.71073","MoKα","","0.1014","0.0726","","","0.1664","0.1801","","","","","","1.091","","","","has coordinates,has disorder","199489","2020-10-21","18:00:00",""
"7043913","9.825","0.002","9.851","0.002","19.935","0.005","88.975","0.004","86.6","0.004","70.447","0.004","1815","0.7","100","2","100","2","","","","","","","","7","P -1","-P 1","2","","1","","- C27 H53 I2 N3 O2 Si3 Zn -","- C27 H53 I2 N3 O2 Si3 Zn -","- C54 H106 I4 N6 O4 Si6 Zn2 -","2","1","","Yadav, Sandeep; Sangtani, Ekta; Dhawan, Diksha; Gonnade, Rajesh G.; Ghosh, Debashree; Sen, Sakya Singha","Unprecedented solvent induced inter-conversion between monomeric and dimeric silylene-zinc iodide adducts","Dalton Trans.","2017","","","","","10.1039/C7DT01823A","","","0.71073","MoKα","","0.1613","0.0625","","","0.0973","0.1278","","","","","","1.006","","","","has coordinates","199490","2020-10-21","18:00:00",""
"7043914","11.0979","0.0004","15.3333","0.0006","17.7409","0.0007","90","","91.11","0.001","90","","3018.4","0.2","100","2","100","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C42 H82 I4 N6 Si6 Zn2 -","- C42 H82 I4 N6 Si6 Zn2 -","- C84 H164 I8 N12 Si12 Zn4 -","2","0.5","","Yadav, Sandeep; Sangtani, Ekta; Dhawan, Diksha; Gonnade, Rajesh G.; Ghosh, Debashree; Sen, Sakya Singha","Unprecedented solvent induced inter-conversion between monomeric and dimeric silylene-zinc iodide adducts","Dalton Trans.","2017","","","","","10.1039/C7DT01823A","","","0.71073","MoKα","","0.014","0.0136","","","0.0323","0.0325","","","","","","1.106","","","","has coordinates","199490","2020-10-21","18:00:00",""
"7043915","12.7225","0.0006","15.115","0.0006","17.1761","0.0007","85.831","0.003","68.352","0.004","71.152","0.004","2901.3","0.2","100","2","100.15","","","","","","","","","7","P -1","-P 1","2","Me-benz-Cu(II) complex","","","- C23 H21 Cu F6 N5 O8 S2 -","- C23 H21 Cu F6 N5 O8 S2 -","- C92 H84 Cu4 F24 N20 O32 S8 -","4","2","","Duraiyarasu, Maheshwaran; Selvaraj, Priyanga; Ramasamy, Mayilmurugan","Copper(II)-Benzimidazole Complexes as an Efficient Fluorescent Probe for L-Cysteine in Water","Dalton Trans.","2017","","","","","10.1039/C7DT01895A","","","1.54184","CuKα","","0.0936","0.0841","","","0.2377","0.2493","","","","","","1.043","","","","has coordinates","199505","2020-10-21","18:00:00",""
"7043916","18.206","0.002","14.737","0.0017","6.7877","0.0008","90","","90.123","0.001","90","","1821.1","0.4","298","2","298","2","","","","","","","","5","C 1 c 1","C -2yc","9","","","","- C22 H21 Co N2 O3 -","- C22 H21 Co N2 O3 -","- C88 H84 Co4 N8 O12 -","4","1","","Hazra, Susanta; Martins, Nuno M. R.; Kuznetsov, Maxim L.; Guedes da Silva, M. Fátima C.; Pombeiro, Armando J. L.","Flexibility and lability of a phenyl ligand in hetero-organometallic 3d metal-Sn(IV) compounds and their catalytic activity in Baeyer‒Villiger oxidation of cyclohexanone","Dalton Trans.","2017","","","","","10.1039/C7DT02534C","","","0.71073","MoKα","","0.0707","0.0471","","","0.0846","0.092","","","","","","1.101","","","","has coordinates,has disorder","199506","2020-10-21","18:00:00",""
"7043917","11.2255","0.0007","15.7117","0.001","15.667","0.0009","90","","94.998","0.002","90","","2752.7","0.3","298","2","298","2","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C28 H24 Cl2 Cu N2 O2 Sn -","- C28 H24 Cl2 Cu N2 O2 Sn -","- C112 H96 Cl8 Cu4 N8 O8 Sn4 -","4","1","","Hazra, Susanta; Martins, Nuno M. R.; Kuznetsov, Maxim L.; Guedes da Silva, M. Fátima C.; Pombeiro, Armando J. L.","Flexibility and lability of a phenyl ligand in hetero-organometallic 3d metal-Sn(IV) compounds and their catalytic activity in Baeyer‒Villiger oxidation of cyclohexanone","Dalton Trans.","2017","","","","","10.1039/C7DT02534C","","","0.71073","MoKα","","0.036","0.0239","","","0.0511","0.0558","","","","","","1.027","","","","has coordinates,has disorder","199506","2020-10-21","18:00:00",""
"7043918","11.1756","0.0006","15.6737","0.0009","15.648","0.0008","90","","95.011","0.002","90","","2730.5","0.3","298","2","298","2","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C28 H24 Cl2 N2 Ni O2 Sn -","- C28 H24 Cl2 N2 Ni O2 Sn -","- C112 H96 Cl8 N8 Ni4 O8 Sn4 -","4","1","","Hazra, Susanta; Martins, Nuno M. R.; Kuznetsov, Maxim L.; Guedes da Silva, M. Fátima C.; Pombeiro, Armando J. L.","Flexibility and lability of a phenyl ligand in hetero-organometallic 3d metal-Sn(IV) compounds and their catalytic activity in Baeyer‒Villiger oxidation of cyclohexanone","Dalton Trans.","2017","","","","","10.1039/C7DT02534C","","","0.71073","MoKα","","0.0327","0.0235","","","0.0519","0.0572","","","","","","1.048","","","","has coordinates,has disorder","199506","2020-10-21","18:00:00",""
"7043919","16.5737","0.0009","17.3918","0.0009","19.3984","0.001","90","","90","","90","","5591.5","0.5","298","2","298","2","","","","","","","","7","P b c a","-P 2ac 2ab","61","","","","- C29 H27 Cl2 Co N2 O3 Sn -","- C29 H27 Cl2 Co N2 O3 Sn -","- C232 H216 Cl16 Co8 N16 O24 Sn8 -","8","1","","Hazra, Susanta; Martins, Nuno M. R.; Kuznetsov, Maxim L.; Guedes da Silva, M. Fátima C.; Pombeiro, Armando J. L.","Flexibility and lability of a phenyl ligand in hetero-organometallic 3d metal-Sn(IV) compounds and their catalytic activity in Baeyer‒Villiger oxidation of cyclohexanone","Dalton Trans.","2017","","","","","10.1039/C7DT02534C","","","0.71073","MoKα","","0.0818","0.0362","","","0.0563","0.0664","","","","","","1.045","","","","has coordinates","199506","2020-10-21","18:00:00",""
"7043920","14.2093","0.0009","18.2151","0.0011","18.78","0.0011","67.984","0.002","86.202","0.002","69.653","0.002","4213.6","0.5","120","","120","","","","","","","","","8","P -1","-P 1","2","","","","- C77 H71 Cl6 F5 Ir N5 O6 S2 -","- C75.5 H68 Cl3 F5 Ir N5 O6 S2 -","- C151 H136 Cl6 F10 Ir2 N10 O12 S4 -","2","1","","Benjamin, Helen; Fox, Mark A.; Batsanov, Andrei S.; Al-Attar, Hameed A.; Li, Chensen; Ren, Zhongjie; Monkman, Andrew P.; Bryce, Martin R.","Pyridylpyrazole N^N ligands combined with sulfonyl-functionalised cyclometalating ligands for blue-emitting iridium(iii) complexes and solution-processable PhOLEDs","Dalton Trans.","2017","","","","","10.1039/C7DT02289A","","x-ray","0.71073","MoKα","","0.0954","0.0686","","","0.1776","0.2012","","","","","","1.045","","","","has coordinates,has disorder","199541","2020-10-21","18:00:00",""
"7043921","18.5945","0.0004","18.5945","0.0004","38.5773","0.0009","90","","90","","120","","11551.3","0.4","293","2","293","2","","","","","","","","5","R -3 m :H","-R 3 2""","166","","","","- C39 H48 Cu2 N4 O15 -","- C28 H13 Cu2 O10 -","- C252 H117 Cu18 O90 -","9","0.25","","Chen, Fengli; Bai, Dongjie; Jiang, Donghao; Wang, Yao; He, Yabing","A Comparative Study of C2H2 Adsorption Properties in Five Isomeric Copper-Based MOFs Based on Naphthalene-Derived Diisophthalates","Dalton Trans.","2017","","","","","10.1039/C7DT02290E","","","1.54184","CuKα","","0.0724","0.0695","","","0.2158","0.2191","","","","","","1.006","","","","has coordinates","199629","2020-10-21","18:00:00",""
"7043922","18.5628","0.0012","18.5628","0.0012","39.707","0.002","90","","90","","120","","11849.1","1.2","296","2","296","2","","","","","","","","5","R -3 m :H","-R 3 2""","166","","","","- C44 H58 Cu2 N6 O16 -","- C26 H12 Cu2 O10 -","- C234 H108 Cu18 O90 -","9","0.25","","Chen, Fengli; Bai, Dongjie; Jiang, Donghao; Wang, Yao; He, Yabing","A Comparative Study of C2H2 Adsorption Properties in Five Isomeric Copper-Based MOFs Based on Naphthalene-Derived Diisophthalates","Dalton Trans.","2017","","","","","10.1039/C7DT02290E","","","0.71073","MoKα","","0.1075","0.0756","","","0.2082","0.2271","","","","","","1.09","","","","has coordinates,has disorder","199629","2020-10-21","18:00:00",""
"7043923","18.315","0.0007","18.315","0.0007","26.7665","0.0014","90","","90","","120","","7775.6","0.6","293","2","293","2","","","","","","","","5","P 63/m m c","-P 6c 2c","194","","","","- C38 H48 Cu2 N4 O16 -","- C26 H12 Cu2 O10 -","- C156 H72 Cu12 O60 -","6","0.25","","Chen, Fengli; Bai, Dongjie; Jiang, Donghao; Wang, Yao; He, Yabing","A Comparative Study of C2H2 Adsorption Properties in Five Isomeric Copper-Based MOFs Based on Naphthalene-Derived Diisophthalates","Dalton Trans.","2017","","","","","10.1039/C7DT02290E","","","1.54184","CuKα","","0.1969","0.1205","","","0.3686","0.4127","","","","","","1.103","","","","has coordinates","199629","2020-10-21","18:00:00",""
"7043924","18.6937","0.0006","18.6937","0.0006","23.5643","0.0014","90","","90","","120","","7131.4","0.5","293","2","293","2","","","","","","","","5","P 63/m m c","-P 6c 2c","194","","","","- C38 H46 Cu2 N4 O15 -","- C26 H11 Cu2 O10 -","- C156 H66 Cu12 O60 -","6","0.25","","Chen, Fengli; Bai, Dongjie; Jiang, Donghao; Wang, Yao; He, Yabing","A Comparative Study of C2H2 Adsorption Properties in Five Isomeric Copper-Based MOFs Based on Naphthalene-Derived Diisophthalates","Dalton Trans.","2017","","","","","10.1039/C7DT02290E","","","0.71073","MoKα","","0.1153","0.0602","","","0.1749","0.1971","","","","","","1.059","","","","has coordinates","199629","2020-10-21","18:00:00",""
"7043925","10.7014","0.0003","11.1489","0.0004","11.3358","0.0006","84.683","0.002","65.943","0.002","63.957","0.002","1103.44","0.08","150","2","150","2","","","","","","","","6","P -1","-P 1","2","","","","- C23 H18 N2 O7 Pb S2 -","- C23 H18 N2 O7 Pb S2 -","- C46 H36 N4 O14 Pb2 S4 -","2","1","","Harrowfield, Jack; Thuéry, Pierre","Lead(II): Lewis acid and occasional base, as illustrated by its complex with 1,5-naphthalenedisulfonate and 5-methyl-1,10-phenanthroline","Dalton Trans.","2017","","","","","10.1039/C7DT01975K","","","0.71073","MoKα","","0.0498","0.0357","","","0.079","0.0819","","","","","","1.064","","","","has coordinates","199630","2020-10-21","18:00:00",""
"7043926","9.5082","0.0002","9.8579","0.0002","9.9671","0.0002","74.11","0.001","67.878","0.001","88.438","0.001","829.36","0.03","150","2","150","2","","","","","","","","4","P -1","-P 1","2","","","","- H32 I8 O18 W6 -","- I8 O18 W6 -","- I8 O18 W6 -","1","0.5","","Evtushok, Darya V.; Melnikov, Anatoly; Vorotnikova, Natalya A.; Vorotnikov, Yuri A.; Ryadun, Alexey A.; Kuratieva, Natalia; Kozyr, Konstantin V.; Obedinskaya, Natalia R.; Kretov, Evgeniy I.; Novozhilov, Igor; Mironov, Yuri V.; Stass, Dmitri; Efremova, Olga A.; Shestopalov, Michael A.","Comparative Study of Optical Properties and X-ray Induced Luminescence of Octahedral Molybdenum and Tungsten Cluster Complexes","Dalton Trans.","2017","","","","","10.1039/C7DT01919J","","x-ray","0.71073","MoKα","","0.0245","0.0229","","","0.0575","0.0582","","","","","","1.079","","","","has coordinates,has disorder","199631","2020-10-21","18:00:00",""
"7043927","14.4535","0.0006","11.3287","0.0004","21.6572","0.0007","90","","95.633","0.001","90","","3529","0.2","150","2","150","2","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C33 H74 Cl2 I8 N8 O18 W6 -","- C33 H74 Cl2 I8 N8 O18 W6 -","- C66 H148 Cl4 I16 N16 O36 W12 -","2","0.5","","Evtushok, Darya V.; Melnikov, Anatoly; Vorotnikova, Natalya A.; Vorotnikov, Yuri A.; Ryadun, Alexey A.; Kuratieva, Natalia; Kozyr, Konstantin V.; Obedinskaya, Natalia R.; Kretov, Evgeniy I.; Novozhilov, Igor; Mironov, Yuri V.; Stass, Dmitri; Efremova, Olga A.; Shestopalov, Michael A.","Comparative Study of Optical Properties and X-ray Induced Luminescence of Octahedral Molybdenum and Tungsten Cluster Complexes","Dalton Trans.","2017","","","","","10.1039/C7DT01919J","","x-ray","0.71073","MoKα","","0.0399","0.031","","","0.076","0.0801","","","","","","1.034","","","","has coordinates,has disorder","199631","2020-10-21","18:00:00",""
"7043928","13.4118","0.0015","16.21","0.0018","27.147","0.003","89.271","0.003","79.227","0.003","77.959","0.003","5668.2","1.1","150","2","150","2","","","","","","","","7","P -1","-P 1","2","","","","- C83 H135 I8 N2 O20.5 S6 W6 -","- C83 H134.997 I8 N2 O20.5 S6 W6 -","- C166 H269.994 I16 N4 O41 S12 W12 -","2","1","","Evtushok, Darya V.; Melnikov, Anatoly; Vorotnikova, Natalya A.; Vorotnikov, Yuri A.; Ryadun, Alexey A.; Kuratieva, Natalia; Kozyr, Konstantin V.; Obedinskaya, Natalia R.; Kretov, Evgeniy I.; Novozhilov, Igor; Mironov, Yuri V.; Stass, Dmitri; Efremova, Olga A.; Shestopalov, Michael A.","Comparative Study of Optical Properties and X-ray Induced Luminescence of Octahedral Molybdenum and Tungsten Cluster Complexes","Dalton Trans.","2017","","","","","10.1039/C7DT01919J","","x-ray","0.71073","MoKα","","0.0505","0.0381","","","0.0891","0.0943","","","","","","1.063","","","","has coordinates,has disorder","199631","2020-10-21","18:00:00",""
"7043929","11.415","0.005","13.771","0.005","13.822","0.005","64.436","0.005","84.222","0.005","81.314","0.005","1936","1.3","293","2","293","2","","","","","","","","6","P -1","-P 1","2","","","","- C39 H26 Cr N6 O12 Zn -","- C41 H26 Cr N6 O12 Zn -","- C82 H52 Cr2 N12 O24 Zn2 -","2","1","","Androš Dubraja, Lidija; Juric, Marijana; Torić, Filip; Pajić, Damir","Influence of the metal centres on the exchange interaction in heterometallic complexes with oxalate-bridged cations","Dalton Trans.","2017","","","","","10.1039/C7DT02522J","","x-ray","1.54179","CuKα","","0.0606","0.0576","","","0.1699","0.1776","","","","","","1.021","","","","has coordinates","199632","2020-10-21","18:00:00",""
"7043930","11.339","0.005","13.768","0.005","13.798","0.005","64.836","0.005","81.609","0.005","84.421","0.005","1927.3","1.3","293","2","293","2","","","","","","","","6","P -1","-P 1","2","","","","- C41 H26 Cr Cu N6 O12 -","- C41 H26 Cr Cu N6 O12 -","- C82 H52 Cr2 Cu2 N12 O24 -","2","1","","Androš Dubraja, Lidija; Juric, Marijana; Torić, Filip; Pajić, Damir","Influence of the metal centres on the exchange interaction in heterometallic complexes with oxalate-bridged cations","Dalton Trans.","2017","","","","","10.1039/C7DT02522J","","x-ray","1.54179","CuKα","","0.0596","0.0463","","","0.1257","0.1423","","","","","","1.052","","","","has coordinates,has disorder","199632","2020-10-21","18:00:00",""
"7043931","11.3378","0.0004","13.7438","0.0004","13.8506","0.0004","64.43","0.003","84.629","0.003","81.736","0.003","1925.46","0.12","293","2","293","2","","","","","","","","6","P -1","-P 1","2","","","","- C41 H26 Co Cr N6 O12 -","- C41 H27.4 Co Cr N6 O12 -","- C82 H54.8 Co2 Cr2 N12 O24 -","2","1","","Androš Dubraja, Lidija; Juric, Marijana; Torić, Filip; Pajić, Damir","Influence of the metal centres on the exchange interaction in heterometallic complexes with oxalate-bridged cations","Dalton Trans.","2017","","","","","10.1039/C7DT02522J","","x-ray","1.54179","CuKα","","0.0648","0.0473","","","0.1201","0.1313","","","","","","1.031","","","","has coordinates,has disorder","199632","2020-10-21","18:00:00",""
"7043932","11.287","0.011","13.653","0.015","13.802","0.016","64.14","0.04","81.66","0.06","84.27","0.04","1892","4","100","2","100","2","","","","","","","","6","P -1","-P 1","2","","","","- C41 H26 Cr Mn N6 O12 -","- C41 H26 Cr Mn N6 O12 -","- C82 H52 Cr2 Mn2 N12 O24 -","2","1","","Androš Dubraja, Lidija; Juric, Marijana; Torić, Filip; Pajić, Damir","Influence of the metal centres on the exchange interaction in heterometallic complexes with oxalate-bridged cations","Dalton Trans.","2017","","","","","10.1039/C7DT02522J","","x-ray","0.71073","MoKα","","0.1116","0.0745","","","0.1819","0.2105","","","","","","1.077","","","","has coordinates","199632","2020-10-21","18:00:00",""
"7043933","18.168","0.004","10.156","0.002","20.551","0.005","90","","94.693","0.003","90","","3779.2","1.4","123","2","123","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C41.5 H30 Cl F9 Ir N3 -","- C41.5 H30 Cl F9 Ir N3 -","- C166 H120 Cl4 F36 Ir4 N12 -","4","1","","Maity, Ayan; Kölsch, Jonas; Na, Hanah; Teets, Thomas S.","Room temperature transmetallation from tris(pentafluorophenyl)borane to cyclometallated iridium(III)","Dalton Trans.","2017","","","","","10.1039/C7DT02540H","","","0.71073","MoKα","","0.0321","0.0291","","","0.0763","0.078","","","","","","1.048","","","","has coordinates,has disorder","199656","2020-10-21","18:00:00",""
"7043934","19.6492","0.0018","18.2345","0.0016","21.09","0.0019","90","","90","","90","","7556.4","1.2","123","2","123","2","","","","","","","","6","P b c a","-P 2ac 2ab","61","","","","- C45 H33 F5 Ir N3 S2 -","- C45 H33 F5 Ir N3 S2 -","- C360 H264 F40 Ir8 N24 S16 -","8","1","","Maity, Ayan; Kölsch, Jonas; Na, Hanah; Teets, Thomas S.","Room temperature transmetallation from tris(pentafluorophenyl)borane to cyclometallated iridium(III)","Dalton Trans.","2017","","","","","10.1039/C7DT02540H","","","0.71073","MoKα","","0.0605","0.0532","","","0.1116","0.114","","","","","","1.222","","","","has coordinates","199656","2020-10-21","18:00:00",""
"7043935","12.213","0.004","12.217","0.004","13.801","0.005","92.12","0.004","101.748","0.004","95.488","0.005","2003.4","1.2","123","2","123","2","","","","","","","","7","P -1","-P 1","2","","","","- C39 H38 Cl2 F10 Ir N3 P -","- C39 H38 Cl2 F10 Ir N3 P -","- C78 H76 Cl4 F20 Ir2 N6 P2 -","2","1","","Maity, Ayan; Kölsch, Jonas; Na, Hanah; Teets, Thomas S.","Room temperature transmetallation from tris(pentafluorophenyl)borane to cyclometallated iridium(III)","Dalton Trans.","2017","","","","","10.1039/C7DT02540H","","","0.71073","MoKα","","0.0321","0.0296","","","0.075","0.0762","","","","","","1.087","","","","has coordinates,has disorder","199656","2020-10-21","18:00:00",""
"7043936","29.3668","0.0008","29.3668","0.0008","11.784","0.0005","90","","90","","90","","10162.6","0.6","293","2","293","2","","","","","","","","7","P -4 21 c","P -4 2n","114","","","","- C41 H66.8 Mn N3 O3.4 S Si2 -","- C41 H66.8 Mn N3 O3.4 S Si2 -","- C328 H534.4 Mn8 N24 O27.2 S8 Si16 -","8","1","","Sova, Sergiu; Vlad, Angelica; Cazacu, Maria; Krzystek, Jurek; Bucinsky, Lukas; Breza, Martin; Darvasiova, Denisa; Rapta, P.; Cano, Joan; Telser, Joshua; Arion, Vladimir","A five-coordinate manganese(III) complex of a salen type ligand with a positive axial anisotropy parameter D","Dalton Trans.","2017","","","","","10.1039/C7DT01809F","","x-ray","0.71073","MoKα","","0.1013","0.0683","","","0.1445","0.1671","","","","","","1.034","","","","has coordinates,has disorder","199657","2020-10-21","18:00:00",""
"7043937","11.9601","0.0003","12.4291","0.0003","13.7982","0.0003","90","","90","","90","","2051.15","0.08","180","2","180","2","","","","","","","synthesis as described","5","P 21 21 21","P 2ac 2ab","19","","trichloro[(S)-3-(2-(3,5-dimethyl-1H-pyrazol-1-yl)ethyl)-1-(1-phenylethyl)-1H-imidazol-3-ium-κ1N]palladium(II)","","- C18 H23 Cl3 N4 Pd -","- C18 H23 Cl3 N4 Pd -","- C72 H92 Cl12 N16 Pd4 -","4","1","","Gómez-Villarraga, Fernando; De Tovar, Jonathan; Guerrero, Miguel; Nolis, Pau; Parella, Teodor; Lecante, Pierre; Romero, Nuria; Escriche, Lluís; Bofill, Roger; Ros, Josep; SALA, XAVIER; Philippot, Karine; García-Antón, Jordi","Dissimilar Catalytic Behavior of Molecular or Colloidal Palladium Systems with a New NHC Ligand","Dalton Trans.","2017","","","","","10.1039/C7DT02729J","","","0.71073","MoKα","","0.0308","0.0239","","","0.0467","0.0492","","","","","","1.016","","","","has coordinates","199658","2020-10-21","18:00:00",""
"7043938","20.3555","0.0014","9.5582","0.0006","19.5813","0.0012","90","","90","","90","","3809.8","0.4","90","","90","","","","","","","","","5","P n a 21","P 2c -2n","33","","","","- C42 H48 Ag Br P2 -","- C42 H48 Ag Br P2 -","- C168 H192 Ag4 Br4 P8 -","4","1","","Osawa, Masahisa; Hashimoto, Masashi; Kawata, Isao; Hoshino, Mikio","Photoluminescence properties of TADF-emitting three-coordinate silver(I) halide complexes with diphosphine ligands: a comparison study with copper(I) complexes","Dalton Trans.","2017","","","","","10.1039/C7DT02460F","","","0.71073","MoKα","","0.026","0.0222","","","0.0395","0.0412","","","","","","0.902","","","","has coordinates","199689","2020-10-21","18:00:00",""
"7043939","13.6283","0.0014","14.8803","0.0015","16.1037","0.0017","102.969","0.002","95.674","0.001","107.632","0.002","2983.6","0.5","90","","90","","","","","","","","","5","P -1","-P 1","2","","","","- C68 H64 Ag2 Br2 P4 -","- C68 H64 Ag2 Br2 P4 -","- C136 H128 Ag4 Br4 P8 -","2","1","","Osawa, Masahisa; Hashimoto, Masashi; Kawata, Isao; Hoshino, Mikio","Photoluminescence properties of TADF-emitting three-coordinate silver(I) halide complexes with diphosphine ligands: a comparison study with copper(I) complexes","Dalton Trans.","2017","","","","","10.1039/C7DT02460F","","","0.71073","MoKα","","0.0393","0.0345","","","0.0868","0.091","","","","","","0.88","","","","has coordinates","199689","2020-10-21","18:00:00",""
"7043940","10.48","0.001","11.6374","0.0009","15.214","0.0016","80.148","0.006","87.232","0.006","64.089","0.004","1643.6","0.3","90","","90","","","","","","","","","5","P -1","-P 1","2","","","","- C38 H40 Ag Br P2 -","- C38 H40 Ag Br P2 -","- C76 H80 Ag2 Br2 P4 -","2","1","","Osawa, Masahisa; Hashimoto, Masashi; Kawata, Isao; Hoshino, Mikio","Photoluminescence properties of TADF-emitting three-coordinate silver(I) halide complexes with diphosphine ligands: a comparison study with copper(I) complexes","Dalton Trans.","2017","","","","","10.1039/C7DT02460F","","","0.71073","MoKα","","0.0389","0.0284","","","0.0725","0.0775","","","","","","1.051","","","","has coordinates","199689","2020-10-21","18:00:00",""
"7043941","15.4896","0.0005","18.1048","0.0005","24.9836","0.0008","90","","90","","90","","7006.3","0.4","296","2","296","2","","","","","","","","6","P b c a","-P 2ac 2ab","61","cothio","","","- C36 H34 Co N6 O9 S -","- C36 H34 Co N6 O9 S -","- C288 H272 Co8 N48 O72 S8 -","8","1","","Mandal, Sukhendu; Rao, Purnachandra; chaudhary, Sonu Pratap; Arjun, U.; Kuznetsov, Denis; Nath, Ramesh Chandra","Magnetic Diversity in Three-dimensional 2-Fold Interpenetrated Structure: Story of Two Compounds","Dalton Trans.","2017","","","","","10.1039/C7DT02004J","","","0.71073","MoKα","","0.0858","0.0431","","","0.0971","0.1201","","","","","","0.915","","","","has coordinates","199690","2020-10-21","18:00:00",""
"7043942","10.1996","0.0003","14.8778","0.0005","24.9089","0.0007","90.763","0.001","93.289","0.001","99.624","0.002","3719.5","0.2","293","2","293","2","","","","","","","","5","P -1","-P 1","2","Nickel","","","- C76 H71 N12 Ni2 O18 -","- C76 H71 N12 Ni2 O18 -","- C152 H142 N24 Ni4 O36 -","2","1","","Mandal, Sukhendu; Rao, Purnachandra; chaudhary, Sonu Pratap; Arjun, U.; Kuznetsov, Denis; Nath, Ramesh Chandra","Magnetic Diversity in Three-dimensional 2-Fold Interpenetrated Structure: Story of Two Compounds","Dalton Trans.","2017","","","","","10.1039/C7DT02004J","","","0.71073","MoKα","","0.1776","0.0554","","","0.116","0.1613","","","","","","0.799","","","","has coordinates","199690","2020-10-21","18:00:00",""
"7043943","12.448","0.002","13.3","0.002","19.898","0.003","83.232","0.005","80.779","0.005","64.931","0.005","2940.8","0.8","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","Fe(bis-phosphoranimide)","","- C49.5 H111.5 Fe2 N4 P4 -","- C49.5 H111.5 Fe2 N4 P4 -","- C99 H223 Fe4 N8 P8 -","2","1","","Bai, Tao; Janes, Trevor; Song, Datong","Homoleptic Iron(II) and Cobalt(II) Bis (phosphoranimide) Complexes for Selective Hydrofunctionalization of Unsaturated Molecules","Dalton Trans.","2017","","","","","10.1039/C7DT02427D","","","0.71073","MoKα","","0.0836","0.0622","","","0.1601","0.1834","","","","","","1.035","","","","has coordinates,has disorder","199691","2020-10-21","18:00:00",""
"7043944","24.103","0.001","22.7743","0.001","22.3132","0.0009","90","","90","","90","","12248.4","0.9","100","2","100","2","","","","","","","","5","P n a 21","P 2c -2n","33","","","","- C53 H120 Co2 N4 P4 -","- C53 H120 Co2 N4 P4 -","- C424 H960 Co16 N32 P32 -","8","2","","Bai, Tao; Janes, Trevor; Song, Datong","Homoleptic Iron(II) and Cobalt(II) Bis (phosphoranimide) Complexes for Selective Hydrofunctionalization of Unsaturated Molecules","Dalton Trans.","2017","","","","","10.1039/C7DT02427D","","","0.71073","MoKα","","0.0608","0.0488","","","0.1117","0.12","","","","","","1.019","","","","has coordinates,has disorder","199691","2020-10-21","18:00:00",""
"7043945","20.342","0.005","10.374","0.005","19.448","0.005","90","","100.891","0.005","90","","4030","2","293","2","293","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C38 H39 Cu2 Ho N8 O13 -","- C38 H39 Cu2 Ho N8 O13 -","- C152 H156 Cu8 Ho4 N32 O52 -","4","0.5","","Mahapatra, Prithwish; Ghosh, Soumavo; Koizumi, Naoki; Kanetomo, Takuya; Ishida, Takayuki; Drew, Michael G.B; Ghosh, Ashutosh","Structural Variations in (CuL)2Ln Complexes of a Series of Lanthanide Ions with Salen-Type Unsymmetrical Schiff Base(H2L): The Dy and Tb Derivatives as Potential Single-Molecule Magnets","Dalton Trans.","2017","","","","","10.1039/C7DT02061A","","","0.71073","MoKα","","0.0621","0.048","","","0.1132","0.1258","","","","","","1.113","","","","has coordinates,has disorder","199711","2020-10-21","18:00:00",""
"7043946","17.317","0.005","17.317","0.005","30.722","0.005","90","","90","","90","","9213","4","293","2","293","2","","","","","","","","6","I 41/a","-I 4ad","88","","","","- C40 H42 Cu2 Dy N9 O13 -","- C40 H42 Cu2 Dy N9 O13 -","- C320 H336 Cu16 Dy8 N72 O104 -","8","","","Mahapatra, Prithwish; Ghosh, Soumavo; Koizumi, Naoki; Kanetomo, Takuya; Ishida, Takayuki; Drew, Michael G.B; Ghosh, Ashutosh","Structural Variations in (CuL)2Ln Complexes of a Series of Lanthanide Ions with Salen-Type Unsymmetrical Schiff Base(H2L): The Dy and Tb Derivatives as Potential Single-Molecule Magnets","Dalton Trans.","2017","","","","","10.1039/C7DT02061A","","","0.71073","MoKα","","0.0987","0.0709","","","0.1823","0.1996","","","","","","1.137","","","","has coordinates","199711","2020-10-21","18:00:00",""
"7043947","17.351","0.017","17.351","0.017","30.46","0.02","90","","90","","90","","9170","14","293","2","293","2","","","","","","","","6","I 41/a","-I 4ad","88","","","","- C40 H42 Cu2 N9 O13 Tb -","- C40 H42 Cu2 N9 O13 Tb -","- C320 H336 Cu16 N72 O104 Tb8 -","8","","","Mahapatra, Prithwish; Ghosh, Soumavo; Koizumi, Naoki; Kanetomo, Takuya; Ishida, Takayuki; Drew, Michael G.B; Ghosh, Ashutosh","Structural Variations in (CuL)2Ln Complexes of a Series of Lanthanide Ions with Salen-Type Unsymmetrical Schiff Base(H2L): The Dy and Tb Derivatives as Potential Single-Molecule Magnets","Dalton Trans.","2017","","","","","10.1039/C7DT02061A","","","0.71073","MoKα","","0.0741","0.0454","","","0.1175","0.1335","","","","","","1.054","","","","has coordinates","199711","2020-10-21","18:00:00",""
"7043948","17.341","0.003","17.341","0.003","30.703","0.013","90","","90","","90","","9233","5","293","2","293","2","","","","","","","","6","I 41/a","-I 4ad","88","","","","- C40 H42 Cu2 Gd N9 O13 -","- C40 H42 Cu2 Gd N9 O13 -","- C320 H336 Cu16 Gd8 N72 O104 -","8","","","Mahapatra, Prithwish; Ghosh, Soumavo; Koizumi, Naoki; Kanetomo, Takuya; Ishida, Takayuki; Drew, Michael G.B; Ghosh, Ashutosh","Structural Variations in (CuL)2Ln Complexes of a Series of Lanthanide Ions with Salen-Type Unsymmetrical Schiff Base(H2L): The Dy and Tb Derivatives as Potential Single-Molecule Magnets","Dalton Trans.","2017","","","","","10.1039/C7DT02061A","","","0.71073","MoKα","","0.1115","0.0713","","","0.1931","0.2331","","","","","","0.964","","","","has coordinates","199711","2020-10-21","18:00:00",""
"7043949","10.212","0.005","20.369","0.005","23.068","0.005","90","","100.324","0.005","90","","4721","3","293","2","293","2","","","","","","","","6","C 1 c 1","C -2yc","9","","","","- C39 H40.5 Cu2 Er N8.5 O13 -","- C39 H40.5 Cu2 Er N8.5 O13 -","- C156 H162 Cu8 Er4 N34 O52 -","4","1","","Mahapatra, Prithwish; Ghosh, Soumavo; Koizumi, Naoki; Kanetomo, Takuya; Ishida, Takayuki; Drew, Michael G.B; Ghosh, Ashutosh","Structural Variations in (CuL)2Ln Complexes of a Series of Lanthanide Ions with Salen-Type Unsymmetrical Schiff Base(H2L): The Dy and Tb Derivatives as Potential Single-Molecule Magnets","Dalton Trans.","2017","","","","","10.1039/C7DT02061A","","","0.71073","MoKα","","0.1385","0.1022","","","0.2387","0.2576","","","","","","1.082","","","","has coordinates","199711","2020-10-21","18:00:00",""
"7043950","12.7802","0.0003","18.3127","0.0004","20.1463","0.0006","110.553","0.002","105.564","0.002","95.942","0.002","4149.6","0.2","173","2","173","2","","","","","","","","5","P -1","-P 1","2","","","","- C79 H67 Cu4 N14 O24.5 -","- C79 H67 Cu4 N14 O24.5 -","- C158 H134 Cu8 N28 O49 -","2","1","","Singh, Yogendra; Patel, Ram Niwas; Singh, Yogendra Pratap; Patel, Abhay Kumar; Patel, N.; Singh, Rita; Jasinski, Jerry P.; Butcher, R. J.; Colacio, Enrique; Palacios, Maria A.","Unprecedented tetranuclear complexes ""weighing balance shaped"" topology: Single crystal structures, unusual EPR spectra, magnetic properties and antioxidant activity","Dalton Trans.","2017","","","","","10.1039/C7DT02595E","","","0.71073","MoKα","","0.1189","0.0587","","","0.143","0.1825","","","","","","1.025","","","","has coordinates","199724","2020-10-21","18:00:00",""
"7043951","13.595","0.0006","31.2519","0.0019","19.898","0.0007","90","","99.454","0.004","90","","8339.2","0.7","173","2","173","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C80 H62 Cu4 N14 O19 -","- C80 H62 Cu4 N14 O19 -","- C320 H248 Cu16 N56 O76 -","4","1","","Singh, Yogendra; Patel, Ram Niwas; Singh, Yogendra Pratap; Patel, Abhay Kumar; Patel, N.; Singh, Rita; Jasinski, Jerry P.; Butcher, R. J.; Colacio, Enrique; Palacios, Maria A.","Unprecedented tetranuclear complexes ""weighing balance shaped"" topology: Single crystal structures, unusual EPR spectra, magnetic properties and antioxidant activity","Dalton Trans.","2017","","","","","10.1039/C7DT02595E","","","0.71073","MoKα","","0.1817","0.1346","","","0.2534","0.2836","","","","","","1.129","","","","has coordinates,has disorder","199724","2020-10-21","18:00:00",""
"7043952","9.47569","0.00017","23.6537","0.0004","12.2912","0.0002","90","","94.2603","0.0016","90","","2747.28","0.08","100.1","0.1","100.1","0.1","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","(1-(2,6-diisopropylphenyl)-3-((1-phenyl-1H-indol-2-yl)methyl)imidazolidin-2-ylidene)copper(I) chloride","","- C30 H33 Cl Cu N3 -","- C30 H33 Cl Cu N3 -","- C120 H132 Cl4 Cu4 N12 -","4","1","","Grudzień, Krzysztof; Trzaskowski, Bartosz; Smoleń, Michał; Gajda, Roman; Wozniak, Krzysztof; Grela, Karol","Hoveyda-Grubbs catalyst analogues bearing derivatives of N-phenylpyrrol in carbene ligand - structure, stability, activity and unique ruthenium-phenyl interactions","Dalton Trans.","2017","","","","","10.1039/C7DT02180A","","x-ray","0.71073","MoKα","","0.0626","0.0567","","","0.1315","0.1338","","","","","","1.284","","","","has coordinates,has disorder","199725","2020-10-21","18:00:00",""
"7043953","11.4296","0.0011","13.7384","0.0013","15.2495","0.0015","77.09","0.001","82.336","0.001","79.225","0.001","2282.3","0.4","100","2","100","2","","","","","","","","4","P -1","-P 1","2","","disilenylanthracene","","- C43 H70 O2 Si6 -","- C43 H70 O2 Si6 -","- C86 H140 O4 Si12 -","2","1","","Kosai, Tomoyuki; Ishida, Shintaro; Iwamoto, Takeaki","Heteroaryldisilenes: heteroaryl groups serve as electron acceptors for SiSi double bonds in intramolecular charge transfer transitions","Dalton Trans.","2017","","","","","10.1039/C7DT02357J","","","0.71073","MoKα","","0.0354","0.0316","","","0.0808","0.0843","","","","","","1.023","","","","has coordinates","199726","2020-10-21","18:00:00",""
"7043954","12.2262","0.0011","16.6001","0.0016","20.356","0.0019","90","","103.668","0.001","90","","4014.4","0.6","100","2","100","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","disilenylacridine","","- C38 H59 N Si6 -","- C38 H59 N Si6 -","- C152 H236 N4 Si24 -","4","1","","Kosai, Tomoyuki; Ishida, Shintaro; Iwamoto, Takeaki","Heteroaryldisilenes: heteroaryl groups serve as electron acceptors for SiSi double bonds in intramolecular charge transfer transitions","Dalton Trans.","2017","","","","","10.1039/C7DT02357J","","","0.71073","MoKα","","0.0318","0.0285","","","0.0776","0.0806","","","","","","1.032","","","","has coordinates","199726","2020-10-21","18:00:00",""
"7043955","16.03","0.003","30.312","0.006","9.521","0.002","90","","93.418","0.003","90","","4618","1.6","100","2","100","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","Bis(disilenyl)bithiophene","","- C78 H146 O4 S2 Si12 -","- C78 H146 O4 S2 Si12 -","- C156 H292 O8 S4 Si24 -","2","0.5","","Kosai, Tomoyuki; Ishida, Shintaro; Iwamoto, Takeaki","Heteroaryldisilenes: heteroaryl groups serve as electron acceptors for SiSi double bonds in intramolecular charge transfer transitions","Dalton Trans.","2017","","","","","10.1039/C7DT02357J","","","0.71073","MoKα","","0.1175","0.0728","","","0.1803","0.1991","","","","","","1.079","","","","has coordinates,has disorder","199726","2020-10-21","18:00:00",""
"7043956","11.3903","0.0003","17.1318","0.0004","19.8809","0.0005","90","","90.966","0.001","90","","3878.93","0.17","100","2","100","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","disilenylmesitylene","","- C34 H62 Si6 -","- C34 H62 Si6 -","- C136 H248 Si24 -","4","1","","Kosai, Tomoyuki; Ishida, Shintaro; Iwamoto, Takeaki","Heteroaryldisilenes: heteroaryl groups serve as electron acceptors for SiSi double bonds in intramolecular charge transfer transitions","Dalton Trans.","2017","","","","","10.1039/C7DT02357J","","","0.71073","MoKα","","0.0593","0.0386","","","0.0904","0.1006","","","","","","1.01","","","","has coordinates","199726","2020-10-21","18:00:00",""
"7043957","13.9334","0.0013","16.862","0.0016","14.7774","0.0014","90","","90.0935","0.001","90","","3471.9","0.6","100","2","100","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","disilenylthiophene","","- C29 H54 S Si6 -","- C29 H54 S Si6 -","- C116 H216 S4 Si24 -","4","1","","Kosai, Tomoyuki; Ishida, Shintaro; Iwamoto, Takeaki","Heteroaryldisilenes: heteroaryl groups serve as electron acceptors for SiSi double bonds in intramolecular charge transfer transitions","Dalton Trans.","2017","","","","","10.1039/C7DT02357J","","","0.71073","MoKα","","0.0332","0.0304","","","0.0811","0.0839","","","","","","1.018","","","","has coordinates","199726","2020-10-21","18:00:00",""
"7043958","11.8362","0.0012","17.6788","0.0017","18.7605","0.0018","84.111","0.001","81.87","0.001","89.724","0.001","3865.5","0.7","100","2","100","2","","","","","","","","4","P -1","-P 1","2","","bis(disilenyl)thiophene","","- C54 H104 S Si12 -","- C54 H104 S Si12 -","- C108 H208 S2 Si24 -","2","1","","Kosai, Tomoyuki; Ishida, Shintaro; Iwamoto, Takeaki","Heteroaryldisilenes: heteroaryl groups serve as electron acceptors for SiSi double bonds in intramolecular charge transfer transitions","Dalton Trans.","2017","","","","","10.1039/C7DT02357J","","","0.71073","MoKα","","0.0355","0.0296","","","0.0817","0.0844","","","","","","1.044","","","","has coordinates","199726","2020-10-21","18:00:00",""
"7043959","7.353","0.005","7.058","0.005","8.804","0.006","90","","110.104","0.007","90","","429.1","0.5","203","2","203","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- F2 Ge H10 N2 O8 P2 -","- F2 Ge H10 N2 O8 P2 -","- F4 Ge2 H20 N4 O16 P4 -","2","0.5","","Chen, Zhang-Gai; Huang, Xia; Zhuang, Rongchuan; Zhang, Yu; Liu, Xin; Shi, Tao; Wang, Shuai-Hua; Wu, Shao-Fan; Mi, Jin-Xiao; Huang, Ya-Xi","Structural Diversities Induced by Cation Sizes in a Series of Fluorogermanophosphates: A2[GeF2(HPO4)2] (A = Na, K, Rb, NH4, and Cs)","Dalton Trans.","2017","","","","","10.1039/C7DT02561K","","","0.71073","MoKα","","0.0281","0.0261","","","0.0666","0.0679","","","","","","1.097","","","","has coordinates","199727","2020-10-21","18:00:00",""
"7043960","10.372","0.008","8.562","0.007","4.483","0.003","90","","90.939","0.01","90","","398.1","0.5","203","2","203","2","","","","","","","","6","C 1 2/m 1","-C 2y","12","","","","- F2 Ge H2 Na2 O8 P2 -","- F2 Ge H2 Na2 O8 P2 -","- F4 Ge2 H4 Na4 O16 P4 -","2","0.25","","Chen, Zhang-Gai; Huang, Xia; Zhuang, Rongchuan; Zhang, Yu; Liu, Xin; Shi, Tao; Wang, Shuai-Hua; Wu, Shao-Fan; Mi, Jin-Xiao; Huang, Ya-Xi","Structural Diversities Induced by Cation Sizes in a Series of Fluorogermanophosphates: A2[GeF2(HPO4)2] (A = Na, K, Rb, NH4, and Cs)","Dalton Trans.","2017","","","","","10.1039/C7DT02561K","","","0.71073","MoKα","","0.0238","0.0231","","","0.0548","0.0552","","","","","","1.154","","","","has coordinates","199727","2020-10-21","18:00:00",""
"7043961","8.567","0.008","8.567","0.008","6.389","0.006","90","","90","","90","","468.9","0.8","203","2","203","2","","","","","","","","6","P 4/m b m","-P 4 2ab","127","","","","- Cs2 F2 Ge H2 O8 P2 -","- Cs2 F2 Ge H2 O8 P2 -","- Cs4 F4 Ge2 H4 O16 P4 -","2","0.125","","Chen, Zhang-Gai; Huang, Xia; Zhuang, Rongchuan; Zhang, Yu; Liu, Xin; Shi, Tao; Wang, Shuai-Hua; Wu, Shao-Fan; Mi, Jin-Xiao; Huang, Ya-Xi","Structural Diversities Induced by Cation Sizes in a Series of Fluorogermanophosphates: A2[GeF2(HPO4)2] (A = Na, K, Rb, NH4, and Cs)","Dalton Trans.","2017","","","","","10.1039/C7DT02561K","","","0.71073","MoKα","","0.0438","0.0388","","","0.0736","0.0747","","","","","","1.209","","","","has coordinates","199727","2020-10-21","18:00:00",""
"7043962","12.927","0.008","4.631","0.003","16.057","0.01","90","","106.979","0.009","90","","919.4","1","203","2","203","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- F2 Ge H2 O8 P2 Rb2 -","- F2 Ge H2 O8 P2 Rb2 -","- F8 Ge4 H8 O32 P8 Rb8 -","4","0.5","","Chen, Zhang-Gai; Huang, Xia; Zhuang, Rongchuan; Zhang, Yu; Liu, Xin; Shi, Tao; Wang, Shuai-Hua; Wu, Shao-Fan; Mi, Jin-Xiao; Huang, Ya-Xi","Structural Diversities Induced by Cation Sizes in a Series of Fluorogermanophosphates: A2[GeF2(HPO4)2] (A = Na, K, Rb, NH4, and Cs)","Dalton Trans.","2017","","","","","10.1039/C7DT02561K","","","0.71073","MoKα","","0.063","0.0475","","","0.104","0.1091","","","","","","1.106","","","","has coordinates","199727","2020-10-21","18:00:00",""
"7043963","12.361","0.008","4.602","0.003","16.119","0.011","90","","107.203","0.008","90","","875.9","1","203","2","203","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- F2 Ge H2 K2 O8 P2 -","- F2 Ge H2 K2 O8 P2 -","- F8 Ge4 H8 K8 O32 P8 -","4","0.5","","Chen, Zhang-Gai; Huang, Xia; Zhuang, Rongchuan; Zhang, Yu; Liu, Xin; Shi, Tao; Wang, Shuai-Hua; Wu, Shao-Fan; Mi, Jin-Xiao; Huang, Ya-Xi","Structural Diversities Induced by Cation Sizes in a Series of Fluorogermanophosphates: A2[GeF2(HPO4)2] (A = Na, K, Rb, NH4, and Cs)","Dalton Trans.","2017","","","","","10.1039/C7DT02561K","","","0.71073","MoKα","","0.0228","0.0224","","","0.0634","0.0637","","","","","","1.19","","","","has coordinates","199727","2020-10-21","18:00:00",""
"7043964","16.08","0.002","16.7412","0.0013","20.135","0.003","101.243","0.002","108.605","0.003","111.309","0.002","4479.3","1","193","2","193","2","","","","","","","","8","P -1","-P 1","2","","","","- C138 H188 Cd7 Cl6 Hg2 N26 O43 S4 -","- C138 H188 Cd7 Cl6 Hg2 N26 O43 S4 -","- C138 H188 Cd7 Cl6 Hg2 N26 O43 S4 -","1","0.5","","Tang, Xiaoyan; Yu, Hong; Gao, Bin-Bin; Lang, Jian-Ping","[Cd(H2O)6]@{Cd6Cl4(nico)12[Hg(Tab)2(-Cl)]2}: a heterometallic host-guest icosidodecahedron cage via hierarchical assembly","Dalton Trans.","2017","","","","","10.1039/C7DT02679J","","","0.71073","MoKα","","0.0703","0.0513","","","0.1161","0.1221","","","","","","1.02","","","","has coordinates","199728","2020-10-21","18:00:00",""
"7043965","8.4455","0.0017","10.67","0.002","19.816","0.0015","93.09","0.02","99.53","0.03","94.56","0.02","1751.4","0.5","193","2","193","2","","","","","","","","8","P -1","-P 1","2","","","","- C56 H77 F12 Hg2 N9 O6 P2 S4 -","- C56 H77 F12 Hg2 N9 O6 P2 S4 -","- C56 H77 F12 Hg2 N9 O6 P2 S4 -","1","0.5","","Tang, Xiaoyan; Yu, Hong; Gao, Bin-Bin; Lang, Jian-Ping","[Cd(H2O)6]@{Cd6Cl4(nico)12[Hg(Tab)2(-Cl)]2}: a heterometallic host-guest icosidodecahedron cage via hierarchical assembly","Dalton Trans.","2017","","","","","10.1039/C7DT02679J","","","0.71073","MoKα","","0.0444","0.0338","","","0.0712","0.0756","","","","","","1.034","","","","has coordinates","199728","2020-10-21","18:00:00",""
"7043966","12.542","0.003","8.8863","0.0018","24.244","0.005","90","","93.86","0.03","90","","2695.9","1","193","2","193","2","","","","","","","","8","P 1 21/c 1","-P 2ybc","14","","","","- C19 H30 Cd Cl4 Hg N2 O S2 -","- C19 H30 Cd Cl4 Hg N2 O S2 -","- C76 H120 Cd4 Cl16 Hg4 N8 O4 S8 -","4","1","","Tang, Xiaoyan; Yu, Hong; Gao, Bin-Bin; Lang, Jian-Ping","[Cd(H2O)6]@{Cd6Cl4(nico)12[Hg(Tab)2(-Cl)]2}: a heterometallic host-guest icosidodecahedron cage via hierarchical assembly","Dalton Trans.","2017","","","","","10.1039/C7DT02679J","","","0.71073","MoKα","","0.0507","0.0426","","","0.0811","0.0842","","","","","","1.194","","","","has coordinates","199728","2020-10-21","18:00:00",""
"7043967","12.5369","0.0018","12.5369","0.0018","18.124","0.003","90","","90","","90","","2848.6","0.7","296","2","296","2","","","","","","","","3","I 4/m m m","-I 4 2","139","","Eu11Bi8.07(2)Sn1.93","","- Bi8.07 Eu11 Sn1.93 -","- Bi8.07 Eu11 Sn1.93 -","- Bi32.28 Eu44 Sn7.72 -","4","0.125","","Choi, Woongjin; Lee, Junsu; Lee, Yunho; Ahn, Kyunghan; You, Tae-Soo","Single and Double-Doping Effects on the Thermoelectric Properties of Two Zintl Compounds: Eu11Bi8.07(2)Sn1.93 and Eu10.74(2)K0.26Bi9.14(2)Sn0.86","Dalton Trans.","2017","","","","","10.1039/C7DT02410J","","","0.71073","MoKα","","0.0372","0.0274","","","0.0411","0.0432","","","","","","1.093","","","","has coordinates","199756","2020-10-21","18:00:00",""
"7043968","12.5414","0.0003","12.5414","0.0003","18.1027","0.0005","90","","90","","90","","2847.31","0.12","273","2","273","2","","","","","","","","4","I 4/m m m","-I 4 2","139","","Eu10.74K0.26Bi9.14Sn0.86","","- Bi9.14 Eu10.74 K0.26 Sn0.86 -","- Bi9.138 Eu10.739 K0.261 Sn0.862 -","- Bi36.552 Eu42.956 K1.044 Sn3.448 -","4","0.125","","Choi, Woongjin; Lee, Junsu; Lee, Yunho; Ahn, Kyunghan; You, Tae-Soo","Single and Double-Doping Effects on the Thermoelectric Properties of Two Zintl Compounds: Eu11Bi8.07(2)Sn1.93 and Eu10.74(2)K0.26Bi9.14(2)Sn0.86","Dalton Trans.","2017","","","","","10.1039/C7DT02410J","","","0.71073","MoKα","","0.036","0.0263","","","0.0513","0.0545","","","","","","1.146","","","","has coordinates","199756","2020-10-21","18:00:00",""
"7043969","8.6918","0.0006","24.9364","0.0016","40.194","0.003","90","","90","","90","","8711.7","1","150","2","150","2","","","","","","","","5","P c c n","-P 2ab 2ac","56","","","","- C81 H100 F24 N10 O7 -","- C81 H100 F24 N10 O7 -","- C324 H400 F96 N40 O28 -","4","0.5","","Manna, Utsab; Kayal, Santanu; Nayak, Biswajit; Das, Gopal","Systematic Size Mediated Trapping of Anions of Varied Dimensionality within Dimeric Capsular Assembly of a Flexible Neutral Bis-Urea Platform","Dalton Trans.","2017","","","","","10.1039/C7DT02308A","","","1.54178","CuKα","","0.1402","0.0811","","","0.1716","0.2046","","","","","","1.027","","","","has coordinates,has disorder","199757","2020-10-21","18:00:00",""
"7043970","9.667","0.0008","13.2167","0.0011","13.9113","0.0012","104.44","0.007","92.993","0.007","90.22","0.007","1718.6","0.3","298","2","298","2","","","","","","","","6","P -1","-P 1","2","","","","- C28 H26 F12 N4 O4 S2 -","- C28 H26 F12 N4 O4 S2 -","- C56 H52 F24 N8 O8 S4 -","2","1","","Manna, Utsab; Kayal, Santanu; Nayak, Biswajit; Das, Gopal","Systematic Size Mediated Trapping of Anions of Varied Dimensionality within Dimeric Capsular Assembly of a Flexible Neutral Bis-Urea Platform","Dalton Trans.","2017","","","","","10.1039/C7DT02308A","","","0.71073","MoKα","","0.121","0.071","","","0.1703","0.2069","","","","","","1.068","","","","has coordinates,has disorder","199757","2020-10-21","18:00:00",""
"7043971","14.8485","0.0008","17.8004","0.0011","20.1415","0.0012","113.187","0.006","98.384","0.005","105.077","0.005","4536.6","0.6","298","2","298","2","","","","","","","","6","P -1","-P 1","2","","","","- C80 H100 F24 N10 O8 S -","- C80 H100 F24 N10 O8 S -","- C160 H200 F48 N20 O16 S2 -","2","1","","Manna, Utsab; Kayal, Santanu; Nayak, Biswajit; Das, Gopal","Systematic Size Mediated Trapping of Anions of Varied Dimensionality within Dimeric Capsular Assembly of a Flexible Neutral Bis-Urea Platform","Dalton Trans.","2017","","","","","10.1039/C7DT02308A","","","0.71073","MoKα","","0.2439","0.0994","","","0.147","0.195","","","","","","1.097","","","","has coordinates,has disorder","199757","2020-10-21","18:00:00",""
"7043972","17.6943","0.0009","14.522","0.001","18.0327","0.0011","90","","103.309","0.006","90","","4509.2","0.5","298","2","298","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C40 H50 Cl F12 N5 O2 -","- C40 H50 Cl F12 N5 O2 -","- C160 H200 Cl4 F48 N20 O8 -","4","1","","Manna, Utsab; Kayal, Santanu; Nayak, Biswajit; Das, Gopal","Systematic Size Mediated Trapping of Anions of Varied Dimensionality within Dimeric Capsular Assembly of a Flexible Neutral Bis-Urea Platform","Dalton Trans.","2017","","","","","10.1039/C7DT02308A","","","0.71073","MoKα","","0.1169","0.0666","","","0.1671","0.2127","","","","","","1.007","","","","has coordinates,has disorder","199757","2020-10-21","18:00:00",""
"7043973","14.9024","0.001","18.28","0.002","16.8119","0.0011","90","","91.476","0.006","90","","4578.3","0.7","298","2","298","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C40 H52 F13 N5 O3 -","- C40 H52 F13 N5 O3 -","- C160 H208 F52 N20 O12 -","4","1","","Manna, Utsab; Kayal, Santanu; Nayak, Biswajit; Das, Gopal","Systematic Size Mediated Trapping of Anions of Varied Dimensionality within Dimeric Capsular Assembly of a Flexible Neutral Bis-Urea Platform","Dalton Trans.","2017","","","","","10.1039/C7DT02308A","","","0.71073","MoKα","","0.2164","0.0976","","","0.1897","0.2454","","","","","","1.128","","","","has coordinates,has disorder","199757","2020-10-21","18:00:00",""
"7043974","10.0555","0.0009","13.4392","0.0013","14.8575","0.0013","77.996","0.008","87.728","0.007","70.382","0.008","1848.9","0.3","298","2","298","2","","","","","","","","6","P -1","-P 1","2","","","","- C32 H34 Cl F12 N5 O2 -","- C32 H34 Cl F12 N5 O2 -","- C64 H68 Cl2 F24 N10 O4 -","2","1","","Manna, Utsab; Kayal, Santanu; Nayak, Biswajit; Das, Gopal","Systematic Size Mediated Trapping of Anions of Varied Dimensionality within Dimeric Capsular Assembly of a Flexible Neutral Bis-Urea Platform","Dalton Trans.","2017","","","","","10.1039/C7DT02308A","","","0.71073","MoKα","","0.132","0.0871","","","0.2054","0.2353","","","","","","1.049","","","","has coordinates,has disorder","199757","2020-10-21","18:00:00",""
"7043975","17.644","0.0006","14.9266","0.0006","18.2352","0.0005","90","","100.787","0.003","90","","4717.7","0.3","298","2","298","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C40 H50 F12 I N5 O2 -","- C40 H50 F12 I N5 O2 -","- C160 H200 F48 I4 N20 O8 -","4","1","","Manna, Utsab; Kayal, Santanu; Nayak, Biswajit; Das, Gopal","Systematic Size Mediated Trapping of Anions of Varied Dimensionality within Dimeric Capsular Assembly of a Flexible Neutral Bis-Urea Platform","Dalton Trans.","2017","","","","","10.1039/C7DT02308A","","","0.71073","MoKα","","0.0654","0.0443","","","0.114","0.1306","","","","","","1.035","","","","has coordinates,has disorder","199757","2020-10-21","18:00:00",""
"7043976","17.524","0.001","14.7884","0.0008","17.9804","0.0009","90","","101.09","0.006","90","","4572.6","0.4","298","2","298","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C40 H50 Br F12 N5 O2 -","- C40 H50 Br F12 N5 O2 -","- C160 H200 Br4 F48 N20 O8 -","4","1","","Manna, Utsab; Kayal, Santanu; Nayak, Biswajit; Das, Gopal","Systematic Size Mediated Trapping of Anions of Varied Dimensionality within Dimeric Capsular Assembly of a Flexible Neutral Bis-Urea Platform","Dalton Trans.","2017","","","","","10.1039/C7DT02308A","","","0.71073","MoKα","","0.1253","0.0658","","","0.1609","0.204","","","","","","1.037","","","","has coordinates,has disorder","199757","2020-10-21","18:00:00",""
"7043977","4.8667","0.0003","11.3891","0.0008","16.8685","0.0012","82.028","0.006","89.129","0.006","83.994","0.005","920.86","0.11","153","2","153","2","","","","","","","","7","P -1","-P 1","2","","","","- C14 H12 Co I8 N2 O8 Pb2.4 -","- C14 H12 Co I8 N2 O8 Pb2.404 -","- C14 H12 Co I8 N2 O8 Pb2.404 -","1","0.5","","Liu, Jian-Jun; Shan, Yue-Bin; Huang, Chang-Cang; Dai, Wenxin; Lin, Mei-Jin","Assembly of donor-acceptor hybrid heterostructures based on iodoplumbates and viologen coordination polymers","Dalton Trans.","2017","","","","","10.1039/C7DT02133J","","","0.71073","MoKα","","0.0914","0.0704","","","0.1848","0.2","","","","","","1","","","","has coordinates","199758","2020-10-21","18:00:00",""
"7043978","23.839","0.005","23.108","0.005","15.993","0.003","90","","99.99","0.03","90","","8677","3","153","2","153","2","","","","","","","","8","C 1 2/m 1","-C 2y","12","","","","- C56 H84 I30 K6 N8 Ni2 O49.2 Pb9 -","- C56 H48 I30 K6 N8 Ni2 O31.2 Pb9 -","- C112 H96 I60 K12 N16 Ni4 O62.4 Pb18 -","2","0.25","","Liu, Jian-Jun; Shan, Yue-Bin; Huang, Chang-Cang; Dai, Wenxin; Lin, Mei-Jin","Assembly of donor-acceptor hybrid heterostructures based on iodoplumbates and viologen coordination polymers","Dalton Trans.","2017","","","","","10.1039/C7DT02133J","","","0.71073","MoKα","","0.0668","0.0429","","","0.1033","0.1125","","","","","","1.024","","","","has coordinates","199758","2020-10-21","18:00:00",""
"7043979","15.6173","0.0003","19.3882","0.0004","16.8316","0.0004","90","","91.5337","0.0019","90","","5094.64","0.19","294.75","0.1","294.75","0.1","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C36 H76 Cl10 N4 Re2 -","- C36 H76 Cl10 N4 Re2 -","- C144 H304 Cl40 N16 Re8 -","4","1","","Brechin, Euan K.; Pedersen, Anders Hjordt H.; Julve, Miguel; Martínez-Lillo, José; Cano, Joan","Magneto-structural correlations in dirhenium(IV) complexes possessing magnetic pathways with even or odd numbers of atoms.","Dalton Trans.","2017","","","","","10.1039/C7DT02612A","","x-ray","0.71073","MoKα","","0.0608","0.0402","","","0.0532","0.0583","","","","","","1.06","","","","has coordinates","199789","2020-10-21","18:00:00",""
"7043980","23.7287","0.0005","11.12035","0.00019","20.8616","0.0005","90","","108.371","0.002","90","","5224.2","0.2","120","0.1","120","0.1","","","","","","","","5","I 1 2/a 1","-I 2ya","15","","","","- C35 H75 Br10 N5 Re2 -","- C35 H75 Br10 N5 Re2 -","- C140 H300 Br40 N20 Re8 -","4","0.5","","Brechin, Euan K.; Pedersen, Anders Hjordt H.; Julve, Miguel; Martínez-Lillo, José; Cano, Joan","Magneto-structural correlations in dirhenium(IV) complexes possessing magnetic pathways with even or odd numbers of atoms.","Dalton Trans.","2017","","","","","10.1039/C7DT02612A","","x-ray","0.71073","MoKα","","0.0348","0.0275","","","0.0436","0.0453","","","","","","1.119","","","","has coordinates","199789","2020-10-21","18:00:00",""
"7043981","16.5547","0.0003","15.1382","0.0002","21.5926","0.0003","90","","90.122","0.002","90","","5411.27","0.14","293","2","293","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C36 H76 Br10 N4 Re2 -","- C36 H76 Br10 N4 Re2 -","- C144 H304 Br40 N16 Re8 -","4","2","","Brechin, Euan K.; Pedersen, Anders Hjordt H.; Julve, Miguel; Martínez-Lillo, José; Cano, Joan","Magneto-structural correlations in dirhenium(IV) complexes possessing magnetic pathways with even or odd numbers of atoms.","Dalton Trans.","2017","","","","","10.1039/C7DT02612A","","x-ray","0.71073","MoKα","","0.0798","0.0448","","","0.0698","0.0769","","","","","","0.96","","","","has coordinates,has disorder","199789","2020-10-21","18:00:00",""
"7043982","11.063","0.0003","22.3446","0.0005","11.9834","0.0004","90","","115.626","0.004","90","","2670.9","0.16","120.01","0.1","120.01","0.1","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C36 H76 Br10 N4 Re2 -","- C36 H76 Br10 N4 Re2 -","- C72 H152 Br20 N8 Re4 -","2","0.5","","Brechin, Euan K.; Pedersen, Anders Hjordt H.; Julve, Miguel; Martínez-Lillo, José; Cano, Joan","Magneto-structural correlations in dirhenium(IV) complexes possessing magnetic pathways with even or odd numbers of atoms.","Dalton Trans.","2017","","","","","10.1039/C7DT02612A","","x-ray","0.71073","MoKα","","0.0688","0.0423","","","0.0723","0.0804","","","","","","1.045","","","","has coordinates,has disorder","199789","2020-10-21","18:00:00",""
"7043983","13.1258","0.0004","12.2645","0.0004","17.8016","0.0004","90","","131.537","0.001","90","","2145.08","0.11","199","2","199","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","cis-[tetrachlorido-bis(1H-indazole)osmate(IV)] acetone solvate","","- C17 H18 Cl4 N4 O Os -","- C17 H18 Cl4 N4 O Os -","- C68 H72 Cl16 N16 O4 Os4 -","4","1","","Büchel, Gabriel E.; Kossatz, Susanne; Sadique, Ahmad; Rapta, P.; Zalibera, Michal; Bucinsky, Lukas; Komorovsky, Stanislav; Telser, Joshua; Eppinger, Jörg; Reiner, Thomas; Arion, Vladimir","cis-Tetrachlorido-bis(indazole)osmium(IV) and its osmium(III) analogues: paving the way towards the cis-isomer of the ruthenium anticancer drugs KP1019 and/or NKP1339","Dalton Trans.","2017","","","","","10.1039/C7DT02194A","","","1.54184","CuKα","","0.0184","0.018","","","0.0505","0.051","","","","","","1.009","","","","has coordinates","199790","2020-10-21","18:00:00",""
"7043984","10.2354","0.0006","14.3781","0.0006","16.4733","0.0009","90","","91.046","0.002","90","","2423.9","0.2","100","2","100","2","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","trans-[Dichlorido-bis(1H-indazole)osmate(IV)]didimethylsulfoxide solvate","","- C18 H24 Cl4 N4 O2 Os S2 -","- C18 H24 Cl4 N4 O2 Os S2 -","- C72 H96 Cl16 N16 O8 Os4 S8 -","4","1","","Büchel, Gabriel E.; Kossatz, Susanne; Sadique, Ahmad; Rapta, P.; Zalibera, Michal; Bucinsky, Lukas; Komorovsky, Stanislav; Telser, Joshua; Eppinger, Jörg; Reiner, Thomas; Arion, Vladimir","cis-Tetrachlorido-bis(indazole)osmium(IV) and its osmium(III) analogues: paving the way towards the cis-isomer of the ruthenium anticancer drugs KP1019 and/or NKP1339","Dalton Trans.","2017","","","","","10.1039/C7DT02194A","","","0.71073","MoKα","","0.0476","0.0266","","","0.053","0.0579","","","","","","1.011","","","","has coordinates","199790","2020-10-21","18:00:00",""
"7043985","13.199","0.002","11.715","0.003","14.375","0.004","90","","98.15","0.02","90","","2200.3","0.9","299.57","0.1","299.57","0.1","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C21 H19 Cd N3 O7 -","- C21 H19 Cd N3 O7 -","- C84 H76 Cd4 N12 O28 -","4","1","","Cao, Li-Hui; Li, Hai-Yang; Xu, Hong; Wei, Yong-Li; Zang, Shuang-Quan","Diverse dissolution-recrystallization structural transformations and sequential Förster resonance energy transfer behavior of a luminescent porous Cd-MOF","Dalton Transactions","2017","46","35","11656","11663","10.1039/c7dt02697h","","x-ray","0.71073","MoKα","","0.0871","0.0597","","","0.1536","0.1642","","","","","","1.08","","","","has coordinates","218748","2020-10-21","18:00:00",""
"7043986","17.975","0.0014","17.975","0.0014","8.8636","0.0004","90","","90","","120","","2480.2","0.3","100","0.1","100","0.1","","","","","","","","5","P 3","P 3","143","","","","- C45 H53 Cd2 N7 O18 -","- C45 H53 Cd2 N7 O18 -","- C45 H53 Cd2 N7 O18 -","1","0.333333","","Cao, Li-Hui; Li, Hai-Yang; Xu, Hong; Wei, Yong-Li; Zang, Shuang-Quan","Diverse dissolution-recrystallization structural transformations and sequential Förster resonance energy transfer behavior of a luminescent porous Cd-MOF","Dalton Transactions","2017","46","35","11656","11663","10.1039/c7dt02697h","","","0.71073","MoKα","","0.0705","0.0524","","","0.0921","0.0978","","","","","","1.001","","","","has coordinates","218748","2020-10-21","18:00:00",""
"7043987","9.1904","0.0003","18.4142","0.0007","7.998","0.0003","90","","90","","90","","1353.53","0.08","294","2","294.36","","","","","","","","","5","P b c m","-P 2c 2b","57","","","","- C11 H13 Cd N O8 -","- C11 H13 Cd N O8 -","- C44 H52 Cd4 N4 O32 -","4","0.5","","Cao, Li-Hui; Li, Hai-Yang; Xu, Hong; Wei, Yong-Li; Zang, Shuang-Quan","Diverse dissolution-recrystallization structural transformations and sequential Förster resonance energy transfer behavior of a luminescent porous Cd-MOF","Dalton Transactions","2017","46","35","11656","11663","10.1039/c7dt02697h","","","0.71073","MoKα","","0.0439","0.0353","","","0.0902","0.0942","","","","","","1.055","","","","has coordinates,has disorder","218748","2020-10-21","18:00:00",""
"7043988","14.0033","0.0004","13.573","0.0003","16.4628","0.0004","90","","95.083","0.002","90","","3116.73","0.14","100","2","99.95","","","","","","","","","5","P 1 2/n 1","-P 2yac","13","","","","- C22 H32 Cd2 N2 O19 -","- C22 H32 Cd2 N2 O19 -","- C88 H128 Cd8 N8 O76 -","4","1","","Cao, Li-Hui; Li, Hai-Yang; Xu, Hong; Wei, Yong-Li; Zang, Shuang-Quan","Diverse dissolution-recrystallization structural transformations and sequential Förster resonance energy transfer behavior of a luminescent porous Cd-MOF","Dalton Transactions","2017","46","35","11656","11663","10.1039/c7dt02697h","","","1.54178","CuKα","","0.0859","0.0724","","","0.2067","0.2165","","","","","","1.084","","","","has coordinates,has disorder","218748","2020-10-21","18:00:00",""
"7043989","32.285","","14.674","","21.768","","90","","95.18","","90","","10270.5","","296","2","296","2","","","","","","","","8","C 1 2/c 1","-C 2yc","15","","","","- C0 H110 Co4 K2 N0 O123 W19 Zn5 -","- Co4 K2 O123 W19 Zn5 -","- Co16 K8 O492 W76 Zn20 -","4","0.5","","Xing, Songzhu; Han, Qiuxia; Shi, Zhuolin; Wang, Shugai; Yang, PeiPei; Wu, Qiang; Li, Mingxue","A hydrophilic inorganic framework based on a sandwich polyoxometalate: unusual chemoselectivity for aldehydes/ketones with in situ generated hydroxylamine.","Dalton transactions (Cambridge, England : 2003)","2017","","","","","10.1039/c7dt02411h","","","0.71073","MoKα","","0.0452","0.0337","","","0.0839","0.0934","","","","","","1.045","","","","has coordinates,has disorder","199807","2020-10-21","18:00:00",""
"7043990","16.2194","0.0007","16.2194","0.0007","26.9621","0.0015","90","","90","","120","","6142.6","0.5","200","2","200","","","","","","","","","5","P 63/m","-P 6c","176","","","","- C51 H75 Eu N4 O3 -","- C51 H75 Eu N4 O3 -","- C204 H300 Eu4 N16 O12 -","4","0.333333","","Lionetti, Davide; Day, Victor W.; Blakemore, James","Noncovalent immobilization and surface characterization of lanthanide complexes on carbon electrodes","Dalton Trans.","2017","","","","","10.1039/C7DT02577G","","","1.54178","CuKα","","0.0526","0.0482","","","0.1107","0.1126","","","","","","1.146","","","","has coordinates,has disorder","199832","2020-10-21","18:00:00",""
"7043991","18.885","0.004","12.5765","0.0019","21.644","0.004","90","","115.462","0.004","90","","4641.3","1.5","100","2","100","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C109 H120 Mg2 N12 -","- C109 H120 Mg2 N12 -","- C218 H240 Mg4 N24 -","2","0.5","","D'Auria, Ilaria; Tedesco, Consiglia; MAZZEO, Mina; Pellecchia, Claudio","New homoleptic bis(pyrrolylpyridiylimino) Mg(II) and Zn(II) complexes as catalysts for the ring opening polymerization of cyclic esters via an ""activated monomer"" mechanism.","Dalton Trans.","2017","","","","","10.1039/C7DT02445B","","","0.71073","MoKα","","0.1845","0.0864","","","0.1784","0.2189","","","","","","1.01","","","","has coordinates,has disorder","199844","2020-10-21","18:00:00",""
"7043992","20.124","0.003","19.606","0.003","21.718","0.003","90","","94.445","0.004","90","","8543","2","293","2","293","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C95 H104 N12 Zn2 -","- C95 H104 N12 Zn2 -","- C380 H416 N48 Zn8 -","4","0.5","","D'Auria, Ilaria; Tedesco, Consiglia; MAZZEO, Mina; Pellecchia, Claudio","New homoleptic bis(pyrrolylpyridiylimino) Mg(II) and Zn(II) complexes as catalysts for the ring opening polymerization of cyclic esters via an ""activated monomer"" mechanism.","Dalton Trans.","2017","","","","","10.1039/C7DT02445B","","","0.71073","MoKα","","0.2163","0.0968","","","0.2412","0.3286","","","","","","0.999","","","","has coordinates","199844","2020-10-21","18:00:00",""
"7043993","6.8473","0.0014","10.0614","0.0019","18.471","0.004","90","","93.454","0.002","90","","1270.2","0.4","296","2","296","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C11 H8 N3 O7 Sm -","- C11 H8 N3 O7 Sm -","- C44 H32 N12 O28 Sm4 -","4","1","","Liu, Le-Hui; Qiu, Xing-Tai; Wang, Yong-Jiang; Shi, Qing; Sun, Yan-Qiong; Chen, Yi-Ping","NIR emission and luminescent sensing of lanthanide-organic framework with Lewis basic imidazole and pyridyl Sites","Dalton Trans.","2017","","","","","10.1039/C7DT02745A","","","0.71073","MoKα","","0.0234","0.0194","","","0.0431","0.0449","","","","","","1.08","","","","has coordinates","199845","2020-10-21","18:00:00",""
"7043994","6.8351","0.0006","10.0382","0.0009","18.4454","0.0017","90","","93.531","0.001","90","","1263.2","0.2","296","2","296","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C11 H8 Eu N3 O7 -","- C11 H8 Eu N3 O7 -","- C44 H32 Eu4 N12 O28 -","4","1","","Liu, Le-Hui; Qiu, Xing-Tai; Wang, Yong-Jiang; Shi, Qing; Sun, Yan-Qiong; Chen, Yi-Ping","NIR emission and luminescent sensing of lanthanide-organic framework with Lewis basic imidazole and pyridyl Sites","Dalton Trans.","2017","","","","","10.1039/C7DT02745A","","","0.71073","MoKα","","0.0266","0.0195","","","0.0475","0.0508","","","","","","1.114","","","","has coordinates","199845","2020-10-21","18:00:00",""
"7043995","6.8672","0.0012","10.1098","0.0018","18.617","0.003","90","","93.655","0.004","90","","1289.9","0.4","296","2","296","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C11 H8 N3 Nd O7 -","- C11 H8 N3 Nd O7 -","- C44 H32 N12 Nd4 O28 -","4","1","","Liu, Le-Hui; Qiu, Xing-Tai; Wang, Yong-Jiang; Shi, Qing; Sun, Yan-Qiong; Chen, Yi-Ping","NIR emission and luminescent sensing of lanthanide-organic framework with Lewis basic imidazole and pyridyl Sites","Dalton Trans.","2017","","","","","10.1039/C7DT02745A","","","0.71073","MoKα","","0.0212","0.0195","","","0.0478","0.0491","","","","","","1.1","","","","has coordinates","199845","2020-10-21","18:00:00",""
"7043996","18.4093","0.0005","16.6908","0.0004","14.8012","0.0004","90","","111.104","0.0008","90","","4242.86","0.19","100","2","99.99","","","","","","","","","7","C 1 2/c 1","-C 2yc","15","","","","- C46 H32.68 Cd2 Cl2 N6 O8.34 Ru -","- C46 H32 Cd2 Cl2 N6 O8.34 Ru -","- C184 H128 Cd8 Cl8 N24 O33.36 Ru4 -","4","0.5","","Larsen, Randy W.; Mayers, Jacob M.; Wojtas, Lukasz","Novel Photo-Active Cd:1,4-Benzene Dicarboxylate Metal Organic Framework Templated by [Ru(II)(2,2’-bipyridine)3]2+: Synthesis and Photophysics of RWLC-5","Dalton Trans.","2017","","","","","10.1039/C7DT02436C","","","1.54178","CuKα","","0.0251","0.0247","","","0.0622","0.0624","","","","","","1.119","","","","has coordinates","199846","2020-10-21","18:00:00",""
"7043997","8.9973","0.0007","14.6074","0.0011","21.2615","0.0015","90","","94.108","0.007","90","","2787.2","0.4","180","0.1","180","0.1","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C14 H25 Al3 N4 O17 P4 -","- C14 H25 Al3 N4 O17 P4 -","- C56 H100 Al12 N16 O68 P16 -","4","1","","Lin, Cong; Li, Jian; Pan, Fengjuan; Zhao, Yifang; Xu, Le; Yang, Yanquan; Du, Xin; Lin, Xiaohuan; Liao, Fuhui; Lin, Jianhua; Yang, Tao; Sun, Junliang","A crystalline AlPO4-5 intermediate: designed synthesis, structure and phase transformation","Dalton Trans.","2017","","","","","10.1039/C7DT02772A","","","0.71073","MoKα","","0.0942","0.0623","","","0.1501","0.1698","","","","","","1.049","","","","has coordinates","199868","2020-10-21","18:00:00",""
"7043998","10.944","0.003","17.123","0.005","18.936","0.005","74.463","0.01","84.52","0.011","85.333","0.012","3397.4","1.6","295","2","295.16","","","","","","","","","5","P -1","-P 1","2","","","","- C68 H44 Eu3 N8 O23 -","- C68 H42 Eu3 N8 O23 -","- C136 H84 Eu6 N16 O46 -","2","1","","Hou, Hongwei; Honghong, Li; Han, Yanbing; Shao, Chao Zhi; Na, Li; Huang, Chao","Water-stable Eu-MOFs fluorescent sensors for trivalent metal ions and the nitrobenzene","Dalton Trans.","2017","","","","","10.1039/C7DT02590D","","","0.71073","MoKα","","0.0482","0.0344","","","0.0737","0.0769","","","","","","1.027","","","","has coordinates","199869","2020-10-21","18:00:00",""
"7043999","24.7001","0.0009","13.6925","0.0004","33.0957","0.0011","90","","102.662","0.001","90","","10921","0.6","295","2","295.12","","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C51 H30 Eu2 N6 O17 -","- C51 H30 Eu2 N6 O16 -","- C408 H240 Eu16 N48 O128 -","8","1","","Hou, Hongwei; Honghong, Li; Han, Yanbing; Shao, Chao Zhi; Na, Li; Huang, Chao","Water-stable Eu-MOFs fluorescent sensors for trivalent metal ions and the nitrobenzene","Dalton Trans.","2017","","","","","10.1039/C7DT02590D","","","0.71073","MoKα","","0.0446","0.0338","","","0.081","0.0839","","","","","","1.078","","","","has coordinates,has disorder","199869","2020-10-21","18:00:00",""
"7044000","12.362","0.0018","12.362","0.0018","31.321","0.006","90","","90","","120","","4145.2","1.2","100","2","100","","","","","","","","","5","P 3 2 1","P 3 2""","150","","","","- C78 H113 Gd2 N14 O10 -","- C78 H105 Gd2 N14 O6 -","- C156 H210 Gd4 N28 O12 -","2","0.333333","","Craze, Alexander R.; Huang, Xin-Da; Etchells, Isaac; Zheng, Li-Min; Bhadbhade, Mohan; Marjo, Christopher; Clegg, Jack Kay; Moore, Evan G.; Avdeev, Maxim; Lindoy, Leonard F.; Li, Feng","Synthesis and Characterisation of New Tripodal Lanthanide Complexes and Investigation of Their Optical and Magnetic Properties","Dalton Trans.","2017","","","","","10.1039/C7DT02556D","","","0.7108","Synchrotron","","0.1244","0.0762","","","0.1829","0.2115","","","","","","1.056","","","","has coordinates,has disorder","199871","2020-10-21","18:00:00",""
"7044001","12.3876","0.001","12.3876","0.001","31.693","0.003","90","","90","","120","","4211.8","0.6","150.02","","150.02","","","","","","","","","5","P -3 c 1","-P 3 2""c","165","","","","- C39 H60 Dy N7 O6 -","- C39 H54 Dy N7 O3 -","- C156 H216 Dy4 N28 O12 -","4","0.333333","","Craze, Alexander R.; Huang, Xin-Da; Etchells, Isaac; Zheng, Li-Min; Bhadbhade, Mohan; Marjo, Christopher; Clegg, Jack Kay; Moore, Evan G.; Avdeev, Maxim; Lindoy, Leonard F.; Li, Feng","Synthesis and Characterisation of New Tripodal Lanthanide Complexes and Investigation of Their Optical and Magnetic Properties","Dalton Trans.","2017","","","","","10.1039/C7DT02556D","","","0.71073","MoKα","","0.0656","0.0444","","","0.136","0.1601","","","","","","1.328","","","","has coordinates,has disorder","199871","2020-10-21","18:00:00",""
"7044002","13.6115","0.0019","13.6115","0.0019","35.291","0.007","90","","90","","120","","5662.5","1.6","100","2","100.15","","","","","","","","","4","R 3 c :H","R 3 -2""c","161","","","","- C39 H57 N7 O3 -","- C39 H57 N7 O3 -","- C234 H342 N42 O18 -","6","0.333333","","Craze, Alexander R.; Huang, Xin-Da; Etchells, Isaac; Zheng, Li-Min; Bhadbhade, Mohan; Marjo, Christopher; Clegg, Jack Kay; Moore, Evan G.; Avdeev, Maxim; Lindoy, Leonard F.; Li, Feng","Synthesis and Characterisation of New Tripodal Lanthanide Complexes and Investigation of Their Optical and Magnetic Properties","Dalton Trans.","2017","","","","","10.1039/C7DT02556D","","","0.7108","Synchrotron","","0.0474","0.0461","","","0.1367","0.1383","","","","","","1.2796","","","","has coordinates","203907","2020-10-21","18:00:00",""
"7044003","12.3525","0.0017","12.3525","0.0017","31.422","0.006","90","","90","","120","","4152.2","1.1","100","","100","","","","","","","","","5","P -3 c 1","-P 3 2""c","165","","","","- C39 H57 Eu N7 O4.5 -","- C39 H54 Eu N7 O3 -","- C156 H216 Eu4 N28 O12 -","4","0.333333","","Craze, Alexander R.; Huang, Xin-Da; Etchells, Isaac; Zheng, Li-Min; Bhadbhade, Mohan; Marjo, Christopher; Clegg, Jack Kay; Moore, Evan G.; Avdeev, Maxim; Lindoy, Leonard F.; Li, Feng","Synthesis and Characterisation of New Tripodal Lanthanide Complexes and Investigation of Their Optical and Magnetic Properties","Dalton Trans.","2017","","","","","10.1039/C7DT02556D","","","0.7108","Synchrotron","","0.0714","0.0608","","","0.1384","0.1438","","","","","","1.129","","","","has coordinates","199871","2020-10-21","18:00:00",""
"7044004","9.859","0.0011","6.1687","0.0008","22.747","0.002","90","","101.898","0.004","90","","1353.7","0.3","100","2","100","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C20 H30 Cl4 N4 O10 -","- C20 H30 Cl4 N4 O10 -","- C40 H60 Cl8 N8 O20 -","2","0.5","","Jaraquemada-Peláez, María de Guadalupe; Wang, Xiaozhu; Clough, Thomas J.; Cao, Yang; Choudhary, Neha; Emler, Kirsten; Patrick, Brian O.; Orvig, Chris","H4octapa: Synthesis, Solution Equilibria and Complexes with Useful Radiopharmaceutical Metal Ions","Dalton Trans.","2017","","","","","10.1039/C7DT02343J","","x-ray","0.71073","MoKα","","0.0557","0.0423","","","0.1042","0.1107","","","","","","1.026","","","","has coordinates","199872","2020-10-21","18:00:00",""
"7044005","8.703","0.003","16.076","0.006","20.536","0.007","82.406","0.005","84.822","0.005","90.092","0.004","2836.1","1.7","90","2","90","2","","","","","","","","6","P -1","-P 1","2","","","","- C40 H56.29 La2.5 N8 Na0.5 O26.15 -","- C40 H56.2966 La2.5 N8 Na0.5 O26.1483 -","- C80 H112.593 La5 N16 Na O52.2966 -","2","1","","Jaraquemada-Peláez, María de Guadalupe; Wang, Xiaozhu; Clough, Thomas J.; Cao, Yang; Choudhary, Neha; Emler, Kirsten; Patrick, Brian O.; Orvig, Chris","H4octapa: Synthesis, Solution Equilibria and Complexes with Useful Radiopharmaceutical Metal Ions","Dalton Trans.","2017","","","","","10.1039/C7DT02343J","","x-ray","0.71073","MoKα","","0.0914","0.0786","","","0.2064","0.213","","","","","","1.082","","","","has coordinates,has disorder","199872","2020-10-21","18:00:00",""
"7044006","13.268","0.0003","15.1828","0.0003","13.277","0.0003","90","","108.9","0.003","90","","2530.39","0.11","150","0.1","150","0.1","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C28 H36 N2 Si -","- C28 H36 N2 Si -","- C112 H144 N8 Si4 -","4","1","","Hill, Michael; Dutton, Jason Laurence; Wilson, David John; Mahon, Mary F.; Garcia, Lucia; Al Furaiji, Khalidah","Ring Expansion of a Ring Expanded Carbene","Dalton Trans.","2017","","","","","10.1039/C7DT03046K","","x-ray","1.54184","CuKα","","0.0873","0.0791","","","0.2242","0.2308","","","","","","1.068","","","","has coordinates,has disorder","199873","2020-10-21","18:00:00",""
"7044007","15.8057","0.0003","7.6126","0.0001","20.7376","0.0004","90","","90.945","0.002","90","","2494.86","0.08","150","0.1","150","0.1","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C28 H36 N2 Si -","- C28 H36 N2 Si -","- C112 H144 N8 Si4 -","4","1","","Hill, Michael; Dutton, Jason Laurence; Wilson, David John; Mahon, Mary F.; Garcia, Lucia; Al Furaiji, Khalidah","Ring Expansion of a Ring Expanded Carbene","Dalton Trans.","2017","","","","","10.1039/C7DT03046K","","x-ray","0.71073","MoKα","","0.0722","0.047","","","0.1149","0.1261","","","","","","1.041","","","","has coordinates","199873","2020-10-21","18:00:00",""
"7044008","19.6812","0.0006","19.6812","0.0006","6.43784","0.00019","90","","90","","90","","2493.69","0.13","200","","200","","","","","","","","","6","P 4 n c","P 4 -2n","104","","[Pc2Y]BF4","","- C64 H32 B F4 N16 Y -","- C64 H32 B F4 N16 Y -","- C128 H64 B2 F8 N32 Y2 -","2","0.25","","Fukuda, Takamitsu; Onodera, Shun; Watanabe, Hirohito; Shirasaki, Kenji; Fuyuhiro, Akira; Yamamura, Tomoo; Ishikawa, Naoto","Observation of magnetic interactions between localized 4f- and itinerant π-electrons in a single crystal of cationic bisphthalocyanine complexes containing diluted spin centres","Dalton Trans.","2017","","","","","10.1039/C7DT02656K","","","0.71075","MoKα","","0.0352","0.0304","","","0.0788","0.0803","","","","","","1.048","","","","has coordinates","199874","2020-10-21","18:00:00",""
"7044009","19.5834","0.0007","19.5834","0.0007","6.489","0.0002","90","","90","","90","","2488.59","0.15","200","","200","","","","","","","","","7","P 4 n c","P 4 -2n","104","","[Pc2Y0.95Tb0.05]BF4","","- C64 H32 B F4 N16 Tb0.05 Y0.95 -","- C64 H32 B F4 N16 Tb0.05 Y0.95 -","- C128 H64 B2 F8 N32 Tb0.1 Y1.9 -","2","0.25","","Fukuda, Takamitsu; Onodera, Shun; Watanabe, Hirohito; Shirasaki, Kenji; Fuyuhiro, Akira; Yamamura, Tomoo; Ishikawa, Naoto","Observation of magnetic interactions between localized 4f- and itinerant π-electrons in a single crystal of cationic bisphthalocyanine complexes containing diluted spin centres","Dalton Trans.","2017","","","","","10.1039/C7DT02656K","","","0.71075","MoKα","","0.027","0.0244","","","0.0682","0.0694","","","","","","1.066","","","","has coordinates","199874","2020-10-21","18:00:00",""
"7044010","17.4835","0.0005","7.9463","0.0002","18.0503","0.0005","90","","114.592","0.001","90","","2280.25","0.11","100","","100","","","","","","","","n/a","6","P 1 21/n 1","-P 2yn","14","Zinc cyclam tetrafluoroborate","[Zn(cyclam)(2MeCN)](BF4)2","","- C14 H30 B2 F8 N6 Zn -","- C14 H30 B2 F8 N6 Zn -","- C56 H120 B8 F32 N24 Zn4 -","4","1","","Zhanaidarova, Almagul; Steger, Han; Reineke, Mark H.; Kubiak, Clifford P.","Chelated [Zn(cyclam)]2+ Lewis Acid Improves the Reactivity of the Electrochemical Reduction of CO2 by Mn Catalysts with Bulky Bipyridine Ligands","Dalton Trans.","2017","","","","","10.1039/C7DT02620J","","x-ray","1.54178","CuKα","K-L~3~","0.0325","0.0297","","","0.076","0.0781","","","","","","1.028","","","","has coordinates,has disorder","199885","2020-10-21","18:00:00",""
"7044011","12.142","0.0015","12.5243","0.0016","13.6323","0.0017","78.056","0.002","69.652","0.002","79.849","0.002","1889.3","0.4","296","2","296","2","","","","","","","","5","P -1","-P 1","2","","","","- C26 H19 N10 O6 Zn3 -","- C26 H19 N10 O6 Zn3 -","- C52 H38 N20 O12 Zn6 -","2","1","","Yang, Hong-Yun; Li, Yong-Zhi; Shi, Wen-Juan; Hou, Lei; Wang, Yao-Yu; Zhu, Zhonghua","A new layer-stacked porous framework showing sorption selectivity for CO2 and luminescence","Dalton Trans.","2017","","","","","10.1039/C7DT02496G","","","0.71073","MoKα","","0.0927","0.0792","","","0.2439","0.2643","","","","","","1.071","","","","has coordinates","199886","2020-10-21","18:00:00",""
"7044012","9.874","0.0003","13.2443","0.0004","14.6006","0.0004","74.679","0.002","72.764","0.001","69.446","0.001","1679.93","0.09","150","2","150","2","","","","","","","","6","P -1","-P 1","2","3Pd(aa)2*2Pb(hfa)2","tris-(palladium acetylacetonate)bis-(lead hexafluoroacetylacetonate)","","- C12.5 H11.5 F6 O5 Pb0.5 Pd0.75 -","- C12.5 H11.5 F6 O5 Pb0.5 Pd0.75 -","- C50 H46 F24 O20 Pb2 Pd3 -","4","2","","Krisyuk, Vladislav; Baidina, Iraida; Kryuchkova, Natalia; Logvinenko, Vladimir A.; Plyusnin, Pavel; Korolkov, Ilya V.; Zharkova, G. I.; Turgambaeva, Asiya; Igumenov, Igor K.","Volatile heterometallics: structural diversity of palladium-lead β-diketonates and correlation with thermal properties","Dalton Trans.","2017","","","","","10.1039/C7DT02843A","","","0.71073","MoKα","","0.0234","0.0207","","","0.0494","0.0504","","","","","","1.045","","","","has coordinates","199887","2020-10-21","18:00:00",""
"7044013","9.4437","0.0016","11.538","0.002","14.995","0.003","91.519","0.005","91.672","0.005","97.94","0.005","1616.8","0.5","296","2","296","2","","","","","","","","6","P -1","-P 1","2","palladium(II)hexafluoroacetylacetonate-lead(II)hexafluoroacetylacetonate","heterometallic Pd/Pb complex","","- C20 H4 F24 O8 Pb Pd -","- C20 H4 F24 O8 Pb Pd -","- C40 H8 F48 O16 Pb2 Pd2 -","2","1","","Krisyuk, Vladislav; Baidina, Iraida; Kryuchkova, Natalia; Logvinenko, Vladimir A.; Plyusnin, Pavel; Korolkov, Ilya V.; Zharkova, G. I.; Turgambaeva, Asiya; Igumenov, Igor K.","Volatile heterometallics: structural diversity of palladium-lead β-diketonates and correlation with thermal properties","Dalton Trans.","2017","","","","","10.1039/C7DT02843A","","","0.71073","MoKα","","0.1667","0.0575","","","0.1241","0.1508","","","","","","0.871","","","","has coordinates","199887","2020-10-21","18:00:00",""
"7044014","4.2166","0.0002","4.2166","0.0002","24.0406","0.001","90","","90","","120","","370.17","0.03","100","2","100","2","","","","","","","","3","P 63/m m c","-P 6c 2c","194","","","","- Cu6.35 Na Sb3 -","- Cu6.343 Na Sb2.9999 -","- Cu12.686 Na2 Sb5.9998 -","2","0.0833333","","Owens-Baird, Bryan; Lee, Shannon; Kovnir, Kirill","Two-Dimensional Metal NaCu6.3Sb3 and Solid-State Transformations of Sodium Copper Antimonides","Dalton Trans.","2017","","","","","10.1039/C7DT02329D","","","0.71073","MoKα","","0.0223","0.0218","","","0.0485","0.049","","","","","","1.217","","","","has coordinates","199888","2020-10-21","18:00:00",""
"7044015","12.65346","0.00019","15.167","0.0002","18.314","0.0003","110.175","0.0014","102.379","0.0013","96.7444","0.0012","3151.4","0.09","100.01","0.1","100.01","0.1","","","","","","","","4","P -1","-P 1","2","","","","- C34 H43 Br N2 -","- C34 H43 Br N2 -","- C136 H172 Br4 N8 -","4","2","","Ghadwal, Rajendra S.; Ho, Nga Kim; Neumann, Beate; Stammler, Georg; Menezes da Silva, Vitor Hugo; Watanabe, Daniel; Braga, Ataualpa A. C.","Nickel-Catalysed Direct C2-Arylation of N-Heterocyclic Carbene","Dalton Trans.","2017","","","","","10.1039/C7DT03099A","","x-ray","1.54184","CuKα","","0.0512","0.0447","","","0.1301","0.1354","","","","","","1.079","","","","has coordinates,has disorder","199915","2020-10-21","18:00:00",""
"7044016","30.08483","0.00019","8.956","0.00006","22.48986","0.00013","90","","95.3846","0.0006","90","","6032.92","0.07","220","0.1","220","0.1","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C33 H41 Br N2 -","- C33 H41 Br N2 -","- C264 H328 Br8 N16 -","8","1","","Ghadwal, Rajendra S.; Ho, Nga Kim; Neumann, Beate; Stammler, Georg; Menezes da Silva, Vitor Hugo; Watanabe, Daniel; Braga, Ataualpa A. C.","Nickel-Catalysed Direct C2-Arylation of N-Heterocyclic Carbene","Dalton Trans.","2017","","","","","10.1039/C7DT03099A","","x-ray","1.54184","CuKα","","0.0307","0.0302","","","0.0791","0.0795","","","","","","1.049","","","","has coordinates","199915","2020-10-21","18:00:00",""
"7044017","9.07979","0.00011","26.6494","0.0004","13.52664","0.00016","90","","95.0975","0.0011","90","","3260.11","0.07","100.01","0.1","100.01","0.1","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C35 H46 Br N3 -","- C35 H46 Br N3 -","- C140 H184 Br4 N12 -","4","1","","Ghadwal, Rajendra S.; Ho, Nga Kim; Neumann, Beate; Stammler, Georg; Menezes da Silva, Vitor Hugo; Watanabe, Daniel; Braga, Ataualpa A. C.","Nickel-Catalysed Direct C2-Arylation of N-Heterocyclic Carbene","Dalton Trans.","2017","","","","","10.1039/C7DT03099A","","x-ray","0.71073","MoKα","","0.033","0.029","","","0.0705","0.0722","","","","","","1.08","","","","has coordinates","199915","2020-10-21","18:00:00",""
"7044018","22.2529","0.0004","17.8637","0.0004","18.7897","0.0003","90","","103.208","0.0018","90","","7271.7","0.2","100.01","0.11","100.01","0.11","","","","","","","","5","I 1 2/a 1","-I 2ya","15","","","","- C68 H86 Br4 N4 Ni -","- C68 H86 Br4 N4 Ni -","- C272 H344 Br16 N16 Ni4 -","4","0.5","","Ghadwal, Rajendra S.; Ho, Nga Kim; Neumann, Beate; Stammler, Georg; Menezes da Silva, Vitor Hugo; Watanabe, Daniel; Braga, Ataualpa A. C.","Nickel-Catalysed Direct C2-Arylation of N-Heterocyclic Carbene","Dalton Trans.","2017","","","","","10.1039/C7DT03099A","","x-ray","0.71073","MoKα","","0.057","0.039","","","0.0909","0.0963","","","","","","1.049","","","","has coordinates","199915","2020-10-21","18:00:00",""
"7044019","12.2492","0.0002","12.9626","0.0002","15.7524","0.0003","82.7553","0.0015","77.85","0.0015","65.2414","0.0018","2218.37","0.07","100","0.11","100","0.11","","","","","","","","5","P -1","-P 1","2","","","","- C49 H61 Br Cu N3 -","- C49 H61 Br Cu N3 -","- C98 H122 Br2 Cu2 N6 -","2","1","","Ghadwal, Rajendra S.; Ho, Nga Kim; Neumann, Beate; Stammler, Georg; Menezes da Silva, Vitor Hugo; Watanabe, Daniel; Braga, Ataualpa A. C.","Nickel-Catalysed Direct C2-Arylation of N-Heterocyclic Carbene","Dalton Trans.","2017","","","","","10.1039/C7DT03099A","","x-ray","0.71073","MoKα","","0.0614","0.0495","","","0.1332","0.1403","","","","","","1.044","","","","has coordinates,has disorder","199915","2020-10-21","18:00:00",""
"7044020","13.3667","0.0004","9.8584","0.0003","16.0849","0.0005","90","","95.518","0.001","90","","2109.75","0.11","100","2","100","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C42 H48 Cl2 N14 Th2 -","- C42 H48 Cl2 N14 Th2 -","- C84 H96 Cl4 N28 Th4 -","2","0.5","","Hohloch, Stephan; Pankhurst, James R.; Jaekel, Esther E.; Parker, Bernard F.; Lussier, Daniel J.; Garner, Mary E.; Booth, Corwin H.; Love, Jason B.; Arnold, John","Benzoquinonoid-bridged dinuclear actinide complexes","Dalton Trans.","2017","","","","","10.1039/C7DT02728A","","","0.71073","MoKα","","0.0249","0.0222","","","0.0532","0.0547","","","","","","1.078","","","","has coordinates","199917","2020-10-21","18:00:00",""
"7044021","13.6661","0.0009","9.5267","0.0006","16.5783","0.0011","90","","94.929","0.003","90","","2150.4","0.2","100","2","100","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C42 H48 I2 N14 U2 -","- C42 H48 I2 N14 U2 -","- C84 H96 I4 N28 U4 -","2","0.5","","Hohloch, Stephan; Pankhurst, James R.; Jaekel, Esther E.; Parker, Bernard F.; Lussier, Daniel J.; Garner, Mary E.; Booth, Corwin H.; Love, Jason B.; Arnold, John","Benzoquinonoid-bridged dinuclear actinide complexes","Dalton Trans.","2017","","","","","10.1039/C7DT02728A","","","0.71073","MoKα","","0.0363","0.033","","","0.0869","0.0897","","","","","","1.099","","","","has coordinates","199917","2020-10-21","18:00:00",""
"7044022","12.6307","0.0006","14.3188","0.0006","18.4904","0.0008","90.085","0.002","104.405","0.002","90.472","0.002","3238.8","0.3","100","2","100","2","","","","","","","","6","P -1","-P 1","2","","","","- C31 H44 I N7 O2.5 U -","- C31 H44 I N7 O2.5 U -","- C124 H176 I4 N28 O10 U4 -","4","2","","Hohloch, Stephan; Pankhurst, James R.; Jaekel, Esther E.; Parker, Bernard F.; Lussier, Daniel J.; Garner, Mary E.; Booth, Corwin H.; Love, Jason B.; Arnold, John","Benzoquinonoid-bridged dinuclear actinide complexes","Dalton Trans.","2017","","","","","10.1039/C7DT02728A","","","0.71073","MoKα","","0.0884","0.0513","","","0.1001","0.1109","","","","","","0.987","","","","has coordinates","202518","2020-10-21","18:00:00",""
"7044023","9.5899","0.0006","20.9064","0.0013","28.9404","0.0017","90","","90","","90","","5802.3","0.6","100","2","100","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C62 H64 N16 O4 U2 -","- C62 H64 N16 O4 U2 -","- C248 H256 N64 O16 U8 -","4","0.5","","Hohloch, Stephan; Pankhurst, James R.; Jaekel, Esther E.; Parker, Bernard F.; Lussier, Daniel J.; Garner, Mary E.; Booth, Corwin H.; Love, Jason B.; Arnold, John","Benzoquinonoid-bridged dinuclear actinide complexes","Dalton Trans.","2017","","","","","10.1039/C7DT02728A","","","0.71073","MoKα","","0.0714","0.0454","","","0.0971","0.108","","","","","","1.044","","","","has coordinates","199917","2020-10-21","18:00:00",""
"7044024","27.6164","0.0006","16.1837","0.0003","22.0451","0.0005","90","","127.69","0.001","90","","7796.8","0.3","100","2","100","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C72 H84 N16 O2 Th2 -","- C72 H84 N16 O2 Th2 -","- C288 H336 N64 O8 Th8 -","4","0.5","","Hohloch, Stephan; Pankhurst, James R.; Jaekel, Esther E.; Parker, Bernard F.; Lussier, Daniel J.; Garner, Mary E.; Booth, Corwin H.; Love, Jason B.; Arnold, John","Benzoquinonoid-bridged dinuclear actinide complexes","Dalton Trans.","2017","","","","","10.1039/C7DT02728A","","","0.71073","MoKα","","0.0672","0.0423","","","0.0858","0.0934","","","","","","1.005","","","","has coordinates","199917","2020-10-21","18:00:00",""
"7044025","15.2776","0.0014","13.533","0.0015","18.313","0.0014","90","","90.453","0.005","90","","3786.1","0.6","100","2","100","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C78 H90 N16 O8 Th2 -","- C78 H90 N16 O8 Th2 -","- C156 H180 N32 O16 Th4 -","2","0.5","","Hohloch, Stephan; Pankhurst, James R.; Jaekel, Esther E.; Parker, Bernard F.; Lussier, Daniel J.; Garner, Mary E.; Booth, Corwin H.; Love, Jason B.; Arnold, John","Benzoquinonoid-bridged dinuclear actinide complexes","Dalton Trans.","2017","","","","","10.1039/C7DT02728A","","","0.71073","MoKα","","0.0476","0.0379","","","0.087","0.0918","","","","","","1.051","","","","has coordinates,has disorder","199917","2020-10-21","18:00:00",""
"7044026","10.1836","0.0003","13.3551","0.0004","17.9008","0.0005","110.811","0.001","91.963","0.001","100.295","0.001","2226.41","0.11","100","2","100","2","","","","","","","","6","P -1","-P 1","2","","","","- C90 H120 K N16 O14 U2 -","- C90 H120 K N16 O14 U2 -","- C90 H120 K N16 O14 U2 -","1","0.5","","Hohloch, Stephan; Pankhurst, James R.; Jaekel, Esther E.; Parker, Bernard F.; Lussier, Daniel J.; Garner, Mary E.; Booth, Corwin H.; Love, Jason B.; Arnold, John","Benzoquinonoid-bridged dinuclear actinide complexes","Dalton Trans.","2017","","","","","10.1039/C7DT02728A","","","0.71073","MoKα","","0.0415","0.0374","","","0.0934","0.0958","","","","","","1.056","","","","has coordinates","199917","2020-10-21","18:00:00",""
"7044027","9.9813","0.0002","14.31","0.0004","15.7212","0.0004","90","","96.972","0.002","90","","2228.89","0.1","173","2","173","2","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C13 H23 Cu F6 N3 O6 S2 -","- C13 H23 Cu F6 N3 O6 S2 -","- C52 H92 Cu4 F24 N12 O24 S8 -","4","1","","Kuzmina, Olga; Hassan, Hasyareeda; Patel, Laura; Ashworth, Claire; Bakis, Eduards; White, Andrew J. P.; Hunt, Patricia; Welton, Tom","The impact of ionic liquids on the coordination of anions with solvatochromic copper complexes","Dalton Trans.","2017","","","","","10.1039/C7DT02372C","","","0.71073","MoKα","","0.0437","0.0326","","","0.0727","0.0789","","","","","","1.039","","","","has coordinates","199919","2020-10-21","18:00:00",""
"7044028","8.2712","0.0006","30.314","0.002","13.759","0.003","90","","105.934","0.011","90","","3317.3","0.8","173","2","173","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C11 H25 Cu N3 O6 -","- C11 H25 Cu N3 O6 -","- C88 H200 Cu8 N24 O48 -","8","2","","Kuzmina, Olga; Hassan, Hasyareeda; Patel, Laura; Ashworth, Claire; Bakis, Eduards; White, Andrew J. P.; Hunt, Patricia; Welton, Tom","The impact of ionic liquids on the coordination of anions with solvatochromic copper complexes","Dalton Trans.","2017","","","","","10.1039/C7DT02372C","","","0.71073","MoKα","","0.0473","0.0318","","","0.0726","0.0757","","","","","","1.033","","","","has coordinates","199919","2020-10-21","18:00:00",""
"7044029","8.88","0.0014","13.92","0.002","14.969","0.003","93.461","0.015","98.617","0.015","91.736","0.013","1824.6","0.5","173","2","173","2","","","","","","","","7","P -1","-P 1","2","","","","- C12 H23 Cu F3 N2 O5 S -","- C12 H23 Cu F3 N2 O5 S -","- C48 H92 Cu4 F12 N8 O20 S4 -","4","2","","Kuzmina, Olga; Hassan, Hasyareeda; Patel, Laura; Ashworth, Claire; Bakis, Eduards; White, Andrew J. P.; Hunt, Patricia; Welton, Tom","The impact of ionic liquids on the coordination of anions with solvatochromic copper complexes","Dalton Trans.","2017","","","","","10.1039/C7DT02372C","","","1.54184","CuKα","","0.0398","0.0302","","","0.0782","0.0803","","","","","","0.974","","","","has coordinates","199919","2020-10-21","18:00:00",""
"7044030","8.64296","0.00015","8.32174","0.00017","24.604","0.0005","90","","90.6569","0.0017","90","","1769.51","0.06","173","2","173","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C11 H27 Cu N3 O7 -","- C11 H27 Cu N3 O7 -","- C44 H108 Cu4 N12 O28 -","4","2","","Kuzmina, Olga; Hassan, Hasyareeda; Patel, Laura; Ashworth, Claire; Bakis, Eduards; White, Andrew J. P.; Hunt, Patricia; Welton, Tom","The impact of ionic liquids on the coordination of anions with solvatochromic copper complexes","Dalton Trans.","2017","","","","","10.1039/C7DT02372C","","","0.71073","MoKα","","0.0395","0.028","","","0.0577","0.0594","","","","","","0.931","","","","has coordinates,has disorder","199919","2020-10-21","18:00:00",""
"7044031","21.595","0.004","21.595","0.004","7.5707","0.0013","90","","90","","90","","3530.6","1.1","298","","298","","","","","","","","","6","P 42/n :2","-P 4bc","86","","","","- C90 H52 Br2 Fe2 N18 P -","- C90 H52 Br2 Fe2 N18 P -","- C180 H104 Br4 Fe4 N36 P2 -","2","0.25","","Matsuda, Masaki; Iwamura, Sayaka; Hamada, Yumi; Ohishi, Hiroko; Nishi, Miki; Nogami, Yoshio; Ikeda, Mitsuo; Kanda, Akinori; Funasako, Yusuke; Mochida, Tomoyuki; Nakao, Akiko; Hanasaki, Noriaki","A new strategy for inducing dipole moments in charge-transfer complexes: introduction of asymmetry into axially ligated iron phthalocyanines","Dalton Trans.","2017","","","","","10.1039/C7DT02605F","","","0.71073","MoKα","","0.0593","0.0536","","","0.1489","0.1525","","","","","","1.108","","","","has coordinates,has disorder","199920","2020-10-21","18:00:00",""
"7044032","21.616","0.003","21.616","0.003","7.5069","0.0011","90","","90","","90","","3507.6","0.9","273","2","273","2","","","","","","","","6","P 42/n","-P 4bc","86","","","","- C90 H52 Cl2 Fe2 N18 P -","- C90 H52 Cl2 Fe2 N18 P -","- C180 H104 Cl4 Fe4 N36 P2 -","2","","","Matsuda, Masaki; Iwamura, Sayaka; Hamada, Yumi; Ohishi, Hiroko; Nishi, Miki; Nogami, Yoshio; Ikeda, Mitsuo; Kanda, Akinori; Funasako, Yusuke; Mochida, Tomoyuki; Nakao, Akiko; Hanasaki, Noriaki","A new strategy for inducing dipole moments in charge-transfer complexes: introduction of asymmetry into axially ligated iron phthalocyanines","Dalton Trans.","2017","","","","","10.1039/C7DT02605F","","","0.71073","MoKα","","0.038","0.0326","","","0.093","0.0979","","","","","","0.998","","","","has coordinates","199920","2020-10-21","18:00:00",""
"7044033","21.551","0.013","21.551","","7.586","0.005","90","","90","","90","","3523","3","273","2","273","2","","","","","","","","7","P 42/n","-P 4bc","86","","","","- C88 H52 Br2 Cl2 Fe2 N16 P -","- C88 H52 Br2 Cl2 Fe2 N16 P -","- C176 H104 Br4 Cl4 Fe4 N32 P2 -","2","","","Matsuda, Masaki; Iwamura, Sayaka; Hamada, Yumi; Ohishi, Hiroko; Nishi, Miki; Nogami, Yoshio; Ikeda, Mitsuo; Kanda, Akinori; Funasako, Yusuke; Mochida, Tomoyuki; Nakao, Akiko; Hanasaki, Noriaki","A new strategy for inducing dipole moments in charge-transfer complexes: introduction of asymmetry into axially ligated iron phthalocyanines","Dalton Trans.","2017","","","","","10.1039/C7DT02605F","","","0.71073","MoKα","","0.0437","0.0337","","","0.0924","0.0981","","","","","","0.974","","","","has coordinates","199920","2020-10-21","18:00:00",""
"7044034","8.2442","0.0002","10.5297","0.0003","36.7654","0.001","82.5934","0.001","87.0204","0.0009","89.6139","0.001","3160.66","0.15","200","2","200","2","","","","","","","","6","P -1","-P 1","2","","Boron difluoride complex of 5-(octyloxy)-2-(6-(dodecyloxy)benzo[d]oxazol-2-yl)phenol","","- C33 H48 B F2 N O4 -","- C33 H48 B F2 N O4 -","- C132 H192 B4 F8 N4 O16 -","4","2","","Lai, Chung K.; Chen, Ya-Wen; Lee, Gene-Hsiang","Fluorescent mesogenic boron difluoride complexes derived from heterocyclic benzoxazoles","Dalton Trans.","2017","","","","","10.1039/C7DT02937C","","","1.54178","CuKα","","0.1385","0.0868","","","0.2831","0.3079","","","","","","1.11","","","","has coordinates","199996","2020-10-21","18:00:00",""
"7044035","13.251","0.002","13.8014","0.0017","20.973","0.003","91.438","0.01","94.858","0.012","103.183","0.012","3717.2","0.9","293","2","293","2","","","","","","","","6","P -1","-P 1","2","","","","- C76 H80 Cu2 O12 P4 S -","- C76 H64 Cu2 O12 P4 S -","- C152 H128 Cu4 O24 P8 S2 -","2","1","","Sareen, Neha; Singh, Anoop S.; TIWARI, Vinod K K; Kant, Rajni; Bhattacharya, Subrato","A dinuclear copper(I) thiodiacetate complex as an efficient and reusable ‘click’ catalyst for the synthesis of glycoconjugates","Dalton Trans.","2017","","","","","10.1039/C7DT02346D","","","0.71073","MoKα","","0.1634","0.065","","","0.1371","0.1861","","","","","","0.938","","","","has coordinates,has disorder","199997","2020-10-21","18:00:00",""
"7044036","10.5501","0.0005","15.2993","0.0007","13.2627","0.0006","90","","93.3664","0.0009","90","","2137.03","0.17","100","2","100","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C21 H28 Cd N2 O6 -","- C21 H28 Cd N2 O6 -","- C84 H112 Cd4 N8 O24 -","4","1","","Rosales-Vazquez, Luis D; Sanchez, Victor; Dorazco-Gonzalez, Alejandro; Martínez-Otero, Diego; Garcia-Orozco, Ivan; Morales, Raul Alberto; Jaramillo-Garcia, Jonathan; Tellez-Lopez, Antonio","Cadmium—1,4-Cyclohexanedicarboxylato Coordination Polymers Bearing Different Di-alkyl-2,2’-bipyridines: Syntheses, Crystal Structures and Photoluminescence Studies","Dalton Trans.","2017","","","","","10.1039/C7DT02376F","","","0.71073","MoKα","","0.0196","0.0181","","","0.043","0.0438","","","","","","1.035","","","","has coordinates","199998","2020-10-21","18:00:00",""
"7044037","10.9591","0.0004","11.3715","0.0004","16.5949","0.0005","89.2412","0.0006","73.2173","0.0005","84.5276","0.0006","1970.75","0.12","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","","","- C40 H48 Cd2 N4 O10 -","- C40 H48 Cd2 N4 O10 -","- C80 H96 Cd4 N8 O20 -","2","1","","Rosales-Vazquez, Luis D; Sanchez, Victor; Dorazco-Gonzalez, Alejandro; Martínez-Otero, Diego; Garcia-Orozco, Ivan; Morales, Raul Alberto; Jaramillo-Garcia, Jonathan; Tellez-Lopez, Antonio","Cadmium—1,4-Cyclohexanedicarboxylato Coordination Polymers Bearing Different Di-alkyl-2,2’-bipyridines: Syntheses, Crystal Structures and Photoluminescence Studies","Dalton Trans.","2017","","","","","10.1039/C7DT02376F","","","0.71073","MoKα","","0.0252","0.0224","","","0.0529","0.0544","","","","","","1.066","","","","has coordinates","199998","2020-10-21","18:00:00",""
"7044038","10.3522","0.0006","11.1636","0.0006","12.9507","0.0007","71.9869","0.001","70.4676","0.001","82.4361","0.0011","1340.75","0.13","296","2","296","2","","","","","","","","5","P -1","-P 1","2","","","","- C27 H38 Cd N2 O5 -","- C27 H38 Cd N2 O5 -","- C54 H76 Cd2 N4 O10 -","2","1","","Rosales-Vazquez, Luis D; Sanchez, Victor; Dorazco-Gonzalez, Alejandro; Martínez-Otero, Diego; Garcia-Orozco, Ivan; Morales, Raul Alberto; Jaramillo-Garcia, Jonathan; Tellez-Lopez, Antonio","Cadmium—1,4-Cyclohexanedicarboxylato Coordination Polymers Bearing Different Di-alkyl-2,2’-bipyridines: Syntheses, Crystal Structures and Photoluminescence Studies","Dalton Trans.","2017","","","","","10.1039/C7DT02376F","","","0.71073","MoKα","","0.0264","0.0254","","","0.0724","0.0734","","","","","","1.071","","","","has coordinates,has disorder","199998","2020-10-21","18:00:00",""
"7044039","6.7908","0.0003","18.9259","0.0008","14.822","0.0007","90","","97.0738","0.0011","90","","1890.45","0.15","296","2","296","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C18 H22 Cd N2 O6 -","- C18 H22 Cd N2 O6 -","- C72 H88 Cd4 N8 O24 -","4","1","","Rosales-Vazquez, Luis D; Sanchez, Victor; Dorazco-Gonzalez, Alejandro; Martínez-Otero, Diego; Garcia-Orozco, Ivan; Morales, Raul Alberto; Jaramillo-Garcia, Jonathan; Tellez-Lopez, Antonio","Cadmium—1,4-Cyclohexanedicarboxylato Coordination Polymers Bearing Different Di-alkyl-2,2’-bipyridines: Syntheses, Crystal Structures and Photoluminescence Studies","Dalton Trans.","2017","","","","","10.1039/C7DT02376F","","","0.71073","MoKα","","0.0278","0.0246","","","0.066","0.0684","","","","","","1.087","","","","has coordinates,has disorder","199998","2020-10-21","18:00:00",""
"7044040","10.455","0.0005","11.6723","0.0006","17.9485","0.0009","90","","93.736","0.0007","90","","2185.67","0.19","150","2","150","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C42 H70 Mg2 N2 O6 -","- C42 H70 Mg2 N2 O6 -","- C84 H140 Mg4 N4 O12 -","2","0.5","","Nifant'ev, Ilya E.; Shlyahtin, Andrei V.; Bagrov, Vladimir V.; Minyaev, Mikhail M.; Churakov, Andrei; Karchevsky, Stanislav G.; Birin, Kirill P.; Ivchenko, Pavel V.","Mono-BHT heteroleptic magnesium complexes: synthesis, molecular structure and catalytic behavior in the ring-opening polymerization of cyclic esters","Dalton Trans.","2017","","","","","10.1039/C7DT02469J","","","0.71073","MoKα","","0.0517","0.0419","","","0.1147","0.1224","","","","","","1.033","","","","has coordinates","199999","2020-10-21","18:00:00",""
"7044041","11.3771","0.0006","11.1182","0.0005","23.0252","0.0011","90","","101.382","0.001","90","","2855.2","0.2","150","2","150","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C58 H88 Mg2 O6 -","- C58 H88 Mg2 O6 -","- C116 H176 Mg4 O12 -","2","0.5","","Nifant'ev, Ilya E.; Shlyahtin, Andrei V.; Bagrov, Vladimir V.; Minyaev, Mikhail M.; Churakov, Andrei; Karchevsky, Stanislav G.; Birin, Kirill P.; Ivchenko, Pavel V.","Mono-BHT heteroleptic magnesium complexes: synthesis, molecular structure and catalytic behavior in the ring-opening polymerization of cyclic esters","Dalton Trans.","2017","","","","","10.1039/C7DT02469J","","","0.71073","MoKα","","0.0534","0.0393","","","0.1009","0.1106","","","","","","1.021","","","","has coordinates","199999","2020-10-21","18:00:00",""
"7044042","20.396","0.003","44.791","0.007","11.0745","0.0018","90","","90","","90","","10117","3","180","2","180","2","","","","","","","","4","P n m a","-P 2ac 2n","62","","","","- C52 H76 Mg2 O6 -","- C52 H76 Mg2 O6 -","- C416 H608 Mg16 O48 -","8","1","","Nifant'ev, Ilya E.; Shlyahtin, Andrei V.; Bagrov, Vladimir V.; Minyaev, Mikhail M.; Churakov, Andrei; Karchevsky, Stanislav G.; Birin, Kirill P.; Ivchenko, Pavel V.","Mono-BHT heteroleptic magnesium complexes: synthesis, molecular structure and catalytic behavior in the ring-opening polymerization of cyclic esters","Dalton Trans.","2017","","","","","10.1039/C7DT02469J","","","0.71073","MoKα","","0.0832","0.0628","","","0.1644","0.1802","","","","","","1.03","","","","has coordinates,has disorder","199999","2020-10-21","18:00:00",""
"7044043","14.3828","0.0007","16.4536","0.0008","15.7807","0.0008","90","","102.656","0.0008","90","","3643.7","0.3","150","2","150","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C34 H58 Mg O4 S2 -","- C34 H58 Mg O4 S2 -","- C136 H232 Mg4 O16 S8 -","4","1","","Nifant'ev, Ilya E.; Shlyahtin, Andrei V.; Bagrov, Vladimir V.; Minyaev, Mikhail M.; Churakov, Andrei; Karchevsky, Stanislav G.; Birin, Kirill P.; Ivchenko, Pavel V.","Mono-BHT heteroleptic magnesium complexes: synthesis, molecular structure and catalytic behavior in the ring-opening polymerization of cyclic esters","Dalton Trans.","2017","","","","","10.1039/C7DT02469J","","","0.71073","MoKα","","0.054","0.0447","","","0.1145","0.1221","","","","","","1.032","","","","has coordinates,has disorder","199999","2020-10-21","18:00:00",""
"7044044","23.5726","0.0012","15.9574","0.0008","16.2479","0.0008","90","","112.169","0.0007","90","","5660","0.5","150","2","150","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C54 H94 Mg2 N2 O9 -","- C54 H94 Mg2 N2 O9 -","- C216 H376 Mg8 N8 O36 -","4","0.5","","Nifant'ev, Ilya E.; Shlyahtin, Andrei V.; Bagrov, Vladimir V.; Minyaev, Mikhail M.; Churakov, Andrei; Karchevsky, Stanislav G.; Birin, Kirill P.; Ivchenko, Pavel V.","Mono-BHT heteroleptic magnesium complexes: synthesis, molecular structure and catalytic behavior in the ring-opening polymerization of cyclic esters","Dalton Trans.","2017","","","","","10.1039/C7DT02469J","","","0.71073","MoKα","","0.0749","0.0582","","","0.1679","0.1837","","","","","","1.047","","","","has coordinates","199999","2020-10-21","18:00:00",""
"7044045","10.4071","0.0012","15.6408","0.0018","11.4503","0.0013","90","","100.837","0.002","90","","1830.6","0.4","150","2","150","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C38 H62 Mg O4 -","- C38 H62 Mg O4 -","- C76 H124 Mg2 O8 -","2","1","","Nifant'ev, Ilya E.; Shlyahtin, Andrei V.; Bagrov, Vladimir V.; Minyaev, Mikhail M.; Churakov, Andrei; Karchevsky, Stanislav G.; Birin, Kirill P.; Ivchenko, Pavel V.","Mono-BHT heteroleptic magnesium complexes: synthesis, molecular structure and catalytic behavior in the ring-opening polymerization of cyclic esters","Dalton Trans.","2017","","","","","10.1039/C7DT02469J","","","0.71073","MoKα","","0.0422","0.036","","","0.0864","0.0904","","","","","","1.027","","","","has coordinates,has disorder","199999","2020-10-21","18:00:00",""
"7044046","15.7519","0.0016","26.94","0.003","17.4774","0.0018","90","","104.308","0.002","90","","7186.6","1.3","150","2","150","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C67 H115 Mg2 O16 -","- C67 H115 Mg2 O16 -","- C268 H460 Mg8 O64 -","4","1","","Nifant'ev, Ilya E.; Shlyahtin, Andrei V.; Bagrov, Vladimir V.; Minyaev, Mikhail M.; Churakov, Andrei; Karchevsky, Stanislav G.; Birin, Kirill P.; Ivchenko, Pavel V.","Mono-BHT heteroleptic magnesium complexes: synthesis, molecular structure and catalytic behavior in the ring-opening polymerization of cyclic esters","Dalton Trans.","2017","","","","","10.1039/C7DT02469J","","","0.71073","MoKα","","0.098","0.0737","","","0.2035","0.2233","","","","","","1.029","","","","has coordinates,has disorder","199999","2020-10-21","18:00:00",""
"7044047","22.1915","0.0012","9.8778","0.0006","26.2892","0.0015","90","","91.322","0.001","90","","5761.1","0.6","150","2","150","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C46 H76 Mg2 O10 -","- C46 H76 Mg2 O10 -","- C184 H304 Mg8 O40 -","4","1","","Nifant'ev, Ilya E.; Shlyahtin, Andrei V.; Bagrov, Vladimir V.; Minyaev, Mikhail M.; Churakov, Andrei; Karchevsky, Stanislav G.; Birin, Kirill P.; Ivchenko, Pavel V.","Mono-BHT heteroleptic magnesium complexes: synthesis, molecular structure and catalytic behavior in the ring-opening polymerization of cyclic esters","Dalton Trans.","2017","","","","","10.1039/C7DT02469J","","","0.71073","MoKα","","0.08","0.0594","","","0.1627","0.1757","","","","","","1.042","","","","has coordinates,has disorder","199999","2020-10-21","18:00:00",""
"7044048","7.6605","0.0016","11.777","0.002","27.694","0.006","90","","92.67","0.003","90","","2495.8","0.9","120","2","120","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C21 H42 N Ni P3 -","- C21 H42 N Ni P3 -","- C84 H168 N4 Ni4 P12 -","4","1","","Kessler, Julie A.; Iluc, Vlad M.","Ni(II) Phosphine and Phosphide Complexes Supported by a PNP-Pyrrole Pincer Ligand","Dalton Trans.","2017","","","","","10.1039/C7DT02784B","","","0.71073","MoKα","","0.0651","0.0417","","","0.0878","0.094","","","","","","1.023","","","","has coordinates","200000","2020-10-21","18:00:00",""
"7044049","16.313","0.002","10.541","0.0016","19.493","0.003","90","","94.416","0.002","90","","3342","0.8","120","2","120","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C30 H45 F6 N Ni P4 -","- C30 H45 F6 N Ni P4 -","- C120 H180 F24 N4 Ni4 P16 -","4","1","","Kessler, Julie A.; Iluc, Vlad M.","Ni(II) Phosphine and Phosphide Complexes Supported by a PNP-Pyrrole Pincer Ligand","Dalton Trans.","2017","","","","","10.1039/C7DT02784B","","","0.71073","MoKα","","0.0314","0.025","","","0.0588","0.0608","","","","","","1.038","","","","has coordinates","200000","2020-10-21","18:00:00",""
"7044050","9.2144","0.0008","9.2591","0.0008","19.2579","0.0016","86.08","0.003","84.872","0.003","63.32","0.002","1461.5","0.2","120","2","120","2","","","","","","","","5","P -1","-P 1","2","","","","- C30 H44 N Ni P3 -","- C30 H44 N Ni P3 -","- C60 H88 N2 Ni2 P6 -","2","1","","Kessler, Julie A.; Iluc, Vlad M.","Ni(II) Phosphine and Phosphide Complexes Supported by a PNP-Pyrrole Pincer Ligand","Dalton Trans.","2017","","","","","10.1039/C7DT02784B","","","0.71073","MoKα","","0.0258","0.0234","","","0.0588","0.0598","","","","","","1.05","","","","has coordinates","200000","2020-10-21","18:00:00",""
"7044051","14.4915","0.0006","15.0549","0.0006","16.2395","0.0006","109.95","0.002","107.078","0.002","107.074","0.002","2861.4","0.2","120","2","120","2","","","","","","","","7","P -1","-P 1","2","","","","- C21 H43 F6 N Ni O3 P4 -","- C21 H43 F6 N Ni O3 P4 -","- C84 H172 F24 N4 Ni4 O12 P16 -","4","2","","Kessler, Julie A.; Iluc, Vlad M.","Ni(II) Phosphine and Phosphide Complexes Supported by a PNP-Pyrrole Pincer Ligand","Dalton Trans.","2017","","","","","10.1039/C7DT02784B","","","0.71073","MoKα","","0.062","0.0358","","","0.0735","0.0803","","","","","","1.096","","","","has coordinates","200000","2020-10-21","18:00:00",""
"7044052","8.285","0.0017","15.792","0.003","21.433","0.004","90","","94.379","0.003","90","","2796","0.9","120","2","120","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C21 H43 F6 N Ni P4 -","- C21 H43 F6 N Ni P4 -","- C84 H172 F24 N4 Ni4 P16 -","4","1","","Kessler, Julie A.; Iluc, Vlad M.","Ni(II) Phosphine and Phosphide Complexes Supported by a PNP-Pyrrole Pincer Ligand","Dalton Trans.","2017","","","","","10.1039/C7DT02784B","","","0.71073","MoKα","","0.0839","0.0649","","","0.1642","0.1713","","","","","","1.081","","","","has coordinates","200000","2020-10-21","18:00:00",""
"7044053","10.2805","0.0005","10.3894","0.001","10.8179","0.0006","99.873","0.001","111.348","0.001","98.636","0.001","1031.38","0.13","296","2","296","2","","","","","","","","5","P -1","-P 1","2","","cis-Platinum, [1-[(phenylimino-kN)methyl]-2-naphthalenolato-kO][2-(1-pirazolyl-kN)]phenyl-kC]-","","- C26 H19 N3 O Pt -","- C26 H19 N3 O Pt -","- C52 H38 N6 O2 Pt2 -","2","1","","Poma, Alessandro; Forni, Alessandra; Baldoli, Clara; Mussini, Patrizia Romana; Bossi, Alberto","Cyclometalated Pt(II) complex with bidentate Schiff-base ligand displaying unexpected cis/trans isomery: synthesis, structures and electronic properties.","Dalton Trans.","2017","","","","","10.1039/C7DT02323E","","","0.71073","MoKα","","0.0213","0.0179","","","0.0432","0.0444","","","","","","1.068","","","","has coordinates","200015","2020-10-21","18:00:00",""
"7044054","6.0323","0.0002","17.1459","0.0006","20.2051","0.0008","103.023","0.002","90.698","0.002","90.502","0.002","2035.75","0.13","103","2","103","2","","","","","","","","5","P -1","-P 1","2","","trans-Platinum, [1-[(phenylimino-kN)methyl]-2-naphthalenolato-kO][2-(1-pirazolyl-kN)]phenyl-kC]-","","- C26 H19 N3 O Pt -","- C26 H19 N3 O Pt -","- C104 H76 N12 O4 Pt4 -","4","2","","Poma, Alessandro; Forni, Alessandra; Baldoli, Clara; Mussini, Patrizia Romana; Bossi, Alberto","Cyclometalated Pt(II) complex with bidentate Schiff-base ligand displaying unexpected cis/trans isomery: synthesis, structures and electronic properties.","Dalton Trans.","2017","","","","","10.1039/C7DT02323E","","","0.71073","MoKα","","0.0673","0.0324","","","0.0437","0.0504","","","","","","0.988","","","","has coordinates","200015","2020-10-21","18:00:00",""
"7044055","5.3145","0.0015","5.3145","0.0015","25.494","0.007","90","","90","","120","","623.6","0.3","293","2","293","2","","","","","","","","5","R 3 m :H","R 3 -2""","160","","","","- Co2 H3 O9 P3 Pb -","- Co2 H3 O9 P3 Pb -","- Co6 H9 O27 P9 Pb3 -","3","0.166667","","Kovrugin, Vadim M.; Colmont, Marie; Siidra, Oleg I.; Krivovichev, Sergey V.; Colis, Silviu; Mentré, Olivier","The First Lead Cobalt Phosphite, PbCo2(HPO3)3","Dalton Trans.","2017","","","","","10.1039/C7DT02279D","","","0.71073","MoKα","","0.0147","0.0147","","","0.0298","0.0298","","","","","","1.034","","","","has coordinates","200016","2020-10-21","18:00:00",""
"7044056","10.0285","0.0004","11.133","0.0004","20.9525","0.0007","75.286","0.003","87.757","0.003","77.594","0.003","2209.45","0.15","293","2","293","2","","","","","","","","6","P -1","-P 1","2","","","","- C50 H36 Mg1.13 N2 O13 Zn1.87 -","- C50 H36 Mg1.127 N2 O13 Zn1.873 -","- C100 H72 Mg2.254 N4 O26 Zn3.746 -","2","1","","Wu, Zhao-Feng; Huang, Xiao-ying","A series of Mg-Zn heterometallic coordination polymers: Synthesis, characterization and fluorescence sensing for Fe3+, CS2 and nitroaromatic compounds","Dalton Trans.","2017","","","","","10.1039/C7DT02800H","","","0.71073","MoKα","","0.0554","0.0396","","","0.0909","0.0987","","","","","","1.01","","","","has coordinates,has disorder","200017","2020-10-21","18:00:00",""
"7044057","8.0681","0.0005","9.845","0.0006","13.7857","0.0009","78.923","0.005","80.572","0.006","78.581","0.005","1044.29","0.12","295","2","295","2","","","","","","","","5","P -1","-P 1","2","","","","- C18 H18 Mg O11 Zn -","- C18 H18 Mg O11 Zn -","- C36 H36 Mg2 O22 Zn2 -","2","1","","Wu, Zhao-Feng; Huang, Xiao-ying","A series of Mg-Zn heterometallic coordination polymers: Synthesis, characterization and fluorescence sensing for Fe3+, CS2 and nitroaromatic compounds","Dalton Trans.","2017","","","","","10.1039/C7DT02800H","","","0.71073","MoKα","","0.0692","0.0494","","","0.0999","0.1138","","","","","","1.006","","","","has coordinates,has disorder","200017","2020-10-21","18:00:00",""
"7044058","10.6831","0.0005","40.3319","0.0015","22.6181","0.001","90","","90","","90","","9745.5","0.7","295","2","295","2","","","","","","","","6","P n m a","-P 2ac 2n","62","","","","- C53.5 H35.5 Mg1.17 N3.5 O12 Zn1.83 -","- C53.5 H35.5 Mg1.166 N3.5 O12 Zn1.834 -","- C428 H284 Mg9.328 N28 O96 Zn14.672 -","8","1","","Wu, Zhao-Feng; Huang, Xiao-ying","A series of Mg-Zn heterometallic coordination polymers: Synthesis, characterization and fluorescence sensing for Fe3+, CS2 and nitroaromatic compounds","Dalton Trans.","2017","","","","","10.1039/C7DT02800H","","","0.71073","MoKα","","0.1195","0.0617","","","0.1396","0.1669","","","","","","1.005","","","","has coordinates,has disorder","200017","2020-10-21","18:00:00",""
"7044059","8.172","0.005","16.061","0.009","3.4741","0.0019","90","","99.294","0.008","90","","450","0.4","296","2","296","2","","","","","","","","4","C 1 m 1","C -2y","8","","","","- B3 Cd5 Cl O9 -","- B3 Cd5 Cl O9 -","- B6 Cd10 Cl2 O18 -","2","0.5","","Song, YunXia; Luo, Min; Liang, Fei; Lin, Chensheng; Ye, Ning; Yan, Guiyang; Lin, Zheshuai","Experimental and ab Initio Studies of Cd5(BO3)3Cl: the First Cadmium Borate Chlorine with isolated BO3 groups","Dalton Trans.","2017","","","","","10.1039/C7DT02573D","","","0.71073","MoKα","","0.0146","0.0145","","","0.0339","0.034","","","","","","1.088","","","","has coordinates","200018","2020-10-21","18:00:00",""
"7044060","10.181","0.002","10.829","0.002","25.409","0.005","92.34","0.03","90.89","0.03","97.5","0.03","2774.4","0.9","273","2","273","2","","","","","","","","6","P -1","-P 1","2","","","","- C18 H40 Cl4 Cu N2 O6 -","- C18 H40 Cl4 Cu N2 O6 -","- C72 H160 Cl16 Cu4 N8 O24 -","4","2","","Lu, Yang; Hua, Xiuni; Liao, Wei-Qiang; Gao, Jixing; Yin, Zi","A room temperature reversible phase transition containing dielectric switch of a host-guest supramolecular metal-halide compound","Dalton Trans.","2017","","","","","10.1039/C7DT02607B","","","0.71073","MoKα","","0.1427","0.0813","","","0.1605","0.1904","","","","","","1.084","","","","has coordinates","200046","2020-10-21","18:00:00",""
"7044061","10.139","0.009","25.8","0.02","11.062","0.01","90","","97.988","0.012","90","","2866","4","323","2","323","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C18 H40 Cl4 Cu N2 O6 -","- C18 H40.3334 Cl4 Cu N2 O6 -","- C72 H161.334 Cl16 Cu4 N8 O24 -","4","1","","Lu, Yang; Hua, Xiuni; Liao, Wei-Qiang; Gao, Jixing; Yin, Zi","A room temperature reversible phase transition containing dielectric switch of a host-guest supramolecular metal-halide compound","Dalton Trans.","2017","","","","","10.1039/C7DT02607B","","","0.71073","MoKα","","0.2035","0.1548","","","0.2031","0.2232","","","","","","1.327","","","","has coordinates,has disorder","200046","2020-10-21","18:00:00",""
"7044062","15.1432","0.0014","9.4446","0.0009","20.1049","0.0019","90","","98.838","0.005","90","","2841.3","0.5","100","2","100.1","","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C25 H25 Cu F12 N5 P2 -","- C25 H25 Cu F12 N5 P2 -","- C100 H100 Cu4 F48 N20 P8 -","4","1","","Ekanayake, Danushka M.; Kulesa, Krista M.; Singh, Jaffarguriqbal; Kpogo, Kenneth Kwame; Mazumder, Shivnath; Schlegel, H. Bernhard; Verani, Claudio","A pentadentate nitrogen-rich copper electrocatalyst for water reduction with pH-dependent molecular mechanisms","Dalton Trans.","2017","","","","","10.1039/C7DT02711G","","x-ray","0.71073","MoKα","","0.0871","0.0645","","","0.1536","0.1674","","","","","","1.121","","","","has coordinates","200047","2020-10-21","18:00:00",""
"7044063","9.9304","0.0005","15.6402","0.0008","16.58","0.0008","93.317","0.003","91.601","0.003","99.641","0.003","2532.6","0.2","100","2","100.1","","","","","","","","","6","P -1","-P 1","2","","","","- C25 H25 Cu F6 N5 P -","- C25 H25 Cu F6 N5 P -","- C100 H100 Cu4 F24 N20 P4 -","4","2","","Ekanayake, Danushka M.; Kulesa, Krista M.; Singh, Jaffarguriqbal; Kpogo, Kenneth Kwame; Mazumder, Shivnath; Schlegel, H. Bernhard; Verani, Claudio","A pentadentate nitrogen-rich copper electrocatalyst for water reduction with pH-dependent molecular mechanisms","Dalton Trans.","2017","","","","","10.1039/C7DT02711G","","x-ray","0.71073","MoKα","","0.0578","0.0348","","","0.0682","0.076","","","","","","1.0368","","","","has coordinates","203412","2020-10-21","18:00:00",""
"7044064","32.146","","21.846","","15.001","","90","","90","","90","","10534.6","","172","","293","2","","","","","","","","6","P n m a","-P 2ac 2n","62","","","","- C22.5 H30 Mo9 N3 O32.5 S -","- C22.5 H30 Mo9 N3 O32.5 S -","- C180 H240 Mo72 N24 O260 S8 -","8","1","","Tsunashima, Ryo; Nakamura, Ippei; Oue, Rika; Koga, Seiya; Oki, Hirofumi; Nakamura, Takayoshi; Noro, Shin-ichiro; Akutagawa, Tomoyuki","Inter-cluster Distance Dependence of Electrical Properties in Single Crystals of a Mixed-valence Polyoxometalate","Dalton Trans.","2017","","","","","10.1039/C7DT02623D","","","0.7107","MoKα","","0.1726","0.1368","","","0.3015","0.333","","","","","","1.419","","","","has coordinates","200048","2020-10-21","18:00:00",""
"7044065","16.5259","0.0004","22.0689","0.0005","33.5552","0.001","90","0.0004","98.0671","0.0004","90","0.0004","12116.8","0.5","173","2","173","2","","","","","","","","6","P 1 n 1","P -2yac","7","","","","- C132 H295 Mo36 N16 O121 S4 -","- C132 H295 Mo36 N16 O120.981 S4 -","- C264 H590 Mo72 N32 O241.962 S8 -","2","1","","Tsunashima, Ryo; Nakamura, Ippei; Oue, Rika; Koga, Seiya; Oki, Hirofumi; Nakamura, Takayoshi; Noro, Shin-ichiro; Akutagawa, Tomoyuki","Inter-cluster Distance Dependence of Electrical Properties in Single Crystals of a Mixed-valence Polyoxometalate","Dalton Trans.","2017","","","","","10.1039/C7DT02623D","","","0.7107","MoKα","","0.069","0.0634","","","0.1756","0.1858","","","","","","1.073","","","","has coordinates,has disorder","200048","2020-10-21","18:00:00",""
"7044066","11.2091","0.001","13.1368","0.0012","13.3517","0.0011","93.015","0.002","108.718","0.002","108.591","0.002","1738.4","0.3","298.15","","298.15","","","","","","","","","5","P -1","-P 1","2","","","","- C25 H39 Cl5 Cu3 N10 -","- C25 H39 Cl5 Cu3 N10 -","- C50 H78 Cl10 Cu6 N20 -","2","1","","Boudalis, Athanassios; Rogez, Guillaume; Heinrich, Benoît; Raptis, Raphael; Turek, Philippe","Towards ionic liquids with tailored magnetic properties: bmim+ salts of ferro- and antiferromagnetic CuII3 triangles","Dalton Trans.","2017","","","","","10.1039/C7DT02472J","","x-ray","0.71073","MoKα","","0.0578","0.045","","","0.1195","0.13","","","","","","1.03","","","","has coordinates,has disorder","200049","2020-10-21","18:00:00",""
"7044067","11.5442","0.0006","15.6305","0.0009","19.9973","0.0011","90","","90","","90","","3608.3","0.3","298.15","","298.15","","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C25 H40 Cl4 Cu3 N10 O -","- C25 H40 Cl4 Cu3 N10 O -","- C100 H160 Cl16 Cu12 N40 O4 -","4","1","","Boudalis, Athanassios; Rogez, Guillaume; Heinrich, Benoît; Raptis, Raphael; Turek, Philippe","Towards ionic liquids with tailored magnetic properties: bmim+ salts of ferro- and antiferromagnetic CuII3 triangles","Dalton Trans.","2017","","","","","10.1039/C7DT02472J","","x-ray","0.71073","MoKα","","0.0711","0.0451","","","0.0978","0.1107","","","","","","1.043","","","","has coordinates,has disorder","200049","2020-10-21","18:00:00",""
"7044068","14.3982","0.0019","8.6271","0.0012","14.4349","0.0019","90","","107.688","0.003","90","","1708.3","0.4","90","","90","","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C13 H20 Cl2 N5 O Pd0.5 -","- C13 H20 Cl2 N5 O Pd0.5 -","- C52 H80 Cl8 N20 O4 Pd2 -","4","1","","Sanz, Corey A.; McKay, Zach R.; Patrick, Brian O.; MacLean, Shaun W.C.; Hicks, Robin G.","Synthesis and redox reactions of bis(verdazyl) palladium complexes","Dalton Trans.","2017","","","","","10.1039/C7DT02646C","","","0.71073","MoKα","","0.0288","0.0236","","","0.0559","0.0584","","","","","","1.055","","","","has coordinates","200050","2020-10-21","18:00:00",""
"7044069","9.7686","0.0005","10.5532","0.0005","14.0846","0.0007","77.023","0.002","77.476","0.002","77.674","0.002","1360.35","0.12","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","","","- C26 H36 N10 O2 Pd -","- C26 H36 N10 O2 Pd -","- C52 H72 N20 O4 Pd2 -","2","1","","Sanz, Corey A.; McKay, Zach R.; Patrick, Brian O.; MacLean, Shaun W.C.; Hicks, Robin G.","Synthesis and redox reactions of bis(verdazyl) palladium complexes","Dalton Trans.","2017","","","","","10.1039/C7DT02646C","","","0.71073","MoKα","","0.0398","0.027","","","0.0556","0.0611","","","","","","1.051","","","","has coordinates","200050","2020-10-21","18:00:00",""
"7044070","18.4316","0.0005","8.881","0.0002","18.9892","0.0005","90","","108.396","0.001","90","","2949.52","0.13","90","","90","","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C26 H36 Cl N10 O2 Pd -","- C26 H36 Cl N10 O2 Pd -","- C104 H144 Cl4 N40 O8 Pd4 -","4","1","","Sanz, Corey A.; McKay, Zach R.; Patrick, Brian O.; MacLean, Shaun W.C.; Hicks, Robin G.","Synthesis and redox reactions of bis(verdazyl) palladium complexes","Dalton Trans.","2017","","","","","10.1039/C7DT02646C","","","0.71073","MoKα","","0.0422","0.0287","","","0.0595","0.0642","","","","","","1.024","","","","has coordinates,has disorder","200050","2020-10-21","18:00:00",""
"7044071","9.2988","0.0004","22.7666","0.0009","18.2185","0.0007","90","","92.149","0.003","90","","3854.2","0.3","90","","90","","","","","","","","","8","P 1 21/n 1","-P 2yn","14","","","","- C28 H42 B2 F8 N10 O3 Pd S -","- C28 H42 B2 F8 N10 O3 Pd S -","- C112 H168 B8 F32 N40 O12 Pd4 S4 -","4","1","","Sanz, Corey A.; McKay, Zach R.; Patrick, Brian O.; MacLean, Shaun W.C.; Hicks, Robin G.","Synthesis and redox reactions of bis(verdazyl) palladium complexes","Dalton Trans.","2017","","","","","10.1039/C7DT02646C","","","1.54178","CuKα","","0.0998","0.0765","","","0.178","0.1904","","","","","","1.108","","","","has coordinates,has disorder","200050","2020-10-21","18:00:00",""
"7044072","15.357","0.018","10.037","0.011","15.475","0.018","90","","118.482","0.018","90","","2097","4","93","","93","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C16 H36 Cu N4 O4 -","- C16 H36 Cu N4 O4 -","- C64 H144 Cu4 N16 O16 -","4","1","","Togashi, Takanari; Nakayama, Masato; Miyake, Ryosuke; Uruma, Keirei; Kanaizuka, Katsuhiko; Kurihara, Masato","N,N-diethyl-diaminopropane-Copper(II) Oxalate Self-Reducible Complex for the Solution-Based Synthesis of Copper Nanocrystals","Dalton Trans.","2017","","","","","10.1039/C7DT02510F","","","0.71073","MoKα","","0.1264","0.0744","","","0.1703","0.1838","","","","","","1.079","","","","has coordinates","200051","2020-10-21","18:00:00",""
"7044073","35.953","0.005","35.953","0.005","35.953","0.005","90","","90","","90","","46474","11","296","2","296.15","","","","","","","","","6","I -4 3 d","I -4bd 2c 3","220","","","","- H57.3333 K2 Na1.3333 O136.6667 Sm4 W29 -","- K2 Na1.33333 O136.667 Sm4 W29 -","- K24 Na16 O1640 Sm48 W348 -","12","0.25","","Guo, Jipeng; Niu, Yanjun; Song, Lanying; Xu, Qiaofei; Lu, Jingkun; Ma, Pengtao; Zhang, Dongdi; Zhang, Chao; Niu, Jingyang; Wang, Jingping","Synthesis, characterization and catalytic epoxidation properties of lanthanide-stabilized peroxoisopolytungstates","Dalton Trans.","2017","","","","","10.1039/C7DT02471A","","","0.71073","MoKα","","0.0643","0.0398","","","0.0882","0.1003","","","","","","1.063","","","","has coordinates","290444","2024-03-12","09:55:30",""
"7044074","36.028","0.009","36.028","0.009","36.028","0.009","90","","90","","90","","46765","2","296","2","296.15","","","","","","","","","6","I -4 3 d","I -4bd 2c 3","220","","","","- Ce4 H57.3333 K2 Na1.3333 O136.6667 W29 -","- Ce4 K2 Na1.33333 O136.667 W29 -","- Ce48 K24 Na16 O1640 W348 -","12","0.25","","Guo, Jipeng; Niu, Yanjun; Song, Lanying; Xu, Qiaofei; Lu, Jingkun; Ma, Pengtao; Zhang, Dongdi; Zhang, Chao; Niu, Jingyang; Wang, Jingping","Synthesis, characterization and catalytic epoxidation properties of lanthanide-stabilized peroxoisopolytungstates","Dalton Trans.","2017","","","","","10.1039/C7DT02471A","","","0.71073","MoKα","","0.0613","0.0376","","","0.0833","0.094","","","","","","1.032","","","","has coordinates","290444","2024-03-12","09:55:30",""
"7044075","35.972","0.003","35.972","0.003","35.972","0.003","90","","90","","90","","46547","7","296","2","296.15","","","","","","","","","6","I -4 3 d","I -4bd 2c 3","220","","","","- H57.3333 K2 Na1.3333 Nd4 O136.6667 W29 -","- K2 Na1.33333 Nd4 O136.667 W29 -","- K24 Na16 Nd48 O1640 W348 -","12","0.25","","Guo, Jipeng; Niu, Yanjun; Song, Lanying; Xu, Qiaofei; Lu, Jingkun; Ma, Pengtao; Zhang, Dongdi; Zhang, Chao; Niu, Jingyang; Wang, Jingping","Synthesis, characterization and catalytic epoxidation properties of lanthanide-stabilized peroxoisopolytungstates","Dalton Trans.","2017","","","","","10.1039/C7DT02471A","","","0.71073","MoKα","","0.0517","0.0349","","","0.0791","0.0904","","","","","","1.137","","","","has coordinates","290444","2024-03-12","09:55:30",""
"7044076","35.774","0.004","35.774","0.004","35.774","0.004","90","","90","","90","","45783","9","296","2","296.15","","","","","","","","","6","I -4 3 d","I -4bd 2c 3","220","","","","- H57.3333 K2 Na1.3333 O136.6667 Tb4 W29 -","- K2 Na1.33333 O136.667 Tb4 W29 -","- K24 Na16 O1640 Tb48 W348 -","12","0.25","","Guo, Jipeng; Niu, Yanjun; Song, Lanying; Xu, Qiaofei; Lu, Jingkun; Ma, Pengtao; Zhang, Dongdi; Zhang, Chao; Niu, Jingyang; Wang, Jingping","Synthesis, characterization and catalytic epoxidation properties of lanthanide-stabilized peroxoisopolytungstates","Dalton Trans.","2017","","","","","10.1039/C7DT02471A","","","0.71073","MoKα","","0.052","0.0352","","","0.079","0.0925","","","","","","1.187","","","","has coordinates","290444","2024-03-12","09:55:30",""
"7044077","35.901","0.006","35.901","0.006","35.901","0.006","90","","90","","90","","46272","13","296","2","296.15","","","","","","","","","6","I -4 3 d","I -4bd 2c 3","220","","","","- Er4 H57.3333 K2 Na1.3333 O136.6667 W29 -","- Er4 K2 Na1.33333 O136.667 W29 -","- Er48 K24 Na16 O1640 W348 -","12","0.25","","Guo, Jipeng; Niu, Yanjun; Song, Lanying; Xu, Qiaofei; Lu, Jingkun; Ma, Pengtao; Zhang, Dongdi; Zhang, Chao; Niu, Jingyang; Wang, Jingping","Synthesis, characterization and catalytic epoxidation properties of lanthanide-stabilized peroxoisopolytungstates","Dalton Trans.","2017","","","","","10.1039/C7DT02471A","","","0.71073","MoKα","","0.0553","0.0383","","","0.0919","0.0993","","","","","","1.04","","","","has coordinates","290444","2024-03-12","09:55:30",""
"7044078","5.623","0.005","13.319","0.011","14.842","0.013","112.941","0.01","95.282","0.011","96.975","0.011","1004.2","1.5","296","2","296","2","","","","","","","","4","P -1","-P 1","2","","1,8-di(iso-pentyl)-3,6,10,13-tetraphenyl-1,8-diaza-3,6,10,13-tetraphosphacyclotetradecane","","- C42 H58 N2 P4 -","- C42 H58 N2 P4 -","- C42 H58 N2 P4 -","1","0.5","","Wittmann, T. I.; Musina, E. I.; Krivolapov, D. B.; Litvinov, I. A.; Kondrashova, S. A.; Latypov, Sh. K.; Karasik, A. A.; Sinyashin, O. G.","Covalent self-assembly of the specific RSSR isomer of 14-membered tetrakisphosphine","Dalton Trans.","2017","","","","","10.1039/C7DT03010J","","","0.71073","MoKα","","0.1178","0.0643","","","0.1526","0.1827","","","","","","0.975","","","","has coordinates","200107","2020-10-21","18:00:00",""
"7044079","12.678","0.002","10.8332","0.0017","17.285","0.003","90","","100.697","0.002","90","","2332.7","0.7","296","2","296","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","[(dicopper,diiodo(K2-P,P))(1,8-di(iso-pentyl)-3,6,10,13-tetraphenyl-1,8-diaza-3,6,10,13-tetraphosphacyclotetradecane)]","","- C42 H58 Cu2 I2 N2 P4 -","- C42 H58 Cu2 I2 N2 P4 -","- C84 H116 Cu4 I4 N4 P8 -","2","0.5","","Wittmann, T. I.; Musina, E. I.; Krivolapov, D. B.; Litvinov, I. A.; Kondrashova, S. A.; Latypov, Sh. K.; Karasik, A. A.; Sinyashin, O. G.","Covalent self-assembly of the specific RSSR isomer of 14-membered tetrakisphosphine","Dalton Trans.","2017","","","","","10.1039/C7DT03010J","","","0.71073","MoKα","","0.0328","0.0257","","","0.0666","0.077","","","","","","1.072","","","","has coordinates","200107","2020-10-21","18:00:00",""
"7044080","8.5","","11.8","","19.5","","90","","97.2","","90","","1940.43","","293","2","293","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C16 H14 Co F6 N2 O4 -","- C16 H14 Co F6 N2 O4 -","- C64 H56 Co4 F24 N8 O16 -","4","1","","Büyükyazi, Mehtap; Yu, Pengmei; Fischer, Thomas; Coll, Mariona; Mathur, Sanjay","Cobalt(II)heteroarylalkenolate precursor for homogeneous Co3O4 coatings by atomic layer deposition","Dalton Trans.","2017","","","","","10.1039/C7DT02757E","","","0.71073","MoKα","","0.0801","0.0421","","","0.1033","0.1222","","","","","","1.027","","","","has coordinates","200108","2020-10-21","18:00:00",""
"7044081","11.3964","0.0002","12.8541","0.0004","18.4749","0.0006","104.222","0.003","99.28","0.002","90.295","0.002","2586.28","0.13","289","2","289","2","","","","","","","","5","P -1","-P 1","2","","","","- C51 H60 O Pd3 S6 -","- C51 H60 O Pd3 S6 -","- C102 H120 O2 Pd6 S12 -","2","1","","Chen, Jishi; Pan, Yanze; Wang, Zonghua; Zhao, Peng","The fluorescence properties of tiara like structural thiolated palladium clusters","Dalton Trans.","2017","","","","","10.1039/C7DT02836A","","","1.54184","CuKα","","0.0474","0.0451","","","0.1225","0.1258","","","","","","1.068","","","","has coordinates","200109","2020-10-21","18:00:00",""
"7044082","40.856","0.005","23.354","0.005","21.811","0.005","90","","113.632","0.005","90","","19066","6","293","2","298.15","","","","","","","","","7","C 1 2/c 1","-C 2yc","15","","","","- Cr3 Cs5 K4 Nb6 O196 P4 W30 -","- Cr3 Cs5 K4 Nb6 O152 P4 W30 -","- Cr12 Cs20 K16 Nb24 O608 P16 W120 -","4","0.5","","Huang, Peng; Wang, Xinlong; He, De-Qing; Wu, Hai-Yang; Qin, Chao; Du, Meng; Lai, chao; Su, Zhong-Min","Two nanoscale Nb containing polyoxometalates based on the {P2W15Nb3O62} clusters and Chromium Cations","Dalton Trans.","2017","","","","","10.1039/C7DT02737K","","x-ray","0.71069","MoKα","","0.122","0.0548","","","0.1358","0.1755","","","","","","1.003","","","","has coordinates,has disorder","200110","2020-10-21","18:00:00",""
"7044083","23.8101","0.0009","28.6573","0.0011","30.7054","0.0011","62.338","0.001","81.991","0.001","81.83","0.001","18303.9","1.2","298","2","298","2","","","","","","","","9","P -1","-P 1","2","","","","- Cr4 Cs13 H55 K5 Na Nb12 O273 P8 W60 -","- Cr4 Cs10 K4.5 Na Nb12 O273 P8 W60 -","- Cr8 Cs20 K9 Na2 Nb24 O546 P16 W120 -","2","1","","Huang, Peng; Wang, Xinlong; He, De-Qing; Wu, Hai-Yang; Qin, Chao; Du, Meng; Lai, chao; Su, Zhong-Min","Two nanoscale Nb containing polyoxometalates based on the {P2W15Nb3O62} clusters and Chromium Cations","Dalton Trans.","2017","","","","","10.1039/C7DT02737K","","","0.71073","MoKα","","0.1763","0.0829","","","0.2069","0.2564","","","","","","1.024","","","","has coordinates,has disorder","200110","2020-10-21","18:00:00",""
"7044084","9.8652","0.0002","10.1852","0.0002","12.2154","0.0003","82.88","0.001","86.473","0.001","77.785","0.001","1189.57","0.04","296","2","296","2","","","","","","","","7","P -1","-P 1","2","","","","- C23 H26 Cl2 N2 O2 Ru S -","- C23 H26 Cl2 N2 O2 Ru S -","- C46 H52 Cl4 N4 O4 Ru2 S2 -","2","1","","Colina-Vegas, Legna; Luna, Liany; Plutin, Ana; Castellano, Eduardo; Cominetti, Marcia Regina; Batista, Alzir A.","Ru(II)-arene acylthioureas complexes: DNA/HSA-binding, anti-migration and cell death in a triple negative breast tumor cell line","Dalton Trans.","2017","","","","","10.1039/C7DT01801K","","","0.71073","MoKα","","0.0554","0.0436","","","0.1054","0.1109","","","","","","1.013","","","","has coordinates","200111","2020-10-21","18:00:00",""
"7044085","9.688","0.0003","11","0.0004","11.464","0.0004","86.416","0.002","82.922","0.002","76.878","0.002","1179.97","0.07","293","2","293","2","","","","","","","","7","P -1","-P 1","2","","","","- C21 H24 Cl2 N2 O2 Ru S2 -","- C21 H24 Cl2 N2 O2 Ru S2 -","- C42 H48 Cl4 N4 O4 Ru2 S4 -","2","1","","Colina-Vegas, Legna; Luna, Liany; Plutin, Ana; Castellano, Eduardo; Cominetti, Marcia Regina; Batista, Alzir A.","Ru(II)-arene acylthioureas complexes: DNA/HSA-binding, anti-migration and cell death in a triple negative breast tumor cell line","Dalton Trans.","2017","","","","","10.1039/C7DT01801K","","x-ray","0.71073","MoKα","","0.0445","0.0393","","","0.1112","0.1162","","","","","","1.142","","","","has coordinates","200111","2020-10-21","18:00:00",""
"7044086","10.09","0.0003","15.255","0.0006","16.319","0.0008","96.796","0.002","103.806","0.003","91.132","0.002","2419.16","0.17","293","2","293","2","","","","","","","","7","P -1","-P 1","2","","","","- C21 H24 Cl2 N2 O Ru S3 -","- C21 H24 Cl2 N2 O Ru S3 -","- C84 H96 Cl8 N8 O4 Ru4 S12 -","4","2","","Colina-Vegas, Legna; Luna, Liany; Plutin, Ana; Castellano, Eduardo; Cominetti, Marcia Regina; Batista, Alzir A.","Ru(II)-arene acylthioureas complexes: DNA/HSA-binding, anti-migration and cell death in a triple negative breast tumor cell line","Dalton Trans.","2017","","","","","10.1039/C7DT01801K","","x-ray","0.71073","MoKα","","0.0792","0.0478","","","0.1232","0.1486","","","","","","1.053","","","","has coordinates,has disorder","200111","2020-10-21","18:00:00",""
"7044087","9.646","0.0003","11.019","0.0003","11.316","0.0002","87.365","0.002","83.413","0.002","76.538","0.001","1161.77","0.05","293","2","293","2","","","","","","","","7","P -1","-P 1","2","","","","- C21 H24 Cl2 N2 O3 Ru S -","- C21 H24 Cl2 N2 O3 Ru S -","- C42 H48 Cl4 N4 O6 Ru2 S2 -","2","1","","Colina-Vegas, Legna; Luna, Liany; Plutin, Ana; Castellano, Eduardo; Cominetti, Marcia Regina; Batista, Alzir A.","Ru(II)-arene acylthioureas complexes: DNA/HSA-binding, anti-migration and cell death in a triple negative breast tumor cell line","Dalton Trans.","2017","","","","","10.1039/C7DT01801K","","x-ray","0.71073","MoKα","","0.0367","0.0322","","","0.0818","0.0858","","","","","","1.151","","","","has coordinates","200111","2020-10-21","18:00:00",""
"7044088","39.603","0.003","44.958","0.003","12.7721","0.0009","90","","90","","90","","22740","3","120","","120","","","","","","","","","7","F d d 2","F 2 -2d","43","","","","- C88 H108 Cu4 Na4 O32 S8 Si12 -","- C88 H108 Cu4 Na4 O32 S8 Si12 -","- C704 H864 Cu32 Na32 O256 S64 Si96 -","8","0.5","","Bilyachenko, Alexey; Korlyukov, Aleksander; Vologzhanina, Anna V. V.; Khrustalev, Victor N.; Kulakova, Alena Nikolaevna; Long, Jerome; Larionova, Joulia; Guari, Yannick; Dronova, Marina; Tsareva, Ulyana; Dorovatovskii, Pavel; Shubina, Elena; Levitsky, Mikhail","Bi- and Tri-metallic Cage Silsesquioxanes: Features of Supramolecular Assembling and Magnetic Properties","Dalton Trans.","2017","","","","","10.1039/C7DT02017A","","","0.71073","MoKα","","0.0717","0.0453","","","0.1012","0.1131","","","","","","1.06","","","","has coordinates","200112","2020-10-21","18:00:00",""
"7044089","20.3032","0.001","20.2902","0.001","29.2211","0.0015","90","","101.772","0.001","90","","11784.6","1","120","","120","","","","","","","","","7","C 1 2/c 1","-C 2yc","15","","","","- C106 H112 Cu4 N10 Na2 O24 Si12 -","- C106 H112 Cu4 N10 Na2 O24 Si12 -","- C424 H448 Cu16 N40 Na8 O96 Si48 -","4","0.5","","Bilyachenko, Alexey; Korlyukov, Aleksander; Vologzhanina, Anna V. V.; Khrustalev, Victor N.; Kulakova, Alena Nikolaevna; Long, Jerome; Larionova, Joulia; Guari, Yannick; Dronova, Marina; Tsareva, Ulyana; Dorovatovskii, Pavel; Shubina, Elena; Levitsky, Mikhail","Bi- and Tri-metallic Cage Silsesquioxanes: Features of Supramolecular Assembling and Magnetic Properties","Dalton Trans.","2017","","","","","10.1039/C7DT02017A","","","0.71073","MoKα","","0.0838","0.0566","","","0.1304","0.141","","","","","","1.077","","","","has coordinates,has disorder","200112","2020-10-21","18:00:00",""
"7044090","13.5529","0.0004","15.0155","0.0005","15.3739","0.0005","86.574","0.001","68.255","0.001","70.24","0.001","2727.21","0.15","120","","120","","","","","","","","","8","P -1","-P 1","2","","","","- C90 H103 Cs2 Cu4 N6 Na2 O30.5 Si12 -","- C90 H103 Cs2 Cu4 N6 Na2 O30.5 Si12 -","- C90 H103 Cs2 Cu4 N6 Na2 O30.5 Si12 -","1","0.5","","Bilyachenko, Alexey; Korlyukov, Aleksander; Vologzhanina, Anna V. V.; Khrustalev, Victor N.; Kulakova, Alena Nikolaevna; Long, Jerome; Larionova, Joulia; Guari, Yannick; Dronova, Marina; Tsareva, Ulyana; Dorovatovskii, Pavel; Shubina, Elena; Levitsky, Mikhail","Bi- and Tri-metallic Cage Silsesquioxanes: Features of Supramolecular Assembling and Magnetic Properties","Dalton Trans.","2017","","","","","10.1039/C7DT02017A","","","1.54178","CuKα","","0.0267","0.0262","","","0.0722","0.0726","","","","","","0.989","","","","has coordinates","200112","2020-10-21","18:00:00",""
"7044091","25.42","0.005","16.08","0.003","20.02","0.004","90","","116.21","0.03","90","","7342","3","100","2","100","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C60 H62 Cu2 Na2 O24 Si10 -","- C60 H62 Cu2 Na2 O24 Si10 -","- C240 H248 Cu8 Na8 O96 Si40 -","4","0.5","","Bilyachenko, Alexey; Korlyukov, Aleksander; Vologzhanina, Anna V. V.; Khrustalev, Victor N.; Kulakova, Alena Nikolaevna; Long, Jerome; Larionova, Joulia; Guari, Yannick; Dronova, Marina; Tsareva, Ulyana; Dorovatovskii, Pavel; Shubina, Elena; Levitsky, Mikhail","Bi- and Tri-metallic Cage Silsesquioxanes: Features of Supramolecular Assembling and Magnetic Properties","Dalton Trans.","2017","","","","","10.1039/C7DT02017A","","","0.9669","synchrotron","","0.1403","0.1221","","","0.2637","0.2857","","","","","","0.938","","","","has coordinates,has disorder","200112","2020-10-21","18:00:00",""
"7044092","15.33","0.003","27.39","0.006","26.06","0.005","90","","101.36","0.03","90","","10728","4","100","2","100","2","","","","","","","","8","C 1 2/c 1","-C 2yc","15","","","","- C84 H88 Cs Cu4 N4 Na3 O28 Si12 -","- C84 H88 Cs Cu4 N4 Na3 O28 Si12 -","- C336 H352 Cs4 Cu16 N16 Na12 O112 Si48 -","4","0.5","","Bilyachenko, Alexey; Korlyukov, Aleksander; Vologzhanina, Anna V. V.; Khrustalev, Victor N.; Kulakova, Alena Nikolaevna; Long, Jerome; Larionova, Joulia; Guari, Yannick; Dronova, Marina; Tsareva, Ulyana; Dorovatovskii, Pavel; Shubina, Elena; Levitsky, Mikhail","Bi- and Tri-metallic Cage Silsesquioxanes: Features of Supramolecular Assembling and Magnetic Properties","Dalton Trans.","2017","","","","","10.1039/C7DT02017A","","","0.9699","synchrotron","","0.2057","0.1283","","","0.2857","0.3454","","","","","","0.95","","","","has coordinates,has disorder","200112","2020-10-21","18:00:00",""
"7044093","19.936","0.004","24.531","0.005","26.959","0.006","90","","104.474","0.004","90","","12766","5","100","","100","2","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C114 H133 Cu4 N2 Na4 O42 Si12 -","- C114 H125 Cu4 N2 Na4 O42 Si12 -","- C456 H500 Cu16 N8 Na16 O168 Si48 -","4","1","","Bilyachenko, Alexey; Korlyukov, Aleksander; Vologzhanina, Anna V. V.; Khrustalev, Victor N.; Kulakova, Alena Nikolaevna; Long, Jerome; Larionova, Joulia; Guari, Yannick; Dronova, Marina; Tsareva, Ulyana; Dorovatovskii, Pavel; Shubina, Elena; Levitsky, Mikhail","Bi- and Tri-metallic Cage Silsesquioxanes: Features of Supramolecular Assembling and Magnetic Properties","Dalton Trans.","2017","","","","","10.1039/C7DT02017A","","","0.71073","MoKα","","0.1617","0.0979","","","0.2214","0.2618","","","","","","1.043","","","","has coordinates,has disorder","200112","2020-10-21","18:00:00",""
"7044094","12.4652","0.0003","14.2001","0.0004","15.2042","0.0004","97.541","0.002","94.028","0.001","101.067","0.001","2605.73","0.12","120","","120","","","","","","","","","7","P 1","P 1","1","","","","- C88 H88 Cu4 N8 Na4 O26 Si12 -","- C88 H88 Cu4 N8 Na4 O26 Si12 -","- C88 H88 Cu4 N8 Na4 O26 Si12 -","1","1","","Bilyachenko, Alexey; Korlyukov, Aleksander; Vologzhanina, Anna V. V.; Khrustalev, Victor N.; Kulakova, Alena Nikolaevna; Long, Jerome; Larionova, Joulia; Guari, Yannick; Dronova, Marina; Tsareva, Ulyana; Dorovatovskii, Pavel; Shubina, Elena; Levitsky, Mikhail","Bi- and Tri-metallic Cage Silsesquioxanes: Features of Supramolecular Assembling and Magnetic Properties","Dalton Trans.","2017","","","","","10.1039/C7DT02017A","","","1.54178","CuKα","","0.0279","0.0275","","","0.0728","0.0731","","","","","","1.046","","","","has coordinates","200112","2020-10-21","18:00:00",""
"7044095","39.0472","0.0011","12.7721","0.0003","28.8454","0.0014","90","","131.761","0.001","90","","10730.7","0.7","120","","120","","","","","","","","","6","C 1 c 1","C -2yc","9","","","","- C85 H95 Cu4 Na4 O30.5 Si12 -","- C85 H95 Cu4 Na4 O30.5 Si12 -","- C340 H380 Cu16 Na16 O122 Si48 -","4","1","","Bilyachenko, Alexey; Korlyukov, Aleksander; Vologzhanina, Anna V. V.; Khrustalev, Victor N.; Kulakova, Alena Nikolaevna; Long, Jerome; Larionova, Joulia; Guari, Yannick; Dronova, Marina; Tsareva, Ulyana; Dorovatovskii, Pavel; Shubina, Elena; Levitsky, Mikhail","Bi- and Tri-metallic Cage Silsesquioxanes: Features of Supramolecular Assembling and Magnetic Properties","Dalton Trans.","2017","","","","","10.1039/C7DT02017A","","","1.54178","CuKα","","0.0995","0.0809","","","0.1864","0.202","","","","","","1.086","","","","has coordinates,has disorder","200112","2020-10-21","18:00:00",""
"7044096","15.3886","0.0003","27.7686","0.0005","26.0338","0.0005","90","","101.962","0.001","90","","10883.2","0.4","120","","120","","","","","","","","","8","C 1 2/c 1","-C 2yc","15","","","","- C90 H102 Cu4 K2 N6 Na2 O30 Si12 -","- C90 H102 Cu4 K2 N6 Na2 O30 Si12 -","- C360 H408 Cu16 K8 N24 Na8 O120 Si48 -","4","0.5","","Bilyachenko, Alexey; Korlyukov, Aleksander; Vologzhanina, Anna V. V.; Khrustalev, Victor N.; Kulakova, Alena Nikolaevna; Long, Jerome; Larionova, Joulia; Guari, Yannick; Dronova, Marina; Tsareva, Ulyana; Dorovatovskii, Pavel; Shubina, Elena; Levitsky, Mikhail","Bi- and Tri-metallic Cage Silsesquioxanes: Features of Supramolecular Assembling and Magnetic Properties","Dalton Trans.","2017","","","","","10.1039/C7DT02017A","","","1.54178","CuKα","","0.0703","0.0671","","","0.2004","0.205","","","","","","1.041","","","","has coordinates,has disorder","200112","2020-10-21","18:00:00",""
"7044097","14.0768","0.0003","15.188","0.0003","28.3921","0.0006","78.743","0.001","82.067","0.001","87.767","0.001","5896","0.2","120","","120","","","","","","","","","9","P -1","-P 1","2","","","","- C90.5 H106.5 Cs3 Cu4 N5.5 Na O31.5 S Si12 -","- C90.5 H106.5 Cs3 Cu4 N5.5 Na O31.5 S Si12 -","- C181 H213 Cs6 Cu8 N11 Na2 O63 S2 Si24 -","2","1","","Bilyachenko, Alexey; Korlyukov, Aleksander; Vologzhanina, Anna V. V.; Khrustalev, Victor N.; Kulakova, Alena Nikolaevna; Long, Jerome; Larionova, Joulia; Guari, Yannick; Dronova, Marina; Tsareva, Ulyana; Dorovatovskii, Pavel; Shubina, Elena; Levitsky, Mikhail","Bi- and Tri-metallic Cage Silsesquioxanes: Features of Supramolecular Assembling and Magnetic Properties","Dalton Trans.","2017","","","","","10.1039/C7DT02017A","","","1.54178","CuKα","","0.0703","0.0677","","","0.1524","0.154","","","","","","1.04","","","","has coordinates,has disorder","200112","2020-10-21","18:00:00",""
"7044098","17.1514","0.0003","12.63396","0.00019","21.6626","0.0004","90","","98.2803","0.0015","90","","4645.14","0.14","293","2","293","","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C86 H84 Cl8 Cu4 N10 O14 S2 -","- C86 H84 Cl8 Cu4 N10 O14 S2 -","- C172 H168 Cl16 Cu8 N20 O28 S4 -","2","0.5","","Lu, Chunxin; Laws, Kristine; Eskandari, Arvin; Suntharalingam, Kogularamanan","A reactive oxygen species-generating, cyclooxygenase-2 inhibiting, cancer stem cell-potent tetranuclear copper(II) cluster","Dalton Trans.","2017","","","","","10.1039/C7DT02789C","","x-ray","1.54184","CuKα","","0.0612","0.0472","","","0.1246","0.1358","","","","","","1.027","","","","has coordinates,has disorder","200159","2020-10-21","18:00:00",""
"7044099","13.9484","0.0009","28.7451","0.0017","21.4103","0.0013","90","","94.09","0.001","90","","8562.6","0.9","296","2","296","2","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C41 H49 Cu N12 O68 P2 W18 -","- C41 H33 Cu N12 O68 P2 W18 -","- C164 H132 Cu4 N48 O272 P8 W72 -","4","1","","Wang, Guangning; Chen, tingting; Li, Shaobin; Pang, Haijun; Ma, Huiyuan","A coordination polymer based on dinuclear (pyrazinyl tetrazolate) copper(II) cations and Wells-Dawson anions for high-performance supercapacitor electrodes","Dalton Trans.","2017","","","","","10.1039/C7DT02230A","","","0.71073","MoKα","","0.0791","0.0483","","","0.1137","0.1279","","","","","","1.02","","","","has coordinates","200160","2020-10-21","18:00:00",""
"7044100","13.65","0.002","15.01","0.002","16.825","0.002","105.277","0.002","102.9","0.002","115.093","0.002","2781.4","0.6","123","2","123","2","","","","","","","","6","P -1","-P 1","2","","","","- C52 H55 Cl2 N12 O14 Yb -","- C52 H55 Cl2 N12 O14 Yb -","- C104 H110 Cl4 N24 O28 Yb2 -","2","1","","Wu, Dongqing; Shao, Dong; Wei, Xiaoqin; Shen, Fu-Xing; Shi, Le; Zhang, Yiquan; Wang, Xin-Yi","Single-Ion Magnetism in Seven-Coordinate YbIII Complexes with Distorted D5h Coordination Geometry","Dalton Trans.","2017","","","","","10.1039/C7DT02461D","","","0.71073","MoKα","","0.0571","0.0474","","","0.1468","0.1607","","","","","","1.112","","","","has coordinates","200162","2020-10-21","18:00:00",""
"7044101","10.6184","0.0007","17.0462","0.0012","22.0716","0.0015","90","","99.132","0.001","90","","3944.4","0.5","123","2","123","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C64 H88 Cl4 N16 O21 Yb2 -","- C64 H88 Cl4 N16 O21 Yb2 -","- C128 H176 Cl8 N32 O42 Yb4 -","2","0.5","","Wu, Dongqing; Shao, Dong; Wei, Xiaoqin; Shen, Fu-Xing; Shi, Le; Zhang, Yiquan; Wang, Xin-Yi","Single-Ion Magnetism in Seven-Coordinate YbIII Complexes with Distorted D5h Coordination Geometry","Dalton Trans.","2017","","","","","10.1039/C7DT02461D","","","0.71073","MoKα","","0.0405","0.0359","","","0.0892","0.0921","","","","","","1.059","","","","has coordinates,has disorder","200162","2020-10-21","18:00:00",""
"7044102","8.914","0.007","10.497","0.009","9.251","0.008","90","","106.776","0.013","90","","828.8","1.2","296","2","296","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C3 H4 Cu N8 O4 -","- C3 H4 Cu N8 O4 -","- C12 H16 Cu4 N32 O16 -","4","1","","Li, Xin; Yang, Qi; Wei, Qing; Xie, Gang; Chen, Sanping; Gao, Sheng-li","Axial substitution of precursor resulted in two high-energy copper(II) complexes with superior detonation performances","Dalton Trans.","2017","","","","","10.1039/C7DT02179H","","","0.71073","MoKα","","0.0613","0.0567","","","0.154","0.1583","","","","","","1.082","","","","has coordinates","200163","2020-10-21","18:00:00",""
"7044103","6.276","0.003","14.093","0.006","8.649","0.003","90","","99.608","0.005","90","","754.3","0.5","296","2","296","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C8 H8 Cu N14 O4 -","- C8 H8 Cu N14 O4 -","- C16 H16 Cu2 N28 O8 -","2","0.5","","Li, Xin; Yang, Qi; Wei, Qing; Xie, Gang; Chen, Sanping; Gao, Sheng-li","Axial substitution of precursor resulted in two high-energy copper(II) complexes with superior detonation performances","Dalton Trans.","2017","","","","","10.1039/C7DT02179H","","","0.71073","MoKα","","0.0984","0.0474","","","0.0919","0.1078","","","","","","0.959","","","","has coordinates","200163","2020-10-21","18:00:00",""
"7044104","35.5534","0.0008","10.895","0.0003","26.8665","0.0011","90","","129.821","0.001","90","","7993","0.4","100","2","100","2","","","","","","","","7","C 1 2/c 1","-C 2yc","15","","","","- C86 H102 Br4 N4 O P2 Rh2 -","- C86 H102 Br4 N4 O P2 Rh2 -","- C344 H408 Br16 N16 O4 P8 Rh8 -","4","0.5","","CANAC, Yves; Lugan, Noël; Benaissa, Idir; Taakili, Rachid","A Convenient Access to N-Phosphonio-Substituted NHC Metal Complexes [M = Ag(I), Rh(I), Pd(II)]","Dalton Trans.","2017","","","","","10.1039/C7DT02759A","","x-ray","0.71073","MoKα","","0.0199","0.0183","","","0.0487","0.05","","","","","","0.911","","","","has coordinates,has disorder","200164","2020-10-21","18:00:00",""
"7044105","32.4379","0.0016","12.1195","0.0006","24.8212","0.0013","90","","128.413","0.001","90","","7645.9","0.7","100","2","100","2","","","","","","","","9","C 1 2/c 1","-C 2yc","15","","","","- C37 H34 Cl F3 N2 O3 P Pd S -","- C37 H34 Cl F3 N2 O3 P Pd S -","- C296 H272 Cl8 F24 N16 O24 P8 Pd8 S8 -","8","1","","CANAC, Yves; Lugan, Noël; Benaissa, Idir; Taakili, Rachid","A Convenient Access to N-Phosphonio-Substituted NHC Metal Complexes [M = Ag(I), Rh(I), Pd(II)]","Dalton Trans.","2017","","","","","10.1039/C7DT02759A","","","0.71073","MoKα","","0.0265","0.0246","","","0.0659","0.0676","","","","","","1.119","","","","has coordinates","200164","2020-10-21","18:00:00",""
"7044106","10.854","0.002","12.357","0.002","13.259","0.002","75.729","0.005","66.227","0.005","71.854","0.005","1531.5","0.4","100","2","100","2","","","","","","","","7","P -1","-P 1","2","","","","- C27 H27 F6 N2 O6 P S2 -","- C27 H27 F6 N2 O6 P S2 -","- C54 H54 F12 N4 O12 P2 S4 -","2","1","","CANAC, Yves; Lugan, Noël; Benaissa, Idir; Taakili, Rachid","A Convenient Access to N-Phosphonio-Substituted NHC Metal Complexes [M = Ag(I), Rh(I), Pd(II)]","Dalton Trans.","2017","","","","","10.1039/C7DT02759A","","","0.71073","MoKα","","0.0729","0.0507","","","0.1298","0.1478","","","","","","1.024","","","","has coordinates","200164","2020-10-21","18:00:00",""
"7044107","12.9799","0.0005","13.0932","0.0005","13.5428","0.0005","100.284","0.001","104.9","0.001","106.068","0.001","2058.59","0.14","100","2","100","2","","","","","","","","9","P -1","-P 1","2","","","","- C39 H41 Cl0 F3 N3 O3 P Pd S -","- C39 H36 F3 N3 O3 P Pd S -","- C78 H72 F6 N6 O6 P2 Pd2 S2 -","2","1","","CANAC, Yves; Lugan, Noël; Benaissa, Idir; Taakili, Rachid","A Convenient Access to N-Phosphonio-Substituted NHC Metal Complexes [M = Ag(I), Rh(I), Pd(II)]","Dalton Trans.","2017","","","","","10.1039/C7DT02759A","","x-ray","0.71073","MoKα","","0.0528","0.0499","","","0.1286","0.1317","","","","","","1.047","","","","has coordinates","200164","2020-10-21","18:00:00",""
"7044108","9.6755","0.0002","12.7591","0.0003","13.7838","0.0003","108.122","0.002","100.266","0.002","98.136","0.002","1555.63","0.07","173","2","173","2","","","","","","","","5","P -1","-P 1","2","","","","- C33 H37 Br2 N2 P -","- C33 H37 Br2 N2 P -","- C66 H74 Br4 N4 P2 -","2","1","","CANAC, Yves; Lugan, Noël; Benaissa, Idir; Taakili, Rachid","A Convenient Access to N-Phosphonio-Substituted NHC Metal Complexes [M = Ag(I), Rh(I), Pd(II)]","Dalton Trans.","2017","","","","","10.1039/C7DT02759A","","x-ray","0.71073","MoKα","","0.0323","0.0243","","","0.0609","0.0652","","","","","","1.05","","","","has coordinates","200164","2020-10-21","18:00:00",""
"7044109","15.1723","0.0002","9.5115","0.0002","18.0882","0.0003","90","","93.349","0.001","90","","2605.87","0.08","100","2","100","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C54 H58 Ag2 Br2 N4 O2 P2 -","- C54 H58 Ag2 Br2 N4 O2 P2 -","- C108 H116 Ag4 Br4 N8 O4 P4 -","2","0.5","","CANAC, Yves; Lugan, Noël; Benaissa, Idir; Taakili, Rachid","A Convenient Access to N-Phosphonio-Substituted NHC Metal Complexes [M = Ag(I), Rh(I), Pd(II)]","Dalton Trans.","2017","","","","","10.1039/C7DT02759A","","x-ray","0.71073","MoKα","","0.0433","0.0393","","","0.1164","0.1203","","","","","","1.058","","","","has coordinates","200164","2020-10-21","18:00:00",""
"7044110","9.7558","0.0004","12.6715","0.0005","15.0828","0.0006","92.245","0.001","93.883","0.001","102.002","0.001","1816.89","0.13","100","2","100","2","","","","","","","","6","P -1","-P 1","2","","","","- C70 H74 Ag4 Br6 N6 P2 -","- C70 H74 Ag4 Br6 N6 P2 -","- C70 H74 Ag4 Br6 N6 P2 -","1","0.5","","CANAC, Yves; Lugan, Noël; Benaissa, Idir; Taakili, Rachid","A Convenient Access to N-Phosphonio-Substituted NHC Metal Complexes [M = Ag(I), Rh(I), Pd(II)]","Dalton Trans.","2017","","","","","10.1039/C7DT02759A","","x-ray","0.71073","MoKα","","0.0247","0.0199","","","0.0444","0.0461","","","","","","1.045","","","","has coordinates","200164","2020-10-21","18:00:00",""
"7044111","9.7214","0.0004","13.9079","0.0007","15.3042","0.0007","68.116","0.002","87.751","0.002","70.945","0.002","1806.84","0.15","100","2","100","2","","","","","","","synthesis as described","7","P -1","-P 1","2","","","","- C35 H35 F6 N2 O6 P S2 -","- C35 H35 F6 N2 O6 P S2 -","- C70 H70 F12 N4 O12 P2 S4 -","2","1","","CANAC, Yves; Lugan, Noël; Benaissa, Idir; Taakili, Rachid","A Convenient Access to N-Phosphonio-Substituted NHC Metal Complexes [M = Ag(I), Rh(I), Pd(II)]","Dalton Trans.","2017","","","","","10.1039/C7DT02759A","","x-ray","0.71073","MoKα","","0.0676","0.0463","","","0.1073","0.1182","","","","","","1.033","","","","has coordinates","200164","2020-10-21","18:00:00",""
"7044112","9.672","0.0002","12.7253","0.0002","13.874","0.0002","108.111","0.002","100.779","0.001","98.735","0.001","1553.51","0.05","173","2","173","2","","","","","","","","5","P -1","-P 1","2","","","","- C33 H35 Br2 N2 P -","- C33 H35 Br2 N2 P -","- C66 H70 Br4 N4 P2 -","2","1","","CANAC, Yves; Lugan, Noël; Benaissa, Idir; Taakili, Rachid","A Convenient Access to N-Phosphonio-Substituted NHC Metal Complexes [M = Ag(I), Rh(I), Pd(II)]","Dalton Trans.","2017","","","","","10.1039/C7DT02759A","","x-ray","0.71073","MoKα","","0.0369","0.0334","","","0.0878","0.0912","","","","","","1.072","","","","has coordinates","200164","2020-10-21","18:00:00",""
"7044113","8.565","0.0009","11.642","0.0012","7.8673","0.0008","90","","90","","90","","784.48","0.14","393","2","393","","","","","","","","","5","P n m a","-P 2ac 2n","62","","","","- C3 H8 Co N2 O6 -","- C3 H8 Co N2 O6 -","- C12 H32 Co4 N8 O24 -","4","0.5","","Gunatilleke, Wilarachchige D. C. Bhagya; Wei, Kaya; Niu, Zheng; Wojtas, Lukasz; Ma, Shengqian; Nolas, George S.","Thermal Conductivity of Perovskite-type Metal-Organic Framework Crystal","Dalton Trans.","2017","","","","","10.1039/C7DT02927F","","","1.54178","CuKα","","0.0353","0.0263","","","0.0601","0.0655","","","","","","1.114","","","","has coordinates,has disorder","200194","2020-10-21","18:00:00",""
"7044114","8.6592","0.0003","7.7641","0.0002","11.5528","0.0004","90","","90","","90","","776.71","0.04","298","2","298.01","","","","","","","","","5","P n a 21","P 2c -2n","33","","","","- C3 H8 Co N2 O6 -","- C3 H8 Co N2 O6 -","- C12 H32 Co4 N8 O24 -","4","1","","Gunatilleke, Wilarachchige D. C. Bhagya; Wei, Kaya; Niu, Zheng; Wojtas, Lukasz; Ma, Shengqian; Nolas, George S.","Thermal Conductivity of Perovskite-type Metal-Organic Framework Crystal","Dalton Trans.","2017","","","","","10.1039/C7DT02927F","","","1.54178","CuKα","","0.0563","0.0388","","","0.0858","0.0951","","","","","","1.046","","","","has coordinates","200194","2020-10-21","18:00:00",""
"7044115","8.5725","0.0002","11.6308","0.0003","7.8437","0.0002","90","","90","","90","","782.06","0.03","353","2","353","","","","","","","","","5","P n m a","-P 2ac 2n","62","","","","- C3 H8 Co N2 O6 -","- C3 H8 Co N2 O6 -","- C12 H32 Co4 N8 O24 -","4","0.5","","Gunatilleke, Wilarachchige D. C. Bhagya; Wei, Kaya; Niu, Zheng; Wojtas, Lukasz; Ma, Shengqian; Nolas, George S.","Thermal Conductivity of Perovskite-type Metal-Organic Framework Crystal","Dalton Trans.","2017","","","","","10.1039/C7DT02927F","","","1.54178","CuKα","","0.0346","0.0278","","","0.0639","0.0676","","","","","","1.132","","","","has coordinates,has disorder","200194","2020-10-21","18:00:00",""
"7044116","8.6505","0.0002","7.7272","0.0002","11.4884","0.0003","90","","90","","90","","767.93","0.03","100","2","100.01","","","","","","","","","5","P n a 21","P 2c -2n","33","","","","- C3 H8 Co N2 O6 -","- C3 H8 Co N2 O6 -","- C12 H32 Co4 N8 O24 -","4","1","","Gunatilleke, Wilarachchige D. C. Bhagya; Wei, Kaya; Niu, Zheng; Wojtas, Lukasz; Ma, Shengqian; Nolas, George S.","Thermal Conductivity of Perovskite-type Metal-Organic Framework Crystal","Dalton Trans.","2017","","","","","10.1039/C7DT02927F","","","1.54178","CuKα","","0.0423","0.0321","","","0.0684","0.073","","","","","","1.041","","","","has coordinates","200194","2020-10-21","18:00:00",""
"7044117","10.358","0.002","19.359","0.003","20.131","0.003","90","","100.144","0.004","90","","3973.6","1.1","100","2","100","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C46 H50 N4 Zn -","- C46 H50 N4 Zn -","- C184 H200 N16 Zn4 -","4","0.5","","Martínez, Antonio; Moreno-Blázquez, Sonia; Rodriguez-Dieguez, Antonio; Ramos, Alberto; Fernandez-Galan, Rafael; Antiñolo, Antonio; CARRILLO-HERMOSILLA, FERNANDO","Simple ZnEt2 as catalyst in carbodiimide hydroalkynylation: structural and mechanistic studies","Dalton Trans.","2017","","","","","10.1039/C7DT02700A","","","0.71069","MoKα","","0.0523","0.0348","","","0.0676","0.0735","","","","","","1.05","","","","has coordinates","200195","2020-10-21","18:00:00",""
"7044118","9.3796","0.0008","15.6315","0.0013","24.742","0.002","90","","90","","90","","3627.6","0.5","100","2","100","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C39 H47 N5 O Zn -","- C39 H47 N5 O Zn -","- C156 H188 N20 O4 Zn4 -","4","1","","Martínez, Antonio; Moreno-Blázquez, Sonia; Rodriguez-Dieguez, Antonio; Ramos, Alberto; Fernandez-Galan, Rafael; Antiñolo, Antonio; CARRILLO-HERMOSILLA, FERNANDO","Simple ZnEt2 as catalyst in carbodiimide hydroalkynylation: structural and mechanistic studies","Dalton Trans.","2017","","","","","10.1039/C7DT02700A","","","0.71073","MoKα","","0.1177","0.0706","","","0.1466","0.1732","","","","","","1.026","","","","has coordinates","200195","2020-10-21","18:00:00",""
"7044119","11.241","0.002","9.865","0.002","19.417","0.004","90","","94","0.003","90","","2148","0.7","290","2","290","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C24 H29 N3 O -","- C24 H29 N3 O -","- C96 H116 N12 O4 -","4","1","","Martínez, Antonio; Moreno-Blázquez, Sonia; Rodriguez-Dieguez, Antonio; Ramos, Alberto; Fernandez-Galan, Rafael; Antiñolo, Antonio; CARRILLO-HERMOSILLA, FERNANDO","Simple ZnEt2 as catalyst in carbodiimide hydroalkynylation: structural and mechanistic studies","Dalton Trans.","2017","","","","","10.1039/C7DT02700A","","","0.71073","MoKα","","0.1163","0.052","","","0.1234","0.1517","","","","","","0.948","","","","has coordinates","200195","2020-10-21","18:00:00",""
"7044120","9.1553","0.0004","13.1015","0.0006","15.1781","0.0014","75.648","0.001","73.492","0.001","78.631","0.002","1675.26","0.19","100","2","100","2","","","","","","","","4","P -1","-P 1","2","","","","- C34 H48 N4 Zn2 -","- C34 H48 N4 Zn2 -","- C68 H96 N8 Zn4 -","2","1","","Martínez, Antonio; Moreno-Blázquez, Sonia; Rodriguez-Dieguez, Antonio; Ramos, Alberto; Fernandez-Galan, Rafael; Antiñolo, Antonio; CARRILLO-HERMOSILLA, FERNANDO","Simple ZnEt2 as catalyst in carbodiimide hydroalkynylation: structural and mechanistic studies","Dalton Trans.","2017","","","","","10.1039/C7DT02700A","","","0.71069","MoKα","","0.0287","0.0228","","","0.0572","0.0601","","","","","","1.094","","","","has coordinates","200195","2020-10-21","18:00:00",""
"7044121","36.64","0.01","9.4509","0.001","34.379","0.006","90","","98.993","0.011","90","","11758","4","100","2","100","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C59 H76 N9 Zn2 -","- C60 H76 N8 Zn2 -","- C480 H608 N64 Zn16 -","8","1","","Martínez, Antonio; Moreno-Blázquez, Sonia; Rodriguez-Dieguez, Antonio; Ramos, Alberto; Fernandez-Galan, Rafael; Antiñolo, Antonio; CARRILLO-HERMOSILLA, FERNANDO","Simple ZnEt2 as catalyst in carbodiimide hydroalkynylation: structural and mechanistic studies","Dalton Trans.","2017","","","","","10.1039/C7DT02700A","","","0.71073","MoKα","","0.0812","0.0548","","","0.137","0.1561","","","","","","1.025","","","","has coordinates","200195","2020-10-21","18:00:00",""
"7044122","8.7613","0.0006","14.3003","0.0009","14.483","0.001","107.455","0.002","95.552","0.002","101.371","0.002","1673.3","0.2","298","2","298","2","","","","","","","","5","P -1","-P 1","2","","","","- C12 H44 I4 Mn2 N12 -","- C12 H44 I4 Mn2 N12 -","- C24 H88 I8 Mn4 N24 -","2","1","","Chen, Xin; xue, chen; Liu, Shao-Xian; Liu, Jian-Lan; Yao, Zhi-Yuan; Ren, XiaoMing","Fluorite-type coordination compound as iodide ion conductors: crystal structure and ionic conductivity","Dalton Trans.","2017","","","","","10.1039/C7DT02458D","","","0.71073","MoKα","","0.0669","0.0362","","","0.066","0.0732","","","","","","1.043","","","","has coordinates,has disorder","200196","2020-10-21","18:00:00",""
"7044123","6.6507","0.0005","8.7986","0.0007","15.474","0.0012","94.27","0.001","96.064","0.001","106.449","0.001","858.38","0.12","120","2","120","2","","","","","","","","5","P -1","-P 1","2","Pt(MCO)2, yellow","Pt(II) bis-morpholyl-cyanoxime","","- C14 H16 N6 O6 Pt -","- C14 H16 N6 O6 Pt -","- C28 H32 N12 O12 Pt2 -","2","1","","Cheadle, Carl; Ratcliff, Jessica; Berezin, Mikhail Y.; Pal'shin, Vadim; Nemykin, Victor; Gerasimchuk, Nikolay","Shortwave infrared luminescent Pt-nanowires: mechanistic study of emission in solution and solid state","Dalton Trans.","2017","","","","","10.1039/C7DT02317K","","","0.71073","MoKα","","0.0217","0.0193","","","0.0352","0.0359","","","","","","1.043","","","","has coordinates","200261","2020-10-21","18:00:00",""
"7044124","6.6743","0.001","17.455","0.003","30.557","0.005","90","","90","","90","","3559.9","1","100","2","100","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","Pt(PiPCO)2, yellow","cis-Pt(II)-bis(N-piperidine-cyanoxime)","","- C16 H20 N6 O4 Pt -","- C16 H20 N6 O4 Pt -","- C128 H160 N48 O32 Pt8 -","8","1","","Cheadle, Carl; Ratcliff, Jessica; Berezin, Mikhail Y.; Pal'shin, Vadim; Nemykin, Victor; Gerasimchuk, Nikolay","Shortwave infrared luminescent Pt-nanowires: mechanistic study of emission in solution and solid state","Dalton Trans.","2017","","","","","10.1039/C7DT02317K","","","0.71073","MoKα","","0.1267","0.0538","","","0.1076","0.1385","","","","","","0.98","","","","has coordinates","200261","2020-10-21","18:00:00",""
"7044125","6.8051","0.0009","13.6157","0.0017","24.278","0.003","76.556","0.001","89.595","0.002","75.966","0.002","2119.7","0.5","150","2","150","2","","","","","","","","6","P -1","-P 1","2","Pt(MCO)2 red dimer","","","- C16 H22 N6 O7 Pt S -","- C16 H22 N6 O7 Pt S -","- C64 H88 N24 O28 Pt4 S4 -","4","2","","Cheadle, Carl; Ratcliff, Jessica; Berezin, Mikhail Y.; Pal'shin, Vadim; Nemykin, Victor; Gerasimchuk, Nikolay","Shortwave infrared luminescent Pt-nanowires: mechanistic study of emission in solution and solid state","Dalton Trans.","2017","","","","","10.1039/C7DT02317K","","","0.8856","synchrotron","","0.047","0.0441","","","0.1308","0.1331","","","","","","1.029","","","","has coordinates","200261","2020-10-21","18:00:00",""
"7044126","19.403","0.002","19.403","0.002","21.606","0.005","90","","90","","120","","7044.4","1.9","273","2","273","2","","","","","","","","5","P -3 c 1","-P 3 2""c","165","","","","- C44 H42 N4 Ni3 O16 -","- C44 H38 N4 Ni3 O16 -","- C264 H228 N24 Ni18 O96 -","6","0.5","","Wang, Junli; Bai, Yan; Pan, Hui; Zheng, Guang-Shui; Dang, Dong-Bin","Long-range magnetic ordering in a metal-organic framework based on octanuclear nickel(II) clusters","Dalton Trans.","2017","","","","","10.1039/C7DT02889J","","","0.71073","MoKα","","0.0955","0.0709","","","0.1544","0.1619","","","","","","1.014","","","","has coordinates,has disorder","200262","2020-10-21","18:00:00",""
"7044127","9.865","0.001","16.262","0.002","16.402","0.002","90","","92.28","0.01","90","","2629.2","0.5","100","","100","","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C20 H48 Fe N8 -","- C20 H48 Fe N8 -","- C80 H192 Fe4 N32 -","4","0.5","","Soussi, Khaled; Mishra, Shashank; Jeanneau, Erwann; Millet, Jean-Marc M; Daniele, Stephane","Asymmetrically substituted triazenes as poor electron donor ligands in the precursor chemistry of iron(II) for iron-based metallic and intermetallic nanocrystals","Dalton Trans.","2017","","","","","10.1039/C7DT02755A","","x-ray","0.71073","MoKα","","0.0572","0.0487","","0.1013","0.0907","0.1013","","","","","","0.9633","","","","has coordinates","200263","2020-10-21","18:00:00",""
"7044128","19.647","0.001","16.484","0.002","8.9926","0.0009","90","","90","","90","","2912.4","0.5","250","","250","","","","","","","","","4","P 21 21 2","P 2 2ab","18","","","","- C22 H52 Fe N8 -","- C22 H52 Fe N8 -","- C88 H208 Fe4 N32 -","4","1","","Soussi, Khaled; Mishra, Shashank; Jeanneau, Erwann; Millet, Jean-Marc M; Daniele, Stephane","Asymmetrically substituted triazenes as poor electron donor ligands in the precursor chemistry of iron(II) for iron-based metallic and intermetallic nanocrystals","Dalton Trans.","2017","","","","","10.1039/C7DT02755A","","x-ray","1.54184","CuKα","","0.135","0.1143","","0.2574","0.2187","0.2574","","","","","","0.9885","","","","has coordinates","200263","2020-10-21","18:00:00",""
"7044129","9.6188","0.0002","16.6011","0.0002","18.2778","0.0003","90","","98.1363","0.0018","90","","2889.27","0.09","150","","150","","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C22 H52 Fe N8 -","- C22 H52 Fe N8 -","- C88 H208 Fe4 N32 -","4","0.5","","Soussi, Khaled; Mishra, Shashank; Jeanneau, Erwann; Millet, Jean-Marc M; Daniele, Stephane","Asymmetrically substituted triazenes as poor electron donor ligands in the precursor chemistry of iron(II) for iron-based metallic and intermetallic nanocrystals","Dalton Trans.","2017","","","","","10.1039/C7DT02755A","","x-ray","0.71073","MoKα","","0.0445","0.039","","0.0652","0.0624","0.0652","","","","","","0.9754","","","","has coordinates","200263","2020-10-21","18:00:00",""
"7044130","17.6602","0.0003","8.9362","0.0002","15.8756","0.0003","90","","90","","90","","2505.41","0.08","150","","150","","","","","","","","","4","P n a 21","P 2c -2n","33","","","","- C18 H44 Fe N8 -","- C18 H44 Fe N8 -","- C72 H176 Fe4 N32 -","4","1","","Soussi, Khaled; Mishra, Shashank; Jeanneau, Erwann; Millet, Jean-Marc M; Daniele, Stephane","Asymmetrically substituted triazenes as poor electron donor ligands in the precursor chemistry of iron(II) for iron-based metallic and intermetallic nanocrystals","Dalton Trans.","2017","","","","","10.1039/C7DT02755A","","x-ray","0.71073","MoKα","","0.0688","0.0591","","0.1271","0.1162","0.1271","","","","","","0.9578","","","","has coordinates,has disorder","200263","2020-10-21","18:00:00",""
"7044131","11.6511","0.0006","12.0536","0.0006","17.6908","0.0008","74.669","0.001","84.77","0.001","76.63","0.001","2329.9","0.2","299","2","299","2","","","","","","","","8","P -1","-P 1","2","","","","- C48 H49 B Cu F4 N5 O P2 -","- C48 H49 B Cu F4 N5 O P2 -","- C96 H98 B2 Cu2 F8 N10 O2 P4 -","2","1","","Chen, Jing-Lin; Zeng, Xue-Hua; Luo, Yan-Sheng; Wang, Wan-Man; He, Li-Hua; Liu, Sui-Jun; Wen, He-Rui; Wong, Wai-Yeung (Raymond); Huang, S.P.","Synthesis, structure, and photophysical properties of copper(I) triphenylphosphine complexes with functionalized 3-(2′-pyrimidinyl)-1,2,4-triazole ligands","Dalton Trans.","2017","","","","","10.1039/C7DT02848B","","","0.71073","MoKα","","0.0859","0.0533","","","0.1373","0.1559","","","","","","1.036","","","","has coordinates,has disorder","200264","2020-10-21","18:00:00",""
"7044132","13.7615","0.0014","18.8631","0.0019","34.938","0.004","90","","90","","90","","9069.4","1.7","299","2","299","2","","","","","","","","8","P b c a","-P 2ac 2ab","61","","","","- C44 H36 Cl3 Cu F3 N5 O4 P2 -","- C44 H36 Cl3 Cu F3 N5 O4 P2 -","- C352 H288 Cl24 Cu8 F24 N40 O32 P16 -","8","1","","Chen, Jing-Lin; Zeng, Xue-Hua; Luo, Yan-Sheng; Wang, Wan-Man; He, Li-Hua; Liu, Sui-Jun; Wen, He-Rui; Wong, Wai-Yeung (Raymond); Huang, S.P.","Synthesis, structure, and photophysical properties of copper(I) triphenylphosphine complexes with functionalized 3-(2′-pyrimidinyl)-1,2,4-triazole ligands","Dalton Trans.","2017","","","","","10.1039/C7DT02848B","","","0.71073","MoKα","","0.1161","0.0735","","","0.1617","0.1852","","","","","","1.086","","","","has coordinates","200264","2020-10-21","18:00:00",""
"7044133","11.632","0.002","11.837","0.002","17.411","0.003","75.43","0.03","85.99","0.03","76.98","0.03","2260.3","0.8","153","2","153","2","","","","","","","","7","P -1","-P 1","2","","","","- C48 H49 Cl Cu N5 O5 P2 -","- C48 H49 Cl Cu N5 O5 P2 -","- C96 H98 Cl2 Cu2 N10 O10 P4 -","2","1","","Chen, Jing-Lin; Zeng, Xue-Hua; Luo, Yan-Sheng; Wang, Wan-Man; He, Li-Hua; Liu, Sui-Jun; Wen, He-Rui; Wong, Wai-Yeung (Raymond); Huang, S.P.","Synthesis, structure, and photophysical properties of copper(I) triphenylphosphine complexes with functionalized 3-(2′-pyrimidinyl)-1,2,4-triazole ligands","Dalton Trans.","2017","","","","","10.1039/C7DT02848B","","","0.71073","synchrotron","","0.0347","0.031","","","0.0784","0.0803","","","","","","1.059","","","","has coordinates","200264","2020-10-21","18:00:00",""
"7044134","17.376","0.004","21.438","0.004","24.102","0.005","65.81","0.03","70.12","0.03","88.58","0.03","7633","4","153","2","153","2","","","","","","","","7","P -1","-P 1","2","","","","- C83 H75 Cl3 Cu2 N5 O8 P4 -","- C83 H75 Cl3 Cu2 N5 O8 P4 -","- C332 H300 Cl12 Cu8 N20 O32 P16 -","4","2","","Chen, Jing-Lin; Zeng, Xue-Hua; Luo, Yan-Sheng; Wang, Wan-Man; He, Li-Hua; Liu, Sui-Jun; Wen, He-Rui; Wong, Wai-Yeung (Raymond); Huang, S.P.","Synthesis, structure, and photophysical properties of copper(I) triphenylphosphine complexes with functionalized 3-(2′-pyrimidinyl)-1,2,4-triazole ligands","Dalton Trans.","2017","","","","","10.1039/C7DT02848B","","","0.71073","synchrotron","","0.1099","0.0874","","","0.2795","0.2954","","","","","","1.036","","","","has coordinates","203412","2020-10-21","18:00:00",""
"7044135","15.271","0.003","19.673","0.004","45.524","0.009","90","","90","","90","","13677","5","153","2","153","2","","","","","","","","8","P b c a","-P 2ac 2ab","61","","","","- C79 H63 Cl Cu2 F3 N5 O4 P4 -","- C79 H63 Cl Cu2 F3 N5 O4 P4 -","- C632 H504 Cl8 Cu16 F24 N40 O32 P32 -","8","1","","Chen, Jing-Lin; Zeng, Xue-Hua; Luo, Yan-Sheng; Wang, Wan-Man; He, Li-Hua; Liu, Sui-Jun; Wen, He-Rui; Wong, Wai-Yeung (Raymond); Huang, S.P.","Synthesis, structure, and photophysical properties of copper(I) triphenylphosphine complexes with functionalized 3-(2′-pyrimidinyl)-1,2,4-triazole ligands","Dalton Trans.","2017","","","","","10.1039/C7DT02848B","","","0.71073","synchrotron","","0.0369","0.0322","","","0.0878","0.0918","","","","","","1.027","","","","has coordinates","200264","2020-10-21","18:00:00",""
"7044136","11.8794","0.0006","12.0238","0.0007","18.0436","0.001","74.083","0.001","85.898","0.001","76.804","0.001","2412.9","0.2","295","2","295","2","","","","","","","","7","P -1","-P 1","2","","","","- C48 H49 Cu F6 N5 O P3 -","- C48 H49 Cu F6 N5 O P3 -","- C96 H98 Cu2 F12 N10 O2 P6 -","2","1","","Chen, Jing-Lin; Zeng, Xue-Hua; Luo, Yan-Sheng; Wang, Wan-Man; He, Li-Hua; Liu, Sui-Jun; Wen, He-Rui; Wong, Wai-Yeung (Raymond); Huang, S.P.","Synthesis, structure, and photophysical properties of copper(I) triphenylphosphine complexes with functionalized 3-(2′-pyrimidinyl)-1,2,4-triazole ligands","Dalton Trans.","2017","","","","","10.1039/C7DT02848B","","","0.71073","MoKα","","0.1028","0.0581","","","0.137","0.1583","","","","","","1.009","","","","has coordinates,has disorder","200264","2020-10-21","18:00:00",""
"7044137","3.4091","0.0001","9.2113","0.0004","14.3342","0.0007","90","","99.88","0.002","90","","443.45","0.03","100","2","100","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C6 H4 Li2 N6 O4 -","- C6 H4 Li2 N6 O4 -","- C12 H8 Li4 N12 O8 -","2","0.5","","Bunzen, Hana; Lamp, Anton; Grzywa, Maciej; Barkschat, Christa; Volkmer, Dirk","Bistriazole-p-benzoquinone and its alkali salts: electrochemical behaviour in aqueous alkaline solutions","Dalton Trans.","2017","","","","","10.1039/C7DT02803B","","","0.71073","MoKα","","0.0611","0.0405","","","0.0893","0.0965","","","","","","1.062","","","","has coordinates","200361","2020-10-21","18:00:00",""
"7044138","10.4329","0.0007","15.5499","0.001","6.8575","0.0004","90","","100.221","0.002","90","","1094.84","0.12","293","2","293","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C6 H8 N6 Na2 O6 -","- C6 H8 N6 Na2 O6 -","- C24 H32 N24 Na8 O24 -","4","0.5","","Bunzen, Hana; Lamp, Anton; Grzywa, Maciej; Barkschat, Christa; Volkmer, Dirk","Bistriazole-p-benzoquinone and its alkali salts: electrochemical behaviour in aqueous alkaline solutions","Dalton Trans.","2017","","","","","10.1039/C7DT02803B","","","0.71073","MoKα","","0.0502","0.0346","","","0.0787","0.0841","","","","","","1.07","","","","has coordinates","200361","2020-10-21","18:00:00",""
"7044139","9.4207","0.0005","18.4255","0.0009","6.3412","0.0003","90","","110.193","0.003","90","","1033.06","0.09","100","2","100","2","","","","","","","","5","C 1 c 1","C -2yc","9","","","","- C6 H4 K2 N6 O4 -","- C6 H4 K2 N6 O4 -","- C24 H16 K8 N24 O16 -","4","1","","Bunzen, Hana; Lamp, Anton; Grzywa, Maciej; Barkschat, Christa; Volkmer, Dirk","Bistriazole-p-benzoquinone and its alkali salts: electrochemical behaviour in aqueous alkaline solutions","Dalton Trans.","2017","","","","","10.1039/C7DT02803B","","","0.71073","MoKα","","0.0827","0.0557","","","0.113","0.1222","","","","","","1.055","","","","has coordinates","200361","2020-10-21","18:00:00",""
"7044140","11.797","0.003","10.941","0.003","19.404","0.006","90","","97.804","0.006","90","","2481.3","1.2","298","2","298","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C40 H44 Cl6 N8 Pd3 S2 -","- C40 H44 Cl6 N8 Pd3 S2 -","- C80 H88 Cl12 N16 Pd6 S4 -","2","0.5","","Singh, Ajai kumar; Dubey, Pooja; Gupta, Sonu","Trinuclear complexes of palladium(II) with chalcogenated N-heterocyclic carbenes: catalysis of selective nitrile-primary amide interconversion and Sonogashira coupling","Dalton Trans.","2017","","","","","10.1039/C7DT02592K","","","0.71073","MoKα","","0.0978","0.0632","","","0.1383","0.1523","","","","","","1.091","","","","has coordinates","200362","2020-10-21","18:00:00",""
"7044141","8.38","0.002","11.721","0.003","14.883","0.004","67.79","0.02","81.88","0.03","82.02","0.02","1334","0.6","298","2","298","2","","","","","","","","6","P -1","-P 1","2","","","","- C44 H50 Cl6 N10 Pd3 Se2 -","- C44 H50 Cl6 N10 Pd3 Se2 -","- C44 H50 Cl6 N10 Pd3 Se2 -","1","0.5","","Singh, Ajai kumar; Dubey, Pooja; Gupta, Sonu","Trinuclear complexes of palladium(II) with chalcogenated N-heterocyclic carbenes: catalysis of selective nitrile-primary amide interconversion and Sonogashira coupling","Dalton Trans.","2017","","","","","10.1039/C7DT02592K","","","0.71073","MoKα","","0.0499","0.0391","","","0.073","0.0764","","","","","","0.911","","","","has coordinates","200362","2020-10-21","18:00:00",""
"7044142","8.1012","0.0005","26.3989","0.0016","6.9887","0.0004","90","","133.198","0.0015","90","","1089.58","0.12","293","","293","2","","","","","","","Mechanochemical synthesis","4","P 1 21/c 1","-P 2ybc","14","Sr Tetrafluorophthalate dihydrate","Sr Tetrafluorophthalate dihydrate","Sr Tetrafluorophthalate dihydrate","- C8 F4 O6 Sr -","- C8 F4 O6 Sr -","- C32 F16 O24 Sr4 -","4","1","","Al-Terkawi, Abdal-Azim; Scholz, Gudrun; Emmerling, Franziska; Kemnitz, Erhard","Strontium-Coordination Polymers based on Tetrafluorophthalic and Phthalic acids: Mechanochemical Synthesis, ab initio Structures Determination, and Spectroscopic Characterization.","Dalton Trans.","2017","","","","","10.1039/C7DT02564E","powder diffraction","x-ray","1.5406","CuKα~1~","","","","","","","","","1.558","3.64","","","","","","","has coordinates","200363","2020-10-21","18:00:00",""
"7044143","12.61241","0.00018","14.33484","0.00015","5.93056","0.00006","90","","86.2579","0.001","90","","1069.94","0.02","293","","293","2","","","","","","","Mechanochemical synthesis","4","P 1 21/c 1","-P 2ybc","14","Sr Phthalate Trihydrate","Sr Phthalate Trihydrate","Sr Phthalate trihydrate","- C8 H4 O7 Sr -","- C8 H4 O7 Sr -","- C32 H16 O28 Sr4 -","4","1","","Al-Terkawi, Abdal-Azim; Scholz, Gudrun; Emmerling, Franziska; Kemnitz, Erhard","Strontium-Coordination Polymers based on Tetrafluorophthalic and Phthalic acids: Mechanochemical Synthesis, ab initio Structures Determination, and Spectroscopic Characterization.","Dalton Trans.","2017","","","","","10.1039/C7DT02564E","powder diffraction","x-ray","1.54056","CuKα~1~","","","","","","","","","2.302","2.97","","","","","","","has coordinates","200363","2020-10-21","18:00:00",""
"7044144","18.8513","0.0018","19.2733","0.0019","20.608","0.002","70.24","0.001","76.591","0.002","68.825","0.001","6519.2","1.1","298","2","298","2","","","","","","","","6","P -1","-P 1","2","","","","- C95 H144 Fe6 N6 O21 Tb -","- C95 H144 Fe6 N6 O21 Tb -","- C190 H288 Fe12 N12 O42 Tb2 -","2","1","","yang, wei; Yang, Hua; Zeng, Suyuan; Li, DaCheng; Dou, Jianmin","Unprecedented Family of Heterometallic LnІІІ[18-Metallacrown-6] Complexes: Syntheses, Structures and Magnetic Properties","Dalton Trans.","2017","","","","","10.1039/C7DT02735D","","","0.71073","MoKα","","0.0949","0.0513","","","0.1246","0.1346","","","","","","1.004","","","","has coordinates","200364","2020-10-21","18:00:00",""
"7044145","18.8699","0.0015","19.302","0.0017","20.6676","0.0018","70.124","0.001","76.593","0.002","68.837","0.001","6550.5","1","298","2","298","2","","","","","","","","6","P -1","-P 1","2","","","","- C95 H145 Fe6 N6 O21 Y -","- C95 H145 Fe6 N6 O21 Y -","- C190 H290 Fe12 N12 O42 Y2 -","2","1","","yang, wei; Yang, Hua; Zeng, Suyuan; Li, DaCheng; Dou, Jianmin","Unprecedented Family of Heterometallic LnІІІ[18-Metallacrown-6] Complexes: Syntheses, Structures and Magnetic Properties","Dalton Trans.","2017","","","","","10.1039/C7DT02735D","","","0.71073","MoKα","","0.1409","0.0583","","","0.1105","0.1181","","","","","","1.039","","","","has coordinates,has disorder","200364","2020-10-21","18:00:00",""
"7044146","18.8852","0.0016","19.3133","0.0017","20.5899","0.0018","69.34","0.001","76.908","0.002","68.029","0.001","6477.8","1","298","2","298","2","","","","","","","","6","P -1","-P 1","2","","","","- C95 H144 Fe6 Gd N6 O21 -","- C95 H144 Fe6 Gd N6 O21 -","- C190 H288 Fe12 Gd2 N12 O42 -","2","1","","yang, wei; Yang, Hua; Zeng, Suyuan; Li, DaCheng; Dou, Jianmin","Unprecedented Family of Heterometallic LnІІІ[18-Metallacrown-6] Complexes: Syntheses, Structures and Magnetic Properties","Dalton Trans.","2017","","","","","10.1039/C7DT02735D","","","0.71073","MoKα","","0.1564","0.0824","","","0.1786","0.1938","","","","","","1.019","","","","has coordinates","200364","2020-10-21","18:00:00",""
"7044147","18.9271","0.0017","19.4263","0.0018","20.7719","0.0019","70.064","0.001","76.612","0.002","68.99","0.001","6650.3","1.1","298","2","298","2","","","","","","","","6","P -1","-P 1","2","","","","- C95 H144 Dy Fe6 N6 O21 -","- C95 H144 Dy Fe6 N6 O21 -","- C190 H288 Dy2 Fe12 N12 O42 -","2","1","","yang, wei; Yang, Hua; Zeng, Suyuan; Li, DaCheng; Dou, Jianmin","Unprecedented Family of Heterometallic LnІІІ[18-Metallacrown-6] Complexes: Syntheses, Structures and Magnetic Properties","Dalton Trans.","2017","","","","","10.1039/C7DT02735D","","","0.71073","MoKα","","0.1127","0.0563","","","0.1225","0.1326","","","","","","1.01","","","","has coordinates","200364","2020-10-21","18:00:00",""
"7044148","13.489","0.003","18.283","0.005","22.941","0.006","66.815","0.004","89.408","0.004","88.24","0.005","5198","2","100","2","100","2","","","","","","","","4","P -1","-P 1","2","","Di(tri(dimethoxyethane)lithium)-5,6:11,12-di-o-phenylenetetracene","","- C54 H76 Li2 O12 -","- C54 H76 Li2 O12 -","- C216 H304 Li8 O48 -","4","2","","Schneider, Joerg J.; Wombacher, Tobias; Goddard, Richard; Lehmann, Christian W.","Bowl shaped deformation in a planar aromatic polycycle upon reduction. Li and Na separated dianions of the aromatic polycycle 5,6:11,12-di-o-phenylene-tetracene","Dalton Trans.","2017","","","","","10.1039/C7DT03039H","","","0.71073","Mo-Kα","","0.1384","0.1057","","","0.3139","0.3375","","","","","","1.432","","","","has coordinates","200365","2020-10-21","18:00:00",""
"7044149","12.101","0.002","13.542","0.002","15.849","0.003","90","","102.704","0.003","90","","2533.6","0.7","100","2","100","2","","","","","","","diglyme","4","P 1 21/n 1","-P 2yn","14","","5,6:11,12-di-o-phenylenetetracene tetra(diglyme)disodium","","- C54 H72 Na2 O12 -","- C54 H72 Na2 O12 -","- C108 H144 Na4 O24 -","2","0.5","","Schneider, Joerg J.; Wombacher, Tobias; Goddard, Richard; Lehmann, Christian W.","Bowl shaped deformation in a planar aromatic polycycle upon reduction. Li and Na separated dianions of the aromatic polycycle 5,6:11,12-di-o-phenylene-tetracene","Dalton Trans.","2017","","","","","10.1039/C7DT03039H","","","0.71073","Mo-Kα","","0.0729","0.0534","","","0.1356","0.1546","","","","","","1.052","","","","has coordinates,has disorder","200365","2020-10-21","18:00:00",""
"7044150","13.369","0.003","18.451","0.004","23.373","0.005","67.147","0.004","89.198","0.004","88.091","0.004","5310","2","100","2","100","2","","","","","","","dimethoxyethane","4","P -1","-P 1","2","","5,6:11,12-di-o-phenylenetetracene di(tris(dimethoxyethane)sodium)","","- C54 H62.5 Na2 O12 -","- C54 H62.5 Na2 O12 -","- C216 H250 Na8 O48 -","4","2","","Schneider, Joerg J.; Wombacher, Tobias; Goddard, Richard; Lehmann, Christian W.","Bowl shaped deformation in a planar aromatic polycycle upon reduction. Li and Na separated dianions of the aromatic polycycle 5,6:11,12-di-o-phenylene-tetracene","Dalton Trans.","2017","","","","","10.1039/C7DT03039H","","","0.71073","Mo-Kα","","0.1401","0.1004","","","0.2757","0.3029","","","","","","1.195","","","","has coordinates,has disorder","200365","2020-10-21","18:00:00",""
"7044151","9.459","0.002","9.459","0.002","26.619","0.01","90","","90","","120","","2062.6","1","293","2","293","2","","","","","","","","4","R -3 :H","-R 3","148","","","","- C12 H9 Bi S3 -","- C12 H9 Bi S3 -","- C72 H54 Bi6 S18 -","6","0.333333","","Preda, Ana Maria; Schneider, Wolfgang B.; Schaarschmidt, Dieter; Lang, Heinrich; Mertens, Lutz; Auer, Alexander A.; Mehring, Michael","The role of dispersion type metal···π interaction in the enantiotropic phase transition of two polymorphs of tris-(thienyl)bismuthine","Dalton Trans.","2017","","","","","10.1039/C7DT02567J","","","0.71073","MoKα","","0.0615","0.0386","","","0.0807","0.0844","","","","","","0.856","","","","has coordinates,has disorder","200392","2020-10-21","18:00:00",""
"7044152","9.1244","0.0004","9.6705","0.0005","13.0817","0.0006","80.651","0.001","71.163","0.001","87.577","0.001","1077.9","0.09","173","2","173","2","","","","","","","","5","P -1","-P 1","2","","","","- C25 H25 Ga N2 O3 -","- C25 H25 Ga N2 O3 -","- C50 H50 Ga2 N4 O6 -","2","1","","SPECKLIN, David; Fliedel, Christophe; Hild, Frédéric; Mameri, Samir; Karmazin, Lydia; Bailly, Corinne; Dagorne, Samuel","Mononuclear Salen-gallium complexes for iso-selective ring-opening polymerization (ROP) of rac-lactide","Dalton Trans.","2017","","","","","10.1039/C7DT02730C","","","0.71073","MoKα","","0.0365","0.0288","","","0.0681","0.071","","","","","","1.03","","","","has coordinates","200393","2020-10-21","18:00:00",""
"7044153","12.03","0.0009","12.2963","0.0009","13.1541","0.001","88.949","0.002","85.029","0.002","65.474","0.002","1763.3","0.2","173","2","173","2","","","","","","","","6","P -1","-P 1","2","","","","- C75 H96 Cl2 Ga2 N4 O6 -","- C75 H96 Cl2 Ga2 N4 O6 -","- C75 H96 Cl2 Ga2 N4 O6 -","1","0.5","","SPECKLIN, David; Fliedel, Christophe; Hild, Frédéric; Mameri, Samir; Karmazin, Lydia; Bailly, Corinne; Dagorne, Samuel","Mononuclear Salen-gallium complexes for iso-selective ring-opening polymerization (ROP) of rac-lactide","Dalton Trans.","2017","","","","","10.1039/C7DT02730C","","","0.71073","MoKα","","0.0551","0.0423","","","0.104","0.1103","","","","","","1.028","","","","has coordinates","200393","2020-10-21","18:00:00",""
"7044154","14.5412","0.0008","15.0572","0.0009","15.8683","0.001","102.211","0.002","101.113","0.001","110.361","0.002","3046.1","0.3","173","2","173","2","","","","","","","","5","P -1","-P 1","2","","","","- C64 H80 Ga2 N4 O5 -","- C64 H80 Ga2 N4 O5 -","- C128 H160 Ga4 N8 O10 -","2","1","","SPECKLIN, David; Fliedel, Christophe; Hild, Frédéric; Mameri, Samir; Karmazin, Lydia; Bailly, Corinne; Dagorne, Samuel","Mononuclear Salen-gallium complexes for iso-selective ring-opening polymerization (ROP) of rac-lactide","Dalton Trans.","2017","","","","","10.1039/C7DT02730C","","","0.71073","MoKα","","0.0972","0.0481","","","0.0981","0.1133","","","","","","0.999","","","","has coordinates,has disorder","200393","2020-10-21","18:00:00",""
"7044155","12.015","0.0007","12.1751","0.0007","13.6371","0.0008","110.684","0.001","93.933","0.001","115.863","0.001","1619.56","0.17","173","2","173","2","","","","","","","","6","P -1","-P 1","2","","","","- C31 H41 Cl4 Ga N2 O2 -","- C31 H41 Cl4 Ga N2 O2 -","- C62 H82 Cl8 Ga2 N4 O4 -","2","1","","SPECKLIN, David; Fliedel, Christophe; Hild, Frédéric; Mameri, Samir; Karmazin, Lydia; Bailly, Corinne; Dagorne, Samuel","Mononuclear Salen-gallium complexes for iso-selective ring-opening polymerization (ROP) of rac-lactide","Dalton Trans.","2017","","","","","10.1039/C7DT02730C","","","0.71073","MoKα","","0.0738","0.0388","","","0.0688","0.0768","","","","","","1.027","","","","has coordinates","200393","2020-10-21","18:00:00",""
"7044156","13","0.003","13.848","0.003","14.499","0.003","76.215","0.005","74.526","0.004","85.504","0.005","2442.8","0.9","173","2","173","2","","","","","","","","5","P -1","-P 1","2","","","","- C52.5 H71 Ga N2 O4.5 -","- C49 H67 Ga N2 O4 -","- C98 H134 Ga2 N4 O8 -","2","1","","SPECKLIN, David; Fliedel, Christophe; Hild, Frédéric; Mameri, Samir; Karmazin, Lydia; Bailly, Corinne; Dagorne, Samuel","Mononuclear Salen-gallium complexes for iso-selective ring-opening polymerization (ROP) of rac-lactide","Dalton Trans.","2017","","","","","10.1039/C7DT02730C","","","0.71073","MoKα","","0.1888","0.0812","","","0.2048","0.2651","","","","","","1.038","","","","has coordinates","200393","2020-10-21","18:00:00",""
"7044157","28.5633","0.0017","10.0564","0.0006","18.6924","0.0011","90","","129.554","0.002","90","","4139.8","0.4","150","2","150","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","Compound_1","","- C20 H13 Cd2 N5 O5 -","- C20 H13 Cd2 N5 O5 -","- C160 H104 Cd16 N40 O40 -","8","1","","Ghorai, Pravat; Dey, Arka; Brandao, Paula; Ortega-Castro, Joaquin; Bauza, Antonio; Frontera, Antonio; Ray, Partha Pratim; Saha, Amrita","Development of a promising photosensitive Schottky barrier diode using a novel Cd(II) based coordination polymer","Dalton Trans.","2017","","","","","10.1039/C7DT02535A","","","0.71073","MoKα","","0.0571","0.033","","","0.0563","0.0634","","","","","","1.002","","","","has coordinates","200394","2020-10-21","18:00:00",""
"7044158","12.471","0.003","14.158","0.003","14.41","0.003","95.73","0.03","90.95","0.03","105.66","0.03","2435.1","1","173","2","173","2","","","","","","","","9","P -1","-P 1","2","","","","- C43 H40 Ag Cl3 F3 N3 O9 P2 S -","- C43 H40 Ag Cl3 F3 N3 O9 P2 S -","- C86 H80 Ag2 Cl6 F6 N6 O18 P4 S2 -","2","1","","Gimeno, M. Concepcion; Salvador-Gil, Daniel; Ortego, Lourdes; Herrera, Raquel P.; Marzo, Isabel","Highly active group 11 metal complexes with α- hydrazidophosphonate ligands","Dalton Trans.","2017","","","","","10.1039/C7DT02743E","","","0.71073","MoKα","","0.0562","0.0487","","","0.1166","0.1212","","","","","","1.068","","","","has coordinates","200571","2020-10-21","18:00:00",""
"7044159","13.114","0.003","15.701","0.003","21.412","0.004","89.03","0.03","88.03","0.03","78.01","0.03","4309.8","1.6","100","2","100","2","","","","","","","","8","P -1","-P 1","2","","","","- C42 H39 Ag F3 N3 O9 P2 S -","- C42 H39 Ag F3 N3 O9 P2 S -","- C168 H156 Ag4 F12 N12 O36 P8 S4 -","4","2","","Gimeno, M. Concepcion; Salvador-Gil, Daniel; Ortego, Lourdes; Herrera, Raquel P.; Marzo, Isabel","Highly active group 11 metal complexes with α- hydrazidophosphonate ligands","Dalton Trans.","2017","","","","","10.1039/C7DT02743E","","","0.71073","MoKα","","0.1322","0.089","","","0.1971","0.2193","","","","","","1.051","","","","has coordinates","200571","2020-10-21","18:00:00",""
"7044160","11.0532","0.0005","11.1257","0.0005","20.1637","0.001","90","","98.154","0.005","90","","2454.6","0.2","100","2","100","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C34 H48 Co F12 N14 O8 S4 -","- C34 H48 Co F12 N14 O8 S4 -","- C68 H96 Co2 F24 N28 O16 S8 -","2","0.5","","Sniekers, Jeroen; Geysens, Pieter; Malaquias, Joao; Vander Hoogerstraete, Tom; Van Meervelt, Luc; Fransaer, Jan; Binnemans, Koen","Cobalt(II) containing liquid metal salts for electrodeposition of cobalt and electrochemical nanoparticle formation","Dalton Trans.","2017","","","","","10.1039/C7DT02604H","","","0.71073","MoKα","","0.0358","0.0305","","","0.0681","0.0717","","","","","","1.035","","","","has coordinates","200574","2020-10-21","18:00:00",""
"7044161","11.15538","0.00016","12.3581","0.0003","21.4046","0.0003","90","","101.736","0.0015","90","","2889.14","0.09","100","2","100","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C40 H60 Co F12 N14 O8 S4 -","- C40 H60 Co F12 N14 O8 S4 -","- C80 H120 Co2 F24 N28 O16 S8 -","2","0.5","","Sniekers, Jeroen; Geysens, Pieter; Malaquias, Joao; Vander Hoogerstraete, Tom; Van Meervelt, Luc; Fransaer, Jan; Binnemans, Koen","Cobalt(II) containing liquid metal salts for electrodeposition of cobalt and electrochemical nanoparticle formation","Dalton Trans.","2017","","","","","10.1039/C7DT02604H","","","0.71073","MoKα","","0.0302","0.0266","","","0.0624","0.0648","","","","","","1.061","","","","has coordinates","200574","2020-10-21","18:00:00",""
"7044162","13.4995","0.0007","13.4995","0.0007","25.8633","0.0014","90","","90","","120","","4081.8","0.4","100","2","100","2","","","","","","","","6","R -3","-R 3","148","","","","- C44 H78 Co N12 O6 S2 -","- C44 H77.9994 Co N12 O6 S2 -","- C132 H233.998 Co3 N36 O18 S6 -","3","","","Sniekers, Jeroen; Geysens, Pieter; Malaquias, Joao; Vander Hoogerstraete, Tom; Van Meervelt, Luc; Fransaer, Jan; Binnemans, Koen","Cobalt(II) containing liquid metal salts for electrodeposition of cobalt and electrochemical nanoparticle formation","Dalton Trans.","2017","","","","","10.1039/C7DT02604H","","","0.71073","MoKα","","0.0464","0.0441","","","0.1157","0.1176","","","","","","1.056","","","","has coordinates,has disorder","200574","2020-10-21","18:00:00",""
"7044163","23.6765","0.0007","12.9804","0.0004","21.7673","0.0007","90","","112.358","0.004","90","","6186.9","0.4","99.9","0.2","99.9","0.2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C48 H81 Co1.5 N18 O9 S3 -","- C48 H81 Co1.5 N18 O9 S3 -","- C192 H324 Co6 N72 O36 S12 -","4","1","","Sniekers, Jeroen; Geysens, Pieter; Malaquias, Joao; Vander Hoogerstraete, Tom; Van Meervelt, Luc; Fransaer, Jan; Binnemans, Koen","Cobalt(II) containing liquid metal salts for electrodeposition of cobalt and electrochemical nanoparticle formation","Dalton Trans.","2017","","","","","10.1039/C7DT02604H","","","0.71073","MoKα","","0.0466","0.0368","","","0.0866","0.0921","","","","","","1.037","","","","has coordinates,has disorder","200574","2020-10-21","18:00:00",""
"7044164","8.8446","0.0003","15.7075","0.0006","17.6599","0.0007","88.763","0.003","80.229","0.003","85.243","0.003","2409.44","0.16","250.01","0.1","250.01","0.1","","","","","","","","6","P -1","-P 1","2","","","","- C38 H66 Co N12 O6 S2 -","- C38 H66 Co N12 O6 S2 -","- C76 H132 Co2 N24 O12 S4 -","2","1","","Sniekers, Jeroen; Geysens, Pieter; Malaquias, Joao; Vander Hoogerstraete, Tom; Van Meervelt, Luc; Fransaer, Jan; Binnemans, Koen","Cobalt(II) containing liquid metal salts for electrodeposition of cobalt and electrochemical nanoparticle formation","Dalton Trans.","2017","","","","","10.1039/C7DT02604H","","","0.71073","MoKα","","0.0829","0.0621","","","0.167","0.1852","","","","","","1.02","","","","has coordinates,has disorder","200574","2020-10-21","18:00:00",""
"7044165","9.6957","0.0003","17.4965","0.0006","18.8465","0.0006","88.258","0.003","89.339","0.003","80.363","0.003","3150.49","0.18","100","2","100","2","","","","","","","","7","P -1","-P 1","2","","","","- C46 H71 Co F12 N14 O8 S4 -","- C46 H71 Co F12 N14 O8 S4 -","- C92 H142 Co2 F24 N28 O16 S8 -","2","1","","Sniekers, Jeroen; Geysens, Pieter; Malaquias, Joao; Vander Hoogerstraete, Tom; Van Meervelt, Luc; Fransaer, Jan; Binnemans, Koen","Cobalt(II) containing liquid metal salts for electrodeposition of cobalt and electrochemical nanoparticle formation","Dalton Trans.","2017","","","","","10.1039/C7DT02604H","","","0.71073","MoKα","","0.0433","0.0352","","","0.08","0.0844","","","","","","1.031","","","","has coordinates","200574","2020-10-21","18:00:00",""
"7044166","23.557","0.002","3.7664","0.0004","12.4658","0.0013","90","","90.915","0.009","90","","1105.89","0.19","293","2","293","2","","","","","","","","3","C 1 2/m 1","-C 2y","12","","","","- Ga4 S15 Yb6 -","- Ga4 S15 Yb6 -","- Ga8 S30 Yb12 -","2","0.25","","Lin, Hua; Shen, Jinni; Zhu, Wei-Wei; Liu, Yi; Wu, Xin-Tao; Zhu, Qi-Long; Wu, Li-Ming","Two new phases in the ternary RE‒Ga‒S systems with unique interlinkage of GaS4 building units: synthesis, structure, and properties","Dalton Trans.","2017","","","","","10.1039/C7DT02545A","","","0.71073","MoKα","","0.0243","0.0232","","","0.0547","0.0555","","","","","","1.066","","","","has coordinates","200576","2020-10-21","18:00:00",""
"7044167","7.735","0.003","10.033","0.004","10.12","0.004","106.296","0.004","100.178","0.005","101.946","0.003","714.1","0.5","293","2","293","2","","","","","","","","3","P -1","-P 1","2","","","","- Ga Lu5 S9 -","- Ga Lu5 S9 -","- Ga2 Lu10 S18 -","2","1","","Lin, Hua; Shen, Jinni; Zhu, Wei-Wei; Liu, Yi; Wu, Xin-Tao; Zhu, Qi-Long; Wu, Li-Ming","Two new phases in the ternary RE‒Ga‒S systems with unique interlinkage of GaS4 building units: synthesis, structure, and properties","Dalton Trans.","2017","","","","","10.1039/C7DT02545A","","","0.71073","MoKα","","0.0299","0.0241","","","0.0553","0.0582","","","","","","1.057","","","","has coordinates","200576","2020-10-21","18:00:00",""
"7044168","12.4023","0.0004","16.1328","0.0005","19.4673","0.0006","74.601","0.003","82.797","0.002","81.024","0.002","3694.8","0.2","100.01","0.1","100.01","0.1","","","","","","","","7","P 1","P 1","1","","","","- C67 H95 Cl3 Dy N6 O7.5 Zn3 -","- C67 H90 Cl3 Dy N6 O7.5 Zn3 -","- C134 H180 Cl6 Dy2 N12 O15 Zn6 -","2","2","","Liu, Mei-Jiao; Yuan, Juan; Zhang, Yiquan; Sun, Hao-Ling; Liu, Cai-Ming; Kou, Hui-Zhong","Chiral six-coordinate Dy(III) and Tb(III) complexes of an achiral ligand: Structure, fluorescence, and magnetism","Dalton Trans.","2017","","","","","10.1039/C7DT02409F","","x-ray","0.71073","MoKα","","0.0575","0.0493","","","0.1247","0.1305","","","","","","1.036","","","","has coordinates","200579","2020-10-21","18:00:00",""
"7044169","12.4388","0.0003","16.1852","0.0004","19.6324","0.0005","74.39","0.002","82.638","0.002","80.894","0.002","3743.48","0.17","173","0.1","173","0.1","","","","","","","","7","P 1","P 1","1","","","","- C132 H186 Cl6 Dy2 N12 O15 Zn6 -","- C132 H180 Cl6 Dy2 N12 O15 Zn6 -","- C132 H180 Cl6 Dy2 N12 O15 Zn6 -","1","1","","Liu, Mei-Jiao; Yuan, Juan; Zhang, Yiquan; Sun, Hao-Ling; Liu, Cai-Ming; Kou, Hui-Zhong","Chiral six-coordinate Dy(III) and Tb(III) complexes of an achiral ligand: Structure, fluorescence, and magnetism","Dalton Trans.","2017","","","","","10.1039/C7DT02409F","","x-ray","0.71073","MoKα","","0.0513","0.043","","","0.1033","0.11","","","","","","1.012","","","","has coordinates","200579","2020-10-21","18:00:00",""
"7044170","12.4384","0.0004","16.3219","0.0005","19.7909","0.0006","74.076","0.003","82.733","0.002","80.874","0.002","3800.2","0.2","293","2","293","2","","","","","","","","7","P 1","P 1","1","","","","- C66 H93 Cl3 N6 O7.5 Tb Zn3 -","- C66 H90 Cl3 N6 O7.5 Tb Zn3 -","- C132 H180 Cl6 N12 O15 Tb2 Zn6 -","2","2","","Liu, Mei-Jiao; Yuan, Juan; Zhang, Yiquan; Sun, Hao-Ling; Liu, Cai-Ming; Kou, Hui-Zhong","Chiral six-coordinate Dy(III) and Tb(III) complexes of an achiral ligand: Structure, fluorescence, and magnetism","Dalton Trans.","2017","","","","","10.1039/C7DT02409F","","x-ray","1.54178","CuKα","","0.0665","0.0619","","","0.1662","0.1727","","","","","","1.04","","","","has coordinates,has disorder","200579","2020-10-21","18:00:00",""
"7044171","12.3376","0.0003","16.2163","0.0004","19.4135","0.0005","74.718","0.002","82.879","0.002","81.239","0.002","3688.67","0.16","100.2","0.9","100.2","0.9","","","","","","","","7","P 1","P 1","1","","","","- C66 H92 Cl3 N6 O7 Tb Zn3 -","- C66 H90 Cl3 N6 O7 Tb Zn3 -","- C132 H180 Cl6 N12 O14 Tb2 Zn6 -","2","2","","Liu, Mei-Jiao; Yuan, Juan; Zhang, Yiquan; Sun, Hao-Ling; Liu, Cai-Ming; Kou, Hui-Zhong","Chiral six-coordinate Dy(III) and Tb(III) complexes of an achiral ligand: Structure, fluorescence, and magnetism","Dalton Trans.","2017","","","","","10.1039/C7DT02409F","","x-ray","0.71073","MoKα","","0.0778","0.0623","","","0.1405","0.1507","","","","","","1.042","","","","has coordinates,has disorder","200579","2020-10-21","18:00:00",""
"7044172","21.6847","0.001","36.8675","0.0017","27.338","0.002","90","","98.212","0.006","90","","21632","2","293","2","293","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C127 H86 K2 N7 O18 Zn3 -","- C127 H86 K2 N7 O18 Zn3 -","- C508 H344 K8 N28 O72 Zn12 -","4","0.5","","He, Yan-ping; Yuan, Lv-Bing; Zhang, Jian","Polycatenation tuned microporosity of two metal‒tris(4'-carboxybiphenyl)amine frameworks with multilayer structures","Dalton Trans.","2017","","","","","10.1039/C7DT02976D","","","0.71073","MoKα","","0.175","0.0983","","","0.2504","0.2862","","","","","","0.898","","","","has coordinates","200581","2020-10-21","18:00:00",""
"7044173","21.1565","0.0007","21.6297","0.0006","34.339","0.0008","86.156","0.002","85.309","0.002","61.408","0.003","13744.3","0.8","100","","100","","","","","","","","","6","P -1","-P 1","2","","","","- C168 H120 K2 N8 O24 Zn4 -","- C168 H120 K2 N8 O24 Zn4 -","- C336 H240 K4 N16 O48 Zn8 -","2","1","","He, Yan-ping; Yuan, Lv-Bing; Zhang, Jian","Polycatenation tuned microporosity of two metal‒tris(4'-carboxybiphenyl)amine frameworks with multilayer structures","Dalton Trans.","2017","","","","","10.1039/C7DT02976D","","","1.54178","CuKα","","0.1147","0.0766","","","0.2095","0.2286","","","","","","0.977","","","","has coordinates","200581","2020-10-21","18:00:00",""
"7044174","25.3484","0.0005","25.3484","0.0005","25.3324","0.0005","90","","90","","90","","16277.1","0.6","160","2","160","2","","","","","","","","6","P 4/n n c","-P 4a 2bc","126","","","","- C77.33 H85.6 Fe2.98 N16.67 Ni6.02 O26.8 -","- C60 H58 Fe2.98053 N8 Ni6.01947 O26 -","- C360 H348 Fe17.8832 N48 Ni36.1168 O156 -","6","","","Georgopoulou, Anastasia N.; Al-Ameed, Karrar; Boudalis, Athanassios; Anagnostopoulos, Dimitrios F.; Psycharis, Vassilis; McGrady, John E.; Sanakis, Yiannis; Raptopoulou, Catherine P.","Site preferences in hetero-metallic [Fe9-xNix] clusters: a combined crystallographic, spectroscopic and theoretical analysis","Dalton Trans.","2017","","","","","10.1039/C7DT02930F","","","1.54178","CuKα","","0.068","0.0471","","","0.1307","0.1421","","","","","","1.067","","","","has coordinates","200584","2020-10-21","18:00:00",""
"7044175","25.4547","0.0004","25.4547","0.0004","25.6338","0.0004","90","","90","","90","","16609.2","0.5","220","2","220","2","","","","","","","","6","P 4/n n c","-P 4a 2bc","126","","","","- C77.33 H85.6 Fe1.54 N16.67 Ni7.46 O26.8 -","- C60 H58 Fe1.54053 N8 Ni7.46027 O26 -","- C360 H348 Fe9.2432 N48 Ni44.7616 O156 -","6","","","Georgopoulou, Anastasia N.; Al-Ameed, Karrar; Boudalis, Athanassios; Anagnostopoulos, Dimitrios F.; Psycharis, Vassilis; McGrady, John E.; Sanakis, Yiannis; Raptopoulou, Catherine P.","Site preferences in hetero-metallic [Fe9-xNix] clusters: a combined crystallographic, spectroscopic and theoretical analysis","Dalton Trans.","2017","","","","","10.1039/C7DT02930F","","","1.54178","CuKα","","0.0712","0.0546","","","0.1712","0.1842","","","","","","1.09","","","","has coordinates","200584","2020-10-21","18:00:00",""
"7044176","25.4102","0.0005","25.4102","0.0005","25.5493","0.0005","90","","90","","90","","16496.6","0.6","200","2","200","2","","","","","","","","6","P 4/n n c","-P 4a 2bc","126","","","","- C77.33 H85.6 Fe1.19 N16.67 Ni7.81 O26.8 -","- C60 H58 Fe1.1904 N8 Ni7.8096 O26 -","- C360 H348 Fe7.1424 N48 Ni46.8576 O156 -","6","","","Georgopoulou, Anastasia N.; Al-Ameed, Karrar; Boudalis, Athanassios; Anagnostopoulos, Dimitrios F.; Psycharis, Vassilis; McGrady, John E.; Sanakis, Yiannis; Raptopoulou, Catherine P.","Site preferences in hetero-metallic [Fe9-xNix] clusters: a combined crystallographic, spectroscopic and theoretical analysis","Dalton Trans.","2017","","","","","10.1039/C7DT02930F","","","1.54178","CuKα","","0.08","0.0633","","","0.1852","0.1969","","","","","","1.083","","","","has coordinates","200584","2020-10-21","18:00:00",""
"7044177","25.6264","0.0005","25.6264","0.0005","25.3002","0.0005","90","","90","","90","","16615","0.6","160","2","160","2","","","","","","","","6","P 4/n n c","-P 4a 2bc","126","","","","- C77.33 H85.6 Fe9 N16.67 Ni0 O26.8 -","- C60 H58 Fe9 N8 O26 -","- C360 H348 Fe54 N48 O156 -","6","","","Georgopoulou, Anastasia N.; Al-Ameed, Karrar; Boudalis, Athanassios; Anagnostopoulos, Dimitrios F.; Psycharis, Vassilis; McGrady, John E.; Sanakis, Yiannis; Raptopoulou, Catherine P.","Site preferences in hetero-metallic [Fe9-xNix] clusters: a combined crystallographic, spectroscopic and theoretical analysis","Dalton Trans.","2017","","","","","10.1039/C7DT02930F","","","1.54178","CuKα","","0.2477","0.2074","","","0.4505","0.4775","","","","","","1.567","","","","has coordinates","200584","2020-10-21","18:00:00",""
"7044178","9.8122","0.0014","20.3","0.003","16.2816","0.0011","90","","101.119","0.01","90","","3182.2","0.7","140","2","140","2","","","","","","","","6","I 1 2/a 1","-I 2ya","15","","Complex2","","- C33 H35 Au F6 N3 Sb -","- C33 H35 Au F6 N3 Sb -","- C132 H140 Au4 F24 N12 Sb4 -","4","0.5","","Williams, Morwen; Green, Adam I.; Fernandez-Cestau, Julio; Hughes, David L.; O'Connell, Maria Anne; Searcey, Mark; Bertrand, Benoît; Bochmann, Manfred","(C^Npz^C)AuIII complexes of acyclic carbene ligands: synthesis and anticancer properties","Dalton Trans.","2017","","","","","10.1039/C7DT02804K","","x-ray","0.71073","MoKα","","0.0458","0.0373","","","0.0902","0.0969","","","","","","1.024","","","","has coordinates,has disorder","200587","2020-10-21","18:00:00",""
"7044179","15.8481","0.0004","6.8636","0.0002","24.2184","0.0007","90","","106.999","0.003","90","","2519.26","0.13","293","2","293","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","Complex11a","","- C30 H32 Au N3 -","- C30 H32 Au N3 -","- C120 H128 Au4 N12 -","4","1","","Williams, Morwen; Green, Adam I.; Fernandez-Cestau, Julio; Hughes, David L.; O'Connell, Maria Anne; Searcey, Mark; Bertrand, Benoît; Bochmann, Manfred","(C^Npz^C)AuIII complexes of acyclic carbene ligands: synthesis and anticancer properties","Dalton Trans.","2017","","","","","10.1039/C7DT02804K","","x-ray","0.71075","MoKα","","0.0596","0.0406","","","0.0723","0.078","","","","","","1.062","","","","has coordinates","200587","2020-10-21","18:00:00",""
"7044180","18.8919","0.0003","10.1545","0.0001","20.9719","0.0004","90","","113.013","0.002","90","","3703.02","0.11","100","2","100","2","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","Complex6","","- C37 H44 Au F6 N4 O2 Sb -","- C37 H44 Au F6 N4 O2 Sb -","- C148 H176 Au4 F24 N16 O8 Sb4 -","4","1","","Williams, Morwen; Green, Adam I.; Fernandez-Cestau, Julio; Hughes, David L.; O'Connell, Maria Anne; Searcey, Mark; Bertrand, Benoît; Bochmann, Manfred","(C^Npz^C)AuIII complexes of acyclic carbene ligands: synthesis and anticancer properties","Dalton Trans.","2017","","","","","10.1039/C7DT02804K","","x-ray","0.71075","MoKα","","0.0301","0.0243","","","0.05","0.052","","","","","","1.023","","","","has coordinates","200587","2020-10-21","18:00:00",""
"7044181","12.8256","0.0006","13.0362","0.0008","13.2007","0.0007","108.342","0.005","94.401","0.004","106.927","0.005","1969.5","0.2","173","2","173","2","","","","","","","","4","P -1","-P 1","2","","Complex12","","- C46 H49 Au N4 -","- C46 H49 Au N4 -","- C92 H98 Au2 N8 -","2","1","","Williams, Morwen; Green, Adam I.; Fernandez-Cestau, Julio; Hughes, David L.; O'Connell, Maria Anne; Searcey, Mark; Bertrand, Benoît; Bochmann, Manfred","(C^Npz^C)AuIII complexes of acyclic carbene ligands: synthesis and anticancer properties","Dalton Trans.","2017","","","","","10.1039/C7DT02804K","","x-ray","0.71073","MoKα","","0.05","0.0332","","","0.0508","0.0539","","","","","","0.909","","","","has coordinates","200587","2020-10-21","18:00:00",""
"7044182","10.7883","0.0004","13.0714","0.0004","17.9344","0.0007","91.594","0.003","96.892","0.003","94.373","0.003","2501.75","0.16","141","2","140","1","","","","","","","","6","P -1","-P 1","2","","Complex5","","- C53.5 H64 Au F6 N4 Sb -","- C53.5 H60 Au F6 N4 Sb -","- C107 H120 Au2 F12 N8 Sb2 -","2","1","","Williams, Morwen; Green, Adam I.; Fernandez-Cestau, Julio; Hughes, David L.; O'Connell, Maria Anne; Searcey, Mark; Bertrand, Benoît; Bochmann, Manfred","(C^Npz^C)AuIII complexes of acyclic carbene ligands: synthesis and anticancer properties","Dalton Trans.","2017","","","","","10.1039/C7DT02804K","","","0.71073","Mo-Kα","","0.1353","0.0789","","","0.1282","0.1494","","","","","","0.934","","","","has coordinates,has disorder","200587","2020-10-21","18:00:00",""
"7044183","7.6774","0.0002","13.163","0.0004","14.82","0.0003","86.993","0.002","77.343","0.002","73.665","0.002","1402.23","0.07","140","1","140","1","","","","","","","","5","P -1","-P 1","2","","Complex3","","- C33 H36 Au N3 O -","- C33 H36 Au N3 O -","- C66 H72 Au2 N6 O2 -","2","1","","Williams, Morwen; Green, Adam I.; Fernandez-Cestau, Julio; Hughes, David L.; O'Connell, Maria Anne; Searcey, Mark; Bertrand, Benoît; Bochmann, Manfred","(C^Npz^C)AuIII complexes of acyclic carbene ligands: synthesis and anticancer properties","Dalton Trans.","2017","","","","","10.1039/C7DT02804K","","","0.71073","Mo-Kα","","0.0218","0.0178","","","0.0375","0.0384","","","","","","1.04","","","","has coordinates","200587","2020-10-21","18:00:00",""
"7044184","10.5957","0.0018","27.983","0.004","12.851","0.002","90","","112.958","0.004","90","","3508.5","1","120","2","120","2","","","","","","","","8","P 1 21/c 1","-P 2ybc","14","","","","- C23 H22 Cl2 F6 Fe N4 O6 S6 -","- C23 H22 Cl2 F6 Fe N4 O6 S6 -","- C92 H88 Cl8 F24 Fe4 N16 O24 S24 -","4","1","","Halder, Partha; Ghorai, Santanu; Banerjee, Sridhar; Mondal, Biswajit; Rana, Atanu","Iron(II) Complexes of 2-Mercaptopyridine as Rubredoxin Site Analogues","Dalton Trans.","2017","","","","","10.1039/C7DT02645E","","","0.71073","MoKα","","0.0523","0.0351","","","0.0678","0.0791","","","","","","1.078","","","","has coordinates","200589","2020-10-21","18:00:00",""
"7044185","27.8033","0.001","27.8033","0.001","21.6926","0.0015","90","","90","","120","","14522.3","1.2","120","2","120","2","","","","","","","","5","R -3 :H","-R 3","148","","","","- C20 H16 Fe2 N4 S4 -","- C20 H16 Fe2 N4 S4 -","- C360 H288 Fe36 N72 S72 -","18","1","","Halder, Partha; Ghorai, Santanu; Banerjee, Sridhar; Mondal, Biswajit; Rana, Atanu","Iron(II) Complexes of 2-Mercaptopyridine as Rubredoxin Site Analogues","Dalton Trans.","2017","","","","","10.1039/C7DT02645E","","","0.71073","MoKα","","0.0426","0.0318","","","0.0771","0.0794","","","","","","1.088","","","","has coordinates","200589","2020-10-21","18:00:00",""
"7044186","15.948","0.005","20.583","0.007","18.824","0.006","90","","109.376","0.01","90","","5829","3","120","2","120","2","","","","","","","","7","C 1 2/c 1","-C 2yc","15","","","","- C20 H20 Cl2 Fe N4 O8 S4 -","- C20 H20 Cl2 Fe N4 O8 S4 -","- C160 H160 Cl16 Fe8 N32 O64 S32 -","8","1","","Halder, Partha; Ghorai, Santanu; Banerjee, Sridhar; Mondal, Biswajit; Rana, Atanu","Iron(II) Complexes of 2-Mercaptopyridine as Rubredoxin Site Analogues","Dalton Trans.","2017","","","","","10.1039/C7DT02645E","","","0.71073","MoKα","","0.053","0.0365","","","0.1018","0.129","","","","","","0.743","","","","has coordinates","200589","2020-10-21","18:00:00",""
"7044187","6.8006","0.0008","14.3414","0.0018","16.207","0.002","90","","90.561","0.008","90","","1580.6","0.3","296","2","296","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- Na6 O S8 Si3 -","- Na6 O S8 Si3 -","- Na24 O4 S32 Si12 -","4","1","","Wu, Kui; Yang, Zhihua; Pan, ShiLie","Na6Si3S8O: first example of sulfide silicate exhibiting unusual tri-polymerized [Si3S8O]6‒ units without the S−O bonds","Dalton Trans.","2017","","","","","10.1039/C7DT03125D","","","0.71073","MoKα","","0.0611","0.0368","","","0.0752","0.0835","","","","","","1.024","","","","has coordinates","200591","2020-10-21","18:00:00",""
"7044188","14.6757","0.0004","16.6222","0.0005","16.4866","0.0005","90","","109.224","0.001","90","","3797.52","0.19","180","2","180","2","","","","","","","","8","P 1 21/n 1","-P 2yn","14","","","","- C28 H59 N3 Na2 O4 P2 S Se -","- C28 H59 N3 Na2 O4 P2 S Se -","- C112 H236 N12 Na8 O16 P8 S4 Se4 -","4","1","","Plajer, Alexander; Bold, Kevin; Rizzuto, Felix J.; García-Rodríguez, Raúl; Ronson, Tanya; Wright, Dominic S.","Isomerisation, Reactivity and Coordination Chemistry of a New Hybrid, Multi-functional Phosphazane","Dalton Trans.","2017","","","","","10.1039/C7DT03074F","","","1.54178","CuKα","","0.0781","0.0625","","","0.1606","0.1807","","","","","","1.057","","","","has coordinates,has disorder","200593","2020-10-21","18:00:00",""
"7044189","20.1254","0.0014","9.813","0.0006","20.1672","0.0014","90","","115.388","0.004","90","","3598.2","0.4","180","2","180","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C12 H29 N3 P2 S -","- C12 H29 N3 P2 S -","- C96 H232 N24 P16 S8 -","8","2","","Plajer, Alexander; Bold, Kevin; Rizzuto, Felix J.; García-Rodríguez, Raúl; Ronson, Tanya; Wright, Dominic S.","Isomerisation, Reactivity and Coordination Chemistry of a New Hybrid, Multi-functional Phosphazane","Dalton Trans.","2017","","","","","10.1039/C7DT03074F","","","1.54178","CuKα","","0.0999","0.0761","","","0.1486","0.1644","","","","","","1.112","","","","has coordinates,has disorder","200593","2020-10-21","18:00:00",""
"7044190","9.958","0.002","11.381","0.002","15.909","0.003","90","","90","","90","","1803","0.6","180","2","180","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C12 H29 N3 P2 S -","- C12 H29 N3 P2 S -","- C48 H116 N12 P8 S4 -","4","1","","Plajer, Alexander; Bold, Kevin; Rizzuto, Felix J.; García-Rodríguez, Raúl; Ronson, Tanya; Wright, Dominic S.","Isomerisation, Reactivity and Coordination Chemistry of a New Hybrid, Multi-functional Phosphazane","Dalton Trans.","2017","","","","","10.1039/C7DT03074F","","","1.54178","CuKα","","0.0418","0.0328","","","0.0723","0.0771","","","","","","1.016","","","","has coordinates","200593","2020-10-21","18:00:00",""
"7044191","16.9527","0.0004","14.5736","0.0004","16.9848","0.0004","90","","114.463","0.001","90","","3819.59","0.17","180","2","180","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C12 H29 N3 P2 S Se -","- C12 H29 N3 P2 S Se -","- C96 H232 N24 P16 S8 Se8 -","8","2","","Plajer, Alexander; Bold, Kevin; Rizzuto, Felix J.; García-Rodríguez, Raúl; Ronson, Tanya; Wright, Dominic S.","Isomerisation, Reactivity and Coordination Chemistry of a New Hybrid, Multi-functional Phosphazane","Dalton Trans.","2017","","","","","10.1039/C7DT03074F","","","1.54178","CuKα","","0.0584","0.0439","","","0.0953","0.1026","","","","","","1.056","","","","has coordinates","200593","2020-10-21","18:00:00",""
"7044192","9.616","0.0006","15.1762","0.0008","18.9657","0.0011","80.409","0.004","89.607","0.004","89.916","0.004","2729","0.3","100","2","100","2","","","","","","","","5","P -1","-P 1","2","Fe(PDI)(neopentoxide)","2,6-dimethylphenyl bis(imino)pyridine iron (mono)alkoxide","","- C30 H38 Fe N3 O -","- C30 H38 Fe N3 O -","- C120 H152 Fe4 N12 O4 -","4","2","","Delle Chiaie, Kayla R.; Biernesser, Ashley B.; Ortuño, Manuel Angel; Dereli, Büsra; Iovan, Diana Alexandra; Wilding, Matthew J. T.; Li, Bo; Cramer, Christopher J.; Byers, Jeffery Allen","The Role of Ligand Redox Non-Innocence in Ring-Opening Polymerization Reactions Catalysed by Bis(imino)pyridine Iron Alkoxide Complexes","Dalton Trans.","2017","","","","","10.1039/C7DT03067C","","","1.54178","CuKα","","0.1365","0.1087","","","0.2768","0.3238","","","","","","1.23","","","","has coordinates","200810","2020-10-21","18:00:00",""
"7044193","18.8901","0.0008","8.591","0.0004","22.5655","0.001","90","","90","0.0012","90","","3662","0.3","296","2","296","2","","","","","","","","7","P c a 21","P 2c -2ac","29","","","","- C31 H27 F6 N9 O11 Ru S2 -","- C31 H27 F6 N9 O11 Ru S2 -","- C124 H108 F24 N36 O44 Ru4 S8 -","4","1","","Mane, Vishwanath shesherao; Kumbhar, Avinash; Thummel, Randolph P.","A ruthenium water oxidation catalyst containing a bipyridine glycoluril ligand","Dalton Trans.","2017","","","","","10.1039/C7DT02485A","","","1.54178","CuKα","","0.0347","0.0333","","","0.0848","0.086","","","","","","1.017","","","","has coordinates,has disorder","200811","2020-10-21","18:00:00",""
"7044194","14.1145","0.0002","16.1624","0.0002","28.696","0.0003","90","","90","","90","","6546.25","0.14","250","2","250","2","","","","","","","","6","P b c a","-P 2ac 2ab","61","","","","- C29 H31 Cl2 N9 O7 Ru -","- C29 H21 Cl2 N9 O7 Ru -","- C232 H168 Cl16 N72 O56 Ru8 -","8","1","","Mane, Vishwanath shesherao; Kumbhar, Avinash; Thummel, Randolph P.","A ruthenium water oxidation catalyst containing a bipyridine glycoluril ligand","Dalton Trans.","2017","","","","","10.1039/C7DT02485A","","","1.54178","CuKα","","0.2675","0.1104","","","0.2809","0.3908","","","","","","1.207","","","","has coordinates,has disorder","200811","2020-10-21","18:00:00",""
"7044195","7.9081","0.0002","13.4568","0.0004","14.0019","0.0004","90","","104.28","0.001","90","","1444.01","0.07","100","","100","","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C13 H13 Cl Cu N2 O4 S -","- C13 H13 Cl Cu N2 O4 S -","- C52 H52 Cl4 Cu4 N8 O16 S4 -","4","1","","Hardouin Duparc, Valérie; Schaper, Frank","Sulfonato-imino copper(II) complexes : fast and general Chan-Evans-Lam coupling of amines and anilines","Dalton Trans.","2017","","","","","10.1039/C7DT02260C","","x-ray","1.34139","GaKα","","0.0257","0.0254","","","0.0702","0.0704","","","","","","1.043","","","","has coordinates","200812","2020-10-21","18:00:00",""
"7044196","14.6171","0.0002","10.0602","0.0002","23.556","0.0004","90","","90","","90","","3463.93","0.1","100","","100","","","","","","","","","7","P b c a","-P 2ac 2ab","61","","","","- C14 H11 Cu F3 N2 O6 S2 -","- C14 H11 Cu F3 N2 O6 S2 -","- C112 H88 Cu8 F24 N16 O48 S16 -","8","1","","Hardouin Duparc, Valérie; Schaper, Frank","Sulfonato-imino copper(II) complexes : fast and general Chan-Evans-Lam coupling of amines and anilines","Dalton Trans.","2017","","","","","10.1039/C7DT02260C","","x-ray","1.54178","CuKα","","0.0238","0.0233","","","0.0675","0.0679","","","","","","1.055","","","","has coordinates","200812","2020-10-21","18:00:00",""
"7044197","20.4799","0.0012","6.6471","0.0004","6.5803","0.0004","90","","90","","90","","895.79","0.09","150","2","150","2","","","","","","","","4","P n a 21","P 2c -2n","33","","","","- C2 H9 B7 Sb2 -","- C2 H9 B7 Sb2 -","- C8 H36 B28 Sb8 -","4","1","","Holub, Josef; Melichar, Petr; Ruzickova, Zdenka; Vrana, Jan; Wann, Derek; Fanfrlik, Jindrich; Hnyk, Drahomír; Růžička, Aleš","A novel stibacarbaborane cluster with adjacent antimony atoms exhibiting unique pnictogen bond formation that dominates its crystal packing","Dalton Trans.","2017","","","","","10.1039/C7DT02845H","","","0.71073","MoKα","","0.0422","0.0271","","","0.0398","0.0419","","","","","","1.049","","","","has coordinates","200813","2020-10-21","18:00:00",""
"7044198","12.5728","0.0008","14.0025","0.0008","14.2851","0.0008","74.364","0.002","84.584","0.002","88.954","0.002","2411","0.2","102","2","101.82","","","","","","","","","6","P -1","-P 1","2","[{(3,5-(CF3)2Pz)ZnEt}2(μ-THF)]","","","- C18 H20 F12 N4 O Zn2 -","- C18 H20 F12 N4 O Zn2 -","- C72 H80 F48 N16 O4 Zn8 -","4","2","","Ponduru, Tharun Teja; Dias, H. V. Rasika","Dinuclear zinc(II) pyrazolates with different degrees of ring-fluorination and their use in zinc(II) mediated olefin aziridination","Dalton Trans.","2017","","","","","10.1039/C7DT02951A","","","0.71073","MoKα","","0.0494","0.0443","","","0.1115","0.1141","","","","","","1.166","","","","has coordinates,has disorder","200815","2020-10-21","18:00:00",""
"7044199","10.1083","0.0003","18.2839","0.0006","15.3399","0.0005","90","","92.314","0.001","90","","2832.8","0.16","100","2","100","","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","[{(3-(CF3),5-(t-Bu)Pz)ZnEt}2(μ-THF)]","","","- C24 H38 F6 N4 O Zn2 -","- C24 H38 F6 N4 O Zn2 -","- C96 H152 F24 N16 O4 Zn8 -","4","1","","Ponduru, Tharun Teja; Dias, H. V. Rasika","Dinuclear zinc(II) pyrazolates with different degrees of ring-fluorination and their use in zinc(II) mediated olefin aziridination","Dalton Trans.","2017","","","","","10.1039/C7DT02951A","","","0.71073","MoKα","","0.0242","0.0225","","","0.0545","0.0555","","","","","","1.059","","","","has coordinates","200815","2020-10-21","18:00:00",""
"7044200","19.0839","0.0007","8.044","0.0003","19.8329","0.0007","90","","108.207","0.001","90","","2892.14","0.18","100","2","100","","","","","","","","","5","C 1 2/c 1","-C 2yc","15","[{(3,5-(i-Pr)2Pz)ZnEt}2(μ-THF)]","","","- C26 H48 N4 O Zn2 -","- C26 H48 N4 O Zn2 -","- C104 H192 N16 O4 Zn8 -","4","0.5","","Ponduru, Tharun Teja; Dias, H. V. Rasika","Dinuclear zinc(II) pyrazolates with different degrees of ring-fluorination and their use in zinc(II) mediated olefin aziridination","Dalton Trans.","2017","","","","","10.1039/C7DT02951A","","","0.71073","MoKα","","0.0296","0.0259","","","0.0671","0.0694","","","","","","1.038","","","","has coordinates","200815","2020-10-21","18:00:00",""
"7044201","10.3358","0.0002","23.0105","0.0007","21.1555","0.0006","90","","90.64","0.002","90","","5031.1","0.2","123","0.1","123","0.1","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C51 H70 Dy N4 O6 -","- C51 H70 Dy N4 O6 -","- C204 H280 Dy4 N16 O24 -","4","1","","Morgan, Ian; Mansikkamäki, Akseli; Rouzieres, Mathieu; Clerac, Rodolphe; Tuononen, Heikki M.","Coexistence of long-range antiferromagnetic order and slow relaxation of the magnetization in the first lanthanide complex of a 1,2,4-benzotriazinyl radical","Dalton Trans.","2017","","","","","10.1039/C7DT02766D","","","1.54184","CuKα","","0.0685","0.0445","","","0.0875","0.0965","","","","","","1.01","","","","has coordinates,has disorder","200870","2020-10-21","18:00:00",""
"7044202","24.863","0.002","10.69","0.001","29.057","0.002","90","","98.96","","90","","7628.7","1.1","100","2","100","2","","","","","","","","7","C 1 2/c 1","-C 2yc","15","","","","- C38.5 H30 F6 N3 O5.75 P2 Tc -","- C38.5 H30 F6 N3 O5.75 P2 Tc -","- C308 H240 F48 N24 O46 P16 Tc8 -","8","1","","Balasekaran, Samundeeswari Mariappan; Hagenbach, Adelheid; Drees, Markus; Abram, Ulrich","[TcII(NO)(trifluoroacetate)4F]2- - Synthesis and Reactions","Dalton Trans.","2017","","","","","10.1039/C7DT03084C","","","0.71073","MoKα","","0.0727","0.0503","","","0.1039","0.1125","","","","","","1.057","","","","has coordinates,has disorder","200871","2020-10-21","18:00:00",""
"7044203","14.716","0.001","9.605","0.001","28.907","0.002","90","","113.87","0.01","90","","3736.4","0.6","200","2","200","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C24 H36 Cs F13 N2 O9 Tc -","- C24 H36 Cs F13 N2 O9 Tc -","- C96 H144 Cs4 F52 N8 O36 Tc4 -","4","1","","Balasekaran, Samundeeswari Mariappan; Hagenbach, Adelheid; Drees, Markus; Abram, Ulrich","[TcII(NO)(trifluoroacetate)4F]2- - Synthesis and Reactions","Dalton Trans.","2017","","","","","10.1039/C7DT03084C","","","0.71073","MoKα","","0.1336","0.0516","","","0.081","0.0967","","","","","","0.847","","","","has coordinates,has disorder","200871","2020-10-21","18:00:00",""
"7044204","13.9847","0.0016","9.777","0.0012","17.2446","0.0016","90","","127.437","0.006","90","","1872.2","0.4","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C14 H14 Dy N3 O12 -","- C14 H14 Dy N3 O12 -","- C56 H56 Dy4 N12 O48 -","4","1","","gao, wei; liu, feng; zhang, bao ying; Zhang, Xiumei; liu, jie ping; Gao, En-Qing; Gao, Qingyu","2D carboxylate-bridged LnIII coordination polymers: displaying the slow magnetic relaxation and luminescent properties in detection of Fe3+, Cr2O72- and nitrobenzene","Dalton Trans.","2017","","","","","10.1039/C7DT03088F","","","0.71073","MoKα","","0.0256","0.0206","","","0.0479","0.0499","","","","","","1.065","","","","has coordinates","200872","2020-10-21","18:00:00",""
"7044205","13.946","0.0016","9.8277","0.0012","17.3048","0.0016","90","","127.674","0.006","90","","1877.2","0.4","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C14 H14 N3 O12 Tb -","- C14 H14 N3 O12 Tb -","- C56 H56 N12 O48 Tb4 -","4","1","","gao, wei; liu, feng; zhang, bao ying; Zhang, Xiumei; liu, jie ping; Gao, En-Qing; Gao, Qingyu","2D carboxylate-bridged LnIII coordination polymers: displaying the slow magnetic relaxation and luminescent properties in detection of Fe3+, Cr2O72- and nitrobenzene","Dalton Trans.","2017","","","","","10.1039/C7DT03088F","","","0.71073","MoKα","","0.0556","0.0317","","","0.0498","0.0546","","","","","","1.024","","","","has coordinates","200872","2020-10-21","18:00:00",""
"7044206","13.9924","0.0016","9.75","0.0012","17.2189","0.0016","90","","127.46","0.006","90","","1864.7","0.4","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C14 H14 Ho N3 O12 -","- C14 H14 Ho N3 O12 -","- C56 H56 Ho4 N12 O48 -","4","1","","gao, wei; liu, feng; zhang, bao ying; Zhang, Xiumei; liu, jie ping; Gao, En-Qing; Gao, Qingyu","2D carboxylate-bridged LnIII coordination polymers: displaying the slow magnetic relaxation and luminescent properties in detection of Fe3+, Cr2O72- and nitrobenzene","Dalton Trans.","2017","","","","","10.1039/C7DT03088F","","","0.71073","MoKα","","0.0308","0.0211","","","0.0424","0.0452","","","","","","1.04","","","","has coordinates","200872","2020-10-21","18:00:00",""
"7044207","13.9799","0.0016","9.7065","0.0012","17.1738","0.0016","90","","127.252","0.006","90","","1855","0.4","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C14 H14 Eu N3 O12 -","- C14 H14 Eu N3 O12 -","- C56 H56 Eu4 N12 O48 -","4","1","","gao, wei; liu, feng; zhang, bao ying; Zhang, Xiumei; liu, jie ping; Gao, En-Qing; Gao, Qingyu","2D carboxylate-bridged LnIII coordination polymers: displaying the slow magnetic relaxation and luminescent properties in detection of Fe3+, Cr2O72- and nitrobenzene","Dalton Trans.","2017","","","","","10.1039/C7DT03088F","","","0.71073","MoKα","","0.0288","0.0228","","","0.0565","0.0591","","","","","","1.095","","","","has coordinates","200872","2020-10-21","18:00:00",""
"7044208","13.9556","0.0016","9.8837","0.0012","17.3889","0.0016","90","","127.918","0.006","90","","1892.2","0.4","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C14 H14 N3 O12 Sm -","- C14 H14 N3 O12 Sm -","- C56 H56 N12 O48 Sm4 -","4","1","","gao, wei; liu, feng; zhang, bao ying; Zhang, Xiumei; liu, jie ping; Gao, En-Qing; Gao, Qingyu","2D carboxylate-bridged LnIII coordination polymers: displaying the slow magnetic relaxation and luminescent properties in detection of Fe3+, Cr2O72- and nitrobenzene","Dalton Trans.","2017","","","","","10.1039/C7DT03088F","","","0.71073","MoKα","","0.0259","0.02","","","0.0451","0.0481","","","","","","1.092","","","","has coordinates","200872","2020-10-21","18:00:00",""
"7044209","13.9481","0.0016","9.9518","0.0012","17.476","0.0016","90","","128.175","0.006","90","","1907","0.4","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C14 H14 N3 Nd O12 -","- C14 H14 N3 Nd O12 -","- C56 H56 N12 Nd4 O48 -","4","1","","gao, wei; liu, feng; zhang, bao ying; Zhang, Xiumei; liu, jie ping; Gao, En-Qing; Gao, Qingyu","2D carboxylate-bridged LnIII coordination polymers: displaying the slow magnetic relaxation and luminescent properties in detection of Fe3+, Cr2O72- and nitrobenzene","Dalton Trans.","2017","","","","","10.1039/C7DT03088F","","","0.71073","MoKα","","0.0321","0.0211","","","0.0426","0.0454","","","","","","1.031","","","","has coordinates","200872","2020-10-21","18:00:00",""
"7044210","13.9967","0.0016","9.6613","0.0012","17.1032","0.0016","90","","127.111","0.007","90","","1844.4","0.4","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C14 H14 N3 O12 Yb -","- C14 H14 N3 O12 Yb -","- C56 H56 N12 O48 Yb4 -","4","1","","gao, wei; liu, feng; zhang, bao ying; Zhang, Xiumei; liu, jie ping; Gao, En-Qing; Gao, Qingyu","2D carboxylate-bridged LnIII coordination polymers: displaying the slow magnetic relaxation and luminescent properties in detection of Fe3+, Cr2O72- and nitrobenzene","Dalton Trans.","2017","","","","","10.1039/C7DT03088F","","","0.71073","MoKα","","0.0183","0.0161","","","0.0398","0.0411","","","","","","1.142","","","","has coordinates","200872","2020-10-21","18:00:00",""
"7044211","13.9586","0.0016","9.8262","0.0012","17.3189","0.0016","90","","127.699","0.006","90","","1879.5","0.4","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C14 H14 Gd N3 O12 -","- C14 H14 Gd N3 O12 -","- C56 H56 Gd4 N12 O48 -","4","1","","gao, wei; liu, feng; zhang, bao ying; Zhang, Xiumei; liu, jie ping; Gao, En-Qing; Gao, Qingyu","2D carboxylate-bridged LnIII coordination polymers: displaying the slow magnetic relaxation and luminescent properties in detection of Fe3+, Cr2O72- and nitrobenzene","Dalton Trans.","2017","","","","","10.1039/C7DT03088F","","","0.71073","MoKα","","0.0221","0.0185","","","0.0443","0.0464","","","","","","1.1","","","","has coordinates","200872","2020-10-21","18:00:00",""
"7044212","7.9112","0.0016","22.934","0.005","17.831","0.004","90","","97.773","0.003","90","","3205.4","1.2","200","2","200","2","","","","","","","","5","P 1 21 1","P 2yb","4","","cpd 1","","- C112 H148 N20 O36 Zn4 -","- C112 H143.251 N20 O36.02 Zn4 -","- C112 H143.251 N20 O36.02 Zn4 -","1","0.5","","Tseng, Tien-Wen; Lee, Li-Wei; Luo, Tzuoo-Tsair; Chien, Po-Hsiu; Wang, Chih-Min; Liu, Yen-Hsiang; Lee, Sheng-Long; Kuang-Lieh, Lu","Gate-Opening upon CO2 Adsorption on a Metal-Organic Framework That Mimics a Natural Stimuli-Response System","Dalton Trans.","2017","","","","","10.1039/C7DT03119J","","","0.71073","MoKα","","0.1052","0.0643","","","0.1586","0.19","","","","","","1.052","","","","has coordinates","200873","2020-10-21","18:00:00",""
"7044213","13.934","0.003","15.037","0.003","14.836","0.003","90","","107.72","0.03","90","","2961","1.2","100","2","100","2","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C44 H44 B4 Cl6 Dy2 N24 O4 -","- C44 H44 B4 Cl6 Dy2 N24 O4 -","- C88 H88 B8 Cl12 Dy4 N48 O8 -","2","0.5","","Dunstan, Maja; Rousset, Elodie; Boulon, Marie-Emmanuelle; Gable, Robert William; Sorace, Lorenzo; Boskovic, Colette","Slow magnetisation relaxation in tetraoxolene-bridged rare-earth complexes","Dalton Trans.","2017","","","","","10.1039/C7DT02932B","","","0.7108","Synchrotron","","0.0473","0.0335","","","0.0795","0.0846","","","","","","1.054","","","","has coordinates","200874","2020-10-21","18:00:00",""
"7044214","10.3026","0.0008","11.8817","0.0007","13.8646","0.0011","71.183","0.006","81.824","0.006","87.703","0.006","1590.1","0.2","130.01","0.1","130.01","0.1","","","","","","","","6","P -1","-P 1","2","","","","- C40.5 H76 B4 N12 O18.5 Y2 -","- C40.5 H76 B4 N12 O18.5 Y2 -","- C40.5 H76 B4 N12 O18.5 Y2 -","1","0.5","","Dunstan, Maja; Rousset, Elodie; Boulon, Marie-Emmanuelle; Gable, Robert William; Sorace, Lorenzo; Boskovic, Colette","Slow magnetisation relaxation in tetraoxolene-bridged rare-earth complexes","Dalton Trans.","2017","","","","","10.1039/C7DT02932B","","x-ray","1.54184","CuKα","","0.0639","0.0562","","","0.1509","0.1622","","","","","","1.046","","","","has coordinates,has disorder","200874","2020-10-21","18:00:00",""
"7044215","13.94","0.003","15.052","0.003","14.28","0.003","90","","107.57","0.03","90","","2856.5","1.1","100","2","100","2","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C44 H44 B4 Cl6 N24 O4 Y2 -","- C44 H44 B4 Cl6 N24 O4 Y2 -","- C88 H88 B8 Cl12 N48 O8 Y4 -","2","0.5","","Dunstan, Maja; Rousset, Elodie; Boulon, Marie-Emmanuelle; Gable, Robert William; Sorace, Lorenzo; Boskovic, Colette","Slow magnetisation relaxation in tetraoxolene-bridged rare-earth complexes","Dalton Trans.","2017","","","","","10.1039/C7DT02932B","","","0.7108","Synchrotron","","0.0589","0.0454","","","0.1156","0.1241","","","","","","1.049","","","","has coordinates","200874","2020-10-21","18:00:00",""
"7044216","11.59","0.002","18.38","0.004","12.15","0.002","90","","104.12","0.03","90","","2510","0.9","100","2","100","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C42 H42 B4 N24 O4 Y2 -","- C42 H42 B4 N24 O4 Y2 -","- C84 H84 B8 N48 O8 Y4 -","2","0.5","","Dunstan, Maja; Rousset, Elodie; Boulon, Marie-Emmanuelle; Gable, Robert William; Sorace, Lorenzo; Boskovic, Colette","Slow magnetisation relaxation in tetraoxolene-bridged rare-earth complexes","Dalton Trans.","2017","","","","","10.1039/C7DT02932B","","","0.7108","Synchrotron","","0.1144","0.0595","","","0.1272","0.1499","","","","","","1.061","","","","has coordinates","200874","2020-10-21","18:00:00",""
"7044217","14.2804","0.0004","15.0832","0.0003","14.6373","0.0004","90","","108.072","0.003","90","","2997.25","0.14","130.01","0.1","130.01","0.1","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C48 H52 B4 Cl2 N24 O6 Y2 -","- C48 H52 B4 Cl2 N24 O6 Y2 -","- C96 H104 B8 Cl4 N48 O12 Y4 -","2","0.5","","Dunstan, Maja; Rousset, Elodie; Boulon, Marie-Emmanuelle; Gable, Robert William; Sorace, Lorenzo; Boskovic, Colette","Slow magnetisation relaxation in tetraoxolene-bridged rare-earth complexes","Dalton Trans.","2017","","","","","10.1039/C7DT02932B","","x-ray","1.54184","CuKα","","0.0433","0.0338","","","0.0825","0.0884","","","","","","1.036","","","","has coordinates","200874","2020-10-21","18:00:00",""
"7044218","13.1868","0.0003","21.4815","0.0004","19.6434","0.0004","90","","101.213","0.0018","90","","5458.2","0.2","130.01","0.1","130.01","0.1","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C73.35 H130.69 B6 Cl2 N24 O30 Y4 -","- C73.344 H130.688 B6 Cl1.998 N24 O30 Y4 -","- C146.688 H261.376 B12 Cl3.996 N48 O60 Y8 -","2","0.5","","Dunstan, Maja; Rousset, Elodie; Boulon, Marie-Emmanuelle; Gable, Robert William; Sorace, Lorenzo; Boskovic, Colette","Slow magnetisation relaxation in tetraoxolene-bridged rare-earth complexes","Dalton Trans.","2017","","","","","10.1039/C7DT02932B","","x-ray","1.54184","CuKα","","0.0624","0.0558","","","0.1444","0.1502","","","","","","1.059","","","","has coordinates,has disorder","200874","2020-10-21","18:00:00",""
"7044219","49.226","0.007","49.226","0.007","13.22","0.003","90","","90","","120","","27743","8","100","2","100","2","","","","","","","","6","R -3","-R 3","148","","","","- C44 H46 B4 N24 O4 Y2 -","- C44 H46 B4 N24 O4 Y2 -","- C792 H828 B72 N432 O72 Y36 -","18","","","Dunstan, Maja; Rousset, Elodie; Boulon, Marie-Emmanuelle; Gable, Robert William; Sorace, Lorenzo; Boskovic, Colette","Slow magnetisation relaxation in tetraoxolene-bridged rare-earth complexes","Dalton Trans.","2017","","","","","10.1039/C7DT02932B","","","0.7108","Synchrotron","","0.1118","0.0576","","","0.1335","0.1547","","","","","","1.035","","","","has coordinates","200874","2020-10-21","18:00:00",""
"7044220","16.961","0.011","13.755","0.006","6.589","0.003","90","","90","","90","","1537.2","1.4","100","2","100","2","","","","","","","","5","P n m a","-P 2ac 2n","62","[Mo(allyl)(N3)(bpy)(CO)2]","","","- C15 H13 Mo N5 O2 -","- C15 H13 Mo N5 O2 -","- C60 H52 Mo4 N20 O8 -","4","0.5","","Schmid, Paul; Maier, Matthias; Pfeiffer, Hendrik; Belz, Anja; Henry, Lucas; Friedrich, Alexandra; Schönfeld, Fabian; Edkins, Katharina; Schatzschneider, Ulrich","Catalyst-free room-temperature iClick reaction of molybdenum(II) and tungsten(II) azide complexes with electron-poor alkynes: Structural preferences and kinetic studies","Dalton Trans.","2017","","","","","10.1039/C7DT03096G","","","0.71073","MoKα","","0.0332","0.0237","","","0.0555","0.0596","","","","","","1.035","","","","has coordinates","200875","2020-10-21","18:00:00",""
"7044221","11.815","0.008","9.369","0.006","20.131","0.014","90","","103.28","0.011","90","","2169","3","173","2","173","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","[Mo(allyl)(triazolateCOOCH3,COOCH3)(bpy)(CO)2]","","","- C21 H19 Mo N5 O6 -","- C21 H19 Mo N5 O6 -","- C84 H76 Mo4 N20 O24 -","4","1","","Schmid, Paul; Maier, Matthias; Pfeiffer, Hendrik; Belz, Anja; Henry, Lucas; Friedrich, Alexandra; Schönfeld, Fabian; Edkins, Katharina; Schatzschneider, Ulrich","Catalyst-free room-temperature iClick reaction of molybdenum(II) and tungsten(II) azide complexes with electron-poor alkynes: Structural preferences and kinetic studies","Dalton Trans.","2017","","","","","10.1039/C7DT03096G","","","0.71073","MoKα","","0.0292","0.026","","","0.0656","0.0676","","","","","","1.06","","","","has coordinates","200875","2020-10-21","18:00:00",""
"7044222","10.545","0.002","10.8506","0.0019","11.32","0.002","82.745","0.007","63.061","0.008","75.89","0.02","1119.7","0.4","273","2","273","2","","","","","","","","6","P -1","-P 1","2","[Mo(allyl)(triazolateCF3,COOEt)(bpy)(CO)2]","","","- C21 H18 F3 Mo N5 O4 -","- C21 H18 F3 Mo N5 O4 -","- C42 H36 F6 Mo2 N10 O8 -","2","1","","Schmid, Paul; Maier, Matthias; Pfeiffer, Hendrik; Belz, Anja; Henry, Lucas; Friedrich, Alexandra; Schönfeld, Fabian; Edkins, Katharina; Schatzschneider, Ulrich","Catalyst-free room-temperature iClick reaction of molybdenum(II) and tungsten(II) azide complexes with electron-poor alkynes: Structural preferences and kinetic studies","Dalton Trans.","2017","","","","","10.1039/C7DT03096G","","","0.71073","MoKα","","0.0476","0.033","","","0.0634","0.0679","","","","","","1.034","","","","has coordinates","200875","2020-10-21","18:00:00",""
"7044223","16.83","0.03","13.769","0.017","6.602","0.008","90","","90","","90","","1530","4","100","2","100","2","","","","","","","","5","P n m a","-P 2ac 2n","62","[W(allyl)(N3)(bpy)(CO)2]","","","- C15 H13 N5 O2 W -","- C15 H13 N5 O2 W -","- C60 H52 N20 O8 W4 -","4","0.5","","Schmid, Paul; Maier, Matthias; Pfeiffer, Hendrik; Belz, Anja; Henry, Lucas; Friedrich, Alexandra; Schönfeld, Fabian; Edkins, Katharina; Schatzschneider, Ulrich","Catalyst-free room-temperature iClick reaction of molybdenum(II) and tungsten(II) azide complexes with electron-poor alkynes: Structural preferences and kinetic studies","Dalton Trans.","2017","","","","","10.1039/C7DT03096G","","","0.71073","MoKα","","0.0352","0.022","","","0.0452","0.0501","","","","","","1.02","","","","has coordinates","200875","2020-10-21","18:00:00",""
"7044224","11.078","0.005","9.984","0.005","19.167","0.011","90","","91.1","0.02","90","","2119.5","1.9","100","2","100","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","[W(allyl)(triazolateCF3,COOEt)(bpy)(CO)2]","","","- C21 H18 F3 N5 O4 W -","- C21 H18 F3 N5 O4 W -","- C84 H72 F12 N20 O16 W4 -","4","1","","Schmid, Paul; Maier, Matthias; Pfeiffer, Hendrik; Belz, Anja; Henry, Lucas; Friedrich, Alexandra; Schönfeld, Fabian; Edkins, Katharina; Schatzschneider, Ulrich","Catalyst-free room-temperature iClick reaction of molybdenum(II) and tungsten(II) azide complexes with electron-poor alkynes: Structural preferences and kinetic studies","Dalton Trans.","2017","","","","","10.1039/C7DT03096G","","","0.71073","MoKα","","0.0172","0.0155","","","0.0345","0.0351","","","","","","1.049","","","","has coordinates","200875","2020-10-21","18:00:00",""
"7044225","11.697","0.006","9.262","0.006","19.887","0.011","90","","103.39","0.02","90","","2096","2","100","2","100","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","[W(allyl)(triazolateCOOCH3,COOCH3)(bpy)(CO)2]","","","- C21 H19 N5 O6 W -","- C21 H19 N5 O6 W -","- C84 H76 N20 O24 W4 -","4","1","","Schmid, Paul; Maier, Matthias; Pfeiffer, Hendrik; Belz, Anja; Henry, Lucas; Friedrich, Alexandra; Schönfeld, Fabian; Edkins, Katharina; Schatzschneider, Ulrich","Catalyst-free room-temperature iClick reaction of molybdenum(II) and tungsten(II) azide complexes with electron-poor alkynes: Structural preferences and kinetic studies","Dalton Trans.","2017","","","","","10.1039/C7DT03096G","","","0.71073","MoKα","","0.0299","0.0227","","","0.0487","0.0511","","","","","","1.026","","","","has coordinates","200875","2020-10-21","18:00:00",""
"7044226","8.6745","0.0014","13.701","0.002","26.368","0.004","90","","90","","90","","3133.8","0.8","296","2","296","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C23 H41 Co2 N16 O2 -","- C23 H41 Co2 N16 O2 -","- C92 H164 Co8 N64 O8 -","4","1","","Mandal, Shuvankar; Mondal, Suraj; Rajnak, Cyril; Titis, Jan; Boca, Roman; Mohanta, Sasankasekhar","Syntheses, crystal structures and magnetic properties of two mixed-valence Co(III)Co(II) compounds derived from Schiff base ligands: Field supported single-ion-magnet behaviour with easy plane anisotropy","Dalton Trans.","2017","","","","","10.1039/C7DT02455J","","","0.71073","MoKα","","0.0595","0.0484","","","0.1308","0.1387","","","","","","1.026","","","","has coordinates","200876","2020-10-21","18:00:00",""
"7044227","8.424","0.006","13.764","0.009","25.759","0.016","90","","90","","90","","2987","3","296","2","296","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C22 H39 Co2 N16 O2 -","- C22 H39 Co2 N16 O2 -","- C88 H156 Co8 N64 O8 -","4","1","","Mandal, Shuvankar; Mondal, Suraj; Rajnak, Cyril; Titis, Jan; Boca, Roman; Mohanta, Sasankasekhar","Syntheses, crystal structures and magnetic properties of two mixed-valence Co(III)Co(II) compounds derived from Schiff base ligands: Field supported single-ion-magnet behaviour with easy plane anisotropy","Dalton Trans.","2017","","","","","10.1039/C7DT02455J","","","0.71073","MoKα","","0.1673","0.0797","","","0.1745","0.2173","","","","","","1.004","","","","has coordinates","200876","2020-10-21","18:00:00",""
"7044228","10.27","0.005","13.932","0.007","19.316","0.007","95.074","0.008","99.545","0.006","111.15","0.018","2509","2","150","2","150","2","","","","","","","","7","P -1","-P 1","2","","","","- C94 H122 Br4 Cu3 N8 O24 P4 -","- C94 H122 Br4 Cu3 N8 O24 P4 -","- C94 H122 Br4 Cu3 N8 O24 P4 -","1","0.5","","Bhat, Gulzar A.; Maqbool, Raihana; Dar, Aijaz; Hussain, Mahboob Ul; Murugavel, Ramaswamy","Selective formation of discrete versus polymeric copper organophosphates: DNA cleavage and cytotoxic activity","Dalton Trans.","2017","","","","","10.1039/C7DT02763J","","","1.5419","CuKα","","0.0611","0.0484","","","0.1215","0.1439","","","","","","1.012","","","","has coordinates","200914","2020-10-21","18:00:00",""
"7044229","10.26","0.002","14.003","0.003","19.176","0.004","94.8","0.03","99.73","0.03","111.01","0.03","2503.5","1.1","100","2","100","2","","","","","","","","7","P -1","-P 1","2","","","","- C94 H122 Cl4 Cu3 N8 O24 P4 -","- C94 H122 Cl4 Cu3 N8 O24 P4 -","- C94 H122 Cl4 Cu3 N8 O24 P4 -","1","0.5","","Bhat, Gulzar A.; Maqbool, Raihana; Dar, Aijaz; Hussain, Mahboob Ul; Murugavel, Ramaswamy","Selective formation of discrete versus polymeric copper organophosphates: DNA cleavage and cytotoxic activity","Dalton Trans.","2017","","","","","10.1039/C7DT02763J","","","0.71073","MoKα","","0.0644","0.0499","","","0.1194","0.1312","","","","","","1.085","","","","has coordinates","200914","2020-10-21","18:00:00",""
"7044230","10.331","0.004","13.97","0.006","19.644","0.008","95.549","0.003","99.53","0.006","111.171","0.008","2569.2","1.8","130","2","130","2","","","","","","","","7","P -1","-P 1","2","","","","- C94 H120 Cu3 I4 N8 O24 P4 -","- C94 H120 Cu3 I4 N8 O24 P4 -","- C94 H120 Cu3 I4 N8 O24 P4 -","1","0.5","","Bhat, Gulzar A.; Maqbool, Raihana; Dar, Aijaz; Hussain, Mahboob Ul; Murugavel, Ramaswamy","Selective formation of discrete versus polymeric copper organophosphates: DNA cleavage and cytotoxic activity","Dalton Trans.","2017","","","","","10.1039/C7DT02763J","","","0.71075","MoKα","","0.0805","0.0781","","","0.2174","0.2189","","","","","","1.074","","","","has coordinates","200914","2020-10-21","18:00:00",""
"7044231","11.852","0.002","13.329","0.002","14.065","0.002","118.274","0.01","111.66","0.02","91.178","0.016","1766.1","0.6","150","2","150","2","","","","","","","","7","P -1","-P 1","2","","","","- C68 H74 Br2 Cu2 N8 O12 P2 -","- C68 H74 Br2 Cu2 N8 O12 P2 -","- C68 H74 Br2 Cu2 N8 O12 P2 -","1","0.5","","Bhat, Gulzar A.; Maqbool, Raihana; Dar, Aijaz; Hussain, Mahboob Ul; Murugavel, Ramaswamy","Selective formation of discrete versus polymeric copper organophosphates: DNA cleavage and cytotoxic activity","Dalton Trans.","2017","","","","","10.1039/C7DT02763J","","","0.71075","MoKα","","0.0434","0.0378","","","0.0996","0.1024","","","","","","1.073","","","","has coordinates","200914","2020-10-21","18:00:00",""
"7044232","7.5917","0.0011","14.645","0.003","6.4975","0.0011","90","","96.645","0.015","90","","717.5","0.2","120","0.1","120","0.1","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C6 H10 N8 O8 Zn3 -","- C6 H10 N8 O8 Zn3 -","- C12 H20 N16 O16 Zn6 -","2","0.5","","Song, Tian-Qun; Dong, Jie; Gao, Hong-Ling; Cui, Jian-zhong; Zhao, Bin","A unique zinc-organic framework constructed through in situ ligand synthesis for conversion of CO2 under mild conditions and luminescent sensor for Cr2O72-/CrO42-","Dalton Trans.","2017","","","","","10.1039/C7DT02819A","","x-ray","0.71073","MoKα","","0.0865","0.0677","","","0.1807","0.1984","","","","","","1.149","","","","has coordinates","200915","2020-10-21","18:00:00",""
"7044233","12.9043","0.001","25.937","0.002","14.6262","0.0011","90","","109.243","0.001","90","","4621.9","0.6","296","2","296","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C44 H29 F10 Ir N5 P -","- C44 H29 F10 Ir N5 P -","- C176 H116 F40 Ir4 N20 P4 -","4","1","","Li, Xiang; Yin, Yongheng; Gao, Pengli; Li, Weijie; Yan, Hong; Lu, Changsheng; Zhao, Qiang","A novel phosphorescent iridium(III) complex bearing donor-acceptor-type o−carboranylated ligand for endocellular hypoxia imaging","Dalton Trans.","2017","","","","","10.1039/C7DT03097E","","","0.71073","MoKα","","0.0661","0.042","","","0.1181","0.1326","","","","","","0.657","","","","has coordinates","200916","2020-10-21","18:00:00",""
"7044234","11.738","0.002","7.3043","0.0014","29.418","0.006","90","","94.827","0.004","90","","2513.3","0.8","296","2","296","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C24 H16 B10 N3 -","- C24 H16 B10 N3 -","- C96 H64 B40 N12 -","4","1","","Li, Xiang; Yin, Yongheng; Gao, Pengli; Li, Weijie; Yan, Hong; Lu, Changsheng; Zhao, Qiang","A novel phosphorescent iridium(III) complex bearing donor-acceptor-type o−carboranylated ligand for endocellular hypoxia imaging","Dalton Trans.","2017","","","","","10.1039/C7DT03097E","","","0.71073","MoKα","","0.1663","0.104","","","0.3138","0.3658","","","","","","1.199","","","","has coordinates","200916","2020-10-21","18:00:00",""
"7044235","33.1673","0.0009","17.3472","0.0005","34.857","0.0014","90","","105.877","0.003","90","","19290.2","1.1","120","","120","","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C411 H318 Au16 Cl14 N32 P16 -","- C411 H318 Au16 Cl14 N32 P16 -","- C822 H636 Au32 Cl28 N64 P32 -","2","0.5","","Ferrer, Montserrat; Giménez, Leticia; Gutiérrez, Albert; Lima, J. C. Carlos; Rodriguez, Laura; Martinez, Manuel; Martín, Avelino; Puttreddy, Rakesh; Rissanen, Kari","Polypyridyl-functionalizated alkynyl gold(I) metallaligands supported by tri- and tetradentate phosphanes","Dalton Trans.","2017","","","","","10.1039/C7DT02732J","","x-ray","1.54184","CuKα","","0.125","0.1094","","","0.2547","0.265","","","","","","1.087","","","","has coordinates,has disorder","200917","2020-10-21","18:00:00",""
"7044236","18.968","0.006","26.452","0.008","20.5749","0.0013","90","","90","","90","","10323","5","200","2","200","2","","","","","","","","5","P b c n","-P 2n 2ab","60","","","","- C102 H70 Au4 N8 P4 -","- C102 H70 Au4 N8 P4 -","- C408 H280 Au16 N32 P16 -","4","0.5","","Ferrer, Montserrat; Giménez, Leticia; Gutiérrez, Albert; Lima, J. C. Carlos; Rodriguez, Laura; Martinez, Manuel; Martín, Avelino; Puttreddy, Rakesh; Rissanen, Kari","Polypyridyl-functionalizated alkynyl gold(I) metallaligands supported by tri- and tetradentate phosphanes","Dalton Trans.","2017","","","","","10.1039/C7DT02732J","","x-ray","0.71073","MoKα","","0.1264","0.0916","","","0.2216","0.2476","","","","","","1.13","","","","has coordinates","200917","2020-10-21","18:00:00",""
"7044237","6.5331","0.0008","11.7969","0.0016","10.8497","0.0015","90","","91.742","0.005","90","","835.8","0.19","294","2","294","2","","","","","","","","7","P 1 21 1","P 2yb","4","","Chloro-(dimethylamino-(thieno[2,3-b]thiophen-2-yl)-carbene)-tetracarbonyl-rhenium","","- C13 H9 Cl N O4 Re S2 -","- C13 H9 Cl N O4 Re S2 -","- C26 H18 Cl2 N2 O8 Re2 S4 -","2","1","","Lamprecht, Zandria; Radhakrishnan, Shankara; Hildebrandt, Alexander; Lang, Heinrich; Liles, David Charles; Weststrate, Nora-ann; Lotz, Simon; Bezuidenhout, Daniela Ina","Mono-, di- and tetrarhenium Fischer carbene complexes with thienothiophene substituents","Dalton Trans.","2017","","","","","10.1039/C7DT02969A","","","0.71073","MoKα","","0.0574","0.0354","","","0.0565","0.0623","","","","","","0.94","","","","has coordinates,has disorder","200951","2020-10-21","18:00:00",""
"7044238","9.698","0.0005","13.1478","0.0006","17.4834","0.0009","90","","106.099","0.002","90","","2141.84","0.19","150","2","150","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","(Ethoxy-(thieno[2,3-b]thiophen-2-yl)-carbene)-nonacarbonyl-dirhenium","","- C18 H8 O10 Re2 S2 -","- C18 H8 O10 Re2 S2 -","- C72 H32 O40 Re8 S8 -","4","1","","Lamprecht, Zandria; Radhakrishnan, Shankara; Hildebrandt, Alexander; Lang, Heinrich; Liles, David Charles; Weststrate, Nora-ann; Lotz, Simon; Bezuidenhout, Daniela Ina","Mono-, di- and tetrarhenium Fischer carbene complexes with thienothiophene substituents","Dalton Trans.","2017","","","","","10.1039/C7DT02969A","","","0.71073","MoKα","","0.0432","0.0296","","","0.0665","0.0713","","","","","","1.061","","","","has coordinates","200951","2020-10-21","18:00:00",""
"7044239","7.3951","0.0004","14.2116","0.001","15.5998","0.0011","90","","90","","90","","1639.48","0.19","150","2","150","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","Bromo-(ethoxy-(thieno[3,2-b]thiophen-2-yl)-carbene)-tetracarbonyl-rhenium","","- C13 H8 Br O5 Re S2 -","- C13 H8 Br O5 Re S2 -","- C52 H32 Br4 O20 Re4 S8 -","4","1","","Lamprecht, Zandria; Radhakrishnan, Shankara; Hildebrandt, Alexander; Lang, Heinrich; Liles, David Charles; Weststrate, Nora-ann; Lotz, Simon; Bezuidenhout, Daniela Ina","Mono-, di- and tetrarhenium Fischer carbene complexes with thienothiophene substituents","Dalton Trans.","2017","","","","","10.1039/C7DT02969A","","","0.71073","MoKα","","0.0287","0.0269","","","0.0612","0.0617","","","","","","1.178","","","","has coordinates","200951","2020-10-21","18:00:00",""
"7044240","17.234","0.0009","6.4087","0.0004","16.266","0.0008","90","","116.618","0.0017","90","","1606.13","0.15","150","2","150","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","Bromo-(ethoxy-(thieno[2,3-b]thiophen-2-yl)-carbene)-tetracarbonyl-rhenium","","- C13 H8 Br O5 Re S2 -","- C13 H8 Br O5 Re S2 -","- C52 H32 Br4 O20 Re4 S8 -","4","1","","Lamprecht, Zandria; Radhakrishnan, Shankara; Hildebrandt, Alexander; Lang, Heinrich; Liles, David Charles; Weststrate, Nora-ann; Lotz, Simon; Bezuidenhout, Daniela Ina","Mono-, di- and tetrarhenium Fischer carbene complexes with thienothiophene substituents","Dalton Trans.","2017","","","","","10.1039/C7DT02969A","","","0.71073","MoKα","","0.0468","0.0315","","","0.0487","0.052","","","","","","1.06","","","","has coordinates","200951","2020-10-21","18:00:00",""
"7044241","9.6861","0.0004","12.7974","0.0005","17.8103","0.0008","90","","104.336","0.002","90","","2138.96","0.16","150","2","150","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","(Ethoxy-(thieno[3,2-b]thiophen-2-yl)-carbene)-nonacarbonyl-dirhenium","","- C18 H8 O10 Re2 S2 -","- C18 H8 O10 Re2 S2 -","- C72 H32 O40 Re8 S8 -","4","1","","Lamprecht, Zandria; Radhakrishnan, Shankara; Hildebrandt, Alexander; Lang, Heinrich; Liles, David Charles; Weststrate, Nora-ann; Lotz, Simon; Bezuidenhout, Daniela Ina","Mono-, di- and tetrarhenium Fischer carbene complexes with thienothiophene substituents","Dalton Trans.","2017","","","","","10.1039/C7DT02969A","","","0.71073","MoKα","","0.0359","0.0247","","","0.0497","0.0531","","","","","","1.066","","","","has coordinates","200951","2020-10-21","18:00:00",""
"7044242","10.1212","0.0007","13.5273","0.0011","14.1208","0.0012","90","","96.857","0.004","90","","1919.5","0.3","150","2","150","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","(Thieno[2,3-b]thiophen-2,5-diyl)-bis[(ethoxy-carbene)-nonacarbonyl-dirhenium]","","- C30 H12 O20 Re4 S2 -","- C30 H12 O20 Re4 S2 -","- C60 H24 O40 Re8 S4 -","2","0.5","","Lamprecht, Zandria; Radhakrishnan, Shankara; Hildebrandt, Alexander; Lang, Heinrich; Liles, David Charles; Weststrate, Nora-ann; Lotz, Simon; Bezuidenhout, Daniela Ina","Mono-, di- and tetrarhenium Fischer carbene complexes with thienothiophene substituents","Dalton Trans.","2017","","","","","10.1039/C7DT02969A","","","0.71073","MoKα","","0.0396","0.0303","","","0.0563","0.0589","","","","","","1.061","","","","has coordinates,has disorder","200951","2020-10-21","18:00:00",""
"7044243","12.4756","0.0013","13.5051","0.0014","14.9627","0.0015","75.1978","0.0009","75.7266","0.0009","70.1808","0.0009","2257.2","0.4","293","2","293","2","","","","","","","","10","P -1","-P 1","2","","","","- C45 H47 B Cl2 F4 Fe Ni O P2 S2 -","- C45 H47 B Cl2 F4 Fe Ni O P2 S2 -","- C90 H94 B2 Cl4 F8 Fe2 Ni2 O2 P4 S4 -","2","1","","Chu, Xiaoxiao; Yu, Xin; Raje, Sakthi; Angamuthu, Raja; Ma, Jian-ping; Tung, Chen-Ho; Wang, Wenguang","Synthetic [NiFe] Models with a Fluxional CO ligand","Dalton Trans.","2017","","","","","10.1039/C7DT02892J","","","0.71","MoKα","","0.0588","0.0387","","","0.0885","0.0997","","","","","","1.026","","","","has coordinates","200952","2020-10-21","18:00:00",""
"7044244","10.9924","0.0004","15.2087","0.0004","28.0744","0.0012","90","","94.973","0.004","90","","4675.8","0.3","293","2","293","2","","","","","","","","9","P 1 21/c 1","-P 2ybc","14","","","","- C44 H42 B2 F8 Fe Ni O P2 S2 -","- C44 H45 B2 F8 Fe Ni O P2 S2 -","- C176 H180 B8 F32 Fe4 Ni4 O4 P8 S8 -","4","1","","Chu, Xiaoxiao; Yu, Xin; Raje, Sakthi; Angamuthu, Raja; Ma, Jian-ping; Tung, Chen-Ho; Wang, Wenguang","Synthetic [NiFe] Models with a Fluxional CO ligand","Dalton Trans.","2017","","","","","10.1039/C7DT02892J","","","1.54184","CuKα","","0.1724","0.1362","","","0.3272","0.3509","","","","","","1.066","","","","has coordinates","200952","2020-10-21","18:00:00",""
"7044245","10.9679","0.0019","13.573","0.002","16.458","0.003","80.1447","0.0015","81.3355","0.0015","69.6593","0.0015","2252.3","0.7","173","2","173.15","","","","","","","","","9","P -1","-P 1","2","","","","- C40 H45 B F4 Fe Ni O P2 S2 -","- C40 H45 B F4 Fe Ni O P2 S2 -","- C80 H90 B2 F8 Fe2 Ni2 O2 P4 S4 -","2","1","","Chu, Xiaoxiao; Yu, Xin; Raje, Sakthi; Angamuthu, Raja; Ma, Jian-ping; Tung, Chen-Ho; Wang, Wenguang","Synthetic [NiFe] Models with a Fluxional CO ligand","Dalton Trans.","2017","","","","","10.1039/C7DT02892J","","","0.71","MoKα","","0.0445","0.0337","","","0.0807","0.0886","","","","","","1.111","","","","has coordinates","200952","2020-10-21","18:00:00",""
"7044246","15.394","0.003","13.1","0.002","25.93","0.004","90","","106.322","0.002","90","","5018.3","1.5","293","2","293","2","","","","","","","","9","P 1 21/c 1","-P 2ybc","14","","","","- C44 H45 B F4 Fe Ni O P2 S2 -","- C44 H45 B F4 Fe Ni O P2 S2 -","- C176 H180 B4 F16 Fe4 Ni4 O4 P8 S8 -","4","1","","Chu, Xiaoxiao; Yu, Xin; Raje, Sakthi; Angamuthu, Raja; Ma, Jian-ping; Tung, Chen-Ho; Wang, Wenguang","Synthetic [NiFe] Models with a Fluxional CO ligand","Dalton Trans.","2017","","","","","10.1039/C7DT02892J","","","0.71","MoKα","","0.1136","0.0702","","","0.1759","0.1948","","","","","","0.993","","","","has coordinates","200952","2020-10-21","18:00:00",""
"7044247","13.869","0.01","18.068","0.012","15.881","0.011","90","","95.945","0.008","90","","3958","5","293","2","293","2","","","","","","","","9","P 1 21/n 1","-P 2yn","14","","","","- C40 H45 B F4 Fe Ni O P2 S2 -","- C40 H45 B F4 Fe Ni O P2 S2 -","- C160 H180 B4 F16 Fe4 Ni4 O4 P8 S8 -","4","1","","Chu, Xiaoxiao; Yu, Xin; Raje, Sakthi; Angamuthu, Raja; Ma, Jian-ping; Tung, Chen-Ho; Wang, Wenguang","Synthetic [NiFe] Models with a Fluxional CO ligand","Dalton Trans.","2017","","","","","10.1039/C7DT02892J","","","0.71","MoKα","","0.0954","0.0462","","","0.0797","0.0993","","","","","","1.017","","","","has coordinates","200952","2020-10-21","18:00:00",""
"7044248","8.8189","0.0003","14.3858","0.0007","23.8316","0.0012","90","","92.563","0.003","90","","3020.4","0.2","100","2","100","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C28 H24 Fe2 N2 O6 S3 -","- C28 H24 Fe2 N2 O6 S3 -","- C112 H96 Fe8 N8 O24 S12 -","4","1","","Beltrán Álvarez, Tomás Francisco F.; Zaragoza, Guillermo; Delaude, Lionel","Small iron‒carbonyl clusters bearing imidazolium-2-trithioperoxycarboxylate ligands","Dalton Trans.","2017","","","","","10.1039/C7DT03202A","","x-ray","0.7107","MoKα","","0.0545","0.0354","","","0.0727","0.0803","","","","","","1.026","","","","has coordinates","200953","2020-10-21","18:00:00",""
"7044249","37.437","0.003","10.2622","0.0004","37.6634","0.0016","90","","95.91","0.002","90","","14392.8","1.4","100","2","100","2","","","","","","","","6","I 1 2/a 1","-I 2ya","15","","","","- C34 H36 Fe2 N2 O6 S3 -","- C34 H36 Fe2 N2 O6 S3 -","- C544 H576 Fe32 N32 O96 S48 -","16","2","","Beltrán Álvarez, Tomás Francisco F.; Zaragoza, Guillermo; Delaude, Lionel","Small iron‒carbonyl clusters bearing imidazolium-2-trithioperoxycarboxylate ligands","Dalton Trans.","2017","","","","","10.1039/C7DT03202A","","x-ray","0.7107","MoKα","","0.0727","0.0393","","","0.0816","0.0923","","","","","","1.015","","","","has coordinates","200953","2020-10-21","18:00:00",""
"7044250","9.68","0.003","16.427","0.005","14.08","0.005","90","","104.42","0.003","90","","2168.4","1.2","113","","113","","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C20 H32 Cl3 Ni Ta -","- C20 H32 Cl3 Ni Ta -","- C80 H128 Cl12 Ni4 Ta4 -","4","1","","Payel, Laskar; yamamoto, Keishi; Srinivas, Anga; Mifleur, Alexis; Nagae, Haruki; Tsurugi, Hayato; Mashima, Kazushi","Tantallacyclopentadiene as a Unique Metal-containing Diene Ligand Coordinated to Nickel for Preparing Tantalum—Nickel Heterobimetallic Complexes","Dalton Trans.","2017","","","","","10.1039/C7DT02481A","","","0.71075","MoKα","","0.0455","0.043","","","0.1063","0.1085","","","","","","1.114","","","","has coordinates","200954","2020-10-21","18:00:00",""
"7044251","13.97","0.012","15.59","0.014","19.4","0.017","93.51","0.018","91.04","0.012","95.95","0.017","4193","6","113","","113","","","","","","","","","6","P -1","-P 1","2","","","","- C85 H97 Cl6 Ni2 P4 Ta2 -","- C85 H97 Cl6 Ni2 P4 Ta2 -","- C170 H194 Cl12 Ni4 P8 Ta4 -","2","1","","Payel, Laskar; yamamoto, Keishi; Srinivas, Anga; Mifleur, Alexis; Nagae, Haruki; Tsurugi, Hayato; Mashima, Kazushi","Tantallacyclopentadiene as a Unique Metal-containing Diene Ligand Coordinated to Nickel for Preparing Tantalum—Nickel Heterobimetallic Complexes","Dalton Trans.","2017","","","","","10.1039/C7DT02481A","","","0.71075","MoKα","","0.0638","0.0491","","","0.1082","0.1217","","","","","","1.097","","","","has coordinates","200954","2020-10-21","18:00:00",""
"7044252","44.286","0.013","11.294","0.003","19.288","0.005","90","","105.361","0.004","90","","9303","4","113","","113","","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C48 H65 Cl3 N2 Ni Ta -","- C48 H65 Cl3 N2 Ni Ta -","- C384 H520 Cl24 N16 Ni8 Ta8 -","8","1","","Payel, Laskar; yamamoto, Keishi; Srinivas, Anga; Mifleur, Alexis; Nagae, Haruki; Tsurugi, Hayato; Mashima, Kazushi","Tantallacyclopentadiene as a Unique Metal-containing Diene Ligand Coordinated to Nickel for Preparing Tantalum—Nickel Heterobimetallic Complexes","Dalton Trans.","2017","","","","","10.1039/C7DT02481A","","","0.71075","MoKα","","0.0458","0.0423","","","0.0941","0.0969","","","","","","1.156","","","","has coordinates","200954","2020-10-21","18:00:00",""
"7044253","29.2617","0.0004","8.9792","0.0001","17.6242","0.0002","90","","92.099","0.001","90","","4627.59","0.1","150","2","150","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C47 H62 Br2 Fe N4 Ni Si2 -","- C47 H62 Br2 Fe N4 Ni Si2 -","- C188 H248 Br8 Fe4 N16 Ni4 Si8 -","4","1","","Driess, Matthias; Luecke, Marcel Philip; Porwal, Digvijay; Kostenko, Arseni; Zhou, Yupeng; Yao, Shenglai; Keck, Matthias; Limberg, Christian; Oestreich, Martin","Bis(silylenyl)-substituted ferrocene-stabilized 6-arene iron(0) complexes: synthesis, structure and catalytic application","Dalton Trans.","2017","","","","","10.1039/C7DT03301J","","","1.54184","CuKα","","0.0497","0.0392","","","0.0956","0.1023","","","","","","1.035","","","","has coordinates,has disorder","201011","2020-10-21","18:00:00",""
"7044254","16.3344","0.0001","13.6269","0.0001","24.085","0.0001","90","","91.314","0.001","90","","5359.6","0.06","150","0.1","150","0.1","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C46 H72 B10 Br2 N4 Ni Si2 -","- C46 H72 B10 Br2 N4 Ni Si2 -","- C184 H288 B40 Br8 N16 Ni4 Si8 -","4","1","","Driess, Matthias; Luecke, Marcel Philip; Porwal, Digvijay; Kostenko, Arseni; Zhou, Yupeng; Yao, Shenglai; Keck, Matthias; Limberg, Christian; Oestreich, Martin","Bis(silylenyl)-substituted ferrocene-stabilized 6-arene iron(0) complexes: synthesis, structure and catalytic application","Dalton Trans.","2017","","","","","10.1039/C7DT03301J","","","1.54184","CuKα","","0.0317","0.0304","","","0.0819","0.083","","","","","","1.05","","","","has coordinates","201011","2020-10-21","18:00:00",""
"7044255","27.1017","0.0003","15.66","0.0002","26.8284","0.0003","90","","115.784","0.002","90","","10252.7","0.3","150","2","150","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C32 H56 B10 N4 Si2 -","- C32 H56 B10 N4 Si2 -","- C256 H448 B80 N32 Si16 -","8","2","","Driess, Matthias; Luecke, Marcel Philip; Porwal, Digvijay; Kostenko, Arseni; Zhou, Yupeng; Yao, Shenglai; Keck, Matthias; Limberg, Christian; Oestreich, Martin","Bis(silylenyl)-substituted ferrocene-stabilized 6-arene iron(0) complexes: synthesis, structure and catalytic application","Dalton Trans.","2017","","","","","10.1039/C7DT03301J","","","1.54184","CuKα","","0.0704","0.053","","","0.1411","0.1514","","","","","","0.972","","","","has coordinates","206489","2020-10-21","18:00:00",""
"7044256","10.1791","0.0002","32.1548","0.0008","11.359","0.0002","90","","92.685","0.002","90","","3713.8","0.13","150","2","150","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C25 H54 B10 Br2 N4 Ni P2 -","- C25 H54 B10 Br2 N4 Ni P2 -","- C100 H216 B40 Br8 N16 Ni4 P8 -","4","1","","Driess, Matthias; Luecke, Marcel Philip; Porwal, Digvijay; Kostenko, Arseni; Zhou, Yupeng; Yao, Shenglai; Keck, Matthias; Limberg, Christian; Oestreich, Martin","Bis(silylenyl)-substituted ferrocene-stabilized 6-arene iron(0) complexes: synthesis, structure and catalytic application","Dalton Trans.","2017","","","","","10.1039/C7DT03301J","","","1.54184","CuKα","","0.075","0.0454","","","0.092","0.1067","","","","","","0.987","","","","has coordinates","201011","2020-10-21","18:00:00",""
"7044257","7.096","0.005","13.946","0.005","15.121","0.005","78.028","0.005","79.552","0.005","88.318","0.005","1439.5","1.2","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C54 H58 N8 Ni3 O24 -","- C54 H58 N8 Ni3 O24 -","- C54 H58 N8 Ni3 O24 -","1","0.5","","Liu, Zhi-Qiang; Zhao, Yue; Zhang, Xiu-Du; Kang, Yan-Shang; Lu, Qingyi; Azam, Mohammad; Al-Resayes, Saud I; Sun, Wei-Yin","Metal-organic frameworks with 1,4-di(1H-imidazol-4-yl)benzene and varied carboxylate ligands for selectively sensing Fe(III) Ion and ketone molecules","Dalton Trans.","2017","","","","","10.1039/C7DT02981K","","","0.71073","MoKα","","0.0585","0.0435","","","0.0996","0.1067","","","","","","1.056","","","","has coordinates","201012","2020-10-21","18:00:00",""
"7044258","11.4041","0.0009","21.3552","0.0016","10.8848","0.0008","90","","99.701","0.001","90","","2612.9","0.3","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C27 H20 Co N4 O6 -","- C27 H20 Co N4 O6 -","- C108 H80 Co4 N16 O24 -","4","1","","Liu, Zhi-Qiang; Zhao, Yue; Zhang, Xiu-Du; Kang, Yan-Shang; Lu, Qingyi; Azam, Mohammad; Al-Resayes, Saud I; Sun, Wei-Yin","Metal-organic frameworks with 1,4-di(1H-imidazol-4-yl)benzene and varied carboxylate ligands for selectively sensing Fe(III) Ion and ketone molecules","Dalton Trans.","2017","","","","","10.1039/C7DT02981K","","","0.71073","MoKα","","0.0516","0.0361","","","0.0932","0.1018","","","","","","1.028","","","","has coordinates","201012","2020-10-21","18:00:00",""
"7044259","9.2381","0.0007","10.1167","0.0008","11.702","0.0008","82.635","0.002","71.861","0.002","63.266","0.002","928.12","0.12","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C21 H13 Cd N2 O6 -","- C21 H13 Cd N2 O6 -","- C42 H26 Cd2 N4 O12 -","2","1","","Liu, Zhi-Qiang; Zhao, Yue; Zhang, Xiu-Du; Kang, Yan-Shang; Lu, Qingyi; Azam, Mohammad; Al-Resayes, Saud I; Sun, Wei-Yin","Metal-organic frameworks with 1,4-di(1H-imidazol-4-yl)benzene and varied carboxylate ligands for selectively sensing Fe(III) Ion and ketone molecules","Dalton Trans.","2017","","","","","10.1039/C7DT02981K","","","0.71073","MoKα","","0.0492","0.0474","","","0.1303","0.1427","","","","","","1.064","","","","has coordinates","201012","2020-10-21","18:00:00",""
"7044260","11.0779","0.0011","22.03","0.002","11.4217","0.001","90","","90","","90","","2787.4","0.4","293","2","293","2","","","","","","","","5","P n n a","-P 2a 2bc","52","","","","- C27 H18 N4 O5 Zn -","- C27 H18 N4 O5 Zn -","- C108 H72 N16 O20 Zn4 -","4","0.5","","Liu, Zhi-Qiang; Zhao, Yue; Zhang, Xiu-Du; Kang, Yan-Shang; Lu, Qingyi; Azam, Mohammad; Al-Resayes, Saud I; Sun, Wei-Yin","Metal-organic frameworks with 1,4-di(1H-imidazol-4-yl)benzene and varied carboxylate ligands for selectively sensing Fe(III) Ion and ketone molecules","Dalton Trans.","2017","","","","","10.1039/C7DT02981K","","","0.71073","MoKα","","0.1042","0.0655","","","0.1655","0.1872","","","","","","0.92","","","","has coordinates","201012","2020-10-21","18:00:00",""
"7044261","8.2163","0.0008","8.4161","0.0009","11.2943","0.0012","90","","100.477","0.001","90","","767.97","0.14","295","2","295","2","","","","","","","","3","C 1 2/m 1","-C 2y","12","","","","- Ge6 La2 Pd -","- Ge6 La2 Pd -","- Ge24 La8 Pd4 -","4","0.5","","Freccero, Riccardo; SOLOKHA, PAVLO; Proserpio, Davide M.; Saccone, Adriana; De Negri, Serena","A new glance on the R2MGe6 (R = rare earth metal, M=another metal) compounds. An experimental and theoretical study of R2PdGe6 germanides","Dalton Trans.","2017","","","","","10.1039/C7DT02686B","","","0.71073","MoKα","","0.0254","0.0242","","","0.0773","0.0778","","","","","","1.2","","","","has coordinates","201013","2020-10-21","18:00:00",""
"7044262","8.157","0.002","8.328","0.002","11.195","0.002","90","","100.391","0.003","90","","748","0.3","295","2","295","2","","","","","","","","3","C 1 2/m 1","-C 2y","12","","","","- Ge6 Pd Pr2 -","- Ge6 Pd Pr2 -","- Ge24 Pd4 Pr8 -","4","0.5","","Freccero, Riccardo; SOLOKHA, PAVLO; Proserpio, Davide M.; Saccone, Adriana; De Negri, Serena","A new glance on the R2MGe6 (R = rare earth metal, M=another metal) compounds. An experimental and theoretical study of R2PdGe6 germanides","Dalton Trans.","2017","","","","","10.1039/C7DT02686B","","","0.71073","MoKα","","0.0501","0.0357","","","0.1166","0.1209","","","","","","1.453","","","","has coordinates","201014","2020-10-21","18:00:00",""
"7044263","9.0173","0.0005","14.9995","0.0009","14.8171","0.0008","90","","106.402","0.006","90","","1922.5","0.2","120.01","0.1","120.01","0.1","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C30 H50 Cl4 Dy2 O10 -","- C30 H50 Cl4 Dy2 O10 -","- C60 H100 Cl8 Dy4 O20 -","2","0.5","","Moilanen, Jani; Mansikkamäki, Akseli; Lahtinen, Manu; Guo, Fu-Sheng; Kalenius, Elina; Layfield, Richard; Chibotaru, Liviu F.","Thermal expansion and magnetic properties of benzoquinone-bridged dinuclear rare-earth complexes","Dalton Trans.","2017","","","","","10.1039/C7DT02565C","","x-ray","1.54184","CuKα","","0.0584","0.0531","","","0.1496","0.1524","","","","","","1.179","","","","has coordinates","201015","2020-10-21","18:00:00",""
"7044264","9.0004","0.0002","14.8832","0.0003","14.8047","0.0003","90","","106.16","0.002","90","","1904.8","0.07","120","0.1","120","0.1","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C30 H50 Cl4 O10 Y2 -","- C30 H50 Cl4 O10 Y2 -","- C60 H100 Cl8 O20 Y4 -","2","0.5","","Moilanen, Jani; Mansikkamäki, Akseli; Lahtinen, Manu; Guo, Fu-Sheng; Kalenius, Elina; Layfield, Richard; Chibotaru, Liviu F.","Thermal expansion and magnetic properties of benzoquinone-bridged dinuclear rare-earth complexes","Dalton Trans.","2017","","","","","10.1039/C7DT02565C","","x-ray","1.54184","CuKα","","0.0354","0.0296","","","0.0717","0.0764","","","","","","1.037","","","","has coordinates","201015","2020-10-21","18:00:00",""
"7044265","6.3882","0.00016","9.9721","0.0003","11.9758","0.0003","90","","100.55","0.003","90","","750.01","0.04","120.01","0.1","120.01","0.1","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","2,5-Bis[(trimethylsilyl)oxy]-2,5-cyclohexadiene-1,4-dione","","- C12 H20 O4 Si2 -","- C12 H20 O4 Si2 -","- C24 H40 O8 Si4 -","2","0.5","","Moilanen, Jani; Mansikkamäki, Akseli; Lahtinen, Manu; Guo, Fu-Sheng; Kalenius, Elina; Layfield, Richard; Chibotaru, Liviu F.","Thermal expansion and magnetic properties of benzoquinone-bridged dinuclear rare-earth complexes","Dalton Trans.","2017","","","","","10.1039/C7DT02565C","","x-ray","1.54184","CuKα","","0.0332","0.0314","","","0.0814","0.0834","","","","","","1.036","","","","has coordinates","201015","2020-10-21","18:00:00",""
"7044266","13.494","0.003","13.523","0.003","14.425","0.003","90","","90","","90","","2632.3","1","120","2","120","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C24 H20 Cl5 Mo N5 O2 -","- C24 H20 Cl5 Mo N5 O2 -","- C96 H80 Cl20 Mo4 N20 O8 -","4","1","","Mironov, Vladimir Sergeevich; Bazhenova, Tamara A.; Manakin, Yuriy; Lyssenko, Konstantin; Talantsev, Artem Dmitrievich; Yagubskii, Eduard B.","New Mo(IV) complex with the pentadentate (N3O2) Schiff-base ligand: The first non-cyanide pentagonal-bipyramidal paramagnetic 4d complex","Dalton Trans.","2017","","","","","10.1039/C7DT02912H","","","0.71073","MoKα","","0.0477","0.0386","","","0.0965","0.1068","","","","","","1.045","","","","has coordinates","201016","2020-10-21","18:00:00",""
"7044267","8.5326","0.0008","14.1129","0.0014","19.7994","0.0019","90","","99.368","0.002","90","","2352.4","0.4","110","2","110","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C23 H19 Cl2 Mo N5 O2 -","- C23 H19 Cl2 Mo N5 O2 -","- C92 H76 Cl8 Mo4 N20 O8 -","4","1","","Mironov, Vladimir Sergeevich; Bazhenova, Tamara A.; Manakin, Yuriy; Lyssenko, Konstantin; Talantsev, Artem Dmitrievich; Yagubskii, Eduard B.","New Mo(IV) complex with the pentadentate (N3O2) Schiff-base ligand: The first non-cyanide pentagonal-bipyramidal paramagnetic 4d complex","Dalton Trans.","2017","","","","","10.1039/C7DT02912H","","","0.71073","MoKα","","0.0567","0.0398","","","0.089","0.0963","","","","","","1.063","","","","has coordinates","201016","2020-10-21","18:00:00",""
"7044268","10.8823","0.0012","11.4591","0.0012","14.1152","0.0015","102.027","0.002","110.939","0.002","113.321","0.002","1378.3","0.3","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C26 H25 Eu N4 O14 -","- C26 H25 Eu N4 O14 -","- C52 H50 Eu2 N8 O28 -","2","1","","Feng, Xun; Guo, Nan; Chen, Haipeng; Wang, Helin; Chen, Xin; Yue, Lingyun; Ng, Seik Weng; Liu, Xinfang; Ma, Lufang; Wang, Liya","Series anionic host coordination polymers based on azoxybenzene carboxylate: structures, luminescence and magnetic properties","Dalton Trans.","2017","","","","","10.1039/C7DT02974H","","","0.71073","MoKα","","0.0643","0.0445","","","0.0839","0.093","","","","","","0.961","","","","has coordinates,has disorder","201017","2020-10-21","18:00:00",""
"7044269","10.8893","0.0006","11.4543","0.0007","14.1156","0.0008","101.791","0.001","110.966","0.0009","113.361","0.0008","1380.72","0.14","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C26 H25 Dy N4 O14 -","- C26 H25 Dy N4 O14 -","- C52 H50 Dy2 N8 O28 -","2","1","","Feng, Xun; Guo, Nan; Chen, Haipeng; Wang, Helin; Chen, Xin; Yue, Lingyun; Ng, Seik Weng; Liu, Xinfang; Ma, Lufang; Wang, Liya","Series anionic host coordination polymers based on azoxybenzene carboxylate: structures, luminescence and magnetic properties","Dalton Trans.","2017","","","","","10.1039/C7DT02974H","","","0.71073","MoKα","","0.0459","0.0399","","","0.1175","0.124","","","","","","1.078","","","","has coordinates,has disorder","201017","2020-10-21","18:00:00",""
"7044270","10.8744","0.0006","11.4722","0.0006","14.0935","0.0007","102.019","0.0008","110.93","0.0007","113.522","0.0008","1373.61","0.13","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C26 H25 Er N4 O14 -","- C26 H25 Er N4 O14 -","- C52 H50 Er2 N8 O28 -","2","1","","Feng, Xun; Guo, Nan; Chen, Haipeng; Wang, Helin; Chen, Xin; Yue, Lingyun; Ng, Seik Weng; Liu, Xinfang; Ma, Lufang; Wang, Liya","Series anionic host coordination polymers based on azoxybenzene carboxylate: structures, luminescence and magnetic properties","Dalton Trans.","2017","","","","","10.1039/C7DT02974H","","","0.71073","MoKα","","0.026","0.0235","","","0.0604","0.062","","","","","","1.012","","","","has coordinates,has disorder","201017","2020-10-21","18:00:00",""
"7044271","10.9023","0.0003","11.4881","0.0003","13.1686","0.0004","108.622","0.002","95.609","0.002","113.432","0.002","1385.36","0.08","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C26 H25 N4 O14 Tb -","- C26 H24 N4 O14 Tb -","- C52 H48 N8 O28 Tb2 -","2","1","","Feng, Xun; Guo, Nan; Chen, Haipeng; Wang, Helin; Chen, Xin; Yue, Lingyun; Ng, Seik Weng; Liu, Xinfang; Ma, Lufang; Wang, Liya","Series anionic host coordination polymers based on azoxybenzene carboxylate: structures, luminescence and magnetic properties","Dalton Trans.","2017","","","","","10.1039/C7DT02974H","","","0.71073","MoKα","","0.027","0.0253","","","0.0656","0.0667","","","","","","1.074","","","","has coordinates","201017","2020-10-21","18:00:00",""
"7044272","11.059","0.0006","11.6279","0.0007","13.3101","0.0008","108.666","0.0008","95.5856","0.001","113.422","0.0008","1437.46","0.15","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C26 H25 Gd N4 O14 -","- C26 H25 Gd N4 O14 -","- C52 H50 Gd2 N8 O28 -","2","1","","Feng, Xun; Guo, Nan; Chen, Haipeng; Wang, Helin; Chen, Xin; Yue, Lingyun; Ng, Seik Weng; Liu, Xinfang; Ma, Lufang; Wang, Liya","Series anionic host coordination polymers based on azoxybenzene carboxylate: structures, luminescence and magnetic properties","Dalton Trans.","2017","","","","","10.1039/C7DT02974H","","","0.71073","MoKα","","0.0398","0.036","","","0.1002","0.1044","","","","","","1.06","","","","has coordinates","201017","2020-10-21","18:00:00",""
"7044273","10.889","0.004","11.454","0.005","13.192","0.009","108.803","0.009","95.641","0.008","113.361","0.006","1380.6","1.2","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C26 H25 N4 O14 Sm -","- C26 H22 N4 O14 Sm -","- C52 H44 N8 O28 Sm2 -","2","1","","Feng, Xun; Guo, Nan; Chen, Haipeng; Wang, Helin; Chen, Xin; Yue, Lingyun; Ng, Seik Weng; Liu, Xinfang; Ma, Lufang; Wang, Liya","Series anionic host coordination polymers based on azoxybenzene carboxylate: structures, luminescence and magnetic properties","Dalton Trans.","2017","","","","","10.1039/C7DT02974H","","","0.71073","MoKα","","0.0439","0.0388","","","0.1182","0.1255","","","","","","1.076","","","","has coordinates","201017","2020-10-21","18:00:00",""
"7044274","26.245","0.003","10.6383","0.0006","36.765","0.003","90","","90.065","0.008","90","","10264.9","1.6","110","1","110","1","","","","","","","no","5","C 1 2/c 1","-C 2yc","15","no","complex of decamethylchromocene with triphenylcorrole, o-dichlorobenzene solvate","","- C63 H59 Cl2 Cr N4 -","- C63 H59 Cl2 Cr N4 -","- C504 H472 Cl16 Cr8 N32 -","8","1","","Konarev, Dmitri V.; Karimov, Dmitry R.; Khasanov, Salavat S.; Shestakov, Alexander F.; Otsuka, Akihiro; Yamochi, Hideki; Kitagawa, Hiroshi; Lyubovskaya, Rimma N.","Solid state structures and properties of free-base 5, 10, 15-triphenylcorrole (TPCor) anions obtained by deprotonation and reduction. Effective magnetic coupling of spins in (Cp*2Cr+)(H+){H2TPCor(.2-)}.C6H4Cl2","Dalton Trans.","2017","","","","","10.1039/C7DT02901B","","x-ray","0.71073","MoKα","","0.1572","0.0787","","","0.1593","0.1959","","","","","","1.015","","","","has coordinates,has disorder","201018","2020-10-21","18:00:00",""
"7044275","13.0302","0.0002","18.0323","0.0003","21.3928","0.0004","90","","96.142","0.002","90","","4997.69","0.15","110","1","110","1","","","","","","","no","6","P 1 21/n 1","-P 2yn","14","no","salt of deprotonated triphenylcorrole with cryptand sodium cations, o-dichlobenzene solvate","","- C58 H63 Cl N6 Na O6 -","- C58 H63 Cl N6 Na O6 -","- C232 H252 Cl4 N24 Na4 O24 -","4","1","","Konarev, Dmitri V.; Karimov, Dmitry R.; Khasanov, Salavat S.; Shestakov, Alexander F.; Otsuka, Akihiro; Yamochi, Hideki; Kitagawa, Hiroshi; Lyubovskaya, Rimma N.","Solid state structures and properties of free-base 5, 10, 15-triphenylcorrole (TPCor) anions obtained by deprotonation and reduction. Effective magnetic coupling of spins in (Cp*2Cr+)(H+){H2TPCor(.2-)}.C6H4Cl2","Dalton Trans.","2017","","","","","10.1039/C7DT02901B","","x-ray","0.71073","MoKα","","0.0569","0.0462","","","0.1248","0.1332","","","","","","1.032","","","","has coordinates,has disorder","201018","2020-10-21","18:00:00",""
"7044276","8.0369","0.0003","10.5256","0.0003","10.8572","0.0004","61.544","0.001","69.296","0.001","79.238","0.002","755.15","0.05","170","2","170","","","","","","","","","4","P -1","-P 1","2","","","","- C32 H38 Rh2 S4 -","- C32 H38 Rh2 S4 -","- C32 H38 Rh2 S4 -","1","0.5","","Pitto-Barry, Anaïs; Lupan, Alexandru; Zegke, Markus; Swift, Thomas; Attia, Amr A. A.; Lord, Rianne M.; Barry, Nicolas P. E.","Pseudo electron-deficient organometallics: limited reactivity towards electron-donating ligands","Dalton Trans.","2017","","","","","10.1039/C7DT02827J","","","1.54178","CuKα","","0.0324","0.0321","","","0.0811","0.0814","","","","","","1.104","","","","has coordinates","201056","2020-10-21","18:00:00",""
"7044277","8.4853","0.0007","13.8473","0.0013","29.535","0.002","90","","90","","90","","3470.3","0.5","170","2","170.01","","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C16 H17 Cl2 Ir S2 -","- C16 H17 Cl2 Ir S2 -","- C128 H136 Cl16 Ir8 S16 -","8","1","","Pitto-Barry, Anaïs; Lupan, Alexandru; Zegke, Markus; Swift, Thomas; Attia, Amr A. A.; Lord, Rianne M.; Barry, Nicolas P. E.","Pseudo electron-deficient organometallics: limited reactivity towards electron-donating ligands","Dalton Trans.","2017","","","","","10.1039/C7DT02827J","","","1.54178","CuKα","","0.0752","0.0542","","","0.1319","0.1439","","","","","","1.07","","","","has coordinates","201056","2020-10-21","18:00:00",""
"7044278","8.3501","0.0003","11.576","0.0004","15.4298","0.0005","90","","93.101","0.002","90","","1489.27","0.09","170","2","170.02","","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C32 H36 Ru2 S4 -","- C32 H36 Ru2 S4 -","- C64 H72 Ru4 S8 -","2","0.5","","Pitto-Barry, Anaïs; Lupan, Alexandru; Zegke, Markus; Swift, Thomas; Attia, Amr A. A.; Lord, Rianne M.; Barry, Nicolas P. E.","Pseudo electron-deficient organometallics: limited reactivity towards electron-donating ligands","Dalton Trans.","2017","","","","","10.1039/C7DT02827J","","","1.54178","CuKα","","0.0729","0.0702","","","0.1805","0.1845","","","","","","1.053","","","","has coordinates","201056","2020-10-21","18:00:00",""
"7044279","13.0325","0.0009","15.8037","0.001","16.5123","0.001","90","","90","","90","","3400.9","0.4","170","2","170","","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C16 H16 Cl2 Os S2 -","- C16 H16 Cl2 Os S2 -","- C128 H128 Cl16 Os8 S16 -","8","1","","Pitto-Barry, Anaïs; Lupan, Alexandru; Zegke, Markus; Swift, Thomas; Attia, Amr A. A.; Lord, Rianne M.; Barry, Nicolas P. E.","Pseudo electron-deficient organometallics: limited reactivity towards electron-donating ligands","Dalton Trans.","2017","","","","","10.1039/C7DT02827J","","","1.54178","CuKα","","0.0388","0.0379","","","0.098","0.0986","","","","","","1.208","","","","has coordinates","201056","2020-10-21","18:00:00",""
"7044280","12.8814","0.0018","14.442","0.002","22.538","0.003","107.055","0.002","94.26","0.002","111.323","0.002","3656.2","0.9","120","2","120","2","","","","","","","","7","P -1","-P 1","2","","","","- C73 H69 Cl3 Cu2 N8 O10.5 P4 -","- C73 H59 Cl3 Cu2 N8 O10.5 P4 -","- C146 H118 Cl6 Cu4 N16 O21 P8 -","2","1","","Arce, Pablo; Vera , Cristian M.; Escudero, Dayra L.; Guerrero, Juan; Lappin, Alexander G.; Oliver, Allen Grayson; Jara, Danilo H.; Ferraudi, G.; Lemus, Luis A.","Structural diversity in Cu(I) complexes of the PNP ligand: from pincer to binuclear coordination modes and their effects upon the electrochemical and photophysical properties.","Dalton Trans.","2017","","","","","10.1039/C7DT02244A","","","0.71073","MoKα","","0.0525","0.0397","","","0.1031","0.1111","","","","","","1.026","","","","has coordinates,has disorder","287876","2023-11-30","07:26:55",""
"7044281","9.5788","0.0011","13.3745","0.0016","17.068","0.002","105.687","0.003","93.029","0.003","101.325","0.003","2051.1","0.4","120","2","120","2","","","","","","","","7","P -1","-P 1","2","","","","- C45 H43 Cl Cu N5 O5 P2 -","- C43 H37 Cl Cu N5 O4 P2 -","- C86 H74 Cl2 Cu2 N10 O8 P4 -","2","1","","Arce, Pablo; Vera , Cristian M.; Escudero, Dayra L.; Guerrero, Juan; Lappin, Alexander G.; Oliver, Allen Grayson; Jara, Danilo H.; Ferraudi, G.; Lemus, Luis A.","Structural diversity in Cu(I) complexes of the PNP ligand: from pincer to binuclear coordination modes and their effects upon the electrochemical and photophysical properties.","Dalton Trans.","2017","","","","","10.1039/C7DT02244A","","","0.71073","MoKα","","0.0812","0.0522","","","0.1348","0.1467","","","","","","1.02","","","","has coordinates","201057","2020-10-21","18:00:00",""
"7044282","10.4216","0.0009","30.083","0.003","13.3873","0.0011","90","","90.832","0.002","90","","4196.6","0.7","120","2","120","2","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C47 H40 Cl Cu N3 O4 P3 -","- C47 H40 Cl Cu N3 O4 P3 -","- C188 H160 Cl4 Cu4 N12 O16 P12 -","4","1","","Arce, Pablo; Vera , Cristian M.; Escudero, Dayra L.; Guerrero, Juan; Lappin, Alexander G.; Oliver, Allen Grayson; Jara, Danilo H.; Ferraudi, G.; Lemus, Luis A.","Structural diversity in Cu(I) complexes of the PNP ligand: from pincer to binuclear coordination modes and their effects upon the electrochemical and photophysical properties.","Dalton Trans.","2017","","","","","10.1039/C7DT02244A","","","0.71073","MoKα","","0.0581","0.0378","","","0.0803","0.0861","","","","","","1.061","","","","has coordinates","201057","2020-10-21","18:00:00",""
"7044283","19.6651","0.0016","12.159","0.0011","22.774","0.002","90","","104.059","0.002","90","","5282.3","0.8","120","2","120","2","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C58 H50 Cl Cu N6 O4.34 P4 -","- C58 H50 Cl Cu N6 O4.34 P4 -","- C232 H200 Cl4 Cu4 N24 O17.36 P16 -","4","1","","Arce, Pablo; Vera , Cristian M.; Escudero, Dayra L.; Guerrero, Juan; Lappin, Alexander G.; Oliver, Allen Grayson; Jara, Danilo H.; Ferraudi, G.; Lemus, Luis A.","Structural diversity in Cu(I) complexes of the PNP ligand: from pincer to binuclear coordination modes and their effects upon the electrochemical and photophysical properties.","Dalton Trans.","2017","","","","","10.1039/C7DT02244A","","","0.71073","MoKα","","0.0617","0.0395","","","0.0906","0.101","","","","","","1.022","","","","has coordinates,has disorder","201057","2020-10-21","18:00:00",""
"7044284","5.2573","0.0008","20.338","0.003","11.7359","0.0017","90","","90.393","0.002","90","","1254.8","0.3","150","2","150","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C13 H11 N3 O S -","- C13 H11 N3 O S -","- C52 H44 N12 O4 S4 -","4","1","","Nandre, Jitendra P.; Patil, Samadhan R.; Sahoo, Suban K.; Pradeep, Chullikkattil P.; Churakov, Andrei; Yu, Fabiao; Chen, Lingxin; Redshaw, Carl; Patil, Ashok Anandrao; Patil, Umesh Daga","Chemosensor for micro to nano-molar detection of Ag+ and Hg2+ ions in pure aqueous media and its applications in cell imaging","Dalton Trans.","2017","","","","","10.1039/C7DT02524F","","","0.71073","MoKα","","0.0628","0.0373","","","0.0797","0.0886","","","","","","1.006","","","","has coordinates","201058","2020-10-21","18:00:00",""
"7044285","11.4988","0.0012","11.5886","0.0012","23.465","0.002","78.702","0.002","87.143","0.002","62.144","0.002","2707.8","0.5","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C48 H46 Ce2 N4 O16 -","- C48 H46 Ce2 N4 O16 -","- C96 H92 Ce4 N8 O32 -","2","1","","Das, Sabuj Kanti; Chatterjee, Sauvik; Bhunia, Subhajit; Mondal, Abhishake; Mitra, Partha; Kumari, Vandana; Pradhan, Anirban; Bhaumik, Asim","A new strongly paramagnetic cerium containing microporous MOF for CO2 fixation under ambient conditions","Dalton Trans.","2017","","","","","10.1039/C7DT02040F","","","0.71073","MoKα","","0.0619","0.0382","","","0.0728","0.0803","","","","","","0.976","","","","has coordinates","201059","2020-10-21","18:00:00",""
"7044286","17.477","0.003","6.0354","0.0007","21.647","0.003","90","","94.787","0.006","90","","2275.4","0.6","173","2","173","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C10 H4 N16 O20 -","- C10 H4 N16 O20 -","- C40 H16 N64 O80 -","4","1","","Yu, Qiong; Cheng, Guangbin; Ju, Xuehai; Lu, Chunxu; Lin, Qiuhan; Yang, Hongwei","An interesting 1,4,2,5-dioxadiazine-furazan system: structural modification by incorporating versatile functionalities","Dalton Trans.","2017","","","","","10.1039/C7DT02098H","","","0.71073","MoKα","","0.1743","0.0607","","","0.0737","0.0959","","","","","","1.011","","","","has coordinates","201060","2020-10-21","18:00:00",""
"7044287","8.3127","0.0007","8.4521","0.0008","10.3335","0.0009","84.769","0.004","83.777","0.003","85.505","0.003","717.02","0.11","173","2","173","2","","","","","","","","4","P -1","-P 1","2","","","","- C6 H10 N12 O9 -","- C6 H10 N12 O9 -","- C12 H20 N24 O18 -","2","1","","Yu, Qiong; Cheng, Guangbin; Ju, Xuehai; Lu, Chunxu; Lin, Qiuhan; Yang, Hongwei","An interesting 1,4,2,5-dioxadiazine-furazan system: structural modification by incorporating versatile functionalities","Dalton Trans.","2017","","","","","10.1039/C7DT02098H","","","0.71073","MoKα","","0.106","0.0483","","","0.0946","0.112","","","","","","1.041","","","","has coordinates,has disorder","201060","2020-10-21","18:00:00",""
"7044288","12.4278","0.0018","4.1913","0.0005","14.865","0.0019","90","","113.668","0.005","90","","709.17","0.16","172","2","172","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C6 H8 N12 O10 -","- C6 H8 N12 O10 -","- C12 H16 N24 O20 -","2","0.5","","Yu, Qiong; Cheng, Guangbin; Ju, Xuehai; Lu, Chunxu; Lin, Qiuhan; Yang, Hongwei","An interesting 1,4,2,5-dioxadiazine-furazan system: structural modification by incorporating versatile functionalities","Dalton Trans.","2017","","","","","10.1039/C7DT02098H","","","0.71073","MoKα","","0.0782","0.0398","","","0.0743","0.0849","","","","","","1.046","","","","has coordinates","201060","2020-10-21","18:00:00",""
"7044289","21.716","0.002","6.6158","0.0006","16.972","0.002","90","","129.579","0.003","90","","1879.3","0.3","173","2","173","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C8 H14 N18 O8 -","- C8 H14 N18 O8 -","- C32 H56 N72 O32 -","4","0.5","","Yu, Qiong; Cheng, Guangbin; Ju, Xuehai; Lu, Chunxu; Lin, Qiuhan; Yang, Hongwei","An interesting 1,4,2,5-dioxadiazine-furazan system: structural modification by incorporating versatile functionalities","Dalton Trans.","2017","","","","","10.1039/C7DT02098H","","","0.71073","MoKα","","0.0742","0.0392","","","0.0783","0.0899","","","","","","1.024","","","","has coordinates","201060","2020-10-21","18:00:00",""
"7044290","13.336","0.0014","4.4928","0.0005","16.633","0.002","90","","96.477","0.004","90","","990.22","0.19","173","2","173","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C8 H10 N22 O8 -","- C8 H10 N22 O8 -","- C16 H20 N44 O16 -","2","0.5","","Yu, Qiong; Cheng, Guangbin; Ju, Xuehai; Lu, Chunxu; Lin, Qiuhan; Yang, Hongwei","An interesting 1,4,2,5-dioxadiazine-furazan system: structural modification by incorporating versatile functionalities","Dalton Trans.","2017","","","","","10.1039/C7DT02098H","","","0.71073","MoKα","","0.0959","0.0433","","","0.0845","0.1008","","","","","","1.033","","","","has coordinates","201060","2020-10-21","18:00:00",""
"7044291","24.9941","0.0019","24.9941","0.0019","5.1946","0.0008","90","","90","","120","","2810.3","0.5","173","2","173","2","","","","","","","","5","R -3 :H","-R 3","148","","","","- C6.33 H2.67 Cl0.67 N10 O8 -","- C6.34 H2.68 Cl0.68 N10 O8 -","- C57.06 H24.12 Cl6.12 N90 O72 -","9","0.5","","Yu, Qiong; Cheng, Guangbin; Ju, Xuehai; Lu, Chunxu; Lin, Qiuhan; Yang, Hongwei","An interesting 1,4,2,5-dioxadiazine-furazan system: structural modification by incorporating versatile functionalities","Dalton Trans.","2017","","","","","10.1039/C7DT02098H","","","0.71073","MoKα","","0.1127","0.0503","","","0.1073","0.1291","","","","","","1.01","","","","has coordinates","201060","2020-10-21","18:00:00",""
"7044292","6.0094","0.0009","29.742","0.005","6.0976","0.001","90","","114.883","0.006","90","","988.7","0.3","173","2","173","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C10 H6 N14 O16 -","- C10 H6 N14 O16 -","- C20 H12 N28 O32 -","2","0.5","","Yu, Qiong; Cheng, Guangbin; Ju, Xuehai; Lu, Chunxu; Lin, Qiuhan; Yang, Hongwei","An interesting 1,4,2,5-dioxadiazine-furazan system: structural modification by incorporating versatile functionalities","Dalton Trans.","2017","","","","","10.1039/C7DT02098H","","","0.71076","MoKα","","0.1284","0.0514","","","0.0822","0.1008","","","","","","1.02","","","","has coordinates","201060","2020-10-21","18:00:00",""
"7044293","7.7876","0.0004","33.2606","0.0015","11.3796","0.0005","90","","101.152","0.001","90","","2891.9","0.2","173","2","173","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C24 H8 Cl6 Eu2 O13 -","- C24 H8 Cl6 Eu2 O13 -","- C96 H32 Cl24 Eu8 O52 -","4","1","","He, Hongming; Chen, Si-Hang; Zhang, De-Yu; Hao, Rui; Zhang, Chao; Yang, En-Cui; Zhao, Xiao-Jun","A micrometer-sized europium(III)-organic framework for selective sensing of Cr2O72‒ anion and picric acid in water system","Dalton Trans.","2017","","","","","10.1039/C7DT02531A","","","0.71073","MoKα","","0.0301","0.0267","","","0.0529","0.0542","","","","","","1.069","","","","has coordinates","201061","2020-10-21","18:00:00",""
"7044294","18.502","0.0002","18.502","0.0002","20.9217","0.0006","90","","90","","90","","7162","0.2","293","2","293","2","","","","","","","","7","I 4/m m m","-I 4 2","139","","","","- C28 H20 Cu6 I2 N4 O20 S0 -","- C28 H12 Cu6 I2 N4 O20 -","- C112 H48 Cu24 I8 N16 O80 -","4","0.125","","Xue, zhenzhen; Zhang, Di; Pan, Jie; Han, Song-De; Li, Jinhua; Wang, Guo-Ming","A porous copper-organic framework with intersecting channels and gas adsorption properties","Dalton Trans.","2017","","","","","10.1039/C7DT03339G","","","1.54178","CuKα","","0.0437","0.0426","","","0.1394","0.1409","","","","","","1.085","","","","has coordinates","201062","2020-10-21","18:00:00",""
"7044295","6.0059","0.001","11.602","0.002","10.627","0.0018","90","","92.272","0.002","90","","739.9","0.2","100","2","100","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C6 H11 As O3 -","- C6 H11 As O3 -","- C24 H44 As4 O12 -","4","1","","Feng, Yutian; Phelps, Tim E.; Carroll, Valerie; Gallazzi, Fabio; Sieckman, Gary; Hoffman, Timothy J.; Barnes, Charles L.; Ketring, Alan R.; Hennkens, Heather M.; Jurisson, Silvia","Chemistry and Radiochemistry of Arsenic, Rhenium and Rhodium Isotopes Relevant to Radiopharmaceutical Applications: Development of High Specific Activity Radionuclides for Imaging and Treatment","Dalton Trans.","2017","","","","","10.1039/C7DT02407J","","","0.71073","MoKα","","0.0234","0.0211","","","0.0546","0.0555","","","","","","1.079","","","","has coordinates","201096","2020-10-21","18:00:00",""
"7044296","11.3897","0.0008","11.3897","0.0008","15.1197","0.0012","90","","90","","120","","1698.6","0.2","173","2","173","2","","","","","","","","5","R -3 c :H","-R 3 2""c","167","","trilithium potassium iron(II) trioxalate","","- C6 Fe K Li3 O12 -","- C6 Fe K Li3 O12 -","- C36 Fe6 K6 Li18 O72 -","6","0.166667","","Yao, Wenjiao; Guo, Yuanyuan; Lightfoot, Philip","KLi3Fe(C2O4)3: a perovskite-like compound with 1:3 ordering at both A and B sites","Dalton Trans.","2017","","","","","10.1039/C7DT03468G","","","0.71075","MoKα","","0.0449","0.0269","","","0.0797","0.1052","","","","","","0.807","","","","has coordinates","201097","2020-10-21","18:00:00",""
"7044297","11.3214","0.0013","12.5342","0.0015","17.149","0.002","90","","104.77","0.003","90","","2353.1","0.5","100","2","100","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C22 H28 Cl4 N2 W -","- C22 H28 Cl4 N2 W -","- C88 H112 Cl16 N8 W4 -","4","1","","Bartalucci, Niccolò; Bortoluzzi, Marco; Funaioli, Tiziana; Marchetti, Fabio; Pampaloni, Guido; Zacchini, Stefano","Allowing the direct interaction of N-aryl α-diimines with a high valent metal chloride: one-pot WCl6-promoted formation of quinoxalinium salts","Dalton Trans.","2017","","","","","10.1039/C7DT03226A","","","0.71073","MoKα","","0.0644","0.0585","","","0.1524","0.1562","","","","","","1.045","","","","has coordinates","201158","2020-10-21","18:00:00",""
"7044298","9.9556","0.0003","13.4893","0.0004","23.5871","0.0007","80.107","0.002","77.848","0.001","89.233","0.002","3049.73","0.16","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","","","- C24 H31 Cl8 N2 W -","- C24 H31 Cl8 N2 W -","- C96 H124 Cl32 N8 W4 -","4","2","","Bartalucci, Niccolò; Bortoluzzi, Marco; Funaioli, Tiziana; Marchetti, Fabio; Pampaloni, Guido; Zacchini, Stefano","Allowing the direct interaction of N-aryl α-diimines with a high valent metal chloride: one-pot WCl6-promoted formation of quinoxalinium salts","Dalton Trans.","2017","","","","","10.1039/C7DT03226A","","","0.71073","MoKα","","0.0563","0.0483","","","0.1154","0.1197","","","","","","1.084","","","","has coordinates","201158","2020-10-21","18:00:00",""
"7044299","21.9855","0.0016","9.6676","0.0007","30.261","0.002","90","","90","","90","","6431.9","0.8","150","2","150.15","","","","","","","","","6","P b c a","-P 2ac 2ab","61","","","","- C27 H41 Cl4 N5 O2 U -","- C27 H41 Cl4 N5 O2 U -","- C216 H328 Cl32 N40 O16 U8 -","8","1","","Korzekwa, Jana; Scheurer, Andreas; Heinemann, Frank; Meyer, Karsten","Synthesis and Characterization of Uranium(IV) Tetrachloro Complexes in Bis-Pyrazolylpyridine Ligand Environments","Dalton Trans.","2017","","","","","10.1039/C7DT02947K","","","0.71073","MoKα","","0.0413","0.0268","","","0.0627","0.0692","","","","","","1.057","","","","has coordinates","201160","2020-10-21","18:00:00",""
"7044300","9.8297","0.0002","19.9918","0.0003","17.9909","0.0003","90","","102.924","0.001","90","","3445.89","0.11","100","2","100","2","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C31 H41.4 Cl4 N5 O U -","- C31 H41.4 Cl4 N5 O U -","- C124 H165.6 Cl16 N20 O4 U4 -","4","2","","Korzekwa, Jana; Scheurer, Andreas; Heinemann, Frank; Meyer, Karsten","Synthesis and Characterization of Uranium(IV) Tetrachloro Complexes in Bis-Pyrazolylpyridine Ligand Environments","Dalton Trans.","2017","","","","","10.1039/C7DT02947K","","","0.71073","MoKα","","0.0268","0.0227","","","0.0553","0.0568","","","","","","1.038","","","","has coordinates,has disorder","201160","2020-10-21","18:00:00",""
"7044301","27.109","0.003","11.7208","0.0013","17.7957","0.0019","90","","99.689","0.003","90","","5573.7","1.1","120","2","120","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C44 H63 Cl8 N10 O0.5 U2 -","- C44 H63 Cl8 N10 O0.5 U2 -","- C176 H252 Cl32 N40 O2 U8 -","4","1","","Korzekwa, Jana; Scheurer, Andreas; Heinemann, Frank; Meyer, Karsten","Synthesis and Characterization of Uranium(IV) Tetrachloro Complexes in Bis-Pyrazolylpyridine Ligand Environments","Dalton Trans.","2017","","","","","10.1039/C7DT02947K","","","0.71073","MoKα","","0.041","0.029","","","0.0659","0.0709","","","","","","1.023","","","","has coordinates","201160","2020-10-21","18:00:00",""
"7044302","13.6426","0.0011","28.025","0.002","17.53","0.0014","90","","90","","90","","6702.3","0.9","100","2","100","2","","","","","","","","6","P 21 21 2","P 2 2ab","18","","","","- C31 H41 Cl4 N5 O0.5 U -","- C31 H41 Cl4 N5 O0.5 U -","- C248 H328 Cl32 N40 O4 U8 -","8","2","","Korzekwa, Jana; Scheurer, Andreas; Heinemann, Frank; Meyer, Karsten","Synthesis and Characterization of Uranium(IV) Tetrachloro Complexes in Bis-Pyrazolylpyridine Ligand Environments","Dalton Trans.","2017","","","","","10.1039/C7DT02947K","","","0.71073","MoKα","","0.0377","0.0254","","","0.0469","0.0494","","","","","","1.016","","","","has coordinates","201160","2020-10-21","18:00:00",""
"7044303","12.271","0.003","12.82","0.003","18.976","0.005","74.524","0.015","79.375","0.016","69.606","0.013","2682.8","1.2","293","2","293","2","","","","","","","","7","P -1","-P 1","2","","","","- C24 H64 Cl2 Fe2 N8 O16 Pt2 -","- C24 H64 Cl2 Fe2 N8 O16 Pt2 -","- C48 H128 Cl4 Fe4 N16 O32 Pt4 -","2","1","","Uemura, Kazuhiro; Taoka, Masahiro","Isolation and Characterization of Tetranuclear Pt‒Fe—Fe‒Pt Intermediate en Route to the Trinuclear Pt‒Fe‒Pt Cluster","Dalton Trans.","2017","","","","","10.1039/C7DT02583A","","","0.7107","MoKα","","0.1004","0.0621","","","0.1461","0.1706","","","","","","0.952","","","","has coordinates","201161","2020-10-21","18:00:00",""
"7044304","10.4124","0.0003","13.6997","0.0003","16.9554","0.0005","71.664","0.002","86.558","0.002","69.587","0.002","2148.3","0.11","110","2","110","2","","","","","","","","7","P -1","-P 1","2","","","","- C83 H100 F12 Ni2 P4 Ru2 S8 -","- C83 H100 F12 Ni2 P4 Ru2 S8 -","- C83 H100 F12 Ni2 P4 Ru2 S8 -","1","0.5","","Gezer, Gamze; Verbeek, Sjoerd; Siegler, Maxime A.; Bouwman, Elisabeth","Nickel-Ruthenium-Based Complexes as Biomimetic Models of [NiFe] and [NiFeSe] Hydrogenases for Dihydrogen Evolution","Dalton Trans.","2017","","","","","10.1039/C7DT02631E","","","1.54178","CuKα","","0.0328","0.028","","","0.069","0.0725","","","","","","1.027","","","","has coordinates,has disorder","201162","2020-10-21","18:00:00",""
"7044305","10.4311","0.0002","13.7933","0.0003","17.0273","0.0003","71.685","0.002","86.5782","0.0017","69.258","0.002","2171.35","0.08","110","2","110","2","","","","","","","","8","P -1","-P 1","2","","","","- C83 H100 F12 Ni2 P4 Ru2 S4 Se4 -","- C83 H100 F12 Ni2 P4 Ru2 S4 Se4 -","- C83 H100 F12 Ni2 P4 Ru2 S4 Se4 -","1","0.5","","Gezer, Gamze; Verbeek, Sjoerd; Siegler, Maxime A.; Bouwman, Elisabeth","Nickel-Ruthenium-Based Complexes as Biomimetic Models of [NiFe] and [NiFeSe] Hydrogenases for Dihydrogen Evolution","Dalton Trans.","2017","","","","","10.1039/C7DT02631E","","","1.54178","CuKα","","0.0337","0.0287","","","0.0698","0.0736","","","","","","1.064","","","","has coordinates,has disorder","201162","2020-10-21","18:00:00",""
"7044306","6.736","0.0007","8.1254","0.0009","8.4748","0.0009","62.402","0.002","83.171","0.002","65.905","0.002","373.84","0.07","173","","173","","","","","","","","","4","P -1","-P 1","2","","","","- C3 H5 N5 O6 -","- C3 H5 N5 O6 -","- C6 H10 N10 O12 -","2","1","","Yan, Chao; Wang, Kangcai; Liu, Tianlin; Yang, Hongwei; cheng, guangbing; Zhang, Qinghua","Exploiting the Energetic Potential of 1,2,4-Oxadiazole Derivatives: Combining the Benefits of 1,2,4-Oxadiazole Framework with Various Energetic Functionalities","Dalton Trans.","2017","","","","","10.1039/C7DT03320F","","","0.71073","MoKα","","0.0367","0.0333","","","0.0961","0.0995","","","","","","1.071","","","","has coordinates","201163","2020-10-21","18:00:00",""
"7044307","6.8618","0.001","7.1833","0.001","7.7371","0.0011","84.776","0.003","82.401","0.003","64.52","0.002","341","0.08","173","","173","","","","","","","","","5","P -1","-P 1","2","","","","- C3 H K N4 O5 -","- C3 H K N4 O5 -","- C6 H2 K2 N8 O10 -","2","1","","Yan, Chao; Wang, Kangcai; Liu, Tianlin; Yang, Hongwei; cheng, guangbing; Zhang, Qinghua","Exploiting the Energetic Potential of 1,2,4-Oxadiazole Derivatives: Combining the Benefits of 1,2,4-Oxadiazole Framework with Various Energetic Functionalities","Dalton Trans.","2017","","","","","10.1039/C7DT03320F","","","0.71073","MoKα","","0.0343","0.033","","","0.1039","0.1056","","","","","","1.154","","","","has coordinates","201163","2020-10-21","18:00:00",""
"7044308","3.7059","0.0009","25.344","0.006","7.2132","0.0017","90","","101.824","0.004","90","","663.1","0.3","173","","173","","","","","","","","","4","C 1 c 1","C -2yc","9","","","","- C3 H5 N7 O2 -","- C3 H5 N7 O2 -","- C12 H20 N28 O8 -","4","1","","Yan, Chao; Wang, Kangcai; Liu, Tianlin; Yang, Hongwei; cheng, guangbing; Zhang, Qinghua","Exploiting the Energetic Potential of 1,2,4-Oxadiazole Derivatives: Combining the Benefits of 1,2,4-Oxadiazole Framework with Various Energetic Functionalities","Dalton Trans.","2017","","","","","10.1039/C7DT03320F","","","0.71073","MoKα","","0.0409","0.0354","","","0.0746","0.0776","","","","","","1.032","","","","has coordinates","201163","2020-10-21","18:00:00",""
"7044309","9.0167","0.0019","10.224","0.002","13.146","0.003","90","","90","","90","","1211.9","0.4","173","","173","","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C3 H2 N6 O2 -","- C3 H2 N6 O2 -","- C24 H16 N48 O16 -","8","1","","Yan, Chao; Wang, Kangcai; Liu, Tianlin; Yang, Hongwei; cheng, guangbing; Zhang, Qinghua","Exploiting the Energetic Potential of 1,2,4-Oxadiazole Derivatives: Combining the Benefits of 1,2,4-Oxadiazole Framework with Various Energetic Functionalities","Dalton Trans.","2017","","","","","10.1039/C7DT03320F","","","0.71073","MoKα","","0.0422","0.0368","","","0.09","0.0933","","","","","","1.12","","","","has coordinates","201163","2020-10-21","18:00:00",""
"7044310","7.0339","0.0014","7.2398","0.0014","7.9636","0.0015","84.593","0.003","83.386","0.004","64.874","0.003","364.26","0.12","173","","173","","","","","","","","","4","P -1","-P 1","2","","","","- C3 H5 N5 O5 -","- C3 H5 N5 O5 -","- C6 H10 N10 O10 -","2","1","","Yan, Chao; Wang, Kangcai; Liu, Tianlin; Yang, Hongwei; cheng, guangbing; Zhang, Qinghua","Exploiting the Energetic Potential of 1,2,4-Oxadiazole Derivatives: Combining the Benefits of 1,2,4-Oxadiazole Framework with Various Energetic Functionalities","Dalton Trans.","2017","","","","","10.1039/C7DT03320F","","","0.71073","MoKα","","0.0585","0.0516","","","0.1467","0.153","","","","","","1.056","","","","has coordinates","201163","2020-10-21","18:00:00",""
"7044311","16.3103","0.0015","28.272","0.003","23.888","0.002","90","","108.481","0.003","90","","10447.3","1.7","296","2","296","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","YZU-105","[TBA]3[H3PMo12O40][Zn4L1]","","- C69 H125 Mo12 N3 O46 P Zn4 -","- C69 H113 Mo12 N3 O46 P Zn4 -","- C276 H452 Mo48 N12 O184 P4 Zn16 -","4","1","","Dong, Bao-Xia; Hua-Bo, Chen; Wu, Yi-Chen; Zhao, Juan; Teng, Yun-Lei; Liu, Wen-long; Li, Zong-Wei","Construction of (3,6)-connected Polyoxometalate-Based Metal-Organic Frameworks (POMOFs) from Triangular Carboxylate and Dimerized Zn4-ε-Keggin","Dalton Trans.","2017","","","","","10.1039/C7DT03452K","","","0.71073","MoKα","","0.0502","0.0385","","","0.0953","0.1018","","","","","","1.028","","","","has coordinates","201193","2020-10-21","18:00:00",""
"7044312","17.257","0.004","21.715","0.004","24.743","0.006","90","","98.94","0.007","90","","9159","4","296","2","296","2","","","","","","","","7","P 1 21/n 1","-P 2yn","14","YZU-106","[TPA]3[H3PMo12O40][Zn4L2].0.5H2O","","- C114 H204 Mo24 N6 O93 P2 Zn8 -","- C114 H190 Mo24 N6 O93 P2 Zn8 -","- C228 H380 Mo48 N12 O186 P4 Zn16 -","2","0.5","","Dong, Bao-Xia; Hua-Bo, Chen; Wu, Yi-Chen; Zhao, Juan; Teng, Yun-Lei; Liu, Wen-long; Li, Zong-Wei","Construction of (3,6)-connected Polyoxometalate-Based Metal-Organic Frameworks (POMOFs) from Triangular Carboxylate and Dimerized Zn4-ε-Keggin","Dalton Trans.","2017","","","","","10.1039/C7DT03452K","","","0.71073","MoKα","","0.0521","0.0399","","","0.1003","0.1055","","","","","","1.036","","","","has coordinates","201193","2020-10-21","18:00:00",""
"7044313","17.244","0.002","22.208","0.003","15.317","0.002","90","","94.834","0.003","90","","5844.9","1.3","100","2","100","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C48 H94 N2 O21 V6 -","- C48 H94 N2 O21 V6 -","- C192 H376 N8 O84 V24 -","4","1","","Linnenberg, Oliver; Kondinski, Aleksandar; Stöcker, Cornelia; Monakhov, Kirill","The Cu(I)-catalysed Huisgen 1,3-dipolar cycloaddition route to (bio-)organic functionalisation of polyoxovanadates","Dalton Trans.","2017","","","","","10.1039/C7DT03376A","","","0.71073","MoKα","","0.0804","0.051","","","0.1151","0.1276","","","","","","1.049","","","","has coordinates","201194","2020-10-21","18:00:00",""
"7044314","11.4733","0.0017","11.9543","0.0017","14.603","0.002","73.992","0.002","71.464","0.002","78.819","0.003","1812.9","0.4","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","","","- C56 H108 N8 O25 V6 -","- C56 H108 N8 O25 V6 -","- C56 H108 N8 O25 V6 -","1","0.5","","Linnenberg, Oliver; Kondinski, Aleksandar; Stöcker, Cornelia; Monakhov, Kirill","The Cu(I)-catalysed Huisgen 1,3-dipolar cycloaddition route to (bio-)organic functionalisation of polyoxovanadates","Dalton Trans.","2017","","","","","10.1039/C7DT03376A","","","0.71073","MoKα","","0.0819","0.0564","","","0.1388","0.153","","","","","","1.046","","","","has coordinates,has disorder","201194","2020-10-21","18:00:00",""
"7044315","33.683","0.002","13.1767","0.0009","16.5993","0.0008","90","","108.896","0.004","90","","6970.2","0.7","150","2","150","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C49 H94 N2 O16 U2 -","- C49 H94 N2 O16 U2 -","- C196 H376 N8 O64 U8 -","4","0.5","","Thuéry, Pierre; Harrowfield, Jack","The crystalline α,ω-dicarboxylate metal complex with the longest aliphatic chain to date: uranyl 1,15-pentadecanedioate","Dalton Trans.","2017","","","","","10.1039/C7DT03273K","","","0.71073","MoKα","","0.0585","0.0377","","","0.0986","0.1051","","","","","","1.019","","","","has coordinates","201195","2020-10-21","18:00:00",""
"7044316","12.2043","0.0008","22.7956","0.0014","18.6567","0.0012","90","","93.2555","0.0009","90","","5182","0.6","273","2","273","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","(2,9-bis(2,4,6-triisopropylphenyl)-1,10-phenanthroline)-(1,10-phenanthroline)-copper hexafluorophosphate dichloromethane solvate","","- C55 H62 Cl2 Cu F6 N4 P -","- C55 H62 Cl2 Cu F6 N4 P -","- C220 H248 Cl8 Cu4 F24 N16 P4 -","4","1","","Kohler, Lars; Hadt, Ryan G.; Hayes, Dugan; Chen, Lin X.; Mulfort, Karen L.","Synthesis, structure, and excited state kinetics of heteroleptic Cu(i) complexes with a new sterically demanding phenanthroline ligand","Dalton Trans.","2017","","","","","10.1039/C7DT02476B","","","0.71073","MoKα","","0.041","0.0372","","","0.102","0.1052","","","","","","0.999","","","","has coordinates","201249","2020-10-21","18:00:00",""
"7044317","22.851","0.009","19.517","0.007","25.628","0.009","90","","90.164","0.005","90","","11430","7","100","2","100","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","(2,9-bis(2,4,6-triisopropylphenyl)-1,10-phenanthroline)-(2,9-dimethyl-1,10-phenanthroline)-copper hexafluorophosphate diethyl ether solvate","","- C60 H74 Cu F6 N4 O P -","- C60 H74 Cu F6 N4 O P -","- C480 H592 Cu8 F48 N32 O8 P8 -","8","2","","Kohler, Lars; Hadt, Ryan G.; Hayes, Dugan; Chen, Lin X.; Mulfort, Karen L.","Synthesis, structure, and excited state kinetics of heteroleptic Cu(i) complexes with a new sterically demanding phenanthroline ligand","Dalton Trans.","2017","","","","","10.1039/C7DT02476B","","","0.71073","MoKα","","0.1206","0.0821","","","0.1884","0.2099","","","","","","1.09","","","","has coordinates","206489","2020-10-21","18:00:00",""
"7044318","9.921","0.009","3.372","0.003","9.469","0.008","90","","90","","90","","316.8","0.5","293","2","293","2","","","","","","","","4","P n m a","-P 2ac 2n","62","","","","- B Cd O4 Sc -","- B Cd0.9995 O4 Sc1.0005 -","- B4 Cd3.998 O16 Sc4.002 -","4","0.5","","Ma, Ruru; Xu, Dongdong; Yang, Yun; Su, Xin; Lei, Bing-Hua; Yang, Zhihua; Pan, ShiLie","ScMO(BO3) (M = Ca, Cd)：New Sc-based oxyborates featuring interesting edge-sharing sandwich-like chains and UV cut-off edges","Dalton Trans.","2017","","","","","10.1039/C7DT03172F","","","0.71073","MoKα","","0.0302","0.0258","","","0.0637","0.0788","","","","","","1.263","","","","has coordinates","201250","2020-10-21","18:00:00",""
"7044319","10.283","0.004","3.3636","0.0013","9.432","0.004","90","","90","","90","","326.2","0.2","296","2","296","2","","","","","","","","4","P n m a","-P 2ac 2n","62","","","","- B Ca O4 Sc -","- B Ca O4 Sc -","- B4 Ca4 O16 Sc4 -","4","0.5","","Ma, Ruru; Xu, Dongdong; Yang, Yun; Su, Xin; Lei, Bing-Hua; Yang, Zhihua; Pan, ShiLie","ScMO(BO3) (M = Ca, Cd)：New Sc-based oxyborates featuring interesting edge-sharing sandwich-like chains and UV cut-off edges","Dalton Trans.","2017","","","","","10.1039/C7DT03172F","","","0.71073","MoKα","","0.018","0.0152","","","0.046","0.048","","","","","","1.174","","","","has coordinates","201250","2020-10-21","18:00:00",""
"7044320","10.3104","0.0004","10.9762","0.0004","12.2084","0.0002","67.979","0.002","82.612","0.006","83.122","0.003","1266.33","0.07","200","1","200","1","","","","","","","no","5","P -1","-P 1","2","no","pentamethylcyclopentadienyl(thioindigo dianion) chromiunm dimer","","- C58 H60 Cr2 O4 S4 -","- C58 H60 Cr2 O4 S4 -","- C58 H60 Cr2 O4 S4 -","1","0.5","","Konarev, Dmitri V.; Khasanov, Salavat S.; Shestakov, Alexander F.; Fatalov, Alexey M.; Batov, Mikhail S.; Otsuka, Akihiro; Yamochi, Hideki; Kitagawa, Hiroshi; Lyubovskaya, Rimma N.","Cis-thioindigo (TI) ‒ a new ligand with accessible radical anion and dianion states. Strong magnetic coupling in the {[TI-(μ2-O),(μ-O)] Cp*Cr}2 dimers.","Dalton Trans.","2017","","","","","10.1039/C7DT02878D","","x-ray","0.71073","MoKα","","0.0348","0.0293","","","0.079","0.0828","","","","","","1.048","","","","has coordinates,has disorder","201291","2020-10-21","18:00:00",""
"7044321","12.2584","0.0003","14.4597","0.0003","19.1968","0.0005","90","","96.589","0.002","90","","3380.21","0.14","110","2","110","2","","","","","","","no","6","P 1 21 1","P 2yb","4","no","salt of thioindigo radical anions with cryptand[2,2,2] sodium","","- C34 H44 N2 Na O8 S2 -","- C34 H44 N2 Na O8 S2 -","- C136 H176 N8 Na4 O32 S8 -","4","2","","Konarev, Dmitri V.; Khasanov, Salavat S.; Shestakov, Alexander F.; Fatalov, Alexey M.; Batov, Mikhail S.; Otsuka, Akihiro; Yamochi, Hideki; Kitagawa, Hiroshi; Lyubovskaya, Rimma N.","Cis-thioindigo (TI) ‒ a new ligand with accessible radical anion and dianion states. Strong magnetic coupling in the {[TI-(μ2-O),(μ-O)] Cp*Cr}2 dimers.","Dalton Trans.","2017","","","","","10.1039/C7DT02878D","","x-ray","0.71073","MoKα","","0.0568","0.0401","","","0.0801","0.0884","","","","","","1.028","","","","has coordinates,has disorder","201291","2020-10-21","18:00:00",""
"7044322","8.5798","0.0002","11.2874","0.0003","22.5286","0.0005","90","","97.823","0.002","90","","2161.45","0.09","150","0.1","150","0.1","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","PTCA-Cu","","- C18 H30 Cu N4 O8 -","- C18 H30 Cu N4 O8 -","- C72 H120 Cu4 N16 O32 -","4","1","","Venkateswarulu, M.; Gambhir, Diksha; Kaur, Harpreet; Daniel, P. Vineeth; Mondal, Prosenjit; Koner, Rik Rani","A long-range emissive mega-Stokes inorganic‒organic hybrid material with peripheral carboxyl functionality for As(v) recognition and its application in bioimaging","Dalton Trans.","2017","","","","","10.1039/C7DT02387A","","x-ray","1.54184","CuKα","","0.0448","0.0428","","","0.1092","0.1112","","","","","","1.024","","","","has coordinates","201292","2020-10-21","18:00:00",""
"7044323","9.3017","0.0005","14.0136","0.0007","14.6344","0.0008","111.689","0.0007","103.584","0.0007","100.611","0.0007","1643.62","0.15","90","2","90","2","","","","","","","","6","P -1","-P 1","2","","","","- C30 H29 Cl2 Mn N7 O10 -","- C30 H29 Cl2 Mn N7 O10 -","- C60 H58 Cl4 Mn2 N14 O20 -","2","1","","Ghosh, Kaushik; Singh, Ovender; Tyagi, Nidhi; Olmstead, Marilyn M.","Design of synthetic superoxide dismutase mimetics: Seven-coordinate water soluble Manganese(II) and Iron(II) complexes and their superoxide dismutase like activity studies","Dalton Trans.","2017","","","","","10.1039/C7DT03278A","","","0.71073","MoKα","","0.0344","0.0326","","","0.0857","0.0872","","","","","","1.057","","","","has coordinates,has disorder","201293","2020-10-21","18:00:00",""
"7044324","16.2831","0.001","8.1985","0.0005","24.479","0.0014","90","","101.909","0.003","90","","3197.5","0.3","296","2","296","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C29 H25 Cl2 Fe N7 O9 -","- C29 H25 Cl2 Fe N7 O9 -","- C116 H100 Cl8 Fe4 N28 O36 -","4","1","","Ghosh, Kaushik; Singh, Ovender; Tyagi, Nidhi; Olmstead, Marilyn M.","Design of synthetic superoxide dismutase mimetics: Seven-coordinate water soluble Manganese(II) and Iron(II) complexes and their superoxide dismutase like activity studies","Dalton Trans.","2017","","","","","10.1039/C7DT03278A","","","0.71073","MoKα","","0.071","0.0431","","","0.1239","0.149","","","","","","1.094","","","","has coordinates","201293","2020-10-21","18:00:00",""
"7044325","10.7064","0.0018","11.8965","0.0017","14.505","0.002","66.593","0.006","77.962","0.006","70.259","0.006","1589.9","0.4","296","2","296","2","","","","","","","n.a.","6","P -1","-P 1","2","BiR","N-(7-(dimethylamino)-5-phenyl-10-(o-tolyl)dibenzo[b,e]bismin-3(5H)-ylidene)-N-methylmethanaminium","","- C32 H33 Bi F6 N3 P -","- C32 H33 Bi F6 N3 P -","- C64 H66 Bi2 F12 N6 P2 -","2","1","","Hirayama, Tasuku; Mukaimine, Akari; Nishigaki, Kenta; Tsuboi, Hitomi; Hirosawa, Shusaku; Okuda, Kensuke; Ebihara, Masahiro; Nagasawa, Hideko","Bismuth-rhodamine: a new red light-excitable photosensitizer","Dalton Trans.","2017","","","","","10.1039/C7DT03194G","","","0.71075","MoKα","","0.0458","0.0391","","","0.0997","0.1065","","","","","","1.062","","","","has coordinates","201294","2020-10-21","18:00:00",""
"7044326","33.3064","0.001","33.3064","0.001","9.5764","0.0006","90","","90","","120","","9200","0.7","296","2","296","2","","","","","","","","5","R 3 :H","R 3","146","","","","- C40 H32 N6 O11 Zn2 -","- C40 H32 N6 O11.3333 Zn2 -","- C360 H288 N54 O102 Zn18 -","9","1","","Zhang, Mingdao; Li, Yan-Le; Shi, Zhen-Zhen; Ma, Jing; Zheng, Hegen","A pair of 3D enantiotopic zinc(II) complexes based on two asymmetric achiral ligands","Dalton Trans.","2017","","","","","10.1039/C7DT03205F","","","0.71073","MoKα","","0.0632","0.0572","","","0.1602","0.165","","","","","","1.031","","","","has coordinates","201330","2020-10-21","18:00:00",""
"7044327","33.3463","0.0016","33.3463","0.0016","9.5459","0.001","90","","90","","120","","9192.7","1.1","296","2","296","2","","","","","","","","5","R 3 :H","R 3","146","","","","- C120 H98 N18 O34 Zn6 -","- C120 H97.9998 N18 O34 Zn6 -","- C360 H293.999 N54 O102 Zn18 -","3","0.333333","","Zhang, Mingdao; Li, Yan-Le; Shi, Zhen-Zhen; Ma, Jing; Zheng, Hegen","A pair of 3D enantiotopic zinc(II) complexes based on two asymmetric achiral ligands","Dalton Trans.","2017","","","","","10.1039/C7DT03205F","","","0.71073","MoKα","","0.0626","0.0547","","","0.128","0.1319","","","","","","0.995","","","","has coordinates","201330","2020-10-21","18:00:00",""
"7044328","25.875","0.004","29.103","0.002","23.05","0.002","90","","121.355","0.018","90","","14823","4","170.5","","170.5","","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C86 H64 N12 O30 S2 Ti6 -","- C86 H64 N12 O30 S2 Ti6 -","- C344 H256 N48 O120 S8 Ti24 -","4","0.5","","Zhu, Long-Guan; Wu, Rong-Hui; Guo, Ming; Yu, Mingxin","Two Titanium(IV)-Oxo-Clusters: Synthesis, Structures, Character-ization and Recycling Catalytic Activity in Oxygenation of Sulfide","Dalton Trans.","2017","","","","","10.1039/C7DT02516E","","","0.71073","MoKα","","0.2302","0.1731","","","0.4903","0.5218","","","","","","1.831","","","","has coordinates","201331","2020-10-21","18:00:00",""
"7044329","13.5404","0.0003","13.5404","0.0003","27.7844","0.001","90","","90","","90","","5094.1","0.2","293","2","293","2","","","","","","","","6","I -4","I -4","82","","","","- C76 H48 N8 O28 S4 Ti4 -","- C76 H48 N8 O28 S4 Ti4 -","- C152 H96 N16 O56 S8 Ti8 -","2","0.25","","Zhu, Long-Guan; Wu, Rong-Hui; Guo, Ming; Yu, Mingxin","Two Titanium(IV)-Oxo-Clusters: Synthesis, Structures, Character-ization and Recycling Catalytic Activity in Oxygenation of Sulfide","Dalton Trans.","2017","","","","","10.1039/C7DT02516E","","","0.71073","MoKα","","0.1107","0.0945","","","0.2565","0.2631","","","","","","1.721","","","","has coordinates","201331","2020-10-21","18:00:00",""
"7044330","25.005","0.005","16.962","0.003","24.923","0.005","90","","100.7","0.03","90","","10387","4","293","2","293","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C60 H64 Cu3 N10 O74 P2 W18 -","- C60 H40 Cu3 N10 O74 P2 W18 -","- C240 H160 Cu12 N40 O296 P8 W72 -","4","1","","Cui, Xiaobing; Lv, Ying; xiao, lina; hao, xiangrong; Xu, Ji-Qing","A series of organic-inorganic hybrid compounds formed by [P2W18O62]6- and several types of transition metal complexes","Dalton Trans.","2017","","","","","10.1039/C7DT02814H","","","0.71073","MoKα","","0.0544","0.0399","","","0.0763","0.0811","","","","","","1.025","","","","has coordinates","201332","2020-10-21","18:00:00",""
"7044331","16.8038","0.001","25.7731","0.001","26.1871","0.0012","90","","90","","90","","11341.3","1","296","2","296","2","","","","","","","","6","C 2 2 21","C 2c 2","20","","","","- C36 H56 N6 O75 P2 W18 -","- C36 H24 N6 O75 P2 W18 -","- C144 H96 N24 O300 P8 W72 -","4","0.5","","Cui, Xiaobing; Lv, Ying; xiao, lina; hao, xiangrong; Xu, Ji-Qing","A series of organic-inorganic hybrid compounds formed by [P2W18O62]6- and several types of transition metal complexes","Dalton Trans.","2017","","","","","10.1039/C7DT02814H","","","0.71073","MoKα","","0.1251","0.0556","","","0.1217","0.1466","","","","","","1.008","","","","has coordinates","201332","2020-10-21","18:00:00",""
"7044332","26.2355","0.0016","14.0823","0.0008","24.7429","0.0014","90","","110.68","0.001","90","","8552.4","0.9","296","2","296","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C40 H47 Cu3 N8 O69.5 P2 W18 -","- C40 H32 Cu3 N8 O69.5 P2 W18 -","- C160 H128 Cu12 N32 O278 P8 W72 -","4","1","","Cui, Xiaobing; Lv, Ying; xiao, lina; hao, xiangrong; Xu, Ji-Qing","A series of organic-inorganic hybrid compounds formed by [P2W18O62]6- and several types of transition metal complexes","Dalton Trans.","2017","","","","","10.1039/C7DT02814H","","","0.71073","MoKα","","0.0468","0.0357","","","0.0799","0.0859","","","","","","1.096","","","","has coordinates","201332","2020-10-21","18:00:00",""
"7044333","15.01","0.0014","16.5959","0.0016","23.378","0.002","69.86","0.002","76.982","0.002","66.312","0.002","4981.2","0.8","296","2","296","2","","","","","","","","6","P -1","-P 1","2","","","","- C66 H50 N11 O62 P2 W18 -","- C66 H44 N11 O62 P2 W18 -","- C132 H88 N22 O124 P4 W36 -","2","1","","Cui, Xiaobing; Lv, Ying; xiao, lina; hao, xiangrong; Xu, Ji-Qing","A series of organic-inorganic hybrid compounds formed by [P2W18O62]6- and several types of transition metal complexes","Dalton Trans.","2017","","","","","10.1039/C7DT02814H","","","0.71073","MoKα","","0.0948","0.0754","","","0.1763","0.192","","","","","","1.049","","","","has coordinates","201332","2020-10-21","18:00:00",""
"7044334","14.0325","0.0013","19.878","0.0019","26.649","0.002","96.102","0.002","94.382","0.002","110.602","0.002","6866.7","1.1","296","2","296","2","","","","","","","","7","P -1","-P 1","2","","","","- C100 H83 Ag5 N20 O63 P2 W18 -","- C100 H80 Ag5 N20 O63 P2 W18 -","- C200 H160 Ag10 N40 O126 P4 W36 -","2","1","","Cui, Xiaobing; Lv, Ying; xiao, lina; hao, xiangrong; Xu, Ji-Qing","A series of organic-inorganic hybrid compounds formed by [P2W18O62]6- and several types of transition metal complexes","Dalton Trans.","2017","","","","","10.1039/C7DT02814H","","","0.71073","MoKα","","0.1049","0.0797","","","0.1927","0.2176","","","","","","1.034","","","","has coordinates","201332","2020-10-21","18:00:00",""
"7044335","14.149","0.003","16.868","0.003","25.741","0.005","76.89","0.03","79.79","0.03","67.57","0.03","5503","2","293","2","293","2","","","","","","","","7","P -1","-P 1","2","","","","- C70 H64 Ag6 N14 O66 P2 W18 -","- C70 H56 Ag6 N14 O66 P2 W18 -","- C140 H112 Ag12 N28 O132 P4 W36 -","2","1","","Cui, Xiaobing; Lv, Ying; xiao, lina; hao, xiangrong; Xu, Ji-Qing","A series of organic-inorganic hybrid compounds formed by [P2W18O62]6- and several types of transition metal complexes","Dalton Trans.","2017","","","","","10.1039/C7DT02814H","","","0.71073","MoKα","","0.1047","0.0728","","","0.1681","0.1962","","","","","","1.073","","","","has coordinates","201332","2020-10-21","18:00:00",""
"7044336","17.41","0.0008","18.1484","0.0009","18.3892","0.0008","96.446","0.001","93.022","0.001","108.812","0.001","5440.7","0.4","296","2","296","2","","","","","","","","7","P -1","-P 1","2","","","","- C70 H60 Ag6 N14 O64 P2 W18 -","- C70 H56 Ag6 N14 O64 P2 W18 -","- C140 H112 Ag12 N28 O128 P4 W36 -","2","1","","Cui, Xiaobing; Lv, Ying; xiao, lina; hao, xiangrong; Xu, Ji-Qing","A series of organic-inorganic hybrid compounds formed by [P2W18O62]6- and several types of transition metal complexes","Dalton Trans.","2017","","","","","10.1039/C7DT02814H","","","0.71073","MoKα","","0.0697","0.0517","","","0.1303","0.1482","","","","","","1.015","","","","has coordinates","201332","2020-10-21","18:00:00",""
"7044337","7.16607","0.00009","7.16607","0.00009","7.16607","0.00009","90","","90","","90","","367.996","0.008","80","","80","","","","","","","","","3","P m -3 m","-P 4 2 3","221","","","","- B20 In Ni21 -","- B20 In Ni21 -","- B20 In Ni21 -","1","0.0208333","","Wagner, Frank R.; Zheng, Qiang; Gumeniuk, Roman; Bende, David; Prots, Yurii; Bobnar, Matej; Hu, Dong-Li; Burkhardt, Ulrich; Grin, Yuri; Leithe-Jasper, Andreas","Hierarchical and chemical space partitioning in new intermetallic borides MNi21B20 (M = In, Sn)","Dalton Trans.","2017","","","","","10.1039/C7DT02501G","powder diffraction","x-ray","0.40073","synchrotron","","","","","","","","","0.064","1.01","","","","","","","has coordinates","201333","2020-10-21","18:00:00",""
"7044338","7.1834","0.0001","7.1834","0.0001","7.1834","0.0001","90","","90","","90","","370.672","0.009","295","","295","","","","","","","","","3","P m -3 m","-P 4 2 3","221","","","","- B20 Ni21 Sn -","- B20 Ni21 Sn -","- B20 Ni21 Sn -","1","0.0208333","","Wagner, Frank R.; Zheng, Qiang; Gumeniuk, Roman; Bende, David; Prots, Yurii; Bobnar, Matej; Hu, Dong-Li; Burkhardt, Ulrich; Grin, Yuri; Leithe-Jasper, Andreas","Hierarchical and chemical space partitioning in new intermetallic borides MNi21B20 (M = In, Sn)","Dalton Trans.","2017","","","","","10.1039/C7DT02501G","","","0.71073","MoKα","","","0.063","","","","0.065","","","","","","0.96","","","","has coordinates","201333","2020-10-21","18:00:00",""
"7044339","7.17585","0.00002","7.17585","0.00002","7.17585","0.00002","90","","90","","90","","369.505","0.0018","100","","100","","","","","","","","","3","P m -3 m","-P 4 2 3","221","","","","- B20 Ni21 Sn -","- B20 Ni21 Sn -","- B20 Ni21 Sn -","1","0.0208333","","Wagner, Frank R.; Zheng, Qiang; Gumeniuk, Roman; Bende, David; Prots, Yurii; Bobnar, Matej; Hu, Dong-Li; Burkhardt, Ulrich; Grin, Yuri; Leithe-Jasper, Andreas","Hierarchical and chemical space partitioning in new intermetallic borides MNi21B20 (M = In, Sn)","Dalton Trans.","2017","","","","","10.1039/C7DT02501G","powder diffraction","x-ray","0.40073","synchrotron","","","","","","","","","0.057","1.01","","","","","","","has coordinates","201333","2020-10-21","18:00:00",""
"7044340","7.1834","0.0001","7.1834","0.0001","7.1834","0.0001","90","","90","","90","","370.672","0.009","293","","293","","","","","","","","","3","P m -3 m","-P 4 2 3","221","","","","- B20 Ni21 Sn -","- B20 Ni21 Sn -","- B20 Ni21 Sn -","1","0.0208333","","Wagner, Frank R.; Zheng, Qiang; Gumeniuk, Roman; Bende, David; Prots, Yurii; Bobnar, Matej; Hu, Dong-Li; Burkhardt, Ulrich; Grin, Yuri; Leithe-Jasper, Andreas","Hierarchical and chemical space partitioning in new intermetallic borides MNi21B20 (M = In, Sn)","Dalton Trans.","2017","","","","","10.1039/C7DT02501G","powder diffraction","x-ray","0.40073","synchrotron","","","","","","","","","0.053","1.01","","","","","","","has coordinates","201333","2020-10-21","18:00:00",""
"7044341","7.173","0.0001","7.173","0.0001","7.173","0.0001","90","","90","","90","","369.065","0.009","293","","293","","","","","","","","","3","P m -3 m","-P 4 2 3","221","","","","- B20 In Ni21 -","- B20 In Ni21 -","- B20 In Ni21 -","1","0.0208333","","Wagner, Frank R.; Zheng, Qiang; Gumeniuk, Roman; Bende, David; Prots, Yurii; Bobnar, Matej; Hu, Dong-Li; Burkhardt, Ulrich; Grin, Yuri; Leithe-Jasper, Andreas","Hierarchical and chemical space partitioning in new intermetallic borides MNi21B20 (M = In, Sn)","Dalton Trans.","2017","","","","","10.1039/C7DT02501G","powder diffraction","x-ray","0.40073","synchrotron","","","","","","","","","0.062","1.01","","","","","","","has coordinates","201333","2020-10-21","18:00:00",""
"7044342","11.1228","0.0002","13.2793","0.0002","33.7959","0.0006","90","","98.2505","0.0015","90","","4940.09","0.15","100","","100","","","","","","","","synthesised","7","P 1 21/c 1","-P 2ybc","14","","","","- C39 H45.9 Cl2 Cu I N6 O16.45 -","- C39 H45.9 Cl2 Cu I N6 O16.454 -","- C156 H183.6 Cl8 Cu4 I4 N24 O65.816 -","4","1","","Brown, Asha; Mennie, Katrina M.; Mason, Owen; White, Nicholas G.; Beer, Paul D.","Copper(ii)-directed synthesis of neutral heteroditopic [2]rotaxane ion-pair host systems incorporating hydrogen and halogen bonding anion binding cavities","Dalton Trans.","2017","","","","","10.1039/C7DT02832F","","","0.6889","Synchrotron","","0.0681","0.0553","","0.1288","0.1173","0.1288","","","","","","0.9746","","","","has coordinates,has disorder","201394","2020-10-21","18:00:00",""
"7044343","9.0433","0.0001","23.7126","0.0004","39.6408","0.0005","90","","90","","90","","8500.6","0.2","100","","100","","","","","","","","synthesised","6","P b c a","-P 2ac 2ab","61","","","","- C36.37 H46.56 Cl2 Cu N8.19 O12 -","- C36.37 H46.555 Cl2 Cu N8.185 O12 -","- C290.96 H372.44 Cl16 Cu8 N65.48 O96 -","8","1","","Brown, Asha; Mennie, Katrina M.; Mason, Owen; White, Nicholas G.; Beer, Paul D.","Copper(ii)-directed synthesis of neutral heteroditopic [2]rotaxane ion-pair host systems incorporating hydrogen and halogen bonding anion binding cavities","Dalton Trans.","2017","","","","","10.1039/C7DT02832F","","","0.6889","Synchrotron","","0.0939","0.0872","","0.2451","0.2401","0.2451","","","","","","0.9979","","","","has coordinates,has disorder","201394","2020-10-21","18:00:00",""
"7044344","14.4868","0.0001","16.0097","0.0002","21.0577","0.0002","89.3012","0.0005","89.6569","0.0005","83.8028","0.0005","4854.94","0.08","150","","150","","","","","","","","synthesised","6","P -1","-P 1","2","","","","- C86 H99 Cl4 Cu2 N17 O24 -","- C86 H99 Cl4 Cu2 N17 O24 -","- C172 H198 Cl8 Cu4 N34 O48 -","2","1","","Brown, Asha; Mennie, Katrina M.; Mason, Owen; White, Nicholas G.; Beer, Paul D.","Copper(ii)-directed synthesis of neutral heteroditopic [2]rotaxane ion-pair host systems incorporating hydrogen and halogen bonding anion binding cavities","Dalton Trans.","2017","","","","","10.1039/C7DT02832F","","","0.71073","MoKα","","0.0908","0.0695","","0.1901","0.1722","0.1901","","","","","","0.9502","","","","has coordinates,has disorder","201394","2020-10-21","18:00:00",""
"7044345","11.8265","0.0003","12.4818","0.0003","19.5954","0.0005","72.764","0.002","89.197","0.002","68.746","0.002","2560.57","0.12","100","","100","","","","","","","","synthesised","7","P -1","-P 1","2","","","","- C45 H59 Cl2 Cu I N8 O18 -","- C45 H59 Cl2 Cu I N8 O18 -","- C90 H118 Cl4 Cu2 I2 N16 O36 -","2","1","","Brown, Asha; Mennie, Katrina M.; Mason, Owen; White, Nicholas G.; Beer, Paul D.","Copper(ii)-directed synthesis of neutral heteroditopic [2]rotaxane ion-pair host systems incorporating hydrogen and halogen bonding anion binding cavities","Dalton Trans.","2017","","","","","10.1039/C7DT02832F","","","0.6889","Synchrotron","","0.0449","0.0416","","0.108","0.1041","0.108","","","","","","0.9513","","","","has coordinates,has disorder","201394","2020-10-21","18:00:00",""
"7044346","10.4215","0.0011","10.431","0.0013","24.812","0.003","90","","90","","90","","2697.2","0.5","150","2","150","2","","","","","","","","7","P 21 21 21","P 2ac 2ab","19","","","","- C26 H30 F3 N2 O5 P S -","- C26 H30 F3 N2 O5 P S -","- C104 H120 F12 N8 O20 P4 S4 -","4","1","","Mehta, Meera; Johnstone, Tim; Lam, Jolie; Bidraha, Bid; Hermannsdorfer, Andre; Driess, Matthias; Stephan, Douglas W.","Synthesis and Oxidation of Phosphine Cations†","Dalton Trans.","2017","","","","","10.1039/C7DT03175K","","","0.71073","MoKα","","0.0369","0.0297","","","0.0659","0.069","","","","","","1.03","","","","has coordinates","201395","2020-10-21","18:00:00",""
"7044347","15.5736","0.0004","17.498","0.0005","18.9275","0.0004","83.61","0.002","89.0867","0.0019","73.915","0.003","4924.6","0.2","150","2","150","2","","","","","","","","6","P -1","-P 1","2","","","","- C108.5 H65 B2 F47 N4 P -","- C108.495 H65.04 B2 F46.99 N4 P -","- C216.99 H130.08 B4 F93.98 N8 P2 -","2","1","","Mehta, Meera; Johnstone, Tim; Lam, Jolie; Bidraha, Bid; Hermannsdorfer, Andre; Driess, Matthias; Stephan, Douglas W.","Synthesis and Oxidation of Phosphine Cations†","Dalton Trans.","2017","","","","","10.1039/C7DT03175K","","","1.54184","CuKα","","0.0815","0.0699","","","0.1983","0.2143","","","","","","1.026","","","","has coordinates,has disorder","201395","2020-10-21","18:00:00",""
"7044348","22.377","0.004","10.6024","0.0018","18.089","0.003","90","","91.717","0.007","90","","4289.7","1.3","150","2","150.15","","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C39 H46 Ag Cl6 F2 N3 P -","- C39 H46 Ag Cl6 F2 N3 P -","- C156 H184 Ag4 Cl24 F8 N12 P4 -","4","1","","Mehta, Meera; Johnstone, Tim; Lam, Jolie; Bidraha, Bid; Hermannsdorfer, Andre; Driess, Matthias; Stephan, Douglas W.","Synthesis and Oxidation of Phosphine Cations†","Dalton Trans.","2017","","","","","10.1039/C7DT03175K","","","0.71073","MoKα","","0.0676","0.0503","","","0.1136","0.1201","","","","","","1.087","","","","has coordinates,has disorder","201395","2020-10-21","18:00:00",""
"7044349","20.2421","0.0007","25.5536","0.0009","31.5604","0.0011","90","","94.919","0.001","90","","16264.8","1","150","2","150","2","","","","","","","","7","C 1 2/c 1","-C 2yc","15","","","","- C74 H86 Ag3 Cl5 N6 O0 P2 -","- C74 H86 Ag3 Cl5 N6 P2 -","- C592 H688 Ag24 Cl40 N48 P16 -","8","1","","Mehta, Meera; Johnstone, Tim; Lam, Jolie; Bidraha, Bid; Hermannsdorfer, Andre; Driess, Matthias; Stephan, Douglas W.","Synthesis and Oxidation of Phosphine Cations†","Dalton Trans.","2017","","","","","10.1039/C7DT03175K","","","0.71073","MoKα","","0.056","0.0381","","","0.0895","0.0964","","","","","","1.019","","","","has coordinates,has disorder","201395","2020-10-21","18:00:00",""
"7044350","15.0503","0.0002","15.0503","0.0002","10.2997","0.0001","90","","90","","120","","2020.44","0.04","170","2","170","2","","","","","","","","6","R 3 :H","R 3","146","","","","- C21 H21 Co Dy N9 O12 -","- C21 H21 Co Dy N9 O12 -","- C63 H63 Co3 Dy3 N27 O36 -","3","0.333333","","Perlepes, Spyros P.; Polyzou, Christina D.; Koumousi, Evangelia S.; Lada, Zoi G.; Raptopoulou, Catherine P.; Psycharis, Vassilis; Rouzieres, Mathieu; Tsipis, Athanassios C.; Mathoniere, Corine; Clerac, Rodolphe","“Switching on” the single-molecule magnet properties within a series of dinuclear cobalt(III)-dysprosium(III) 2-pyridyloximate complexes","Dalton Trans.","2017","","","","","10.1039/C7DT02717F","","","1.54178","CuKα","","0.0374","0.0368","","","0.0713","0.0715","","","","","","0.983","","","","has coordinates","201490","2020-10-21","18:00:00",""
"7044351","11.2364","0.0002","11.2364","0.0002","55.6273","0.001","90","","90","","120","","6082.37","0.19","160","2","160","2","","","","","","","","6","R 3 c :H","R 3 -2""c","161","","","","- C36 H27 Co Dy N9 O12 -","- C36 H27 Co Dy N9 O12 -","- C216 H162 Co6 Dy6 N54 O72 -","6","0.333333","","Perlepes, Spyros P.; Polyzou, Christina D.; Koumousi, Evangelia S.; Lada, Zoi G.; Raptopoulou, Catherine P.; Psycharis, Vassilis; Rouzieres, Mathieu; Tsipis, Athanassios C.; Mathoniere, Corine; Clerac, Rodolphe","“Switching on” the single-molecule magnet properties within a series of dinuclear cobalt(III)-dysprosium(III) 2-pyridyloximate complexes","Dalton Trans.","2017","","","","","10.1039/C7DT02717F","","","1.54178","CuKα","","0.043","0.0423","","","0.1126","0.1145","","","","","","1.052","","","","has coordinates","201490","2020-10-21","18:00:00",""
"7044352","14.1257","0.0003","14.1257","0.0003","20.6905","0.0004","90","","90","","120","","3575.37","0.13","160","2","160","2","","","","","","","","6","R -3 :H","-R 3","148","","","","- C18 H15 Co Dy N9 O12 -","- C18 H15 Co Dy N9 O12 -","- C108 H90 Co6 Dy6 N54 O72 -","6","0.333333","","Perlepes, Spyros P.; Polyzou, Christina D.; Koumousi, Evangelia S.; Lada, Zoi G.; Raptopoulou, Catherine P.; Psycharis, Vassilis; Rouzieres, Mathieu; Tsipis, Athanassios C.; Mathoniere, Corine; Clerac, Rodolphe","“Switching on” the single-molecule magnet properties within a series of dinuclear cobalt(III)-dysprosium(III) 2-pyridyloximate complexes","Dalton Trans.","2017","","","","","10.1039/C7DT02717F","","","1.54178","CuKα","","0.0369","0.0348","","","0.0856","0.088","","","","","","1.05","","","","has coordinates","201490","2020-10-21","18:00:00",""
"7044353","16.5137","0.0001","16.5137","0.0001","20.9946","0.0005","90","","90","","120","","4958.23","0.13","160","2","160","2","","","","","","","","6","P -3 c 1","-P 3 2""c","165","","","","- C21 H30 Co Dy N12 O15 -","- C21 H30 Co Dy N12 O15 -","- C84 H120 Co4 Dy4 N48 O60 -","4","0.333333","","Perlepes, Spyros P.; Polyzou, Christina D.; Koumousi, Evangelia S.; Lada, Zoi G.; Raptopoulou, Catherine P.; Psycharis, Vassilis; Rouzieres, Mathieu; Tsipis, Athanassios C.; Mathoniere, Corine; Clerac, Rodolphe","“Switching on” the single-molecule magnet properties within a series of dinuclear cobalt(III)-dysprosium(III) 2-pyridyloximate complexes","Dalton Trans.","2017","","","","","10.1039/C7DT02717F","","","1.54178","CuKα","","0.0355","0.0309","","","0.0866","0.0891","","","","","","1.119","","","","has coordinates","201490","2020-10-21","18:00:00",""
"7044354","12.293","0.004","17.319","0.006","6.536","0.002","90","","90","","90","","1391.5","0.8","205","","205","","","","","","","","","4","F m m m","-F 2 2","69","","","","- H16 N10 O8 Zn -","- H16 N10 O8 Zn -","- H64 N40 O32 Zn4 -","4","0.125","","Xu, Yuangang; Wang, Pengcheng; Lin, Qiuhan; Lu, Ming","A Carbon-free Inorganic-metal Complex Consisting of All-nitrogen Pentazole Anion, Zn(II) Cation and H2O","Dalton Trans.","2017","","","","","10.1039/C7DT03231E","","","0.71073","MoKα","","0.0303","0.0302","","","0.0707","0.0707","","","","","","1.198","","","","has coordinates","201491","2020-10-21","18:00:00",""
"7044355","9.1064","0.0003","12.5806","0.0004","26.4577","0.0009","90","","90","","90","","3031.1","0.17","103","2","103","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C30 H38 Cl2 N4 O2 Th -","- C30 H38 Cl2 N4 O2 Th -","- C120 H152 Cl8 N16 O8 Th4 -","4","1","","Hohloch, Stephan; Garner, Mary E.; Parker, Bernard F.; Arnold, John","New supporting ligands in actinide chemistry: tetramethyltetraazaannulene complexes with thorium and uranium","Dalton Trans.","2017","","","","","10.1039/C7DT02682J","","","0.71073","MoKα","","0.0203","0.0198","","","0.0473","0.0476","","","","","","1.08","","","","has coordinates","201541","2020-10-21","18:00:00",""
"7044356","11.9519","0.0005","16.7752","0.0007","11.8899","0.0005","90","","117.261","0.002","90","","2119.09","0.16","100","2","100","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C44 H44 Cl4 N8 U2 -","- C44 H44 Cl4 N8 U2 -","- C88 H88 Cl8 N16 U4 -","2","0.5","","Hohloch, Stephan; Garner, Mary E.; Parker, Bernard F.; Arnold, John","New supporting ligands in actinide chemistry: tetramethyltetraazaannulene complexes with thorium and uranium","Dalton Trans.","2017","","","","","10.1039/C7DT02682J","","","0.71073","MoKα","","0.0292","0.0218","","","0.0494","0.0519","","","","","","1.062","","","","has coordinates","201541","2020-10-21","18:00:00",""
"7044357","11.2024","0.0008","17.7114","0.0012","20.8161","0.0015","90","","102.734","0.002","90","","4028.5","0.5","100","2","100","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C46 H56 N4 O2 U -","- C46 H56 N4 O2 U -","- C184 H224 N16 O8 U4 -","4","1","","Hohloch, Stephan; Garner, Mary E.; Parker, Bernard F.; Arnold, John","New supporting ligands in actinide chemistry: tetramethyltetraazaannulene complexes with thorium and uranium","Dalton Trans.","2017","","","","","10.1039/C7DT02682J","","","0.71073","MoKα","","0.0628","0.0405","","","0.087","0.0964","","","","","","1.054","","","","has coordinates","201541","2020-10-21","18:00:00",""
"7044358","13.7325","0.0006","14.3766","0.0006","17.8153","0.0009","90","","98.805","0.002","90","","3475.8","0.3","100","2","100","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C32 H37 I N4 U -","- C32 H37 I N4 U -","- C128 H148 I4 N16 U4 -","4","1","","Hohloch, Stephan; Garner, Mary E.; Parker, Bernard F.; Arnold, John","New supporting ligands in actinide chemistry: tetramethyltetraazaannulene complexes with thorium and uranium","Dalton Trans.","2017","","","","","10.1039/C7DT02682J","","","0.71073","MoKα","","0.0914","0.0635","","","0.1415","0.1542","","","","","","1.02","","","","has coordinates","201541","2020-10-21","18:00:00",""
"7044359","10.4328","0.0005","11.7779","0.0006","14.0722","0.0007","112.907","0.002","90.535","0.003","92.754","0.002","1590.2","0.14","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","","","- C32 H37 Cl N4 Th -","- C32 H37 Cl N4 Th -","- C64 H74 Cl2 N8 Th2 -","2","1","","Hohloch, Stephan; Garner, Mary E.; Parker, Bernard F.; Arnold, John","New supporting ligands in actinide chemistry: tetramethyltetraazaannulene complexes with thorium and uranium","Dalton Trans.","2017","","","","","10.1039/C7DT02682J","","","0.71073","MoKα","","0.0252","0.023","","","0.0432","0.0437","","","","","","1.086","","","","has coordinates","201541","2020-10-21","18:00:00",""
"7044360","11.203","0.003","17.832","0.004","20.941","0.005","90","","101.962","0.005","90","","4092.6","1.7","101","2","101","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C46 H56 N4 O2 Th -","- C46 H56 N4 O2 Th -","- C184 H224 N16 O8 Th4 -","4","1","","Hohloch, Stephan; Garner, Mary E.; Parker, Bernard F.; Arnold, John","New supporting ligands in actinide chemistry: tetramethyltetraazaannulene complexes with thorium and uranium","Dalton Trans.","2017","","","","","10.1039/C7DT02682J","","","0.71073","MoKα","","0.044","0.032","","","0.0701","0.0744","","","","","","1.067","","","","has coordinates","201541","2020-10-21","18:00:00",""
"7044361","10.3213","0.0019","11.792","0.002","14.111","0.002","113.173","0.007","90.878","0.008","92.274","0.009","1576.7","0.5","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","","","- C32 H37 Cl N4 U -","- C32 H37 Cl N4 U -","- C64 H74 Cl2 N8 U2 -","2","1","","Hohloch, Stephan; Garner, Mary E.; Parker, Bernard F.; Arnold, John","New supporting ligands in actinide chemistry: tetramethyltetraazaannulene complexes with thorium and uranium","Dalton Trans.","2017","","","","","10.1039/C7DT02682J","","","0.71073","MoKα","","0.0198","0.0184","","","0.0398","0.0403","","","","","","1.062","","","","has coordinates","201541","2020-10-21","18:00:00",""
"7044362","10.4299","0.0003","11.9194","0.0004","15.961","0.0005","111.716","0.002","96.787","0.002","94.947","0.002","1812.25","0.1","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","","","- C36 H48 N4 Si Th -","- C36 H48 N4 Si Th -","- C72 H96 N8 Si2 Th2 -","2","1","","Hohloch, Stephan; Garner, Mary E.; Parker, Bernard F.; Arnold, John","New supporting ligands in actinide chemistry: tetramethyltetraazaannulene complexes with thorium and uranium","Dalton Trans.","2017","","","","","10.1039/C7DT02682J","","","0.71073","MoKα","","0.0391","0.0327","","","0.0647","0.0661","","","","","","1.093","","","","has coordinates","201541","2020-10-21","18:00:00",""
"7044363","10.3468","0.0007","11.7713","0.0009","15.4024","0.0011","74.43","0.003","81.235","0.003","87.926","0.003","1786","0.2","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","","","- C39 H55 N4 Si U -","- C39 H55 N4 Si U -","- C78 H110 N8 Si2 U2 -","2","1","","Hohloch, Stephan; Garner, Mary E.; Parker, Bernard F.; Arnold, John","New supporting ligands in actinide chemistry: tetramethyltetraazaannulene complexes with thorium and uranium","Dalton Trans.","2017","","","","","10.1039/C7DT02682J","","","0.71073","MoKα","","0.0886","0.0663","","","0.1605","0.1732","","","","","","1.014","","","","has coordinates","201541","2020-10-21","18:00:00",""
"7044364","14.5644","0.0006","25.043","0.0011","20.6741","0.0008","90","","96.878","0.002","90","","7486.3","0.5","100","2","100","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C80 H98 Cl2 N8 O2 Th2 -","- C80 H98 Cl2 N8 O2 Th2 -","- C320 H392 Cl8 N32 O8 Th8 -","4","1","","Hohloch, Stephan; Garner, Mary E.; Parker, Bernard F.; Arnold, John","New supporting ligands in actinide chemistry: tetramethyltetraazaannulene complexes with thorium and uranium","Dalton Trans.","2017","","","","","10.1039/C7DT02682J","","","0.71073","MoKα","","0.0472","0.037","","","0.0783","0.0838","","","","","","1.034","","","","has coordinates","201541","2020-10-21","18:00:00",""
"7044365","20.755","0.002","34.796","0.004","19.435","0.003","90","","119.07","0.002","90","","12268","3","100","2","100","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C30 H42 K2 N4 O4 -","- C30 H42 K2 N4 O4 -","- C480 H672 K32 N64 O64 -","16","2","","Hohloch, Stephan; Garner, Mary E.; Parker, Bernard F.; Arnold, John","New supporting ligands in actinide chemistry: tetramethyltetraazaannulene complexes with thorium and uranium","Dalton Trans.","2017","","","","","10.1039/C7DT02682J","","","0.71073","MoKα","","0.0987","0.0563","","","0.1257","0.1485","","","","","","1.016","","","","has coordinates","201541","2020-10-21","18:00:00",""
"7044366","20.9913","0.0012","10.6874","0.0006","23.2926","0.0013","90","","115.619","0.002","90","","4711.8","0.5","100","2","100","2","","","","","","","","5","P 1 21/m 1","-P 2yb","11","","","","- C22 H22 I2 N4 U -","- C22 H22 I2 N4 U -","- C176 H176 I16 N32 U8 -","8","2","","Hohloch, Stephan; Garner, Mary E.; Parker, Bernard F.; Arnold, John","New supporting ligands in actinide chemistry: tetramethyltetraazaannulene complexes with thorium and uranium","Dalton Trans.","2017","","","","","10.1039/C7DT02682J","","","0.71073","MoKα","","0.0671","0.0652","","","0.1742","0.1755","","","","","","1.155","","","","has coordinates","201541","2020-10-21","18:00:00",""
"7044367","36.288","0.002","30.351","0.002","18.6689","0.0012","90","","110.535","0.002","90","","19255","2","173.15","","173.15","","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C212 H224 Ag8 N2 O17 P8 -","- C212 H224 Ag8 N2 O17 P8 -","- C848 H896 Ag32 N8 O68 P32 -","4","0.5","","Hau, Sam Chunkit; Mak, Thomas C. W.","Assembly of high-symmetry silver(I) alkyl-1,3-diynyl cluster complexes via core transformation","Dalton Trans.","2017","","","","","10.1039/C7DT03406G","","x-ray","0.71073","MoKα","","0.0625","0.0493","","","0.1286","0.1433","","","","","","1.059","","","","has coordinates,has disorder","201542","2020-10-21","18:00:00",""
"7044368","35.354","0.004","30.585","0.003","18.7881","0.0019","90","","111.84","0.002","90","","18857","3","173","2","173.15","","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C187 H153 Ag8 N2 O8 P8 -","- C186 H148 Ag8 N2 O8 P8 -","- C744 H592 Ag32 N8 O32 P32 -","4","0.5","","Hau, Sam Chunkit; Mak, Thomas C. W.","Assembly of high-symmetry silver(I) alkyl-1,3-diynyl cluster complexes via core transformation","Dalton Trans.","2017","","","","","10.1039/C7DT03406G","","","0.71073","MoKα","","0.0732","0.0525","","","0.1363","0.1595","","","","","","1.097","","","","has coordinates","201542","2020-10-21","18:00:00",""
"7044369","16.3046","0.0011","34.222","0.002","17.6558","0.0011","90","","102.069","0.001","90","","9633.8","1","173","2","173.15","","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C230 H169 Ag8 N3 P8 -","- C230 H169 Ag8 N3 P8 -","- C460 H338 Ag16 N6 P16 -","2","0.5","","Hau, Sam Chunkit; Mak, Thomas C. W.","Assembly of high-symmetry silver(I) alkyl-1,3-diynyl cluster complexes via core transformation","Dalton Trans.","2017","","","","","10.1039/C7DT03406G","","","0.71073","MoKα","","0.0711","0.0536","","","0.1347","0.1493","","","","","","1.128","","","","has coordinates","201542","2020-10-21","18:00:00",""
"7044370","36.107","0.003","30.577","0.003","18.5765","0.0016","90","","109.178","0.002","90","","19371","3","173","2","173.15","","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C214 H210 Ag8 Cl6 O10 P8 -","- C214 H210 Ag8 Cl6 O10 P8 -","- C856 H840 Ag32 Cl24 O40 P32 -","4","0.5","","Hau, Sam Chunkit; Mak, Thomas C. W.","Assembly of high-symmetry silver(I) alkyl-1,3-diynyl cluster complexes via core transformation","Dalton Trans.","2017","","","","","10.1039/C7DT03406G","","","0.71073","MoKα","","0.0677","0.0539","","","0.1414","0.1638","","","","","","1.132","","","","has coordinates","201542","2020-10-21","18:00:00",""
"7044371","16.805","0.0019","21.229","0.003","16.9004","0.0019","90","","101.531","0.002","90","","5907.6","1.3","173","2","173.15","","","","","","","","","5","P 1 2/n 1","-P 2yac","13","","","","- C121 H107 Ag4 O9 P4 -","- C120 H104 Ag4 O10 P4 -","- C240 H208 Ag8 O20 P8 -","2","0.5","","Hau, Sam Chunkit; Mak, Thomas C. W.","Assembly of high-symmetry silver(I) alkyl-1,3-diynyl cluster complexes via core transformation","Dalton Trans.","2017","","","","","10.1039/C7DT03406G","","","0.71073","MoKα","","0.0913","0.0649","","","0.1763","0.2065","","","","","","1.056","","","","has coordinates,has disorder","201542","2020-10-21","18:00:00",""
"7044372","8.4203","0.0004","19.0185","0.0011","9.2913","0.0005","90","","109.344","0.002","90","","1403.92","0.13","100","2","100","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C12 H16 Cl I N2 Pt -","- C12 H16 Cl I N2 Pt -","- C48 H64 Cl4 I4 N8 Pt4 -","4","1","","Bauer, Emma; Domingo, Xavier; Balcells, Cristina; Polat, Ibrahim; Crespo, Margarita; Quirante, Josefina; Badia, Josefa; Baldomà, Laura; Font-Bardia, Merce; Cascante, Marta","Synthesis, characterisation and biological activity of new cyclometallated platinum(IV) iodido complexes","Dalton Trans.","2017","","","","","10.1039/C7DT03448B","","","0.71073","MoKα","","0.0256","0.0191","","","0.0372","0.039","","","","","","1.125","","","","has coordinates","201543","2020-10-21","18:00:00",""
"7044373","8.5459","0.0004","14.1617","0.0007","14.8385","0.0007","80.425","0.002","76.333","0.002","86.586","0.002","1720.28","0.14","100","2","100","2","","","","","","","","6","P -1","-P 1","2","","","","- C13 H19 Cl I2 N2 Pt -","- C13 H19 Cl I2 N2 Pt -","- C52 H76 Cl4 I8 N8 Pt4 -","4","2","","Bauer, Emma; Domingo, Xavier; Balcells, Cristina; Polat, Ibrahim; Crespo, Margarita; Quirante, Josefina; Badia, Josefa; Baldomà, Laura; Font-Bardia, Merce; Cascante, Marta","Synthesis, characterisation and biological activity of new cyclometallated platinum(IV) iodido complexes","Dalton Trans.","2017","","","","","10.1039/C7DT03448B","","","0.71073","MoKα","","0.0204","0.017","","","0.0345","0.0353","","","","","","1.13","","","","has coordinates","201543","2020-10-21","18:00:00",""
"7044374","16.6399","0.0007","7.3056","0.0003","14.1494","0.0006","90","","90","","90","","1720.06","0.12","293","2","293","2","","","","","","","","6","P n a 21","P 2c -2n","33","","","","- C12 H16 Cl2 I2 N2 Pt -","- C12 H16 Cl2 I2 N2 Pt -","- C48 H64 Cl8 I8 N8 Pt4 -","4","1","","Bauer, Emma; Domingo, Xavier; Balcells, Cristina; Polat, Ibrahim; Crespo, Margarita; Quirante, Josefina; Badia, Josefa; Baldomà, Laura; Font-Bardia, Merce; Cascante, Marta","Synthesis, characterisation and biological activity of new cyclometallated platinum(IV) iodido complexes","Dalton Trans.","2017","","","","","10.1039/C7DT03448B","","","0.71073","MoKα","","0.0224","0.0217","","","0.0554","0.0556","","","","","","1.124","","","","has coordinates","201543","2020-10-21","18:00:00",""
"7044375","12.3352","0.0007","17.8423","0.0011","13.2015","0.0008","90","","102.459","0.001","90","","2837.1","0.3","100","2","100","2","","","","","","","","8","P 1 21/n 1","-P 2yn","14","","","","- C30 H25 Cl3 N O2 P Ru S -","- C30 H25 Cl3 N O2 P Ru S -","- C120 H100 Cl12 N4 O8 P4 Ru4 S4 -","4","1","","Luo, Qi; Dai, Zengjin; Cong, Hengjiang; Li, Renjie; Peng, Tianyou; Zhang, Jing","Oxidant-free Synthesis of Benzimidazoles from Alcohols and Aromatic Diamines Catalysed by New Ru(II)-PNS(O) Pincer Complexes","Dalton Trans.","2017","","","","","10.1039/C7DT02584J","","","0.71073","MoKα","","0.0365","0.0271","","","0.0623","0.0658","","","","","","1.038","","","","has coordinates","201544","2020-10-21","18:00:00",""
"7044376","11.4078","0.0006","14.034","0.0008","16.4595","0.0009","73.18","0.001","71.447","0.001","66.832","0.001","2255.6","0.2","100","2","100","2","","","","","","","","9","P -1","-P 1","2","","","","- C48 H43 Cl2 F6 N3 O P2 Ru S -","- C48 H43 Cl2 F6 N3 O P2 Ru S -","- C96 H86 Cl4 F12 N6 O2 P4 Ru2 S2 -","2","1","","Luo, Qi; Dai, Zengjin; Cong, Hengjiang; Li, Renjie; Peng, Tianyou; Zhang, Jing","Oxidant-free Synthesis of Benzimidazoles from Alcohols and Aromatic Diamines Catalysed by New Ru(II)-PNS(O) Pincer Complexes","Dalton Trans.","2017","","","","","10.1039/C7DT02584J","","","0.71073","MoKα","","0.0493","0.0385","","","0.0993","0.1054","","","","","","1.039","","","","has coordinates","201544","2020-10-21","18:00:00",""
"7044377","12.8682","0.0016","16.3946","0.0019","13.6191","0.0016","90","","93.143","0.003","90","","2868.9","0.6","100","2","100","2","","","","","","","","8","P 1 21/n 1","-P 2yn","14","","","","- C30 H25 Cl3 N O2 P Ru S -","- C30 H25 Cl3 N O2 P Ru S -","- C120 H100 Cl12 N4 O8 P4 Ru4 S4 -","4","1","","Luo, Qi; Dai, Zengjin; Cong, Hengjiang; Li, Renjie; Peng, Tianyou; Zhang, Jing","Oxidant-free Synthesis of Benzimidazoles from Alcohols and Aromatic Diamines Catalysed by New Ru(II)-PNS(O) Pincer Complexes","Dalton Trans.","2017","","","","","10.1039/C7DT02584J","","","0.71073","MoKα","","0.0485","0.0316","","","0.0696","0.0763","","","","","","1.015","","","","has coordinates","201544","2020-10-21","18:00:00",""
"7044378","13.2725","0.0004","32.2079","0.001","8.3689","0.0004","90","","103.62","0.002","90","","3476.9","0.2","173","2","173","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C37 H45 N3 O10 -","- C37 H45 N3 O10 -","- C148 H180 N12 O40 -","4","1","","Godde, Berangere; Jouaiti, Abdelaziz; Fluck, Audrey; Kyritsakas, Nathalie; Mauro, Matteo; Hosseini, Mir Wais","Symmetrical or non-symmetrical luminescent turnstiles based on hydroquinone stators and rotors bearing pyridyl or p-dimethyaminopyridyl coordinating units","Dalton Trans.","2017","","","","","10.1039/C7DT02762A","","","0.71073","MoKα","","0.1169","0.0922","","","0.2387","0.2573","","","","","","1.08","","","","has coordinates","201545","2020-10-21","18:00:00",""
"7044379","12.0982","0.0002","15.7006","0.0003","24.9514","0.0006","90","","102.271","0.002","90","","4631.21","0.17","150","0.2","150","0.2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C48 H70 Li2 O3 P2 -","- C48 H70 Li2 O3 P2 -","- C192 H280 Li8 O12 P8 -","4","1","","Izod, Keith; Evans, Peter; Waddell, Paul G.","Desolvation and aggregation of sterically demanding alkali metal diarylphosphides","Dalton Trans.","2017","","","","","10.1039/C7DT02238G","","x-ray","1.54184","CuKα","","0.0677","0.0442","","","0.1014","0.1141","","","","","","1.01","","","","has coordinates,has disorder","201546","2020-10-21","18:00:00",""
"7044380","12.6711","0.0001","12.6711","0.0001","42.8676","0.0005","90","","90","","90","","6882.68","0.11","150","0.2","150","0.2","","","","","","","","5","P 43 21 2","P 4nw 2abw","96","","","","- C33 H57 N3 Na P -","- C33 H57 N3 Na P -","- C264 H456 N24 Na8 P8 -","8","1","","Izod, Keith; Evans, Peter; Waddell, Paul G.","Desolvation and aggregation of sterically demanding alkali metal diarylphosphides","Dalton Trans.","2017","","","","","10.1039/C7DT02238G","","x-ray","1.54184","CuKα","","0.0452","0.0394","","","0.099","0.1035","","","","","","1.016","","","","has coordinates,has disorder","201546","2020-10-21","18:00:00",""
"7044381","9.5265","0.0004","9.5469","0.0005","19.434","0.001","82.213","0.004","89.691","0.004","65.484","0.005","1590.78","0.15","150","0.2","150","0.2","","","","","","","","5","P -1","-P 1","2","","","","- C33 H52 Li O3 P -","- C33 H52 Li O3 P -","- C66 H104 Li2 O6 P2 -","2","1","","Izod, Keith; Evans, Peter; Waddell, Paul G.","Desolvation and aggregation of sterically demanding alkali metal diarylphosphides","Dalton Trans.","2017","","","","","10.1039/C7DT02238G","","x-ray","1.54184","CuKα","","0.0669","0.0483","","","0.1166","0.1306","","","","","","1.021","","","","has coordinates","201546","2020-10-21","18:00:00",""
"7044382","7.75472","0.00008","19.0684","0.0002","14.79343","0.00017","90","","90.1101","0.001","90","","2187.5","0.04","150","0.2","150","0.2","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","","","- C24 H35 P -","- C24 H35 P -","- C96 H140 P4 -","4","1","","Izod, Keith; Evans, Peter; Waddell, Paul G.","Desolvation and aggregation of sterically demanding alkali metal diarylphosphides","Dalton Trans.","2017","","","","","10.1039/C7DT02238G","","","1.54184","CuKα","","0.0378","0.0337","","","0.0833","0.0866","","","","","","1.036","","","","has coordinates,has disorder","201546","2020-10-21","18:00:00",""
"7044383","16.7963","0.0005","14.4308","0.0003","16.6968","0.0005","90","","91.061","0.003","90","","4046.34","0.19","150","0.2","150","0.2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C40 H66 K O4 P -","- C40 H66 K O4 P -","- C160 H264 K4 O16 P4 -","4","1","","Izod, Keith; Evans, Peter; Waddell, Paul G.","Desolvation and aggregation of sterically demanding alkali metal diarylphosphides","Dalton Trans.","2017","","","","","10.1039/C7DT02238G","","x-ray","1.54184","CuKα","","0.0951","0.0847","","","0.1995","0.2058","","","","","","1.052","","","","has coordinates,has disorder","201546","2020-10-21","18:00:00",""
"7044384","9.0626","0.0003","17.2694","0.0007","19.2321","0.0006","90","","102.935","0.004","90","","2933.55","0.18","150","0.2","150","0.2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C30 H46 Li O3 P -","- C30 H46 Li O3 P -","- C120 H184 Li4 O12 P4 -","4","1","","Izod, Keith; Evans, Peter; Waddell, Paul G.","Desolvation and aggregation of sterically demanding alkali metal diarylphosphides","Dalton Trans.","2017","","","","","10.1039/C7DT02238G","","x-ray","0.71073","MoKα","","0.0944","0.0533","","","0.1262","0.1489","","","","","","1.032","","","","has coordinates,has disorder","201546","2020-10-21","18:00:00",""
"7044385","18.7669","0.0006","16.8927","0.0005","19.9516","0.0006","90","","90","","90","","6325.1","0.3","150","0.2","150","0.2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C64 H100 Na2 O4 P2 -","- C64 H100 Na2 O4 P2 -","- C256 H400 Na8 O16 P8 -","4","0.5","","Izod, Keith; Evans, Peter; Waddell, Paul G.","Desolvation and aggregation of sterically demanding alkali metal diarylphosphides","Dalton Trans.","2017","","","","","10.1039/C7DT02238G","","x-ray","0.71073","MoKα","","0.0847","0.0499","","","0.1095","0.1268","","","","","","1.026","","","","has coordinates,has disorder","201546","2020-10-21","18:00:00",""
"7044386","11.32606","0.00019","17.4145","0.0005","19.3933","0.0005","68.346","0.003","80.5527","0.0018","89.5652","0.0018","3501.07","0.17","150","0.2","150","0.2","","","","","","","","5","P -1","-P 1","2","","","","- C72.02 H116.62 Li2 O6.01 P2 -","- C72.0212 H116.625 Li2 O6.0053 P2 -","- C144.042 H233.25 Li4 O12.0106 P4 -","2","1","","Izod, Keith; Evans, Peter; Waddell, Paul G.","Desolvation and aggregation of sterically demanding alkali metal diarylphosphides","Dalton Trans.","2017","","","","","10.1039/C7DT02238G","","","1.54184","CuKα","","0.0534","0.039","","","0.097","0.1047","","","","","","1.034","","","","has coordinates,has disorder","201546","2020-10-21","18:00:00",""
"7044387","15.1951","0.0011","15.1951","0.0011","23.091","0.002","90","","90","","120","","4617.2","0.6","296","2","296","2","","","","","","","","5","P 63/m","-P 6c","176","","InOF-15","","- C10.5 H6.5 In0.5 N O2.67 -","- C10.5 H6.5 In0.5 N O2.66667 -","- C126 H78 In6 N12 O32 -","12","1","","Qian, Jinjie; Li, Qipeng; Liang, Linfeng; Li, Ting-Ting; Hu, Yue; Huang, Shaoming","A microporous MOF with open metal sites and Lewis basic sites for selective CO2 capture","Dalton Trans.","2017","","","","","10.1039/C7DT03255B","","","0.71073","MoKα","","0.0518","0.0402","","","0.1277","0.133","","","","","","1.079","","","","has coordinates","201574","2020-10-21","18:00:00",""
"7044388","11.0271","0.0007","11.3724","0.0008","15.8214","0.001","83.59","0.001","79.727","0.001","71.768","0.001","1850.9","0.2","296","2","296.15","","","","","","","","","6","P -1","-P 1","2","","","","- C37.04 H21 F11.98 Ir N4 O2 -","- C37 H21 F12 Ir N4 O2 -","- C74 H42 F24 Ir2 N8 O4 -","2","1","","Han, Hua-Bo; Cui, Rongzhen; Lu, Guang-Zhao; Wu, Zheng-Guang; Zheng, Youxuan; Zhou, Liang; Zhang, Hongjie","Efficient orange-red electroluminescence of iridium complexes with 1-(2,6-bis(trifluoromethyl)pyridin-4-yl)isoquinoline and 4-(2,6-bis(trifluoromethyl)pyridin-4-yl)quinazoline ligands","Dalton Trans.","2017","","","","","10.1039/C7DT03310A","","","0.71073","MoKα","","0.0561","0.0411","","","0.1035","0.1112","","","","","","0.99","","","","has coordinates,has disorder","201575","2020-10-21","18:00:00",""
"7044389","13.0665","0.0006","13.0665","0.0006","6.304","0.0005","90","","90","","90","","1076.3","0.11","293","2","293","2","","","","","","","","4","P -4 21 c","P -4 2n","114","","","","- Ba4 Ga4 S12 Sn -","- Ba4 Ga4.01 S12 Sn0.98 -","- Ba8 Ga8.02 S24 Sn1.96 -","2","0.25","","Duan, Rui-Huan Huan; Liu, Peng-Fei; Lin, Hua; Huang-Fu, Shang-Xiong; Wu, Li-Ming","Syntheses and characterization of three new sulfides with large band gaps: acentric Ba4Ga4SnS12, centric Ba12Sn4S23 and Ba7Sn3S13","Dalton Trans.","2017","","","","","10.1039/C7DT03267F","","","0.71073","MoKα","","0.0186","0.0179","","","0.0426","0.0437","","","","","","0.33","","","","has coordinates,has disorder","201576","2020-10-21","18:00:00",""
"7044390","12.386","0.005","24.173","0.011","8.872","0.004","90","","90","","90","","2656","2","293","2","293","2","","","","","","","","3","P n m a","-P 2ac 2n","62","","","","- Ba7 S13 Sn3 -","- Ba6.96 S13 Sn3 -","- Ba27.84 S52 Sn12 -","4","0.5","","Duan, Rui-Huan Huan; Liu, Peng-Fei; Lin, Hua; Huang-Fu, Shang-Xiong; Wu, Li-Ming","Syntheses and characterization of three new sulfides with large band gaps: acentric Ba4Ga4SnS12, centric Ba12Sn4S23 and Ba7Sn3S13","Dalton Trans.","2017","","","","","10.1039/C7DT03267F","","","0.71073","MoKα","","0.0578","0.0459","","","0.097","0.1377","","","","","","1.082","","","","has coordinates","201576","2020-10-21","18:00:00",""
"7044391","13.406","0.005","12.423","0.006","26.849","0.01","90","","95.82","0.003","90","","4448","3","293","2","293","2","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","","","- Ba12 S23 Sn4 -","- Ba11.98 S23 Sn4 -","- Ba47.92 S92 Sn16 -","4","1","","Duan, Rui-Huan Huan; Liu, Peng-Fei; Lin, Hua; Huang-Fu, Shang-Xiong; Wu, Li-Ming","Syntheses and characterization of three new sulfides with large band gaps: acentric Ba4Ga4SnS12, centric Ba12Sn4S23 and Ba7Sn3S13","Dalton Trans.","2017","","","","","10.1039/C7DT03267F","","","0.71073","MoKα","","0.0487","0.0385","","","0.0767","0.1036","","","","","","0.964","","","","has coordinates","201576","2020-10-21","18:00:00",""
"7044392","9.8366","0.0014","9.8366","0.0014","5.1124","0.0007","90","","90","","90","","494.67","0.12","100","2","100","2","","","","","","","","3","P 42/m n m","-P 4n 2n","136","Sigma Phase","Nb20Ir4Ga6","","- Ga1.5 Ir Nb5 -","- Ga1.5 Ir Nb5 -","- Ga6 Ir4 Nb20 -","4","0.25","","Carnicom, Elizabeth M.; Xie, Weiwei; Klimczuk, Tomasz; Cava, Robert J.","New σ-Phases in the Nb-X-Ga and Nb-X-Al Systems (X = Ru, Rh, Pd, Ir, Pt, and Au)","Dalton Trans.","2017","","","","","10.1039/C7DT02955A","","","0.71073","MoKα","","0.0723","0.0367","","","0.0423","0.0465","","","","","","1.083","","","","has coordinates","201577","2020-10-21","18:00:00",""
"7044393","9.8508","0.001","9.8508","0.001","5.1201","0.0005","90","","90","","90","","496.85","0.09","101","2","101","2","","","","","","","","3","P 42/m n m","-P 4n 2n","136","Sigma Phase","Nb20Ru5Ga5","","- Ga1.25 Nb5 Ru1.25 -","- Ga1.25 Nb5 Ru1.25 -","- Ga5 Nb20 Ru5 -","4","0.25","","Carnicom, Elizabeth M.; Xie, Weiwei; Klimczuk, Tomasz; Cava, Robert J.","New σ-Phases in the Nb-X-Ga and Nb-X-Al Systems (X = Ru, Rh, Pd, Ir, Pt, and Au)","Dalton Trans.","2017","","","","","10.1039/C7DT02955A","","","0.71073","MoKα","","0.046","0.0288","","","0.0442","0.0476","","","","","","1.189","","","","has coordinates","201577","2020-10-21","18:00:00",""
"7044394","13.5628","0.0009","15.831","0.001","24.5816","0.0016","93.41","0.001","95.78","0.002","104.908","0.001","5054.3","0.6","120","2","120","2","","","","","","","","6","P -1","-P 1","2","","","","- C102 H106 N12 O20 S Zn2 -","- C90.3 H78.3 N8.1 O16.1 S Zn2 -","- C180.6 H156.6 N16.2 O32.2 S2 Zn4 -","2","1","","Guo, Mingming; Liu, Siyu; Guo, Huadong; Sun, Yingying; Guo, Xianmin; Deng, Ruiping","The mixed-ligand strategy to assemble a microporous anionic metal-organic framework: Ln3+ post-functionalization, sensors and selective adsorption of dyes","Dalton Trans.","2017","","","","","10.1039/C7DT02506H","","","0.71073","MoKα","","0.1038","0.0687","","","0.1901","0.2095","","","","","","1.033","","","","has coordinates,has disorder","201578","2020-10-21","18:00:00",""
"7044395","9.802","0.0001","10.3207","0.0001","15.5967","0.0002","94.002","0.003","94.287","0.004","91.342","0.004","1568.92","0.03","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","","","- C30 H32 Cd N12 O2 -","- C30 H32 Cd N12 O2 -","- C60 H64 Cd2 N24 O4 -","2","1","","Akbari Afkhami, Farhad; Mahmoudi, Ghodrat; Gurbanov, Atash V.; Zubkov, Fedor Ivanovich; Qu, Fengrui; Gupta, Arunava; Safin, Damir","Solvent-driven azide-induced mononuclear discrete versus one-dimensional polymeric aromatic möbius cadmium(II) complexes of N4 helical ligand","Dalton Trans.","2017","","","","","10.1039/C7DT02952G","","","1.54184","CuKα","","0.0271","0.027","","","0.0654","0.0654","","","","","","1.119","","","","has coordinates","201579","2020-10-21","18:00:00",""
"7044396","8.9122","0.0003","14.7168","0.0005","15.173","0.0005","111.392","0.001","92.184","0.001","94.028","0.001","1844.04","0.11","223","2","223","2","","","","","","","","4","P -1","-P 1","2","FA10","","","- C28 H24 Cd3 N24 -","- C28 H24 Cd3 N24 -","- C56 H48 Cd6 N48 -","2","1","","Akbari Afkhami, Farhad; Mahmoudi, Ghodrat; Gurbanov, Atash V.; Zubkov, Fedor Ivanovich; Qu, Fengrui; Gupta, Arunava; Safin, Damir","Solvent-driven azide-induced mononuclear discrete versus one-dimensional polymeric aromatic möbius cadmium(II) complexes of N4 helical ligand","Dalton Trans.","2017","","","","","10.1039/C7DT02952G","","","0.71073","MoKα","","0.0204","0.0182","","","0.0444","0.0455","","","","","","1.049","","","","has coordinates","201579","2020-10-21","18:00:00",""
"7044397","9.2296","0.0008","16.2475","0.0015","16.8968","0.0015","90","","91.1","0.005","90","","2533.3","0.4","102","2","102","2","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","[Ni(H2dedpam)](PF6)2?H2O","","- C16 H22 F12 N6 Ni O3 P2 -","- C16 H20 F12 N6 Ni O3 P2 -","- C64 H80 F48 N24 Ni4 O12 P8 -","4","1","","Caneda-Martínez, Laura; Laura, Valencia; Fernandez-Perez, Isabel; Regueiro-Figueroa, Martín; Angelovski, Goran; Brandariz, Isabel; Esteban-Gómez, David; Platas-Iglesias, Carlos","Toward Inert Paramagnetic Ni(II)-Based Chemical Exchange Saturation Transfer MRI Agents","Dalton Trans.","2017","","","","","10.1039/C7DT02758C","","","0.71073","MoKα","","0.0686","0.0603","","","0.1773","0.186","","","","","","1.021","","","","has coordinates","201580","2020-10-21","18:00:00",""
"7044398","19.4905","0.0005","7.7502","0.0002","15.2759","0.0004","90","","96.808","0.002","90","","2291.23","0.1","150","2","150","2","","","","","","","","7","P 1 21 1","P 2yb","4","","","","- C20 H34 B F4 N2 O3 P -","- C20 H34 B F4 N2 O3 P -","- C80 H136 B4 F16 N8 O12 P4 -","4","2","","Newman, Paul David; Melen, Rebecca; Platts, James A.; Wilkins, Lewis","Amidine functionalized phosphines: tuneable ligands for transition metals","Dalton Trans.","2017","","","","","10.1039/C7DT03343E","","","1.54178","CuKα","","0.0816","0.0713","","","0.1938","0.2058","","","","","","1.036","","","","has coordinates,has disorder","201582","2020-10-21","18:00:00",""
"7044399","20.8539","0.0005","12.8581","0.0003","22.0217","0.0006","90","","103.783","0.003","90","","5734.9","0.3","150","2","150","2","","","","","","","","7","C 1 2 1","C 2y","5","","","","- C20 H32 Cl2 N2 O4 P Rh -","- C20 H32 Cl2 N2 O4 P Rh -","- C160 H256 Cl16 N16 O32 P8 Rh8 -","8","2","","Newman, Paul David; Melen, Rebecca; Platts, James A.; Wilkins, Lewis","Amidine functionalized phosphines: tuneable ligands for transition metals","Dalton Trans.","2017","","","","","10.1039/C7DT03343E","","","0.71073","MoKα","","0.0254","0.023","","","0.0534","0.0547","","","","","","1.03","","","","has coordinates","201582","2020-10-21","18:00:00",""
"7044400","10.2699","0.0004","18.0168","0.0006","15.4569","0.0005","90","","103.602","0.004","90","","2779.79","0.17","150","2","150","2","","","","","","","","7","P 1 21 1","P 2yb","4","","","","- C23 H40 Cl3 N2 O4 P Pt -","- C23 H40 Cl3 N2 O4 P Pt -","- C92 H160 Cl12 N8 O16 P4 Pt4 -","4","2","","Newman, Paul David; Melen, Rebecca; Platts, James A.; Wilkins, Lewis","Amidine functionalized phosphines: tuneable ligands for transition metals","Dalton Trans.","2017","","","","","10.1039/C7DT03343E","","","0.71073","MoKα","","0.0482","0.0392","","","0.0831","0.0898","","","","","","1.042","","","","has coordinates,has disorder","201582","2020-10-21","18:00:00",""
"7044401","14.2214","0.0003","23.4406","0.0004","14.2488","0.0002","90","","93.025","0.001","90","","4743.34","0.14","150","2","150","2","","","","","","","","7","P 1 21 1","P 2yb","4","","","","- C20 H34 B F4 N2 O4 P -","- C20 H34 B F4 N2 O4 P -","- C160 H272 B8 F32 N16 O32 P8 -","8","4","","Newman, Paul David; Melen, Rebecca; Platts, James A.; Wilkins, Lewis","Amidine functionalized phosphines: tuneable ligands for transition metals","Dalton Trans.","2017","","","","","10.1039/C7DT03343E","","","1.54178","CuKα","","0.0552","0.0527","","","0.1487","0.152","","","","","","1.041","","","","has coordinates,has disorder","201582","2020-10-21","18:00:00",""
"7044402","8.4507","0.0002","32.6387","0.0006","12.2306","0.0003","90","","97.379","0.002","90","","3345.5","0.13","150","2","150","2","","","","","","","","9","P 1 21 1","P 2yb","4","","","","- C27 H43 B Cl2 F4 N2 O6 P Rh -","- C27 H43 B Cl2 F4 N2 O6 P Rh -","- C108 H172 B4 Cl8 F16 N8 O24 P4 Rh4 -","4","2","","Newman, Paul David; Melen, Rebecca; Platts, James A.; Wilkins, Lewis","Amidine functionalized phosphines: tuneable ligands for transition metals","Dalton Trans.","2017","","","","","10.1039/C7DT03343E","","","0.71073","MoKα","","0.0301","0.0279","","","0.0581","0.0594","","","","","","1.048","","","","has coordinates,has disorder","201582","2020-10-21","18:00:00",""
"7044403","9.5785","0.0002","19.3036","0.0004","15.108","0.0003","90","","98.7271","0.0018","90","","2761.12","0.1","150","","150","","","","","","","","","8","P 1 21/n 1","-P 2yn","14","","","","- C27 H28 B N4 O P Ru S2 -","- C27 H28 B N4 O P Ru S2 -","- C108 H112 B4 N16 O4 P4 Ru4 S8 -","4","1","","Hill, Anthony; Foreman, Mark; Ma, Chenxi; Otten, Natalie E.; Sharma, Manab; Tshabang, Never; Ward, Jas S.","Dihydrobis(methimazolyl)borato Complexes of Ruthenium and Osmium","Dalton Trans.","2017","","","","","10.1039/C7DT02420G","","","0.71073","MoKα","","0.0334","0.0246","","0.0518","0.0442","0.0518","","","","","","0.9751","","","","has coordinates","201674","2020-10-21","18:00:00",""
"7044404","10.101","0.005","10.655","0.005","16.973","0.005","89.448","0.005","81.499","0.005","63.321","0.005","1611","1.2","173","2","173","2","","","","","","","","10","P -1","-P 1","2","","","","- C27 H27 B Cl3 N4 O P Ru S2 Si -","- C27 H27 B Cl3 N4 O P Ru S2 Si -","- C54 H54 B2 Cl6 N8 O2 P2 Ru2 S4 Si2 -","2","1","","Hill, Anthony; Foreman, Mark; Ma, Chenxi; Otten, Natalie E.; Sharma, Manab; Tshabang, Never; Ward, Jas S.","Dihydrobis(methimazolyl)borato Complexes of Ruthenium and Osmium","Dalton Trans.","2017","","","","","10.1039/C7DT02420G","","","0.71073","MoKα","","0.0529","0.0341","","","0.0683","0.0757","","","","","","0.973","","","","has coordinates","201674","2020-10-21","18:00:00",""
"7044405","9.5809","0.0003","11.917","0.0005","16.4779","0.0008","81.611","0.004","80.31","0.004","77.705","0.003","1800.13","0.13","150","0.1","150","0.1","","","","","","","","9","P -1","-P 1","2","","","","- C29 H30 B Cl6 N4 O Os P S2 -","- C29 H30 B Cl6 N4 O Os P S2 -","- C58 H60 B2 Cl12 N8 O2 Os2 P2 S4 -","2","1","","Hill, Anthony; Foreman, Mark; Ma, Chenxi; Otten, Natalie E.; Sharma, Manab; Tshabang, Never; Ward, Jas S.","Dihydrobis(methimazolyl)borato Complexes of Ruthenium and Osmium","Dalton Trans.","2017","","","","","10.1039/C7DT02420G","","x-ray","1.54184","CuKα","","0.04","0.0371","","","0.0936","0.0962","","","","","","1.043","","","","has coordinates","201674","2020-10-21","18:00:00",""
"7044406","10.6","0.002","11.37","0.002","18.48","0.004","94.49","0.03","98.61","0.03","105.69","0.03","2103.5","0.8","200","2","200","2","","","","","","","","10","P -1","-P 1","2","","","","- C38 H48 B Cl2 N6 O P Ru S3 Si -","- C38 H48 B Cl2 N6 O P Ru S3 Si -","- C76 H96 B2 Cl4 N12 O2 P2 Ru2 S6 Si2 -","2","1","","Hill, Anthony; Foreman, Mark; Ma, Chenxi; Otten, Natalie E.; Sharma, Manab; Tshabang, Never; Ward, Jas S.","Dihydrobis(methimazolyl)borato Complexes of Ruthenium and Osmium","Dalton Trans.","2017","","","","","10.1039/C7DT02420G","","","0.71073","MoKα","","0.079","0.0428","","","0.0938","0.1089","","","","","","0.991","","","","has coordinates","201674","2020-10-21","18:00:00",""
"7044407","9.8222","0.0001","17.7321","0.0001","19.1412","0.0002","90","","99.3538","0.0008","90","","3289.46","0.05","150","","150","","","","","","","","","10","P 1 21/n 1","-P 2yn","14","","","","- C28 H29 B Cl3 N4 O P Ru S2 Se -","- C28 H29 B Cl3 N4 O P Ru S2 Se -","- C112 H116 B4 Cl12 N16 O4 P4 Ru4 S8 Se4 -","4","1","","Hill, Anthony; Foreman, Mark; Ma, Chenxi; Otten, Natalie E.; Sharma, Manab; Tshabang, Never; Ward, Jas S.","Dihydrobis(methimazolyl)borato Complexes of Ruthenium and Osmium","Dalton Trans.","2017","","","","","10.1039/C7DT02420G","","","1.5418","CuKα","","0.035","0.0327","","0.0825","0.0813","0.0825","","","","","","1.0639","","","","has coordinates","201674","2020-10-21","18:00:00",""
"7044408","11.193","0.0005","12.0791","0.0005","14.4768","0.0007","76.821","0.004","83.043","0.004","72.153","0.004","1811.25","0.15","150","0.1","150","0.1","","","","","","","","9","P -1","-P 1","2","","","","- C34 H33 B2 Cl2 N4 O3 P Ru S2 -","- C34 H33 B2 Cl2 N4 O3 P Ru S2 -","- C68 H66 B4 Cl4 N8 O6 P2 Ru2 S4 -","2","1","","Hill, Anthony; Foreman, Mark; Ma, Chenxi; Otten, Natalie E.; Sharma, Manab; Tshabang, Never; Ward, Jas S.","Dihydrobis(methimazolyl)borato Complexes of Ruthenium and Osmium","Dalton Trans.","2017","","","","","10.1039/C7DT02420G","","x-ray","1.54184","CuKα","","0.0321","0.0301","","","0.0792","0.0811","","","","","","1.04","","","","has coordinates","201674","2020-10-21","18:00:00",""
"7044409","15.3765","0.0002","9.4894","0.0001","16.8296","0.0003","90","","106.263","0.002","90","","2357.41","0.06","150","0.1","150","0.1","","","","","","","","8","P 1 21/c 1","-P 2ybc","14","","","","- C46 H42 Cl4 N4 O2 P2 Ru2 S2 -","- C46 H42 Cl4 N4 O2 P2 Ru2 S2 -","- C92 H84 Cl8 N8 O4 P4 Ru4 S4 -","2","0.5","","Hill, Anthony; Foreman, Mark; Ma, Chenxi; Otten, Natalie E.; Sharma, Manab; Tshabang, Never; Ward, Jas S.","Dihydrobis(methimazolyl)borato Complexes of Ruthenium and Osmium","Dalton Trans.","2017","","","","","10.1039/C7DT02420G","","x-ray","1.54184","CuKα","","0.0314","0.0275","","","0.0686","0.0727","","","","","","1.062","","","","has coordinates","201674","2020-10-21","18:00:00",""
"7044410","13.0188","0.0006","15.3408","0.0006","16.2776","0.0007","90","","112.263","0.005","90","","3008.6","0.2","293","2","293","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C48 H32 Cu2 I10 N8 Pb3 -","- C48 H32 Cu2 I10 N8 Pb3 -","- C96 H64 Cu4 I20 N16 Pb6 -","2","0.5","","Fan, Le-Qing; Jin, Xin; Li, Dongxu; Tian, Chong-Bin; Wu, Jihuai","[Pb3Cu2I10(phen)4]n: A novel organic-inorganic hybrid ferromagnetic semiconductor","Dalton Trans.","2017","","","","","10.1039/C7DT03237D","","","0.71073","MoKα","","0.0546","0.0377","","","0.0716","0.0778","","","","","","1.063","","","","has coordinates","201675","2020-10-21","18:00:00",""
"7044411","11.3335","0.0005","28.178","0.001","15.8677","0.0006","90","","109.306","0.002","90","","4782.5","0.3","296.15","","296.15","","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C53 H39 Cu2 N11 O6 -","- C53 H39 Cu2 N11 O6 -","- C212 H156 Cu8 N44 O24 -","4","1","","Majee, Karunamay; Patel, Jully; Das, Babulal; Padhi, Sumanta Kumar","µ-Pyridine bridged Copper Complex with Robust Proton Reducing Ability","Dalton Trans.","2017","","","","","10.1039/C7DT03153J","","","0.71073","MoKα","","0.1352","0.0575","","","0.098","0.1083","","","","","","0.934","","","","has coordinates,has disorder","201676","2020-10-21","18:00:00",""
"7044412","14.6622","0.0003","15.0595","0.0003","19.7854","0.0005","92.907","0.001","102.128","0.002","114.977","0.001","3823.54","0.16","100","2","100","2","","","","","","","","6","P -1","-P 1","2","","","","- C76 H88 Cl4 Co3 N16 O8 -","- C76 H88 Cl4 Co3 N16 O8 -","- C152 H176 Cl8 Co6 N32 O16 -","2","1","","Li, Chen-Yu; Su, Yu-Chia; Lin, Chia-Her; Huang, Hsi-Ya; Tsai, Chen-Yen; Lee, Ting-Yu; Ko, Bao-Tsan","Synthesis and characterization of trimetallic cobalt, zinc and nickel complexes containing amine-bis(benzotriazole phenolate) ligands: efficient catalysts for coupling of carbon dioxide with epoxides","Dalton Trans.","2017","","","","","10.1039/C7DT02841E","","","0.71073","MoKα","","0.1802","0.0759","","","0.1893","0.2324","","","","","","1.032","","","","has coordinates","201677","2020-10-21","18:00:00",""
"7044413","31.301","0.0011","14.6377","0.0005","21.7838","0.0014","90","","132.187","0.001","90","","7395.3","0.6","100","2","100","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C68 H74 N16 Ni3 O10 -","- C68 H74 N16 Ni3 O10 -","- C272 H296 N64 Ni12 O40 -","4","0.5","","Li, Chen-Yu; Su, Yu-Chia; Lin, Chia-Her; Huang, Hsi-Ya; Tsai, Chen-Yen; Lee, Ting-Yu; Ko, Bao-Tsan","Synthesis and characterization of trimetallic cobalt, zinc and nickel complexes containing amine-bis(benzotriazole phenolate) ligands: efficient catalysts for coupling of carbon dioxide with epoxides","Dalton Trans.","2017","","","","","10.1039/C7DT02841E","","","0.71073","MoKα","","0.0337","0.0305","","","0.0858","0.0875","","","","","","1.093","","","","has coordinates","201677","2020-10-21","18:00:00",""
"7044414","15.2998","0.0003","16.3673","0.0003","16.628","0.0003","74.594","0.001","67.298","0.001","62.457","0.001","3386.56","0.12","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","","","- C68 H70 N16 O8 Zn3 -","- C68 H70 N16 O8 Zn3 -","- C136 H140 N32 O16 Zn6 -","2","1","","Li, Chen-Yu; Su, Yu-Chia; Lin, Chia-Her; Huang, Hsi-Ya; Tsai, Chen-Yen; Lee, Ting-Yu; Ko, Bao-Tsan","Synthesis and characterization of trimetallic cobalt, zinc and nickel complexes containing amine-bis(benzotriazole phenolate) ligands: efficient catalysts for coupling of carbon dioxide with epoxides","Dalton Trans.","2017","","","","","10.1039/C7DT02841E","","","0.71073","MoKα","","0.0407","0.0319","","","0.083","0.0863","","","","","","1.097","","","","has coordinates","201677","2020-10-21","18:00:00",""
"7044415","10.088","0.003","12.859","0.003","14.791","0.004","90","","94.505","0.003","90","","1912.8","0.9","296","2","296","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C15 H19 Co N4 O3 S2 -","- C15 H19 Co N4 O3 S2 -","- C60 H76 Co4 N16 O12 S8 -","4","1","","Das, Debasis; Mandal, Arnab; Dasgupta, Sanchari; Ganguly, Sumi; Bauza, Antonio; Frontera, Antonio","Cooperative Influence of Pseudohalides and Ligand Backbone of Schiff-bases on Nuclearity and Stereochemistry of Cobalt(III) Complexes: Experimental and Theoretical Investigation","Dalton Trans.","2017","","","","","10.1039/C7DT03040A","","","0.71073","MoKα","","0.0708","0.049","","","0.1214","0.1357","","","","","","1.08","","","","has coordinates,has disorder","201678","2020-10-21","18:00:00",""
"7044416","8.3859","0.0008","11.444","0.0011","11.5557","0.0012","65.724","0.003","84.537","0.003","78.011","0.003","988.81","0.17","296","2","296","2","","","","","","","","6","P -1","-P 1","2","","","","- C16 H22 Co N4 O3 S2 -","- C16 H22 Co N4 O3 S2 -","- C32 H44 Co2 N8 O6 S4 -","2","1","","Das, Debasis; Mandal, Arnab; Dasgupta, Sanchari; Ganguly, Sumi; Bauza, Antonio; Frontera, Antonio","Cooperative Influence of Pseudohalides and Ligand Backbone of Schiff-bases on Nuclearity and Stereochemistry of Cobalt(III) Complexes: Experimental and Theoretical Investigation","Dalton Trans.","2017","","","","","10.1039/C7DT03040A","","","0.71073","MoKα","","0.0527","0.0411","","","0.1022","0.1092","","","","","","1.031","","","","has coordinates,has disorder","201678","2020-10-21","18:00:00",""
"7044417","9.09","0.007","6.708","0.005","21.311","0.016","90","","97.47","0.007","90","","1288.4","1.7","296","2","296","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C22 H28 Co2 N10 O4 -","- C22 H27.62 Co2 N10 O4 -","- C44 H55.24 Co4 N20 O8 -","2","0.5","","Das, Debasis; Mandal, Arnab; Dasgupta, Sanchari; Ganguly, Sumi; Bauza, Antonio; Frontera, Antonio","Cooperative Influence of Pseudohalides and Ligand Backbone of Schiff-bases on Nuclearity and Stereochemistry of Cobalt(III) Complexes: Experimental and Theoretical Investigation","Dalton Trans.","2017","","","","","10.1039/C7DT03040A","","","0.71073","MoKα","","0.1647","0.115","","","0.3295","0.3673","","","","","","1.295","","","","has coordinates,has disorder","201678","2020-10-21","18:00:00",""
"7044418","8.345","0.004","9.546","0.005","10.597","0.005","71.366","0.007","67.949","0.007","87.576","0.007","738.5","0.6","296","2","296","2","","","","","","","","5","P -1","-P 1","2","","","","- C12 H17 Co N8 O2 -","- C12 H17 Co N8 O2 -","- C24 H34 Co2 N16 O4 -","2","1","","Das, Debasis; Mandal, Arnab; Dasgupta, Sanchari; Ganguly, Sumi; Bauza, Antonio; Frontera, Antonio","Cooperative Influence of Pseudohalides and Ligand Backbone of Schiff-bases on Nuclearity and Stereochemistry of Cobalt(III) Complexes: Experimental and Theoretical Investigation","Dalton Trans.","2017","","","","","10.1039/C7DT03040A","","","0.71073","MoKα","","0.1134","0.0538","","","0.0891","0.1066","","","","","","0.956","","","","has coordinates","201678","2020-10-21","18:00:00",""
"7044419","33.393","0.004","15.0582","0.0013","21.186","0.002","90","","96.356","0.008","90","","10587.7","1.9","","","149.99","","","","","","","","","8","C 1 2/c 1","-C 2yc","15","","","","- C42 H51 Au Cl I N6 O Rh -","- C42 H51 Au Cl I N6 O Rh -","- C336 H408 Au8 Cl8 I8 N48 O8 Rh8 -","8","1","","Gatus, Mark; Bhadbhade, Mohan; Messerle, Barbara A.","Highly Versatile Heteroditopic Ligand Scaffolds for Accommodating Group 8, 9 & 11 Heterobimetallic Complexes","Dalton Trans.","2017","","","","","10.1039/C7DT02854G","","","0.71073","MoKα","","0.0758","0.0506","","","0.1316","0.1462","","","","","","1.0424","","","","has coordinates,has disorder","201804","2020-10-21","18:00:00",""
"7044420","19.462","0.004","23.367","0.005","16.797","0.003","90","","104.72","0.03","90","","7388","3","","","","","","","","","","","","8","P 1 21/c 1","-P 2ybc","14","","","","- C74 H84 B Cl Ir N6 O Rh -","- C74 H84 B Cl Ir N6 O Rh -","- C296 H336 B4 Cl4 Ir4 N24 O4 Rh4 -","4","1","","Gatus, Mark; Bhadbhade, Mohan; Messerle, Barbara A.","Highly Versatile Heteroditopic Ligand Scaffolds for Accommodating Group 8, 9 & 11 Heterobimetallic Complexes","Dalton Trans.","2017","","","","","10.1039/C7DT02854G","","","0.71073","MoKα","","0.0435","0.0379","","","0.1095","0.1155","","","","","","0.8077","","","","has coordinates","201804","2020-10-21","18:00:00",""
"7044421","9.9529","0.0009","12.3931","0.0011","30.588","0.003","90","","95.433","0.004","90","","3756","0.6","150","2","150","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C34 H40 Au Cl N6 O -","- C34 H40 Au Cl N6 O -","- C136 H160 Au4 Cl4 N24 O4 -","4","1","","Gatus, Mark; Bhadbhade, Mohan; Messerle, Barbara A.","Highly Versatile Heteroditopic Ligand Scaffolds for Accommodating Group 8, 9 & 11 Heterobimetallic Complexes","Dalton Trans.","2017","","","","","10.1039/C7DT02854G","","","0.71073","MoKα","","0.0493","0.0425","","","0.0815","0.0833","","","","","","1.203","","","","has coordinates","201804","2020-10-21","18:00:00",""
"7044422","13.5268","0.0019","36.756","0.005","14.0701","0.0018","90","","108.382","0.004","90","","6638.6","1.6","150","2","150","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C76 H82 B Cl2 N9 O Rh -","- C76 H82 B Cl2 N9 O Rh -","- C304 H328 B4 Cl8 N36 O4 Rh4 -","4","1","","Gatus, Mark; Bhadbhade, Mohan; Messerle, Barbara A.","Highly Versatile Heteroditopic Ligand Scaffolds for Accommodating Group 8, 9 & 11 Heterobimetallic Complexes","Dalton Trans.","2017","","","","","10.1039/C7DT02854G","","","0.71073","MoKα","","0.141","0.0618","","","0.0979","0.1164","","","","","","0.828","","","","has coordinates","201804","2020-10-21","18:00:00",""
"7044423","18.0307","0.0004","18.0307","0.0004","18.0307","0.0004","90","","90","","90","","5861.9","0.2","296","2","296","2","","","","","","","","7","I 41 3 2","I 4bd 2c 3","214","ZG-3N-L","","","- C0.83 H3.31 Ga0.38 N0.62 O4 P Zn0.62 -","- Ga0.38 O4 P Zn0.62 -","- Ga18.24 O192 P48 Zn29.76 -","48","1","","Huang, Hui-Lin; Liu, You-Rong; Huang, Li-Hsun; Chiang, Ray-Kuang; Wang, Sue-Lein","Achiral Polyamine-Induced Chiral Zinc Gallophosphates with Fused Double Helix-Like Strands Exhibiting Blue to Green Photoluminescence","Dalton Trans.","2017","","","","","10.1039/C7DT02465G","","","0.71073","MoKα","","0.0145","0.0138","","","0.0424","0.0426","","","","","","1.118","","","","has coordinates","201844","2020-10-21","18:00:00",""
"7044424","18.0053","0.0007","18.0053","0.0007","18.0053","0.0007","90","","90","","90","","5837.2","0.4","296","2","296","2","","","","","","","","7","I 41 3 2","I 4bd 2c 3","214","ZG-5N-H","","","- C0.96 H3.36 Ga0.4 N0.6 O4 P Zn0.6 -","- Ga0.4 O4 P Zn0.6 -","- Ga19.2 O192 P48 Zn28.8 -","48","1","","Huang, Hui-Lin; Liu, You-Rong; Huang, Li-Hsun; Chiang, Ray-Kuang; Wang, Sue-Lein","Achiral Polyamine-Induced Chiral Zinc Gallophosphates with Fused Double Helix-Like Strands Exhibiting Blue to Green Photoluminescence","Dalton Trans.","2017","","","","","10.1039/C7DT02465G","","","0.71073","MoKα","","0.0138","0.0131","","","0.0357","0.0359","","","","","","1.141","","","","has coordinates","201844","2020-10-21","18:00:00",""
"7044425","18.0121","0.0003","18.0121","0.0003","18.0121","0.0003","90","","90","","90","","5843.77","0.17","296","2","296","2","","","","","","","","7","I 41 3 2","I 4bd 2c 3","214","ZG-3N-H","","","- C0.84 H3.36 Ga0.37 N0.63 O4 P Zn0.63 -","- Ga0.37 O4 P Zn0.63 -","- Ga17.76 O192 P48 Zn30.24 -","48","1","","Huang, Hui-Lin; Liu, You-Rong; Huang, Li-Hsun; Chiang, Ray-Kuang; Wang, Sue-Lein","Achiral Polyamine-Induced Chiral Zinc Gallophosphates with Fused Double Helix-Like Strands Exhibiting Blue to Green Photoluminescence","Dalton Trans.","2017","","","","","10.1039/C7DT02465G","","","0.71073","MoKα","","0.0159","0.0152","","","0.048","0.0482","","","","","","1.104","","","","has coordinates","201844","2020-10-21","18:00:00",""
"7044426","17.9625","0.0005","17.9625","0.0005","17.9625","0.0005","90","","90","","90","","5795.6","0.3","296","2","296","2","","","","","","","","7","I 41 3 2","I 4bd 2c 3","214","ZG-4N-H","","","- C0.9 H3.3 Ga0.4 N0.6 O4 P Zn0.6 -","- Ga0.4 O4 P Zn0.6 -","- Ga19.2 O192 P48 Zn28.8 -","48","1","","Huang, Hui-Lin; Liu, You-Rong; Huang, Li-Hsun; Chiang, Ray-Kuang; Wang, Sue-Lein","Achiral Polyamine-Induced Chiral Zinc Gallophosphates with Fused Double Helix-Like Strands Exhibiting Blue to Green Photoluminescence","Dalton Trans.","2017","","","","","10.1039/C7DT02465G","","","0.71073","MoKα","","0.0159","0.0152","","","0.045","0.0452","","","","","","1.095","","","","has coordinates","201844","2020-10-21","18:00:00",""
"7044427","18.0228","0.0013","18.0228","0.0013","18.0228","0.0013","90","","90","","90","","5854.2","0.7","296","2","296","2","","","","","","","","7","I 41 3 2","I 4bd 2c 3","214","ZG-5N-L","","","- C0.91 H3.19 Ga0.43 N0.57 O4 P Zn0.57 -","- Ga0.43 O4 P Zn0.57 -","- Ga20.64 O192 P48 Zn27.36 -","48","1","","Huang, Hui-Lin; Liu, You-Rong; Huang, Li-Hsun; Chiang, Ray-Kuang; Wang, Sue-Lein","Achiral Polyamine-Induced Chiral Zinc Gallophosphates with Fused Double Helix-Like Strands Exhibiting Blue to Green Photoluminescence","Dalton Trans.","2017","","","","","10.1039/C7DT02465G","","","0.71073","MoKα","","0.0158","0.0147","","","0.0397","0.04","","","","","","1.093","","","","has coordinates","201844","2020-10-21","18:00:00",""
"7044428","17.947","0.0002","17.947","0.0002","17.947","0.0002","90","","90","","90","","5780.64","0.11","296","2","296","2","","","","","","","","7","I 41 3 2","I 4bd 2c 3","214","ZG-6N-H","","","- C0.93 H3.17 Ga0.44 N0.56 O4 P Zn0.56 -","- Ga0.44 O4 P Zn0.56 -","- Ga21.12 O192 P48 Zn26.88 -","48","1","","Huang, Hui-Lin; Liu, You-Rong; Huang, Li-Hsun; Chiang, Ray-Kuang; Wang, Sue-Lein","Achiral Polyamine-Induced Chiral Zinc Gallophosphates with Fused Double Helix-Like Strands Exhibiting Blue to Green Photoluminescence","Dalton Trans.","2017","","","","","10.1039/C7DT02465G","","","0.71073","MoKα","","0.016","0.0155","","","0.0439","0.0441","","","","","","1.106","","","","has coordinates","201844","2020-10-21","18:00:00",""
"7044429","17.9925","0.0006","17.9925","0.0006","17.9925","0.0006","90","","90","","90","","5824.7","0.3","296","2","296","2","","","","","","","","7","I 41 3 2","I 4bd 2c 3","214","ZG-4N-L","","","- C0.9 H3.3 Ga0.4 N0.6 O4 P Zn0.6 -","- Ga0.4 O4 P Zn0.6 -","- Ga19.2 O192 P48 Zn28.8 -","48","1","","Huang, Hui-Lin; Liu, You-Rong; Huang, Li-Hsun; Chiang, Ray-Kuang; Wang, Sue-Lein","Achiral Polyamine-Induced Chiral Zinc Gallophosphates with Fused Double Helix-Like Strands Exhibiting Blue to Green Photoluminescence","Dalton Trans.","2017","","","","","10.1039/C7DT02465G","","","0.71073","MoKα","","0.0131","0.0125","","","0.036","0.0362","","","","","","1.132","","","","has coordinates","201844","2020-10-21","18:00:00",""
"7044430","17.949","0.003","17.949","0.003","17.949","0.003","90","","90","","90","","5782.6","1.7","296","2","296","2","","","","","","","","7","I 41 3 2","I 4bd 2c 3","214","ZG-6N-L","","","- C0.9 H3.06 Ga0.46 N0.54 O4 P Zn0.54 -","- Ga0.46 O4 P Zn0.54 -","- Ga22.08 O192 P48 Zn25.92 -","48","1","","Huang, Hui-Lin; Liu, You-Rong; Huang, Li-Hsun; Chiang, Ray-Kuang; Wang, Sue-Lein","Achiral Polyamine-Induced Chiral Zinc Gallophosphates with Fused Double Helix-Like Strands Exhibiting Blue to Green Photoluminescence","Dalton Trans.","2017","","","","","10.1039/C7DT02465G","","","0.71073","MoKα","","0.0118","0.0115","","","0.0333","0.0334","","","","","","1.125","","","","has coordinates","201844","2020-10-21","18:00:00",""
"7044431","13.201","0.003","15.952","0.003","10.31","0.002","90","","91.966","0.003","90","","2169.8","0.8","240","2","240","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C21 H29 N5 O Zn -","- C21 H29 N5 O Zn -","- C84 H116 N20 O4 Zn4 -","4","1","","Otero, Antonio; Juan, Fernandez-Baeza; SÁNCHEZ-BARBA MERLO, LUIS FERNANDO; Sobrino Ramírez, Sonia; Garcés Osado, Andrés; Lara, Agustin; Rodríguez, Ana María","Mono- and Binuclear Chiral N,N,O-Scorpionate Zinc Alkyls as Efficient Initiators for the ROP of rac-Lactide.","Dalton Trans.","2017","","","","","10.1039/C7DT03045B","","","0.71073","MoKα","","0.066","0.0419","","","0.0933","0.1026","","","","","","1.02","","","","has coordinates","201845","2020-10-21","18:00:00",""
"7044432","12.951","0.003","16.222","0.004","10.789","0.003","90","","92.045","0.004","90","","2265.2","1","240","2","240","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C22 H31 N5 O Zn -","- C22 H31 N5 O Zn -","- C88 H124 N20 O4 Zn4 -","4","1","","Otero, Antonio; Juan, Fernandez-Baeza; SÁNCHEZ-BARBA MERLO, LUIS FERNANDO; Sobrino Ramírez, Sonia; Garcés Osado, Andrés; Lara, Agustin; Rodríguez, Ana María","Mono- and Binuclear Chiral N,N,O-Scorpionate Zinc Alkyls as Efficient Initiators for the ROP of rac-Lactide.","Dalton Trans.","2017","","","","","10.1039/C7DT03045B","","","0.71073","MoKα","","0.1534","0.0583","","","0.1201","0.1566","","","","","","0.959","","","","has coordinates","201845","2020-10-21","18:00:00",""
"7044433","10.4707","0.0005","13.0591","0.0006","14.8946","0.0007","89.716","0.002","75.015","0.002","68.874","0.002","1826.35","0.15","150","2","150","2","","","","","","","","6","P -1","-P 1","2","","","","- C46 H31 Cl2 Fe N5 O -","- C46 H31 Cl2 Fe N5 O -","- C92 H62 Cl4 Fe2 N10 O2 -","2","1","","Ching, Wei-Min; Chen, Peter Ping-Yu; Hung, Chen-Hsiung","Mechanistic Study of Nitrite Reduction on Iron(II) Complexes of Methylated N-Confused Porphyrins","Dalton Trans.","2017","","","","","10.1039/C7DT02869E","","","0.71073","MoKα","","0.0926","0.0534","","","0.1152","0.1303","","","","","","1.029","","","","has coordinates,has disorder","201846","2020-10-21","18:00:00",""
"7044434","12.4481","0.0004","12.8921","0.0004","13.1225","0.0005","89.986","0.002","80.134","0.002","67.664","0.002","1914.25","0.12","150","2","150","2","","","","","","","","6","P -1","-P 1","2","","","","- C46.5 H34 Br Cl Fe N4 -","- C46.5 H34 Br Cl Fe N4 -","- C93 H68 Br2 Cl2 Fe2 N8 -","2","1","","Ching, Wei-Min; Chen, Peter Ping-Yu; Hung, Chen-Hsiung","Mechanistic Study of Nitrite Reduction on Iron(II) Complexes of Methylated N-Confused Porphyrins","Dalton Trans.","2017","","","","","10.1039/C7DT02869E","","","0.71073","MoKα","","0.0899","0.0569","","","0.1552","0.1943","","","","","","1.018","","","","has coordinates,has disorder","201846","2020-10-21","18:00:00",""
"7044435","14.8222","0.0012","18.034","0.002","11.3463","0.0012","90","","124.635","0.001","90","","2495.4","0.4","293","2","293","2","","","","","","","","5","C 1 2 1","C 2y","5","","","","- C28 H24 Cu N4 O6 -","- C28 H24 Cu N4 O6 -","- C112 H96 Cu4 N16 O24 -","4","1","","Liu, Jian-Qiang; Wang, Jun; Li, Baohong; Lu, Lu; Sakiyama, Hiroshi; Kumar, Abhinav","An unusual zig-zag 1D copper(II) coordination polymer displaying magnetic phase transition","Dalton Trans.","2017","","","","","10.1039/C7DT03539J","","","0.71073","MoKα","","0.0617","0.0463","","","0.1132","0.1217","","","","","","1.035","","","","has coordinates,has disorder","201847","2020-10-21","18:00:00",""
"7044436","7.666","0.003","14.968","0.002","26.507","0.005","90","","101.317","0.009","90","","2982.4","1.4","293","2","293.15","","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","Galia4 (Masha)","","","- C29 H24 Cu F6 N5 O2 P -","- C29 H24 Cu F6 N5 O2 P -","- C116 H96 Cu4 F24 N20 O8 P4 -","4","1","","Baskin, Maria; Fridman, Natalia; Kosa, Monica; Maayan, Galia","Heteroleptic Complexes via Solubility Control: Examples of Cu(II), Co(II), Ni(II) and Mn(II) complexes Based on the Derivatives of Terpyridine and Hydroxyquinoline","Dalton Trans.","2017","","","","","10.1039/C7DT03387G","","","0.71073","MoKα","","0.1053","0.0587","","","0.1507","0.1833","","","","","","1.044","","","","has coordinates","201872","2020-10-21","18:00:00",""
"7044437","8.434","0.0005","12.608","0.0011","15.196","0.0013","77.523","0.004","76.595","0.005","82.342","0.005","1528.8","0.2","200","2","200.15","","","","","","","","","7","P -1","-P 1","2","Galia19 (Masha)","","","- C30 H30 F6 N5 Ni O3 P -","- C30 H30 F6 N5 Ni O3 P -","- C60 H60 F12 N10 Ni2 O6 P2 -","2","1","","Baskin, Maria; Fridman, Natalia; Kosa, Monica; Maayan, Galia","Heteroleptic Complexes via Solubility Control: Examples of Cu(II), Co(II), Ni(II) and Mn(II) complexes Based on the Derivatives of Terpyridine and Hydroxyquinoline","Dalton Trans.","2017","","","","","10.1039/C7DT03387G","","","0.71073","MoKα","","0.109","0.093","","","0.271","0.2827","","","","","","1.066","","","","has coordinates","201872","2020-10-21","18:00:00",""
"7044438","10.303","0.0011","12.525","0.0018","24.583","0.004","91.421","0.007","97.104","0.005","104.077","0.006","3048.5","0.7","200","2","200.15","","","","","","","","","7","P -1","-P 1","2","Galia23 (Masha)","","","- C53 H40 Cu2 F18 N12 O2 P3 -","- C53 H40 Cu2 F18 N12 O2 P3 -","- C106 H80 Cu4 F36 N24 O4 P6 -","2","1","","Baskin, Maria; Fridman, Natalia; Kosa, Monica; Maayan, Galia","Heteroleptic Complexes via Solubility Control: Examples of Cu(II), Co(II), Ni(II) and Mn(II) complexes Based on the Derivatives of Terpyridine and Hydroxyquinoline","Dalton Trans.","2017","","","","","10.1039/C7DT03387G","","","0.71073","MoKα","","0.1419","0.0888","","","0.2233","0.2554","","","","","","1.022","","","","has coordinates","201872","2020-10-21","18:00:00",""
"7044439","8.42","0.003","10.766","0.003","10.903","0.002","83","0.03","83.7","0.05","83.759","0.014","970.5","0.5","200","2","200.15","","","","","","","","","5","P -1","-P 1","2","Galia25 (Masha)","","","- C19 H19 Mn N3 O5 -","- C19 H19 Mn N3 O5 -","- C38 H38 Mn2 N6 O10 -","2","1","","Baskin, Maria; Fridman, Natalia; Kosa, Monica; Maayan, Galia","Heteroleptic Complexes via Solubility Control: Examples of Cu(II), Co(II), Ni(II) and Mn(II) complexes Based on the Derivatives of Terpyridine and Hydroxyquinoline","Dalton Trans.","2017","","","","","10.1039/C7DT03387G","","","0.71073","MoKα","","0.0568","0.0506","","","0.1168","0.1194","","","","","","1.289","","","","has coordinates","201872","2020-10-21","18:00:00",""
"7044440","14.408","0.0002","20.761","0.0003","26.866","0.0005","90","","106.036","0.0006","90","","7723.6","0.2","200","2","200.15","","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","Galia21 (Masha)","","","- C72 H48 F12 Mn4 N10 O15.5 P2 -","- C72 H48 F12 Mn4 N10 O15.5 P2 -","- C288 H192 F48 Mn16 N40 O62 P8 -","4","1","","Baskin, Maria; Fridman, Natalia; Kosa, Monica; Maayan, Galia","Heteroleptic Complexes via Solubility Control: Examples of Cu(II), Co(II), Ni(II) and Mn(II) complexes Based on the Derivatives of Terpyridine and Hydroxyquinoline","Dalton Trans.","2017","","","","","10.1039/C7DT03387G","","","0.71073","MoKα","","0.1254","0.072","","","0.1939","0.2218","","","","","","1.013","","","","has coordinates","208944","2020-10-21","18:00:00",""
"7044441","8.469","0.0003","12.568","0.0008","15.238","0.001","78.154","0.003","76.135","0.004","83.078","0.004","1536.77","0.15","200","2","200.15","","","","","","","","","7","P -1","-P 1","2","Galia8 (Masha)","","","- C30 H30 Co F6 N5 O3 P -","- C30 H30 Co F6 N5 O3 P -","- C60 H60 Co2 F12 N10 O6 P2 -","2","1","","Baskin, Maria; Fridman, Natalia; Kosa, Monica; Maayan, Galia","Heteroleptic Complexes via Solubility Control: Examples of Cu(II), Co(II), Ni(II) and Mn(II) complexes Based on the Derivatives of Terpyridine and Hydroxyquinoline","Dalton Trans.","2017","","","","","10.1039/C7DT03387G","","","0.71073","MoKα","","0.0455","0.0385","","","0.0976","0.1014","","","","","","1.045","","","","has coordinates","201872","2020-10-21","18:00:00",""
"7044442","8.547","0.0005","10.983","0.001","11.038","0.0011","73.069","0.004","84.894","0.005","68.064","0.005","919.25","0.14","200","2","200.15","","","","","","","","","5","P -1","-P 1","2","Galia9 (Masha)","","","- C19 H17 Co N3 O4 -","- C19 H17 Co N3 O4 -","- C38 H34 Co2 N6 O8 -","2","1","","Baskin, Maria; Fridman, Natalia; Kosa, Monica; Maayan, Galia","Heteroleptic Complexes via Solubility Control: Examples of Cu(II), Co(II), Ni(II) and Mn(II) complexes Based on the Derivatives of Terpyridine and Hydroxyquinoline","Dalton Trans.","2017","","","","","10.1039/C7DT03387G","","","0.71073","MoKα","","0.0791","0.0738","","","0.2185","0.22","","","","","","1.152","","","","has coordinates","201872","2020-10-21","18:00:00",""
"7044443","9.1721","0.0008","11.5764","0.0011","12.8822","0.0012","79.504","0.006","72.656","0.006","69.425","0.006","1217.8","0.2","298","1","298","1","","","","","","","","6","P -1","-P 1","2","","","","- C21 H15 N2 O6 S Zn -","- C21 H15 N2 O6 S Zn -","- C42 H30 N4 O12 S2 Zn2 -","2","1","","Pal, Arun; Chand, Santanu; Elahi, Syed Meheboob; Das, Madhab C.","A microporous MOF with polar pore surface exhibiting excellent selective adsorption of CO2 from CO2-N2 and CO2-CH4 gas mixture with high CO2 loading","Dalton Trans.","2017","","","","","10.1039/C7DT03341A","","","0.71073","MoKα","","0.1427","0.0658","","","0.1515","0.171","","","","","","0.969","","","","has coordinates","201873","2020-10-21","18:00:00",""
"7044444","8.9536","0.0002","11.9966","0.0003","13.8709","0.0003","107.694","0.002","105.087","0.002","99.04","0.002","1324.54","0.06","293","2","293","2","","","","","","","","6","P -1","-P 1","2","","","","- C24 H16 Cl Fe N6 O8 -","- C24 H16 Cl Fe N6 O8 -","- C48 H32 Cl2 Fe2 N12 O16 -","2","1","","Markiewicz, Grzegorz; Piechocki, Miłosz; Walczak, Anna; Połomska, Ewa; Harrowfield, Jack; Stefankiewicz, Artur Ryszard","Generation and transformation of a hemi-iminal-based metal-organic Fe(II) structure obtained via subcomponent self-assembly in water","Dalton Trans.","2017","","","","","10.1039/C7DT03182C","","x-ray","0.71073","MoKα","","0.0612","0.048","","","0.1295","0.1373","","","","","","1.063","","","","has coordinates","201874","2020-10-21","18:00:00",""
"7044445","18.8053","0.0001","18.8053","0.0001","43.3432","0.0004","90","","90","","120","","13274.3","0.16","45","2","45","2","","","","","","","","6","P 65 2 2","P 65 2 (0 0 1)","179","","","","- C48 H42 Cr4 Mn2 N16 O49 -","- C48 H40 Cr4 Mn2 N16 O49 -","- C288 H240 Cr24 Mn12 N96 O294 -","6","0.5","","Mon, Marta; Vallejo, Julia; Pasán, Jorge; Fabelo, Oscar; Train, Cyrille; Verdaguer, Michel; Ohkoshi, Shin-ichi; Tokoro, Hiroko; Nakagawa, Kosuke; Pardo, Emilio","A novel oxalate-based three-dimensional coordination polymer showing magnetic ordering and high proton conductivity","Dalton Trans.","2017","","","","","10.1039/C7DT03415F","","x-ray","0.6691","synchrotron","","0.1301","0.1279","","","0.3485","0.3537","","","","","","1.744","","","","has coordinates","201875","2020-10-21","18:00:00",""
"7044446","18.8053","0.0001","18.8053","0.0001","43.3432","0.0004","90","","90","","120","","13274.3","0.16","45","2","45","2","","","","","","","","6","P 65 2 2","P 65 2 (0 0 1)","179","","","","- C48 H42 Cr4 Mn2 N16 O49 -","- C27 H5 Cr4 Mn2 N2 O49 -","- C162 H30 Cr24 Mn12 N12 O294 -","6","0.5","","Mon, Marta; Vallejo, Julia; Pasán, Jorge; Fabelo, Oscar; Train, Cyrille; Verdaguer, Michel; Ohkoshi, Shin-ichi; Tokoro, Hiroko; Nakagawa, Kosuke; Pardo, Emilio","A novel oxalate-based three-dimensional coordination polymer showing magnetic ordering and high proton conductivity","Dalton Trans.","2017","","","","","10.1039/C7DT03415F","","x-ray","0.6691","synchrotron","","0.0563","0.054","","","0.1728","0.1765","","","","","","1.048","","","","has coordinates","201875","2020-10-21","18:00:00",""
"7044447","30.7836","0.0004","30.7836","0.0004","19.4632","0.0006","90","","90","","120","","15972.9","0.6","173","2","173","2","","","","","","","","7","R 3","R 3","146","","","","- C201 H201 Br Cu18 N45 Na O48 -","- C201 H201 Br Cu18 N45 Na O48 -","- C603 H603 Br3 Cu54 N135 Na3 O144 -","3","","","Chen, Zilu; Shen, Yanling; Li, Lingling; Zou, Hua-Hong; Fu, Xiaoxiao; Liu, Ziyuan; Wang, Kai; Liang, Fupei","High-nuclearity heterometallic clusters with both anion and cation sandwiched by planar cluster units: synthesis, structure and properties","Dalton Trans.","2017","","","","","10.1039/C7DT02881D","","","0.71073","MoKα","","0.0538","0.0401","","","0.0986","0.109","","","","","","1.067","","","","has coordinates","201876","2020-10-21","18:00:00",""
"7044448","30.9","0.5","30.9","0.5","19.2466","0.0018","90","","90","","120","","15915","4","173","2","173","2","","","","","","","","7","R 3 :H","R 3","146","","","","- C201 H201 Br Cu18 K N45 O48 -","- C192 H168 Br Cu18 K N42 O39 -","- C576 H504 Br3 Cu54 K3 N126 O117 -","3","0.333333","","Chen, Zilu; Shen, Yanling; Li, Lingling; Zou, Hua-Hong; Fu, Xiaoxiao; Liu, Ziyuan; Wang, Kai; Liang, Fupei","High-nuclearity heterometallic clusters with both anion and cation sandwiched by planar cluster units: synthesis, structure and properties","Dalton Trans.","2017","","","","","10.1039/C7DT02881D","","","0.71073","MoKα","","0.0883","0.0576","","","0.1186","0.1349","","","","","","1.001","","","","has coordinates","201876","2020-10-21","18:00:00",""
"7044449","30.6756","0.0004","30.6756","0.0004","19.4069","0.0009","90","","90","","120","","15815.1","0.8","173","2","173","2","","","","","","","","7","R 3","R 3","146","","","","- C201 H201 Cl Cu18 N45 Na O48 -","- C201 H201 Cl Cu18 N45 Na O48 -","- C603 H603 Cl3 Cu54 N135 Na3 O144 -","3","","","Chen, Zilu; Shen, Yanling; Li, Lingling; Zou, Hua-Hong; Fu, Xiaoxiao; Liu, Ziyuan; Wang, Kai; Liang, Fupei","High-nuclearity heterometallic clusters with both anion and cation sandwiched by planar cluster units: synthesis, structure and properties","Dalton Trans.","2017","","","","","10.1039/C7DT02881D","","","0.71073","MoKα","","0.1047","0.0562","","","0.1108","0.1341","","","","","","1.023","","","","has coordinates","201876","2020-10-21","18:00:00",""
"7044450","30.9435","0.0003","30.9435","0.0003","19.7564","0.0005","90","","90","","120","","16382.4","0.5","173","2","173","2","","","","","","","","7","R 3 :H","R 3","146","","","","- C201 H201 Cl Cu18 K N45 O48 -","- C192 H168 Cl Cu18 K N42 O39 -","- C576 H504 Cl3 Cu54 K3 N126 O117 -","3","0.333333","","Chen, Zilu; Shen, Yanling; Li, Lingling; Zou, Hua-Hong; Fu, Xiaoxiao; Liu, Ziyuan; Wang, Kai; Liang, Fupei","High-nuclearity heterometallic clusters with both anion and cation sandwiched by planar cluster units: synthesis, structure and properties","Dalton Trans.","2017","","","","","10.1039/C7DT02881D","","","0.71073","MoKα","","0.0566","0.0402","","","0.0939","0.1052","","","","","","1.045","","","","has coordinates","201876","2020-10-21","18:00:00",""
"7044451","17.885","0.009","10.312","0.005","19.369","0.01","90","","115.481","0.011","90","","3225","3","100","2","100","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C36 H49 B N P -","- C36 H49 B N P -","- C144 H196 B4 N4 P4 -","4","1","","Dasgupta, Rajarshi; Panda, Atanu; Pal, Shiv; Veetil Muhasina, Puthan; De, Susmita; Parameswaran, Pattiyil; Khan, Shabana","Catalyst Free Boron Carbon Bond Cleavage and Facile Formation of Five-membered PNBCC Heterocycles","Dalton Trans.","2017","","","","","10.1039/C7DT03565A","","","0.71073","MoKα","","0.0546","0.0413","","","0.1033","0.1119","","","","","","1.022","","","","has coordinates","201877","2020-10-21","18:00:00",""
"7044452","10.6838","0.0012","12.185","0.0012","17.8138","0.0018","75.008","0.004","76.864","0.004","89.922","0.003","2177.4","0.4","100","2","100","2","","","","","","","","6","P -1","-P 1","2","","","","- C49 H63 B N O4 P -","- C49 H63 B N O4 P -","- C98 H126 B2 N2 O8 P2 -","2","1","","Dasgupta, Rajarshi; Panda, Atanu; Pal, Shiv; Veetil Muhasina, Puthan; De, Susmita; Parameswaran, Pattiyil; Khan, Shabana","Catalyst Free Boron Carbon Bond Cleavage and Facile Formation of Five-membered PNBCC Heterocycles","Dalton Trans.","2017","","","","","10.1039/C7DT03565A","","","1.54178","CuKα","","0.0545","0.0467","","","0.1156","0.121","","","","","","1.003","","","","has coordinates","201877","2020-10-21","18:00:00",""
"7044453","18.4589","0.0007","10.3146","0.0004","24.4094","0.0009","90","","104.138","0.002","90","","4506.7","0.3","100","2","100","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C44 H59 B N O4 P -","- C44 H59 B N O4 P -","- C176 H236 B4 N4 O16 P4 -","4","1","","Dasgupta, Rajarshi; Panda, Atanu; Pal, Shiv; Veetil Muhasina, Puthan; De, Susmita; Parameswaran, Pattiyil; Khan, Shabana","Catalyst Free Boron Carbon Bond Cleavage and Facile Formation of Five-membered PNBCC Heterocycles","Dalton Trans.","2017","","","","","10.1039/C7DT03565A","","","1.54178","CuKα","","0.1683","0.0922","","","0.2031","0.2323","","","","","","1.039","","","","has coordinates","201877","2020-10-21","18:00:00",""
"7044454","10.4222","0.0003","16.7411","0.0006","14.0517","0.0005","90","","102.744","0.001","90","","2391.33","0.14","150","2","150","2","","","","","","","synthesis as described","7","P 1 21/n 1","-P 2yn","14","","","","- C30 H60 Ca2 F12 N4 O4 Si4 -","- C30 H60 Ca2 F12 N4 O4 Si4 -","- C60 H120 Ca4 F24 N8 O8 Si8 -","2","0.5","","Rosca, Sorin-Claudiu; Dorcet, Vincent; Roisnel, Thierry; Carpentier, Jean-Francois; Sarazin, Yann","Tethered cationic alkaline earth - olefin complexes","Dalton Trans.","2017","","","","","10.1039/C7DT03300A","","x-ray","0.71073","MoKα","","0.0743","0.0489","","","0.11","0.1255","","","","","","1.052","","","","has coordinates,has disorder","201878","2020-10-21","18:00:00",""
"7044455","10.5669","0.0006","17.1007","0.0009","13.9454","0.0008","90","","102.799","0.002","90","","2457.3","0.2","150","2","150","2","","","","","","","synthesis as described","7","P 1 21/n 1","-P 2yn","14","","","","- C30 H60 F12 N4 O4 Si4 Sr2 -","- C30 H60 F12 N4 O4 Si4 Sr2 -","- C60 H120 F24 N8 O8 Si8 Sr4 -","2","0.5","","Rosca, Sorin-Claudiu; Dorcet, Vincent; Roisnel, Thierry; Carpentier, Jean-Francois; Sarazin, Yann","Tethered cationic alkaline earth - olefin complexes","Dalton Trans.","2017","","","","","10.1039/C7DT03300A","","x-ray","0.71073","MoKα","","0.082","0.0432","","","0.0929","0.1093","","","","","","1.015","","","","has coordinates,has disorder","201878","2020-10-21","18:00:00",""
"7044456","11.8244","0.0012","14.3892","0.0014","31.655","0.003","90","","93.679","0.003","90","","5374.8","0.9","150","","150","","","","","","","","synthesis as described","8","P 1 21/c 1","-P 2ybc","14","","","","- C96 H44 B4 Cl4 F72 N4 O6 Sr2 -","- C96 H44 B4 Cl4 F72 N4 O6 Sr2 -","- C192 H88 B8 Cl8 F144 N8 O12 Sr4 -","2","0.5","","Rosca, Sorin-Claudiu; Dorcet, Vincent; Roisnel, Thierry; Carpentier, Jean-Francois; Sarazin, Yann","Tethered cationic alkaline earth - olefin complexes","Dalton Trans.","2017","","","","","10.1039/C7DT03300A","","x-ray","0.71073","MoKα","","0.2113","0.088","","","0.1961","0.2312","","","","","","1.049","","","","has coordinates,has disorder","201878","2020-10-21","18:00:00",""
"7044457","9.1588","0.0007","16.8364","0.0013","17.1146","0.0013","62.604","0.001","80.33","0.002","89.692","0.001","2302","0.3","296","2","296","2","","","","","","","","7","P -1","-P 1","2","","","","- C51 H36 F10 Ir N6 O2 P -","- C51 H36 F10 Ir N6 O2 P -","- C102 H72 F20 Ir2 N12 O4 P2 -","2","1","","Gao, Tao-Bao; Qu, Zhong-Ze; Tang, Zhe; Cao, Deng-Ke","Cyclometalated Ir(III) complexes incorporating photoactive anthracene-based ligand: syntheses, crystal structures and luminescence switching by light irradiation","Dalton Trans.","2017","","","","","10.1039/C7DT02967E","","","0.71073","MoKα","","0.0655","0.0469","","","0.1094","0.1156","","","","","","1.032","","","","has coordinates","201904","2020-10-21","18:00:00",""
"7044458","13.0563","0.0008","13.9709","0.0009","26.8378","0.0017","90","","99.594","0.002","90","","4827","0.5","296","2","296","2","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C54 H44 F6 Ir N6 O3 P -","- C54 H44 F6 Ir N6 O3 P -","- C216 H176 F24 Ir4 N24 O12 P4 -","4","1","","Gao, Tao-Bao; Qu, Zhong-Ze; Tang, Zhe; Cao, Deng-Ke","Cyclometalated Ir(III) complexes incorporating photoactive anthracene-based ligand: syntheses, crystal structures and luminescence switching by light irradiation","Dalton Trans.","2017","","","","","10.1039/C7DT02967E","","","0.71073","MoKα","","0.0669","0.0414","","","0.1044","0.1168","","","","","","1.016","","","","has coordinates,has disorder","201904","2020-10-21","18:00:00",""
"7044459","9.7925","0.0001","11.2833","0.0001","15.4471","0.0002","77.119","0.001","84.032","0.001","71.116","0.001","1573.33","0.03","100","0.1","100","0.1","","","","","","","","6","P -1","-P 1","2","","","","- C23 H23 Cl5 N6 O Ru2 -","- C23 H23 Cl5 N6 O Ru2 -","- C46 H46 Cl10 N12 O2 Ru4 -","2","1","","Urgiles, Julie; Nathan, Sarah R.; MacMillan, Samantha N.; Wilson, Justin J.","Dinuclear nitrido-bridged ruthenium complexes bearing diimine ligands","Dalton Trans.","2017","","","","","10.1039/C7DT03085A","","x-ray","0.71073","MoKα","","0.0185","0.017","","","0.0407","0.0413","","","","","","1.015","","","","has coordinates","201905","2020-10-21","18:00:00",""
"7044460","12.2823","0.0003","12.516","0.0002","15.2094","0.0002","98.498","0.001","106.815","0.002","111.247","0.002","2000.61","0.08","100.01","0.1","100.01","0.1","","","","","","","","6","P -1","-P 1","2","","","","- C27 H31 Cl5 N6 O5 Ru2 -","- C27 H31 Cl5 N6 O5 Ru2 -","- C54 H62 Cl10 N12 O10 Ru4 -","2","1","","Urgiles, Julie; Nathan, Sarah R.; MacMillan, Samantha N.; Wilson, Justin J.","Dinuclear nitrido-bridged ruthenium complexes bearing diimine ligands","Dalton Trans.","2017","","","","","10.1039/C7DT03085A","","x-ray","1.54184","CuKα","","0.0272","0.0257","","","0.0698","0.0708","","","","","","1.075","","","","has coordinates","201905","2020-10-21","18:00:00",""
"7044461","33.678","0.007","22.527","0.005","19.532","0.004","90","","123.92","0.03","90","","12296","6","103","2","103","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C40 H24 N2 O8 Zn2 -","- C40 H24 N2 O8 Zn2 -","- C320 H192 N16 O64 Zn16 -","8","1","","Ma, Yunsheng; Harada, Yuki; Hori, Akihiro; Hijikata, Yuh; Li, Liangchun; Matsuda, Ryotaro","Tuning the Flexibility of Interpenetrated Frameworks by Small Difference in Fluorene Moiety","Dalton Trans.","2017","","","","","10.1039/C7DT03338A","","","0.71073","MoKα","","0.0712","0.0628","","","0.2027","0.2137","","","","","","1.052","","","","has coordinates,has disorder","201906","2020-10-21","18:00:00",""
"7044462","13.848","0.003","22.187","0.004","19.784","0.004","90","","102.6","0.03","90","","5932","2","103","2","103","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C40 H20 N2 O10 Zn2 -","- C40 H20 N2 O10 Zn2 -","- C160 H80 N8 O40 Zn8 -","4","1","","Ma, Yunsheng; Harada, Yuki; Hori, Akihiro; Hijikata, Yuh; Li, Liangchun; Matsuda, Ryotaro","Tuning the Flexibility of Interpenetrated Frameworks by Small Difference in Fluorene Moiety","Dalton Trans.","2017","","","","","10.1039/C7DT03338A","","","0.71073","MoKα","","0.0534","0.0499","","","0.1454","0.1474","","","","","","1.082","","","","has coordinates","201906","2020-10-21","18:00:00",""
"7044463","5.8624","0.0007","9.1815","0.0011","19.916","0.002","83.927","0.003","88.007","0.003","78.591","0.003","1044.8","0.2","150","2","150","2","","","","","","","","5","P -1","-P 1","2","","","","- C46 H42 Co N4 O16 -","- C46 H42 Co N4 O16 -","- C46 H42 Co N4 O16 -","1","0.5","","Grigolo, Thiago Augusto; Denofre, Silvia; Manarin, Flavia G.; Botteselle, Giancarlo; Amaral, Alexandra Aparecida; Brandao, Paula; Campos, Elvio Antonio de","Catalytic Properties of a Cobalt Metal-Organic Framework with a Zwitterionic Ligand Synthesized In Situ","Dalton Trans.","2017","","","","","10.1039/C7DT03364H","","","0.71073","MoKα","","0.0643","0.0577","","","0.1422","0.147","","","","","","1.046","","","","has coordinates","201962","2020-10-21","18:00:00",""
"7044464","21.1804","0.0013","13.6888","0.0008","30.6866","0.0014","90","","133.15","0.003","90","","6491","0.7","100","2","100","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C41 H43 Cu5 F24 N14 O13 -","- C41 H43 Cu5 F24 N14 O13 -","- C164 H172 Cu20 F96 N56 O52 -","4","1","","Fritzsche, Julia Christina; Denysenko, Dmytro; Grzywa, Maciej; Volkmer, Dirk","CFA-13 - a bifunctional perfluorinated metal-organic framework featuring active Cu(I) and Cu(II) sites","Dalton Trans.","2017","","","","","10.1039/C7DT02512B","","","0.71073","MoKα","","0.0864","0.056","","","0.1558","0.172","","","","","","1.156","","","","has coordinates,has disorder","201963","2020-10-21","18:00:00",""
"7044465","17.348","0.002","17.421","0.002","32.242","0.004","105.359","0.006","94.534","0.006","108.89","0.006","8743.9","1.9","200","2","200","2","","","","","","","","7","P -1","-P 1","2","","","","- C131.5 H130 B8 Co4 Cs Fe4 N85 -","- C131.5 H130 B8 Co4 Cs Fe4 N85 -","- C263 H260 B16 Co8 Cs2 Fe8 N170 -","2","1","","Jiménez, Juan-Ramón; Tricoire, Maxime; Garnier, Delphine; Chamoreau, Lise-Marie; von Bardeleben, Jurgen; Journaux, Yves; Li, Yanling; lescouezec, rodrigue","A new {Fe4Co4} soluble switchable nanomagnet encapsulating Cs+: enhancing the stability, the redox flexibility and tuning the photomagnetic effect.","Dalton Trans.","2017","","","","","10.1039/C7DT02989F","","","0.71073","MoKα","","0.1131","0.0907","","","0.2222","0.2343","","","","","","1.142","","","","has coordinates,has disorder","201964","2020-10-21","18:00:00",""
"7044466","18.3978","0.0004","23.225","0.0005","26.4301","0.0007","111.241","0.002","99.224","0.002","106.691","0.002","9630.5","0.5","175","","175","","","","","","","","","7","P -1","-P 1","2","","","","- C169 H240 F25 N24 O29 P4 Pd2 -","- C169 H240 F25 N24 O29 P4 Pd2 -","- C338 H480 F50 N48 O58 P8 Pd4 -","2","1","","Li, Yuhao; Zhang, Yan; Legrand, Yves-Marie; Van der Lee, Arie; Jiang, Ji-Jun; Chen, Cheng-Xia; Su, Cheng-Yong; Barboiu, Mihail","Hydrophobic metallo-supramolecular Pd2L4 Cages for zwitterionic guest encapsulation in organic solvents","Dalton Trans.","2017","","","","","10.1039/C7DT03517A","","","0.71073","MoKα","","0.0874","0.0613","","0.083","0.0693","0.0693","","","","","","1.1334","","","","has coordinates","201965","2020-10-21","18:00:00",""
"7044467","19.2335","0.0004","21.0093","0.0005","23.2406","0.0005","64.366","0.002","86.1457","0.0017","65.272","0.002","7615.9","0.4","150","","150","","","","","","","","","6","P -1","-P 1","2","","","","- C96 H94 N24 O12 Pd2 S4 -","- C96 H94 N24 O12 Pd2 S4 -","- C192 H188 N48 O24 Pd4 S8 -","2","1","","Li, Yuhao; Zhang, Yan; Legrand, Yves-Marie; Van der Lee, Arie; Jiang, Ji-Jun; Chen, Cheng-Xia; Su, Cheng-Yong; Barboiu, Mihail","Hydrophobic metallo-supramolecular Pd2L4 Cages for zwitterionic guest encapsulation in organic solvents","Dalton Trans.","2017","","","","","10.1039/C7DT03517A","","","1.5418","CuKα","","0.0759","0.0654","","0.0744","0.0673","0.0673","","","","","","1.1233","","","","has coordinates","201965","2020-10-21","18:00:00",""
"7044468","8.0717","0.0003","16.6471","0.0006","19.9993","0.0007","90","","109.831","0.003","90","","2527.95","0.17","293","2","293","2","","","","","","","","5","P 1 2/c 1","-P 2yc","13","","","","- C59 H38 Eu2 N6 O14 -","- C59 H38 Eu2 N6 O14 -","- C118 H76 Eu4 N12 O28 -","2","0.5","","Qin, Jian-Hua; Wang, Huarui; Han, Min-Le; chang, Xin-Hong; ma, lufang","pH-stable Eu- and Tb-organic-frameworks mediated by ionic liquid for aqueous-phase detection of 2,4,6-trinitrophenol (TNP)","Dalton Trans.","2017","","","","","10.1039/C7DT03433D","","","0.71073","MoKα","","0.0399","0.0294","","","0.0586","0.0633","","","","","","1.027","","","","has coordinates","202013","2020-10-21","18:00:00",""
"7044469","8.0636","0.0008","16.5777","0.0017","20.0148","0.0019","90","","110.015","0.003","90","","2513.9","0.4","296","2","296.15","","","","","","","","","5","P 1 2/c 1","-P 2yc","13","","","","- C59 H38 N6 O14 Tb2 -","- C59 H38 N6 O14 Tb2 -","- C118 H76 N12 O28 Tb4 -","2","0.5","","Qin, Jian-Hua; Wang, Huarui; Han, Min-Le; chang, Xin-Hong; ma, lufang","pH-stable Eu- and Tb-organic-frameworks mediated by ionic liquid for aqueous-phase detection of 2,4,6-trinitrophenol (TNP)","Dalton Trans.","2017","","","","","10.1039/C7DT03433D","","","0.71073","MoKα","","0.0515","0.0433","","","0.091","0.0938","","","","","","1.194","","","","has coordinates","202013","2020-10-21","18:00:00",""
"7044470","9.883","0.005","12.408","0.006","12.678","0.006","80.594","0.009","67.786","0.007","87.367","0.008","1419.7","1.2","296","2","296","2","","","","","","","","7","P -1","-P 1","2","","","","- C20 H32 B10 Cl2 Ir N S -","- C20 H32 B10 Cl2 Ir N S -","- C40 H64 B20 Cl4 Ir2 N2 S2 -","2","1","","Jin, Guo-Xin; Cui, Peng-Fei; Lin, Yue-Jian","Synthesis and Reactivity of 16-electron Half-Sandwich Iridium Complexes Bearing a Carboranylthioamide Ligand","Dalton Trans.","2017","","","","","10.1039/C7DT03529B","","","0.71073","MoKα","","0.1164","0.0573","","","0.1115","0.1459","","","","","","1.004","","","","has coordinates","202043","2020-10-21","18:00:00",""
"7044471","12.227","0.0015","26.087","0.003","9.741","0.0012","90","","109.654","0.002","90","","2926","0.6","173","2","173","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C20 H33 B10 Cl3 Ir N S -","- C20 H33 B10 Cl3 Ir N S -","- C80 H132 B40 Cl12 Ir4 N4 S4 -","4","1","","Jin, Guo-Xin; Cui, Peng-Fei; Lin, Yue-Jian","Synthesis and Reactivity of 16-electron Half-Sandwich Iridium Complexes Bearing a Carboranylthioamide Ligand","Dalton Trans.","2017","","","","","10.1039/C7DT03529B","","","0.71073","MoKα","","0.073","0.0434","","","0.093","0.102","","","","","","1.1","","","","has coordinates","202043","2020-10-21","18:00:00",""
"7044472","10.0392","0.0002","12.9768","0.0002","24.0642","0.0005","90","","90","","90","","3135","0.1","173","2","173","2","","","","","","","","7","P 21 21 21","P 2ac 2ab","19","","","","- C25 H36 B10 Ir N O4 S -","- C25 H36 B10 Ir N O4 S -","- C100 H144 B40 Ir4 N4 O16 S4 -","4","1","","Jin, Guo-Xin; Cui, Peng-Fei; Lin, Yue-Jian","Synthesis and Reactivity of 16-electron Half-Sandwich Iridium Complexes Bearing a Carboranylthioamide Ligand","Dalton Trans.","2017","","","","","10.1039/C7DT03529B","","","1.54178","CuKα","","0.019","0.0179","","","0.04","0.0412","","","","","","1.104","","","","has coordinates","202043","2020-10-21","18:00:00",""
"7044473","12.2564","0.001","12.986","0.0011","18.7275","0.0015","96.006","0.001","96.197","0.001","98.62","0.001","2907.6","0.4","223","2","223","2","","","","","","","","7","P -1","-P 1","2","","","","- C20 H32.5 B10 Cl3.5 Ir N S -","- C20 H32.5 B10 Cl3.5 Ir N S -","- C80 H130 B40 Cl14 Ir4 N4 S4 -","4","2","","Jin, Guo-Xin; Cui, Peng-Fei; Lin, Yue-Jian","Synthesis and Reactivity of 16-electron Half-Sandwich Iridium Complexes Bearing a Carboranylthioamide Ligand","Dalton Trans.","2017","","","","","10.1039/C7DT03529B","","","0.71073","MoKα","","0.0874","0.0465","","","0.1057","0.1394","","","","","","1.039","","","","has coordinates","202043","2020-10-21","18:00:00",""
"7044474","12.9711","0.0017","24.739","0.004","24.982","0.003","90","","90","","90","","8016.5","1.9","296","2","296","2","","","","","","","","6","C m c 21","C 2c -2","36","","","","- C35 H58 B10 N Rh2 S -","- C29 H44 B10 N Rh2 S -","- C232 H352 B80 N8 Rh16 S8 -","8","1","","Jin, Guo-Xin; Cui, Peng-Fei; Lin, Yue-Jian","Synthesis and Reactivity of 16-electron Half-Sandwich Iridium Complexes Bearing a Carboranylthioamide Ligand","Dalton Trans.","2017","","","","","10.1039/C7DT03529B","","","0.71073","MoKα","","0.0911","0.0498","","","0.1209","0.149","","","","","","1.008","","","","has coordinates","202043","2020-10-21","18:00:00",""
"7044475","12.4951","0.0019","13.98","0.002","20.222","0.003","90","","90.973","0.003","90","","3531.9","0.9","223","2","223","2","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C25 H40 B10 Cl3 Ir N2 S -","- C25 H40 B10 Cl3 Ir N2 S -","- C100 H160 B40 Cl12 Ir4 N8 S4 -","4","1","","Jin, Guo-Xin; Cui, Peng-Fei; Lin, Yue-Jian","Synthesis and Reactivity of 16-electron Half-Sandwich Iridium Complexes Bearing a Carboranylthioamide Ligand","Dalton Trans.","2017","","","","","10.1039/C7DT03529B","","","0.71073","MoKα","","0.0543","0.0352","","","0.0953","0.1079","","","","","","1.062","","","","has coordinates","202043","2020-10-21","18:00:00",""
"7044476","5.476","0.01","8.331","0.015","5.787","0.007","90","","90","","90","","264","0.7","293","","293","","14800000","","","","","","","2","P b c n","-P 2n 2ab","60","","","","- Ag F2 -","- Ag F2 -","- Ag8 F16 -","8","1","","Grzelak, A.; Gawraczyński, J.; Jaroń, T.; Kurzydłowski, D.; Mazej, Z.; Leszczyński, P. J.; Prakapenka, V. B.; Derzsi, M.; Struzhkin, V. V.; Grochala, W.","Metal fluoride nanotubes featuring square-planar building blocks in a high-pressure polymorph of AgF2","Dalton Trans.","2017","","","","","10.1039/C7DT03178E","powder diffraction","x-ray","0.4113","","","0.0228","0.0216","","0.0238","0.0225","","","","0.5","","","","","","","has coordinates","202044","2020-10-21","18:00:00",""
"7044477","12.215","0.004","7.845","0.003","12.172","0.004","90","","107.323","0.015","90","","1113.5","0.7","298","2","298","2","","","","","","","","5","C 1 c 1","C -2yc","9","","","","- B4 H15 N3 O10 Zn -","- B4 H15 N3 O10 Zn -","- B16 H60 N12 O40 Zn4 -","4","1","","Imer, Marcos Ramón; González, Mariana Estefani; Veiga, Nicolás; Kremer, Carlos; Suescun, Leopoldo; Arizaga, Livia","Synthesis, structural characterization and scalable preparation of new amino-zinc borates.","Dalton Trans.","2017","","","","","10.1039/C7DT03186F","","","0.71073","MoKα","","0.0384","0.0312","","","0.0707","0.0738","","","","","","1.069","","","","has coordinates","202045","2020-10-21","18:00:00",""
"7044478","15.0796","0.0009","11.8853","0.0005","16.7606","0.0008","90","","90","","90","","3003.9","0.3","298","2","298","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- B4 H24 N4 O13 Zn -","- B4 H24 N4 O13 Zn -","- B32 H192 N32 O104 Zn8 -","8","1","","Imer, Marcos Ramón; González, Mariana Estefani; Veiga, Nicolás; Kremer, Carlos; Suescun, Leopoldo; Arizaga, Livia","Synthesis, structural characterization and scalable preparation of new amino-zinc borates.","Dalton Trans.","2017","","","","","10.1039/C7DT03186F","","","0.71073","MoKα","","0.0421","0.0298","","","0.0658","0.0725","","","","","","1.059","","","","has coordinates","202045","2020-10-21","18:00:00",""
"7044479","8.7755","0.0009","13.4717","0.0014","15.1412","0.0015","78.884","0.005","77.789","0.005","72.824","0.005","1655.1","0.3","190","2","190.15","","","","","","","","","7","P -1","-P 1","2","","","","- C38 H26 Cl N2 O3 Re S2 -","- C38 H26 Cl N2 O3 Re S2 -","- C76 H52 Cl2 N4 O6 Re2 S4 -","2","1","","Gabr, Moustafa T.; Pigge, Chris","Rhenium tricarbonyl complexes of AIE active tetraarylethylene ligands: tuning luminescence properties and HSA-specific binding","Dalton Trans.","2017","","","","","10.1039/C7DT03380J","","","0.71073","MoKα","","0.0217","0.0185","","","0.0398","0.0408","","","","","","1.056","","","","has coordinates,has disorder","202046","2020-10-21","18:00:00",""
"7044480","14.285","0.004","10.242","0.003","28.482","0.007","90","","90","","90","","4167","2","120","2","120","2","","","","","","","","5","P c a 21","P 2c -2ac","29","","","","- C17 H31 B9 Ni Ru -","- C17 H31 B9 Ni Ru -","- C136 H248 B72 Ni8 Ru8 -","8","2","","Perekalin, Dmitry S.; Lyssenko, Konstantin A.; Kudinov, Alexander R.; Corsini, Maddalena; Fabrizi de Biani, Fabrizia","Synthesis of 13-vertex Dimetallacarboranes by Electrophilic Insertion into 12-vertex Ruthenacarboranes","Dalton Trans.","2017","","","","","10.1039/C7DT03504G","","","0.71073","MoKα","","0.0514","0.0419","","","0.09","0.0938","","","","","","1.142","","","","has coordinates,has disorder","202047","2020-10-21","18:00:00",""
"7044481","8.2693","0.0009","14.9393","0.0016","20.259","0.002","90","","100.603","0.002","90","","2460","0.4","110","2","110","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C20 H38 B9 Co Ru -","- C20 H38 B9 Co Ru -","- C80 H152 B36 Co4 Ru4 -","4","1","","Perekalin, Dmitry S.; Lyssenko, Konstantin A.; Kudinov, Alexander R.; Corsini, Maddalena; Fabrizi de Biani, Fabrizia","Synthesis of 13-vertex Dimetallacarboranes by Electrophilic Insertion into 12-vertex Ruthenacarboranes","Dalton Trans.","2017","","","","","10.1039/C7DT03504G","","","0.71073","MoKα","","0.1365","0.0545","","","0.1115","0.1284","","","","","","0.952","","","","has coordinates","202047","2020-10-21","18:00:00",""
"7044482","14.8188","0.001","11.4372","0.0008","21.096","0.0014","90","","108.061","0.001","90","","3399.3","0.4","293","2","293","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C29 H39 Cl3 F6 Ir N2 P -","- C29 H39 Cl3 F6 Ir N2 P -","- C116 H156 Cl12 F24 Ir4 N8 P4 -","4","1","","Li, Juanjuan; Guo, Lihua; Tian, Zhenzhen; Tian, Meng; zhang, shumiao; Xu, Ke; Qian, Yuchuan; Liu, Zhe","Novel half-sandwich iridium(III) imino-pyridyl complexes showing remarkable in vitro anticancer activity","Dalton Trans.","2017","","","","","10.1039/C7DT03265J","","","0.71073","MoKα","","0.0576","0.0357","","","0.0918","0.1016","","","","","","1.036","","","","has coordinates","202090","2020-10-21","18:00:00",""
"7044483","23.899","0.002","18.6385","0.0017","21.6505","0.0019","90","","112.431","0.003","90","","8914.4","1.4","298","2","298","2","","","","","","","","7","C 1 2/c 1","-C 2yc","15","","","","- C39 H43 Cl F6 Ir N2 P -","- C39 H43 Cl F6 Ir N2 P -","- C312 H344 Cl8 F48 Ir8 N16 P8 -","8","1","","Li, Juanjuan; Guo, Lihua; Tian, Zhenzhen; Tian, Meng; zhang, shumiao; Xu, Ke; Qian, Yuchuan; Liu, Zhe","Novel half-sandwich iridium(III) imino-pyridyl complexes showing remarkable in vitro anticancer activity","Dalton Trans.","2017","","","","","10.1039/C7DT03265J","","","0.71073","MoKα","","0.119","0.057","","","0.1149","0.1248","","","","","","1.011","","","","has coordinates,has disorder","202090","2020-10-21","18:00:00",""
"7044484","14.0362","0.0007","29.3317","0.0014","32.4846","0.0016","90","","90","","90","","13374.1","1.1","293","2","293","2","","","","","","","","8","A e a 2","A 2 -2ab","41","","","","- C29.5 H41 Cl2 F6 Ir N2 O0.5 P -","- C29.5 H41 Cl2 F6 Ir N2 O0.5 P -","- C472 H656 Cl32 F96 Ir16 N32 O8 P16 -","16","2","","Li, Juanjuan; Guo, Lihua; Tian, Zhenzhen; Tian, Meng; zhang, shumiao; Xu, Ke; Qian, Yuchuan; Liu, Zhe","Novel half-sandwich iridium(III) imino-pyridyl complexes showing remarkable in vitro anticancer activity","Dalton Trans.","2017","","","","","10.1039/C7DT03265J","","","0.71073","MoKα","","0.0612","0.0435","","","0.0974","0.1051","","","","","","1.001","","","","has coordinates","206489","2020-10-21","18:00:00",""
"7044485","20.97417","0.00014","7.20756","0.00003","13.12202","0.00006","90","","90","","90","","1983.69","0.018","303","","303","","","","","","","","","4","P b c a","-P 2ac 2ab","61","Cu(CH3-COO)2*2Cu'(OH)2*0H2O, 1-2-0 phase","","","- C4 H10 Cu3 O8 -","- C4 Cu3 O8 -","- C32 Cu24 O64 -","8","1","","Bette, Sebastian; Kremer, Reinhard; Eggert, Gerhard; Tang, Chiu; Dinnebier, Robert E.","On Verdigris, Part I: Synthesis, Crystal Structure Solution and Characterization of the 1-2-0 phase (Cu3(CH3COO)2(OH)4)","Dalton Trans.","2017","","","","","10.1039/C7DT03288A","powder diffraction","x-ray","0.826","synchrotron","","","","","","","","0.0412","","","","","","","","","has coordinates","202091","2020-10-21","18:00:00",""
"7044486","14.4086","0.0004","16.7714","0.0004","20.7859","0.0006","90","","107.319","0.002","90","","4795.2","0.2","296","2","296","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C32 H72 Dy N7 O15 -","- C32 H72 Dy N7 O15 -","- C128 H288 Dy4 N28 O60 -","4","1","","Chen, Lei; Zhou, JianJun; Yuan, Aihua; Song, You","Slow Magnetic Relaxation in Luminescent Mononuclear Dysprosium(III) and Erbium(III) Pentanitrate Complexes with the Same LnO10 Coordination Geometry","Dalton Trans.","2017","","","","","10.1039/C7DT02905E","","","0.71073","MoKα","","0.1164","0.0498","","","0.1099","0.1409","","","","","","1.119","","","","has coordinates,has disorder","202092","2020-10-21","18:00:00",""
"7044487","14.427","0.006","16.805","0.006","20.761","0.008","90","","107.422","0.004","90","","4803","3","296","2","296","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C32 H72 Er N7 O15 -","- C32 H72 Er N7 O15 -","- C128 H288 Er4 N28 O60 -","4","1","","Chen, Lei; Zhou, JianJun; Yuan, Aihua; Song, You","Slow Magnetic Relaxation in Luminescent Mononuclear Dysprosium(III) and Erbium(III) Pentanitrate Complexes with the Same LnO10 Coordination Geometry","Dalton Trans.","2017","","","","","10.1039/C7DT02905E","","","0.71073","MoKα","","0.1011","0.0551","","","0.1509","0.2039","","","","","","1.069","","","","has coordinates,has disorder","202092","2020-10-21","18:00:00",""
"7044488","19.452","0.001","8.797","0.001","18.022","0.002","90","","99.56","0.01","90","","3041.1","0.5","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C24 H28 Ce Cl3 O14 -","- C24 H26 Ce Cl3 O14 -","- C96 H104 Ce4 Cl12 O56 -","4","1","","Xu, Xiu ling; Hu, Fan; Shuai, Qi","Facile synthesis of highly biocompatible folic acid-functionalized SiO2 encapsulated rare-earth metal complexes nanoparticles and its application on targeted metal-based complex delivery","Dalton Trans.","2017","","","","","10.1039/C7DT03000B","","","0.71073","MoKα","","0.0337","0.0247","","","0.0665","0.078","","","","","","1.097","","","","has coordinates,has disorder","202142","2020-10-21","18:00:00",""
"7044489","14.528","0.003","9.303","0.002","39.895","0.007","90","","90","","90","","5392","1.9","298","2","298","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C48 H48 Cl6 Er2 O24 -","- C48 H48 Cl6 Er2 O24 -","- C192 H192 Cl24 Er8 O96 -","4","0.5","","Xu, Xiu ling; Hu, Fan; Shuai, Qi","Facile synthesis of highly biocompatible folic acid-functionalized SiO2 encapsulated rare-earth metal complexes nanoparticles and its application on targeted metal-based complex delivery","Dalton Trans.","2017","","","","","10.1039/C7DT03000B","","","0.71073","MoKα","","0.1166","0.0972","","","0.1981","0.2067","","","","","","1.16","","","","has coordinates","202142","2020-10-21","18:00:00",""
"7044490","14.565","0.003","9.341","0.002","40.155","0.008","90","","90","","90","","5463","2","298","2","298","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C48 H48 Cl6 Ho2 O24 -","- C48 H48 Cl6 Ho2 O24 -","- C192 H192 Cl24 Ho8 O96 -","4","0.5","","Xu, Xiu ling; Hu, Fan; Shuai, Qi","Facile synthesis of highly biocompatible folic acid-functionalized SiO2 encapsulated rare-earth metal complexes nanoparticles and its application on targeted metal-based complex delivery","Dalton Trans.","2017","","","","","10.1039/C7DT03000B","","","0.71073","MoKα","","0.0794","0.0715","","","0.2484","0.2557","","","","","","1.11","","","","has coordinates","202142","2020-10-21","18:00:00",""
"7044491","9.9898","0.0008","36.886","0.003","8.4551","0.0007","90","","108.174","0.001","90","","2960.1","0.4","298","2","298","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C24 H26 Cl3 O13 Pr -","- C24 H26 Cl3 O13 Pr -","- C96 H104 Cl12 O52 Pr4 -","4","1","","Xu, Xiu ling; Hu, Fan; Shuai, Qi","Facile synthesis of highly biocompatible folic acid-functionalized SiO2 encapsulated rare-earth metal complexes nanoparticles and its application on targeted metal-based complex delivery","Dalton Trans.","2017","","","","","10.1039/C7DT03000B","","","0.71073","MoKα","","0.0408","0.0348","","","0.1041","0.1121","","","","","","1.145","","","","has coordinates","202142","2020-10-21","18:00:00",""
"7044492","7.836","0.002","12.718","0.004","13.981","0.001","81.3","0.05","79.29","0.05","77.24","0.05","1326.4","0.6","298","2","298","2","","","","","","","","5","P -1","-P 1","2","","","","- C48 H40 Cl6 O20 Sm2 -","- C48 H40 Cl6 O20 Sm2 -","- C48 H40 Cl6 O20 Sm2 -","1","0.5","","Xu, Xiu ling; Hu, Fan; Shuai, Qi","Facile synthesis of highly biocompatible folic acid-functionalized SiO2 encapsulated rare-earth metal complexes nanoparticles and its application on targeted metal-based complex delivery","Dalton Trans.","2017","","","","","10.1039/C7DT03000B","","","0.71073","MoKα","","0.0682","0.056","","","0.1609","0.1694","","","","","","1.065","","","","has coordinates","202142","2020-10-21","18:00:00",""
"7044493","26.3408","0.0009","14.8489","0.0005","27.2678","0.0014","90","","113.459","0.005","90","","9783.8","0.8","150","2","150","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C51.75 H58.5 N2 O14 Tb -","- C36.75 H30.5 O10 Tb -","- C294 H244 O80 Tb8 -","8","1","","Gong, Yun-Nan; Wei, Xue-Wen; Deng, Ji-Hua; Zhong, Di-Chang; Pan, Chun-Yang","Photochromism, photoluminescence modulation and selective recognition of small molecules of two highly stable dynamic metal‒organic frameworks","Dalton Trans.","2017","","","","","10.1039/C7DT03783J","","","1.54178","CuKα","","0.0747","0.0639","","","0.1872","0.1955","","","","","","1.06","","","","has coordinates,has disorder","202143","2020-10-21","18:00:00",""
"7044494","27.329","0.002","13.2671","0.0014","26.0537","0.0019","90","","113.565","0.009","90","","8658.7","1.4","293","2","293","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C31 H61.5 Eu N2.5 O23.5 -","- C27.68 H24.03 Eu N1.67 O8.2 -","- C221.44 H192.24 Eu8 N13.36 O65.6 -","8","1","","Gong, Yun-Nan; Wei, Xue-Wen; Deng, Ji-Hua; Zhong, Di-Chang; Pan, Chun-Yang","Photochromism, photoluminescence modulation and selective recognition of small molecules of two highly stable dynamic metal‒organic frameworks","Dalton Trans.","2017","","","","","10.1039/C7DT03783J","","","1.54178","CuKα","","0.0802","0.0524","","","0.1361","0.1508","","","","","","0.984","","","","has coordinates,has disorder","202143","2020-10-21","18:00:00",""
"7044495","25.683","0.003","16.2849","0.0015","26.745","0.002","90","","112.951","0.012","90","","10300.5","1.9","150","2","150","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C31 H71.5 Eu N2.5 O28.5 -","- C25 H20 Eu N O8 -","- C200 H160 Eu8 N8 O64 -","8","1","","Gong, Yun-Nan; Wei, Xue-Wen; Deng, Ji-Hua; Zhong, Di-Chang; Pan, Chun-Yang","Photochromism, photoluminescence modulation and selective recognition of small molecules of two highly stable dynamic metal‒organic frameworks","Dalton Trans.","2017","","","","","10.1039/C7DT03783J","","","1.54178","CuKα","","0.0924","0.0703","","","0.1884","0.2036","","","","","","0.965","","","","has coordinates,has disorder","202143","2020-10-21","18:00:00",""
"7044496","18.4035","0.0004","10.1646","0.0002","11.8559","0.0003","90","","90.215","0.001","90","","2217.8","0.09","100","2","100","2","","","","","","","","3","C 1 2/c 1","-C 2yc","15","","","","- C30 H24 V2 -","- C30 H24 V2 -","- C120 H96 V8 -","4","0.5","","Heck, Jurgen; Puhl, Sarah; Steenbock, Torben; Harms, Reentje; Herrmann, Carmen","Synthesis, Characterization and Magnetic Properties of Head-to-Head Stacked Vanadocenes","Dalton Trans.","2017","","","","","10.1039/C7DT03101G","","","0.71073","MoKα","","0.0315","0.0274","","","0.0697","0.0729","","","","","","1.031","","","","has coordinates","202144","2020-10-21","18:00:00",""
"7044497","8.1826","0.0001","10.4231","0.0002","11.7182","0.0002","90","","104.37","","90","","968.15","0.03","100","2","100","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C18 H26 Cl2 O2 V2 -","- C18 H26 Cl2 O2 V2 -","- C36 H52 Cl4 O4 V4 -","2","0.5","","Heck, Jurgen; Puhl, Sarah; Steenbock, Torben; Harms, Reentje; Herrmann, Carmen","Synthesis, Characterization and Magnetic Properties of Head-to-Head Stacked Vanadocenes","Dalton Trans.","2017","","","","","10.1039/C7DT03101G","","","0.71073","MoKα","","0.0312","0.0283","","","0.07","0.072","","","","","","1.037","","","","has coordinates","202144","2020-10-21","18:00:00",""
"7044498","7.1606","0.0019","7.799","0.003","9.722","0.003","96.29","0.03","92.89","0.02","113.31","0.03","493","0.3","293","2","293","2","","","","","","","Recrystallisation from mother liquore (MeOH-H2O) at 6 deg. C","5","P -1","-P 1","2","","","","- C10 H16 Cu2 N16 O2 -","- C10 H16 Cu2 N16 O2 -","- C10 H16 Cu2 N16 O2 -","1","0.5","","Pandey, Priyanka; Kharediya, Bhagwan; El Rez, Bahjat; Sutter, Jean-Pascal; govindaraju, bhargavi; M V, Rajasekharan; Sunkari, Sailaja S.","Ligand Directed Structural Diversity and Magnetism in Copper(II)-Azido Assemblies with Isomeric Aminopyridines: Synthesis, Structure, Magnetism and Theoretical studies","Dalton Trans.","2017","","","","","10.1039/C7DT03115G","","","0.71073","MoKα","","0.0365","0.0314","","","0.0719","0.0763","","","","","","1.064","","","","has coordinates","202168","2020-10-21","18:00:00",""
"7044499","5.196","0.0008","9.092","0.0014","10.1992","0.0014","104.243","0.012","91.165","0.012","100.198","0.013","458.61","0.12","293","2","293","2","","","","","","","","4","P -1","-P 1","2","","","","- C5 H6 Cu N8 -","- C5 H6 Cu N8 -","- C10 H12 Cu2 N16 -","2","1","","Pandey, Priyanka; Kharediya, Bhagwan; El Rez, Bahjat; Sutter, Jean-Pascal; govindaraju, bhargavi; M V, Rajasekharan; Sunkari, Sailaja S.","Ligand Directed Structural Diversity and Magnetism in Copper(II)-Azido Assemblies with Isomeric Aminopyridines: Synthesis, Structure, Magnetism and Theoretical studies","Dalton Trans.","2017","","","","","10.1039/C7DT03115G","","","0.71073","MoKα","","0.0657","0.0561","","","0.1402","0.1532","","","","","","1.025","","","","has coordinates","202168","2020-10-21","18:00:00",""
"7044500","12.3425","0.0016","3.5983","0.0004","30.836","0.004","90","","91.174","0.014","90","","1369.2","0.3","293","2","293","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C10 H12 Cu N10 -","- C10 H12 Cu N10 -","- C40 H48 Cu4 N40 -","4","1","","Pandey, Priyanka; Kharediya, Bhagwan; El Rez, Bahjat; Sutter, Jean-Pascal; govindaraju, bhargavi; M V, Rajasekharan; Sunkari, Sailaja S.","Ligand Directed Structural Diversity and Magnetism in Copper(II)-Azido Assemblies with Isomeric Aminopyridines: Synthesis, Structure, Magnetism and Theoretical studies","Dalton Trans.","2017","","","","","10.1039/C7DT03115G","","","0.71073","MoKα","","0.1226","0.0946","","","0.2287","0.2533","","","","","","1.205","","","","has coordinates","202168","2020-10-21","18:00:00",""
"7044501","15.3165","0.0009","6.0322","0.0004","23.3287","0.0016","90","","94.287","0.006","90","","2149.4","0.2","293","2","293","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C10 H12 Cu3 N22 -","- C10 H12 Cu3 N22 -","- C40 H48 Cu12 N88 -","4","1","","Pandey, Priyanka; Kharediya, Bhagwan; El Rez, Bahjat; Sutter, Jean-Pascal; govindaraju, bhargavi; M V, Rajasekharan; Sunkari, Sailaja S.","Ligand Directed Structural Diversity and Magnetism in Copper(II)-Azido Assemblies with Isomeric Aminopyridines: Synthesis, Structure, Magnetism and Theoretical studies","Dalton Trans.","2017","","","","","10.1039/C7DT03115G","","","0.71073","MoKα","","0.0985","0.0563","","","0.0939","0.1089","","","","","","1.031","","","","has coordinates","202168","2020-10-21","18:00:00",""
"7044502","8.8432","0.0003","12.3352","0.0005","16.4088","0.0007","104","0.002","93.868","0.001","96.855","0.001","1715.69","0.12","100","2","100","2","","","","","","","","6","P -1","-P 1","2","","","","- C35 H39.5 Cl2 N2.5 Pd Ti -","- C35 H39.5 Cl2 N2.5 Pd Ti -","- C70 H79 Cl4 N5 Pd2 Ti2 -","2","1","","Vieira, Noah Christopher; Pienkos, Jared A.; McMillen, Colin; Myers, Alexis R.; Clay, Alyssa Paige; Wagenknecht, Paul S.","A trans-bidentate bis-pyridinyl ligand with a transition metal hinge","Dalton Trans.","2017","","","","","10.1039/C7DT03252H","","","0.71073","MoKα","","0.052","0.0376","","","0.1009","0.11","","","","","","1.042","","","","has coordinates,has disorder","202169","2020-10-21","18:00:00",""
"7044503","10.3807","0.0012","16.385","0.002","16.9043","0.0019","90","","101.544","0.004","90","","2817.1","0.6","100","2","100","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C34 H38 N2 Ti -","- C34 H38 N2 Ti -","- C136 H152 N8 Ti4 -","4","1","","Vieira, Noah Christopher; Pienkos, Jared A.; McMillen, Colin; Myers, Alexis R.; Clay, Alyssa Paige; Wagenknecht, Paul S.","A trans-bidentate bis-pyridinyl ligand with a transition metal hinge","Dalton Trans.","2017","","","","","10.1039/C7DT03252H","","","0.71073","MoKα","","0.0893","0.0684","","","0.1756","0.1922","","","","","","1.06","","","","has coordinates,has disorder","202169","2020-10-21","18:00:00",""
"7044504","14.5015","0.0007","15.9769","0.0008","15.0401","0.0007","90","","105.672","0.002","90","","3355.1","0.3","100","2","100","2","","","","","","","","8","P 1 21/n 1","-P 2yn","14","","","","- C34 H40 Cu F6 N2 O P Ti -","- C34 H40 Cu F6 N2 O P Ti -","- C136 H160 Cu4 F24 N8 O4 P4 Ti4 -","4","1","","Vieira, Noah Christopher; Pienkos, Jared A.; McMillen, Colin; Myers, Alexis R.; Clay, Alyssa Paige; Wagenknecht, Paul S.","A trans-bidentate bis-pyridinyl ligand with a transition metal hinge","Dalton Trans.","2017","","","","","10.1039/C7DT03252H","","","0.71073","MoKα","","0.0353","0.0289","","","0.0802","0.0937","","","","","","1.173","","","","has coordinates,has disorder","202169","2020-10-21","18:00:00",""
"7044505","16.989","0.002","17.111","0.002","22.479","0.003","68.741","0.002","80.57","0.002","63.397","0.002","5445.2","1.2","150","2","150","2","","","","","","","","7","P -1","-P 1","2","","","","- C68 H158 Cl2 Fe3 Gd2 N50 O9.5 -","- C66.5 H154 Cl Fe3 Gd2 N50 O9 -","- C133 H308 Cl2 Fe6 Gd4 N100 O18 -","2","1","","Schmidt, Sebastian; Merkel, Marcel; Kostakis, George E.; Buth, Gernot; Anson, Christopher; Powell, Annie K.","SMM Behaviour and Magnetocaloric Effect in Heterometallic 3d-4f Coordination Clusters with High Azide:Metal Ratios","Dalton Trans.","2017","","","","","10.1039/C7DT03149A","","","0.80039","synchrotron","","0.0352","0.0292","","","0.0731","0.0755","","","","","","1.052","","","","has coordinates,has disorder","202170","2020-10-21","18:00:00",""
"7044506","12.5608","0.001","17.3752","0.0014","23.586","0.002","90","","92.353","0.006","90","","5143.2","0.7","173","2","173.15","","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C57 H49 Cl4 O P3 Ru Si -","- C57 H49 Cl4 O P3 Ru Si -","- C228 H196 Cl16 O4 P12 Ru4 Si4 -","4","1","","Whited, Matthew T.; Zhang, Jia; Ma, Senjie; Nguyen, Binh D.; Janzen, Daron E.","Silylene-assisted hydride transfer to CO2 and CS2 at a [P2Si]Ru pincer-type complex","Dalton Trans.","2017","","","","","10.1039/C7DT03659K","","","0.71075","MoKα","","0.0768","0.0489","","","0.0921","0.1008","","","","","","1.026","","","","has coordinates","202239","2020-10-21","18:00:00",""
"7044507","13.1211","0.0017","13.5719","0.0018","17.21","0.002","108.22","0.008","103.018","0.007","94.303","0.007","2801","0.6","173","2","173.15","","","","","","","","","8","P -1","-P 1","2","","","","- C63 H52 F3 O4 P3 Ru S Si -","- C63 H52 F3 O4 P3 Ru S Si -","- C126 H104 F6 O8 P6 Ru2 S2 Si2 -","2","1","","Whited, Matthew T.; Zhang, Jia; Ma, Senjie; Nguyen, Binh D.; Janzen, Daron E.","Silylene-assisted hydride transfer to CO2 and CS2 at a [P2Si]Ru pincer-type complex","Dalton Trans.","2017","","","","","10.1039/C7DT03659K","","","0.71075","MoKα","","0.0999","0.0607","","","0.1287","0.1446","","","","","","1.022","","","","has coordinates","202239","2020-10-21","18:00:00",""
"7044508","28.135","0.0019","17.6566","0.0012","29.6568","0.0019","90","","105.892","0.002","90","","14169.5","1.6","123","2","122.99","","","","","","","","","9","C 1 2/c 1","-C 2yc","15","","","","- C56 H44 B6 Cl6 O P3 Ru S2 Si -","- C56 H44 B6 Cl6 O P3 Ru S2 Si -","- C448 H352 B48 Cl48 O8 P24 Ru8 S16 Si8 -","8","1","","Whited, Matthew T.; Zhang, Jia; Ma, Senjie; Nguyen, Binh D.; Janzen, Daron E.","Silylene-assisted hydride transfer to CO2 and CS2 at a [P2Si]Ru pincer-type complex","Dalton Trans.","2017","","","","","10.1039/C7DT03659K","","","0.71073","MoKα","","0.0923","0.0642","","","0.1537","0.1699","","","","","","1.026","","","","has coordinates","202239","2020-10-21","18:00:00",""
"7044509","14.5606","0.0005","15.3131","0.0005","18.0023","0.0008","79.962","0.003","84.904","0.003","84.146","0.003","3921.5","0.3","130.01","0.1","130.01","0.1","","","","","","","","9","P -1","-P 1","2","Cu3CS2H","Cu3CS2H","","- C76.94 H71.88 B Cl4 Cu3 F4.05 N4 P6 S2 -","- C76.937 H71.942 B Cl4 Cu3 F4.05 N4 P6 S2 -","- C153.874 H143.884 B2 Cl8 Cu6 F8.1 N8 P12 S4 -","2","1","","Ma, Howard Z.; Li, Jiaye; Canty, Allan J.; O'Hair, Richard A. J.","Cluster transformation of [Cu3(μ3-H)(μ3-BH4)((PPh2)2NH)3](BF4) to [Cu3(μ3-H)(μ2,μ1-S2CH)((PPh2)2NH)3](BF4) via reaction with CS2. X-ray structural characterisation and reactivity of cationic clusters explored by multistage mass spectrometry and computational studies","Dalton Trans.","2017","","","","","10.1039/C7DT03510A","","x-ray","1.54184","CuKα","","0.0676","0.0487","","","0.1149","0.1261","","","","","","1.003","","","","has coordinates,has disorder","202240","2020-10-21","18:00:00",""
"7044510","14.4605","0.0008","10.4594","0.0005","18.737","0.001","90","0.005","111.925","0.007","90","0.005","2629","0.3","150","0.1","150","0.1","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C26 H24 Mn N2 O13 -","- C26 H18 Mn N2 O13 -","- C104 H72 Mn4 N8 O52 -","4","1","","Mercier, Nicolas; Leblanc, Antonin; Allain, Magali; Dul, Marie-Claire; WEBER, Guy; Geoffroy, Nicolas; Bellat, Jean Pierre; Bezverkhyy, Igor","A robust Viologen and Mn-based porous coordination polymer with two types of Lewis acid sites providing high affinity for H2O, CO2 and NH3","Dalton Trans.","2017","","","","","10.1039/C7DT03541A","","x-ray","1.54184","CuKα","","0.0929","0.0718","","","0.1933","0.2087","","","","","","1.008","","","","has coordinates","202260","2020-10-21","18:00:00",""
"7044511","8.6184","0.0007","23.503","0.002","8.0444","0.0007","90","","114.128","0.004","90","","1487.1","0.2","296","2","296","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","[Zn2(SO3)2(C2O4)0.5(C6N2H13)].(H2O)2","","- C7 H17 N2 O10 S2 Zn2 -","- C7 H13 N2 O10 S2 Zn2 -","- C28 H52 N8 O40 S8 Zn8 -","4","1","","Behera, Jogendra Nath; Tiwari, Ranjay K.; Kumar, Jitendra","Organically-Templated Inorganic-Organic Hybrid Metal (Zn and Cd) Sulphite-Oxalates with Layered and Three-Dimensional Structures","Dalton Trans.","2017","","","","","10.1039/C7DT03073H","","","0.71073","MoKα","","0.0317","0.0254","","","0.0629","0.0651","","","","","","1.048","","","","has coordinates","202261","2020-10-21","18:00:00",""
"7044512","6.2237","0.0002","8.0397","0.0003","16.7299","0.0006","86.119","0.002","87.147","0.003","71.784","0.002","792.97","0.05","100","2","100","2","","","","","","","","6","P -1","-P 1","2","","Cadmium Sulfite-Oxalate Piperazine","","- C6 H16 Cd2 N2 O12 S2 -","- C6 H16.0066 Cd2 N2 O12 S2 -","- C12 H32.0132 Cd4 N4 O24 S4 -","2","1","","Behera, Jogendra Nath; Tiwari, Ranjay K.; Kumar, Jitendra","Organically-Templated Inorganic-Organic Hybrid Metal (Zn and Cd) Sulphite-Oxalates with Layered and Three-Dimensional Structures","Dalton Trans.","2017","","","","","10.1039/C7DT03073H","","","0.71073","MoKα","","0.0449","0.0364","","","0.0893","0.0938","","","","","","1.036","","","","has coordinates,has disorder","202261","2020-10-21","18:00:00",""
"7044513","11.091","0.002","11.091","0.002","8.915","0.001","90","","90","","90","","1096.6","0.3","100","2","100","2","","","","","","","","6","P 42/m n m","-P 4n 2n","136","","[C4N2H12]0.5[Zn2(SO3)2(C2O4)0.5(H2O)2]","","- C3 H10 N O10 S2 Zn2 -","- C3 H10 N O10 S2 Zn2 -","- C12 H40 N4 O40 S8 Zn8 -","4","0.25","","Behera, Jogendra Nath; Tiwari, Ranjay K.; Kumar, Jitendra","Organically-Templated Inorganic-Organic Hybrid Metal (Zn and Cd) Sulphite-Oxalates with Layered and Three-Dimensional Structures","Dalton Trans.","2017","","","","","10.1039/C7DT03073H","","","0.71073","MoKα","","0.0584","0.046","","","0.0839","0.0878","","","","","","1.13","","","","has coordinates","202261","2020-10-21","18:00:00",""
"7044514","10.5095","0.0002","12.0198","0.0003","13.0933","0.0002","90","","90","","90","","1653.97","0.06","100","2","100","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C14 H20 Au Cl N2 O2 -","- C14 H20 Au Cl N2 O2 -","- C56 H80 Au4 Cl4 N8 O8 -","4","1","","Bertrand, Benoît; Romanov, Alexander S.; Brooks, Mark; Schmidt, Claudia; Ott, Ingo; O'Connell, Maria Anne; Bochmann, Manfred","Synthesis, Structure and Cytotoxicity of Cyclic (Alkyl)(Amino) Carbene and Acyclic Carbene Complexes of Group 11 metals","Dalton Trans.","2017","","","","","10.1039/C7DT03189K","","","0.71075","MoKα","","0.0275","0.0256","","","0.055","0.0557","","","","","","1.027","","","","has coordinates","202262","2020-10-21","18:00:00",""
"7044515","13.6153","0.0002","12.576","0.0002","16.6816","0.0003","90","","106.059","0.002","90","","2744.86","0.08","140","0.8","140","0.8","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C20 H32 Au Cl2 F6 N5 P2 -","- C20 H32 Au Cl2 F6 N5 P2 -","- C80 H128 Au4 Cl8 F24 N20 P8 -","4","1","","Bertrand, Benoît; Romanov, Alexander S.; Brooks, Mark; Schmidt, Claudia; Ott, Ingo; O'Connell, Maria Anne; Bochmann, Manfred","Synthesis, Structure and Cytotoxicity of Cyclic (Alkyl)(Amino) Carbene and Acyclic Carbene Complexes of Group 11 metals","Dalton Trans.","2017","","","","","10.1039/C7DT03189K","","","0.71073","MoKα","","0.0264","0.0234","","","0.0579","0.0596","","","","","","1.041","","","","has coordinates,has disorder","202262","2020-10-21","18:00:00",""
"7044516","7.3404","0.0002","13.3484","0.0003","14.7732","0.0004","90","","102.267","0.002","90","","1414.47","0.06","140.1","0.6","140.1","0.6","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C13 H18 Au Cl N2 -","- C13 H18 Au Cl N2 -","- C52 H72 Au4 Cl4 N8 -","4","1","","Bertrand, Benoît; Romanov, Alexander S.; Brooks, Mark; Schmidt, Claudia; Ott, Ingo; O'Connell, Maria Anne; Bochmann, Manfred","Synthesis, Structure and Cytotoxicity of Cyclic (Alkyl)(Amino) Carbene and Acyclic Carbene Complexes of Group 11 metals","Dalton Trans.","2017","","","","","10.1039/C7DT03189K","","","0.71073","MoKα","","0.0218","0.0205","","","0.0536","0.0544","","","","","","1.051","","","","has coordinates,has disorder","202262","2020-10-21","18:00:00",""
"7044517","9.9471","0.0003","26.0651","0.0008","13.5998","0.0005","90","","95.681","0.003","90","","3508.7","0.2","140","0.1","140","0.1","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C36 H48 Au F6 N2 Sb -","- C36 H48 Au F6 N2 Sb -","- C144 H192 Au4 F24 N8 Sb4 -","4","1","","Bertrand, Benoît; Romanov, Alexander S.; Brooks, Mark; Schmidt, Claudia; Ott, Ingo; O'Connell, Maria Anne; Bochmann, Manfred","Synthesis, Structure and Cytotoxicity of Cyclic (Alkyl)(Amino) Carbene and Acyclic Carbene Complexes of Group 11 metals","Dalton Trans.","2017","","","","","10.1039/C7DT03189K","","","0.71073","MoKα","","0.0257","0.0211","","","0.0431","0.0441","","","","","","1.047","","","","has coordinates","202262","2020-10-21","18:00:00",""
"7044518","9.7273","0.0003","13.1815","0.0003","30.9171","0.0011","90","","91.749","0.004","90","","3962.4","0.2","99.9","0.2","99.9","0.2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C40 H57 Au F6 N3 Sb -","- C40 H57 Au F6 N3 Sb -","- C160 H228 Au4 F24 N12 Sb4 -","4","1","","Bertrand, Benoît; Romanov, Alexander S.; Brooks, Mark; Schmidt, Claudia; Ott, Ingo; O'Connell, Maria Anne; Bochmann, Manfred","Synthesis, Structure and Cytotoxicity of Cyclic (Alkyl)(Amino) Carbene and Acyclic Carbene Complexes of Group 11 metals","Dalton Trans.","2017","","","","","10.1039/C7DT03189K","","","0.71073","MoKα","","0.0289","0.0269","","","0.0628","0.0638","","","","","","1.041","","","","has coordinates,has disorder","202262","2020-10-21","18:00:00",""
"7044519","12.0876","0.0002","9.4395","0.0001","13.5065","0.0002","90","","114.107","0.002","90","","1406.7","0.04","100","0.1","100","0.1","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C10 H20 Au Cl N2 O2 -","- C10 H20 Au Cl N2 O2 -","- C40 H80 Au4 Cl4 N8 O8 -","4","1","","Bertrand, Benoît; Romanov, Alexander S.; Brooks, Mark; Schmidt, Claudia; Ott, Ingo; O'Connell, Maria Anne; Bochmann, Manfred","Synthesis, Structure and Cytotoxicity of Cyclic (Alkyl)(Amino) Carbene and Acyclic Carbene Complexes of Group 11 metals","Dalton Trans.","2017","","","","","10.1039/C7DT03189K","","","0.71073","MoKα","","0.0132","0.0125","","","0.0274","0.0278","","","","","","0.892","","","","has coordinates","202262","2020-10-21","18:00:00",""
"7044520","13.6373","0.0016","18.2263","0.0018","18.3369","0.0019","109.09","0.003","93.332","0.004","102.372","0.004","4166.3","0.8","100","","100","","","","","","","","","6","P -1","-P 1","2","","","","- C87 H55 B F24 Ir P3 -","- C87 H55 B F24 Ir P3 -","- C174 H110 B2 F48 Ir2 P6 -","2","1","","Sung, Simon; Young, Rowan Drury","Facile generation of iridium PCcarbeneP pincer complexes via water elimination from an alcohol proligand","Dalton Trans.","2017","","","","","10.1039/C7DT03690F","","","0.71073","MoKα","","0.0929","0.0751","","0.1987","0.182","0.1986","","","","","","1.0048","","","","has coordinates","202290","2020-10-21","18:00:00",""
"7044521","32.741","0.002","18.6304","0.0011","9.7858","0.0006","90","","90","","90","","5969.1","0.6","100","","100","","","","","","","","","5","F d d 2","F 2 -2d","43","","","","- C37 H28 Cl Ir P2 -","- C37 H28 Cl Ir P2 -","- C296 H224 Cl8 Ir8 P16 -","8","0.5","","Sung, Simon; Young, Rowan Drury","Facile generation of iridium PCcarbeneP pincer complexes via water elimination from an alcohol proligand","Dalton Trans.","2017","","","","","10.1039/C7DT03690F","","","0.71073","MoKα","","0.0264","0.025","","0.0678","0.0664","0.0678","","","","","","1.0037","","","","has coordinates","202290","2020-10-21","18:00:00",""
"7044522","10.5803","0.0009","13.0617","0.0014","15.0671","0.0017","90.099","0.003","99.829","0.003","112.011","0.004","1897.2","0.3","100","","100","","","","","","","","","6","P -1","-P 1","2","","","","- C46 H43 Cl2 Ir O P2 -","- C46 H43 Cl2 Ir O P2 -","- C92 H86 Cl4 Ir2 O2 P4 -","2","1","","Sung, Simon; Young, Rowan Drury","Facile generation of iridium PCcarbeneP pincer complexes via water elimination from an alcohol proligand","Dalton Trans.","2017","","","","","10.1039/C7DT03690F","","","0.71073","MoKα","","0.0395","0.0327","","0.0788","0.0762","0.0788","","","","","","1.09","","","","has coordinates","202290","2020-10-21","18:00:00",""
"7044523","12.8273","0.0006","17.8318","0.0008","18.1429","0.0007","61.9894","0.0014","78.92","0.0014","87.8968","0.0017","3588.6","0.3","100","1","100","1","","","","","","","","6","P -1","-P 1","2","","","","- C80 H59 B F24 Ir P2 -","- C80 H59 B F24 Ir P2 -","- C160 H118 B2 F48 Ir2 P4 -","2","1","","Sung, Simon; Young, Rowan Drury","Facile generation of iridium PCcarbeneP pincer complexes via water elimination from an alcohol proligand","Dalton Trans.","2017","","","","","10.1039/C7DT03690F","","","0.71073","MoKα","","0.049","0.0405","","0.0891","0.086","0.0891","","","","","","1.0409","","","","has coordinates","202290","2020-10-21","18:00:00",""
"7044524","20.144","0.002","20.626","0.002","21.132","0.003","104.677","0.003","100.375","0.003","95.711","0.003","8257","1.6","100","","100","","","","","","","","","6","P -1","-P 1","2","","","","- C87 H73 B F24 Ir P3 -","- C87 H73 B F24 Ir P3 -","- C348 H292 B4 F96 Ir4 P12 -","4","2","","Sung, Simon; Young, Rowan Drury","Facile generation of iridium PCcarbeneP pincer complexes via water elimination from an alcohol proligand","Dalton Trans.","2017","","","","","10.1039/C7DT03690F","","","0.71073","MoKα","","0.1245","0.068","","0.1812","0.1435","0.1801","","","","","","1.0259","","","","has coordinates","202290","2020-10-21","18:00:00",""
"7044525","12.6314","0.0007","18.2527","0.0012","21.5647","0.0014","102.884","0.002","99.609","0.002","97.872","0.002","4699.6","0.5","100","1","100","1","","","","","","","","6","P -1","-P 1","2","","","","- C55 H45 Cl Ir O P3 -","- C55 H45 Cl Ir O P3 -","- C220 H180 Cl4 Ir4 O4 P12 -","4","2","","Sung, Simon; Young, Rowan Drury","Facile generation of iridium PCcarbeneP pincer complexes via water elimination from an alcohol proligand","Dalton Trans.","2017","","","","","10.1039/C7DT03690F","","","0.71073","MoKα","","0.1156","0.0616","","0.1455","0.118","0.1449","","","","","","0.9423","","","","has coordinates","202290","2020-10-21","18:00:00",""
"7044526","12.7542","0.0006","17.2595","0.0007","22.2988","0.001","73.992","0.0015","74.3769","0.0018","83.4459","0.0016","4539.8","0.4","100","1","100","1","","","","","","","","7","P -1","-P 1","2","","","","- C105.5 H71 B Cl F24 Ir P4 -","- C105.5 H71 B Cl F24 Ir P4 -","- C211 H142 B2 Cl2 F48 Ir2 P8 -","2","1","","Sung, Simon; Young, Rowan Drury","Facile generation of iridium PCcarbeneP pincer complexes via water elimination from an alcohol proligand","Dalton Trans.","2017","","","","","10.1039/C7DT03690F","","","0.71073","MoKα","","0.049","0.0381","","0.0862","0.0824","0.0861","","","","","","0.9832","","","","has coordinates,has disorder","202290","2020-10-21","18:00:00",""
"7044527","10.343","0.007","11.87","0.007","13.995","0.009","81.813","0.006","69.256","0.006","68.742","0.006","1497.3","1.7","293","2","293","2","","","","","","","","6","P -1","-P 1","2","Er-Bcpi-Br","","","- C34 H24 Br Er N4 O9 -","- C34 H24 Br Er N4 O9 -","- C68 H48 Br2 Er2 N8 O18 -","2","1","","Xu, Cong; Liu, Yan; Wang, Li; Ma, Jingxin; Yang, Lizi; Pan, Fu-Xing; Kirillov, Alexander M.; Liu, Wei-Sheng","New Lanthanide (III) Coordination Polymers: Synthesis, Structural Features, and Catalytic Activity in CO2 Fixation","Dalton Trans.","2017","","","","","10.1039/C7DT03574H","","","0.71073","MoKα","","0.0379","0.0308","","","0.0614","0.0638","","","","","","1.061","","","","has coordinates","202291","2020-10-21","18:00:00",""
"7044528","10.3347","0.001","11.8348","0.0008","14.1006","0.0011","82.848","0.006","68.734","0.008","68.687","0.008","1497.2","0.2","294.58","0.1","294.58","0.1","","","","","","","","6","P -1","-P 1","2","Tm-Bcpi-Cl","","","- C34 H24 Cl N4 O9 Tm -","- C34 H24 Cl N4 O9 Tm -","- C68 H48 Cl2 N8 O18 Tm2 -","2","1","","Xu, Cong; Liu, Yan; Wang, Li; Ma, Jingxin; Yang, Lizi; Pan, Fu-Xing; Kirillov, Alexander M.; Liu, Wei-Sheng","New Lanthanide (III) Coordination Polymers: Synthesis, Structural Features, and Catalytic Activity in CO2 Fixation","Dalton Trans.","2017","","","","","10.1039/C7DT03574H","","x-ray","0.71073","MoKα","","0.0343","0.0291","","","0.0572","0.0614","","","","","","1.061","","","","has coordinates","202291","2020-10-21","18:00:00",""
"7044529","10.323","0.0005","11.809","0.0005","14.089","0.0007","82.68","0.004","68.826","0.004","68.581","0.004","1490.93","0.13","293","2","293","2","","","","","","","","6","P -1","-P 1","2","Er-Bcpi-Cl","","","- C34 H24 Cl Er N4 O9 -","- C34 H24 Cl Er N4 O9 -","- C68 H48 Cl2 Er2 N8 O18 -","2","1","","Xu, Cong; Liu, Yan; Wang, Li; Ma, Jingxin; Yang, Lizi; Pan, Fu-Xing; Kirillov, Alexander M.; Liu, Wei-Sheng","New Lanthanide (III) Coordination Polymers: Synthesis, Structural Features, and Catalytic Activity in CO2 Fixation","Dalton Trans.","2017","","","","","10.1039/C7DT03574H","","","0.71073","MoKα","","0.0328","0.0287","","","0.0562","0.0599","","","","","","1.076","","","","has coordinates","202291","2020-10-21","18:00:00",""
"7044530","10.2917","0.0005","11.7702","0.0005","14.0907","0.0008","82.913","0.004","68.858","0.005","68.718","0.004","1483.37","0.14","291.89","0.1","291.89","0.1","","","","","","","","6","P -1","-P 1","2","Yb-Bcpi-Cl","","","- C34 H24 Cl N4 O9 Yb -","- C34 H24 Cl N4 O9 Yb -","- C68 H48 Cl2 N8 O18 Yb2 -","2","1","","Xu, Cong; Liu, Yan; Wang, Li; Ma, Jingxin; Yang, Lizi; Pan, Fu-Xing; Kirillov, Alexander M.; Liu, Wei-Sheng","New Lanthanide (III) Coordination Polymers: Synthesis, Structural Features, and Catalytic Activity in CO2 Fixation","Dalton Trans.","2017","","","","","10.1039/C7DT03574H","","","0.71073","MoKα","","0.0311","0.0275","","","0.0515","0.0546","","","","","","1.051","","","","has coordinates","202291","2020-10-21","18:00:00",""
"7044531","10.323","0.0005","11.809","0.0005","14.089","0.0007","82.68","0.004","68.826","0.004","68.581","0.004","1490.93","0.13","293","2","293","2","","","","","","","","6","P -1","-P 1","2","Tm-Bcpi-Br","","","- C34 H24 Br N4 O9 Tm -","- C34 H24 Br N4 O9 Tm -","- C68 H48 Br2 N8 O18 Tm2 -","2","1","","Xu, Cong; Liu, Yan; Wang, Li; Ma, Jingxin; Yang, Lizi; Pan, Fu-Xing; Kirillov, Alexander M.; Liu, Wei-Sheng","New Lanthanide (III) Coordination Polymers: Synthesis, Structural Features, and Catalytic Activity in CO2 Fixation","Dalton Trans.","2017","","","","","10.1039/C7DT03574H","","","0.71073","MoKα","","0.0432","0.0355","","","0.0632","0.0696","","","","","","1.046","","","","has coordinates","202291","2020-10-21","18:00:00",""
"7044532","10.293","0.0018","11.778","0.002","14.089","0.003","81.87","0.002","68.639","0.002","68.767","0.002","1482.6","0.5","293","2","293","2","","","","","","","","7","P -1","-P 1","2","Yb-Bcpi-Br","","","- C34 H28 Br Cl0 N4 O9 Yb -","- C34 H24 Br N4 O9 Yb -","- C68 H48 Br2 N8 O18 Yb2 -","2","1","","Xu, Cong; Liu, Yan; Wang, Li; Ma, Jingxin; Yang, Lizi; Pan, Fu-Xing; Kirillov, Alexander M.; Liu, Wei-Sheng","New Lanthanide (III) Coordination Polymers: Synthesis, Structural Features, and Catalytic Activity in CO2 Fixation","Dalton Trans.","2017","","","","","10.1039/C7DT03574H","","","0.71073","MoKα","","0.053","0.05","","","0.1427","0.1469","","","","","","1.043","","","","has coordinates","202291","2020-10-21","18:00:00",""
"7044533","10.0395","0.0002","10.969","0.0002","15.0116","0.0003","85.137","0.001","85.669","0.002","78.299","0.002","1610.06","0.06","294.6","0.1","294.6","0.1","","","","","","","","7","P -1","-P 1","2","","","","- C38 H30 Cl2 N P Pt S -","- C38 H30 Cl2 N P Pt S -","- C76 H60 Cl4 N2 P2 Pt2 S2 -","2","1","","Jamshidi, Mahboubeh; Babaghasabha, Mojgan; Shahsavari, Hamid R.; Nabavizadeh, S. Masoud","Influence of Thiolate Ligands on Luminescent Properties of Cycloplatinated(II) Complexes","Dalton Trans.","2017","","","","","10.1039/C7DT03599C","","x-ray","1.54184","CuKα","","0.0192","0.0187","","","0.0449","0.0452","","","","","","1.057","","","","has coordinates","202292","2020-10-21","18:00:00",""
"7044534","19.6231","0.0003","8.2315","0.0001","20.0833","0.0003","90","","116.938","0.002","90","","2892.02","0.09","123.01","0.1","123.01","0.1","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C36 H27 N2 P Pt S -","- C36 H27 N2 P Pt S -","- C144 H108 N8 P4 Pt4 S4 -","4","1","","Jamshidi, Mahboubeh; Babaghasabha, Mojgan; Shahsavari, Hamid R.; Nabavizadeh, S. Masoud","Influence of Thiolate Ligands on Luminescent Properties of Cycloplatinated(II) Complexes","Dalton Trans.","2017","","","","","10.1039/C7DT03599C","","x-ray","1.54184","CuKα","","0.0203","0.0183","","","0.0433","0.0442","","","","","","1.063","","","","has coordinates","202292","2020-10-21","18:00:00",""
"7044535","10.658","0.002","18.896","0.004","25.117","0.005","90","","95.19","0.03","90","","5037.7","1.8","173.15","","173.15","","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C58 H50 Br2 N2 Ni -","- C58 H50 Br2 N2 Ni -","- C232 H200 Br8 N8 Ni4 -","4","1","","Suo, Hongyi; Oleynik, Irina V.; Huang, Chuanbing; Oleynik, Ivan I.; Solan, Gregory A.; Ma, Yanping; Liang, Tongling; Sun, Wen-Hua","ortho-Cycloalkyl substituted N,N′-diaryliminoacenaphthene-Ni(ii) catalysts for polyethylene elastomers; exploring ring size and temperature effects","Dalton Trans.","2017","","","","","10.1039/C7DT03362A","","","0.71073","MoKα","","0.0545","0.0492","","","0.1079","0.1108","","","","","","1.13","","","","has coordinates","202340","2020-10-21","18:00:00",""
"7044536","10.612","0.002","18.49","0.004","25.591","0.005","90","","95","0.03","90","","5002.3","1.8","173.15","","173.15","","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C61 H58 Br2 N2 Ni O -","- C61 H58 Br2 N2 Ni O -","- C244 H232 Br8 N8 Ni4 O4 -","4","1","","Suo, Hongyi; Oleynik, Irina V.; Huang, Chuanbing; Oleynik, Ivan I.; Solan, Gregory A.; Ma, Yanping; Liang, Tongling; Sun, Wen-Hua","ortho-Cycloalkyl substituted N,N′-diaryliminoacenaphthene-Ni(ii) catalysts for polyethylene elastomers; exploring ring size and temperature effects","Dalton Trans.","2017","","","","","10.1039/C7DT03362A","","","0.71073","MoKα","","0.0518","0.0486","","","0.1225","0.1249","","","","","","1.095","","","","has coordinates","202340","2020-10-21","18:00:00",""
"7044537","10.526","0.002","17.767","0.004","27.812","0.006","90","","94.73","0.03","90","","5183.6","1.9","293","2","293","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C62 H60 Br2 N2 Ni O -","- C62 H60 Br2 N2 Ni O -","- C248 H240 Br8 N8 Ni4 O4 -","4","1","","Suo, Hongyi; Oleynik, Irina V.; Huang, Chuanbing; Oleynik, Ivan I.; Solan, Gregory A.; Ma, Yanping; Liang, Tongling; Sun, Wen-Hua","ortho-Cycloalkyl substituted N,N′-diaryliminoacenaphthene-Ni(ii) catalysts for polyethylene elastomers; exploring ring size and temperature effects","Dalton Trans.","2017","","","","","10.1039/C7DT03362A","","","0.71073","MoKα","","0.0597","0.0557","","","0.1257","0.1312","","","","","","1.221","","","","has coordinates","202340","2020-10-21","18:00:00",""
"7044538","10.987","0.002","12.5","0.003","19.151","0.004","102.42","0.03","93.7","0.03","93.95","0.03","2554","1","293","2","293","2","","","","","","","","6","P -1","-P 1","2","","","","- C61 H56 Br2 Cl2 N2 Ni -","- C61 H56 Br2 Cl2 N2 Ni -","- C122 H112 Br4 Cl4 N4 Ni2 -","2","1","","Suo, Hongyi; Oleynik, Irina V.; Huang, Chuanbing; Oleynik, Ivan I.; Solan, Gregory A.; Ma, Yanping; Liang, Tongling; Sun, Wen-Hua","ortho-Cycloalkyl substituted N,N′-diaryliminoacenaphthene-Ni(ii) catalysts for polyethylene elastomers; exploring ring size and temperature effects","Dalton Trans.","2017","","","","","10.1039/C7DT03362A","","","0.71073","MoKα","","0.0488","0.0439","","","0.1044","0.1077","","","","","","1.07","","","","has coordinates,has disorder","202340","2020-10-21","18:00:00",""
"7044539","9.791","0.0011","11.6457","0.0014","15.986","0.0018","70.372","0.002","83.572","0.002","89.257","0.002","1705.5","0.3","173","","173","","","","","","","","","5","P -1","-P 1","2","","","","- C31 H27 Cd2 N5 O11 -","- C31 H27 Cd2 N5 O11 -","- C62 H54 Cd4 N10 O22 -","2","1","","Zhang, Fang; Hou, Lei; Zhang, Wenyan; Yan, Yangtian; Wu, Yunlong; Yang, Ruifeng; Cao, Feng; Wang, Yao-Yu","Two metal‒organic frameworks based on a flexible benzimidazole carboxylic acid ligand: selective gas sorption and luminescence","Dalton Trans.","2017","","","","","10.1039/C7DT03363J","","","0.71073","MoKα","","0.0816","0.0571","","","0.1517","0.1805","","","","","","1.065","","","","has coordinates,has disorder","202341","2020-10-21","18:00:00",""
"7044540","12.148","0.007","9.069","0.005","18.047","0.01","90","","103.517","0.01","90","","1933.2","1.9","173","","173","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C13 H9 N2 O5 Zn -","- C13 H9 N2 O5 Zn -","- C52 H36 N8 O20 Zn4 -","4","1","","Zhang, Fang; Hou, Lei; Zhang, Wenyan; Yan, Yangtian; Wu, Yunlong; Yang, Ruifeng; Cao, Feng; Wang, Yao-Yu","Two metal‒organic frameworks based on a flexible benzimidazole carboxylic acid ligand: selective gas sorption and luminescence","Dalton Trans.","2017","","","","","10.1039/C7DT03363J","","","0.71073","MoKα","","0.1012","0.0726","","","0.2184","0.2619","","","","","","1.05","","","","has coordinates,has disorder","202341","2020-10-21","18:00:00",""
"7044541","9.0165","0.0006","10.2932","0.0008","15.2472","0.001","72.022","0.006","86.303","0.005","82.979","0.006","1335.35","0.17","151","2","151","2","","","","","","","","7","P -1","-P 1","2","","","","- C26 H21 Fe N2 O6 P W2 -","- C26 H21 Fe N2 O6 P W2 -","- C52 H42 Fe2 N4 O12 P2 W4 -","2","1","","Angeles Alvarez, M.; Esther García, M.; García-Vivó, Daniel; Ruiz, Miguel A.; Toyos, Adrián","Structure and dynamics of heterometallic clusters derived from addition of metal carbonyl fragments to the unsaturated hydride [W2Cp2(μ-H)(μ-PPh2)(NO)2]","Dalton Trans.","2017","","","","","10.1039/C7DT03580B","","x-ray","1.54184","CuKα","","0.1026","0.0919","","","0.238","0.2461","","","","","","1.115","","","","has coordinates","202342","2020-10-21","18:00:00",""
"7044542","9.0754","0.0005","10.9594","0.0006","14.9036","0.0006","102.888","0.004","93.925","0.004","94.326","0.005","1435.31","0.13","155","4","155","4","","","","","","","","6","P -1","-P 1","2","","","","- C27 H21 N2 O7 P W3 -","- C27 H21 N2 O7 P W3 -","- C54 H42 N4 O14 P2 W6 -","2","1","","Angeles Alvarez, M.; Esther García, M.; García-Vivó, Daniel; Ruiz, Miguel A.; Toyos, Adrián","Structure and dynamics of heterometallic clusters derived from addition of metal carbonyl fragments to the unsaturated hydride [W2Cp2(μ-H)(μ-PPh2)(NO)2]","Dalton Trans.","2017","","","","","10.1039/C7DT03580B","","x-ray","1.54184","CuKα","","0.0919","0.0847","","","0.2401","0.2649","","","","","","1.124","","","","has coordinates","202342","2020-10-21","18:00:00",""
"7044543","8.8952","0.0001","14.2981","0.0001","16.4401","0.0002","90","","93.065","0.001","90","","2087.93","0.04","153.9","0.6","153.9","0.6","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C21 H15 Co N O5 P W -","- C21 H15 Co N O5 P W -","- C84 H60 Co4 N4 O20 P4 W4 -","4","1","","Angeles Alvarez, M.; Esther García, M.; García-Vivó, Daniel; Ruiz, Miguel A.; Toyos, Adrián","Structure and dynamics of heterometallic clusters derived from addition of metal carbonyl fragments to the unsaturated hydride [W2Cp2(μ-H)(μ-PPh2)(NO)2]","Dalton Trans.","2017","","","","","10.1039/C7DT03580B","","x-ray","1.54184","CuKα","","0.0336","0.0324","","","0.0827","0.0838","","","","","","1.078","","","","has coordinates","202342","2020-10-21","18:00:00",""
"7044544","9.2375","0.0004","9.7923","0.0004","15.4405","0.0006","72.621","0.004","88.18","0.003","83.018","0.003","1323.03","0.1","152","2","152","2","","","","","","","","7","P -1","-P 1","2","","","","- C26 H20 Co N2 O6 P W2 -","- C26 H20 Co N2 O6 P W2 -","- C52 H40 Co2 N4 O12 P2 W4 -","2","1","","Angeles Alvarez, M.; Esther García, M.; García-Vivó, Daniel; Ruiz, Miguel A.; Toyos, Adrián","Structure and dynamics of heterometallic clusters derived from addition of metal carbonyl fragments to the unsaturated hydride [W2Cp2(μ-H)(μ-PPh2)(NO)2]","Dalton Trans.","2017","","","","","10.1039/C7DT03580B","","x-ray","1.54184","CuKα","","0.0582","0.0553","","","0.1417","0.1475","","","","","","1.11","","","","has coordinates","202342","2020-10-21","18:00:00",""
"7044545","7.4456","0.0002","14.2674","0.0004","24.4414","0.0007","90","","90","","90","","2596.39","0.13","173","2","173","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C11 H6 Br N2 O4 Re -","- C11 H6 Br N2 O4 Re -","- C88 H48 Br8 N16 O32 Re8 -","8","2","","Siegmund, Daniel; Lorenz, Nicole; Gothe, Yvonne; Spies, Christian; Geissler, Bastian; Prochnow, Pascal; Nuernberger, Patrick; Bandow, Julia E.; Metzler-Nolte, Nils","Benzannulated Re(i)‒NHC complexes: synthesis, photophysical properties and antimicrobial activity","Dalton Trans.","2017","","","","","10.1039/C7DT02874A","","","0.71073","MoKα","","0.0263","0.0246","","","0.0557","0.0565","","","","","","1.148","","","","has coordinates","202343","2020-10-21","18:00:00",""
"7044546","9.426","0.008","9.712","0.008","13.81","0.011","86.81","0.018","79.9","0.02","84.897","0.015","1238.7","1.8","173","2","173","2","","","","","","","","4","P -1","-P 1","2","","","","- C31 H27 N2 P -","- C31 H27 N2 P -","- C62 H54 N4 P2 -","2","1","","Siegmund, Daniel; Lorenz, Nicole; Gothe, Yvonne; Spies, Christian; Geissler, Bastian; Prochnow, Pascal; Nuernberger, Patrick; Bandow, Julia E.; Metzler-Nolte, Nils","Benzannulated Re(i)‒NHC complexes: synthesis, photophysical properties and antimicrobial activity","Dalton Trans.","2017","","","","","10.1039/C7DT02874A","","","0.71073","MoKα","","0.08","0.0683","","","0.1757","0.1932","","","","","","1.03","","","","has coordinates","202343","2020-10-21","18:00:00",""
"7044547","10.1361","0.0004","12.5694","0.0004","17.6326","0.0006","90","","92.792","0.004","90","","2243.81","0.14","173","2","173","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C21 H18 Br N4 O4 Re -","- C21 H18 Br N4 O4 Re -","- C84 H72 Br4 N16 O16 Re4 -","4","1","","Siegmund, Daniel; Lorenz, Nicole; Gothe, Yvonne; Spies, Christian; Geissler, Bastian; Prochnow, Pascal; Nuernberger, Patrick; Bandow, Julia E.; Metzler-Nolte, Nils","Benzannulated Re(i)‒NHC complexes: synthesis, photophysical properties and antimicrobial activity","Dalton Trans.","2017","","","","","10.1039/C7DT02874A","","","0.71073","MoKα","","0.0369","0.0239","","","0.0416","0.0445","","","","","","0.973","","","","has coordinates","202343","2020-10-21","18:00:00",""
"7044548","11.1298","0.0005","20.0627","0.0009","14.187","0.0006","90","","101.435","0.004","90","","3105","0.2","173","2","173","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C30 H26 Br N4 O3 Re -","- C30 H26 Br N4 O3 Re -","- C120 H104 Br4 N16 O12 Re4 -","4","1","","Siegmund, Daniel; Lorenz, Nicole; Gothe, Yvonne; Spies, Christian; Geissler, Bastian; Prochnow, Pascal; Nuernberger, Patrick; Bandow, Julia E.; Metzler-Nolte, Nils","Benzannulated Re(i)‒NHC complexes: synthesis, photophysical properties and antimicrobial activity","Dalton Trans.","2017","","","","","10.1039/C7DT02874A","","","0.71073","MoKα","","0.042","0.0289","","","0.0589","0.0635","","","","","","0.997","","","","has coordinates","202343","2020-10-21","18:00:00",""
"7044549","18.0169","0.0004","28.4257","0.0006","12.1002","0.0003","90","","99.558","0.002","90","","6111","0.2","173","2","173","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C33 H30 Br N4 O4 Re -","- C33 H30 Br N4 O4 Re -","- C264 H240 Br8 N32 O32 Re8 -","8","2","","Siegmund, Daniel; Lorenz, Nicole; Gothe, Yvonne; Spies, Christian; Geissler, Bastian; Prochnow, Pascal; Nuernberger, Patrick; Bandow, Julia E.; Metzler-Nolte, Nils","Benzannulated Re(i)‒NHC complexes: synthesis, photophysical properties and antimicrobial activity","Dalton Trans.","2017","","","","","10.1039/C7DT02874A","","","0.71073","MoKα","","0.0418","0.0303","","","0.065","0.0695","","","","","","1.092","","","","has coordinates","202343","2020-10-21","18:00:00",""
"7044550","15.8757","0.0005","19.1959","0.0005","7.0599","0.0002","90","","91.732","0.002","90","","2150.51","0.11","173","2","173","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C21 H18 Br N2 O4 Re -","- C21 H18 Br N2 O4 Re -","- C84 H72 Br4 N8 O16 Re4 -","4","1","","Siegmund, Daniel; Lorenz, Nicole; Gothe, Yvonne; Spies, Christian; Geissler, Bastian; Prochnow, Pascal; Nuernberger, Patrick; Bandow, Julia E.; Metzler-Nolte, Nils","Benzannulated Re(i)‒NHC complexes: synthesis, photophysical properties and antimicrobial activity","Dalton Trans.","2017","","","","","10.1039/C7DT02874A","","","0.71073","MoKα","","0.0233","0.0209","","","0.0501","0.0514","","","","","","1.161","","","","has coordinates","202343","2020-10-21","18:00:00",""
"7044551","28.4252","0.0015","8.7539","0.0005","23.4708","0.0014","90","","93.646","0.005","90","","5828.5","0.6","173","2","173","2","","","","","","","","7","C 1 2/c 1","-C 2yc","15","","","","- C28 H22 Br Cl2 N4 O3 Re -","- C28 H22 Br Cl2 N4 O3 Re -","- C224 H176 Br8 Cl16 N32 O24 Re8 -","8","1","","Siegmund, Daniel; Lorenz, Nicole; Gothe, Yvonne; Spies, Christian; Geissler, Bastian; Prochnow, Pascal; Nuernberger, Patrick; Bandow, Julia E.; Metzler-Nolte, Nils","Benzannulated Re(i)‒NHC complexes: synthesis, photophysical properties and antimicrobial activity","Dalton Trans.","2017","","","","","10.1039/C7DT02874A","","","0.71073","MoKα","","0.0492","0.0369","","","0.0669","0.0732","","","","","","1.133","","","","has coordinates,has disorder","202343","2020-10-21","18:00:00",""
"7044552","11.113","0.013","13.659","0.015","17.18","0.02","90","","91.82","0.017","90","","2606","5","173","2","173","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C24 H22 Br N4 O5 Re -","- C24 H22 Br N4 O5 Re -","- C96 H88 Br4 N16 O20 Re4 -","4","1","","Siegmund, Daniel; Lorenz, Nicole; Gothe, Yvonne; Spies, Christian; Geissler, Bastian; Prochnow, Pascal; Nuernberger, Patrick; Bandow, Julia E.; Metzler-Nolte, Nils","Benzannulated Re(i)‒NHC complexes: synthesis, photophysical properties and antimicrobial activity","Dalton Trans.","2017","","","","","10.1039/C7DT02874A","","","0.71073","MoKα","","0.0388","0.0348","","","0.0834","0.0861","","","","","","1.06","","","","has coordinates","202343","2020-10-21","18:00:00",""
"7044553","10.943","0.002","21.014","0.004","14.5","0.003","90","","107.75","0.03","90","","3175.6","1.2","173","2","173","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C28 H30 Br N4 O3 Re -","- C28 H30 Br N4 O3 Re -","- C112 H120 Br4 N16 O12 Re4 -","4","1","","Siegmund, Daniel; Lorenz, Nicole; Gothe, Yvonne; Spies, Christian; Geissler, Bastian; Prochnow, Pascal; Nuernberger, Patrick; Bandow, Julia E.; Metzler-Nolte, Nils","Benzannulated Re(i)‒NHC complexes: synthesis, photophysical properties and antimicrobial activity","Dalton Trans.","2017","","","","","10.1039/C7DT02874A","","","0.71073","MoKα","","0.0436","0.0323","","","0.0726","0.0818","","","","","","1.144","","","","has coordinates","202343","2020-10-21","18:00:00",""
"7044554","9.7378","0.0004","16.4348","0.0007","18.137","0.0008","90","","90","","90","","2902.6","0.2","100","2","100","2","","","","","","","","8","P 21 21 21","P 2ac 2ab","19","","","","- C23 H46 B Cl F4 N P2 Rh -","- C23 H46 B Cl F4 N P2 Rh -","- C92 H184 B4 Cl4 F16 N4 P8 Rh4 -","4","1","","Téllez, Juan; Gallen, Albert; Ferrer, Joaquina; Lahoz, Fernando J.; García-Orduña, Pilar; Riera, Antoni; Verdaguer, Xavier; Carmona, Daniel; Grabulosa, Arnald","Half-Sandwich Complexes of Ir(III), Rh(III) and Ru(II) with the MaxPhos Ligand: Metal Centred Chirality and Cyclometallation","Dalton Trans.","2017","","","","","10.1039/C7DT03327C","","","0.71073","MoKα","","0.0285","0.0267","","","0.0658","0.0672","","","","","","1.053","","","","has coordinates,has disorder","202367","2020-10-21","18:00:00",""
"7044555","10.8826","0.0006","16.1242","0.0008","17.1538","0.0008","90","","90","","90","","3010","0.3","100","2","100","2","","","","","","","","7","P 21 21 21","P 2ac 2ab","19","","","","- C23 H45 Cl F6 N P3 Ru -","- C23 H45 Cl F6 N P3 Ru -","- C92 H180 Cl4 F24 N4 P12 Ru4 -","4","1","","Téllez, Juan; Gallen, Albert; Ferrer, Joaquina; Lahoz, Fernando J.; García-Orduña, Pilar; Riera, Antoni; Verdaguer, Xavier; Carmona, Daniel; Grabulosa, Arnald","Half-Sandwich Complexes of Ir(III), Rh(III) and Ru(II) with the MaxPhos Ligand: Metal Centred Chirality and Cyclometallation","Dalton Trans.","2017","","","","","10.1039/C7DT03327C","","","0.71073","MoKα","","0.0231","0.0213","","","0.0508","0.0518","","","","","","1.034","","","","has coordinates","202367","2020-10-21","18:00:00",""
"7044556","9.7215","0.0004","16.4551","0.0007","18.1397","0.0008","90","","90","","90","","2901.8","0.2","100","2","100","2","","","","","","","","8","P 21 21 21","P 2ac 2ab","19","","","","- C23 H46 B Cl F4 Ir N P2 -","- C23 H46 B Cl F4 Ir N P2 -","- C92 H184 B4 Cl4 F16 Ir4 N4 P8 -","4","1","","Téllez, Juan; Gallen, Albert; Ferrer, Joaquina; Lahoz, Fernando J.; García-Orduña, Pilar; Riera, Antoni; Verdaguer, Xavier; Carmona, Daniel; Grabulosa, Arnald","Half-Sandwich Complexes of Ir(III), Rh(III) and Ru(II) with the MaxPhos Ligand: Metal Centred Chirality and Cyclometallation","Dalton Trans.","2017","","","","","10.1039/C7DT03327C","","","0.71073","MoKα","","0.0232","0.0218","","","0.0512","0.0517","","","","","","1.034","","","","has coordinates","202367","2020-10-21","18:00:00",""
"7044557","17.2643","0.0004","18.9646","0.0004","19.8713","0.0004","90","","99.975","0.002","90","","6407.7","0.2","293","2","293","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C104 H164 O44 Ti10 -","- C104 H164 O44 Ti10 -","- C208 H328 O88 Ti20 -","2","0.5","","Ding, Qing-Rong; Liu, Jin-Xiu; Narayanam, Nagaraju; Zhang, Lei; Zhang, Jian","Construction of molecular rectangles with titanium‒oxo clusters and rigid aromatic carboxylate ligands","Dalton Trans.","2017","","","","","10.1039/C7DT03470A","","","1.54178","CuKα","","0.0856","0.0737","","","0.2034","0.2181","","","","","","1.052","","","","has coordinates","202368","2020-10-21","18:00:00",""
"7044558","18.6395","0.0004","17.7825","0.0003","19.4352","0.0004","90","","95.404","0.002","90","","6413.3","0.2","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C104 H174 N2 O44 Ti10 -","- C104 H164 N2 O44 Ti10 -","- C208 H328 N4 O88 Ti20 -","2","0.5","","Ding, Qing-Rong; Liu, Jin-Xiu; Narayanam, Nagaraju; Zhang, Lei; Zhang, Jian","Construction of molecular rectangles with titanium‒oxo clusters and rigid aromatic carboxylate ligands","Dalton Trans.","2017","","","","","10.1039/C7DT03470A","","","1.54178","CuKα","","0.0682","0.0495","","","0.1266","0.1459","","","","","","1.017","","","","has coordinates","202368","2020-10-21","18:00:00",""
"7044559","36.5052","0.0009","36.5052","0.0009","26.8206","0.0006","90","","90","","120","","30953.4","1.3","293","2","293","2","","","","","","","","5","R -3 :H","-R 3","148","","","","- C120 H160 N2 O44 Ti10 -","- C120 H166 N2 O44 Ti10 -","- C1080 H1494 N18 O396 Ti90 -","9","0.5","","Ding, Qing-Rong; Liu, Jin-Xiu; Narayanam, Nagaraju; Zhang, Lei; Zhang, Jian","Construction of molecular rectangles with titanium‒oxo clusters and rigid aromatic carboxylate ligands","Dalton Trans.","2017","","","","","10.1039/C7DT03470A","","","1.54178","CuKα","","0.1963","0.1127","","","0.3094","0.3559","","","","","","1.053","","","","has coordinates","202368","2020-10-21","18:00:00",""
"7044560","36.3512","0.0011","36.3512","0.0011","26.7591","0.001","90","","90","","120","","30622.4","1.7","293","2","293","2","","","","","","","","4","R -3 :H","-R 3","148","","","","- C120 H158 O44 Ti10 -","- C120 H164 O44 Ti10 -","- C1080 H1476 O396 Ti90 -","9","0.5","","Ding, Qing-Rong; Liu, Jin-Xiu; Narayanam, Nagaraju; Zhang, Lei; Zhang, Jian","Construction of molecular rectangles with titanium‒oxo clusters and rigid aromatic carboxylate ligands","Dalton Trans.","2017","","","","","10.1039/C7DT03470A","","","1.54178","CuKα","","0.1343","0.1054","","","0.3356","0.3797","","","","","","1.006","","","","has coordinates","202368","2020-10-21","18:00:00",""
"7044561","18.6078","0.0002","18.5904","0.0002","15.4791","0.0002","90","","98.806","0.001","90","","5291.51","0.11","123.01","0.1","123.01","0.1","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C28 H27 N O4 P Pt Re -","- C28 H27 N O4 P Pt Re -","- C224 H216 N8 O32 P8 Pt8 Re8 -","8","2","","Molaee, Hajar; Nabavizadeh, S. Masoud; Jamshidi, Mahboubeh; Vilsmeier, Max; Pfitzner, Arno; Samandar Sangari, Mozhgan","Phosphorescent heterobimetallic complexes involving platinum(IV) and rhenium(VII) centers connected by an unsupported μ-oxido bridge","Dalton Trans.","2017","","","","","10.1039/C7DT03126B","","x-ray","1.54184","CuKα","","0.0192","0.0175","","","0.0397","0.0404","","","","","","1.079","","","","has coordinates","202369","2020-10-21","18:00:00",""
"7044562","21.8235","0.001","20.4867","0.0008","10.6023","0.0005","90","","90","","90","","4740.2","0.4","100","2","100","2","","","","","","","","5","P n m a","-P 2ac 2n","62","","","","- C49 H77 La N2 O5 -","- C49 H77 La N2 O5 -","- C196 H308 La4 N8 O20 -","4","0.5","","Ouyang, Hao; Nie, Kun; Yuan, Dan; Yao, Yingming","Synthesis of amine-bridged bis(phenolate) rare-earth metal aryloxides and their catalytic performances for the ring-opening polymerization of L-lactic acid O-carboxyanhydride and L-lactide","Dalton Trans.","2017","","","","","10.1039/C7DT03001K","","","0.71073","MoKα","","0.0399","0.0266","","","0.0553","0.0625","","","","","","1.072","","","","has coordinates","202370","2020-10-21","18:00:00",""
"7044563","15.5796","0.0011","18.2982","0.0014","18.7574","0.0018","75.61","0.015","70.403","0.014","66.585","0.013","4581.5","0.9","223","2","223","2","","","","","","","","5","P -1","-P 1","2","","","","- C180 H264 N4 O19 Y4 -","- C180 H264 N4 O19 Y4 -","- C180 H264 N4 O19 Y4 -","1","0.5","","Ouyang, Hao; Nie, Kun; Yuan, Dan; Yao, Yingming","Synthesis of amine-bridged bis(phenolate) rare-earth metal aryloxides and their catalytic performances for the ring-opening polymerization of L-lactic acid O-carboxyanhydride and L-lactide","Dalton Trans.","2017","","","","","10.1039/C7DT03001K","","","0.71075","MoKα","","0.1282","0.0804","","","0.2251","0.3046","","","","","","1.071","","","","has coordinates,has disorder","202370","2020-10-21","18:00:00",""
"7044564","12.421","0.0006","12.9473","0.0005","13.3644","0.0007","114.347","0.004","109.435","0.005","95.31","0.004","1779.3","0.18","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C74 H106 La2 N4 O10 -","- C74 H106 La2 N4 O10 -","- C74 H106 La2 N4 O10 -","1","0.5","","Ouyang, Hao; Nie, Kun; Yuan, Dan; Yao, Yingming","Synthesis of amine-bridged bis(phenolate) rare-earth metal aryloxides and their catalytic performances for the ring-opening polymerization of L-lactic acid O-carboxyanhydride and L-lactide","Dalton Trans.","2017","","","","","10.1039/C7DT03001K","","","0.71073","MoKα","","0.0438","0.0368","","","0.0875","0.0923","","","","","","1.052","","","","has coordinates","202370","2020-10-21","18:00:00",""
"7044565","15.166","0.0003","33.8032","0.0008","24.5524","0.0006","90","","101.496","0.002","90","","12334.5","0.5","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C69 H85 La N2 O5 -","- C69 H85 La N2 O5 -","- C552 H680 La8 N16 O40 -","8","2","","Ouyang, Hao; Nie, Kun; Yuan, Dan; Yao, Yingming","Synthesis of amine-bridged bis(phenolate) rare-earth metal aryloxides and their catalytic performances for the ring-opening polymerization of L-lactic acid O-carboxyanhydride and L-lactide","Dalton Trans.","2017","","","","","10.1039/C7DT03001K","","","0.71073","MoKα","","0.0692","0.0447","","","0.0936","0.1055","","","","","","1.06","","","","has coordinates,has disorder","202370","2020-10-21","18:00:00",""
"7044566","20.7098","0.0011","20.7098","0.0011","27.0998","0.0016","90","","90","","90","","11623","1.1","293","2","293","2","","","","","","","","6","I 41/a","-I 4ad","88","","","","- C26 H20 Cl2 Cu N6 O9.5 -","- C26 H20 Cl2 Cu N6 O9.5 -","- C416 H320 Cl32 Cu16 N96 O152 -","16","","","Sethuraman, Muthuramalingam; Khamrang, Themmila; Velusamy, Marappan; Ramasamy, Mayilmurugan","Catalytic fixation of atmospheric carbon dioxide by copper(II) complexes of bidentate ligands","Dalton Trans.","2017","","","","","10.1039/C7DT03062B","","","0.71073","MoKα","","0.1496","0.0858","","","0.2371","0.292","","","","","","1.032","","","","has coordinates","202390","2020-10-21","18:00:00",""
"7044567","8.0993","0.0006","10.3092","0.0006","11.0759","0.0008","96.292","0.005","107.07","0.007","108.306","0.006","818.32","0.11","273","2","273","2","","","","","","","","5","P -1","-P 1","2","","","","- C15 H18 Cu N2 O7 -","- C15 H18 Cu N2 O7 -","- C30 H36 Cu2 N4 O14 -","2","1","","Sethuraman, Muthuramalingam; Khamrang, Themmila; Velusamy, Marappan; Ramasamy, Mayilmurugan","Catalytic fixation of atmospheric carbon dioxide by copper(II) complexes of bidentate ligands","Dalton Trans.","2017","","","","","10.1039/C7DT03062B","","","0.71073","MoKα","","0.0649","0.0537","","","0.1255","0.1333","","","","","","1.059","","","","has coordinates","202390","2020-10-21","18:00:00",""
"7044568","14.5802","0.0011","14.7784","0.0008","14.3077","0.0011","90","","114.588","0.009","90","","2803.4","0.4","293","2","293","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C30 H26 Cl Cu N6 O4 -","- C30 H26 Cl Cu N6 O4 -","- C120 H104 Cl4 Cu4 N24 O16 -","4","0.5","","Sethuraman, Muthuramalingam; Khamrang, Themmila; Velusamy, Marappan; Ramasamy, Mayilmurugan","Catalytic fixation of atmospheric carbon dioxide by copper(II) complexes of bidentate ligands","Dalton Trans.","2017","","","","","10.1039/C7DT03062B","","","0.71073","MoKα","","0.0898","0.0757","","","0.2196","0.2349","","","","","","1.022","","","","has coordinates","202390","2020-10-21","18:00:00",""
"7044569","9.1376","0.0011","14.5702","0.0017","15.7911","0.0018","90","","90.838","0.003","90","","2102.1","0.4","301","2","301","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C40 H62 Cl4 Fe2 N2 -","- C40 H62 Cl4 Fe2 N2 -","- C80 H124 Cl8 Fe4 N4 -","2","0.5","","Zhang, Yanpeng; Mei, Tao; Yang, Dawei; Zhang, Yixin; Wang, Baomin; Qu, Jingping","Synthesis and reactivity of thiolate-bridged multi-iron complexes supported by cyclic (alkyl)(amino)carbene","Dalton Trans.","2017","","","","","10.1039/C7DT03353B","","","0.71073","MoKα","","0.1048","0.057","","","0.1539","0.1674","","","","","","1.049","","","","has coordinates","202391","2020-10-21","18:00:00",""
"7044570","9.202","0.0007","10.7924","0.001","12.676","0.001","85.581","0.004","72.995","0.004","78.723","0.004","1180.33","0.17","233","2","233","2","","","","","","","","6","P -1","-P 1","2","","","","- C44 H72 Br2 Fe2 N2 S2 -","- C44 H72 Br2 Fe2 N2 S2 -","- C44 H72 Br2 Fe2 N2 S2 -","1","0.5","","Zhang, Yanpeng; Mei, Tao; Yang, Dawei; Zhang, Yixin; Wang, Baomin; Qu, Jingping","Synthesis and reactivity of thiolate-bridged multi-iron complexes supported by cyclic (alkyl)(amino)carbene","Dalton Trans.","2017","","","","","10.1039/C7DT03353B","","","0.71073","MoKα","","0.0725","0.042","","","0.09","0.0972","","","","","","1.016","","","","has coordinates","202391","2020-10-21","18:00:00",""
"7044571","10.487","0.004","18.279","0.006","28.035","0.01","90","","90","","90","","5374","3","300","2","300","2","","","","","","","","7","P b c a","-P 2ac 2ab","61","","","","- C44 H72 Br2 Cl4 Fe2 N2 S2 -","- C44 H72 Br2 Cl4 Fe2 N2 S2 -","- C176 H288 Br8 Cl16 Fe8 N8 S8 -","4","0.5","","Zhang, Yanpeng; Mei, Tao; Yang, Dawei; Zhang, Yixin; Wang, Baomin; Qu, Jingping","Synthesis and reactivity of thiolate-bridged multi-iron complexes supported by cyclic (alkyl)(amino)carbene","Dalton Trans.","2017","","","","","10.1039/C7DT03353B","","","0.71073","MoKα","","0.1171","0.0704","","","0.195","0.2143","","","","","","1.047","","","","has coordinates","202391","2020-10-21","18:00:00",""
"7044572","10.0062","0.001","16.5247","0.0016","15.3223","0.0015","90","","100.251","0.003","90","","2493.1","0.4","304","2","304","2","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C40 H63 Br3 Fe4 N2 S4 -","- C40 H63 Br3 Fe4 N2 S4 -","- C80 H126 Br6 Fe8 N4 S8 -","2","1","","Zhang, Yanpeng; Mei, Tao; Yang, Dawei; Zhang, Yixin; Wang, Baomin; Qu, Jingping","Synthesis and reactivity of thiolate-bridged multi-iron complexes supported by cyclic (alkyl)(amino)carbene","Dalton Trans.","2017","","","","","10.1039/C7DT03353B","","","0.71073","MoKα","","0.0442","0.0337","","","0.0766","0.0797","","","","","","0.997","","","","has coordinates","202391","2020-10-21","18:00:00",""
"7044573","9.2767","0.0002","14.531","0.0004","15.8281","0.0004","90","","90.471","0.001","90","","2133.55","0.09","173","2","173","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C40 H62 Br4 Fe2 N2 -","- C40 H62 Br4 Fe2 N2 -","- C80 H124 Br8 Fe4 N4 -","2","0.5","","Zhang, Yanpeng; Mei, Tao; Yang, Dawei; Zhang, Yixin; Wang, Baomin; Qu, Jingping","Synthesis and reactivity of thiolate-bridged multi-iron complexes supported by cyclic (alkyl)(amino)carbene","Dalton Trans.","2017","","","","","10.1039/C7DT03353B","","","0.71073","MoKα","","0.0363","0.0323","","","0.0917","0.0936","","","","","","1.021","","","","has coordinates","202391","2020-10-21","18:00:00",""
"7044574","9.1221","0.0007","9.6527","0.0008","14.2111","0.0011","91.295","0.001","104.531","0.001","110.985","0.001","1122.17","0.15","220","2","220","","","","","","","","","5","P -1","-P 1","2","","","","- C42 H68 Fe2 N8 S2 -","- C42 H68 Fe2 N8 S2 -","- C42 H68 Fe2 N8 S2 -","1","0.5","","Zhang, Yanpeng; Mei, Tao; Yang, Dawei; Zhang, Yixin; Wang, Baomin; Qu, Jingping","Synthesis and reactivity of thiolate-bridged multi-iron complexes supported by cyclic (alkyl)(amino)carbene","Dalton Trans.","2017","","","","","10.1039/C7DT03353B","","","0.71073","MoKα","","0.0712","0.065","","","0.1594","0.1641","","","","","","1.039","","","","has coordinates,has disorder","202391","2020-10-21","18:00:00",""
"7044575","18.1902","0.00015","11.67686","0.00009","17.23519","0.00013","90","","92.6576","0.0007","90","","3656.89","0.05","150","2","149.99","0.1","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C38 H49 Cl N4 Si Te -","- C38 H49 Cl N4 Si Te -","- C152 H196 Cl4 N16 Si4 Te4 -","4","1","","Sarkar, Debotra; Wendel, Daniel; Ahmad, Syed Usman; Szilvási, Tibor; Pöthig, Alexander; Inoue, Shigeyoshi","Chalcogen-Atom Transfer and Exchange Reactions of NHC-Stabilized Heavier Silaacylium Ions","Dalton Trans.","2017","","","","","10.1039/C7DT03998K","","x-ray","1.54184","CuKα","","0.0322","0.0289","","","0.0748","0.0773","","","","","","1.035","","","","has coordinates","202392","2020-10-21","18:00:00",""
"7044576","15.2505","0.0004","16.9089","0.0004","17.7605","0.0003","75.462","0.002","77.484","0.002","82.684","0.002","4314.98","0.18","150","","150.02","0.1","","","","","","","","6","P -1","-P 1","2","","","","- C44 H58 Cl N7 Se Si -","- C44 H58 Cl N7 Se Si -","- C176 H232 Cl4 N28 Se4 Si4 -","4","2","","Sarkar, Debotra; Wendel, Daniel; Ahmad, Syed Usman; Szilvási, Tibor; Pöthig, Alexander; Inoue, Shigeyoshi","Chalcogen-Atom Transfer and Exchange Reactions of NHC-Stabilized Heavier Silaacylium Ions","Dalton Trans.","2017","","","","","10.1039/C7DT03998K","","x-ray","1.54184","CuKα","","0.0538","0.043","","","0.1169","0.1264","","","","","","1.026","","","","has coordinates","202392","2020-10-21","18:00:00",""
"7044577","33.9475","0.0018","16.3237","0.0009","34.039","0.0017","90","","111.394","0.002","90","","17562.9","1.6","100","","100","","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C43.76 H57.64 Cl N6.88 S Si -","- C43.763 H57.6445 Cl1.001 N6.8815 S Si -","- C700.208 H922.312 Cl16.016 N110.104 S16 Si16 -","16","2","","Sarkar, Debotra; Wendel, Daniel; Ahmad, Syed Usman; Szilvási, Tibor; Pöthig, Alexander; Inoue, Shigeyoshi","Chalcogen-Atom Transfer and Exchange Reactions of NHC-Stabilized Heavier Silaacylium Ions","Dalton Trans.","2017","","","","","10.1039/C7DT03998K","","x-ray","1.54178","CuKα","","0.0828","0.0724","","","0.2073","0.2155","","","","","","1.071","","","","has coordinates,has disorder","202392","2020-10-21","18:00:00",""
"7044578","13.5507","0.0007","15.9746","0.0006","15.9722","0.0007","90","","110.089","0.006","90","","3247.1","0.3","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C62 H70 N6 O18 Ru4 -","- C62 H70 N6 O18 Ru4 -","- C124 H140 N12 O36 Ru8 -","2","0.5","","Ansari, Mohd. Asif; Mandal, Abhishek; Beyer, Katharina; Paretzki, Alexa; Schwederski, Brigitte; Kaim, W.; Lahiri, Goutam Kumar","Non-innocence and mixed valency in tri- and tetranuclear ruthenium complexes of a heteroquinone bridging ligand","Dalton Trans.","2017","","","","","10.1039/C7DT03509H","","x-ray","0.71073","MoKα","","0.0473","0.0379","","","0.0905","0.097","","","","","","1.045","","","","has coordinates","202393","2020-10-21","18:00:00",""
"7044579","11.7442","0.0002","14.8795","0.0003","17.1035","0.0003","106.199","0.002","103.748","0.002","100.635","0.002","2685.21","0.1","100","0.3","100","2","","","","","","","","5","P 1","P 1","1","","","","- C102 H100 N8 O32.5 Ru6 -","- C102 H100 N8 O32.5 Ru6 -","- C102 H100 N8 O32.5 Ru6 -","1","1","","Ansari, Mohd. Asif; Mandal, Abhishek; Beyer, Katharina; Paretzki, Alexa; Schwederski, Brigitte; Kaim, W.; Lahiri, Goutam Kumar","Non-innocence and mixed valency in tri- and tetranuclear ruthenium complexes of a heteroquinone bridging ligand","Dalton Trans.","2017","","","","","10.1039/C7DT03509H","","","1.54184","CuKα","","0.0703","0.067","","","0.1754","0.179","","","","","","1.034","","","","has coordinates","202393","2020-10-21","18:00:00",""
"7044580","37.307","0.002","37.307","0.002","13.0641","0.0007","90","","90","","120","","15746.7","1.5","293","2","293","2","","","","","","","","4","R -3","-R 3","148","","","","- H13 I0.5 O37 W9 -","- H13 I0.5 O37 W9 -","- H234 I9 O666 W162 -","18","","","Zhang, Fuqiang; Gao, Jin-Ping; Yan, Li-Kai; Guan, Wei; Yao, Ru-Xin; Zhang, Xian-Ming","Unveil the Relative Stability and Proton Binding of Non-Classical Wells-Dawson Isomers of [(NaF6)W18O54(OH)2]7‒ and [(SbO6)W18O54(OH)2]9‒: A DFT Study","Dalton Trans.","2017","","","","","10.1039/C7DT03200E","","","0.71073","MoKα","","0.1041","0.0769","","","0.19","0.2082","","","","","","1.07","","","","has coordinates","202394","2020-10-21","18:00:00",""
"7044581","10.3758","0.0009","10.3171","0.0008","33.283","0.003","90","","97.525","0.007","90","","3532.2","0.5","100","2","100","2","","","","","","","","6","P 1 c 1","P -2yc","7","","","","- C38 H37 Co N6 O5 S2 -","- C38 H37 Co N6 O5 S2 -","- C152 H148 Co4 N24 O20 S8 -","4","2","","Sanmartin Matalobos, Jesus; Garcia-Deibe, Ana M.; Fondo, Matilde; Zarepour-Jevinani, Morteza; Domínguez-González, M. R.; Bermejo-Barrera, Pilar","Exploration of an Easily Synthesized Fluorescent Probe for Detecting Copper in Aqueous Samples","Dalton Trans.","2017","","","","","10.1039/C7DT02872E","","","0.71073","MoKα","","0.1565","0.1245","","","0.2683","0.2951","","","","","","1.193","","","","has coordinates","202395","2020-10-21","18:00:00",""
"7044582","12.8836","0.0007","15.6534","0.0009","17.2288","0.0009","90","","90.186","0.003","90","","3474.6","0.3","100","2","100","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C38 H34 N6 O4 Pd2 S2 -","- C38 H34 N6 O4 Pd2 S2 -","- C152 H136 N24 O16 Pd8 S8 -","4","1","","Sanmartin Matalobos, Jesus; Garcia-Deibe, Ana M.; Fondo, Matilde; Zarepour-Jevinani, Morteza; Domínguez-González, M. R.; Bermejo-Barrera, Pilar","Exploration of an Easily Synthesized Fluorescent Probe for Detecting Copper in Aqueous Samples","Dalton Trans.","2017","","","","","10.1039/C7DT02872E","","","0.71073","MoKα","","0.0541","0.0313","","","0.064","0.0725","","","","","","0.97","","","","has coordinates","202395","2020-10-21","18:00:00",""
"7044583","10.7929","0.0008","12.48","0.0006","13.3567","0.001","90","","98.63","0.007","90","","1778.7","0.2","293","2","293","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C36 H49 Cl2 N3 Pd -","- C36 H49 Cl2 N3 Pd -","- C72 H98 Cl4 N6 Pd2 -","2","1","","Chen, Ming-Tsz; Kao, Zing-Lun","Effect on Orthometallation of NHC Palladium Complexes toward the Catalytic Activity Studies in Suzuki Coupling Reaction","Dalton Trans.","2017","","","","","10.1039/C7DT03280C","","","0.71073","MoKα","","0.0613","0.0468","","","0.0792","0.0874","","","","","","1.029","","","","has coordinates","202442","2020-10-21","18:00:00",""
"7044584","10.776","0.0005","12.5569","0.0005","13.3141","0.0006","90","","98.3808","0.0017","90","","1782.33","0.14","150","2","150","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C36 H51 Cl2 N3 Pd -","- C36 H51 Cl2 N3 Pd -","- C72 H102 Cl4 N6 Pd2 -","2","1","","Chen, Ming-Tsz; Kao, Zing-Lun","Effect on Orthometallation of NHC Palladium Complexes toward the Catalytic Activity Studies in Suzuki Coupling Reaction","Dalton Trans.","2017","","","","","10.1039/C7DT03280C","","","0.71073","MoKα","","0.0281","0.0236","","","0.048","0.0496","","","","","","1.039","","","","has coordinates","202442","2020-10-21","18:00:00",""
"7044585","6.1014","0.0004","6.2138","0.0008","7.3925","0.0009","90","","103.813","0.008","90","","272.17","0.05","293","","293","","","","","","","","","3","C 1 2/m 1","-C 2y","12","","","","- Ba2 F2 S2 -","- Ba2 F2 S2 -","- Ba4 F4 S4 -","2","0.25","","Driss, Dalel; Cadars, Sylvian; Deniard, Philippe; Mévellec, Jean-Yves; Corraze, Benoit; Janod, Etienne; Cario, Laurent","Crystal structure and chemical bonding in the mixed anion compound BaSF","Dalton Trans.","2017","","","","","10.1039/C7DT03611F","","x-ray","0.71069","MoKα","","0.0182","0.0132","","","0.0164","0.0172","","","","1.29","1.29","1.28","","","","has coordinates","202443","2020-10-21","18:00:00",""
"7044586","14.176","0.004","10.516","0.003","24.432","0.008","90","","92.04","0.013","90","","3639.9","1.9","110","","110","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C42 H50 O3 S Si2 -","- C42 H50 O3 S Si2 -","- C168 H200 O12 S4 Si8 -","4","1","","Tashkandi, Nada Y.; Bourque, Jeremy L.; Baines, Kim M.","Reactivity of sulfonyl-containing compounds with ditetrelenes","Dalton Trans.","2017","","","","","10.1039/C7DT02374J","","","0.71073","MoKα","","0.0833","0.0491","","","0.1126","0.1294","","","","","","1.033","","","","has coordinates","202444","2020-10-21","18:00:00",""
"7044587","10.346","0.003","12.097","0.005","16.393","0.007","96.469","0.018","92.688","0.011","111.538","0.008","1887.6","1.3","110","","110","","","","","","","","","6","P -1","-P 1","2","","","","- C42 H49 Cl Ge2 O2 S -","- C42 H49 Cl Ge2 O2 S -","- C84 H98 Cl2 Ge4 O4 S2 -","2","1","","Tashkandi, Nada Y.; Bourque, Jeremy L.; Baines, Kim M.","Reactivity of sulfonyl-containing compounds with ditetrelenes","Dalton Trans.","2017","","","","","10.1039/C7DT02374J","","","0.71073","MoKα","","0.0717","0.0411","","","0.0964","0.1058","","","","","","1.027","","","","has coordinates,has disorder","202444","2020-10-21","18:00:00",""
"7044588","10.124","0.003","13.745","0.003","17.836","0.005","107.93","0.02","97.174","0.007","98.522","0.006","2296.7","1.1","110","","110","","","","","","","","","6","P -1","-P 1","2","","","","- C48 H63 Cl O2 S Si2 -","- C48 H63 Cl O2 S Si2 -","- C96 H126 Cl2 O4 S2 Si4 -","2","1","","Tashkandi, Nada Y.; Bourque, Jeremy L.; Baines, Kim M.","Reactivity of sulfonyl-containing compounds with ditetrelenes","Dalton Trans.","2017","","","","","10.1039/C7DT02374J","","","0.71073","MoKα","","0.1223","0.0656","","","0.1687","0.1867","","","","","","1.053","","","","has coordinates","202444","2020-10-21","18:00:00",""
"7044589","10.079","0.003","13.524","0.004","18.63","0.006","109.589","0.017","96.277","0.017","97.257","0.014","2341.8","1.3","110","","110","","","","","","","","","6","P -1","-P 1","2","","","","- C43 H51 Cl O2 S Si2 -","- C43 H51 Cl O2 S Si2 -","- C86 H102 Cl2 O4 S2 Si4 -","2","1","","Tashkandi, Nada Y.; Bourque, Jeremy L.; Baines, Kim M.","Reactivity of sulfonyl-containing compounds with ditetrelenes","Dalton Trans.","2017","","","","","10.1039/C7DT02374J","","","0.71073","MoKα","","0.0978","0.0582","","","0.1612","0.1823","","","","","","1.058","","","","has coordinates","202444","2020-10-21","18:00:00",""
"7044590","11.0729","0.0001","22.0794","0.0002","16.0254","0.0001","90","","106.001","0.001","90","","3766.14","0.06","150","1","150","1","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C10 H24 Cl2 Co N5 O10 -","- C10 H24 Cl2 Co N5 O10 -","- C80 H192 Cl16 Co8 N40 O80 -","8","2","","Green, Bradley; Renfrew, Anna; Glenister, Alexandra; Turner, Peter; Hambley, Trevor","The influence of the ancillary ligand on the potential of cobalt(III) complexes to act as chaperones for hydroxamic acid-based drugs","Dalton Transactions","2017","","","","","10.1039/C7DT03645K","","","0.71073","MoKα","","0.0451","0.0365","","","0.0879","0.0933","","","","","","1.026","","","","has coordinates,has disorder","202460","2020-10-21","18:00:00",""
"7044591","16.7154","0.0004","8.9588","0.0001","16.761","0.0004","90","","118.994","0.003","90","","2195.39","0.1","100","1","100","1","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C15 H26 Cl2 Co N5 O10 -","- C15 H26 Cl2 Co N5 O10 -","- C60 H104 Cl8 Co4 N20 O40 -","4","1","","Green, Bradley; Renfrew, Anna; Glenister, Alexandra; Turner, Peter; Hambley, Trevor","The influence of the ancillary ligand on the potential of cobalt(III) complexes to act as chaperones for hydroxamic acid-based drugs","Dalton Transactions","2017","","","","","10.1039/C7DT03645K","","","0.71073","MoKα","","0.0463","0.0441","","","0.1048","0.1063","","","","","","1.267","","","","has coordinates,has disorder","202460","2020-10-21","18:00:00",""
"7044592","15.7419","0.0001","17.2201","0.0001","9.3956","0.0001","90","","92.732","0.001","90","","2544.04","0.03","150","1","150","1","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C20 H30 Cl2 Co N5 O10 -","- C20 H30 Cl2 Co N5 O10 -","- C80 H120 Cl8 Co4 N20 O40 -","4","1","","Green, Bradley; Renfrew, Anna; Glenister, Alexandra; Turner, Peter; Hambley, Trevor","The influence of the ancillary ligand on the potential of cobalt(III) complexes to act as chaperones for hydroxamic acid-based drugs","Dalton Transactions","2017","","","","","10.1039/C7DT03645K","","","1.5418","CuKα","","0.027","0.0263","","","0.0692","0.0696","","","","","","1.291","","","","has coordinates","202460","2020-10-21","18:00:00",""
"7044593","11.2313","0.0007","11.6143","0.0007","18.4094","0.0011","72.048","0.001","75.859","0.001","66.64","0.001","2076.6","0.2","173","2","173","2","","","","","","","","6","P -1","-P 1","2","","","","- C40 H36 Dy N3 O14 P2 -","- C40 H36 Dy N3 O14 P2 -","- C80 H72 Dy2 N6 O28 P4 -","2","1","","G. Leach, Erin; Shady, Justin R.; Boyden, Adam C.; Emig, Anne-lise; Henry, Alyssa T.; Connor, Emily K.; Staples, Richard J.; Schaertel, Stephanie; Werner, Eric J.; Biros, Shannon M.","X-ray crystallographic, luminescence and NMR studies of phenacyldiphenylphosphine oxide with the Ln(iii) ions Sm, Eu, Gd, Tb and Dy","Dalton Trans.","2017","","","","","10.1039/C7DT02678A","","","0.71073","MoKα","","0.0435","0.0321","","","0.0656","0.0702","","","","","","1.017","","","","has coordinates","202461","2020-10-21","18:00:00",""
"7044594","11.2311","0.0019","11.6325","0.0019","18.48","0.003","72.083","0.002","75.706","0.002","66.718","0.002","2088.4","0.6","173","2","173","2","","","","","","","","6","P -1","-P 1","2","","","","- C40 H36 Eu N3 O14 P2 -","- C40 H36 Eu N3 O14 P2 -","- C80 H72 Eu2 N6 O28 P4 -","2","1","","G. Leach, Erin; Shady, Justin R.; Boyden, Adam C.; Emig, Anne-lise; Henry, Alyssa T.; Connor, Emily K.; Staples, Richard J.; Schaertel, Stephanie; Werner, Eric J.; Biros, Shannon M.","X-ray crystallographic, luminescence and NMR studies of phenacyldiphenylphosphine oxide with the Ln(iii) ions Sm, Eu, Gd, Tb and Dy","Dalton Trans.","2017","","","","","10.1039/C7DT02678A","","","0.71073","MoKα","","0.0511","0.0452","","","0.1178","0.1246","","","","","","1.048","","","","has coordinates","202461","2020-10-21","18:00:00",""
"7044595","11.2287","0.0012","11.6265","0.0012","18.433","0.002","72.046","0.001","75.834","0.001","66.696","0.001","2081.6","0.4","173","2","173","2","","","","","","","","6","P -1","-P 1","2","","","","- C40 H36 N3 O14 P2 Tb -","- C40 H36 N3 O14 P2 Tb -","- C80 H72 N6 O28 P4 Tb2 -","2","1","","G. Leach, Erin; Shady, Justin R.; Boyden, Adam C.; Emig, Anne-lise; Henry, Alyssa T.; Connor, Emily K.; Staples, Richard J.; Schaertel, Stephanie; Werner, Eric J.; Biros, Shannon M.","X-ray crystallographic, luminescence and NMR studies of phenacyldiphenylphosphine oxide with the Ln(iii) ions Sm, Eu, Gd, Tb and Dy","Dalton Trans.","2017","","","","","10.1039/C7DT02678A","","","0.71073","MoKα","","0.0371","0.0293","","","0.0618","0.0654","","","","","","1.055","","","","has coordinates","202461","2020-10-21","18:00:00",""
"7044596","11.238","0.0001","11.6353","0.0002","18.4819","0.0002","72.0301","0.0006","75.7452","0.0006","66.7376","0.0006","2090.38","0.05","173","2","173","2","","","","","","","","6","P -1","-P 1","2","","","","- C40 H36 Gd N3 O14 P2 -","- C40 H36 Gd N3 O14 P2 -","- C80 H72 Gd2 N6 O28 P4 -","2","1","","G. Leach, Erin; Shady, Justin R.; Boyden, Adam C.; Emig, Anne-lise; Henry, Alyssa T.; Connor, Emily K.; Staples, Richard J.; Schaertel, Stephanie; Werner, Eric J.; Biros, Shannon M.","X-ray crystallographic, luminescence and NMR studies of phenacyldiphenylphosphine oxide with the Ln(iii) ions Sm, Eu, Gd, Tb and Dy","Dalton Trans.","2017","","","","","10.1039/C7DT02678A","","","1.54178","CuKα","","0.0257","0.0242","","","0.0603","0.0612","","","","","","1.035","","","","has coordinates","202461","2020-10-21","18:00:00",""
"7044597","12.5305","0.0012","14.0929","0.0014","16.2116","0.0016","71.548","0.001","80.173","0.001","72.049","0.001","2575","0.4","173.15","","173","2","","","","","","","","7","P -1","-P 1","2","","","","- C42 H36 Cl6 Eu N3 O13 P2 -","- C42 H36 Cl6 Eu N3 O13 P2 -","- C84 H72 Cl12 Eu2 N6 O26 P4 -","2","1","","G. Leach, Erin; Shady, Justin R.; Boyden, Adam C.; Emig, Anne-lise; Henry, Alyssa T.; Connor, Emily K.; Staples, Richard J.; Schaertel, Stephanie; Werner, Eric J.; Biros, Shannon M.","X-ray crystallographic, luminescence and NMR studies of phenacyldiphenylphosphine oxide with the Ln(iii) ions Sm, Eu, Gd, Tb and Dy","Dalton Trans.","2017","","","","","10.1039/C7DT02678A","","","0.71073","MoKα","","0.1287","0.073","","","0.154","0.1769","","","","","","1.059","","","","has coordinates,has disorder","202461","2020-10-21","18:00:00",""
"7044598","12.842","0.0007","13.532","0.0011","19.2627","0.0013","99.836","0.006","102.202","0.005","112.404","0.006","2905.4","0.4","298","2","298","2","","","","","","","","6","P -1","-P 1","2","","","","- C48 H38 F18 N11 P3 Ru2 -","- C48 H38 F18 N11 P3 Ru2 -","- C96 H76 F36 N22 P6 Ru4 -","2","1","","Oviedo, Paola; Pieslinger, German Eduardo; Cadranel, Alejandro; Baraldo, Luis Mario","Exploring the Localized to Delocalized Transition in Non-Symmetric Bimetallic Ruthenium Polypyridines","Dalton Trans.","2017","","","","","10.1039/C7DT02422C","","","0.7107","MoKα","","0.111","0.0721","","","0.1996","0.2298","","","","","","0.983","","","","has coordinates,has disorder","202463","2020-10-21","18:00:00",""
"7044599","18.725","0.002","13.2472","0.0018","22.395","0.003","90","","93.657","0.005","90","","5543.9","1.2","100","2","100","2","","","","","","","","6","C 1 c 1","C -2yc","9","","","","- C41 H78 Cl12 N2 P2 Ru2 -","- C41 H78 Cl12 N2 P2 Ru2 -","- C164 H312 Cl48 N8 P8 Ru8 -","4","1","","Broomfield, Lewis Marc; Alonso-Moreno, Carlos; Martin, Eddy; Shafir, Alexandr; Posadas, Inmaculada; Ceña, Valentín; Castro-Osma, José Antonio","Aminophosphine Ligands as a Privileged Platform for Development of Antitumoral Ruthenium(II) Arene Complexes","Dalton Trans.","2017","","","","","10.1039/C7DT03369A","","","0.71073","MoKα","","0.0814","0.0768","","","0.2078","0.2148","","","","","","1.075","","","","has coordinates,has disorder","202465","2020-10-21","18:00:00",""
"7044600","10.0527","0.0005","14.1683","0.0007","17.5477","0.0009","90","","100.426","0.0014","90","","2458","0.2","100","2","100","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C25 H32 Cl2 N P Ru -","- C25 H32 Cl2 N P Ru -","- C100 H128 Cl8 N4 P4 Ru4 -","4","1","","Broomfield, Lewis Marc; Alonso-Moreno, Carlos; Martin, Eddy; Shafir, Alexandr; Posadas, Inmaculada; Ceña, Valentín; Castro-Osma, José Antonio","Aminophosphine Ligands as a Privileged Platform for Development of Antitumoral Ruthenium(II) Arene Complexes","Dalton Trans.","2017","","","","","10.1039/C7DT03369A","","","1.54178","CuKα","","0.0336","0.0322","","","0.0933","0.0948","","","","","","1.115","","","","has coordinates","202465","2020-10-21","18:00:00",""
"7044601","13.5855","0.0006","13.5855","0.0006","26.1826","0.0012","90","","90","","120","","4185","0.3","100","2","100","2","","","","","","","","6","P 31","P 31","144","","","","- C54 H68 Cl8 N2 P2 Ru2 -","- C54 H68 Cl8 N2 P2 Ru2 -","- C162 H204 Cl24 N6 P6 Ru6 -","3","1","","Broomfield, Lewis Marc; Alonso-Moreno, Carlos; Martin, Eddy; Shafir, Alexandr; Posadas, Inmaculada; Ceña, Valentín; Castro-Osma, José Antonio","Aminophosphine Ligands as a Privileged Platform for Development of Antitumoral Ruthenium(II) Arene Complexes","Dalton Trans.","2017","","","","","10.1039/C7DT03369A","","","0.71073","MoKα","","0.0251","0.0245","","","0.0578","0.0584","","","","","","1.041","","","","has coordinates,has disorder","202465","2020-10-21","18:00:00",""
"7044602","19.7175","0.0012","13.6257","0.0008","19.4388","0.0012","90","","111.705","0.0015","90","","4852.2","0.5","100","2","100","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C50 H60 Cl4 N2 P2 Ru2 -","- C50 H60 Cl4 N2 P2 Ru2 -","- C200 H240 Cl16 N8 P8 Ru8 -","4","0.5","","Broomfield, Lewis Marc; Alonso-Moreno, Carlos; Martin, Eddy; Shafir, Alexandr; Posadas, Inmaculada; Ceña, Valentín; Castro-Osma, José Antonio","Aminophosphine Ligands as a Privileged Platform for Development of Antitumoral Ruthenium(II) Arene Complexes","Dalton Trans.","2017","","","","","10.1039/C7DT03369A","","","0.71073","MoKα","","0.0356","0.0282","","","0.0677","0.0734","","","","","","1.059","","","","has coordinates,has disorder","202465","2020-10-21","18:00:00",""
"7044603","10.2885","0.0016","36.99","0.007","13.802","0.002","90","","104.031","0.005","90","","5095.9","1.5","100","2","100","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C50 H61 Cl7 N2 P2 Ru2 -","- C50 H61 Cl7 N2 P2 Ru2 -","- C200 H244 Cl28 N8 P8 Ru8 -","4","1","","Broomfield, Lewis Marc; Alonso-Moreno, Carlos; Martin, Eddy; Shafir, Alexandr; Posadas, Inmaculada; Ceña, Valentín; Castro-Osma, José Antonio","Aminophosphine Ligands as a Privileged Platform for Development of Antitumoral Ruthenium(II) Arene Complexes","Dalton Trans.","2017","","","","","10.1039/C7DT03369A","","","0.71073","MoKα","","0.1818","0.0789","","","0.1571","0.1878","","","","","","0.911","","","","has coordinates,has disorder","202465","2020-10-21","18:00:00",""
"7044604","10.3175","0.0008","19.2105","0.0012","36.437","0.003","90","","90","","90","","7222","0.9","100","2","100","2","","","","","","","","9","P 21 21 21","P 2ac 2ab","19","","","","- C75 H86 B2 Cl2 F8 N2 O P4 Ru2 -","- C75 H86 B2 Cl2 F8 N2 O P4 Ru2 -","- C300 H344 B8 Cl8 F32 N8 O4 P16 Ru8 -","4","1","","Broomfield, Lewis Marc; Alonso-Moreno, Carlos; Martin, Eddy; Shafir, Alexandr; Posadas, Inmaculada; Ceña, Valentín; Castro-Osma, José Antonio","Aminophosphine Ligands as a Privileged Platform for Development of Antitumoral Ruthenium(II) Arene Complexes","Dalton Trans.","2017","","","","","10.1039/C7DT03369A","","","0.71073","MoKα","","0.0285","0.0252","","","0.0527","0.054","","","","","","1.04","","","","has coordinates,has disorder","202465","2020-10-21","18:00:00",""
"7044605","20.2596","0.0008","15.5226","0.0006","21.3905","0.0008","90","","116.787","0.002","90","","6005","0.4","100","","100","","","","","","","","","8","P 1 21/n 1","-P 2yn","14","","","","- C68 H52 Au Cl F9 O3 P3 S -","- C68 H52 Au Cl F9 O3 P3 S -","- C272 H208 Au4 Cl4 F36 O12 P12 S4 -","4","1","","Yogendra, S.; Hennersdorf, F.; Bauzá, A.; Frontera, A.; Fischer, R.; Weigand, J. J.","Donor‒acceptor interactions in tri(phosphonio)methanide dications [(Ph3P)2CP(X)Ph2]2+ (X = H, Me, CN, NCS, OH, Cl, OTf, F)","Dalton Transactions","2017","","","","","10.1039/C7DT03271D","","","0.71073","MoKα","","0.058","0.0385","","","0.0973","0.1039","","","","","","1.065","","","","has coordinates,has disorder","202508","2020-10-21","18:00:00",""
"7044606","15.7907","0.00012","14.73004","0.00009","22.03564","0.00018","90","","100.299","0.0008","90","","5042.86","0.07","100","0.1","100","0.1","","","","","","","","7","P 1 2/c 1","-P 2yc","13","","","","- C54 H42 Cl F7 O6 P3 S2 -","- C54 H42 Cl F7 O6 P3 S2 -","- C216 H168 Cl4 F28 O24 P12 S8 -","4","1","","Yogendra, S.; Hennersdorf, F.; Bauzá, A.; Frontera, A.; Fischer, R.; Weigand, J. J.","Donor‒acceptor interactions in tri(phosphonio)methanide dications [(Ph3P)2CP(X)Ph2]2+ (X = H, Me, CN, NCS, OH, Cl, OTf, F)","Dalton Transactions","2017","","","","","10.1039/C7DT03271D","","x-ray","1.54184","CuKα","","0.0604","0.0545","","","0.1865","0.1937","","","","","","1.161","","","","has coordinates,has disorder","202508","2020-10-21","18:00:00",""
"7044607","17.84904","0.00019","30.9248","0.0003","18.15886","0.00014","90","","90","","90","","10023.3","0.16","100.01","0.1","100.01","0.1","","","","","","","","6","P c c n","-P 2ab 2ac","56","","","","- C55 H45 F7 O6 P3 S2 -","- C55 H45 F7 O6 P3 S2 -","- C440 H360 F56 O48 P24 S16 -","8","1","","Yogendra, S.; Hennersdorf, F.; Bauzá, A.; Frontera, A.; Fischer, R.; Weigand, J. J.","Donor‒acceptor interactions in tri(phosphonio)methanide dications [(Ph3P)2CP(X)Ph2]2+ (X = H, Me, CN, NCS, OH, Cl, OTf, F)","Dalton Transactions","2017","","","","","10.1039/C7DT03271D","","x-ray","1.54184","CuKα","","0.0384","0.0382","","","0.0979","0.0981","","","","","","1.082","","","","has coordinates,has disorder","202508","2020-10-21","18:00:00",""
"7044608","15.9661","0.0002","19.1154","0.0002","19.1052","0.0003","90","","102.9","0.0014","90","","5683.72","0.13","100","","100","","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C63 H49 F10 O6 P3 S2 -","- C63 H49 F10 O6 P3 S2 -","- C252 H196 F40 O24 P12 S8 -","4","1","","Yogendra, S.; Hennersdorf, F.; Bauzá, A.; Frontera, A.; Fischer, R.; Weigand, J. J.","Donor‒acceptor interactions in tri(phosphonio)methanide dications [(Ph3P)2CP(X)Ph2]2+ (X = H, Me, CN, NCS, OH, Cl, OTf, F)","Dalton Transactions","2017","","","","","10.1039/C7DT03271D","","x-ray","1.54184","CuKα","","0.0501","0.0429","","","0.1093","0.115","","","","","","1.029","","","","has coordinates,has disorder","202508","2020-10-21","18:00:00",""
"7044609","9.9625","0.0004","18.98","0.001","24.0879","0.0011","90","","101.354","0.004","90","","4465.6","0.4","100","","100","","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C52 H43 F5 N O3 P3 S -","- C52 H43 F5 N O3 P3 S -","- C208 H172 F20 N4 O12 P12 S4 -","4","1","","Yogendra, S.; Hennersdorf, F.; Bauzá, A.; Frontera, A.; Fischer, R.; Weigand, J. J.","Donor‒acceptor interactions in tri(phosphonio)methanide dications [(Ph3P)2CP(X)Ph2]2+ (X = H, Me, CN, NCS, OH, Cl, OTf, F)","Dalton Transactions","2017","","","","","10.1039/C7DT03271D","","x-ray","0.71073","MoKα","","0.0883","0.0691","","","0.1699","0.1814","","","","","","1.075","","","","has coordinates","202508","2020-10-21","18:00:00",""
"7044610","7.2782","0.0014","12.8154","0.0014","30.621","0.005","90","","90","","90","","2856.1","0.8","150","2","150","2","","","","","","","","4","P c a b","-P 2bc 2ac","61","","","","- C17 H17 N2 O3 -","- C17 H17 N2 O3 -","- C136 H136 N16 O24 -","8","1","","Ghosh, Tapas; Patra, Debashis; Paul, Subhabrata; Majumder, Indira; Sepay, Nayim; Bera, Sachinath; Kundu, Rita; Drew, Michael G. B.","Exploring the role of substituent in the hydrazone ligand of a family of m-oxidodivanadium(V) hydrazone complexes on structure, DNA binding and anticancer activity","Dalton Transactions","2017","","","","","10.1039/C7DT03585C","","","0.71073","MoKα","","0.1524","0.0837","","","0.2118","0.2703","","","","","","0.937","","","","has coordinates","202509","2020-10-21","18:00:00",""
"7044611","7.3361","0.0019","9.3756","0.0018","11.919","0.002","77.072","0.016","77.405","0.019","83.703","0.019","778.2","0.3","150","2","150","2","","","","","","","","5","P -1","-P 1","2","","","","- C34 H28 N4 O9 V2 -","- C34 H28 N4 O9 V2 -","- C34 H28 N4 O9 V2 -","1","0.5","","Ghosh, Tapas; Patra, Debashis; Paul, Subhabrata; Majumder, Indira; Sepay, Nayim; Bera, Sachinath; Kundu, Rita; Drew, Michael G. B.","Exploring the role of substituent in the hydrazone ligand of a family of m-oxidodivanadium(V) hydrazone complexes on structure, DNA binding and anticancer activity","Dalton Transactions","2017","","","","","10.1039/C7DT03585C","","","0.71073","MoKα","","0.0962","0.0713","","","0.1836","0.22","","","","","","1.046","","","","has coordinates","202509","2020-10-21","18:00:00",""
"7044612","14.8856","0.001","19.3543","0.0011","12.4314","0.0006","90","","90","","90","","3581.5","0.4","173","2","173","2","","","","","","","","7","P c c n","-P 2ab 2ac","56","","","","- C12 H36 Mn7 N6 O6 Se8 Sn2 -","- C12 H36 Mn7 N6 O6 Se8 Sn2 -","- C48 H144 Mn28 N24 O24 Se32 Sn8 -","4","0.5","","Zhou, Jian; Xiao, Hong; Zou, Hua-Hong; Liu, Xing","One unprecedented 2-D Mn selenidostannate(IV) incorporating high-nuclear Mn clusters with spin canting behavior","Dalton Transactions","2017","","","","","10.1039/C7DT03331A","","","0.71073","MoKα","","0.06","0.0341","","","0.0675","0.0754","","","","","","1.016","","","","has coordinates,has disorder","202510","2020-10-21","18:00:00",""
"7044613","11.5323","0.0014","17.832","0.002","18.105","0.002","112.321","0.006","96.629","0.006","105.443","0.005","3220.4","0.7","150","2","150","2","","","","","","","","7","P -1","-P 1","2","","","","- C28 H24 Br2 F12 N2 O16 Pd3 -","- C24 H14 Br2 F12 N2 O10 Pd3 -","- C72 H42 Br6 F36 N6 O30 Pd9 -","3","1.5","","Váňa, Jiří; Lang, Jan; Šoltésová, Mária; Hanusek, Jiri; Růžička, Aleš; Sedlák, Miloš; Roithova, Jana","The Role of Trinuclear Species in Palladium Acetate/Trifluoroacetic Acid Catalytic System","Dalton Transactions","2017","","","","","10.1039/C7DT03832A","","","0.71073","MoKα","","0.1233","0.0755","","","0.1942","0.2414","","","","","","1.019","","","","has coordinates,has disorder","202511","2020-10-21","18:00:00",""
"7044614","26.08","0.0017","26.08","0.0017","28.279","0.002","90","","90","","120","","16657.5","1.9","150","2","150","2","","","","","","","","7","R -3 c :H","-R 3 2""c","167","","","","- C24 H25 Br2 F6 N2 O11.5 Pd2 -","- C20 H14 Br2 F6 N2 O6 Pd2 -","- C360 H252 Br36 F108 N36 O108 Pd36 -","18","0.5","","Váňa, Jiří; Lang, Jan; Šoltésová, Mária; Hanusek, Jiri; Růžička, Aleš; Sedlák, Miloš; Roithova, Jana","The Role of Trinuclear Species in Palladium Acetate/Trifluoroacetic Acid Catalytic System","Dalton Transactions","2017","","","","","10.1039/C7DT03832A","","","0.71073","MoKα","","0.0762","0.0473","","","0.1071","0.1218","","","","","","1.033","","","","has coordinates","202511","2020-10-21","18:00:00",""
"7044615","10.9275","0.0004","12.2795","0.0004","13.7315","0.0005","64.929","0.004","78.551","0.003","75.154","0.003","1604.71","0.11","130","2","130","2","","","","","","","","5","P -1","-P 1","2","","","","- C66 H76 Gd2 N2 O18 -","- C66 H76 Gd2 N2 O18 -","- C66 H76 Gd2 N2 O18 -","1","0.5","","Machata, Marek; Herchel, Radovan; Nemec, Ivan; Travnicek, Zdenek","Crystal structures and magnetic properties of two series of phenoxo-O bridged dinuclear Ln2 (Ln = Gd, Tb, Dy) complexes","Dalton Transactions","2017","","","","","10.1039/C7DT03441E","","","0.71073","MoKα","","0.0241","0.0205","","","0.0475","0.0481","","","","","","1.025","","","","has coordinates","202512","2020-10-21","18:00:00",""
"7044616","11.2623","0.0002","15.7686","0.0003","15.5235","0.0003","90","","96.256","0.002","90","","2740.41","0.09","130","2","130","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C64 H58 Dy2 N4 O12 -","- C64 H58 Dy2 N4 O12 -","- C128 H116 Dy4 N8 O24 -","2","0.5","","Machata, Marek; Herchel, Radovan; Nemec, Ivan; Travnicek, Zdenek","Crystal structures and magnetic properties of two series of phenoxo-O bridged dinuclear Ln2 (Ln = Gd, Tb, Dy) complexes","Dalton Transactions","2017","","","","","10.1039/C7DT03441E","","","0.71073","MoKα","","0.0273","0.0212","","","0.0514","0.0525","","","","","","1.037","","","","has coordinates","202512","2020-10-21","18:00:00",""
"7044617","10.8879","0.0002","12.2929","0.0002","13.6009","0.0003","65.334","0.002","78.453","0.002","74.994","0.002","1589.06","0.06","130","2","130","2","","","","","","","","5","P -1","-P 1","2","","","","- C66 H76 Dy2 N2 O18 -","- C66 H76 Dy2 N2 O18 -","- C66 H76 Dy2 N2 O18 -","1","0.5","","Machata, Marek; Herchel, Radovan; Nemec, Ivan; Travnicek, Zdenek","Crystal structures and magnetic properties of two series of phenoxo-O bridged dinuclear Ln2 (Ln = Gd, Tb, Dy) complexes","Dalton Transactions","2017","","","","","10.1039/C7DT03441E","","","0.71073","MoKα","","0.0183","0.0166","","","0.0418","0.0421","","","","","","1.079","","","","has coordinates","202512","2020-10-21","18:00:00",""
"7044618","11.2606","0.0013","15.9046","0.0015","15.5822","0.0017","90","","96.903","0.005","90","","2770.5","0.5","150","2","150","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C64 H58 Gd2 N4 O12 -","- C64 H58 Gd2 N4 O12 -","- C128 H116 Gd4 N8 O24 -","2","0.5","","Machata, Marek; Herchel, Radovan; Nemec, Ivan; Travnicek, Zdenek","Crystal structures and magnetic properties of two series of phenoxo-O bridged dinuclear Ln2 (Ln = Gd, Tb, Dy) complexes","Dalton Transactions","2017","","","","","10.1039/C7DT03441E","","","0.71073","MoKα","","0.0511","0.0338","","","0.0592","0.0632","","","","","","1.084","","","","has coordinates","202512","2020-10-21","18:00:00",""
"7044619","10.8918","0.0002","12.2785","0.0002","13.6668","0.0003","65.133","0.002","78.645","0.002","75.204","0.002","1594.92","0.06","130","2","130","2","","","","","","","","5","P -1","-P 1","2","","","","- C66 H76 N2 O18 Tb2 -","- C66 H76 N2 O18 Tb2 -","- C66 H76 N2 O18 Tb2 -","1","0.5","","Machata, Marek; Herchel, Radovan; Nemec, Ivan; Travnicek, Zdenek","Crystal structures and magnetic properties of two series of phenoxo-O bridged dinuclear Ln2 (Ln = Gd, Tb, Dy) complexes","Dalton Transactions","2017","","","","","10.1039/C7DT03441E","","","0.71073","MoKα","","0.0201","0.0177","","","0.0439","0.0443","","","","","","1.105","","","","has coordinates","202512","2020-10-21","18:00:00",""
"7044620","11.272","0.0003","15.89","0.0003","15.5373","0.0004","90","","96.596","0.002","90","","2764.5","0.12","150","2","150","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C64 H58 N4 O12 Tb2 -","- C64 H58 N4 O12 Tb2 -","- C128 H116 N8 O24 Tb4 -","2","0.5","","Machata, Marek; Herchel, Radovan; Nemec, Ivan; Travnicek, Zdenek","Crystal structures and magnetic properties of two series of phenoxo-O bridged dinuclear Ln2 (Ln = Gd, Tb, Dy) complexes","Dalton Transactions","2017","","","","","10.1039/C7DT03441E","","","0.71073","MoKα","","0.0428","0.0274","","","0.0627","0.0671","","","","","","1.03","","","","has coordinates","202512","2020-10-21","18:00:00",""
"7044621","11.272","0.0008","15.062","0.001","16.4338","0.0001","94.872","0.005","91.976","0.005","93.136","0.005","2773.7","0.3","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","","","- C51 H66 Cl8 N4 P2 -","- C51 H66 Cl8 N4 P2 -","- C102 H132 Cl16 N8 P4 -","2","1","","Doddi, Adinarayana; Bockfeld, Dirk; Zaretzke, Marc-Kevin; Kleeberg, Christian; Bannenberg, Thomas; Tamm, Matthias","A Modular Approach to Carbene-Stabilized Diphosphorus Species","Dalton Transactions","2017","","","","","10.1039/C7DT03436A","","","1.54184","CuKα","","0.0713","0.0558","","","0.1472","0.1595","","","","","","1.028","","","","has coordinates,has disorder","202513","2020-10-21","18:00:00",""
"7044622","10.9228","0.0004","14.9659","0.0008","18.5836","0.0008","67.89","0.004","79.842","0.004","84.588","0.004","2769","0.2","200","2","200","2","","","","","","","","6","P -1","-P 1","2","","","","- C50 H64 Cl4 F6 N4 P3 -","- C50 H64 Cl4 F6 N4 P3 -","- C100 H128 Cl8 F12 N8 P6 -","2","1","","Doddi, Adinarayana; Bockfeld, Dirk; Zaretzke, Marc-Kevin; Kleeberg, Christian; Bannenberg, Thomas; Tamm, Matthias","A Modular Approach to Carbene-Stabilized Diphosphorus Species","Dalton Transactions","2017","","","","","10.1039/C7DT03436A","","","1.54184","CuKα","","0.085","0.0611","","","0.1676","0.1895","","","","","","1.04","","","","has coordinates,has disorder","202513","2020-10-21","18:00:00",""
"7044623","18.8778","0.001","16.6879","0.0008","17.4336","0.0008","90","","95.902","0.004","90","","5463","0.5","100","2","100","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C50 H64 Cl4 F6 N4 P3 -","- C50 H64 Cl4 F6 N4 P3 -","- C200 H256 Cl16 F24 N16 P12 -","4","1","","Doddi, Adinarayana; Bockfeld, Dirk; Zaretzke, Marc-Kevin; Kleeberg, Christian; Bannenberg, Thomas; Tamm, Matthias","A Modular Approach to Carbene-Stabilized Diphosphorus Species","Dalton Transactions","2017","","","","","10.1039/C7DT03436A","","","1.54184","CuKα","","0.0679","0.048","","","0.1127","0.126","","","","","","1.024","","","","has coordinates","202513","2020-10-21","18:00:00",""
"7044624","10.7604","0.0002","12.9388","0.0004","18.3755","0.0006","100.342","0.002","104.409","0.002","110.565","0.002","2217.19","0.12","100","2","100","2","","","","","","","","4","P -1","-P 1","2","","","","- C48 H60 N4 P2 -","- C48 H60 N4 P2 -","- C96 H120 N8 P4 -","2","1","","Doddi, Adinarayana; Bockfeld, Dirk; Zaretzke, Marc-Kevin; Kleeberg, Christian; Bannenberg, Thomas; Tamm, Matthias","A Modular Approach to Carbene-Stabilized Diphosphorus Species","Dalton Transactions","2017","","","","","10.1039/C7DT03436A","","","1.54184","CuKα","","0.0386","0.0362","","","0.0948","0.0971","","","","","","1.036","","","","has coordinates","202513","2020-10-21","18:00:00",""
"7044625","18.6443","0.0002","16.6256","0.0002","17.275","0.0002","90","","96.787","0.002","90","","5317.25","0.11","100","2","100","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C50 H64 B Cl4 F4 N4 P2 -","- C50 H64 B Cl4 F4 N4 P2 -","- C200 H256 B4 Cl16 F16 N16 P8 -","4","1","","Doddi, Adinarayana; Bockfeld, Dirk; Zaretzke, Marc-Kevin; Kleeberg, Christian; Bannenberg, Thomas; Tamm, Matthias","A Modular Approach to Carbene-Stabilized Diphosphorus Species","Dalton Transactions","2017","","","","","10.1039/C7DT03436A","","","1.54184","CuKα","","0.0441","0.0408","","","0.1091","0.1125","","","","","","1.038","","","","has coordinates,has disorder","202513","2020-10-21","18:00:00",""
"7044626","16.1731","0.0007","19.4127","0.001","20.2655","0.0001","80.996","0.004","76.569","0.004","69.481","0.004","5776.3","0.4","100","2","100","2","","","","","","","","6","P -1","-P 1","2","","","","- C112 H84 B2 F48 N4 P2 -","- C112 H84 B2 F48 N4 P2 -","- C224 H168 B4 F96 N8 P4 -","2","1","","Doddi, Adinarayana; Bockfeld, Dirk; Zaretzke, Marc-Kevin; Kleeberg, Christian; Bannenberg, Thomas; Tamm, Matthias","A Modular Approach to Carbene-Stabilized Diphosphorus Species","Dalton Transactions","2017","","","","","10.1039/C7DT03436A","","","1.54184","CuKα","","0.081","0.0685","","","0.1888","0.1997","","","","","","1.061","","","","has coordinates,has disorder","202513","2020-10-21","18:00:00",""
"7044627","21.5044","0.0008","13.6283","0.0004","46.5389","0.0014","90","","95.086","0.004","90","","13585.4","0.8","100","2","100","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C51 H66 Cl14 Ga2 N4 P2 -","- C48 H60 Cl8 Ga2 N4 P2 -","- C384 H480 Cl64 Ga16 N32 P16 -","8","1","","Doddi, Adinarayana; Bockfeld, Dirk; Zaretzke, Marc-Kevin; Kleeberg, Christian; Bannenberg, Thomas; Tamm, Matthias","A Modular Approach to Carbene-Stabilized Diphosphorus Species","Dalton Transactions","2017","","","","","10.1039/C7DT03436A","","","1.54184","CuKα","","0.0628","0.0516","","","0.1167","0.1226","","","","","","1.051","","","","has coordinates,has disorder","202513","2020-10-21","18:00:00",""
"7044628","7.6451","0.0001","17.2164","0.0003","15.4658","0.0003","90","","99.1931","0.0017","90","","2009.48","0.06","150","","150","","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C20 H20 Cl2 N2 O2 Pd2 -","- C20 H20 Cl2 N2 O2 Pd2 -","- C80 H80 Cl8 N8 O8 Pd8 -","4","1","","Nielson, A. J.; Harrison, John A.; Sajjad, Arif; Schwerdtfeger, Peter; Rees, Nick; Christensen, Kirsten","Chasing the agostic interaction in ligand assisted cyclometallation reactions of palladium (II)","Dalton Transactions","2017","","","","","10.1039/C7DT03525J","","","1.54184","CuKα","","0.0601","0.0575","","0.1392","0.1349","0.1389","","","","","","1.0852","","","","has coordinates,has disorder","202533","2020-10-21","18:00:00",""
"7044629","22.2262","0.0003","7.12696","0.00011","24.1653","0.0004","90","","99.3801","0.0016","90","","3776.73","0.1","293","2","293","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C43 H Cl N O4 Pt -","- C42 H44 Cl2 N2 O2 Pt -","- C168 H176 Cl8 N8 O8 Pt4 -","4","1","","Liu, Yu; Hao, Zhaoran; Meng, Fanyuan; Wang, Pu; Wang, Yafei; Tan, Hua; Pei, Yong; Su, Shi-Jian","Dual Phosphorescent Emission of Dinuclear Platinum (II) Complexes Incorporating Cyclometallating Pyrenyl-Dipyrdine-Based Ligands and Materials Application in Near-Infrared Solution-Processed Polymer Light-Emitting Diodes","Dalton Transactions","2017","","","","","10.1039/C7DT03282J","","","0.71073","MoKα","","0.0526","0.0354","","","0.0827","0.0889","","","","","","1.049","","","","has coordinates","202534","2020-10-21","18:00:00",""
"7044630","31.0858","0.0008","18.0296","0.0003","21.7917","0.0005","90","","129.261","0.002","90","","9456.5","0.5","293","2","293","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C52 H0.12 N2 O4 Pt2 -","- C52 H60 N2 O4 Pt2 -","- C416 H480 N16 O32 Pt16 -","8","1","","Liu, Yu; Hao, Zhaoran; Meng, Fanyuan; Wang, Pu; Wang, Yafei; Tan, Hua; Pei, Yong; Su, Shi-Jian","Dual Phosphorescent Emission of Dinuclear Platinum (II) Complexes Incorporating Cyclometallating Pyrenyl-Dipyrdine-Based Ligands and Materials Application in Near-Infrared Solution-Processed Polymer Light-Emitting Diodes","Dalton Transactions","2017","","","","","10.1039/C7DT03282J","","","0.71073","MoKα","","0.0582","0.0376","","","0.0837","0.0942","","","","","","1.053","","","","has coordinates","202534","2020-10-21","18:00:00",""
"7044631","27.9885","0.0016","11.9621","0.0008","19.1699","0.0013","90","","105.597","0.002","90","","6181.8","0.7","147","2","147.14","","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C32 H38 B Co F4 N4 -","- C32 H38 B Co F4 N4 -","- C256 H304 B8 Co8 F32 N32 -","8","1","","Hana, Faidh; Lough, Alan; Lavoie, Gino G.","Coordinatively- and Electronically-Unsaturated Square Planar Cobalt(III) Complexes of a Pyridine Dianionic Pincer Ligand","Dalton Transactions","2017","","","","","10.1039/C7DT03674D","","","0.71073","MoKα","","0.0887","0.0492","","","0.1094","0.1297","","","","","","1.011","","","","has coordinates,has disorder","202535","2020-10-21","18:00:00",""
"7044632","8.672","0.0005","14.1009","0.0008","22.5819","0.0015","90","","96.143","0.002","90","","2745.5","0.3","99.6","","99.6","","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C28 H36 Cl2 Co N3 O -","- C28 H36 Cl2 Co N3 O -","- C112 H144 Cl8 Co4 N12 O4 -","4","1","","Hana, Faidh; Lough, Alan; Lavoie, Gino G.","Coordinatively- and Electronically-Unsaturated Square Planar Cobalt(III) Complexes of a Pyridine Dianionic Pincer Ligand","Dalton Transactions","2017","","","","","10.1039/C7DT03674D","","","0.71073","MoKα","","0.0544","0.0363","","","0.0789","0.0872","","","","","","1.021","","","","has coordinates","202535","2020-10-21","18:00:00",""
"7044633","12.7562","0.0008","18.4663","0.0014","14.9532","0.001","90","","98.221","0.002","90","","3486.2","0.4","150","2","150","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C34 H40 Cl2 Co N3 O -","- C34 H40 Cl2 Co N3 O -","- C136 H160 Cl8 Co4 N12 O4 -","4","1","","Hana, Faidh; Lough, Alan; Lavoie, Gino G.","Coordinatively- and Electronically-Unsaturated Square Planar Cobalt(III) Complexes of a Pyridine Dianionic Pincer Ligand","Dalton Transactions","2017","","","","","10.1039/C7DT03674D","","","0.71073","MoKα","","0.0883","0.0497","","","0.1254","0.1446","","","","","","1.025","","","","has coordinates","202535","2020-10-21","18:00:00",""
"7044634","12.7532","0.0003","13.1865","0.0003","11.4773","0.0003","90","","97.36","0.001","90","","1914.24","0.08","100","","100","","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C16 H25 Br N Ni O3 P -","- C16 H25 Br N Ni O3 P -","- C64 H100 Br4 N4 Ni4 O12 P4 -","4","1","","Mangin, Loïc P; Zargarian, Davit","C−H Nickellation of Phenol-Derived Phosphinites: Regioselectivity and Structures of Cyclonickellated Complexes","Dalton Transactions","2017","","","","","10.1039/C7DT03403B","","x-ray","1.54178","CuKα","","0.0386","0.0378","","","0.105","0.1061","","","","","","1.083","","","","has coordinates","202536","2020-10-21","18:00:00",""
"7044635","7.4137","0.0004","9.6993","0.0005","12.7577","0.0007","97.074","0.002","101.279","0.002","111.252","0.002","819.36","0.08","150","","150","","","","","","","","","7","P -1","-P 1","2","","","","- C14 H21 Br N Ni O P -","- C14 H21 Br N Ni O P -","- C28 H42 Br2 N2 Ni2 O2 P2 -","2","1","","Mangin, Loïc P; Zargarian, Davit","C−H Nickellation of Phenol-Derived Phosphinites: Regioselectivity and Structures of Cyclonickellated Complexes","Dalton Transactions","2017","","","","","10.1039/C7DT03403B","","","1.34139","GaKα","","0.0389","0.0384","","","0.108","0.1087","","","","","","1.251","","","","has coordinates","202536","2020-10-21","18:00:00",""
"7044636","24.6811","0.0008","8.6173","0.0003","15.0729","0.0005","90","","104.995","0.001","90","","3096.61","0.18","100","","100","","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C26 H40 Br2 Ni2 O4 P2 -","- C26 H40 Br2 Ni2 O4 P2 -","- C104 H160 Br8 Ni8 O16 P8 -","4","1","","Mangin, Loïc P; Zargarian, Davit","C−H Nickellation of Phenol-Derived Phosphinites: Regioselectivity and Structures of Cyclonickellated Complexes","Dalton Transactions","2017","","","","","10.1039/C7DT03403B","","","1.34139","GaKα","","0.0245","0.0233","","","0.0574","0.0603","","","","","","1.071","","","","has coordinates,has disorder","202536","2020-10-21","18:00:00",""
"7044637","11.0573","0.0003","11.0873","0.0003","12.8018","0.0003","90","","108.869","0.001","90","","1485.1","0.07","100","","100","","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C24 H34 Br2 Cl2 Ni2 O2 P2 -","- C24 H34 Br2 Cl2 Ni2 O2 P2 -","- C48 H68 Br4 Cl4 Ni4 O4 P4 -","2","0.5","","Mangin, Loïc P; Zargarian, Davit","C−H Nickellation of Phenol-Derived Phosphinites: Regioselectivity and Structures of Cyclonickellated Complexes","Dalton Transactions","2017","","","","","10.1039/C7DT03403B","","x-ray","1.54178","CuKα","","0.0276","0.0275","","","0.0738","0.0738","","","","","","1.132","","","","has coordinates","202536","2020-10-21","18:00:00",""
"7044638","10.4265","0.0002","14.2437","0.0003","10.4603","0.0002","90","","105.654","0.001","90","","1495.86","0.05","100","","100","","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C26 H40 Br2 Ni2 O2 P2 -","- C26 H40 Br2 Ni2 O2 P2 -","- C52 H80 Br4 Ni4 O4 P4 -","2","0.5","","Mangin, Loïc P; Zargarian, Davit","C−H Nickellation of Phenol-Derived Phosphinites: Regioselectivity and Structures of Cyclonickellated Complexes","Dalton Transactions","2017","","","","","10.1039/C7DT03403B","","","1.34139","GaKα","","0.0225","0.0223","","","0.0592","0.0595","","","","","","1.1","","","","has coordinates","202536","2020-10-21","18:00:00",""
"7044639","12.7913","0.0005","11.7694","0.0005","19.0246","0.0007","90","","103.627","0.001","90","","2783.45","0.19","100","","100","","","","","","","","","7","C 1 2/c 1","-C 2yc","15","","","","- C24 H34 Br2 F2 Ni2 O2 P2 -","- C24 H34 Br2 F2 Ni2 O2 P2 -","- C96 H136 Br8 F8 Ni8 O8 P8 -","4","0.5","","Mangin, Loïc P; Zargarian, Davit","C−H Nickellation of Phenol-Derived Phosphinites: Regioselectivity and Structures of Cyclonickellated Complexes","Dalton Transactions","2017","","","","","10.1039/C7DT03403B","","x-ray","1.54178","CuKα","","0.0368","0.0366","","","0.1066","0.1067","","","","","","1.271","","","","has coordinates","202536","2020-10-21","18:00:00",""
"7044640","10.4554","0.0001","12.1507","0.0001","11.1255","0.0001","90","","93.38","","90","","1410.93","0.02","100","","100","","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C24 H32 Br2 F4 Ni2 O2 P2 -","- C24 H32 Br2 F4 Ni2 O2 P2 -","- C48 H64 Br4 F8 Ni4 O4 P4 -","2","0.5","","Mangin, Loïc P; Zargarian, Davit","C−H Nickellation of Phenol-Derived Phosphinites: Regioselectivity and Structures of Cyclonickellated Complexes","Dalton Transactions","2017","","","","","10.1039/C7DT03403B","","x-ray","1.54178","CuKα","","0.0203","0.0201","","","0.0505","0.0506","","","","","","1.154","","","","has coordinates","202536","2020-10-21","18:00:00",""
"7044641","15.6689","0.0004","12.3775","0.0003","36.7348","0.001","90","","91.665","0.001","90","","7121.4","0.3","100","","100","","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C36 H44 Br2 Ni2 O2 P2 -","- C36 H44 Br2 Ni2 O2 P2 -","- C288 H352 Br16 Ni16 O16 P16 -","8","4","","Mangin, Loïc P; Zargarian, Davit","C−H Nickellation of Phenol-Derived Phosphinites: Regioselectivity and Structures of Cyclonickellated Complexes","Dalton Transactions","2017","","","","","10.1039/C7DT03403B","","x-ray","1.54178","CuKα","","0.0509","0.0499","","","0.1324","0.1331","","","","","","1.041","","","","has coordinates","202536","2020-10-21","18:00:00",""
"7044642","11.1846","0.0011","11.1021","0.0011","12.8093","0.0013","90","","109.753","0.003","90","","1497","0.3","100","","100","","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C26 H40 Br2 Ni2 O2 P2 -","- C26 H40 Br2 Ni2 O2 P2 -","- C52 H80 Br4 Ni4 O4 P4 -","2","0.5","","Mangin, Loïc P; Zargarian, Davit","C−H Nickellation of Phenol-Derived Phosphinites: Regioselectivity and Structures of Cyclonickellated Complexes","Dalton Transactions","2017","","","","","10.1039/C7DT03403B","","x-ray","1.54178","CuKα","","0.0361","0.0359","","","0.1023","0.1028","","","","","","1.095","","","","has coordinates","202536","2020-10-21","18:00:00",""
"7044643","11.2337","0.0018","11.6733","0.0018","22.478","0.004","98.836","0.003","102.274","0.003","93.903","0.003","2830.6","0.8","296","2","296","2","","","","","","","","6","P -1","-P 1","2","","","","- C30 H27 Br Cu N3 O5.5 -","- C30 H27 Br Cu N3 O5.5 -","- C120 H108 Br4 Cu4 N12 O22 -","4","2","","Qin, Xiuying; Wang, Ya-Nan; Yang, Xin-Ping; Liang, Juan-Juan; Liu, Ji-Lin; Luo, Zhao-Hui","Synthesis, characterization, and anticancer activity of two mixed ligand copper(Ⅱ) complexes by regulating VEGF/VEGFR2 signaling pathway","Dalton Transactions","2017","","","","","10.1039/C7DT03242K","","","0.71073","MoKα","","0.0843","0.0546","","","0.1433","0.1593","","","","","","1.024","","","","has coordinates","206489","2020-10-21","18:00:00",""
"7044644","10.2415","0.0014","11.8918","0.0017","13.6063","0.0019","88.632","0.002","70.613","0.002","66.244","0.002","1419.1","0.3","296","2","296","2","","","","","","","","6","P -1","-P 1","2","","","","- C29 H30 Br Cu N3 O6 -","- C29 H30 Br Cu N3 O6 -","- C58 H60 Br2 Cu2 N6 O12 -","2","1","","Qin, Xiuying; Wang, Ya-Nan; Yang, Xin-Ping; Liang, Juan-Juan; Liu, Ji-Lin; Luo, Zhao-Hui","Synthesis, characterization, and anticancer activity of two mixed ligand copper(Ⅱ) complexes by regulating VEGF/VEGFR2 signaling pathway","Dalton Transactions","2017","","","","","10.1039/C7DT03242K","","","0.71073","MoKα","","0.0456","0.035","","","0.0956","0.1017","","","","","","1.049","","","","has coordinates","202537","2020-10-21","18:00:00",""
"7044645","10.439","0.003","12.582","0.004","15.443","0.006","90","","92.263","0.014","90","","2026.8","1.2","298","","298","","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","","","- C23 H26 N4 -","- C23 H26 N4 -","- C92 H104 N16 -","4","1","","Bando, Masayoshi; Mizukami, Yuki; Nakajima, Kiyohiko; Song, Zhiying; Takahashi, Tamotsu","Formation of spiro compound via coupling of cyclopentadienyl ligand with diene moiety of titanacyclopentadiene","Dalton Transactions","2017","","","","","10.1039/C7DT03789A","","","0.71075","MoKα","","0.0533","0.0429","","","0.1181","0.1263","","","","","","1.029","","","","has coordinates","202588","2020-10-21","18:00:00",""
"7044646","14.7133","0.001","20.3718","0.0013","23.0817","0.0015","90","","103.262","0.001","90","","6733.9","0.8","100","2","100","2","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C73 H68 Cl6 Fe O Os P3 -","- C73 H68 Cl6 Fe O Os P3 -","- C292 H272 Cl24 Fe4 O4 Os4 P12 -","4","1","","Liu, Bin; Guo, Chun-Lan; Liu, Wen-Xia; Guo, Ming-E.; Yan, Feng; Xue, Lu-Sha; Wang, Huijuan; Liu, Chang-Lin; Jin, Shan","Syntheses, structural characterisation and electronic structures of ferrocenyl-osmafuran heterobinuclear organometallic complexes","Dalton Transactions","2017","","","","","10.1039/C7DT03145A","","","0.71073","MoKα","","0.046","0.0378","","","0.1065","0.1132","","","","","","1.089","","","","has coordinates","202589","2020-10-21","18:00:00",""
"7044647","11.3898","0.0019","13.782","0.002","22.283","0.004","95.356","0.002","97.768","0.002","111.383","0.002","3188.4","0.9","100","2","100","2","","","","","","","","9","P -1","-P 1","2","","","","- C71 H59 Cl4 Fe N2 O Os P3 S2 -","- C71 H59 Cl4 Fe N2 O Os P3 S2 -","- C142 H118 Cl8 Fe2 N4 O2 Os2 P6 S4 -","2","1","","Liu, Bin; Guo, Chun-Lan; Liu, Wen-Xia; Guo, Ming-E.; Yan, Feng; Xue, Lu-Sha; Wang, Huijuan; Liu, Chang-Lin; Jin, Shan","Syntheses, structural characterisation and electronic structures of ferrocenyl-osmafuran heterobinuclear organometallic complexes","Dalton Transactions","2017","","","","","10.1039/C7DT03145A","","","0.71073","MoKα","","0.0634","0.0608","","","0.1721","0.1805","","","","","","1.062","","","","has coordinates","202589","2020-10-21","18:00:00",""
"7044648","12.8226","0.0008","21.1839","0.0014","22.4869","0.0015","90","","103.809","0.001","90","","5931.6","0.7","100","2","100","2","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C61.5 H58 Cl7 Fe O Os P3 -","- C61.5 H58 Cl7 Fe O Os P3 -","- C246 H232 Cl28 Fe4 O4 Os4 P12 -","4","1","","Liu, Bin; Guo, Chun-Lan; Liu, Wen-Xia; Guo, Ming-E.; Yan, Feng; Xue, Lu-Sha; Wang, Huijuan; Liu, Chang-Lin; Jin, Shan","Syntheses, structural characterisation and electronic structures of ferrocenyl-osmafuran heterobinuclear organometallic complexes","Dalton Transactions","2017","","","","","10.1039/C7DT03145A","","","0.71073","MoKα","","0.051","0.0374","","","0.1012","0.1119","","","","","","1.039","","","","has coordinates","202589","2020-10-21","18:00:00",""
"7044649","7.7878","0.0013","34.714","0.006","7.1082","0.0011","90","","105.722","0.002","90","","1849.8","0.5","296","2","296","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C36 H38 Co N4 O12 S2 -","- C36 H38 Co N4 O12 S2 -","- C72 H76 Co2 N8 O24 S4 -","2","0.5","","Shi, Hua-Tian; Li, Xiu-Xiu; Wu, Fang-Hui; Yu, Weibin","Electrocatalytic Oxygen Evolution with a Cobalt Complex","Dalton Transactions","2017","","","","","10.1039/C7DT03653A","","","0.71073","MoKα","","0.1048","0.072","","","0.1857","0.2071","","","","","","0.959","","","","has coordinates","202590","2020-10-21","18:00:00",""
"7044650","11.8893","0.0005","11.8893","0.0005","42.742","0.002","90","","90","","90","","6041.8","0.5","193","2","193","2","","","","","","","","6","I 41/a","-I 4ad","88","","","","- C26 H27 Cl2 Co N6 O10 -","- C26 H22 Cl2 Co N6 O10 -","- C208 H176 Cl16 Co8 N48 O80 -","8","","","Carmos dos Santos, Nadia Alessandra; Natali, Mirco; Badetti, Elena; Wurst, Klaus; Licini, Giulia; ZONTA, CRISTIANO","Cobalt, nickel, and iron complexes of 8-hydroxyquinoline-di(2-picolyl)amine for light-driven hydrogen evolution","Dalton Transactions","2017","","","","","10.1039/C7DT02666H","","","0.71073","MoKα","","0.0655","0.046","","","0.1081","0.1168","","","","","","1.027","","","","has coordinates,has disorder","202591","2020-10-21","18:00:00",""
"7044651","12.5578","0.0004","12.6591","0.0005","18.4393","0.0006","86.2019","0.0014","83.5197","0.0014","68.4545","0.0013","2708.09","0.17","183","2","183","2","","","","","","","","6","P -1","-P 1","2","","","","- C50 H48 Cl3 Fe2 N11 O15 -","- C50 H48 Cl3 Fe2 N11 O15 -","- C100 H96 Cl6 Fe4 N22 O30 -","2","1","","Carmos dos Santos, Nadia Alessandra; Natali, Mirco; Badetti, Elena; Wurst, Klaus; Licini, Giulia; ZONTA, CRISTIANO","Cobalt, nickel, and iron complexes of 8-hydroxyquinoline-di(2-picolyl)amine for light-driven hydrogen evolution","Dalton Transactions","2017","","","","","10.1039/C7DT02666H","","","0.71073","MoKα","","0.0513","0.0393","","","0.1021","0.1082","","","","","","1.04","","","","has coordinates","202591","2020-10-21","18:00:00",""
"7044652","13.5504","0.0008","12.8989","0.0008","7.8275","0.0004","90","","94.392","0.006","90","","1364.11","0.14","330","2","330","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C4 H7 I4 N2 Sb -","- C4 H7 I4 N2 Sb -","- C16 H28 I16 N8 Sb4 -","4","0.5","","Gągor, Anna; Banach, Grzegorz; Węławik, Magdalena; Piecha-Bisiorek, Anna; Jakubas, Ryszard","The lone-pair-electron-driven phase transition and order-disorder processes in thermochromic (2-MIm)SbI4 organic-inorganic hybrid","Dalton Transactions","2017","","","","","10.1039/C7DT03622A","","","0.7107","MoKα","","0.0309","0.0273","","","0.0911","0.094","","","","","","1.101","","","","has coordinates,has disorder","202879","2020-10-21","18:00:00",""
"7044653","11.366","0.002","11.65","0.002","11.659","0.002","90","","90","","90","","1543.8","0.5","293","2","293","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C7 H17 B5 N2 O10 -","- C7 H17 B5 N2 O10 -","- C28 H68 B20 N8 O40 -","4","1","","Pan, Chun-Yang; Zhou, Kang; Li, Jun; Zhao, Feng-Hua; Liu, Zhi-Qiang; Chen, Zhuo-Qing","Temperature dependence of photoluminescence and hydrogen bonding revealed for the first time in templated borate family: synthesis, structure and properties of a pentborate [Emmim][B5O6(OH)4]","Dalton Transactions","2017","","","","","10.1039/C7DT03896H","","","0.71073","MoKα","","0.1114","0.0782","","","0.2075","0.2322","","","","","","1.41","","","","has coordinates","206489","2020-10-21","18:00:00",""
"7044654","7.8254","0.0005","12.3142","0.0008","12.515","0.0009","102.12","0.006","98.179","0.006","90.704","0.005","1166.01","0.14","295","2","295","2","","","","","","","","5","P -1","-P 1","2","","","","- C15 H22 La O20 S2 -","- C15 H22 La O20 S2 -","- C30 H44 La2 O40 S4 -","2","1","","Xiao, Ying-Hui; Deng, Zhaopeng; Zhu, Zhi-Biao; Huo, Li-Hua; Gao, Shan","Rare Earth Metal-Organic Complexes Constructed from Hydroxyl and Carboxyl Modified Arenesulfonate: Syntheses, Structure Evolutions, Ultraviolet, Visible and Near-Infrared Luminescence","Dalton Transactions","2017","","","","","10.1039/C7DT03254D","","","0.71073","MoKα","","0.0668","0.0611","","","0.1511","0.1561","","","","","","1.098","","","","has coordinates","202881","2020-10-21","18:00:00",""
"7044655","7.9284","0.0003","12.3932","0.0006","15.1406","0.0007","107.264","0.004","96.798","0.003","96.614","0.003","1392.84","0.11","295","2","295","2","","","","","","","","5","P -1","-P 1","2","","","","- C30 H60 Nd2 O48 S4 -","- C30 H60 Nd2 O48 S4 -","- C30 H60 Nd2 O48 S4 -","1","0.5","","Xiao, Ying-Hui; Deng, Zhaopeng; Zhu, Zhi-Biao; Huo, Li-Hua; Gao, Shan","Rare Earth Metal-Organic Complexes Constructed from Hydroxyl and Carboxyl Modified Arenesulfonate: Syntheses, Structure Evolutions, Ultraviolet, Visible and Near-Infrared Luminescence","Dalton Transactions","2017","","","","","10.1039/C7DT03254D","","","0.71073","MoKα","","0.0425","0.0345","","","0.0679","0.0725","","","","","","1.05","","","","has coordinates","202881","2020-10-21","18:00:00",""
"7044656","21.5538","0.0013","7.6181","0.0005","12.2261","0.0009","90","","101.022","0.006","90","","1970.5","0.2","295","2","295","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C7 H25 O20 S2 Tm -","- C7 H25 O20 S2 Tm -","- C28 H100 O80 S8 Tm4 -","4","1","","Xiao, Ying-Hui; Deng, Zhaopeng; Zhu, Zhi-Biao; Huo, Li-Hua; Gao, Shan","Rare Earth Metal-Organic Complexes Constructed from Hydroxyl and Carboxyl Modified Arenesulfonate: Syntheses, Structure Evolutions, Ultraviolet, Visible and Near-Infrared Luminescence","Dalton Transactions","2017","","","","","10.1039/C7DT03254D","","","0.71073","MoKα","","0.0936","0.0788","","","0.1993","0.2142","","","","","","1.02","","","","has coordinates","202881","2020-10-21","18:00:00",""
"7044657","21.5318","0.001","7.5936","0.0003","12.2444","0.0007","90","","100.94","0.005","90","","1965.62","0.17","295","2","295","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C7 H25 O20 S2 Yb -","- C7 H23 O20 S2 Yb -","- C28 H92 O80 S8 Yb4 -","4","1","","Xiao, Ying-Hui; Deng, Zhaopeng; Zhu, Zhi-Biao; Huo, Li-Hua; Gao, Shan","Rare Earth Metal-Organic Complexes Constructed from Hydroxyl and Carboxyl Modified Arenesulfonate: Syntheses, Structure Evolutions, Ultraviolet, Visible and Near-Infrared Luminescence","Dalton Transactions","2017","","","","","10.1039/C7DT03254D","","","0.71073","MoKα","","0.0514","0.0428","","","0.094","0.1013","","","","","","1.091","","","","has coordinates","202881","2020-10-21","18:00:00",""
"7044658","21.615","0.0009","7.6224","0.0003","12.2659","0.0007","90","","101.123","0.005","90","","1982.95","0.16","295","2","295","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C7 H25 Er O20 S2 -","- C7 H25 Er O20 S2 -","- C28 H100 Er4 O80 S8 -","4","1","","Xiao, Ying-Hui; Deng, Zhaopeng; Zhu, Zhi-Biao; Huo, Li-Hua; Gao, Shan","Rare Earth Metal-Organic Complexes Constructed from Hydroxyl and Carboxyl Modified Arenesulfonate: Syntheses, Structure Evolutions, Ultraviolet, Visible and Near-Infrared Luminescence","Dalton Transactions","2017","","","","","10.1039/C7DT03254D","","","0.71073","MoKα","","0.05","0.0389","","","0.0799","0.0875","","","","","","1.042","","","","has coordinates","202881","2020-10-21","18:00:00",""
"7044659","21.6467","0.0007","7.6433","0.0003","12.2972","0.0006","90","","101.007","0.004","90","","1997.17","0.14","295","2","295","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C7 H25 O20 S2 Y -","- C7 H25 O20 S2 Y -","- C28 H100 O80 S8 Y4 -","4","1","","Xiao, Ying-Hui; Deng, Zhaopeng; Zhu, Zhi-Biao; Huo, Li-Hua; Gao, Shan","Rare Earth Metal-Organic Complexes Constructed from Hydroxyl and Carboxyl Modified Arenesulfonate: Syntheses, Structure Evolutions, Ultraviolet, Visible and Near-Infrared Luminescence","Dalton Transactions","2017","","","","","10.1039/C7DT03254D","","","0.71073","MoKα","","0.0789","0.0533","","","0.1119","0.1233","","","","","","1.033","","","","has coordinates","202881","2020-10-21","18:00:00",""
"7044660","21.5768","0.0006","7.5992","0.0002","12.288","0.0004","90","","100.92","0.003","90","","1978.34","0.1","295","2","295","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C7 H25 Lu O20 S2 -","- C7 H25 Lu O20 S2 -","- C28 H100 Lu4 O80 S8 -","4","1","","Xiao, Ying-Hui; Deng, Zhaopeng; Zhu, Zhi-Biao; Huo, Li-Hua; Gao, Shan","Rare Earth Metal-Organic Complexes Constructed from Hydroxyl and Carboxyl Modified Arenesulfonate: Syntheses, Structure Evolutions, Ultraviolet, Visible and Near-Infrared Luminescence","Dalton Transactions","2017","","","","","10.1039/C7DT03254D","","","0.71073","MoKα","","0.0507","0.0409","","","0.0868","0.0951","","","","","","1.031","","","","has coordinates","202881","2020-10-21","18:00:00",""
"7044661","21.6475","0.0008","7.6506","0.0003","12.2817","0.0005","90","","101.053","0.004","90","","1996.32","0.14","295","2","295","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C7 H25 Ho O20 S2 -","- C7 H25 Ho O20 S2 -","- C28 H100 Ho4 O80 S8 -","4","1","","Xiao, Ying-Hui; Deng, Zhaopeng; Zhu, Zhi-Biao; Huo, Li-Hua; Gao, Shan","Rare Earth Metal-Organic Complexes Constructed from Hydroxyl and Carboxyl Modified Arenesulfonate: Syntheses, Structure Evolutions, Ultraviolet, Visible and Near-Infrared Luminescence","Dalton Transactions","2017","","","","","10.1039/C7DT03254D","","","0.71073","MoKα","","0.0459","0.0366","","","0.0809","0.0885","","","","","","1.057","","","","has coordinates","202881","2020-10-21","18:00:00",""
"7044662","10.8891","0.0003","9.3172","0.0003","12.0758","0.0003","90","","91.687","0.003","90","","1224.63","0.06","295","2","295","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C7 H11 Er O10 S -","- C7 H11 Er O10 S -","- C28 H44 Er4 O40 S4 -","4","1","","Xiao, Ying-Hui; Deng, Zhaopeng; Zhu, Zhi-Biao; Huo, Li-Hua; Gao, Shan","Rare Earth Metal-Organic Complexes Constructed from Hydroxyl and Carboxyl Modified Arenesulfonate: Syntheses, Structure Evolutions, Ultraviolet, Visible and Near-Infrared Luminescence","Dalton Transactions","2017","","","","","10.1039/C7DT03254D","","","0.71073","MoKα","","0.0551","0.0405","","","0.0782","0.0857","","","","","","1.016","","","","has coordinates","202881","2020-10-21","18:00:00",""
"7044663","10.8795","0.0003","9.3023","0.0002","12.0554","0.0003","90","","91.715","0.002","90","","1219.51","0.05","295","2","295","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C7 H11 O10 S Tm -","- C7 H11 O10 S Tm -","- C28 H44 O40 S4 Tm4 -","4","1","","Xiao, Ying-Hui; Deng, Zhaopeng; Zhu, Zhi-Biao; Huo, Li-Hua; Gao, Shan","Rare Earth Metal-Organic Complexes Constructed from Hydroxyl and Carboxyl Modified Arenesulfonate: Syntheses, Structure Evolutions, Ultraviolet, Visible and Near-Infrared Luminescence","Dalton Transactions","2017","","","","","10.1039/C7DT03254D","","","0.71073","MoKα","","0.0447","0.0332","","","0.0507","0.0547","","","","","","1.004","","","","has coordinates","202881","2020-10-21","18:00:00",""
"7044664","11.9718","0.0003","8.51291","0.00018","18.0845","0.0003","90","","103.004","0.0019","90","","1795.81","0.07","295","2","295","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C19 H13 N2 Nd O7 S -","- C19 H13 N2 Nd O7 S -","- C76 H52 N8 Nd4 O28 S4 -","4","1","","Xiao, Ying-Hui; Deng, Zhaopeng; Zhu, Zhi-Biao; Huo, Li-Hua; Gao, Shan","Rare Earth Metal-Organic Complexes Constructed from Hydroxyl and Carboxyl Modified Arenesulfonate: Syntheses, Structure Evolutions, Ultraviolet, Visible and Near-Infrared Luminescence","Dalton Transactions","2017","","","","","10.1039/C7DT03254D","","","0.71073","MoKα","","0.0382","0.0304","","","0.0669","0.0721","","","","","","1.041","","","","has coordinates","202881","2020-10-21","18:00:00",""
"7044665","12.0291","0.0004","8.5249","0.0003","18.2684","0.0007","90","","102.318","0.003","90","","1830.24","0.11","295","2","295","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C19 H13 La N2 O7 S -","- C19 H13 La N2 O7 S -","- C76 H52 La4 N8 O28 S4 -","4","1","","Xiao, Ying-Hui; Deng, Zhaopeng; Zhu, Zhi-Biao; Huo, Li-Hua; Gao, Shan","Rare Earth Metal-Organic Complexes Constructed from Hydroxyl and Carboxyl Modified Arenesulfonate: Syntheses, Structure Evolutions, Ultraviolet, Visible and Near-Infrared Luminescence","Dalton Transactions","2017","","","","","10.1039/C7DT03254D","","","0.71073","MoKα","","0.0395","0.0296","","","0.0537","0.0591","","","","","","1.054","","","","has coordinates","202881","2020-10-21","18:00:00",""
"7044666","11.9937","0.0004","8.5177","0.0002","18.1162","0.0005","90","","102.778","0.003","90","","1804.89","0.09","295","2","295","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C19 H13 N2 O7 Pr S -","- C19 H13 N2 O7 Pr S -","- C76 H52 N8 O28 Pr4 S4 -","4","1","","Xiao, Ying-Hui; Deng, Zhaopeng; Zhu, Zhi-Biao; Huo, Li-Hua; Gao, Shan","Rare Earth Metal-Organic Complexes Constructed from Hydroxyl and Carboxyl Modified Arenesulfonate: Syntheses, Structure Evolutions, Ultraviolet, Visible and Near-Infrared Luminescence","Dalton Transactions","2017","","","","","10.1039/C7DT03254D","","","0.71073","MoKα","","0.0388","0.0303","","","0.0648","0.0707","","","","","","1.051","","","","has coordinates","202881","2020-10-21","18:00:00",""
"7044667","10.8598","0.0017","9.2912","0.0016","12.048","0.0018","90","","91.702","0.013","90","","1215.1","0.3","295","2","295","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C7 H11 O10 S Yb -","- C7 H11 O10 S Yb -","- C28 H44 O40 S4 Yb4 -","4","1","","Xiao, Ying-Hui; Deng, Zhaopeng; Zhu, Zhi-Biao; Huo, Li-Hua; Gao, Shan","Rare Earth Metal-Organic Complexes Constructed from Hydroxyl and Carboxyl Modified Arenesulfonate: Syntheses, Structure Evolutions, Ultraviolet, Visible and Near-Infrared Luminescence","Dalton Transactions","2017","","","","","10.1039/C7DT03254D","","","0.71073","MoKα","","0.0792","0.0686","","","0.1717","0.1845","","","","","","1.058","","","","has coordinates","202881","2020-10-21","18:00:00",""
"7044668","11.1787","0.0007","8.5094","0.0003","17.7717","0.001","90","","107.669","0.007","90","","1610.77","0.16","295","2","295","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C17 H13 N2 O7 S Y -","- C17 H13 N2 O7 S Y -","- C68 H52 N8 O28 S4 Y4 -","4","1","","Xiao, Ying-Hui; Deng, Zhaopeng; Zhu, Zhi-Biao; Huo, Li-Hua; Gao, Shan","Rare Earth Metal-Organic Complexes Constructed from Hydroxyl and Carboxyl Modified Arenesulfonate: Syntheses, Structure Evolutions, Ultraviolet, Visible and Near-Infrared Luminescence","Dalton Transactions","2017","","","","","10.1039/C7DT03254D","","","0.71073","MoKα","","0.0826","0.0527","","","0.1025","0.1161","","","","","","1.077","","","","has coordinates","202881","2020-10-21","18:00:00",""
"7044669","10.8405","0.0004","9.2489","0.0003","12.042","0.0004","90","","91.702","0.003","90","","1206.83","0.07","295","2","295","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C7 H11 Lu O10 S -","- C7 H11 Lu O10 S -","- C28 H44 Lu4 O40 S4 -","4","1","","Xiao, Ying-Hui; Deng, Zhaopeng; Zhu, Zhi-Biao; Huo, Li-Hua; Gao, Shan","Rare Earth Metal-Organic Complexes Constructed from Hydroxyl and Carboxyl Modified Arenesulfonate: Syntheses, Structure Evolutions, Ultraviolet, Visible and Near-Infrared Luminescence","Dalton Transactions","2017","","","","","10.1039/C7DT03254D","","","0.71073","MoKα","","0.0367","0.0297","","","0.063","0.067","","","","","","1.022","","","","has coordinates","202881","2020-10-21","18:00:00",""
"7044670","11.2702","0.0003","8.58496","0.00016","18.276","0.0004","90","","107.839","0.002","90","","1683.26","0.07","295","2","295","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C17 H13 N2 O7 Pr S -","- C17 H13 N2 O7 Pr S -","- C68 H52 N8 O28 Pr4 S4 -","4","1","","Xiao, Ying-Hui; Deng, Zhaopeng; Zhu, Zhi-Biao; Huo, Li-Hua; Gao, Shan","Rare Earth Metal-Organic Complexes Constructed from Hydroxyl and Carboxyl Modified Arenesulfonate: Syntheses, Structure Evolutions, Ultraviolet, Visible and Near-Infrared Luminescence","Dalton Transactions","2017","","","","","10.1039/C7DT03254D","","","0.71073","MoKα","","0.0382","0.0303","","","0.0568","0.0619","","","","","","1.035","","","","has coordinates","202881","2020-10-21","18:00:00",""
"7044671","11.2649","0.0008","8.5729","0.0003","18.2321","0.0009","90","","108.005","0.008","90","","1674.5","0.17","295","2","295","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C17 H13 N2 Nd O7 S -","- C17 H13 N2 Nd O7 S -","- C68 H52 N8 Nd4 O28 S4 -","4","1","","Xiao, Ying-Hui; Deng, Zhaopeng; Zhu, Zhi-Biao; Huo, Li-Hua; Gao, Shan","Rare Earth Metal-Organic Complexes Constructed from Hydroxyl and Carboxyl Modified Arenesulfonate: Syntheses, Structure Evolutions, Ultraviolet, Visible and Near-Infrared Luminescence","Dalton Transactions","2017","","","","","10.1039/C7DT03254D","","","0.71073","MoKα","","0.0357","0.0284","","","0.0569","0.0619","","","","","","1.053","","","","has coordinates","202881","2020-10-21","18:00:00",""
"7044672","11.1687","0.0004","8.4946","0.0003","17.7855","0.0006","90","","107.588","0.004","90","","1608.5","0.1","295","2","295","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C17 H13 Ho N2 O7 S -","- C17 H13 Ho N2 O7 S -","- C68 H52 Ho4 N8 O28 S4 -","4","1","","Xiao, Ying-Hui; Deng, Zhaopeng; Zhu, Zhi-Biao; Huo, Li-Hua; Gao, Shan","Rare Earth Metal-Organic Complexes Constructed from Hydroxyl and Carboxyl Modified Arenesulfonate: Syntheses, Structure Evolutions, Ultraviolet, Visible and Near-Infrared Luminescence","Dalton Transactions","2017","","","","","10.1039/C7DT03254D","","","0.71073","MoKα","","0.0547","0.0381","","","0.0579","0.0642","","","","","","1.001","","","","has coordinates","202881","2020-10-21","18:00:00",""
"7044673","11.1794","0.0002","8.5049","0.00016","17.8416","0.0004","90","","107.657","0.002","90","","1616.46","0.06","295","2","295","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C17 H13 Dy N2 O7 S -","- C17 H13 Dy N2 O7 S -","- C68 H52 Dy4 N8 O28 S4 -","4","1","","Xiao, Ying-Hui; Deng, Zhaopeng; Zhu, Zhi-Biao; Huo, Li-Hua; Gao, Shan","Rare Earth Metal-Organic Complexes Constructed from Hydroxyl and Carboxyl Modified Arenesulfonate: Syntheses, Structure Evolutions, Ultraviolet, Visible and Near-Infrared Luminescence","Dalton Transactions","2017","","","","","10.1039/C7DT03254D","","","0.71073","MoKα","","0.0411","0.0296","","","0.0495","0.0532","","","","","","1.012","","","","has coordinates","202881","2020-10-21","18:00:00",""
"7044674","7.9008","0.0004","12.3804","0.0006","15.0796","0.0007","107.26","0.004","96.89","0.004","96.645","0.004","1380.49","0.12","295","2","295","2","","","","","","","","5","P -1","-P 1","2","","","","- C30 H60 Eu2 O48 S4 -","- C30 H60 Eu2 O48 S4 -","- C30 H60 Eu2 O48 S4 -","1","0.5","","Xiao, Ying-Hui; Deng, Zhaopeng; Zhu, Zhi-Biao; Huo, Li-Hua; Gao, Shan","Rare Earth Metal-Organic Complexes Constructed from Hydroxyl and Carboxyl Modified Arenesulfonate: Syntheses, Structure Evolutions, Ultraviolet, Visible and Near-Infrared Luminescence","Dalton Transactions","2017","","","","","10.1039/C7DT03254D","","","0.71073","MoKα","","0.0413","0.0339","","","0.0674","0.0711","","","","","","1.008","","","","has coordinates","202881","2020-10-21","18:00:00",""
"7044675","11.3057","0.0003","8.60327","0.0002","18.4261","0.0004","90","","107.497","0.003","90","","1709.31","0.08","295","2","295","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C17 H13 La N2 O7 S -","- C17 H13 La N2 O7 S -","- C68 H52 La4 N8 O28 S4 -","4","1","","Xiao, Ying-Hui; Deng, Zhaopeng; Zhu, Zhi-Biao; Huo, Li-Hua; Gao, Shan","Rare Earth Metal-Organic Complexes Constructed from Hydroxyl and Carboxyl Modified Arenesulfonate: Syntheses, Structure Evolutions, Ultraviolet, Visible and Near-Infrared Luminescence","Dalton Transactions","2017","","","","","10.1039/C7DT03254D","","","0.71073","MoKα","","0.0414","0.0321","","","0.0585","0.0635","","","","","","1.037","","","","has coordinates","202881","2020-10-21","18:00:00",""
"7044676","11.2266","0.0004","8.5445","0.0003","18.0467","0.0006","90","","107.81","0.004","90","","1648.18","0.11","295","2","295","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C17 H13 Eu N2 O7 S -","- C17 H13 Eu N2 O7 S -","- C68 H52 Eu4 N8 O28 S4 -","4","1","","Xiao, Ying-Hui; Deng, Zhaopeng; Zhu, Zhi-Biao; Huo, Li-Hua; Gao, Shan","Rare Earth Metal-Organic Complexes Constructed from Hydroxyl and Carboxyl Modified Arenesulfonate: Syntheses, Structure Evolutions, Ultraviolet, Visible and Near-Infrared Luminescence","Dalton Transactions","2017","","","","","10.1039/C7DT03254D","","","0.71073","MoKα","","0.0441","0.0313","","","0.0564","0.0609","","","","","","1.011","","","","has coordinates","202881","2020-10-21","18:00:00",""
"7044677","11.1852","0.0003","8.5087","0.0002","17.9015","0.0004","90","","107.712","0.003","90","","1622.95","0.07","295","2","295","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C17 H13 N2 O7 S Tb -","- C17 H13 N2 O7 S Tb -","- C68 H52 N8 O28 S4 Tb4 -","4","1","","Xiao, Ying-Hui; Deng, Zhaopeng; Zhu, Zhi-Biao; Huo, Li-Hua; Gao, Shan","Rare Earth Metal-Organic Complexes Constructed from Hydroxyl and Carboxyl Modified Arenesulfonate: Syntheses, Structure Evolutions, Ultraviolet, Visible and Near-Infrared Luminescence","Dalton Transactions","2017","","","","","10.1039/C7DT03254D","","","0.71073","MoKα","","0.0498","0.0365","","","0.0739","0.0803","","","","","","1.036","","","","has coordinates","202881","2020-10-21","18:00:00",""
"7044678","7.9111","0.0005","12.3804","0.0006","15.0892","0.0009","107.252","0.005","96.881","0.005","96.565","0.005","1383.6","0.15","295","2","295","2","","","","","","","","5","P -1","-P 1","2","","","","- C30 H60 O48 S4 Sm2 -","- C30 H60 O48 S4 Sm2 -","- C30 H60 O48 S4 Sm2 -","1","0.5","","Xiao, Ying-Hui; Deng, Zhaopeng; Zhu, Zhi-Biao; Huo, Li-Hua; Gao, Shan","Rare Earth Metal-Organic Complexes Constructed from Hydroxyl and Carboxyl Modified Arenesulfonate: Syntheses, Structure Evolutions, Ultraviolet, Visible and Near-Infrared Luminescence","Dalton Transactions","2017","","","","","10.1039/C7DT03254D","","","0.71073","MoKα","","0.0518","0.0433","","","0.0984","0.105","","","","","","1.037","","","","has coordinates","202881","2020-10-21","18:00:00",""
"7044679","7.9036","0.0007","12.3541","0.0008","15.0517","0.001","107.339","0.006","96.737","0.006","96.821","0.006","1374.76","0.19","295","2","295","2","","","","","","","","5","P -1","-P 1","2","","","","- C30 H60 Gd2 O48 S4 -","- C30 H60 Gd2 O48 S4 -","- C30 H60 Gd2 O48 S4 -","1","0.5","","Xiao, Ying-Hui; Deng, Zhaopeng; Zhu, Zhi-Biao; Huo, Li-Hua; Gao, Shan","Rare Earth Metal-Organic Complexes Constructed from Hydroxyl and Carboxyl Modified Arenesulfonate: Syntheses, Structure Evolutions, Ultraviolet, Visible and Near-Infrared Luminescence","Dalton Transactions","2017","","","","","10.1039/C7DT03254D","","","0.71073","MoKα","","0.0344","0.0295","","","0.0632","0.0655","","","","","","1.026","","","","has coordinates","202881","2020-10-21","18:00:00",""
"7044680","7.8588","0.0003","12.3336","0.0006","15.0079","0.001","107.378","0.005","97.003","0.004","96.478","0.003","1360.71","0.13","295","2","295","2","","","","","","","","5","P -1","-P 1","2","","","","- C30 H60 Dy2 O48 S4 -","- C30 H60 Dy2 O48 S4 -","- C30 H60 Dy2 O48 S4 -","1","0.5","","Xiao, Ying-Hui; Deng, Zhaopeng; Zhu, Zhi-Biao; Huo, Li-Hua; Gao, Shan","Rare Earth Metal-Organic Complexes Constructed from Hydroxyl and Carboxyl Modified Arenesulfonate: Syntheses, Structure Evolutions, Ultraviolet, Visible and Near-Infrared Luminescence","Dalton Transactions","2017","","","","","10.1039/C7DT03254D","","","0.71073","MoKα","","0.0413","0.0341","","","0.0574","0.0606","","","","","","1.012","","","","has coordinates","202881","2020-10-21","18:00:00",""
"7044681","11.218","0.0005","8.5475","0.0003","17.9929","0.0009","90","","107.729","0.005","90","","1643.33","0.13","295","2","295","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C17 H13 Gd N2 O7 S -","- C17 H13 Gd N2 O7 S -","- C68 H52 Gd4 N8 O28 S4 -","4","1","","Xiao, Ying-Hui; Deng, Zhaopeng; Zhu, Zhi-Biao; Huo, Li-Hua; Gao, Shan","Rare Earth Metal-Organic Complexes Constructed from Hydroxyl and Carboxyl Modified Arenesulfonate: Syntheses, Structure Evolutions, Ultraviolet, Visible and Near-Infrared Luminescence","Dalton Transactions","2017","","","","","10.1039/C7DT03254D","","","0.71073","MoKα","","0.0508","0.0384","","","0.0669","0.0729","","","","","","1.062","","","","has coordinates","202881","2020-10-21","18:00:00",""
"7044682","11.2394","0.0003","8.5661","0.0002","18.1081","0.0004","90","","107.825","0.003","90","","1659.72","0.07","295","2","295","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C17 H13 N2 O7 S Sm -","- C17 H13 N2 O7 S Sm -","- C68 H52 N8 O28 S4 Sm4 -","4","1","","Xiao, Ying-Hui; Deng, Zhaopeng; Zhu, Zhi-Biao; Huo, Li-Hua; Gao, Shan","Rare Earth Metal-Organic Complexes Constructed from Hydroxyl and Carboxyl Modified Arenesulfonate: Syntheses, Structure Evolutions, Ultraviolet, Visible and Near-Infrared Luminescence","Dalton Transactions","2017","","","","","10.1039/C7DT03254D","","","0.71073","MoKα","","0.0464","0.0335","","","0.0584","0.0662","","","","","","1.034","","","","has coordinates","202881","2020-10-21","18:00:00",""
"7044683","7.8714","0.0005","12.3614","0.0007","15.0485","0.0008","107.37","0.005","97.074","0.005","96.371","0.005","1369.86","0.15","295","2","295","2","","","","","","","","5","P -1","-P 1","2","","","","- C30 H60 O48 S4 Tb2 -","- C30 H60 O48 S4 Tb2 -","- C30 H60 O48 S4 Tb2 -","1","0.5","","Xiao, Ying-Hui; Deng, Zhaopeng; Zhu, Zhi-Biao; Huo, Li-Hua; Gao, Shan","Rare Earth Metal-Organic Complexes Constructed from Hydroxyl and Carboxyl Modified Arenesulfonate: Syntheses, Structure Evolutions, Ultraviolet, Visible and Near-Infrared Luminescence","Dalton Transactions","2017","","","","","10.1039/C7DT03254D","","","0.71073","MoKα","","0.0432","0.0357","","","0.076","0.0816","","","","","","1.03","","","","has coordinates","202881","2020-10-21","18:00:00",""
"7044684","11.9619","0.0003","8.48361","0.00018","17.995","0.0004","90","","103.186","0.002","90","","1777.99","0.07","295","2","295","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C19 H13 N2 O7 S Sm -","- C19 H13 N2 O7 S Sm -","- C76 H52 N8 O28 S4 Sm4 -","4","1","","Xiao, Ying-Hui; Deng, Zhaopeng; Zhu, Zhi-Biao; Huo, Li-Hua; Gao, Shan","Rare Earth Metal-Organic Complexes Constructed from Hydroxyl and Carboxyl Modified Arenesulfonate: Syntheses, Structure Evolutions, Ultraviolet, Visible and Near-Infrared Luminescence","Dalton Transactions","2017","","","","","10.1039/C7DT03254D","","","0.71073","MoKα","","0.0434","0.0302","","","0.0534","0.0581","","","","","","1.019","","","","has coordinates","202882","2020-10-21","18:00:00",""
"7044685","11.60661","0.00019","14.8753","0.0002","17.4492","0.0003","90","","104.608","0.0017","90","","2915.24","0.08","295","2","295","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C31 H20 N5 O9 S Yb -","- C31 H20 N5 O9 S Yb -","- C124 H80 N20 O36 S4 Yb4 -","4","1","","Xiao, Ying-Hui; Deng, Zhaopeng; Zhu, Zhi-Biao; Huo, Li-Hua; Gao, Shan","Rare Earth Metal-Organic Complexes Constructed from Hydroxyl and Carboxyl Modified Arenesulfonate: Syntheses, Structure Evolutions, Ultraviolet, Visible and Near-Infrared Luminescence","Dalton Transactions","2017","","","","","10.1039/C7DT03254D","","","0.71073","MoKα","","0.0478","0.0344","","","0.0631","0.0688","","","","","","1.035","","","","has coordinates","202882","2020-10-21","18:00:00",""
"7044686","11.6033","0.0003","14.8669","0.0004","17.4306","0.0005","90","","104.603","0.003","90","","2909.73","0.14","295","2","295","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C31 H20 Lu N5 O9 S -","- C31 H20 Lu N5 O9 S -","- C124 H80 Lu4 N20 O36 S4 -","4","1","","Xiao, Ying-Hui; Deng, Zhaopeng; Zhu, Zhi-Biao; Huo, Li-Hua; Gao, Shan","Rare Earth Metal-Organic Complexes Constructed from Hydroxyl and Carboxyl Modified Arenesulfonate: Syntheses, Structure Evolutions, Ultraviolet, Visible and Near-Infrared Luminescence","Dalton Transactions","2017","","","","","10.1039/C7DT03254D","","","0.71073","MoKα","","0.0889","0.0809","","","0.2351","0.2405","","","","","","1.043","","","","has coordinates","202882","2020-10-21","18:00:00",""
"7044687","11.9548","0.0002","8.47498","0.00017","17.9413","0.0004","90","","103.253","0.002","90","","1769.34","0.06","295","2","295","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C19 H13 Eu N2 O7 S -","- C19 H13 Eu N2 O7 S -","- C76 H52 Eu4 N8 O28 S4 -","4","1","","Xiao, Ying-Hui; Deng, Zhaopeng; Zhu, Zhi-Biao; Huo, Li-Hua; Gao, Shan","Rare Earth Metal-Organic Complexes Constructed from Hydroxyl and Carboxyl Modified Arenesulfonate: Syntheses, Structure Evolutions, Ultraviolet, Visible and Near-Infrared Luminescence","Dalton Transactions","2017","","","","","10.1039/C7DT03254D","","","0.71073","MoKα","","0.0464","0.0348","","","0.0629","0.0679","","","","","","1.015","","","","has coordinates","202882","2020-10-21","18:00:00",""
"7044688","11.6131","0.0003","14.8734","0.0004","17.5855","0.0005","90","","104.818","0.003","90","","2936.46","0.14","295","2","295","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C31 H20 Gd N5 O9 S -","- C31 H20 Gd N5 O9 S -","- C124 H80 Gd4 N20 O36 S4 -","4","1","","Xiao, Ying-Hui; Deng, Zhaopeng; Zhu, Zhi-Biao; Huo, Li-Hua; Gao, Shan","Rare Earth Metal-Organic Complexes Constructed from Hydroxyl and Carboxyl Modified Arenesulfonate: Syntheses, Structure Evolutions, Ultraviolet, Visible and Near-Infrared Luminescence","Dalton Transactions","2017","","","","","10.1039/C7DT03254D","","","0.71073","MoKα","","0.0818","0.0531","","","0.1059","0.1144","","","","","","1.095","","","","has coordinates","202882","2020-10-21","18:00:00",""
"7044689","11.6194","0.0003","14.8842","0.0003","17.4773","0.0004","90","","104.617","0.002","90","","2924.79","0.12","295","2","295","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C31 H20 Er N5 O9 S -","- C31 H20 Er N5 O9 S -","- C124 H80 Er4 N20 O36 S4 -","4","1","","Xiao, Ying-Hui; Deng, Zhaopeng; Zhu, Zhi-Biao; Huo, Li-Hua; Gao, Shan","Rare Earth Metal-Organic Complexes Constructed from Hydroxyl and Carboxyl Modified Arenesulfonate: Syntheses, Structure Evolutions, Ultraviolet, Visible and Near-Infrared Luminescence","Dalton Transactions","2017","","","","","10.1039/C7DT03254D","","","0.71073","MoKα","","0.0607","0.039","","","0.061","0.0677","","","","","","1.002","","","","has coordinates","202882","2020-10-21","18:00:00",""
"7044690","11.5956","0.0005","14.8563","0.0005","17.5154","0.0007","90","","104.709","0.004","90","","2918.5","0.2","295","2","295","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C31 H20 N5 O9 S Tb -","- C31 H20 N5 O9 S Tb -","- C124 H80 N20 O36 S4 Tb4 -","4","1","","Xiao, Ying-Hui; Deng, Zhaopeng; Zhu, Zhi-Biao; Huo, Li-Hua; Gao, Shan","Rare Earth Metal-Organic Complexes Constructed from Hydroxyl and Carboxyl Modified Arenesulfonate: Syntheses, Structure Evolutions, Ultraviolet, Visible and Near-Infrared Luminescence","Dalton Transactions","2017","","","","","10.1039/C7DT03254D","","","0.71073","MoKα","","0.0696","0.0542","","","0.1615","0.1714","","","","","","1.024","","","","has coordinates","202882","2020-10-21","18:00:00",""
"7044691","11.6315","0.0002","14.8756","0.0003","17.5103","0.0004","90","","104.705","0.002","90","","2930.49","0.11","295","2","295","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C31 H20 Ho N5 O9 S -","- C31 H20 Ho N5 O9 S -","- C124 H80 Ho4 N20 O36 S4 -","4","1","","Xiao, Ying-Hui; Deng, Zhaopeng; Zhu, Zhi-Biao; Huo, Li-Hua; Gao, Shan","Rare Earth Metal-Organic Complexes Constructed from Hydroxyl and Carboxyl Modified Arenesulfonate: Syntheses, Structure Evolutions, Ultraviolet, Visible and Near-Infrared Luminescence","Dalton Transactions","2017","","","","","10.1039/C7DT03254D","","","0.71073","MoKα","","0.0558","0.0366","","","0.0585","0.0647","","","","","","1.007","","","","has coordinates","202882","2020-10-21","18:00:00",""
"7044692","16.8294","0.0005","16.9006","0.0005","26.2959","0.0007","90","","100.51","0.001","90","","7353.8","0.4","141","2","141","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C41 H44 N6 O6 -","- C41 H44 N6 O6 -","- C328 H352 N48 O48 -","8","2","","Sinha, Chittaranjan; Bhanja, Anup Kumar; Mishra, Snehasis; Naskar, Kaushik; Maity, Suvendu; Das Saha, Krishna","Specific Recognition of Cr3+ in Physiological Condition by allyl substituted appendage Rhodamine and Its Cell-Imaging Studies","Dalton Transactions","2017","","","","","10.1039/C7DT03560H","","","0.71073","MoKα","","0.0857","0.061","","","0.1667","0.1946","","","","","","1.101","","","","has coordinates,has disorder","202883","2020-10-21","18:00:00",""
"7044693","7.8984","0.0012","20.324","0.003","13.907","0.002","90","","90","","90","","2232.5","0.6","299","2","299","2","","","","","","","","4","P n m a","-P 2ac 2n","62","","","","- C24 H23 Eu O7 -","- C24 H21.562 Eu O7 -","- C96 H86.248 Eu4 O28 -","4","0.5","","Li, Zhongyi; Xu, Ya-Lan; Zhang, Xiangfei; Zhai, Bin; Zhang, Fuli; Zhang, Jian-Jun; Zhang, Chi; Li, Suzhi; Cao, Guangxiu","Four one-dimensional lanthanide-phenylacetate polymers exhibiting luminescence and magnetic cooling/spin-glass behavior","Dalton Transactions","2017","","","","","10.1039/C7DT03562D","","","0.71073","MoKα","","0.0238","0.0194","","","0.0448","0.0469","","","","","","1.044","","","","has coordinates,has disorder","202938","2020-10-21","18:00:00",""
"7044694","7.8711","0.0002","20.3008","0.0006","13.8754","0.0004","90","","90","","90","","2217.14","0.11","298","2","298","2","","","","","","","","4","P n m a","-P 2ac 2n","62","","","","- C24 H23 Gd O7 -","- C24 H20 Gd O7 -","- C96 H80 Gd4 O28 -","4","0.5","","Li, Zhongyi; Xu, Ya-Lan; Zhang, Xiangfei; Zhai, Bin; Zhang, Fuli; Zhang, Jian-Jun; Zhang, Chi; Li, Suzhi; Cao, Guangxiu","Four one-dimensional lanthanide-phenylacetate polymers exhibiting luminescence and magnetic cooling/spin-glass behavior","Dalton Transactions","2017","","","","","10.1039/C7DT03562D","","","0.71073","MoKα","","0.0313","0.0213","","","0.0454","0.0493","","","","","","1.03","","","","has coordinates,has disorder","202938","2020-10-21","18:00:00",""
"7044695","7.8673","0.0003","20.305","0.0009","13.8787","0.0006","90","","90","","90","","2217.06","0.16","298","2","298","2","","","","","","","","4","P n m a","-P 2ac 2n","62","","","","- C24 H23 Dy O7 -","- C24 H20 Dy O7 -","- C96 H80 Dy4 O28 -","4","0.5","","Li, Zhongyi; Xu, Ya-Lan; Zhang, Xiangfei; Zhai, Bin; Zhang, Fuli; Zhang, Jian-Jun; Zhang, Chi; Li, Suzhi; Cao, Guangxiu","Four one-dimensional lanthanide-phenylacetate polymers exhibiting luminescence and magnetic cooling/spin-glass behavior","Dalton Transactions","2017","","","","","10.1039/C7DT03562D","","","0.71073","MoKα","","0.0236","0.0212","","","0.0652","0.0684","","","","","","1.036","","","","has coordinates,has disorder","202938","2020-10-21","18:00:00",""
"7044696","7.837","0.0003","20.3107","0.0008","13.8607","0.0005","90","","90","","90","","2206.28","0.14","298","2","298","2","","","","","","","","4","P n m a","-P 2ac 2n","62","","","","- C24 H23 O7 Tb -","- C24.228 H20 O7 Tb -","- C96.912 H80 O28 Tb4 -","4","0.5","","Li, Zhongyi; Xu, Ya-Lan; Zhang, Xiangfei; Zhai, Bin; Zhang, Fuli; Zhang, Jian-Jun; Zhang, Chi; Li, Suzhi; Cao, Guangxiu","Four one-dimensional lanthanide-phenylacetate polymers exhibiting luminescence and magnetic cooling/spin-glass behavior","Dalton Transactions","2017","","","","","10.1039/C7DT03562D","","","0.71073","MoKα","","0.0313","0.0254","","","0.0605","0.0639","","","","","","1.037","","","","has coordinates,has disorder","202938","2020-10-21","18:00:00",""
"7044697","24.409","0.0003","24.409","0.0003","24.409","0.0003","90","","90","","90","","14542.9","0.3","298","","298","","","","","","","","","7","P n -3 n","-P 4a 2bc 3","222","","","","- C204 H252 Cu8 F42 N60 P7 S24 -","- C204 H252 Cu8 F42 N60 P7.00008 S24 -","- C408 H504 Cu16 F84 N120 P14.0002 S48 -","2","","","Katam, Srinivas; Ganesan, Prabusankar","Large CuI8 Chalcogenone Cubic Cages with Non-interacting Counter Ion","Dalton Transactions","2017","","","","","10.1039/C7DT03796A","","","1.54184","CuKα","","0.0496","0.041","","","0.1338","0.1432","","","","","","1.0053","","","","has coordinates","202939","2020-10-21","18:00:00",""
"7044698","24.82051","0.00014","24.82051","0.00014","24.82051","0.00014","90","","90","","90","","15290.9","0.15","298","","298","","","","","","","","","7","P n -3 n","-P 4a 2bc 3","222","","","","- C204 H252 Cu8 F36 N60 P6 Se24 -","- C204 H252 Cu8 F36 N60 P6 Se24 -","- C408 H504 Cu16 F72 N120 P12 Se48 -","2","","","Katam, Srinivas; Ganesan, Prabusankar","Large CuI8 Chalcogenone Cubic Cages with Non-interacting Counter Ion","Dalton Transactions","2017","","","","","10.1039/C7DT03796A","","","1.54184","CuKα","","0.0478","0.0359","","","0.0893","0.0979","","","","","","1.011","","","","has coordinates","202939","2020-10-21","18:00:00",""
"7044699","18.8049","0.0014","13.7184","0.001","17.7762","0.0013","90","","95.511","0.001","90","","4564.6","0.6","296","2","296","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C8 H16 Cu4 Mo12 N16 O40 P -","- C8 H12 Cu4 Mo12 N16 O40 P -","- C32 H48 Cu16 Mo48 N64 O160 P4 -","4","1","","Jia, Mingjun; Song, Xiaojing; Yan, Yan; Wang, Yanning; Hu, Dianwen; Xiao, Lina; Yu, Jie-hui; Zhang, Wenxiang","Hybrid compounds assembled from copper-triazole complex and polyoxometalate acid as advanced catalysts for olefins oxidation with oxygen","Dalton Transactions","2017","","","","","10.1039/C7DT03198J","","","0.71073","MoKα","","0.0597","0.0328","","","0.0574","0.0627","","","","","","1.002","","","","has coordinates","202941","2020-10-21","18:00:00",""
"7044700","17.6135","0.0003","17.6135","0.0003","23.0663","0.0007","90","","90","","120","","6197.3","0.2","296","2","296","2","","","","","","","","7","R -3 :H","-R 3","148","","","","- C12 H24 Cu6 Mo24 N24 O80 P2 -","- C12 H18 Cu6 Mo24 N24 O80 P2 -","- C36 H54 Cu18 Mo72 N72 O240 P6 -","3","0.166667","","Jia, Mingjun; Song, Xiaojing; Yan, Yan; Wang, Yanning; Hu, Dianwen; Xiao, Lina; Yu, Jie-hui; Zhang, Wenxiang","Hybrid compounds assembled from copper-triazole complex and polyoxometalate acid as advanced catalysts for olefins oxidation with oxygen","Dalton Transactions","2017","","","","","10.1039/C7DT03198J","","","0.71073","MoKα","","0.029","0.0267","","","0.0704","0.0714","","","","","","1.185","","","","has coordinates","208944","2020-10-21","18:00:00",""
"7044701","9.603","0.003","14.769","0.005","20.786","0.007","90","","90","","90","","2948","1.7","293","2","293","2","","","","","","","","6","P b c a","-P 2ac 2ab","61","","","","- C5 H14 Cl3 K N2 O12 -","- C5 H14 Cl3 K N2 O12 -","- C40 H112 Cl24 K8 N16 O96 -","8","1","","Sun, Yu-Ling; Shi, Chao; Zhang, Wen","Distinct room-temperature dielectric transition in a perchlorate-based organic-inorganic hybrid perovskite","Dalton Transactions","2017","","","","","10.1039/C7DT03798H","","","0.71073","MoKα","","0.0617","0.0509","","","0.1175","0.1321","","","","","","1.149","","","","has coordinates","202942","2020-10-21","18:00:00",""
"7044702","10.739","0.011","9.967","0.011","14.35","0.015","90","","90","","90","","1536","3","293","2","293","2","","","","","","","","6","P b c m","-P 2c 2b","57","","","","- C5 H14 Cl3 K N2 O12 -","- C5 H14 Cl3 K N2 O12 -","- C20 H56 Cl12 K4 N8 O48 -","4","0.5","","Sun, Yu-Ling; Shi, Chao; Zhang, Wen","Distinct room-temperature dielectric transition in a perchlorate-based organic-inorganic hybrid perovskite","Dalton Transactions","2017","","","","","10.1039/C7DT03798H","","","0.71073","MoKα","","0.1264","0.121","","","0.3235","0.3286","","","","","","1.247","","","","has coordinates","202942","2020-10-21","18:00:00",""
"7044703","9.64","0.004","14.793","0.007","20.947","0.009","90","","90","","90","","2987","2","293","2","293","2","","","","","","","","6","P b c a","-P 2ac 2ab","61","","","","- C5 H14 Cl3 K N2 O12 -","- C5 H14 Cl3 K N2 O12 -","- C40 H112 Cl24 K8 N16 O96 -","8","1","","Sun, Yu-Ling; Shi, Chao; Zhang, Wen","Distinct room-temperature dielectric transition in a perchlorate-based organic-inorganic hybrid perovskite","Dalton Transactions","2017","","","","","10.1039/C7DT03798H","","","0.71073","MoKα","","0.0748","0.062","","","0.1483","0.1618","","","","","","1.163","","","","has coordinates","202942","2020-10-21","18:00:00",""
"7044704","10.682","0.01","9.876","0.01","14.264","0.014","90","","90","","90","","1505","3","293","2","293","2","","","","","","","","6","P b c m","-P 2c 2b","57","","","","- C5 H14 Cl3 K N2 O12 -","- C5 H14 Cl3 K N2 O12 -","- C20 H56 Cl12 K4 N8 O48 -","4","0.5","","Sun, Yu-Ling; Shi, Chao; Zhang, Wen","Distinct room-temperature dielectric transition in a perchlorate-based organic-inorganic hybrid perovskite","Dalton Transactions","2017","","","","","10.1039/C7DT03798H","","","0.71073","MoKα","","0.1254","0.0896","","","0.2411","0.2758","","","","","","1.193","","","","has coordinates","202942","2020-10-21","18:00:00",""
"7044705","6.7728","0.0003","8.6804","0.0005","10.63","0.0005","74.519","0.004","76.334","0.004","69.185","0.004","555.98","0.05","296","2","296","2","","","","","","","","3","P -1","-P 1","2","","","","- Ge3 Li3 Se6 -","- Ge3 Li3 Se6 -","- Ge6 Li6 Se12 -","2","1","","Li, Guangmao; Zhen, Ni; Chu, Yu; Zhou, Zhongxiang","Li3Ge3Se6: The First Ternary Lithium Germanium Selenide with Interesting ∞[Ge6Se12]n Chains Constructed by Ethane-like [Ge2Se6]6- Clusters","Dalton Transactions","2017","","","","","10.1039/C7DT03781C","","","0.71073","MoKα","","0.0386","0.0265","","","0.0471","0.0502","","","","","","0.999","","","","has coordinates","202943","2020-10-21","18:00:00",""
"7044706","16.21","0.008","16.21","0.008","18.208","0.018","90","","90","","120","","4143","5","296","2","296","2","","","","","","","","5","R 3 2 :H","R 3 2""","155","","","","- C42 H43 Fe4 N3 O22.5 -","- C42 H42 Fe4 N3 O22.5 -","- C126 H126 Fe12 N9 O67.5 -","3","0.166667","","Xue, Yuanshan; Tan, Xu; Zhou, Mengjie; Mei, Hua; Xu, Yan","Synthesis, structures and magnetic properties of two chiral mixed-valence iron(II, III) coordination networks","Dalton Transactions","2017","","","","","10.1039/C7DT03411C","","","0.71073","MoKα","","0.065","0.0636","","","0.1782","0.1795","","","","","","1.071","","","","has coordinates","202944","2020-10-21","18:00:00",""
"7044707","16.343","0.02","16.343","0.02","18.41","0.03","90","","90","","120","","4258","10","296","2","296","2","","","","","","","","5","R 3 2 :H","R 3 2""","155","","","","- C42 H43 Fe4 N3 O22.5 -","- C42 H42 Fe4 N3 O22.5 -","- C126 H126 Fe12 N9 O67.5 -","3","0.166667","","Xue, Yuanshan; Tan, Xu; Zhou, Mengjie; Mei, Hua; Xu, Yan","Synthesis, structures and magnetic properties of two chiral mixed-valence iron(II, III) coordination networks","Dalton Transactions","2017","","","","","10.1039/C7DT03411C","","","0.71073","MoKα","","0.0536","0.0493","","","0.1228","0.1257","","","","","","1.101","","","","has coordinates","202944","2020-10-21","18:00:00",""
"7044708","6.2134","0.0004","10.3216","0.0007","14.0396","0.0009","86.713","0.006","78.198","0.006","89.864","0.006","879.87","0.1","120","0.1","120","0.1","","","","","","","","6","P -1","-P 1","2","","","","- C13 H15 F3 N6 O3 S2 -","- C13 H15 F3 N6 O3 S2 -","- C26 H30 F6 N12 O6 S4 -","2","1","","Vasko, Petra; Hurmalainen, Juha; Mansikkamäki, Akseli; Peuronen, Anssi; Mailman, Aaron; Tuononen, Heikki M.","Synthesis of new hybrid 1,4-thiazinyl-1,2,3-dithiazolyl radicals via Smiles rearrangement","Dalton Transactions","2017","","","","","10.1039/C7DT03243A","","x-ray","0.71073","MoKα","","0.0428","0.0366","","","0.0897","0.095","","","","","","1.042","","","","has coordinates","202993","2020-10-21","18:00:00",""
"7044709","10.0148","0.0004","20.0201","0.0006","8.2625","0.0003","90","","110.096","0.005","90","","1555.75","0.11","123","0.1","123","0.1","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C11 H12 F3 N5 O3 S2 -","- C11 H12 F3 N5 O3 S2 -","- C44 H48 F12 N20 O12 S8 -","4","1","","Vasko, Petra; Hurmalainen, Juha; Mansikkamäki, Akseli; Peuronen, Anssi; Mailman, Aaron; Tuononen, Heikki M.","Synthesis of new hybrid 1,4-thiazinyl-1,2,3-dithiazolyl radicals via Smiles rearrangement","Dalton Transactions","2017","","","","","10.1039/C7DT03243A","","x-ray","1.54184","CuKα","","0.0492","0.0435","","","0.1107","0.1155","","","","","","1.026","","","","has coordinates","202993","2020-10-21","18:00:00",""
"7044710","8.1151","0.0009","8.6552","0.001","12.6232","0.0011","84.653","0.008","75.348","0.009","87.368","0.009","853.83","0.16","293.97","0.1","293.97","0.1","","","","","","","","7","P -1","-P 1","2","","","","- C11 H4 Cl2 F3 N5 O3 S4 -","- C11 H4 Cl2 F3 N5 O3 S4 -","- C22 H8 Cl4 F6 N10 O6 S8 -","2","1","","Vasko, Petra; Hurmalainen, Juha; Mansikkamäki, Akseli; Peuronen, Anssi; Mailman, Aaron; Tuononen, Heikki M.","Synthesis of new hybrid 1,4-thiazinyl-1,2,3-dithiazolyl radicals via Smiles rearrangement","Dalton Transactions","2017","","","","","10.1039/C7DT03243A","","x-ray","0.71073","MoKα","","0.0509","0.0421","","","0.1077","0.1146","","","","","","1.04","","","","has coordinates","202993","2020-10-21","18:00:00",""
"7044711","7.4918","0.0004","21.1396","0.0009","11.7057","0.001","90","","94.745","0.007","90","","1847.5","0.2","120.01","0.1","120.01","0.1","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C13 H7 Cl F3 N3 O3 S4 -","- C13 H7 Cl F3 N3 O3 S4 -","- C52 H28 Cl4 F12 N12 O12 S16 -","4","1","","Vasko, Petra; Hurmalainen, Juha; Mansikkamäki, Akseli; Peuronen, Anssi; Mailman, Aaron; Tuononen, Heikki M.","Synthesis of new hybrid 1,4-thiazinyl-1,2,3-dithiazolyl radicals via Smiles rearrangement","Dalton Transactions","2017","","","","","10.1039/C7DT03243A","","x-ray","1.54184","CuKα","","0.1117","0.0989","","","0.2731","0.2889","","","","","","1.195","","","","has coordinates","202993","2020-10-21","18:00:00",""
"7044712","6.1376","0.0002","11.7508","0.0005","13.2119","0.0006","107.777","0.004","96.045","0.003","90.188","0.003","901.69","0.07","120","0.1","120","0.1","","","","","","","","6","P -1","-P 1","2","","","","- C15 H14 F3 N5 O3 S2 -","- C15 H14 F3 N5 O3 S2 -","- C30 H28 F6 N10 O6 S4 -","2","1","","Vasko, Petra; Hurmalainen, Juha; Mansikkamäki, Akseli; Peuronen, Anssi; Mailman, Aaron; Tuononen, Heikki M.","Synthesis of new hybrid 1,4-thiazinyl-1,2,3-dithiazolyl radicals via Smiles rearrangement","Dalton Transactions","2017","","","","","10.1039/C7DT03243A","","","0.71073","MoKα","","0.0637","0.0434","","","0.0936","0.1033","","","","","","1.059","","","","has coordinates","202993","2020-10-21","18:00:00",""
"7044713","10.9966","0.0003","21.7939","0.0005","10.4376","0.0003","90","","99.356","0.003","90","","2468.19","0.12","123.01","0.1","123.01","0.1","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C12 H7 Cl N3 S3 -","- C12 H7 Cl N3 S3 -","- C96 H56 Cl8 N24 S24 -","8","2","","Vasko, Petra; Hurmalainen, Juha; Mansikkamäki, Akseli; Peuronen, Anssi; Mailman, Aaron; Tuononen, Heikki M.","Synthesis of new hybrid 1,4-thiazinyl-1,2,3-dithiazolyl radicals via Smiles rearrangement","Dalton Transactions","2017","","","","","10.1039/C7DT03243A","","x-ray","1.54184","CuKα","","0.0448","0.0382","","","0.0947","0.0994","","","","","","1.024","","","","has coordinates","202993","2020-10-21","18:00:00",""
"7044714","6.1521","0.0015","11.658","0.002","13.584","0.002","69.289","0.016","79.357","0.016","85.084","0.018","895.4","0.3","120","0.1","120","0.1","","","","","","","","6","P -1","-P 1","2","","","","- C15 H14 F3 N5 O3 S2 -","- C15 H14 F3 N5 O3 S2 -","- C30 H28 F6 N10 O6 S4 -","2","1","","Vasko, Petra; Hurmalainen, Juha; Mansikkamäki, Akseli; Peuronen, Anssi; Mailman, Aaron; Tuononen, Heikki M.","Synthesis of new hybrid 1,4-thiazinyl-1,2,3-dithiazolyl radicals via Smiles rearrangement","Dalton Transactions","2017","","","","","10.1039/C7DT03243A","","","0.71073","MoKα","","0.0954","0.0622","","","0.1343","0.1555","","","","","","1.092","","","","has coordinates,has disorder","202993","2020-10-21","18:00:00",""
"7044715","8.7687","0.0015","15.917","0.003","15.407","0.003","90","","95.613","0.008","90","","2140.1","0.7","296","2","296","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C17 H16 Br2 Cl2 N Nb O4 -","- C17 H16 Br2 Cl2 N Nb O4 -","- C68 H64 Br8 Cl8 N4 Nb4 O16 -","4","1","","pappuru, sreenath; Chakraborty, Debashis; V, Ramkumar","Synthesis and Characterization of Benzotriazole or Benzoxazole Phenoxide Ligands Supported Nb and Ta Metal Complexes and their Application for the Synthesis of Hyperbranched Polyglycerols by Ring-Opening Polymerisation of Glycidol","Dalton Transactions","2017","","","","","10.1039/C7DT02839C","","","0.71073","MoKα","","0.043","0.0304","","","0.0697","0.0753","","","","","","1.034","","","","has coordinates,has disorder","202994","2020-10-21","18:00:00",""
"7044716","10.0945","0.0007","10.1728","0.0008","10.1749","0.0008","90.006","0.003","119.103","0.003","111.1","0.003","831.82","0.12","296","2","296","2","","","","","","","","6","P -1","-P 1","2","","","","- C13 H10 Cl4 N3 O Ta -","- C13 H10 Cl4 N3 O Ta -","- C26 H20 Cl8 N6 O2 Ta2 -","2","1","","pappuru, sreenath; Chakraborty, Debashis; V, Ramkumar","Synthesis and Characterization of Benzotriazole or Benzoxazole Phenoxide Ligands Supported Nb and Ta Metal Complexes and their Application for the Synthesis of Hyperbranched Polyglycerols by Ring-Opening Polymerisation of Glycidol","Dalton Transactions","2017","","","","","10.1039/C7DT02839C","","","0.71073","MoKα","","0.0209","0.0189","","","0.0505","0.0515","","","","","","1.144","","","","has coordinates","202994","2020-10-21","18:00:00",""
"7044717","6.3077","0.0015","10.738","0.003","18.004","0.005","96.826","0.01","90.66","0.011","97.503","0.011","1200","0.6","296","2","296","2","","","","","","","","6","P -1","-P 1","2","","","","- C21 H24 Cl4 N O2 Ta -","- C21 H24 Cl4 N O2 Ta -","- C42 H48 Cl8 N2 O4 Ta2 -","2","1","","pappuru, sreenath; Chakraborty, Debashis; V, Ramkumar","Synthesis and Characterization of Benzotriazole or Benzoxazole Phenoxide Ligands Supported Nb and Ta Metal Complexes and their Application for the Synthesis of Hyperbranched Polyglycerols by Ring-Opening Polymerisation of Glycidol","Dalton Transactions","2017","","","","","10.1039/C7DT02839C","","","0.71073","MoKα","","0.0271","0.0252","","","0.0623","0.063","","","","","","1.192","","","","has coordinates","202994","2020-10-21","18:00:00",""
"7044718","20.028","0.004","20.028","0.004","20.966","0.005","90","","90","","90","","8410","3","296","2","296","2","","","","","","","","6","P 4/n n c","-P 4a 2bc","126","","","","- C52 H40 Cl8 N12 Nb4 O8 -","- C52 H40 Cl8 N12 Nb4 O8 -","- C208 H160 Cl32 N48 Nb16 O32 -","4","","","pappuru, sreenath; Chakraborty, Debashis; V, Ramkumar","Synthesis and Characterization of Benzotriazole or Benzoxazole Phenoxide Ligands Supported Nb and Ta Metal Complexes and their Application for the Synthesis of Hyperbranched Polyglycerols by Ring-Opening Polymerisation of Glycidol","Dalton Transactions","2017","","","","","10.1039/C7DT02839C","","","0.71073","MoKα","","0.104","0.0619","","","0.1395","0.1591","","","","","","1.02","","","","has coordinates","202994","2020-10-21","18:00:00",""
"7044719","27.8788","0.0009","27.1666","0.001","19.8149","0.0011","90","","133.784","0.001","90","","10834.5","0.8","296","2","296","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C84 H96 Cl4 N4 Nb4 O14 -","- C84 H96 Cl4 N4 Nb4 O14 -","- C336 H384 Cl16 N16 Nb16 O56 -","4","0.5","","pappuru, sreenath; Chakraborty, Debashis; V, Ramkumar","Synthesis and Characterization of Benzotriazole or Benzoxazole Phenoxide Ligands Supported Nb and Ta Metal Complexes and their Application for the Synthesis of Hyperbranched Polyglycerols by Ring-Opening Polymerisation of Glycidol","Dalton Transactions","2017","","","","","10.1039/C7DT02839C","","","0.71073","MoKα","","0.0453","0.0339","","","0.0786","0.0827","","","","","","1.004","","","","has coordinates,has disorder","202994","2020-10-21","18:00:00",""
"7044720","14.4481","0.0017","9.4949","0.0009","27.331","0.004","90","","103.532","0.012","90","","3645.3","0.8","100","2","100","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C43 H48 N3 Ni O -","- C43 H48 N3 Ni O -","- C172 H192 N12 Ni4 O4 -","4","0.5","","Kannan, Shanmugaperumal; Kumar, Mukesh; Sadhu, Biswajit; Madhavan, Jaccob; Sundararajan, Mahesh","Unusual Intramolecular CH...O Hydrogen Bonding Interaction between Sterically Bulky Amide and Uranyl oxygen","Dalton Transactions","2017","","","","","10.1039/C7DT02760E","","","0.71073","MoKα","","0.1075","0.0724","","","0.1647","0.1856","","","","","","1.078","","","","has coordinates","202995","2020-10-21","18:00:00",""
"7044721","14.44","0.008","7.638","0.004","29.421","0.017","90","","90.392","0.015","90","","3245","3","150","2","150","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C39 H39 N3 Ni O -","- C39 H39 N3 Ni O -","- C156 H156 N12 Ni4 O4 -","4","1","","Kannan, Shanmugaperumal; Kumar, Mukesh; Sadhu, Biswajit; Madhavan, Jaccob; Sundararajan, Mahesh","Unusual Intramolecular CH...O Hydrogen Bonding Interaction between Sterically Bulky Amide and Uranyl oxygen","Dalton Transactions","2017","","","","","10.1039/C7DT02760E","","","1.54187","CuKα","","0.1216","0.0871","","","0.2072","0.2493","","","","","","1.124","","","","has coordinates,has disorder","202995","2020-10-21","18:00:00",""
"7044722","12.2111","0.0005","18.6407","0.0006","18.8598","0.0008","75.74","0.003","77.216","0.004","80.547","0.003","4030.1","0.3","293","2","293","2","","","","","","","","6","P -1","-P 1","2","","","","- C75 H56 Cl4 N14 O16 Ru2 -","- C75 H56 Cl4 N14 O16 Ru2 -","- C150 H112 Cl8 N28 O32 Ru4 -","2","1","","Baitalik, Sujoy; Mardanya, Sourav; Mondal, Debiprasad","Bimetallic Ru(II) and Os(II) complexes based on pyrene-bisimidazole spacer: synthesis, photophysics, electrochemistry and multisignalling DNA binding studies in the near infrared region","Dalton Transactions","2017","","","","","10.1039/C7DT03355A","","","0.71073","MoKα","","0.0847","0.0656","","","0.1339","0.1423","","","","","","1.003","","","","has coordinates","203022","2020-10-21","18:00:00",""
"7044723","9.7231","0.0003","7.7113","0.0003","14.1209","0.0005","90","","101.44","0.004","90","","1037.72","0.06","90","2","90","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C9 H10 Cl2 Cu N2 O -","- C9 H10 Cl2 Cu N2 O -","- C36 H40 Cl8 Cu4 N8 O4 -","4","1","","Shi, Xing-Xing; Zhang, Yuexing; Chen, Qiu-Jie; Yin, Zheng; Chen, Xue-Li; Wang, Zhenxing; Ouyang, Zhongwen; Kurmoo, Mohamedally; Zeng, Ming-Hua","Ferromagnetic Coupling in Copper Benzimidazole Chloride: Structural, Mass Spectrometry, Magnetism and DFT Studies","Dalton Transactions","2017","","","","","10.1039/C7DT03576D","","","0.71073","MoKα","","0.034","0.0302","","","0.0654","0.0682","","","","","","1.07","","","","has coordinates","203023","2020-10-21","18:00:00",""
"7044724","9.752","0.003","7.817","0.002","14.238","0.004","90","","101.212","0.003","90","","1064.7","0.5","296","2","296","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C9 H10 Cl2 Cu N2 O -","- C9 H10 Cl2 Cu N2 O -","- C36 H40 Cl8 Cu4 N8 O4 -","4","1","","Shi, Xing-Xing; Zhang, Yuexing; Chen, Qiu-Jie; Yin, Zheng; Chen, Xue-Li; Wang, Zhenxing; Ouyang, Zhongwen; Kurmoo, Mohamedally; Zeng, Ming-Hua","Ferromagnetic Coupling in Copper Benzimidazole Chloride: Structural, Mass Spectrometry, Magnetism and DFT Studies","Dalton Transactions","2017","","","","","10.1039/C7DT03576D","","","0.71073","MoKα","","0.0287","0.0249","","","0.061","0.0633","","","","","","1.093","","","","has coordinates","203023","2020-10-21","18:00:00",""
"7044725","23.4503","0.0008","23.4503","0.0008","14.6472","0.0005","90","","90","","120","","6975.6","0.4","120","2","120.01","","","","","","","","","8","P -3","-P 3","147","","","","- As6 Cs15 Dy6 H166 K9 Na12 O281 W54 -","- As6 Cs15 Dy6 K8.9998 Na12 O281 W54 -","- As6 Cs15 Dy6 K8.9998 Na12 O281 W54 -","1","0.166667","","Huo, Yu; Chen, Yan-Cong; Liu, Jun-Liang; Jia, Jian-Hua; Chen, Wen-Bin; Wu, Si-Guo; Tong, Mingliang","A wheel-shaped Dy(III) single-molecule magnet supported by polyoxotungstates","Dalton Transactions","2017","","","","","10.1039/C7DT03721J","","","0.71073","MoKα","","0.0941","0.0518","","","0.117","0.1367","","","","","","1.031","","","","has coordinates,has disorder","203024","2020-10-21","18:00:00",""
"7044726","17.9561","0.0001","17.9561","0.0001","14.8394","0.0001","90","","90","","90","","4784.54","0.05","100","2","100","2","","","","","","","","6","P 41 21 2","P 4abw 2nw","92","","","","- C54 H58 O2 P2 Pd S2 -","- C54 H58 O2 P2 Pd S2 -","- C216 H232 O8 P8 Pd4 S8 -","4","0.5","","Martyanov, Konstantin A.; Cherkasov, Vladimir Kuz'mich; Abakumov, Gleb Arsent'evich; Baranov, Evgeny V.; Shavyrin, Andrey; Kuropatov, Viacheslav","Regioisomerism in coordination chemistry: oxidative addition of bifunctional ligand to palladium, stabilized with 1,2-bis(diphenylphosphino)ethane","Dalton Transactions","2017","","","","","10.1039/C7DT03891G","","","0.71073","MoKα","","0.0255","0.0219","","","0.0487","0.0499","","","","","","1.094","","","","has coordinates,has disorder","203025","2020-10-21","18:00:00",""
"7044727","10.956","0.0003","12.6502","0.0004","17.8929","0.0006","100.177","0.001","106.263","0.001","108.579","0.001","2158.08","0.12","100","2","100","2","","","","","","","","6","P -1","-P 1","2","","","","- C46 H54 O3.5 P2 Pd S2 -","- C46 H54 O3.5 P2 Pd S2 -","- C92 H108 O7 P4 Pd2 S4 -","2","1","","Martyanov, Konstantin A.; Cherkasov, Vladimir Kuz'mich; Abakumov, Gleb Arsent'evich; Baranov, Evgeny V.; Shavyrin, Andrey; Kuropatov, Viacheslav","Regioisomerism in coordination chemistry: oxidative addition of bifunctional ligand to palladium, stabilized with 1,2-bis(diphenylphosphino)ethane","Dalton Transactions","2017","","","","","10.1039/C7DT03891G","","","0.71073","MoKα","","0.0261","0.0247","","","0.0656","0.0664","","","","","","1.01","","","","has coordinates,has disorder","203025","2020-10-21","18:00:00",""
"7044728","9.2935","0.0003","18.4064","0.0005","15.7629","0.0005","90","","104.747","0.003","90","","2607.58","0.14","293","0.1","293","0.1","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C24 H22 Cl Fe N8 O6 -","- C24 H22 Cl Fe N8 O6 -","- C96 H88 Cl4 Fe4 N32 O24 -","4","1","","Yuan, Juan; Liu, Mei-Jiao; Liu, Cai-Ming; Kou, Hui-Zhong","Iron(III) complexes of 2-methyl-6-(pyrimidin-2-yl-hydrazonomethyl)-phenol as spin-crossover molecular materials","Dalton Transactions","2017","","","","","10.1039/C7DT03233A","","x-ray","1.54184","CuKα","","0.1039","0.087","","","0.3294","0.334","","","","","","1.227","","","","has coordinates","203026","2020-10-21","18:00:00",""
"7044729","9.922","0.005","11.751","0.006","11.994","0.006","93.148","0.008","97.862","0.009","105.387","0.008","1329.5","1.2","293","2","293","2","","","","","","","","6","P -1","-P 1","2","","","","- C25 H25 Cl Fe N8 O3 -","- C25 H25 Cl Fe N8 O3 -","- C50 H50 Cl2 Fe2 N16 O6 -","2","1","","Yuan, Juan; Liu, Mei-Jiao; Liu, Cai-Ming; Kou, Hui-Zhong","Iron(III) complexes of 2-methyl-6-(pyrimidin-2-yl-hydrazonomethyl)-phenol as spin-crossover molecular materials","Dalton Transactions","2017","","","","","10.1039/C7DT03233A","","","0.71073","MoKα","","0.1927","0.1124","","","0.2726","0.3647","","","","","","1.019","","","","has coordinates","203026","2020-10-21","18:00:00",""
"7044730","9.3037","0.0019","18.376","0.004","15.821","0.003","90","","105.58","0.03","90","","2605.4","1","293","2","293","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C24 H22 B F4 Fe N8 O2 -","- C24 H22 B F4 Fe N8 O2 -","- C96 H88 B4 F16 Fe4 N32 O8 -","4","1","","Yuan, Juan; Liu, Mei-Jiao; Liu, Cai-Ming; Kou, Hui-Zhong","Iron(III) complexes of 2-methyl-6-(pyrimidin-2-yl-hydrazonomethyl)-phenol as spin-crossover molecular materials","Dalton Transactions","2017","","","","","10.1039/C7DT03233A","","","0.71073","MoKα","","0.1074","0.0641","","","0.1723","0.1994","","","","","","1.068","","","","has coordinates","203026","2020-10-21","18:00:00",""
"7044731","9.2382","0.0002","18.0876","0.0004","15.787","0.0005","90","","104.325","0.003","90","","2555.94","0.12","100","0.1","100","0.1","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C24 H22 Cl Fe N8 O6 -","- C24 H22 Cl Fe N8 O6 -","- C96 H88 Cl4 Fe4 N32 O24 -","4","1","","Yuan, Juan; Liu, Mei-Jiao; Liu, Cai-Ming; Kou, Hui-Zhong","Iron(III) complexes of 2-methyl-6-(pyrimidin-2-yl-hydrazonomethyl)-phenol as spin-crossover molecular materials","Dalton Transactions","2017","","","","","10.1039/C7DT03233A","","x-ray","1.54184","CuKα","","0.0929","0.078","","","0.2317","0.2386","","","","","","1.213","","","","has coordinates","203026","2020-10-21","18:00:00",""
"7044732","8.2328","0.0003","16.0054","0.0007","19.3465","0.0011","90","","95.848","0.004","90","","2536","0.2","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C25 H29 Fe N8 O4 -","- C25 H21 Fe N8 O4 -","- C100 H84 Fe4 N32 O16 -","4","1","","Yuan, Juan; Liu, Mei-Jiao; Liu, Cai-Ming; Kou, Hui-Zhong","Iron(III) complexes of 2-methyl-6-(pyrimidin-2-yl-hydrazonomethyl)-phenol as spin-crossover molecular materials","Dalton Transactions","2017","","","","","10.1039/C7DT03233A","","","0.71073","MoKα","","0.0911","0.0652","","","0.1599","0.1733","","","","","","1.099","","","","has coordinates,has disorder","203026","2020-10-21","18:00:00",""
"7044733","8.9781","0.0005","13.5353","0.0007","17.374","0.0009","88.344","0.003","83.681","0.003","74.068","0.003","2017.87","0.19","153","2","153","2","","","","","","","","7","P -1","-P 1","2","","","","- C39.5 H26 Al B Cl4 F10 N2 -","- C39.5 H20 Al B Cl4 F10 N2 -","- C79 H40 Al2 B2 Cl8 F20 N4 -","2","1","","Sato, Kaoko; Tan, Tristan; Schaefers, Felix; Hahn, Ekkehardt F.; Stephan, Douglas W.","Imidazole-stabilized, electron-deficient boron cations","Dalton Transactions","2017","","","","","10.1039/C7DT04030J","","","0.71073","MoKα","","0.075","0.0492","","","0.1295","0.1408","","","","","","1.036","","","","has coordinates,has disorder","203027","2020-10-21","18:00:00",""
"7044734","7.8738","0.0004","17.6595","0.0009","24.5898","0.0012","90","","97.103","0.002","90","","3392.9","0.3","100","2","100","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C38.5 H34 B Cl F10 N2 -","- C38.5 H30 B Cl F10 N2 -","- C154 H120 B4 Cl4 F40 N8 -","4","1","","Sato, Kaoko; Tan, Tristan; Schaefers, Felix; Hahn, Ekkehardt F.; Stephan, Douglas W.","Imidazole-stabilized, electron-deficient boron cations","Dalton Transactions","2017","","","","","10.1039/C7DT04030J","","","0.71073","MoKα","","0.1852","0.0907","","","0.1846","0.2408","","","","","","1.089","","","","has coordinates,has disorder","203027","2020-10-21","18:00:00",""
"7044735","10.4169","0.0014","10.7244","0.0015","21.33","0.003","90","","90","","90","","2382.9","0.6","100","2","100","2","","","","","","","","7","P 21 21 21","P 2ac 2ab","19","","","","- C19 H27 B2 F8 Fe N6 O -","- C19 H27 B2 F8 Fe N6 O -","- C76 H108 B8 F32 Fe4 N24 O4 -","4","1","","Levin, Natalia; Perdoménico, Julián; Bill, Eckhard; Weyhermüller, Thomas; Slep, Leonardo D.","Pushing the photodelivery of nitric oxide to the visible: are {FeNO}7 complexes good candidates?","Dalton Transactions","2017","","","","","10.1039/C7DT03142D","","","0.71073","MoKα","","0.0614","0.0535","","","0.1475","0.1555","","","","","","1.056","","","","has coordinates,has disorder","203028","2020-10-21","18:00:00",""
"7044736","9.728","0.003","12.452","0.003","12.917","0.003","90.806","0.004","107.26","0.003","110.609","0.003","1386.2","0.6","296","2","296","2","","","","","","","","6","P -1","-P 1","2","","","","- C48 H50 Mn3 N0 O22 S6 -","- C48 H50 Mn3 O22 S6 -","- C48 H50 Mn3 O22 S6 -","1","0.5","","Zhang, Wen-Wei; Zhai, Lu; Ren, Xiaoming; Zuo, Jing-Lin; Yang, Zhu Xi","Surprisingly high quantum yield of emission in a fluorescent coordination polymer with paramagnetic Mn(II) ions","Dalton Transactions","2017","","","","","10.1039/C7DT03909C","","","0.71073","MoKα","","0.08","0.0612","","","0.1621","0.1773","","","","","","1.047","","","","has coordinates,has disorder","203097","2020-10-21","18:00:00",""
"7044737","13.2128","0.0011","14.8304","0.0011","21.673","0.002","90","","107.571","0.005","90","","4048.7","0.6","273","2","273","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C14 H30 Mo5 O29 P2 Rb4 -","- C14 H14 Mo5 O29 P2 Rb4 -","- C56 H56 Mo20 O116 P8 Rb16 -","4","0.5","","Elias Jesu Packiam, D.; Vidyasagar, Kanamaluru","Syntheses and characterization of phosphonates and diphosphonates of molybdenum, A4[(MoO3)5(O3PR)2]·xH2O, A2[Mo2O5(O3PR)2] and A2[Mo2O5(O3P-R-PO3)] (A = K, Rb, Cs, Tl, NH4)","Dalton Transactions","2017","","","","","10.1039/C7DT03012F","","","0.71073","MoKα","","0.08","0.0623","","","0.167","0.179","","","","","","1.105","","","","has coordinates","203098","2020-10-21","18:00:00",""
"7044738","14.7833","0.0009","15.11","0.001","16.1736","0.0009","90","","95.081","0.002","90","","3598.6","0.4","273","2","273","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C12 H38 Mo5 N4 O27 P2 -","- C12 H10 Mo5 N4 O27 P2 -","- C48 H40 Mo20 N16 O108 P8 -","4","0.5","","Elias Jesu Packiam, D.; Vidyasagar, Kanamaluru","Syntheses and characterization of phosphonates and diphosphonates of molybdenum, A4[(MoO3)5(O3PR)2]·xH2O, A2[Mo2O5(O3PR)2] and A2[Mo2O5(O3P-R-PO3)] (A = K, Rb, Cs, Tl, NH4)","Dalton Transactions","2017","","","","","10.1039/C7DT03012F","","","0.71073","MoKα","","0.023","0.0212","","","0.0637","0.0652","","","","","","1.085","","","","has coordinates","203098","2020-10-21","18:00:00",""
"7044739","10.5867","0.0002","11.4057","0.0002","15.5112","0.0003","80.974","0.001","86.49","0.001","76.21","0.001","1795.89","0.06","293","2","293","2","","","","","","","","6","P -1","-P 1","2","","","","- C14 H20 Cs4 Mo5 O24 P2 -","- C14 H14 Cs4 Mo5 O24 P2 -","- C28 H28 Cs8 Mo10 O48 P4 -","2","1","","Elias Jesu Packiam, D.; Vidyasagar, Kanamaluru","Syntheses and characterization of phosphonates and diphosphonates of molybdenum, A4[(MoO3)5(O3PR)2]·xH2O, A2[Mo2O5(O3PR)2] and A2[Mo2O5(O3P-R-PO3)] (A = K, Rb, Cs, Tl, NH4)","Dalton Transactions","2017","","","","","10.1039/C7DT03012F","","","0.71073","MoKα","","0.0548","0.0481","","","0.1156","0.1201","","","","","","1.036","","","","has coordinates","203098","2020-10-21","18:00:00",""
"7044740","10.4271","0.0002","10.4271","0.0002","34.2548","0.0011","90","","90","","90","","3724.33","0.16","293","2","293","2","","","","","","","","6","P 41 21 2","P 4abw 2nw","92","","","","- C12 H22 Cs4 Mo5 O27 P2 -","- C12 H10 Cs4 Mo5 O27 P2 -","- C48 H40 Cs16 Mo20 O108 P8 -","4","0.5","","Elias Jesu Packiam, D.; Vidyasagar, Kanamaluru","Syntheses and characterization of phosphonates and diphosphonates of molybdenum, A4[(MoO3)5(O3PR)2]·xH2O, A2[Mo2O5(O3PR)2] and A2[Mo2O5(O3P-R-PO3)] (A = K, Rb, Cs, Tl, NH4)","Dalton Transactions","2017","","","","","10.1039/C7DT03012F","","","0.71073","MoKα","","0.0316","0.0309","","","0.0653","0.0656","","","","","","1.146","","","","has coordinates","203098","2020-10-21","18:00:00",""
"7044741","9.51","0.0007","9.9726","0.0009","20.4436","0.0018","82.953","0.004","83.859","0.004","89.931","0.004","1913","0.3","293","2","293","2","","","","","","","","6","P -1","-P 1","2","","","","- C12 H11.5 K1.5 Mo2 O11.5 P2 -","- C12 H10 K1.52 Mo2 O11.48 P2 -","- C48 H40 K6.08 Mo8 O45.92 P8 -","4","2","","Elias Jesu Packiam, D.; Vidyasagar, Kanamaluru","Syntheses and characterization of phosphonates and diphosphonates of molybdenum, A4[(MoO3)5(O3PR)2]·xH2O, A2[Mo2O5(O3PR)2] and A2[Mo2O5(O3P-R-PO3)] (A = K, Rb, Cs, Tl, NH4)","Dalton Transactions","2017","","","","","10.1039/C7DT03012F","","","0.71073","MoKα","","0.1082","0.0691","","","0.1727","0.2026","","","","","","1.053","","","","has coordinates","203098","2020-10-21","18:00:00",""
"7044742","9.6156","0.0003","10.0058","0.0004","15.1898","0.0005","90","","90","","90","","1461.44","0.09","296","2","296","2","","","","","","","","6","P b a m","-P 2 2ab","55","","","","- C6 H12 Mo2 N2 O11 P2 -","- C6 H12 Mo2 N2 O11 P2 -","- C24 H48 Mo8 N8 O44 P8 -","4","0.5","","Elias Jesu Packiam, D.; Vidyasagar, Kanamaluru","Syntheses and characterization of phosphonates and diphosphonates of molybdenum, A4[(MoO3)5(O3PR)2]·xH2O, A2[Mo2O5(O3PR)2] and A2[Mo2O5(O3P-R-PO3)] (A = K, Rb, Cs, Tl, NH4)","Dalton Transactions","2017","","","","","10.1039/C7DT03012F","","","0.71073","MoKα","","0.0286","0.0265","","","0.0655","0.067","","","","","","1.145","","","","has coordinates,has disorder","203098","2020-10-21","18:00:00",""
"7044743","13.97","0.0004","9.7156","0.0002","9.9164","0.0003","90","","97.435","0.002","90","","1334.61","0.06","296","2","296","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C3 H6 Mo2 O11 P2 Rb2 -","- C3 H6 Mo2 O11 P2 Rb2 -","- C12 H24 Mo8 O44 P8 Rb8 -","4","1","","Elias Jesu Packiam, D.; Vidyasagar, Kanamaluru","Syntheses and characterization of phosphonates and diphosphonates of molybdenum, A4[(MoO3)5(O3PR)2]·xH2O, A2[Mo2O5(O3PR)2] and A2[Mo2O5(O3P-R-PO3)] (A = K, Rb, Cs, Tl, NH4)","Dalton Transactions","2017","","","","","10.1039/C7DT03012F","","","0.71073","MoKα","","0.0557","0.0336","","","0.062","0.0703","","","","","","1.002","","","","has coordinates","203098","2020-10-21","18:00:00",""
"7044744","9.8278","0.0006","9.8278","0.0006","29.6603","0.0017","90","","90","","90","","2864.8","0.3","293","2","293","2","","","","","","","","6","I 4/m c m","-I 4 2c","140","","","","- C4 H8 Mo2 O11 P2 Rb2 -","- C4 Mo2 O11 P2 Rb2 -","- C32 Mo16 O88 P16 Rb16 -","8","0.25","","Elias Jesu Packiam, D.; Vidyasagar, Kanamaluru","Syntheses and characterization of phosphonates and diphosphonates of molybdenum, A4[(MoO3)5(O3PR)2]·xH2O, A2[Mo2O5(O3PR)2] and A2[Mo2O5(O3P-R-PO3)] (A = K, Rb, Cs, Tl, NH4)","Dalton Transactions","2017","","","","","10.1039/C7DT03012F","","","0.71073","MoKα","","0.0743","0.0572","","","0.1391","0.1549","","","","","","1.098","","","","has coordinates","203098","2020-10-21","18:00:00",""
"7044745","9.7029","0.0017","9.9848","0.0015","15.2069","0.0018","90","","90","","90","","1473.3","0.4","296","2","296","2","","","","","","","","6","P b a m","-P 2 2ab","55","","","","- C6 H4 Mo2 O11 P2 Rb2 -","- C6 H4 Mo2 O11 P2 Rb2 -","- C24 H16 Mo8 O44 P8 Rb8 -","4","0.5","","Elias Jesu Packiam, D.; Vidyasagar, Kanamaluru","Syntheses and characterization of phosphonates and diphosphonates of molybdenum, A4[(MoO3)5(O3PR)2]·xH2O, A2[Mo2O5(O3PR)2] and A2[Mo2O5(O3P-R-PO3)] (A = K, Rb, Cs, Tl, NH4)","Dalton Transactions","2017","","","","","10.1039/C7DT03012F","","","0.71073","MoKα","","0.0914","0.0701","","","0.1799","0.1935","","","","","","1.001","","","","has coordinates,has disorder","203098","2020-10-21","18:00:00",""
"7044746","11.5173","0.0013","14.2819","0.0016","15.8654","0.0018","90","","98.361","0.002","90","","2581.9","0.5","296","2","296","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C26 H19 Cl2 N6 Ni O5 -","- C26 H19 Cl2 N6 Ni O5 -","- C104 H76 Cl8 N24 Ni4 O20 -","4","1","","Cui, Jing-Wang; hou, Suo-Xia; Li, Yuehua; Cui, Guang Hua","A multifunctional Ni(II) coordination polymer: synthesis, crystal structure and applications as luminescence sensor, electrochemical probe, and photocatalyst","Dalton Transactions","2017","","","","","10.1039/C7DT03874G","","","0.71073","MoKα","","0.0782","0.0463","","","0.1043","0.1207","","","","","","0.989","","","","has coordinates","203202","2020-10-21","18:00:00",""
"7044747","18.0405","0.0009","12.9922","0.0006","14.9125","0.0007","90","","113.297","0.001","90","","3210.3","0.3","100","2","100","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C26 H28 Eu N3 O17 Zn -","- C26 H28 Eu N3 O17 Zn -","- C104 H112 Eu4 N12 O68 Zn4 -","4","1","","Zou, Jiyong; Li, Ling; You, Shengyong; Cui, Hong-Min; Zeng, Guoping; Cui, Jian-zhong","Tuning the luminescence of two 3d-4f metal-organic frameworks for fast response and highly selective detection of aniline","Dalton Transactions","2017","","","","","10.1039/C7DT03545D","","","0.71073","MoKα","","0.0279","0.0247","","","0.0593","0.0611","","","","","","1.077","","","","has coordinates,has disorder","203203","2020-10-21","18:00:00",""
"7044748","17.9663","0.0018","12.9541","0.0013","14.8528","0.0016","90","","113.249","0.001","90","","3176.1","0.6","100","2","100","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C26 H28 Eu0 N3 O17 Tb Zn -","- C26 H28 N3 O17 Tb Zn -","- C104 H112 N12 O68 Tb4 Zn4 -","4","1","","Zou, Jiyong; Li, Ling; You, Shengyong; Cui, Hong-Min; Zeng, Guoping; Cui, Jian-zhong","Tuning the luminescence of two 3d-4f metal-organic frameworks for fast response and highly selective detection of aniline","Dalton Transactions","2017","","","","","10.1039/C7DT03545D","","","0.71073","MoKα","","0.0357","0.03","","","0.0763","0.0803","","","","","","1.14","","","","has coordinates,has disorder","203203","2020-10-21","18:00:00",""
"7044749","10.5226","0.0007","11.775","0.0008","15.3762","0.0009","97.557","0.002","96.955","0.002","100.215","0.002","1838.2","0.2","120","2","120","2","","","","","","","","5","P -1","-P 1","2","","","","- C46 H38 Cd N4 O4 -","- C46 H38 Cd N4 O4 -","- C92 H76 Cd2 N8 O8 -","2","1","","Gong, Wei-Jie; Yao, Rui; Li, Hong-Xi; Ren, Zhi-Gang; Zhang, Jian-Guo; Lang, Jian-Ping","Luminescent cadmium(II) coordination polymers of 1,2,4,5-tetrakis(4-pyridylvinyl)benzene used as efficient multi-responsive sensors for toxic metal ions in water","Dalton Transactions","2017","","","","","10.1039/C7DT03876C","","","0.71073","MoKα","","0.0588","0.0485","","","0.1277","0.1324","","","","","","1.025","","","","has coordinates","203204","2020-10-21","18:00:00",""
"7044750","8.4896","0.0009","9.5318","0.001","11.2454","0.001","82.451","0.008","88.668","0.008","81.155","0.009","891.37","0.16","153","2","153","2","","","","","","","","5","P -1","-P 1","2","","","","- C46 H32 Cd N4 O4 -","- C46 H30 Cd N4 O4 -","- C46 H30 Cd N4 O4 -","1","0.5","","Gong, Wei-Jie; Yao, Rui; Li, Hong-Xi; Ren, Zhi-Gang; Zhang, Jian-Guo; Lang, Jian-Ping","Luminescent cadmium(II) coordination polymers of 1,2,4,5-tetrakis(4-pyridylvinyl)benzene used as efficient multi-responsive sensors for toxic metal ions in water","Dalton Transactions","2017","","","","","10.1039/C7DT03876C","","","0.71073","MoKα","","0.1151","0.0603","","","0.113","0.1317","","","","","","0.955","","","","has coordinates,has disorder","203204","2020-10-21","18:00:00",""
"7044751","10.3534","0.001","11.1962","0.0006","17.0285","0.0012","91.043","0.005","99.268","0.007","101.857","0.006","1903.9","0.3","223","2","223","2","","","","","","","","5","P -1","-P 1","2","","","","- C44.5 H33.5 Cd N4.5 O6.5 -","- C43 H30 Cd N4 O6 -","- C86 H60 Cd2 N8 O12 -","2","1","","Gong, Wei-Jie; Yao, Rui; Li, Hong-Xi; Ren, Zhi-Gang; Zhang, Jian-Guo; Lang, Jian-Ping","Luminescent cadmium(II) coordination polymers of 1,2,4,5-tetrakis(4-pyridylvinyl)benzene used as efficient multi-responsive sensors for toxic metal ions in water","Dalton Transactions","2017","","","","","10.1039/C7DT03876C","","","0.71073","MoKα","","0.1171","0.0678","","","0.139","0.1611","","","","","","0.936","","","","has coordinates","203204","2020-10-21","18:00:00",""
"7044752","13.937","0.004","10.516","0.003","18.021","0.005","90","","104.909","0.007","90","","2552.3","1.3","100","","100","","","","","","","","acetonitrile","8","P 1 21/c 1","-P 2ybc","14","","N-methyl-2-pyridyl-triphenylphosphonium tetrafluorborate trifluorosulfonate","","- C25 H22 B F7 N O3 P S -","- C25 H22 B F7 N O3 P S -","- C100 H88 B4 F28 N4 O12 P4 S4 -","4","1","","Barrado, Alejandro G.; Bayne, Julia M.; Johnstone, Timothy C.; Lehmann, Christian W.; Stephan, Douglas W.; Alcarazo, Manuel","Dicationic phosphonium salts: Lewis acid initiators for the Mukaiyama-aldol reaction","Dalton Transactions","2017","","","","","10.1039/C7DT03197A","","","1.54178","Cu-Kα","","0.104","0.0669","","","0.1614","0.1832","","","","","","1.05","","","","has coordinates","203205","2020-10-21","18:00:00",""
"7044753","9.4391","0.0003","10.34","0.0004","28.9765","0.001","90","","94.4003","0.001","90","","2819.78","0.17","100","","100","","","","","","","","acetonitrile","7","P 1 21/n 1","-P 2yn","14","","","","- C26 H22 F6 N O6 P S2 -","- C26 H22 F6 N O6 P S2 -","- C104 H88 F24 N4 O24 P4 S8 -","4","1","","Barrado, Alejandro G.; Bayne, Julia M.; Johnstone, Timothy C.; Lehmann, Christian W.; Stephan, Douglas W.; Alcarazo, Manuel","Dicationic phosphonium salts: Lewis acid initiators for the Mukaiyama-aldol reaction","Dalton Transactions","2017","","","","","10.1039/C7DT03197A","","","1.54178","Cu-Kα","","0.0405","0.0379","","","0.0977","0.1001","","","","","","1.053","","","","has coordinates","276360","2022-06-28","17:26:33",""
"7044754","14.2328","0.0007","14.804","0.0007","16.3008","0.0008","90","","92.5451","0.0018","90","","3431.2","0.3","100","","100","","","","","","","","dichlormethane","6","C 1 c 1","C -2yc","9","","","","- C34 H45 B2 F8 N2 P -","- C34 H45 B2 F8 N2 P -","- C136 H180 B8 F32 N8 P4 -","4","1","","Barrado, Alejandro G.; Bayne, Julia M.; Johnstone, Timothy C.; Lehmann, Christian W.; Stephan, Douglas W.; Alcarazo, Manuel","Dicationic phosphonium salts: Lewis acid initiators for the Mukaiyama-aldol reaction","Dalton Transactions","2017","","","","","10.1039/C7DT03197A","","","1.54178","Cu-Kα","","0.0774","0.0768","","","0.2006","0.2017","","","","","","1.085","","","","has coordinates,has disorder","276360","2022-06-28","17:26:33",""
"7044755","10.6966","0.0004","10.6522","0.0009","16.6805","0.0009","90","","93.699","0.004","90","","1896.7","0.2","100","","100","","","","","","","","dichloromethane,acetonitrile","7","P 1 21 1","P 2yb","4","","","","- C34 H42 B2 Cl2 F11 N2 P -","- C34 H42 B2 Cl2 F11 N2 P -","- C68 H84 B4 Cl4 F22 N4 P2 -","2","1","","Barrado, Alejandro G.; Bayne, Julia M.; Johnstone, Timothy C.; Lehmann, Christian W.; Stephan, Douglas W.; Alcarazo, Manuel","Dicationic phosphonium salts: Lewis acid initiators for the Mukaiyama-aldol reaction","Dalton Transactions","2017","","","","","10.1039/C7DT03197A","","","0.71073","MoKα","","0.0396","0.037","","","0.0972","0.0998","","","","","","1.038","","","","has coordinates,has disorder","276360","2022-06-28","17:26:33",""
"7044756","19.13","0.005","8.863","0.002","20.028","0.005","90","","107.084","0.006","90","","3245.9","1.4","100","2","100","2","","","","","","","dichloromethane","7","P 1 21/c 1","-P 2ybc","14","","","","- C30 H33 B2 Cl2 F8 N2 P -","- C30 H33 B2 Cl2 F8 N2 P -","- C120 H132 B8 Cl8 F32 N8 P4 -","4","1","","Barrado, Alejandro G.; Bayne, Julia M.; Johnstone, Timothy C.; Lehmann, Christian W.; Stephan, Douglas W.; Alcarazo, Manuel","Dicationic phosphonium salts: Lewis acid initiators for the Mukaiyama-aldol reaction","Dalton Transactions","2017","","","","","10.1039/C7DT03197A","","","1.54178","Cu-Kα","","0.0696","0.0551","","","0.1317","0.1404","","","","","","1.081","","","","has coordinates,has disorder","203205","2020-10-21","18:00:00",""
"7044757","26.974","0.004","14.0542","0.0018","17.075","0.002","90","","108.586","0.003","90","","6135.5","1.4","100","","100","","","","","","","","dichloromethan,pentane","7","C 1 2/c 1","-C 2yc","15","","","","- C56 H52 F12 N2 O13 P2 S4 -","- C56 H52 F12 N2 O13 P2 S4 -","- C224 H208 F48 N8 O52 P8 S16 -","4","0.5","","Barrado, Alejandro G.; Bayne, Julia M.; Johnstone, Timothy C.; Lehmann, Christian W.; Stephan, Douglas W.; Alcarazo, Manuel","Dicationic phosphonium salts: Lewis acid initiators for the Mukaiyama-aldol reaction","Dalton Transactions","2017","","","","","10.1039/C7DT03197A","","","0.71073","Mo-Kα","","0.1111","0.0657","","","0.1715","0.2005","","","","","","1.027","","","","has coordinates,has disorder","276360","2022-06-28","17:26:33",""
"7044758","10.7253","0.0019","18.314","0.003","20.167","0.004","113.338","0.003","90.98","0.003","93.392","0.003","3627.2","1.1","100","","100","","","","","","","","dichloromethane,acetonitrile","6","P -1","-P 1","2","","","","- C34 H45 B2 F8 N4 P -","- C34 H45 B2 F8 N4 P -","- C136 H180 B8 F32 N16 P4 -","4","2","","Barrado, Alejandro G.; Bayne, Julia M.; Johnstone, Timothy C.; Lehmann, Christian W.; Stephan, Douglas W.; Alcarazo, Manuel","Dicationic phosphonium salts: Lewis acid initiators for the Mukaiyama-aldol reaction","Dalton Transactions","2017","","","","","10.1039/C7DT03197A","","","0.71073","Mo-Kα","","0.1138","0.0829","","","0.2185","0.2454","","","","","","1.033","","","","has coordinates,has disorder","276360","2022-06-28","17:26:33",""
"7044759","18.675","0.003","15.547","0.003","25.725","0.004","90","","95.33","0.003","90","","7437","2","100","2","100.15","","","","","","","","dichloromethane,pentane","7","P 1 21/n 1","-P 2yn","14","","","","- C68 H90 B4 Cl4 F16 N4 P2 -","- C67.9999 H89.9998 B4 Cl3.9998 F15.9994 N4 P2 -","- C272 H359.999 B16 Cl15.9992 F63.9976 N16 P8 -","4","1","","Barrado, Alejandro G.; Bayne, Julia M.; Johnstone, Timothy C.; Lehmann, Christian W.; Stephan, Douglas W.; Alcarazo, Manuel","Dicationic phosphonium salts: Lewis acid initiators for the Mukaiyama-aldol reaction","Dalton Transactions","2017","","","","","10.1039/C7DT03197A","","","0.71073","MoKα","","0.1068","0.0727","","","0.1778","0.2013","","","","","","1.036","","","","has coordinates,has disorder","203205","2020-10-21","18:00:00",""
"7044760","18.5528","0.0007","15.2508","0.0005","24.3972","0.0009","90","","101.876","0.0013","90","","6755.3","0.4","150","2","150","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","[bis(tBu-DIP)Fe][PF6]2","bis(2,6-bis[1-(4-tert-butylphenylimino)ethyl]pyridine)iron hexafluorophosphate","","- C60 H74 Cl4 F12 Fe N6 P2 -","- C60 H74 Cl4 F12 Fe N6 P2 -","- C240 H296 Cl16 F48 Fe4 N24 P8 -","4","1","","Martins da Silva Almeida Duarte, Gabriel; Braun, Jason D.; Giesbrecht, Patrick Kendall; Herbert, David E.","Redox Non-Innocent Bis(2,6-diimine-pyridine) Ligand-Iron Complexes as Anolytes for Flow Battery Applications","Dalton Transactions","2017","","","","","10.1039/C7DT03915H","","","0.71073","MoKα","","0.0874","0.0668","","","0.177","0.1967","","","","","","1.071","","","","has coordinates,has disorder","203206","2020-10-21","18:00:00",""
"7044768","12.964","0.005","30.036","0.011","15.807","0.006","90","","106.065","0.004","90","","5915","4","100","2","100","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C53 H65.5 Cl12 N8 O0.75 Ru -","- C53 H65.5 Cl12 N8 O0.75 Ru -","- C212 H262 Cl48 N32 O3 Ru4 -","4","1","","Li, Ji; Zhang, Peipei; Xu, Yan; Su, Zhi; Qian, Yong; Li, Shunli; Yu, Tao; Sadler, Peter J.; Liu, Hong-Ke","A novel strategy to construct Janus metallamacrocycles with both a Ru‒arene face and an imidazolium face","Dalton Transactions","2017","","","","","10.1039/C7DT03374E","","","0.71073","MoKα","","0.104","0.0765","","","0.1639","0.1759","","","","","","1.197","","","","has coordinates,has disorder","203208","2020-10-21","18:00:00",""
"7044769","12.568","0.005","31.904","0.005","14.478","0.005","90","","96.956","0.005","90","","5763","3","293","2","293","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C47 H82 Cl4 N8 O11 Ru -","- C47 H60 Cl2 N8 Ru -","- C188 H240 Cl8 N32 Ru4 -","4","1","","Li, Ji; Zhang, Peipei; Xu, Yan; Su, Zhi; Qian, Yong; Li, Shunli; Yu, Tao; Sadler, Peter J.; Liu, Hong-Ke","A novel strategy to construct Janus metallamacrocycles with both a Ru‒arene face and an imidazolium face","Dalton Transactions","2017","","","","","10.1039/C7DT03374E","","","0.71069","MoKα","","0.0788","0.0454","","","0.1105","0.1231","","","","","","0.903","","","","has coordinates,has disorder","203208","2020-10-21","18:00:00",""
"7044770","12.694","0.005","31.347","0.012","14.646","0.006","90","","98.607","0.005","90","","5762","4","100","2","100","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C50 H65 Cl9.75 I0.25 N8 O Ru -","- C50 H65 Cl9.75 I0.25 N8 O Ru -","- C200 H260 Cl39 I N32 O4 Ru4 -","4","1","","Li, Ji; Zhang, Peipei; Xu, Yan; Su, Zhi; Qian, Yong; Li, Shunli; Yu, Tao; Sadler, Peter J.; Liu, Hong-Ke","A novel strategy to construct Janus metallamacrocycles with both a Ru‒arene face and an imidazolium face","Dalton Transactions","2017","","","","","10.1039/C7DT03374E","","","0.71073","MoKα","","0.1248","0.1138","","","0.2698","0.2743","","","","","","1.152","","","","has coordinates,has disorder","203208","2020-10-21","18:00:00",""
"7044771","21.086","0.003","23.518","0.004","14.273","0.003","90","","104.275","0.004","90","","6859","2","100","2","100","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C51 H68 Cl12 N8 Ru -","- C51 H68 Cl12 N8 Ru -","- C204 H272 Cl48 N32 Ru4 -","4","1","","Li, Ji; Zhang, Peipei; Xu, Yan; Su, Zhi; Qian, Yong; Li, Shunli; Yu, Tao; Sadler, Peter J.; Liu, Hong-Ke","A novel strategy to construct Janus metallamacrocycles with both a Ru‒arene face and an imidazolium face","Dalton Transactions","2017","","","","","10.1039/C7DT03374E","","","0.71073","MoKα","","0.0501","0.0462","","","0.1322","0.1362","","","","","","1.042","","","","has coordinates","203208","2020-10-21","18:00:00",""
"7044772","7.5725","0.0011","7.5725","0.0011","13.338","0.003","90","","90","","120","","662.4","0.2","298","2","298","2","","","","","","","","5","P 63/m m c","-P 6c 2c","194","","","","- C7 H6 Ca Co N9 -","- C7 Ca Co N9.0002 -","- C14 Ca2 Co2 N18.0004 -","2","0.0833333","","Liu, Yu-Ling; Zhang, Wen","Dielectric transitions and relaxations in Ca(ii)Co(iii)-based cyanometallate frameworks with a rare (6,6)-connected nia topology.","Dalton transactions (Cambridge, England : 2003)","2017","47","1","45","48","10.1039/c7dt03855k","","","0.71073","MoKα","","0.0534","0.0531","","","0.1888","0.1891","","","","","","1.326","","","","has coordinates","229377","2020-10-21","18:00:00",""
"7044773","7.5487","0.0011","7.5487","0.0011","13.313","0.003","90","","90","","120","","657","0.2","298","2","298","2","","","","","","","","6","P 63/m m c","-P 6c 2c","194","","","","- C7 H5 Ca Co N8 O -","- C7 Ca Co N8.0004 O -","- C14 Ca2 Co2 N16.0008 O2 -","2","0.0833333","","Liu, Yu-Ling; Zhang, Wen","Dielectric transitions and relaxations in Ca(ii)Co(iii)-based cyanometallate frameworks with a rare (6,6)-connected nia topology.","Dalton transactions (Cambridge, England : 2003)","2017","47","1","45","48","10.1039/c7dt03855k","","","0.71073","MoKα","","0.0831","0.0828","","","0.2428","0.2429","","","","","","1.244","","","","has coordinates","229377","2020-10-21","18:00:00",""
"7044774","7.5237","0.0011","7.5237","0.0011","13.576","0.003","90","","90","","120","","665.5","0.2","298","2","298","2","","","","","","","","6","P 63/m m c","-P 6c 2c","194","","","","- C7 H5 Ca Co N8 S -","- C7 Ca Co N8.0004 S -","- C14 Ca2 Co2 N16.0008 S2 -","2","0.0833333","","Liu, Yu-Ling; Zhang, Wen","Dielectric transitions and relaxations in Ca(ii)Co(iii)-based cyanometallate frameworks with a rare (6,6)-connected nia topology.","Dalton transactions (Cambridge, England : 2003)","2017","47","1","45","48","10.1039/c7dt03855k","","","0.71073","MoKα","","0.0753","0.0751","","","0.2424","0.2425","","","","","","1.229","","","","has coordinates","229377","2020-10-21","18:00:00",""
"7044775","7.505","0.007","7.505","0.007","13.575","0.018","90","","90","","120","","662.2","1.2","93","2","93","2","","","","","","","","6","P 63/m m c","-P 6c 2c","194","","","","- C7 H5 Ca Co N8 S -","- C7 Ca Co N8.0004 S -","- C14 Ca2 Co2 N16.0008 S2 -","2","0.0833333","","Liu, Yu-Ling; Zhang, Wen","Dielectric transitions and relaxations in Ca(ii)Co(iii)-based cyanometallate frameworks with a rare (6,6)-connected nia topology.","Dalton transactions (Cambridge, England : 2003)","2017","47","1","45","48","10.1039/c7dt03855k","","","0.71073","MoKα","","0.0703","0.0697","","","0.2136","0.214","","","","","","1.259","","","","has coordinates","229377","2020-10-21","18:00:00",""
"7044776","7.529","0.006","7.529","0.006","13.243","0.014","90","","90","","120","","650.1","1","93","2","93","2","","","","","","","","6","P 63/m m c","-P 6c 2c","194","","","","- C7 H5 Ca Co N8 O -","- C7 Ca Co N8.0001 O -","- C14 Ca2 Co2 N16.0002 O2 -","2","0.0833333","","Liu, Yu-Ling; Zhang, Wen","Dielectric transitions and relaxations in Ca(ii)Co(iii)-based cyanometallate frameworks with a rare (6,6)-connected nia topology.","Dalton transactions (Cambridge, England : 2003)","2017","47","1","45","48","10.1039/c7dt03855k","","","0.71073","MoKα","","0.0874","0.087","","","0.2299","0.2302","","","","","","1.135","","","","has coordinates","229377","2020-10-21","18:00:00",""
"7044777","7.575","0.007","7.575","0.007","13.31","0.02","90","","90","","120","","661.4","1.3","93","2","93","2","","","","","","","","5","P 63/m m c","-P 6c 2c","194","","","","- C7 H6 Ca Co N9 -","- C7 Ca Co N8.9999 -","- C14 Ca2 Co2 N17.9998 -","2","0.0833333","","Liu, Yu-Ling; Zhang, Wen","Dielectric transitions and relaxations in Ca(ii)Co(iii)-based cyanometallate frameworks with a rare (6,6)-connected nia topology.","Dalton transactions (Cambridge, England : 2003)","2017","47","1","45","48","10.1039/c7dt03855k","","","0.71073","MoKα","","0.0718","0.0702","","","0.2052","0.2072","","","","","","1.205","","","","has coordinates","229377","2020-10-21","18:00:00",""
"7044778","10.197","0.005","7.101","0.005","12.014","0.003","90","","99.124","0.002","90","","858.9","0.8","100","2","100","2","","","","","","","","7","P 1 21/m 1","-P 2yb","11","","","","- C16 H19 Cl N4 O Pt S -","- C16 H19 Cl N4 O Pt S -","- C32 H38 Cl2 N8 O2 Pt2 S2 -","2","0.5","","Marcos, Ismael; Ojea, Vicente; Vazquez-Garcia, Digna; Fernández Sánchez, Jesús José; Fernández, Alberto; Lopez-Torres, Margarita; Lado, Jorge; VILA, JOSE M","Preparation and characterization of terdentate [C,N,N] acetophenone and acetylpyridine hydrazone platinacycles. A DFT insight into the reaction mechanism","Dalton Transactions","2017","","","","","10.1039/C7DT03418K","","","0.71073","MoKα","","0.0326","0.0257","","","0.0558","0.0587","","","","","","1.031","","","","has coordinates","203210","2020-10-21","18:00:00",""
"7044779","19.819","0.005","15.689","0.005","29.119","0.005","90","","90","","90","","9054","4","100","2","100","2","","","","","","","","7","P c a 21","P 2c -2ac","29","","","","- C76 H80 Cl6 N12 O2.5 P3 Pt3 -","- C76 H80 Cl6 N12 O2.5 P3 Pt3 -","- C304 H320 Cl24 N48 O10 P12 Pt12 -","4","1","","Marcos, Ismael; Ojea, Vicente; Vazquez-Garcia, Digna; Fernández Sánchez, Jesús José; Fernández, Alberto; Lopez-Torres, Margarita; Lado, Jorge; VILA, JOSE M","Preparation and characterization of terdentate [C,N,N] acetophenone and acetylpyridine hydrazone platinacycles. A DFT insight into the reaction mechanism","Dalton Transactions","2017","","","","","10.1039/C7DT03418K","","","0.71073","MoKα","","0.0775","0.0634","","","0.1443","0.1504","","","","","","1.158","","","","has coordinates,has disorder","203210","2020-10-21","18:00:00",""
"7044780","10.226818","0.000063","12.095846","0.000071","13.867132","0.000081","104.653","0.0004","100.811","0.0006","102.523","0.00062","1565.84","0.018","293","","293","","","","","","","","","7","P -1","-P 1","2","","","","- C10 H18 F3 Ga7 N2 O28 P6 -","- C10 H12 F3 Ga7 N2 O28 P6 -","- C20 H24 F6 Ga14 N4 O56 P12 -","2","1","","Broom, Lucy; Clarkson, Guy J.; Guillou, Nathalie; Hooper, Joseph; Dawson, Daniel; Tang, Chiu; Ashbrook, Sharon Elizabeth; Walton, Richard I.","A Gel Aging Effect in the Synthesis of Open-Framework Gallium Phosphates: Structure Solution and Solid-State NMR of a Large-Pore, Open-Framework Material","Dalton Transactions","2017","","","","","10.1039/C7DT03709K","powder diffraction","","0.825781","X-raysynchrotron","","","","","","","","","0.036","3.03","","","","","","","has coordinates","203225","2020-10-21","18:00:00",""
"7044781","5.0991","0.0002","12.0631","0.0006","13.8405","0.0009","104.626","0.005","100.346","0.005","101.936","0.004","781.41","0.08","100","2","100","2","","","","","","","","7","P -1","-P 1","2","","","","- C6.66 H9.99 F2.67 Ga7 N3.33 O28 P6 -","- C6.664 H9.996 F2.666 Ga7 N3.332 O28 P6 -","- C6.664 H9.996 F2.666 Ga7 N3.332 O28 P6 -","1","0.5","","Broom, Lucy; Clarkson, Guy J.; Guillou, Nathalie; Hooper, Joseph; Dawson, Daniel; Tang, Chiu; Ashbrook, Sharon Elizabeth; Walton, Richard I.","A Gel Aging Effect in the Synthesis of Open-Framework Gallium Phosphates: Structure Solution and Solid-State NMR of a Large-Pore, Open-Framework Material","Dalton Transactions","2017","","","","","10.1039/C7DT03709K","","x-ray","0.71075","MoKα","","0.0854","0.0607","","","0.1385","0.1472","","","","","","1.105","","","","has coordinates,has disorder","203225","2020-10-21","18:00:00",""
"7044782","4.2173","0.0006","4.2173","0.0006","24.112","0.003","90","","90","","120","","371.39","0.09","296","2","296","2","","","","","","","","3","R -3 m :H","-R 3 2""","166","","","","- Sc Te2 Tl0.975 -","- Sc Te2 Tl0.9753 -","- Sc3 Te6 Tl2.9259 -","3","0.0833333","","Aswathy, Vijayakumar Sajitha; Sankar, Cheriyedath Raj; Varma, Manoj Raama; Assoud, Abdeljalil; Bieringer, Mario; Kleinke, Holger","Thermoelectric properties and thermal stability of layered chalcogenides, TlScQ2, Q= Se, Te","Dalton Transactions","2017","","","","","10.1039/C7DT03446F","","","0.71073","MoKα","","0.0124","0.0123","","","0.0283","0.0284","","","","","","1.056","","","","has coordinates","203226","2020-10-21","18:00:00",""
"7044783","4.2133","0.0002","4.2133","0.0002","24.088","0.002","90","","90","","120","","370.32","0.04","298","2","298","2","","","","","","","","3","R -3 m :H","-R 3 2""","166","","","","- Sc Te2 Tl0.96 -","- Sc Te2 Tl0.961 -","- Sc3 Te6 Tl2.883 -","3","0.0833333","","Aswathy, Vijayakumar Sajitha; Sankar, Cheriyedath Raj; Varma, Manoj Raama; Assoud, Abdeljalil; Bieringer, Mario; Kleinke, Holger","Thermoelectric properties and thermal stability of layered chalcogenides, TlScQ2, Q= Se, Te","Dalton Transactions","2017","","","","","10.1039/C7DT03446F","","","0.71073","MoKα","","0.028","0.028","","","0.0792","0.0792","","","","","","1.215","","","","has coordinates","203226","2020-10-21","18:00:00",""
"7044784","20.785","0.0012","30.2224","0.0018","7.2085","0.0006","90","","90","","90","","4528.2","0.5","100","2","100","2","","","","","","","","5","P c c n","-P 2ab 2ac","56","","","","- C19 H23 Ga N3 O12 -","- C19 H23 Ga N3 O12 -","- C152 H184 Ga8 N24 O96 -","8","1","","Price, Thomas W.; Gallo, Juan; Kubicek, Vojtech; Bohmova, Zuzana; Prior, Timothy J.; Greenman, John; Hermann, Petr; Stasiuk, Graeme J.","Amino Acid Based Gallium-68 Chelators Capable of Radiolabeling at Neutral pH","Dalton Transactions","2017","","","","","10.1039/C7DT03398B","","","0.6889","synchrotron","","0.1604","0.0999","","","0.2359","0.2888","","","","","","0.97","","","","has coordinates","203245","2020-10-21","18:00:00",""
"7044785","7.0852","0.0006","32.29","0.004","7.6786","0.0006","90","","94.108","0.007","90","","1752.2","0.3","150","2","150","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C19 H19 N3 O8 -","- C19 H19 N3 O8 -","- C76 H76 N12 O32 -","4","1","","Price, Thomas W.; Gallo, Juan; Kubicek, Vojtech; Bohmova, Zuzana; Prior, Timothy J.; Greenman, John; Hermann, Petr; Stasiuk, Graeme J.","Amino Acid Based Gallium-68 Chelators Capable of Radiolabeling at Neutral pH","Dalton Transactions","2017","","","","","10.1039/C7DT03398B","","","0.71073","MoKα","","0.095","0.0401","","","0.0612","0.0676","","","","","","0.766","","","","has coordinates,has disorder","203245","2020-10-21","18:00:00",""
"7044786","7.0681","0.0001","8.2192","0.0001","15.9952","0.0002","93.618","0.001","93.792","0.001","91.913","0.001","924.69","0.02","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","","","- C16 H20 Ga N3 O10 -","- C16 H20 Ga N3 O10 -","- C32 H40 Ga2 N6 O20 -","2","1","","Price, Thomas W.; Gallo, Juan; Kubicek, Vojtech; Bohmova, Zuzana; Prior, Timothy J.; Greenman, John; Hermann, Petr; Stasiuk, Graeme J.","Amino Acid Based Gallium-68 Chelators Capable of Radiolabeling at Neutral pH","Dalton Transactions","2017","","","","","10.1039/C7DT03398B","","","0.6889","synchrotron","","0.0491","0.0425","","","0.1062","0.1099","","","","","","1.01","","","","has coordinates","203245","2020-10-21","18:00:00",""
"7044787","12.317","0.002","22.811","0.005","14.606","0.003","90","","109.718","0.006","90","","3863.1","1.3","100","2","100","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C26 H37 B2 Br5 N2 -","- C26 H37 B2 Br5 N2 -","- C104 H148 B8 Br20 N8 -","4","1","","Hickox, Hunter P.; Wang, Yuzhong; Luedecke, Kaitlin M.; Xie, Yaoming; Wei, Pingrong; Carrillo, Deidrah; Dominique, Nathaniel L.; Cui, Dongtao; Schaefer, Henry F.; Robinson, Gregory H.","1,3,2-Diazaborole-derived carbene complexes of boron.","Dalton transactions (Cambridge, England : 2003)","2017","47","1","41","44","10.1039/c7dt04079b","","","0.71073","MoKα","","0.0534","0.039","","","0.0836","0.0884","","","","","","1.023","","","","has coordinates","229387","2020-10-21","18:00:00",""
"7044788","19.6037","0.0012","17.1792","0.0011","37.549","0.002","90","","90","","90","","12645.6","1.3","297","2","297","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C26 H36 B2 Br4 N2 -","- C26 H36 B2 Br4 N2 -","- C416 H576 B32 Br64 N32 -","16","2","","Hickox, Hunter P.; Wang, Yuzhong; Luedecke, Kaitlin M.; Xie, Yaoming; Wei, Pingrong; Carrillo, Deidrah; Dominique, Nathaniel L.; Cui, Dongtao; Schaefer, Henry F.; Robinson, Gregory H.","1,3,2-Diazaborole-derived carbene complexes of boron.","Dalton transactions (Cambridge, England : 2003)","2017","47","1","41","44","10.1039/c7dt04079b","","","0.71073","MoKα","","0.1618","0.0734","","","0.1574","0.1941","","","","","","1.01","","","","has coordinates","229387","2020-10-21","18:00:00",""
"7044789","12.2369","0.0006","14.6825","0.0007","18.061","0.0008","90","","90","","90","","3245","0.3","297","2","297","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C26 H36 B2 Br I3 N2 -","- C26 H36 B2 Br I3 N2 -","- C104 H144 B8 Br4 I12 N8 -","4","1","","Hickox, Hunter P.; Wang, Yuzhong; Luedecke, Kaitlin M.; Xie, Yaoming; Wei, Pingrong; Carrillo, Deidrah; Dominique, Nathaniel L.; Cui, Dongtao; Schaefer, Henry F.; Robinson, Gregory H.","1,3,2-Diazaborole-derived carbene complexes of boron.","Dalton transactions (Cambridge, England : 2003)","2017","47","1","41","44","10.1039/c7dt04079b","","","0.71073","MoKα","","0.0471","0.0378","","","0.0925","0.0982","","","","","","1.072","","","","has coordinates","229387","2020-10-21","18:00:00",""
"7044790","10.9246","0.0006","11.2207","0.0007","18.6557","0.0011","90","","90.402","0.001","90","","2286.8","0.2","150","2","150","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C23 H15 B F2 N2 S4 -","- C23 H15 B F2 N2 S4 -","- C92 H60 B4 F8 N8 S16 -","4","0.5","","Leushina, Evgenia; Usoltsev, Ilya; Bezzubov, Stanislav; Moiseeva, Anna A.; Terenina, Maria; Anisimov, Alexander; Taidakov, Ilya V.; Khoroshutin, Andrey","Bodipy Dyes with Thienyl- and Dithienythio-Substituents ‒ Synthesis, Redox and Fluorescent Properties","Dalton Transactions","2017","","","","","10.1039/C7DT03801A","","","0.71073","MoKα","","0.0664","0.0513","","","0.142","0.1557","","","","","","1.08","","","","has coordinates,has disorder","203319","2020-10-21","18:00:00",""
"7044791","15.5188","0.0007","8.5784","0.0003","30.9458","0.0013","90","","92.578","0.004","90","","4115.5","0.3","100","2","100","2","","","","","","","","8","P 1 21/c 1","-P 2ybc","14","","","","- C39 H38 Cl F6 Ir N5 O2 P -","- C39 H38 Cl F6 Ir N5 O2 P -","- C156 H152 Cl4 F24 Ir4 N20 O8 P4 -","4","1","","Gao, Tao-Bao; Yan, Run-Qi; Metherell, Alexander J.; Cao, Deng-Ke; Ye, Deju; Ward, Michael D.","Coordination mode-induced isomeric cyclometalated [Ir(tpy)(nbi)Cl](PF6) complexes: distinct luminescence, self-assembly and cellular imaging behaviors","Dalton Transactions","2017","","","","","10.1039/C7DT03523C","","","0.71073","MoKα","","0.1167","0.0928","","","0.2143","0.2249","","","","","","1.263","","","","has coordinates","203320","2020-10-21","18:00:00",""
"7044792","22.8432","0.0012","16.3316","0.0009","16.2218","0.0009","90","","90","","90","","6051.8","0.6","296","2","296","2","","","","","","","","7","P c c n","-P 2ab 2ac","56","","","","- C32 H22 Cl F6 Ir N5 P -","- C32 H22 Cl F6 Ir N5 P -","- C256 H176 Cl8 F48 Ir8 N40 P8 -","8","1","","Gao, Tao-Bao; Yan, Run-Qi; Metherell, Alexander J.; Cao, Deng-Ke; Ye, Deju; Ward, Michael D.","Coordination mode-induced isomeric cyclometalated [Ir(tpy)(nbi)Cl](PF6) complexes: distinct luminescence, self-assembly and cellular imaging behaviors","Dalton Transactions","2017","","","","","10.1039/C7DT03523C","","","0.71073","MoKα","","0.0494","0.0304","","","0.0762","0.0828","","","","","","1.033","","","","has coordinates","203320","2020-10-21","18:00:00",""
"7044793","10.0065","0.0006","17.7675","0.001","11.8168","0.0008","90","","109.875","0.004","90","","1975.8","0.2","100","2","100","2","","","","","","","","5","P 1 21/m 1","-P 2yb","11","","","","- C35 H41 N8 O16 Tb -","- C35 H41 N8 O16 Tb -","- C70 H82 N16 O32 Tb2 -","2","0.5","","Fondo, Matilde; Corredoira-Vázquez, Julio; Herrera-Lanzós, Antia; Garcia-Deibe, Ana M.; Sanmartin Matalobos, Jesus; Herrera, Juan Manuel; Colacio, Enrique; Nuñez, Cristina","Improving the SMM and luminescent properties of lanthanide complexes with LnO9 cores in the presence of ZnII: an emissive Zn2Dy single ion magnet","Dalton Transactions","2017","","","","","10.1039/C7DT03438E","","","0.71073","MoKα","","0.034","0.0307","","","0.0683","0.0693","","","","","","1.201","","","","has coordinates,has disorder","203321","2020-10-21","18:00:00",""
"7044794","10.057","0.0006","17.6505","0.0012","11.8657","0.0008","90","","110.362","0.004","90","","1974.7","0.2","100","2","100","2","","","","","","","","5","P 1 21/m 1","-P 2yb","11","","","","- C33 H38 Er N7 O16 -","- C33 H38 Er N7 O16 -","- C66 H76 Er2 N14 O32 -","2","0.5","","Fondo, Matilde; Corredoira-Vázquez, Julio; Herrera-Lanzós, Antia; Garcia-Deibe, Ana M.; Sanmartin Matalobos, Jesus; Herrera, Juan Manuel; Colacio, Enrique; Nuñez, Cristina","Improving the SMM and luminescent properties of lanthanide complexes with LnO9 cores in the presence of ZnII: an emissive Zn2Dy single ion magnet","Dalton Transactions","2017","","","","","10.1039/C7DT03438E","","","0.71073","MoKα","","0.1011","0.0789","","","0.1949","0.2152","","","","","","1.107","","","","has coordinates,has disorder","203321","2020-10-21","18:00:00",""
"7044795","22.6952","0.0007","17.2196","0.0005","10.1931","0.0002","90","","90","","90","","3983.49","0.19","100","2","100","2","","","","","","","","6","P n m a","-P 2ac 2n","62","","","","- C36 H40 Dy N7 O17 Zn2 -","- C36 H40 Dy N7 O17 Zn2 -","- C144 H160 Dy4 N28 O68 Zn8 -","4","0.5","","Fondo, Matilde; Corredoira-Vázquez, Julio; Herrera-Lanzós, Antia; Garcia-Deibe, Ana M.; Sanmartin Matalobos, Jesus; Herrera, Juan Manuel; Colacio, Enrique; Nuñez, Cristina","Improving the SMM and luminescent properties of lanthanide complexes with LnO9 cores in the presence of ZnII: an emissive Zn2Dy single ion magnet","Dalton Transactions","2017","","","","","10.1039/C7DT03438E","","","0.71073","MoKα","","0.0745","0.0429","","","0.0694","0.0799","","","","","","1.068","","","","has coordinates,has disorder","203321","2020-10-21","18:00:00",""
"7044796","9.9976","0.0012","17.7134","0.0019","11.8299","0.0014","90","","110.076","0.008","90","","1967.7","0.4","100","2","100","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C34 H39.5 Dy N7.5 O16 -","- C34 H39.5 Dy N7.5 O16 -","- C68 H79 Dy2 N15 O32 -","2","1","","Fondo, Matilde; Corredoira-Vázquez, Julio; Herrera-Lanzós, Antia; Garcia-Deibe, Ana M.; Sanmartin Matalobos, Jesus; Herrera, Juan Manuel; Colacio, Enrique; Nuñez, Cristina","Improving the SMM and luminescent properties of lanthanide complexes with LnO9 cores in the presence of ZnII: an emissive Zn2Dy single ion magnet","Dalton Transactions","2017","","","","","10.1039/C7DT03438E","","","0.71073","MoKα","","0.0528","0.0416","","","0.094","0.0997","","","","","","1.054","","","","has coordinates,has disorder","203321","2020-10-21","18:00:00",""
"7044797","8.6789","0.0002","23.1826","0.0005","14.3797","0.0003","90","","94.098","0.002","90","","2885.79","0.11","170","2","170","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C26 H47 N2 O3 P2 Rh -","- C26 H47 N2 O3 P2 Rh -","- C104 H188 N8 O12 P8 Rh4 -","4","1","","Gaviglio, Carina; Pellegrino, Juan; Milstein, David; Doctorovich, Fabio","NO• Disproportionation by a {RhNO}9 Pincer-Type Complex","Dalton Transactions","2017","","","","","10.1039/C7DT03944A","","x-ray","0.71073","MoKα","","0.0573","0.0337","","","0.0634","0.0738","","","","","","1.126","","","","has coordinates","203322","2020-10-21","18:00:00",""
"7044798","19.452","0.004","33.404","0.007","29.13","0.006","90","","92.77","0.02","90","","18906","7","200","2","200","2","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C177.5 H226 Cl3 Co6 Cr N36 O43.5 -","- C177.5 H226 Cl3 Co6 Cr N36 O43.5 -","- C710 H904 Cl12 Co24 Cr4 N144 O174 -","4","1","","Kakaroni, Foteini E.; Collet, Alexandra; Sakellari, Eirini; Tzimopoulos, Demetrios I.; Siczek, Milosz; Lis, Tadeusz; Murrie, Mark; Milios, Constantinos J.","Constructing Cr<sup>III</sup>-centered heterometallic complexes: [NiCr<sup>III</sup>] and [CoCr<sup>III</sup>] wheels.","Dalton transactions (Cambridge, England : 2003)","2017","47","1","58","61","10.1039/c7dt04043a","","","0.71073","MoKα","","0.1343","0.0685","","","0.1511","0.1824","","","","","","1.034","","","","has coordinates,has disorder","229383","2020-10-21","18:00:00",""
"7044799","19.425","0.004","33.388","0.005","28.956","0.006","90","","93.62","0.02","90","","18742","6","200","2","200","2","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C171.5 H212.5 Cl3 Cr N36 Ni6 O42.75 -","- C171.5 H206 Cl3 Cr N36 Ni6 O42.75 -","- C686 H824 Cl12 Cr4 N144 Ni24 O171 -","4","1","","Kakaroni, Foteini E.; Collet, Alexandra; Sakellari, Eirini; Tzimopoulos, Demetrios I.; Siczek, Milosz; Lis, Tadeusz; Murrie, Mark; Milios, Constantinos J.","Constructing Cr<sup>III</sup>-centered heterometallic complexes: [NiCr<sup>III</sup>] and [CoCr<sup>III</sup>] wheels.","Dalton transactions (Cambridge, England : 2003)","2017","47","1","58","61","10.1039/c7dt04043a","","","0.71073","MoKα","","0.1252","0.0662","","","0.1707","0.2077","","","","","","1.04","","","","has coordinates,has disorder","229383","2020-10-21","18:00:00",""
"7044800","17.0504","0.0014","17.0504","0.0014","22.4927","0.0019","90","","90","","90","","6539","0.9","200","2","200","2","","","","","","","","4","I 41/a c d","-I 4bd 2c","142","","","","- Bi11 Ca13.25 La0.75 Mn -","- Bi11 Ca13.248 La0.752 Mn -","- Bi88 Ca105.984 La6.016 Mn8 -","8","","","Ovchinnikov, Alexander; Prakash, Jai; Bobev, Svilen","Crystal chemistry and magnetic properties of the solid solutions Ca14−xRExMnBi11 (RE = La‒Nd, Sm, and Gd‒Ho; x ≈ 0.6‒0.8)","Dalton Transactions","2017","","","","","10.1039/C7DT03715E","","","0.71073","MoKα","","0.0437","0.0332","","","0.0727","0.0761","","","","","","1.071","","","","has coordinates","203325","2020-10-21","18:00:00",""
"7044801","17.0487","0.0007","17.0487","","22.5218","0.0009","90","","90","","90","","6546.1","0.4","200","2","200","2","","","","","","","","4","I 41/a c d","-I 4bd 2c","142","","","","- Bi11 Ca13.18 Ce0.82 Mn -","- Bi11 Ca13.176 Ce0.824 Mn -","- Bi88 Ca105.408 Ce6.592 Mn8 -","8","","","Ovchinnikov, Alexander; Prakash, Jai; Bobev, Svilen","Crystal chemistry and magnetic properties of the solid solutions Ca14−xRExMnBi11 (RE = La‒Nd, Sm, and Gd‒Ho; x ≈ 0.6‒0.8)","Dalton Transactions","2017","","","","","10.1039/C7DT03715E","","","0.71073","MoKα","","0.037","0.03","","","0.064","0.0654","","","","","","1.004","","","","has coordinates","203325","2020-10-21","18:00:00",""
"7044802","17.0288","0.0019","17.0288","0.0019","22.497","0.002","90","","90","","90","","6523.7","1.2","200","2","200","2","","","","","","","","4","I 41/a c d","-I 4bd 2c","142","","","","- Bi11 Ca13.34 Mn Pr0.66 -","- Bi11 Ca13.336 Mn Pr0.664 -","- Bi88 Ca106.688 Mn8 Pr5.312 -","8","","","Ovchinnikov, Alexander; Prakash, Jai; Bobev, Svilen","Crystal chemistry and magnetic properties of the solid solutions Ca14−xRExMnBi11 (RE = La‒Nd, Sm, and Gd‒Ho; x ≈ 0.6‒0.8)","Dalton Transactions","2017","","","","","10.1039/C7DT03715E","","","0.71073","MoKα","","0.0477","0.0367","","","0.0807","0.0856","","","","","","1.024","","","","has coordinates","203325","2020-10-21","18:00:00",""
"7044803","16.9984","0.0004","16.9984","0.0004","22.492","0.0006","90","","90","","90","","6499","0.3","200","2","200","2","","","","","","","","4","I 41/a c d","-I 4bd 2c","142","","","","- Bi11 Ca13.38 Gd0.62 Mn -","- Bi11 Ca13.372 Gd0.628 Mn -","- Bi88 Ca106.976 Gd5.024 Mn8 -","8","","","Ovchinnikov, Alexander; Prakash, Jai; Bobev, Svilen","Crystal chemistry and magnetic properties of the solid solutions Ca14−xRExMnBi11 (RE = La‒Nd, Sm, and Gd‒Ho; x ≈ 0.6‒0.8)","Dalton Transactions","2017","","","","","10.1039/C7DT03715E","","","0.71073","MoKα","","0.0463","0.037","","","0.0904","0.0952","","","","","","1.031","","","","has coordinates","203325","2020-10-21","18:00:00",""
"7044804","17.0213","0.0013","17.0213","0.0013","22.5111","0.0016","90","","90","","90","","6522","0.8","200","2","200","2","","","","","","","","4","I 41/a c d","-I 4bd 2c","142","","","","- Bi11 Ca13.38 Mn Sm0.62 -","- Bi11 Ca13.376 Mn Sm0.624 -","- Bi88 Ca107.008 Mn8 Sm4.992 -","8","","","Ovchinnikov, Alexander; Prakash, Jai; Bobev, Svilen","Crystal chemistry and magnetic properties of the solid solutions Ca14−xRExMnBi11 (RE = La‒Nd, Sm, and Gd‒Ho; x ≈ 0.6‒0.8)","Dalton Transactions","2017","","","","","10.1039/C7DT03715E","","","0.71073","MoKα","","0.0527","0.043","","","0.0989","0.1049","","","","","","1.062","","","","has coordinates","203325","2020-10-21","18:00:00",""
"7044805","17.0378","0.0011","17.0378","0.0011","22.54","0.0015","90","","90","","90","","6543.1","0.7","200","2","200","2","","","","","","","","4","I 41/a c d","-I 4bd 2c","142","","","","- Bi11 Ca13.36 Mn Nd0.64 -","- Bi11 Ca13.36 Mn Nd0.64 -","- Bi88 Ca106.88 Mn8 Nd5.12 -","8","","","Ovchinnikov, Alexander; Prakash, Jai; Bobev, Svilen","Crystal chemistry and magnetic properties of the solid solutions Ca14−xRExMnBi11 (RE = La‒Nd, Sm, and Gd‒Ho; x ≈ 0.6‒0.8)","Dalton Transactions","2017","","","","","10.1039/C7DT03715E","","","0.71073","MoKα","","0.0531","0.0407","","","0.0903","0.0963","","","","","","1.016","","","","has coordinates","203325","2020-10-21","18:00:00",""
"7044806","17.0353","0.0013","17.0353","0.0013","22.4637","0.0017","90","","90","","90","","6519","0.9","200","2","200","2","","","","","","","","4","I 41/a c d","-I 4bd 2c","142","","","","- Bi11 Ca13.82 Er0.17 Mn -","- Bi11 Ca13.83 Er0.17 Mn -","- Bi88 Ca110.64 Er1.36 Mn8 -","8","","","Ovchinnikov, Alexander; Prakash, Jai; Bobev, Svilen","Crystal chemistry and magnetic properties of the solid solutions Ca14−xRExMnBi11 (RE = La‒Nd, Sm, and Gd‒Ho; x ≈ 0.6‒0.8)","Dalton Transactions","2017","","","","","10.1039/C7DT03715E","","","0.71073","MoKα","","0.049","0.0388","","","0.0946","0.1014","","","","","","0.979","","","","has coordinates","203325","2020-10-21","18:00:00",""
"7044807","16.9971","0.0012","16.9971","0.0012","22.5175","0.0016","90","","90","","90","","6505.3","0.8","200","2","200","2","","","","","","","","4","I 41/a c d","-I 4bd 2c","142","","","","- Bi11 Ca13.31 Dy0.69 Mn -","- Bi11 Ca13.312 Dy0.688 Mn -","- Bi88 Ca106.496 Dy5.504 Mn8 -","8","","","Ovchinnikov, Alexander; Prakash, Jai; Bobev, Svilen","Crystal chemistry and magnetic properties of the solid solutions Ca14−xRExMnBi11 (RE = La‒Nd, Sm, and Gd‒Ho; x ≈ 0.6‒0.8)","Dalton Transactions","2017","","","","","10.1039/C7DT03715E","","","0.71073","MoKα","","0.0473","0.0342","","","0.0781","0.0829","","","","","","1.064","","","","has coordinates","203325","2020-10-21","18:00:00",""
"7044808","17.0029","0.0012","17.0029","0.0012","22.5146","0.0017","90","","90","","90","","6508.9","0.8","200","2","200","2","","","","","","","","4","I 41/a c d","-I 4bd 2c","142","","","","- Bi11 Ca13.36 Ho0.64 Mn -","- Bi11 Ca13.368 Ho0.632 Mn -","- Bi88 Ca106.944 Ho5.056 Mn8 -","8","","","Ovchinnikov, Alexander; Prakash, Jai; Bobev, Svilen","Crystal chemistry and magnetic properties of the solid solutions Ca14−xRExMnBi11 (RE = La‒Nd, Sm, and Gd‒Ho; x ≈ 0.6‒0.8)","Dalton Transactions","2017","","","","","10.1039/C7DT03715E","","","0.71073","MoKα","","0.0457","0.0328","","","0.0657","0.0694","","","","","","1.077","","","","has coordinates","203325","2020-10-21","18:00:00",""
"7044809","17.0087","0.0013","17.0087","0.0013","22.5276","0.0017","90","","90","","90","","6517.1","0.9","200","2","200","2","","","","","","","","4","I 41/a c d","-I 4bd 2c","142","","","","- Bi11 Ca13.3 Mn Tb0.7 -","- Bi11 Ca13.304 Mn Tb0.696 -","- Bi88 Ca106.432 Mn8 Tb5.568 -","8","","","Ovchinnikov, Alexander; Prakash, Jai; Bobev, Svilen","Crystal chemistry and magnetic properties of the solid solutions Ca14−xRExMnBi11 (RE = La‒Nd, Sm, and Gd‒Ho; x ≈ 0.6‒0.8)","Dalton Transactions","2017","","","","","10.1039/C7DT03715E","","","0.71073","MoKα","","0.0553","0.0446","","","0.0981","0.1035","","","","","","1.048","","","","has coordinates","203325","2020-10-21","18:00:00",""
"7044810","11.154","0.002","27.447","0.006","11.822","0.003","90","","118.042","0.006","90","","3194.3","1.2","293","2","293","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C34 H24 Br2 Cu N4 O6 -","- C34 H24 Br2 Cu N4 O6 -","- C136 H96 Br8 Cu4 N16 O24 -","4","0.5","","Yang, Xu-Feng; Liu, Min; Zhu, Hai-Bin; Hang, Cheng; Zhao, Yue","Syntheses, structures, and magnetic properties of two unique Cu(II)-based coordination polymers involving crystal-to-crystal structural transformation from 1D chain to 3D network","Dalton Transactions","2017","","","","","10.1039/C7DT03568C","","","0.71073","MoKα","","0.1253","0.0613","","","0.13","0.1527","","","","","","1.014","","","","has coordinates","203326","2020-10-21","18:00:00",""
"7044811","32.4787","0.0016","32.4787","0.0016","10.5745","0.0005","90","","90","","120","","9660.2","0.8","296","2","296","2","","","","","","","","6","R -3 :H","-R 3","148","","","","- C20 H18 Br Cu N3 O4 -","- C20 H18 Br Cu N3 O4 -","- C360 H324 Br18 Cu18 N54 O72 -","18","1","","Yang, Xu-Feng; Liu, Min; Zhu, Hai-Bin; Hang, Cheng; Zhao, Yue","Syntheses, structures, and magnetic properties of two unique Cu(II)-based coordination polymers involving crystal-to-crystal structural transformation from 1D chain to 3D network","Dalton Transactions","2017","","","","","10.1039/C7DT03568C","","","0.71073","MoKα","","0.1089","0.0642","","","0.1243","0.1402","","","","","","1.033","","","","has coordinates","203326","2020-10-21","18:00:00",""
"7044812","6.3792","0.0006","17.4652","0.0016","10.9374","0.0011","90","","95.857","0.002","90","","1212.2","0.2","296","2","296","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C24 H20 Co N6 O8 -","- C24 H20 Co N6 O8 -","- C48 H40 Co2 N12 O16 -","2","0.5","","Lin, Hongyan; Zhao, Jing; Song, Ge; Luan, Jian; Liu, Xiang-Xiang; Liu, Guocheng","High quality and high-performance adsorption of Congo red using as-grown MWCNT synthesis over Co-MOF as a catalyst precursor via CVD method","Dalton Transactions","2017","","","","","10.1039/C7DT03627B","","","0.71073","MoKα","","0.0607","0.0354","","","0.0813","0.0925","","","","","","1.014","","","","has coordinates","203403","2020-10-21","18:00:00",""
"7044813","26.4358","0.0015","26.7521","0.0016","21.9223","0.0013","90","","100.881","0.001","90","","15225","1.5","173","2","173","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C99.5 H129.5 Dy5 N67.5 Ni10 O44.5 -","- C80 H82 Dy5 N56 Ni10 O23 -","- C320 H328 Dy20 N224 Ni40 O92 -","4","0.5","","Dong, Hui-Ming; Zhang, Zhi-Chao; Li, Hai-Yan; Liu, Zhong-Yi; Yang, En-Cui; Zhao, Xiao-Jun","High-nuclear heterometallic oxime clusters assembled from triangular subunits: solvothermal syntheses, crystal structures and magnetic properties.","Dalton transactions (Cambridge, England : 2003)","2017","47","1","169","179","10.1039/c7dt03692b","","","0.71073","MoKα","","0.0411","0.0322","","","0.0839","0.0874","","","","","","1.094","","","","has coordinates,has disorder","229378","2020-10-21","18:00:00",""
"7044814","13.4776","0.0006","16.9719","0.0006","18.0802","0.0008","109.068","0.004","97.492","0.004","98.66","0.003","3792.2","0.3","293","2","293","2","","","","","","","","6","P -1","-P 1","2","","","","- C79 H114 Dy8 N54 Ni6 O51 -","- C72 H88 Dy8 N52 Ni6 O38 -","- C72 H88 Dy8 N52 Ni6 O38 -","1","0.5","","Dong, Hui-Ming; Zhang, Zhi-Chao; Li, Hai-Yan; Liu, Zhong-Yi; Yang, En-Cui; Zhao, Xiao-Jun","High-nuclear heterometallic oxime clusters assembled from triangular subunits: solvothermal syntheses, crystal structures and magnetic properties.","Dalton transactions (Cambridge, England : 2003)","2017","47","1","169","179","10.1039/c7dt03692b","","","1.54184","CuKα","","0.1718","0.1135","","","0.3423","0.3825","","","","","","1.062","","","","has coordinates","229378","2020-10-21","18:00:00",""
"7044815","34.983","0.0012","13.9322","0.0005","28.2518","0.001","90","","105.658","0.001","90","","13258.7","0.8","173","2","173","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C83 H106 Dy5 N61 Ni8 O44 -","- C78 H76 Dy5 N56 Ni8 O24 -","- C312 H304 Dy20 N224 Ni32 O96 -","4","0.5","","Dong, Hui-Ming; Zhang, Zhi-Chao; Li, Hai-Yan; Liu, Zhong-Yi; Yang, En-Cui; Zhao, Xiao-Jun","High-nuclear heterometallic oxime clusters assembled from triangular subunits: solvothermal syntheses, crystal structures and magnetic properties.","Dalton transactions (Cambridge, England : 2003)","2017","47","1","169","179","10.1039/c7dt03692b","","","0.71073","MoKα","","0.0359","0.0303","","","0.074","0.0763","","","","","","1.051","","","","has coordinates","229378","2020-10-21","18:00:00",""
"7044816","26.6001","0.0008","26.9114","0.0008","21.9768","0.0007","90","","100.779","0.001","90","","15454.4","0.8","173","2","173","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C86 H103 Gd5 N64 Ni10 O43 -","- C80 H82 Gd5 N56 Ni10 O23 -","- C320 H328 Gd20 N224 Ni40 O92 -","4","0.5","","Dong, Hui-Ming; Zhang, Zhi-Chao; Li, Hai-Yan; Liu, Zhong-Yi; Yang, En-Cui; Zhao, Xiao-Jun","High-nuclear heterometallic oxime clusters assembled from triangular subunits: solvothermal syntheses, crystal structures and magnetic properties.","Dalton transactions (Cambridge, England : 2003)","2017","47","1","169","179","10.1039/c7dt03692b","","","0.71073","MoKα","","0.0388","0.0334","","","0.094","0.0976","","","","","","1.088","","","","has coordinates,has disorder","229378","2020-10-21","18:00:00",""
"7044817","34.454","0.005","13.9258","0.0019","28.157","0.004","90","","105.218","0.002","90","","13036","3","173","2","173","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C92 H112 Gd5 N63 Ni8 O39 -","- C78 H76 Gd5 N56 Ni8 O24 -","- C312 H304 Gd20 N224 Ni32 O96 -","4","0.5","","Dong, Hui-Ming; Zhang, Zhi-Chao; Li, Hai-Yan; Liu, Zhong-Yi; Yang, En-Cui; Zhao, Xiao-Jun","High-nuclear heterometallic oxime clusters assembled from triangular subunits: solvothermal syntheses, crystal structures and magnetic properties.","Dalton transactions (Cambridge, England : 2003)","2017","47","1","169","179","10.1039/c7dt03692b","","","0.71073","MoKα","","0.0656","0.053","","","0.1261","0.1326","","","","","","1.071","","","","has coordinates","229378","2020-10-21","18:00:00",""
"7044818","13.693","0.002","17.018","0.002","18.075","0.003","108.147","0.002","97.822","0.003","99.02","0.003","3875.5","1","173","2","173","2","","","","","","","","6","P -1","-P 1","2","","","","- C96 H128 Gd8 N68 Ni6 O54 -","- C84 H100 Gd8 N60 Ni6 O38 -","- C84 H100 Gd8 N60 Ni6 O38 -","1","0.5","","Dong, Hui-Ming; Zhang, Zhi-Chao; Li, Hai-Yan; Liu, Zhong-Yi; Yang, En-Cui; Zhao, Xiao-Jun","High-nuclear heterometallic oxime clusters assembled from triangular subunits: solvothermal syntheses, crystal structures and magnetic properties.","Dalton transactions (Cambridge, England : 2003)","2017","47","1","169","179","10.1039/c7dt03692b","","","0.71073","MoKα","","0.1267","0.0724","","","0.1745","0.1973","","","","","","1.038","","","","has coordinates,has disorder","229378","2020-10-21","18:00:00",""
"7044819","14.2993","0.0015","12.7006","0.0013","15.8495","0.0015","90","","115.159","0.002","90","","2605.4","0.5","296","2","296","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C14 H12 Co Mo4 N6 O17 -","- C14 H12 Co Mo4 N6 O17 -","- C56 H48 Co4 Mo16 N24 O68 -","4","1","","Wang, Xiuli; Zhang, Shan; Wang, Xiang; Liu, Guo Cheng; Lin, Hongyan; Zhang, Huixiu","Various Polyoxomolybdate-based Hybrids Induced by pH and Solvents: Structures, Adsorption Activities for Dyes and Bifunctional Electrocatalytic Properties","Dalton Transactions","2017","","","","","10.1039/C7DT03618C","","","0.71073","MoKα","","0.0823","0.0415","","","0.0683","0.0791","","","","","","1.024","","","","has coordinates","203405","2020-10-21","18:00:00",""
"7044820","18.611","0.003","21.802","0.003","20.201","0.003","90","","116.279","0.003","90","","7349.6","1.9","296","2","296","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C42 H36 Co2 Mo8 N18 O42 -","- C42 H36 Co2 Mo8 N18 O42 -","- C168 H144 Co8 Mo32 N72 O168 -","4","1","","Wang, Xiuli; Zhang, Shan; Wang, Xiang; Liu, Guo Cheng; Lin, Hongyan; Zhang, Huixiu","Various Polyoxomolybdate-based Hybrids Induced by pH and Solvents: Structures, Adsorption Activities for Dyes and Bifunctional Electrocatalytic Properties","Dalton Transactions","2017","","","","","10.1039/C7DT03618C","","","0.71073","MoKα","","0.1102","0.0499","","","0.0935","0.1138","","","","","","1.005","","","","has coordinates","203405","2020-10-21","18:00:00",""
"7044821","18.1219","0.0011","17.2253","0.0011","27.7704","0.0016","90","","98.74","0.002","90","","8568","0.9","296","2","296","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C58 H36 Co2 Mo8 N22 O40 -","- C58 H36 Co2 Mo8 N22 O40 -","- C232 H144 Co8 Mo32 N88 O160 -","4","0.5","","Wang, Xiuli; Zhang, Shan; Wang, Xiang; Liu, Guo Cheng; Lin, Hongyan; Zhang, Huixiu","Various Polyoxomolybdate-based Hybrids Induced by pH and Solvents: Structures, Adsorption Activities for Dyes and Bifunctional Electrocatalytic Properties","Dalton Transactions","2017","","","","","10.1039/C7DT03618C","","","0.71073","MoKα","","0.0866","0.0454","","","0.0977","0.1127","","","","","","1.009","","","","has coordinates","203405","2020-10-21","18:00:00",""
"7044822","16.164","0.003","12.434","0.0019","24.85","0.004","90","","97.267","0.004","90","","4954.3","1.4","296","2","296","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C28 H24 Co2 Mo7 N12 O33 -","- C28 H24 Co2 Mo7 N12 O33 -","- C112 H96 Co8 Mo28 N48 O132 -","4","1","","Wang, Xiuli; Zhang, Shan; Wang, Xiang; Liu, Guo Cheng; Lin, Hongyan; Zhang, Huixiu","Various Polyoxomolybdate-based Hybrids Induced by pH and Solvents: Structures, Adsorption Activities for Dyes and Bifunctional Electrocatalytic Properties","Dalton Transactions","2017","","","","","10.1039/C7DT03618C","","","0.71073","MoKα","","0.1016","0.0474","","","0.0796","0.0963","","","","","","1.004","","","","has coordinates","203405","2020-10-21","18:00:00",""
"7044823","14.4478","0.0011","14.9363","0.0012","20.1881","0.0015","69.789","0.001","76.115","0.001","89.193","0.001","3957.5","0.5","190","1","190","1","","","","","","","","7","P -1","-P 1","2","","cluster-1","","- C87 H124 Br4 N8 O75.5 Sm8 Zn6 -","- C87 H124 Br4 N8 O75.5 Sm8 Zn6 -","- C87 H124 Br4 N8 O75.5 Sm8 Zn6 -","1","0.5","","Wang, Shiqing; Yang, Xiaoping; Zhu, Ting; Bo, Le; Wang, Ruihu; Huang, Shaoming; Wang, Chengri; Jiang, Dongmei; Chen, Hongfen; Jones, Richard A.","Construction of luminescent high-nuclearity Zn-Ln rectangular nanoclusters with flexible long-chain Schiff base ligands.","Dalton transactions (Cambridge, England : 2003)","2017","47","1","53","57","10.1039/c7dt02576a","","","0.71073","MoKα","","0.0779","0.0507","","","0.1538","0.2141","","","","","","1.074","","","","has coordinates","229393","2020-10-21","18:00:00",""
"7044824","14.087","0.005","14.64","0.005","14.997","0.005","62.231","0.003","87.122","0.004","64.738","0.004","2431.9","1.5","190","1","190","1","","","","","","","","6","P -1","-P 1","2","","cluster-3","","- C66 H102 N8 Nd4 O46 Zn4 -","- C66 H102 N8 Nd4 O46 Zn4 -","- C66 H102 N8 Nd4 O46 Zn4 -","1","0.5","","Wang, Shiqing; Yang, Xiaoping; Zhu, Ting; Bo, Le; Wang, Ruihu; Huang, Shaoming; Wang, Chengri; Jiang, Dongmei; Chen, Hongfen; Jones, Richard A.","Construction of luminescent high-nuclearity Zn-Ln rectangular nanoclusters with flexible long-chain Schiff base ligands.","Dalton transactions (Cambridge, England : 2003)","2017","47","1","53","57","10.1039/c7dt02576a","","","0.71073","MoKα","","0.0635","0.05","","","0.1466","0.1656","","","","","","1.061","","","","has coordinates","229393","2020-10-21","18:00:00",""
"7044825","14.485","0.0015","14.9498","0.0016","20.261","0.002","69.988","0.002","75.909","0.002","89.461","0.002","3985.3","0.7","190","1","190","1","","","","","","","","7","P -1","-P 1","2","","cluster-2","","- C88 H128 Br4 N8 Nd8 O77 Zn6 -","- C88 H128 Br4 N8 Nd8 O77 Zn6 -","- C88 H128 Br4 N8 Nd8 O77 Zn6 -","1","0.5","","Wang, Shiqing; Yang, Xiaoping; Zhu, Ting; Bo, Le; Wang, Ruihu; Huang, Shaoming; Wang, Chengri; Jiang, Dongmei; Chen, Hongfen; Jones, Richard A.","Construction of luminescent high-nuclearity Zn-Ln rectangular nanoclusters with flexible long-chain Schiff base ligands.","Dalton transactions (Cambridge, England : 2003)","2017","47","1","53","57","10.1039/c7dt02576a","","","0.71073","MoKα","","0.0743","0.0457","","","0.1297","0.1668","","","","","","1.026","","","","has coordinates","229393","2020-10-21","18:00:00",""
"7044826","9.4745","0.0019","16.609","0.003","18.798","0.004","90","","99.49","0.03","90","","2917.6","1","293","2","293","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C39 H27 B N2 O -","- C39 H27 B N2 O -","- C156 H108 B4 N8 O4 -","4","1","","Zhang, Zhenyu; Zhang, Zuolun; Zhang, Hongyu; Wang, Yue","2-(2-Hydroxyphenyl)imidazole-based four-coordinate organoboron compounds with efficient deep blue photoluminescence and electroluminescence.","Dalton transactions (Cambridge, England : 2003)","2017","47","1","127","134","10.1039/c7dt03702c","","","0.71073","MoKα","","0.1297","0.0658","","","0.1686","0.2146","","","","","","1.007","","","","has coordinates","229382","2020-10-21","18:00:00",""
"7044827","10.144","0.002","11.51","0.002","14.188","0.003","77.15","0.03","77.52","0.03","69.49","0.03","1495.3","0.6","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C39 H29 B N2 O -","- C39 H29 B N2 O -","- C78 H58 B2 N4 O2 -","2","1","","Zhang, Zhenyu; Zhang, Zuolun; Zhang, Hongyu; Wang, Yue","2-(2-Hydroxyphenyl)imidazole-based four-coordinate organoboron compounds with efficient deep blue photoluminescence and electroluminescence.","Dalton transactions (Cambridge, England : 2003)","2017","47","1","127","134","10.1039/c7dt03702c","","","0.71073","MoKα","","0.0756","0.0505","","","0.1233","0.1336","","","","","","1.053","","","","has coordinates","229382","2020-10-21","18:00:00",""
"7044830","47.294","0.005","15.6118","0.0017","22.614","0.003","90","","90","","90","","16697","3","296","2","296","2","","","","","","","","3","I m m 2","I 2 -2","44","","","","- Fe8 In32 S65 -","- Fe8 In32 S65 -","- Fe16 In64 S130 -","2","0.25","","Luo, Min; Yang, Huajun; Wang, Wei; Xue, Chaozhuang; Wu, Tao","A unique non-interpenetrated open-framework chalcogenide with a large cavity.","Dalton transactions (Cambridge, England : 2003)","2017","47","1","49","52","10.1039/c7dt03988c","","","0.71073","MoKα","","0.0856","0.0476","","","0.0817","0.0883","","","","","","1.049","","","","has coordinates","229381","2020-10-21","18:00:00",""
"7044831","18.174","0.003","13.861","0.002","25.67","0.004","90","","90","","90","","6466.5","1.7","100","2","100","2","","","","","","","","6","P b c a","-P 2ac 2ab","61","","","","- C33 H35 Cl4 O3 P Ru -","- C33 H35 Cl4 O3 P Ru -","- C264 H280 Cl32 O24 P8 Ru8 -","8","1","","Biancalana, Lorenzo; Zacchini, Stefano; Ferri, Nicola; Lupo, Maria Giovanna; Pampaloni, Guido; Marchetti, Fabio","Tuning the cytotoxicity of ruthenium(ii) para-cymene complexes by mono-substitution at a triphenylphosphine/phenoxydiphenylphosphine ligand","Dalton Transactions","2017","","","","","10.1039/C7DT03385K","","","0.71073","MoKα","","0.167","0.1402","","","0.2731","0.2888","","","","","","1.223","","","","has coordinates","203473","2020-10-21","18:00:00",""
"7044832","9.3525","0.0008","13.2672","0.0012","16.7694","0.0015","97.189","0.003","93.247","0.003","101.528","0.003","2015.6","0.3","100","2","100","2","","","","","","","","6","P -1","-P 1","2","","","","- C42 H57 O5 P Ru Si -","- C42 H57 O5 P Ru Si -","- C84 H114 O10 P2 Ru2 Si2 -","2","1","","Biancalana, Lorenzo; Zacchini, Stefano; Ferri, Nicola; Lupo, Maria Giovanna; Pampaloni, Guido; Marchetti, Fabio","Tuning the cytotoxicity of ruthenium(ii) para-cymene complexes by mono-substitution at a triphenylphosphine/phenoxydiphenylphosphine ligand","Dalton Transactions","2017","","","","","10.1039/C7DT03385K","","","0.71073","MoKα","","0.0574","0.0527","","","0.131","0.1345","","","","","","1.052","","","","has coordinates","203473","2020-10-21","18:00:00",""
"7044833","17.1191","0.0008","10.5238","0.0005","18.453","0.0009","90","","100.994","0.001","90","","3263.4","0.3","100","2","100","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C34 H43 Cl2 O P Ru Si -","- C34 H43 Cl2 O P Ru Si -","- C136 H172 Cl8 O4 P4 Ru4 Si4 -","4","1","","Biancalana, Lorenzo; Zacchini, Stefano; Ferri, Nicola; Lupo, Maria Giovanna; Pampaloni, Guido; Marchetti, Fabio","Tuning the cytotoxicity of ruthenium(ii) para-cymene complexes by mono-substitution at a triphenylphosphine/phenoxydiphenylphosphine ligand","Dalton Transactions","2017","","","","","10.1039/C7DT03385K","","","0.71073","MoKα","","0.0603","0.0473","","","0.0938","0.0984","","","","","","1.114","","","","has coordinates","203473","2020-10-21","18:00:00",""
"7044834","14.3504","0.0008","16.8861","0.0009","42.303","0.002","90","","90","","90","","10251","0.9","100","2","100","2","","","","","","","","6","P b c a","-P 2ac 2ab","61","","","","- C28 H29 Cl2 O P Ru -","- C28 H29 Cl2 O P Ru -","- C448 H464 Cl32 O16 P16 Ru16 -","16","2","","Biancalana, Lorenzo; Zacchini, Stefano; Ferri, Nicola; Lupo, Maria Giovanna; Pampaloni, Guido; Marchetti, Fabio","Tuning the cytotoxicity of ruthenium(ii) para-cymene complexes by mono-substitution at a triphenylphosphine/phenoxydiphenylphosphine ligand","Dalton Transactions","2017","","","","","10.1039/C7DT03385K","","","0.71073","MoKα","","0.1353","0.0956","","","0.164","0.1788","","","","","","1.172","","","","has coordinates","203473","2020-10-21","18:00:00",""
"7044835","9.845","0.002","11.647","0.002","13.057","0.003","96.65","0.03","106.37","0.03","101.39","0.03","1384.6","0.6","170","2","170","2","","","","","","","","3","P -1","-P 1","2","","","","- C33 H31 P3 -","- C33 H31 P3 -","- C66 H62 P6 -","2","1","","Kosnik, Stephanie C.; Nascimento, Maxemilian C.; Binder, Justin Frank; Macdonald, Charles L. B.","Accessing Multimetallic Complexes with a Phosphorus(I) Zwitterion","Dalton Transactions","2017","","","","","10.1039/C7DT03844E","","","0.71073","MoKα","","0.0406","0.0363","","","0.0931","0.0975","","","","","","1.054","","","","has coordinates","203515","2020-10-21","18:00:00",""
"7044836","12.0912","0.0004","20.0536","0.0006","37.1612","0.0011","90","","90","","90","","9010.6","0.5","170","2","170","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C45 H41 Mo2 O9 P3 -","- C45 H41 Mo2 O9 P3 -","- C360 H328 Mo16 O72 P24 -","8","1","","Kosnik, Stephanie C.; Nascimento, Maxemilian C.; Binder, Justin Frank; Macdonald, Charles L. B.","Accessing Multimetallic Complexes with a Phosphorus(I) Zwitterion","Dalton Transactions","2017","","","","","10.1039/C7DT03844E","","","0.71073","MoKα","","0.0448","0.0318","","","0.0687","0.0725","","","","","","1.059","","","","has coordinates,has disorder","203515","2020-10-21","18:00:00",""
"7044837","11.1044","0.0006","11.8694","0.0007","16.9388","0.001","105.48","0.002","93.283","0.002","99.354","0.002","2111.1","0.2","170","2","170","2","","","","","","","","5","P -1","-P 1","2","","","","- C43 H36 Mn2 O8.5 P3 -","- C43 H36 Mn2 O8.5 P3 -","- C86 H72 Mn4 O17 P6 -","2","1","","Kosnik, Stephanie C.; Nascimento, Maxemilian C.; Binder, Justin Frank; Macdonald, Charles L. B.","Accessing Multimetallic Complexes with a Phosphorus(I) Zwitterion","Dalton Transactions","2017","","","","","10.1039/C7DT03844E","","","0.71073","MoKα","","0.0807","0.0445","","","0.0997","0.1232","","","","","","1.095","","","","has coordinates,has disorder","203515","2020-10-21","18:00:00",""
"7044838","16.0868","0.0006","12.0933","0.0004","18.1738","0.0007","90","","99.759","0.001","90","","3484.4","0.2","170","2","170","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C37 H31 Fe O4 P3 -","- C37 H31 Fe O4 P3 -","- C148 H124 Fe4 O16 P12 -","4","1","","Kosnik, Stephanie C.; Nascimento, Maxemilian C.; Binder, Justin Frank; Macdonald, Charles L. B.","Accessing Multimetallic Complexes with a Phosphorus(I) Zwitterion","Dalton Transactions","2017","","","","","10.1039/C7DT03844E","","","0.71073","MoKα","","0.0877","0.044","","","0.0822","0.0939","","","","","","1.038","","","","has coordinates","203515","2020-10-21","18:00:00",""
"7044839","10.6793","0.0004","11.8419","0.0005","14.9909","0.0007","87.867","0.003","84.483","0.003","78.487","0.003","1848.73","0.14","170","2","170","2","","","","","","","","5","P -1","-P 1","2","","","","- C39 H31 Co2 O6 P3 -","- C39 H31 Co2 O6 P3 -","- C78 H62 Co4 O12 P6 -","2","1","","Kosnik, Stephanie C.; Nascimento, Maxemilian C.; Binder, Justin Frank; Macdonald, Charles L. B.","Accessing Multimetallic Complexes with a Phosphorus(I) Zwitterion","Dalton Transactions","2017","","","","","10.1039/C7DT03844E","","","1.54178","CuKα","","0.1194","0.0713","","","0.1102","0.1235","","","","","","1.172","","","","has coordinates","203515","2020-10-21","18:00:00",""
"7044840","11.2512","0.0008","11.7421","0.0007","15.0867","0.001","91.279","0.003","101.068","0.003","114.47","0.002","1768.8","0.2","170","2","170","2","","","","","","","","5","P -1","-P 1","2","","","","- C38 H31 Cr O5 P3 -","- C38 H31 Cr O5 P3 -","- C76 H62 Cr2 O10 P6 -","2","1","","Kosnik, Stephanie C.; Nascimento, Maxemilian C.; Binder, Justin Frank; Macdonald, Charles L. B.","Accessing Multimetallic Complexes with a Phosphorus(I) Zwitterion","Dalton Transactions","2017","","","","","10.1039/C7DT03844E","","","0.71073","MoKα","","0.0411","0.0299","","","0.0727","0.0786","","","","","","1.031","","","","has coordinates","203515","2020-10-21","18:00:00",""
"7044841","11.3621","0.0005","11.7938","0.0006","15.1337","0.0008","91.699","0.002","100.767","0.002","114.322","0.002","1802.51","0.16","170","2","170","2","","","","","","","","5","P -1","-P 1","2","","","","- C38 H31 Mo O5 P3 -","- C38 H31 Mo O5 P3 -","- C76 H62 Mo2 O10 P6 -","2","1","","Kosnik, Stephanie C.; Nascimento, Maxemilian C.; Binder, Justin Frank; Macdonald, Charles L. B.","Accessing Multimetallic Complexes with a Phosphorus(I) Zwitterion","Dalton Transactions","2017","","","","","10.1039/C7DT03844E","","","0.71073","MoKα","","0.0337","0.0266","","","0.0669","0.0711","","","","","","1.05","","","","has coordinates","203515","2020-10-21","18:00:00",""
"7044842","11.3304","0.0011","11.7799","0.0011","15.1089","0.0014","91.631","0.003","100.807","0.003","114.414","0.003","1791","0.3","170","2","170.19","","","","","","","","","5","P -1","-P 1","2","","","","- C38 H31 O5 P3 W -","- C38 H31 O5 P3 W -","- C76 H62 O10 P6 W2 -","2","1","","Kosnik, Stephanie C.; Nascimento, Maxemilian C.; Binder, Justin Frank; Macdonald, Charles L. B.","Accessing Multimetallic Complexes with a Phosphorus(I) Zwitterion","Dalton Transactions","2017","","","","","10.1039/C7DT03844E","","","0.71073","MoKα","","0.0478","0.0371","","","0.0898","0.0938","","","","","","1.134","","","","has coordinates","203515","2020-10-21","18:00:00",""
"7044843","8.1102","0.0013","14.443","0.002","13.425","0.002","90","","105.226","0.002","90","","1517.3","0.4","296","2","296","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C13 H11 N5 O5 V -","- C13 H11 N5 O5 V -","- C52 H44 N20 O20 V4 -","4","1","","Biswal, Debanjana; Pramanik, Nikhil Ranjan; Chakrabarti, Syamal; Drew, Michael G. B.; Acharya, Krishnendu; Chandra, Swarnendu","Syntheses, crystal structures, DFT calculations, protein interaction and anticancer activities of water soluble dipicolinic acid-imidazole based oxidovanadium(iv) complexes","Dalton Transactions","2017","","","","","10.1039/C7DT02903A","","","0.71073","MoKα","","0.0388","0.0308","","","0.073","0.0778","","","","","","1.054","","","","has coordinates","203516","2020-10-21","18:00:00",""
"7044844","22.8084","0.0016","7.7189","0.0005","23.1109","0.0019","90","","96.434","0.007","90","","4043.2","0.5","150","2","150","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C19 H19 N5 O5 V -","- C19 H19 N5 O5 V -","- C152 H152 N40 O40 V8 -","8","1","","Biswal, Debanjana; Pramanik, Nikhil Ranjan; Chakrabarti, Syamal; Drew, Michael G. B.; Acharya, Krishnendu; Chandra, Swarnendu","Syntheses, crystal structures, DFT calculations, protein interaction and anticancer activities of water soluble dipicolinic acid-imidazole based oxidovanadium(iv) complexes","Dalton Transactions","2017","","","","","10.1039/C7DT02903A","","","0.71073","MoKα","","0.0813","0.0529","","","0.1046","0.1159","","","","","","1.01","","","","has coordinates","203516","2020-10-21","18:00:00",""
"7044845","8.8853","0.001","11.7493","0.0009","16.917","0.0016","88.699","0.007","82.542","0.008","86.201","0.007","1747.1","0.3","150","2","150","2","","","","","","","","5","P -1","-P 1","2","","","","- C15 H15 N5 O5 V -","- C15 H15 N5 O5 V -","- C60 H60 N20 O20 V4 -","4","2","","Biswal, Debanjana; Pramanik, Nikhil Ranjan; Chakrabarti, Syamal; Drew, Michael G. B.; Acharya, Krishnendu; Chandra, Swarnendu","Syntheses, crystal structures, DFT calculations, protein interaction and anticancer activities of water soluble dipicolinic acid-imidazole based oxidovanadium(iv) complexes","Dalton Transactions","2017","","","","","10.1039/C7DT02903A","","","0.71073","MoKα","","0.1285","0.0841","","","0.1602","0.1852","","","","","","1.085","","","","has coordinates","203516","2020-10-21","18:00:00",""
"7044846","8.9222","0.0008","10.7694","0.001","22.723","0.003","82.923","0.01","82.048","0.01","78.025","0.008","2105.2","0.4","123","2","123","2","","","","","","","","5","P -1","-P 1","2","","","","- C49 H55 Ga N2 P2 -","- C49 H55 Ga N2 P2 -","- C98 H110 Ga2 N4 P4 -","2","1","","Sindlinger, Christian P.; Lawrence, Samuel R.; Acharya, Shravan; Ohlin, C. André; Stasch, Andreas","PNacPNacE: (E = Ga, In, Tl) - monomeric group 13 metal(I) heterocycles stabilized by a sterically demanding bis(iminophosphoranyl)methanide","Dalton Transactions","2017","","","","","10.1039/C7DT04048B","","","0.71073","MoKα","","0.0964","0.073","","","0.2043","0.2241","","","","","","1.032","","","","has coordinates","203517","2020-10-21","18:00:00",""
"7044847","9.477","0.0019","10.759","0.002","23.466","0.005","89.37","0.03","88.94","0.03","70.95","0.03","2261.2","0.9","100","2","100","2","","","","","","","","6","P -1","-P 1","2","","","","- C49 H55 Ga I2 N2 P2 -","- C49 H55 Ga I2 N2 P2 -","- C98 H110 Ga2 I4 N4 P4 -","2","1","","Sindlinger, Christian P.; Lawrence, Samuel R.; Acharya, Shravan; Ohlin, C. André; Stasch, Andreas","PNacPNacE: (E = Ga, In, Tl) - monomeric group 13 metal(I) heterocycles stabilized by a sterically demanding bis(iminophosphoranyl)methanide","Dalton Transactions","2017","","","","","10.1039/C7DT04048B","","","0.7107","synchrotron","","0.065","0.0618","","","0.148","0.1496","","","","","","1.089","","","","has coordinates","203517","2020-10-21","18:00:00",""
"7044848","13.367","0.003","19.711","0.004","16.535","0.003","90","","107.83","0.03","90","","4147.3","1.6","100","2","100","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C49 H55 N2 P2 Tl -","- C49 H55 N2 P2 Tl -","- C196 H220 N8 P8 Tl4 -","4","1","","Sindlinger, Christian P.; Lawrence, Samuel R.; Acharya, Shravan; Ohlin, C. André; Stasch, Andreas","PNacPNacE: (E = Ga, In, Tl) - monomeric group 13 metal(I) heterocycles stabilized by a sterically demanding bis(iminophosphoranyl)methanide","Dalton Transactions","2017","","","","","10.1039/C7DT04048B","","","0.7107","synchrotron","","0.0292","0.0283","","","0.0798","0.0805","","","","","","1.047","","","","has coordinates","203517","2020-10-21","18:00:00",""
"7044849","13.3207","0.0007","19.7596","0.0011","16.5158","0.0011","90","","107.704","0.006","90","","4141.3","0.4","123","2","123","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C49 H55 In N2 P2 -","- C49 H55 In N2 P2 -","- C196 H220 In4 N8 P8 -","4","1","","Sindlinger, Christian P.; Lawrence, Samuel R.; Acharya, Shravan; Ohlin, C. André; Stasch, Andreas","PNacPNacE: (E = Ga, In, Tl) - monomeric group 13 metal(I) heterocycles stabilized by a sterically demanding bis(iminophosphoranyl)methanide","Dalton Transactions","2017","","","","","10.1039/C7DT04048B","","","0.71073","MoKα","","0.0417","0.0319","","","0.076","0.0816","","","","","","1.052","","","","has coordinates","203517","2020-10-21","18:00:00",""
"7044856","18.3953","0.0007","45.6912","0.0018","40.7908","0.0016","90","","99.212","0.002","90","","33843","2","100","2","100.15","","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C237 H350 Cl6 Mn20 N18 O56 -","- C237 H343 Cl6 Mn20 N18 O56 -","- C948 H1372 Cl24 Mn80 N72 O224 -","4","0.5","","Coletta, Marco; Sanz, Sergio; McCormick, Laura J.; Teat, Simon J.; Brechin, Euan K.; Dalgarno, Scott J.","The remarkable influence of N,O-ligands in the assembly of a bis-calix[4]arene-supported [MnMnMn] cluster.","Dalton transactions (Cambridge, England : 2003)","2017","","","","","10.1039/c7dt04233g","","","0.7749","Synchrotron","","0.1049","0.0822","","","0.2031","0.2219","","","","","","1.025","","","","has coordinates,has disorder","203579","2020-10-21","18:00:00",""
"7044860","17.588","0.002","17.588","0.002","47.567","0.012","90","","90","","90","","14714","4","293","2","293","2","","","","","","","","8","I 41/a c d","-I 4bd 2c","142","","","","- C12 H12 Cu8 N18 Nb3 O56.5 P W9 -","- C12 H12 Cu8 N18 Nb3 O56.5 P W9 -","- C96 H96 Cu64 N144 Nb24 O452 P8 W72 -","8","","","Weng, Zhewei; Ren, Yuanhang; Gu, Min; Yue, Bin; He, Heyong","Two mixed-addenda Nb/W polyoxometalates-based hybrid compounds containing multicopper units: synthesis, structures, electrochemical and magnetic properties","Dalton Transactions","2017","","","","","10.1039/C7DT03968A","","","0.71073","MoKα","","0.0752","0.0521","","","0.1225","0.1363","","","","","","1.094","","","","has coordinates","203581","2020-10-21","18:00:00",""
"7044861","17.5009","0.0008","17.5009","0.0008","47.384","0.004","90","","90","","90","","14512.8","1.5","293","2","293","2","","","","","","","","8","I 41/a c d","-I 4bd 2c","142","","","","- C12.8 H14.4 Cu6.4 N19.2 Nb2.4 O41.6 P0.8 W7.2 -","- C12.8 H14.4 Cu6.4 N19.2 Nb2.4 O41.6 P0.8 W7.2 -","- C128 H144 Cu64 N192 Nb24 O416 P8 W72 -","10","","","Weng, Zhewei; Ren, Yuanhang; Gu, Min; Yue, Bin; He, Heyong","Two mixed-addenda Nb/W polyoxometalates-based hybrid compounds containing multicopper units: synthesis, structures, electrochemical and magnetic properties","Dalton Transactions","2017","","","","","10.1039/C7DT03968A","","","0.71073","MoKα","","0.0872","0.0668","","","0.1634","0.1706","","","","","","1.089","","","","has coordinates,has disorder","203581","2020-10-21","18:00:00",""
"7044862","9.78531","0.0001","8.65801","0.00011","20.60799","0.0002","90","","102.844","0.001","90","","1702.25","0.03","111","1","111","1","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C11 H9 Fe2 N O8 Se2 -","- C11 H9 Fe2 N O8 Se2 -","- C44 H36 Fe8 N4 O32 Se8 -","4","1","","Kertess, L.; Wittkamp, F.; Sommer, C.; Esselborn, J.; Rüdiger, O.; Reijerse, E. J.; Hofmann, E.; Lubitz, W.; Winkler, M.; Happe, T.; Apfel, U.-P.","Chalcogenide substitution in the [2Fe] cluster of [FeFe]-hydrogenases conserves high enzymatic activity","Dalton Transactions","2017","","","","","10.1039/C7DT03785F","","x-ray","1.54184","CuKα","","0.0181","0.0171","","","0.042","0.0424","","","","","","1.048","","","","has coordinates","203656","2020-10-21","18:00:00",""
"7044863","7.8537","0.0002","9.3351","0.0002","14.4434","0.0004","100.188","0.002","100.216","0.002","100.918","0.002","998.7","0.05","114","4","114","4","","","","","","","","6","P -1","-P 1","2","","","","- C16 H11 Fe2 N O8 Se2 -","- C16 H11 Fe2 N O8 Se2 -","- C32 H22 Fe4 N2 O16 Se4 -","2","1","","Kertess, L.; Wittkamp, F.; Sommer, C.; Esselborn, J.; Rüdiger, O.; Reijerse, E. J.; Hofmann, E.; Lubitz, W.; Winkler, M.; Happe, T.; Apfel, U.-P.","Chalcogenide substitution in the [2Fe] cluster of [FeFe]-hydrogenases conserves high enzymatic activity","Dalton Transactions","2017","","","","","10.1039/C7DT03785F","","x-ray","1.54184","CuKα","","0.0245","0.0233","","","0.0609","0.0614","","","","","","1.034","","","","has coordinates","203656","2020-10-21","18:00:00",""
"7044870","14.7007","0.0018","17.547","0.002","8.3565","0.0009","90","","105.283","0.004","90","","2079.4","0.4","150","","150","","","","","","","","synthesis as described","6","P 1 21/c 1","-P 2ybc","14","","","","- C22 H23 Cl N2 O4 Pt -","- C22 H23 Cl N2 O4 Pt -","- C88 H92 Cl4 N8 O16 Pt4 -","4","1","","Garoni, Eleonora; Boixel, Julien; Dorcet, Vincent; Roisnel, Thierry; Roberto, Dominique; Jacquemin, Denis; Guerchais, Véronique","Controlling the emission in flexibly-linked (N^C^N)platinum dyads.","Dalton transactions (Cambridge, England : 2003)","2017","47","1","224","232","10.1039/c7dt03695g","","x-ray","0.71073","MoKα","","0.0643","0.0537","","","0.1687","0.1833","","","","","","1.054","","","","has coordinates,has disorder","229379","2020-10-21","18:00:00",""
"7044876","10.0918","0.0005","19.4765","0.0011","20.9089","0.0012","90","","92.711","0.002","90","","4105.1","0.4","90","2","90","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C45 H46 B N7 Ni O4 -","- C45 H46 B N7 Ni O4 -","- C180 H184 B4 N28 Ni4 O16 -","4","1","","Hoof, S.; Sallmann, M.; Herwig, C.; Braun-Cula, B.; Limberg, C.","O2 activation at a trispyrazolylborato nickel(ii) malonato complex","Dalton Transactions","2017","","","","","10.1039/C7DT04056C","","","0.71073","MoKα","","0.0595","0.0382","","","0.1137","0.1303","","","","","","0.983","","","","has coordinates","203662","2020-10-21","18:00:00",""
"7044877","8.5167","0.0003","14.3456","0.0003","18.3576","0.0005","90","","91.856","0.002","90","","2241.7","0.11","100","2","100","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C19 H28 B N7 Ni O2 -","- C19 H28 B N7 Ni O2 -","- C76 H112 B4 N28 Ni4 O8 -","4","1","","Hoof, S.; Sallmann, M.; Herwig, C.; Braun-Cula, B.; Limberg, C.","O2 activation at a trispyrazolylborato nickel(ii) malonato complex","Dalton Transactions","2017","","","","","10.1039/C7DT04056C","","","0.71073","MoKα","","0.0316","0.0248","","","0.0639","0.0657","","","","","","1.034","","","","has coordinates","203662","2020-10-21","18:00:00",""
"7044881","11.7545","0.0002","15.1242","0.0002","16.9226","0.0003","90","","106.402","0.002","90","","2886.02","0.09","100","2","100","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C21 H30 F6 Ir N5 O7 S2 -","- C21 H30 F6 Ir N5 O7 S2 -","- C84 H120 F24 Ir4 N20 O28 S8 -","4","1","","Vivancos, Ángela; Petronilho, Ana; Cardoso, Joao; Müller-Bunz, Helge; Albrecht, Martin","Unveiling the role of ancillary ligands in acceptorless benzyl alcohol dehydrogenation and etherification mediated by mesoionic carbene iridium complexes.","Dalton transactions (Cambridge, England : 2003)","2017","47","1","74","82","10.1039/c7dt04109h","","","0.71073","MoKα","","0.0274","0.022","","","0.0438","0.0457","","","","","","1.038","","","","has coordinates,has disorder","229388","2020-10-21","18:00:00",""
"7044882","11.5139","0.0001","12.1655","0.0001","12.3732","0.0001","82.8016","0.0007","85.3357","0.0007","68.0905","0.0008","1594.17","0.02","100","2","100","2","","","","","","","","7","P -1","-P 1","2","","","","- C27 H32 F6 Ir N5 O6 S2 -","- C27 H32 F6 Ir N5 O6 S2 -","- C54 H64 F12 Ir2 N10 O12 S4 -","2","1","","Vivancos, Ángela; Petronilho, Ana; Cardoso, Joao; Müller-Bunz, Helge; Albrecht, Martin","Unveiling the role of ancillary ligands in acceptorless benzyl alcohol dehydrogenation and etherification mediated by mesoionic carbene iridium complexes.","Dalton transactions (Cambridge, England : 2003)","2017","47","1","74","82","10.1039/c7dt04109h","","","0.71073","MoKα","","0.0351","0.0296","","","0.0792","0.0811","","","","","","1.025","","","","has coordinates,has disorder","229388","2020-10-21","18:00:00",""
"7044885","7.7586","0.0008","29.766","0.003","9.2778","0.0008","90","","96.393","0.004","90","","2129.3","0.4","130","2","130","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C14 H39 B Cl N4 P Zn -","- C14 H39 B Cl N4 P Zn -","- C56 H156 B4 Cl4 N16 P4 Zn4 -","4","1","","Blum, M.; Kappler, J.; Schlindwein, S. H.; Nieger, M.; Gudat, D.","Synthesis, spectroscopic characterisation and transmetalation of lithium and potassium diaminophosphanide-boranes.","Dalton transactions (Cambridge, England : 2003)","2017","47","1","112","119","10.1039/c7dt04110a","","","0.71073","MoKα","","0.0778","0.0423","","","0.0813","0.0913","","","","","","1.002","","","","has coordinates","229390","2020-10-21","18:00:00",""
"7044886","12.4854","0.0009","16.7096","0.0012","20.7813","0.0017","90","","90.058","0.007","90","","4335.5","0.6","130","2","130","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C39 H69 B Cu N4 O P -","- C39 H69 B Cu N4 O P -","- C156 H276 B4 Cu4 N16 O4 P4 -","4","1","","Blum, M.; Kappler, J.; Schlindwein, S. H.; Nieger, M.; Gudat, D.","Synthesis, spectroscopic characterisation and transmetalation of lithium and potassium diaminophosphanide-boranes.","Dalton transactions (Cambridge, England : 2003)","2017","47","1","112","119","10.1039/c7dt04110a","","","0.71073","MoKα","","0.0812","0.0423","","","0.0877","0.1014","","","","","","1.008","","","","has coordinates,has disorder","229390","2020-10-21","18:00:00",""
"7044896","8.7435","0.0004","8.7435","0.0004","69.045","0.003","90","","90","","120","","4571.2","0.4","100","2","100","","","","","","","","","4","P 65","P 65","170","","","","- C33 H43 N3 O3 -","- C33 H43 N3 O3 -","- C198 H258 N18 O18 -","6","1","","Pirovano, Paolo; Berry, Abigail R.; Swart, Marcel; McDonald, Aidan R.","Indirect evidence for a Ni<sup>III</sup>-oxyl oxidant in the reaction of a Ni<sup>II</sup> complex with peracid.","Dalton transactions (Cambridge, England : 2003)","2017","47","1","246","250","10.1039/c7dt03316h","","x-ray","1.54178","CuKα","","0.0653","0.0577","","","0.1461","0.1516","","","","","","1.031","","","","has coordinates,has disorder","229389","2020-10-21","18:00:00",""
"7044897","20.7514","0.0007","21.5643","0.0008","16.1479","0.0006","90","","110.899","0.001","90","","6750.6","0.4","100","2","100","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C70 H90 N8 Ni2 O5 -","- C70 H90 N8 Ni2 O5 -","- C280 H360 N32 Ni8 O20 -","4","1","","Pirovano, Paolo; Berry, Abigail R.; Swart, Marcel; McDonald, Aidan R.","Indirect evidence for a Ni<sup>III</sup>-oxyl oxidant in the reaction of a Ni<sup>II</sup> complex with peracid.","Dalton transactions (Cambridge, England : 2003)","2017","47","1","246","250","10.1039/c7dt03316h","","","0.71073","MoKα","","0.0658","0.0402","","","0.0918","0.1019","","","","","","1.02","","","","has coordinates,has disorder","229389","2020-10-21","18:00:00",""
"7044898","11.2143","0.0004","13.9431","0.0005","16.15","0.0006","110.662","0.001","91.411","0.001","106.754","0.001","2239.91","0.14","100","2","100","2","","","","","","","","6","P -1","-P 1","2","","","","- C48 H64 Cl N5 Ni O4 -","- C48 H64 Cl N5 Ni O4 -","- C96 H128 Cl2 N10 Ni2 O8 -","2","1","","Pirovano, Paolo; Berry, Abigail R.; Swart, Marcel; McDonald, Aidan R.","Indirect evidence for a Ni<sup>III</sup>-oxyl oxidant in the reaction of a Ni<sup>II</sup> complex with peracid.","Dalton transactions (Cambridge, England : 2003)","2017","47","1","246","250","10.1039/c7dt03316h","","","0.71073","MoKα","","0.0505","0.037","","","0.0881","0.0954","","","","","","1.025","","","","has coordinates","229389","2020-10-21","18:00:00",""
"7044940","12.5808","0.0003","12.5808","0.0003","12.9625","0.0003","90","","90","","90","","2051.66","0.08","147","2","147","2","","","","","","","","5","P 42/n c m","-P 4ac 2ac","138","","","","- C14 H8 In N2 O8 -","- C14 H8 In N2 O8 -","- C56 H32 In4 N8 O32 -","4","","","Atallah, Hala; mahmoud, Mahmoud; Jelle, Abdinoor; Lough, Alan; Hmadeh, Mohamad","Highly Stable Indium Based Metal Organic Framework for Efficient Arsenic Removal from Water","Dalton Transactions","2017","","","","","10.1039/C7DT03705H","","","1.54178","CuKα","","0.0685","0.0477","","","0.1186","0.132","","","","","","1.157","","","","has coordinates,has disorder","203961","2020-10-21","18:00:00",""
"7044973","15.1961","0.0018","15.1961","0.0018","23.961","0.003","90","","90","","120","","4791.8","1","100","2","100","2","","","","","","","","5","R -3 :H","-R 3","148","","","","- C30 H30 Er O9 S3 -","- C30 H30 Er O9 S3 -","- C180 H180 Er6 O54 S18 -","6","0.333333","","Quah, Hong Sheng; Ng, Li Ting; Vittal, Jagadese J.","The role of structure and the metal ion in the fluorescence sensing of nitro compounds for a series of lanthanide(iii) 9,10-anthracene dicarboxylate coordination polymers.","Dalton transactions (Cambridge, England : 2003)","2017","47","1","264","268","10.1039/c7dt04128d","","","0.71073","MoKα","","0.0532","0.0445","","","0.1182","0.1254","","","","","","1.12","","","","has coordinates","229392","2020-10-21","18:00:00",""
"7044974","15.229","0.002","15.229","0.002","23.906","0.004","90","","90","","120","","4801.5","1.2","100","2","100","2","","","","","","","","5","R -3 :H","-R 3","148","","","","- C30 H30 Ho O9 S3 -","- C30 H30 Ho O9 S3 -","- C180 H180 Ho6 O54 S18 -","6","0.333333","","Quah, Hong Sheng; Ng, Li Ting; Vittal, Jagadese J.","The role of structure and the metal ion in the fluorescence sensing of nitro compounds for a series of lanthanide(iii) 9,10-anthracene dicarboxylate coordination polymers.","Dalton transactions (Cambridge, England : 2003)","2017","47","1","264","268","10.1039/c7dt04128d","","","0.71073","MoKα","","0.0604","0.0487","","","0.1347","0.1423","","","","","","1.115","","","","has coordinates","229392","2020-10-21","18:00:00",""
"7045009","30.3699","0.0012","23.019","0.0009","31.7092","0.0012","90","","118.378","0.002","90","","19503.6","1.4","100","2","100","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C228.5 H271 P4 Pd2 Sn4 -","- C228.5 H271 P4 Pd2 Sn4 -","- C914 H1084 P16 Pd8 Sn16 -","4","1","","Krebs, K. M.; Freitag, S.; Maudrich, J.-J.; Schubert, H.; Sirsch, P.; Wesemann, L.","Coordination chemistry of stannylene-based Lewis pairs - insertion into M-Cl and M-C bonds. From base stabilized stannylenes to bidentate ligands.","Dalton transactions (Cambridge, England : 2003)","2017","47","1","83","95","10.1039/c7dt04044j","","","0.71073","MoKα","","0.0721","0.0488","","","0.0977","0.1157","","","","","","1.087","","","","has coordinates","229380","2020-10-21","18:00:00",""
"7045010","28.0389","0.0011","17.6143","0.0007","23.7299","0.001","90","","113.241","0.001","90","","10768.8","0.8","100","2","100","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C127 H151 P2 Pt Sn2 -","- C127 H151 P2 Pt Sn2 -","- C508 H604 P8 Pt4 Sn8 -","4","1","","Krebs, K. M.; Freitag, S.; Maudrich, J.-J.; Schubert, H.; Sirsch, P.; Wesemann, L.","Coordination chemistry of stannylene-based Lewis pairs - insertion into M-Cl and M-C bonds. From base stabilized stannylenes to bidentate ligands.","Dalton transactions (Cambridge, England : 2003)","2017","47","1","83","95","10.1039/c7dt04044j","","","0.71073","MoKα","","0.0843","0.0436","","","0.0609","0.0699","","","","","","1.035","","","","has coordinates","229380","2020-10-21","18:00:00",""
"7045011","11.8542","0.0003","29.1032","0.0007","13.0527","0.0003","90","","96.122","0.001","90","","4477.44","0.19","100","2","100","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C54 H63 P Pd Sn -","- C54 H63 P Pd Sn -","- C216 H252 P4 Pd4 Sn4 -","4","1","","Krebs, K. M.; Freitag, S.; Maudrich, J.-J.; Schubert, H.; Sirsch, P.; Wesemann, L.","Coordination chemistry of stannylene-based Lewis pairs - insertion into M-Cl and M-C bonds. From base stabilized stannylenes to bidentate ligands.","Dalton transactions (Cambridge, England : 2003)","2017","47","1","83","95","10.1039/c7dt04044j","","","0.71073","MoKα","","0.0469","0.0292","","","0.0574","0.0625","","","","","","1.043","","","","has coordinates","229380","2020-10-21","18:00:00",""
"7045012","13.1474","0.0002","16.9062","0.0003","24.3248","0.0004","90","","103.307","0.001","90","","5261.57","0.15","100","2","100","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C58.63 H74.13 Cl P Rh Sn -","- C59 H75 Cl P Rh Sn -","- C236 H300 Cl4 P4 Rh4 Sn4 -","4","1","","Krebs, K. M.; Freitag, S.; Maudrich, J.-J.; Schubert, H.; Sirsch, P.; Wesemann, L.","Coordination chemistry of stannylene-based Lewis pairs - insertion into M-Cl and M-C bonds. From base stabilized stannylenes to bidentate ligands.","Dalton transactions (Cambridge, England : 2003)","2017","47","1","83","95","10.1039/c7dt04044j","","","0.71073","MoKα","","0.035","0.0282","","","0.0632","0.0664","","","","","","1.047","","","","has coordinates,has disorder","229380","2020-10-21","18:00:00",""
"7045013","10.7739","0.0003","21.1752","0.0007","21.97","0.0007","102.27","0.002","95.204","0.002","95.573","0.002","4842.5","0.3","100","2","100","2","","","","","","","","6","P -1","-P 1","2","","","","- C54 H75 Cl P Rh Sn -","- C54 H75 Cl P Rh Sn -","- C216 H300 Cl4 P4 Rh4 Sn4 -","4","2","","Krebs, K. M.; Freitag, S.; Maudrich, J.-J.; Schubert, H.; Sirsch, P.; Wesemann, L.","Coordination chemistry of stannylene-based Lewis pairs - insertion into M-Cl and M-C bonds. From base stabilized stannylenes to bidentate ligands.","Dalton transactions (Cambridge, England : 2003)","2017","47","1","83","95","10.1039/c7dt04044j","","","0.71073","MoKα","","0.059","0.0323","","","0.0665","0.074","","","","","","0.989","","","","has coordinates","229380","2020-10-21","18:00:00",""
"7045014","14.6015","0.0003","24.6948","0.0006","17.6646","0.0004","90","","110.067","0.001","90","","5982.8","0.2","100","2","100","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C66 H96.68 Cl Ir O P Sn -","- C66 H96.677 Cl Ir O P Sn -","- C264 H386.708 Cl4 Ir4 O4 P4 Sn4 -","4","1","","Krebs, K. M.; Freitag, S.; Maudrich, J.-J.; Schubert, H.; Sirsch, P.; Wesemann, L.","Coordination chemistry of stannylene-based Lewis pairs - insertion into M-Cl and M-C bonds. From base stabilized stannylenes to bidentate ligands.","Dalton transactions (Cambridge, England : 2003)","2017","47","1","83","95","10.1039/c7dt04044j","","","0.71073","MoKα","","0.0517","0.0318","","","0.0638","0.071","","","","","","1.038","","","","has coordinates,has disorder","229380","2020-10-21","18:00:00",""
"7045015","15.7017","0.0004","15.4093","0.0004","22.9954","0.0005","90","","108.607","0.001","90","","5273","0.2","100","2","100","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C62 H75 Cl Ir P Sn -","- C62 H75 Cl Ir P Sn -","- C248 H300 Cl4 Ir4 P4 Sn4 -","4","1","","Krebs, K. M.; Freitag, S.; Maudrich, J.-J.; Schubert, H.; Sirsch, P.; Wesemann, L.","Coordination chemistry of stannylene-based Lewis pairs - insertion into M-Cl and M-C bonds. From base stabilized stannylenes to bidentate ligands.","Dalton transactions (Cambridge, England : 2003)","2017","47","1","83","95","10.1039/c7dt04044j","","","0.71073","MoKα","","0.0315","0.026","","","0.0577","0.06","","","","","","1.074","","","","has coordinates","229380","2020-10-21","18:00:00",""
"7045016","16.4035","0.0016","19.1262","0.0019","21.0975","0.0019","115.474","0.005","95.227","0.005","94.065","0.005","5905.9","1","100","2","100","2","","","","","","","","6","P -1","-P 1","2","","","","- C126 H168 Au2 Cl2 P2 Sn2 -","- C126 H168 Au2 Cl2 P2 Sn2 -","- C252 H336 Au4 Cl4 P4 Sn4 -","2","1","","Krebs, K. M.; Freitag, S.; Maudrich, J.-J.; Schubert, H.; Sirsch, P.; Wesemann, L.","Coordination chemistry of stannylene-based Lewis pairs - insertion into M-Cl and M-C bonds. From base stabilized stannylenes to bidentate ligands.","Dalton transactions (Cambridge, England : 2003)","2017","47","1","83","95","10.1039/c7dt04044j","","","0.71073","MoKα","","0.0629","0.0388","","","0.0746","0.0809","","","","","","1.021","","","","has coordinates,has disorder","229380","2020-10-21","18:00:00",""
"7045018","10.447","0.003","15.753","0.004","21.429","0.004","90","","101.33","0.02","90","","3457.9","1.5","100","1","100","1","","","","","","","","7","P 1 n 1","P -2yac","7","","","","- C72 H88 Cl Li2 Mn O12 Si4 -","- C72 H88 Cl Li2 Mn O12 Si4 -","- C144 H176 Cl2 Li4 Mn2 O24 Si8 -","2","1","","Lorenz, Volker; Ehle, Sophie; Liebing, Phil; Engelhardt, Felix; Hashemi-Haeri, Haleh; Oehler, Florian; Hinderberger, Dariush; Busse, Sabine; Urbaschok, Jens; Edelmann, Frank T.","High-yield synthesis of a unique Mn(iii) siloxide complex through KMnO<sub>4</sub> oxidation of a Mn(ii) precursor.","Dalton transactions (Cambridge, England : 2003)","2017","47","1","62","66","10.1039/c7dt03500d","","","0.71073","MoKα","","0.0712","0.0658","","","0.129","0.1314","","","","","","1.24","","","","has coordinates,has disorder","229386","2020-10-21","18:00:00",""
"7045019","13.5878","0.0003","42.7842","0.0012","13.6537","0.0003","90","","98.723","0.002","90","","7845.7","0.3","153","2","153","2","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C76 H96 Cl2 Li4 Mn O13 Si4 -","- C75.996 H95.992 Cl2 Li4 Mn O12.999 Si4 -","- C303.984 H383.968 Cl8 Li16 Mn4 O51.996 Si16 -","4","1","","Lorenz, Volker; Ehle, Sophie; Liebing, Phil; Engelhardt, Felix; Hashemi-Haeri, Haleh; Oehler, Florian; Hinderberger, Dariush; Busse, Sabine; Urbaschok, Jens; Edelmann, Frank T.","High-yield synthesis of a unique Mn(iii) siloxide complex through KMnO<sub>4</sub> oxidation of a Mn(ii) precursor.","Dalton transactions (Cambridge, England : 2003)","2017","47","1","62","66","10.1039/c7dt03500d","","","0.71073","MoKα","","0.0782","0.0456","","","0.0985","0.1093","","","","","","0.96","","","","has coordinates,has disorder","229386","2020-10-21","18:00:00",""
"7045060","18.766","0.005","19.585","0.005","21.347","0.005","90","","114.046","0.004","90","","7165","3","296","2","296","2","","","","","","","","8","P 1 21/n 1","-P 2yn","14","","","","- C2 H38 K4 Na14 O110 Se6 Sn W24 -","- C2 K2 Na2 O101 Se6 Sn W24 -","- C4 K4 Na4 O202 Se12 Sn2 W48 -","2","0.5","","Chen, Wei-Chao; Wu, Si-Tong; Wang, Xinlong; Qin, Chao; Su, Zhong-Min; Shao, Kui-Zhan; Wang, Enbo","Dimethyltin-Functionalized Cyclic Selenotungstates based on {Se2W12} Units","Dalton Transactions","2017","","","","","10.1039/C7DT04409G","","","0.71073","MoKα","","0.1226","0.0725","","","0.1869","0.2168","","","","","","1.04","","","","has coordinates,has disorder","204304","2020-10-21","18:00:00",""
"7045061","21.458","0.004","21.507","0.004","23.317","0.005","90","","90","","90","","10761","4","293","2","293","2","","","","","","","","9","P m m n","-P 2ab 2a","59","","","","- C2 H92 Cl2 K8 Na18 O188 Se6 Sn W40 -","- C2 Cl2 K Na8 O166 Se6 Sn W40 -","- C4 Cl4 K2 Na16 O332 Se12 Sn2 W80 -","2","","","Chen, Wei-Chao; Wu, Si-Tong; Wang, Xinlong; Qin, Chao; Su, Zhong-Min; Shao, Kui-Zhan; Wang, Enbo","Dimethyltin-Functionalized Cyclic Selenotungstates based on {Se2W12} Units","Dalton Transactions","2017","","","","","10.1039/C7DT04409G","","","0.71073","MoKα","","0.0737","0.0471","","","0.1178","0.1311","","","","","","1.033","","","","has coordinates","204304","2020-10-21","18:00:00",""
"7055835","4.7366","0.0004","11.1769","0.001","18.966","0.0018","90","","97.015","0.002","90","","996.55","0.15","296","2","296","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","2-cyano-N'-[(1E)-(4-hydroxyphenyl)methylidene]acetohydrazide","","- C10 H9 N3 O2 -","- C10 H9 N3 O2 -","- C40 H36 N12 O8 -","4","1","","Zhang, Zhenfeng; Wang, Li; Xuan, Xiaopeng","The CN⋯C‒X σ-hole interaction acts as a conformational lock","New J. Chem.","2017","41","1","42","","10.1039/C6NJ02622B","","","0.71073","MoKα","","0.0538","0.0345","","","0.076","0.0866","","","","","","1.006","","","","has coordinates","191719","2020-10-21","18:00:00",""
"7055836","4.5944","0.0003","9.3525","0.0004","22.972","0.003","90","","94.883","0.002","90","","983.5","0.15","296","2","296","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C10 H9 N3 O2 -","- C10 H9 N3 O2 -","- C40 H36 N12 O8 -","4","1","","Zhang, Zhenfeng; Wang, Li; Xuan, Xiaopeng","The CN⋯C‒X σ-hole interaction acts as a conformational lock","New J. Chem.","2017","41","1","42","","10.1039/C6NJ02622B","","","0.71073","MoKα","","0.0937","0.0515","","","0.1314","0.154","","","","","","1.025","","","","has coordinates","191719","2020-10-21","18:00:00",""
"7055860","6.3722","0.0018","11.278","0.003","17.837","0.005","90","","90","","90","","1281.9","0.6","110.15","","110.15","","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","imidazole derivative","imidozolyl thiozole","","- C16 H9 F N2 O S -","- C16 H9 F N2 O S -","- C64 H36 F4 N8 O4 S4 -","4","1","","Ambethkar, Sethurajan; Vellimalai, Muthalu; Padmini, Vediappen; Bhuvanesh, Nattamai","Iodine-mediated C‒N and C‒S bond formation: regioselective synthesis of benzo[4,5]imidazo[2,1-b]thiazoles","New J. Chem.","2017","41","1","75","","10.1039/C6NJ02102F","","","0.71073","MoKα","","0.042","0.0362","","","0.0737","0.077","","","","","","1.044","","","","has coordinates","191721","2020-10-21","18:00:00",""
"7055861","9.94","0.003","12.584","0.004","11.973","0.004","90","","112.959","0.003","90","","1379","0.8","110.15","","110.15","","","","","","","","","5","P 1 21/n 1","-P 2yn","14","imidazole derivative","imidazolyl thiozole","","- C17 H12 N2 O S -","- C17 H12 N2 O S -","- C68 H48 N8 O4 S4 -","4","1","","Ambethkar, Sethurajan; Vellimalai, Muthalu; Padmini, Vediappen; Bhuvanesh, Nattamai","Iodine-mediated C‒N and C‒S bond formation: regioselective synthesis of benzo[4,5]imidazo[2,1-b]thiazoles","New J. Chem.","2017","41","1","75","","10.1039/C6NJ02102F","","","0.71073","MoKα","","0.0524","0.0389","","","0.0837","0.0905","","","","","","1.036","","","","has coordinates","191721","2020-10-21","18:00:00",""
"7055862","17.72","0.004","9.681","0.002","27.874","0.006","90","","107.915","0.002","90","","4549.9","1.7","90","2","90","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C25 H26 Br N3 O4 -","- C25 H26 Br N3 O4 -","- C200 H208 Br8 N24 O32 -","8","2","","VenkataPrasad, Jalli; Krishnamurthy, Suvratha; Moriguchi, Tetsuji; Tsuge, Akihiko","Efficient synthesis of novel pyrrolo[2,3-c]pyridone derivatives using the Ugi four-component reaction followed by condensation reaction","New J. Chem.","2017","41","1","97","","10.1039/C6NJ02569B","","","0.71073","MoKα","","0.1273","0.0774","","","0.1424","0.1672","","","","","","1.155","","","","has coordinates","203412","2020-10-21","18:00:00",""
"7055864","7.8845","0.0003","11.9643","0.0004","14.9423","0.0004","102.268","0.002","101.916","0.002","95.003","0.003","1334.95","0.08","93","","93.15","","","","","","","","","5","P -1","-P 1","2","","1-((1-(4-bromophenyl)-1H-1,2,3-triazol-4-yl)methyl)-N-3-diphenyl-6,7-dihydro-1H-pyrazolo[4,3-c]pyridine-5(4H)-carboxamide","","- C29 H28 Br N7 O2 -","- C29 H28 Br N7 O2 -","- C58 H56 Br2 N14 O4 -","2","1","","Amaroju, Suresh; Kalaga, Mahalakshmi Naidu; Srinivasarao, Singireddi; Napiórkowska, Agnieszka; Augustynowicz-Kopeć, Ewa; Murugesan, Sankaranarayanan; Chander, Subhash; Krishnan, Rangan; Chandra Sekhar, Kondapalli Venkata Gowri","Identification and development of pyrazolo[4,3-c]pyridine carboxamides as Mycobacterium tuberculosis pantothenate synthetase inhibitors","New J. Chem.","2017","41","1","347","","10.1039/C6NJ02671K","","","0.71073","MoKα","","","0.0479","","","","0.2031","","","","","","1.003","","","","has coordinates","191720","2020-10-21","18:00:00",""
"7055865","8.6286","0.0004","8.7296","0.0004","12.6607","0.0005","107.345","0.004","98.847","0.004","99.464","0.004","876.82","0.07","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","","","- C28 H44 N14 Ni3 O4 -","- C28 H44 N14 Ni3 O4 -","- C28 H44 N14 Ni3 O4 -","1","0.5","","Andrusenko, Elena V.; Kabin, Evgeniy V.; Novikov, Alexander S.; Bokach, Nadezhda A.; Starova, Galina L.; Kukushkin, Vadim Yu.","Metal-mediated generation of triazapentadienate-terminated di- and trinuclear μ2-pyrazolate NiII species and control of their nuclearity","New J. Chem.","2017","41","1","316","","10.1039/C6NJ02962K","","","0.7107","MoKα","","0.0657","0.0435","","","0.0831","0.0903","","","","","","1.044","","","","has coordinates","191715","2020-10-21","18:00:00",""
"7055866","8.1705","0.0004","10.6165","0.0007","14.8093","0.0008","78.021","0.005","75.628","0.005","86.402","0.005","1217.2","0.12","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","","","- C18 H30 N10 Ni2 O4 -","- C18 H30 N10 Ni2 O4 -","- C36 H60 N20 Ni4 O8 -","2","1","","Andrusenko, Elena V.; Kabin, Evgeniy V.; Novikov, Alexander S.; Bokach, Nadezhda A.; Starova, Galina L.; Kukushkin, Vadim Yu.","Metal-mediated generation of triazapentadienate-terminated di- and trinuclear μ2-pyrazolate NiII species and control of their nuclearity","New J. Chem.","2017","41","1","316","","10.1039/C6NJ02962K","","","0.7107","MoKα","","0.0613","0.0417","","","0.0743","0.0817","","","","","","1.046","","","","has coordinates","191715","2020-10-21","18:00:00",""
"7055867","11.83295","0.00018","39.2516","0.0005","16.362","0.0003","90","","99.3458","0.0014","90","","7498.7","0.2","100","2","100","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C38 H38 N10 Ni2 O4 -","- C38 H38 N10 Ni2 O4 -","- C304 H304 N80 Ni16 O32 -","8","2","","Andrusenko, Elena V.; Kabin, Evgeniy V.; Novikov, Alexander S.; Bokach, Nadezhda A.; Starova, Galina L.; Kukushkin, Vadim Yu.","Metal-mediated generation of triazapentadienate-terminated di- and trinuclear μ2-pyrazolate NiII species and control of their nuclearity","New J. Chem.","2017","41","1","316","","10.1039/C6NJ02962K","","","1.54184","CuKα","","0.058","0.0442","","","0.1091","0.1169","","","","","","1.046","","","","has coordinates","203412","2020-10-21","18:00:00",""
"7055868","9.8999","0.0005","5.7496","0.0003","11.1292","0.0005","90","","98.159","0.004","90","","627.07","0.05","100","2","100","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C8 H16 N6 Ni O4 -","- C8 H16 N6 Ni O4 -","- C16 H32 N12 Ni2 O8 -","2","0.5","","Andrusenko, Elena V.; Kabin, Evgeniy V.; Novikov, Alexander S.; Bokach, Nadezhda A.; Starova, Galina L.; Kukushkin, Vadim Yu.","Metal-mediated generation of triazapentadienate-terminated di- and trinuclear μ2-pyrazolate NiII species and control of their nuclearity","New J. Chem.","2017","41","1","316","","10.1039/C6NJ02962K","","","1.5418","CuKα","","0.036","0.0324","","","0.0962","0.0991","","","","","","1.142","","","","has coordinates","191715","2020-10-21","18:00:00",""
"7055869","13.6333","0.0012","14.8982","0.0004","11.0132","0.0005","90","","112.089","0.006","90","","2072.7","0.2","100","2","100","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C36 H36 N14 Ni3 O4 -","- C36 H36 N14 Ni3 O4 -","- C72 H72 N28 Ni6 O8 -","2","0.5","","Andrusenko, Elena V.; Kabin, Evgeniy V.; Novikov, Alexander S.; Bokach, Nadezhda A.; Starova, Galina L.; Kukushkin, Vadim Yu.","Metal-mediated generation of triazapentadienate-terminated di- and trinuclear μ2-pyrazolate NiII species and control of their nuclearity","New J. Chem.","2017","41","1","316","","10.1039/C6NJ02962K","","x-ray","1.54184","CuKα","","0.0648","0.0573","","","0.1746","0.1857","","","","","","1.053","","","","has coordinates,has disorder","191715","2020-10-21","18:00:00",""
"7055870","10.193","0.0006","10.5329","0.0006","26.0752","0.0018","85.312","0.004","82.9","0.004","64.441","0.004","2504.9","0.3","273","2","273","2","","","","","","","","4","P -1","-P 1","2","","(E)-4-(4-(benzo[d]thiazol-2-yl)styryl)-N,N-diphenylaniline","","- C33 H24 N2 S -","- C33 H24 N1.6635 S0.6635 -","- C132 H96 N6.654 S2.654 -","4","2","","Zhan, Yong; Yang, Peng; Li, Gang; Zhang, Yuanyuan; Bao, Ying","Reversible piezofluorochromism of a triphenylamine-based benzothiazole derivative with a strong fluorescence response to volatile acid vapors","New J. Chem.","2017","41","1","263","","10.1039/C6NJ02735K","","","0.71073","MoKα","","0.1347","0.0656","","","0.1578","0.1989","","","","","","1.028","","","","has coordinates,has disorder","191716","2020-10-21","18:00:00",""
"7055871","3.8235","0.0016","16.595","0.007","9.641","0.004","90","","99.676","0.007","90","","603","0.4","296","2","296","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C3 H5 N5 O2 -","- C3 H5 N5 O2 -","- C12 H20 N20 O8 -","4","1","","Zhou, Tianhong; Li, Yanfeng; Xu, Kangzhen; Song, Jirong; Zhao, Fengqi","The new role of 1,1-diamino-2,2-dinitroethylene (FOX-7): two unexpected reactions","New J. Chem.","2017","41","1","168","","10.1039/C6NJ03370A","","","0.71073","MoKα","","0.0687","0.0493","","","0.1166","0.1283","","","","","","0.96","","","","has coordinates","191717","2020-10-21","18:00:00",""
"7055872","13.979","0.004","18.939","0.005","22.465","0.006","101.682","0.006","107.72","0.006","94.808","0.006","5480","3","200","2","200","2","","","","","","","","6","P -1","-P 1","2","","","","- C48 H76 Li4 N6 O3 Si2 -","- C48 H76 Li4 N6 O3 Si2 -","- C192 H304 Li16 N24 O12 Si8 -","4","2","","Li, Wei; Bai, Sheng-Di; Su, Feng; Yuan, Shi-Fang; Duan, Xin-E; Liu, Dian-Sheng","Zirconium complexes based on an ethylene linked amidinate‒amido ligand: synthesis, characterization and ethylene polymerization","New J. Chem.","2017","41","2","661","","10.1039/C6NJ02537D","","","0.71073","MoKα","","0.1822","0.0821","","","0.1929","0.2176","","","","","","1.086","","","","has coordinates,has disorder","191697","2020-10-21","18:00:00",""
"7055873","34.8268","0.0012","9.1327","0.0003","24.1978","0.0009","90","","107.572","0.001","90","","7337.3","0.4","194","2","194","2","","","","","","","","5","C 1 c 1","C -2yc","9","","","","- C36 H46 N6 Si2 Zr -","- C36 H46 N6 Si2 Zr -","- C288 H368 N48 Si16 Zr8 -","8","2","","Li, Wei; Bai, Sheng-Di; Su, Feng; Yuan, Shi-Fang; Duan, Xin-E; Liu, Dian-Sheng","Zirconium complexes based on an ethylene linked amidinate‒amido ligand: synthesis, characterization and ethylene polymerization","New J. Chem.","2017","41","2","661","","10.1039/C6NJ02537D","","","0.71073","MoKα","","0.0673","0.0467","","","0.0994","0.1088","","","","","","1.023","","","","has coordinates","191697","2020-10-21","18:00:00",""
"7055874","10.584","0.003","35.281","0.008","9.826","0.002","90","","101.664","0.005","90","","3593.4","1.5","194","2","194","2","","","","","","","","8","P 1 21/c 1","-P 2ybc","14","","","","- C26 H44 Cl4 Li N3 O2 Si Zr -","- C26 H44 Cl4 Li N3 O2 Si Zr -","- C104 H176 Cl16 Li4 N12 O8 Si4 Zr4 -","4","1","","Li, Wei; Bai, Sheng-Di; Su, Feng; Yuan, Shi-Fang; Duan, Xin-E; Liu, Dian-Sheng","Zirconium complexes based on an ethylene linked amidinate‒amido ligand: synthesis, characterization and ethylene polymerization","New J. Chem.","2017","41","2","661","","10.1039/C6NJ02537D","","","0.71073","MoKα","","0.1089","0.0647","","","0.123","0.1385","","","","","","1.067","","","","has coordinates,has disorder","191697","2020-10-21","18:00:00",""
"7055875","12.156","0.003","13.583","0.003","13.801","0.003","89.852","0.005","77.833","0.004","77.133","0.004","2169.3","0.9","194","2","194","2","","","","","","","","6","P -1","-P 1","2","","","","- C34 H64 Li4 N4 O3 Si2 -","- C34 H64 Li4 N4 O3 Si2 -","- C68 H128 Li8 N8 O6 Si4 -","2","1","","Li, Wei; Bai, Sheng-Di; Su, Feng; Yuan, Shi-Fang; Duan, Xin-E; Liu, Dian-Sheng","Zirconium complexes based on an ethylene linked amidinate‒amido ligand: synthesis, characterization and ethylene polymerization","New J. Chem.","2017","41","2","661","","10.1039/C6NJ02537D","","","0.71073","MoKα","","0.2153","0.131","","","0.3824","0.4519","","","","","","1.06","","","","has coordinates","191697","2020-10-21","18:00:00",""
"7055876","11.4347","0.0004","14.9823","0.0005","16.8734","0.0006","90","","96.583","0.001","90","","2871.66","0.17","200","2","200","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C40 H56 Cl14 N6 Si2 Zr2 -","- C40 H56 Cl14 N6 Si2 Zr2 -","- C80 H112 Cl28 N12 Si4 Zr4 -","2","0.5","","Li, Wei; Bai, Sheng-Di; Su, Feng; Yuan, Shi-Fang; Duan, Xin-E; Liu, Dian-Sheng","Zirconium complexes based on an ethylene linked amidinate‒amido ligand: synthesis, characterization and ethylene polymerization","New J. Chem.","2017","41","2","661","","10.1039/C6NJ02537D","","","0.71073","MoKα","","0.0422","0.0382","","","0.0935","0.0978","","","","","","1.044","","","","has coordinates","191697","2020-10-21","18:00:00",""
"7055877","10.51","0.005","15.733","0.007","18.67","0.008","79.12","0.02","74.44","0.02","77.5","0.02","2875","2","296","2","296","","","","","","","","","5","P -1","-P 1","2","","","","- C45 H77 Mo2 N7 O12 -","- C45 H77 Mo2 N7 O12 -","- C90 H154 Mo4 N14 O24 -","2","1","","Maurya, Mannar R.; Rana, Lata; Avecilla, Fernando","Molybdenum complexes with a μ-O{MoO2}2 core: their synthesis, crystal structure and application as catalysts for the oxidation of bicyclic alcohols using N-based additives","New J. Chem.","2017","41","2","724","","10.1039/C6NJ03162E","","","0.71073","MOKα","","0.0929","0.0584","","","0.1758","0.2634","","","","","","1.067","","","","has coordinates","191700","2020-10-21","18:00:00",""
"7055878","11.6534","0.0003","39.0383","0.0012","12.9675","0.0004","90","","116.524","0.0013","90","","5278.4","0.3","100","2","100","","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C20 H26 Mo2 N2 O11 S2 -","- C20 H26 Mo2 N2 O11 S2 -","- C160 H208 Mo16 N16 O88 S16 -","8","2","","Maurya, Mannar R.; Rana, Lata; Avecilla, Fernando","Molybdenum complexes with a μ-O{MoO2}2 core: their synthesis, crystal structure and application as catalysts for the oxidation of bicyclic alcohols using N-based additives","New J. Chem.","2017","41","2","724","","10.1039/C6NJ03162E","","","0.71073","MoKα","","0.0525","0.0431","","","0.0949","0.0985","","","","","","1.097","","","","has coordinates,has disorder","191700","2020-10-21","18:00:00",""
"7055879","21.595","0.003","11.459","0.018","26.335","0.004","90","","90","","90","","6517","10","150","2","150","2","","","","","","","","4","P c a 21","P 2c -2ac","29","","","","- C32 H49 N5 Zr -","- C32 H49 N5 Zr -","- C256 H392 N40 Zr8 -","8","2","","Luconi, Lapo; Kissel, Alexander A.; Rossin, Andrea; Khamaletdinova, Nadiya M.; Cherkasov, Anton V.; Tuci, Giulia; Fukin, Georgy K.; Trifonov, Alexander A.; Giambastiani, Giuliano","C1 and Cs 2-pyridylethylanilido zirconium(iv), yttrium(iii) and lutetium(iii) complexes: synthesis, characterization and catalytic activity in the isoprene polymerization","New J. Chem.","2017","41","2","540","","10.1039/C6NJ03193E","","x-ray","1.5418","CuKα","","0.1195","0.0846","","","0.1838","0.2115","","","","","","1.062","","","","has coordinates","191703","2020-10-21","18:00:00",""
"7055880","11.693","0.008","17.076","0.011","18.712","0.015","90","","91.569","0.006","90","","3735","5","150","2","150","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C39 H55 N5 Zr -","- C39 H55 N5 Zr -","- C156 H220 N20 Zr4 -","4","1","","Luconi, Lapo; Kissel, Alexander A.; Rossin, Andrea; Khamaletdinova, Nadiya M.; Cherkasov, Anton V.; Tuci, Giulia; Fukin, Georgy K.; Trifonov, Alexander A.; Giambastiani, Giuliano","C1 and Cs 2-pyridylethylanilido zirconium(iv), yttrium(iii) and lutetium(iii) complexes: synthesis, characterization and catalytic activity in the isoprene polymerization","New J. Chem.","2017","41","2","540","","10.1039/C6NJ03193E","","x-ray","0.71069","MoKα","","0.227","0.0836","","","0.1058","0.149","","","","","","0.968","","","","has coordinates","191703","2020-10-21","18:00:00",""
"7055881","10.2449","0.0007","18.0995","0.0012","26.6375","0.0019","90","","95.685","0.001","90","","4915","0.6","100","2","100","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C52 H75 N2 O Si2 Y -","- C52 H75 N2 O Si2 Y -","- C208 H300 N8 O4 Si8 Y4 -","4","1","","Luconi, Lapo; Kissel, Alexander A.; Rossin, Andrea; Khamaletdinova, Nadiya M.; Cherkasov, Anton V.; Tuci, Giulia; Fukin, Georgy K.; Trifonov, Alexander A.; Giambastiani, Giuliano","C1 and Cs 2-pyridylethylanilido zirconium(iv), yttrium(iii) and lutetium(iii) complexes: synthesis, characterization and catalytic activity in the isoprene polymerization","New J. Chem.","2017","41","2","540","","10.1039/C6NJ03193E","","","0.71073","MoKα","","0.0575","0.0411","","","0.0966","0.1015","","","","","","1.03","","","","has coordinates","191703","2020-10-21","18:00:00",""
"7055882","13.9268","0.0003","8.7933","0.0002","13.3931","0.0003","90","","97.667","0.002","90","","1625.49","0.06","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C14 H10 N5 O6 V -","- C14 H10 N5 O6 V -","- C56 H40 N20 O24 V4 -","4","1","","Koleša-Dobravc, Tanja; Maejima, Keiichi; Yoshikawa, Yutaka; Meden, Anton; Yasui, Hiroyuki; Perdih, Franc","Vanadium and zinc complexes of 5-cyanopicolinate and pyrazine derivatives: synthesis, structural elucidation and in vitro insulino-mimetic activity study","New J. Chem.","2017","41","2","735","","10.1039/C6NJ02961B","","","0.71073","MoKα","","0.0437","0.0333","","","0.0873","0.0932","","","","","","1.044","","","","has coordinates","191699","2020-10-21","18:00:00",""
"7055883","7.8991","0.0001","8.1586","0.0001","12.3149","0.0002","74.517","0.001","85.174","0.001","64.596","0.001","690.463","0.018","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C10 H10 N5 O6 V -","- C10 H10 N5 O6 V -","- C20 H20 N10 O12 V2 -","2","1","","Koleša-Dobravc, Tanja; Maejima, Keiichi; Yoshikawa, Yutaka; Meden, Anton; Yasui, Hiroyuki; Perdih, Franc","Vanadium and zinc complexes of 5-cyanopicolinate and pyrazine derivatives: synthesis, structural elucidation and in vitro insulino-mimetic activity study","New J. Chem.","2017","41","2","735","","10.1039/C6NJ02961B","","","0.71073","MoKα","","0.0289","0.0264","","","0.074","0.0758","","","","","","1.037","","","","has coordinates","191699","2020-10-21","18:00:00",""
"7055884","9.2182","0.0002","11.9215","0.0003","14.0719","0.0003","90","","98.587","0.002","90","","1529.09","0.06","150","2","150","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C10 H14 N7 O7 V -","- C10 H14 N7 O7 V -","- C40 H56 N28 O28 V4 -","4","1","","Koleša-Dobravc, Tanja; Maejima, Keiichi; Yoshikawa, Yutaka; Meden, Anton; Yasui, Hiroyuki; Perdih, Franc","Vanadium and zinc complexes of 5-cyanopicolinate and pyrazine derivatives: synthesis, structural elucidation and in vitro insulino-mimetic activity study","New J. Chem.","2017","41","2","735","","10.1039/C6NJ02961B","","","0.71073","MoKα","","0.0375","0.0322","","","0.0849","0.0885","","","","","","1.075","","","","has coordinates","191699","2020-10-21","18:00:00",""
"7055885","5.019","0.0004","6.4793","0.0004","12.6014","0.0006","91.545","0.004","99.276","0.005","110.23","0.006","377.97","0.05","150","2","150","2","","","","","","","","5","P -1","-P 1","2","","","","- C14 H10 N4 O6 Zn -","- C14 H10 N4 O6 Zn -","- C14 H10 N4 O6 Zn -","1","0.5","","Koleša-Dobravc, Tanja; Maejima, Keiichi; Yoshikawa, Yutaka; Meden, Anton; Yasui, Hiroyuki; Perdih, Franc","Vanadium and zinc complexes of 5-cyanopicolinate and pyrazine derivatives: synthesis, structural elucidation and in vitro insulino-mimetic activity study","New J. Chem.","2017","41","2","735","","10.1039/C6NJ02961B","","","0.71073","MoKα","","0.043","0.0365","","","0.0667","0.0706","","","","","","1.151","","","","has coordinates","191699","2020-10-21","18:00:00",""
"7055886","10.5093","0.0002","11.7016","0.0002","12.5825","0.0002","81.159","0.001","86.783","0.001","72.654","0.001","1459.34","0.04","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C31 H26 N8 O4 Zn -","- C31 H26 N8 O4 Zn -","- C62 H52 N16 O8 Zn2 -","2","1","","Koleša-Dobravc, Tanja; Maejima, Keiichi; Yoshikawa, Yutaka; Meden, Anton; Yasui, Hiroyuki; Perdih, Franc","Vanadium and zinc complexes of 5-cyanopicolinate and pyrazine derivatives: synthesis, structural elucidation and in vitro insulino-mimetic activity study","New J. Chem.","2017","41","2","735","","10.1039/C6NJ02961B","","","0.71073","MoKα","","0.0486","0.0434","","","0.1202","0.1271","","","","","","1.026","","","","has coordinates","191699","2020-10-21","18:00:00",""
"7055887","10.13","0.0001","11.4236","0.0002","17.9233","0.0003","90","","114.146","0.001","90","","1892.63","0.05","150","2","150","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C19 H12 N6 O4 Zn -","- C19 H12 N6 O4 Zn -","- C76 H48 N24 O16 Zn4 -","4","1","","Koleša-Dobravc, Tanja; Maejima, Keiichi; Yoshikawa, Yutaka; Meden, Anton; Yasui, Hiroyuki; Perdih, Franc","Vanadium and zinc complexes of 5-cyanopicolinate and pyrazine derivatives: synthesis, structural elucidation and in vitro insulino-mimetic activity study","New J. Chem.","2017","41","2","735","","10.1039/C6NJ02961B","","","1.54184","CuKα","","0.0334","0.0279","","","0.0688","0.0729","","","","","","1.06","","","","has coordinates","191699","2020-10-21","18:00:00",""
"7055888","19.2608","0.0004","7.1469","0.0001","17.3723","0.0004","90","","90","","90","","2391.38","0.08","293","2","293","2","","","","","","","","5","P n a 21","P 2c -2n","33","","","","- C24 H16 N6 O4 Zn -","- C24 H16 N6 O4 Zn -","- C96 H64 N24 O16 Zn4 -","4","1","","Koleša-Dobravc, Tanja; Maejima, Keiichi; Yoshikawa, Yutaka; Meden, Anton; Yasui, Hiroyuki; Perdih, Franc","Vanadium and zinc complexes of 5-cyanopicolinate and pyrazine derivatives: synthesis, structural elucidation and in vitro insulino-mimetic activity study","New J. Chem.","2017","41","2","735","","10.1039/C6NJ02961B","","","0.71073","MoKα","","0.0458","0.0342","","","0.0788","0.0849","","","","","","1.045","","","","has coordinates","191699","2020-10-21","18:00:00",""
"7055889","13.035","0.0003","29.0574","0.0007","20.4786","0.0005","90","","118.529","0.002","90","","6814.7","0.3","150","2","150","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C35 H30 N6 O6 Zn -","- C35 H30 N6 O6 Zn -","- C280 H240 N48 O48 Zn8 -","8","2","","Koleša-Dobravc, Tanja; Maejima, Keiichi; Yoshikawa, Yutaka; Meden, Anton; Yasui, Hiroyuki; Perdih, Franc","Vanadium and zinc complexes of 5-cyanopicolinate and pyrazine derivatives: synthesis, structural elucidation and in vitro insulino-mimetic activity study","New J. Chem.","2017","41","2","735","","10.1039/C6NJ02961B","","","0.71073","MoKα","","0.0994","0.0585","","","0.1756","0.2059","","","","","","1.072","","","","has coordinates,has disorder","191699","2020-10-21","18:00:00",""
"7055890","11.906","0.005","13.462","0.005","15.476","0.005","69.79","0.005","83.07","0.005","89.517","0.005","2309.3","1.5","120","2","120.15","","","","","","","","","5","P -1","-P 1","2","","","","- C18 H24 In N3 S6 -","- C18 H24 In N3 S6 -","- C72 H96 In4 N12 S24 -","4","2","","Ghosh, Abhisek Brata; Saha, Namrata; Sarkar, Arpita; Dutta, Amit Kumar; Maji, Swarup Kumar; Adhikary, Bibhutosh","Observation of enhanced photocurrent response in M‒CuInS2 (M = Au, Ag) heteronanostructures: phase selective synthesis and application","New J. Chem.","2017","41","2","692","","10.1039/C6NJ02439D","","","0.71073","MoKα","","0.0515","0.0358","","","0.0768","0.0827","","","","","","1.029","","","","has coordinates,has disorder","191704","2020-10-21","18:00:00",""
"7055891","10.6096","0.0007","12.9537","0.0008","14.5386","0.0009","84.106","0.002","72.903","0.002","72.028","0.002","1816.5","0.2","120","2","120","2","","","","","","","","6","P -1","-P 1","2","","","","- C42 H38 Cu N P2 S2 -","- C42 H38 Cu N P2 S2 -","- C84 H76 Cu2 N2 P4 S4 -","2","1","","Ghosh, Abhisek Brata; Saha, Namrata; Sarkar, Arpita; Dutta, Amit Kumar; Maji, Swarup Kumar; Adhikary, Bibhutosh","Observation of enhanced photocurrent response in M‒CuInS2 (M = Au, Ag) heteronanostructures: phase selective synthesis and application","New J. Chem.","2017","41","2","692","","10.1039/C6NJ02439D","","","0.71073","MoKα","","0.0702","0.0452","","","0.1171","0.1403","","","","","","1.023","","","","has coordinates","191704","2020-10-21","18:00:00",""
"7055892","7.9019","0.0005","9.722","0.0006","10.8821","0.0007","97.947","0.001","95.917","0.001","113.062","0.001","750.36","0.08","296","2","296","2","","","","","","","","5","P -1","-P 1","2","","","","- C16 H13 N O7 Zn -","- C16 H13 N O7 Zn -","- C32 H26 N2 O14 Zn2 -","2","1","","Li, Huijun; Wang, Yuan; He, Yaling; Xu, Zhouqing; Zhao, Xiaolei; Han, Yi","Synthesis of several novel coordination complexes: ion exchange, magnetic and photocatalytic studies","New J. Chem.","2017","41","3","1046","","10.1039/C6NJ02863B","","","0.71073","MoKα","","0.0398","0.0336","","","0.082","0.0857","","","","","","1.041","","","","has coordinates","191706","2020-10-21","18:00:00",""
"7055893","8.6847","0.0005","18.816","0.0011","14.1392","0.0009","90","","91.92","0.001","90","","2309.2","0.2","296","2","296","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C26 H21 N3 O7 Zn -","- C26 H21 N3 O7 Zn -","- C104 H84 N12 O28 Zn4 -","4","1","","Li, Huijun; Wang, Yuan; He, Yaling; Xu, Zhouqing; Zhao, Xiaolei; Han, Yi","Synthesis of several novel coordination complexes: ion exchange, magnetic and photocatalytic studies","New J. Chem.","2017","41","3","1046","","10.1039/C6NJ02863B","","","0.71073","MoKα","","0.055","0.035","","","0.0773","0.0829","","","","","","1.016","","","","has coordinates","191706","2020-10-21","18:00:00",""
"7055894","24.119","0.004","7.794","0.0012","18.09","0.003","90","","100.985","0.002","90","","3338.3","0.9","293","2","293","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C21 H13 N2 O5 S0 Zn -","- C21 H13 N2 O5 Zn -","- C168 H104 N16 O40 Zn8 -","8","1","","Li, Huijun; Wang, Yuan; He, Yaling; Xu, Zhouqing; Zhao, Xiaolei; Han, Yi","Synthesis of several novel coordination complexes: ion exchange, magnetic and photocatalytic studies","New J. Chem.","2017","41","3","1046","","10.1039/C6NJ02863B","","","0.71073","MoKα","","0.0871","0.0409","","","0.0625","0.0683","","","","","","1.051","","","","has coordinates","191706","2020-10-21","18:00:00",""
"7055895","21.187","0.01","21.187","0.01","21.9","0.02","90","","90","","120","","8514","10","296","2","296","2","","","","","","","","5","R -3 :H","-R 3","148","","","","- C18 H20.5 Cu N1.5 O9 -","- C16 H11 Cu N O6 -","- C288 H198 Cu18 N18 O108 -","18","1","","Li, Huijun; Wang, Yuan; He, Yaling; Xu, Zhouqing; Zhao, Xiaolei; Han, Yi","Synthesis of several novel coordination complexes: ion exchange, magnetic and photocatalytic studies","New J. Chem.","2017","41","3","1046","","10.1039/C6NJ02863B","","","0.71073","MoKα","","0.0826","0.051","","","0.0992","0.1078","","","","","","0.947","","","","has coordinates,has disorder","191706","2020-10-21","18:00:00",""
"7055896","13.981","0.002","13.594","0.002","30.578","0.005","90","","93.477","0.003","90","","5800.9","1.5","296","2","296","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C68 H42 Cl2 Cu3 N8 O18 -","- C68 H42 Cl2 Cu3 N8 O18 -","- C272 H168 Cl8 Cu12 N32 O72 -","4","0.5","","Li, Huijun; Wang, Yuan; He, Yaling; Xu, Zhouqing; Zhao, Xiaolei; Han, Yi","Synthesis of several novel coordination complexes: ion exchange, magnetic and photocatalytic studies","New J. Chem.","2017","41","3","1046","","10.1039/C6NJ02863B","","","0.71073","MoKα","","0.0485","0.0362","","","0.0908","0.0961","","","","","","1.005","","","","has coordinates","191706","2020-10-21","18:00:00",""
"7055897","11.807","0.009","9.928","0.009","23.44","0.02","90","","97.668","0.015","90","","2723","4","293","2","293","2","","","","","","","","5","P 1 2/c 1","-P 2yc","13","","","","- C35 H34 Co N6 O6 -","- C29 H25 Co N3 O6 -","- C116 H100 Co4 N12 O24 -","4","1","","Li, Huijun; Wang, Yuan; He, Yaling; Xu, Zhouqing; Zhao, Xiaolei; Han, Yi","Synthesis of several novel coordination complexes: ion exchange, magnetic and photocatalytic studies","New J. Chem.","2017","41","3","1046","","10.1039/C6NJ02863B","","","0.71073","MoKα","","0.0783","0.0465","","","0.1042","0.1158","","","","","","1.066","","","","has coordinates,has disorder","191706","2020-10-21","18:00:00",""
"7055898","14.579","0.004","16.227","0.004","15.737","0.003","90","","117.599","0.018","90","","3299.3","1.5","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C32 H36 Co N4 O11 -","- C32 H36 Co N4 O11 -","- C128 H144 Co4 N16 O44 -","4","1","","Li, Huijun; Wang, Yuan; He, Yaling; Xu, Zhouqing; Zhao, Xiaolei; Han, Yi","Synthesis of several novel coordination complexes: ion exchange, magnetic and photocatalytic studies","New J. Chem.","2017","41","3","1046","","10.1039/C6NJ02863B","","","0.71073","MoKα","","0.0602","0.0409","","","0.0974","0.1056","","","","","","1.057","","","","has coordinates","191706","2020-10-21","18:00:00",""
"7055899","9.5056","0.0004","37.3101","0.0015","14.736","0.0006","90","","96.305","0.001","90","","5194.6","0.4","296","2","296","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C57 H46 N6 O15 S0 Zn2 -","- C57 H46 N6 O15 Zn2 -","- C228 H184 N24 O60 Zn8 -","4","1","","Li, Huijun; Wang, Yuan; He, Yaling; Xu, Zhouqing; Zhao, Xiaolei; Han, Yi","Synthesis of several novel coordination complexes: ion exchange, magnetic and photocatalytic studies","New J. Chem.","2017","41","3","1046","","10.1039/C6NJ02863B","","","0.71073","MoKα","","0.0967","0.0675","","","0.158","0.1671","","","","","","1.104","","","","has coordinates","191706","2020-10-21","18:00:00",""
"7055900","14.2129","0.0008","17.0556","0.001","26.872","0.0015","89.444","0.005","83.294","0.004","82.777","0.005","6418","0.6","140","1","140","1","","","","","","","","4","P -1","-P 1","2","","","","- C124 H114 Mn12 O47 -","- C124 H108 Mn12 O47 -","- C248 H216 Mn24 O94 -","2","1","","Kushch, Lyudmila A.; Kazakova, Anna V.; Mironova, Svetlana A.; Yagubskii, Eduard B.; Simonov, Sergey V.; Zorina, Leokadiya V.; Shibaeva, Rimma P.; Sadakov, Andrey V.; Mironov, Vladimir S.","A perylene complex with a one-dimensional coordination polymer containing [Mn6O2(CHCl2COO)10(H2O)2] cluster units linked by 3,10-perylenequinone bridges","New J. Chem.","2017","41","2","793","","10.1039/C6NJ03097A","","","0.71073","MoKα","","0.1903","0.0559","","","0.061","0.0691","","","","","","0.916","","","","has coordinates,has disorder","191702","2020-10-21","18:00:00",""
"7055901","19.829","0.0018","23.556","0.004","23.62","0.002","109.625","0.003","111.342","0.002","98.625","0.003","9202","2","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","","","- C100 H52 Cl40 Mn12 O52 -","- C100 H52 Cl40 Mn12 O52 -","- C200 H104 Cl80 Mn24 O104 -","2","1","","Kushch, Lyudmila A.; Kazakova, Anna V.; Mironova, Svetlana A.; Yagubskii, Eduard B.; Simonov, Sergey V.; Zorina, Leokadiya V.; Shibaeva, Rimma P.; Sadakov, Andrey V.; Mironov, Vladimir S.","A perylene complex with a one-dimensional coordination polymer containing [Mn6O2(CHCl2COO)10(H2O)2] cluster units linked by 3,10-perylenequinone bridges","New J. Chem.","2017","41","2","793","","10.1039/C6NJ03097A","","","0.71073","MoKα","","0.3007","0.0961","","","0.1816","0.2168","","","","","","1.012","","","","has coordinates,has disorder","191702","2020-10-21","18:00:00",""
"7055902","9.4863","0.0006","10.0848","0.0006","13.3834","0.0009","110.202","0.003","91.71","0.003","112.977","0.002","1085.99","0.12","293","","293","","","","","","","","","5","P -1","-P 1","2","RT-L4F","2'-(4-fluorophenyl)-1'-nitro-1',2',5',6',7',7a'-hexahydrospiro[indeno[1,2-b]quinoxaline-11,3'-pyrrolizine]","","- C27 H21 F N4 O2 -","- C27 H21 F N4 O2 -","- C54 H42 F2 N8 O4 -","2","1","","Akondi, Adinarayana Murthy; Mekala, Sowmya; Kantam, Mannepalli Lakshmi; Trivedi, Rajiv; Raju Chowhan, L.; Das, Amitava","An expedient microwave assisted regio- and stereoselective synthesis of spiroquinoxaline pyrrolizine derivatives and their AChE inhibitory activity","New J. Chem.","2017","41","2","873","","10.1039/C6NJ02869A","","","0.71075","MoKα","","","0.0453","","","","0.1289","","","","","","0.997","","","","has coordinates","191696","2020-10-21","18:00:00",""
"7055903","7.79","0.0004","5.2518","0.0003","18.107","0.001","90","","92.039","0.003","90","","740.32","0.07","293","2","293","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","gmma","","- C16 H16 N2 S2 -","- C16 H16 N2 S2 -","- C32 H32 N4 S4 -","2","0.5","","Saha, Pinaki; Samanta, Debasish; Ghosh, Prasanta","Glyoxalbis(2-methylmercaptoanil) complexes of nickel and ruthenium: radical versus non-radical states","New J. Chem.","2017","41","3","1149","","10.1039/C6NJ02903E","","","0.71073","MoKα","","0.0545","0.0409","","","0.1043","0.1142","","","","","","0.969","","","","has coordinates","191707","2020-10-21","18:00:00",""
"7055904","18.1597","0.0019","16.2161","0.0018","6.9479","0.0007","90","","90","","90","","2046","0.4","293","2","293","2","","","","","","","","6","P n m a","-P 2ac 2n","62","","1_CH2Cl2","","- C17 H18 Cl4 N2 Ni S2 -","- C17 H18 Cl4 N2 Ni S2 -","- C68 H72 Cl16 N8 Ni4 S8 -","4","0.5","","Saha, Pinaki; Samanta, Debasish; Ghosh, Prasanta","Glyoxalbis(2-methylmercaptoanil) complexes of nickel and ruthenium: radical versus non-radical states","New J. Chem.","2017","41","3","1149","","10.1039/C6NJ02903E","","","0.71073","MoKα","","0.0313","0.0271","","","0.0725","0.0752","","","","","","0.971","","","","has coordinates","191707","2020-10-21","18:00:00",""
"7055905","7.4899","0.0003","24.1677","0.0008","19.6549","0.0007","90","","100.84","0.001","90","","3494.3","0.2","298","2","298","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C16 H16 Cl2 N2 Ru S2 -","- C16 H16 Cl2 N2 Ru S2 -","- C128 H128 Cl16 N16 Ru8 S16 -","8","2","","Saha, Pinaki; Samanta, Debasish; Ghosh, Prasanta","Glyoxalbis(2-methylmercaptoanil) complexes of nickel and ruthenium: radical versus non-radical states","New J. Chem.","2017","41","3","1149","","10.1039/C6NJ02903E","","","0.71073","MoKα","","0.0666","0.0402","","","0.0788","0.0895","","","","","","1.135","","","","has coordinates","191707","2020-10-21","18:00:00",""
"7055906","19.963","0.005","19.963","0.005","15.819","0.005","90","","90","","120","","5460","3","273","2","273","2","","","","","","","","8","P 63/m","-P 6c","176","","","","- C34 H33 Cl2 N2 O P Ru S2 -","- C34 H31 Cl2 N2 O P Ru S2 -","- C204 H186 Cl12 N12 O6 P6 Ru6 S12 -","6","0.5","","Saha, Pinaki; Samanta, Debasish; Ghosh, Prasanta","Glyoxalbis(2-methylmercaptoanil) complexes of nickel and ruthenium: radical versus non-radical states","New J. Chem.","2017","41","3","1149","","10.1039/C6NJ02903E","","","0.71073","MoKα","","0.0704","0.0532","","","0.1523","0.1773","","","","","","1.061","","","","has coordinates,has disorder","191707","2020-10-21","18:00:00",""
"7055907","29.476","","6.975","","13.591","","90","","112.53","","90","","2580.98","","120","2","120","2","","","","","","","synthesis as described","5","C 1 2/c 1","-C 2yc","15","2-amino-chalcone","(E)-1-(2-aminophenyl)-3-(3-bromo-5-hydroyphenyl)-prop-2-en-1-one","","- C15 H12 Br N O2 -","- C15 H12 Br N O2 -","- C120 H96 Br8 N8 O16 -","8","1","","Almeida, Leonardo R.; Anjos, Murilo M.; Ribeiro, Gabriela C.; Valverde, Clodoaldo; Machado, Daniel F. S.; Oliveira, Guilherme R.; Napolitano, Hamilton B.; de Oliveira, Heibbe C. B.","Synthesis, structural characterization and computational study of a novel amino chalcone: a potential nonlinear optical material","New J. Chem.","2017","41","4","1744","","10.1039/C5NJ03214H","","x-ray","0.71073","MoKα","","0.0194","0.0178","","","0.046","0.047","","","","","","1.084","","","","has coordinates","193877","2020-10-21","18:00:00",""
"7055908","9.8852","0.0005","16.8825","0.0009","8.172","0.0004","90","","93.423","0.002","90","","1361.37","0.12","296","2","296","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C8 H20 Co O9 -","- C8 H18 Co O9 -","- C32 H72 Co4 O36 -","4","1","","Li, Zhong-Yi; Cao, Yuan-Qing; Zhang, Xiang-Ming; Xu, Ya-Lan; Cao, Guang-Xiu; Zhang, Fu-Li; Li, Su-Zhi; Zhang, Fu-Qiang; Zhai, Bin","Linking cobalt‒water chains with cis-1,4-cyclohexanedicarboxylate bridges to form a 2D network exhibiting spin-canted antiferromagnetism","New J. Chem.","2017","41","2","457","","10.1039/C6NJ03278H","","","0.71073","MoKα","","0.0815","0.0676","","","0.1911","0.1984","","","","","","1.058","","","","has coordinates,has disorder","191698","2020-10-21","18:00:00",""
"7055909","5.9313","0.0006","25.036","0.003","8.5659","0.0009","90","","93.723","0.004","90","","1269.3","0.2","172","2","172","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C7 H6 N8 O8 -","- C7 H6 N8 O8 -","- C28 H24 N32 O32 -","4","1","","Yu, Qiong; Cheng, Guangbin; Ju, Xuehai; Lu, Chunxu; Lin, Qiuhan; Yang, Hongwei","Compounds based on 3-amino-4-(5-methyl-1,2,4-oxadiazol-3-yl)furazan as insensitive energetic materials","New J. Chem.","2017","41","3","1202","","10.1039/C6NJ03333D","","","0.71073","MoKα","","0.0916","0.0426","","","0.0783","0.0922","","","","","","1.021","","","","has coordinates","191714","2020-10-21","18:00:00",""
"7055910","7.6336","0.0009","3.8428","0.0005","32.115","0.004","90","","90.568","0.005","90","","942","0.2","173","2","173","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C5 H5 N6 Na O5 -","- C5 H5 N6 Na O5 -","- C20 H20 N24 Na4 O20 -","4","1","","Yu, Qiong; Cheng, Guangbin; Ju, Xuehai; Lu, Chunxu; Lin, Qiuhan; Yang, Hongwei","Compounds based on 3-amino-4-(5-methyl-1,2,4-oxadiazol-3-yl)furazan as insensitive energetic materials","New J. Chem.","2017","41","3","1202","","10.1039/C6NJ03333D","","","0.71073","MoKα","","0.1143","0.0636","","","0.1371","0.1548","","","","","","1.049","","","","has coordinates","191714","2020-10-21","18:00:00",""
"7055911","8.3172","0.001","7.226","0.001","14.148","0.002","90","","90","","90","","850.3","0.2","173","2","173","2","","","","","","","","4","P c a 21","P 2c -2ac","29","","","","- C5 H4 N6 O4 -","- C5 H4 N6 O4 -","- C20 H16 N24 O16 -","4","1","","Yu, Qiong; Cheng, Guangbin; Ju, Xuehai; Lu, Chunxu; Lin, Qiuhan; Yang, Hongwei","Compounds based on 3-amino-4-(5-methyl-1,2,4-oxadiazol-3-yl)furazan as insensitive energetic materials","New J. Chem.","2017","41","3","1202","","10.1039/C6NJ03333D","","","0.71073","MoKα","","0.0466","0.0314","","","0.0621","0.0686","","","","","","1.039","","","","has coordinates","191714","2020-10-21","18:00:00",""
"7055912","32.485","0.007","4.054","0.0008","14.208","0.003","90","","98.098","0.008","90","","1852.5","0.7","173","2","173","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C5 H7 N7 O5 -","- C5 H7 N7 O5 -","- C40 H56 N56 O40 -","8","1","","Yu, Qiong; Cheng, Guangbin; Ju, Xuehai; Lu, Chunxu; Lin, Qiuhan; Yang, Hongwei","Compounds based on 3-amino-4-(5-methyl-1,2,4-oxadiazol-3-yl)furazan as insensitive energetic materials","New J. Chem.","2017","41","3","1202","","10.1039/C6NJ03333D","","","0.71073","MoKα","","0.0833","0.0455","","","0.0905","0.1052","","","","","","1.036","","","","has coordinates","191714","2020-10-21","18:00:00",""
"7055913","8.0321","0.0008","8.2137","0.0008","10.1222","0.0009","73.271","0.003","80.987","0.003","65.449","0.003","581.19","0.1","172","2","172","2","","","","","","","","4","P -1","-P 1","2","","","","- C6 H10 N10 O4 -","- C6 H10 N10 O4 -","- C12 H20 N20 O8 -","2","1","","Yu, Qiong; Cheng, Guangbin; Ju, Xuehai; Lu, Chunxu; Lin, Qiuhan; Yang, Hongwei","Compounds based on 3-amino-4-(5-methyl-1,2,4-oxadiazol-3-yl)furazan as insensitive energetic materials","New J. Chem.","2017","41","3","1202","","10.1039/C6NJ03333D","","","0.71073","MoKα","","0.0781","0.0426","","","0.0892","0.103","","","","","","1.021","","","","has coordinates","191714","2020-10-21","18:00:00",""
"7055914","24.8882","0.0011","9.1632","0.0004","33.9677","0.0012","90","","101.789","0.004","90","","7583.1","0.6","150","2","150","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C78 H57 Cl4 Fe2 N15 O22 -","- C78 H57 Cl4 Fe2 N15 O22 -","- C312 H228 Cl16 Fe8 N60 O88 -","4","0.5","","Shee, Nirmal K.; Drew, Michael G. B.; Datta, Dipankar","Isolation of a metal-to-ligand charge-transfer (MLCT) state of a tris 1,4-diimine complex of iron in the solid state: X-ray crystal structure and EPR","New J. Chem.","2017","41","2","452","","10.1039/C6NJ02874H","","","0.71073","MoKα","","0.2166","0.0695","","","0.1536","0.2","","","","","","0.832","","","","has coordinates,has disorder","191695","2020-10-21","18:00:00",""
"7055915","8.979","0.0003","15.1223","0.0005","15.7117","0.0008","90","","100.137","0.004","90","","2100.08","0.15","175","","175","","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","1,3-Bis(2,4,6-trimethylphenyl)-4,5-trans-dimethyl]imidazolidinium chloride","","- C23 H31 Cl N2 -","- C23 H31 Cl N2 -","- C92 H124 Cl4 N8 -","4","1","","Beillard, Audrey; Bantreil, Xavier; Métro, Thomas-Xavier; Martinez, Jean; Lamaty, Frédéric","Mechanochemistry for facilitated access to N,N-diaryl NHC metal complexes","New J. Chem.","2017","41","3","1057","","10.1039/C6NJ02895K","","","1.54184","CuKα","","0.0751","0.0678","","0.072","0.0709","0.0709","","","","","","1.0241","","","","has coordinates","191708","2020-10-21","18:00:00",""
"7055916","9.6949","0.0008","16.3365","0.0019","12.523","0.0001","90","","96.097","0.008","90","","1972.2","0.3","298","2","298","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C28 H18 N2 O -","- C28 H18 N2 O -","- C112 H72 N8 O4 -","4","2","","Samanta, Soham; Manna, Utsab; Das, Gopal","White-light emission from simple AIE‒ESIPT-excimer tripled single molecular system","New J. Chem.","2017","41","3","1064","","10.1039/C6NJ03070J","","","0.71073","MoKα","","0.174","0.1277","","","0.3054","0.3615","","","","","","1.189","","","","has coordinates","191709","2020-10-21","18:00:00",""
"7055917","11.974","0.0002","14.1021","0.0002","17.2015","0.0004","102.505","0.0007","101.119","0.0007","106.199","0.0007","2621.9","0.09","150","2","150","2","","","","","","","","8","P -1","-P 1","2","","","","- C112.5 H117 B2 Cl Ni2 O4 P6 S4 -","- C112.5 H117 B2 Cl Ni2 O4 P6 S4 -","- C112.5 H117 B2 Cl Ni2 O4 P6 S4 -","1","0.5","","Yadav, Reena; Singh, Ashish Kumar; Waghadkar, Yogesh; Kociok-Köhn, Gabriele; Kumar, Abhinav; Chauhan, Ratna; Rane, Sunit; Gosavi, Suresh","1,2-Bis(diphenylphosphino)ethane nickel(ii) O,O′-dialkyldithiophosphates as potential precursors for nickel sulfides","New J. Chem.","2017","41","3","1327","","10.1039/C6NJ03186B","","","0.71073","MoKα","","0.066","0.0452","","","0.0963","0.1034","","","","","","1.112","","","","has coordinates","191710","2020-10-21","18:00:00",""
"7055918","9.5117","0.0001","17.2102","0.0002","22.5279","0.0003","90","","100.921","0.0007","90","","3620.99","0.07","150","2","150","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C32 H38 F6 Ni O2 P4 S2 -","- C32 H38 F6 Ni O2 P4 S2 -","- C128 H152 F24 Ni4 O8 P16 S8 -","4","1","","Yadav, Reena; Singh, Ashish Kumar; Waghadkar, Yogesh; Kociok-Köhn, Gabriele; Kumar, Abhinav; Chauhan, Ratna; Rane, Sunit; Gosavi, Suresh","1,2-Bis(diphenylphosphino)ethane nickel(ii) O,O′-dialkyldithiophosphates as potential precursors for nickel sulfides","New J. Chem.","2017","41","3","1327","","10.1039/C6NJ03186B","","","0.71073","MoKα","","0.0802","0.0593","","","0.1291","0.137","","","","","","1.115","","","","has coordinates","191710","2020-10-21","18:00:00",""
"7055919","14.2516","0.0002","18.8126","0.0002","18.1568","0.0003","90","","100.694","0.0006","90","","4783.46","0.12","150","2","150","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C54 H54 B Ni O2 P3 S2 -","- C54 H54 B Ni O2 P3 S2 -","- C216 H216 B4 Ni4 O8 P12 S8 -","4","1","","Yadav, Reena; Singh, Ashish Kumar; Waghadkar, Yogesh; Kociok-Köhn, Gabriele; Kumar, Abhinav; Chauhan, Ratna; Rane, Sunit; Gosavi, Suresh","1,2-Bis(diphenylphosphino)ethane nickel(ii) O,O′-dialkyldithiophosphates as potential precursors for nickel sulfides","New J. Chem.","2017","41","3","1327","","10.1039/C6NJ03186B","","","0.71073","MoKα","","0.0823","0.0454","","","0.0849","0.0965","","","","","","1.035","","","","has coordinates","191710","2020-10-21","18:00:00",""
"7055920","6.8322","0.0002","11.3756","0.0004","12.59","0.0004","79.412","0.002","89.08","0.002","75.553","0.002","930.97","0.05","296","2","296","2","","","","","","","","4","P -1","-P 1","2","","","","- C4 H12 Cu3 N22 -","- C4 H12 Cu3 N22 -","- C8 H24 Cu6 N44 -","2","1","","Zeng, Ying; Liu, Sui-Jun; Liu, Cai-Ming; Xie, Yong-Rong; Du, Zi-Yi","Diversified magnetic behaviors of new nickel(ii) and copper(ii) azido coordination polymers templated by diethyl or triethyl amines","New J. Chem.","2017","41","3","1212","","10.1039/C6NJ03268K","","","0.71073","MoKα","","0.0275","0.0252","","","0.065","0.0666","","","","","","1.014","","","","has coordinates","191712","2020-10-21","18:00:00",""
"7055921","10.404","0.0008","7.9731","0.0006","13.5232","0.001","90","","97.113","0.001","90","","1113.14","0.15","296","2","296","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C6 H16 N8 Ni -","- C6 H16 N8 Ni -","- C24 H64 N32 Ni4 -","4","1","","Zeng, Ying; Liu, Sui-Jun; Liu, Cai-Ming; Xie, Yong-Rong; Du, Zi-Yi","Diversified magnetic behaviors of new nickel(ii) and copper(ii) azido coordination polymers templated by diethyl or triethyl amines","New J. Chem.","2017","41","3","1212","","10.1039/C6NJ03268K","","","0.71073","MoKα","","0.0282","0.0219","","","0.0523","0.0549","","","","","","1.011","","","","has coordinates","191712","2020-10-21","18:00:00",""
"7055922","8.6636","0.0006","11.8031","0.0008","11.9525","0.0008","91.65","0.001","94.884","0.001","91.011","0.001","1217.04","0.14","296","2","296","2","","","","","","","","4","P -1","-P 1","2","","","","- C6 H16 Cu4 N28 -","- C6 H16 Cu4 N28 -","- C12 H32 Cu8 N56 -","2","1","","Zeng, Ying; Liu, Sui-Jun; Liu, Cai-Ming; Xie, Yong-Rong; Du, Zi-Yi","Diversified magnetic behaviors of new nickel(ii) and copper(ii) azido coordination polymers templated by diethyl or triethyl amines","New J. Chem.","2017","41","3","1212","","10.1039/C6NJ03268K","","","0.71073","MoKα","","0.0208","0.0184","","","0.0458","0.0469","","","","","","1.057","","","","has coordinates","191712","2020-10-21","18:00:00",""
"7055923","5.536","0.005","10.628","0.005","11.77","0.005","90","","90","","90","","692.5","0.8","293","2","293","2","","","","","","","","4","P n m a","-P 2ac 2n","62","","","","- H4 Ni O8 V2 -","- H4 Ni O8 V2 -","- H16 Ni4 O32 V8 -","4","0.5","","Li, Ning; Zhang, Zhong; Liu, Yiwei; Lu, Ying; He, Danfeng; Xu, Li; Zhong, Xiahua; Liu, Shuxia","Magnetic and luminescence properties of an inorganic 3D nickel‒vanadium bimetallic framework","New J. Chem.","2017","41","3","1245","","10.1039/C6NJ03413F","","","0.71069","MoKα","","0.0212","0.0205","","","0.0471","0.0475","","","","","","1.008","","","","has coordinates","191713","2020-10-21","18:00:00",""
"7055924","10.406","0.0004","27.2442","0.0009","13.1722","0.0005","90","","102.395","0.001","90","","3647.3","0.2","296","2","296.15","","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C3.52 H2.55 Cd0.36 N0.12 O2.3 Si0.12 -","- C3.51515 H2.54545 Cd0.363636 N0.121212 O2.30303 Si0.121212 -","- C116 H84 Cd12 N4 O76 Si4 -","33","8.25","","Tian, Hong-Rui; Gao, Chao-Ying; Yang, Yang; Ai, Jing; Liu, Chao; Xu, Zhen-Guo; Sun, Zhong-Ming","A microporous Cd-MOF based on a hexavalent silicon-centred connector and luminescence sensing of small molecules","New J. Chem.","2017","41","3","1137","","10.1039/C6NJ03470E","","","0.71073","MoKα","","0.0385","0.0318","","","0.0817","0.0848","","","","","","1.07","","","","has coordinates","191711","2020-10-21","18:00:00",""
"7055925","17.3071","0.0006","17.3071","0.0006","28.5287","0.0012","90","","90","","90","","8545.4","0.6","100","2","100","2","","","","","","","","6","I 4/m","-I 4","87","","","","- C122 H186 Cu2 N24 O43 S13 -","- C104 H88 Cu2 N24 O20 S4 -","- C208 H176 Cu4 N48 O40 S8 -","2","0.125","","Adarsh, N. N.; Chakraborty, Amarnath; Tarrés, Màrius; Dey, Surjendu; Novio, Fernando; Chattopadhyay, Basab; Ribas, Xavi; Ruiz-Molina, Daniel","Ligand and solvent effects in the formation and self-assembly of a metallosupramolecular cage","New J. Chem.","2017","41","3","1179","","10.1039/C6NJ03456J","","","0.71073","MoKα","","0.0787","0.0677","","","0.1993","0.2113","","","","","","0.97","","","","has coordinates","191705","2020-10-21","18:00:00",""
"7055926","14.456","0.005","20.541","0.007","22.843","0.009","73.881","0.009","79.477","0.01","88.62","0.009","6404","4","100","2","100","2","","","","","","","","6","P -1","-P 1","2","","","","- C108 H146 Cu2 N24 O37 S2 -","- C108 Cu2 N24 O29 S2 -","- C216 Cu4 N48 O58 S4 -","2","1","","Adarsh, N. N.; Chakraborty, Amarnath; Tarrés, Màrius; Dey, Surjendu; Novio, Fernando; Chattopadhyay, Basab; Ribas, Xavi; Ruiz-Molina, Daniel","Ligand and solvent effects in the formation and self-assembly of a metallosupramolecular cage","New J. Chem.","2017","41","3","1179","","10.1039/C6NJ03456J","","","0.71073","MoKα","","0.1235","0.0964","","","0.2381","0.2596","","","","","","1.09","","","","has coordinates","191705","2020-10-21","18:00:00",""
"7055927","12.979","0.004","8.793","0.002","16.272","0.005","90","","111.842","0.008","90","","1723.7","0.9","296","2","296","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C32 H32 Cl2 Cu3 N4 O12 -","- C32 H32 Cl2 Cu3 N4 O12 -","- C64 H64 Cl4 Cu6 N8 O24 -","2","0.5","","Das, Sanju; Sarkar, Yeasmin; Majumder, Rini; Mukherjee, Santanu; Bandyopadhyay, Jaya; Ray, Ambarish; Parui, Partha Pratim","A unique cysteine selective water soluble fluorescent probe operable in multiple sensing cycles for the detection of biogenic cysteine in multicellular living species","New J. Chem.","2017","41","4","1488","","10.1039/C6NJ03291E","","","0.71073","MoKα","","0.0439","0.0365","","","0.1074","0.1208","","","","","","1.149","","","","has coordinates","193880","2020-10-21","18:00:00",""
"7055928","15.879","0.003","9.6304","0.0017","17.698","0.003","90","","111.401","0.003","90","","2519.8","0.8","213","2","213","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C24 H29 F3 N2 O3 S -","- C24 H29 F3 N2 O3 S -","- C96 H116 F12 N8 O12 S4 -","4","1","","Zhang, Caiyun; Zhang, Fan; Lv, Shichang; Shi, Min; Zhang, Jun","Facile syntheses of N-heterocyclic carbene precursors through Cu(ii)- or Ag(i)-catalyzed amination of N-alkynyl formamidines","New J. Chem.","2017","41","5","1889","","10.1039/C6NJ03276A","","","0.71073","MoKα","","0.1089","0.0738","","","0.2176","0.2508","","","","","","1.026","","","","has coordinates","193870","2020-10-21","18:00:00",""
"7055929","20.338","0.007","16.179","0.005","21.087","0.007","90","","90","","90","","6939","4","293","2","293","2","","","","","","","","7","P b c a","-P 2ac 2ab","61","","","","- C30 H41 Cl2 F3 N2 O3 S -","- C30 H41 Cl2 F3 N2 O3 S -","- C240 H328 Cl16 F24 N16 O24 S8 -","8","1","","Zhang, Caiyun; Zhang, Fan; Lv, Shichang; Shi, Min; Zhang, Jun","Facile syntheses of N-heterocyclic carbene precursors through Cu(ii)- or Ag(i)-catalyzed amination of N-alkynyl formamidines","New J. Chem.","2017","41","5","1889","","10.1039/C6NJ03276A","","","0.71073","MoKα","","0.1718","0.073","","","0.1881","0.2294","","","","","","0.911","","","","has coordinates","193870","2020-10-21","18:00:00",""
"7055930","11.655","0.005","9.012","0.004","12.686","0.005","90","","115.981","0.004","90","","1197.8","0.9","196","2","196","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","methylpyrrolidinium salicylate","","- C12 H17 N O3 -","- C12 H17 N O3 -","- C48 H68 N4 O12 -","4","1","","Zavgorodnya, Oleksandra; Shamshina, Julia L.; Mittenthal, Max; McCrary, Parker D.; Rachiero, Giovanni P.; Titi, Hatem M.; Rogers, Robin D.","Polyethylene glycol derivatization of the non-active ion in active pharmaceutical ingredient ionic liquids enhances transdermal delivery","New J. Chem.","2017","41","4","1499","","10.1039/C6NJ03709G","","","0.71073","MoKα","","0.0627","0.0506","","","0.1395","0.1509","","","","","","1.037","","","","has coordinates","193875","2020-10-21","18:00:00",""
"7055931","8.2203","0.0003","17.0001","0.0007","21.4579","0.0008","72.425","0.004","85","0.003","84.651","0.003","2840.7","0.2","293","2","293","2","","","","","","","","6","P -1","-P 1","2","","","","- C30 H28 Au Br N2 O4 -","- C30 H28 Au Br N2 O4 -","- C120 H112 Au4 Br4 N8 O16 -","4","2","","Rendón-Nava, David; Mendoza-Espinosa, Daniel; Negrón-Silva, Guillermo E.; Téllez-Arreola, José Luis; Martínez-Torres, Ataúlfo; Valdez-Calderón, Alejandro; González-Montiel, Simplicio","Chrysin functionalized NHC‒Au(i) complexes: synthesis, characterization and effects on the nematode Caenorhabditis elegans","New J. Chem.","2017","41","5","2013","","10.1039/C6NJ03299K","","","1.54178","CuKα","","0.0554","0.0449","","","0.1207","0.1305","","","","","","1.041","","","","has coordinates","193873","2020-10-21","18:00:00",""
"7055932","9.1831","0.0006","10.8161","0.0006","29.4087","0.0015","90","","91.0802","0.0013","90","","2920.5","0.3","293","2","293","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C31 H30 Au Br N2 O4 -","- C31 H30 Au Br N2 O4 -","- C124 H120 Au4 Br4 N8 O16 -","4","1","","Rendón-Nava, David; Mendoza-Espinosa, Daniel; Negrón-Silva, Guillermo E.; Téllez-Arreola, José Luis; Martínez-Torres, Ataúlfo; Valdez-Calderón, Alejandro; González-Montiel, Simplicio","Chrysin functionalized NHC‒Au(i) complexes: synthesis, characterization and effects on the nematode Caenorhabditis elegans","New J. Chem.","2017","41","5","2013","","10.1039/C6NJ03299K","","","1.54178","CuKα","","0.048","0.0419","","","0.1117","0.1169","","","","","","1.083","","","","has coordinates","193873","2020-10-21","18:00:00",""
"7055933","10.7343","0.0006","11.1683","0.0006","14.4997","0.0012","106.064","0.005","102.815","0.005","104.401","0.004","1537.03","0.19","100","2","100","2","","","","","","","","6","P -1","-P 1","2","","","","- C34 H68 Cl14 N6 O12 Ti3 -","- C34 H68 Cl14 N6 O12 Ti3 -","- C34 H68 Cl14 N6 O12 Ti3 -","1","0.5","","Bortoluzzi, Marco; Bresciani, Giulio; Marchetti, Fabio; Pampaloni, Guido; Zacchini, Stefano","Synthesis and structural characterization of mixed halide‒N,N-diethylcarbamates of group 4 metals, including a case of unusual tetrahydrofuran activation","New J. Chem.","2017","41","4","1781","","10.1039/C6NJ03489F","","","0.71073","MoKα","","0.0846","0.0428","","","0.0886","0.1075","","","","","","1.02","","","","has coordinates","193876","2020-10-21","18:00:00",""
"7055934","8.6586","0.0009","13.0597","0.0014","14.2197","0.0015","82.059","0.008","76.615","0.007","78.133","0.007","1523.9","0.3","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","","","- C34 H90 Cl10 N20 Ti -","- C34 H90 Cl10 N20 Ti -","- C34 H90 Cl10 N20 Ti -","1","0.5","","Bortoluzzi, Marco; Bresciani, Giulio; Marchetti, Fabio; Pampaloni, Guido; Zacchini, Stefano","Synthesis and structural characterization of mixed halide‒N,N-diethylcarbamates of group 4 metals, including a case of unusual tetrahydrofuran activation","New J. Chem.","2017","41","4","1781","","10.1039/C6NJ03489F","","","0.71073","MoKα","","0.117","0.0869","","","0.226","0.2456","","","","","","1.106","","","","has coordinates","193876","2020-10-21","18:00:00",""
"7055935","11.5959","0.0012","18.794","0.002","14.538","0.0016","90","","102.888","0.003","90","","3088.5","0.6","100","2","100","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C38 H74 Cl4 Hf4 N6 O18 -","- C38 H74 Cl4 Hf4 N6 O18 -","- C76 H148 Cl8 Hf8 N12 O36 -","2","0.5","","Bortoluzzi, Marco; Bresciani, Giulio; Marchetti, Fabio; Pampaloni, Guido; Zacchini, Stefano","Synthesis and structural characterization of mixed halide‒N,N-diethylcarbamates of group 4 metals, including a case of unusual tetrahydrofuran activation","New J. Chem.","2017","41","4","1781","","10.1039/C6NJ03489F","","","0.71073","MoKα","","0.0935","0.0635","","","0.151","0.1701","","","","","","1.024","","","","has coordinates,has disorder","193876","2020-10-21","18:00:00",""
"7055936","23.112","0.006","9.1","0.002","19.022","0.005","90","","99.852","0.005","90","","3941.7","1.7","100","2","100","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C38 H23 B F24 N2 -","- C38 H23 B F24 N2 -","- C152 H92 B4 F96 N8 -","4","0.5","","Levason, William; Pugh, David; Reid, Gillian","Imidazolium-based ionic liquids with large weakly coordinating anions","New J. Chem.","2017","41","4","1677","","10.1039/C6NJ03674K","","","0.71075","MoKα","","0.0857","0.0769","","","0.2055","0.2144","","","","","","1.043","","","","has coordinates,has disorder","193878","2020-10-21","18:00:00",""
"7055937","23.113","0.015","9.231","0.006","19.075","0.012","90","","100.128","0.011","90","","4006","4","100","2","100","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C39 H25 B F24 N2 -","- C39 H25 B F24 N2 -","- C156 H100 B4 F96 N8 -","4","0.5","","Levason, William; Pugh, David; Reid, Gillian","Imidazolium-based ionic liquids with large weakly coordinating anions","New J. Chem.","2017","41","4","1677","","10.1039/C6NJ03674K","","","0.71075","MoKα","","0.1232","0.0877","","","0.136","0.1516","","","","","","1.171","","","","has coordinates,has disorder","193878","2020-10-21","18:00:00",""
"7055938","18.901","0.009","13.222","0.007","16.877","0.009","90","","97.131","0.01","90","","4185","4","100","2","100","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C42 H31 B F24 N2 -","- C42 H31 B F24 N2 -","- C168 H124 B4 F96 N8 -","4","1","","Levason, William; Pugh, David; Reid, Gillian","Imidazolium-based ionic liquids with large weakly coordinating anions","New J. Chem.","2017","41","4","1677","","10.1039/C6NJ03674K","","","0.71073","MoKα","","0.1188","0.083","","","0.1579","0.1797","","","","","","1.128","","","","has coordinates","193878","2020-10-21","18:00:00",""
"7055939","16.4634","0.001","17.5859","0.001","18.2282","0.0013","110.823","0.008","103.281","0.007","110.957","0.008","4203.9","0.8","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","","","- C41 H32 B F24 N -","- C41 H32 B F24 N -","- C164 H128 B4 F96 N4 -","4","2","","Levason, William; Pugh, David; Reid, Gillian","Imidazolium-based ionic liquids with large weakly coordinating anions","New J. Chem.","2017","41","4","1677","","10.1039/C6NJ03674K","","","0.71075","MoKα","","0.1608","0.0824","","","0.1619","0.1947","","","","","","1.026","","","","has coordinates,has disorder","193878","2020-10-21","18:00:00",""
"7055940","12.2647","0.0005","13.6343","0.0005","14.9811","0.0005","76.854","0.003","75.421","0.003","67.846","0.004","2220.82","0.16","100","2","100","2","","","","","","","","6","P -1","-P 1","2","","","","- C43 H27 B Cl2 F24 N2 -","- C43 H27 B Cl2 F24 N2 -","- C86 H54 B2 Cl4 F48 N4 -","2","1","","Levason, William; Pugh, David; Reid, Gillian","Imidazolium-based ionic liquids with large weakly coordinating anions","New J. Chem.","2017","41","4","1677","","10.1039/C6NJ03674K","","","0.71075","MoKα","","0.0911","0.0729","","","0.2019","0.2187","","","","","","1.019","","","","has coordinates,has disorder","193878","2020-10-21","18:00:00",""
"7055941","18.685","0.003","17.676","0.002","19.68","0.003","90","","118.318","0.002","90","","5722","1.4","100","2","100","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C59 H49 B F24 N2 -","- C59 H49 B F24 N2 -","- C236 H196 B4 F96 N8 -","4","1","","Levason, William; Pugh, David; Reid, Gillian","Imidazolium-based ionic liquids with large weakly coordinating anions","New J. Chem.","2017","41","4","1677","","10.1039/C6NJ03674K","","","0.71075","MoKα","","0.0707","0.0454","","","0.1103","0.1206","","","","","","0.988","","","","has coordinates,has disorder","193878","2020-10-21","18:00:00",""
"7055942","11.724","0.004","15.811","0.005","18.68","0.006","90","","99.958","0.005","90","","3410.5","1.9","100","2","100","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C22 H11 Al F36 N2 O4 -","- C22 H11 Al F36 N2 O4 -","- C88 H44 Al4 F144 N8 O16 -","4","1","","Levason, William; Pugh, David; Reid, Gillian","Imidazolium-based ionic liquids with large weakly coordinating anions","New J. Chem.","2017","41","4","1677","","10.1039/C6NJ03674K","","","0.71075","MoKα","","0.0643","0.0552","","","0.1003","0.104","","","","","","1.201","","","","has coordinates,has disorder","193878","2020-10-21","18:00:00",""
"7055943","9.544","0.005","12.396","0.007","15.641","0.009","88.23","0.02","82.22","0.019","78.052","0.019","1793.7","1.7","100","2","100","2","","","","","","","","6","P -1","-P 1","2","","","","- C23 H13 Al F36 N2 O4 -","- C23 H13 Al F36 N2 O4 -","- C46 H26 Al2 F72 N4 O8 -","2","1","","Levason, William; Pugh, David; Reid, Gillian","Imidazolium-based ionic liquids with large weakly coordinating anions","New J. Chem.","2017","41","4","1677","","10.1039/C6NJ03674K","","","0.71075","MoKα","","0.1015","0.0685","","","0.1262","0.1426","","","","","","1.155","","","","has coordinates,has disorder","193878","2020-10-21","18:00:00",""
"7055944","8.48","0.0017","25.563","0.005","9.97","0.002","90","","99.16","0.03","90","","2133.7","0.8","100","2","100","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C25 H27 N O4 -","- C25 H27 N O4 -","- C100 H108 N4 O16 -","4","1","","Voskressensky, Leonid G.; Titov, Alexander A.; Dzhankaziev, Maksad S.; Borisova, Tatiana N.; Kobzev, Maxim S.; Dorovatovskii, Pavel V.; Khrustalev, Victor N.; Aksenov, Alexander V.; Varlamov, Alexey V.","First synthesis of heterocyclic allenes ‒ benzazecine derivatives","New J. Chem.","2017","41","5","1902","","10.1039/C6NJ03403A","","","0.9699","synchrotron","","0.0594","0.0477","","","0.1247","0.134","","","","","","1.055","","","","has coordinates","193868","2020-10-21","18:00:00",""
"7055945","14.998","0.005","8.7997","0.0004","23.691","0.008","90","","148.87","0.08","90","","1616","4","100","2","100","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C10 H22 N4 O6 Zn -","- C10 H22 N4 O6 Zn -","- C40 H88 N16 O24 Zn4 -","4","1","","Bolotin, Dmitrii S.; Il'in, Mikhail V.; Novikov, Alexander S.; Bokach, Nadezhda A.; Suslonov, Vitalii V.; Kukushkin, Vadim Yu.","Trinuclear (aminonitrone)ZnII complexes as key intermediates in zinc(ii)-mediated generation of 1,2,4-oxadiazoles from amidoximes and nitriles","New J. Chem.","2017","41","5","1940","","10.1039/C6NJ03508F","","","0.71073","MoKα","","0.0266","0.0226","","","0.06","0.0629","","","","","","1.053","","","","has coordinates","193867","2020-10-21","18:00:00",""
"7055946","32.755","0.0017","10.5714","0.0005","13.5063","0.0006","90","","110.305","0.004","90","","4386.2","0.4","100","2","100","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C18 H20 Cl2 N4 O6 Zn -","- C18 H20 Cl2 N4 O6 Zn -","- C144 H160 Cl16 N32 O48 Zn8 -","8","1","","Bolotin, Dmitrii S.; Il'in, Mikhail V.; Novikov, Alexander S.; Bokach, Nadezhda A.; Suslonov, Vitalii V.; Kukushkin, Vadim Yu.","Trinuclear (aminonitrone)ZnII complexes as key intermediates in zinc(ii)-mediated generation of 1,2,4-oxadiazoles from amidoximes and nitriles","New J. Chem.","2017","41","5","1940","","10.1039/C6NJ03508F","","","0.71073","MoKα","","0.0471","0.0402","","","0.1001","0.1039","","","","","","1.08","","","","has coordinates","193867","2020-10-21","18:00:00",""
"7055947","8.7052","0.0005","12.9506","0.0006","17.0474","0.0007","108.023","0.004","90.814","0.004","95.484","0.004","1817.27","0.16","100","2","100","2","","","","","","","","8","P -1","-P 1","2","","","","- C24 H32 Cl2 F6 N8 O9 S2 Zn -","- C24 H32 Cl2 F6 N8 O9 S2 Zn -","- C48 H64 Cl4 F12 N16 O18 S4 Zn2 -","2","1","","Bolotin, Dmitrii S.; Il'in, Mikhail V.; Novikov, Alexander S.; Bokach, Nadezhda A.; Suslonov, Vitalii V.; Kukushkin, Vadim Yu.","Trinuclear (aminonitrone)ZnII complexes as key intermediates in zinc(ii)-mediated generation of 1,2,4-oxadiazoles from amidoximes and nitriles","New J. Chem.","2017","41","5","1940","","10.1039/C6NJ03508F","","","0.71073","MoKα","","0.0688","0.0509","","","0.1203","0.1342","","","","","","1.045","","","","has coordinates","193867","2020-10-21","18:00:00",""
"7055948","16.8415","0.0003","20.4363","0.0004","16.1946","0.0003","90","","90","","90","","5573.82","0.18","100","2","100","2","","","","","","","","7","P n a 21","P 2c -2n","33","","","","- C14 H28 F6 N8 O8 S2 Zn -","- C14 H28 F6 N8 O8 S2 Zn -","- C112 H224 F48 N64 O64 S16 Zn8 -","8","2","","Bolotin, Dmitrii S.; Il'in, Mikhail V.; Novikov, Alexander S.; Bokach, Nadezhda A.; Suslonov, Vitalii V.; Kukushkin, Vadim Yu.","Trinuclear (aminonitrone)ZnII complexes as key intermediates in zinc(ii)-mediated generation of 1,2,4-oxadiazoles from amidoximes and nitriles","New J. Chem.","2017","41","5","1940","","10.1039/C6NJ03508F","","","0.71073","MoKα","","0.0489","0.042","","","0.0983","0.1023","","","","","","1.046","","","","has coordinates,has disorder","193867","2020-10-21","18:00:00",""
"7055949","11.8893","0.0013","18.4419","0.0014","7.2746","0.0007","90","","103.177","0.011","90","","1553","0.3","100","2","100","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C9 H19 F3 N4 O4 S -","- C9 H19 F3 N4 O4 S -","- C36 H76 F12 N16 O16 S4 -","4","1","","Bolotin, Dmitrii S.; Il'in, Mikhail V.; Novikov, Alexander S.; Bokach, Nadezhda A.; Suslonov, Vitalii V.; Kukushkin, Vadim Yu.","Trinuclear (aminonitrone)ZnII complexes as key intermediates in zinc(ii)-mediated generation of 1,2,4-oxadiazoles from amidoximes and nitriles","New J. Chem.","2017","41","5","1940","","10.1039/C6NJ03508F","","","0.71073","MoKα","","0.074","0.0494","","","0.1108","0.1229","","","","","","1.055","","","","has coordinates","193867","2020-10-21","18:00:00",""
"7055950","16.7859","0.0005","8.3599","0.0002","21.9907","0.0005","90","","90.745","0.002","90","","3085.66","0.14","100","2","100","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C11 H15 F3 N4 O4 S -","- C11 H15 F3 N4 O4 S -","- C88 H120 F24 N32 O32 S8 -","8","1","","Bolotin, Dmitrii S.; Il'in, Mikhail V.; Novikov, Alexander S.; Bokach, Nadezhda A.; Suslonov, Vitalii V.; Kukushkin, Vadim Yu.","Trinuclear (aminonitrone)ZnII complexes as key intermediates in zinc(ii)-mediated generation of 1,2,4-oxadiazoles from amidoximes and nitriles","New J. Chem.","2017","41","5","1940","","10.1039/C6NJ03508F","","","1.54184","CuKα","","0.063","0.0569","","","0.1174","0.1223","","","","","","1.032","","","","has coordinates","193867","2020-10-21","18:00:00",""
"7055951","11.955","0.002","17.5685","0.0011","15.782","0.003","90","","139.46","0.04","90","","2154.5","1.8","100","2","100","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C18 H22 N4 O6 Zn -","- C18 H22 N4 O6 Zn -","- C72 H88 N16 O24 Zn4 -","4","1","","Bolotin, Dmitrii S.; Il'in, Mikhail V.; Novikov, Alexander S.; Bokach, Nadezhda A.; Suslonov, Vitalii V.; Kukushkin, Vadim Yu.","Trinuclear (aminonitrone)ZnII complexes as key intermediates in zinc(ii)-mediated generation of 1,2,4-oxadiazoles from amidoximes and nitriles","New J. Chem.","2017","41","5","1940","","10.1039/C6NJ03508F","","","0.71073","MoKα","","0.038","0.0299","","","0.0706","0.0748","","","","","","1.059","","","","has coordinates","193867","2020-10-21","18:00:00",""
"7055952","9.9101","0.0006","17.0394","0.0009","18.2463","0.0006","74.733","0.004","89.846","0.004","82.485","0.005","2945.2","0.3","100","2","100","2","","","","","","","","7","P -1","-P 1","2","","","","- C36 H50 F12 N8 O26 S4 Zn3 -","- C36 H50 F12 N8 O26 S4 Zn3 -","- C72 H100 F24 N16 O52 S8 Zn6 -","2","1","","Bolotin, Dmitrii S.; Il'in, Mikhail V.; Novikov, Alexander S.; Bokach, Nadezhda A.; Suslonov, Vitalii V.; Kukushkin, Vadim Yu.","Trinuclear (aminonitrone)ZnII complexes as key intermediates in zinc(ii)-mediated generation of 1,2,4-oxadiazoles from amidoximes and nitriles","New J. Chem.","2017","41","5","1940","","10.1039/C6NJ03508F","","","1.54184","CuKα","","0.1152","0.0793","","","0.2065","0.2495","","","","","","1.02","","","","has coordinates","193867","2020-10-21","18:00:00",""
"7055953","10.0651","0.0014","12.301","0.0017","16.281","0.002","90","","93.537","0.002","90","","2011.9","0.5","296","2","296","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C18 H15 Cu N5 O8 -","- C18 H15 Cu N5 O8 -","- C72 H60 Cu4 N20 O32 -","4","1","","Hu, Kun; Li, Feiyan; Zhang, Zhong; Liang, Fupei","Synthesis of two potential anticancer copper(ii) complex drugs: their crystal structure, human serum albumin/DNA binding and anticancer mechanism","New J. Chem.","2017","41","5","2062","","10.1039/C6NJ02483A","","","0.71073","MoKα","","0.0432","0.0321","","","0.0864","0.0934","","","","","","1.041","","","","has coordinates,has disorder","193866","2020-10-21","18:00:00",""
"7055954","7.854","0.003","10.712","0.003","21.44","0.007","90","","97.575","0.006","90","","1788","1","296","2","296","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C18 H16 Cu N4 O5 -","- C18 H16 Cu N4 O5 -","- C72 H64 Cu4 N16 O20 -","4","1","","Hu, Kun; Li, Feiyan; Zhang, Zhong; Liang, Fupei","Synthesis of two potential anticancer copper(ii) complex drugs: their crystal structure, human serum albumin/DNA binding and anticancer mechanism","New J. Chem.","2017","41","5","2062","","10.1039/C6NJ02483A","","","0.71073","MoKα","","0.0441","0.0346","","","0.0985","0.1069","","","","","","1.073","","","","has coordinates","193866","2020-10-21","18:00:00",""
"7055955","11.3213","0.0006","11.3226","0.0006","22.7583","0.0012","76.496","0.002","84.96","0.002","60.21","0.001","2460.4","0.2","296","2","296","2","","","","","","","","5","P -1","-P 1","2","","","","- C14 H37 Cu2 N6 O12 -","- C14 H37 Cu2 N6 O12 -","- C56 H148 Cu8 N24 O48 -","4","2","","Sama, Farasha; Ansari, Istikhar A.; Raizada, Mukul; Ahmad, Musheer; Nagaraja, C. M.; Shahid, M.; Kumar, Abhinav; Khan, Kulsum; Siddiqi, Zafar A.","Design, structures and study of non-covalent interactions of mono-, di-, and tetranuclear complexes of a bifurcated quadridentate tripod ligand, N-(aminopropyl)-diethanolamine","New J. Chem.","2017","41","5","1959","","10.1039/C6NJ02562E","","","0.71073","MoKα","","0.0363","0.0335","","","0.0828","0.0845","","","","","","1.0562","","","","has coordinates","193869","2020-10-21","18:00:00",""
"7055956","16.48","0.0012","13.6513","0.001","14.4161","0.001","90","","115.185","0.002","90","","2934.9","0.4","296","2","296","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C9 H19 N4 Ni O2.5 S2 -","- C9 H19 N4 Ni O2.5 S2 -","- C72 H152 N32 Ni8 O20 S16 -","8","2","","Sama, Farasha; Ansari, Istikhar A.; Raizada, Mukul; Ahmad, Musheer; Nagaraja, C. M.; Shahid, M.; Kumar, Abhinav; Khan, Kulsum; Siddiqi, Zafar A.","Design, structures and study of non-covalent interactions of mono-, di-, and tetranuclear complexes of a bifurcated quadridentate tripod ligand, N-(aminopropyl)-diethanolamine","New J. Chem.","2017","41","5","1959","","10.1039/C6NJ02562E","","","0.71073","MoKα","","0.1126","0.0545","","","0.0902","0.1081","","","","","","1.0759","","","","has coordinates","193869","2020-10-21","18:00:00",""
"7055957","8.6719","0.0007","10.0649","0.0007","11.3026","0.0007","89.096","0.005","79.802","0.006","65.87","0.007","884.33","0.12","296","2","296","2","","","","","","","","6","P -1","-P 1","2","","","","- C11 H23 N3 O5 S Zn2 -","- C11 H23 N3 O5 S Zn2 -","- C22 H46 N6 O10 S2 Zn4 -","2","1","","Sama, Farasha; Ansari, Istikhar A.; Raizada, Mukul; Ahmad, Musheer; Nagaraja, C. M.; Shahid, M.; Kumar, Abhinav; Khan, Kulsum; Siddiqi, Zafar A.","Design, structures and study of non-covalent interactions of mono-, di-, and tetranuclear complexes of a bifurcated quadridentate tripod ligand, N-(aminopropyl)-diethanolamine","New J. Chem.","2017","41","5","1959","","10.1039/C6NJ02562E","","","0.71073","MoKα","","0.0534","0.041","","","0.0964","0.1062","","","","","","1.0465","","","","has coordinates","193869","2020-10-21","18:00:00",""
"7055958","15.2182","0.0003","14.6493","0.0003","23.9361","0.0005","90","","90","","90","","5336.22","0.19","296","2","296.15","","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C14 H39 Co2 N7 O16 -","- C14 H39 Co2 N7 O16 -","- C112 H312 Co16 N56 O128 -","8","1","","Sama, Farasha; Ansari, Istikhar A.; Raizada, Mukul; Ahmad, Musheer; Nagaraja, C. M.; Shahid, M.; Kumar, Abhinav; Khan, Kulsum; Siddiqi, Zafar A.","Design, structures and study of non-covalent interactions of mono-, di-, and tetranuclear complexes of a bifurcated quadridentate tripod ligand, N-(aminopropyl)-diethanolamine","New J. Chem.","2017","41","5","1959","","10.1039/C6NJ02562E","","","0.71073","MoKα","","0.0496","0.0348","","","0.0829","0.0916","","","","","","1.046","","","","has coordinates","193869","2020-10-21","18:00:00",""
"7055959","8.795","0.0008","12.132","0.002","14.2294","0.0015","103.245","0.011","96.276","0.008","111.032","0.012","1348.4","0.3","296","2","296","2","","","","","","","","6","P -1","-P 1","2","","","","- C16 H36 Co2 N7 O8.5 S2 -","- C16 H36 Co2 N7 O8.5 S2 -","- C32 H72 Co4 N14 O17 S4 -","2","1","","Sama, Farasha; Ansari, Istikhar A.; Raizada, Mukul; Ahmad, Musheer; Nagaraja, C. M.; Shahid, M.; Kumar, Abhinav; Khan, Kulsum; Siddiqi, Zafar A.","Design, structures and study of non-covalent interactions of mono-, di-, and tetranuclear complexes of a bifurcated quadridentate tripod ligand, N-(aminopropyl)-diethanolamine","New J. Chem.","2017","41","5","1959","","10.1039/C6NJ02562E","","","0.71073","MoKα","","0.0868","0.0577","","","0.1467","0.175","","","","","","1.0777","","","","has coordinates","193869","2020-10-21","18:00:00",""
"7055960","7.0886","0.0003","11.8816","0.0006","32.9373","0.0017","90","","90","","90","","2774.1","0.2","123","2","123","2","","","","","","","","7","P b c a","-P 2ac 2ab","61","","","","- C12 H13 Ag0.87 N2 Na0.13 O6 S -","- C12 H13 Ag0.867 N2 Na0.133 O6 S -","- C96 H104 Ag6.936 N16 Na1.064 O48 S8 -","8","1","","Dodds, Christopher A.; Hobday, Claire L.; Kennedy, Alan R.; McKellar, Scott C.; Smillie, Katy; Walls, Aiden","Ag(i) bipyridyl coordination polymers containing functional anions","New J. Chem.","2017","41","4","1574","","10.1039/C6NJ03555H","","","0.71073","MoKα","","0.0582","0.0319","","","0.0528","0.0599","","","","","","1.02","","","","has coordinates","193879","2020-10-21","18:00:00",""
"7055961","8.3838","0.0002","9.7225","0.0003","14.934","0.0004","90","","94.352","0.002","90","","1213.78","0.06","123","2","123","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C12 H9 Ag N2 O4 S -","- C12 H9 Ag N2 O4 S -","- C48 H36 Ag4 N8 O16 S4 -","4","1","","Dodds, Christopher A.; Hobday, Claire L.; Kennedy, Alan R.; McKellar, Scott C.; Smillie, Katy; Walls, Aiden","Ag(i) bipyridyl coordination polymers containing functional anions","New J. Chem.","2017","41","4","1574","","10.1039/C6NJ03555H","","","0.71073","MoKα","","0.0326","0.0229","","","0.0456","0.0485","","","","","","1.067","","","","has coordinates","193879","2020-10-21","18:00:00",""
"7055962","13.3362","0.0006","16.5265","0.0008","20.1331","0.0007","66.518","0.004","75.035","0.003","89.409","0.004","3910.3","0.3","100","2","100","2","","","","","","","","6","P -1","-P 1","2","","","","- C42 H35 Ag Cl4 N6 O4 -","- C42 H35 Ag Cl4 N6 O4 -","- C168 H140 Ag4 Cl16 N24 O16 -","4","2","","Dodds, Christopher A.; Hobday, Claire L.; Kennedy, Alan R.; McKellar, Scott C.; Smillie, Katy; Walls, Aiden","Ag(i) bipyridyl coordination polymers containing functional anions","New J. Chem.","2017","41","4","1574","","10.1039/C6NJ03555H","","","0.71075","MoKα","","0.077","0.0451","","","0.0938","0.1053","","","","","","1.017","","","","has coordinates","193879","2020-10-21","18:00:00",""
"7055963","8.12","0.0006","9.7869","0.0006","21.6736","0.0016","90","","97.433","0.007","90","","1707.9","0.2","123","2","123","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C19 H15 Ag N4 O3 -","- C19 H15 Ag N4 O3 -","- C76 H60 Ag4 N16 O12 -","4","1","","Dodds, Christopher A.; Hobday, Claire L.; Kennedy, Alan R.; McKellar, Scott C.; Smillie, Katy; Walls, Aiden","Ag(i) bipyridyl coordination polymers containing functional anions","New J. Chem.","2017","41","4","1574","","10.1039/C6NJ03555H","","","0.71073","MoKα","","0.0339","0.0285","","","0.0664","0.0693","","","","","","1.051","","","","has coordinates","193879","2020-10-21","18:00:00",""
"7055964","11.1773","0.0004","11.6004","0.0004","12.188","0.0004","81.629","0.002","73.899","0.002","70.341","0.002","1427.43","0.09","120","2","120","2","","","","","","","","7","P -1","-P 1","2","","","","- C27.5 H25.5 Ag Cl0.99 N6.51 O4 S -","- C27.507 H23.986 Ag Cl0.986 N6.507 O4 S -","- C55.014 H47.972 Ag2 Cl1.972 N13.014 O8 S2 -","2","1","","Dodds, Christopher A.; Hobday, Claire L.; Kennedy, Alan R.; McKellar, Scott C.; Smillie, Katy; Walls, Aiden","Ag(i) bipyridyl coordination polymers containing functional anions","New J. Chem.","2017","41","4","1574","","10.1039/C6NJ03555H","","","0.71073","MoKα","","0.0624","0.0392","","","0.0831","0.0917","","","","","","1.035","","","","has coordinates,has disorder","193879","2020-10-21","18:00:00",""
"7055965","7.1538","0.0005","12.9587","0.0015","13.2859","0.0014","67.835","0.01","82.451","0.007","76.606","0.008","1108.3","0.2","123","2","123","2","","","","","","","","5","P -1","-P 1","2","","","","- C25 H19 Ag N6 O3 -","- C25 H19 Ag N6 O3 -","- C50 H38 Ag2 N12 O6 -","2","1","","Dodds, Christopher A.; Hobday, Claire L.; Kennedy, Alan R.; McKellar, Scott C.; Smillie, Katy; Walls, Aiden","Ag(i) bipyridyl coordination polymers containing functional anions","New J. Chem.","2017","41","4","1574","","10.1039/C6NJ03555H","","","1.5418","CuKα","","0.1149","0.1044","","","0.2873","0.2934","","","","","","1.066","","","","has coordinates","193879","2020-10-21","18:00:00",""
"7055966","6.8116","0.0001","13.5608","0.0002","28.7557","0.0006","95.438","0.002","95.833","0.002","96.716","0.002","2608.96","0.08","100","2","100","2","","","","","","","","6","P -1","-P 1","2","","","","- C26.64 H21.14 Ag Cl2.72 N5.14 O2 -","- C26.6375 H21.1375 Ag Cl2.725 N5.1375 O2 -","- C106.55 H84.55 Ag4 Cl10.9 N20.55 O8 -","4","2","","Dodds, Christopher A.; Hobday, Claire L.; Kennedy, Alan R.; McKellar, Scott C.; Smillie, Katy; Walls, Aiden","Ag(i) bipyridyl coordination polymers containing functional anions","New J. Chem.","2017","41","4","1574","","10.1039/C6NJ03555H","","","0.71075","MoKα","","0.0304","0.0247","","","0.0546","0.0567","","","","","","1.049","","","","has coordinates,has disorder","193879","2020-10-21","18:00:00",""
"7055967","7.1227","0.0003","11.9399","0.0002","32.5608","0.0009","90","","90","","90","","2769.11","0.15","150","2","150","2","","","","","","","","6","P b c a","-P 2ac 2ab","61","","","","- C12 H13 N2 Na O6 S -","- C12 H13 N2 Na O6 S -","- C96 H104 N16 Na8 O48 S8 -","8","1","","Dodds, Christopher A.; Hobday, Claire L.; Kennedy, Alan R.; McKellar, Scott C.; Smillie, Katy; Walls, Aiden","Ag(i) bipyridyl coordination polymers containing functional anions","New J. Chem.","2017","41","4","1574","","10.1039/C6NJ03555H","","","0.71073","MoKα","","0.1145","0.0473","","","0.0911","0.1052","","","","","","0.991","","","","has coordinates","193879","2020-10-21","18:00:00",""
"7055968","10.0038","0.0005","13.377","0.0007","14.2918","0.0008","71.64","0.003","78.179","0.003","78.327","0.003","1757.03","0.16","123","2","123","2","","","","","","","","5","P -1","-P 1","2","","","","- C19 H15 Ag N4 O3 -","- C19 H15 Ag N4 O3 -","- C76 H60 Ag4 N16 O12 -","4","2","","Dodds, Christopher A.; Hobday, Claire L.; Kennedy, Alan R.; McKellar, Scott C.; Smillie, Katy; Walls, Aiden","Ag(i) bipyridyl coordination polymers containing functional anions","New J. Chem.","2017","41","4","1574","","10.1039/C6NJ03555H","","","0.71073","MoKα","","0.1301","0.0635","","","0.1258","0.1439","","","","","","0.982","","","","has coordinates","193879","2020-10-21","18:00:00",""
"7055969","7.1356","0.0005","14.0212","0.0011","15.4526","0.0009","109.697","0.004","101.688","0.003","98.473","0.003","1385.86","0.17","120","2","120","2","","","","","","","","6","P -1","-P 1","2","","","","- C28 H26 Ag N7 O4 S -","- C28 H26 Ag N7 O4 S -","- C56 H52 Ag2 N14 O8 S2 -","2","1","","Dodds, Christopher A.; Hobday, Claire L.; Kennedy, Alan R.; McKellar, Scott C.; Smillie, Katy; Walls, Aiden","Ag(i) bipyridyl coordination polymers containing functional anions","New J. Chem.","2017","41","4","1574","","10.1039/C6NJ03555H","","","0.71073","MoKα","","0.1008","0.0567","","","0.0841","0.0932","","","","","","1.052","","","","has coordinates","193879","2020-10-21","18:00:00",""
"7055970","6.7135","0.0006","6.7702","0.0006","8.1378","0.0007","80.267","0.003","76.307","0.003","74.335","0.003","343.82","0.05","173","2","173","2","","","","","","","","4","P -1","-P 1","2","","","","- C6 H8 N10 O10 -","- C6 H8 N10 O10 -","- C6 H8 N10 O10 -","1","0.5","","Tian, Jiawei; Xiong, Hualin; Lin, Qiuhan; Cheng, Guangbin; Yang, Hongwei","Energetic compounds featuring bi(1,3,4-oxadiazole): a new family of insensitive energetic materials","New J. Chem.","2017","41","5","1918","","10.1039/C6NJ03608B","","","0.71073","MoKα","","0.0476","0.0338","","","0.0801","0.0855","","","","","","1.083","","","","has coordinates","193871","2020-10-21","18:00:00",""
"7055971","24.125","0.003","8.0141","0.001","10.8158","0.0011","90","","90","","90","","2091.1","0.4","168","2","168","2","","","","","","","","4","P b c n","-P 2n 2ab","60","","","","- C8 H16 N18 O10 -","- C8 H16 N18 O10 -","- C32 H64 N72 O40 -","4","0.5","","Tian, Jiawei; Xiong, Hualin; Lin, Qiuhan; Cheng, Guangbin; Yang, Hongwei","Energetic compounds featuring bi(1,3,4-oxadiazole): a new family of insensitive energetic materials","New J. Chem.","2017","41","5","1918","","10.1039/C6NJ03608B","","","0.71073","MoKα","","0.1018","0.0415","","","0.0846","0.1026","","","","","","1.016","","","","has coordinates","193871","2020-10-21","18:00:00",""
"7055972","7.6518","0.0012","7.7243","0.001","9.0083","0.0012","95.49","0.004","106.941","0.004","117.039","0.004","437.09","0.11","173","2","173","2","","","","","","","","4","P -1","-P 1","2","","","","- C10 H8 N14 O10 -","- C10 H8 N14 O10 -","- C10 H8 N14 O10 -","1","0.5","","Tian, Jiawei; Xiong, Hualin; Lin, Qiuhan; Cheng, Guangbin; Yang, Hongwei","Energetic compounds featuring bi(1,3,4-oxadiazole): a new family of insensitive energetic materials","New J. Chem.","2017","41","5","1918","","10.1039/C6NJ03608B","","","0.71073","MoKα","","0.0911","0.0441","","","0.083","0.0973","","","","","","1.011","","","","has coordinates","193871","2020-10-21","18:00:00",""
"7055973","9.8239","0.001","11.5351","0.0012","12.3691","0.0013","91.417","0.002","102.778","0.002","96.494","0.002","1356.4","0.2","293","2","293","2","","","","","","","","6","P -1","-P 1","2","","","","- C14 H22 Mo4 N6 O17 Zn -","- C14 H22 Mo4 N6 O17 Zn -","- C28 H44 Mo8 N12 O34 Zn2 -","2","1","","Wang, Xiu-Li; Zhang, Shan; Wang, Xiang; Zhang, Hui-Xiu; Xu, Na; Li, Tian-Jiao","Three β-octamolybdate-based supramolecular hybrids constructed from a bis-imidazolyl-bis-amide ligand: fast and selective adsorption activities of organic dyes","New J. Chem.","2017","41","5","2178","","10.1039/C6NJ03573F","","","0.71073","MoKα","","0.0817","0.0401","","","0.0779","0.091","","","","","","0.989","","","","has coordinates","193864","2020-10-21","18:00:00",""
"7055974","9.8153","0.0005","11.6524","0.0006","12.3272","0.0006","90.58","0.001","103.212","0.001","97.069","0.001","1361.06","0.12","293","2","293","2","","","","","","","","6","P -1","-P 1","2","","","","- C14 H22 Co Mo4 N6 O17 -","- C14 H20 Co Mo4 N6 O17 -","- C28 H40 Co2 Mo8 N12 O34 -","2","1","","Wang, Xiu-Li; Zhang, Shan; Wang, Xiang; Zhang, Hui-Xiu; Xu, Na; Li, Tian-Jiao","Three β-octamolybdate-based supramolecular hybrids constructed from a bis-imidazolyl-bis-amide ligand: fast and selective adsorption activities of organic dyes","New J. Chem.","2017","41","5","2178","","10.1039/C6NJ03573F","","","0.71073","MoKα","","0.0272","0.0228","","","0.0632","0.0652","","","","","","1.072","","","","has coordinates","193864","2020-10-21","18:00:00",""
"7055975","10.4739","0.0008","24.6254","0.0018","21.3617","0.0016","90","","90.085","0.001","90","","5509.7","0.7","293","2","293","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C28 H46 Cu2 Mo8 N12 O35 -","- C28 H35 Cu2 Mo8 N12 O35 -","- C112 H140 Cu8 Mo32 N48 O140 -","4","1","","Wang, Xiu-Li; Zhang, Shan; Wang, Xiang; Zhang, Hui-Xiu; Xu, Na; Li, Tian-Jiao","Three β-octamolybdate-based supramolecular hybrids constructed from a bis-imidazolyl-bis-amide ligand: fast and selective adsorption activities of organic dyes","New J. Chem.","2017","41","5","2178","","10.1039/C6NJ03573F","","","0.71069","MoKα","","0.0797","0.0421","","","0.0809","0.0972","","","","","","0.968","","","","has coordinates","193864","2020-10-21","18:00:00",""
"7055976","23.654","0.006","8.738","0.002","8.595","0.002","90","","90","","90","","1776.5","0.7","296","2","296","2","","","","","","","","7","P b c n","-P 2n 2ab","60","","","","- C10 H16 Br2 Cl3 Fe N4 O -","- C10 H16 Br2 Cl3 Fe N4 O -","- C40 H64 Br8 Cl12 Fe4 N16 O4 -","4","0.5","","Govor, Evgen V.; Sanakis, Yiannis; Raptis, Raphael G.","Synthesis of pyrazole (hemi)aminals via the cleavage of saturated aliphatic ether C‒O bonds in the presence of ferric halides","New J. Chem.","2017","41","6","2220","","10.1039/C6NJ03822K","","","0.71073","MoKα","","0.0448","0.031","","","0.082","0.0889","","","","","","1.066","","","","has coordinates","195156","2020-10-21","18:00:00",""
"7055977","19.167","0.017","19.167","0.017","16.153","0.015","90","","90","","90","","5934","9","296","2","296","2","","","","","","","","7","I 41/a :2","-I 4ad","88","","","","- C24 H28 Br8 Cl16 Fe2 N8 O -","- C24 H28 Br8 Cl16 Fe2 N8 O -","- C96 H112 Br32 Cl64 Fe8 N32 O4 -","4","0.25","","Govor, Evgen V.; Sanakis, Yiannis; Raptis, Raphael G.","Synthesis of pyrazole (hemi)aminals via the cleavage of saturated aliphatic ether C‒O bonds in the presence of ferric halides","New J. Chem.","2017","41","6","2220","","10.1039/C6NJ03822K","","","0.71073","MoKα","","0.116","0.063","","","0.1668","0.2057","","","","","","1.004","","","","has coordinates","195156","2020-10-21","18:00:00",""
"7055978","8.5983","0.0015","20.475","0.004","14.989","0.003","90","","100.778","0.002","90","","2592.3","0.9","296","2","296","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C16 H24 Cl6 Fe2 N4 O2 -","- C16 H24 Cl6 Fe2 N4 O2 -","- C64 H96 Cl24 Fe8 N16 O8 -","4","0.5","","Govor, Evgen V.; Sanakis, Yiannis; Raptis, Raphael G.","Synthesis of pyrazole (hemi)aminals via the cleavage of saturated aliphatic ether C‒O bonds in the presence of ferric halides","New J. Chem.","2017","41","6","2220","","10.1039/C6NJ03822K","","","0.71073","MoKα","","0.0353","0.029","","","0.0693","0.0725","","","","","","1.023","","","","has coordinates","195156","2020-10-21","18:00:00",""
"7055979","8.595","0.0006","9.6865","0.0007","15.7769","0.0011","90","","99.35","0.001","90","","1296.06","0.16","296","2","296","2","","","","","","","","7","P 1 2/n 1","-P 2yac","13","","","","- C14 H20 Cl4 Fe2 I2 N4 O2 -","- C14 H20 Cl4 Fe2 I2 N4 O2 -","- C28 H40 Cl8 Fe4 I4 N8 O4 -","2","0.5","","Govor, Evgen V.; Sanakis, Yiannis; Raptis, Raphael G.","Synthesis of pyrazole (hemi)aminals via the cleavage of saturated aliphatic ether C‒O bonds in the presence of ferric halides","New J. Chem.","2017","41","6","2220","","10.1039/C6NJ03822K","","","0.71073","MoKα","","0.0481","0.0324","","","0.0813","0.0906","","","","","","1.026","","","","has coordinates","195156","2020-10-21","18:00:00",""
"7055980","8.6395","0.0006","9.7711","0.0007","15.8621","0.0011","90","","103.665","0.001","90","","1301.13","0.16","296","2","296","2","","","","","","","","6","P 1 2/n 1","-P 2yac","13","","","","- C14 H20 Br6 Fe2 N4 O2 -","- C14 H20 Br6 Fe2 N4 O2 -","- C28 H40 Br12 Fe4 N8 O4 -","2","0.5","","Govor, Evgen V.; Sanakis, Yiannis; Raptis, Raphael G.","Synthesis of pyrazole (hemi)aminals via the cleavage of saturated aliphatic ether C‒O bonds in the presence of ferric halides","New J. Chem.","2017","41","6","2220","","10.1039/C6NJ03822K","","","0.71073","MoKα","","0.0556","0.0341","","","0.0705","0.0784","","","","","","1.009","","","","has coordinates","195156","2020-10-21","18:00:00",""
"7055981","12.1777","0.0013","8.7316","0.0009","17.3452","0.0018","90","","92.407","0.001","90","","1842.7","0.3","296","2","296","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C12 H16 Br2 Cl2 Fe N4 -","- C12 H16 Br2 Cl2 Fe N4 -","- C48 H64 Br8 Cl8 Fe4 N16 -","4","1","","Govor, Evgen V.; Sanakis, Yiannis; Raptis, Raphael G.","Synthesis of pyrazole (hemi)aminals via the cleavage of saturated aliphatic ether C‒O bonds in the presence of ferric halides","New J. Chem.","2017","41","6","2220","","10.1039/C6NJ03822K","","","0.71073","MoKα","","0.0565","0.0412","","","0.0952","0.1018","","","","","","1.046","","","","has coordinates","195156","2020-10-21","18:00:00",""
"7055982","12.247","0.004","8.932","0.003","17.42","0.005","90","","91.93","0.003","90","","1904.5","1","296","2","296","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C12 H16 Br4 Fe N4 -","- C12 H16 Br4 Fe N4 -","- C48 H64 Br16 Fe4 N16 -","4","1","","Govor, Evgen V.; Sanakis, Yiannis; Raptis, Raphael G.","Synthesis of pyrazole (hemi)aminals via the cleavage of saturated aliphatic ether C‒O bonds in the presence of ferric halides","New J. Chem.","2017","41","6","2220","","10.1039/C6NJ03822K","","","0.71073","MoKα","","0.0564","0.0426","","","0.0977","0.1049","","","","","","1.036","","","","has coordinates","195156","2020-10-21","18:00:00",""
"7055983","24.487","0.003","8.7651","0.001","8.5302","0.001","90","","110.281","0.003","90","","1717.3","0.4","298","","298","","","","","","","","","6","C 1 2/c 1","-C 2yc","15","EVG042","","","- C10 H16 Cl5 Fe N4 O -","- C10 H16 Cl5 Fe N4 O -","- C40 H64 Cl20 Fe4 N16 O4 -","4","0.5","","Govor, Evgen V.; Sanakis, Yiannis; Raptis, Raphael G.","Synthesis of pyrazole (hemi)aminals via the cleavage of saturated aliphatic ether C‒O bonds in the presence of ferric halides","New J. Chem.","2017","41","6","2220","","10.1039/C6NJ03822K","","","0.71073","MoKα","","0.0503","0.0428","","","0.0848","0.0889","","","","","","1.239","","","","has coordinates","195156","2020-10-21","18:00:00",""
"7055984","7.1985","0.001","11.4552","0.0016","14.805","0.002","78.169","0.005","81.599","0.005","88.276","0.004","1182.1","0.3","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","","","- C30 H25 B F2 N2 -","- C30 H25 B F2 N2 -","- C60 H50 B2 F4 N4 -","2","1","","Maity, Apurba; Sarkar, Anirban; Sil, Amit; B. N., Shivakiran Bhaktha; Patra, Sanjib K.","Synthesis, photophysical and concentration-dependent tunable lasing behavior of 2,6-diacetylenyl-functionalized BODIPY dyes","New J. Chem.","2017","41","6","2296","","10.1039/C6NJ03033E","","","0.71073","MoKα","","0.1355","0.0593","","","0.1379","0.1773","","","","","","1.368","","","","has coordinates","195152","2020-10-21","18:00:00",""
"7055985","9.666","0.007","9.761","0.006","14.448","0.011","104.97","0.05","108.43","0.05","91.04","0.06","1241.9","1.6","150","2","150","2","","","","","","","","5","P -1","-P 1","2","","","","- C21 H36 N6 O5 S -","- C21 H36 N6 O5 S -","- C42 H72 N12 O10 S2 -","2","1","","Ke, Ya-Ting; Chou, Wei-Tzu; Chiang, Yi-Fen; Hsieh, Chang-Chih; Horng, Yih-Chern","Efficient and selective separation of aqueous sulfate through recognition and precipitation","New J. Chem.","2017","41","6","2249","","10.1039/C6NJ03710K","","","0.71073","MoKα","","0.1682","0.0624","","","0.1818","0.2251","","","","","","0.957","","","","has coordinates","195153","2020-10-21","18:00:00",""
"7055986","12.605","0.003","16.671","0.004","13.147","0.003","90","","99.243","0.013","90","","2726.8","1.1","150","2","150","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C27 H37 N7 O2 -","- C27 H37 N7 O2 -","- C108 H148 N28 O8 -","4","1","","Ke, Ya-Ting; Chou, Wei-Tzu; Chiang, Yi-Fen; Hsieh, Chang-Chih; Horng, Yih-Chern","Efficient and selective separation of aqueous sulfate through recognition and precipitation","New J. Chem.","2017","41","6","2249","","10.1039/C6NJ03710K","","","0.71073","MoKα","","0.089","0.0478","","","0.1331","0.1654","","","","","","0.941","","","","has coordinates","195153","2020-10-21","18:00:00",""
"7055987","23.541","0.004","23.541","0.004","59.81","0.03","90","","90","","120","","28705","16","150","2","150","2","","","","","","","","5","R -3 c :H","-R 3 2""c","167","","","","- C50 H72 N14 O6 S -","- C50 H72 N14 O6 S -","- C900 H1296 N252 O108 S18 -","18","0.5","","Ke, Ya-Ting; Chou, Wei-Tzu; Chiang, Yi-Fen; Hsieh, Chang-Chih; Horng, Yih-Chern","Efficient and selective separation of aqueous sulfate through recognition and precipitation","New J. Chem.","2017","41","6","2249","","10.1039/C6NJ03710K","","","0.71073","MoKα","","0.1417","0.1019","","","0.2621","0.2863","","","","","","0.849","","","","has coordinates","195153","2020-10-21","18:00:00",""
"7055988","11.8851","0.001","12.1025","0.001","21.045","0.0013","82.412","0.007","76.788","0.007","60.595","0.009","2566.6","0.4","294.44","0.1","294.44","0.1","","","","","","","","4","P -1","-P 1","2","","","","- C51 H60 Br2 O10 -","- C51 H60 Br2 O10 -","- C102 H120 Br4 O20 -","2","1","","Chen, Jin-Fa; Cheng, Xiao-Bin; Li, Hui; Lin, Qi; Yao, Hong; Zhang, You-Ming; Wei, Tai-Bao","A copillar[5]arene-based fluorescence “on‒off‒on” sensor is applied in sequential recognition of an iron cation and a fluoride anion","New J. Chem.","2017","41","5","2148","","10.1039/C6NJ03380F","","x-ray","0.71073","MoKα","","0.1668","0.1136","","","0.2945","0.3222","","","","","","1.067","","","","has coordinates","193865","2020-10-21","18:00:00",""
"7055989","8.3886","0.0007","9.0069","0.0008","14.5283","0.0013","76.634","0.008","89.729","0.007","64.661","0.008","959.66","0.17","295","2","295","2","","","","","","","","3","P 1","P 1","1","","","","- C53 H36 Br2 -","- C53 H36 Br2 -","- C53 H36 Br2 -","1","1","","Khasanov, Albert F.; Kopchuk, Dmitry S.; Kovalev, Igor S.; Taniya, Olga S.; Giri, Kousik; Slepukhin, Pavel A.; Santra, Sougata; Rahman, Matiur; Majee, Adinath; Charushin, Valery N.; Chupakhin, Oleg N.","Extended cavity pyrene-based iptycenes for the turn-off fluorescence detection of RDX and common nitroaromatic explosives","New J. Chem.","2017","41","6","2309","","10.1039/C6NJ02956F","","","0.7107","MoKα","","0.0751","0.0509","","","0.1305","0.1536","","","","","","1.006","","","","has coordinates","195150","2020-10-21","18:00:00",""
"7055990","13.0874","0.0006","15.5471","0.0012","22.686","0.002","70.666","0.007","88.978","0.008","67.069","0.006","3978.5","0.6","150","2","150","2","","","","","","","","5","P -1","-P 1","2","","","","- C221 H140 Br8 N4 O8 -","- C221 H140 Br8 N4 O8 -","- C221 H140 Br8 N4 O8 -","1","0.5","","Khasanov, Albert F.; Kopchuk, Dmitry S.; Kovalev, Igor S.; Taniya, Olga S.; Giri, Kousik; Slepukhin, Pavel A.; Santra, Sougata; Rahman, Matiur; Majee, Adinath; Charushin, Valery N.; Chupakhin, Oleg N.","Extended cavity pyrene-based iptycenes for the turn-off fluorescence detection of RDX and common nitroaromatic explosives","New J. Chem.","2017","41","6","2309","","10.1039/C6NJ02956F","","","0.71073","MoKα","","0.1166","0.0479","","","0.0963","0.1024","","","","","","1.019","","","","has coordinates,has disorder","195150","2020-10-21","18:00:00",""
"7055991","10.6582","0.0012","11.7546","0.0012","15.703","0.0018","86.775","0.004","82.638","0.003","84.317","0.005","1939.6","0.4","173.15","","173.15","","","","","","","","","6","P -1","-P 1","2","","","","- C70 H108 Al2 Cl6 N4 O4 -","- C70 H108 Al2 Cl6 N4 O4 -","- C70 H108 Al2 Cl6 N4 O4 -","1","0.5","","Zhang, Jie; Liu, Shaofeng; Zuo, Weiwei; Ye, Hongqi; Li, Zhibo","Synthesis of dinuclear aluminum complexes bearing bis-phenolate ligand and application in ring-opening polymerization of ε-caprolactone","New J. Chem.","2017","41","6","2358","","10.1039/C6NJ03818B","","","0.71073","MoKα","","0.0729","0.0692","","","0.1865","0.19","","","","","","1.071","","","","has coordinates,has disorder","195151","2020-10-21","18:00:00",""
"7055992","22.5443","0.0001","12.9305","0.0001","25.5225","0.0001","90","","93.527","0.003","90","","7425.95","0.08","150","2","150","2","","","","","","","","6","I 1 2/a 1","-I 2ya","15","","","","- C38 H58 Al Cl N2 O2 -","- C38 H58 Al Cl N2 O2 -","- C304 H464 Al8 Cl8 N16 O16 -","8","1","","Beament, James; Mahon, Mary F.; Buchard, Antoine; Jones, Matthew D.","Salan group 13 complexes ‒ structural study and lactide polymerisation","New J. Chem.","2017","41","5","2198","","10.1039/C6NJ03844A","","","1.54184","CuKα","","0.0385","0.0377","","","0.0967","0.0974","","","","","","1.021","","","","has coordinates,has disorder","193874","2020-10-21","18:00:00",""
"7055993","22.4184","0.0001","12.9111","0.0001","25.8038","0.0001","90","","93.354","0.001","90","","7456.02","0.07","150","2","150","2","","","","","","","","6","I 1 2/a 1","-I 2ya","15","","","","- C38 H58 Cl Ga N2 O2 -","- C38 H58 Cl Ga N2 O2 -","- C304 H464 Cl8 Ga8 N16 O16 -","8","1","","Beament, James; Mahon, Mary F.; Buchard, Antoine; Jones, Matthew D.","Salan group 13 complexes ‒ structural study and lactide polymerisation","New J. Chem.","2017","41","5","2198","","10.1039/C6NJ03844A","","","1.54184","CuKα","","0.0297","0.029","","","0.0773","0.0779","","","","","","1.021","","","","has coordinates","193874","2020-10-21","18:00:00",""
"7055994","12.3467","0.0003","15.823","0.0004","19.2186","0.0005","90","","94.865","0.003","90","","3741.05","0.16","150","2","150","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C38 H58 Cl In N2 O2 -","- C38 H58 Cl In N2 O2 -","- C152 H232 Cl4 In4 N8 O8 -","4","1","","Beament, James; Mahon, Mary F.; Buchard, Antoine; Jones, Matthew D.","Salan group 13 complexes ‒ structural study and lactide polymerisation","New J. Chem.","2017","41","5","2198","","10.1039/C6NJ03844A","","","1.54184","CuKα","","0.0214","0.0202","","","0.0497","0.0503","","","","","","1.027","","","","has coordinates","193874","2020-10-21","18:00:00",""
"7055995","33.7559","0.0005","13.9577","0.0002","17.7422","0.0003","90","","102.82","0.002","90","","8150.9","0.2","150","2","150","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C38.5 H64.5 Al Cl N2 O2 -","- C38.5 H64.5 Al Cl N2 O2 -","- C308 H516 Al8 Cl8 N16 O16 -","8","1","","Beament, James; Mahon, Mary F.; Buchard, Antoine; Jones, Matthew D.","Salan group 13 complexes ‒ structural study and lactide polymerisation","New J. Chem.","2017","41","5","2198","","10.1039/C6NJ03844A","","","1.54184","CuKα","","0.0768","0.0746","","","0.2122","0.2142","","","","","","1.083","","","","has coordinates,has disorder","193874","2020-10-21","18:00:00",""
"7055996","32.9563","0.0006","14.0324","0.0002","17.9476","0.0002","90","","101.376","0.0015","90","","8136.9","0.2","150.01","0.1","150.01","0.1","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C40 H68 Cl Ga N2 O2 -","- C34 H54 Cl Ga N2 O2 -","- C272 H432 Cl8 Ga8 N16 O16 -","8","1","","Beament, James; Mahon, Mary F.; Buchard, Antoine; Jones, Matthew D.","Salan group 13 complexes ‒ structural study and lactide polymerisation","New J. Chem.","2017","41","5","2198","","10.1039/C6NJ03844A","","x-ray","1.54184","CuKα","","0.0458","0.0426","","","0.1126","0.1154","","","","","","1.02","","","","has coordinates,has disorder","193874","2020-10-21","18:00:00",""
"7055997","21.6467","0.0009","13.105","0.0007","32.3338","0.0009","90","","90","","90","","9172.5","0.7","150","2","150","2","","","","","","","","6","P b c a","-P 2ac 2ab","61","","","","- C48 H70 Cl In N2 O2 -","- C48 H70 Cl In N2 O2 -","- C384 H560 Cl8 In8 N16 O16 -","8","1","","Beament, James; Mahon, Mary F.; Buchard, Antoine; Jones, Matthew D.","Salan group 13 complexes ‒ structural study and lactide polymerisation","New J. Chem.","2017","41","5","2198","","10.1039/C6NJ03844A","","","1.54184","CuKα","","0.0346","0.0311","","","0.0774","0.0793","","","","","","1.045","","","","has coordinates","193874","2020-10-21","18:00:00",""
"7055998","12.01","0.0001","16.744","0.0002","18.8821","0.0002","90","","92.908","0.001","90","","3792.21","0.07","150","2","150","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C38 H58 I In N2 O2 -","- C38 H58 I In N2 O2 -","- C152 H232 I4 In4 N8 O8 -","4","1","","Beament, James; Mahon, Mary F.; Buchard, Antoine; Jones, Matthew D.","Salan group 13 complexes ‒ structural study and lactide polymerisation","New J. Chem.","2017","41","5","2198","","10.1039/C6NJ03844A","","","1.54184","CuKα","","0.0251","0.023","","","0.0574","0.0586","","","","","","1.018","","","","has coordinates","193874","2020-10-21","18:00:00",""
"7055999","17.9334","0.0003","16.6462","0.0002","32.2729","0.0003","90","","99.172","0.001","90","","9511","0.2","150","2","150","2","","","","","","","","5","I 1 2/a 1","-I 2ya","15","","","","- C93 H157 In2 N4 O6 -","- C93 H157 In2 N4 O6 -","- C372 H628 In8 N16 O24 -","4","0.5","","Beament, James; Mahon, Mary F.; Buchard, Antoine; Jones, Matthew D.","Salan group 13 complexes ‒ structural study and lactide polymerisation","New J. Chem.","2017","41","5","2198","","10.1039/C6NJ03844A","","","1.54184","CuKα","","0.0435","0.0383","","","0.1091","0.114","","","","","","1.04","","","","has coordinates,has disorder","193874","2020-10-21","18:00:00",""
"7056000","14.145","0.002","10.0424","0.0016","19.296","0.003","90","","93.899","0.004","90","","2734.6","0.7","150","2","150","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C24 H22 F12 N6 P2 -","- C24 H22 F12 N6 P2 -","- C96 H88 F48 N24 P8 -","4","1","","Jana, Barun; Ghosh, Pradyut","Structural diversities in Ag(i) complexes of xylyl platform based isomeric bis-NHC ligands: effects of pyridine wingtip substituents","New J. Chem.","2017","41","5","2131","","10.1039/C6NJ03609K","","","0.71073","MoKα","","0.0721","0.0452","","","0.1304","0.155","","","","","","0.979","","","","has coordinates","193872","2020-10-21","18:00:00",""
"7056001","12.345","0.002","10.001","0.002","22.409","0.004","90","","90.856","0.005","90","","2766.4","0.9","150","2","150","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C24 H22 F12 N6 P2 -","- C24 H22 F12 N6 P2 -","- C96 H88 F48 N24 P8 -","4","1","","Jana, Barun; Ghosh, Pradyut","Structural diversities in Ag(i) complexes of xylyl platform based isomeric bis-NHC ligands: effects of pyridine wingtip substituents","New J. Chem.","2017","41","5","2131","","10.1039/C6NJ03609K","","","0.71073","MoKα","","0.1236","0.0864","","","0.2074","0.2361","","","","","","1.01","","","","has coordinates","193872","2020-10-21","18:00:00",""
"7056002","9.3697","0.0007","15.5486","0.0013","10.1656","0.0008","90","","102.268","0.005","90","","1447.2","0.2","120","2","120","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C24 H22 F12 N6 P2 -","- C24 H22 F12 N6 P2 -","- C48 H44 F24 N12 P4 -","2","0.5","","Jana, Barun; Ghosh, Pradyut","Structural diversities in Ag(i) complexes of xylyl platform based isomeric bis-NHC ligands: effects of pyridine wingtip substituents","New J. Chem.","2017","41","5","2131","","10.1039/C6NJ03609K","","","0.71073","MoKα","","0.0998","0.0648","","","0.1827","0.213","","","","","","1.044","","","","has coordinates","193872","2020-10-21","18:00:00",""
"7056003","24.526","0.012","18.137","0.009","14.803","0.008","90","","123.108","0.007","90","","5516","5","120","2","120","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C52 H46 Ag2 F12 N14 P2 -","- C52 H46 Ag2 F12 N14 P2 -","- C208 H184 Ag8 F48 N56 P8 -","4","0.5","","Jana, Barun; Ghosh, Pradyut","Structural diversities in Ag(i) complexes of xylyl platform based isomeric bis-NHC ligands: effects of pyridine wingtip substituents","New J. Chem.","2017","41","5","2131","","10.1039/C6NJ03609K","","","0.71073","MoKα","","0.1156","0.0677","","","0.1591","0.195","","","","","","1.041","","","","has coordinates","193872","2020-10-21","18:00:00",""
"7056004","13.9881","0.0017","24.815","0.003","15.5816","0.0018","90","","90.367","0.003","90","","5408.5","1.1","150","2","150","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C52 H46 Ag2 F12 N14 P2 -","- C52 H46 Ag2 F12 N14 P2 -","- C208 H184 Ag8 F48 N56 P8 -","4","1","","Jana, Barun; Ghosh, Pradyut","Structural diversities in Ag(i) complexes of xylyl platform based isomeric bis-NHC ligands: effects of pyridine wingtip substituents","New J. Chem.","2017","41","5","2131","","10.1039/C6NJ03609K","","","0.71073","MoKα","","0.1855","0.1224","","","0.2601","0.2889","","","","","","1.109","","","","has coordinates","193872","2020-10-21","18:00:00",""
"7056005","10.4825","0.0012","11.7243","0.0013","12.3329","0.0014","70.664","0.002","88.355","0.003","84.518","0.002","1423.7","0.3","120","2","120","2","","","","","","","","6","P -1","-P 1","2","","","","- C27 H24.5 Ag F6 N7.5 P -","- C27 H24.5 Ag F6 N7.5 P -","- C54 H49 Ag2 F12 N15 P2 -","2","1","","Jana, Barun; Ghosh, Pradyut","Structural diversities in Ag(i) complexes of xylyl platform based isomeric bis-NHC ligands: effects of pyridine wingtip substituents","New J. Chem.","2017","41","5","2131","","10.1039/C6NJ03609K","","","0.71073","MoKα","","0.0658","0.0467","","","0.1111","0.1222","","","","","","1.037","","","","has coordinates,has disorder","193872","2020-10-21","18:00:00",""
"7056006","17.7697","0.001","10.7634","0.0007","11.4808","0.0006","90","","103.834","0.006","90","","2132.1","0.2","296","2","296","2","","","","","","","","5","C 1 c 1","C -2yc","9","","","","- C26 H18 Cu N4 O2 -","- C26 H18 Cu N4 O2 -","- C104 H72 Cu4 N16 O8 -","4","1","","Cindrić, Marina; Bjelopetrović, Alen; Pavlović, Gordana; Damjanović, Vladimir; Lovrić, Jasna; Matković-Čalogović, Dubravka; Vrdoljak, Višnja","Copper(ii) complexes with benzhydrazone-related ligands: synthesis, structural studies and cytotoxicity assay","New J. Chem.","2017","41","6","2425","","10.1039/C6NJ03827A","","","0.71073","MoKα","","0.0894","0.0633","","","0.1051","0.1139","","","","","","1.05","","","","has coordinates","195148","2020-10-21","18:00:00",""
"7056007","11.3899","0.0003","7.9499","0.0002","20.1358","0.0005","90","","99.746","0.002","90","","1796.95","0.08","150","2","150","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C20 H18 Cu N3 O3 -","- C20 H18 Cu N3 O3 -","- C80 H72 Cu4 N12 O12 -","4","1","","Cindrić, Marina; Bjelopetrović, Alen; Pavlović, Gordana; Damjanović, Vladimir; Lovrić, Jasna; Matković-Čalogović, Dubravka; Vrdoljak, Višnja","Copper(ii) complexes with benzhydrazone-related ligands: synthesis, structural studies and cytotoxicity assay","New J. Chem.","2017","41","6","2425","","10.1039/C6NJ03827A","","","0.71073","MoKα","","0.0425","0.0378","","","0.0956","0.0985","","","","","","1.06","","","","has coordinates","195148","2020-10-21","18:00:00",""
"7056008","25.256","0.002","11.149","0.0005","25.821","0.002","90","","120.069","0.011","90","","6292.2","1","150","2","150","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C64 H46 Cu4 N8 O18 -","- C64 H46 Cu4 N8 O18 -","- C256 H184 Cu16 N32 O72 -","4","0.5","","Cindrić, Marina; Bjelopetrović, Alen; Pavlović, Gordana; Damjanović, Vladimir; Lovrić, Jasna; Matković-Čalogović, Dubravka; Vrdoljak, Višnja","Copper(ii) complexes with benzhydrazone-related ligands: synthesis, structural studies and cytotoxicity assay","New J. Chem.","2017","41","6","2425","","10.1039/C6NJ03827A","","","0.71073","MoKα","","0.1311","0.1015","","","0.227","0.2413","","","","","","1.15","","","","has coordinates","195148","2020-10-21","18:00:00",""
"7056009","16.5056","0.0003","8.5024","0.00019","24.0812","0.0005","90","","93.366","0.0016","90","","3373.66","0.12","296","2","296","2","","","","","","","","5","I 1 2/a 1","-I 2ya","15","","","","- C40 H32 Cu2 N6 O6 -","- C40 H32 Cu2 N6 O6 -","- C160 H128 Cu8 N24 O24 -","4","0.5","","Cindrić, Marina; Bjelopetrović, Alen; Pavlović, Gordana; Damjanović, Vladimir; Lovrić, Jasna; Matković-Čalogović, Dubravka; Vrdoljak, Višnja","Copper(ii) complexes with benzhydrazone-related ligands: synthesis, structural studies and cytotoxicity assay","New J. Chem.","2017","41","6","2425","","10.1039/C6NJ03827A","","","0.71073","MoKα","","0.0611","0.0405","","","0.0903","0.0991","","","","","","1.013","","","","has coordinates","195148","2020-10-21","18:00:00",""
"7056010","13.5763","0.0006","10.6885","0.0003","13.9612","0.0007","90","","116.912","0.006","90","","1806.51","0.16","296","2","296","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C40 H34 Cu2 N6 O6 -","- C40 H34 Cu2 N6 O6 -","- C80 H68 Cu4 N12 O12 -","2","0.5","","Cindrić, Marina; Bjelopetrović, Alen; Pavlović, Gordana; Damjanović, Vladimir; Lovrić, Jasna; Matković-Čalogović, Dubravka; Vrdoljak, Višnja","Copper(ii) complexes with benzhydrazone-related ligands: synthesis, structural studies and cytotoxicity assay","New J. Chem.","2017","41","6","2425","","10.1039/C6NJ03827A","","","1.54184","CuKα","","0.0454","0.04","","","0.1178","0.1235","","","","","","1.056","","","","has coordinates","211196","2020-10-21","18:00:00",""
"7056011","12.42","0.001","8.0353","0.0004","19.6932","0.001","90","","93.427","0.005","90","","1961.8","0.2","150","2","150","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C40 H38 Cu2 N6 O9 -","- C40 H38 Cu2 N6 O9 -","- C80 H76 Cu4 N12 O18 -","2","0.5","","Cindrić, Marina; Bjelopetrović, Alen; Pavlović, Gordana; Damjanović, Vladimir; Lovrić, Jasna; Matković-Čalogović, Dubravka; Vrdoljak, Višnja","Copper(ii) complexes with benzhydrazone-related ligands: synthesis, structural studies and cytotoxicity assay","New J. Chem.","2017","41","6","2425","","10.1039/C6NJ03827A","","","0.71073","MoKα","","0.0665","0.0459","","","0.1143","0.1235","","","","","","1.047","","","","has coordinates","195148","2020-10-21","18:00:00",""
"7056012","18.5945","0.0013","10.8612","0.0005","11.6265","0.0007","90","","98.555","0.007","90","","2321.9","0.2","296","2","296","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C27 H20 Cu N4 O3 -","- C27 H20 Cu N4 O3 -","- C108 H80 Cu4 N16 O12 -","4","1","","Cindrić, Marina; Bjelopetrović, Alen; Pavlović, Gordana; Damjanović, Vladimir; Lovrić, Jasna; Matković-Čalogović, Dubravka; Vrdoljak, Višnja","Copper(ii) complexes with benzhydrazone-related ligands: synthesis, structural studies and cytotoxicity assay","New J. Chem.","2017","41","6","2425","","10.1039/C6NJ03827A","","","0.71073","MoKα","","0.1133","0.0579","","","0.0936","0.1078","","","","","","1.015","","","","has coordinates,has disorder","211196","2020-10-21","18:00:00",""
"7056013","9.6317","0.0007","11.2106","0.0007","13.6662","0.0008","102.602","0.005","91.453","0.005","101.45","0.006","1407.79","0.16","120","0.1","120","0.1","","","","","","","","7","P -1","-P 1","2","","","","- C62 H62 N6 Ni2 O6 P2 S2 -","- C62 H62 N6 Ni2 O6 P2 S2 -","- C62 H62 N6 Ni2 O6 P2 S2 -","1","0.5","","Kalaiarasi, G.; Jain, Ruchi; Puschman, H.; Poorna Chandrika, S.; Preethi, K.; Prabhakaran, R.","New binuclear Ni(ii) metallates containing ONS chelators: synthesis, characterisation, DNA binding, DNA cleavage, protein binding, antioxidant activity, antimicrobial and in vitro cytotoxicity","New J. Chem.","2017","41","7","2543","","10.1039/C6NJ03516G","","x-ray","0.71073","MoKα","","0.049","0.0401","","","0.0983","0.1045","","","","","","1.047","","","","has coordinates","195160","2020-10-21","18:00:00",""
"7056014","10.5619","0.0011","11.0171","0.0012","11.3222","0.0012","93.08","0.004","108.522","0.003","98.363","0.003","1228.9","0.2","120","2","120","2","","","","","","","","7","P -1","-P 1","2","","","","- C50 H56 N8 Ni2 O6 P2 S2 -","- C50 H56 N8 Ni2 O6 P2 S2 -","- C50 H56 N8 Ni2 O6 P2 S2 -","1","0.5","","Kalaiarasi, G.; Jain, Ruchi; Puschman, H.; Poorna Chandrika, S.; Preethi, K.; Prabhakaran, R.","New binuclear Ni(ii) metallates containing ONS chelators: synthesis, characterisation, DNA binding, DNA cleavage, protein binding, antioxidant activity, antimicrobial and in vitro cytotoxicity","New J. Chem.","2017","41","7","2543","","10.1039/C6NJ03516G","","","0.71073","MoKα","","0.0972","0.0609","","","0.1404","0.1582","","","","","","1.014","","","","has coordinates","195160","2020-10-21","18:00:00",""
"7056015","10.4365","0.0014","15.482","0.002","9.396","0.0012","90","","110.589","0.001","90","","1421.2","0.3","200","2","200","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C15 H13 N5 S -","- C15 H13 N5 S -","- C60 H52 N20 S4 -","4","1","","Yutronkie, Nathan J.; Tami, Perrine; Singh, Simarpreet; Kleisath, Elizabeth; Gabidullin, Bulat M.; Davis, Rebecca; Brusso, Jaclyn L.","S-Functionalization of 3,5-bis(2-pyridyl)-1,2,4,6-thiatriazine: probing the effect of alkyl chain length in the development of tethered materials","New J. Chem.","2017","41","6","2268","","10.1039/C6NJ03721F","","","0.71073","MoKα","","0.0531","0.0418","","","0.1088","0.1157","","","","","","1.034","","","","has coordinates","195155","2020-10-21","18:00:00",""
"7056016","18.9919","0.0012","14.291","0.0008","16.4594","0.0016","90","","122.227","0.003","90","","3779.1","0.5","200","2","200","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C36 H40 Cl4 N10 S2 -","- C36 H40 Cl4 N10 S2 -","- C144 H160 Cl16 N40 S8 -","4","0.5","","Yutronkie, Nathan J.; Tami, Perrine; Singh, Simarpreet; Kleisath, Elizabeth; Gabidullin, Bulat M.; Davis, Rebecca; Brusso, Jaclyn L.","S-Functionalization of 3,5-bis(2-pyridyl)-1,2,4,6-thiatriazine: probing the effect of alkyl chain length in the development of tethered materials","New J. Chem.","2017","41","6","2268","","10.1039/C6NJ03721F","","","0.71073","MoKα","","0.1292","0.0872","","","0.2195","0.2481","","","","","","1.079","","","","has coordinates,has disorder","195155","2020-10-21","18:00:00",""
"7056017","7.9584","0.0002","12.3934","0.0003","12.5205","0.0003","66.596","0.001","75.989","0.001","83.84","0.001","1099.51","0.05","105","","105","","","","","","","","","4","P -1","-P 1","2","","","","- C24 H20 N4 S3 -","- C24 H20 N4 S3 -","- C48 H40 N8 S6 -","2","1","","Tremblay, Marie-Hélène; Gellé, Alexandra; Skene, W. G.","Ambipolar azomethines as potential cathodic color switching materials","New J. Chem.","2017","41","6","2287","","10.1039/C6NJ01732K","","x-ray","1.34139","GaKα","","0.0332","0.0317","","","0.0858","0.0875","","","","","","1.058","","","","has coordinates","195149","2020-10-21","18:00:00",""
"7056018","6.42","0.001","6.924","0.001","22.131","0.002","95.13","0.002","92.58","0.002","100.82","0.003","960.5","0.2","173","2","173","2","","","","","","","","5","P -1","-P 1","2","","","","- C38 H48 Ag2 N8 O2 -","- C38 H48 Ag2 N8 O2 -","- C38 H48 Ag2 N8 O2 -","1","0.5","","Al Abbas, Alexandre; Heinrich, Benoît; L'Her, Matthieu; Couzigné, Emilie; Welter, Richard; Douce, Laurent","Bolaamphiphilic liquid crystals based on bis-imidazolium cations","New J. Chem.","2017","41","7","2604","","10.1039/C6NJ03590F","","","0.7107","MoKα","","0.0507","0.0419","","","0.1171","0.1229","","","","","","1.047","","","","has coordinates","195163","2020-10-21","18:00:00",""
"7056019","8.84","0.0003","9.313","0.0004","24.989","0.0005","90.611","0.002","99.078","0.002","108.899","0.0013","1917.78","0.11","173","2","173","2","","","","","","","","5","P -1","-P 1","2","","","","- C38 H50 N8 Ni O3 -","- C38 H50 N8 Ni O3 -","- C76 H100 N16 Ni2 O6 -","2","1","","Al Abbas, Alexandre; Heinrich, Benoît; L'Her, Matthieu; Couzigné, Emilie; Welter, Richard; Douce, Laurent","Bolaamphiphilic liquid crystals based on bis-imidazolium cations","New J. Chem.","2017","41","7","2604","","10.1039/C6NJ03590F","","","0.71073","MoKα","","0.0669","0.0458","","","0.1181","0.1277","","","","","","1.043","","","","has coordinates","195163","2020-10-21","18:00:00",""
"7056020","12.386","0.0011","18.8479","0.0017","22.508","0.002","90","","95.0605","0.0013","90","","5234","0.8","100","2","100","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C112 H138 N10 O12 Pd2 -","- C112 H138 N10 O12 Pd2 -","- C224 H276 N20 O24 Pd4 -","2","0.5","","Morohashi, N.; Iijima, S.; Akasaka, K.; Hattori, T.","Selective extraction of Pd(ii) by p-tert-butylcalix[4]arenedicarboxylic acid","New J. Chem.","2017","41","6","2231","","10.1039/C6NJ03839E","","","0.71073","MoKα","","0.0659","0.0522","","","0.1361","0.1483","","","","","","1.067","","","","has coordinates,has disorder","195154","2020-10-21","18:00:00",""
"7056021","6.5098","0.0019","11.428","0.003","14.534","0.004","101.993","0.003","95.432","0.004","105.472","0.003","1006.3","0.5","110.15","","110.15","","","","","","","","","7","P -1","-P 1","2","","","","- C19 H18 Cl2 N2 O Ru S2 -","- C19 H18 Cl2 N2 O Ru S2 -","- C38 H36 Cl4 N4 O2 Ru2 S4 -","2","1","","Jeyalakshmi, Kumaramangalam; Haribabu, Jebiti; Balachandran, Chandrasekar; Bhuvanesh, Nattamai S. P.; Emi, Nobuhiko; Karvembu, Ramasamy","Synthesis of Ru(ii)‒benzene complexes containing aroylthiourea ligands, and their binding with biomolecules and in vitro cytotoxicity through apoptosis","New J. Chem.","2017","41","7","2672","","10.1039/C6NJ03099H","","","0.71073","MoKα","","0.0441","0.0399","","","0.1051","0.1089","","","","","","1.043","","","","has coordinates","195162","2020-10-21","18:00:00",""
"7056022","11.674","0.002","10.818","0.002","15.646","0.003","90","","99.37","0.03","90","","1949.6","0.6","150","","150","","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C18 H16 Cl2 N2 O Ru S2 -","- C18 H16 Cl2 N2 O Ru S2 -","- C72 H64 Cl8 N8 O4 Ru4 S8 -","4","1","","Jeyalakshmi, Kumaramangalam; Haribabu, Jebiti; Balachandran, Chandrasekar; Bhuvanesh, Nattamai S. P.; Emi, Nobuhiko; Karvembu, Ramasamy","Synthesis of Ru(ii)‒benzene complexes containing aroylthiourea ligands, and their binding with biomolecules and in vitro cytotoxicity through apoptosis","New J. Chem.","2017","41","7","2672","","10.1039/C6NJ03099H","","","0.71073","MoKα","","0.024","0.0204","","","0.049","0.0509","","","","","","1.037","","","","has coordinates","195162","2020-10-21","18:00:00",""
"7056023","5.539","0.0004","8.1345","0.0006","13.8742","0.0009","94.771","0.003","98.816","0.004","93.294","0.004","614.04","0.08","298","2","298","2","","","","","","","","5","P -1","-P 1","2","","","","- C14 H10 N2 O Se -","- C14 H10 N2 O Se -","- C28 H20 N4 O2 Se2 -","2","1","","Kumar, Sanjeev; Sharma, Nidhi; Maurya, Indresh K.; Verma, Ajay; Kumar, Sangit; Bhasin, K. K.; Sharma, Rohit K.","Insights into selenylation of imidazo[1,2-a]pyridine: synthesis, structural and antimicrobial evaluation","New J. Chem.","2017","41","8","2919","","10.1039/C7NJ00338B","","x-ray","0.71073","MoKα","","0.0453","0.0303","","","0.0663","0.0719","","","","","","1.015","","","","has coordinates","196485","2020-10-21","18:00:00",""
"7056024","16.254","0.003","16.408","0.003","17.493","0.003","111.443","0.006","93.798","0.006","103.048","0.006","4172.9","1.3","100","2","100","2","","","","","","","","6","P 1","P 1","1","","","","- C167 H144.5 Cl2 Mn8 N10.5 O55.5 -","- C167 H143.5 Cl2 Mn8 N10.5 O55.5 -","- C167 H143.5 Cl2 Mn8 N10.5 O55.5 -","1","1","","Escriche-Tur, Luis; Albela, Belén; Font-Bardia, Mercè; Corbella, Montserrat","Singlet ground states in compounds with a [MnIII4O2]8+ core due to broken degeneration","New J. Chem.","2017","41","8","2934","","10.1039/C6NJ03845J","","","0.71073","MoKα","","0.0428","0.0397","","","0.106","0.1104","","","","","","1.105","","","","has coordinates","196477","2020-10-21","18:00:00",""
"7056025","23.2179","0.0007","14.1211","0.0004","30.9402","0.0008","90","","98.284","0.002","90","","10038.3","0.5","296","2","296","2","","","","","","","","8","P 1 2/c 1","-P 2yc","13","","","","- C40 H110 Cu Mo36 N24 O163 P12 Sr5 -","- C40 H110 Cu1.12 Mo36 N24 O163 P12 Sr4.88 -","- C80 H220 Cu2.24 Mo72 N48 O326 P24 Sr9.76 -","2","0.5","","Wang, Wei-wei; Lv, Jing-hua; Yu, Kai; Wang, Chun-mei; Zhang, He; Wu, Chu; Zhou, Bai-bin","The basket-type dimer layers based on tetra-electron reduced heteropoly blue directed by copper/nickel and strontium linkers","New J. Chem.","2017","41","7","2687","","10.1039/C6NJ03495K","","","0.71073","MoKα","","0.1002","0.0563","","","0.15","0.1747","","","","","","1.027","","","","has coordinates","195157","2020-10-21","18:00:00",""
"7056026","23.2228","0.0004","14.1531","0.0003","30.9026","0.0005","90","","98.311","0.001","90","","10050.2","0.3","296","2","296","2","","","","","","","","8","P 1 2/c 1","-P 2yc","13","","","","- C40 H107.5 Mo36 N24 Ni O161.5 P12 Sr5 -","- C40 H107.4 Mo36 N24 Ni1.1 O161.7 P12 Sr4.9 -","- C80 H214.8 Mo72 N48 Ni2.2 O323.4 P24 Sr9.8 -","2","0.5","","Wang, Wei-wei; Lv, Jing-hua; Yu, Kai; Wang, Chun-mei; Zhang, He; Wu, Chu; Zhou, Bai-bin","The basket-type dimer layers based on tetra-electron reduced heteropoly blue directed by copper/nickel and strontium linkers","New J. Chem.","2017","41","7","2687","","10.1039/C6NJ03495K","","","0.71073","MoKα","","0.1015","0.0865","","","0.1465","0.169","","","","","","1.211","","","","has coordinates,has disorder","195157","2020-10-21","18:00:00",""
"7056027","7.7557","0.0004","10.0442","0.0005","10.1321","0.0005","78.38","0.004","78.554","0.005","68.519","0.005","712.65","0.07","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C12 H18 Cu N4 O4 -","- C12 H18 Cu N4 O4 -","- C24 H36 Cu2 N8 O8 -","2","1","","Noshiranzadeh, Nader; Emami, Marzieh; Bikas, Rahman; Kozakiewicz, Anna","Green click synthesis of β-hydroxy-1,2,3-triazoles in water in the presence of a Cu(ii)‒azide catalyst: a new function for Cu(ii)‒azide complexes","New J. Chem.","2017","41","7","2658","","10.1039/C6NJ03865D","","","0.71073","MoKα","","0.0444","0.0354","","","0.1026","0.1056","","","","","","1.118","","","","has coordinates","195158","2020-10-21","18:00:00",""
"7056028","14.685","0.003","5.545","0.001","16.85","0.003","90","","100.38","0.03","90","","1349.6","0.5","293","2","293","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C16 H15 N3 O -","- C16 H15 N3 O -","- C64 H60 N12 O4 -","4","1","","Noshiranzadeh, Nader; Emami, Marzieh; Bikas, Rahman; Kozakiewicz, Anna","Green click synthesis of β-hydroxy-1,2,3-triazoles in water in the presence of a Cu(ii)‒azide catalyst: a new function for Cu(ii)‒azide complexes","New J. Chem.","2017","41","7","2658","","10.1039/C6NJ03865D","","","0.71073","MoKα","","0.2969","0.0984","","","0.2496","0.3598","","","","","","0.99","","","","has coordinates","195158","2020-10-21","18:00:00",""
"7056029","28.22","0.011","7.03","0.003","8.168","0.003","90","","95.038","0.008","90","","1614.2","1.1","296","2","296.15","","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C18 H16 N2 O4 -","- C18 H16 N2 O4 -","- C72 H64 N8 O16 -","4","0.5","","Wang, Ning; Yang, Jin-Chuang; Chen, Li-Dong; Li, Jia; An, Yue; Lü, Cheng-Wei; Tian, Yun-Qi","Efficient synthesis of diethyl benzo[c]cinoline-3,8-dicarboxylate for fluorescence quenching materials","New J. Chem.","2017","41","7","2786","","10.1039/C6NJ03989H","","","0.71073","MoKα","","0.1497","0.0576","","","0.1525","0.1969","","","","","","0.98","","","","has coordinates,has disorder","195159","2020-10-21","18:00:00",""
"7056030","8.2607","0.0015","14.168","0.003","27.7","0.005","90","","90","","90","","3241.9","1.1","296.15","","296.15","","","","","","","","","4","P b c n","-P 2n 2ab","60","","","","- C18 H16 N2 O5 -","- C18 H16 N2 O5 -","- C144 H128 N16 O40 -","8","1","","Wang, Ning; Yang, Jin-Chuang; Chen, Li-Dong; Li, Jia; An, Yue; Lü, Cheng-Wei; Tian, Yun-Qi","Efficient synthesis of diethyl benzo[c]cinoline-3,8-dicarboxylate for fluorescence quenching materials","New J. Chem.","2017","41","7","2786","","10.1039/C6NJ03989H","","","0.71073","MoKα","","0.1385","0.0651","","","0.1498","0.1885","","","","","","1.032","","","","has coordinates,has disorder","195159","2020-10-21","18:00:00",""
"7056031","9.222","0.003","12.461","0.004","13.128","0.004","90","","100.199","0.005","90","","1484.8","0.8","298","2","298","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C16 H12 Cl N O Pd S -","- C16 H12 Cl N O Pd S -","- C64 H48 Cl4 N4 O4 Pd4 S4 -","4","1","","Kumar, Satyendra; Saleem, Fariha; Mishra, Manish Kumar; Singh, Ajai K.","Oxine based unsymmetrical (O−, N, S/Se) pincer ligands and their palladium(ii) complexes: synthesis, structural aspects and applications as a catalyst in amine and copper-free Sonogashira coupling","New J. Chem.","2017","41","7","2745","","10.1039/C7NJ00067G","","","0.71073","MoKα","","0.0861","0.0485","","","0.1031","0.1162","","","","","","0.974","","","","has coordinates","195161","2020-10-21","18:00:00",""
"7056032","19.823","0.003","15.375","0.002","22.92","0.003","90","","90","","90","","6985.5","1.7","298","2","298","2","","","","","","","","7","P b c a","-P 2ac 2ab","61","","","","- C16 H12 Cl N O Pd Se -","- C16 H12 Cl N O Pd Se -","- C256 H192 Cl16 N16 O16 Pd16 Se16 -","16","2","","Kumar, Satyendra; Saleem, Fariha; Mishra, Manish Kumar; Singh, Ajai K.","Oxine based unsymmetrical (O−, N, S/Se) pincer ligands and their palladium(ii) complexes: synthesis, structural aspects and applications as a catalyst in amine and copper-free Sonogashira coupling","New J. Chem.","2017","41","7","2745","","10.1039/C7NJ00067G","","","0.71073","MoKα","","0.0543","0.0407","","","0.1049","0.1109","","","","","","1.033","","","","has coordinates","195161","2020-10-21","18:00:00",""
"7056033","10.874","0.003","10.652","0.003","11.473","0.004","90","","90.624","0.006","90","","1328.8","0.7","298","2","298","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C16 H13 N O S -","- C16 H13 N O S -","- C64 H52 N4 O4 S4 -","4","1","","Kumar, Satyendra; Saleem, Fariha; Mishra, Manish Kumar; Singh, Ajai K.","Oxine based unsymmetrical (O−, N, S/Se) pincer ligands and their palladium(ii) complexes: synthesis, structural aspects and applications as a catalyst in amine and copper-free Sonogashira coupling","New J. Chem.","2017","41","7","2745","","10.1039/C7NJ00067G","","","0.71073","MoKα","","0.1166","0.0649","","","0.1762","0.2072","","","","","","1.022","","","","has coordinates","195161","2020-10-21","18:00:00",""
"7056034","19.372","0.002","12.2295","0.001","11.3742","0.0014","90","","124.421","0.008","90","","2222.8","0.5","291","2","291","","","","","","","","synthesis as described","5","C 1 2/c 1","-C 2yc","15","Methylbiquinoxen","N,N'-dimethyl-3,3'-biquinoxalinium bis tetrafluroborate, acetonitrile","","- C20 H16 B2 F8 N5 -","- C20 H16 B2 F8 N5 -","- C80 H64 B8 F32 N20 -","4","0.5","","Leblanc, Nicolas; Sproules, Stephen; Powell, Annie K.","An alternative method to access diverse N,N′-diquaternised-3,3′-biquinoxalinium “biquinoxen” dications","New J. Chem.","2017","41","8","2949","","10.1039/C7NJ00531H","","","0.71073","MoKα","","0.0759","0.0617","","","0.1964","0.2111","","","","","","1.132","","","","has coordinates","196480","2020-10-21","18:00:00",""
"7056035","8.663","0.001","8.781","0.001","22.282","0.002","90","","95.376","0.006","90","","1687.5","0.3","291","2","291","","","","","","","","synthesis as described","5","P 1 21/n 1","-P 2yn","14","Benzylbiquinoxen bis (tetrafluoroborate), bis (acetonitrile)","N,N'-dibenzyl-3,3'-biquinoxalinium bis(tetrafluoroborate), bis (acetonitrile)","","- C34 H30 B2 F8 N6 -","- C34 H30 B2 F8 N6 -","- C68 H60 B4 F16 N12 -","2","0.5","","Leblanc, Nicolas; Sproules, Stephen; Powell, Annie K.","An alternative method to access diverse N,N′-diquaternised-3,3′-biquinoxalinium “biquinoxen” dications","New J. Chem.","2017","41","8","2949","","10.1039/C7NJ00531H","","","0.71073","MoKα","","0.0874","0.0595","","","0.1801","0.1985","","","","","","1.071","","","","has coordinates","196480","2020-10-21","18:00:00",""
"7056036","13.6499","0.0005","10.6491","0.0004","16.0789","0.0006","90","","106.365","0.001","90","","2242.53","0.14","296","2","296","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C24 H18 Co N6 O7 -","- C24 H18 Co N6 O7 -","- C96 H72 Co4 N24 O28 -","4","1","","Sharma, Surbhi; Toupet, Loic; Arjmand, Farukh","De novo design of a hydrolytic DNA cleavage agent, mono nitratobis(phen)cobalt(ii) aqua nitrate complex","New J. Chem.","2017","41","8","2883","","10.1039/C7NJ00563F","","","0.71073","MoKα","","0.0457","0.0376","","","0.0994","0.1042","","","","","","1.073","","","","has coordinates","196483","2020-10-21","18:00:00",""
"7056037","10.5833","0.0004","24.6297","0.0008","15.5661","0.0005","90","","102.349","0.001","90","","3963.6","0.2","296","2","296.15","","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C38 H19 F12 Ir N6 O S -","- C38 H19 F12 Ir N6 O S -","- C152 H76 F48 Ir4 N24 O4 S4 -","4","1","","Jing, Yi-Ming; Zheng, You-Xuan","Photoluminescence and electroluminescence of an iridium(iii) complex with 2′,6′-bis(trifluoromethyl)-2,4′-bipyridine and 2-(5-phenyl-1,3,4-thiadiazol-2-yl)phenol ligands","New J. Chem.","2017","41","8","3029","","10.1039/C7NJ00163K","","","0.71073","MoKα","","0.0358","0.0286","","","0.0686","0.0707","","","","","","1.057","","","","has coordinates","196476","2020-10-21","18:00:00",""
"7056038","7.3139","0.0007","9.6308","0.0009","11.2039","0.001","73.572","0.002","78.457","0.002","73.711","0.002","720.31","0.12","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C32 H18 N8 O12 U -","- C32 H18 N8 O12 U -","- C32 H18 N8 O12 U -","1","0.5","","Li, Shuang; Sun, Li Xian; Ni, Jue Chen; Shi, Zhan; Xing, Yong Heng; Shang, Di; Bai, Feng Ying","Two uranyl heterocyclic carboxyl compounds with fluorescent properties as high sensitivity and selectivity optical detectors for nitroaromatics","New J. Chem.","2017","41","8","3073","","10.1039/C6NJ03933B","","","0.71073","MoKα","","0.0394","0.0312","","","0.0614","0.0657","","","","","","1.006","","","","has coordinates,has disorder","196479","2020-10-21","18:00:00",""
"7056039","9.2837","0.0006","25.2187","0.0017","7.4546","0.0005","90","","95.478","0.001","90","","1737.3","0.2","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C40 H24 N10 O6 U -","- C40 H24 N10 O6 U -","- C80 H48 N20 O12 U2 -","2","0.5","","Li, Shuang; Sun, Li Xian; Ni, Jue Chen; Shi, Zhan; Xing, Yong Heng; Shang, Di; Bai, Feng Ying","Two uranyl heterocyclic carboxyl compounds with fluorescent properties as high sensitivity and selectivity optical detectors for nitroaromatics","New J. Chem.","2017","41","8","3073","","10.1039/C6NJ03933B","","","0.71073","MoKα","","0.0671","0.031","","","0.0589","0.067","","","","","","1.009","","","","has coordinates","196479","2020-10-21","18:00:00",""
"7056040","19.8753","0.0012","13.6546","0.0008","23.5872","0.0014","90","","108.782","0.001","90","","6060.4","0.6","100","2","100","2","","","","","","","","8","P 1 21/n 1","-P 2yn","14","","","","- C130 H129 F6 N12 O13 P4 Ru2 S2 -","- C130 H129 F6 N12 O13 P4 Ru2 S2 -","- C260 H258 F12 N24 O26 P8 Ru4 S4 -","2","0.5","","Dai, Zengjin; Luo, Qi; Cong, Hengjiang; Zhang, Jing; Peng, Tianyou","New Ru(ii) N′NN′-type pincer complexes: synthesis, characterization and the catalytic hydrogenation of CO2 or bicarbonates to formate salts","New J. Chem.","2017","41","8","3055","","10.1039/C6NJ03855G","","","0.71073","MoKα","","0.0514","0.0402","","","0.1028","0.111","","","","","","1.046","","","","has coordinates,has disorder","196484","2020-10-21","18:00:00",""
"7056041","11.2021","0.0006","8.9266","0.0005","19.0001","0.001","90","","90.03","0.002","90","","1899.95","0.18","153","2","153","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C20 H22 N P Pt S -","- C20 H22 N P Pt S -","- C80 H88 N4 P4 Pt4 S4 -","4","1","","Polo, A.; Duran, J.; Juanola, R.; Real, J.; Benet-Buchholz, J.; Solà, M.; Poater, A.","Tuning diastereoisomerism in platinum(ii) phosphino- and aminothiolato hydrido complexes","New J. Chem.","2017","41","8","3015","","10.1039/C6NJ04042J","","","0.71073","MoKα","","0.0583","0.0411","","","0.0909","0.0968","","","","","","0.981","","","","has coordinates","196490","2020-10-21","18:00:00",""
"7056042","9.2097","0.0015","9.9559","0.0017","13.363","0.002","75.392","0.006","87.912","0.008","63.361","0.006","1055.6","0.3","153","2","153","2","","","","","","","","7","P -1","-P 1","2","","","","- C22 H24 N O2 P Pt S -","- C22 H24 N O2 P Pt S -","- C44 H48 N2 O4 P2 Pt2 S2 -","2","1","","Polo, A.; Duran, J.; Juanola, R.; Real, J.; Benet-Buchholz, J.; Solà, M.; Poater, A.","Tuning diastereoisomerism in platinum(ii) phosphino- and aminothiolato hydrido complexes","New J. Chem.","2017","41","8","3015","","10.1039/C6NJ04042J","","","0.71073","MoKα","","0.1177","0.0601","","","0.1086","0.1231","","","","","","0.853","","","","has coordinates,has disorder","196490","2020-10-21","18:00:00",""
"7056043","9.304","0.0002","10.1733","0.0002","13.5601","0.0003","73.671","0.001","87.586","0.001","63.534","0.001","1097.46","0.04","153","2","153","2","","","","","","","","7","P 1","P 1","1","","","","- C23 H26 N O2 P Pt S -","- C23 H26 N O2 P Pt S -","- C46 H52 N2 O4 P2 Pt2 S2 -","2","2","","Polo, A.; Duran, J.; Juanola, R.; Real, J.; Benet-Buchholz, J.; Solà, M.; Poater, A.","Tuning diastereoisomerism in platinum(ii) phosphino- and aminothiolato hydrido complexes","New J. Chem.","2017","41","8","3015","","10.1039/C6NJ04042J","","","0.71073","MoKα","","0.0513","0.0471","","","0.119","0.1214","","","","","","1.037","","","","has coordinates","196490","2020-10-21","18:00:00",""
"7056044","9.6068","0.0003","29.7785","0.0011","10.3464","0.0004","90","","111.467","0.002","90","","2754.53","0.17","153","2","153","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C32 H30 P2 Pt S -","- C32 H30 P2 Pt S -","- C128 H120 P8 Pt4 S4 -","4","1","","Polo, A.; Duran, J.; Juanola, R.; Real, J.; Benet-Buchholz, J.; Solà, M.; Poater, A.","Tuning diastereoisomerism in platinum(ii) phosphino- and aminothiolato hydrido complexes","New J. Chem.","2017","41","8","3015","","10.1039/C6NJ04042J","","","0.71073","MoKα","","0.0799","0.054","","","0.1382","0.151","","","","","","1.036","","","","has coordinates,has disorder","196490","2020-10-21","18:00:00",""
"7056045","13.894","0.0004","13.894","0.0004","28.8987","0.001","90","","90","","90","","5578.7","0.3","203","2","203","2","","","","","","","","5","I 41 c d","I 4bw -2c","110","","","","- C27 H28 N4 O10 Zn2 -","- C27 H28 N4 O10 Zn2 -","- C216 H224 N32 O80 Zn16 -","8","0.5","","Altaf, Muhammad; Mansha, Muhammad; Sohail, Manzar; Isab, Anvarhusein A.; Ullah, Nisar; Khan, Safyan A.; Sher, Muhammad; Stoeckli-Evans, Helen","Synthesis, structures and photoluminescence properties of mixed ligand divalent metal‒organic frameworks","New J. Chem.","2017","41","8","2980","","10.1039/C7NJ00188F","","","0.71073","MoKα","","0.0234","0.0211","","","0.049","0.0496","","","","","","1.04","","","","has coordinates","196487","2020-10-21","18:00:00",""
"7056046","14.1991","0.001","13.4825","0.0008","14.6649","0.0011","90","","117.027","0.005","90","","2500.8","0.3","203","2","203","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C19 H32 Cu N4 O10 -","- C19 H32 Cu N4 O10 -","- C76 H128 Cu4 N16 O40 -","4","1","","Altaf, Muhammad; Mansha, Muhammad; Sohail, Manzar; Isab, Anvarhusein A.; Ullah, Nisar; Khan, Safyan A.; Sher, Muhammad; Stoeckli-Evans, Helen","Synthesis, structures and photoluminescence properties of mixed ligand divalent metal‒organic frameworks","New J. Chem.","2017","41","8","2980","","10.1039/C7NJ00188F","","","0.71073","MoKα","","0.0571","0.0321","","","0.0582","0.0621","","","","","","0.879","","","","has coordinates","196487","2020-10-21","18:00:00",""
"7056047","18.3638","0.0012","10.9135","0.0004","18.8942","0.0011","90","","108.374","0.005","90","","3593.6","0.4","203","2","203","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C33 H38 Co2 N6 O10 -","- C33 H38 Co2 N6 O10 -","- C132 H152 Co8 N24 O40 -","4","1","","Altaf, Muhammad; Mansha, Muhammad; Sohail, Manzar; Isab, Anvarhusein A.; Ullah, Nisar; Khan, Safyan A.; Sher, Muhammad; Stoeckli-Evans, Helen","Synthesis, structures and photoluminescence properties of mixed ligand divalent metal‒organic frameworks","New J. Chem.","2017","41","8","2980","","10.1039/C7NJ00188F","","","0.71073","MoKα","","0.0793","0.0419","","","0.081","0.088","","","","","","0.95","","","","has coordinates","196487","2020-10-21","18:00:00",""
"7056048","8.3612","0.0007","10.4096","0.0009","14.7569","0.0011","95.769","0.007","97.078","0.006","94.544","0.007","1262.68","0.18","203","2","203","2","","","","","","","","6","P -1","-P 1","2","","","","- C26 H24 Ag N4 O4 P -","- C26 H24 Ag N4 O4 P -","- C52 H48 Ag2 N8 O8 P2 -","2","1","","Durini, Sara; Ardizzoia, G. Attilio; Therrien, Bruno; Brenna, Stefano","Tuning the fluorescence emission in mononuclear heteroleptic trigonal silver(i) complexes","New J. Chem.","2017","41","8","3006","","10.1039/C6NJ04058F","","","0.71073","MoKα","","0.0465","0.0281","","","0.0549","0.0572","","","","","","0.816","","","","has coordinates","196488","2020-10-21","18:00:00",""
"7056049","30.9447","0.0016","9.9074","0.0003","21.4664","0.0011","90","","108.445","0.004","90","","6243.1","0.5","203","2","203","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C36 H28 Ag N4 O4 P -","- C36 H28 Ag N4 O4 P -","- C288 H224 Ag8 N32 O32 P8 -","8","1","","Durini, Sara; Ardizzoia, G. Attilio; Therrien, Bruno; Brenna, Stefano","Tuning the fluorescence emission in mononuclear heteroleptic trigonal silver(i) complexes","New J. Chem.","2017","41","8","3006","","10.1039/C6NJ04058F","","","0.71073","MoKα","","0.0411","0.026","","","0.0509","0.0533","","","","","","0.928","","","","has coordinates,has disorder","196488","2020-10-21","18:00:00",""
"7056050","19.5618","0.0005","8.2302","0.0011","20.9709","0.0011","90","","112.52","","90","","3118.8","0.5","203","2","203","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C30 H40 Ag N4 O4 P -","- C30 H40 Ag N4 O4 P -","- C120 H160 Ag4 N16 O16 P4 -","4","1","","Durini, Sara; Ardizzoia, G. Attilio; Therrien, Bruno; Brenna, Stefano","Tuning the fluorescence emission in mononuclear heteroleptic trigonal silver(i) complexes","New J. Chem.","2017","41","8","3006","","10.1039/C6NJ04058F","","","0.71073","MoKα","","0.0623","0.0408","","","0.0922","0.0977","","","","","","0.906","","","","has coordinates","196488","2020-10-21","18:00:00",""
"7056051","9.3609","0.0004","13.7302","0.0007","26.0386","0.001","90","","100.355","0.001","90","","3292.2","0.3","203","2","203","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C36 H28 Ag N4 O7 P -","- C36 H28 Ag N4 O7 P -","- C144 H112 Ag4 N16 O28 P4 -","4","1","","Durini, Sara; Ardizzoia, G. Attilio; Therrien, Bruno; Brenna, Stefano","Tuning the fluorescence emission in mononuclear heteroleptic trigonal silver(i) complexes","New J. Chem.","2017","41","8","3006","","10.1039/C6NJ04058F","","","0.71073","MoKα","","0.0276","0.0216","","","0.0543","0.0554","","","","","","1.004","","","","has coordinates","196488","2020-10-21","18:00:00",""
"7056052","13.662","0.003","15.906","0.003","17.705","0.003","88.86","0.03","88.67","0.03","64.87","0.03","3482.1","1.4","113","","113","2","","","","","","","","7","P -1","-P 1","2","","","","- C52 H44 Co Dy F30 N6 O14 -","- C49 H37 Co Dy F30 N6 O14 -","- C98 H74 Co2 Dy2 F60 N12 O28 -","2","1","","Wang, Xiufeng; Li, Hongdao; Sun, Juan; Yang, Meng; Li, Cun; Li, Licun","LnIII‒CoII heterometallic chains based on pyridine substituted nitronyl nitroxides","New J. Chem.","2017","41","8","2973","","10.1039/C6NJ03849B","","","0.71073","MoKα","","0.1152","0.085","","","0.2183","0.2432","","","","","","1.048","","","","has coordinates,has disorder","196489","2020-10-21","18:00:00",""
"7056053","13.704","0.003","15.792","0.003","17.496","0.003","89.55","0.03","89.03","0.03","64.43","0.03","3415","1.4","113","2","113","2","","","","","","","","7","P -1","-P 1","2","","","","- C52 H44 Co F30 N6 O14 Y -","- C49 H37 Co F30 N6 O14 Y -","- C98 H74 Co2 F60 N12 O28 Y2 -","2","1","","Wang, Xiufeng; Li, Hongdao; Sun, Juan; Yang, Meng; Li, Cun; Li, Licun","LnIII‒CoII heterometallic chains based on pyridine substituted nitronyl nitroxides","New J. Chem.","2017","41","8","2973","","10.1039/C6NJ03849B","","","0.71073","MoKα","","0.1433","0.0933","","","0.2217","0.2543","","","","","","1.023","","","","has coordinates,has disorder","196489","2020-10-21","18:00:00",""
"7056054","13.649","0.003","15.974","0.003","17.707","0.003","88.65","0.03","88.66","0.03","64.82","0.03","3492.4","1.5","113","2","113","2","","","","","","","","7","P -1","-P 1","2","","","","- C49 H37 Co F30 Gd N6 O14 -","- C49 H37 Co F30 Gd N6 O14 -","- C98 H74 Co2 F60 Gd2 N12 O28 -","2","1","","Wang, Xiufeng; Li, Hongdao; Sun, Juan; Yang, Meng; Li, Cun; Li, Licun","LnIII‒CoII heterometallic chains based on pyridine substituted nitronyl nitroxides","New J. Chem.","2017","41","8","2973","","10.1039/C6NJ03849B","","","0.71073","MoKα","","0.1023","0.0693","","","0.151","0.1707","","","","","","1.066","","","","has coordinates,has disorder","196489","2020-10-21","18:00:00",""
"7056055","12.549","0.006","22.609","0.01","25.655","0.01","90","","106.736","0.018","90","","6971","5","113","2","113","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C52 H37 Co Dy F30 N6 O14 -","- C52 H37 Co Dy F30 N6 O14 -","- C208 H148 Co4 Dy4 F120 N24 O56 -","4","1","","Wang, Xiufeng; Li, Hongdao; Sun, Juan; Yang, Meng; Li, Cun; Li, Licun","LnIII‒CoII heterometallic chains based on pyridine substituted nitronyl nitroxides","New J. Chem.","2017","41","8","2973","","10.1039/C6NJ03849B","","","0.71073","MoKα","","0.0996","0.088","","","0.2293","0.2381","","","","","","1.13","","","","has coordinates,has disorder","196489","2020-10-21","18:00:00",""
"7056056","7.50613","0.00016","14.4909","0.0004","12.0626","0.0003","90","","96.839","0.002","90","","1302.72","0.06","100","2","100","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C24 H27 N O12 S -","- C24 H27 N O12 S -","- C48 H54 N2 O24 S2 -","2","1","","Luque-Agudo, V.; Albarrán-Velo, J.; Fernández-Bolaños, J. G.; López, O.; Light, M. E.; Padrón, J. M.; Lagunes, I.; Román, E.; Serrano, J. A.; Gil, M. V.","Synthesis and antiproliferative activity of sulfa-Michael adducts and thiochromenes derived from carbohydrates","New J. Chem.","2017","41","8","3154","","10.1039/C6NJ03940E","","x-ray","1.54184","CuKα","","0.0392","0.0373","","","0.0956","0.0971","","","","","","1.097","","","","has coordinates","196481","2020-10-21","18:00:00",""
"7056057","7.47001","0.00014","17.3307","0.0003","10.39519","0.00018","90","","102.89","0.0018","90","","1311.85","0.04","100","2","100","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C21 H31 N O14 S -","- C21 H31 N O14 S -","- C42 H62 N2 O28 S2 -","2","1","","Luque-Agudo, V.; Albarrán-Velo, J.; Fernández-Bolaños, J. G.; López, O.; Light, M. E.; Padrón, J. M.; Lagunes, I.; Román, E.; Serrano, J. A.; Gil, M. V.","Synthesis and antiproliferative activity of sulfa-Michael adducts and thiochromenes derived from carbohydrates","New J. Chem.","2017","41","8","3154","","10.1039/C6NJ03940E","","x-ray","0.71073","MoKα","","0.0316","0.0292","","","0.0734","0.0747","","","","","","1.031","","","","has coordinates","196481","2020-10-21","18:00:00",""
"7056058","16.714","0.002","19.114","0.002","19.356","0.003","90","","108.853","0.003","90","","5851.9","1.3","120","2","120","2","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C63 H48 Cl3 Hf N14 Ni O7 -","- C63 H48 Cl3 Hf N14 Ni O7 -","- C252 H192 Cl12 Hf4 N56 Ni4 O28 -","4","1","","Dudkin, Semyon V.; Belov, Alexander S.; Nelyubina, Yulia V.; Savchuk, Anastasia V.; Pavlov, Alexander A.; Novikov, Valentin V.; Voloshin, Yan Z.","Synthesis, X-ray structure and electrochemical properties of hybrid binuclear metallophthalocyaninate-capped tris-pyridineoximates","New J. Chem.","2017","41","9","3251","","10.1039/C7NJ00131B","","","0.71073","MoKα","","0.0813","0.0486","","","0.0887","0.1013","","","","","","1.067","","","","has coordinates,has disorder","196492","2020-10-21","18:00:00",""
"7056059","12.7726","0.0016","12.7063","0.0016","29.868","0.004","90","","100.255","0.002","90","","4769.9","1.1","100","2","100","2","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C53 H37 Cl Fe N14 O7 Zr -","- C53 H37 Cl Fe N14 O7 Zr -","- C212 H148 Cl4 Fe4 N56 O28 Zr4 -","4","1","","Dudkin, Semyon V.; Belov, Alexander S.; Nelyubina, Yulia V.; Savchuk, Anastasia V.; Pavlov, Alexander A.; Novikov, Valentin V.; Voloshin, Yan Z.","Synthesis, X-ray structure and electrochemical properties of hybrid binuclear metallophthalocyaninate-capped tris-pyridineoximates","New J. Chem.","2017","41","9","3251","","10.1039/C7NJ00131B","","","0.71073","MoKα","","0.1614","0.1076","","","0.2301","0.2488","","","","","","1.558","","","","has coordinates","196492","2020-10-21","18:00:00",""
"7056060","12.1688","0.0019","13.742","0.002","15.64","0.002","79.198","0.003","81.175","0.003","89.104","0.004","2538.4","0.6","120","2","120","2","","","","","","","","7","P -1","-P 1","2","","","","- C53 H37 Cl Fe Hf N14 O7 -","- C53 H37 Cl Fe Hf N14 O7 -","- C106 H74 Cl2 Fe2 Hf2 N28 O14 -","2","1","","Dudkin, Semyon V.; Belov, Alexander S.; Nelyubina, Yulia V.; Savchuk, Anastasia V.; Pavlov, Alexander A.; Novikov, Valentin V.; Voloshin, Yan Z.","Synthesis, X-ray structure and electrochemical properties of hybrid binuclear metallophthalocyaninate-capped tris-pyridineoximates","New J. Chem.","2017","41","9","3251","","10.1039/C7NJ00131B","","","0.71073","MoKα","","0.0962","0.071","","","0.1653","0.1807","","","","","","1.002","","","","has coordinates","196492","2020-10-21","18:00:00",""
"7056061","12.3075","0.0016","13.6996","0.0018","16.041","0.002","76.481","0.003","79.763","0.003","87.948","0.003","2587.8","0.6","120","2","120","2","","","","","","","","7","P -1","-P 1","2","","","","- C53 H37 Cl N14 Ni O7 Zr -","- C53 H37 Cl N14 Ni O7 Zr -","- C106 H74 Cl2 N28 Ni2 O14 Zr2 -","2","1","","Dudkin, Semyon V.; Belov, Alexander S.; Nelyubina, Yulia V.; Savchuk, Anastasia V.; Pavlov, Alexander A.; Novikov, Valentin V.; Voloshin, Yan Z.","Synthesis, X-ray structure and electrochemical properties of hybrid binuclear metallophthalocyaninate-capped tris-pyridineoximates","New J. Chem.","2017","41","9","3251","","10.1039/C7NJ00131B","","","0.71073","MoKα","","0.0931","0.0583","","","0.135","0.1487","","","","","","1.019","","","","has coordinates","196492","2020-10-21","18:00:00",""
"7056062","12.9295","0.0006","12.9295","0.0006","31.955","0.003","90","","90","","120","","4626.3","0.5","120","2","120","2","","","","","","","","7","R -3 :H","-R 3","148","","","","- C27 H36 Cl N6 Ni O7 Sb -","- C27 H36 Cl N6 Ni O7 Sb -","- C162 H216 Cl6 N36 Ni6 O42 Sb6 -","6","0.333333","","Dudkin, Semyon V.; Belov, Alexander S.; Nelyubina, Yulia V.; Savchuk, Anastasia V.; Pavlov, Alexander A.; Novikov, Valentin V.; Voloshin, Yan Z.","Synthesis, X-ray structure and electrochemical properties of hybrid binuclear metallophthalocyaninate-capped tris-pyridineoximates","New J. Chem.","2017","41","9","3251","","10.1039/C7NJ00131B","","","0.71073","MoKα","","0.0467","0.0377","","","0.1185","0.1279","","","","","","1.015","","","","has coordinates,has disorder","196492","2020-10-21","18:00:00",""
"7056063","9.1099","0.0018","11.433","0.002","13.749","0.003","104.98","0.03","103.14","0.03","109.24","0.03","1227","0.7","100","","100","","","","","","","","","5","P -1","-P 1","2","","5-bromo-N-(3,4-dimethoxyphenethyl)-2-(2,3,6,7-tetrahydro-1H,5H-pyrido[3,2,1-ij]quinolin-9-yl)imidazo[1,2-a]pyridin-3-amine","","- C29 H31 Br N4 O2 -","- C29 H31 Br N4 O2 -","- C58 H62 Br2 N8 O4 -","2","1","","Basavanag, Unnamatla M. V.; Islas-Jácome, Alejandro; Rentería-Gómez, Angel; Conejo, Alaín S.; Kurva, Mahanandaiah; Jiménez-Halla, J. Oscar C.; Velusamy, Jayaramakrishnan; Ramos-Ortíz, Gabriel; Gámez-Montaño, Rocío","Synthesis of 2-julolidin-imidazo[1,2-a]pyridines via Groebke‒Blackburn‒Bienaymé reaction and studies of optical properties","New J. Chem.","2017","41","9","3450","","10.1039/C6NJ04044F","","","0.71073","MoKα","","0.0392","0.0289","","","0.0681","0.0713","","","","","","1.052","","","","has coordinates","196497","2020-10-21","18:00:00",""
"7056064","12.998","0.0003","17.766","0.0004","24.193","0.0005","90","","120.521","0.001","90","","4812.63","0.19","293","2","293","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","Cyclometalated ruthenium complexes from naturally occurring quinones: Studies on their photophysical features, computational details and trypanocidal activity?","","- C49 H39 F12 N9 O P2 Ru -","- C49 H39 F12 N9 O P2 Ru -","- C196 H156 F48 N36 O4 P8 Ru4 -","4","1","","Souza, Clayton; Silva, Rafaela; Fernandes, Philipe; Souza Filho, Jose D.; Duarte, Hélio Anderson; Araujo, Maria Helena; Simone, Carlos; de Castro, Solange; Menna-Barreto, Rubem F. S.; Demicheli, Cynthia; da Silva Júnior, Eufrânio N.","Cyclometalated ruthenium complexes from naturally occurring quinones: Studies on their photophysical features, computational details and trypanocidal activity","New J. Chem.","2017","","","","","10.1039/C7NJ00379J","","","0.71073","MoKα","","0.0884","0.054","","","0.1407","0.1579","","","","","","0.925","","","","has coordinates","194316","2020-10-21","18:00:00",""
"7056065","7.34","0.0007","18.9644","0.0018","23.232","0.002","90","","90","","90","","3233.9","0.5","293","2","293","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","4-(4-chlorophenyl)-2-(5-(4-chlorophenyl)-1H-pyrazol-1-yl) thiazole","","- C18 H11 Cl2 N3 S -","- C18 H11 Cl2 N3 S -","- C144 H88 Cl16 N24 S8 -","8","1","","Meshram, Harshadas Mitaram; Sridevi, Bhima; Tangella, Yellaiah; Korrapati, Suresh Babu; Nanubolu, Jagadeesh Babu; Routhu, Sunitha Rani; C., Ganesh Kumar; Kamal, Ahmed","Sulfamic Acid Catalyzed One-Pot, Three-Component Green Approach: Synthesis and Cytotoxic Evaluation of Pyrazolyl-Thiazole Congeners","New J. Chem.","2017","","","","","10.1039/C7NJ00042A","","","0.71073","MoKα","","0.0606","0.0591","","","0.1245","0.1253","","","","","","1.337","","","","has coordinates","194317","2020-10-21","18:00:00",""
"7056066","37.5699","0.0007","37.5699","0.0007","5.3064","0.0001","90","","90","","90","","7490","0.2","293","0.1","293","0.1","","","","","","","","4","P 4/n :2","-P 4a","85","","","","- C42 H40 N2 S4 -","- C42 H40 N2 S4 -","- C336 H320 N16 S32 -","8","1","","Croué, V.; Krykun, S.; Allain, M.; Morille, Y.; Aubriet, F.; Carré, V.; Voitenko, Z.; Goeb, S.; Sallé, M.","A self-assembled M2L4 cage incorporating electron-rich 9-(1,3-dithiol-2-ylidene)fluorene units","New J. Chem.","2017","41","9","3238","","10.1039/C7NJ00062F","","x-ray","1.54184","CuKα","","0.0944","0.0727","","","0.205","0.2286","","","","","","1.057","","","","has coordinates","196498","2020-10-21","18:00:00",""
"7056067","17.4676","0.0007","17.8158","0.0006","20.064","0.001","74.016","0.004","67.644","0.004","89.049","0.003","5524","0.5","120","1","120","2","","","","","","","","8","P -1","-P 1","2","","","","- C100 H128 B2 F8 N4 O8 Pd S16 -","- C82 H73 B2 F8 N4 Pd S8 -","- C164 H146 B4 F16 N8 Pd2 S16 -","2","1","","Croué, V.; Krykun, S.; Allain, M.; Morille, Y.; Aubriet, F.; Carré, V.; Voitenko, Z.; Goeb, S.; Sallé, M.","A self-assembled M2L4 cage incorporating electron-rich 9-(1,3-dithiol-2-ylidene)fluorene units","New J. Chem.","2017","41","9","3238","","10.1039/C7NJ00062F","","x-ray","0.67221","synchrotron","","0.2912","0.0908","","","0.2262","0.2725","","","","","","0.708","","","","has coordinates","196498","2020-10-21","18:00:00",""
"7056068","10.3062","0.0015","10.3062","0.0015","8.3458","0.0017","90","","90","","120","","767.7","0.2","153.15","","153.15","","","","","","","","","6","R 3 m :H","R 3 -2""","160","","","","- B3 Be3 F4 Li O9 Sr3 -","- B3 Be3 F4 Li O9 Sr3 -","- B9 Be9 F12 Li3 O27 Sr9 -","3","0.166667","","Guo, Shu; Liang, Fei; Liu, Lijuan; Xia, Mingjun; Fang, Zhi; Wu, Ruofei; Wang, Xiaoyang; Lin, Zheshuai; Chen, Chuangtian","LiSr3Be3B3O9F4: A New Ultraviolet Nonlinear Optical Crystal for Fourth-harmonic Generation of Nd:YAG Lasers","New J. Chem.","2017","","","","","10.1039/C7NJ00160F","","","0.710747","MoKα","","0.0283","0.0278","","","0.0649","0.0651","","","","","","1.076","","","","has coordinates","194353","2020-10-21","18:00:00",""
"7056069","15.71","0.06","8.7","0.03","13.25","0.04","90","","90","","90","","1811","11","203","2","203","2","","","","","","","","6","P c a 21","P 2c -2ac","29","","","","- C12 H11 Co N8 O S2 -","- C12 H11 Co N8 O S2 -","- C48 H44 Co4 N32 O4 S8 -","4","1","","Liu, Yu-Ling; Wu, De-Hong; Wang, Zhongxia; Zhang, Yi","Switchings of dielectric constant, second harmonic generation and polarization in a polar hybrid cyanometallate crystal","New J. Chem.","2017","41","8","3211","","10.1039/C6NJ03973A","","","0.71073","MoKα","","0.1365","0.1198","","","0.3049","0.3222","","","","","","1.095","","","","has coordinates","196482","2020-10-21","18:00:00",""
"7056070","15.033","0.014","8.92","0.01","13.208","0.012","90","","90","","90","","1771","3","293","2","293","2","","","","","","","","6","P n a 21","P 2c -2n","33","","","","- C12 H11 Co N8 O S2 -","- C12 H11 Co N8 O S2 -","- C48 H44 Co4 N32 O4 S8 -","4","1","","Liu, Yu-Ling; Wu, De-Hong; Wang, Zhongxia; Zhang, Yi","Switchings of dielectric constant, second harmonic generation and polarization in a polar hybrid cyanometallate crystal","New J. Chem.","2017","41","8","3211","","10.1039/C6NJ03973A","","","0.71073","MoKα","","0.1095","0.0955","","","0.2817","0.2975","","","","","","1.153","","","","has coordinates,has disorder","196482","2020-10-21","18:00:00",""
"7056071","9.1597","0.0007","10.5684","0.0007","9.9433","0.0007","90","","101.11","0.007","90","","944.51","0.12","173","2","173","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","5-trinitromethyl-3-nitraminotriazole","5-trinitromethyl-3-nitraminotriazole","","- C3 H2 N8 O8 -","- C3 H2 N8 O8 -","- C12 H8 N32 O32 -","4","1","","Hermann, Tobias S.; Klapötke, Thomas M.; Krumm, Burkhard; Stierstorfer, Jörg","The energetic 3-trinitromethyl-5-nitramino-1H-1,2,4-triazole and nitrogen-rich salts","New J. Chem.","2017","41","8","3068","","10.1039/C7NJ00695K","","x-ray","0.71073","MoKα","","0.0373","0.0327","","","0.0794","0.0836","","","","","","1.068","","","","has coordinates","196478","2020-10-21","18:00:00",""
"7056072","6.3932","0.0007","9.4219","0.001","10.9116","0.0011","64.711","0.007","80.374","0.008","73.543","0.007","569.13","0.11","296","2","296","2","","","","","","","","4","P -1","-P 1","2","","","","- Mg5 Na7 O28 P8 -","- Mg4.5 Na7 O28 P8 -","- Mg4.5 Na7 O28 P8 -","1","0.5","","Ma, Ruru; Yang, Yun; Pan, Shilie; Sun, Yanzhou; Yang, Zhihua","Structure comparison and optical properties of Na7Mg4.5(P2O7)4: a sodium magnesium phosphate with isolated P2O7 units","New J. Chem.","2017","41","9","3399","","10.1039/C6NJ03986C","","","0.71073","MoKα","","0.0632","0.0426","","","0.0888","0.0976","","","","","","1.017","","","","has coordinates","196495","2020-10-21","18:00:00",""
"7056073","8.9692","0.0004","9.814","0.0004","20.2915","0.0007","90","","101.814","0.002","90","","1748.3","0.12","150","2","150.15","","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C30 H48 Cl2 N6 Ni O10 -","- C30 H48 Cl2 N6 Ni O10 -","- C60 H96 Cl4 N12 Ni2 O20 -","2","0.5","","Panja, Anangamohan; Jana, Narayan Ch.; Adak, Sarmistha; Brandão, Paula; Dlháň, Lubor; Titiš, Ján; Boča, Roman","The structure and magnetism of mono- and di-nuclear Ni(ii) complexes derived from {N3O}-donor Schiff base ligands","New J. Chem.","2017","41","8","3143","","10.1039/C7NJ00158D","","","0.71073","MoKα","","0.0616","0.0448","","","0.1095","0.1216","","","","","","1.056","","","","has coordinates,has disorder","196486","2020-10-21","18:00:00",""
"7056074","8.0642","0.0002","15.454","0.0004","17.5161","0.0006","90","","101.744","0.001","90","","2137.23","0.11","150","2","150","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C22 H29 N3 Ni O3 -","- C22 H29 N3 Ni O3 -","- C88 H116 N12 Ni4 O12 -","4","1","","Panja, Anangamohan; Jana, Narayan Ch.; Adak, Sarmistha; Brandão, Paula; Dlháň, Lubor; Titiš, Ján; Boča, Roman","The structure and magnetism of mono- and di-nuclear Ni(ii) complexes derived from {N3O}-donor Schiff base ligands","New J. Chem.","2017","41","8","3143","","10.1039/C7NJ00158D","","","0.71073","MoKα","","0.0436","0.0312","","","0.0699","0.075","","","","","","1.026","","","","has coordinates","196486","2020-10-21","18:00:00",""
"7056075","10.8271","0.0007","15.8847","0.001","19.015","0.0013","90","","90.578","0.002","90","","3270.1","0.4","150","2","150","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C32 H48 N8 Ni2 O4 -","- C32 H48 N8 Ni2 O4 -","- C128 H192 N32 Ni8 O16 -","4","1","","Panja, Anangamohan; Jana, Narayan Ch.; Adak, Sarmistha; Brandão, Paula; Dlháň, Lubor; Titiš, Ján; Boča, Roman","The structure and magnetism of mono- and di-nuclear Ni(ii) complexes derived from {N3O}-donor Schiff base ligands","New J. Chem.","2017","41","8","3143","","10.1039/C7NJ00158D","","","0.71073","MoKα","","0.1143","0.0669","","","0.1603","0.1972","","","","","","1.035","","","","has coordinates","196486","2020-10-21","18:00:00",""
"7056076","10.8625","0.0003","12.3213","0.0003","15.8254","0.0004","90","","104.349","0.001","90","","2052","0.09","180","2","180","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C35 H50 N10 Ni2 O3 S4 -","- C35 H50 N10 Ni2 O3 S4 -","- C70 H100 N20 Ni4 O6 S8 -","2","0.5","","Panja, Anangamohan; Jana, Narayan Ch.; Adak, Sarmistha; Brandão, Paula; Dlháň, Lubor; Titiš, Ján; Boča, Roman","The structure and magnetism of mono- and di-nuclear Ni(ii) complexes derived from {N3O}-donor Schiff base ligands","New J. Chem.","2017","41","8","3143","","10.1039/C7NJ00158D","","","0.71073","MoKα","","0.0518","0.036","","","0.0773","0.0849","","","","","","1.064","","","","has coordinates","196486","2020-10-21","18:00:00",""
"7056077","10.8264","0.0006","15.9223","0.0008","19.0138","0.0011","90","","90.451","0.002","90","","3277.5","0.3","150","2","150","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C30 H48 N12 Ni2 O2 -","- C30 H48 N12 Ni2 O2 -","- C120 H192 N48 Ni8 O8 -","4","1","","Panja, Anangamohan; Jana, Narayan Ch.; Adak, Sarmistha; Brandão, Paula; Dlháň, Lubor; Titiš, Ján; Boča, Roman","The structure and magnetism of mono- and di-nuclear Ni(ii) complexes derived from {N3O}-donor Schiff base ligands","New J. Chem.","2017","41","8","3143","","10.1039/C7NJ00158D","","","0.71073","MoKα","","0.1132","0.0775","","","0.1799","0.1988","","","","","","1.18","","","","has coordinates","196486","2020-10-21","18:00:00",""
"7056078","5.5092","0.0017","15.45","0.005","7.287","0.002","90","","90","","90","","620.2","0.3","296","2","296","2","","","","","","","","4","C m c m","-C 2c 2","63","","","","- Ba O6 Pb Si2 -","- Ba O6 Pb Si2 -","- Ba4 O24 Pb4 Si8 -","4","0.25","","Dong, Lingyun; Jia, Liangliang; Wang, Lijun","New lead(II) borates in the PbO/PbF2/H3BO3 ternary phase diagram: syntheses and structures of β-Pb6B10O21 and Pb4B8O16","New J. Chem.","2017","","","","","10.1039/C7NJ00203C","","","0.71073","MoKα","","0.0238","0.0202","","","0.0474","0.0494","","","","","","1.061","","","","has coordinates","194573","2020-10-21","18:00:00",""
"7056079","7.252","0.0011","5.4841","0.0008","24.352","0.004","90","","90","","90","","968.5","0.3","296","2","296","2","","","","","","","","5","P n m a","-P 2ac 2n","62","","","","- Ba2 O10 Pb S Si2 -","- Ba2 O10 Pb S Si2 -","- Ba8 O40 Pb4 S4 Si8 -","4","0.5","","Dong, Lingyun; Jia, Liangliang; Wang, Lijun","New lead(II) borates in the PbO/PbF2/H3BO3 ternary phase diagram: syntheses and structures of β-Pb6B10O21 and Pb4B8O16","New J. Chem.","2017","","","","","10.1039/C7NJ00203C","","","0.71073","MoKα","","0.044","0.0297","","","0.0566","0.0608","","","","","","1.029","","","","has coordinates","194573","2020-10-21","18:00:00",""
"7056080","10.172","0.0005","11.8006","0.0008","12.8576","0.0007","90.105","0.005","101.559","0.005","94.484","0.005","1507.2","0.15","120","","120","","","","","","","","","3","P -1","-P 1","2","","","","- C72 H64 Cl6 -","- C72 H64 Cl6 -","- C72 H64 Cl6 -","1","0.5","","Zhu, Chongwei; Duhayon, Carine; Romero-Borja, Daniel; Maldonado, Jose-Luis; Ramos-Ortiz, Gabriel; Saquet, Alix; Maraval, Valérie; Chauvin, Remi","Hexaaryl-carbo-benzenes revisited: novel synthetic route, crystallographic data, and prospects of electrochemical behavior","New J. Chem.","2017","","","","","10.1039/C7NJ00028F","","","0.71073","MoKα","","0.0836","0.0529","","0.0793","0.0562","0.0516","","","","","","1.1092","","","","has coordinates","194632","2020-10-21","18:00:00",""
"7056081","12.4948","0.0005","16.0972","0.0006","20.2765","0.0009","90","","90","","90","","4078.2","0.3","100","","100","","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C55 H31 Cl3 -","- C55 H31 Cl3 -","- C220 H124 Cl12 -","4","1","","Zhu, Chongwei; Duhayon, Carine; Romero-Borja, Daniel; Maldonado, Jose-Luis; Ramos-Ortiz, Gabriel; Saquet, Alix; Maraval, Valérie; Chauvin, Remi","Hexaaryl-carbo-benzenes revisited: novel synthetic route, crystallographic data, and prospects of electrochemical behavior","New J. Chem.","2017","","","","","10.1039/C7NJ00028F","","","0.71073","MoKα","","0.0461","0.039","","0.0501","0.0393","0.0369","","","","","","1.1134","","","","has coordinates","194632","2020-10-21","18:00:00",""
"7056082","8.291","0.0017","30.783","0.006","7.4857","0.0015","90","","111.19","0.03","90","","1781.3","0.7","173","2","173","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C19 H23 Cl N2 Pd -","- C19 H23 Cl N2 Pd -","- C76 H92 Cl4 N8 Pd4 -","4","1","","Zeng, Yanning; Mahmood, Qaiser; Liang, Tongling; Sun, Wen-Hua","(Co-)polymerization of methylacrylate with NBE/1-hexene by (8-arylimino-5,6,7-trihydroquinolyl)(methyl)palladium chlorides: an approaching mechanism and the polymeric microstructures","New J. Chem.","2017","41","9","3653","","10.1039/C6NJ04019E","","","0.71073","MoKα","","0.0371","0.0352","","","0.0746","0.0789","","","","","","1.011","","","","has coordinates","196496","2020-10-21","18:00:00",""
"7056083","10.871","0.002","29.16","0.006","13.427","0.003","90","","97.44","0.03","90","","4220.5","1.5","173","2","173","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C22 H29 Cl N2 Pd -","- C22 H29 Cl N2 Pd -","- C176 H232 Cl8 N16 Pd8 -","8","2","","Zeng, Yanning; Mahmood, Qaiser; Liang, Tongling; Sun, Wen-Hua","(Co-)polymerization of methylacrylate with NBE/1-hexene by (8-arylimino-5,6,7-trihydroquinolyl)(methyl)palladium chlorides: an approaching mechanism and the polymeric microstructures","New J. Chem.","2017","41","9","3653","","10.1039/C6NJ04019E","","","0.71073","MoKα","","0.094","0.087","","","0.2369","0.2565","","","","","","1.014","","","","has coordinates","196496","2020-10-21","18:00:00",""
"7056084","22.1317","0.0019","7.8771","0.0006","21.0725","0.0018","90","","109.938","0.013","90","","3453.5","0.6","100","2","100","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","{[Cu(dmpzmpy)(C5O5)].H2O}n","","","- C16 H15 Cu N3 O6 -","- C16 H15 Cu N3 O6 -","- C128 H120 Cu8 N24 O48 -","8","1","","Massoud, Salah S.; Williams, Gabrielle F.; Louka, Febee R.; Henary, Maher M.; Herchel, Radovan; Travnicek, Zdenek; Fischer, Roland; Mautner, Franz Andreas","Croconato-bridged copper(II) complexes. Synthesis, structure and magnetic characterization","New J. Chem.","2017","","","","","10.1039/C6NJ03943J","","","0.71073","MoKα","","0.1017","0.096","","","0.2205","0.2234","","","","","","1.282","","","","has coordinates,has disorder","194917","2020-10-21","18:00:00",""
"7056085","13.9834","0.0013","19.8834","0.0019","16.6189","0.0015","90","","112.605","0.004","90","","4265.7","0.7","100","2","100","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","[Cu2(Et4dien)2(C5O5)](ClO4)2.3H2O","","","- C29 H64 Cl2 Cu2 N6 O16 -","- C29 H64 Cl2 Cu2 N6 O16 -","- C116 H256 Cl8 Cu8 N24 O64 -","4","1","","Massoud, Salah S.; Williams, Gabrielle F.; Louka, Febee R.; Henary, Maher M.; Herchel, Radovan; Travnicek, Zdenek; Fischer, Roland; Mautner, Franz Andreas","Croconato-bridged copper(II) complexes. Synthesis, structure and magnetic characterization","New J. Chem.","2017","","","","","10.1039/C6NJ03943J","","","0.71073","MoKα","","0.1276","0.1043","","","0.2423","0.2595","","","","","","1.156","","","","has coordinates,has disorder","194917","2020-10-21","18:00:00",""
"7056086","15.66","0.0012","16.0434","0.0013","20.4427","0.0018","90","","110.511","0.004","90","","4810.4","0.7","100","2","100","2","","","","","","","","6","P 1 21 1","P 2yb","4","[Cu2(C5O5)(pmap)2](ClO4)2.2H2O","","","- C45 H48 Cl2 Cu2 N8 O15 -","- C45 H48 Cl2 Cu2 N8 O15 -","- C180 H192 Cl8 Cu8 N32 O60 -","4","2","","Massoud, Salah S.; Williams, Gabrielle F.; Louka, Febee R.; Henary, Maher M.; Herchel, Radovan; Travnicek, Zdenek; Fischer, Roland; Mautner, Franz Andreas","Croconato-bridged copper(II) complexes. Synthesis, structure and magnetic characterization","New J. Chem.","2017","","","","","10.1039/C6NJ03943J","","","0.71073","MoKα","","0.1052","0.0704","","","0.1575","0.1762","","","","","","1.076","","","","has coordinates,has disorder","194917","2020-10-21","18:00:00",""
"7056087","15.885","0.005","14.941","0.005","16.117","0.005","90","","110.875","0.005","90","","3574","2","296","2","296","2","","","","","","","","5","C 1 c 1","C -2yc","9","","","","- C86 H64 Cu4 N10 O19 -","- C80 H48 Cu4 N8 O17 -","- C160 H96 Cu8 N16 O34 -","2","0.5","","Yang, Liu; Li, Xiao; Sun, Chun-Yi; Wu, Han; Wang, Chun-Gang; Su, Zhong-Min","A stable pillared-layer Cu(ii) metal‒organic framework with magnetic properties for dye adsorption and separation","New J. Chem.","2017","41","9","3661","","10.1039/C7NJ00389G","","","0.71069","MoKα","","0.0956","0.0563","","","0.119","0.1355","","","","","","0.998","","","","has coordinates","196493","2020-10-21","18:00:00",""
"7056088","12.6563","0.001","17.4377","0.0017","23.663","0.003","90","","102.451","0.011","90","","5099.5","0.9","173","2","173.15","","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C57 H57 Cl3 O12 -","- C57 H57 Cl3 O12 -","- C228 H228 Cl12 O48 -","4","0.5","","Boinski, Tomasz; Szumna, Agnieszka","Hybrid[4]arenes with anthracene units and tuneable cavities","New J. Chem.","2017","41","9","3387","","10.1039/C7NJ00039A","","","1.54184","CuKα","","0.1737","0.1234","","","0.3838","0.4288","","","","","","1.345","","","","has coordinates,has disorder","196494","2020-10-21","18:00:00",""
"7056089","8.2328","0.0003","13.6539","0.0006","10.9324","0.0005","90","","102.002","0.002","90","","1202.05","0.09","150","2","150","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C9 H9 Au Cl3 N -","- C9 H9 Au Cl3 N -","- C36 H36 Au4 Cl12 N4 -","4","1","","Anisimova, Tatyana B.; Kinzhalov, Mikhail A.; Guedes da Silva, M. Fátima C.; Novikov, Alexander S.; Kukushkin, Vadim Yu.; Pombeiro, Armando J. L.; Luzyanin, Konstantin V.","Addition of N-nucleophiles to gold(iii)-bound isocyanides leading to short-lived gold(iii) acyclic diaminocarbene complexes","New J. Chem.","2017","41","9","3246","","10.1039/C7NJ00529F","","","0.71073","MoKα","","0.0378","0.0301","","","0.0703","0.0731","","","","","","1.117","","","","has coordinates","196491","2020-10-21","18:00:00",""
"7056090","8.9036","0.0005","21.1337","0.0013","26.6726","0.0016","90","","90","","90","","5018.9","0.5","150","2","150","2","","","","","","","","5","C 2 2 21","C 2c 2","20","","","","- C16 H24 Au Cl5 N2 -","- C16 H24 Au Cl5 N2 -","- C128 H192 Au8 Cl40 N16 -","8","1","","Anisimova, Tatyana B.; Kinzhalov, Mikhail A.; Guedes da Silva, M. Fátima C.; Novikov, Alexander S.; Kukushkin, Vadim Yu.; Pombeiro, Armando J. L.; Luzyanin, Konstantin V.","Addition of N-nucleophiles to gold(iii)-bound isocyanides leading to short-lived gold(iii) acyclic diaminocarbene complexes","New J. Chem.","2017","41","9","3246","","10.1039/C7NJ00529F","","","0.71073","MoKα","","0.0834","0.053","","","0.1278","0.142","","","","","","1.013","","","","has coordinates","196491","2020-10-21","18:00:00",""
"7056091","10.0454","0.001","14.1896","0.0012","19.4905","0.0018","90","","93.721","0.005","90","","2772.3","0.4","150","2","150","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C23 H22 Au Cl6 N3 -","- C23 H22 Au Cl6 N3 -","- C92 H88 Au4 Cl24 N12 -","4","1","","Anisimova, Tatyana B.; Kinzhalov, Mikhail A.; Guedes da Silva, M. Fátima C.; Novikov, Alexander S.; Kukushkin, Vadim Yu.; Pombeiro, Armando J. L.; Luzyanin, Konstantin V.","Addition of N-nucleophiles to gold(iii)-bound isocyanides leading to short-lived gold(iii) acyclic diaminocarbene complexes","New J. Chem.","2017","41","9","3246","","10.1039/C7NJ00529F","","","0.71073","MoKα","","0.0499","0.0312","","","0.0608","0.0661","","","","","","1.012","","","","has coordinates","196491","2020-10-21","18:00:00",""
"7056092","19.1011","0.0005","9.0666","0.00019","32.4789","0.0008","90","","90","","90","","5624.8","0.2","175.6","0.8","175.6","0.8","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C20 H28 N4 O18 Pb4 -","- C20 H26 N4 O18 Pb4 -","- C160 H208 N32 O144 Pb32 -","8","1","","Dai, Jun-Wei; zheng, jianmei; Li, Haiyan; Zhou, Jin-Mei; Dong, Xin; Zhou, Zhao-Hui","Halide assisted formations of polymeric ethylenediaminetetraacetato lead(II) complexes","New J. Chem.","2017","","","","","10.1039/C7NJ00611J","","","0.71073","MoKα","","0.0675","0.0423","","","0.0675","0.0736","","","","","","1.066","","","","has coordinates,has disorder","195256","2020-10-21","18:00:00",""
"7056093","7.5204","0.0004","8.8464","0.0004","13.5079","0.0005","72.888","0.004","81.027","0.004","75.571","0.004","828.46","0.07","173","","173","","","","","","","","","6","P -1","-P 1","2","","","","- C20 H32 Cl2 N4 O20 Pb5 -","- C20 H32 Cl2 N4 O20 Pb5 -","- C20 H32 Cl2 N4 O20 Pb5 -","1","0.5","","Dai, Jun-Wei; zheng, jianmei; Li, Haiyan; Zhou, Jin-Mei; Dong, Xin; Zhou, Zhao-Hui","Halide assisted formations of polymeric ethylenediaminetetraacetato lead(II) complexes","New J. Chem.","2017","","","","","10.1039/C7NJ00611J","","","0.71073","MoKα","","0.03","0.0258","","","0.0596","0.0608","","","","","","1.009","","","","has coordinates","195256","2020-10-21","18:00:00",""
"7056094","8.4173","0.0005","8.4523","0.0006","11.035","0.0008","71.442","0.007","89.744","0.005","76.903","0.006","722.96","0.09","178.7","0.7","178.7","0.7","","","","","","","","5","P -1","-P 1","2","","","","- C20 H28 N4 O18 Pb4 -","- C20 H28 N4 O18 Pb4 -","- C20 H28 N4 O18 Pb4 -","1","0.5","","Dai, Jun-Wei; zheng, jianmei; Li, Haiyan; Zhou, Jin-Mei; Dong, Xin; Zhou, Zhao-Hui","Halide assisted formations of polymeric ethylenediaminetetraacetato lead(II) complexes","New J. Chem.","2017","","","","","10.1039/C7NJ00611J","","","0.71073","MoKα","","0.0462","0.0363","","","0.0684","0.0721","","","","","","1.041","","","","has coordinates","195256","2020-10-21","18:00:00",""
"7056095","7.5998","0.001","8.8154","0.0012","13.729","0.0018","72.365","0.012","80.702","0.011","75.351","0.011","844.5","0.2","176.8","0.3","176.8","0.3","","","","","","","","6","P -1","-P 1","2","","","","- C20 H32 Br2 N4 O20 Pb5 -","- C20 H32 Br2 N4 O20 Pb5 -","- C20 H32 Br2 N4 O20 Pb5 -","1","0.5","","Dai, Jun-Wei; zheng, jianmei; Li, Haiyan; Zhou, Jin-Mei; Dong, Xin; Zhou, Zhao-Hui","Halide assisted formations of polymeric ethylenediaminetetraacetato lead(II) complexes","New J. Chem.","2017","","","","","10.1039/C7NJ00611J","","","0.71073","MoKα","","0.0798","0.0645","","","0.1338","0.1439","","","","","","1.037","","","","has coordinates","195256","2020-10-21","18:00:00",""
"7056096","9.9725","0.0006","13.6991","0.0008","16.1145","0.0009","76.131","0.003","74.391","0.003","84.035","0.003","2056.6","0.2","293","2","293","2","","","","","","","","4","P -1","-P 1","2","","","","- C25 H15 N O8 -","- C25 H15 N O8 -","- C100 H60 N4 O32 -","4","2","","., Mayank; Singh, Amanpreet; Raj, Pushap; Kaur, Randeep; Singh, Ajnesh; Kaur, Navneet; Singh, Narinder","Zwitterionic Liquid (ZIL) Coated CuO as an Efficient Catalyst for the Green Syntheses of Bis-Coumarins derivatives via One-Pot Multi-component Reactions Using Mechanochemistry","New J. Chem.","2017","","","","","10.1039/C6NJ03763A","","","0.71073","MoKα","","0.1877","0.0989","","","0.1657","0.1874","","","","","","1.052","","","","has coordinates","195278","2020-10-21","18:00:00",""
"7056097","9.1088","0.0004","9.372","0.0004","13.9495","0.0005","97.358","0.001","92.518","0.002","118.232","0.001","1033.06","0.07","293","2","293","2","","","","","","","","4","P -1","-P 1","2","","","","- C11 H10 N2 O4 -","- C11 H10 N2 O4 -","- C44 H40 N8 O16 -","4","2","","., Mayank; Singh, Amanpreet; Raj, Pushap; Kaur, Randeep; Singh, Ajnesh; Kaur, Navneet; Singh, Narinder","Zwitterionic Liquid (ZIL) Coated CuO as an Efficient Catalyst for the Green Syntheses of Bis-Coumarins derivatives via One-Pot Multi-component Reactions Using Mechanochemistry","New J. Chem.","2017","","","","","10.1039/C6NJ03763A","","","0.71073","MoKα","","0.0467","0.0391","","","0.1095","0.1149","","","","","","1.06","","","","has coordinates,has disorder","195278","2020-10-21","18:00:00",""
"7056098","7.7936","0.0001","26.5402","0.0002","7.988","0.0001","90","","90.009","0.001","90","","1652.27","0.03","293","2","293","2","","","","","","","Fungus","4","P 1 21 1","P 2yb","4","YX","Talaramide A","","- C18 H21 N O5 -","- C18 H21 N O5 -","- C72 H84 N4 O20 -","4","2","","Chen, Senhua; He, Liqing; Dongni, Chen; Cai, Ruilin; long, yuhua; Lu, Yongjun; She, Zhi-Gang","Talaramide A, an Unusual Alkaloid from the Mangrove Endophytic Fungus Talaromyces sp. (HZ-YX1) as Inhibitor of Mycobacterial PknG","New J. Chem.","2017","","","","","10.1039/C7NJ00059F","","","1.54178","CuKα","","0.047","0.046","","","0.1252","0.1258","","","","","","1.175","","","","has coordinates","195410","2020-10-21","18:00:00",""
"7056099","6.5577","0.0007","31.045","0.003","5.842","0.0006","90","","95.054","0.002","90","","1184.7","0.2","150","2","150","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C6 H6 N12 O4 -","- C6 H6 N12 O4 -","- C24 H24 N48 O16 -","4","1","","Shreeve, Jean'ne M.; Kumar, Dheeraj; Imler, Gregory H.; Parrish, Damon A.","Resolving Synthetic Challenges Faced in the Syntheses of Asymmetric N,N’-Ethylene-Bridged Energetic Compounds","New J. Chem.","2017","","","","","10.1039/C7NJ00327G","","","0.71073","MoKα","","0.0444","0.0353","","","0.0862","0.0909","","","","","","1.039","","","","has coordinates","195482","2020-10-21","18:00:00",""
"7056100","29.426","0.004","8.4217","0.0011","11.1029","0.0014","90","","100.699","0.005","90","","2703.7","0.6","150","2","150","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C6 H4 N13 Na O6 -","- C6 H4 N13 Na O6 -","- C48 H32 N104 Na8 O48 -","8","2","","Shreeve, Jean'ne M.; Kumar, Dheeraj; Imler, Gregory H.; Parrish, Damon A.","Resolving Synthetic Challenges Faced in the Syntheses of Asymmetric N,N’-Ethylene-Bridged Energetic Compounds","New J. Chem.","2017","","","","","10.1039/C7NJ00327G","","","0.71073","MoKα","","0.1383","0.0765","","","0.1766","0.2025","","","","","","1.032","","","","has coordinates","195482","2020-10-21","18:00:00",""
"7056101","11.9211","0.0005","8.3391","0.0004","8.476","0.0004","90","","90","","90","","842.61","0.07","293","2","293","2","","","","","","","","4","P n a 21","P 2c -2n","33","","","","- C4 H3 N5 O6 -","- C4 H3 N5 O6 -","- C16 H12 N20 O24 -","4","1","","Ma, Qing; Jiang, Tao; Chi, Yu; Chen, Ya; Wang, Jun; Huang, Jinglun; Nie, Fude","A novel multi-nitrogen 2,4,6,8,10,12-hexanitrohexaazaisowurtzitane based energetic cocrystal with 1-methyl-3,4,5-trinitropyrazole as a donor: experimental and theoretical investigations of intermolecular interactions","New J. Chem.","2017","","","","","10.1039/C6NJ03976F","","","0.71073","MoKα","","0.0499","0.0386","","","0.0796","0.0912","","","","","","1.044","","","","has coordinates","195533","2020-10-21","18:00:00",""
"7056102","8.3515","0.0003","11.4299","0.0007","11.9398","0.0006","90","","98.663","0.004","90","","1126.73","0.1","293","2","293","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C10 H9 N17 O18 -","- C10 H9 N17 O18 -","- C20 H18 N34 O36 -","2","1","","Ma, Qing; Jiang, Tao; Chi, Yu; Chen, Ya; Wang, Jun; Huang, Jinglun; Nie, Fude","A novel multi-nitrogen 2,4,6,8,10,12-hexanitrohexaazaisowurtzitane based energetic cocrystal with 1-methyl-3,4,5-trinitropyrazole as a donor: experimental and theoretical investigations of intermolecular interactions","New J. Chem.","2017","","","","","10.1039/C6NJ03976F","","","0.71073","MoKα","","0.0719","0.0487","","","0.0855","0.0996","","","","","","1.044","","","","has coordinates","195533","2020-10-21","18:00:00",""
"7056103","5.2605","0.0011","9.4604","0.0019","20.691","0.004","90","","90.7","0.03","90","","1029.6","0.4","293","2","293","2","","","","","","","","2","P 1 21/n 1","-P 2yn","14","","","","- C30 H22 -","- C30 H22 -","- C60 H44 -","2","0.5","","Wu, Dong-En; Wang, Man-Ning; Luo, Yang-Hui; Zhang, Yawen; Ma, Yu-Heng; Sun, Baiwang","Tuning the structures and photophysical properties of 9,10-distyrylanthrance (DSA) via fluorine substitution","New J. Chem.","2017","","","","","10.1039/C6NJ03884K","","","0.71073","MoKα","","0.1681","0.0846","","","0.164","0.194","","","","","","1.003","","","","has coordinates","195534","2020-10-21","18:00:00",""
"7056104","9.363","0.0019","5.22","0.001","21.662","0.004","90","","96.92","0.03","90","","1051","0.4","293","2","293","2","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","","","- C30 H20 F2 -","- C30 H20 F2 -","- C60 H40 F4 -","2","0.5","","Wu, Dong-En; Wang, Man-Ning; Luo, Yang-Hui; Zhang, Yawen; Ma, Yu-Heng; Sun, Baiwang","Tuning the structures and photophysical properties of 9,10-distyrylanthrance (DSA) via fluorine substitution","New J. Chem.","2017","","","","","10.1039/C6NJ03884K","","","0.71073","MoKα","","0.1498","0.1188","","","0.3553","0.3852","","","","","","1.455","","","","has coordinates","195534","2020-10-21","18:00:00",""
"7056105","9.408","0.0019","10.249","0.002","12.766","0.003","106.25","0.03","90.87","0.03","115.16","0.03","1056.8","0.5","293","2","293","2","","","","","","","","3","P -1","-P 1","2","","","","- C30 H20 F2 -","- C30 H20 F2 -","- C60 H40 F4 -","2","1","","Wu, Dong-En; Wang, Man-Ning; Luo, Yang-Hui; Zhang, Yawen; Ma, Yu-Heng; Sun, Baiwang","Tuning the structures and photophysical properties of 9,10-distyrylanthrance (DSA) via fluorine substitution","New J. Chem.","2017","","","","","10.1039/C6NJ03884K","","","0.71073","MoKα","","0.1324","0.0679","","","0.1579","0.1926","","","","","","1.003","","","","has coordinates","195534","2020-10-21","18:00:00",""
"7056106","8.4268","0.0003","9.2446","0.0003","12.4656","0.0004","81.2037","0.0013","85.3644","0.0016","84.7588","0.0016","953.46","0.06","296","2","296","2","","","","","","","","5","P -1","-P 1","2","Ethyl chalcone","(E)-3-(4-(bis(2-chloroethyl)amino)phenyl)-1-(4-ethylphenyl)prop-2-en-1-one","","- C21 H23 Cl2 N O -","- C21 H23 Cl2 N O -","- C42 H46 Cl4 N2 O2 -","2","1","","Xavier, Janet Sabina; Karthikeyan, J.; Velmurugan, Gunasekaran; Manoharan, Muthu Tamizh; Shetty, A. Nityananda","Design and in vitro biological evaluation of substituted chalcones synthesized from Nitrogen mustards as potent microtubule targeted anticancer agents","New J. Chem.","2017","","","","","10.1039/C7NJ00265C","","","0.71073","MoKα","","0.0577","0.0453","","","0.1177","0.1277","","","","","","1.057","","","","has coordinates","195535","2020-10-21","18:00:00",""
"7056107","14.8845","0.0004","16.7875","0.001","8.0709","0.0009","90","","91.708","0.003","90","","2015.8","0.3","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","Chalcone","","- C21 H23 Cl2 N O3 -","- C21 H23 Cl2 N O3 -","- C84 H92 Cl8 N4 O12 -","4","1","","Xavier, Janet Sabina; Karthikeyan, J.; Velmurugan, Gunasekaran; Manoharan, Muthu Tamizh; Shetty, A. Nityananda","Design and in vitro biological evaluation of substituted chalcones synthesized from Nitrogen mustards as potent microtubule targeted anticancer agents","New J. Chem.","2017","","","","","10.1039/C7NJ00265C","","","0.71073","MoKα","","0.0922","0.0458","","","0.1094","0.1472","","","","","","1.063","","","","has coordinates,has disorder","195535","2020-10-21","18:00:00",""
"7056108","8.3361","0.0003","9.1285","0.0004","12.246","0.0005","81.63","0.002","84.562","0.002","83.133","0.002","912.49","0.06","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","Methoxy chalcone","","- C20 H21 Cl2 N O2 -","- C20 H21 Cl2 N O2 -","- C40 H42 Cl4 N2 O4 -","2","1","","Xavier, Janet Sabina; Karthikeyan, J.; Velmurugan, Gunasekaran; Manoharan, Muthu Tamizh; Shetty, A. Nityananda","Design and in vitro biological evaluation of substituted chalcones synthesized from Nitrogen mustards as potent microtubule targeted anticancer agents","New J. Chem.","2017","","","","","10.1039/C7NJ00265C","","","0.71073","MoKα","","0.0595","0.0404","","","0.1091","0.1373","","","","","","0.872","","","","has coordinates,has disorder","195535","2020-10-21","18:00:00",""
"7056109","8.099","0.0002","9.3548","0.0002","12.8639","0.0004","75.6264","0.0012","79.1564","0.0013","79.016","0.0013","916.6","0.04","296","2","296","2","","","","","","","","6","P -1","-P 1","2","Bromo chalcone","(E)-3-(4-(bis(2-chloroethyl)amino)phenyl)-1-(4-bromophenyl)prop-2-en-1-one","","- C19 H18 Br Cl2 N O -","- C18.99 H17.98 Br Cl2 N O -","- C37.98 H35.96 Br2 Cl4 N2 O2 -","2","1","","Xavier, Janet Sabina; Karthikeyan, J.; Velmurugan, Gunasekaran; Manoharan, Muthu Tamizh; Shetty, A. Nityananda","Design and in vitro biological evaluation of substituted chalcones synthesized from Nitrogen mustards as potent microtubule targeted anticancer agents","New J. Chem.","2017","","","","","10.1039/C7NJ00265C","","","0.71073","MoKα","","0.0501","0.0364","","","0.0747","0.0808","","","","","","1.033","","","","has coordinates,has disorder","195535","2020-10-21","18:00:00",""
"7056110","8.1897","0.0004","9.3642","0.0004","12.3569","0.0006","77.946","0.002","81.053","0.002","83.095","0.003","911.7","0.07","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","Chalcone","","- C20 H21 Cl2 N O -","- C20 H21 Cl2 N O -","- C40 H42 Cl4 N2 O2 -","2","1","","Xavier, Janet Sabina; Karthikeyan, J.; Velmurugan, Gunasekaran; Manoharan, Muthu Tamizh; Shetty, A. Nityananda","Design and in vitro biological evaluation of substituted chalcones synthesized from Nitrogen mustards as potent microtubule targeted anticancer agents","New J. Chem.","2017","","","","","10.1039/C7NJ00265C","","","0.71073","MoKα","","0.0757","0.0428","","","0.1058","0.1319","","","","","","1.064","","","","has coordinates,has disorder","195535","2020-10-21","18:00:00",""
"7056111","8.0622","0.0005","9.3324","0.0006","12.5869","0.0008","78.365","0.003","81.741","0.004","81.832","0.004","911.68","0.1","296","2","296","2","","","","","","","","5","P -1","-P 1","2","Nitrochalcone","(E)-3-(4-(bis(2-chloroethyl)amino)phenyl)-1-(4-nitrophenyl)prop-2-en-1-one","","- C19 H18 Cl2 N2 O3 -","- C19 H18 Cl2 N2 O3 -","- C38 H36 Cl4 N4 O6 -","2","1","","Xavier, Janet Sabina; Karthikeyan, J.; Velmurugan, Gunasekaran; Manoharan, Muthu Tamizh; Shetty, A. Nityananda","Design and in vitro biological evaluation of substituted chalcones synthesized from Nitrogen mustards as potent microtubule targeted anticancer agents","New J. Chem.","2017","","","","","10.1039/C7NJ00265C","","","0.71073","MoKα","","0.0792","0.064","","","0.1984","0.2187","","","","","","1.065","","","","has coordinates","195535","2020-10-21","18:00:00",""
"7056112","7.2755","0.0003","12.9036","0.0005","13.5575","0.0005","100.275","0.002","92.818","0.002","96.958","0.002","1239.88","0.08","298","2","298","2","","","","","","","","5","P -1","-P 1","2","","","","- C26 H22 N8 Ni O2 -","- C26 H22 N8 Ni O2 -","- C52 H44 N16 Ni2 O4 -","2","1","","Pramanik, Shuvam; Dutta, Suhana; Roy, Sima; Dinda, Soumitra; Ghorui, Tapas; Mitra, Arup Kumar; Pramanik, Kausikisankar; Ganguly, Sanjib","Luminescent Closed Shell Nickel(II) Pyridyl-azo-oximates and the Open Shell Anion Radical Congener: Molecular and Electronic Structure, Ligand Redox and Biological Activity","New J. Chem.","2017","","","","","10.1039/C7NJ00402H","","","0.71073","MoKα","","0.0416","0.0329","","","0.1004","0.1092","","","","","","0.899","","","","has coordinates","195615","2020-10-21","18:00:00",""
"7056113","15.1732","0.0011","15.568","0.0011","22.2494","0.0016","78.053","0.001","83.127","0.001","62.745","0.001","4569.1","0.6","173","2","173.15","","","","","","","","","7","P -1","-P 1","2","","","","- C92 H72 Ag2 F12 N8 O8 P2 -","- C92 H72 Ag2 F12 N8 O8 P2 -","- C184 H144 Ag4 F24 N16 O16 P4 -","2","1","","Liu, Qingxiang; Wei, Deng-Che; Zhao, Dong-Xue; Sun, Xiao-Feng; Zhao, Zhi-Xiang; Yan, Jing","Macrometallocycle binuclear NHC silver(I) complexes: synthesis, structure and recognition for o-phenylenediamine","New J. Chem.","2017","","","","","10.1039/C7NJ00276A","","","0.71073","MoKα","","0.1152","0.0949","","","0.2722","0.2908","","","","","","1.156","","","","has coordinates","195616","2020-10-21","18:00:00",""
"7056114","11.1719","0.0004","11.2926","0.0004","28.5875","0.001","90","","98.454","0.001","90","","3567.4","0.2","296","2","296.15","","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C76 H64 Ag2 F12 N8 O8 P2 -","- C76 H64 Ag2 F12 N8 O8 P2 -","- C152 H128 Ag4 F24 N16 O16 P4 -","2","0.5","","Liu, Qingxiang; Wei, Deng-Che; Zhao, Dong-Xue; Sun, Xiao-Feng; Zhao, Zhi-Xiang; Yan, Jing","Macrometallocycle binuclear NHC silver(I) complexes: synthesis, structure and recognition for o-phenylenediamine","New J. Chem.","2017","","","","","10.1039/C7NJ00276A","","","0.71073","MoKα","","0.0693","0.06","","","0.142","0.1498","","","","","","1.031","","","","has coordinates,has disorder","195616","2020-10-21","18:00:00",""
"7056115","9.3833","0.0006","20.3902","0.0013","25.4603","0.0016","82.388","0.001","80.031","0.001","85.566","0.002","4748","0.5","173","2","173.15","","","","","","","","","8","P -1","-P 1","2","","","","- C195.4 H165.8 Ag4 Cl1.4 F24 N17 O16 P4 -","- C195.4 H165.8 Ag4 Cl1.4 F24 N17 O16 P4 -","- C195.4 H165.8 Ag4 Cl1.4 F24 N17 O16 P4 -","1","0.5","","Liu, Qingxiang; Wei, Deng-Che; Zhao, Dong-Xue; Sun, Xiao-Feng; Zhao, Zhi-Xiang; Yan, Jing","Macrometallocycle binuclear NHC silver(I) complexes: synthesis, structure and recognition for o-phenylenediamine","New J. Chem.","2017","","","","","10.1039/C7NJ00276A","","","0.71073","MoKα","","0.1133","0.084","","","0.2218","0.2501","","","","","","1.043","","","","has coordinates,has disorder","195616","2020-10-21","18:00:00",""
"7056116","14.458","0.003","14.898","0.003","37.068","0.006","90","","97.327","0.003","90","","7919","3","296","2","296.15","","","","","","","","","8","P 1 21/c 1","-P 2ybc","14","","","","- C80.5 H73 Ag2 Cl F12 N8 O8 P2 -","- C80.5 H73 Ag2 Cl F12 N8 O8 P2 -","- C322 H292 Ag8 Cl4 F48 N32 O32 P8 -","4","1","","Liu, Qingxiang; Wei, Deng-Che; Zhao, Dong-Xue; Sun, Xiao-Feng; Zhao, Zhi-Xiang; Yan, Jing","Macrometallocycle binuclear NHC silver(I) complexes: synthesis, structure and recognition for o-phenylenediamine","New J. Chem.","2017","","","","","10.1039/C7NJ00276A","","","0.71073","MoKα","","0.073","0.0596","","","0.1683","0.1823","","","","","","1.028","","","","has coordinates","195616","2020-10-21","18:00:00",""
"7056117","7.2202","0.0002","10.6578","0.0003","20.9068","0.0005","90","","90","","90","","1608.81","0.07","297","2","297","2","","","","","","","(-)-Menthyl diazoacetate and acrylonitrile","4","P 21 21 21","P 2ac 2ab","19","","(5R)-5-cyano-3-carbmenthoxy-2-pyrazoline","","- C15 H23 N3 O2 -","- C15 H23 N3 O2 -","- C60 H92 N12 O8 -","4","1","","Chen, Cheng; Li, Yan; Jia, Xiangxiang; Li, Feifei; Chen, Fangjuan; Liu, Lijian","Wavelength-Focused Organic Molecule Materials with Diazoacetate or Fumarate as Monofluorophore","New J. Chem.","2017","","","","","10.1039/C6NJ03952A","","","1.54178","CuKα","","0.0335","0.0276","","","0.075","0.0753","","","","","","1.057","","","","has coordinates","195617","2020-10-21","18:00:00",""
"7056118","17.6722","0.0007","17.3463","0.0007","7.397","0.0003","90","","90","","90","","2267.53","0.16","296","2","296","2","","","","","","","","6","A e a 2","A 2 -2ab","41","","","","- C18 H22 Cl2 Cu N8 O3 -","- C18 H22 Cl2 Cu N8 O3 -","- C72 H88 Cl8 Cu4 N32 O12 -","4","0.5","","Lavrenova, Ludmila G.; Kuz'menko, Tatyana A.; Ivanova, Alina D.; Smolentsev, Anton I.; Komarov, Vladislav; Bogomyakov, Artem Stepanovich; Sheludyakova, Lilia A.; Vorontsova, Elena V.","Synthesis, magnetic and cytotoxic properties of copper(II) halide complexes with 1,2,4-triazolo[1,5-a] benzimidazoles","New J. Chem.","2017","","","","","10.1039/C7NJ00533D","","","0.71073","MoKα","","0.0295","0.0278","","","0.0753","0.0763","","","","","","1.066","","","","has coordinates","195686","2020-10-21","18:00:00",""
"7056119","18.028","0.003","7.2842","0.0012","17.278","0.002","90","","92.963","0.01","90","","2265.9","0.6","303","","303","","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C18 H22 Br2 Cu N8 O3 -","- C18 H22 Br2 Cu N8 O3 -","- C72 H88 Br8 Cu4 N32 O12 -","4","0.5","","Lavrenova, Ludmila G.; Kuz'menko, Tatyana A.; Ivanova, Alina D.; Smolentsev, Anton I.; Komarov, Vladislav; Bogomyakov, Artem Stepanovich; Sheludyakova, Lilia A.; Vorontsova, Elena V.","Synthesis, magnetic and cytotoxic properties of copper(II) halide complexes with 1,2,4-triazolo[1,5-a] benzimidazoles","New J. Chem.","2017","","","","","10.1039/C7NJ00533D","","","1.54178","CuKα","","0.0666","0.0551","","","0.1406","0.1452","","","","","","1.116","","","","has coordinates","195686","2020-10-21","18:00:00",""
"7056120","13.9357","0.0003","6.6873","0.0001","27.1213","0.0004","90","","92.325","0.001","90","","2525.41","0.08","273","2","273","2","","","","","","","","7","C 1 2/c 1","-C 2yc","15","","","","- C16 H26 Cl2 Cu N6 O8 S2 -","- C16 H26 Cl2 Cu N6 O8 S2 -","- C64 H104 Cl8 Cu4 N24 O32 S8 -","4","0.5","","Das, Saurabh; Santra, Ramesh Chandra; Ganguly, Durba; Jana, Subrata; Banyal, Neha; Singh, Jyotsna; Saha, Abhijit; Chattopadhyay, Shouvik; Mukhopadhyay, Kasturi","Synthesizing a CuII complex of tinidazole to tune the generation of the nitro radical anion in order to strike a balance between efficacy and toxic side effects","New J. Chem.","2017","","","","","10.1039/C7NJ00261K","","","0.71073","MoKα","","0.0356","0.0306","","","0.0829","0.0866","","","","","","1.057","","","","has coordinates","195774","2020-10-21","18:00:00",""
"7056121","10.4417","0.0003","17.767","0.0005","10.7908","0.0003","90","","101.367","0.001","90","","1962.62","0.1","295","2","295","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C22 H15 N4 O5 V -","- C22 H15 N4 O5 V -","- C88 H60 N16 O20 V4 -","4","1","","Shit, Madhusudan; Bera, Sachinath; Maity, Suvendu; Weyhermueller, Thomas; Ghosh, Prasanta","Coordination of o-benzosemiquinonate, o-iminobenzosemiquinonate and aldimine anion radicals to oxidovanadium(IV)","New J. Chem.","2017","","","","","10.1039/C7NJ00186J","","","0.71073","MoKα","","0.0872","0.0557","","","0.135","0.1565","","","","","","1.022","","","","has coordinates","195799","2020-10-21","18:00:00",""
"7056122","15.194","0.002","19.427","0.002","9.3109","0.0005","90","","106.744","0.006","90","","2631.8","0.5","100","2","100","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C30 H31 N2 O4 V -","- C30 H31 N2 O4 V -","- C120 H124 N8 O16 V4 -","4","1","","Shit, Madhusudan; Bera, Sachinath; Maity, Suvendu; Weyhermueller, Thomas; Ghosh, Prasanta","Coordination of o-benzosemiquinonate, o-iminobenzosemiquinonate and aldimine anion radicals to oxidovanadium(IV)","New J. Chem.","2017","","","","","10.1039/C7NJ00186J","","","0.71073","MoKα","","0.0437","0.0336","","","0.0842","0.0908","","","","","","1.052","","","","has coordinates","195799","2020-10-21","18:00:00",""
"7056123","15.213","0.003","9.5292","0.0012","12.588","0.002","90","","99.66","0.02","90","","1799","0.5","100","2","100","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C21 H18 N2 O4 V -","- C21 H18 N2 O4 V -","- C84 H72 N8 O16 V4 -","4","1","","Shit, Madhusudan; Bera, Sachinath; Maity, Suvendu; Weyhermueller, Thomas; Ghosh, Prasanta","Coordination of o-benzosemiquinonate, o-iminobenzosemiquinonate and aldimine anion radicals to oxidovanadium(IV)","New J. Chem.","2017","","","","","10.1039/C7NJ00186J","","","0.71073","MoKα","","0.0819","0.0479","","","0.0903","0.1031","","","","","","1.06","","","","has coordinates","195799","2020-10-21","18:00:00",""
"7056124","29.889","0.002","14.192","0.0008","20.2188","0.0013","90","","129.985","0.004","90","","6571.4","0.8","293","2","293","2","","","","","","","","7","C 1 2/c 1","-C 2yc","15","","","","- C32.5 H23 Cl N4 O8 S V2 -","- C32.5 H23 Cl N4 O8 S V2 -","- C260 H184 Cl8 N32 O64 S8 V16 -","8","1","","Shit, Madhusudan; Bera, Sachinath; Maity, Suvendu; Weyhermueller, Thomas; Ghosh, Prasanta","Coordination of o-benzosemiquinonate, o-iminobenzosemiquinonate and aldimine anion radicals to oxidovanadium(IV)","New J. Chem.","2017","","","","","10.1039/C7NJ00186J","","","0.71073","MoKα","","0.0781","0.0569","","","0.1603","0.1851","","","","","","1.054","","","","has coordinates","195799","2020-10-21","18:00:00",""
"7056125","14.6581","0.0002","16.2338","0.0002","16.55","0.0002","90","","92.759","0.001","90","","3933.62","0.09","293","2","293","2","","","","","","","","8","P 1 21/c 1","-P 2ybc","14","","ct-[RuCl(CO)(dppb)(bipy)]PF6","","- C39 H36 Cl F6 N2 O P3 Ru -","- C39 H36 Cl F6 N2 O P3 Ru -","- C156 H144 Cl4 F24 N8 O4 P12 Ru4 -","4","1","","Barbosa, Marilia; Correa, Rodrigo S.; Bastos, Tanira; Pozzi, Lucas; Moreira, Diogo R.; Ellena, Javier A.; Doriguetto, Antonio C.; Silveira, Rafael; Rodrigues de Oliveira, Clayton; Kuznetsov, Aleksey E.; Malta, Valeria rodrigues dos santos; Soares, Milena Botelho; Batista, Alzir A.","Structural isomerism of Ru(II)-carbonyl complexes: synthesis, characterization and their antitrypanosomal activities","New J. Chem.","2017","","","","","10.1039/C7NJ00125H","","x-ray","0.7107","MoKα","","0.0783","0.0533","","","0.1388","0.1659","","","","","","1.063","","","","has coordinates","195865","2020-10-21","18:00:00",""
"7056126","12.495","0.0004","16.3401","0.0006","19.2663","0.0006","90","","101.085","0.002","90","","3860.2","0.2","293","2","293","2","","","","","","","","8","P 1 21/c 1","-P 2ybc","14","","","","- C41 H36 Cl F6 N2 O P3 Ru -","- C41 H36 Cl F6 N2 O P3 Ru -","- C164 H144 Cl4 F24 N8 O4 P12 Ru4 -","4","1","","Barbosa, Marilia; Correa, Rodrigo S.; Bastos, Tanira; Pozzi, Lucas; Moreira, Diogo R.; Ellena, Javier A.; Doriguetto, Antonio C.; Silveira, Rafael; Rodrigues de Oliveira, Clayton; Kuznetsov, Aleksey E.; Malta, Valeria rodrigues dos santos; Soares, Milena Botelho; Batista, Alzir A.","Structural isomerism of Ru(II)-carbonyl complexes: synthesis, characterization and their antitrypanosomal activities","New J. Chem.","2017","","","","","10.1039/C7NJ00125H","","x-ray","0.71073","MoKα","","0.0589","0.0579","","","0.1331","0.1338","","","","","","1.201","","","","has coordinates","195865","2020-10-21","18:00:00",""
"7056127","15.396","0.007","15.396","0.007","14.482","0.015","90","","90","","90","","3433","4","296","2","296","2","","","","","","","","5","I -4 2 d","I -4 2bw","122","","","","- C44 H20 F8 N4 Pt -","- C44 H20 F8 N4 Pt -","- C176 H80 F32 N16 Pt4 -","4","0.25","","Arunkumar, Chellaiah; Kooriyaden, Fasalu Rahman; Zhang, Xiaochen; Subramaniam, Sujatha; Zhao, Jianzhang","Fluorinated meso-tetraaryl Pt(II)-porphyrins: Structure, Photophysical, Electrochemical and Phosphorescent Oxygen Sensing Studies","New J. Chem.","2017","","","","","10.1039/C7NJ01141E","","","0.71073","MoKα","","0.0415","0.0307","","","0.0755","0.0984","","","","","","1.176","","","","has coordinates","195906","2020-10-21","18:00:00",""
"7056128","16.2871","0.0007","8.7492","0.0003","16.0372","0.0005","90","","113.761","0.002","90","","2091.57","0.14","296","2","296","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C48 H24 F12 N4 Pt -","- C48 H24 F12 N4 Pt -","- C96 H48 F24 N8 Pt2 -","2","0.5","","Arunkumar, Chellaiah; Kooriyaden, Fasalu Rahman; Zhang, Xiaochen; Subramaniam, Sujatha; Zhao, Jianzhang","Fluorinated meso-tetraaryl Pt(II)-porphyrins: Structure, Photophysical, Electrochemical and Phosphorescent Oxygen Sensing Studies","New J. Chem.","2017","","","","","10.1039/C7NJ01141E","","","0.71073","MoKα","","0.042","0.0251","","","0.0648","0.0725","","","","","","1.104","","","","has coordinates","195906","2020-10-21","18:00:00",""
"7056129","13.9647","0.0005","17.0557","0.0006","12.7566","0.0004","90","","110.58","0.001","90","","2844.44","0.17","293","2","293","2","","","","","","","","7","C 1 2/m 1","-C 2y","12","","","","- C48 H34 Cl2 F8 N4 O16 Pt -","- C48 H26 Cl2 F8 N4 O16 Pt -","- C96 H52 Cl4 F16 N8 O32 Pt2 -","2","0.25","","Arunkumar, Chellaiah; Kooriyaden, Fasalu Rahman; Zhang, Xiaochen; Subramaniam, Sujatha; Zhao, Jianzhang","Fluorinated meso-tetraaryl Pt(II)-porphyrins: Structure, Photophysical, Electrochemical and Phosphorescent Oxygen Sensing Studies","New J. Chem.","2017","","","","","10.1039/C7NJ01141E","","","0.71073","MoKα","","0.0359","0.0359","","","0.0969","0.0969","","","","","","1.169","","","","has coordinates,has disorder","195906","2020-10-21","18:00:00",""
"7056130","12.8728","0.0015","9.7876","0.0011","15.2958","0.0019","90","","112.529","0.004","90","","1780.1","0.4","100","2","100","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C43 H35 Cl3 O4 -","- C43 H35 Cl3 O4 -","- C86 H70 Cl6 O8 -","2","1","","Jhulki, Samik; Bajpai, Alankriti; Nagarajaiah, H.; Chow, Tahsin J.; Moorthy, J. Narasimha","Tri- and tetraarylanthracenes with novel λ, χ and ψ topologies as blue-emissive as well as fluorescent host materials in organic light-emitting diodes (OLEDs)","New J. Chem.","2017","","","","","10.1039/C7NJ00324B","","","0.71073","MoKα","","0.1687","0.0962","","","0.2254","0.2441","","","","","","1.303","","","","has coordinates","195907","2020-10-21","18:00:00",""
"7056131","15.7016","0.0007","9.8725","0.0005","25.8617","0.0012","90","","99.232","0.001","90","","3957","0.3","273","2","273","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C87 H68 Cl12 O8 -","- C87 H68 Cl12 O8 -","- C174 H136 Cl24 O16 -","2","1","","Jhulki, Samik; Bajpai, Alankriti; Nagarajaiah, H.; Chow, Tahsin J.; Moorthy, J. Narasimha","Tri- and tetraarylanthracenes with novel λ, χ and ψ topologies as blue-emissive as well as fluorescent host materials in organic light-emitting diodes (OLEDs)","New J. Chem.","2017","","","","","10.1039/C7NJ00324B","","","0.71073","MoKα","","0.1725","0.0921","","","0.2","0.2233","","","","","","1.125","","","","has coordinates,has disorder","195907","2020-10-21","18:00:00",""
"7056132","9.5927","0.0012","9.8024","0.0011","12.2341","0.0016","69.693","0.011","88.749","0.01","76.188","0.01","1045.3","0.2","150","2","150","2","","","","","","","","5","P -1","-P 1","2","","","","- C42 H46 Mo2 N6 O10 -","- C42 H46 Mo2 N6 O10 -","- C42 H46 Mo2 N6 O10 -","1","0.5","","Biswal, Debanjana; Pramanik, Nikhil Ranjan; Chakrabarti, Syamal; Drew, Michael G. B.; Sarkar, Bithika; Maurya, Mannar R.; Mukherjee, Sanjib K.; Chowdhury, Pramit","New polymeric, dimeric and mononuclear dioxidomolybdenum(vi) complexes with an ONO donor ligand: crystal structures, DFT calculations, catalytic performance and protein binding study of the ligand","New J. Chem.","2017","","","","","10.1039/C7NJ00136C","","","0.71073","MoKα","","0.1125","0.0895","","","0.1996","0.213","","","","","","1.119","","","","has coordinates,has disorder","195954","2020-10-21","18:00:00",""
"7056133","10.252","0.006","15.389","0.008","14.046","0.008","90","","100.56","0.009","90","","2178","2","296","2","296","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C23 H22 Mo N4 O4 -","- C23 H22 Mo N4 O4 -","- C92 H88 Mo4 N16 O16 -","4","1","","Biswal, Debanjana; Pramanik, Nikhil Ranjan; Chakrabarti, Syamal; Drew, Michael G. B.; Sarkar, Bithika; Maurya, Mannar R.; Mukherjee, Sanjib K.; Chowdhury, Pramit","New polymeric, dimeric and mononuclear dioxidomolybdenum(vi) complexes with an ONO donor ligand: crystal structures, DFT calculations, catalytic performance and protein binding study of the ligand","New J. Chem.","2017","","","","","10.1039/C7NJ00136C","","","0.71073","MoKα","","0.1172","0.054","","","0.0994","0.1235","","","","","","0.98","","","","has coordinates","195954","2020-10-21","18:00:00",""
"7056134","11.092","0.004","8.109","0.003","18.807","0.006","90","","105.213","0.016","90","","1632.3","1","296","2","296","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C17 H15 Mo N3 O4 -","- C17 H15 Mo N3 O4 -","- C68 H60 Mo4 N12 O16 -","4","1","","Biswal, Debanjana; Pramanik, Nikhil Ranjan; Chakrabarti, Syamal; Drew, Michael G. B.; Sarkar, Bithika; Maurya, Mannar R.; Mukherjee, Sanjib K.; Chowdhury, Pramit","New polymeric, dimeric and mononuclear dioxidomolybdenum(vi) complexes with an ONO donor ligand: crystal structures, DFT calculations, catalytic performance and protein binding study of the ligand","New J. Chem.","2017","","","","","10.1039/C7NJ00136C","","","0.71073","MoKα","","0.0799","0.059","","","0.1767","0.2021","","","","","","1.087","","","","has coordinates","195954","2020-10-21","18:00:00",""
"7056135","13.8977","0.0007","7.1879","0.0003","20.6638","0.0007","90","","98.207","0.004","90","","2043.08","0.15","150","2","150","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C19 H21 Mo N3 O5 S -","- C19 H21 Mo N3 O5 S -","- C76 H84 Mo4 N12 O20 S4 -","4","1","","Biswal, Debanjana; Pramanik, Nikhil Ranjan; Chakrabarti, Syamal; Drew, Michael G. B.; Sarkar, Bithika; Maurya, Mannar R.; Mukherjee, Sanjib K.; Chowdhury, Pramit","New polymeric, dimeric and mononuclear dioxidomolybdenum(vi) complexes with an ONO donor ligand: crystal structures, DFT calculations, catalytic performance and protein binding study of the ligand","New J. Chem.","2017","","","","","10.1039/C7NJ00136C","","","0.71073","MoKα","","0.0556","0.0415","","","0.0857","0.0919","","","","","","1.057","","","","has coordinates","195954","2020-10-21","18:00:00",""
"7056136","28.2944","0.001","7.8023","0.0003","21.3607","0.0007","90","","100.514","0.003","90","","4636.4","0.3","180","2","180","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C23 H23 Mo N5 O4 -","- C23 H23 Mo N5 O4 -","- C184 H184 Mo8 N40 O32 -","8","2","","Biswal, Debanjana; Pramanik, Nikhil Ranjan; Chakrabarti, Syamal; Drew, Michael G. B.; Sarkar, Bithika; Maurya, Mannar R.; Mukherjee, Sanjib K.; Chowdhury, Pramit","New polymeric, dimeric and mononuclear dioxidomolybdenum(vi) complexes with an ONO donor ligand: crystal structures, DFT calculations, catalytic performance and protein binding study of the ligand","New J. Chem.","2017","","","","","10.1039/C7NJ00136C","","","0.71073","MoKα","","0.1174","0.0647","","","0.0913","0.1057","","","","","","0.993","","","","has coordinates,has disorder","195954","2020-10-21","18:00:00",""
"7056139","9.371","0.004","14.361","0.007","15.685","0.006","90","","101.28","0.03","90","","2070.1","1.6","180","2","180","","","","","","","","synthesis as described","5","C 1 2/c 1","-C 2yc","15","Ethylbiquinoxen","N,N'-diethyl-3,3'-biquinoxalinium bis(tetrafluoroborate)","","- C20 H20 B2 F8 N4 -","- C20 H20 B2 F8 N4 -","- C80 H80 B8 F32 N16 -","4","0.5","","Leblanc, Nicolas; Sproules, Stephen; Powell, Annie K.","An alternative method to access diverse N,N′-diquaternised-3,3′-biquinoxalinium “biquinoxen” dications","New J. Chem.","2017","41","8","2949","","10.1039/C7NJ00531H","","","0.71073","MoKα","","0.0486","0.0389","","","0.0981","0.1082","","","","","","1.071","","","","has coordinates","196246","2020-10-21","18:00:00",""
"7056140","5.6408","0.0008","10.3136","0.001","12.233","0.002","74.13","0.005","89.422","0.006","86.861","0.006","683.52","0.16","296","2","296","2","","","","","","","","4","P -1","-P 1","2","","","","- C17 H15 N O2 -","- C17 H15 N O2 -","- C34 H30 N2 O4 -","2","1","","Dawange, Monali; Parekh, Nikita; Kumbhar, Avinash; Dehaen, Wim; Kusurkar, Radhika","A synthetic route towards 3,4-disubstituted pyrrolidin-2-ones via a Michael addition and reductive ring closing strategy","New J. Chem.","2017","41","9","3612","","10.1039/C6NJ04051A","","","1.54178","CuKα","","0.0966","0.0806","","","0.24","0.2647","","","","","","1.021","","","","has coordinates","196247","2020-10-21","18:00:00",""
"7056141","5.2152","0.00007","9.8984","0.00014","23.0406","0.0003","90","","94.557","0.0005","90","","1185.65","0.03","250","2","250","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C13 H15 N O3 -","- C13 H15 N O3 -","- C52 H60 N4 O12 -","4","1","","Dawange, Monali; Parekh, Nikita; Kumbhar, Avinash; Dehaen, Wim; Kusurkar, Radhika","A synthetic route towards 3,4-disubstituted pyrrolidin-2-ones via a Michael addition and reductive ring closing strategy","New J. Chem.","2017","41","9","3612","","10.1039/C6NJ04051A","","","0.71073","MoKα","","0.0501","0.0449","","","0.1212","0.1264","","","","","","1.043","","","","has coordinates,has disorder","196247","2020-10-21","18:00:00",""
"7056142","6.42","0.0005","8.6707","0.0007","12.9072","0.001","85.11","0.007","88.215","0.006","83.692","0.006","711.37","0.1","293","2","293","2","","","","","","","","5","P -1","-P 1","2","CuTECP","5,10,15,20-tetra-(ethoxylcarbonyl)porphyrin copper(II)","","- C32 H28 Cu N4 O8 -","- C32 H28 Cu N4 O8 -","- C32 H28 Cu N4 O8 -","1","0.5","","Wang, Hua-Hua; Wen, Wei-Hong; Zou, Huai-Bo; Cheng, Fan; Ali, Atif; Shi, Lei; Liu, Hai-Yang; Chang, Chi-Kwong","Copper porphyrin catalyzed esterification of C(sp3)‒H via a cross-dehydrogenative coupling reaction","New J. Chem.","2017","41","9","3508","","10.1039/C6NJ03876J","","","1.54184","CuKα","","0.043","0.038","","","0.0957","0.1016","","","","","","1.041","","","","has coordinates","196248","2020-10-21","18:00:00",""
"7056143","10.5522","0.0012","11.3163","0.0018","13.8002","0.0013","90","","104.277","0.004","90","","1597","0.3","100","2","100","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C15 H18 I N3 O Pd -","- C15 H18 I N3 O Pd -","- C60 H72 I4 N12 O4 Pd4 -","4","1","","Pandiri, Hanumanprasad; Soni, Vineeta; Gonnade, Rajesh G.; Punji, Benudhar","Development of (quinolinyl)amido-based pincer palladium complexes: a robust and phosphine-free catalyst system for C‒H arylation of benzothiazoles","New J. Chem.","2017","41","9","3543","","10.1039/C7NJ00452D","","","0.71073","MoKα","","0.0253","0.0195","","","0.0379","0.0392","","","","","","1.19","","","","has coordinates","196249","2020-10-21","18:00:00",""
"7056144","10.8321","0.0004","23.7645","0.0008","6.9558","0.0002","90","","103.107","0.002","90","","1743.91","0.1","200","2","200","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C17 H23 N3 O4 Pd -","- C17 H23 N3 O4 Pd -","- C68 H92 N12 O16 Pd4 -","4","1","","Pandiri, Hanumanprasad; Soni, Vineeta; Gonnade, Rajesh G.; Punji, Benudhar","Development of (quinolinyl)amido-based pincer palladium complexes: a robust and phosphine-free catalyst system for C‒H arylation of benzothiazoles","New J. Chem.","2017","41","9","3543","","10.1039/C7NJ00452D","","","0.71073","MoKα","","0.0742","0.0621","","","0.1062","0.1099","","","","","","1.3","","","","has coordinates","196249","2020-10-21","18:00:00",""
"7056145","14.7945","0.0006","13.148","0.0005","16.0956","0.0007","90","","102.202","0.002","90","","3060.2","0.2","150","2","150","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C15 H18 Cl N3 O Pd -","- C15 H18 Cl N3 O Pd -","- C120 H144 Cl8 N24 O8 Pd8 -","8","1","","Pandiri, Hanumanprasad; Soni, Vineeta; Gonnade, Rajesh G.; Punji, Benudhar","Development of (quinolinyl)amido-based pincer palladium complexes: a robust and phosphine-free catalyst system for C‒H arylation of benzothiazoles","New J. Chem.","2017","41","9","3543","","10.1039/C7NJ00452D","","","0.71073","MoKα","","0.0187","0.0181","","","0.042","0.0423","","","","","","1.101","","","","has coordinates","196249","2020-10-21","18:00:00",""
"7056146","9.6605","0.0006","22.2522","0.0014","11.3772","0.0007","90","","106.976","0.002","90","","2339.2","0.3","296","2","296","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C24 H15 N O8 Zn2 -","- C24 H15 N O8 Zn2 -","- C96 H60 N4 O32 Zn8 -","4","1","","Lu, Lu; Wang, Jun; Xie, Bin; Liu, Jian-Qiang; Yadav, Reena; Singh, Amita; Kumar, Abhinav","Fluorescence sensing of nitro-aromatics by Zn(ii) and Cd(ii) based coordination polymers having the 5-[bis(4-carboxybenzyl)-amino]isophthalic acid ligand","New J. Chem.","2017","41","9","3537","","10.1039/C7NJ00183E","","","0.71073","MoKα","","0.0374","0.03","","","0.0791","0.0823","","","","","","1.084","","","","has coordinates","196250","2020-10-21","18:00:00",""
"7056147","25.448","0.015","15.151","0.008","11.157","0.007","90","","108.613","0.01","90","","4077","4","150","2","150","2","","","","","","","","5","C 1 c 1","C -2yc","9","","","","- C48 H35 N5 O10 Zn2 -","- C48 H35 N5 O10 Zn2 -","- C192 H140 N20 O40 Zn8 -","4","1","","Lu, Lu; Wang, Jun; Xie, Bin; Liu, Jian-Qiang; Yadav, Reena; Singh, Amita; Kumar, Abhinav","Fluorescence sensing of nitro-aromatics by Zn(ii) and Cd(ii) based coordination polymers having the 5-[bis(4-carboxybenzyl)-amino]isophthalic acid ligand","New J. Chem.","2017","41","9","3537","","10.1039/C7NJ00183E","","","0.71073","MoKα","","0.0668","0.0455","","","0.096","0.1235","","","","","","1.013","","","","has coordinates","196250","2020-10-21","18:00:00",""
"7056148","14.915","0.0009","15.7739","0.0009","16.032","0.0009","100.659","0.0007","112.209","0.0006","107.228","0.0007","3141.7","0.3","100","2","100.15","","","","","","","","","6","P -1","-P 1","2","","","","- C48 H32 Cd3 N2 Na2 O26 -","- C48 H32 Cd3 N2 Na2 O26 -","- C96 H64 Cd6 N4 Na4 O52 -","2","1","","Lu, Lu; Wang, Jun; Xie, Bin; Liu, Jian-Qiang; Yadav, Reena; Singh, Amita; Kumar, Abhinav","Fluorescence sensing of nitro-aromatics by Zn(ii) and Cd(ii) based coordination polymers having the 5-[bis(4-carboxybenzyl)-amino]isophthalic acid ligand","New J. Chem.","2017","41","9","3537","","10.1039/C7NJ00183E","","","0.71073","MoKα","","0.0721","0.0587","","","0.1633","0.1778","","","","","","1.026","","","","has coordinates,has disorder","196250","2020-10-21","18:00:00",""
"7056149","7.3373","0.0003","10.1984","0.0005","12.8665","0.0007","94.353","0.003","105.694","0.003","101.173","0.003","900.89","0.08","123","2","123","2","","","","","","","","5","P -1","-P 1","2","","","","- C15 H17 I N4 Pt -","- C15 H17 I N4 Pt -","- C30 H34 I2 N8 Pt2 -","2","1","","Ghosh, Biswa Nath; Schlecht, Sabine; Bauzá, Antonio; Frontera, Antonio","Mononuclear and dinuclear trimethylplatinum(iv) iodide complexes of 3-substituted pyridines","New J. Chem.","2017","41","9","3498","","10.1039/C7NJ00337D","","","0.71073","MoKα","","0.0348","0.0295","","","0.0665","0.0692","","","","","","1.066","","","","has coordinates","196251","2020-10-21","18:00:00",""
"7056150","13.06443","0.00014","10.05977","0.00012","13.11539","0.00014","90","","92.2805","0.001","90","","1722.33","0.03","173","2","173","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C15 H17 I N4 Pt -","- C15 H17 I N4 Pt -","- C60 H68 I4 N16 Pt4 -","4","1","","Ghosh, Biswa Nath; Schlecht, Sabine; Bauzá, Antonio; Frontera, Antonio","Mononuclear and dinuclear trimethylplatinum(iv) iodide complexes of 3-substituted pyridines","New J. Chem.","2017","41","9","3498","","10.1039/C7NJ00337D","","","0.71073","MoKα","","0.0244","0.0227","","","0.0571","0.0581","","","","","","1.07","","","","has coordinates","196251","2020-10-21","18:00:00",""
"7056151","7.74628","0.00016","30.9134","0.0008","9.8163","0.0002","90","","93.4459","0.0018","90","","2346.4","0.09","173","2","173","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C18 H26 I2 N4 Pt2 -","- C18 H26 I2 N4 Pt2 -","- C72 H104 I8 N16 Pt8 -","4","1","","Ghosh, Biswa Nath; Schlecht, Sabine; Bauzá, Antonio; Frontera, Antonio","Mononuclear and dinuclear trimethylplatinum(iv) iodide complexes of 3-substituted pyridines","New J. Chem.","2017","41","9","3498","","10.1039/C7NJ00337D","","","0.71073","MoKα","","0.0374","0.0346","","","0.0806","0.0826","","","","","","1.131","","","","has coordinates","196251","2020-10-21","18:00:00",""
"7056152","14.7578","0.0015","7.6872","0.0009","17.2104","0.0018","90","","113.803","0.011","90","","1786.4","0.4","193","2","193","2","","","","","","","","6","P 1 21/a 1","-P 2yab","14","","","","- C15 H23 I N2 O2 Pt -","- C15 H23 I N2 O2 Pt -","- C60 H92 I4 N8 O8 Pt4 -","4","1","","Ghosh, Biswa Nath; Schlecht, Sabine; Bauzá, Antonio; Frontera, Antonio","Mononuclear and dinuclear trimethylplatinum(iv) iodide complexes of 3-substituted pyridines","New J. Chem.","2017","41","9","3498","","10.1039/C7NJ00337D","","","0.71073","MoKα","","0.029","0.0245","","","0.0638","0.065","","","","","","1.012","","","","has coordinates","196251","2020-10-21","18:00:00",""
"7056153","8.24465","0.00015","13.0479","0.0002","11.24762","0.00019","90","","95.0865","0.0019","90","","1205.2","0.04","173","2","173","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C16 H26 Br2 I2 N2 Pt2 -","- C16 H26 Br2 I2 N2 Pt2 -","- C32 H52 Br4 I4 N4 Pt4 -","2","0.5","","Ghosh, Biswa Nath; Schlecht, Sabine; Bauzá, Antonio; Frontera, Antonio","Mononuclear and dinuclear trimethylplatinum(iv) iodide complexes of 3-substituted pyridines","New J. Chem.","2017","41","9","3498","","10.1039/C7NJ00337D","","","0.71073","MoKα","","0.0203","0.019","","","0.0443","0.045","","","","","","1.044","","","","has coordinates","196251","2020-10-21","18:00:00",""
"7056154","10.5118","0.0005","13.8528","0.0008","19.5175","0.0006","98.402","0.004","90.407","0.003","90.95","0.004","2811.1","0.2","130","1","130","1","","","","","","","","4","P -1","-P 1","2","","","","- C50 H46 O14 Si10 -","- C50 H46 O14 Si10 -","- C100 H92 O28 Si20 -","2","1","","Walczak, M.; Januszewski, R.; Majchrzak, M.; Kubicki, M.; Dudziec, B.; Marciniec, B.","Unusual cis and trans architecture of dihydrofunctional double-decker shaped silsesquioxane and synthesis of its ethyl bridged π-conjugated arene derivatives","New J. Chem.","2017","41","9","3290","","10.1039/C7NJ00255F","","","0.7107","MoKα","","0.0725","0.0472","","","0.125","0.1361","","","","","","1.064","","","","has coordinates,has disorder","196252","2020-10-21","18:00:00",""
"7056155","8.2968","0.0003","11.2161","0.0005","27.6291","0.001","90","","97.453","0.003","90","","2549.38","0.17","130","2","130","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","2,3-dicyano-5,6-bis-4-(benzyloxy)phenyl pyrazine","","- C32 H22 N4 O2 -","- C32 H22 N4 O2 -","- C128 H88 N16 O8 -","4","1","","Tillo, Adam; Mlynarczyk, Dariusz T.; Popenda, Lukasz; Wicher, Barbara; Kryjewski, Michal; Szczolko, Wojciech; Jurga, Stefan; Mielcarek, Jadwiga; Gdaniec, Maria; Goslinski, Tomasz; Tykarska, Ewa","Synthesis and singlet oxygen generation of pyrazinoporphyrazines containing dendrimeric aryl substituents","New J. Chem.","2017","41","9","3586","","10.1039/C6NJ03886G","","","0.71073","MoKα","","0.0741","0.0461","","","0.0859","0.0973","","","","","","1.042","","","","has coordinates","196253","2020-10-21","18:00:00",""
"7056156","23.8249","0.0007","15.5643","0.0004","16.2565","0.0004","90","","117.473","0.003","90","","5348.4","0.3","130","2","130","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","2,3-Dicyano-5,6-bis-4-[3,5-bis(benzyloxy)benzyloxy]phenyl pyrazine","","- C62 H50 Cl4 N4 O6 -","- C62 H50 Cl4 N4 O6 -","- C248 H200 Cl16 N16 O24 -","4","0.5","","Tillo, Adam; Mlynarczyk, Dariusz T.; Popenda, Lukasz; Wicher, Barbara; Kryjewski, Michal; Szczolko, Wojciech; Jurga, Stefan; Mielcarek, Jadwiga; Gdaniec, Maria; Goslinski, Tomasz; Tykarska, Ewa","Synthesis and singlet oxygen generation of pyrazinoporphyrazines containing dendrimeric aryl substituents","New J. Chem.","2017","41","9","3586","","10.1039/C6NJ03886G","","","1.54184","CuKα","","0.0888","0.0804","","","0.2337","0.2487","","","","","","1.053","","","","has coordinates","196253","2020-10-21","18:00:00",""
"7056157","8.8042","0.0005","9.8572","0.0006","13.1313","0.0008","106.022","0.005","103.017","0.005","102.921","0.005","1016.28","0.12","150","2","150","2","","","","","","","","5","P -1","-P 1","2","","","","- C15 H23 F6 Na O7 -","- C15 H23 F6.006 Na O7 -","- C30 H46 F12.012 Na2 O14 -","2","1","","Catalano, Maria R.; Pellegrino, Anna Lucia; Rossi, Patrizia; Paoli, Paola; Cortelletti, Paolo; Pedroni, Marco; Speghini, Adolfo; Malandrino, Graziella","Upconverting Er3+, Yb3+ activated β-NaYF4 thin films: a solution route using a novel sodium β-diketonate polyether adduct","New J. Chem.","2017","","","","","10.1039/C7NJ00236J","","","1.54184","CuKα","","0.0558","0.0379","","","0.0927","0.1041","","","","","","1.029","","","","has coordinates,has disorder","196557","2020-10-21","18:00:00",""
"7056158","8.449","0.003","13.113","0.004","9.937","0.003","90","","102.064","0.003","90","","1076.6","0.6","100","2","100","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C4 H10 Cl4 Mo N O -","- C4 H10 Cl4 Mo N O -","- C16 H40 Cl16 Mo4 N4 O4 -","4","1","","Bartalucci, Niccolò; Bortoluzzi, Marco; Marchetti, Fabio; Pampaloni, Guido; Schoch, Silvia; Zacchini, Stefano","Unusual activation pathways of amines in the reactions with molybdenum pentachloride","New J. Chem.","2017","","","","","10.1039/C6NJ03992H","","","0.71073","MoKα","","0.0343","0.0278","","","0.0648","0.0682","","","","","","1.041","","","","has coordinates","206958","2020-10-21","18:00:00",""
"7056159","11.8263","0.0017","8.2825","0.0012","10.2388","0.0015","90","","90","","90","","1002.9","0.3","100","2","100","2","","","","","","","","5","P n a 21","P 2c -2n","33","","","","- C4 H7 Cl5 Mo N -","- C4 H7 Cl5 Mo N -","- C16 H28 Cl20 Mo4 N4 -","4","1","","Bartalucci, Niccolò; Bortoluzzi, Marco; Marchetti, Fabio; Pampaloni, Guido; Schoch, Silvia; Zacchini, Stefano","Unusual activation pathways of amines in the reactions with molybdenum pentachloride","New J. Chem.","2017","","","","","10.1039/C6NJ03992H","","","0.71073","MoKα","","0.0248","0.0227","","","0.0392","0.0398","","","","","","1.083","","","","has coordinates","196571","2020-10-21","18:00:00",""
"7056160","13.8611","0.0007","13.6266","0.0007","14.124","0.0006","90","","90","","90","","2667.7","0.2","100","2","100","2","","","","","","","","6","P b c a","-P 2ac 2ab","61","","","","- C12 H32 Cl9.6 Mo2 N2 O0.4 -","- C12 H32 Cl9.6 Mo2 N2 O0.4 -","- C48 H128 Cl38.4 Mo8 N8 O1.6 -","4","0.5","","Bartalucci, Niccolò; Bortoluzzi, Marco; Marchetti, Fabio; Pampaloni, Guido; Schoch, Silvia; Zacchini, Stefano","Unusual activation pathways of amines in the reactions with molybdenum pentachloride","New J. Chem.","2017","","","","","10.1039/C6NJ03992H","","","0.71073","MoKα","","0.0813","0.0803","","","0.1909","0.1913","","","","","","1.212","","","","has coordinates,has disorder","196571","2020-10-21","18:00:00",""
"7056161","10.0833","0.0009","13.2029","0.001","16.6033","0.0012","90","","103.818","0.006","90","","2146.4","0.3","100","2","100","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C43 H42 Cl8 Mo N2 -","- C43 H42 Cl8 Mo N2 -","- C86 H84 Cl16 Mo2 N4 -","2","0.5","","Bartalucci, Niccolò; Bortoluzzi, Marco; Marchetti, Fabio; Pampaloni, Guido; Schoch, Silvia; Zacchini, Stefano","Unusual activation pathways of amines in the reactions with molybdenum pentachloride","New J. Chem.","2017","","","","","10.1039/C6NJ03992H","","","0.71073","MoKα","","0.1822","0.0627","","","0.1378","0.1941","","","","","","0.97","","","","has coordinates,has disorder","196571","2020-10-21","18:00:00",""
"7056162","6.6315","0.0017","7.648","0.002","11.839","0.003","106.915","0.002","96.903","0.003","102.798","0.003","549.1","0.2","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","","","- C12 H22 Cl8 Mo2 N2 -","- C12 H22 Cl8 Mo2 N2 -","- C12 H22 Cl8 Mo2 N2 -","1","0.5","","Bartalucci, Niccolò; Bortoluzzi, Marco; Marchetti, Fabio; Pampaloni, Guido; Schoch, Silvia; Zacchini, Stefano","Unusual activation pathways of amines in the reactions with molybdenum pentachloride","New J. Chem.","2017","","","","","10.1039/C6NJ03992H","","","0.71073","MoKα","","0.0376","0.0317","","","0.0728","0.076","","","","","","1.093","","","","has coordinates","196571","2020-10-21","18:00:00",""
"7056163","7.9913","0.0005","27.2271","0.0015","13.7004","0.0008","90","","90.321","0.004","90","","2980.9","0.3","100","2","100","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C14 H39 Cl8 Mo2 N6 -","- C14 H39 Cl8 Mo2 N6 -","- C56 H156 Cl32 Mo8 N24 -","4","1","","Bartalucci, Niccolò; Bortoluzzi, Marco; Marchetti, Fabio; Pampaloni, Guido; Schoch, Silvia; Zacchini, Stefano","Unusual activation pathways of amines in the reactions with molybdenum pentachloride","New J. Chem.","2017","","","","","10.1039/C6NJ03992H","","","0.71073","MoKα","","0.0534","0.0461","","","0.1042","0.1092","","","","","","1.063","","","","has coordinates","196571","2020-10-21","18:00:00",""
"7056164","12.633","0.003","9.977","0.002","12.085","0.002","90","","112.39","0.03","90","","1408.4","0.6","120","2","120","2","","","","","","","","3","C 1 2/c 1","-C 2yc","15","","","","- C17 H11 N7 -","- C17 H11 N7 -","- C68 H44 N28 -","4","0.5","","Cabrero-Antonino, Maria; Ballesteros-Garrido, Rafael; Chiassai, Leonardo; Escrivá, Emilio; Ramirez de Arellano, Carmen; Ballesteros, Rafael; Abarca, Belén","Synthesis of New Terpyridine-like ligands based on Triazolopyridines and Benzotriazoles","New J. Chem.","2017","","","","","10.1039/C7NJ00962C","","","0.71073","MoKα","","0.0648","0.0398","","","0.102","0.1116","","","","","","1.058","","","","has coordinates","196611","2020-10-21","18:00:00",""
"7056165","13.4031","0.0003","25.5461","0.0005","13.0244","0.0003","90","","91.208","0.002","90","","4458.52","0.17","120","2","120","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C40 H31 F12 N17 P2 Ru -","- C40 H31 F12 N17 P2 Ru -","- C160 H124 F48 N68 P8 Ru4 -","4","1","","Cabrero-Antonino, Maria; Ballesteros-Garrido, Rafael; Chiassai, Leonardo; Escrivá, Emilio; Ramirez de Arellano, Carmen; Ballesteros, Rafael; Abarca, Belén","Synthesis of New Terpyridine-like ligands based on Triazolopyridines and Benzotriazoles","New J. Chem.","2017","","","","","10.1039/C7NJ00962C","","","0.71073","MoKα","","0.0955","0.056","","","0.1296","0.1541","","","","","","1.074","","","","has coordinates","196611","2020-10-21","18:00:00",""
"7056166","11.5077","0.001","12.262","0.0007","15.7286","0.0011","90","","109.805","0.009","90","","2088.1","0.3","293","2","293","2","","","","","","","","4","P 1 21 1","P 2yb","4","","2,2,6,6,13-pentamethyl-3-methylene-2,2a,2a1,3,4,5,5a,6-octahydroindolo[3,2,1-de]pyrano[5,4,3,2-lmn]-phenanthridine","","- C26 H29 N O -","- C26 H29 N O -","- C104 H116 N4 O4 -","4","2","","Yedukondalu, Nalli; Thakur, Vandana; Mohmmed, Asif; Gupta, Vivek; Ali, Asif","POCl3-mediated Cyclization of (+)-S-Mahanimbine Led to the Divergent Synthesis of Natural Product Derivatives with Antiplasmodial Activity.","New J. Chem.","2017","","","","","10.1039/C7NJ00487G","","","0.71073","MoKα","","0.082","0.0463","","","0.0787","0.0911","","","","","","1.031","","","","has coordinates","196621","2020-10-21","18:00:00",""
"7056167","8.4284","0.0006","18.5039","0.0014","23.3119","0.0016","90","","93.851","0.005","90","","3627.5","0.5","293","2","293","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","MK-POCL3-R","5,7-dimethyl-2-(propan-2-ylidene)-1,2,3,4,5,13-hexahydro-1,5- methanooxocino[3,2-a]carbazole","","- C23 H25 N O -","- C23 H25 N O -","- C184 H200 N8 O8 -","8","2","","Yedukondalu, Nalli; Thakur, Vandana; Mohmmed, Asif; Gupta, Vivek; Ali, Asif","POCl3-mediated Cyclization of (+)-S-Mahanimbine Led to the Divergent Synthesis of Natural Product Derivatives with Antiplasmodial Activity.","New J. Chem.","2017","","","","","10.1039/C7NJ00487G","","","0.71073","MoKα","","0.176","0.0791","","","0.1726","0.2269","","","","","","0.989","","","","has coordinates","203412","2020-10-21","18:00:00",""
"7056168","13.1508","0.001","13.2882","0.0009","16.3883","0.0009","90","","104.519","0.007","90","","2772.4","0.3","293.6","0.4","293.6","0.4","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C22 H25 N4 O14 Sm Zn -","- C22 H25 N4 O14 Sm Zn -","- C88 H100 N16 O56 Sm4 Zn4 -","4","1","","Zheng, Shan shan; Dong, WK; Zhang, Yang; Chen, Le; Ding, Yujie","Four Salamo-type 3d-4f hetero-bimetallic [ZnIILnIII] complexes: Syntheses, Crystal Structures, Luminescent and Magnetic Properties","New J. Chem.","2017","","","","","10.1039/C6NJ04090J","","","0.7107","MoKα","","0.1443","0.0724","","","0.0931","0.1335","","","","","","0.967","","","","has coordinates,has disorder","196622","2020-10-21","18:00:00",""
"7056169","13.1508","0.0007","13.2769","0.0005","16.3725","0.0009","90","","104.442","0.006","90","","2768.3","0.2","298.84","0.1","298.84","0.1","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C22 H25 Eu N4 O14 Zn -","- C22 H25 Eu N4 O14 Zn -","- C88 H100 Eu4 N16 O56 Zn4 -","4","1","","Zheng, Shan shan; Dong, WK; Zhang, Yang; Chen, Le; Ding, Yujie","Four Salamo-type 3d-4f hetero-bimetallic [ZnIILnIII] complexes: Syntheses, Crystal Structures, Luminescent and Magnetic Properties","New J. Chem.","2017","","","","","10.1039/C6NJ04090J","","x-ray","0.71073","MoKα","","0.0931","0.049","","","0.0639","0.0842","","","","","","1.014","","","","has coordinates,has disorder","196622","2020-10-21","18:00:00",""
"7056170","13.095","0.0005","13.2699","0.0004","16.3621","0.0006","90","","104.27","0.004","90","","2755.5","0.17","298.84","0.1","298.84","0.1","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C22 H25 Dy N4 O14 Zn -","- C22 H25 Dy N4 O14 Zn -","- C88 H100 Dy4 N16 O56 Zn4 -","4","1","","Zheng, Shan shan; Dong, WK; Zhang, Yang; Chen, Le; Ding, Yujie","Four Salamo-type 3d-4f hetero-bimetallic [ZnIILnIII] complexes: Syntheses, Crystal Structures, Luminescent and Magnetic Properties","New J. Chem.","2017","","","","","10.1039/C6NJ04090J","","x-ray","0.71073","MoKα","","0.0489","0.0337","","","0.0563","0.0642","","","","","","1.042","","","","has coordinates,has disorder","196622","2020-10-21","18:00:00",""
"7056171","13.113","0.0006","13.2655","0.0005","16.3649","0.0007","90","","104.34","0.005","90","","2758","0.2","298.84","0.1","298.84","0.1","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C22 H25 N4 O14 Tb Zn -","- C22 H25 N4 O14 Tb Zn -","- C88 H100 N16 O56 Tb4 Zn4 -","4","1","","Zheng, Shan shan; Dong, WK; Zhang, Yang; Chen, Le; Ding, Yujie","Four Salamo-type 3d-4f hetero-bimetallic [ZnIILnIII] complexes: Syntheses, Crystal Structures, Luminescent and Magnetic Properties","New J. Chem.","2017","","","","","10.1039/C6NJ04090J","","x-ray","0.71073","MoKα","","0.0615","0.0386","","","0.061","0.0723","","","","","","1.046","","","","has coordinates,has disorder","196622","2020-10-21","18:00:00",""
"7056172","8.153","0.0005","11.1982","0.001","14.3416","0.0008","78.653","0.006","84.574","0.005","83.732","0.006","1272.51","0.16","150","2","150","2","","","","","","","","5","P -1","-P 1","2","","","","- C21 H27 Cl2 Ir N4 -","- C21 H27 Cl2 Ir N4 -","- C42 H54 Cl4 Ir2 N8 -","2","1","","Kerner, Christian; Neu, Jens P.; Gaffga, Maximilian; Lang, Johannes; Oelkers, Benjamin; Sun, Yu; Niedner-Schatterburg, Gereon; Thiel, Werner R.","Gas-phase reactivity of Cp* Group IX metal complexes bearing aromatic N,N’-chelating ligands","New J. Chem.","2017","","","","","10.1039/C7NJ01079F","","","1.54184","CuKα","","0.0574","0.056","","","0.1504","0.1516","","","","","","1.106","","","","has coordinates","196736","2020-10-21","18:00:00",""
"7056173","8.2836","0.0005","11.4551","0.0009","12.2705","0.0007","103.762","0.006","93.088","0.005","104.169","0.006","1088.71","0.13","150","2","150","2","","","","","","","","7","P -1","-P 1","2","","","","- C19 H23 Cl Co F6 N4 P -","- C19 H23 Cl Co F6 N4 P -","- C38 H46 Cl2 Co2 F12 N8 P2 -","2","1","","Kerner, Christian; Neu, Jens P.; Gaffga, Maximilian; Lang, Johannes; Oelkers, Benjamin; Sun, Yu; Niedner-Schatterburg, Gereon; Thiel, Werner R.","Gas-phase reactivity of Cp* Group IX metal complexes bearing aromatic N,N’-chelating ligands","New J. Chem.","2017","","","","","10.1039/C7NJ01079F","","","1.54184","CuKα","","0.0464","0.0405","","","0.0984","0.1018","","","","","","1.028","","","","has coordinates","196736","2020-10-21","18:00:00",""
"7056174","8.3924","0.0004","11.5244","0.0005","13.1783","0.0006","109.543","0.004","92.325","0.004","108.365","0.004","1124.68","0.1","150","2","150","2","","","","","","","","7","P -1","-P 1","2","","","","- C20 H25 Cl Co F6 N4 P -","- C20 H25 Cl Co F6 N4 P -","- C40 H50 Cl2 Co2 F12 N8 P2 -","2","1","","Kerner, Christian; Neu, Jens P.; Gaffga, Maximilian; Lang, Johannes; Oelkers, Benjamin; Sun, Yu; Niedner-Schatterburg, Gereon; Thiel, Werner R.","Gas-phase reactivity of Cp* Group IX metal complexes bearing aromatic N,N’-chelating ligands","New J. Chem.","2017","","","","","10.1039/C7NJ01079F","","","0.71073","MoKα","","0.0405","0.0339","","","0.0764","0.0794","","","","","","1.05","","","","has coordinates","196736","2020-10-21","18:00:00",""
"7056175","12.9323","0.0003","8.1971","0.0002","10.4445","0.0003","90","","90","","90","","1107.19","0.05","150","2","150","2","","","","","","","","7","P m n 21","P 2ac -2","31","","","","- C20 H23 Cl F6 N2 P Rh -","- C20 H23 Cl F6 N2 P Rh -","- C40 H46 Cl2 F12 N4 P2 Rh2 -","2","0.5","","Kerner, Christian; Neu, Jens P.; Gaffga, Maximilian; Lang, Johannes; Oelkers, Benjamin; Sun, Yu; Niedner-Schatterburg, Gereon; Thiel, Werner R.","Gas-phase reactivity of Cp* Group IX metal complexes bearing aromatic N,N’-chelating ligands","New J. Chem.","2017","","","","","10.1039/C7NJ01079F","","","1.54184","CuKα","","0.0257","0.0254","","","0.0637","0.0646","","","","","","1.075","","","","has coordinates","196736","2020-10-21","18:00:00",""
"7056176","8.2257","0.0003","11.4475","0.0004","12.6623","0.0004","102","0.003","93.609","0.003","105.079","0.003","1117.44","0.07","150","2","150","2","","","","","","","","7","P -1","-P 1","2","","","","- C19 H23 Cl F6 N4 P Rh -","- C19 H23 Cl F6 N4 P Rh -","- C38 H46 Cl2 F12 N8 P2 Rh2 -","2","1","","Kerner, Christian; Neu, Jens P.; Gaffga, Maximilian; Lang, Johannes; Oelkers, Benjamin; Sun, Yu; Niedner-Schatterburg, Gereon; Thiel, Werner R.","Gas-phase reactivity of Cp* Group IX metal complexes bearing aromatic N,N’-chelating ligands","New J. Chem.","2017","","","","","10.1039/C7NJ01079F","","","0.71073","MoKα","","0.0363","0.0318","","","0.076","0.0784","","","","","","1.041","","","","has coordinates","196736","2020-10-21","18:00:00",""
"7056177","8.8142","0.0001","15.6347","0.0002","15.1228","0.0002","90","","90.195","0.001","90","","2084.02","0.05","150","2","150","2","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C19 H23 B Cl F4 Ir N4 -","- C19 H23 B Cl F4 Ir N4 -","- C76 H92 B4 Cl4 F16 Ir4 N16 -","4","1","","Kerner, Christian; Neu, Jens P.; Gaffga, Maximilian; Lang, Johannes; Oelkers, Benjamin; Sun, Yu; Niedner-Schatterburg, Gereon; Thiel, Werner R.","Gas-phase reactivity of Cp* Group IX metal complexes bearing aromatic N,N’-chelating ligands","New J. Chem.","2017","","","","","10.1039/C7NJ01079F","","","0.71073","MoKα","","0.0267","0.0229","","","0.0453","0.0466","","","","","","1.124","","","","has coordinates","196736","2020-10-21","18:00:00",""
"7056178","8.5377","0.0002","21.2436","0.0004","11.3841","0.0002","90","","94.301","0.002","90","","2058.94","0.07","150","2","150","2","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C19 H22 B Cl F4 Ir N3 -","- C19 H22 B Cl F4 Ir N3 -","- C76 H88 B4 Cl4 F16 Ir4 N12 -","4","1","","Kerner, Christian; Neu, Jens P.; Gaffga, Maximilian; Lang, Johannes; Oelkers, Benjamin; Sun, Yu; Niedner-Schatterburg, Gereon; Thiel, Werner R.","Gas-phase reactivity of Cp* Group IX metal complexes bearing aromatic N,N’-chelating ligands","New J. Chem.","2017","","","","","10.1039/C7NJ01079F","","","0.71073","MoKα","","0.0422","0.0331","","","0.0664","0.0692","","","","","","1.139","","","","has coordinates","196736","2020-10-21","18:00:00",""
"7056179","13.252","0.003","16.668","0.002","10.2556","0.0018","90","","103.378","0.014","90","","2203.8","0.7","173","2","173","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C31 H23 P -","- C31 H23 P -","- C124 H92 P4 -","4","1","","Hariharan, P. S.; Mariyatra, M. Baby; Mothi, E. M.; Neels, Antonia; Rosair, Georgina; Anthony, Savarimuthu Philip","Polymorphism and benzene solvent controlled stimuli responsive reversible fluorescence switching in triphenylphosphoniumfluorenylide crystals","New J. Chem.","2017","","","","","10.1039/C7NJ01136A","","","0.71073","MoKα","","0.0533","0.0454","","","0.1205","0.1284","","","","","","1.081","","","","has coordinates","196737","2020-10-21","18:00:00",""
"7056180","27.996","0.002","11.8779","0.0009","17.3544","0.0013","90","","113.26","0.003","90","","5301.9","0.7","100","2","100","2","","","","","","","","3","C 1 2/c 1","-C 2yc","15","","","","- C37 H29 P -","- C37 H29 P -","- C296 H232 P8 -","8","1","","Hariharan, P. S.; Mariyatra, M. Baby; Mothi, E. M.; Neels, Antonia; Rosair, Georgina; Anthony, Savarimuthu Philip","Polymorphism and benzene solvent controlled stimuli responsive reversible fluorescence switching in triphenylphosphoniumfluorenylide crystals","New J. Chem.","2017","","","","","10.1039/C7NJ01136A","","","0.71073","MoKα","","0.0598","0.038","","","0.0985","0.1189","","","","","","1.106","","","","has coordinates","196737","2020-10-21","18:00:00",""
"7056181","9.474","0.004","10.294","0.004","13.926","0.005","98.394","0.003","105.105","0.003","115.34","0.004","1132.3","0.8","113","2","113","2","","","","","","","","5","P -1","-P 1","2","","","","- C11 H40 N3 O12 P3 -","- C11 H40 N3 O12 P3 -","- C22 H80 N6 O24 P6 -","2","1","","Sun, Yu-Ling; Zheng, Bei-Bei; Zhang, Wen","Role of crystallization water molecules on hydrogen-bonded structures and dielectric phase transitions in amino trimethylene phosphonic acid-based crystals","New J. Chem.","2017","","","","","10.1039/C7NJ00612H","","","0.71073","MoKα","","0.0438","0.0356","","","0.1008","0.1148","","","","","","1.089","","","","has coordinates","196738","2020-10-21","18:00:00",""
"7056182","14.728","0.0017","14.728","0.0017","23.716","0.005","90","","90","","120","","4455.1","1.2","293","2","293","2","","","","","","","","5","R -3 :H","-R 3","148","","","","- C30 H92 N8 O19 P6 -","- C30 H92.0004 N8 O19 P6 -","- C90 H276.001 N24 O57 P18 -","3","0.166667","","Sun, Yu-Ling; Zheng, Bei-Bei; Zhang, Wen","Role of crystallization water molecules on hydrogen-bonded structures and dielectric phase transitions in amino trimethylene phosphonic acid-based crystals","New J. Chem.","2017","","","","","10.1039/C7NJ00612H","","","0.71073","MoKα","","0.1047","0.0775","","","0.2244","0.2479","","","","","","1.057","","","","has coordinates","196738","2020-10-21","18:00:00",""
"7056183","9.528","0.003","10.348","0.004","14.003","0.005","98.391","0.004","105.168","0.002","115.423","0.002","1149.5","0.7","273","2","273","2","","","","","","","","5","P -1","-P 1","2","","","","- C11 H40 N3 O12 P3 -","- C11 H40 N3 O12 P3 -","- C22 H80 N6 O24 P6 -","2","1","","Sun, Yu-Ling; Zheng, Bei-Bei; Zhang, Wen","Role of crystallization water molecules on hydrogen-bonded structures and dielectric phase transitions in amino trimethylene phosphonic acid-based crystals","New J. Chem.","2017","","","","","10.1039/C7NJ00612H","","","0.71073","MoKα","","0.052","0.0414","","","0.125","0.1464","","","","","","1.094","","","","has coordinates","196738","2020-10-21","18:00:00",""
"7056184","11.42","0.007","11.647","0.007","11.79","0.007","104.083","0.008","99.682","0.005","103.12","0.008","1439.3","1.5","103","2","103","2","","","","","","","","5","P -1","-P 1","2","","","","- C30 H94 N8 O20 P6 -","- C30 H96 N8 O21 P6 -","- C30 H96 N8 O21 P6 -","1","0.5","","Sun, Yu-Ling; Zheng, Bei-Bei; Zhang, Wen","Role of crystallization water molecules on hydrogen-bonded structures and dielectric phase transitions in amino trimethylene phosphonic acid-based crystals","New J. Chem.","2017","","","","","10.1039/C7NJ00612H","","","0.71073","MoKα","","0.045","0.0388","","","0.1062","0.1117","","","","","","1.068","","","","has coordinates","196738","2020-10-21","18:00:00",""
"7056185","11.474","0.009","11.641","0.009","11.834","0.009","103.678","0.009","99.604","0.005","102.404","0.011","1460","2","273","2","273","2","","","","","","","","5","P -1","-P 1","2","","","","- C30 H96 N8 O21 P6 -","- C30 H92 N8 O21 P6 -","- C30 H92 N8 O21 P6 -","1","0.5","","Sun, Yu-Ling; Zheng, Bei-Bei; Zhang, Wen","Role of crystallization water molecules on hydrogen-bonded structures and dielectric phase transitions in amino trimethylene phosphonic acid-based crystals","New J. Chem.","2017","","","","","10.1039/C7NJ00612H","","","0.71073","MoKα","","0.0539","0.0441","","","0.1171","0.1241","","","","","","1.026","","","","has coordinates,has disorder","196738","2020-10-21","18:00:00",""
"7056186","11.1904","0.0016","13.7744","0.0017","14.105","0.002","90","","102.815","0.006","90","","2120","0.5","293","","293","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C23 H28 N O4 -","- C23 H28 N O4 -","- C92 H112 N4 O16 -","4","1","","Pal, Santanu Kumar; Kaur, Supreet; Punjani, Vidhika; Mohiuddin, Golam","Orthogonal smectic and nematic ordering in three-ring polar bent-core molecules with anti-parallel arrangement","New J. Chem.","2017","","","","","10.1039/C7NJ00272F","","","0.71075","MoKα","","0.122","0.0756","","","0.1928","0.2453","","","","","","1.071","","","","has coordinates","196739","2020-10-21","18:00:00",""
"7056187","8.431","0.007","9.94","0.003","13.486","0.015","108.84","0.07","98.46","0.18","96.64","0.16","1041.8","1.8","100","","100","","","","","","","","","5","P -1","-P 1","2","","","","- C25 H24 F N O4 -","- C25 H24 F N O4 -","- C50 H48 F2 N2 O8 -","2","1","","Pal, Santanu Kumar; Kaur, Supreet; Punjani, Vidhika; Mohiuddin, Golam","Orthogonal smectic and nematic ordering in three-ring polar bent-core molecules with anti-parallel arrangement","New J. Chem.","2017","","","","","10.1039/C7NJ00272F","","","0.71075","MoKα","","0.0706","0.0562","","","0.1379","0.1794","","","","","","0.974","","","","has coordinates","196739","2020-10-21","18:00:00",""
"7056188","9.7378","0.0005","33.4196","0.0017","13.9653","0.0006","90","","105.609","0.001","90","","4377.2","0.4","100","2","100","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","[diaquatetraquis((2,6-dichlorophenyl)amino)phenyl)acetato-k2O,O')bis((mu-2,6-dichlorophenyl)amino)phenyl)acetato-k2O,O':kO)dimethanoldidysprosium(III)]","","- C86 H72 Cl12 Dy2 N6 O16 -","- C86 H72 Cl12 Dy2 N6 O16 -","- C172 H144 Cl24 Dy4 N12 O32 -","2","0.5","","Echenique-Errandonea, Estitxu; Oyarzabal, Itziar; Cepeda, Javier; San sebastian, Eider; Rodriguez-Dieguez, Antonio; Seco, José M","Photoluminescent and magnetic analysis of a family of lanthanide(III) complexes based on diclofenac","New J. Chem.","2017","","","","","10.1039/C7NJ00794A","","","0.71073","MoKα","","0.1351","0.0655","","","0.0656","0.0771","","","","","","1.064","","","","has coordinates","196740","2020-10-21","18:00:00",""
"7056189","9.87","0.0004","33.5491","0.0016","13.9418","0.0006","90","","105.907","0.0012","90","","4439.8","0.3","100","2","100","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","[diaquatetraquis((2,6-dichlorophenyl)amino)phenyl)acetato-k2O,O')bis((mu-2,6-dichlorophenyl)amino)phenyl)acetato-k2O,O':kO)dimethanoldipraseodymium(III)]","","- C86 H72 Cl12 N6 O16 Pr2 -","- C86 H72 Cl12 N6 O16 Pr2 -","- C172 H144 Cl24 N12 O32 Pr4 -","2","0.5","","Echenique-Errandonea, Estitxu; Oyarzabal, Itziar; Cepeda, Javier; San sebastian, Eider; Rodriguez-Dieguez, Antonio; Seco, José M","Photoluminescent and magnetic analysis of a family of lanthanide(III) complexes based on diclofenac","New J. Chem.","2017","","","","","10.1039/C7NJ00794A","","","0.71073","MoKα","","0.0282","0.023","","","0.0501","0.0519","","","","","","1.061","","","","has coordinates","196740","2020-10-21","18:00:00",""
"7056190","43.418","0.011","7.5014","0.0018","14.333","0.004","90","","105.777","0.008","90","","4492","2","100","","100","","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C27 H15 N3 O7 S -","- C27 H15 N3 O7 S -","- C216 H120 N24 O56 S8 -","8","1","","_, Shweta; Kumar, Ajit; -, Neeraj; Ashthana, Sharad Kumar; Upadhyay, Kaushal Kumar","A smart ratiometric red fluorescent chemodosimeter for fluoride based on anthraquinone nosylate","New J. Chem.","2017","","","","","10.1039/C7NJ01575E","","","0.71073","MoKα","","0.0999","0.0575","","","0.1378","0.1685","","","","","","1.041","","","","has coordinates","206958","2020-10-21","18:00:00",""
"7056191","13.4552","0.0012","13.5618","0.0012","25.287","0.002","96.117","0.003","103.136","0.003","91.355","0.003","4462.5","0.7","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C74 H122 N4 O10 Ti2 -","- C74 H122 N4 O10 Ti2 -","- C148 H244 N8 O20 Ti4 -","2","1","","Wang, Baolong; Zhao, Huanqin; Wang, Liying; Sun, Junmin; Zhang, Yongfeng; Cao, Zhenzhu","Immortal Ring-Opening Polymerization of Lactides with Super High Monomer to Catalyst Ratios Initiated by Zirconium and Titanium Complexes Containing Multidentate Amino-bis(phenolate) Ligands","New J. Chem.","2017","","","","","10.1039/C7NJ00483D","","","0.71073","MoKα","","0.0809","0.0588","","","0.147","0.158","","","","","","1.02","","","","has coordinates,has disorder","196742","2020-10-21","18:00:00",""
"7056192","11.867","0.0006","16.2871","0.0009","24.4789","0.0014","105.498","0.002","90.376","0.002","102.18","0.002","4446.6","0.4","282","2","282","2","","","","","","","","5","P -1","-P 1","2","","","","- C81 H124 N4 O6 Zr -","- C81 H124 N4 O6 Zr -","- C162 H248 N8 O12 Zr2 -","2","1","","Wang, Baolong; Zhao, Huanqin; Wang, Liying; Sun, Junmin; Zhang, Yongfeng; Cao, Zhenzhu","Immortal Ring-Opening Polymerization of Lactides with Super High Monomer to Catalyst Ratios Initiated by Zirconium and Titanium Complexes Containing Multidentate Amino-bis(phenolate) Ligands","New J. Chem.","2017","","","","","10.1039/C7NJ00483D","","","0.71073","MoKα","","0.0573","0.0495","","","0.1367","0.1426","","","","","","1.005","","","","has coordinates,has disorder","196742","2020-10-21","18:00:00",""
"7056193","18.6301","0.0016","5.101","0.0005","16.2579","0.0014","90","","119.173","0.003","90","","1349","0.2","298","2","298","2","","","","","","","","7","C 1 2 1","C 2y","5","","","","- C24 H30 F2 N0 O4 S2 Sn -","- C24 H30 F2 O4 S2 Sn -","- C48 H60 F4 O8 S4 Sn2 -","2","0.5","","Qiu, Ya-Ru; Zhang, Ru-Fen; Zhang, Shaoliang; Cheng, Shuang; Li, Qianli; Ma, Chunlin","Novel organotin(IV) Complexes derived from 4-fluorophenyl- selenoacetic acid: synthesis, characterization and in vitro cytostatic activity evaluation","New J. Chem.","2017","","","","","10.1039/C7NJ00500H","","","0.71073","MoKα","","0.0667","0.0641","","","0.1684","0.1722","","","","","","1.038","","","","has coordinates,has disorder","196743","2020-10-21","18:00:00",""
"7056194","29.26","0.003","5.217","0.0005","20.7101","0.0018","90","","121.175","0.002","90","","2704.8","0.5","298","2","298","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C24 H30 F2 O4 Se2 Sn -","- C24 H30 F2 O4 Se2 Sn -","- C96 H120 F8 O16 Se8 Sn4 -","4","0.5","","Qiu, Ya-Ru; Zhang, Ru-Fen; Zhang, Shaoliang; Cheng, Shuang; Li, Qianli; Ma, Chunlin","Novel organotin(IV) Complexes derived from 4-fluorophenyl- selenoacetic acid: synthesis, characterization and in vitro cytostatic activity evaluation","New J. Chem.","2017","","","","","10.1039/C7NJ00500H","","","0.71073","MoKα","","0.1128","0.0697","","","0.1632","0.1795","","","","","","1.078","","","","has coordinates,has disorder","196743","2020-10-21","18:00:00",""
"7056195","11.6817","0.0009","11.9698","0.001","17.8333","0.0015","90","","94.401","0.001","90","","2486.2","0.4","298","2","298","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C40 H48 F4 O10 S4 Sn4 -","- C40 H48 F4 O10 S4 Sn4 -","- C80 H96 F8 O20 S8 Sn8 -","2","0.5","","Qiu, Ya-Ru; Zhang, Ru-Fen; Zhang, Shaoliang; Cheng, Shuang; Li, Qianli; Ma, Chunlin","Novel organotin(IV) Complexes derived from 4-fluorophenyl- selenoacetic acid: synthesis, characterization and in vitro cytostatic activity evaluation","New J. Chem.","2017","","","","","10.1039/C7NJ00500H","","","0.71073","MoKα","","0.0874","0.0437","","","0.0779","0.093","","","","","","0.962","","","","has coordinates","196743","2020-10-21","18:00:00",""
"7056196","9.6149","0.0008","12.9348","0.0011","22.7853","0.0019","90","","90","","90","","2833.7","0.4","298","2","298","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C11 H15 F O2 Se Sn -","- C11 H15 F O2 Se Sn -","- C88 H120 F8 O16 Se8 Sn8 -","8","2","","Qiu, Ya-Ru; Zhang, Ru-Fen; Zhang, Shaoliang; Cheng, Shuang; Li, Qianli; Ma, Chunlin","Novel organotin(IV) Complexes derived from 4-fluorophenyl- selenoacetic acid: synthesis, characterization and in vitro cytostatic activity evaluation","New J. Chem.","2017","","","","","10.1039/C7NJ00500H","","","0.71073","MoKα","","0.1378","0.0751","","","0.1801","0.2055","","","","","","0.965","","","","has coordinates","196743","2020-10-21","18:00:00",""
"7056197","17.0682","0.0014","15.0174","0.0013","20.0535","0.0017","90","","93.693","0.001","90","","5129.4","0.8","298","2","298","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C40 H48 F4 O10 Se4 Sn4 -","- C40 H48 F4 O10 Se4 Sn4 -","- C160 H192 F16 O40 Se16 Sn16 -","4","0.5","","Qiu, Ya-Ru; Zhang, Ru-Fen; Zhang, Shaoliang; Cheng, Shuang; Li, Qianli; Ma, Chunlin","Novel organotin(IV) Complexes derived from 4-fluorophenyl- selenoacetic acid: synthesis, characterization and in vitro cytostatic activity evaluation","New J. Chem.","2017","","","","","10.1039/C7NJ00500H","","","0.71073","MoKα","","0.0813","0.048","","","0.1088","0.1259","","","","","","1.05","","","","has coordinates,has disorder","196743","2020-10-21","18:00:00",""
"7056198","10.5943","0.0009","14.476","0.0013","16.9105","0.0014","87.293","0.001","90.023","0.002","68.535","0.011","2410.4","0.4","298","2","298","2","","","","","","","","6","P -1","-P 1","2","","","","- C40 H66 F2 O4 S2 Sn2 -","- C40 H66 F2 O4 S2 Sn2 -","- C80 H132 F4 O8 S4 Sn4 -","2","1","","Qiu, Ya-Ru; Zhang, Ru-Fen; Zhang, Shaoliang; Cheng, Shuang; Li, Qianli; Ma, Chunlin","Novel organotin(IV) Complexes derived from 4-fluorophenyl- selenoacetic acid: synthesis, characterization and in vitro cytostatic activity evaluation","New J. Chem.","2017","","","","","10.1039/C7NJ00500H","","","0.71073","MoKα","","0.2374","0.1224","","","0.2919","0.318","","","","","","1.237","","","","has coordinates","196743","2020-10-21","18:00:00",""
"7056199","11.0008","0.0011","10.2461","0.0009","13.0833","0.0012","90","","107.192","0.002","90","","1408.8","0.2","298","2","298","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C11 H15 F O2 S Sn -","- C11 H15 F O2 S Sn -","- C44 H60 F4 O8 S4 Sn4 -","4","1","","Qiu, Ya-Ru; Zhang, Ru-Fen; Zhang, Shaoliang; Cheng, Shuang; Li, Qianli; Ma, Chunlin","Novel organotin(IV) Complexes derived from 4-fluorophenyl- selenoacetic acid: synthesis, characterization and in vitro cytostatic activity evaluation","New J. Chem.","2017","","","","","10.1039/C7NJ00500H","","","0.71073","MoKα","","0.0681","0.0388","","","0.0821","0.0975","","","","","","1.073","","","","has coordinates,has disorder","196743","2020-10-21","18:00:00",""
"7056200","10.3868","0.0008","13.7639","0.0011","18.295","0.0016","111.926","0.003","97.549","0.002","90.506","0.001","2400.5","0.3","298","2","298","2","","","","","","","","6","P -1","-P 1","2","","","","- C40 H66 F2 O4 Se2 Sn2 -","- C40 H66 F2 O4 Se2 Sn2 -","- C80 H132 F4 O8 Se4 Sn4 -","2","1","","Qiu, Ya-Ru; Zhang, Ru-Fen; Zhang, Shaoliang; Cheng, Shuang; Li, Qianli; Ma, Chunlin","Novel organotin(IV) Complexes derived from 4-fluorophenyl- selenoacetic acid: synthesis, characterization and in vitro cytostatic activity evaluation","New J. Chem.","2017","","","","","10.1039/C7NJ00500H","","","0.71073","MoKα","","0.1386","0.0666","","","0.1317","0.145","","","","","","1.11","","","","has coordinates","196743","2020-10-21","18:00:00",""
"7056201","9.5986","0.0005","9.7691","0.0005","10.0811","0.0005","102.586","0.003","97.413","0.002","116.651","0.002","796.22","0.07","296","2","296","2","","","","","","","","5","P -1","-P 1","2","","","","- C16 H17 N2 O4 P -","- C16 H17 N2 O4 P -","- C32 H34 N4 O8 P2 -","2","1","","Sudhapriya, Narayanasamy; Balachandran, Chandrasekar; Awale, Suresh; Perumal, Paramasivan Thirumalai","Sn(II)-mediated facile approach for the synthesis of 2-aryl-2H-indazole-3-phosphonates and their anticancer activity","New J. Chem.","2017","","","","","10.1039/C7NJ00843K","","","0.71073","MoKα","","0.0585","0.0378","","","0.0903","0.1066","","","","","","1.045","","","","has coordinates","196744","2020-10-21","18:00:00",""
"7056202","10.396","0.002","11.229","0.002","5.8102","0.0013","90","","90","","90","","678.3","0.2","173","2","173","2","","","","","","","","4","P n n 2","P 2 -2n","34","","","","- C5 H6 N8 O13 -","- C5 H6 N8 O13 -","- C10 H12 N16 O26 -","2","0.5","","Yu, Qiong; Cheng, Guangbin; Ju, Xuehai; Lu, Chunxu; Yang, Hongwei","An interesting ring cleavage of 1,2,4-oxadiazole ring","New J. Chem.","2017","","","","","10.1039/C7NJ01119A","","","0.71073","MoKα","","0.0729","0.0449","","","0.0834","0.096","","","","","","1.01","","","","has coordinates","196785","2020-10-21","18:00:00",""
"7056203","8.8179","0.0015","9.2863","0.0016","11.802","0.002","90","","101.562","0.004","90","","946.8","0.3","173","2","173","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C4 H5 N7 O7 -","- C4 H5 N7 O7 -","- C16 H20 N28 O28 -","4","1","","Yu, Qiong; Cheng, Guangbin; Ju, Xuehai; Lu, Chunxu; Yang, Hongwei","An interesting ring cleavage of 1,2,4-oxadiazole ring","New J. Chem.","2017","","","","","10.1039/C7NJ01119A","","","0.71073","MoKα","","0.119","0.0498","","","0.0728","0.0878","","","","","","1.02","","","","has coordinates","196785","2020-10-21","18:00:00",""
"7056204","7.1401","0.0011","7.804","0.0013","10.6428","0.0019","90","","109.113","0.003","90","","560.34","0.16","173","2","173","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C4 H5 N7 O10 -","- C4 H5 N7 O10 -","- C8 H10 N14 O20 -","2","1","","Yu, Qiong; Cheng, Guangbin; Ju, Xuehai; Lu, Chunxu; Yang, Hongwei","An interesting ring cleavage of 1,2,4-oxadiazole ring","New J. Chem.","2017","","","","","10.1039/C7NJ01119A","","","0.71073","MoKα","","0.0694","0.0444","","","0.0763","0.087","","","","","","1.022","","","","has coordinates","196785","2020-10-21","18:00:00",""
"7056205","12.7372","0.001","13.5883","0.0012","26.157","0.003","82.596","0.003","76.789","0.003","82.552","0.003","4347","0.7","150","","150","","","","","","","","synthesis as described","5","P 1","P 1","1","","","","- C97.5 H77.5 Cl4.5 N10 O8 -","- C97.5 H77.5 Cl4.5 N10 O8 -","- C195 H155 Cl9 N20 O16 -","2","2","","Gallo, Emma; Carminati, Daniela; Intrieri, Daniela; Le Gac, Stéphane; Roisnel, Thierry; Boitrel, Bernard; Toma, Lucio; Legnani, Laura","Synthesis, Characterisation and Catalytic Use of Iron Porphyrin Amino Ester Conjugates","New J. Chem.","2017","","","","","10.1039/C7NJ01189J","","x-ray","0.71073","MoKα","","0.0993","0.0811","","","0.2286","0.249","","","","","","1.101","","","","has coordinates","203412","2020-10-21","18:00:00",""
"7056206","8.5886","0.0002","9.2505","0.0003","9.5924","0.0003","75.382","0.003","71.148","0.003","87.868","0.003","697.06","0.04","173","2","173","2","","","","","","","","6","P -1","-P 1","2","","","","- C20 H26 Cl4 F2 N8 P4 -","- C20 H26 Cl4 F2 N8 P4 -","- C20 H26 Cl4 F2 N8 P4 -","1","0.5","","Elmas, Gamze; Okumuş, Aytuğ; Sevinç, Pelin; Kılıç, Zeynel; Açık, Leyla; Atalan, Mustafa; Turk, Mustafa; Deniz, Gökberk; Hökelek, Tuncer","Phosphorus-nitrogen compounds. Part 37. Syntheses and structural characterizations, biological activities of mono and bis(4-fluorobenzyl)spirocyclotetraphosphazenes","New J. Chem.","2017","","","","","10.1039/C7NJ00478H","","","0.71073","MoKα","","0.0471","0.0425","","","0.1132","0.1176","","","","","","1.055","","","","has coordinates","196820","2020-10-21","18:00:00",""
"7056207","37.3694","0.0012","10.3766","0.0003","15.8615","0.0005","90","","90","","90","","6150.6","0.3","173","2","173","2","","","","","","","","6","P b c n","-P 2n 2ab","60","","","","- C22 H30 Cl4 F2 N8 P4 -","- C22 H30 Cl4 F2 N8 P4 -","- C176 H240 Cl32 F16 N64 P32 -","8","1","","Elmas, Gamze; Okumuş, Aytuğ; Sevinç, Pelin; Kılıç, Zeynel; Açık, Leyla; Atalan, Mustafa; Turk, Mustafa; Deniz, Gökberk; Hökelek, Tuncer","Phosphorus-nitrogen compounds. Part 37. Syntheses and structural characterizations, biological activities of mono and bis(4-fluorobenzyl)spirocyclotetraphosphazenes","New J. Chem.","2017","","","","","10.1039/C7NJ00478H","","","0.71073","MoKα","","0.0835","0.0482","","","0.0872","0.0984","","","","","","1.038","","","","has coordinates","196820","2020-10-21","18:00:00",""
"7056208","8.8404","0.0003","19.0391","0.0005","9.1699","0.0003","90","","101.828","0.002","90","","1510.64","0.08","100","2","100","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C22 H30 Cl4 F2 N8 P4 -","- C22 H30 Cl4 F2 N8 P4 -","- C44 H60 Cl8 F4 N16 P8 -","2","0.5","","Elmas, Gamze; Okumuş, Aytuğ; Sevinç, Pelin; Kılıç, Zeynel; Açık, Leyla; Atalan, Mustafa; Turk, Mustafa; Deniz, Gökberk; Hökelek, Tuncer","Phosphorus-nitrogen compounds. Part 37. Syntheses and structural characterizations, biological activities of mono and bis(4-fluorobenzyl)spirocyclotetraphosphazenes","New J. Chem.","2017","","","","","10.1039/C7NJ00478H","","","0.71073","MoKα","","0.0558","0.0371","","","0.0987","0.1157","","","","","","1.081","","","","has coordinates","196820","2020-10-21","18:00:00",""
"7056209","14.1757","0.0006","9.6136","0.0003","17.0845","0.0006","90","","97.777","0.002","90","","2306.85","0.15","160","2","160","2","","","","","","","","5","P 1 2/n 1","-P 2yac","13","","","","- C16 H19 I4 N2 O4 -","- C16 H19 I4 N2 O4 -","- C64 H76 I16 N8 O16 -","4","1","","Hadjikakou, Sotiris K.; Banti, C. N.; Kourkoumelis, Nikolaos; Raptopoulou, Catherine; Psycharis, Vassilis","N-(4-hydroxyphenyl)acetamide against di-iodine towards polyiodide dianion","New J. Chem.","2017","","","","","10.1039/C7NJ01117B","","","0.71073","MoKα","","0.0264","0.0234","","","0.0543","0.0557","","","","","","1.05","","","","has coordinates","196895","2020-10-21","18:00:00",""
"7056210","10.1275","0.0003","15.4288","0.0004","19.3778","0.0006","90","","103.679","0.002","90","","2942","0.15","110","","110","","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C35 H35 Fe N4 O3 -","- C35 H35 Fe N4 O3 -","- C140 H140 Fe4 N16 O12 -","4","1","","Pogány, Lukáš; Moncol, Jan; Pavlik, Jan; Salitros, Ivan","Series of High Spin Mononuclear Iron(III) Complexes with Schiff Base ligands derived from 2-hydroxybenzophenones","New J. Chem.","2017","","","","","10.1039/C7NJ00617A","","","1.54186","CuKα","","0.0395","0.0258","","","0.047","0.0481","","","","","","0.82","","","","has coordinates","196896","2020-10-21","18:00:00",""
"7056211","10.2617","0.0003","15.2514","0.0003","19.5057","0.0005","90","","105.111","0.002","90","","2947.19","0.13","110","","110","","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C34 H35 Fe N6 O2 -","- C34 H35 Fe N6 O2 -","- C136 H140 Fe4 N24 O8 -","4","1","","Pogány, Lukáš; Moncol, Jan; Pavlik, Jan; Salitros, Ivan","Series of High Spin Mononuclear Iron(III) Complexes with Schiff Base ligands derived from 2-hydroxybenzophenones","New J. Chem.","2017","","","","","10.1039/C7NJ00617A","","","1.54186","CuKα","","0.0338","0.0268","","","0.0651","0.0671","","","","","","1.007","","","","has coordinates","196896","2020-10-21","18:00:00",""
"7056212","10.3034","0.0003","15.3208","0.0004","18.1489","0.0006","90","","101.693","0.003","90","","2805.46","0.15","100","","100","","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C32 H31 Cl Fe N3 O2 -","- C32 H31 Cl Fe N3 O2 -","- C128 H124 Cl4 Fe4 N12 O8 -","4","1","","Pogány, Lukáš; Moncol, Jan; Pavlik, Jan; Salitros, Ivan","Series of High Spin Mononuclear Iron(III) Complexes with Schiff Base ligands derived from 2-hydroxybenzophenones","New J. Chem.","2017","","","","","10.1039/C7NJ00617A","","","1.54186","CuKα","","0.0458","0.0404","","","0.1097","0.1126","","","","","","1.054","","","","has coordinates","196896","2020-10-21","18:00:00",""
"7056213","18.7577","0.0005","18.8838","0.0006","16.1938","0.0004","90","","90","","90","","5736.1","0.3","100","","100","","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C32 H31 Fe N6 O2 -","- C32 H31 Fe N6 O2 -","- C256 H248 Fe8 N48 O16 -","8","1","","Pogány, Lukáš; Moncol, Jan; Pavlik, Jan; Salitros, Ivan","Series of High Spin Mononuclear Iron(III) Complexes with Schiff Base ligands derived from 2-hydroxybenzophenones","New J. Chem.","2017","","","","","10.1039/C7NJ00617A","","","1.54186","CuKα","","0.0468","0.0307","","","0.0686","0.0717","","","","","","0.878","","","","has coordinates","196896","2020-10-21","18:00:00",""
"7056214","9.8877","0.0002","12.8918","0.0002","13.8494","0.0002","102.167","0.001","97.837","0.001","109.243","0.001","1588.28","0.05","110","","110","","","","","","","","","6","P -1","-P 1","2","","","","- C32 H29 Br2 Fe N6 O2 -","- C32 H29 Br2 Fe N6 O2 -","- C64 H58 Br4 Fe2 N12 O4 -","2","1","","Pogány, Lukáš; Moncol, Jan; Pavlik, Jan; Salitros, Ivan","Series of High Spin Mononuclear Iron(III) Complexes with Schiff Base ligands derived from 2-hydroxybenzophenones","New J. Chem.","2017","","","","","10.1039/C7NJ00617A","","","1.54186","CuKα","","0.0352","0.0329","","","0.0898","0.0908","","","","","","1.123","","","","has coordinates,has disorder","196896","2020-10-21","18:00:00",""
"7056215","9.6274","0.0003","15.2106","0.0003","19.5026","0.0007","90","","97.639","0.003","90","","2830.59","0.15","100","","100","","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C30 H25 Cl2 Fe N6 O2 -","- C30 H25 Cl2 Fe N6 O2 -","- C120 H100 Cl8 Fe4 N24 O8 -","4","1","","Pogány, Lukáš; Moncol, Jan; Pavlik, Jan; Salitros, Ivan","Series of High Spin Mononuclear Iron(III) Complexes with Schiff Base ligands derived from 2-hydroxybenzophenones","New J. Chem.","2017","","","","","10.1039/C7NJ00617A","","","1.54186","CuKα","","0.0555","0.0458","","","0.1257","0.1347","","","","","","1.082","","","","has coordinates","196896","2020-10-21","18:00:00",""
"7056216","9.4543","0.0003","15.3791","0.0004","19.5339","0.0005","90","","95.402","0.002","90","","2827.59","0.14","100","","100","","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C31 H25 Cl2 Fe N4 O3 -","- C31 H25 Cl2 Fe N4 O3 -","- C124 H100 Cl8 Fe4 N16 O12 -","4","1","","Pogány, Lukáš; Moncol, Jan; Pavlik, Jan; Salitros, Ivan","Series of High Spin Mononuclear Iron(III) Complexes with Schiff Base ligands derived from 2-hydroxybenzophenones","New J. Chem.","2017","","","","","10.1039/C7NJ00617A","","","1.54186","CuKα","","0.0362","0.0328","","","0.0941","0.0984","","","","","","1.077","","","","has coordinates","196896","2020-10-21","18:00:00",""
"7056217","10.1152","0.0003","13.0131","0.0003","13.8985","0.0004","101.157","0.002","96.653","0.002","110.337","0.002","1649.33","0.08","110","","110","","","","","","","","","6","P -1","-P 1","2","","","","- C33 H31 Br2 Fe N6 O2 -","- C33 H31 Br2 Fe N6 O2 -","- C66 H62 Br4 Fe2 N12 O4 -","2","1","","Pogány, Lukáš; Moncol, Jan; Pavlik, Jan; Salitros, Ivan","Series of High Spin Mononuclear Iron(III) Complexes with Schiff Base ligands derived from 2-hydroxybenzophenones","New J. Chem.","2017","","","","","10.1039/C7NJ00617A","","","1.54186","CuKα","","0.0348","0.0303","","","0.0788","0.0801","","","","","","0.959","","","","has coordinates,has disorder","196896","2020-10-21","18:00:00",""
"7056218","10.949","0.0003","11.8076","0.0003","13.3882","0.0003","97.761","0.002","104.537","0.002","109.503","0.002","1533.21","0.07","110","","110","","","","","","","","","6","P -1","-P 1","2","","","","- C34 H35 Cl Fe N3 O2 -","- C34 H35 Cl Fe N3 O2 -","- C68 H70 Cl2 Fe2 N6 O4 -","2","1","","Pogány, Lukáš; Moncol, Jan; Pavlik, Jan; Salitros, Ivan","Series of High Spin Mononuclear Iron(III) Complexes with Schiff Base ligands derived from 2-hydroxybenzophenones","New J. Chem.","2017","","","","","10.1039/C7NJ00617A","","","1.54186","CuKα","","0.0328","0.0288","","","0.0728","0.0738","","","","","","0.965","","","","has coordinates","196896","2020-10-21","18:00:00",""
"7056219","15.6116","0.0005","15.6116","0.0005","44.947","0.003","90","","90","","120","","9486.9","0.8","173","2","173","2","","","","","","","","7","R -3 c :H","-R 3 2""c","167","","","","- C45 H50 Cl6 Cu6 Gd2 N8 O13 -","- C45 H50.0004 Cl6 Cu6 Gd2 N8 O13 -","- C270 H300.002 Cl36 Cu36 Gd12 N48 O78 -","6","0.166667","","Wang, Hui-Sheng; Yang, Feng-Jun; Long, Qiao-Qiao; Huang, Zhi-Yong; Chen, Wei; Pan, Zhiquan","Syntheses, Crystal Structures, and Magnetic Properties of a Family of Heterometallic Octanuclear [Cu6Ln2] (Ln = Dy(III), Tb(III), Ho(III), Er(III), and Gd(III)) Complexes","New J. Chem.","2017","","","","","10.1039/C7NJ00459A","","","0.71073","MoKα","","0.0876","0.054","","","0.1363","0.1529","","","","","","1.055","","","","has coordinates","196931","2020-10-21","18:00:00",""
"7056220","15.8523","0.0006","15.8523","0.0006","44.49","0.007","90","","90","","120","","9682.3","1.6","293","2","293","2","","","","","","","","7","R -3 c :H","-R 3 2""c","167","","","","- C45 H48 Cl6 Cu6 N8 O12 Tb2 -","- C45 H48 Cl6 Cu6 N8 O12 Tb2 -","- C270 H288 Cl36 Cu36 N48 O72 Tb12 -","6","0.166667","","Wang, Hui-Sheng; Yang, Feng-Jun; Long, Qiao-Qiao; Huang, Zhi-Yong; Chen, Wei; Pan, Zhiquan","Syntheses, Crystal Structures, and Magnetic Properties of a Family of Heterometallic Octanuclear [Cu6Ln2] (Ln = Dy(III), Tb(III), Ho(III), Er(III), and Gd(III)) Complexes","New J. Chem.","2017","","","","","10.1039/C7NJ00459A","","","0.71073","MoKα","","0.1799","0.1166","","","0.3294","0.3585","","","","","","1.181","","","","has coordinates","196931","2020-10-21","18:00:00",""
"7056221","15.6219","0.0005","15.6219","0.0005","44.866","0.003","90","","90","","120","","9482.3","0.8","173","2","173","2","","","","","","","","7","R -3 c :H","-R 3 2""c","167","","","","- C45 H50 Cl6 Cu6 Ho2 N8 O13 -","- C45 H50.0004 Cl6 Cu6 Ho2 N8 O13 -","- C270 H300.002 Cl36 Cu36 Ho12 N48 O78 -","6","0.166667","","Wang, Hui-Sheng; Yang, Feng-Jun; Long, Qiao-Qiao; Huang, Zhi-Yong; Chen, Wei; Pan, Zhiquan","Syntheses, Crystal Structures, and Magnetic Properties of a Family of Heterometallic Octanuclear [Cu6Ln2] (Ln = Dy(III), Tb(III), Ho(III), Er(III), and Gd(III)) Complexes","New J. Chem.","2017","","","","","10.1039/C7NJ00459A","","","0.71073","MoKα","","0.0761","0.0389","","","0.0787","0.0867","","","","","","1.011","","","","has coordinates","196931","2020-10-21","18:00:00",""
"7056222","15.7612","0.0005","15.7612","0.0005","44.844","0.002","90","","90","","120","","9647.5","0.6","293","2","293","2","","","","","","","","7","R -3 c :H","-R 3 2""c","167","","","","- C45 H62 Cl6 Cu6 Er2 N8 O19 -","- C45 H62.0004 Cl6 Cu6 Er2 N8 O19 -","- C270 H372.002 Cl36 Cu36 Er12 N48 O114 -","6","0.166667","","Wang, Hui-Sheng; Yang, Feng-Jun; Long, Qiao-Qiao; Huang, Zhi-Yong; Chen, Wei; Pan, Zhiquan","Syntheses, Crystal Structures, and Magnetic Properties of a Family of Heterometallic Octanuclear [Cu6Ln2] (Ln = Dy(III), Tb(III), Ho(III), Er(III), and Gd(III)) Complexes","New J. Chem.","2017","","","","","10.1039/C7NJ00459A","","","0.71073","MoKα","","0.0654","0.0352","","","0.0784","0.0918","","","","","","1.042","","","","has coordinates,has disorder","196931","2020-10-21","18:00:00",""
"7056223","15.6308","0.0012","15.6308","0.0012","44.638","0.007","90","","90","","120","","9444.9","1.8","293","2","293","2","","","","","","","","7","R -3 c :H","-R 3 2""c","167","","","","- C45 H50 Cl6 Cu6 Dy2 N8 O13 -","- C45 H50.0004 Cl6 Cu6 Dy2 N8 O13 -","- C270 H300.002 Cl36 Cu36 Dy12 N48 O78 -","6","0.166667","","Wang, Hui-Sheng; Yang, Feng-Jun; Long, Qiao-Qiao; Huang, Zhi-Yong; Chen, Wei; Pan, Zhiquan","Syntheses, Crystal Structures, and Magnetic Properties of a Family of Heterometallic Octanuclear [Cu6Ln2] (Ln = Dy(III), Tb(III), Ho(III), Er(III), and Gd(III)) Complexes","New J. Chem.","2017","","","","","10.1039/C7NJ00459A","","","0.71073","MoKα","","0.1208","0.0732","","","0.1781","0.1934","","","","","","1.064","","","","has coordinates","196931","2020-10-21","18:00:00",""
"7056224","19.468","0.002","12.1352","0.0013","11.6945","0.0011","90","","92.665","0.004","90","","2759.8","0.5","173","2","173","2","","","","","","","","4","C 1 c 1","C -2yc","9","","","","- C48 H16 N16 O40 -","- C48 H16 N16 O40 -","- C96 H32 N32 O80 -","2","0.5","","Zhang, Cheng Xing; Cheng, Guangbin; xiong, hualin; yang, hongwei","14,16,34,36,54,56,74,76-octanitro-2,4,6,8-tetraoxa-1,3,5,7(1,3) -tetrabenzenacyclooctaphane and its derivatives: Thermally Stable Explosive with Outstanding Properties","New J. Chem.","2017","","","","","10.1039/C7NJ01057E","","","0.71073","MoKα","","0.1093","0.0621","","","0.1183","0.1416","","","","","","1.06","","","","has coordinates,has disorder","196932","2020-10-21","18:00:00",""
"7056225","11.2554","0.0006","19.5586","0.0009","20.6007","0.001","99.125","0.002","98.574","0.002","95.584","0.002","4393.5","0.4","173","2","173","2","","","","","","","","4","P -1","-P 1","2","","","","- C34 H28 N8 O24 -","- C34 H28 N8 O24 -","- C136 H112 N32 O96 -","4","2","","Zhang, Cheng Xing; Cheng, Guangbin; xiong, hualin; yang, hongwei","14,16,34,36,54,56,74,76-octanitro-2,4,6,8-tetraoxa-1,3,5,7(1,3) -tetrabenzenacyclooctaphane and its derivatives: Thermally Stable Explosive with Outstanding Properties","New J. Chem.","2017","","","","","10.1039/C7NJ01057E","","","0.71073","MoKα","","0.1398","0.058","","","0.1148","0.1429","","","","","","1.068","","","","has coordinates,has disorder","196932","2020-10-21","18:00:00",""
"7056226","9.022","0.0005","30.897","0.002","22.709","0.002","90","","110.681","0.003","90","","5922.3","0.7","293","2","293","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","3b","","- C56 H84 N12 O8 -","- C56 H84 N12 O8 -","- C224 H336 N48 O32 -","4","1","","Canard, Gabriel; Jacquemin, Denis; SIRI, Olivier; Azarias, Cloé; Chen, Zhongrui","Straighforward Metal-Free Synthesis of an Azacalix[6]arene Forming a Host-Guest Complex with Fullerene C60","New J. Chem.","2017","","","","","10.1039/C7NJ00697G","","","0.71073","MoKα","","0.319","0.1173","","","0.2937","0.3704","","","","","","0.914","","","","has coordinates,has disorder","196933","2020-10-21","18:00:00",""
"7056227","14.8072","0.0005","41.1391","0.0012","34.898","0.002","90","","95.387","0.005","90","","21164.4","1.5","173","0.1","173","0.1","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C185 H304 N36 O33 S9 -","- C185 H304 N36 O33 S9 -","- C740 H1216 N144 O132 S36 -","4","1","","Canard, Gabriel; Jacquemin, Denis; SIRI, Olivier; Azarias, Cloé; Chen, Zhongrui","Straighforward Metal-Free Synthesis of an Azacalix[6]arene Forming a Host-Guest Complex with Fullerene C60","New J. Chem.","2017","","","","","10.1039/C7NJ00697G","","x-ray","1.54184","CuKα","","0.2692","0.167","","","0.4174","0.4808","","","","","","1.286","","","","has coordinates,has disorder","196933","2020-10-21","18:00:00",""
"7056228","12.5399","0.0002","16.3862","0.0003","20.942","0.0003","80.9688","0.0013","86.279","0.0013","79.9538","0.0014","4181.57","0.12","100.02","0.1","100.15","","","","","","","","","9","P -1","-P 1","2","","","","- C65 H92 Cl2 Cu F24 N12 Ni O8 P4 -","- C65 H92 Cl2 Cu F24 N12 Ni O8 P4 -","- C130 H184 Cl4 Cu2 F48 N24 Ni2 O16 P8 -","2","1","","Tomczyk, Karolina; Wozny, Mateusz; Domagala, Slawomir; Wieckowska, Agnieszka; Pawłowska, Joanna; Wozniak, Krzysztof; Korybut-Daszkiewicz, Bohdan","Rotaxanes composed of dibenzo-24-crown-8 and macrocyclic transition metal complexing tetraimine units","New J. Chem.","2017","","","","","10.1039/C7NJ00909G","","x-ray","0.71073","MoKα","","0.1011","0.0762","","","0.2516","0.2663","","","","","","1.079","","","","has coordinates,has disorder","204135","2020-10-21","18:00:00",""
"7056229","12.7226","0.0004","16.6566","0.0006","20.9375","0.0006","76.752","0.003","87.027","0.003","81.031","0.003","4265.5","0.2","100","0.1","100.15","","","","","","","","","8","P -1","-P 1","2","","","","- C66 H93.5 Cl2 F24 N12.5 Ni2 O8 P4 -","- C66 H93.5 Cl2 F24 N12.5 Ni2 O8 P4 -","- C132 H187 Cl4 F48 N25 Ni4 O16 P8 -","2","1","","Tomczyk, Karolina; Wozny, Mateusz; Domagala, Slawomir; Wieckowska, Agnieszka; Pawłowska, Joanna; Wozniak, Krzysztof; Korybut-Daszkiewicz, Bohdan","Rotaxanes composed of dibenzo-24-crown-8 and macrocyclic transition metal complexing tetraimine units","New J. Chem.","2017","","","","","10.1039/C7NJ00909G","","x-ray","1.54184","CuKα","","0.1154","0.1061","","","0.3443","0.3602","","","","","","1.635","","","","has coordinates,has disorder","204135","2020-10-21","18:00:00",""
"7056230","13.7274","0.0003","16.1814","0.0004","21.4063","0.0004","74.0155","0.0019","88.0178","0.0017","69.385","0.002","4268.12","0.18","100","0.1","100","0.1","","","","","","","","8","P -1","-P 1","2","","","","- C70.7 H103.39 Cu F24 N12 Ni O10.23 P4 -","- C70.699 H103.398 Cu F24 N12 Ni O10.233 P4 -","- C141.398 H206.796 Cu2 F48 N24 Ni2 O20.466 P8 -","2","1","","Tomczyk, Karolina; Wozny, Mateusz; Domagala, Slawomir; Wieckowska, Agnieszka; Pawłowska, Joanna; Wozniak, Krzysztof; Korybut-Daszkiewicz, Bohdan","Rotaxanes composed of dibenzo-24-crown-8 and macrocyclic transition metal complexing tetraimine units","New J. Chem.","2017","","","","","10.1039/C7NJ00909G","","x-ray","0.71073","MoKα","","0.0802","0.0403","","","0.0998","0.1066","","","","","","0.923","","","","has coordinates,has disorder","204135","2020-10-21","18:00:00",""
"7056231","15.85747","0.00018","16.3923","0.0002","17.6221","0.0002","82.1184","0.0011","63.7171","0.0012","88.1675","0.001","4066.21","0.09","100","0.1","100.15","","","","","","","","","7","P -1","-P 1","2","","","","- C65.36 H96.18 F24 N12 Ni2 O10.18 P4 -","- C65.365 H96.178 F24 N12 Ni2 O10.179 P4 -","- C130.73 H192.356 F48 N24 Ni4 O20.358 P8 -","2","1","","Tomczyk, Karolina; Wozny, Mateusz; Domagala, Slawomir; Wieckowska, Agnieszka; Pawłowska, Joanna; Wozniak, Krzysztof; Korybut-Daszkiewicz, Bohdan","Rotaxanes composed of dibenzo-24-crown-8 and macrocyclic transition metal complexing tetraimine units","New J. Chem.","2017","","","","","10.1039/C7NJ00909G","","x-ray","1.54184","CuKα","","0.0895","0.0794","","","0.227","0.2364","","","","","","1.029","","","","has coordinates,has disorder","204135","2020-10-21","18:00:00",""
"7056232","6.246","0.002","23.899","0.007","8.301","0.002","90","","97.582","0.013","90","","1228.3","0.6","100","2","100","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","tetrazol ylselanyl methyl (p-tolyl) oxadiazole","2-((1H-tetrazol-5-ylselanyl)methyl)-5-(p-tolyl)-1,3,4-oxadiazole","","- C11 H10 N6 O Se -","- C11 H10 N6 O Se -","- C44 H40 N24 O4 Se4 -","4","1","","Leal, Julliano Guerin; Sauer, André Carpes; Mayer, João Cândido Pilar; Stefanello, Sílvio Terra; Gonçalves, Debora Farina; Soares, FAA; Iglesias, Bernardo Almeida; Back, Davi Fernando; Rodrigues, Oscar E. D.; Dornelles, Luciano","Synthesis and electrochemical and antioxidant properties of chalcogenocyanateoxadiazole and 5-heteroarylchalcogenomethyl-1H-tetrazole derivatives","New J. Chem.","2017","","","","","10.1039/C7NJ00920H","","","0.71073","MoKα","","0.0481","0.0386","","","0.138","0.1436","","","","","","1.167","","","","has coordinates","287889","2023-11-30","14:14:23",""
"7056233","11.0531","0.0005","12.0593","0.0006","12.8518","0.0007","63.248","0.002","75.096","0.002","88.79","0.002","1469.31","0.13","150","","150","","","","","","","","synthesis as described","4","P -1","-P 1","2","","","","- C36 H24 O8 P2 -","- C36 H24 O8 P2 -","- C72 H48 O16 P4 -","2","1","","Bouhachicha, M.; Ngo Ndimba, A.; Roisnel, T.; Lalli, C.; Argouarch, G.","Pure phosphotriesters as versatile ligands in transition metal catalysis: efficient hydrosilylation of ketones and diethylzinc addition to aldehydes","New J. Chem.","2017","","","","","10.1039/C7NJ00566K","","x-ray","0.71073","MoKα","","0.0472","0.0349","","","0.0894","0.0962","","","","","","1.033","","","","has coordinates","196969","2020-10-21","18:00:00",""
"7056234","11.0492","0.0008","6.9453","0.0006","13.528","0.001","90","","107.219","0.008","90","","991.61","0.14","297","2","297","2","","","","","","","","4","I 1 2/m 1","-I 2y","12","","4,7-Dimethyl-2H-chromen-2-thione","","- C11 H10 O S -","- C11 H10 O S -","- C44 H40 O4 S4 -","4","0.5","","Delgado Espinosa, Zuly; Saeed, Aamer; Mahmood, Shamsul; Echeverría, Gustavo A.; Piro, Oscar E.; Erben, Mauricio Federico Federico","The Effect of Chalcogen Substitution on the Structure and Spectroscopy of 4,7-Dimethyl-2H-chromen-2-one/thione Analogues","New J. Chem.","2017","","","","","10.1039/C7NJ01311F","","x-ray","1.54184","CuKα","","0.0596","0.0495","","","0.135","0.1507","","","","","","1.039","","","","has coordinates","209173","2020-10-21","18:00:00",""
"7056235","9.243","0.008","12.671","0.009","9.346","0.008","90","","117.356","0.01","90","","972.2","1.4","302","2","302","2","","","","","","","","3","P 1 21 1","P 2yb","4","","","","- C22 H28 O4 -","- C22 H28 O4 -","- C44 H56 O8 -","2","1","","P, Dhanya B; Gopalan, Greeshma; T. R., Reshmitha; Saranya, Jayaram; P, Sharathna; I.G., SHIBI; P, Nisha; K. V., Radhakrishnan","Synthesis and in vitro evaluation of zerumbone pendant derivatives: Potent candidates for anti-diabetic and anti-proliferative activities","New J. Chem.","2017","","","","","10.1039/C7NJ01098B","","","0.71073","MoKα","","0.1215","0.055","","","0.0887","0.1072","","","","","","0.814","","","","has coordinates","196994","2020-10-21","18:00:00",""
"7056236","14.688","0.016","10.009","0.01","15.31","0.016","90","","111.284","0.015","90","","2097","4","298","2","298","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C23 H28 O5 -","- C23 H28 O5 -","- C92 H112 O20 -","4","1","","P, Dhanya B; Gopalan, Greeshma; T. R., Reshmitha; Saranya, Jayaram; P, Sharathna; I.G., SHIBI; P, Nisha; K. V., Radhakrishnan","Synthesis and in vitro evaluation of zerumbone pendant derivatives: Potent candidates for anti-diabetic and anti-proliferative activities","New J. Chem.","2017","","","","","10.1039/C7NJ01098B","","","0.71073","MoKα","","0.0933","0.0509","","","0.1141","0.1289","","","","","","0.712","","","","has coordinates","196994","2020-10-21","18:00:00",""
"7056237","9.123","0.0009","16.1575","0.0015","21.934","0.002","90","","90","","90","","3233.2","0.5","294","2","294","2","","","","","","","","7","P b c a","-P 2ac 2ab","61","","","","- C26 H32 Br2 Cl4 Cu3 N4 O4 -","- C26 H32 Br2 Cl4 Cu3 N4 O4 -","- C104 H128 Br8 Cl16 Cu12 N16 O16 -","4","0.5","","Bhattacharjee, Aradhita; Halder, Shibashis; Ghosh, Koushik; Rizzoli, Corrado; Roy, Partha","Mono-, tri- and polynuclear copper(II) complexes of Schiff-base ligands: Synthesis, characterization and catalytic activity towards alcohol oxidation","New J. Chem.","2017","","","","","10.1039/C7NJ00846E","","","0.71073","MoKα","","0.0347","0.0265","","","0.0658","0.0706","","","","","","1.04","","","","has coordinates","196995","2020-10-21","18:00:00",""
"7056238","13.5037","0.0006","16.8086","0.0006","6.7657","0.0003","90","","119.501","0.004","90","","1336.56","0.11","294","2","294","2","","","","","","","","6","C 1 c 1","C -2yc","9","","","","- C11 H14 Cl Cu N5 O -","- C11 H14 Cl Cu N5 O -","- C44 H56 Cl4 Cu4 N20 O4 -","4","1","","Bhattacharjee, Aradhita; Halder, Shibashis; Ghosh, Koushik; Rizzoli, Corrado; Roy, Partha","Mono-, tri- and polynuclear copper(II) complexes of Schiff-base ligands: Synthesis, characterization and catalytic activity towards alcohol oxidation","New J. Chem.","2017","","","","","10.1039/C7NJ00846E","","","0.71073","MoKα","","0.0333","0.0294","","","0.0615","0.0629","","","","","","1.038","","","","has coordinates","196995","2020-10-21","18:00:00",""
"7056239","24.123","0.006","6.7026","0.0016","17.89","0.004","90","","90","","90","","2892.6","1.2","294","2","294","2","","","","","","","","6","P c a 21","P 2c -2ac","29","","","","- C12 H17 Cl2 Cu N3 O -","- C12 H17 Cl2 Cu N3 O -","- C96 H136 Cl16 Cu8 N24 O8 -","8","2","","Bhattacharjee, Aradhita; Halder, Shibashis; Ghosh, Koushik; Rizzoli, Corrado; Roy, Partha","Mono-, tri- and polynuclear copper(II) complexes of Schiff-base ligands: Synthesis, characterization and catalytic activity towards alcohol oxidation","New J. Chem.","2017","","","","","10.1039/C7NJ00846E","","","0.71073","MoKα","","0.0607","0.0531","","","0.1267","0.1337","","","","","","1.047","","","","has coordinates","196995","2020-10-21","18:00:00",""
"7056240","13.5975","0.0011","16.1208","0.0013","17.9767","0.0015","90","","103.432","0.001","90","","3832.8","0.5","296","2","296","2","","","","","","","","8","P 1 21 1","P 2yb","4","","","","- C58 H74 B2 Cu Fe2 Gd N21 O10 -","- C58 H74 B2 Cu Fe2 Gd N21 O10 -","- C116 H148 B4 Cu2 Fe4 Gd2 N42 O20 -","2","1","","Deng, Xiao-Wei; Cai, Li-Zheng; Zhu, Zhao-Xia; Gao, Feng; Zhou, Yanling; Yao, Min-Xia","Synthesis, Structures and Magnetic Properties of Chiral 3d-3d'-4f Heterotrimetallic Complexes Based on [(Tp*)Fe(CN)3]-","New J. Chem.","2017","","","","","10.1039/C7NJ01413A","","","0.71073","MoKα","","0.0618","0.0457","","","0.1038","0.1097","","","","","","0.951","","","","has coordinates","197017","2020-10-21","18:00:00",""
"7056241","13.4352","0.0009","16.0651","0.0011","17.6194","0.0012","90","","103.548","0.001","90","","3697.1","0.4","296","2","296","2","","","","","","","","8","P 1 21 1","P 2yb","4","","","","- C58 H74 B2 Cu Fe2 Gd N21 O10 -","- C58 H74 B2 Cu Fe2 Gd N21 O10 -","- C116 H148 B4 Cu2 Fe4 Gd2 N42 O20 -","2","1","","Deng, Xiao-Wei; Cai, Li-Zheng; Zhu, Zhao-Xia; Gao, Feng; Zhou, Yanling; Yao, Min-Xia","Synthesis, Structures and Magnetic Properties of Chiral 3d-3d'-4f Heterotrimetallic Complexes Based on [(Tp*)Fe(CN)3]-","New J. Chem.","2017","","","","","10.1039/C7NJ01413A","","","0.71073","MoKα","","0.0537","0.0421","","","0.0773","0.0813","","","","","","0.982","","","","has coordinates","197017","2020-10-21","18:00:00",""
"7056242","13.559","0.007","16.024","0.009","17.767","0.01","90","","103.229","0.009","90","","3758","4","296","2","296","2","","","","","","","","8","P 1 21 1","P 2yb","4","","","","- C58 H74 B2 Cu Fe2 N21 O10 Tb -","- C58 H74 B2 Cu Fe2 N21 O10 Tb -","- C116 H148 B4 Cu2 Fe4 N42 O20 Tb2 -","2","1","","Deng, Xiao-Wei; Cai, Li-Zheng; Zhu, Zhao-Xia; Gao, Feng; Zhou, Yanling; Yao, Min-Xia","Synthesis, Structures and Magnetic Properties of Chiral 3d-3d'-4f Heterotrimetallic Complexes Based on [(Tp*)Fe(CN)3]-","New J. Chem.","2017","","","","","10.1039/C7NJ01413A","","","0.71073","MoKα","","0.0641","0.0418","","","0.0763","0.0827","","","","","","0.922","","","","has coordinates","197017","2020-10-21","18:00:00",""
"7056243","13.4347","0.0011","16.067","0.0013","17.6509","0.0014","90","","103.589","0.001","90","","3703.4","0.5","296","2","296","2","","","","","","","","8","P 1 21 1","P 2yb","4","","","","- C58 H74 B2 Cu Dy Fe2 N21 O10 -","- C58 H74 B2 Cu Dy Fe2 N21 O10 -","- C116 H148 B4 Cu2 Dy2 Fe4 N42 O20 -","2","1","","Deng, Xiao-Wei; Cai, Li-Zheng; Zhu, Zhao-Xia; Gao, Feng; Zhou, Yanling; Yao, Min-Xia","Synthesis, Structures and Magnetic Properties of Chiral 3d-3d'-4f Heterotrimetallic Complexes Based on [(Tp*)Fe(CN)3]-","New J. Chem.","2017","","","","","10.1039/C7NJ01413A","","","0.71073","MoKα","","0.0379","0.0328","","","0.063","0.0647","","","","","","0.941","","","","has coordinates","197017","2020-10-21","18:00:00",""
"7056244","13.5669","0.0013","16.1004","0.0016","17.8246","0.0018","90","","103.271","0.001","90","","3789.5","0.6","296","2","296","2","","","","","","","","8","P 1 21 1","P 2yb","4","","","","- C58 H74 B2 Cu Fe2 N21 O10 Tb -","- C58 H74 B2 Cu Fe2 N21 O10 Tb -","- C116 H148 B4 Cu2 Fe4 N42 O20 Tb2 -","2","1","","Deng, Xiao-Wei; Cai, Li-Zheng; Zhu, Zhao-Xia; Gao, Feng; Zhou, Yanling; Yao, Min-Xia","Synthesis, Structures and Magnetic Properties of Chiral 3d-3d'-4f Heterotrimetallic Complexes Based on [(Tp*)Fe(CN)3]-","New J. Chem.","2017","","","","","10.1039/C7NJ01413A","","","0.71073","MoKα","","0.0702","0.0484","","","0.11","0.1179","","","","","","0.945","","","","has coordinates","197017","2020-10-21","18:00:00",""
"7056245","13.585","0.003","16.218","0.003","18.401","0.004","90","","103.848","0.004","90","","3936.3","1.4","296","2","296","2","","","","","","","","9","P 1 21 1","P 2yb","4","","","","- C58 H74 B2 Cl0 Cu Dy Fe2 N21 O10 -","- C58 H74 B2 Cu Dy Fe2 N21 O10 -","- C116 H148 B4 Cu2 Dy2 Fe4 N42 O20 -","2","1","","Deng, Xiao-Wei; Cai, Li-Zheng; Zhu, Zhao-Xia; Gao, Feng; Zhou, Yanling; Yao, Min-Xia","Synthesis, Structures and Magnetic Properties of Chiral 3d-3d'-4f Heterotrimetallic Complexes Based on [(Tp*)Fe(CN)3]-","New J. Chem.","2017","","","","","10.1039/C7NJ01413A","","","0.71073","MoKα","","0.0676","0.045","","","0.0807","0.088","","","","","","0.909","","","","has coordinates","197017","2020-10-21","18:00:00",""
"7056246","9.6859","0.0004","11.0724","0.0004","16.5195","0.0005","85.518","0.001","82.355","0.001","86.301","0.001","1747.91","0.11","150","","150","","","","","","","","synthesis as described","5","P -1","-P 1","2","","","","- C38 H47 Cl2 N3 Pd -","- C38 H47 Cl2 N3 Pd -","- C76 H94 Cl4 N6 Pd2 -","2","1","","Boubakri, L.; Yasar, S.; Dorcet, V.; Roisnel, T.; Bruneau, C.; Hamdi, N.; Ozdemir, I.","Synthesis and catalytic applications of palladium N-heterocyclic carbene complexes as efficient pre-catalysts for Suzuki‒Miyaura and Sonogashira coupling reactions","New J. Chem.","2017","","","","","10.1039/C7NJ00488E","","x-ray","0.71073","MoKα","","0.0356","0.0292","","","0.0774","0.0807","","","","","","1.104","","","","has coordinates","197018","2020-10-21","18:00:00",""
"7056247","10.3979","0.001","19.688","0.002","24.765","0.002","90","","99.512","0.003","90","","5000","0.8","150","","150","","","","","","","","synthesis as described","6","P 1 21/c 1","-P 2ybc","14","","","","- C52 H59 Cl4 N2 P Pd -","- C52 H59 Cl4 N2 P Pd -","- C208 H236 Cl16 N8 P4 Pd4 -","4","1","","Boubakri, L.; Yasar, S.; Dorcet, V.; Roisnel, T.; Bruneau, C.; Hamdi, N.; Ozdemir, I.","Synthesis and catalytic applications of palladium N-heterocyclic carbene complexes as efficient pre-catalysts for Suzuki‒Miyaura and Sonogashira coupling reactions","New J. Chem.","2017","","","","","10.1039/C7NJ00488E","","x-ray","0.71073","MoKα","","0.0462","0.037","","","0.0872","0.0952","","","","","","1.041","","","","has coordinates","197018","2020-10-21","18:00:00",""
"7056248","5.588","0.003","7.545","0.004","11.984","0.006","77.113","0.011","88.392","0.013","87.412","0.012","491.9","0.4","293","2","293","2","","","","","","","","4","P -1","-P 1","2","","","","- C26 H16 N4 O4 -","- C26 H16 N4 O4 -","- C26 H16 N4 O4 -","1","0.5","","Li, Guo-bi; Yang, Qing Yuan; Pan, Rongkai; Liu, Sheng-Gui; xu, yaowei","Supramolecular structural transformation of N, N´-bis(4-pyridylmethyl)-naphthalene diimide and fluorescence water sensing","New J. Chem.","2017","","","","","10.1039/C6NJ04018G","","","0.71073","MoKα","","0.0669","0.0456","","","0.1067","0.1164","","","","","","1.001","","","","has coordinates","197025","2020-10-21","18:00:00",""
"7056249","27.561","0.003","4.6812","0.0002","21.646","0.004","90","","128.914","0.017","90","","2173","0.7","293","2","293","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C26 H16 N4 O6 -","- C26 H20 N4 O6 -","- C104 H80 N16 O24 -","4","0.5","","Li, Guo-bi; Yang, Qing Yuan; Pan, Rongkai; Liu, Sheng-Gui; xu, yaowei","Supramolecular structural transformation of N, N´-bis(4-pyridylmethyl)-naphthalene diimide and fluorescence water sensing","New J. Chem.","2017","","","","","10.1039/C6NJ04018G","","","1.54178","CuKα","","0.0383","0.0366","","","0.1021","0.1045","","","","","","1.04","","","","has coordinates","197025","2020-10-21","18:00:00",""
"7056250","22.76","0.008","4.6927","0.0012","21.335","0.008","90","","115.96","0.05","90","","2048.8","1.5","373","2","373","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C26 H16 N4 O4 -","- C26 H16 N4 O4 -","- C104 H64 N16 O16 -","4","0.5","","Li, Guo-bi; Yang, Qing Yuan; Pan, Rongkai; Liu, Sheng-Gui; xu, yaowei","Supramolecular structural transformation of N, N´-bis(4-pyridylmethyl)-naphthalene diimide and fluorescence water sensing","New J. Chem.","2017","","","","","10.1039/C6NJ04018G","","","1.54178","CuKα","","0.1265","0.0888","","","0.2442","0.2899","","","","","","1.074","","","","has coordinates","197025","2020-10-21","18:00:00",""
"7056251","7.94","0.002","16.998","0.005","8.091","0.002","90","","90.287","0.005","90","","1092","0.5","173.15","","173.15","","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","1-(4-hydroxyphenyl)ethan-2-(4-fluorophenyl)-1-one","","- C14 H11 F O2 -","- C14 H11 F O2 -","- C56 H44 F4 O8 -","4","1","","Mei, Qingqing; Liu, Huizhen; Hou, Minqiang; Liu, Hangyu; Han, Buxing","Selective Hydration of Asymmetric Internal Aryl Alkynes without Directing Groups to α-Aryl Ketones over Cu-based catalyst","New J. Chem.","2017","","","","","10.1039/C7NJ00486A","","","0.71073","MoKα","","0.0527","0.0503","","","0.1162","0.1178","","","","","","1.128","","","","has coordinates","197034","2020-10-21","18:00:00",""
"7056252","10.1366","0.0012","10.928","0.0012","12.6758","0.0014","66.265","0.007","87.951","0.007","81.738","0.007","1271.6","0.3","173","","173","","","","","","","","","7","P -1","-P 1","2","","","","- C56 H60 B2 F4 N4 O2 S2 -","- C56 H60 B2 F4 N4 O2 S2 -","- C56 H60 B2 F4 N4 O2 S2 -","1","0.5","","Ozdemir, Mehmet; Choi, Donghee; Zorlu, Yunus; Cosut, Bunyemin; Kim, Hyungsug; Kim, Choongik; Usta, Hakan","A New Rod-Shaped BODIPY-Acetylene Molecule for Solution-Processed Semiconducting Microribbons in N-Channel Organic Field-Effect Transistors","New J. Chem.","2017","","","","","10.1039/C7NJ00266A","","","0.71073","MoKα","","0.16","0.086","","0.2739","0.2139","0.2344","","","","","","0.9462","","","","has coordinates","197035","2020-10-21","18:00:00",""
"7056253","22.71271","0.00079","10.67672","0.0005","7.23916","0.00027","90","","90","","90","","1755.48","0.12","298","2","298","","100","","100","","","","from LASSBio","5","P 21 21 21","P 2ac 2ab","19","LASSBio-1773","(E)-N'-(thiophen-2-ylmethylene)cyclohexanecarbohydrazide","","- C17 H18 N2 O6 S -","- C17 H18 N2 O6 S -","- C68 H72 N8 O24 S4 -","4","1","","Ibiapino, Amanda Laura; de Figueiredo, Laysa Pires; Lima, Lídia Moreira; Barreiro, Eliezer J.; Punzo, Francesco; Ferreira, Fabio Furlan","Structural and physicochemical characterization of sulfonylhydrazone derivatives designed as hypoglycemic agents","New J. Chem.","2017","","","","","10.1039/C7NJ00074J","powder diffraction","x-ray","1.54056","CuKα~1~","","","","","","","","","0.0302","1.604","","","","","","","has coordinates","205493","2020-10-21","18:00:00",""
"7056254","28.9007","0.0011","15.0348","0.0004","9.1482","0.0002","90","","90","","90","","3975","0.2","298","2","298","","100","","100","","","","from LASSBio","5","P b c a","-P 2ac 2ab","61","LASSBio-1774","(E)-N'-(thiophen-2-ylmethylene)cyclohexanecarbohydrazide","","- C18 H22 N2 O7 S -","- C18 H22 N2 O7 S -","- C144 H176 N16 O56 S8 -","8","1","","Ibiapino, Amanda Laura; de Figueiredo, Laysa Pires; Lima, Lídia Moreira; Barreiro, Eliezer J.; Punzo, Francesco; Ferreira, Fabio Furlan","Structural and physicochemical characterization of sulfonylhydrazone derivatives designed as hypoglycemic agents","New J. Chem.","2017","","","","","10.1039/C7NJ00074J","powder diffraction","x-ray","1.54056","CuKα~1~","","","","","","","","","0.01126","0.941","","","","","","","has coordinates","205493","2020-10-21","18:00:00",""
"7056255","12.8322","0.0012","10.9479","0.001","12.991","0.0012","90","","98.115","0.002","90","","1806.8","0.3","296","2","296","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C13 H22 Cd N4 O8 -","- C13 H22 Cd N4 O8 -","- C52 H88 Cd4 N16 O32 -","4","1","","Cheng, Meiling; Wang, Qinghua; Bao, Jinting; Wu, Yujuan; Sun, Lin; Yang, Bingxin; Liu, Qi","Synthesis and structural diversity of d10 metal coordination polymers constructed from new semi-rigid bis(3-methyl-1H-pyrazole-4-carboxylic acid)alkane ligands","New J. Chem.","2017","","","","","10.1039/C7NJ00835J","","","0.71073","MoKα","","0.0223","0.0201","","","0.0528","0.054","","","","","","1.04","","","","has coordinates","197061","2020-10-21","18:00:00",""
"7056256","10.076","0.0017","10.2553","0.0018","13.237","0.002","90","","90","","90","","1367.8","0.4","296","2","296","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C11 H14 Cd N4 O6 -","- C11 H14 Cd N4 O6 -","- C44 H56 Cd4 N16 O24 -","4","1","","Cheng, Meiling; Wang, Qinghua; Bao, Jinting; Wu, Yujuan; Sun, Lin; Yang, Bingxin; Liu, Qi","Synthesis and structural diversity of d10 metal coordination polymers constructed from new semi-rigid bis(3-methyl-1H-pyrazole-4-carboxylic acid)alkane ligands","New J. Chem.","2017","","","","","10.1039/C7NJ00835J","","","0.71073","MoKα","","0.0269","0.0211","","","0.0542","0.0556","","","","","","1.09","","","","has coordinates","197061","2020-10-21","18:00:00",""
"7056257","12.946","0.004","4.102","0.0013","24.925","0.006","90","","114.773","0.013","90","","1201.8","0.6","293","2","293","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C11 H12 N4 O4 -","- C11 H12 N4 O4 -","- C44 H48 N16 O16 -","4","1","","Cheng, Meiling; Wang, Qinghua; Bao, Jinting; Wu, Yujuan; Sun, Lin; Yang, Bingxin; Liu, Qi","Synthesis and structural diversity of d10 metal coordination polymers constructed from new semi-rigid bis(3-methyl-1H-pyrazole-4-carboxylic acid)alkane ligands","New J. Chem.","2017","","","","","10.1039/C7NJ00835J","","","0.71073","MoKα","","0.1066","0.0543","","","0.1486","0.1789","","","","","","0.945","","","","has coordinates","197061","2020-10-21","18:00:00",""
"7056258","12.3977","0.0011","12.6699","0.0012","9.4124","0.0009","90","","90","","90","","1478.5","0.2","293","2","293","2","","","","","","","","5","P n m a","-P 2ac 2n","62","","","","- C11 H16 N4 O7 Zn -","- C11 H16 N4 O7 Zn -","- C44 H64 N16 O28 Zn4 -","4","0.5","","Cheng, Meiling; Wang, Qinghua; Bao, Jinting; Wu, Yujuan; Sun, Lin; Yang, Bingxin; Liu, Qi","Synthesis and structural diversity of d10 metal coordination polymers constructed from new semi-rigid bis(3-methyl-1H-pyrazole-4-carboxylic acid)alkane ligands","New J. Chem.","2017","","","","","10.1039/C7NJ00835J","","","0.71073","MoKα","","0.0656","0.0548","","","0.1384","0.1446","","","","","","1.104","","","","has coordinates","197061","2020-10-21","18:00:00",""
"7056259","8.577","0.004","9.448","0.005","22.037","0.011","90","","90","","90","","1785.8","1.5","291","2","291","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C14 H19 N5 O6 Zn -","- C14 H19 N5 O6 Zn -","- C56 H76 N20 O24 Zn4 -","4","1","","Cheng, Meiling; Wang, Qinghua; Bao, Jinting; Wu, Yujuan; Sun, Lin; Yang, Bingxin; Liu, Qi","Synthesis and structural diversity of d10 metal coordination polymers constructed from new semi-rigid bis(3-methyl-1H-pyrazole-4-carboxylic acid)alkane ligands","New J. Chem.","2017","","","","","10.1039/C7NJ00835J","","","0.71073","MoKα","","0.0711","0.0609","","","0.1371","0.1404","","","","","","1.092","","","","has coordinates","197061","2020-10-21","18:00:00",""
"7056260","23.952","0.007","4.0594","0.0013","12.531","0.004","90","","90","","90","","1218.4","0.7","296","2","296","2","","","","","","","","4","P n a 21","P 2c -2n","33","","","","- C11 H12 N4 O4 -","- C11 H12 N4 O4 -","- C44 H48 N16 O16 -","4","1","","Cheng, Meiling; Wang, Qinghua; Bao, Jinting; Wu, Yujuan; Sun, Lin; Yang, Bingxin; Liu, Qi","Synthesis and structural diversity of d10 metal coordination polymers constructed from new semi-rigid bis(3-methyl-1H-pyrazole-4-carboxylic acid)alkane ligands","New J. Chem.","2017","","","","","10.1039/C7NJ00835J","","","0.71073","MoKα","","0.0796","0.0538","","","0.1437","0.1609","","","","","","1.063","","","","has coordinates","197061","2020-10-21","18:00:00",""
"7056261","8.5459","0.0004","9.4075","0.0005","21.8986","0.0011","90","","90","","90","","1760.55","0.15","296","2","296","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C14 H19 N5 O6 Zn -","- C14 H19 N5 O6 Zn -","- C56 H76 N20 O24 Zn4 -","4","1","","Cheng, Meiling; Wang, Qinghua; Bao, Jinting; Wu, Yujuan; Sun, Lin; Yang, Bingxin; Liu, Qi","Synthesis and structural diversity of d10 metal coordination polymers constructed from new semi-rigid bis(3-methyl-1H-pyrazole-4-carboxylic acid)alkane ligands","New J. Chem.","2017","","","","","10.1039/C7NJ00835J","","","0.71073","MoKα","","0.0313","0.0277","","","0.0651","0.0662","","","","","","1.06","","","","has coordinates","197061","2020-10-21","18:00:00",""
"7056262","12.259","0.004","8.409","0.003","32.758","0.009","90","","90","","90","","3376.9","1.9","296","2","296","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C15 H20 N4 O4 -","- C15 H20 N4 O4 -","- C120 H160 N32 O32 -","8","1","","Cheng, Meiling; Wang, Qinghua; Bao, Jinting; Wu, Yujuan; Sun, Lin; Yang, Bingxin; Liu, Qi","Synthesis and structural diversity of d10 metal coordination polymers constructed from new semi-rigid bis(3-methyl-1H-pyrazole-4-carboxylic acid)alkane ligands","New J. Chem.","2017","","","","","10.1039/C7NJ00835J","","","0.71073","MoKα","","0.0989","0.0658","","","0.191","0.2112","","","","","","1.066","","","","has coordinates,has disorder","197061","2020-10-21","18:00:00",""
"7056263","20.9999","0.001","15.0842","0.0006","24.1747","0.0013","90","","98.065","0.002","90","","7582","0.6","173","2","173","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C77 H89 Cl3 N8 O4 S4 -","- C77 H89 Cl3 N8 O4 S4 -","- C308 H356 Cl12 N32 O16 S16 -","4","1","","Noamane, Mohamed Habib; FERLAY, Sylvie; Abidi, Rym; Kyritsakas, Nathalie; Hosseini, Mir Wais","Synthesis of para- and meta-imino- or -amino-methyl pyridyl appended p-tert-butyl-calix[4]arene or p-tert-butyl-thiacalix[4]arene in 1,3-Alternate conformation","New J. Chem.","2017","","","","","10.1039/C7NJ01389B","","","0.71073","MoKα","","0.2124","0.0883","","","0.2363","0.3068","","","","","","1.025","","","","has coordinates,has disorder","197062","2020-10-21","18:00:00",""
"7056264","14.021","0.003","15.136","0.003","34.374","0.008","90","","93.023","0.003","90","","7285","3","173","2","173","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C76 H88 N8 O4 S4 -","- C76 H88 N8 O4 S4 -","- C304 H352 N32 O16 S16 -","4","1","","Noamane, Mohamed Habib; FERLAY, Sylvie; Abidi, Rym; Kyritsakas, Nathalie; Hosseini, Mir Wais","Synthesis of para- and meta-imino- or -amino-methyl pyridyl appended p-tert-butyl-calix[4]arene or p-tert-butyl-thiacalix[4]arene in 1,3-Alternate conformation","New J. Chem.","2017","","","","","10.1039/C7NJ01389B","","","0.71073","MoKα","","0.1536","0.109","","","0.2164","0.2415","","","","","","1.014","","","","has coordinates,has disorder","197062","2020-10-21","18:00:00",""
"7056265","20.9892","0.001","14.9268","0.0012","24.0802","0.0018","90","","98.511","0.002","90","","7461.3","0.9","173","2","173","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C81 H97 Cl3 N8 O4 -","- C81 H94 Cl3 N8 O4 -","- C324 H376 Cl12 N32 O16 -","4","1","","Noamane, Mohamed Habib; FERLAY, Sylvie; Abidi, Rym; Kyritsakas, Nathalie; Hosseini, Mir Wais","Synthesis of para- and meta-imino- or -amino-methyl pyridyl appended p-tert-butyl-calix[4]arene or p-tert-butyl-thiacalix[4]arene in 1,3-Alternate conformation","New J. Chem.","2017","","","","","10.1039/C7NJ01389B","","","0.71073","MoKα","","0.1552","0.0861","","","0.2098","0.2474","","","","","","1.027","","","","has coordinates,has disorder","197062","2020-10-21","18:00:00",""
"7056266","15.0334","0.0016","13.939","0.002","36.796","0.006","90","","97.689","0.002","90","","7641.3","1.8","173","2","173","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C76 H96 N8 O4 S4 -","- C76 H93 N8 O4 S4 -","- C304 H372 N32 O16 S16 -","4","1","","Noamane, Mohamed Habib; FERLAY, Sylvie; Abidi, Rym; Kyritsakas, Nathalie; Hosseini, Mir Wais","Synthesis of para- and meta-imino- or -amino-methyl pyridyl appended p-tert-butyl-calix[4]arene or p-tert-butyl-thiacalix[4]arene in 1,3-Alternate conformation","New J. Chem.","2017","","","","","10.1039/C7NJ01389B","","","0.71073","MoKα","","0.2218","0.1068","","","0.2769","0.3205","","","","","","1.092","","","","has coordinates,has disorder","197062","2020-10-21","18:00:00",""
"7056267","11.8534","0.0006","11.8871","0.0003","12.5771","0.0004","90","","104.182","0.004","90","","1718.13","0.12","298","2","298","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C11 H18 Dy N3 O9 -","- C11 H18 Dy N3 O9 -","- C44 H72 Dy4 N12 O36 -","4","1","","Devi, Bandhana; Koner, Rik Rani; Halder, Aditi","Dysprosium based Coordination Polymer and its Application towards Oxygen Reduction Reaction","New J. Chem.","2017","","","","","10.1039/C7NJ00985B","","","0.71073","MoKα","","0.0706","0.0552","","","0.1119","0.1235","","","","","","1.041","","","","has coordinates","197063","2020-10-21","18:00:00",""
"7056268","24.182","0.002","17.718","0.001","17.929","0.001","90","","90","","90","","7681.8","0.9","100","2","100","2","","","","","","","","4","P b c n","-P 2n 2ab","60","","","","- C120 H60 Cl4 N2 -","- C120 H60 Cl3.9994 N2 -","- C480 H240 Cl15.9976 N8 -","4","0.5","","Konarev, Dmitri V.; Troyanov, Sergey I.; Otsuka, Akihiro; Yamochi, Hideki; Saito, Gunzi; Lyubovskaya, Rimma N.","Fullerene C60 dianion salt, (Me4N+)2(C602−)·(TPC)2·2C6H4Cl2, where TPC is triptycene, obtained by a multicomponent approach","New J. Chem.","2017","","","","","10.1039/C7NJ01096F","","","0.895","synchrotron","","0.1939","0.1289","","","0.3256","0.36","","","","","","1.013","","","","has coordinates,has disorder","197064","2020-10-21","18:00:00",""
"7056269","18.945","0.011","4.954","0.003","15.2","0.009","90","","90","","90","","1426.6","1.5","296","2","296","2","","","","","","","","6","P c a 21","P 2c -2ac","29","","","","- C17 H10 B F2 N3 O -","- C17 H10 B F2 N3 O -","- C68 H40 B4 F8 N12 O4 -","4","1","","Zhang, Hui; Wu, Yanping; Fan, Minhui; Xiao, Xu-Qiong; Mack, John; Kubheka, Gugu; Nyokong, Tebello; Lu, Hua","Aza boron-pyridyl-isoindoline analogues: synthesis and photophysical properties","New J. Chem.","2017","","","","","10.1039/C7NJ00707H","","","0.71073","MoKα","","0.1627","0.0602","","","0.114","0.1568","","","","","","0.988","","","","has coordinates","197125","2020-10-21","18:00:00",""
"7056270","3.88","0.0012","11.779","0.004","19.292","0.006","90","","90.211","0.008","90","","881.7","0.5","296","2","296","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C12 H7 N O2 -","- C12 H7 N O2 -","- C48 H28 N4 O8 -","4","1","","Zhang, Hui; Wu, Yanping; Fan, Minhui; Xiao, Xu-Qiong; Mack, John; Kubheka, Gugu; Nyokong, Tebello; Lu, Hua","Aza boron-pyridyl-isoindoline analogues: synthesis and photophysical properties","New J. Chem.","2017","","","","","10.1039/C7NJ00707H","","","0.71073","MoKα","","0.1023","0.0531","","","0.1285","0.1578","","","","","","0.9","","","","has coordinates","197125","2020-10-21","18:00:00",""
"7056271","14.0062","0.0002","12.6032","0.0002","28.7138","0.0004","90","","90.001","0.001","90","","5068.64","0.13","296","2","296","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- Cs8 In5 Mo24 Na25 O96 -","- Cs8 In5.0024 Mo24 Na25 O96 -","- Cs16 In10.0048 Mo48 Na50 O192 -","2","0.5","","Savina, Aleksandra A.; Solodovnikov, Sergey F.; Belov, Dmitry A.; Solodovnikova, Zoya A.; Stefanovich, Sergey Yu.; Lazoryak, Bogdan I.; Khaikina, Elena G.","New alluaudite-related triple molybdates Na25Cs8R5(MoO4)24 (R = Sc, In): synthesis, crystal structures and properties","New J. Chem.","2017","","","","","10.1039/C7NJ00202E","","","0.71073","MoKα","","0.0387","0.0356","","","0.1067","0.1093","","","","","","1.067","","","","has coordinates","197126","2020-10-21","18:00:00",""
"7056272","14.0069","0.0003","12.6498","0.0003","28.6491","0.0006","90","","90.007","0.001","90","","5076.18","0.19","296","2","296","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- Cs8 Mo24 Na25 O96 Sc5 -","- Cs8 Mo24 Na25 O96 Sc4.9996 -","- Cs16 Mo48 Na50 O192 Sc9.9992 -","2","0.5","","Savina, Aleksandra A.; Solodovnikov, Sergey F.; Belov, Dmitry A.; Solodovnikova, Zoya A.; Stefanovich, Sergey Yu.; Lazoryak, Bogdan I.; Khaikina, Elena G.","New alluaudite-related triple molybdates Na25Cs8R5(MoO4)24 (R = Sc, In): synthesis, crystal structures and properties","New J. Chem.","2017","","","","","10.1039/C7NJ00202E","","","0.71073","MoKα","","0.0362","0.0308","","","0.0688","0.0727","","","","","","1.043","","","","has coordinates","197126","2020-10-21","18:00:00",""
"7056273","9.0536","0.0004","9.0906","0.0004","9.9218","0.0004","88.901","0.0011","88.7726","0.0011","85.6563","0.0011","813.93","0.06","100","","100","","","","","","","","","6","P -1","-P 1","2","","Ru2Cl2(N1N2-dibutanoylhydrazine)(?6-p-cymene)2","","- C30 H50 Cl2 N2 O4 Ru2 -","- C30 H50 Cl2 N2 O4 Ru2 -","- C30 H50 Cl2 N2 O4 Ru2 -","1","0.5","","Nikolić, Stefan; Ćirić, Ivanka; Roller, Alexander; Lukes, Vladimir; Arion, Vladimir; Grguric-Sipka, Sanja","Conversion of hydrazides into N,N'-diacylhydrazines in the presence of ruthenium(II)-arene complex","New J. Chem.","2017","","","","","10.1039/C7NJ00965H","","","0.71073","MoKα","","0.0153","0.0149","","","0.0387","0.039","","","","","","1.058","","","","has coordinates","197144","2020-10-21","18:00:00",""
"7056274","9.916","0.0004","12.3781","0.0005","16.9971","0.0007","76.1322","0.0015","78.331","0.0015","88.3137","0.0016","1983.17","0.14","100","","100","","","","","","","","","6","P -1","-P 1","2","","Ru2Cl2(N1N2-dibutanoylhydrazine)(?6-p-cymene)2","","- C38 H56 Cl4 N2 O2 Ru3 -","- C38 H56 Cl4 N2 O2 Ru3 -","- C76 H112 Cl8 N4 O4 Ru6 -","2","1","","Nikolić, Stefan; Ćirić, Ivanka; Roller, Alexander; Lukes, Vladimir; Arion, Vladimir; Grguric-Sipka, Sanja","Conversion of hydrazides into N,N'-diacylhydrazines in the presence of ruthenium(II)-arene complex","New J. Chem.","2017","","","","","10.1039/C7NJ00965H","","","0.71073","MoKα","","0.0236","0.0206","","","0.0498","0.0513","","","","","","1.057","","","","has coordinates","197144","2020-10-21","18:00:00",""
"7056275","9.6072","0.0005","9.7722","0.0005","17.7727","0.0008","95.264","0.002","90.7653","0.0018","93.16","0.002","1658.71","0.14","100","","100","","","","","","","","","6","P -1","-P 1","2","","Ru2Cl2(N1N2-dipentanoylhydrazine)(?6-p-cymene)2","","- C30 H50 Cl2 N2 O4 Ru2 -","- C30 H50 Cl2 N2 O4 Ru2 -","- C60 H100 Cl4 N4 O8 Ru4 -","2","1","","Nikolić, Stefan; Ćirić, Ivanka; Roller, Alexander; Lukes, Vladimir; Arion, Vladimir; Grguric-Sipka, Sanja","Conversion of hydrazides into N,N'-diacylhydrazines in the presence of ruthenium(II)-arene complex","New J. Chem.","2017","","","","","10.1039/C7NJ00965H","","","0.71073","MoKα","","0.0458","0.0337","","","0.0738","0.0816","","","","","","1.051","","","","has coordinates,has disorder","197144","2020-10-21","18:00:00",""
"7056276","13.8233","0.0006","20.4127","0.0009","12.0459","0.0005","90","","103.277","0.0016","90","","3308.2","0.2","100","","100","","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","[RuCl(propionylhydrazine)(?6-p-cymene)]Cl","","- C13 H22 Cl2 N2 O Ru -","- C13 H22 Cl2 N2 O Ru -","- C104 H176 Cl16 N16 O8 Ru8 -","8","2","","Nikolić, Stefan; Ćirić, Ivanka; Roller, Alexander; Lukes, Vladimir; Arion, Vladimir; Grguric-Sipka, Sanja","Conversion of hydrazides into N,N'-diacylhydrazines in the presence of ruthenium(II)-arene complex","New J. Chem.","2017","","","","","10.1039/C7NJ00965H","","","0.71073","MoKα","","0.0353","0.0298","","","0.0752","0.0782","","","","","","1.061","","","","has coordinates,has disorder","197144","2020-10-21","18:00:00",""
"7056277","17.7907","0.0017","15.739","0.0012","14.548","0.0012","90","","125.091","0.009","90","","3333.1","0.6","293","2","293","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C28 H18 Co N4 O4 -","- C28 H18 Co N4 O4 -","- C112 H72 Co4 N16 O16 -","4","0.5","","Shi, Weiwei; Zhang, Han; Zheng, Xiang-Yu; Lou, Shuaifeng; Hu, Bowen; Yin, GePing; Gao, Yunzhi","Two isomorphous coordination polymers derived metal oxides as high performance anodes for lithium-ion batteries","New J. Chem.","2017","","","","","10.1039/C7NJ00540G","","","0.71073","MoKα","","0.0644","0.047","","","0.1233","0.1317","","","","","","0.977","","","","has coordinates","197145","2020-10-21","18:00:00",""
"7056278","17.998","0.004","13.587","0.003","22.207","0.005","90","","110.746","0.003","90","","5078","2","","","","","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C48 H61 Cl2 Fe N3 O6 -","- C48 H61 Cl2 Fe N3 O6 -","- C192 H244 Cl8 Fe4 N12 O24 -","4","1","","Saha, Sandeepta; Choudhury, Chirantan Roy; Gomez Garcia, Carlos J.; Benmansour, Samia; Garribba, Eugenio; Frontera, Antonio; Rizzoli, Corrado; Mitra, Samiran","Trigonal prismatic anionic iron (III) complex of a radical o-imino-benzo-semiquinonate derivative: Structural and spectral analysis","New J. Chem.","2017","","","","","10.1039/C7NJ01212H","","","","","","0.133","","","","","","","","","","","","","","","has coordinates","197146","2020-10-21","18:00:00",""
"7056279","14.598","0.005","5.208","0.005","6.304","0.005","90","0.005","90","0.005","90","0.005","479.3","0.6","293","2","293","2","","","","","","","","6","P n n m","-P 2 2n","58","","","","- C2 H8 Cd2 N2 O7 V2 -","- C2 H8 Cd2 N2 O7 V2 -","- C4 H16 Cd4 N4 O14 V4 -","2","0.25","","Li, Ning; Zhao, Jian-Guo; Xu, Li; Zhang, Zhong; Huang, Liping; Liu, Yiwei; Lu, Ying; Liu, Shuxia","A 3D cadmium−vanadium bimetallic framework with luminescence properties","New J. Chem.","2017","","","","","10.1039/C7NJ01258F","","","0.71069","MoKα","","0.018","0.018","","","0.0476","0.0476","","","","","","1.295","","","","has coordinates","197147","2020-10-21","18:00:00",""
"7056280","10.173","0.002","10.372","0.002","11.119","0.002","90","","90","","90","","1173.2","0.4","293","2","293","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C8 H8 Eu N3 O6 -","- C8 H8 Eu N3 O6 -","- C32 H32 Eu4 N12 O24 -","4","1","","Sun, Yan-Qiong; Liu, Qi; Liu, Le-Hui; Ding, Ling; Chen, Yi-Ping","Two 3D nonlinear optical and luminescent Lanthanide-organic frameworks with multidirectional helical intersecting channels","New J. Chem.","2017","","","","","10.1039/C7NJ01081H","","","0.71073","MoKα","","0.0156","0.0149","","","0.034","0.0342","","","","","","0.984","","","","has coordinates","197198","2020-10-21","18:00:00",""
"7056281","10.243","0.002","10.371","0.002","11.131","0.002","90","","90","","90","","1182.4","0.4","293","2","293","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C8 H8 N3 O6 Sm -","- C8 H8 N3 O6 Sm -","- C32 H32 N12 O24 Sm4 -","4","1","","Sun, Yan-Qiong; Liu, Qi; Liu, Le-Hui; Ding, Ling; Chen, Yi-Ping","Two 3D nonlinear optical and luminescent Lanthanide-organic frameworks with multidirectional helical intersecting channels","New J. Chem.","2017","","","","","10.1039/C7NJ01081H","","","0.71073","MoKα","","0.0131","0.0129","","","0.0289","0.029","","","","","","1.14","","","","has coordinates","197198","2020-10-21","18:00:00",""
"7056282","6.5251","0.0003","11.4616","0.0004","12.7135","0.0005","114.126","0.001","103.656","0.001","90.594","0.001","837.09","0.06","296","2","296","2","","","","","","","","4","P -1","-P 1","2","","","","- B10 Ca3 O23 V2 -","- B10 Ca3 O23 V2 -","- B20 Ca6 O46 V4 -","2","1","","Chen, Zhaohui; Liu, Yaqin; Shi, Yunjing; Zhang, Wenyao; Jing, Qun; Fang, Yuan; Dong, Xiaoyu","M3V2B10O23 (M = Ca, Sr): Two new vanadoborates with new [V2B10O23]\ιnfty double layers","New J. Chem.","2017","","","","","10.1039/C6NJ04069A","","","0.71073","MoKα","","0.0643","0.0561","","","0.1293","0.1361","","","","","","0.925","","","","has coordinates","197199","2020-10-21","18:00:00",""
"7056283","6.639","0.002","11.571","0.004","12.998","0.004","114.333","0.003","103.334","0.003","90.432","0.003","879.3","0.5","296","2","296","2","","","","","","","","4","P -1","-P 1","2","","","","- B10 O23 Sr3 V2 -","- B10 O23 Sr3 V2 -","- B20 O46 Sr6 V4 -","2","1","","Chen, Zhaohui; Liu, Yaqin; Shi, Yunjing; Zhang, Wenyao; Jing, Qun; Fang, Yuan; Dong, Xiaoyu","M3V2B10O23 (M = Ca, Sr): Two new vanadoborates with new [V2B10O23]\ιnfty double layers","New J. Chem.","2017","","","","","10.1039/C6NJ04069A","","","0.71073","MoKα","","0.0722","0.0516","","","0.1245","0.1406","","","","","","1.018","","","","has coordinates","197200","2020-10-21","18:00:00",""
"7056284","8.0718","0.0006","8.2115","0.0007","11.4425","0.0009","76.477","0.003","82.582","0.003","70.713","0.003","694.9","0.1","100","2","100","","","","","","","","","5","P -1","-P 1","2","","","","- C13 H7 F3 N4 O6 -","- C13 H7 F3 N4 O6 -","- C26 H14 F6 N8 O12 -","2","1","","GAUR, PINKI; Bhaskar Yamjala, Kanka Durga; Banerjee, Shaibal","Efficient Synthetic route to Aromatic Secondary Amines via Pd/RuPhos/TBAB Catalyzed Cross Coupling","New J. Chem.","2017","","","","","10.1039/C7NJ01095H","","","0.71073","MoKα","","0.0756","0.0447","","","","0.1423","","","","","","0.9722","","","","has coordinates","197556","2020-10-21","18:00:00",""
"7056285","8.729","0.003","11.511","0.004","11.634","0.004","104.63","0.005","93.584","0.004","95.062","0.005","1122.3","0.7","296.15","","296.15","","","","","","","","","6","P -1","-P 1","2","","","","- C16 H18 Cl In N2 O15 -","- C16 H18 Cl In N2 O15 -","- C32 H36 Cl2 In2 N4 O30 -","2","1","","Zhang, Lijing; Bai, Fengying; Gao, Xue; Du, Ning; Xing, Yong Heng; Sun, Lixian","Multifunctional Indium Complexes with Fluorescent Sensing and Selective Adsorption Dye Properties","New J. Chem.","2017","","","","","10.1039/C7NJ00680B","","","0.71073","MoKα","","0.0192","0.0178","","","0.0457","0.0468","","","","","","1.068","","","","has coordinates","197557","2020-10-21","18:00:00",""
"7056286","11.882","0.006","16.042","0.008","7.377","0.005","90","","90","","90","","1406.1","1.4","293","2","293","2","","","","","","","","6","C m c m","-C 2c 2","63","","","","- C10 H11 Cl4 In N2 O -","- C10 H11 Cl4 In N2 O -","- C40 H44 Cl16 In4 N8 O4 -","4","0.25","","Zhang, Lijing; Bai, Fengying; Gao, Xue; Du, Ning; Xing, Yong Heng; Sun, Lixian","Multifunctional Indium Complexes with Fluorescent Sensing and Selective Adsorption Dye Properties","New J. Chem.","2017","","","","","10.1039/C7NJ00680B","","","0.71073","MoKα","","0.0333","0.0296","","","0.0663","0.0679","","","","","","1.174","","","","has coordinates","197557","2020-10-21","18:00:00",""
"7056287","7.4216","0.0011","20.76","0.003","10.8627","0.0016","90","","91.634","0.002","90","","1673","0.4","296.15","","296.15","","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C13 H15 Cl2 In N O7 -","- C13 H15 Cl2 In N O7 -","- C52 H60 Cl8 In4 N4 O28 -","4","1","","Zhang, Lijing; Bai, Fengying; Gao, Xue; Du, Ning; Xing, Yong Heng; Sun, Lixian","Multifunctional Indium Complexes with Fluorescent Sensing and Selective Adsorption Dye Properties","New J. Chem.","2017","","","","","10.1039/C7NJ00680B","","","0.71073","MoKα","","0.0512","0.0296","","","0.0533","0.0589","","","","","","1.005","","","","has coordinates,has disorder","197557","2020-10-21","18:00:00",""
"7056288","7.3473","0.0009","10.8184","0.0013","20.154","0.002","90","","90","","90","","1602","0.3","296.15","","296.15","","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C14 H13 Cl In N O8 -","- C14 H13 Cl In N O8 -","- C56 H52 Cl4 In4 N4 O32 -","4","1","","Zhang, Lijing; Bai, Fengying; Gao, Xue; Du, Ning; Xing, Yong Heng; Sun, Lixian","Multifunctional Indium Complexes with Fluorescent Sensing and Selective Adsorption Dye Properties","New J. Chem.","2017","","","","","10.1039/C7NJ00680B","","","0.71073","MoKα","","0.0757","0.0496","","","0.0916","0.1021","","","","","","1.05","","","","has coordinates","197557","2020-10-21","18:00:00",""
"7056289","9.97961","0.00016","25.3617","0.0006","10.5814","0.0002","90","","94.6162","0.0016","90","","2669.46","0.09","150","","150","","","","","","","","no","7","P 1 21 1","P 2yb","4","no","Salt of tin(IV) dichloride phthalocyanine with cryptand[2,2,1](Na+) cations, dichlorobenzene solvate","","- C54 H52 Cl4 N10 Na O5 Sn -","- C54 H52 Cl4 N10 Na O5 Sn -","- C108 H104 Cl8 N20 Na2 O10 Sn2 -","2","1","","Konarev, Dmitri V.; Faraonov, Maxim A.; Kuz`min, Alexey V.; Khasanov, Salavat S.; Nakano, Yoshiaki; Norko, Semen I.; Otsuka, Akihiro; Yamochi, Hideki; Saito, Gunzi; Lyubovskaya, Rimma N.; Batov, Mikhail S.","Crystalline salts of metal phthalocyanine radical anions [M{Pc(•3-)}](•-) (M = Cu(II), Pb(II), V(IV)O, Sn(IV)Cl2) with cryptand(Na+) cations: structure, optical and magnetic properties","New J. Chem.","2017","","","","","10.1039/C7NJ00530J","","","0.71073","MoKα","","0.0929","0.0806","","","0.2292","0.2445","","","","","","1.072","","","","has coordinates,has disorder","197593","2020-10-21","18:00:00",""
"7056290","10.2257","0.0004","25.3147","0.0011","10.6978","0.0004","90","","96.022","0.003","90","","2753.96","0.19","150","","150","","","","","","","","no","7","P 1 21 1","P 2yb","4","no","Salt of tin(IV) dichloride phthalocyanine with the crytand[2,2,2](Na+) cations, dichlorobenzene solvate","","- C56 H56 Cl4 N10 Na O6 Sn -","- C56 H56 Cl4 N10 Na O6 Sn -","- C112 H112 Cl8 N20 Na2 O12 Sn2 -","2","1","","Konarev, Dmitri V.; Faraonov, Maxim A.; Kuz`min, Alexey V.; Khasanov, Salavat S.; Nakano, Yoshiaki; Norko, Semen I.; Otsuka, Akihiro; Yamochi, Hideki; Saito, Gunzi; Lyubovskaya, Rimma N.; Batov, Mikhail S.","Crystalline salts of metal phthalocyanine radical anions [M{Pc(•3-)}](•-) (M = Cu(II), Pb(II), V(IV)O, Sn(IV)Cl2) with cryptand(Na+) cations: structure, optical and magnetic properties","New J. Chem.","2017","","","","","10.1039/C7NJ00530J","","","0.71073","MoKα","","0.0876","0.0732","","","0.2171","0.2327","","","","","","1.091","","","","has coordinates,has disorder","197593","2020-10-21","18:00:00",""
"7056291","12.7645","0.0001","14.9025","0.0002","27.6673","0.0003","90","","91.874","0.001","90","","5260.14","0.1","120","2","120.15","","","","","","","","no","7","P 1 21/c 1","-P 2ybc","14","no","salt of vanadyl phthalocyanine with the cryptand[2,2,2](Na+) cations, dichlorobenzene solvate","","- C56 H56 Cl2 N10 Na O7 V -","- C56 H56 Cl2 N10 Na O7 V -","- C224 H224 Cl8 N40 Na4 O28 V4 -","4","1","","Konarev, Dmitri V.; Faraonov, Maxim A.; Kuz`min, Alexey V.; Khasanov, Salavat S.; Nakano, Yoshiaki; Norko, Semen I.; Otsuka, Akihiro; Yamochi, Hideki; Saito, Gunzi; Lyubovskaya, Rimma N.; Batov, Mikhail S.","Crystalline salts of metal phthalocyanine radical anions [M{Pc(•3-)}](•-) (M = Cu(II), Pb(II), V(IV)O, Sn(IV)Cl2) with cryptand(Na+) cations: structure, optical and magnetic properties","New J. Chem.","2017","","","","","10.1039/C7NJ00530J","","","0.71073","MoKα","","0.048","0.037","","","0.0896","0.0956","","","","","","1.022","","","","has coordinates","197593","2020-10-21","18:00:00",""
"7056292","12.5241","0.0008","12.6333","0.001","19.1273","0.001","81.244","0.005","72.634","0.005","64.528","0.007","2606.6","0.3","120","2","120","2","","","","","","","no","7","P -1","-P 1","2","no","copper phthalocyanine salt with cryptand[2,2,2] sodium cations, dichlorobenzene solvate","","- C56 H56 Cl2 Cu N10 Na O6 -","- C56 H56 Cl2 Cu N10 Na O6 -","- C112 H112 Cl4 Cu2 N20 Na2 O12 -","2","1","","Konarev, Dmitri V.; Faraonov, Maxim A.; Kuz`min, Alexey V.; Khasanov, Salavat S.; Nakano, Yoshiaki; Norko, Semen I.; Otsuka, Akihiro; Yamochi, Hideki; Saito, Gunzi; Lyubovskaya, Rimma N.; Batov, Mikhail S.","Crystalline salts of metal phthalocyanine radical anions [M{Pc(•3-)}](•-) (M = Cu(II), Pb(II), V(IV)O, Sn(IV)Cl2) with cryptand(Na+) cations: structure, optical and magnetic properties","New J. Chem.","2017","","","","","10.1039/C7NJ00530J","","x-ray","0.71073","MoKα","","0.1077","0.057","","","0.088","0.1048","","","","","","1.021","","","","has coordinates","197593","2020-10-21","18:00:00",""
"7056293","12.73638","0.00018","30.5287","0.0004","14.2894","0.0002","90","","109.232","0.0016","90","","5246","0.13","150","0.14","150","0.14","","","","","","","no","7","P 1 21/c 1","-P 2ybc","14","no","lead phthalocyanine salt with cryptand[2,2,2] sodium cations, dichlorobenzene solvate","","- C56 H56 Cl2 N10 Na O6 Pb -","- C56.0018 H56.0036 Cl2 N10.0002 Na1.0001 O6.0006 Pb -","- C224.007 H224.014 Cl8 N40.0008 Na4.0004 O24.0024 Pb4 -","4","1","","Konarev, Dmitri V.; Faraonov, Maxim A.; Kuz`min, Alexey V.; Khasanov, Salavat S.; Nakano, Yoshiaki; Norko, Semen I.; Otsuka, Akihiro; Yamochi, Hideki; Saito, Gunzi; Lyubovskaya, Rimma N.; Batov, Mikhail S.","Crystalline salts of metal phthalocyanine radical anions [M{Pc(•3-)}](•-) (M = Cu(II), Pb(II), V(IV)O, Sn(IV)Cl2) with cryptand(Na+) cations: structure, optical and magnetic properties","New J. Chem.","2017","","","","","10.1039/C7NJ00530J","","x-ray","0.71073","MoKα","","0.0253","0.0217","","","0.0504","0.0522","","","","","","1.031","","","","has coordinates,has disorder","197593","2020-10-21","18:00:00",""
"7056294","9.9052","0.0002","8.351","0.0001","25.7006","0.0005","90","","100.503","0.002","90","","2090.29","0.07","293","2","293","2","","","","","","","synthesis as described","6","P 1 2/n 1","-P 2yac","13","","","","- C19 H12 Cl3 Mn N2 O8 -","- C19 H12 Cl3 Mn N2 O8 -","- C76 H48 Cl12 Mn4 N8 O32 -","4","1","","Androš Dubraja, Lidija; Molcanov, Kresimir; Žilić, Dijana; Kojic-Prodic, Biserka; Wenger, Emmanuel","Multifunctionality and size of the chloranilate ligand define the topology of transition metal coordination polymers","New J. Chem.","2017","","","","","10.1039/C7NJ01058C","","x-ray","1.54184","CuKα","","0.0489","0.0455","","","0.1251","0.1277","","","","","","1.065","","","","has coordinates","197639","2020-10-21","18:00:00",""
"7056295","12.3913","0.0003","15.4738","0.0003","16.4123","0.0002","90","","112.604","0.002","90","","2905.17","0.11","293","2","293","2","","","","","","","synthesis as described","6","C 1 2/c 1","-C 2yc","15","","","","- C32 H22 Cl2 N4 Ni O5 -","- C32 H22 Cl2 N4 Ni O5 -","- C128 H88 Cl8 N16 Ni4 O20 -","4","0.5","","Androš Dubraja, Lidija; Molcanov, Kresimir; Žilić, Dijana; Kojic-Prodic, Biserka; Wenger, Emmanuel","Multifunctionality and size of the chloranilate ligand define the topology of transition metal coordination polymers","New J. Chem.","2017","","","","","10.1039/C7NJ01058C","","x-ray","1.54179","CuKα","","0.0425","0.0396","","","0.1145","0.1177","","","","","","1.064","","","","has coordinates","197639","2020-10-21","18:00:00",""
"7056296","9.1303","0.0002","14.5345","0.0004","16.2519","0.0004","111.927","0.002","101.346","0.002","91.831","0.002","1948.36","0.09","293","2","293","2","","","","","","","synthesis as described","6","P -1","-P 1","2","","","","- C36 H30 Cl4 N6 Ni2 O4 -","- C36 H30 Cl4 N6 Ni2 O4 -","- C72 H60 Cl8 N12 Ni4 O8 -","2","1","","Androš Dubraja, Lidija; Molcanov, Kresimir; Žilić, Dijana; Kojic-Prodic, Biserka; Wenger, Emmanuel","Multifunctionality and size of the chloranilate ligand define the topology of transition metal coordination polymers","New J. Chem.","2017","","","","","10.1039/C7NJ01058C","","x-ray","1.54179","CuKα","","0.038","0.0326","","","0.0845","0.0886","","","","","","1.029","","","","has coordinates","197639","2020-10-21","18:00:00",""
"7056297","9.9429","0.0005","13.0412","0.0008","13.3013","0.0007","101.807","0.005","109.788","0.005","110.194","0.005","1418.63","0.18","293","2","293","2","","","","","","","","6","P -1","-P 1","2","","","","- C28 H21 Cl2 N5 Ni O5 -","- C28 H21 Cl2 N5 Ni O5 -","- C56 H42 Cl4 N10 Ni2 O10 -","2","1","","Androš Dubraja, Lidija; Molcanov, Kresimir; Žilić, Dijana; Kojic-Prodic, Biserka; Wenger, Emmanuel","Multifunctionality and size of the chloranilate ligand define the topology of transition metal coordination polymers","New J. Chem.","2017","","","","","10.1039/C7NJ01058C","","","1.54179","CuKα","","0.0588","0.0558","","","","0.1667","","","","","","1.05","","","","has coordinates","197639","2020-10-21","18:00:00",""
"7056298","9.2556","0.0003","14.8268","0.0006","16.1754","0.0006","111.483","0.004","100.81","0.003","92.223","0.003","2014.82","0.14","293","2","293","2","","","","","","","synthesis as described","6","P -1","-P 1","2","","","","- C36 H30 Cl4 Mn2 N6 O4 -","- C36 H30 Cl4 Mn2 N6 O4 -","- C72 H60 Cl8 Mn4 N12 O8 -","2","1","","Androš Dubraja, Lidija; Molcanov, Kresimir; Žilić, Dijana; Kojic-Prodic, Biserka; Wenger, Emmanuel","Multifunctionality and size of the chloranilate ligand define the topology of transition metal coordination polymers","New J. Chem.","2017","","","","","10.1039/C7NJ01058C","","x-ray","1.54179","CuKα","","0.0395","0.0328","","","0.083","0.0878","","","","","","1.055","","","","has coordinates","197639","2020-10-21","18:00:00",""
"7056299","14.2239","0.0004","14.4704","0.0004","20.2197","0.0006","90","","103.441","0.003","90","","4047.7","0.2","293","2","293","2","","","","","","","","6","I 1 2/a 1","-I 2ya","15","","","","- C38 H22 Cl4 Mn2 N4 O9 -","- C38 H22 Cl4 Mn2 N4 O9 -","- C152 H88 Cl16 Mn8 N16 O36 -","4","0.5","","Androš Dubraja, Lidija; Molcanov, Kresimir; Žilić, Dijana; Kojic-Prodic, Biserka; Wenger, Emmanuel","Multifunctionality and size of the chloranilate ligand define the topology of transition metal coordination polymers","New J. Chem.","2017","","","","","10.1039/C7NJ01058C","","","1.54184","CuKα","","0.064","0.0551","","","","0.1739","","","","","","1.021","","","","has coordinates","197639","2020-10-21","18:00:00",""
"7056300","12.1676","0.0014","20.804","0.002","8.437","0.002","90","","98.687","0.002","90","","2111.2","0.6","100","2","100","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C18.81 H16.42 Cl2 Co N2 O5 -","- C18.806 H16.418 Cl2 Co N2 O5 -","- C75.224 H65.672 Cl8 Co4 N8 O20 -","4","0.5","","Androš Dubraja, Lidija; Molcanov, Kresimir; Žilić, Dijana; Kojic-Prodic, Biserka; Wenger, Emmanuel","Multifunctionality and size of the chloranilate ligand define the topology of transition metal coordination polymers","New J. Chem.","2017","","","","","10.1039/C7NJ01058C","","","0.71073","MoKα","","0.0598","0.0437","","","","0.13","","","","","","0.874","","","","has coordinates,has disorder","197639","2020-10-21","18:00:00",""
"7056301","11.2439","0.0005","11.9828","0.0004","12.2375","0.0005","67.691","0.004","71.274","0.004","82.655","0.003","1444.61","0.11","293","2","293","2","","","","","","","","6","P -1","-P 1","2","","","","- C61 H36 Cl6 Cr2 N10 O14 -","- C61 H36 Cl6 Cr2 N10 O14 -","- C61 H36 Cl6 Cr2 N10 O14 -","1","0.5","","Androš Dubraja, Lidija; Molcanov, Kresimir; Žilić, Dijana; Kojic-Prodic, Biserka; Wenger, Emmanuel","Multifunctionality and size of the chloranilate ligand define the topology of transition metal coordination polymers","New J. Chem.","2017","","","","","10.1039/C7NJ01058C","","","1.54179","CuKα","","0.054","0.0517","","","","0.1473","","","","","","1.058","","","","has coordinates","197639","2020-10-21","18:00:00",""
"7056302","13.9521","0.0008","10.5005","0.0005","14.1217","0.0008","90","","117.346","0.003","90","","1837.69","0.18","296","2","296","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C23 H13 Cl N4 -","- C23 H13 Cl N4 -","- C92 H52 Cl4 N16 -","4","2","","Giardinetti, Maxime; Marrot, Jérome; Coeffard, Vincent; Moreau, Xavier; Greck, Christine","Synthesis and Fluorosolvatochromic Properties of 1,7-Annulated Indoles","New J. Chem.","2017","","","","","10.1039/C7NJ00365J","","","0.71073","MoKα","","0.0797","0.053","","","0.1221","0.1402","","","","","","1.113","","","","has coordinates","197761","2020-10-21","18:00:00",""
"7056303","19.6402","0.0013","8.4523","0.0005","21.958","0.003","90","","93.816","0.01","90","","3637.1","0.6","93","2","93","2","","","","","","","","5","I 1 2/a 1","-I 2ya","15","","","","- C30 H44 Mn2 N6 O16 -","- C30 H44 Mn2 N6 O16 -","- C120 H176 Mn8 N24 O64 -","4","0.5","","Shopov, Dimitar Yavorov; Sharninghausen, Liam; Sinha, Shashi Bhushan; Borowski, Julia; Mercado, Brandon; Brudvig, Gary; Crabtree, Robert H.","Synthesis of Pyridine-Alkoxide Ligands for Formation of Polynuclear Complexes","New J. Chem.","2017","","","","","10.1039/C7NJ01845B","","","0.71075","MoKα","","0.089","0.0625","","","0.0844","0.0916","","","","","","1.069","","","","has coordinates","197762","2020-10-21","18:00:00",""
"7056304","20.2718","0.0014","14.4091","0.001","24.8638","0.0017","90","","90","","90","","7262.7","0.9","93","2","93","2","","","","","","","","8","P b c a","-P 2ac 2ab","61","","","","- C66 H74 Cl4 F12 Mn4 N8 O12 P2 -","- C66 H74 Cl4 F12 Mn4 N8 O12 P2 -","- C264 H296 Cl16 F48 Mn16 N32 O48 P8 -","4","0.5","","Shopov, Dimitar Yavorov; Sharninghausen, Liam; Sinha, Shashi Bhushan; Borowski, Julia; Mercado, Brandon; Brudvig, Gary; Crabtree, Robert H.","Synthesis of Pyridine-Alkoxide Ligands for Formation of Polynuclear Complexes","New J. Chem.","2017","","","","","10.1039/C7NJ01845B","","","0.71073","MoKα","","0.1098","0.0577","","","0.1252","0.1513","","","","","","1.032","","","","has coordinates,has disorder","197762","2020-10-21","18:00:00",""
"7056305","8.325","0.0001","10.8767","0.0001","8.5879","0.0006","90","","110.364","0.008","90","","729.02","0.06","93","2","93","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C15 H20 N2 O3 -","- C15 H20 N2 O3 -","- C30 H40 N4 O6 -","2","1","","Shopov, Dimitar Yavorov; Sharninghausen, Liam; Sinha, Shashi Bhushan; Borowski, Julia; Mercado, Brandon; Brudvig, Gary; Crabtree, Robert H.","Synthesis of Pyridine-Alkoxide Ligands for Formation of Polynuclear Complexes","New J. Chem.","2017","","","","","10.1039/C7NJ01845B","","","1.54187","CuKα","","0.0276","0.0263","","","0.0616","0.0623","","","","","","1.057","","","","has coordinates","197762","2020-10-21","18:00:00",""
"7056306","9.7305","0.0007","20.371","0.0014","15.4532","0.0011","90","","90","","90","","3063.1","0.4","93","2","93","2","","","","","","","","5","C 2 2 21","C 2c 2","20","","","","- C30 H32 Cu2 N4 O4 -","- C30 H32 Cu2 N4 O4 -","- C120 H128 Cu8 N16 O16 -","4","0.5","","Shopov, Dimitar Yavorov; Sharninghausen, Liam; Sinha, Shashi Bhushan; Borowski, Julia; Mercado, Brandon; Brudvig, Gary; Crabtree, Robert H.","Synthesis of Pyridine-Alkoxide Ligands for Formation of Polynuclear Complexes","New J. Chem.","2017","","","","","10.1039/C7NJ01845B","","","1.54178","CuKα","","0.0222","0.0216","","","0.0594","0.0597","","","","","","1.048","","","","has coordinates","197762","2020-10-21","18:00:00",""
"7056307","8.267","0.004","14.974","0.008","12.165","0.006","90","","91.544","0.012","90","","1505.4","1.3","223","2","223","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C31 H36 Co2 N4 O9 -","- C31 H36 Co2 N4 O9 -","- C62 H72 Co4 N8 O18 -","2","1","","Shopov, Dimitar Yavorov; Sharninghausen, Liam; Sinha, Shashi Bhushan; Borowski, Julia; Mercado, Brandon; Brudvig, Gary; Crabtree, Robert H.","Synthesis of Pyridine-Alkoxide Ligands for Formation of Polynuclear Complexes","New J. Chem.","2017","","","","","10.1039/C7NJ01845B","","","0.71075","MoKα","","0.0554","0.045","","","0.0778","0.081","","","","","","1.052","","","","has coordinates","197762","2020-10-21","18:00:00",""
"7056308","8.3252","0.0003","14.6827","0.0005","11.7096","0.0008","90","","105.716","0.007","90","","1377.83","0.13","93","2","93","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C30 H34 Cu N4 O4 -","- C30 H34 Cu N4 O4 -","- C60 H68 Cu2 N8 O8 -","2","0.5","","Shopov, Dimitar Yavorov; Sharninghausen, Liam; Sinha, Shashi Bhushan; Borowski, Julia; Mercado, Brandon; Brudvig, Gary; Crabtree, Robert H.","Synthesis of Pyridine-Alkoxide Ligands for Formation of Polynuclear Complexes","New J. Chem.","2017","","","","","10.1039/C7NJ01845B","","","0.71075","MoKα","","0.0355","0.0323","","","0.0789","0.0805","","","","","","1.098","","","","has coordinates","197762","2020-10-21","18:00:00",""
"7056309","14.868","0.0004","16.1416","0.0004","16.3814","0.0005","90","","95.451","0.003","90","","3913.65","0.19","93","2","93","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C36 H47 Cl4 N4 Ni2 O8 -","- C36 H47 Cl4 N4 Ni2 O8 -","- C144 H188 Cl16 N16 Ni8 O32 -","4","0.5","","Shopov, Dimitar Yavorov; Sharninghausen, Liam; Sinha, Shashi Bhushan; Borowski, Julia; Mercado, Brandon; Brudvig, Gary; Crabtree, Robert H.","Synthesis of Pyridine-Alkoxide Ligands for Formation of Polynuclear Complexes","New J. Chem.","2017","","","","","10.1039/C7NJ01845B","","","0.71073","MoKα","","0.0461","0.0332","","","0.0756","0.081","","","","","","1.059","","","","has coordinates,has disorder","197762","2020-10-21","18:00:00",""
"7056310","8.3214","0.0005","14.6642","0.0009","11.6946","0.0008","90","","105.64","0.007","90","","1374.22","0.16","93","2","93","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C30 H34 N4 Ni O4 -","- C30 H34 N4 Ni O4 -","- C60 H68 N8 Ni2 O8 -","2","0.5","","Shopov, Dimitar Yavorov; Sharninghausen, Liam; Sinha, Shashi Bhushan; Borowski, Julia; Mercado, Brandon; Brudvig, Gary; Crabtree, Robert H.","Synthesis of Pyridine-Alkoxide Ligands for Formation of Polynuclear Complexes","New J. Chem.","2017","","","","","10.1039/C7NJ01845B","","","0.71075","MoKα","","0.0386","0.0339","","","0.0691","0.071","","","","","","1.135","","","","has coordinates","197762","2020-10-21","18:00:00",""
"7056311","33.988","0.002","22.4348","0.0004","25.8057","0.0004","90","","90","","90","","19677.2","1.2","93","2","93","2","","","","","","","","6","F d d 2","F 2 -2d","43","","","","- C45 H46 Cl4 Mn3 N6 O6 -","- C45 H46 Cl4 Mn3 N6 O6 -","- C720 H736 Cl64 Mn48 N96 O96 -","16","1","","Shopov, Dimitar Yavorov; Sharninghausen, Liam; Sinha, Shashi Bhushan; Borowski, Julia; Mercado, Brandon; Brudvig, Gary; Crabtree, Robert H.","Synthesis of Pyridine-Alkoxide Ligands for Formation of Polynuclear Complexes","New J. Chem.","2017","","","","","10.1039/C7NJ01845B","","","1.54187","CuKα","","0.0529","0.0515","","","0.1372","0.1391","","","","","","1.064","","","","has coordinates","197762","2020-10-21","18:00:00",""
"7056312","8.7376","0.0014","12.3604","0.0019","9.2476","0.0014","90","","108.002","0.008","90","","949.9","0.3","93","2","93","2","","","","","","","","4","P 1 n 1","P -2yac","7","","","","- C22 H25 N3 O3 -","- C22 H25 N3 O3 -","- C44 H50 N6 O6 -","2","1","","Shopov, Dimitar Yavorov; Sharninghausen, Liam; Sinha, Shashi Bhushan; Borowski, Julia; Mercado, Brandon; Brudvig, Gary; Crabtree, Robert H.","Synthesis of Pyridine-Alkoxide Ligands for Formation of Polynuclear Complexes","New J. Chem.","2017","","","","","10.1039/C7NJ01845B","","","0.71075","MoKα","","0.1102","0.098","","","0.2348","0.2438","","","","","","1.094","","","","has coordinates","197762","2020-10-21","18:00:00",""
"7056313","9.7831","0.0007","9.0271","0.0006","16.4023","0.0012","90","","103.691","0.007","90","","1407.38","0.18","93","2","93","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C15 H20 N2 O3 -","- C15 H20 N2 O3 -","- C60 H80 N8 O12 -","4","1","","Shopov, Dimitar Yavorov; Sharninghausen, Liam; Sinha, Shashi Bhushan; Borowski, Julia; Mercado, Brandon; Brudvig, Gary; Crabtree, Robert H.","Synthesis of Pyridine-Alkoxide Ligands for Formation of Polynuclear Complexes","New J. Chem.","2017","","","","","10.1039/C7NJ01845B","","","0.71075","MoKα","","0.0774","0.054","","","0.1089","0.117","","","","","","1.06","","","","has coordinates","197762","2020-10-21","18:00:00",""
"7056314","8.4079","0.0002","12.0756","0.0002","19.9987","0.0014","90","","93.505","0.007","90","","2026.68","0.15","93","2","93","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C44 H44 Co2 N6 O6 -","- C44 H44 Co2 N6 O6 -","- C88 H88 Co4 N12 O12 -","2","0.5","","Shopov, Dimitar Yavorov; Sharninghausen, Liam; Sinha, Shashi Bhushan; Borowski, Julia; Mercado, Brandon; Brudvig, Gary; Crabtree, Robert H.","Synthesis of Pyridine-Alkoxide Ligands for Formation of Polynuclear Complexes","New J. Chem.","2017","","","","","10.1039/C7NJ01845B","","","1.54187","CuKα","","0.1063","0.0793","","","0.2055","0.2592","","","","","","1.092","","","","has coordinates","197762","2020-10-21","18:00:00",""
"7056315","32.9393","0.0014","32.2445","0.0014","15.9331","0.0011","90","","94.087","0.007","90","","16879.7","1.6","93","2","93","2","","","","","","","","7","C 1 2/c 1","-C 2yc","15","","","","- C77 H62 B F24 Mn3 N6 O8 -","- C77 H62 B F24 Mn3 N6 O8 -","- C616 H496 B8 F192 Mn24 N48 O64 -","8","1","","Shopov, Dimitar Yavorov; Sharninghausen, Liam; Sinha, Shashi Bhushan; Borowski, Julia; Mercado, Brandon; Brudvig, Gary; Crabtree, Robert H.","Synthesis of Pyridine-Alkoxide Ligands for Formation of Polynuclear Complexes","New J. Chem.","2017","","","","","10.1039/C7NJ01845B","","","0.71075","MoKα","","0.1284","0.0951","","","0.1716","0.1843","","","","","","1.168","","","","has coordinates,has disorder","197762","2020-10-21","18:00:00",""
"7056316","13.1202","0.0009","13.8904","0.0002","10.9592","0.0001","90","","104.628","0.007","90","","1932.52","0.15","93","2","93","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","Tripyalk1","","","- C22 H25 N3 O3 -","- C22 H25 N3 O3 -","- C88 H100 N12 O12 -","4","1","","Shopov, Dimitar Yavorov; Sharninghausen, Liam; Sinha, Shashi Bhushan; Borowski, Julia; Mercado, Brandon; Brudvig, Gary; Crabtree, Robert H.","Synthesis of Pyridine-Alkoxide Ligands for Formation of Polynuclear Complexes","New J. Chem.","2017","","","","","10.1039/C7NJ01845B","","","1.54187","CuKα","","0.0514","0.0422","","","0.0971","0.1026","","","","","","1.094","","","","has coordinates","197762","2020-10-21","18:00:00",""
"7056317","16.9892","0.0006","13.5833","0.0005","33.108","0.002","90","","90.462","0.006","90","","7640.1","0.6","93","2","93","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C61 H64 Mn4 N8 O11 -","- C61 H64 Mn4 N8 O11 -","- C244 H256 Mn16 N32 O44 -","4","0.5","","Shopov, Dimitar Yavorov; Sharninghausen, Liam; Sinha, Shashi Bhushan; Borowski, Julia; Mercado, Brandon; Brudvig, Gary; Crabtree, Robert H.","Synthesis of Pyridine-Alkoxide Ligands for Formation of Polynuclear Complexes","New J. Chem.","2017","","","","","10.1039/C7NJ01845B","","","0.71075","MoKα","","0.1713","0.1347","","","0.2513","0.2724","","","","","","1.089","","","","has coordinates","197762","2020-10-21","18:00:00",""
"7056318","10.1205","0.0006","12.7849","0.0008","11.5863","0.0008","90","","96.938","0.007","90","","1488.17","0.17","93","2","93","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C30 H40 Cu2 N4 O8 -","- C30 H40 Cu2 N4 O8 -","- C60 H80 Cu4 N8 O16 -","2","0.5","","Shopov, Dimitar Yavorov; Sharninghausen, Liam; Sinha, Shashi Bhushan; Borowski, Julia; Mercado, Brandon; Brudvig, Gary; Crabtree, Robert H.","Synthesis of Pyridine-Alkoxide Ligands for Formation of Polynuclear Complexes","New J. Chem.","2017","","","","","10.1039/C7NJ01845B","","","0.71075","MoKα","","0.0389","0.0352","","","0.0914","0.0932","","","","","","1.164","","","","has coordinates","197762","2020-10-21","18:00:00",""
"7056319","10.8407","0.0001","15.3854","0.0002","24.009","0.0016","90","","90","","90","","4004.4","0.3","93","2","93","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C22 H27 N3 O4 -","- C22 H27 N3 O4 -","- C176 H216 N24 O32 -","8","1","","Shopov, Dimitar Yavorov; Sharninghausen, Liam; Sinha, Shashi Bhushan; Borowski, Julia; Mercado, Brandon; Brudvig, Gary; Crabtree, Robert H.","Synthesis of Pyridine-Alkoxide Ligands for Formation of Polynuclear Complexes","New J. Chem.","2017","","","","","10.1039/C7NJ01845B","","","1.54187","CuKα","","0.0771","0.0673","","","0.1974","0.2094","","","","","","1.117","","","","has coordinates","197762","2020-10-21","18:00:00",""
"7056320","19.8078","0.0006","15.0917","0.0004","29.829","0.002","90","","96.066","0.007","90","","8867","0.7","93","2","93","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C45 H46 Cl2 Mn2 N6 O6 -","- C45 H46 Cl2 Mn2 N6 O6 -","- C360 H368 Cl16 Mn16 N48 O48 -","8","2","","Shopov, Dimitar Yavorov; Sharninghausen, Liam; Sinha, Shashi Bhushan; Borowski, Julia; Mercado, Brandon; Brudvig, Gary; Crabtree, Robert H.","Synthesis of Pyridine-Alkoxide Ligands for Formation of Polynuclear Complexes","New J. Chem.","2017","","","","","10.1039/C7NJ01845B","","","0.71075","MoKα","","0.1011","0.052","","","0.1054","0.1322","","","","","","1.055","","","","has coordinates","197762","2020-10-21","18:00:00",""
"7056321","23.175","0.004","9.9645","0.0011","16.245","0.002","90","","107.625","0.018","90","","3575.3","0.9","294.1","0.3","294.1","0.3","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C22 H15 N5 O -","- C22 H15 N5 O -","- C176 H120 N40 O8 -","8","1","","Dam, Binoyargha; Patil, Ranjit A.; Ma, Yuan-Ron; Pal, Amarta Kumar","Preparation, characterization and catalytic application of nano-Fe3O4-DOPA-SnO2 having high TON and TOF for non-toxic and sustainable synthesis of dihydroquinazolinone derivatives","New J. Chem.","2017","","","","","10.1039/C7NJ01208J","","","0.71073","MoKα","","0.0958","0.0552","","","0.1072","0.1284","","","","","","1.0743","","","","has coordinates","197763","2020-10-21","18:00:00",""
"7056322","14.3966","0.0017","6.8726","0.0005","17.724","0.002","90","","113.844","0.015","90","","1604","0.3","293.25","0.1","293.25","0.1","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C19 H16 N2 O2 -","- C19 H16 N2 O2 -","- C76 H64 N8 O8 -","4","1","","Dam, Binoyargha; Patil, Ranjit A.; Ma, Yuan-Ron; Pal, Amarta Kumar","Preparation, characterization and catalytic application of nano-Fe3O4-DOPA-SnO2 having high TON and TOF for non-toxic and sustainable synthesis of dihydroquinazolinone derivatives","New J. Chem.","2017","","","","","10.1039/C7NJ01208J","","","0.7107","MoKα","","0.101843","0.071879","","","","0.156951","","","","","","1.07444","","","","has coordinates","197763","2020-10-21","18:00:00",""
"7056323","13.027","0.002","8.884","0.0012","11.4246","0.0017","90","","109.209","0.018","90","","1248.6","0.3","289.84","0.17","289.84","0.17","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C15 H14 N2 O -","- C15 H14 N2 O -","- C60 H56 N8 O4 -","4","1","","Dam, Binoyargha; Patil, Ranjit A.; Ma, Yuan-Ron; Pal, Amarta Kumar","Preparation, characterization and catalytic application of nano-Fe3O4-DOPA-SnO2 having high TON and TOF for non-toxic and sustainable synthesis of dihydroquinazolinone derivatives","New J. Chem.","2017","","","","","10.1039/C7NJ01208J","","","0.7107","MoKα","","0.075829","0.052442","","","","0.153069","","","","","","1.06218","","","","has coordinates","197763","2020-10-21","18:00:00",""
"7056324","7.007","0.0004","17.952","0.002","26.4727","0.0017","90","","90","","90","","3330","0.5","293","2","293","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C19 H19 N3 O -","- C19 H19 N3 O -","- C152 H152 N24 O8 -","8","1","","Kumar, Akshay; Trivedi, Manoj; Yadav, Bhaskaran; Sharma, Raj Kishore; Singh, Gurmeet","Synthetic, Spectral and Structural Studies of a Schiff Base and its Anticorrosive Activity on Mild Steel in H2SO4","New J. Chem.","2017","","","","","10.1039/C7NJ00896A","","","0.71073","MoKα","","0.12","0.0671","","","0.1339","0.1694","","","","","","0.7","","","","has coordinates","197764","2020-10-21","18:00:00",""
"7056325","8.8015","0.0015","10.0257","0.0017","13.876","0.002","74.233","0.003","83.559","0.003","64.292","0.003","1061.7","0.3","150","2","150.15","","","","","","","","","5","P -1","-P 1","2","","","","- C20 H14 N10 Ni O5 -","- C20 H14 N10 Ni O5 -","- C40 H28 N20 Ni2 O10 -","2","1","","Rabelo, Renato; Valdo, Ana Karoline Silva Medanha; Robertson, Craig C.; Thomas, Jim; Stumpf, Humberto Osório; Martins, Felipe Terra; Pedroso, Emerson F.; Julve, Miguel; Lloret, Francesc; Cangussu, Danielle","Metal(II)-assisted hydrolysis of 2,4,6-tris(2-pyrimidyl)-1,3,5-triazine (tpymt): synthesis, crystal structure and magnetic properties of [Co(bpcam)2]ClO4 . dmso . H2O, [Co(bpcam)2]2[Co(NCS)4] . dmso . H2O and [Ni(bpcam)2] . H2O [Hbpcam = bis(2-pyrimidylcarbonyl)amide]","New J. Chem.","2017","","","","","10.1039/C7NJ00526A","","","0.71073","MoKα","","0.0805","0.0535","","","0.1309","0.1478","","","","","","1.015","","","","has coordinates","197796","2020-10-21","18:00:00",""
"7056326","10.1227","0.0002","22.0252","0.0006","12.4721","0.0003","90","","94.198","0.001","90","","2773.25","0.11","296","2","296","2","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C22 H20 Cl Co N10 O10 S -","- C22 H20 Cl Co N10 O10 S -","- C88 H80 Cl4 Co4 N40 O40 S4 -","4","1","","Rabelo, Renato; Valdo, Ana Karoline Silva Medanha; Robertson, Craig C.; Thomas, Jim; Stumpf, Humberto Osório; Martins, Felipe Terra; Pedroso, Emerson F.; Julve, Miguel; Lloret, Francesc; Cangussu, Danielle","Metal(II)-assisted hydrolysis of 2,4,6-tris(2-pyrimidyl)-1,3,5-triazine (tpymt): synthesis, crystal structure and magnetic properties of [Co(bpcam)2]ClO4 . dmso . H2O, [Co(bpcam)2]2[Co(NCS)4] . dmso . H2O and [Ni(bpcam)2] . H2O [Hbpcam = bis(2-pyrimidylcarbonyl)amide]","New J. Chem.","2017","","","","","10.1039/C7NJ00526A","","","0.71073","MoKα","","0.0529","0.0415","","","0.1042","0.1117","","","","","","1.037","","","","has coordinates,has disorder","197796","2020-10-21","18:00:00",""
"7056327","19.5807","0.0005","24.4918","0.0006","14.4619","0.0004","90","","117.886","0.001","90","","6130.1","0.3","293","2","293","2","","","","","","","","6","C 1 c 1","C -2yc","9","","","","- C92 H61 Co6 N48 O20 S10 -","- C92 H61 Co6 N48 O20 S10 -","- C184 H122 Co12 N96 O40 S20 -","2","0.5","","Rabelo, Renato; Valdo, Ana Karoline Silva Medanha; Robertson, Craig C.; Thomas, Jim; Stumpf, Humberto Osório; Martins, Felipe Terra; Pedroso, Emerson F.; Julve, Miguel; Lloret, Francesc; Cangussu, Danielle","Metal(II)-assisted hydrolysis of 2,4,6-tris(2-pyrimidyl)-1,3,5-triazine (tpymt): synthesis, crystal structure and magnetic properties of [Co(bpcam)2]ClO4 . dmso . H2O, [Co(bpcam)2]2[Co(NCS)4] . dmso . H2O and [Ni(bpcam)2] . H2O [Hbpcam = bis(2-pyrimidylcarbonyl)amide]","New J. Chem.","2017","","","","","10.1039/C7NJ00526A","","","0.71073","MoKα","","0.0512","0.0422","","","0.1287","0.144","","","","","","0.677","","","","has coordinates","197796","2020-10-21","18:00:00",""
"7056328","9.9779","0.0004","12.089","0.0005","10.2249","0.0005","90","","90","","90","","1233.36","0.09","150","2","150","2","","","","","","","","6","P c a 21","P 2c -2ac","29","","","","- C2 H18 N2 O10 P2 Zn -","- C2 H18 N2 O10 P2 Zn -","- C8 H72 N8 O40 P8 Zn4 -","4","1","","Vargova, Zuzana; Rostasova, Ingrida; Vilkova, Maria; Gyepes, Robert; Litecka, Miroslava; Kubicek, Vojtech; Imrich, Jan; Lukes, Ivan","Interaction of Zn(II)-cyclen complex with aminomethylphosphonic acid: Original simultaneous potentiometric and 31P NMR data treatment","New J. Chem.","2017","","","","","10.1039/C7NJ00254H","","","0.71073","MoKα","","0.0292","0.0237","","","0.0471","0.0489","","","","","","1.026","","","","has coordinates","197797","2020-10-21","18:00:00",""
"7056329","11.1652","0.0012","11.8584","0.0008","12.0735","0.0011","62.342","0.005","87.199","0.008","74.965","0.007","1362.6","0.2","113.15","","113.15","","","","","","","","","6","P -1","-P 1","2","","","","- C54 H42 Dy2 F12 N4 O10 -","- C54 H42 Dy2 F12 N4 O10 -","- C54 H42 Dy2 F12 N4 O10 -","1","0.5","","Chang, Yi-Xin; Wang, Wen-Min; Zhang, Ru-Xia; Shen, Hai-Yun; Zhou, Xiao-Pu; Wang, Ni-Ni; Cui, Jian-Zhong; Gao, Hong-Ling","Dinuclear Ln(iii) complexes constructed from an 8-hydroxyquinoline Schiff base derivative with different terminal groups show differing slow magnetic relaxation","New J. Chem.","2017","","","","","10.1039/C6NJ04035G","","","0.71073","MoKα","","0.032","0.0293","","","0.0754","0.0762","","","","","","1.008","","","","has coordinates,has disorder","197839","2020-10-21","18:00:00",""
"7056330","11.485","0.003","11.837","0.002","12.232","0.003","94.787","0.001","117.172","0.004","108.494","0.002","1350.6","0.5","113.15","","113.15","","","","","","","","","6","P -1","-P 1","2","","","","- C54 H42 F12 Gd2 N4 O10 -","- C54 H42 F12 Gd2 N4 O10 -","- C54 H42 F12 Gd2 N4 O10 -","1","0.5","","Chang, Yi-Xin; Wang, Wen-Min; Zhang, Ru-Xia; Shen, Hai-Yun; Zhou, Xiao-Pu; Wang, Ni-Ni; Cui, Jian-Zhong; Gao, Hong-Ling","Dinuclear Ln(iii) complexes constructed from an 8-hydroxyquinoline Schiff base derivative with different terminal groups show differing slow magnetic relaxation","New J. Chem.","2017","","","","","10.1039/C6NJ04035G","","","0.71073","MoKα","","0.0204","0.0189","","","0.0507","0.0512","","","","","","1.06","","","","has coordinates,has disorder","197839","2020-10-21","18:00:00",""
"7056331","11.162","0.004","11.852","0.002","12.135","0.003","61.644","0.019","87.4","0.03","75.41","0.03","1362","0.7","113.15","","113.15","","","","","","","","","6","P -1","-P 1","2","","","","- C54 H42 F12 N4 O10 Tb2 -","- C54 H42 F12 N4 O10 Tb2 -","- C54 H42 F12 N4 O10 Tb2 -","1","0.5","","Chang, Yi-Xin; Wang, Wen-Min; Zhang, Ru-Xia; Shen, Hai-Yun; Zhou, Xiao-Pu; Wang, Ni-Ni; Cui, Jian-Zhong; Gao, Hong-Ling","Dinuclear Ln(iii) complexes constructed from an 8-hydroxyquinoline Schiff base derivative with different terminal groups show differing slow magnetic relaxation","New J. Chem.","2017","","","","","10.1039/C6NJ04035G","","","0.71073","MoKα","","0.0881","0.0804","","","0.1963","0.2032","","","","","","1.062","","","","has coordinates,has disorder","197839","2020-10-21","18:00:00",""
"7056332","12.3847","0.0011","22.1376","0.0017","11.3751","0.001","90","","114.766","0.002","90","","2831.8","0.4","113.15","","113.15","","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C56 H46 F12 Gd2 N4 O10 -","- C56 H40.018 F11.994 Gd2 N4 O10 -","- C112 H80.036 F23.988 Gd4 N8 O20 -","2","0.5","","Chang, Yi-Xin; Wang, Wen-Min; Zhang, Ru-Xia; Shen, Hai-Yun; Zhou, Xiao-Pu; Wang, Ni-Ni; Cui, Jian-Zhong; Gao, Hong-Ling","Dinuclear Ln(iii) complexes constructed from an 8-hydroxyquinoline Schiff base derivative with different terminal groups show differing slow magnetic relaxation","New J. Chem.","2017","","","","","10.1039/C6NJ04035G","","","0.71075","MoKα","","0.0713","0.0685","","","0.1517","0.1525","","","","","","1.465","","","","has coordinates,has disorder","197839","2020-10-21","18:00:00",""
"7056333","12.2757","0.0011","22.0146","0.0018","11.4203","0.0011","90","","114.753","0.002","90","","2802.7","0.4","113.15","","113.15","","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C56 H46 Er2 F12 N4 O10 -","- C56 H40.342 Er2 F11.994 N4 O10 -","- C112 H80.684 Er4 F23.988 N8 O20 -","2","0.5","","Chang, Yi-Xin; Wang, Wen-Min; Zhang, Ru-Xia; Shen, Hai-Yun; Zhou, Xiao-Pu; Wang, Ni-Ni; Cui, Jian-Zhong; Gao, Hong-Ling","Dinuclear Ln(iii) complexes constructed from an 8-hydroxyquinoline Schiff base derivative with different terminal groups show differing slow magnetic relaxation","New J. Chem.","2017","","","","","10.1039/C6NJ04035G","","","0.71073","MoKα","","0.0559","0.0494","","","0.1032","0.1048","","","","","","1.441","","","","has coordinates,has disorder","197839","2020-10-21","18:00:00",""
"7056334","11.174","0.003","11.8895","0.0013","12.008","0.003","62.77","0.02","87.11","0.03","74.71","0.03","1363.7","0.6","113.15","","113.15","","","","","","","","","6","P -1","-P 1","2","","","","- C54 H42 F12 Ho2 N4 O10 -","- C54 H42 F12 Ho2 N4 O10 -","- C54 H42 F12 Ho2 N4 O10 -","1","0.5","","Chang, Yi-Xin; Wang, Wen-Min; Zhang, Ru-Xia; Shen, Hai-Yun; Zhou, Xiao-Pu; Wang, Ni-Ni; Cui, Jian-Zhong; Gao, Hong-Ling","Dinuclear Ln(iii) complexes constructed from an 8-hydroxyquinoline Schiff base derivative with different terminal groups show differing slow magnetic relaxation","New J. Chem.","2017","","","","","10.1039/C6NJ04035G","","","0.71073","MoKα","","0.0585","0.055","","","0.1531","0.155","","","","","","1.115","","","","has coordinates,has disorder","197839","2020-10-21","18:00:00",""
"7056335","12.448","0.009","22.405","0.012","11.522","0.008","90","","114.509","0.012","90","","2924","3","113.15","","113.15","","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C56 H46 F12 Ho2 N4 O10 -","- C56 H40.378 F12.006 Ho2 N4 O10 -","- C112 H80.756 F24.012 Ho4 N8 O20 -","2","0.5","","Chang, Yi-Xin; Wang, Wen-Min; Zhang, Ru-Xia; Shen, Hai-Yun; Zhou, Xiao-Pu; Wang, Ni-Ni; Cui, Jian-Zhong; Gao, Hong-Ling","Dinuclear Ln(iii) complexes constructed from an 8-hydroxyquinoline Schiff base derivative with different terminal groups show differing slow magnetic relaxation","New J. Chem.","2017","","","","","10.1039/C6NJ04035G","","","0.71075","MoKα","","0.0762","0.0736","","","0.1589","0.1598","","","","","","1.464","","","","has coordinates,has disorder","197839","2020-10-21","18:00:00",""
"7056336","11.5","0.004","11.839","0.003","12.251","0.004","94.77","0.003","117.275","0.005","108.496","0.004","1353.3","0.7","113.15","","113.15","","","","","","","","","6","P -1","-P 1","2","","","","- C54 H42 Er2 F12 N4 O10 -","- C54 H42 Er2 F12 N4 O10 -","- C54 H42 Er2 F12 N4 O10 -","1","0.5","","Chang, Yi-Xin; Wang, Wen-Min; Zhang, Ru-Xia; Shen, Hai-Yun; Zhou, Xiao-Pu; Wang, Ni-Ni; Cui, Jian-Zhong; Gao, Hong-Ling","Dinuclear Ln(iii) complexes constructed from an 8-hydroxyquinoline Schiff base derivative with different terminal groups show differing slow magnetic relaxation","New J. Chem.","2017","","","","","10.1039/C6NJ04035G","","","0.71073","MoKα","","0.0316","0.0279","","","0.0788","0.0802","","","","","","1.08","","","","has coordinates,has disorder","197839","2020-10-21","18:00:00",""
"7056337","12.3438","0.0011","22.112","0.0018","11.3848","0.001","90","","114.721","0.001","90","","2822.7","0.4","113.15","","113.15","","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C56 H46 F12 N4 O10 Tb2 -","- C56 H40.162 F12.006 N4 O10 Tb2 -","- C112 H80.324 F24.012 N8 O20 Tb4 -","2","0.5","","Chang, Yi-Xin; Wang, Wen-Min; Zhang, Ru-Xia; Shen, Hai-Yun; Zhou, Xiao-Pu; Wang, Ni-Ni; Cui, Jian-Zhong; Gao, Hong-Ling","Dinuclear Ln(iii) complexes constructed from an 8-hydroxyquinoline Schiff base derivative with different terminal groups show differing slow magnetic relaxation","New J. Chem.","2017","","","","","10.1039/C6NJ04035G","","","0.71075","MoKα","","0.0724","0.0699","","","0.1572","0.158","","","","","","1.482","","","","has coordinates,has disorder","197839","2020-10-21","18:00:00",""
"7056338","12.287","0.003","22.05","0.004","11.404","0.002","90","","114.696","0.004","90","","2807.1","1","113.15","","113.15","","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C56 H46 Dy2 F12 N4 O10 -","- C56 H40.366 Dy2 F12.006 N4 O10 -","- C112 H80.732 Dy4 F24.012 N8 O20 -","2","0.5","","Chang, Yi-Xin; Wang, Wen-Min; Zhang, Ru-Xia; Shen, Hai-Yun; Zhou, Xiao-Pu; Wang, Ni-Ni; Cui, Jian-Zhong; Gao, Hong-Ling","Dinuclear Ln(iii) complexes constructed from an 8-hydroxyquinoline Schiff base derivative with different terminal groups show differing slow magnetic relaxation","New J. Chem.","2017","","","","","10.1039/C6NJ04035G","","","0.71075","MoKα","","0.0888","0.0871","","","0.2012","0.2017","","","","","","1.475","","","","has coordinates,has disorder","197839","2020-10-21","18:00:00",""
"7056339","6.7095","0.0002","10.9295","0.0003","19.5603","0.0006","90","","90","","90","","1434.39","0.07","150","2","150","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C6 H9 K N14 O2 -","- C6 H9 K N14 O2 -","- C24 H36 K4 N56 O8 -","4","1","","Safin, Damir A.; Railliet, Antoine P.; Robeyns, Koen; Mitoraj, Mariusz P.; Kubisiak, Piotr; Sagan, Filip; Garcia, Yann","Complexes and salts of the nitrogen-rich triazole‒tetrazole hybrid ligand with alkali and alkaline earth metal cations: experimental and theoretical findings","New J. Chem.","2017","","","","","10.1039/C7NJ01391D","","","0.71073","MoKα","","0.0359","0.0325","","","0.0803","0.0829","","","","","","1.032","","","","has coordinates","197840","2020-10-21","18:00:00",""
"7056340","6.7069","0.0004","20.1149","0.0008","6.7238","0.0004","90","","110.85","0.007","90","","847.7","0.09","150","2","150","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C6 H16 Mg N14 O6 -","- C6 H16 Mg N14 O6 -","- C12 H32 Mg2 N28 O12 -","2","0.5","","Safin, Damir A.; Railliet, Antoine P.; Robeyns, Koen; Mitoraj, Mariusz P.; Kubisiak, Piotr; Sagan, Filip; Garcia, Yann","Complexes and salts of the nitrogen-rich triazole‒tetrazole hybrid ligand with alkali and alkaline earth metal cations: experimental and theoretical findings","New J. Chem.","2017","","","","","10.1039/C7NJ01391D","","","0.71073","MoKα","","0.0429","0.035","","","0.084","0.0877","","","","","","1.073","","","","has coordinates","197840","2020-10-21","18:00:00",""
"7056341","12.994","0.0005","10.8427","0.0003","12.8458","0.0005","90","","119.421","0.005","90","","1576.44","0.12","150","2","150","2","","","","","","","","5","I 1 2/a 1","-I 2ya","15","","","","- C3 H6 N7 Na O2 -","- C3 H6 N7 Na O2 -","- C24 H48 N56 Na8 O16 -","8","1","","Safin, Damir A.; Railliet, Antoine P.; Robeyns, Koen; Mitoraj, Mariusz P.; Kubisiak, Piotr; Sagan, Filip; Garcia, Yann","Complexes and salts of the nitrogen-rich triazole‒tetrazole hybrid ligand with alkali and alkaline earth metal cations: experimental and theoretical findings","New J. Chem.","2017","","","","","10.1039/C7NJ01391D","","","0.71073","MoKα","","0.0296","0.028","","","0.0748","0.0761","","","","","","1.051","","","","has coordinates","197840","2020-10-21","18:00:00",""
"7056342","21.5345","0.0006","6.5665","0.0001","15.7124","0.0004","90","","123.301","0.002","90","","1857","0.09","150","2","150","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C6 H20 Ca N14 O8 -","- C6 H20 Ca N14 O8 -","- C24 H80 Ca4 N56 O32 -","4","0.5","","Safin, Damir A.; Railliet, Antoine P.; Robeyns, Koen; Mitoraj, Mariusz P.; Kubisiak, Piotr; Sagan, Filip; Garcia, Yann","Complexes and salts of the nitrogen-rich triazole‒tetrazole hybrid ligand with alkali and alkaline earth metal cations: experimental and theoretical findings","New J. Chem.","2017","","","","","10.1039/C7NJ01391D","","","0.71073","MoKα","","0.029","0.0267","","","0.0693","0.0706","","","","","","1.095","","","","has coordinates","197840","2020-10-21","18:00:00",""
"7056343","3.4344","0.0008","9.898","0.002","10.611","0.003","115.93","0.03","92.17","0.02","98.473","0.02","318.72","0.16","150","2","150","2","","","","","","","","5","P -1","-P 1","2","","","","- C3 H4 Li N7 O -","- C3 H4 Li N7 O -","- C6 H8 Li2 N14 O2 -","2","1","","Safin, Damir A.; Railliet, Antoine P.; Robeyns, Koen; Mitoraj, Mariusz P.; Kubisiak, Piotr; Sagan, Filip; Garcia, Yann","Complexes and salts of the nitrogen-rich triazole‒tetrazole hybrid ligand with alkali and alkaline earth metal cations: experimental and theoretical findings","New J. Chem.","2017","","","","","10.1039/C7NJ01391D","","","0.71073","MoKα","","0.1052","0.0925","","","0.2398","0.2577","","","","","","1.063","","","","has coordinates","197840","2020-10-21","18:00:00",""
"7056344","6.57661","0.00007","10.74411","0.00011","22.3441","0.0003","90","","92.5542","0.001","90","","1577.26","0.03","150","2","150","2","","","","","","","","5","P 1 2/n 1","-P 2yac","13","","","","- C12 H26 Ba2 N28 O9 -","- C12 H26 Ba2 N28 O9 -","- C24 H52 Ba4 N56 O18 -","2","0.5","","Safin, Damir A.; Railliet, Antoine P.; Robeyns, Koen; Mitoraj, Mariusz P.; Kubisiak, Piotr; Sagan, Filip; Garcia, Yann","Complexes and salts of the nitrogen-rich triazole‒tetrazole hybrid ligand with alkali and alkaline earth metal cations: experimental and theoretical findings","New J. Chem.","2017","","","","","10.1039/C7NJ01391D","","","0.71073","MoKα","","0.0276","0.027","","","0.0696","0.0701","","","","","","1.184","","","","has coordinates","197840","2020-10-21","18:00:00",""
"7056345","9.6685","0.0004","9.6685","0.0004","27.3428","0.0007","90","","90","","120","","2213.56","0.14","150","2","150.01","0.1","","","","","","","","5","P 31 2 1","P 31 2""","152","","","","- C34 H28 Fe2 N6 O5 -","- C34 H28 Fe2 N6 O5 -","- C102 H84 Fe6 N18 O15 -","3","0.5","","Yadav, Reena; SINGH, AMITA; Kociok-Kohn, Gabriele; Chauhan, Ratna; Kumar, Abhinav; Gosavi, Suresh W.","Ferrocenyl Benzimidazole with Carboxylic and Nitro Anchors as Potential Sensitizers in Dye-Sensitized Solar Cells","New J. Chem.","2017","","","","","10.1039/C7NJ01464C","","x-ray","0.71073","MoKα","","0.1043","0.0686","","","0.1579","0.1747","","","","","","1.054","","","","has coordinates","198024","2020-10-21","18:00:00",""
"7056346","6.9737","0.0005","10.1021","0.0007","10.3328","0.0007","66.047","0.002","73.622","0.002","73.682","0.002","626.64","0.08","110","2","110","2","","","","","","","","6","P -1","-P 1","2","S116","","","- C22 H27 Cl3 Mn N2 O7 -","- C22 H27 Cl3 Mn N2 O7 -","- C22 H27 Cl3 Mn N2 O7 -","1","0.5","","Chattopadhyay, Shouvik; Sarkar, Nandita; Harms, Klaus; Frontera, Antonio","The importance of unconventional C‒H•••π(SCN) interactions in stabilizing the unexpected syn/anti arrangement of pendant alkoxy side arms in two manganese(IV) Schiff base complexes: Exploration of catechol oxidase and phenoxazinone synthase like activities","New J. Chem.","2017","","","","","10.1039/C7NJ00766C","","","0.71073","MoKα","","0.058","0.0556","","","0.1355","0.1363","","","","","","1.429","","","","has coordinates,has disorder","198066","2020-10-21","18:00:00",""
"7056347","10.7379","0.0005","14.9326","0.0007","18.4749","0.0009","90","","105.857","0.002","90","","2849.6","0.2","110","2","110","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","S113","","","- C27 H35 Mn N3 O8 S -","- C27 H35 Mn N3 O8 S -","- C108 H140 Mn4 N12 O32 S4 -","4","1","","Chattopadhyay, Shouvik; Sarkar, Nandita; Harms, Klaus; Frontera, Antonio","The importance of unconventional C‒H•••π(SCN) interactions in stabilizing the unexpected syn/anti arrangement of pendant alkoxy side arms in two manganese(IV) Schiff base complexes: Exploration of catechol oxidase and phenoxazinone synthase like activities","New J. Chem.","2017","","","","","10.1039/C7NJ00766C","","","0.71073","MoKα","","0.0771","0.0678","","","0.1364","0.1404","","","","","","1.138","","","","has coordinates,has disorder","198066","2020-10-21","18:00:00",""
"7056348","10.5079","0.0003","12.9149","0.0004","19.0193","0.0007","90","","104.295","0.004","90","","2501.16","0.15","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C20 H28 Cl2 N8 Pt -","- C20 H28 Cl2 N8 Pt -","- C80 H112 Cl8 N32 Pt4 -","4","1","","Łakomska, Iwona; babinska, magdalena; Wojtczak, Andrzej; Kozakiewicz, Anna; Sitkowski, Jerzy; Jarzecki, Andrzej A.","Experimental and theoretical investigation of the complexation of 5-methyl-7-isobutyl-1,2,4-triazolo[1,5-a]pyrimidine by platinum(II) ion","New J. Chem.","2017","","","","","10.1039/C7NJ01112A","","","0.71073","MoKα","","0.0387","0.0244","","","0.0469","0.0488","","","","","","0.946","","","","has coordinates","198067","2020-10-21","18:00:00",""
"7056349","13.0528","0.0004","10.3031","0.0003","13.9763","0.0004","90","","99.763","0.003","90","","1852.37","0.1","293","2","293","2","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C12 H20 Cl2 N4 O Pt S -","- C12 H20 Cl2 N4 O Pt S -","- C48 H80 Cl8 N16 O4 Pt4 S4 -","4","1","","Łakomska, Iwona; babinska, magdalena; Wojtczak, Andrzej; Kozakiewicz, Anna; Sitkowski, Jerzy; Jarzecki, Andrzej A.","Experimental and theoretical investigation of the complexation of 5-methyl-7-isobutyl-1,2,4-triazolo[1,5-a]pyrimidine by platinum(II) ion","New J. Chem.","2017","","","","","10.1039/C7NJ01112A","","","0.71073","MoKα","","0.049","0.0351","","","0.0897","0.0927","","","","","","1.044","","","","has coordinates","198067","2020-10-21","18:00:00",""
"7056350","13.983","0.004","7.6739","0.0011","15.073","0.004","90","","116.36","0.04","90","","1449.2","0.8","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C10 H17 Cl2 N5 Pt -","- C10 H17 Cl2 N5 Pt -","- C40 H68 Cl8 N20 Pt4 -","4","1","","Łakomska, Iwona; babinska, magdalena; Wojtczak, Andrzej; Kozakiewicz, Anna; Sitkowski, Jerzy; Jarzecki, Andrzej A.","Experimental and theoretical investigation of the complexation of 5-methyl-7-isobutyl-1,2,4-triazolo[1,5-a]pyrimidine by platinum(II) ion","New J. Chem.","2017","","","","","10.1039/C7NJ01112A","","","0.71073","MoKα","","0.1176","0.0766","","","0.1946","0.213","","","","","","1.041","","","","has coordinates","198067","2020-10-21","18:00:00",""
"7056351","11.469","0.004","9.506","0.001","19.52","0.006","90","","90","","90","","2128.2","1","293","2","293","2","","","","","","","","3","P b c a","-P 2ac 2ab","61","","","","- C10 H14 N4 -","- C10 H14 N4 -","- C80 H112 N32 -","8","1","","Łakomska, Iwona; babinska, magdalena; Wojtczak, Andrzej; Kozakiewicz, Anna; Sitkowski, Jerzy; Jarzecki, Andrzej A.","Experimental and theoretical investigation of the complexation of 5-methyl-7-isobutyl-1,2,4-triazolo[1,5-a]pyrimidine by platinum(II) ion","New J. Chem.","2017","","","","","10.1039/C7NJ01112A","","","0.71073","MoKα","","0.1066","0.0708","","","0.2051","0.233","","","","","","1.044","","","","has coordinates","198067","2020-10-21","18:00:00",""
"7056352","12.7474","0.0013","16.9894","0.0018","16.8809","0.0018","90","","102.817","0.001","90","","3564.8","0.6","293","2","293.15","","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C24 H51 N4 Nd O Si4 -","- C24 H51 N4 Nd O Si4 -","- C96 H204 N16 Nd4 O4 Si16 -","4","1","","Gu, Xiaoxia; Wang, Shaowu; Wei, Yun; Zhu, Xiancui; Zhou, Shuangliu; Huang, Zeming; Mu, Xiaolong","Rare earth metal bisamido complexes with a NNO tridentate ligand and catalytic activity for selective polymerization of isoprene","New J. Chem.","2017","","","","","10.1039/C7NJ01454F","","","0.71073","MoKα","","0.0522","0.0418","","","0.1077","0.1158","","","","","","1.04","","","","has coordinates","198108","2020-10-21","18:00:00",""
"7056353","9.4869","0.0007","19.017","0.0014","19.2467","0.0014","90","","90","","90","","3472.3","0.4","293","2","293.15","","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C24 H51 N4 O Si4 Yb -","- C24 H51 N4 O Si4 Yb -","- C96 H204 N16 O4 Si16 Yb4 -","4","1","","Gu, Xiaoxia; Wang, Shaowu; Wei, Yun; Zhu, Xiancui; Zhou, Shuangliu; Huang, Zeming; Mu, Xiaolong","Rare earth metal bisamido complexes with a NNO tridentate ligand and catalytic activity for selective polymerization of isoprene","New J. Chem.","2017","","","","","10.1039/C7NJ01454F","","","0.71073","MoKα","","0.0668","0.0616","","","0.1448","0.1503","","","","","","1.059","","","","has coordinates,has disorder","198108","2020-10-21","18:00:00",""
"7056354","9.5148","0.0009","19.1828","0.0018","19.1886","0.0018","90","","90","","90","","3502.3","0.6","293","2","293.15","","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C24 H51 Dy N4 O Si4 -","- C24 H51 Dy N4 O Si4 -","- C96 H204 Dy4 N16 O4 Si16 -","4","1","","Gu, Xiaoxia; Wang, Shaowu; Wei, Yun; Zhu, Xiancui; Zhou, Shuangliu; Huang, Zeming; Mu, Xiaolong","Rare earth metal bisamido complexes with a NNO tridentate ligand and catalytic activity for selective polymerization of isoprene","New J. Chem.","2017","","","","","10.1039/C7NJ01454F","","","0.71073","MoKα","","0.0472","0.0439","","","0.1116","0.1145","","","","","","1.112","","","","has coordinates","198108","2020-10-21","18:00:00",""
"7056355","12.7324","0.0009","16.9061","0.0011","16.9308","0.0012","90","","102.417","0.001","90","","3559.2","0.4","293","2","293.15","","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C24 H51 N4 O Si4 Sm -","- C24 H51 N4 O Si4 Sm -","- C96 H204 N16 O4 Si16 Sm4 -","4","1","","Gu, Xiaoxia; Wang, Shaowu; Wei, Yun; Zhu, Xiancui; Zhou, Shuangliu; Huang, Zeming; Mu, Xiaolong","Rare earth metal bisamido complexes with a NNO tridentate ligand and catalytic activity for selective polymerization of isoprene","New J. Chem.","2017","","","","","10.1039/C7NJ01454F","","","0.71073","MoKα","","0.0363","0.028","","","0.0616","0.0671","","","","","","1.009","","","","has coordinates,has disorder","198108","2020-10-21","18:00:00",""
"7056356","10.9219","0.001","18.945","0.0017","16.7845","0.0015","90","","93.955","0.001","90","","3464.7","0.5","293","2","293.15","","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C24 H51 N4 O Si4 Y -","- C24 H51 N4 O Si4 Y -","- C96 H204 N16 O4 Si16 Y4 -","4","1","","Gu, Xiaoxia; Wang, Shaowu; Wei, Yun; Zhu, Xiancui; Zhou, Shuangliu; Huang, Zeming; Mu, Xiaolong","Rare earth metal bisamido complexes with a NNO tridentate ligand and catalytic activity for selective polymerization of isoprene","New J. Chem.","2017","","","","","10.1039/C7NJ01454F","","","0.71073","MoKα","","0.0989","0.0449","","","0.0859","0.1022","","","","","","1.001","","","","has coordinates","198108","2020-10-21","18:00:00",""
"7056357","9.5144","0.0008","19.1019","0.0016","19.2125","0.0016","90","","90","","90","","3491.7","0.5","293","2","293.15","","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C24 H51 Er N4 O Si4 -","- C24 H51 Er N4 O Si4 -","- C96 H204 Er4 N16 O4 Si16 -","4","1","","Gu, Xiaoxia; Wang, Shaowu; Wei, Yun; Zhu, Xiancui; Zhou, Shuangliu; Huang, Zeming; Mu, Xiaolong","Rare earth metal bisamido complexes with a NNO tridentate ligand and catalytic activity for selective polymerization of isoprene","New J. Chem.","2017","","","","","10.1039/C7NJ01454F","","","0.71073","MoKα","","0.0302","0.0255","","","0.0558","0.0576","","","","","","1.037","","","","has coordinates","198108","2020-10-21","18:00:00",""
"7056358","16.8027","0.0016","12.4348","0.0012","17.2821","0.0016","90","","101.284","0.001","90","","3541.1","0.6","293","2","293.15","","","","","","","","","6","P 1 2/c 1","-P 2yc","13","","","","- C24 H51 Gd N4 O Si4 -","- C24 H51 Gd N4 O Si4 -","- C96 H204 Gd4 N16 O4 Si16 -","4","1","","Gu, Xiaoxia; Wang, Shaowu; Wei, Yun; Zhu, Xiancui; Zhou, Shuangliu; Huang, Zeming; Mu, Xiaolong","Rare earth metal bisamido complexes with a NNO tridentate ligand and catalytic activity for selective polymerization of isoprene","New J. Chem.","2017","","","","","10.1039/C7NJ01454F","","","0.71073","MoKα","","0.0343","0.0245","","","0.0557","0.0593","","","","","","1.052","","","","has coordinates,has disorder","198108","2020-10-21","18:00:00",""
"7056359","15.7192","0.0013","15.7192","0.0013","15.4669","0.0019","90","","90","","120","","3309.7","0.6","173","2","173","2","","","","","","","","6","P 63","P 6c","173","","","","- C71 H51 Cu4 I4 N7 O6 -","- C71 H50.9997 Cu4 I4 N7 O6 -","- C142 H101.999 Cu8 I8 N14 O12 -","2","0.333333","","razali, mohd rizal; Zhan, Shun-Ze; Tai Wei, Chan","Solvent-mediated single-crystal-to-single-crystal transformation from dimeric to tetrameric copper(I) complex based on a substituted pyridine derived from the Diels-Alder adduct","New J. Chem.","2017","","","","","10.1039/C7NJ01552F","","","0.71073","MoKα","","0.0808","0.0579","","","0.1061","0.1165","","","","","","1.031","","","","has coordinates","198109","2020-10-21","18:00:00",""
"7056360","17.5818","0.0006","12.0417","0.0004","8.0384","0.0003","90","","99.013","0.001","90","","1680.83","0.1","173","2","173","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C23 H16 N2 O2 -","- C23 H16 N2 O2 -","- C92 H64 N8 O8 -","4","1","","razali, mohd rizal; Zhan, Shun-Ze; Tai Wei, Chan","Solvent-mediated single-crystal-to-single-crystal transformation from dimeric to tetrameric copper(I) complex based on a substituted pyridine derived from the Diels-Alder adduct","New J. Chem.","2017","","","","","10.1039/C7NJ01552F","","","0.71073","MoKα","","0.055","0.0449","","","0.1182","0.1297","","","","","","1.038","","","","has coordinates","198109","2020-10-21","18:00:00",""
"7056361","16.5376","0.0018","7.735","0.0007","34.802","0.003","90","","97.83","0.003","90","","4410.3","0.7","173","2","173","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C50 H38 Cu2 I2 N6 O4 -","- C50 H38 Cu2 I2 N6 O4 -","- C200 H152 Cu8 I8 N24 O16 -","4","0.5","","razali, mohd rizal; Zhan, Shun-Ze; Tai Wei, Chan","Solvent-mediated single-crystal-to-single-crystal transformation from dimeric to tetrameric copper(I) complex based on a substituted pyridine derived from the Diels-Alder adduct","New J. Chem.","2017","","","","","10.1039/C7NJ01552F","","","0.71073","MoKα","","0.0595","0.0534","","","0.1092","0.1116","","","","","","1.195","","","","has coordinates","198109","2020-10-21","18:00:00",""
"7056362","15.086","0.004","17.048","0.004","17.876","0.008","103.16","0.005","110.463","0.006","107.684","0.004","3806","2","173","2","173","2","","","","","","","","6","P -1","-P 1","2","","","","- C55 H88 Ca2 Cl4 N20 O21 -","- C55 H70 Ca2 Cl4 N20 O21 -","- C110 H140 Ca4 Cl8 N40 O42 -","2","1","","Wu, Yufan; Xu, Lixi; Shen, Yenan; Wang, Yang; Wang, Qiaochun","Helianthus-like Cucurbit[4]uril and Cucurbit[5]uril analogues","New J. Chem.","2017","","","","","10.1039/C7NJ01595J","","","0.71073","MoKα","","0.1471","0.1187","","","0.3621","0.3927","","","","","","1.483","","","","has coordinates","198110","2020-10-21","18:00:00",""
"7056363","12.666","0.001","20.7418","0.0016","11.672","0.0009","90","","111.646","0.001","90","","2850.2","0.4","203","2","203","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C44 H76 Ca2 Cl4 N16 O18 -","- C44 H76 Ca2 Cl4 N16 O18 -","- C88 H152 Ca4 Cl8 N32 O36 -","2","0.5","","Wu, Yufan; Xu, Lixi; Shen, Yenan; Wang, Yang; Wang, Qiaochun","Helianthus-like Cucurbit[4]uril and Cucurbit[5]uril analogues","New J. Chem.","2017","","","","","10.1039/C7NJ01595J","","","0.71073","MoKα","","0.0533","0.0437","","","0.1323","0.1461","","","","","","1.068","","","","has coordinates,has disorder","198110","2020-10-21","18:00:00",""
"7056364","9.5043","0.0011","11.142","0.0011","12.986","0.0014","109.453","0.007","103.185","0.009","92.637","0.008","1251.3","0.2","296","2","296","2","","","","","","","","4","P -1","-P 1","2","","","","- C28 H32 N4 O4 -","- C28 H32 N4 O4 -","- C56 H64 N8 O8 -","2","1","","Chattopadhyay, Pabitra; Maji, Abhishek; Pal, Siddhartha; Lohar, Somenath; Mukhopadhyay, Subhra Kanti","A new turn-on benzimidazole based greenish-yellow fluorescent sensor for Zn2+ ion at biological pH applicable in cell imaging","New J. Chem.","2017","","","","","10.1039/C7NJ01821E","","","0.71073","MoKα","","0.1391","0.0608","","","0.1507","0.2166","","","","","","1","","","","has coordinates","198111","2020-10-21","18:00:00",""
"7056365","18.5957","0.0005","14.4379","0.0004","8.6771","0.0002","90","","112.451","0.001","90","","2153.08","0.1","150","2","150","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C12 H14 N8 O11 Ru2 -","- C12 H14 N8 O11 Ru2 -","- C48 H56 N32 O44 Ru8 -","4","0.5","","Kostin, Gennadiy; Mikhailov, Artem Alexandrovich; Kuratieva, Natalia; Pishchur, Denis P.; Zharkov, Dmitry O.; Grin, Inga Rostislavovna","Influence of pyridine-like ligands on the structure, photochemical and biological properties of nitro-nitrosyl ruthenium complexes.","New J. Chem.","2017","","","","","10.1039/C7NJ01602F","","","0.71073","MoKα","","0.0327","0.023","","","0.0492","0.0511","","","","","","1.025","","","","has coordinates","198112","2020-10-21","18:00:00",""
"7056366","9.4624","0.0003","9.9201","0.0003","17.3772","0.0005","90","","94.292","0.001","90","","1626.59","0.09","80","2","80","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C12 H15 N5 O6 Ru -","- C12 H15 N5 O6 Ru -","- C48 H60 N20 O24 Ru4 -","4","1","","Kostin, Gennadiy; Mikhailov, Artem Alexandrovich; Kuratieva, Natalia; Pishchur, Denis P.; Zharkov, Dmitry O.; Grin, Inga Rostislavovna","Influence of pyridine-like ligands on the structure, photochemical and biological properties of nitro-nitrosyl ruthenium complexes.","New J. Chem.","2017","","","","","10.1039/C7NJ01602F","","","0.71073","MoKα","","0.0194","0.0184","","","0.0465","0.047","","","","","","1.073","","","","has coordinates,has disorder","198112","2020-10-21","18:00:00",""
"7056367","28.1411","0.001","9.5372","0.0003","13.4951","0.0005","90","","116.104","0.001","90","","3252.5","0.2","150","2","150","2","","","","","","","","5","C 1 c 1","C -2yc","9","","","","- C12 H15 N5 O6 Ru -","- C12 H15 N5 O6 Ru -","- C96 H120 N40 O48 Ru8 -","8","2","","Kostin, Gennadiy; Mikhailov, Artem Alexandrovich; Kuratieva, Natalia; Pishchur, Denis P.; Zharkov, Dmitry O.; Grin, Inga Rostislavovna","Influence of pyridine-like ligands on the structure, photochemical and biological properties of nitro-nitrosyl ruthenium complexes.","New J. Chem.","2017","","","","","10.1039/C7NJ01602F","","","0.71073","MoKα","","0.0263","0.0253","","","0.0647","0.0652","","","","","","1.037","","","","has coordinates","198112","2020-10-21","18:00:00",""
"7056368","9.459","0.0002","9.9164","0.0003","17.3619","0.0005","90","","94.27","0.001","90","","1624.01","0.08","80","2","80","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C12 H15 N5 O6 Ru -","- C12 H15 N5 O6 Ru -","- C48 H60 N20 O24 Ru4 -","4","1","","Kostin, Gennadiy; Mikhailov, Artem Alexandrovich; Kuratieva, Natalia; Pishchur, Denis P.; Zharkov, Dmitry O.; Grin, Inga Rostislavovna","Influence of pyridine-like ligands on the structure, photochemical and biological properties of nitro-nitrosyl ruthenium complexes.","New J. Chem.","2017","","","","","10.1039/C7NJ01602F","","","0.71073","MoKα","","0.0192","0.0182","","","0.0457","0.0462","","","","","","1.041","","","","has coordinates","198112","2020-10-21","18:00:00",""
"7056369","9.7379","0.001","10.3204","0.0012","20.607","0.002","90","","90.386","0.003","90","","2070.9","0.4","150","2","150","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C13 H17 Cl2 N5 O6 Ru -","- C13 H17 Cl2 N5 O6 Ru -","- C52 H68 Cl8 N20 O24 Ru4 -","4","1","","Kostin, Gennadiy; Mikhailov, Artem Alexandrovich; Kuratieva, Natalia; Pishchur, Denis P.; Zharkov, Dmitry O.; Grin, Inga Rostislavovna","Influence of pyridine-like ligands on the structure, photochemical and biological properties of nitro-nitrosyl ruthenium complexes.","New J. Chem.","2017","","","","","10.1039/C7NJ01602F","","","0.71073","MoKα","","0.0541","0.0461","","","0.1438","0.1544","","","","","","1.192","","","","has coordinates,has disorder","198112","2020-10-21","18:00:00",""
"7056370","16.2703","0.0006","10.6913","0.0004","16.8761","0.0005","90","","90","","90","","2935.61","0.18","150","2","150","2","","","","","","","","6","P c c a","-P 2a 2ac","54","","","","- C24 H22 Cl2 N12 O4 Pd2 -","- C24 H22 Cl2 N12 O4 Pd2 -","- C96 H88 Cl8 N48 O16 Pd8 -","4","0.5","","Patra, Shanti G.; Shee, Nirmal K.; Drew, Michael G. B.; Datta, Dipankar","Palladium(II)-palladium(II) bonding in two open clamshell dinuclear complexes","New J. Chem.","2017","","","","","10.1039/C7NJ01604B","","","0.71073","MoKα","","0.0778","0.0432","","","0.079","0.0933","","","","","","1.019","","","","has coordinates","198130","2020-10-21","18:00:00",""
"7056371","10.5484","0.0016","11.4088","0.0014","13.033","0.002","66.797","0.015","67.828","0.015","89.922","0.011","1314.8","0.4","150","2","150","2","","","","","","","","6","P 1","P 1","1","","","","- C52 H44 Cl2 N14 O8 Pd2 -","- C52 H44 Cl2 N14 O8 Pd2 -","- C52 H44 Cl2 N14 O8 Pd2 -","1","1","","Patra, Shanti G.; Shee, Nirmal K.; Drew, Michael G. B.; Datta, Dipankar","Palladium(II)-palladium(II) bonding in two open clamshell dinuclear complexes","New J. Chem.","2017","","","","","10.1039/C7NJ01604B","","","0.71073","MoKα","","0.0275","0.0258","","","0.0589","0.0605","","","","","","1.026","","","","has coordinates","198130","2020-10-21","18:00:00",""
"7056372","5.8417","0.0003","8.906","0.0005","12.8197","0.0007","86.18","0.002","88.587","0.002","72.272","0.002","633.87","0.06","298","2","298","2","","","","","","","","6","P -1","-P 1","2","","","","- C12 H8 F3 N2 O2 S -","- C12 H8 F3 N2 O2 S -","- C24 H16 F6 N4 O4 S2 -","2","1","","S. Chourasiya, Sumit; Patel, Dhara; Nagaraja, C. M.; Chakraborti, Asit Kumar; Bharatam, Prasad. V.","Sulfonamide vs.Sulfonimide: Tautomerism and Electronic Structure Analysis of N-Heterocyclic Arenesulfonamides","New J. Chem.","2017","","","","","10.1039/C7NJ01353A","","","0.71073","MoKα","","0.0708","0.0668","","","0.1973","0.2019","","","","","","1.086","","","","has coordinates","198157","2020-10-21","18:00:00",""
"7056373","10.9279","0.0004","18.813","0.0006","21.313","0.0008","90","","93.944","0.002","90","","4371.3","0.3","150","2","150","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C36 H20 N6 O8 Zn2 -","- C36 H20 N6 O8 Zn2 -","- C144 H80 N24 O32 Zn8 -","4","1","","Zhang, Jinfang; Gong, Linpei; Feng, Jiaoyang; Wu, Junjie; Zhang, Chi","Two Luminescent Zn(II)/Cd(II) Metal-Organic Frameworks as Rare Multifunctional Sensors","New J. Chem.","2017","","","","","10.1039/C7NJ01072A","","","0.71073","MoKα","","0.0872","0.0623","","","0.1652","0.1753","","","","","","1.048","","","","has coordinates","198229","2020-10-21","18:00:00",""
"7056374","10.9463","0.0003","17.965","0.0005","13.4705","0.0003","90","","122.026","0.002","90","","2245.82","0.11","120","2","120","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C22 H18 Cd N8 O5 -","- C22 H18 Cd N8 O5 -","- C88 H72 Cd4 N32 O20 -","4","1","","Zhang, Jinfang; Gong, Linpei; Feng, Jiaoyang; Wu, Junjie; Zhang, Chi","Two Luminescent Zn(II)/Cd(II) Metal-Organic Frameworks as Rare Multifunctional Sensors","New J. Chem.","2017","","","","","10.1039/C7NJ01072A","","","0.71073","MoKα","","0.0359","0.0289","","","0.0768","0.0796","","","","","","1.034","","","","has coordinates","198229","2020-10-21","18:00:00",""
"7056375","9.9381","0.0006","9.8","0.0006","31.5878","0.0019","90","","98.325","0.003","90","","3044","0.3","100","2","100","2","","","","","","","synthesis as described","8","P 1 21/n 1","-P 2yn","14","","","","- C27 H23 Br Cl2 F6 N6 P Ru -","- C27 H23 Br Cl2 F6 N6 P Ru -","- C108 H92 Br4 Cl8 F24 N24 P4 Ru4 -","4","1","","Amabilino, Silvia; Tasse, Marine; Lacroix, Pascal G.; Mallet-Ladeira, Sonia; Pimienta, Véronique; Akl, Joëlle; Sasaki, Isabelle; Malfant, Isabelle","Photorelease of nitric oxide (NO) on ruthenium nitrosyl complexes with phenyl substituted terpyridines","New J. Chem.","2017","","","","","10.1039/C7NJ00866J","","x-ray","0.71073","MoKα","","0.0417","0.0326","","","0.0668","0.0694","","","","","","1.145","","","","has coordinates,has disorder","198274","2020-10-21","18:00:00",""
"7056376","28.016","0.0014","8.6148","0.0005","20.3292","0.001","90","","90","","90","","4906.5","0.4","100","2","100","2","","","","","","","","6","P b c n","-P 2n 2ab","60","","","","- C21 H17 Cl3 N4 O2 Ru -","- C21 H17 Cl3 N4 O2 Ru -","- C168 H136 Cl24 N32 O16 Ru8 -","8","1","","Amabilino, Silvia; Tasse, Marine; Lacroix, Pascal G.; Mallet-Ladeira, Sonia; Pimienta, Véronique; Akl, Joëlle; Sasaki, Isabelle; Malfant, Isabelle","Photorelease of nitric oxide (NO) on ruthenium nitrosyl complexes with phenyl substituted terpyridines","New J. Chem.","2017","","","","","10.1039/C7NJ00866J","","x-ray","0.71073","MoKα","","0.0761","0.0386","","","0.0715","0.0844","","","","","","0.993","","","","has coordinates","198274","2020-10-21","18:00:00",""
"7056377","14.023","0.006","7.125","0.004","25.62","0.012","90","","105.62","0.017","90","","2465","2","100","2","100","2","","","","","","","synthesis as described","8","P 1 21/n 1","-P 2yn","14","","","","- C21 H15 Cl2 F6 N4 O P Ru -","- C21 H15 Cl2 F6 N4 O P Ru -","- C84 H60 Cl8 F24 N16 O4 P4 Ru4 -","4","1","","Amabilino, Silvia; Tasse, Marine; Lacroix, Pascal G.; Mallet-Ladeira, Sonia; Pimienta, Véronique; Akl, Joëlle; Sasaki, Isabelle; Malfant, Isabelle","Photorelease of nitric oxide (NO) on ruthenium nitrosyl complexes with phenyl substituted terpyridines","New J. Chem.","2017","","","","","10.1039/C7NJ00866J","","x-ray","0.71073","MoKα","","0.0557","0.0346","","","0.0701","0.0779","","","","","","1.044","","","","has coordinates","198274","2020-10-21","18:00:00",""
"7056378","6.9624","0.0006","14.2674","0.001","14.4225","0.0011","88.839","0.002","80.54","0.002","83.493","0.002","1404.07","0.19","100","2","100","2","","","","","","","synthesis as described","8","P -1","-P 1","2","","","","- C25 H23 Cl2 F6 N4 O3 P Ru -","- C25 H23 Cl2 F6 N4 O3 P Ru -","- C50 H46 Cl4 F12 N8 O6 P2 Ru2 -","2","1","","Amabilino, Silvia; Tasse, Marine; Lacroix, Pascal G.; Mallet-Ladeira, Sonia; Pimienta, Véronique; Akl, Joëlle; Sasaki, Isabelle; Malfant, Isabelle","Photorelease of nitric oxide (NO) on ruthenium nitrosyl complexes with phenyl substituted terpyridines","New J. Chem.","2017","","","","","10.1039/C7NJ00866J","","x-ray","0.71073","MoKα","","0.0386","0.0293","","","0.0652","0.0695","","","","","","1.043","","","","has coordinates","198274","2020-10-21","18:00:00",""
"7056379","7.6187","0.0008","25.999","0.003","13.6071","0.0012","90","","103.433","0.011","90","","2621.5","0.5","180","2","180","2","","","","","","","synthesis as described","8","P 1 21/c 1","-P 2ybc","14","","","","- C24 H20 Cl2 F6 N4 O P Ru -","- C24 H20 Cl2 F6 N4 O P Ru -","- C96 H80 Cl8 F24 N16 O4 P4 Ru4 -","4","1","","Amabilino, Silvia; Tasse, Marine; Lacroix, Pascal G.; Mallet-Ladeira, Sonia; Pimienta, Véronique; Akl, Joëlle; Sasaki, Isabelle; Malfant, Isabelle","Photorelease of nitric oxide (NO) on ruthenium nitrosyl complexes with phenyl substituted terpyridines","New J. Chem.","2017","","","","","10.1039/C7NJ00866J","","x-ray","0.71073","MoKα","","0.1127","0.0766","","","0.1336","0.147","","","","","","1.091","","","","has coordinates,has disorder","198274","2020-10-21","18:00:00",""
"7056380","10.8897","0.0009","17.2969","0.0013","13.3346","0.001","90","","105.353","0.003","90","","2422","0.3","100","2","100","2","","","","","","","synthesis as described","9","P 1 21/n 1","-P 2yn","14","","","","- C21 H14 Br Cl2 F6 N4 O P Ru -","- C21 H14 Br Cl2 F6 N4 O P Ru -","- C84 H56 Br4 Cl8 F24 N16 O4 P4 Ru4 -","4","1","","Amabilino, Silvia; Tasse, Marine; Lacroix, Pascal G.; Mallet-Ladeira, Sonia; Pimienta, Véronique; Akl, Joëlle; Sasaki, Isabelle; Malfant, Isabelle","Photorelease of nitric oxide (NO) on ruthenium nitrosyl complexes with phenyl substituted terpyridines","New J. Chem.","2017","","","","","10.1039/C7NJ00866J","","x-ray","0.71073","MoKα","","0.0494","0.0346","","","0.0772","0.0837","","","","","","1.051","","","","has coordinates,has disorder","198274","2020-10-21","18:00:00",""
"7056381","21.673","0.002","25.105","0.003","11.5618","0.0012","90","","97.922","0.003","90","","6230.7","1.1","100","2","100","2","","","","","","","","8","P 1 21/c 1","-P 2ybc","14","","","","- C50 H47 Cl4 F12 N9 O5 P2 Ru2 -","- C50 H47 Cl4 F12 N9 O5 P2 Ru2 -","- C200 H188 Cl16 F48 N36 O20 P8 Ru8 -","4","1","","Amabilino, Silvia; Tasse, Marine; Lacroix, Pascal G.; Mallet-Ladeira, Sonia; Pimienta, Véronique; Akl, Joëlle; Sasaki, Isabelle; Malfant, Isabelle","Photorelease of nitric oxide (NO) on ruthenium nitrosyl complexes with phenyl substituted terpyridines","New J. Chem.","2017","","","","","10.1039/C7NJ00866J","","","0.71073","MoKα","","0.1272","0.0947","","","0.2264","0.2447","","","","","","1.021","","","","has coordinates,has disorder","198274","2020-10-21","18:00:00",""
"7056382","14.1159","0.0006","15.3254","0.0007","18.2305","0.0009","90","","112.383","0.003","90","","3646.7","0.3","100","2","100","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C24 H19 N3 O -","- C24 H19 N3 O -","- C192 H152 N24 O8 -","8","2","","Murali, Karunanidhi; Sparkes, Hazel Anne; Pandiyan, B.Vijaya; Prasad, Rajendra","Synthesis, Photophysical Properties and DFT analysis of Highly substituted Pyrido Carbazole-based “push pull” chromophores","New J. Chem.","2017","","","","","10.1039/C7NJ00643H","","","0.71073","MoKα","","0.1235","0.0801","","","0.1874","0.2063","","","","","","1.083","","","","has coordinates","198275","2020-10-21","18:00:00",""
"7056383","10.0881","0.0004","15.1974","0.0006","12.209","0.0005","90","","98.801","0.003","90","","1849.76","0.13","100","2","100","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C24 H19 N3 O -","- C24 H19 N3 O -","- C96 H76 N12 O4 -","4","1","","Murali, Karunanidhi; Sparkes, Hazel Anne; Pandiyan, B.Vijaya; Prasad, Rajendra","Synthesis, Photophysical Properties and DFT analysis of Highly substituted Pyrido Carbazole-based “push pull” chromophores","New J. Chem.","2017","","","","","10.1039/C7NJ00643H","","","0.71073","MoKα","","0.0537","0.0408","","","0.0998","0.1072","","","","","","1.04","","","","has coordinates","198275","2020-10-21","18:00:00",""
"7056384","10.7239","0.0011","15.4965","0.0015","10.3257","0.001","90","","91.507","0.008","90","","1715.4","0.3","100","2","100","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C21 H15 N3 O S -","- C21 H15 N3 O S -","- C84 H60 N12 O4 S4 -","4","1","","Murali, Karunanidhi; Sparkes, Hazel Anne; Pandiyan, B.Vijaya; Prasad, Rajendra","Synthesis, Photophysical Properties and DFT analysis of Highly substituted Pyrido Carbazole-based “push pull” chromophores","New J. Chem.","2017","","","","","10.1039/C7NJ00643H","","","0.71073","MoKα","","0.1173","0.0857","","","0.2348","0.2495","","","","","","1.161","","","","has coordinates","198275","2020-10-21","18:00:00",""
"7056385","9.9044","0.0006","16.2434","0.0009","12.9264","0.0008","90","","106.592","0.004","90","","1993","0.2","100","2","100","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C25 H21 N3 O -","- C25 H21 N3 O -","- C100 H84 N12 O4 -","4","1","","Murali, Karunanidhi; Sparkes, Hazel Anne; Pandiyan, B.Vijaya; Prasad, Rajendra","Synthesis, Photophysical Properties and DFT analysis of Highly substituted Pyrido Carbazole-based “push pull” chromophores","New J. Chem.","2017","","","","","10.1039/C7NJ00643H","","","0.71073","MoKα","","0.0594","0.0449","","","0.1123","0.122","","","","","","1.031","","","","has coordinates","198275","2020-10-21","18:00:00",""
"7056386","13.4283","0.001","15.7465","0.0011","16.5327","0.0011","90","","92.893","0.006","90","","3491.4","0.4","100","2","100","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C23 H17 N3 O -","- C23 H17 N3 O -","- C184 H136 N24 O8 -","8","4","","Murali, Karunanidhi; Sparkes, Hazel Anne; Pandiyan, B.Vijaya; Prasad, Rajendra","Synthesis, Photophysical Properties and DFT analysis of Highly substituted Pyrido Carbazole-based “push pull” chromophores","New J. Chem.","2017","","","","","10.1039/C7NJ00643H","","","0.71073","MoKα","","0.1143","0.0592","","","0.0966","0.116","","","","","","0.993","","","","has coordinates","198275","2020-10-21","18:00:00",""
"7056387","6.7125","0.0003","9.9947","0.0003","15.6535","0.0003","88.139","0.002","87.315","0.002","80.902","0.003","1035.5","0.06","100","0.1","100","0.1","","","","","","","","3","P -1","-P 1","2","4-(3-phenylprop-2-ynoyl)phenyl 4-tert-butylbenzoate (4aj)","4-(3-phenylpropioloyl)phenyl benzoate","","- C26 H22 O3 -","- C26 H22 O3 -","- C52 H44 O6 -","2","1","","Levashov, Andrey; Aksenov, Nicolai A.; Aksenova, Inna V.; Konshin, Valeriy V.","Oxidative coupling of tetraalkynyltin with aldehydes leading to alkynyl ketones","New J. Chem.","2017","","","","","10.1039/C7NJ01376K","","x-ray","1.54184","CuKα","","0.0413","0.0374","","","0.1","0.1038","","","","","","1.037","","","","has coordinates","198303","2020-10-21","18:00:00",""
"7056388","4.6091","0.0005","14.1634","0.0017","24.427","0.003","90","","97.974","0.003","90","","1579.2","0.3","223.1","","","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C17 H18 N2 O5 -","- C17 H18 N2 O5 -","- C68 H72 N8 O20 -","4","1","","Kulikov, Oleg V.; Sevryugina, Yulia V.; Mehmood, Arshad; Saraogi, Ishu","Characterization of aggregated morphologies derived from mono- and bis-arylbenzamides ‒ potential alpha-helix mimetics","New J. Chem.","2017","","","","","10.1039/C6NJ03775E","","","0.71075","MoKα","","","0.0688","","","","0.1614","","","","","","1.051","","","","has coordinates","198304","2020-10-21","18:00:00",""
"7056389","7.7375","0.0015","8.0667","0.0016","12.449","0.003","86.51","0.03","88.96","0.03","64.82","0.03","701.9","0.3","173","2","173","2","","","","","","","","4","P -1","-P 1","2","","","","- C13 H18 N2 O5 -","- C13 H18 N2 O5 -","- C26 H36 N4 O10 -","2","1","","Kulikov, Oleg V.; Sevryugina, Yulia V.; Mehmood, Arshad; Saraogi, Ishu","Characterization of aggregated morphologies derived from mono- and bis-arylbenzamides ‒ potential alpha-helix mimetics","New J. Chem.","2017","","","","","10.1039/C6NJ03775E","","","0.71073","MoKα","","0.0941","0.0504","","","0.1197","0.136","","","","","","1.032","","","","has coordinates","198304","2020-10-21","18:00:00",""
"7056390","10.0873","0.0013","16.344","0.002","41.016","0.005","80.339","0.004","83.426","0.004","72.997","0.004","6359.5","1.4","100","2","100","2","","","","","","","","4","P -1","-P 1","2","","","","- C69 H85 N4 O14.5 -","- C69 H85 N4 O14.5 -","- C276 H340 N16 O58 -","4","2","","Kulikov, Oleg V.; Sevryugina, Yulia V.; Mehmood, Arshad; Saraogi, Ishu","Characterization of aggregated morphologies derived from mono- and bis-arylbenzamides ‒ potential alpha-helix mimetics","New J. Chem.","2017","","","","","10.1039/C6NJ03775E","","","0.71073","MoKα","","0.126","0.1055","","","0.2567","0.2745","","","","","","1.073","","","","has coordinates,has disorder","198304","2020-10-21","18:00:00",""
"7056391","8.4076","0.0003","37.3169","0.0017","21.4037","0.001","90","","95.689","0.001","90","","6682.2","0.5","100","2","100","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","none","dimethyl 4,4'-((4,4'-((2,7-di-tert-butyl-9,9-dimethyl-9H- xanthene-4,5-dicarbonyl)bis(azanediyl)) bis(3-isobutoxybenzoyl))bis(azanediyl)) bis(3-isobutoxybenzoate)","","- C71 H86 N4 O13 -","- C71 H86 N4 O13 -","- C284 H344 N16 O52 -","4","1","","Kulikov, Oleg V.; Sevryugina, Yulia V.; Mehmood, Arshad; Saraogi, Ishu","Characterization of aggregated morphologies derived from mono- and bis-arylbenzamides ‒ potential alpha-helix mimetics","New J. Chem.","2017","","","","","10.1039/C6NJ03775E","","","0.71073","MoKα","","0.0584","0.0514","","","0.1257","0.1325","","","","","","1.061","","","","has coordinates,has disorder","198304","2020-10-21","18:00:00",""
"7056392","15.5078","0.0006","8.1447","0.0003","29.4236","0.001","90","","93.075","0.003","90","","3711","0.2","293","","293","","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C30 H32 Cl7 N3 P Ru S -","- C30 H32 Cl7 N3 P Ru S -","- C120 H128 Cl28 N12 P4 Ru4 S4 -","4","1","","Devagi, Ganesan; Reyhaneh, Farghadani; Dallemer, Frederic; Jayakumar, Rajarajeswaran; Palaniappan, kalaivani; Prabhakaran, Rathinasabapathi","Morphological and in vitro evaluation of programmed cell death in MCF-7 cells by new organoruthenium(II) complexes","New J. Chem.","2017","","","","","10.1039/C7NJ01707C","","x-ray","0.71073","MoKα","","0.0899","0.0598","","","0.1104","0.12","","","","","","1.07","","","","has coordinates,has disorder","198357","2020-10-21","18:00:00",""
"7056393","35.076","0.003","10.0258","0.0006","8.8087","0.0005","90","","94.027","0.006","90","","3090.1","0.4","293","2","293","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C15 H13 F3 N4 O3 -","- C15 H13 F3 N4 O3 -","- C120 H104 F24 N32 O24 -","8","1","","Chen, Mimi; Zhou, Zhengwei; Suo, Yaxiong; Li, Mengyao; Yao, Jianhua; Peng, Ling; Xia, Yi","Acyclonucleosides Bearing Coplanar Arylethynyltriazole Nucleobases: Synthesis, Structural Analysis and Biological Evaluation","New J. Chem.","2017","","","","","10.1039/C7NJ01406F","","","0.71073","MoKα","","0.0693","0.0545","","","0.1397","0.1516","","","","","","1.07","","","","has coordinates,has disorder","198449","2020-10-21","18:00:00",""
"7056394","17.568","0.0009","9.9977","0.0005","8.8328","0.0005","90","","104.264","0.006","90","","1503.56","0.14","294","2","294","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C15 H16 N4 O4 -","- C15 H16 N4 O4 -","- C60 H64 N16 O16 -","4","1","","Chen, Mimi; Zhou, Zhengwei; Suo, Yaxiong; Li, Mengyao; Yao, Jianhua; Peng, Ling; Xia, Yi","Acyclonucleosides Bearing Coplanar Arylethynyltriazole Nucleobases: Synthesis, Structural Analysis and Biological Evaluation","New J. Chem.","2017","","","","","10.1039/C7NJ01406F","","","0.71073","MoKα","","0.0803","0.0518","","","0.1228","0.1418","","","","","","1.052","","","","has coordinates","198449","2020-10-21","18:00:00",""
"7056395","11.4857","0.0007","6.9956","0.0004","33.95","0.003","90","","90","","90","","2727.9","0.3","175","2","175","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C14 H14 N4 O3 -","- C14 H14 N4 O3 -","- C112 H112 N32 O24 -","8","1","","Chen, Mimi; Zhou, Zhengwei; Suo, Yaxiong; Li, Mengyao; Yao, Jianhua; Peng, Ling; Xia, Yi","Acyclonucleosides Bearing Coplanar Arylethynyltriazole Nucleobases: Synthesis, Structural Analysis and Biological Evaluation","New J. Chem.","2017","","","","","10.1039/C7NJ01406F","","","0.71073","MoKα","","0.0596","0.0487","","","0.1321","0.1368","","","","","","1.165","","","","has coordinates","198449","2020-10-21","18:00:00",""
"7056396","11.311","0.0005","11.3185","0.0005","11.4135","0.0005","61.842","0.002","67.726","0.002","78.709","0.002","1191.88","0.1","296","2","296","2","","","","","","","","5","P -1","-P 1","2","[Cu(L)(ac)]2(solv) (complex 3)","","","- C46 H66 Cu2 N2 O12 -","- C46 H66 Cu2 N2 O12 -","- C46 H66 Cu2 N2 O12 -","1","0.5","","Sanyal, Ria; Ketkov, Sergey Yu.; Purkait, Suranjana; Mautner, Franz Andreas; Zhigulin, Grigory; Das, Debasis","Nuclearity dependent solvent contribution on the catechol oxidase activity of novel Copper(II) complexes derived from Mannich-base ligand platforms: synthesis, crystal structure and mechanism","New J. Chem.","2017","","","","","10.1039/C7NJ00425G","","","0.71073","MoKα","","0.0392","0.0332","","","0.1016","0.1071","","","","","","1.073","","","","has coordinates","198450","2020-10-21","18:00:00",""
"7056397","15.8284","0.0004","12.343","0.0003","16.6575","0.0004","90","","90","","90","","3254.37","0.14","293","2","293","2","","","","","","","","6","P b c a","-P 2ac 2ab","61","[Cu(L)Br]2 (complex 4)","","","- C28 H44 Br2 Cu2 N2 O6 -","- C28 H44 Br2 Cu2 N2 O6 -","- C112 H176 Br8 Cu8 N8 O24 -","4","0.5","","Sanyal, Ria; Ketkov, Sergey Yu.; Purkait, Suranjana; Mautner, Franz Andreas; Zhigulin, Grigory; Das, Debasis","Nuclearity dependent solvent contribution on the catechol oxidase activity of novel Copper(II) complexes derived from Mannich-base ligand platforms: synthesis, crystal structure and mechanism","New J. Chem.","2017","","","","","10.1039/C7NJ00425G","","","0.71073","MoKα","","0.0811","0.0437","","","0.0782","0.0931","","","","","","1.038","","","","has coordinates","198450","2020-10-21","18:00:00",""
"7056398","9.2173","0.0006","15.4782","0.001","11.0439","0.0007","90","","95.457","0.002","90","","1568.46","0.17","296","2","296","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","[Cu(L)Cl]2 (complex 5)","","","- C28 H44 Cl2 Cu2 N2 O6 -","- C28 H44 Cl2 Cu2 N2 O6 -","- C56 H88 Cl4 Cu4 N4 O12 -","2","0.5","","Sanyal, Ria; Ketkov, Sergey Yu.; Purkait, Suranjana; Mautner, Franz Andreas; Zhigulin, Grigory; Das, Debasis","Nuclearity dependent solvent contribution on the catechol oxidase activity of novel Copper(II) complexes derived from Mannich-base ligand platforms: synthesis, crystal structure and mechanism","New J. Chem.","2017","","","","","10.1039/C7NJ00425G","","","0.71073","MoKα","","0.0784","0.0511","","","0.1302","0.1537","","","","","","1.068","","","","has coordinates","198450","2020-10-21","18:00:00",""
"7056399","12.548","0.0016","12.7661","0.0016","22.424","0.003","92.579","0.006","93.385","0.006","117.938","0.005","3157.1","0.7","293","2","293","2","","","","","","","","5","P -1","-P 1","2","(Cu4-Complex 1)","","","- C101 H176 Cu8 N8 O39 -","- C101 H176 Cu8 N8 O39 -","- C101 H176 Cu8 N8 O39 -","1","0.5","","Sanyal, Ria; Ketkov, Sergey Yu.; Purkait, Suranjana; Mautner, Franz Andreas; Zhigulin, Grigory; Das, Debasis","Nuclearity dependent solvent contribution on the catechol oxidase activity of novel Copper(II) complexes derived from Mannich-base ligand platforms: synthesis, crystal structure and mechanism","New J. Chem.","2017","","","","","10.1039/C7NJ00425G","","","0.71073","MoKα","","0.1814","0.1117","","","0.2889","0.3432","","","","","","1.021","","","","has coordinates,has disorder","198450","2020-10-21","18:00:00",""
"7056400","9.1226","0.0007","11.7431","0.0008","29.958","0.002","90","","90","","90","","3209.3","0.4","296","2","296","2","","","","","","","","6","P n c a","-P 2a 2n","60","(complex 2)","","","- C21 H40 Cl2 Cu2 N2 O15 -","- C21 H40 Cl2 Cu2 N2 O14.9 -","- C84 H160 Cl8 Cu8 N8 O59.6 -","4","0.5","","Sanyal, Ria; Ketkov, Sergey Yu.; Purkait, Suranjana; Mautner, Franz Andreas; Zhigulin, Grigory; Das, Debasis","Nuclearity dependent solvent contribution on the catechol oxidase activity of novel Copper(II) complexes derived from Mannich-base ligand platforms: synthesis, crystal structure and mechanism","New J. Chem.","2017","","","","","10.1039/C7NJ00425G","","","0.71073","MoKα","","0.128","0.1038","","","0.2923","0.3141","","","","","","1.109","","","","has coordinates,has disorder","198450","2020-10-21","18:00:00",""
"7056401","10.2706","0.0002","11.8221","0.0003","17.2366","0.0003","104.385","0.0014","95.617","0.0014","109.568","0.0013","1872.19","0.07","295","","295","","","","","","","","","5","P -1","-P 1","2","","","","- C38 H52 Cu N2 O6 -","- C38 H50 Cu N2 O6 -","- C76 H100 Cu2 N4 O12 -","2","1","","Kumar, Santosh; Garg, Shipra; Sharma, Raj Pal; Venugoplan, Paloth; Tenti, Lorenzo; Ferretti, Valeria; Nivelle, Laetitia; Tarpin, Michel; Guillon, Emmanuel","Four monomeric copper(II) complexes of non-steroidal anti-inflammatory drug Ibuprofen and N-donor ligands: Syntheses, characterization, crystal structures and cytotoxicity studies.","New J. Chem.","2017","","","","","10.1039/C7NJ00247E","","","0.71073","MoKα","","0.0647","0.049","","","0.1351","0.1452","","","","","","1.042","","","","has coordinates","198501","2020-10-21","18:00:00",""
"7056402","16.5388","0.0004","6.1918","0.0001","17.4653","0.0004","90","","94.803","0.0014","90","","1782.25","0.07","295","","295","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C34 H56 Cu N2 O6 -","- C34 H56 Cu N2 O6 -","- C68 H112 Cu2 N4 O12 -","2","0.5","","Kumar, Santosh; Garg, Shipra; Sharma, Raj Pal; Venugoplan, Paloth; Tenti, Lorenzo; Ferretti, Valeria; Nivelle, Laetitia; Tarpin, Michel; Guillon, Emmanuel","Four monomeric copper(II) complexes of non-steroidal anti-inflammatory drug Ibuprofen and N-donor ligands: Syntheses, characterization, crystal structures and cytotoxicity studies.","New J. Chem.","2017","","","","","10.1039/C7NJ00247E","","","0.71073","MoKα","","0.0711","0.0548","","","0.1423","0.1572","","","","","","1.064","","","","has coordinates,has disorder","198501","2020-10-21","18:00:00",""
"7056403","9.4147","0.0002","11.8811","0.0003","17.5005","0.0004","95.564","0.001","103.187","0.001","103.464","0.001","1830.12","0.07","295","","295","","","","","","","","","5","P -1","-P 1","2","","","","- C38 H50 Cu N2 O5 -","- C38 H50 Cu N2 O5 -","- C76 H100 Cu2 N4 O10 -","2","1","","Kumar, Santosh; Garg, Shipra; Sharma, Raj Pal; Venugoplan, Paloth; Tenti, Lorenzo; Ferretti, Valeria; Nivelle, Laetitia; Tarpin, Michel; Guillon, Emmanuel","Four monomeric copper(II) complexes of non-steroidal anti-inflammatory drug Ibuprofen and N-donor ligands: Syntheses, characterization, crystal structures and cytotoxicity studies.","New J. Chem.","2017","","","","","10.1039/C7NJ00247E","","","0.71073","MoKα","","0.0715","0.056","","","0.1586","0.169","","","","","","1.079","","","","has coordinates","198501","2020-10-21","18:00:00",""
"7056404","9.4147","0.0002","11.8811","0.0003","17.5005","0.0004","95.564","0.001","103.187","0.001","103.464","0.001","1830.12","0.07","295","","295","","","","","","","","","5","P -1","-P 1","2","","","","- C38 H50 Cu N2 O5 -","- C38 H50 Cu N2 O5 -","- C76 H100 Cu2 N4 O10 -","2","1","","Kumar, Santosh; Garg, Shipra; Sharma, Raj Pal; Venugoplan, Paloth; Tenti, Lorenzo; Ferretti, Valeria; Nivelle, Laetitia; Tarpin, Michel; Guillon, Emmanuel","Four monomeric copper(II) complexes of non-steroidal anti-inflammatory drug Ibuprofen and N-donor ligands: Syntheses, characterization, crystal structures and cytotoxicity studies.","New J. Chem.","2017","","","","","10.1039/C7NJ00247E","","","0.71073","MoKα","","0.0712","0.0558","","","0.1587","0.1695","","","","","","1.065","","","","has coordinates","198501","2020-10-21","18:00:00",""
"7056405","10.1145","0.0008","12.2682","0.001","12.3933","0.0009","72.208","0.002","75.931","0.002","83.695","0.002","1419.32","0.19","298","2","298","2","","","","","","","","6","P -1","-P 1","2","","","","- C24 H20 Gd2 N4 O14 S3 -","- C24 H20 Gd2 N4 O14 S3 -","- C48 H40 Gd4 N8 O28 S6 -","2","1","","Zheng, Teng-Fei; Yao, Shu-Li; Cao, Chen; Liu, Sui-Jun; Hu, Hui-Kang; Zhang, Tao; Huang, Hai-Ping; Liao, Jin-Sheng; Chen, Jing-Lin; Wen, He-Rui","Large magnetic entropy changes in three GdIII coordination polymers containing GdIII chains","New J. Chem.","2017","","","","","10.1039/C7NJ01463E","","","0.71073","MoKα","","0.0742","0.0522","","","0.1315","0.1382","","","","","","1.09","","","","has coordinates","198502","2020-10-21","18:00:00",""
"7056406","7.963","0.0009","14.9838","0.0016","19.642","0.002","90","","94.281","0.002","90","","2337.1","0.4","293","2","293","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C15 H30 Gd2 O18 -","- C15 H30 Gd2 O18 -","- C60 H120 Gd8 O72 -","4","0.5","","Zheng, Teng-Fei; Yao, Shu-Li; Cao, Chen; Liu, Sui-Jun; Hu, Hui-Kang; Zhang, Tao; Huang, Hai-Ping; Liao, Jin-Sheng; Chen, Jing-Lin; Wen, He-Rui","Large magnetic entropy changes in three GdIII coordination polymers containing GdIII chains","New J. Chem.","2017","","","","","10.1039/C7NJ01463E","","","0.71073","MoKα","","0.024","0.0219","","","0.042","0.0425","","","","","","1.228","","","","has coordinates,has disorder","198502","2020-10-21","18:00:00",""
"7056407","36.202","0.007","15.391","0.003","29.655","0.006","90","","90","","90","","16523","6","273","2","273","2","","","","","","","","6","P c c a","-P 2a 2ac","54","","","","- C42 H31 Eu N O8 P -","- C42 H31 Eu N O8 P -","- C336 H248 Eu8 N8 O64 P8 -","8","1","","Katagiri, Kosuke; Matsuo, Naoya; Kawahata, Masatoshi; Masu, Hyuma; Yamaguchi, Kentaro","Aqua Coordination to Attenuate the Luminescence Properties of Europium(III)-Phosphine Oxide Porous Coordination Polymers","New J. Chem.","2017","","","","","10.1039/C7NJ00637C","","","0.8","Synchrotron","","0.0661","0.0515","","","0.1599","0.1798","","","","","","0.718","","","","has coordinates","198586","2020-10-21","18:00:00",""
"7056408","36.205","0.007","15.379","0.003","29.692","0.006","90","","90","","90","","16532","6","273","2","273","2","","","","","","","","6","P c c a","-P 2a 2ac","54","","","","- C41.28 H29.31 Eu N0.76 O8 P -","- C41.274 H29.306 Eu N0.758 O8 P -","- C330.192 H234.448 Eu8 N6.064 O64 P8 -","8","1","","Katagiri, Kosuke; Matsuo, Naoya; Kawahata, Masatoshi; Masu, Hyuma; Yamaguchi, Kentaro","Aqua Coordination to Attenuate the Luminescence Properties of Europium(III)-Phosphine Oxide Porous Coordination Polymers","New J. Chem.","2017","","","","","10.1039/C7NJ00637C","","","0.8","Synchrotron","","0.0515","0.0428","","","0.1318","0.1378","","","","","","1.094","","","","has coordinates,has disorder","198586","2020-10-21","18:00:00",""
"7056409","7.484","0.0004","7.8907","0.0004","10.2465","0.0005","90","","93.122","0.003","90","","604.2","0.05","296","","296","","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C3 H5 N9 O12 -","- C3 H5 N9 O12 -","- C6 H10 N18 O24 -","2","1","","Liu, Tianlin; Qi, Xiujuan; Wang, Kangcai; Zhang, Jiaheng; Zhang, Wenquan; Zhang, Qinghua","Green primary energetic materials based on N-(3-nitro-1-(trinitromethyl)-1H-1,2,4-triazol-5-yl)nitramide","New J. Chem.","2017","","","","","10.1039/C7NJ01917C","","","0.71073","MoKα","","0.0379","0.0314","","","0.0867","0.1263","","","","","","1.261","","","","has coordinates","198662","2020-10-21","18:00:00",""
"7056410","23.003","0.002","6.749","0.0007","19.422","0.002","90","","90","","90","","3015.2","0.5","296.15","","296.15","","","","","","","","","4","P c a 21","P 2c -2ac","29","","","","- C5 H5 N13 O10 -","- C5 H5 N13 O10 -","- C40 H40 N104 O80 -","8","2","","Liu, Tianlin; Qi, Xiujuan; Wang, Kangcai; Zhang, Jiaheng; Zhang, Wenquan; Zhang, Qinghua","Green primary energetic materials based on N-(3-nitro-1-(trinitromethyl)-1H-1,2,4-triazol-5-yl)nitramide","New J. Chem.","2017","","","","","10.1039/C7NJ01917C","","","0.71073","MoKα","","0.1222","0.0602","","","0.1454","0.1774","","","","","","1.006","","","","has coordinates","198662","2020-10-21","18:00:00",""
"7056411","12.264","0.005","20.048","0.007","12.605","0.005","90","","98.056","0.017","90","","3069","2","296.15","","296.15","","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C4 H4 N14 O10 -","- C4 H4 N14 O10 -","- C32 H32 N112 O80 -","8","1","","Liu, Tianlin; Qi, Xiujuan; Wang, Kangcai; Zhang, Jiaheng; Zhang, Wenquan; Zhang, Qinghua","Green primary energetic materials based on N-(3-nitro-1-(trinitromethyl)-1H-1,2,4-triazol-5-yl)nitramide","New J. Chem.","2017","","","","","10.1039/C7NJ01917C","","","0.71073","MoKα","","0.1142","0.0534","","","0.1195","0.1469","","","","","","1.001","","","","has coordinates,has disorder","198662","2020-10-21","18:00:00",""
"7056412","9.2722","0.0011","13.486","0.0016","12.5676","0.0015","90","","90","","90","","1571.5","0.3","296.15","","296.15","","","","","","","","","4","P c a 21","P 2c -2ac","29","","","","- C5 H6 N14 O10 -","- C5 H6 N14 O10 -","- C20 H24 N56 O40 -","4","1","","Liu, Tianlin; Qi, Xiujuan; Wang, Kangcai; Zhang, Jiaheng; Zhang, Wenquan; Zhang, Qinghua","Green primary energetic materials based on N-(3-nitro-1-(trinitromethyl)-1H-1,2,4-triazol-5-yl)nitramide","New J. Chem.","2017","","","","","10.1039/C7NJ01917C","","","0.71073","MoKα","","0.0726","0.0432","","","0.0818","0.0927","","","","","","1.008","","","","has coordinates","198662","2020-10-21","18:00:00",""
"7056413","8.228","0.0004","7.3357","0.0003","11.3167","0.0005","90","","94.923","0.003","90","","680.54","0.05","296","2","296.15","","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C3 H7 N11 O11 -","- C3 H7 N11 O11 -","- C6 H14 N22 O22 -","2","1","","Liu, Tianlin; Qi, Xiujuan; Wang, Kangcai; Zhang, Jiaheng; Zhang, Wenquan; Zhang, Qinghua","Green primary energetic materials based on N-(3-nitro-1-(trinitromethyl)-1H-1,2,4-triazol-5-yl)nitramide","New J. Chem.","2017","","","","","10.1039/C7NJ01917C","","","0.71073","MoKα","","0.0505","0.0369","","","0.0735","0.0776","","","","","","0.956","","","","has coordinates,has disorder","198662","2020-10-21","18:00:00",""
"7056414","7.8388","0.0015","7.873","0.0015","10.987","0.002","90","","90.413","0.011","90","","678","0.2","296","2","296.15","","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C3 H6 N10 O12 -","- C3 H6 N10 O12 -","- C6 H12 N20 O24 -","2","1","","Liu, Tianlin; Qi, Xiujuan; Wang, Kangcai; Zhang, Jiaheng; Zhang, Wenquan; Zhang, Qinghua","Green primary energetic materials based on N-(3-nitro-1-(trinitromethyl)-1H-1,2,4-triazol-5-yl)nitramide","New J. Chem.","2017","","","","","10.1039/C7NJ01917C","","","0.71073","MoKα","","0.0669","0.0426","","","0.1068","0.121","","","","","","1.006","","","","has coordinates,has disorder","198662","2020-10-21","18:00:00",""
"7056415","7.4594","0.0001","7.8789","0.0002","10.4774","0.0002","90","","90.745","0.001","90","","615.72","0.02","170","","170","","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C3 H2 K N9 O11 -","- C3 H2 K N9 O11 -","- C6 H4 K2 N18 O22 -","2","1","","Liu, Tianlin; Qi, Xiujuan; Wang, Kangcai; Zhang, Jiaheng; Zhang, Wenquan; Zhang, Qinghua","Green primary energetic materials based on N-(3-nitro-1-(trinitromethyl)-1H-1,2,4-triazol-5-yl)nitramide","New J. Chem.","2017","","","","","10.1039/C7NJ01917C","","","0.71073","MoKα","","0.0298","0.0257","","","0.0543","0.0562","","","","","","1.033","","","","has coordinates,has disorder","198662","2020-10-21","18:00:00",""
"7056416","7.5643","0.0007","8.0022","0.0007","10.6515","0.001","90","","91.239","0.002","90","","644.6","0.1","296.15","","296.15","","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C3 H6 N10 O11 -","- C3 H6 N10 O11 -","- C6 H12 N20 O22 -","2","1","","Liu, Tianlin; Qi, Xiujuan; Wang, Kangcai; Zhang, Jiaheng; Zhang, Wenquan; Zhang, Qinghua","Green primary energetic materials based on N-(3-nitro-1-(trinitromethyl)-1H-1,2,4-triazol-5-yl)nitramide","New J. Chem.","2017","","","","","10.1039/C7NJ01917C","","","0.71073","MoKα","","0.0482","0.0355","","","0.0739","0.0796","","","","","","1.023","","","","has coordinates,has disorder","198662","2020-10-21","18:00:00",""
"7056417","6.559","0.005","8.777","0.005","15.493","0.005","94.087","0.005","91.473","0.005","92.143","0.005","888.7","0.9","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C19 H17 N O4 S -","- C19 H17 N O4 S -","- C38 H34 N2 O8 S2 -","2","1","","Laha, Joydev K.; Sharma, Shubhra; Bhimpuria, Rohan A.; Dayal, Neetu; Dubey, Gurudutt; Bharatam, Prasad. V.","Integration of Oxidative Arylation with Sulfonyl Migration: One-Pot Tandem Synthesis of Densely Functionalized (NH)-Pyrroles","New J. Chem.","2017","","","","","10.1039/C7NJ01709J","","","0.71073","MoKα","","0.0935","0.0529","","","0.1151","0.1314","","","","","","1.036","","","","has coordinates","198663","2020-10-21","18:00:00",""
"7056418","14.953","0.002","13.6358","0.0018","11.0501","0.0015","90","","95.389","0.002","90","","2243.1","0.5","223","2","223","2","","","","","","","","6","C 1 2/m 1","-C 2y","12","","","","- C28 H50 Ca2 Cl4 N16 O17 -","- C28 H44 Ca2 Cl4 N16 O17 -","- C56 H88 Ca4 Cl8 N32 O34 -","2","0.25","","Shen, Yenan; Zou, Lei; Wang, Qiaochun","Template-directed synthesis of cucurbituril analogues using propanediurea as building block","New J. Chem.","2017","","","","","10.1039/C7NJ01669G","","","0.71073","MoKα","","0.0607","0.0554","","","0.1923","0.2019","","","","","","1.099","","","","has coordinates,has disorder","198664","2020-10-21","18:00:00",""
"7056419","19.356","0.003","11.1923","0.0016","26.552","0.004","90","","90","","90","","5752.2","1.5","223","2","223","2","","","","","","","","6","P n m a","-P 2ac 2n","62","","","","- C35 H68 Ba2 Cl4 N20 O24 -","- C35 H40 Ba2 Cl4 N20 O24 -","- C140 H160 Ba8 Cl16 N80 O96 -","4","0.5","","Shen, Yenan; Zou, Lei; Wang, Qiaochun","Template-directed synthesis of cucurbituril analogues using propanediurea as building block","New J. Chem.","2017","","","","","10.1039/C7NJ01669G","","","0.71073","MoKα","","0.0647","0.0563","","","0.1527","0.1577","","","","","","1.199","","","","has coordinates","198664","2020-10-21","18:00:00",""
"7056420","17.3533","0.0006","9.0977","0.0003","17.7828","0.0006","90","","118.702","0.001","90","","2462.51","0.15","100","2","100","2","","","","","","","synthesis as described","6","C 1 2/c 1","-C 2yc","15","","","","- C18 H26 Cl4 Cu2 N6 S2 -","- C18 H26 Cl4 Cu2 N6 S2 -","- C72 H104 Cl16 Cu8 N24 S8 -","4","0.5","","Torres-García, Pablo; Luna-Giles, Francisco; Garcia, Bernalte; Platas-Iglesias, Carlos; Esteban-Gómez, David; Vinuelas-Zahinos, E.","Effects of the substituents of pyrazole/thiazine ligands on the magnetic properties of chloro-bridged Cu(II) complexes","New J. Chem.","2017","","","","","10.1039/C7NJ01581J","","x-ray","0.71073","MoKα","","0.0285","0.0228","","","0.0517","0.0536","","","","","","1.022","","","","has coordinates","198688","2020-10-21","18:00:00",""
"7056421","7.5613","0.0003","17.6501","0.0007","18.5075","0.0007","90","","90","","90","","2469.97","0.17","100","2","100","2","","","","","","","synthesis as described","6","P b c a","-P 2ac 2ab","61","","","","- C9 H13 Cl2 Cu N3 S -","- C9 H13 Cl2 Cu N3 S -","- C72 H104 Cl16 Cu8 N24 S8 -","8","1","","Torres-García, Pablo; Luna-Giles, Francisco; Garcia, Bernalte; Platas-Iglesias, Carlos; Esteban-Gómez, David; Vinuelas-Zahinos, E.","Effects of the substituents of pyrazole/thiazine ligands on the magnetic properties of chloro-bridged Cu(II) complexes","New J. Chem.","2017","","","","","10.1039/C7NJ01581J","","x-ray","0.71073","MoKα","","0.0227","0.0204","","","0.0535","0.0545","","","","","","1.169","","","","has coordinates","198688","2020-10-21","18:00:00",""
"7056422","17.2598","0.0014","8.9759","0.0007","14.2902","0.0012","90","","106.6","0.001","90","","2121.6","0.3","298","2","298","2","","","","","","","synthesis as described","6","C 1 2/c 1","-C 2yc","15","","","","- C14 H18 Cl4 Cu2 N6 S2 -","- C14 H18 Cl4 Cu2 N6 S2 -","- C56 H72 Cl16 Cu8 N24 S8 -","4","0.5","","Torres-García, Pablo; Luna-Giles, Francisco; Garcia, Bernalte; Platas-Iglesias, Carlos; Esteban-Gómez, David; Vinuelas-Zahinos, E.","Effects of the substituents of pyrazole/thiazine ligands on the magnetic properties of chloro-bridged Cu(II) complexes","New J. Chem.","2017","","","","","10.1039/C7NJ01581J","","x-ray","0.71073","MoKα","","0.0429","0.0396","","","0.1001","0.1021","","","","","","1.111","","","","has coordinates","198688","2020-10-21","18:00:00",""
"7056423","6.34","0.005","15.756","0.005","19.015","0.005","90","0.005","98.637","0.005","90","0.005","1877.9","1.7","110","2","110","2","","","","","","","synthesis as described","6","P 1 21/n 1","-P 2yn","14","","","","- C38 H34 Cl4 Cu2 N6 S2 -","- C38 H34 Cl4 Cu2 N6 S2 -","- C76 H68 Cl8 Cu4 N12 S4 -","2","0.5","","Torres-García, Pablo; Luna-Giles, Francisco; Garcia, Bernalte; Platas-Iglesias, Carlos; Esteban-Gómez, David; Vinuelas-Zahinos, E.","Effects of the substituents of pyrazole/thiazine ligands on the magnetic properties of chloro-bridged Cu(II) complexes","New J. Chem.","2017","","","","","10.1039/C7NJ01581J","","x-ray","0.71073","MoKα","","0.0656","0.0504","","","0.138","0.1477","","","","","","1.133","","","","has coordinates","198688","2020-10-21","18:00:00",""
"7056424","17.9439","0.0013","9.4204","0.0007","9.7121","0.0007","90","","96.528","0.001","90","","1631.1","0.2","293","2","293","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- Cd5 H10 O20 P4 -","- Cd5 H10 O20 P4 -","- Cd20 H40 O80 P16 -","4","0.5","","Zhang, Jun; Su, Jian; Zhao, Meng; Xie, Wenjie; Jin, Jie; Xie, Fazhi; Song, Xiaojie; Zhang, Sheng-Yi; Wu, Jieying; Tian, Yupeng","A series of novel Cadmium(II) coordination polymers with photoluminescence and ferroelectric properties based on zwitterionic ligand","New J. Chem.","2017","","","","","10.1039/C7NJ00524E","","","0.71073","MoKα","","0.0241","0.0204","","","0.0461","0.0473","","","","","","1.091","","","","has coordinates","198689","2020-10-21","18:00:00",""
"7056425","10.5785","0.0005","11.2277","0.0005","15.2628","0.0007","97.333","0.001","93.227","0.001","108.16","0.001","1699.51","0.14","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C35 H36 Cd N3 O14 -","- C35 H36 Cd N3 O14 -","- C70 H72 Cd2 N6 O28 -","2","1","","Zhang, Jun; Su, Jian; Zhao, Meng; Xie, Wenjie; Jin, Jie; Xie, Fazhi; Song, Xiaojie; Zhang, Sheng-Yi; Wu, Jieying; Tian, Yupeng","A series of novel Cadmium(II) coordination polymers with photoluminescence and ferroelectric properties based on zwitterionic ligand","New J. Chem.","2017","","","","","10.1039/C7NJ00524E","","","0.71073","MoKα","","0.0367","0.0336","","","0.0839","0.086","","","","","","1.049","","","","has coordinates,has disorder","198689","2020-10-21","18:00:00",""
"7056426","28.471","0.0014","16.1958","0.0008","11.4266","0.0005","90","","104.318","0.001","90","","5105.3","0.4","296","2","296","2","","","","","","","","5","C 1 2 1","C 2y","5","","","","- C96 H89.4 Cd5 N8 O45.7 -","- C96 H89.4 Cd5 N8 O45.71 -","- C192 H178.8 Cd10 N16 O91.42 -","2","0.5","","Zhang, Jun; Su, Jian; Zhao, Meng; Xie, Wenjie; Jin, Jie; Xie, Fazhi; Song, Xiaojie; Zhang, Sheng-Yi; Wu, Jieying; Tian, Yupeng","A series of novel Cadmium(II) coordination polymers with photoluminescence and ferroelectric properties based on zwitterionic ligand","New J. Chem.","2017","","","","","10.1039/C7NJ00524E","","","0.71073","MoKα","","0.0637","0.0591","","","0.1648","0.1694","","","","","","1.042","","","","has coordinates,has disorder","198689","2020-10-21","18:00:00",""
"7056427","8.1048","0.0003","16.4602","0.0007","24.4695","0.0012","90","","95.214","0.004","90","","3250.9","0.2","294","2","294","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C31 H37 Cu N7 O8 -","- C31 H37 Cu N7 O8 -","- C124 H148 Cu4 N28 O32 -","4","1","","Yilmaz, Veysel T.; Icsel, Ceyda; Suyunova, Feruza; Aygün, Muhittin; Cevatemre, Buse; Ulukaya, Engin","Synthesis, structures, DNA/protein binding, molecular docking, anticancer activity and ROS generation of Ni(II), Cu(II) and Zn(II) 5,5-diethylbarbiturate complexes with bis(2-pyridylmethyl)amine and terpyridine","New J. Chem.","2017","","","","","10.1039/C7NJ00887B","","","0.71073","MoKα","","0.0803","0.0484","","","0.1059","0.1179","","","","","","1.028","","","","has coordinates","198690","2020-10-21","18:00:00",""
"7056428","11.955","0.0003","13.1256","0.0004","19.5245","0.0005","90","","98.522","0.003","90","","3029.89","0.14","294","2","294","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C28 H37 Cu N7 O7 -","- C28 H37 Cu N7 O7 -","- C112 H148 Cu4 N28 O28 -","4","1","","Yilmaz, Veysel T.; Icsel, Ceyda; Suyunova, Feruza; Aygün, Muhittin; Cevatemre, Buse; Ulukaya, Engin","Synthesis, structures, DNA/protein binding, molecular docking, anticancer activity and ROS generation of Ni(II), Cu(II) and Zn(II) 5,5-diethylbarbiturate complexes with bis(2-pyridylmethyl)amine and terpyridine","New J. Chem.","2017","","","","","10.1039/C7NJ00887B","","x-ray","0.71073","MoKα","","0.0527","0.0402","","","0.0982","0.1049","","","","","","1.051","","","","has coordinates,has disorder","198690","2020-10-21","18:00:00",""
"7056429","12.6201","0.0007","12.9945","0.0007","19.5366","0.001","90","","96.576","0.005","90","","3182.8","0.3","294","2","294","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C31 H35 Cu N7 O7 -","- C31 H35 Cu N7 O7 -","- C124 H140 Cu4 N28 O28 -","4","1","","Yilmaz, Veysel T.; Icsel, Ceyda; Suyunova, Feruza; Aygün, Muhittin; Cevatemre, Buse; Ulukaya, Engin","Synthesis, structures, DNA/protein binding, molecular docking, anticancer activity and ROS generation of Ni(II), Cu(II) and Zn(II) 5,5-diethylbarbiturate complexes with bis(2-pyridylmethyl)amine and terpyridine","New J. Chem.","2017","","","","","10.1039/C7NJ00887B","","x-ray","0.71073","MoKα","","0.0572","0.0378","","","0.0873","0.0959","","","","","","1.011","","","","has coordinates","198690","2020-10-21","18:00:00",""
"7056430","12.0293","0.0005","13.1743","0.0006","19.3947","0.0008","90","","97.84","0.004","90","","3044.9","0.2","293","2","293","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C28 H37 N7 O7 Zn -","- C28 H37 N7 O7 Zn -","- C112 H148 N28 O28 Zn4 -","4","1","","Yilmaz, Veysel T.; Icsel, Ceyda; Suyunova, Feruza; Aygün, Muhittin; Cevatemre, Buse; Ulukaya, Engin","Synthesis, structures, DNA/protein binding, molecular docking, anticancer activity and ROS generation of Ni(II), Cu(II) and Zn(II) 5,5-diethylbarbiturate complexes with bis(2-pyridylmethyl)amine and terpyridine","New J. Chem.","2017","","","","","10.1039/C7NJ00887B","","x-ray","0.71073","MoKα","","0.0725","0.0445","","","0.0917","0.1043","","","","","","1.034","","","","has coordinates,has disorder","198690","2020-10-21","18:00:00",""
"7056431","12.5914","0.0007","13.0083","0.0007","19.7972","0.0008","90","","97.786","0.005","90","","3212.7","0.3","294","2","294","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C31 H35 N7 Ni O7 -","- C31 H35 N7 Ni O7 -","- C124 H140 N28 Ni4 O28 -","4","1","","Yilmaz, Veysel T.; Icsel, Ceyda; Suyunova, Feruza; Aygün, Muhittin; Cevatemre, Buse; Ulukaya, Engin","Synthesis, structures, DNA/protein binding, molecular docking, anticancer activity and ROS generation of Ni(II), Cu(II) and Zn(II) 5,5-diethylbarbiturate complexes with bis(2-pyridylmethyl)amine and terpyridine","New J. Chem.","2017","","","","","10.1039/C7NJ00887B","","x-ray","0.71073","MoKα","","0.0684","0.0411","","","0.0875","0.0984","","","","","","1.01","","","","has coordinates","198690","2020-10-21","18:00:00",""
"7056432","12.6345","0.0005","13.0965","0.0006","19.4378","0.001","90","","95.957","0.004","90","","3199","0.3","293","2","293","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C31 H35 N7 O7 Zn -","- C31 H35 N7 O7 Zn -","- C124 H140 N28 O28 Zn4 -","4","1","","Yilmaz, Veysel T.; Icsel, Ceyda; Suyunova, Feruza; Aygün, Muhittin; Cevatemre, Buse; Ulukaya, Engin","Synthesis, structures, DNA/protein binding, molecular docking, anticancer activity and ROS generation of Ni(II), Cu(II) and Zn(II) 5,5-diethylbarbiturate complexes with bis(2-pyridylmethyl)amine and terpyridine","New J. Chem.","2017","","","","","10.1039/C7NJ00887B","","x-ray","0.71073","MoKα","","0.0527","0.0361","","","0.0805","0.0872","","","","","","1.03","","","","has coordinates","198690","2020-10-21","18:00:00",""
"7056433","10.6756","0.0003","12.8419","0.0004","19.8099","0.0007","101.496","0.003","96.128","0.003","101.12","0.003","2581.45","0.15","294","2","294","2","","","","","","","","5","P -1","-P 1","2","","","","- C44 H63 N11 Ni O14 -","- C44 H63 N11 Ni O14 -","- C88 H126 N22 Ni2 O28 -","2","1","","Yilmaz, Veysel T.; Icsel, Ceyda; Suyunova, Feruza; Aygün, Muhittin; Cevatemre, Buse; Ulukaya, Engin","Synthesis, structures, DNA/protein binding, molecular docking, anticancer activity and ROS generation of Ni(II), Cu(II) and Zn(II) 5,5-diethylbarbiturate complexes with bis(2-pyridylmethyl)amine and terpyridine","New J. Chem.","2017","","","","","10.1039/C7NJ00887B","","x-ray","0.71073","MoKα","","0.0744","0.0581","","","0.1527","0.165","","","","","","1.021","","","","has coordinates","198690","2020-10-21","18:00:00",""
"7056434","10.6","0.0002","12.5286","0.0003","14.5861","0.0003","65.447","0.002","78.817","0.002","76.648","0.002","1703.76","0.07","150","2","150","2","","","","","","","","7","P -1","-P 1","2","","bis(N(4)-ortho-chlorophenyl-2-acetylpyridinethiosemicarbazonato)Indium(III)nitrate methanol and water solvate","","- C30 H34 Cl2 In N9 O6 S2 -","- C30 H29 Cl2 In N9 O6 S2 -","- C60 H58 Cl4 In2 N18 O12 S4 -","2","1","","Oliveira, Alexandre Almeida; Franco, Lucas Lopardi; Dos Santos, Raquel Gouvea; Perdigão, Gabriele de Matos Cardoso; Da Silva, Jeferson G.; Souza-Fagundes, Elaine; Beraldo, Heloisa","Neutron activation of In(III) complexes with thiosemicarbazones leads to the production of potential radiopharmaceuticals for the treatment of breast cancer","New J. Chem.","2017","","","","","10.1039/C7NJ01547J","","","0.71073","MoKα","","0.047","0.0404","","","0.1005","0.1056","","","","","","1.151","","","","has coordinates","198713","2020-10-21","18:00:00",""
"7056435","8.814","0.003","9.208","0.003","14.261","0.004","90","","90","","90","","1157.4","0.6","153","2","153","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C3 H2 Cl2 N4 -","- C3 Cl2 N4 -","- C24 Cl16 N32 -","8","1","","Du, Yao; Zhang, Ji-Chuan; peng, Panpan; Su, Hui; Li, Sheng-Hua; Pang, Si-Ping","Synthesis and characterization of three pyrazolate inner diazonium salts: green, powerful and stable primary explosives","New J. Chem.","2017","","","","","10.1039/C7NJ00876G","","","0.71073","MoKα","","0.0396","0.037","","","0.0997","0.1023","","","","","","1.002","","","","has coordinates","198714","2020-10-21","18:00:00",""
"7056436","11.382","0.003","10.234","0.002","12.054","0.003","90","","109.625","0.003","90","","1322.5","0.5","153","2","153","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","4-diazo-3,5-dinitropyrazole","","- C3 H0 N6 O4 -","- C3 N6 O4 -","- C24 N48 O32 -","8","2","","Du, Yao; Zhang, Ji-Chuan; peng, Panpan; Su, Hui; Li, Sheng-Hua; Pang, Si-Ping","Synthesis and characterization of three pyrazolate inner diazonium salts: green, powerful and stable primary explosives","New J. Chem.","2017","","","","","10.1039/C7NJ00876G","","","0.71073","MoKα","","0.0463","0.0368","","","0.0949","0.1018","","","","","","1.001","","","","has coordinates","198714","2020-10-21","18:00:00",""
"7056437","5.5357","0.0004","9.1337","0.0007","11.5261","0.0008","90","","91.852","0.006","90","","582.47","0.07","293","2","293","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","NCDAP","3-nitro-5-carbonyl-4-diazopyrazolate zwitterion","","- C3 H N5 O3 -","- C3 H N5 O3 -","- C12 H4 N20 O12 -","4","1","","Du, Yao; Zhang, Ji-Chuan; peng, Panpan; Su, Hui; Li, Sheng-Hua; Pang, Si-Ping","Synthesis and characterization of three pyrazolate inner diazonium salts: green, powerful and stable primary explosives","New J. Chem.","2017","","","","","10.1039/C7NJ00876G","","x-ray","0.71073","MoKα","","0.0749","0.0456","","","0.0985","0.1135","","","","","","1.085","","","","has coordinates","198714","2020-10-21","18:00:00",""
"7056438","20.047","0.004","11.357","0.002","18.677","0.004","90","","118.51","0.03","90","","3736.6","1.7","170","2","170","2","","","","","","","","6","C 1 2/m 1","-C 2y","12","","","","- C15 H26 La2 O22 P3 S3 -","- C15 H15 La2 O22 P3 S3 -","- C60 H60 La8 O88 P12 S12 -","4","0.5","","Beyer, Ole; Homburg, Thomas; Albat, Martin; Stock, Norbert; Luening, Ulrich","Synthesis of phosphonosulfonic acid building blocks as linkers for coordination polymers","New J. Chem.","2017","","","","","10.1039/C7NJ01697B","","","0.71073","MoKα","","0.0724","0.0667","","","0.1654","0.1685","","","","","","1.004","","","","has coordinates,has disorder","198715","2020-10-21","18:00:00",""
"7056439","10.498","0.002","11.412","0.003","17.061","0.003","90","","114.079","0.01","90","","1866.1","0.7","293","2","293","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","(E)-2-cyano-3-phenylacrylamide","","- C10 H8 N2 O -","- C10 H8 N2 O -","- C80 H64 N16 O8 -","8","2","","Narendar Reddy, Thatikonda; raktani, bikshapathi; Perla, Ramesh; Ravinder, Mettu; Vaidya, Jayathirtha Rao; Nanubolu, Jagadeesh Babu","An efficient catalyst-free one-pot synthesis of primary amides from aldehydes of Baylis-Hillman Reaction","New J. Chem.","2017","","","","","10.1039/C7NJ01965C","","","0.71073","MoKα","","0.1121","0.0692","","","0.1715","0.2091","","","","","","1.099","","","","has coordinates","198751","2020-10-21","18:00:00",""
"7056440","10.0312","0.0007","15.7314","0.0008","11.0525","0.0005","90","","96.436","0.005","90","","1733.15","0.17","296","2","296","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C14 H17 Cl N10 O -","- C14 H17 Cl N10 O -","- C56 H68 Cl4 N40 O4 -","4","1","","Safin, Damir A.; Babashkina, Maria G.; Robeyns, Koen; Garcia, Yann","Organic matrix-induced formation of a discrete cyclic [Cl2(H2O)2]2− cluster","New J. Chem.","2017","","","","","10.1039/C7NJ00700K","","","0.71073","MoKα","","0.1028","0.0538","","","0.1166","0.1462","","","","","","1.059","","","","has coordinates","198777","2020-10-21","18:00:00",""
"7056441","10.9906","0.0005","12.1122","0.0005","13.7302","0.0009","90","","91.889","0.007","90","","1826.78","0.16","293","","293","","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C28 H40 Cd2 Cl2 N10 O6 -","- C28 H40 Cd2 Cl2 N10 O6 -","- C56 H80 Cd4 Cl4 N20 O12 -","2","0.5","","Radi, Smaail; El-Massaoudi, Mohamed; Benaissa, Houria; Adarsh, N. N.; Ferbinteanu, Marilena; Devlin, Eamonn; Sanakis, Yiannis; Garcia, Yann","Crystal engineering of a series of complexes and coordination polymers based on pyrazole-carboxylic acid ligands","New J. Chem.","2017","","","","","10.1039/C7NJ01714F","","","0.71075","MoKα","","0.0698","0.0345","","","0.0692","0.0919","","","","","","1.168","","","","has coordinates","198778","2020-10-21","18:00:00",""
"7056442","15.1068","0.0006","9.9563","0.0005","17.5608","0.0012","90","","90","","90","","2641.3","0.2","293","","293","","","","","","","","","5","P b c n","-P 2n 2ab","60","","","","- C20 H32 Co N6 O7 -","- C20 H34 Co N6 O9 -","- C80 H136 Co4 N24 O36 -","4","0.5","","Radi, Smaail; El-Massaoudi, Mohamed; Benaissa, Houria; Adarsh, N. N.; Ferbinteanu, Marilena; Devlin, Eamonn; Sanakis, Yiannis; Garcia, Yann","Crystal engineering of a series of complexes and coordination polymers based on pyrazole-carboxylic acid ligands","New J. Chem.","2017","","","","","10.1039/C7NJ01714F","","","0.71075","MoKα","","0.17","0.0791","","","0.2068","0.2958","","","","","","1.118","","","","has coordinates","198778","2020-10-21","18:00:00",""
"7056443","8.9476","","9.2599","0.0001","10.2507","0.0002","88.279","0.005","74.957","0.005","72.294","0.004","780.25","0.03","293","","293","","","","","","","","","5","P -1","-P 1","2","","","","- C12 H18 Cu N4 O7 -","- C12 H18 Cu N4 O7 -","- C24 H36 Cu2 N8 O14 -","2","1","","Radi, Smaail; El-Massaoudi, Mohamed; Benaissa, Houria; Adarsh, N. N.; Ferbinteanu, Marilena; Devlin, Eamonn; Sanakis, Yiannis; Garcia, Yann","Crystal engineering of a series of complexes and coordination polymers based on pyrazole-carboxylic acid ligands","New J. Chem.","2017","","","","","10.1039/C7NJ01714F","","","0.71075","MoKα","","0.0441","0.0422","","","0.1148","0.1189","","","","","","1.103","","","","has coordinates","198778","2020-10-21","18:00:00",""
"7056444","8.7238","0.0009","8.907","0.0008","9.5349","0.0009","92.976","0.007","106.274","0.008","111.903","0.008","649.61","0.12","293","","293","","","","","","","","","5","P -1","-P 1","2","","","","- C20 H34 Co N6 O10 -","- C20 H34 Co N6 O10 -","- C20 H34 Co N6 O10 -","1","0.5","","Radi, Smaail; El-Massaoudi, Mohamed; Benaissa, Houria; Adarsh, N. N.; Ferbinteanu, Marilena; Devlin, Eamonn; Sanakis, Yiannis; Garcia, Yann","Crystal engineering of a series of complexes and coordination polymers based on pyrazole-carboxylic acid ligands","New J. Chem.","2017","","","","","10.1039/C7NJ01714F","","","0.71075","MoKα","","0.1437","0.0806","","","0.1787","0.2505","","","","","","1.094","","","","has coordinates","198778","2020-10-21","18:00:00",""
"7056445","17.7066","0.0005","11.8913","0.0003","19.4436","0.0013","90","","111.498","0.008","90","","3809.1","0.4","293","","293","","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C28 H44 Cu2 N12 O14 -","- C28 H44 Cu2 N12 O14 -","- C112 H176 Cu8 N48 O56 -","4","1","","Radi, Smaail; El-Massaoudi, Mohamed; Benaissa, Houria; Adarsh, N. N.; Ferbinteanu, Marilena; Devlin, Eamonn; Sanakis, Yiannis; Garcia, Yann","Crystal engineering of a series of complexes and coordination polymers based on pyrazole-carboxylic acid ligands","New J. Chem.","2017","","","","","10.1039/C7NJ01714F","","","0.71075","MoKα","","0.0959","0.0468","","","0.1268","0.1768","","","","","","1.113","","","","has coordinates","198778","2020-10-21","18:00:00",""
"7056446","9.562","0.0019","6.653","0.0013","17.748","0.004","90","","93.05","0.03","90","","1127.5","0.4","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C9 H8 Cl I N4 -","- C9 H8 Cl I N4 -","- C36 H32 Cl4 I4 N16 -","4","1","","Wang, Jin-Wen; Chen, Chen; Li, Yao-Jia; Luo, Yang-Hui; Sun, Baiwang","Halogen-bonding contacts determining the crystal structure and fluorescence properties of organic salts","New J. Chem.","2017","","","","","10.1039/C7NJ02034A","","","0.71073","MoKα","","0.0588","0.0429","","","0.1028","0.1101","","","","","","1.008","","","","has coordinates","198879","2020-10-21","18:00:00",""
"7056447","4.281","0.0009","11.572","0.002","19.146","0.004","90","","93.49","0.03","90","","946.7","0.3","293","2","293","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C9 H7 Br N4 -","- C9 H7 Br N4 -","- C36 H28 Br4 N16 -","4","1","","Wang, Jin-Wen; Chen, Chen; Li, Yao-Jia; Luo, Yang-Hui; Sun, Baiwang","Halogen-bonding contacts determining the crystal structure and fluorescence properties of organic salts","New J. Chem.","2017","","","","","10.1039/C7NJ02034A","","","0.71073","MoKα","","0.1221","0.0546","","","0.0903","0.1055","","","","","","1.006","","","","has coordinates","198879","2020-10-21","18:00:00",""
"7056448","4.472","0.0009","11.701","0.002","19.032","0.004","90","","95.38","0.03","90","","991.5","0.3","293","2","293","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C9 H7 I N4 -","- C9 H7 I N4 -","- C36 H28 I4 N16 -","4","1","","Wang, Jin-Wen; Chen, Chen; Li, Yao-Jia; Luo, Yang-Hui; Sun, Baiwang","Halogen-bonding contacts determining the crystal structure and fluorescence properties of organic salts","New J. Chem.","2017","","","","","10.1039/C7NJ02034A","","","0.71073","MoKα","","0.0797","0.0435","","","0.0935","0.1052","","","","","","1.002","","","","has coordinates","198879","2020-10-21","18:00:00",""
"7056449","8","0.0016","9.886","0.002","14.32","0.003","95.05","0.03","97.8","0.03","105.59","0.03","1071.5","0.4","293","2","293","2","","","","","","","","6","P -1","-P 1","2","","","","- C18 H15 Br2 Cl N8 O4 -","- C18 H15 Br2 Cl N8 O4 -","- C36 H30 Br4 Cl2 N16 O8 -","2","1","","Wang, Jin-Wen; Chen, Chen; Li, Yao-Jia; Luo, Yang-Hui; Sun, Baiwang","Halogen-bonding contacts determining the crystal structure and fluorescence properties of organic salts","New J. Chem.","2017","","","","","10.1039/C7NJ02034A","","","0.71073","MoKα","","0.1625","0.0896","","","0.217","0.2495","","","","","","1.087","","","","has coordinates","198879","2020-10-21","18:00:00",""
"7056450","7.6676","0.0002","10.8399","0.0004","57.6299","0.0016","90","","90","","90","","4790","0.3","290","2","290","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C25 H33 Fe N O3 S -","- C25 H33 Fe N O3 S -","- C200 H264 Fe8 N8 O24 S8 -","8","2","","Kamenova-Nacheva, Mariana; Schröder, Maria; Pasheva, Evdokia; Slavchev, Ivaylo; Dimitrov, Vladimir; Momekov, Georgi; Petrova, Rosica; Shivachev, Boris Lubomirov; Ugrinova, Iva; Dobrikov, Georgi","Synthesis of ferrocenylmethylidene and arylidene substituted camphane based compounds as potential anticancer agents","New J. Chem.","2017","","","","","10.1039/C7NJ00619E","","x-ray","0.71073","MoKα","","0.0829","0.0603","","","0.137","0.1523","","","","","","1.062","","","","has coordinates,has disorder","198880","2020-10-21","18:00:00",""
"7056451","8.8258","0.0002","6.0141","0.0002","30.3167","0.0008","90","","96.386","0.001","90","","1599.2","0.08","150","2","150","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C40 H44 N4 -","- C40 H44 N4 -","- C80 H88 N8 -","2","0.5","","Madhu, Suresh; Rashmi, E.; Gonnade, Rajesh G.; Sanjayan, G. J.","Exploring Gem-Dimethyl Effect in the Formation of Imine-Based Macrocycles and Cages","New J. Chem.","2017","","","","","10.1039/C7NJ02069D","","","0.71073","MoKα","","0.0562","0.0505","","","0.1179","0.1214","","","","","","1.112","","","","has coordinates","198882","2020-10-21","18:00:00",""
"7056452","24.2039","0.0009","14.9856","0.0006","19.4818","0.0008","90","","98.214","0.001","90","","6993.8","0.5","100","2","100","2","","","","","","","","4","P 1 2/c 1","-P 2yc","13","","","","- C80 H80 Cl6 N8 -","- C80 H80 Cl6 N8 -","- C320 H320 Cl24 N32 -","4","1","","Madhu, Suresh; Rashmi, E.; Gonnade, Rajesh G.; Sanjayan, G. J.","Exploring Gem-Dimethyl Effect in the Formation of Imine-Based Macrocycles and Cages","New J. Chem.","2017","","","","","10.1039/C7NJ02069D","","","1.54178","CuKα","","0.1031","0.0592","","","0.1402","0.1615","","","","","","1.027","","","","has coordinates","198882","2020-10-21","18:00:00",""
"7056453","16.151","0.0004","17.5803","0.0005","8.6794","0.0002","90","","96.025","0.002","90","","2450.81","0.11","200","2","200","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C64 H60 N4 -","- C64 H60 N4 -","- C128 H120 N8 -","2","0.5","","Madhu, Suresh; Rashmi, E.; Gonnade, Rajesh G.; Sanjayan, G. J.","Exploring Gem-Dimethyl Effect in the Formation of Imine-Based Macrocycles and Cages","New J. Chem.","2017","","","","","10.1039/C7NJ02069D","","","0.71073","MoKα","","0.1032","0.0622","","","0.1133","0.1291","","","","","","1.076","","","","has coordinates","198882","2020-10-21","18:00:00",""
"7056454","9.966","0.0005","20.4442","0.0012","21.3571","0.0012","109.652","0.003","100.622","0.003","98.052","0.003","3930.6","0.4","100","2","100","2","","","","","","","","3","P -1","-P 1","2","","","","- C90 H84 N6 -","- C90 H84 N6 -","- C180 H168 N12 -","2","1","","Madhu, Suresh; Rashmi, E.; Gonnade, Rajesh G.; Sanjayan, G. J.","Exploring Gem-Dimethyl Effect in the Formation of Imine-Based Macrocycles and Cages","New J. Chem.","2017","","","","","10.1039/C7NJ02069D","","","1.54178","CuKα","","0.111","0.0739","","","0.1935","0.2142","","","","","","1.016","","","","has coordinates","198882","2020-10-21","18:00:00",""
"7056455","16.593","0.002","17.657","0.002","17.872","0.003","102.17","0.005","92.478","0.007","98.25","0.004","5050.9","1.2","100","2","100","2","","","","","","","","3","P -1","-P 1","2","","","","- C57 H64.5 N7.5 -","- C56 H63 N7 -","- C224 H252 N28 -","4","2","","Madhu, Suresh; Rashmi, E.; Gonnade, Rajesh G.; Sanjayan, G. J.","Exploring Gem-Dimethyl Effect in the Formation of Imine-Based Macrocycles and Cages","New J. Chem.","2017","","","","","10.1039/C7NJ02069D","","","0.71073","MoKα","","0.0519","0.0451","","","0.143","0.1484","","","","","","1.079","","","","has coordinates","202518","2020-10-21","18:00:00",""
"7056456","13.178","0.007","9.598","0.005","28.58","0.016","90","","90","","90","","3615","3","","","296.15","","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C23 H15 F2 N3 O2 -","- C23 H15 F2 N3 O2 -","- C184 H120 F16 N24 O16 -","8","1","","Bharadwaj, S. Shashidhar; Poojary, Boja; Madan Kumar, S.; Byrappa, K.; Nagananda, Govinahalli Shivashankara; Chaitanya, Amajala Krishna; Zaveri, Kunal; Yarla, Nagendra Sastry; Shiralgi, Yallappa; Kudva, Avinash K.; Dhananjaya, B. L.","Design, synthesis and pharmacological studies of some new quinoline Schiff bases and 2,5-(disubstituted-[1,3,4])-oxadiazoles","New J. Chem.","2017","","","","","10.1039/C6NJ03913H","","","0.71075","MoKα","","0.1263","0.0844","","","0.1225","0.1441","","","","","","1.143","","","","has coordinates","198911","2020-10-21","18:00:00",""
"7056457","7.592","0.002","6.3812","0.0018","23.954","0.007","90","","95.07","0.004","90","","1155.9","0.6","296","2","296.15","","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C9 H10 Cu F N3 O3 -","- C9 H10 Cu F N3 O3 -","- C36 H40 Cu4 F4 N12 O12 -","4","1","","Ma, Xiaohui; Wu, Yuewei; Cen, Peipei; Ma, Shenru; Zhang, Chengcheng; Luo, Shuchang; Zhou, Huiliang; Song, Weiming; Liu, Xiangyu","Ferromagnetic ordering and slow magnetic relaxation observed in a triple-bridged azido-Cu(II) chain compound with mixed carboxylate/ethanol linkers","New J. Chem.","2017","","","","","10.1039/C7NJ01685A","","","0.71073","MoKα","","0.0625","0.0357","","","0.0779","0.0873","","","","","","1.032","","","","has coordinates,has disorder","199034","2020-10-21","18:00:00",""
"7056458","26.628","0.006","12.917","0.003","26.346","0.006","90","","90","","90","","9062","4","293","2","293","2","","","","","","","","6","P n m a","-P 2ac 2n","62","","","","- C36 H5.75 I22 N12 O3 Pb5 -","- C36 H60 I22 N12 O3 Pb5 -","- C144 H240 I88 N48 O12 Pb20 -","4","0.5","","Yu, Hui; Wei, Zhenhong; Hao, Yanhuan; Liang, Zhiwen; Fu, Zhengjiang; Cai, Hu","Reversible solid-state thermochromism of a 2D organic-inorganic hybrid perovskite structure based on iodoplumbate and 2-aminomethyl-pyridine","New J. Chem.","2017","","","","","10.1039/C7NJ02229H","","","0.71073","MoKα","","0.0593","0.0446","","","0.1257","0.147","","","","","","1.058","","","","has coordinates","199337","2020-10-21","18:00:00",""
"7056459","10.5797","0.0014","11.7633","0.0015","30.267","0.004","90","","90","","90","","3766.8","0.9","160","2","160","2","","","","","","","","5","P c c n","-P 2ab 2ac","56","","","","- C24 H56 N7 O15 Tb -","- C24 H56 N7 O15 Tb -","- C96 H224 N28 O60 Tb4 -","4","0.5","","Zhang, Shi-Yong; Liao, Jin-Sheng; Xu, Wei-Jian; Liang, Fu-Yong; Peng, Guang-Huai; Liu, Sui-Jun; Wen, He-Rui; Du, Zi-Yi","Structural phase transitions, dielectric bistability and luminescence of two bulky ion-pair crystals [N(C3H7)4]2[Ln(NO3)5] (Ln = Tb, Dy)","New J. Chem.","2017","","","","","10.1039/C7NJ01597F","","","0.71073","MoKα","","0.0627","0.0581","","","0.1115","0.1129","","","","","","1.361","","","","has coordinates","199338","2020-10-21","18:00:00",""
"7056460","10.5239","0.0008","11.7488","0.0009","30.109","0.002","90","","90","","90","","3722.8","0.5","100","2","100","2","","","","","","","","5","P c c n","-P 2ab 2ac","56","","","","- C24 H56 Dy N7 O15 -","- C24 H56 Dy N7 O15 -","- C96 H224 Dy4 N28 O60 -","4","0.5","","Zhang, Shi-Yong; Liao, Jin-Sheng; Xu, Wei-Jian; Liang, Fu-Yong; Peng, Guang-Huai; Liu, Sui-Jun; Wen, He-Rui; Du, Zi-Yi","Structural phase transitions, dielectric bistability and luminescence of two bulky ion-pair crystals [N(C3H7)4]2[Ln(NO3)5] (Ln = Tb, Dy)","New J. Chem.","2017","","","","","10.1039/C7NJ01597F","","","0.71073","MoKα","","0.0509","0.0451","","","0.0831","0.0849","","","","","","1.256","","","","has coordinates","199338","2020-10-21","18:00:00",""
"7056461","10.415","0.0007","15.5947","0.0012","11.9725","0.001","90","","91.203","0.007","90","","1944.1","0.3","293","","293","","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C16 H12 Cl Cu N5 S2 -","- C16 H12 Cl Cu N5 S2 -","- C64 H48 Cl4 Cu4 N20 S8 -","4","1","","Naveen, P.; Jain, Ruchi; Kalaivani, P.; Shankar, R.; Dallemer, F.; Prabhakaran, R.","Unpredicted formation of copper(ii) complexes containing 2-thiophen-2-yl-1-thiophen-2-ylmethyl-1H-benzoimidazole and their most promising in vitro cytotoxicity in MCF-7 and HeLa cell lines over cisplatin","New J. Chem.","2017","","","","","10.1039/C7NJ01273J","","x-ray","1.54184","CuKα","","0.1467","0.1049","","","0.3133","0.3486","","","","","","1.191","","","","has coordinates","199365","2020-10-21","18:00:00",""
"7056462","10.6994","0.0003","16.2816","0.0003","9.3721","0.0003","90","","108.915","0.003","90","","1544.49","0.08","293","","293","","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C16 H12 Cl Cu0.5 N2 S2 -","- C16 H12 Cl Cu0.5 N2 S2 -","- C64 H48 Cl4 Cu2 N8 S8 -","4","1","","Naveen, P.; Jain, Ruchi; Kalaivani, P.; Shankar, R.; Dallemer, F.; Prabhakaran, R.","Unpredicted formation of copper(ii) complexes containing 2-thiophen-2-yl-1-thiophen-2-ylmethyl-1H-benzoimidazole and their most promising in vitro cytotoxicity in MCF-7 and HeLa cell lines over cisplatin","New J. Chem.","2017","","","","","10.1039/C7NJ01273J","","x-ray","1.54184","CuKα","","0.0497","0.0439","","","0.1242","0.1301","","","","","","1.057","","","","has coordinates,has disorder","199365","2020-10-21","18:00:00",""
"7056463","7.4948","0.0018","10.427","0.002","32.549","0.008","90","","90","","90","","2543.6","1","302","2","302","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C14 H12 N3 O2.5 -","- C14 H12 N3 O2.5 -","- C112 H96 N24 O20 -","8","2","","Patil, Siddappa A.; Kandathil, Vishal; Fahlman, Bradley; S, Sasidhar B; Patil, Shivaputra","A Convenient, Efficient and Reusable N-Heterocyclic Carbene‒Palladium(II) Based Catalyst Supported on Magnetite for Suzuki‒Miyaura and Mizoroki‒Heck Cross-Coupling Reactions","New J. Chem.","2017","","","","","10.1039/C7NJ01876B","","","0.71073","MoKα","","0.0945","0.0541","","","0.1425","0.1605","","","","","","1.017","","","","has coordinates","202518","2020-10-21","18:00:00",""
"7056464","9.834","0.003","5.07","0.002","19.48","0.008","90","","96.32","0.03","90","","965.3","0.6","100","2","100","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C26 H24 N2 O2 -","- C26 H24 N2 O2 -","- C52 H48 N4 O4 -","2","0.5","","Bikas, Rahman; Emami, Marzieh; Ślepokura, Katarzyna; Noshiranzadeh, Nader","Preparing Mn(III) salen-type Schiff base complexes using 1,3-oxazines obtained by Mannich condensation: Towards removing ortho-hydroxyaldehydes","New J. Chem.","2017","","","","","10.1039/C7NJ01562C","","","1.5418","CuKα","","0.1474","0.0727","","","0.1595","0.1756","","","","","","1.008","","","","has coordinates","199381","2020-10-21","18:00:00",""
"7056465","8.561","0.003","11.639","0.004","12.617","0.005","83.1","0.03","79.14","0.03","72.49","0.03","1174.7","0.8","100","2","100","2","","","","","","","","6","P -1","-P 1","2","","","","- C22 H26 F2 Mn N3 O7 -","- C22 H26 F2 Mn N3 O7 -","- C44 H52 F4 Mn2 N6 O14 -","2","1","","Bikas, Rahman; Emami, Marzieh; Ślepokura, Katarzyna; Noshiranzadeh, Nader","Preparing Mn(III) salen-type Schiff base complexes using 1,3-oxazines obtained by Mannich condensation: Towards removing ortho-hydroxyaldehydes","New J. Chem.","2017","","","","","10.1039/C7NJ01562C","","","0.71073","MoKα","","0.0547","0.041","","","0.0939","0.0994","","","","","","1.033","","","","has coordinates","199381","2020-10-21","18:00:00",""
"7056466","8.418","0.004","9.004","0.004","14.787","0.004","96.34","0.03","92.01","0.03","103.59","0.04","1080.6","0.8","100","2","100","2","","","","","","","","6","P -1","-P 1","2","","","","- C25 H28 Mn N3 O2 S -","- C25 H18 Mn N3 O2 S -","- C50 H36 Mn2 N6 O4 S2 -","2","1","","Bikas, Rahman; Emami, Marzieh; Ślepokura, Katarzyna; Noshiranzadeh, Nader","Preparing Mn(III) salen-type Schiff base complexes using 1,3-oxazines obtained by Mannich condensation: Towards removing ortho-hydroxyaldehydes","New J. Chem.","2017","","","","","10.1039/C7NJ01562C","","","0.71073","MoKα","","0.0912","0.0628","","","0.1481","0.1567","","","","","","1.007","","","","has coordinates","206958","2020-10-21","18:00:00",""
"7056467","8.716","0.003","9.048","0.003","35.845","0.009","90","","95.1","0.03","90","","2815.6","1.5","100","2","100","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C30 H32 Mn N3 O7 -","- C30 H32 Mn N3 O7 -","- C120 H128 Mn4 N12 O28 -","4","1","","Bikas, Rahman; Emami, Marzieh; Ślepokura, Katarzyna; Noshiranzadeh, Nader","Preparing Mn(III) salen-type Schiff base complexes using 1,3-oxazines obtained by Mannich condensation: Towards removing ortho-hydroxyaldehydes","New J. Chem.","2017","","","","","10.1039/C7NJ01562C","","","0.71073","MoKα","","0.0673","0.0514","","","0.1404","0.1463","","","","","","1.096","","","","has coordinates,has disorder","199381","2020-10-21","18:00:00",""
"7056468","10.088","0.003","11.208","0.003","34.421","0.009","90","","90","","90","","3891.9","1.9","100","2","100","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C24 H18 Mn N5 O2 -","- C24 H18 Mn N5 O2 -","- C192 H144 Mn8 N40 O16 -","8","1","","Bikas, Rahman; Emami, Marzieh; Ślepokura, Katarzyna; Noshiranzadeh, Nader","Preparing Mn(III) salen-type Schiff base complexes using 1,3-oxazines obtained by Mannich condensation: Towards removing ortho-hydroxyaldehydes","New J. Chem.","2017","","","","","10.1039/C7NJ01562C","","","0.71073","MoKα","","0.1076","0.0597","","","0.114","0.1319","","","","","","1.027","","","","has coordinates","199381","2020-10-21","18:00:00",""
"7056469","14.4223","0.0006","18.043","0.0005","16.9397","0.0006","90","","113.726","0.005","90","","4035.5","0.3","295","2","295","2","","","","","","","","8","P 1 21/c 1","-P 2ybc","14","","","","- C89 H73 Cl2 N2 O9 P4 Ru2 S2 -","- C89 H73 Cl2 N2 O9 P4 Ru2 S2 -","- C178 H146 Cl4 N4 O18 P8 Ru4 S4 -","2","0.5","","Kumar, Ramasamy Raj; Ramesh, Rengan; Małecki, Jan Grzegorz","Versatile coordination ability of thioamide ligand in Ru(ii) complexes: synthesis, computational studies, in vitro anticancer activity and apoptosis induction","New J. Chem.","2017","","","","","10.1039/C7NJ01828B","","x-ray","0.71073","MoKα","","0.0639","0.0388","","","0.0772","0.0903","","","","","","1.056","","","","has coordinates","199395","2020-10-21","18:00:00",""
"7056470","10.8253","0.0006","10.6426","0.0006","10.4358","0.0006","90","","101.913","0.006","90","","1176.41","0.12","295","2","295","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C11 H12 N2 O3 S -","- C11 H12 N2 O3 S -","- C44 H48 N8 O12 S4 -","4","1","","Kumar, Ramasamy Raj; Ramesh, Rengan; Małecki, Jan Grzegorz","Versatile coordination ability of thioamide ligand in Ru(ii) complexes: synthesis, computational studies, in vitro anticancer activity and apoptosis induction","New J. Chem.","2017","","","","","10.1039/C7NJ01828B","","x-ray","0.71073","MoKα","","0.0951","0.0577","","","0.1229","0.1419","","","","","","1.015","","","","has coordinates","199395","2020-10-21","18:00:00",""
"7056471","14.918","0.0006","15.6202","0.0006","18.34","0.0009","90","","92.113","0.004","90","","4270.7","0.3","295","2","295","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C48 H42 N2 O4 P2 Ru S -","- C48 H42 N2 O4 P2 Ru S -","- C192 H168 N8 O16 P8 Ru4 S4 -","4","1","","Kumar, Ramasamy Raj; Ramesh, Rengan; Małecki, Jan Grzegorz","Versatile coordination ability of thioamide ligand in Ru(ii) complexes: synthesis, computational studies, in vitro anticancer activity and apoptosis induction","New J. Chem.","2017","","","","","10.1039/C7NJ01828B","","x-ray","0.71073","MoKα","","0.0684","0.0421","","","0.0834","0.0942","","","","","","1.026","","","","has coordinates","199395","2020-10-21","18:00:00",""
"7056472","8.3313","0.0009","12.5035","0.0013","19.8612","0.0018","90","","93.365","0.009","90","","2065.4","0.4","293","2","293","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C26 H15 F3 N4 -","- C26 H15 F3 N4 -","- C104 H60 F12 N16 -","4","1","","Boddula, Rajamouli; Devi, Rachna; Mohanty, Abhijeet; Krishnan, Venkata; Vaidyanathan, Sivakumar","Effects of electron withdrawing groups in imidazole-phenanthroline ligands and their influence on photophysical properties of EuIII complexes for white light emitting diodes","New J. Chem.","2017","","","","","10.1039/C7NJ02291C","","x-ray","0.71073","MoKα","","0.0937","0.0738","","","0.2022","0.2224","","","","","","1.063","","","","has coordinates","199396","2020-10-21","18:00:00",""
"7056473","8.8714","0.0008","10.1323","0.001","11.8936","0.0011","100.266","0.008","110.428","0.008","102.53","0.008","939.56","0.18","293","2","293","2","","","","","","","","3","P -1","-P 1","2","","","","- C25 H16 N4 -","- C25 H16 N4 -","- C50 H32 N8 -","2","1","","Boddula, Rajamouli; Devi, Rachna; Mohanty, Abhijeet; Krishnan, Venkata; Vaidyanathan, Sivakumar","Effects of electron withdrawing groups in imidazole-phenanthroline ligands and their influence on photophysical properties of EuIII complexes for white light emitting diodes","New J. Chem.","2017","","","","","10.1039/C7NJ02291C","","x-ray","0.71073","MoKα","","0.0879","0.0617","","","0.1559","0.1776","","","","","","1.09","","","","has coordinates","199396","2020-10-21","18:00:00",""
"7056474","9.913","0.0008","10.2709","0.0009","10.8021","0.0009","78.383","0.001","71.218","0.002","67.638","0.001","959.04","0.14","298","2","298","2","","","","","","","","5","P -1","-P 1","2","","","","- C25 H17 N O S -","- C25 H17 N O S -","- C50 H34 N2 O2 S2 -","2","1","","Niu , Yahui; Wang, Qin; Wu, Haoran; wang, Yuxiu; Zhang, Yanrong","Experimental and DFT studies of disubstituted 2-(2-hydroxyphenyl)benzothiazole-based fluorophores synthesized by Suzuki coupling","New J. Chem.","2017","","","","","10.1039/C7NJ01525A","","","0.71073","MoKα","","0.066","0.0426","","","0.098","0.1064","","","","","","1.047","","","","has coordinates","199427","2020-10-21","18:00:00",""
"7056475","20.7516","0.0016","28.169","0.002","7.3729","0.0006","90","","90","","90","","4309.8","0.6","298","2","298","2","","","","","","","","6","P n m a","-P 2ac 2n","62","","","","- C18 H21.75 Cl3 Fe N3 O2.5 -","- C18 H22.5 Cl3 Fe N3 O2.5 -","- C144 H180 Cl24 Fe8 N24 O20 -","8","1","","Gomes, Clicia; Lube, Leonardo Munaldi; Fernandes, Christiane; Franco, Roberto W. A.; Lamounier Camargos Resende, Jackson Antonio; Horn, Adolfo","A new system for cyclohexane functionalization employing iron(III) catalysts and trichloroisocianuric acid","New J. Chem.","2017","","","","","10.1039/C7NJ01164D","","x-ray","0.71073","MoKα","","0.1436","0.1213","","","0.2878","0.2983","","","","","","1.205","","","","has coordinates","199428","2020-10-21","18:00:00",""
"7056476","17.662","0.003","10.529","0.002","22.676","0.004","90","","109.361","0.004","90","","3978.4","1.2","293","2","293","2","","","","","","","","6","P 1 2/n 1","-P 2yac","13","","","","- C86 H64 N6 P4 S6 W -","- C86 H64 N6 P4 S6 W -","- C172 H128 N12 P8 S12 W2 -","2","0.5","","Khatua, Suman; Naskar, Tilak; Nandi, Chandan; Majumdar, Amit","Mononuclear Bis(dithiolene) Mo(IV) and W(IV) Complexes with P, P; S, S; O, S and O, O Donor Ligands: A Comparative Reactivity Study","New J. Chem.","2017","","","","","10.1039/C7NJ01797A","","x-ray","0.71073","MoKα","","0.0478","0.0363","","","0.0789","0.0842","","","","","","1.018","","","","has coordinates","199429","2020-10-21","18:00:00",""
"7056477","30.794","0.003","12.8406","0.001","14.2129","0.0011","90","","103.423","0.003","90","","5466.4","0.8","293","2","293","2","","","","","","","","7","C 1 2/c 1","-C 2yc","15","","","","- C62 H44 N4 O2 P2 S4 W -","- C62 H44 N4 O2 P2 S4 W -","- C248 H176 N16 O8 P8 S16 W4 -","4","0.5","","Khatua, Suman; Naskar, Tilak; Nandi, Chandan; Majumdar, Amit","Mononuclear Bis(dithiolene) Mo(IV) and W(IV) Complexes with P, P; S, S; O, S and O, O Donor Ligands: A Comparative Reactivity Study","New J. Chem.","2017","","","","","10.1039/C7NJ01797A","","x-ray","0.71073","MoKα","","0.0485","0.032","","","0.0549","0.0607","","","","","","1.006","","","","has coordinates","199429","2020-10-21","18:00:00",""
"7056478","8.533","0.0002","11.5039","0.0003","18.6464","0.0005","107.952","0.001","93.871","0.001","103.428","0.001","1674.43","0.08","293","2","293","2","","","","","","","","6","P -1","-P 1","2","","","","- C34 H24 Mo N4 P2 S4 -","- C34 H24 Mo N4 P2 S4 -","- C68 H48 Mo2 N8 P4 S8 -","2","1","","Khatua, Suman; Naskar, Tilak; Nandi, Chandan; Majumdar, Amit","Mononuclear Bis(dithiolene) Mo(IV) and W(IV) Complexes with P, P; S, S; O, S and O, O Donor Ligands: A Comparative Reactivity Study","New J. Chem.","2017","","","","","10.1039/C7NJ01797A","","x-ray","0.71073","MoKα","","0.0332","0.0261","","","0.0569","0.0601","","","","","","0.998","","","","has coordinates","199429","2020-10-21","18:00:00",""
"7056479","8.6214","0.001","11.5287","0.0014","18.619","0.002","107.697","0.002","93.475","0.002","102.941","0.002","1701.7","0.3","293","2","293","2","","","","","","","","6","P -1","-P 1","2","","","","- C34 H24 N4 P2 S4 W -","- C34 H24 N4 P2 S4 W -","- C68 H48 N8 P4 S8 W2 -","2","1","","Khatua, Suman; Naskar, Tilak; Nandi, Chandan; Majumdar, Amit","Mononuclear Bis(dithiolene) Mo(IV) and W(IV) Complexes with P, P; S, S; O, S and O, O Donor Ligands: A Comparative Reactivity Study","New J. Chem.","2017","","","","","10.1039/C7NJ01797A","","x-ray","0.71073","MoKα","","0.0367","0.0331","","","0.0871","0.0891","","","","","","1.029","","","","has coordinates","199429","2020-10-21","18:00:00",""
"7056480","30.763","0.006","12.851","0.002","14.243","0.002","90","","103.561","0.007","90","","5473.8","1.6","293","2","293","2","","","","","","","","7","C 1 2/c 1","-C 2yc","15","","","","- C62 H44 Mo N4 O2 P2 S4 -","- C62 H44 Mo N4 O2 P2 S4 -","- C248 H176 Mo4 N16 O8 P8 S16 -","4","0.5","","Khatua, Suman; Naskar, Tilak; Nandi, Chandan; Majumdar, Amit","Mononuclear Bis(dithiolene) Mo(IV) and W(IV) Complexes with P, P; S, S; O, S and O, O Donor Ligands: A Comparative Reactivity Study","New J. Chem.","2017","","","","","10.1039/C7NJ01797A","","x-ray","0.71073","MoKα","","0.0714","0.0438","","","0.1068","0.1218","","","","","","1.062","","","","has coordinates","199429","2020-10-21","18:00:00",""
"7056481","10.404","0.003","18.184","0.005","22.548","0.006","109.721","0.006","90.165","0.007","90.075","0.006","4015.5","1.9","293","2","293","2","","","","","","","","7","P -1","-P 1","2","","","","- C86 H64 Mo N6 O P4 S5 -","- C86 H64 Mo N6 O P4 S5 -","- C172 H128 Mo2 N12 O2 P8 S10 -","2","1","","Khatua, Suman; Naskar, Tilak; Nandi, Chandan; Majumdar, Amit","Mononuclear Bis(dithiolene) Mo(IV) and W(IV) Complexes with P, P; S, S; O, S and O, O Donor Ligands: A Comparative Reactivity Study","New J. Chem.","2017","","","","","10.1039/C7NJ01797A","","x-ray","0.71073","MoKα","","0.1304","0.0687","","","0.1883","0.2344","","","","","","0.93","","","","has coordinates,has disorder","199429","2020-10-21","18:00:00",""
"7056482","17.743","0.003","10.571","0.002","22.759","0.004","90","","109.368","0.005","90","","4027.1","1.2","293","2","293","2","","","","","","","","6","P 1 2/n 1","-P 2yac","13","","","","- C86 H64 Mo N6 P4 S6 -","- C86 H64 Mo N6 P4 S6 -","- C172 H128 Mo2 N12 P8 S12 -","2","0.5","","Khatua, Suman; Naskar, Tilak; Nandi, Chandan; Majumdar, Amit","Mononuclear Bis(dithiolene) Mo(IV) and W(IV) Complexes with P, P; S, S; O, S and O, O Donor Ligands: A Comparative Reactivity Study","New J. Chem.","2017","","","","","10.1039/C7NJ01797A","","x-ray","0.71073","MoKα","","0.0939","0.0611","","","0.1445","0.1576","","","","","","1.036","","","","has coordinates","199429","2020-10-21","18:00:00",""
"7056483","13.598","0.004","14.966","0.006","17.006","0.007","76.159","0.013","66.478","0.007","63.077","0.007","2822.1","1.8","293","2","293","2","","","","","","","","7","P -1","-P 1","2","","","","- C62 H44 N4 O P2 S5 W -","- C62 H44 N4 O P2 S5 W -","- C124 H88 N8 O2 P4 S10 W2 -","2","1","","Khatua, Suman; Naskar, Tilak; Nandi, Chandan; Majumdar, Amit","Mononuclear Bis(dithiolene) Mo(IV) and W(IV) Complexes with P, P; S, S; O, S and O, O Donor Ligands: A Comparative Reactivity Study","New J. Chem.","2017","","","","","10.1039/C7NJ01797A","","x-ray","0.71073","MoKα","","0.208","0.0947","","","0.2125","0.2751","","","","","","1","","","","has coordinates,has disorder","199429","2020-10-21","18:00:00",""
"7056484","9.1372","0.0005","10.2407","0.0004","10.3976","0.0005","69.466","0.002","80.191","0.002","70.859","0.002","859.05","0.07","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","ethyl 6-methoxy-4-(phenylselanyl)quinoline-2-carboxylate","","- C19 H17 N O3 Se -","- C19 H17 N O3 Se -","- C38 H34 N2 O6 Se2 -","2","1","","Stefani, Helio A.; Oliveira, Isadora M.; Vaconcelos, Stanley N. S.; Barbeiro, Cristiane S.; Carita Correra, Thiago; Shamim, Anwar; Pimenta, Daniel C.; Caracelli, Ignez; Zukerman-Schpector, Julio; Manarin, Flavia G.","Ytterbium(III)-Catalyzed Three-Component Reactions: Synthesis of 4-Organoselenium-quinolines and Application in Copper-free Sonogashira Cross-coupling Reactions","New J. Chem.","2017","","","","","10.1039/C7NJ01803G","","","0.71073","MoKα","","0.0404","0.0324","","","0.0774","0.0812","","","","","","1.047","","","","has coordinates","199453","2020-10-21","18:00:00",""
"7056485","8.2169","0.0005","9.1554","0.0005","11.7431","0.0007","94.646","0.002","108.461","0.002","96.454","0.002","826.25","0.08","293","2","293","2","","","","","","","","4","P -1","-P 1","2","","Ethyl 4-(3-hydroxy-3-methylbut-1-yn-1-yl)-6-methoxyquinoline-2-carboxylate","","- C18 H19 N O4 -","- C18 H19 N O4 -","- C36 H38 N2 O8 -","2","1","","Stefani, Helio A.; Oliveira, Isadora M.; Vaconcelos, Stanley N. S.; Barbeiro, Cristiane S.; Carita Correra, Thiago; Shamim, Anwar; Pimenta, Daniel C.; Caracelli, Ignez; Zukerman-Schpector, Julio; Manarin, Flavia G.","Ytterbium(III)-Catalyzed Three-Component Reactions: Synthesis of 4-Organoselenium-quinolines and Application in Copper-free Sonogashira Cross-coupling Reactions","New J. Chem.","2017","","","","","10.1039/C7NJ01803G","","","0.71073","MoKα","","0.0478","0.0432","","","0.1213","0.1261","","","","","","1.079","","","","has coordinates","199453","2020-10-21","18:00:00",""
"7056486","8.3219","0.0006","11.248","0.0009","18.4098","0.0014","90","","98.7126","0.0011","90","","1703.4","0.2","295","2","295","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","r4","","- C17 H19 N3 O3 Pd S -","- C17 H19 N3 O3 Pd S -","- C68 H76 N12 O12 Pd4 S4 -","4","1","","karami, kazem; Hosseini-Kharat, Mahboubeh; Saeidifar, Maryam; Rizzoli, Corrado; Zahedi-Nasab, Reza; Sohrabijam, Zahra; Sharifi, Tayebeh","Novel Pd(II) CNO pincer complex of MR (methyl red): synthesis, crystal structure, interaction with human serum albumin (HSA) in vitro and molecular docking","New J. Chem.","2017","","","","","10.1039/C7NJ01415E","","","0.71073","MoKα","","0.0307","0.0275","","","0.0766","0.0794","","","","","","1.067","","","","has coordinates","288505","2023-12-22","15:12:03",""
"7056487","11.242","0.003","21.784","0.006","19.117","0.004","90","","92.349","0.006","90","","4678","2","113","2","113","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C39 H44 Cl2 F9 Gd N6 O10 -","- C38 H42 F9 Gd N6 O10 -","- C152 H168 F36 Gd4 N24 O40 -","4","1","","Li, Hongdao; Sun, Juan; Yang, Meng; Sun, Zan; Xie, Jing; Ma, Yue; Li, Licun","Functionalized nitronyl nitroxide biradical bridged one-dimensional lanthanide chains: slow magnetic relaxation in the Tb and Dy analogues","New J. Chem.","2017","","","","","10.1039/C7NJ02006F","","","0.71073","MoKα","","0.0454","0.0412","","","0.1171","0.1203","","","","","","1.053","","","","has coordinates,has disorder","199491","2020-10-21","18:00:00",""
"7056488","11.256","0.003","21.853","0.004","19.166","0.004","90","","91.882","0.005","90","","4711.9","1.8","113","2","113","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C39 H44 Cl2 F9 N6 Nd O10 -","- C38 H42 F9 N6 Nd O10 -","- C152 H168 F36 N24 Nd4 O40 -","4","1","","Li, Hongdao; Sun, Juan; Yang, Meng; Sun, Zan; Xie, Jing; Ma, Yue; Li, Licun","Functionalized nitronyl nitroxide biradical bridged one-dimensional lanthanide chains: slow magnetic relaxation in the Tb and Dy analogues","New J. Chem.","2017","","","","","10.1039/C7NJ02006F","","","0.71073","MoKα","","0.0641","0.0484","","","0.1406","0.1552","","","","","","1.011","","","","has coordinates,has disorder","199491","2020-10-21","18:00:00",""
"7056489","11.3722","0.0001","21.8154","0.0002","19.077","0.0002","90","","92.333","0.001","90","","4728.87","0.08","113","2","113","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C39 H44 Cl2 Dy F9 N6 O10 -","- C38 H41.5 Dy F9 N6 O10 -","- C152 H166 Dy4 F36 N24 O40 -","4","1","","Li, Hongdao; Sun, Juan; Yang, Meng; Sun, Zan; Xie, Jing; Ma, Yue; Li, Licun","Functionalized nitronyl nitroxide biradical bridged one-dimensional lanthanide chains: slow magnetic relaxation in the Tb and Dy analogues","New J. Chem.","2017","","","","","10.1039/C7NJ02006F","","","1.54178","CuKα","","0.0551","0.0513","","","0.1509","0.1538","","","","","","1.038","","","","has coordinates,has disorder","199491","2020-10-21","18:00:00",""
"7056490","11.3578","0.0003","21.8234","0.0004","19.0928","0.0003","90","","92.349","0.002","90","","4728.48","0.17","113","2","113","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C39 H44 Cl2 F9 N6 O10 Tb -","- C38 H42 F9 N6 O10 Tb -","- C152 H168 F36 N24 O40 Tb4 -","4","1","","Li, Hongdao; Sun, Juan; Yang, Meng; Sun, Zan; Xie, Jing; Ma, Yue; Li, Licun","Functionalized nitronyl nitroxide biradical bridged one-dimensional lanthanide chains: slow magnetic relaxation in the Tb and Dy analogues","New J. Chem.","2017","","","","","10.1039/C7NJ02006F","","","1.54178","CuKα","","0.0881","0.0679","","","0.1786","0.1946","","","","","","1.001","","","","has coordinates,has disorder","199491","2020-10-21","18:00:00",""
"7056491","13.2741","0.0003","14.1583","0.0003","15.4049","0.0004","116.5","0.002","92.908","0.002","114.528","0.002","2256.01","0.12","293","2","293","2","","","","","","","","6","P -1","-P 1","2","","","","- C37 H47 N9 O8 Pd3 S3 -","- C36.9999 H46.9997 N9 O8 Pd3 S3 -","- C73.9998 H93.9994 N18 O16 Pd6 S6 -","2","1","","Arumugam, Shanmugapriya; Jain, Ruchi; Devaraj, Sabarinathan; Giriraj, Kalaiarasi; Dallemer, Frederic; Prabhakaran, Rathinasabapathi","Structurally different mono, bi and trinuclear Pd(II) complexes and their DNA/Protein interaction, DNA cleavage, anti-oxidant, anti-microbial and cytotoxicity studies","New J. Chem.","2017","","","","","10.1039/C7NJ01556A","","x-ray","0.71073","MoKα","","0.0667","0.043","","","0.0893","0.1019","","","","","","1.052","","","","has coordinates,has disorder","204135","2020-10-21","18:00:00",""
"7056492","10.5318","0.0003","11.2368","0.0004","11.4307","0.0003","93.946","0.002","98.609","0.002","107.392","0.003","1267.08","0.07","293","2","293","2","","","","","","","","7","P -1","-P 1","2","","","","- C25 H21 N3 O2 P Pd S -","- C25 H21 N3 O2 P Pd S -","- C50 H42 N6 O4 P2 Pd2 S2 -","2","1","","Arumugam, Shanmugapriya; Jain, Ruchi; Devaraj, Sabarinathan; Giriraj, Kalaiarasi; Dallemer, Frederic; Prabhakaran, Rathinasabapathi","Structurally different mono, bi and trinuclear Pd(II) complexes and their DNA/Protein interaction, DNA cleavage, anti-oxidant, anti-microbial and cytotoxicity studies","New J. Chem.","2017","","","","","10.1039/C7NJ01556A","","x-ray","0.71073","MoKα","","0.0525","0.0391","","","0.0942","0.1018","","","","","","1.042","","","","has coordinates,has disorder","204135","2020-10-21","18:00:00",""
"7056493","10.5084","0.0002","17.0591","0.0004","16.5361","0.0003","90","","96.126","0.002","90","","2947.4","0.1","293","2","293","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C30 H26 N6 O4 Pd S2 -","- C30 H26 N6 O4 Pd S2 -","- C120 H104 N24 O16 Pd4 S8 -","4","1","","Arumugam, Shanmugapriya; Jain, Ruchi; Devaraj, Sabarinathan; Giriraj, Kalaiarasi; Dallemer, Frederic; Prabhakaran, Rathinasabapathi","Structurally different mono, bi and trinuclear Pd(II) complexes and their DNA/Protein interaction, DNA cleavage, anti-oxidant, anti-microbial and cytotoxicity studies","New J. Chem.","2017","","","","","10.1039/C7NJ01556A","","x-ray","0.71073","MoKα","","0.0542","0.0351","","","0.0715","0.0797","","","","","","1.047","","","","has coordinates","204135","2020-10-21","18:00:00",""
"7056494","7.977","0.0012","27.642","0.004","9.1543","0.0013","90","","107.212","0.003","90","","1928.1","0.5","255","","255","","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C25 H21 N3 O3 -","- C25 H21 N3 O3 -","- C100 H84 N12 O12 -","4","1","","Wani, Manzoor Ahmad; Thakur, Neha; Pandey, Mrituanjay D.; Pandey, Rampal","A reusable multichannel anthraimidazoledione based receptor for Hg2+ and Cu2+ ions: Ultrasensitive, economical and facile detection of Hg2+ in real water sources through fluorescence readout","New J. Chem.","2017","","","","","10.1039/C7NJ02097J","","","0.71073","","","0.067393","0.056083","","","","0.178031","","","","","","1.20264","","","","has coordinates","199507","2020-10-21","18:00:00",""
"7056495","10.5031","0.0008","18.0711","0.0013","18.3906","0.0013","66.8","0.003","73.533","0.004","85.947","0.004","3073.4","0.4","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","","","- C84 H58 Er2 N6 O8 -","- C84 H54 Er2 N6 O8 -","- C168 H108 Er4 N12 O16 -","2","1","","Gholizadeh Dogaheh, Samira; Khanmohammadi, Hamid; Sañudo, E. Carolina","Double decker luminescent Ytterbium and Erbium SMMs with symmetric and asymmetric Schiff base ligands","New J. Chem.","2017","","","","","10.1039/C7NJ01842H","","","0.71073","MoKα","","0.0467","0.0329","","","0.0769","0.0835","","","","","","1.039","","","","has coordinates","199508","2020-10-21","18:00:00",""
"7056496","10.4575","0.0004","18.0686","0.0006","18.4181","0.0006","66.674","0.002","73.605","0.002","85.41","0.002","3063.77","0.19","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","","","- C84 H58 N6 O8 Yb2 -","- C84 H54 N6 O8 Yb2 -","- C168 H108 N12 O16 Yb4 -","2","1","","Gholizadeh Dogaheh, Samira; Khanmohammadi, Hamid; Sañudo, E. Carolina","Double decker luminescent Ytterbium and Erbium SMMs with symmetric and asymmetric Schiff base ligands","New J. Chem.","2017","","","","","10.1039/C7NJ01842H","","","0.71073","MoKα","","0.0786","0.0451","","","0.0867","0.0984","","","","","","0.953","","","","has coordinates","199508","2020-10-21","18:00:00",""
"7056497","13.6388","0.0008","25.3478","0.0013","31.3489","0.0016","90","","101.535","0.003","90","","10618.8","1","100","2","100","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C256 H191 N35 O28 Yb6 -","- C256 H191 N35 O28 Yb6 -","- C512 H382 N70 O56 Yb12 -","2","0.5","","Gholizadeh Dogaheh, Samira; Khanmohammadi, Hamid; Sañudo, E. Carolina","Double decker luminescent Ytterbium and Erbium SMMs with symmetric and asymmetric Schiff base ligands","New J. Chem.","2017","","","","","10.1039/C7NJ01842H","","","1.5478","","","0.1182","0.0614","","","0.1414","0.1673","","","","","","1.021","","","","has coordinates,has disorder","199508","2020-10-21","18:00:00",""
"7056498","13.5774","0.0017","25.425","0.003","30.838","0.004","90","","102.553","0.008","90","","10391","2","100","2","100","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C126 H91 Er3 N14 O16 -","- C126 H89 Er3 N14 O16 -","- C504 H356 Er12 N56 O64 -","4","1","","Gholizadeh Dogaheh, Samira; Khanmohammadi, Hamid; Sañudo, E. Carolina","Double decker luminescent Ytterbium and Erbium SMMs with symmetric and asymmetric Schiff base ligands","New J. Chem.","2017","","","","","10.1039/C7NJ01842H","","","0.71073","MoKα","","0.1453","0.0744","","","0.1723","0.213","","","","","","1.081","","","","has coordinates","199508","2020-10-21","18:00:00",""
"7056499","10.1601","0.0008","12.4693","0.0014","17.1951","0.0011","91.449","0.007","98.769","0.006","113.892","0.009","1959.3","0.3","120","2","120","2","","","","","","","","6","P -1","-P 1","2","","","","- C80 H68 Cu4 F8 N20 O12 -","- C80 H68 Cu4 F8 N20 O12 -","- C80 H68 Cu4 F8 N20 O12 -","1","0.5","","Parween, Arfa; Naskar, Sumita; Mota, Antonio J.; Espinosa, Arturo; Chattopadhyay, Shyamal Kumar; Riviere, Eric; Lewis, William; Naskar, Subhendu","Ci-symmetry, [2 ×2] grid, square copper complex with the N4,N5-bis(4-fluorophenyl)-1H-imidazole-4,5-dicarboxamide ligand: structure, catecholase activity, magnetic properties and DFT calculations","New J. Chem.","2017","","","","","10.1039/C7NJ01667K","","x-ray","1.54184","CuKα","","0.0433","0.0356","","","0.092","0.0972","","","","","","1.028","","","","has coordinates","199509","2020-10-21","18:00:00",""
"7056500","10.8289","0.0003","12.9518","0.0004","20.3412","0.0006","90","","90","","90","","2852.93","0.15","173","2","173","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","1-tert-Butyl 2-methyl 7-oxoazepane-1,2-dicarboxylate","","- C13 H21 N O5 -","- C13 H21 N O5 -","- C104 H168 N8 O40 -","8","1","","Weck, Christian; Obst, Franziska; Nauha, Elisa; Schofield, Christopher J.; Gruber, Tobias","Synthesis of a bicyclic oxo-γ-lactam from a simple caprolactam derivative","New J. Chem.","2017","","","","","10.1039/C7NJ02348K","","","1.54178","CuKα","","0.0395","0.0369","","","0.0956","0.0979","","","","","","1.046","","","","has coordinates","199550","2020-10-21","18:00:00",""
"7056501","6.1511","0.0006","6.3794","0.0007","17.526","0.0018","88.877","0.005","80.145","0.005","82.187","0.005","671.28","0.12","173","2","173","2","","","","","","","","4","P -1","-P 1","2","","tert-Butyl 7,8-dioxo-6-azabicyclo[3.2.1]octane-6-carboxylate","","- C12 H19 N O5 -","- C12 H19 N O5 -","- C24 H38 N2 O10 -","2","1","","Weck, Christian; Obst, Franziska; Nauha, Elisa; Schofield, Christopher J.; Gruber, Tobias","Synthesis of a bicyclic oxo-γ-lactam from a simple caprolactam derivative","New J. Chem.","2017","","","","","10.1039/C7NJ02348K","","","1.54178","CuKα","","0.0738","0.0677","","","0.1764","0.1859","","","","","","1.061","","","","has coordinates","199550","2020-10-21","18:00:00",""
"7056502","23.4764","0.0007","23.4764","0.0007","12.156","0.0006","90","","90","","120","","5802.1","0.4","296","","296","","","","","","","","","8","P -3","-P 3","147","","","","- C36 H27 La8 N6 Nb9 O172 Si3 W27 -","- C36 H24 La8 N6 Nb9 O178 Si3 W27 -","- C36 H24 La8 N6 Nb9 O178 Si3 W27 -","1","0.166667","","Yang, Mei-Si; Chen, Wei-Chao; Qin, Chao; Yao, Wei; Yin, Ying-Xue; Su, Zhong-Min","An Unprecedented 3D Architecture Based on Nb/W Mixed-Addendum Polyoxometalate and Lanthanide-Organic Complex: Synthesis, Crystal Structure and Properties","New J. Chem.","2017","","","","","10.1039/C7NJ02011B","","x-ray","0.71073","MoKα","K-L~3~","0.0739","0.0615","","","0.1436","0.1497","","","","","","1.08","","","","has coordinates,has disorder","199551","2020-10-21","18:00:00",""
"7056503","14.094","0.005","15.243","0.005","22.026","0.005","80.802","0.005","87.439","0.005","70.886","0.005","4413","2","293","2","293","2","","","","","","","","7","P -1","-P 1","2","3","3","","- C84 H100 Cu N28 O134 P4 W36 -","- C84 H66 Cu N28 O134 P4 W36 -","- C84 H66 Cu N28 O134 P4 W36 -","1","0.5","","Li, Shaobin; Zhang, Li; Chai, Dong Feng; Pang, Haijun; Ma, Huiyuan","Self-assembly of polyoxometalate-based hybrid aggregates: from monomer to dimer via changing pH value of reaction systems","New J. Chem.","2017","","","","","10.1039/C7NJ02475D","","","0.71069","MoKα","","0.0812","0.0579","","","0.1471","0.1639","","","","","","1.011","","","","has coordinates","199659","2020-10-21","18:00:00",""
"7056504","14.759","0.005","15.355","0.005","23.09","0.005","83.404","0.005","84.68","0.005","69.636","0.005","4865","3","293","2","293","2","","","","","","","","7","P -1","-P 1","2","1","1","","- C48 H56 Cu N16 O68 P2 W18 -","- C48 H40 Cu N16 O64 P2 W18 -","- C96 H80 Cu2 N32 O128 P4 W36 -","2","1","","Li, Shaobin; Zhang, Li; Chai, Dong Feng; Pang, Haijun; Ma, Huiyuan","Self-assembly of polyoxometalate-based hybrid aggregates: from monomer to dimer via changing pH value of reaction systems","New J. Chem.","2017","","","","","10.1039/C7NJ02475D","","","0.71069","MoKα","","0.0625","0.0434","","","0.1139","0.121","","","","","","0.97","","","","has coordinates","199659","2020-10-21","18:00:00",""
"7056505","14.902","0.005","22.953","0.005","28.479","0.005","90","0.005","99.402","0.005","90","0.005","9610","4","293","2","293","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","2","2","","- C96 H114 Cu2 N32 O137 P4 W36 -","- C96 H80 Cu2 N32 O128 P4 W36 -","- C192 H160 Cu4 N64 O256 P8 W72 -","2","0.5","","Li, Shaobin; Zhang, Li; Chai, Dong Feng; Pang, Haijun; Ma, Huiyuan","Self-assembly of polyoxometalate-based hybrid aggregates: from monomer to dimer via changing pH value of reaction systems","New J. Chem.","2017","","","","","10.1039/C7NJ02475D","","","0.71069","MoKα","","0.0606","0.043","","","0.1119","0.1183","","","","","","1.058","","","","has coordinates","199659","2020-10-21","18:00:00",""
"7056506","9.789","0.005","11.682","0.005","17.495","0.005","100.545","0.005","101.652","0.005","106.138","0.005","1820.4","1.3","293","2","293","2","","","","","","","","6","P -1","-P 1","2","","","","- C43 H30 Cl N7 O5 Ru -","- C43 H30 Cl N7 O5 Ru -","- C86 H60 Cl2 N14 O10 Ru2 -","2","1","","Patra, Shanti G.; Zangrando, Ennio; Datta, Dipankar","Effect of ancillary ligand proton on the photophysical properties of some RuIIN6 cores. A proton valve","New J. Chem.","2017","","","","","10.1039/C7NJ02274C","","","0.71073","MoKα","","0.0915","0.0493","","","0.1001","0.1181","","","","","","1.017","","","","has coordinates","199712","2020-10-21","18:00:00",""
"7056507","9.5224","0.0009","23.282","0.002","18.7461","0.0018","90","","102.086","0.004","90","","4063.9","0.7","293","2","293","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C39 H33 Cl2 N7 O10 Ru -","- C39 H33 Cl2 N7 O10 Ru -","- C156 H132 Cl8 N28 O40 Ru4 -","4","1","","Patra, Shanti G.; Zangrando, Ennio; Datta, Dipankar","Effect of ancillary ligand proton on the photophysical properties of some RuIIN6 cores. A proton valve","New J. Chem.","2017","","","","","10.1039/C7NJ02274C","","","0.71073","MoKα","","0.0672","0.0485","","","0.1168","0.125","","","","","","1.042","","","","has coordinates","199712","2020-10-21","18:00:00",""
"7056508","17.0179","0.0004","17.0179","0.0004","12.9851","0.0004","90","","90","","90","","3760.6","0.17","298","2","298","2","","","","","","","","5","P 42/n","-P 4bc","86","","","","- C68 H104 Co3 N16 O12 -","- C68 H104 Co3 N16 O12 -","- C136 H208 Co6 N32 O24 -","2","","","Panja, Anangamohan; Jana, Narayan Ch.; Brandão, Paula","Influence of the first and second coordination spheres on the diverse phenoxazinone synthase activity of cobalt complexes derived from a tetradentate Schiff base ligand","New J. Chem.","2017","","","","","10.1039/C7NJ02015E","","","0.71073","MoKα","","0.0738","0.0391","","","0.0858","0.096","","","","","","1.048","","","","has coordinates","199713","2020-10-21","18:00:00",""
"7056509","18.977","0.003","11.8646","0.0017","21.938","0.003","90","","108.078","0.004","90","","4695.6","1.2","150","2","150","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C37 H54 Co2 N11 O4 S5 -","- C37 H54 Co2 N11 O4 S5 -","- C148 H216 Co8 N44 O16 S20 -","4","1","","Panja, Anangamohan; Jana, Narayan Ch.; Brandão, Paula","Influence of the first and second coordination spheres on the diverse phenoxazinone synthase activity of cobalt complexes derived from a tetradentate Schiff base ligand","New J. Chem.","2017","","","","","10.1039/C7NJ02015E","","","0.71073","MoKα","","0.0862","0.0549","","","0.1409","0.1767","","","","","","1.108","","","","has coordinates","199713","2020-10-21","18:00:00",""
"7056510","25.636","0.003","10.3538","0.0004","19.712","0.002","90","","126.446","0.016","90","","4208.8","1.1","298","2","298","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C34 H55 Co2 N19 O4 -","- C34 H55 Co2 N19 O4 -","- C136 H220 Co8 N76 O16 -","4","0.5","","Panja, Anangamohan; Jana, Narayan Ch.; Brandão, Paula","Influence of the first and second coordination spheres on the diverse phenoxazinone synthase activity of cobalt complexes derived from a tetradentate Schiff base ligand","New J. Chem.","2017","","","","","10.1039/C7NJ02015E","","","0.71073","MoKα","","0.0507","0.0407","","","0.0972","0.103","","","","","","1.039","","","","has coordinates","199713","2020-10-21","18:00:00",""
"7056511","7.9958","0.0004","10.1437","0.0005","13.4435","0.0007","85.118","0.002","83.482","0.002","89.535","0.002","1079.38","0.09","150","2","150","2","","","","","","","","6","P -1","-P 1","2","","","","- C36 H54 Co2 N10 O5 S4 -","- C36 H53 Co2 N10 O4.5 S4 -","- C36 H53 Co2 N10 O4.5 S4 -","1","0.5","","Panja, Anangamohan; Jana, Narayan Ch.; Brandão, Paula","Influence of the first and second coordination spheres on the diverse phenoxazinone synthase activity of cobalt complexes derived from a tetradentate Schiff base ligand","New J. Chem.","2017","","","","","10.1039/C7NJ02015E","","","0.71073","MoKα","","0.0313","0.0251","","","0.0631","0.0661","","","","","","1.033","","","","has coordinates","199713","2020-10-21","18:00:00",""
"7056512","9.7679","0.0002","13.1943","0.0005","15.3233","0.0006","67.616","0.004","73.07","0.003","70.037","0.003","1686.57","0.11","100","0.1","100","0.1","","","","","","","","8","P -1","-P 1","2","","","","- C69 H64 Cl2 F12 N4 O6 P4 Ru2 -","- C69 H64 Cl2 F12 N4 O6 P4 Ru2 -","- C69 H64 Cl2 F12 N4 O6 P4 Ru2 -","1","0.5","","Pandiyan, T.; Hernandez, Jose Hernandez; Huerta Aguilar, Carlos Alberto; Höpfl, Herbert","Ruthenium(III) complex derived from N,N´-bis(salicylidene)ethylenediamine as chemosensor for the selective recognition of acetate and its interaction with cells for bio-imaging: Experimental and theoretical studies","New J. Chem.","2017","","","","","10.1039/C7NJ01591G","","x-ray","0.71073","MoKα","","0.0768","0.0737","","","0.1785","0.1813","","","","","","1.194","","","","has coordinates,has disorder","199760","2020-10-21","18:00:00",""
"7056513","9.0434","0.0001","23.9537","0.0005","12.3526","0.0002","90","","102.996","0.0012","90","","2607.32","0.08","150","1","150","1","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C18 H25 Cu F6 N5 O6 S2 -","- C18 H25 Cu F6 N5 O6 S2 -","- C72 H100 Cu4 F24 N20 O24 S8 -","4","1","","Pal, Sarit; Islam, Md Tariqul; Moore, James T.; Reyes, Jesus; Pardo, Andrew; Varela-Ramirez, Armando; Noveron, Juan","Self-assembly of a novel Cu (II) co-ordination complex forms metallo-vesicles that are able to transfect mammalian cells","New J. Chem.","2017","","","","","10.1039/C7NJ02161E","","","0.71073","MoKα","","0.0495","0.0368","","","0.0853","0.093","","","","","","1.032","","","","has coordinates","199791","2020-10-21","18:00:00",""
"7056514","12.1381","0.0005","12.9005","0.0005","15.6604","0.0006","104.149","0.002","90.794","0.002","107.642","0.002","2255.71","0.16","295","","295","","","","","","","","","5","P -1","-P 1","2","","","","- C97 H94 Cl6 O16 Ru4 -","- C97 H94 Cl6 O16 Ru4 -","- C97 H94 Cl6 O16 Ru4 -","1","0.5","","Tsovaltzi, E.; Malamidou-Xenikaki, E.; Dalezis, P.; Hatzidimitriou, Antonios; Trafalis, D.; Lazarides, Theodore; Sarli, Vasiliki","Synthesis and Analysis of the Anticancer Activity of Ru(II) Complexes Incorporating 2-Hydroxymethylidene-indene-1,3-diones Ligands","New J. Chem.","2017","","","","","10.1039/C7NJ02162C","","","0.71073","MoKα","","0.0969","0.0451","","0.0834","0.0786","0.0786","","","","","","0.9999","","","","has coordinates","199792","2020-10-21","18:00:00",""
"7056515","9.3961","0.001","14.3704","0.0015","18.598","0.002","99.204","0.005","91.117","0.005","94.615","0.005","2469.5","0.5","295","","295","","","","","","","","","5","P -1","-P 1","2","","","","- C26 H29 Cl O4 Ru -","- C26 H29 Cl O4 Ru -","- C104 H116 Cl4 O16 Ru4 -","4","2","","Tsovaltzi, E.; Malamidou-Xenikaki, E.; Dalezis, P.; Hatzidimitriou, Antonios; Trafalis, D.; Lazarides, Theodore; Sarli, Vasiliki","Synthesis and Analysis of the Anticancer Activity of Ru(II) Complexes Incorporating 2-Hydroxymethylidene-indene-1,3-diones Ligands","New J. Chem.","2017","","","","","10.1039/C7NJ02162C","","","0.71073","MoKα","","0.0624","0.0386","","0.0988","0.0895","0.0895","","","","","","1.0001","","","","has coordinates,has disorder","199792","2020-10-21","18:00:00",""
"7056516","7.7108","0.0003","12.7742","0.0004","12.7925","0.0003","64.6825","0.0015","74.5158","0.0017","83.476","0.002","1097.68","0.06","295","","295","","","","","","","","","5","P -1","-P 1","2","","","","- C24 H25 Cl O4 Ru -","- C24 H25 Cl O4 Ru -","- C48 H50 Cl2 O8 Ru2 -","2","1","","Tsovaltzi, E.; Malamidou-Xenikaki, E.; Dalezis, P.; Hatzidimitriou, Antonios; Trafalis, D.; Lazarides, Theodore; Sarli, Vasiliki","Synthesis and Analysis of the Anticancer Activity of Ru(II) Complexes Incorporating 2-Hydroxymethylidene-indene-1,3-diones Ligands","New J. Chem.","2017","","","","","10.1039/C7NJ02162C","","","0.71073","MoKα","","0.037","0.0219","","0.05","0.0469","0.0469","","","","","","1","","","","has coordinates","199792","2020-10-21","18:00:00",""
"7056517","11.3428","0.0007","11.6272","0.0008","12.1199","0.0011","65.746","0.006","76.952","0.005","80.911","0.004","1415.9","0.2","295","","295","","","","","","","","","6","P -1","-P 1","2","","","","- C59 H54 Cl4 N2 O6 Ru2 -","- C59 H54 Cl4 N2 O6 Ru2 -","- C59 H54 Cl4 N2 O6 Ru2 -","1","0.5","","Tsovaltzi, E.; Malamidou-Xenikaki, E.; Dalezis, P.; Hatzidimitriou, Antonios; Trafalis, D.; Lazarides, Theodore; Sarli, Vasiliki","Synthesis and Analysis of the Anticancer Activity of Ru(II) Complexes Incorporating 2-Hydroxymethylidene-indene-1,3-diones Ligands","New J. Chem.","2017","","","","","10.1039/C7NJ02162C","","","0.71073","MoKα","","0.0882","0.0537","","0.1646","0.1469","0.1469","","","","","","1","","","","has coordinates","199792","2020-10-21","18:00:00",""
"7056518","17.786","0.008","10.318","0.005","19.201","0.009","90","","90","","90","","3524","3","296","2","296","2","","","","","","","","6","P b c a","-P 2ac 2ab","61","","","","- C18 H18 Cl Mn N2 O4 -","- C18 H18 Cl Mn N2 O4 -","- C144 H144 Cl8 Mn8 N16 O32 -","8","1","","Dolai, Malay; Mondal, Abhishake; Liu, Jun-Liang; Mahammad, Ali","Three novel mononuclear Mn(III) based magnetic materials with square pyramidal versus octahedral geometries","New J. Chem.","2017","","","","","10.1039/C7NJ02919E","","","0.71073","MoKα","","0.0984","0.0531","","","0.1091","0.1328","","","","","","1.066","","","","has coordinates","199809","2020-10-21","18:00:00",""
"7056519","18.1502","0.0008","10.0629","0.0004","20.4381","0.0009","90","","90","","90","","3732.9","0.3","273","2","273","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C18 H18 Mn N5 O4 -","- C18 H18 Mn N5 O4 -","- C144 H144 Mn8 N40 O32 -","8","1","","Dolai, Malay; Mondal, Abhishake; Liu, Jun-Liang; Mahammad, Ali","Three novel mononuclear Mn(III) based magnetic materials with square pyramidal versus octahedral geometries","New J. Chem.","2017","","","","","10.1039/C7NJ02919E","","","0.71073","MoKα","","0.1282","0.0634","","","0.1538","0.18","","","","","","1.032","","","","has coordinates","199809","2020-10-21","18:00:00",""
"7056520","11.997","0.0003","13.159","0.0004","22.969","0.0007","90","","90","","90","","3626.08","0.18","296","2","296","2","","","","","","","","6","P b c a","-P 2ac 2ab","61","","","","- C18 H20 Cl Mn N2 O5 -","- C18 H20 Cl Mn N2 O5 -","- C144 H160 Cl8 Mn8 N16 O40 -","8","1","","Dolai, Malay; Mondal, Abhishake; Liu, Jun-Liang; Mahammad, Ali","Three novel mononuclear Mn(III) based magnetic materials with square pyramidal versus octahedral geometries","New J. Chem.","2017","","","","","10.1039/C7NJ02919E","","","0.71073","MoKα","","0.0526","0.0388","","","0.1035","0.1126","","","","","","1.054","","","","has coordinates","199809","2020-10-21","18:00:00",""
"7056521","10.697","0.004","15.165","0.006","14.304","0.004","90","","129.741","0.012","90","","1784.2","1.1","100","2","100","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","(1,5-Cyclooctadiene)-bis(N,N'-dimethylthiourea)-iridium(IV)","","- C14 H26 Cl Ir N4 S2 -","- C14 H26 Cl Ir N4 S2 -","- C56 H104 Cl4 Ir4 N16 S8 -","4","1","","Kumar, Sumit; Purcell, Walter; Conradie, Jeanet; Bragg, Robert; Langner, Ernst Hendrik","Synthesis, characterization, computational and antimicrobial activities of a novel iridium thiourea complex","New J. Chem.","2017","","","","","10.1039/C7NJ02019H","","","0.71073","MoKα","","0.0243","0.0212","","","0.0494","0.051","","","","","","1.06","","","","has coordinates","199833","2020-10-21","18:00:00",""
"7056522","13.7585","0.0006","12.5082","0.0004","15.7328","0.0006","90","","110.107","0.004","90","","2542.5","0.18","293","2","293","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C27 H30 I N3 O Zn -","- C27 H30 I N3 O Zn -","- C108 H120 I4 N12 O4 Zn4 -","4","1","","Alaji, Z.; Safaei, E.; Wojtczak, A.","Development of pyridine based o-aminophenolate zinc complexes as structurally tunable catalysts for CO2 fixation into cyclic carbonates","New J. Chem.","2017","","","","","10.1039/C7NJ01656E","","","0.71073","MoKα","","0.0493","0.0284","","","0.0569","0.0601","","","","","","0.918","","","","has coordinates","199834","2020-10-21","18:00:00",""
"7056523","10.1927","0.0013","10.2059","0.0012","14.7907","0.0019","94.834","0.01","98.779","0.011","114.583","0.012","1363.9","0.3","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C29 H34 N3 O3.5 Zn -","- C29 H34 N3 O3.5 Zn -","- C58 H68 N6 O7 Zn2 -","2","1","","Alaji, Z.; Safaei, E.; Wojtczak, A.","Development of pyridine based o-aminophenolate zinc complexes as structurally tunable catalysts for CO2 fixation into cyclic carbonates","New J. Chem.","2017","","","","","10.1039/C7NJ01656E","","","0.71073","MoKα","","0.0851","0.0611","","","0.1653","0.2128","","","","","","1.069","","","","has coordinates","199834","2020-10-21","18:00:00",""
"7056524","7.9476","0.0003","11.5809","0.0005","14.2737","0.0006","83.054","0.004","76.725","0.004","89.507","0.003","1269.02","0.09","293","2","293","2","","","","","","","","6","P -1","-P 1","2","","","","- C27 H30 Br N3 O Zn -","- C27 H30 Br N3 O Zn -","- C54 H60 Br2 N6 O2 Zn2 -","2","1","","Alaji, Z.; Safaei, E.; Wojtczak, A.","Development of pyridine based o-aminophenolate zinc complexes as structurally tunable catalysts for CO2 fixation into cyclic carbonates","New J. Chem.","2017","","","","","10.1039/C7NJ01656E","","","0.71073","MoKα","","0.0639","0.0375","","","0.0796","0.0859","","","","","","0.882","","","","has coordinates","199834","2020-10-21","18:00:00",""
"7056525","21.8983","0.0008","21.8983","0.0008","21.2428","0.0008","90","","90","","120","","8821.9","0.6","150","2","150","2","","","","","","","","3","R -3 :H","-R 3","148","","","","- C23 H20.5 O4.25 -","- C23 H20 O4.25 -","- C414 H360 O76.5 -","18","1","","talhi, oualid; Abdeldjebar, Hasnia; Belmiloud, Yamina; Hassaine, Ridha; Taibi, Nadia; Valega, Monica; Almeida Paz, Filipe Alexandre; Brahimi, Meziane; Bachari, Khaldoun; Silva, Artur M. S.","Organobase Catalysed One-pot Exo-selective Synthesis of meso-Spiro[Cyclohexanone-Pyrandione] Derivatives","New J. Chem.","2017","","","","","10.1039/C7NJ02168B","","","0.71073","MoKα","","0.0928","0.0603","","","0.1786","0.2048","","","","","","1.06","","","","has coordinates,has disorder","199847","2020-10-21","18:00:00",""
"7056526","14.1989","0.0003","6.3206","0.0001","24.271","0.0005","90","","96.751","0.002","90","","2163.11","0.07","100","2","100","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C25 H24 O6 -","- C25 H24 O6 -","- C100 H96 O24 -","4","1","","talhi, oualid; Abdeldjebar, Hasnia; Belmiloud, Yamina; Hassaine, Ridha; Taibi, Nadia; Valega, Monica; Almeida Paz, Filipe Alexandre; Brahimi, Meziane; Bachari, Khaldoun; Silva, Artur M. S.","Organobase Catalysed One-pot Exo-selective Synthesis of meso-Spiro[Cyclohexanone-Pyrandione] Derivatives","New J. Chem.","2017","","","","","10.1039/C7NJ02168B","","","0.715","synchrotron","","0.0638","0.0632","","","0.1367","0.137","","","","","","1.063","","","","has coordinates,has disorder","199847","2020-10-21","18:00:00",""
"7056527","22.418","0.004","9.8837","0.0017","11.914","0.002","90","","93.04","0.005","90","","2636.1","0.8","180","2","180","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C31 H36 O4 -","- C31 H36 O4 -","- C124 H144 O16 -","4","1","","talhi, oualid; Abdeldjebar, Hasnia; Belmiloud, Yamina; Hassaine, Ridha; Taibi, Nadia; Valega, Monica; Almeida Paz, Filipe Alexandre; Brahimi, Meziane; Bachari, Khaldoun; Silva, Artur M. S.","Organobase Catalysed One-pot Exo-selective Synthesis of meso-Spiro[Cyclohexanone-Pyrandione] Derivatives","New J. Chem.","2017","","","","","10.1039/C7NJ02168B","","","0.71073","MoKα","","0.0864","0.0722","","","0.1838","0.1963","","","","","","1.029","","","","has coordinates","199847","2020-10-21","18:00:00",""
"7056528","9.4899","0.0016","13.113","0.002","13.165","0.002","110.046","0.012","102.423","0.011","94.908","0.011","1480.2","0.4","296","2","296","2","","","","","","","","4","P -1","-P 1","2","","","","- C32 H30 N6 O8 -","- C32 H30 N6 O8 -","- C64 H60 N12 O16 -","2","1","","Baruah, Jubaraj Bikash; Tarai, Arup","Competing phenol-imidazole and phenol-phenol interactions in flexible supramolecular environment of N,N'-bis(3-imidazol-1-yl-propyl)naphthalenediimide causing domain expansion","New J. Chem.","2017","","","","","10.1039/C7NJ02322G","","","0.71073","MoKα","","0.0942","0.0501","","","0.086","0.0993","","","","","","1.081","","","","has coordinates","199876","2020-10-21","18:00:00",""
"7056529","8.3794","0.0012","10.8125","0.0017","12.123","0.003","106.232","0.014","108.621","0.015","105.345","0.009","920.7","0.4","296","2","296","2","","","","","","","","4","P -1","-P 1","2","","","","- C38 H30 N10 O14 -","- C38 H30 N10 O14 -","- C38 H30 N10 O14 -","1","0.5","","Baruah, Jubaraj Bikash; Tarai, Arup","Competing phenol-imidazole and phenol-phenol interactions in flexible supramolecular environment of N,N'-bis(3-imidazol-1-yl-propyl)naphthalenediimide causing domain expansion","New J. Chem.","2017","","","","","10.1039/C7NJ02322G","","","0.71073","MoKα","","0.1025","0.0542","","","0.0921","0.1134","","","","","","1.081","","","","has coordinates","199876","2020-10-21","18:00:00",""
"7056530","9.2173","0.001","10.4784","0.0011","11.2283","0.0009","101.512","0.008","98.485","0.008","108.836","0.01","979.11","0.19","296","2","296","2","","","","","","","","4","P -1","-P 1","2","","","","- C40 H36 N8 O10 -","- C40 H36 N8 O10 -","- C40 H36 N8 O10 -","1","0.5","","Baruah, Jubaraj Bikash; Tarai, Arup","Competing phenol-imidazole and phenol-phenol interactions in flexible supramolecular environment of N,N'-bis(3-imidazol-1-yl-propyl)naphthalenediimide causing domain expansion","New J. Chem.","2017","","","","","10.1039/C7NJ02322G","","","0.71073","MoKα","","0.1413","0.0715","","","0.1449","0.1833","","","","","","1.01","","","","has coordinates","199876","2020-10-21","18:00:00",""
"7056531","9.4179","0.0005","9.5207","0.0005","16.3424","0.0008","86.803","0.004","88.439","0.003","69.925","0.004","1374.12","0.13","296","2","296.15","","","","","","","","","4","P -1","-P 1","2","","","","- C32 H28 N6 O6 -","- C32 H28 N6 O6 -","- C64 H56 N12 O12 -","2","1","","Baruah, Jubaraj Bikash; Tarai, Arup","Competing phenol-imidazole and phenol-phenol interactions in flexible supramolecular environment of N,N'-bis(3-imidazol-1-yl-propyl)naphthalenediimide causing domain expansion","New J. Chem.","2017","","","","","10.1039/C7NJ02322G","","","0.71073","MoKα","","0.1039","0.0621","","","0.1604","0.1959","","","","","","1.049","","","","has coordinates,has disorder","199876","2020-10-21","18:00:00",""
"7056532","9.7353","0.0004","14.6502","0.0006","11.7908","0.0005","90","","97.654","0.003","90","","1666.67","0.12","296","2","296","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C38 H34 N6 O8 -","- C38 H34 N6 O8 -","- C76 H68 N12 O16 -","2","0.5","","Baruah, Jubaraj Bikash; Tarai, Arup","Competing phenol-imidazole and phenol-phenol interactions in flexible supramolecular environment of N,N'-bis(3-imidazol-1-yl-propyl)naphthalenediimide causing domain expansion","New J. Chem.","2017","","","","","10.1039/C7NJ02322G","","","0.71073","MoKα","","0.0758","0.0437","","","0.101","0.1126","","","","","","1.081","","","","has coordinates","199876","2020-10-21","18:00:00",""
"7056533","9.347","","9.949","","10.194","","106.19","","101.69","","110.1","","806.765","","293","2","293","2","","","","","","","","4","P -1","-P 1","2","azine","(1E,2E)-1-(4-ethoxybenzylidene)-2-(1-(4-nitrophenyl)ethylidene)hydrazine","","- C17 H17 N3 O3 -","- C17 H17 N3 O3 -","- C34 H34 N6 O6 -","2","1","","Valverde, Clodoaldo; Fonseca Vaz, Wesley; Custódio, Jean; Duarte, Vitor; Carvalho Jr, Paulo de Sousa; Figueredo, Andreza; Aquino, Gilberto Lúcio Benedito; Baseia, Basilio; Napolitano, Hamilton","Solid State Structure and Environmental Polarization Effect of a Novel Asymmetric Azine","New J. Chem.","2017","","","","","10.1039/C7NJ00618G","","","0.71073","MoKα","","0.078","0.0624","","","0.1706","0.1908","","","","","","1.03","","","","has coordinates","199877","2020-10-21","18:00:00",""
"7056534","7.7389","0.0005","9.6787","0.0006","13.1985","0.0008","81.999","0.002","75","0.001","75.514","0.002","921.62","0.1","298","2","298","2","","","","","","","","5","P -1","-P 1","2","DDL-JE10_55","","","- C15 H12 Er O9 S3 -","- C15 H12 Er O9 S3 -","- C30 H24 Er2 O18 S6 -","2","1","","Einkauf, Jeffrey D.; Ortega, Raul E.; Mathivathanan, Logesh; de Lill, Daniel T.","Nitroaromatic sensing with a new lanthanide coordination polymer [Ln2(C10H4O4S2)3(H2O)6]n (Ln = Sm-Yb) assembled by 2,2’-bithiophene-5,5’-dicarboxylate","New J. Chem.","2017","","","","","10.1039/C7NJ01677H","","","0.71073","MoKα","","0.0308","0.0264","","","0.0589","0.0607","","","","","","1.113","","","","has coordinates","199878","2020-10-21","18:00:00",""
"7056535","17.2827","0.0006","21.8727","0.0011","21.3196","0.0008","90","","103.353","0.003","90","","7841.3","0.6","173","2","173","2","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C172 H170 Cu2 N8 Ni2 O34 Tb2 -","- C172 H170 Cu2 N8 Ni2 O34 Tb2 -","- C344 H340 Cu4 N16 Ni4 O68 Tb4 -","2","0.5","","Zhu, Zhao-Xia; Cai, Li-Zheng; Deng, Xiao-Wei; Zhou, Yanling; Yao, Min-Xia","Synthesis, structures and magnetism of heterotrimetallic Ni-Cu-Ln complexes based on a dicompartmental imine-oxime ligand","New J. Chem.","2017","","","","","10.1039/C7NJ01955F","","","0.71073","MoKα","","0.1004","0.0514","","","0.1223","0.1366","","","","","","1.097","","","","has coordinates","199889","2020-10-21","18:00:00",""
"7056536","17.2908","0.0017","22.264","0.002","21.455","0.002","90","","103.966","0.007","90","","8015.2","1.3","296","2","296","2","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C170 H166 Cu2 Gd2 N8 Ni2 O34 -","- C170 H166 Cu2 Gd2 N8 Ni2 O34 -","- C340 H332 Cu4 Gd4 N16 Ni4 O68 -","2","0.5","","Zhu, Zhao-Xia; Cai, Li-Zheng; Deng, Xiao-Wei; Zhou, Yanling; Yao, Min-Xia","Synthesis, structures and magnetism of heterotrimetallic Ni-Cu-Ln complexes based on a dicompartmental imine-oxime ligand","New J. Chem.","2017","","","","","10.1039/C7NJ01955F","","","0.71073","MoKα","","0.136","0.0699","","","0.1857","0.2161","","","","","","1.257","","","","has coordinates","199889","2020-10-21","18:00:00",""
"7056537","17.2892","0.0007","21.8955","0.001","21.2964","0.0008","90","","103.845","0.003","90","","7827.6","0.6","173","2","173","2","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C172 H170 Cu2 Ho2 N8 Ni2 O34 -","- C172 H170 Cu2 Ho2 N8 Ni2 O34 -","- C344 H340 Cu4 Ho4 N16 Ni4 O68 -","2","0.5","","Zhu, Zhao-Xia; Cai, Li-Zheng; Deng, Xiao-Wei; Zhou, Yanling; Yao, Min-Xia","Synthesis, structures and magnetism of heterotrimetallic Ni-Cu-Ln complexes based on a dicompartmental imine-oxime ligand","New J. Chem.","2017","","","","","10.1039/C7NJ01955F","","","0.71073","MoKα","","0.1159","0.0597","","","0.148","0.1687","","","","","","1.102","","","","has coordinates","199889","2020-10-21","18:00:00",""
"7056538","17.2908","0.0017","22.264","0.002","21.455","0.002","90","","103.966","0.007","90","","8015.2","1.3","296","2","296","2","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C172 H170 Cu2 Dy2 N8 Ni2 O34 -","- C172 H170 Cu2 Dy2 N8 Ni2 O34 -","- C344 H340 Cu4 Dy4 N16 Ni4 O68 -","2","0.5","","Zhu, Zhao-Xia; Cai, Li-Zheng; Deng, Xiao-Wei; Zhou, Yanling; Yao, Min-Xia","Synthesis, structures and magnetism of heterotrimetallic Ni-Cu-Ln complexes based on a dicompartmental imine-oxime ligand","New J. Chem.","2017","","","","","10.1039/C7NJ01955F","","","0.71073","MoKα","","0.1059","0.0672","","","0.1774","0.1914","","","","","","1.045","","","","has coordinates","199889","2020-10-21","18:00:00",""
"7056539","9.1606","0.0009","9.1763","0.001","15.3777","0.0019","90","","90","","90","","1292.7","0.2","293","2","293","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C15 H7 F5 N2 -","- C15 H7 F5 N2 -","- C60 H28 F20 N8 -","4","1","","Prasannan, Dijo; Arunkumar, Chellaiah","Pentafluorophenyl dipyrrin as probe for transition metal ion detection and its bioremediation in Bacillus subtilis and Bacillus cereus","New J. Chem.","2017","","","","","10.1039/C7NJ02157G","","","0.71073","MoKα","","0.0433","0.0378","","","0.0989","0.1058","","","","","","1.081","","","","has coordinates","199890","2020-10-21","18:00:00",""
"7056540","18.125","0.002","18.125","0.002","18.125","0.003","90","","90","","90","","5954.3","1.4","298","2","298","2","","","","","","","","5","I 2 3","I 2 2 3","197","","","","- C36 H74 Cl6 N20 O4 -","- C36 H74.0004 Cl6.0002 N20 O3.9999 -","- C144 H296.002 Cl24.0008 N80 O15.9996 -","4","0.166667","","Matyuska, Ferenc; Nagy, Nora V.; Benyei, Attila; Gajda, Tamás","Control of structure, stability and catechol oxidase activity of copper(II) complexes by the denticity of tripodal platforms","New J. Chem.","2017","","","","","10.1039/C7NJ02013A","","","0.71073","MoKα","","0.0984","0.0878","","","","0.2403","","","","","","1.041","","","","has coordinates","199891","2020-10-21","18:00:00",""
"7056541","17.1341","0.0013","9.4399","0.0006","17.6883","0.0014","90","","117.219","0.001","90","","2544.2","0.3","103","2","103","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","(tris[2-(5-pyrazolylmethyl)aminoethyl]amine-N,N',N"",N'"",N"""")-copper(II) diperchlorate","","- C18 H30 Cl2 Cu N10 O8 -","- C18 H30 Cl2 Cu N10 O8 -","- C72 H120 Cl8 Cu4 N40 O32 -","4","1","","Matyuska, Ferenc; Nagy, Nora V.; Benyei, Attila; Gajda, Tamás","Control of structure, stability and catechol oxidase activity of copper(II) complexes by the denticity of tripodal platforms","New J. Chem.","2017","","","","","10.1039/C7NJ02013A","","","0.71073","MoKα","","0.0563","0.0491","","","0.1205","0.1259","","","","","","1.046","","","","has coordinates,has disorder","199891","2020-10-21","18:00:00",""
"7056542","7.798","0.004","23.059","0.003","9.942","0.002","90","","111.31","0.03","90","","1665.5","1","294","2","294","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","1'-Methyldispiro[cyclooctane-1,3'-pyrrolidine-2',2''-indene]-1'',2,3''-trione","","- C20 H23 N O3 -","- C20 H23 N O3 -","- C80 H92 N4 O12 -","4","1","","Seeni, Maharani; Vivek Kumar, Sundaravel; Almansour, Abdulrahman Ibrahim; Kumar, Raju; K, Anitha; Raju, Ranjith Kumar","Synthesis of penta- and tetra-cyclic cage-like compounds and dispiro heterocycles through microwave-assisted solvent-free multi-component domino reactions","New J. Chem.","2017","","","","","10.1039/C7NJ01673E","","","0.71073","MoKα","","0.0364","0.0311","","","0.0803","0.0921","","","","","","1.034","","","","has coordinates","199892","2020-10-21","18:00:00",""
"7056543","7.5616","0.0007","8.9033","0.0008","10.8091","0.0011","72.764","0.011","80.486","0.012","72.369","0.011","660.09","0.12","294","2","294","2","","","","","","","","4","P -1","-P 1","2","","5a,10a-Dihydroxy-3-methyl-2,3,4,5,5a,10a-hexahydro-1,5-methanoindeno [1,2-d] azepine-10,11(1H)-dione","","- C15 H15 N O4 -","- C15 H15 N O4 -","- C30 H30 N2 O8 -","2","1","","Seeni, Maharani; Vivek Kumar, Sundaravel; Almansour, Abdulrahman Ibrahim; Kumar, Raju; K, Anitha; Raju, Ranjith Kumar","Synthesis of penta- and tetra-cyclic cage-like compounds and dispiro heterocycles through microwave-assisted solvent-free multi-component domino reactions","New J. Chem.","2017","","","","","10.1039/C7NJ01673E","","","0.71073","MoKα","","0.0427","0.037","","","0.0927","0.0969","","","","","","1.107","","","","has coordinates","199892","2020-10-21","18:00:00",""
"7056544","9.2706","0.0009","19.7818","0.0018","10.5006","0.001","90","","93.572","0.001","90","","1922","0.3","294","2","294","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","5-Benzyl-7a-hydroxy-1-methyl-2,3,5,6,7,7a-hexahydro-1H-3a,7-methano-indeno[2,1-d]pyrrolo[3,2-c]azepine-12,13(4H)-dione","","- C24 H24 N2 O3 -","- C24 H24 N2 O3 -","- C96 H96 N8 O12 -","4","1","","Seeni, Maharani; Vivek Kumar, Sundaravel; Almansour, Abdulrahman Ibrahim; Kumar, Raju; K, Anitha; Raju, Ranjith Kumar","Synthesis of penta- and tetra-cyclic cage-like compounds and dispiro heterocycles through microwave-assisted solvent-free multi-component domino reactions","New J. Chem.","2017","","","","","10.1039/C7NJ01673E","","","0.71073","MoKα","","0.0434","0.04","","","0.1059","0.1092","","","","","","1.043","","","","has coordinates","199892","2020-10-21","18:00:00",""
"7056545","11.7935","0.001","12.3784","0.001","24.81","0.002","90","","90","","90","","3621.9","0.5","294","2","294","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","6a-Hydroxy-1-methyl-4-phenyl-2,3,6,6a-tetrahydro-1H,4H,11H-3a,6-methanoindeno [2',1':4,5]thiopyrano[4,3-b]pyrrole-11,12-dione","","- C22 H19 N O3 S -","- C22 H19 N O3 S -","- C176 H152 N8 O24 S8 -","8","1","","Seeni, Maharani; Vivek Kumar, Sundaravel; Almansour, Abdulrahman Ibrahim; Kumar, Raju; K, Anitha; Raju, Ranjith Kumar","Synthesis of penta- and tetra-cyclic cage-like compounds and dispiro heterocycles through microwave-assisted solvent-free multi-component domino reactions","New J. Chem.","2017","","","","","10.1039/C7NJ01673E","","","0.71073","MoKα","","0.0333","0.0315","","","0.0897","0.0917","","","","","","1.055","","","","has coordinates","199892","2020-10-21","18:00:00",""
"7056546","13.535","0.005","23.826","0.005","8.463","0.005","90","","104.28","0.005","90","","2644.9","1.9","296","2","296","2","","","","","","","","4","C 1 2/m 1","-C 2y","12","","","","- C46 H52 Lu2 O27 -","- C46 H38 Lu2 O27 -","- C92 H76 Lu4 O54 -","2","0.25","","shi, tian; Chen, Ya-Guang; Ren, Xiao-Yan","Synthesis, characterization and properties of lanthanide coordination polymers with 3,5-bis(4-carboxyphenylmethyloxy) benzoic acid","New J. Chem.","2017","","","","","10.1039/C7NJ01650F","","","0.71069","MoKα","","0.0584","0.0412","","","0.0955","0.121","","","","","","1.101","","","","has coordinates,has disorder","199921","2020-10-21","18:00:00",""
"7056547","13.538","0.005","23.892","0.005","8.482","0.005","90","","104.265","0.005","90","","2658.9","1.9","296","2","296","2","","","","","","","","4","C 1 2/m 1","-C 2y","12","","","","- C46 H52 Er2 O27 -","- C46 H38 Er2 O27 -","- C92 H76 Er4 O54 -","2","0.25","","shi, tian; Chen, Ya-Guang; Ren, Xiao-Yan","Synthesis, characterization and properties of lanthanide coordination polymers with 3,5-bis(4-carboxyphenylmethyloxy) benzoic acid","New J. Chem.","2017","","","","","10.1039/C7NJ01650F","","","0.71069","MoKα","","0.0376","0.0297","","","0.0718","0.0751","","","","","","1.056","","","","has coordinates,has disorder","199921","2020-10-21","18:00:00",""
"7056548","22.702","0.005","7.53","0.005","29.233","0.005","90","","90","","90","","4997","4","296","2","296","2","","","","","","","","4","P b c n","-P 2n 2ab","60","","","","- C23 H24 Ce O12.5 -","- C23 H15 Ce O8 -","- C184 H120 Ce8 O64 -","8","1","","shi, tian; Chen, Ya-Guang; Ren, Xiao-Yan","Synthesis, characterization and properties of lanthanide coordination polymers with 3,5-bis(4-carboxyphenylmethyloxy) benzoic acid","New J. Chem.","2017","","","","","10.1039/C7NJ01650F","","","0.71069","MoKα","","0.1001","0.0453","","","0.089","0.1177","","","","","","0.987","","","","has coordinates,has disorder","199921","2020-10-21","18:00:00",""
"7056549","22.645","0.003","7.6075","0.001","29.26","0.004","90","","90","","90","","5040.7","1.2","296","2","296","2","","","","","","","","4","P b c n","-P 2n 2ab","60","","","","- C23 H24 La O12.5 -","- C23 H15 La O8 -","- C184 H120 La8 O64 -","8","1","","shi, tian; Chen, Ya-Guang; Ren, Xiao-Yan","Synthesis, characterization and properties of lanthanide coordination polymers with 3,5-bis(4-carboxyphenylmethyloxy) benzoic acid","New J. Chem.","2017","","","","","10.1039/C7NJ01650F","","","0.71073","MoKα","","0.1289","0.0546","","","0.1123","0.1452","","","","","","0.97","","","","has coordinates,has disorder","199921","2020-10-21","18:00:00",""
"7056550","13.544","0.005","23.806","0.005","8.457","0.005","90","","104.523","0.005","90","","2639.6","1.9","296","2","296","2","","","","","","","","4","C 1 2/m 1","-C 2y","12","","","","- C46 H52 O27 Tm2 -","- C46 H38 O27 Tm2 -","- C92 H76 O54 Tm4 -","2","0.25","","shi, tian; Chen, Ya-Guang; Ren, Xiao-Yan","Synthesis, characterization and properties of lanthanide coordination polymers with 3,5-bis(4-carboxyphenylmethyloxy) benzoic acid","New J. Chem.","2017","","","","","10.1039/C7NJ01650F","","","0.71069","MoKα","","0.0452","0.0363","","","0.081","0.0905","","","","","","1.076","","","","has coordinates,has disorder","199921","2020-10-21","18:00:00",""
"7056551","11.7418","0.0005","18.5045","0.0008","12.0354","0.0005","90","","93.494","0.001","90","","2610.14","0.19","150","2","150","2","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","hexacarbonylbis(μ-benzenetellurolato)(μ-pyridazine-κN1:κN2)dirhenium0.5(dichloromethane solvate)","","- C22.5 H15 Cl N2 O6 Re2 Te2 -","- C22.5 H15 Cl N2 O6 Re2 Te2 -","- C90 H60 Cl4 N8 O24 Re8 Te8 -","4","1","","Veronese, Lorenzo; Quartapelle Procopio, Elsa; Maggioni, Daniela; Mercandelli, Pierluigi; Panigati, Monica","Dinuclear Rhenium pyridazine complexes containing bridging chalcogenide anions: synthesis, characterization and computational study","New J. Chem.","2017","","","","","10.1039/C7NJ02548C","","","0.71073","MoKα","","0.0171","0.0162","","","0.0358","0.0361","","","","","","1.142","","","","has coordinates","199922","2020-10-21","18:00:00",""
"7056552","11.6624","0.0008","18.0556","0.0013","11.5828","0.0008","90","","94.007","0.001","90","","2433","0.3","150","2","150","2","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","hexacarbonylbis(μ-benzeneselenolato)(μ-pyridazine-κN1:κN2)dirhenium0.5(dichloromethane solvate)","","- C22.0365 H14.073 Cl0.073 N2 O6 Re2 Se2 -","- C22.036 H14.072 Cl0.073 N2 O6 Re2 Se2 -","- C88.144 H56.288 Cl0.292 N8 O24 Re8 Se8 -","4","1","","Veronese, Lorenzo; Quartapelle Procopio, Elsa; Maggioni, Daniela; Mercandelli, Pierluigi; Panigati, Monica","Dinuclear Rhenium pyridazine complexes containing bridging chalcogenide anions: synthesis, characterization and computational study","New J. Chem.","2017","","","","","10.1039/C7NJ02548C","","","0.71073","MoKα","","0.0308","0.0205","","","0.0398","0.0427","","","","","","1.032","","","","has coordinates","199922","2020-10-21","18:00:00",""
"7056553","5.4915","0.0002","17.403","0.0005","24.2402","0.0007","90","","90","","90","","2316.6","0.13","297","2","297","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C26 H22 Cu N2 O5 -","- C26 H22 Cu N2 O5 -","- C104 H88 Cu4 N8 O20 -","4","1","","Ahmed, Faruk; Halder, Soumi; Dutta, Basudeb; Islam, Sakhiul; Sen, Chandana; Kundu, Suman; Sinha, Chittaranjan; Ray, Partha Pratim; Mir, Mohammad Hedayetullah","Synthesis and structural characterization of Cu(II)-based 1D coordination polymer and its application in Schottky device","New J. Chem.","2017","","","","","10.1039/C7NJ01557G","","","0.71073","MoKα","","0.048","0.0417","","","0.0967","0.0998","","","","","","1.159","","","","has coordinates","199982","2020-10-21","18:00:00",""
"7056554","22.2759","0.0003","22.2759","0.0003","16.4697","0.0006","90","","90","","120","","7077.6","0.3","293","2","293","2","","","","","","","","7","R -3 :H","-R 3","148","","","","- C84 H102 Cl6 Cu7 N12 O21 Zn2 -","- C84 H102 Cl6 Cu7 N12 O20.9998 Zn2 -","- C252 H306 Cl18 Cu21 N36 O62.9994 Zn6 -","3","0.166667","","Li, Xiaoqin; Ma, Dan; Cao, Bingran; Lu, Ying","Windmill-type mixed-metal clusters containing schiff-base ligands as efficient catalyst for cyclohexene oxidation","New J. Chem.","2017","","","","","10.1039/C7NJ02359F","","","0.71073","MoKα","","0.0792","0.0653","","","0.1808","0.1934","","","","","","1.038","","","","has coordinates,has disorder","199983","2020-10-21","18:00:00",""
"7056555","22.3264","0.0003","22.3264","0.0003","16.4388","0.0006","90","","90","","120","","7096.4","0.3","293","2","293","2","","","","","","","","7","R -3 :H","-R 3","148","","","","- C84 H102 Cl6 Cu7 Mn2 N12 O21 -","- C84 H102 Cl6 Cu7 Mn2 N12 O20.9998 -","- C252 H306.001 Cl18 Cu21 Mn6 N36 O62.9994 -","3","0.166667","","Li, Xiaoqin; Ma, Dan; Cao, Bingran; Lu, Ying","Windmill-type mixed-metal clusters containing schiff-base ligands as efficient catalyst for cyclohexene oxidation","New J. Chem.","2017","","","","","10.1039/C7NJ02359F","","","0.71073","MoKα","","0.0707","0.0511","","","0.1285","0.147","","","","","","1.027","","","","has coordinates,has disorder","199983","2020-10-21","18:00:00",""
"7056556","8.486","0.0004","12.0008","0.0007","12.9636","0.0007","112.276","0.005","97.062","0.004","108.048","0.004","1117.37","0.12","150","2","150","2","","","","","","","","5","P -1","-P 1","2","","","","- C27 H22 N2 Ni2 O5 -","- C27 H22 N2 Ni2 O5 -","- C54 H44 N4 Ni4 O10 -","2","1","","Nemec, Ivan; Herchel, Radovan; Machata, Marek; Travnicek, Zdenek","Tetranuclear Ni(II) and Co(II) Schiff-base complexes with an M4O6 defective dicubane-like core: zero-field SMM behavior in the cobalt analogue","New J. Chem.","2017","","","","","10.1039/C7NJ02281F","","","0.71073","MoKα","","0.0505","0.034","","","0.0713","0.0767","","","","","","0.975","","","","has coordinates,has disorder","199984","2020-10-21","18:00:00",""
"7056557","12.6657","0.001","10.6594","0.0009","11.1921","0.0009","90","","115.08","0.002","90","","1368.57","0.19","100","2","100","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C20 H12 Br0.29 F1.71 -","- C20 H12 Br0.29 F1.71 -","- C80 H48 Br1.16 F6.84 -","4","0.5","","Budniak, Adam K.; Masny, Michał; Prezelj, Kristina; Grzeszkiewicz, Mikołaj; Gawraczyński, Jakub; Dobrzycki, Łukasz; Cyrański, Michał K.; Koźmiński, Wiktor; Mazej, Zoran; Fijałkowski, Karol J.; Grochala, Wojciech; Leszczyński, Piotr J.","Reconnaissance of reactivity of an Ag(ii)SO4 one-electron oxidizer towards naphthalene derivatives","New J. Chem.","2017","","","","","10.1039/C7NJ02299A","","","0.71073","MoKα","","0.0529","0.0473","","","0.0981","0.0997","","","","","","1.243","","","","has coordinates","200020","2020-10-21","18:00:00",""
"7056558","7.3184","0.0005","12.8258","0.0009","18.0272","0.0013","109.369","0.002","90.011","0.002","102.874","0.002","1551.16","0.19","100","2","100","2","","","","","","","","3","P -1","-P 1","2","","","","- C20 H12 Br2 -","- C20 H12 Br2 -","- C80 H48 Br8 -","4","2","","Budniak, Adam K.; Masny, Michał; Prezelj, Kristina; Grzeszkiewicz, Mikołaj; Gawraczyński, Jakub; Dobrzycki, Łukasz; Cyrański, Michał K.; Koźmiński, Wiktor; Mazej, Zoran; Fijałkowski, Karol J.; Grochala, Wojciech; Leszczyński, Piotr J.","Reconnaissance of reactivity of an Ag(ii)SO4 one-electron oxidizer towards naphthalene derivatives","New J. Chem.","2017","","","","","10.1039/C7NJ02299A","","","0.71073","MoKα","","0.0406","0.0316","","","0.0631","0.0664","","","","","","1.089","","","","has coordinates","200020","2020-10-21","18:00:00",""
"7056559","12.4551","0.0009","10.6234","0.0008","11.1894","0.0008","90","","115.483","0.0016","90","","1336.49","0.17","100","2","100","2","","","","","","","","3","C 1 2/c 1","-C 2yc","15","","","","- C20 H12 F2 -","- C20 H12 F2 -","- C80 H48 F8 -","4","0.5","","Budniak, Adam K.; Masny, Michał; Prezelj, Kristina; Grzeszkiewicz, Mikołaj; Gawraczyński, Jakub; Dobrzycki, Łukasz; Cyrański, Michał K.; Koźmiński, Wiktor; Mazej, Zoran; Fijałkowski, Karol J.; Grochala, Wojciech; Leszczyński, Piotr J.","Reconnaissance of reactivity of an Ag(ii)SO4 one-electron oxidizer towards naphthalene derivatives","New J. Chem.","2017","","","","","10.1039/C7NJ02299A","","","0.71073","MoKα","","0.0378","0.0346","","","0.0979","0.101","","","","","","1.061","","","","has coordinates","200020","2020-10-21","18:00:00",""
"7056560","12.6621","0.0009","10.6518","0.0008","11.173","0.0008","90","","115.065","0.002","90","","1365.04","0.17","100","2","100","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C20 H12 Cl0.33 F1.67 -","- C20 H12 Cl0.328 F1.672 -","- C80 H48 Cl1.312 F6.688 -","4","0.5","","Budniak, Adam K.; Masny, Michał; Prezelj, Kristina; Grzeszkiewicz, Mikołaj; Gawraczyński, Jakub; Dobrzycki, Łukasz; Cyrański, Michał K.; Koźmiński, Wiktor; Mazej, Zoran; Fijałkowski, Karol J.; Grochala, Wojciech; Leszczyński, Piotr J.","Reconnaissance of reactivity of an Ag(ii)SO4 one-electron oxidizer towards naphthalene derivatives","New J. Chem.","2017","","","","","10.1039/C7NJ02299A","","","0.71073","MoKα","","0.0361","0.0318","","","0.0859","0.089","","","","","","1.1","","","","has coordinates","200020","2020-10-21","18:00:00",""
"7056561","13.6675","0.0011","8.1974","0.0007","14.9831","0.0012","90","","90.5433","0.0019","90","","1678.6","0.2","100","2","100","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C22 H12 F6 -","- C22 H12 F6 -","- C88 H48 F24 -","4","1","","Budniak, Adam K.; Masny, Michał; Prezelj, Kristina; Grzeszkiewicz, Mikołaj; Gawraczyński, Jakub; Dobrzycki, Łukasz; Cyrański, Michał K.; Koźmiński, Wiktor; Mazej, Zoran; Fijałkowski, Karol J.; Grochala, Wojciech; Leszczyński, Piotr J.","Reconnaissance of reactivity of an Ag(ii)SO4 one-electron oxidizer towards naphthalene derivatives","New J. Chem.","2017","","","","","10.1039/C7NJ02299A","","","0.71073","MoKα","","0.0357","0.0303","","","0.0746","0.0788","","","","","","1.075","","","","has coordinates","200020","2020-10-21","18:00:00",""
"7056562","13.619","0.0007","10.5374","0.0006","11.4528","0.0006","90","","115.295","0.001","90","","1485.99","0.14","100","2","100","2","","","","","","","","3","C 1 2/c 1","-C 2yc","15","","","","- C20 H12 Br2 -","- C20 H12 Br2 -","- C80 H48 Br8 -","4","0.5","","Budniak, Adam K.; Masny, Michał; Prezelj, Kristina; Grzeszkiewicz, Mikołaj; Gawraczyński, Jakub; Dobrzycki, Łukasz; Cyrański, Michał K.; Koźmiński, Wiktor; Mazej, Zoran; Fijałkowski, Karol J.; Grochala, Wojciech; Leszczyński, Piotr J.","Reconnaissance of reactivity of an Ag(ii)SO4 one-electron oxidizer towards naphthalene derivatives","New J. Chem.","2017","","","","","10.1039/C7NJ02299A","","","0.71073","MoKα","","0.0355","0.0303","","","0.0791","0.0812","","","","","","1.167","","","","has coordinates","200020","2020-10-21","18:00:00",""
"7056563","13.1656","0.001","10.6206","0.0008","11.2471","0.0009","90","","115.052","0.0018","90","","1424.7","0.19","100","2","100","2","","","","","","","","3","C 1 2/c 1","-C 2yc","15","","","","- C20 H12 Cl2 -","- C20 H12 Cl2 -","- C80 H48 Cl8 -","4","0.5","","Budniak, Adam K.; Masny, Michał; Prezelj, Kristina; Grzeszkiewicz, Mikołaj; Gawraczyński, Jakub; Dobrzycki, Łukasz; Cyrański, Michał K.; Koźmiński, Wiktor; Mazej, Zoran; Fijałkowski, Karol J.; Grochala, Wojciech; Leszczyński, Piotr J.","Reconnaissance of reactivity of an Ag(ii)SO4 one-electron oxidizer towards naphthalene derivatives","New J. Chem.","2017","","","","","10.1039/C7NJ02299A","","","0.71073","MoKα","","0.0406","0.0331","","","0.0786","0.0831","","","","","","1.077","","","","has coordinates","200020","2020-10-21","18:00:00",""
"7056564","27.406","0.003","6.3564","0.0006","9.5554","0.0009","90","","106.745","0.0017","90","","1594","0.3","100","2","100","2","","","","","","","","3","C 1 2/c 1","-C 2yc","15","","","","- C20 H12 I2 -","- C20 H12 I2 -","- C80 H48 I8 -","4","0.5","","Budniak, Adam K.; Masny, Michał; Prezelj, Kristina; Grzeszkiewicz, Mikołaj; Gawraczyński, Jakub; Dobrzycki, Łukasz; Cyrański, Michał K.; Koźmiński, Wiktor; Mazej, Zoran; Fijałkowski, Karol J.; Grochala, Wojciech; Leszczyński, Piotr J.","Reconnaissance of reactivity of an Ag(ii)SO4 one-electron oxidizer towards naphthalene derivatives","New J. Chem.","2017","","","","","10.1039/C7NJ02299A","","","0.71073","MoKα","","0.0342","0.0205","","","0.0476","0.0538","","","","","","1.104","","","","has coordinates","200020","2020-10-21","18:00:00",""
"7056565","12.6657","0.001","10.6594","0.0009","11.1921","0.0009","90","","115.08","0.002","90","","1368.57","0.19","100","2","100","2","","","","","","","","4","C 1 2 1","C 2y","5","","","","- C40 H24 Br0.57 F3.43 -","- C40 H24 Br0.57 F3.43 -","- C80 H48 Br1.14 F6.86 -","2","0.5","","Budniak, Adam K.; Masny, Michał; Prezelj, Kristina; Grzeszkiewicz, Mikołaj; Gawraczyński, Jakub; Dobrzycki, Łukasz; Cyrański, Michał K.; Koźmiński, Wiktor; Mazej, Zoran; Fijałkowski, Karol J.; Grochala, Wojciech; Leszczyński, Piotr J.","Reconnaissance of reactivity of an Ag(ii)SO4 one-electron oxidizer towards naphthalene derivatives","New J. Chem.","2017","","","","","10.1039/C7NJ02299A","","","0.71073","MoKα","","0.0451","0.0359","","","0.0901","0.0938","","","","","","1.067","","","","has coordinates","200020","2020-10-21","18:00:00",""
"7056566","12.6575","0.0011","10.6532","0.0009","11.1899","0.001","90","","115.098","0.002","90","","1366.4","0.2","100","2","100","2","","","","","","","","4","C 1 2 1","C 2y","5","","","","- C40 H24 Br0.55 F3.45 -","- C40 H24 Br0.55 F3.45 -","- C80 H48 Br1.1 F6.9 -","2","0.5","","Budniak, Adam K.; Masny, Michał; Prezelj, Kristina; Grzeszkiewicz, Mikołaj; Gawraczyński, Jakub; Dobrzycki, Łukasz; Cyrański, Michał K.; Koźmiński, Wiktor; Mazej, Zoran; Fijałkowski, Karol J.; Grochala, Wojciech; Leszczyński, Piotr J.","Reconnaissance of reactivity of an Ag(ii)SO4 one-electron oxidizer towards naphthalene derivatives","New J. Chem.","2017","","","","","10.1039/C7NJ02299A","","","0.71073","MoKα","","0.0474","0.0344","","","0.0761","0.0815","","","","","","1.034","","","","has coordinates","200020","2020-10-21","18:00:00",""
"7056567","10.1208","0.0004","25.0267","0.001","33.4392","0.0014","90","","92.0165","0.0013","90","","8464.6","0.6","100","2","100","2","","","","","","","","2","P 1 21/n 1","-P 2yn","14","","","","- C32 H22 -","- C32 H22 -","- C512 H352 -","16","4","","Budniak, Adam K.; Masny, Michał; Prezelj, Kristina; Grzeszkiewicz, Mikołaj; Gawraczyński, Jakub; Dobrzycki, Łukasz; Cyrański, Michał K.; Koźmiński, Wiktor; Mazej, Zoran; Fijałkowski, Karol J.; Grochala, Wojciech; Leszczyński, Piotr J.","Reconnaissance of reactivity of an Ag(ii)SO4 one-electron oxidizer towards naphthalene derivatives","New J. Chem.","2017","","","","","10.1039/C7NJ02299A","","","1.54178","CuKα","","0.1097","0.0694","","","0.1648","0.2076","","","","","","1.087","","","","has coordinates","200020","2020-10-21","18:00:00",""
"7056568","12.6399","0.0011","10.6517","0.0009","11.176","0.001","90","","115.128","0.002","90","","1362.3","0.2","100","2","100","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C20 H12 Cl0.33 F1.67 -","- C20 H12 Cl0.326 F1.674 -","- C80 H48 Cl1.304 F6.696 -","4","0.5","","Budniak, Adam K.; Masny, Michał; Prezelj, Kristina; Grzeszkiewicz, Mikołaj; Gawraczyński, Jakub; Dobrzycki, Łukasz; Cyrański, Michał K.; Koźmiński, Wiktor; Mazej, Zoran; Fijałkowski, Karol J.; Grochala, Wojciech; Leszczyński, Piotr J.","Reconnaissance of reactivity of an Ag(ii)SO4 one-electron oxidizer towards naphthalene derivatives","New J. Chem.","2017","","","","","10.1039/C7NJ02299A","","","0.71073","MoKα","","0.0357","0.032","","","0.0852","0.088","","","","","","1.113","","","","has coordinates","200020","2020-10-21","18:00:00",""
"7056569","16.4376","0.0011","12.9727","0.0009","7.2813","0.0005","90","","90","","90","","1552.66","0.18","100","2","100","2","","","","","","","","3","P c a 21","P 2c -2ac","29","","","","- C20 H12 Br2 -","- C20 H12 Br2 -","- C80 H48 Br8 -","4","1","","Budniak, Adam K.; Masny, Michał; Prezelj, Kristina; Grzeszkiewicz, Mikołaj; Gawraczyński, Jakub; Dobrzycki, Łukasz; Cyrański, Michał K.; Koźmiński, Wiktor; Mazej, Zoran; Fijałkowski, Karol J.; Grochala, Wojciech; Leszczyński, Piotr J.","Reconnaissance of reactivity of an Ag(ii)SO4 one-electron oxidizer towards naphthalene derivatives","New J. Chem.","2017","","","","","10.1039/C7NJ02299A","","","0.71073","MoKα","","0.0182","0.017","","","0.0421","0.0426","","","","","","1.082","","","","has coordinates","200020","2020-10-21","18:00:00",""
"7056570","12.6575","0.0011","10.6532","0.0009","11.1899","0.001","90","","115.098","0.002","90","","1366.4","0.2","100","2","100","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C20 H12 Br0.28 F1.72 -","- C20 H12 Br0.282 F1.718 -","- C80 H48 Br1.128 F6.872 -","4","0.5","","Budniak, Adam K.; Masny, Michał; Prezelj, Kristina; Grzeszkiewicz, Mikołaj; Gawraczyński, Jakub; Dobrzycki, Łukasz; Cyrański, Michał K.; Koźmiński, Wiktor; Mazej, Zoran; Fijałkowski, Karol J.; Grochala, Wojciech; Leszczyński, Piotr J.","Reconnaissance of reactivity of an Ag(ii)SO4 one-electron oxidizer towards naphthalene derivatives","New J. Chem.","2017","","","","","10.1039/C7NJ02299A","","","0.71073","MoKα","","0.0594","0.0515","","","0.1004","0.1026","","","","","","1.325","","","","has coordinates","200020","2020-10-21","18:00:00",""
"7056571","20.2205","0.0015","12.0071","0.0008","13.185","0.001","90","","98.761","0.003","90","","3163.8","0.4","150","2","150.15","","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C32 H34 Cl Mn N6 O6 -","- C32 H34 Cl Mn N6 O6 -","- C128 H136 Cl4 Mn4 N24 O24 -","4","1","","Banerjee, Saikat; Brandao, Paula; Bauza, Antonio; Frontera, Antonio; Barcelo-Oliver, Miquel; Panja, Anangamohan; Saha, Amrita","Nuclearity versus oxidation state in catalytic efficiency of MnII/III azo Schiff base complexes: Computational study on supramolecular interactions and phenoxazinone synthase like activity","New J. Chem.","2017","","","","","10.1039/C7NJ02280H","","","0.71073","MoKα","","0.1248","0.0676","","","0.1815","0.2284","","","","","","1.041","","","","has coordinates","200057","2020-10-21","18:00:00",""
"7056572","8.375","0.0002","14.7703","0.0004","31.987","0.0009","90","","92.029","0.001","90","","3954.35","0.18","150","2","150.15","","","","","","","","","7","P 1 2/c 1","-P 2yc","13","","","","- C70 H84 Cl2 Mn2 N18 O14 Zn2 -","- C70 H84 Cl2 Mn2 N18 O14 Zn2 -","- C140 H168 Cl4 Mn4 N36 O28 Zn4 -","2","0.5","","Banerjee, Saikat; Brandao, Paula; Bauza, Antonio; Frontera, Antonio; Barcelo-Oliver, Miquel; Panja, Anangamohan; Saha, Amrita","Nuclearity versus oxidation state in catalytic efficiency of MnII/III azo Schiff base complexes: Computational study on supramolecular interactions and phenoxazinone synthase like activity","New J. Chem.","2017","","","","","10.1039/C7NJ02280H","","","0.71073","MoKα","","0.083","0.0613","","","0.1815","0.1995","","","","","","1.055","","","","has coordinates,has disorder","200057","2020-10-21","18:00:00",""
"7056573","24.2226","0.0012","7.8812","0.0003","25.4161","0.0013","90","","120.284","0.007","90","","4189.9","0.5","100","0.1","100","0.1","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","SebdtSe","","- C22 H22 N4 S Se2 -","- C22 H22 N4 S Se2 -","- C176 H176 N32 S8 Se16 -","8","1","","Ghosh, Sirina; Das, Sarasija; Kumar, Neha Rani; Agrawal, Abhijeet R.; Zade, Sanjio S.","Effect of heteroatom (S/Se) juggling in donor-acceptor-donor (D-A-D) fused systems: synthesis and electrochemical polymerization","New J. Chem.","2017","","","","","10.1039/C7NJ02394D","","x-ray","0.71073","MoKα","","0.0405","0.0347","","","0.0856","0.0892","","","","","","1.063","","","","has coordinates","200058","2020-10-21","18:00:00",""
"7056574","24.0368","0.0011","7.8856","0.0003","24.6824","0.0011","90","","118.162","0.006","90","","4124.6","0.4","293.15","","293.15","","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","SbdSeS","","- C22 H22 N4 S2 Se -","- C22 H22 N4 S2 Se -","- C176 H176 N32 S16 Se8 -","8","1","","Ghosh, Sirina; Das, Sarasija; Kumar, Neha Rani; Agrawal, Abhijeet R.; Zade, Sanjio S.","Effect of heteroatom (S/Se) juggling in donor-acceptor-donor (D-A-D) fused systems: synthesis and electrochemical polymerization","New J. Chem.","2017","","","","","10.1039/C7NJ02394D","","","0.71073","","","0.035303","0.031109","","","","0.116105","","","","","","0.950288","","","","has coordinates","200058","2020-10-21","18:00:00",""
"7056575","20.6742","0.0008","14.3417","0.0005","16.3414","0.0007","90","","111.545","0.004","90","","4506.7","0.3","293","2","293","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","SbdtS","","- C22 H22 N4 S3 -","- C22 H22 N4 S3 -","- C176 H176 N32 S24 -","8","1","","Ghosh, Sirina; Das, Sarasija; Kumar, Neha Rani; Agrawal, Abhijeet R.; Zade, Sanjio S.","Effect of heteroatom (S/Se) juggling in donor-acceptor-donor (D-A-D) fused systems: synthesis and electrochemical polymerization","New J. Chem.","2017","","","","","10.1039/C7NJ02394D","","","1.54184","CuKα","","0.0431","0.0386","","","0.1189","0.1245","","","","","","1.083","","","","has coordinates","200058","2020-10-21","18:00:00",""
"7056576","11.0068","0.0012","18.8343","0.0018","19.829","0.002","72.08","0.006","89.811","0.007","77.711","0.007","3813.1","0.7","296","2","296","2","","","","","","","","4","P -1","-P 1","2","","","","- C22 H21 N O4 -","- C22 H21 N O4 -","- C176 H168 N8 O32 -","8","4","","Wen, Sai-Shuai; Zhou, Zhao-Fang; Xiao, Jun-An; Li, Jun; Xiang, Haoyue; Yang, Hua","Facile oxidative cyclization to access C2-quaternary 2-hydroxy-indolin-3-ones: Synthetic studies towards matemone","New J. Chem.","2017","","","","","10.1039/C7NJ02246H","","","0.71073","MoKα","","0.1295","0.0534","","","0.1271","0.172","","","","","","0.994","","","","has coordinates","200113","2020-10-21","18:00:00",""
"7056577","9.727","0.004","10.001","0.004","11.403","0.004","113.392","0.01","96.236","0.01","113.408","0.008","886.4","0.6","298","2","298","2","","","","","","","","3","P -1","-P 1","2","","","","- C22 H19 N3 -","- C22 H19 N3 -","- C44 H38 N6 -","2","1","","Singh, Ajai kumar; Singh, Mahabir Pratap; Saleem, Fariha; Pal, Ram Sahay","Palladacycles having normal and spiro chelate rings designed from bi- and tridentate ligands with indole core: structure, synthesis and applications as catalysts","New J. Chem.","2017","","","","","10.1039/C7NJ02116J","","","0.71073","MoKα","","0.2039","0.0688","","","0.1075","0.1437","","","","","","0.885","","","","has coordinates","200114","2020-10-21","18:00:00",""
"7056578","8.1295","0.0019","15.338","0.004","18.901","0.004","90","","90","","90","","2356.8","1","298","2","298","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C13 H10 N2 S -","- C13 H10 N2 S -","- C104 H80 N16 S8 -","8","1","","Singh, Ajai kumar; Singh, Mahabir Pratap; Saleem, Fariha; Pal, Ram Sahay","Palladacycles having normal and spiro chelate rings designed from bi- and tridentate ligands with indole core: structure, synthesis and applications as catalysts","New J. Chem.","2017","","","","","10.1039/C7NJ02116J","","","0.71073","MoKα","","0.0636","0.0453","","","0.1175","0.1299","","","","","","0.95","","","","has coordinates","200114","2020-10-21","18:00:00",""
"7056579","14.7535","0.0016","13.5197","0.0015","15.5348","0.0017","90","","111.195","0.002","90","","2889","0.5","298","2","298","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C27 H20 Cl4 N4 Pd2 S2 -","- C27 H20 Cl4 N4 Pd2 S2 -","- C108 H80 Cl16 N16 Pd8 S8 -","4","0.5","","Singh, Ajai kumar; Singh, Mahabir Pratap; Saleem, Fariha; Pal, Ram Sahay","Palladacycles having normal and spiro chelate rings designed from bi- and tridentate ligands with indole core: structure, synthesis and applications as catalysts","New J. Chem.","2017","","","","","10.1039/C7NJ02116J","","","0.71073","MoKα","","0.0335","0.0297","","","0.0734","0.0753","","","","","","1.042","","","","has coordinates","200114","2020-10-21","18:00:00",""
"7056580","8.5285","0.0018","15.89","0.003","7.5691","0.0016","90","","114.881","0.003","90","","930.5","0.3","298","2","298","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C12 H9 N O -","- C12 H9 N O -","- C48 H36 N4 O4 -","4","1","","Singh, Ajai kumar; Singh, Mahabir Pratap; Saleem, Fariha; Pal, Ram Sahay","Palladacycles having normal and spiro chelate rings designed from bi- and tridentate ligands with indole core: structure, synthesis and applications as catalysts","New J. Chem.","2017","","","","","10.1039/C7NJ02116J","","","0.71073","MoKα","","0.0468","0.0383","","","0.1049","0.1106","","","","","","1.078","","","","has coordinates","200114","2020-10-21","18:00:00",""
"7056581","10.45","0.006","12.734","0.008","18.174","0.011","90","","104.019","0.011","90","","2346","2","298","2","298","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C26 H22 Cl N5 Pd -","- C26 H22 Cl N5 Pd -","- C104 H88 Cl4 N20 Pd4 -","4","1","","Singh, Ajai kumar; Singh, Mahabir Pratap; Saleem, Fariha; Pal, Ram Sahay","Palladacycles having normal and spiro chelate rings designed from bi- and tridentate ligands with indole core: structure, synthesis and applications as catalysts","New J. Chem.","2017","","","","","10.1039/C7NJ02116J","","","0.71073","MoKα","","0.1273","0.0873","","","0.1527","0.1687","","","","","","1.168","","","","has coordinates","200114","2020-10-21","18:00:00",""
"7056582","11.737","0.003","12.583","0.003","8.43","0.002","90","","104.108","0.006","90","","1207.4","0.5","298","2","298","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C15 H12 N2 O -","- C15 H12 N2 O -","- C60 H48 N8 O4 -","4","1","","Singh, Ajai kumar; Singh, Mahabir Pratap; Saleem, Fariha; Pal, Ram Sahay","Palladacycles having normal and spiro chelate rings designed from bi- and tridentate ligands with indole core: structure, synthesis and applications as catalysts","New J. Chem.","2017","","","","","10.1039/C7NJ02116J","","","0.71073","MoKα","","0.0768","0.0469","","","0.1036","0.1142","","","","","","1.024","","","","has coordinates","200114","2020-10-21","18:00:00",""
"7056583","10.7502","0.0004","13.3823","0.0006","17.1566","0.0009","83.608","0.004","77.608","0.004","72.188","0.004","2292.36","0.19","130","2","130","2","","","","","","","","6","P -1","-P 1","2","","","","- C50 H28 Au2 F14 P2 S2 -","- C50 H28 Au2 F14 P2 S2 -","- C100 H56 Au4 F28 P4 S4 -","2","1","","Moreno-Alcántar, Luis Guillermo; Guevara-Vela, José Manuel; Delgadillo-Ruíz, Rafael; Rocha-Rinza, Tomás; Martín Pendás, Angel; Flores-Alamo, Marcos; Torrens, Hugo","Structural effects of trifluoromethylation and fluorination in gold(I) BIPHEP fluorothiolates","New J. Chem.","2017","","","","","10.1039/C7NJ02202F","","","0.71073","MoKα","","0.0632","0.0518","","","0.1229","0.1343","","","","","","1.08","","","","has coordinates","200115","2020-10-21","18:00:00",""
"7056584","10.9563","0.0005","13.2303","0.0006","16.1494","0.0007","93.295","0.004","101.336","0.004","110.274","0.004","2132.9","0.18","130","2","130","2","","","","","","","","6","P -1","-P 1","2","","","","- C48 H28 Au2 F10 P2 S2 -","- C48 H28 Au2 F10 P2 S2 -","- C96 H56 Au4 F20 P4 S4 -","2","1","","Moreno-Alcántar, Luis Guillermo; Guevara-Vela, José Manuel; Delgadillo-Ruíz, Rafael; Rocha-Rinza, Tomás; Martín Pendás, Angel; Flores-Alamo, Marcos; Torrens, Hugo","Structural effects of trifluoromethylation and fluorination in gold(I) BIPHEP fluorothiolates","New J. Chem.","2017","","","","","10.1039/C7NJ02202F","","","0.71073","MoKα","","0.0689","0.0571","","","0.1425","0.1566","","","","","","1.074","","","","has coordinates","200115","2020-10-21","18:00:00",""
"7056585","4.4715","0.0005","6.6057","0.0007","16.7243","0.0018","101.339","0.009","91.268","0.009","105.658","0.01","464.89","0.09","133","2","133","2","","","","","","","","4","P -1","-P 1","2","","","","- C22 H14 N4 O4 -","- C22 H14 N4 O4 -","- C22 H14 N4 O4 -","1","0.5","","Farfán, Norberto; Santillan, Rosa; Garcia Ortega, Héctor; Guerrero, Tomas; Morales-Saavedra, O. G.; Lacroix, Pascal Georges","Bis(4-nitroanilines) in interaction through a π-conjugated bridge: conformational effects and potential molecular switches","New J. Chem.","2017","","","","","10.1039/C7NJ02622F","","","0.71073","MoKα","","0.1356","0.0511","","","0.085","0.1009","","","","","","0.807","","","","has coordinates","200169","2020-10-21","18:00:00",""
"7056586","20.583","0.002","10.965","0.001","14.503","0.002","90","","103.007","0.009","90","","3189.2","0.6","293","2","293","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","1,3-bis[5-(4-(hexyloxy)phenyl)-1,3,4-oxadiazol-2-yl]benzene","","- C34 H37 N5 O6 -","- C34 H37 N5 O6 -","- C136 H148 N20 O24 -","4","0.5","","Gallardo, Hugo; Ferreira, Marli; Westphal, Eduard; Ballottin, Mariana Victoria; Bechtold, Ivan H.; Bortoluzzi, Adailton J.; Mezalira, Daniela Zambelli","Columnar bent-core liquid crystals with two oxadiazole units and two or four alkyl chains and their phase-dependent fluorescence","New J. Chem.","2017","","","","","10.1039/C7NJ00548B","","","0.71069","MoKα","","0.1125","0.0702","","","0.1984","0.2269","","","","","","1.066","","","","has coordinates","200272","2020-10-21","18:00:00",""
"7056587","11.494","0.007","21.318","0.003","14.593","0.005","90","","111.24","0.04","90","","3333","3","150","2","150","2","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C53 H84 Cl N17 Ni4 O15 -","- C52 H80 Cl N17 Ni4 O14 -","- C104 H160 Cl2 N34 Ni8 O28 -","2","1","","Chattopadhyay, Shouvik; Bhattacharyya, Anik; Das, Mithun; Bauza, Antonio; Herrero, Santiago; González-Prieto, Rodrigo; Frontera, Antonio","Both end-on and end-to-end azide bridged tetranuclear ferromagnetic nickel(II) Schiff base complex","New J. Chem.","2017","","","","","10.1039/C7NJ00852J","","","0.71073","MoKα","","0.057","0.045","","","0.1158","0.123","","","","","","1.068","","","","has coordinates","200437","2020-10-21","18:00:00",""
"7056588","11.5443","0.0003","11.6413","0.0003","15.0137","0.0004","74.386","0.002","69.643","0.002","74.148","0.002","1785.5","0.09","150","2","150","2","","","","","","","","7","P 1","P 1","1","","","","- C13 H19 Cl Cu N7 O2.5 S -","- C13 H19 Cl Cu N7 O2.5 S -","- C52 H76 Cl4 Cu4 N28 O10 S4 -","4","4","","Shen, Fang; Liu, Ya-Xian; Li, Shu-Min; Jiang, Chi-Kun; Wang, Bing-Feng; Xiong, Yahong; Mao, Zong-Wan; Le, Xue-Yi","Synthesis, crystal structures, molecular docking, in vitro cytotoxicity studies of two new copper(II) complexes: special emphasis on their binding to HSA","New J. Chem.","2017","","","","","10.1039/C7NJ02351K","","","1.54184","CuKα","","0.0359","0.0356","","","0.0998","0.1001","","","","","","1.041","","","","has coordinates","200766","2020-10-21","18:00:00",""
"7056589","11.462","0.0003","13.0187","0.0005","21.6957","0.0004","83.139","0.002","76.475","0.002","70.908","0.003","2971.27","0.16","150","2","150","2","","","","","","","","6","P 1","P 1","1","","","","- C17 H22 Cl Cu N7 O4 -","- C17 H22 Cl Cu N7 O4 -","- C102 H132 Cl6 Cu6 N42 O24 -","6","6","","Shen, Fang; Liu, Ya-Xian; Li, Shu-Min; Jiang, Chi-Kun; Wang, Bing-Feng; Xiong, Yahong; Mao, Zong-Wan; Le, Xue-Yi","Synthesis, crystal structures, molecular docking, in vitro cytotoxicity studies of two new copper(II) complexes: special emphasis on their binding to HSA","New J. Chem.","2017","","","","","10.1039/C7NJ02351K","","","0.71073","MoKα","","0.0322","0.0276","","","0.062","0.0644","","","","","","1.022","","","","has coordinates","200766","2020-10-21","18:00:00",""
"7056590","7.5607","0.0008","13.715","0.0015","8.9269","0.0009","90","","102.388","0.004","90","","904.12","0.17","299","2","299","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C4 H6 N10 O -","- C4 H6 N10 O -","- C16 H24 N40 O4 -","4","1","","Chen, Fu-Xue; Wang, Q.; Lu, Tian; Wang, Chenbin; Fan, Gui-Juan; Yin, Hongquan","Synthesis of 5,5'-azoxybistetrazole via nitration and de-oxygen rearrangement of triazene","New J. Chem.","2017","","","","","10.1039/C7NJ02724A","","","0.71073","MoKα","","0.0775","0.0553","","","0.1401","0.1562","","","","","","1.033","","","","has coordinates","200767","2020-10-21","18:00:00",""
"7056591","10.08","0.002","12.781","0.003","15.66","0.003","80.391","0.004","71.443","0.004","74.048","0.004","1832","0.7","296","2","296","2","","","","","","","","7","P -1","-P 1","2","","","","- C42 H28 Ag9 N12 O40 P W12 -","- C42 H28 Ag9 N12 O40 P W12 -","- C42 H28 Ag9 N12 O40 P W12 -","1","0.5","","Cao, Yue; Lv, Jinghua; Yu, Kai; Wang, Chunmei; Su, Zhanhua; Wang, Lu; Zhou, Baibin","Synthesis and photo-/electro-catalytic properties of Keggin polyoxometalate inorganic-organic hybrid layers based on d10 metal and rigid benzo-diazole/-triazole ligands","New J. Chem.","2017","","","","","10.1039/C7NJ02615C","","","0.71073","MoKα","","0.0924","0.0743","","","0.1039","0.1229","","","","","","1.057","","","","has coordinates","200768","2020-10-21","18:00:00",""
"7056592","11.679","0.01","12.709","0.012","13.329","0.012","95.994","0.013","111.209","0.013","107.347","0.013","1710","3","293","2","293","2","","","","","","","","7","P -1","-P 1","2","","","","- C36 H26 Cu7 Mo12 N18 O40 P -","- C36 H26 Cu7 Mo12 N18 O40 P -","- C36 H26 Cu7 Mo12 N18 O40 P -","1","0.5","","Cao, Yue; Lv, Jinghua; Yu, Kai; Wang, Chunmei; Su, Zhanhua; Wang, Lu; Zhou, Baibin","Synthesis and photo-/electro-catalytic properties of Keggin polyoxometalate inorganic-organic hybrid layers based on d10 metal and rigid benzo-diazole/-triazole ligands","New J. Chem.","2017","","","","","10.1039/C7NJ02615C","","","0.71073","MoKα","","0.0627","0.0583","","","0.1082","0.1165","","","","","","1.068","","","","has coordinates","200768","2020-10-21","18:00:00",""
"7056593","9.9145","0.0016","11.2727","0.0019","13.766","0.002","69.701","0.003","82.052","0.003","71.665","0.002","1369","0.4","293","2","293","2","","","","","","","","6","P -1","-P 1","2","","","","- C28 H28 Mo12 N8 O40 Si -","- C28 H28 Mo12 N8 O40 Si -","- C28 H28 Mo12 N8 O40 Si -","1","0.5","","Cao, Yue; Lv, Jinghua; Yu, Kai; Wang, Chunmei; Su, Zhanhua; Wang, Lu; Zhou, Baibin","Synthesis and photo-/electro-catalytic properties of Keggin polyoxometalate inorganic-organic hybrid layers based on d10 metal and rigid benzo-diazole/-triazole ligands","New J. Chem.","2017","","","","","10.1039/C7NJ02615C","","","0.71068","MoKα","","0.0858","0.0722","","","0.1226","0.1032","","","","","","1.09","","","","has coordinates","200768","2020-10-21","18:00:00",""
"7056594","11.6544","0.0008","12.8654","0.0009","13.5532","0.0009","95.994","0.001","111.033","0.001","106.86","0.002","1765.1","0.2","296","2","296","2","","","","","","","","7","P -1","-P 1","2","","","","- C36 H26 Ag7 As N18 O40 W12 -","- C36 H26 Ag7 As N18 O40 W12 -","- C36 H26 Ag7 As N18 O40 W12 -","1","0.5","","Cao, Yue; Lv, Jinghua; Yu, Kai; Wang, Chunmei; Su, Zhanhua; Wang, Lu; Zhou, Baibin","Synthesis and photo-/electro-catalytic properties of Keggin polyoxometalate inorganic-organic hybrid layers based on d10 metal and rigid benzo-diazole/-triazole ligands","New J. Chem.","2017","","","","","10.1039/C7NJ02615C","","","0.71073","MoKα","","0.0803","0.0741","","","0.105","0.1174","","","","","","1.073","","","","has coordinates","200768","2020-10-21","18:00:00",""
"7056595","12.409","0.0008","14.8977","0.001","17.3674","0.0011","65.948","0.001","80.814","0.001","69.922","0.001","2753","0.3","293","2","293","2","","","","","","","","6","P -1","-P 1","2","","","","- C28 H27 Mo12 N8 O40 P -","- C28 H27 Mo12 N8 O40 P -","- C56 H54 Mo24 N16 O80 P2 -","2","1","","Cao, Yue; Lv, Jinghua; Yu, Kai; Wang, Chunmei; Su, Zhanhua; Wang, Lu; Zhou, Baibin","Synthesis and photo-/electro-catalytic properties of Keggin polyoxometalate inorganic-organic hybrid layers based on d10 metal and rigid benzo-diazole/-triazole ligands","New J. Chem.","2017","","","","","10.1039/C7NJ02615C","","","0.71073","MoKα","","0.0591","0.0338","","","0.1155","0.1368","","","","","","1.125","","","","has coordinates","200768","2020-10-21","18:00:00",""
"7056596","12.5644","0.0019","14.395","0.002","15.5","0.002","90","","90","","90","","2803.4","0.7","296","2","296.15","","","","","","","","","5","I 21 21 21","I 2b 2c","24","","","","- C30 H26 N4 O4 Zn -","- C30 H26 N4 O4 Zn -","- C120 H104 N16 O16 Zn4 -","4","0.5","","Zhang, Mei-Li; Wang, Ji-Jiang; Ma, Zhen-Zhen; Qiao, Lei","Color tunable entangled coordination polymers based on long flexible bis(imidazole) ligands and phenylenediacetate","New J. Chem.","2017","","","","","10.1039/C7NJ00645D","","","0.71073","MoKα","","0.0402","0.0368","","","0.0972","0.0999","","","","","","1.0147","","","","has coordinates","278046","2022-09-21","15:45:42",""
"7056597","17.5339","0.0013","16.7657","0.0012","12.7103","0.0009","90","","132.795","0.001","90","","2741.7","0.3","296","2","296.15","","","","","","","","","5","C 1 2 1","C 2y","5","","","","- C60 H50 Cd2 N8 O8 -","- C60 H50 Cd2 N8 O8 -","- C120 H100 Cd4 N16 O16 -","2","0.5","","Zhang, Mei-Li; Wang, Ji-Jiang; Ma, Zhen-Zhen; Qiao, Lei","Color tunable entangled coordination polymers based on long flexible bis(imidazole) ligands and phenylenediacetate","New J. Chem.","2017","","","","","10.1039/C7NJ00645D","","","0.71073","MoKα","","0.0188","0.018","","","0.0507","0.0515","","","","","","1.0334","","","","has coordinates","278046","2022-09-21","15:45:42",""
"7056598","12.3569","0.0007","16.5347","0.0009","17.0455","0.0009","100.883","0.001","103.834","0.001","109.436","0.001","3048.9","0.3","293","2","","","","","","","","","","5","P -1","-P 1","2","","","","- C66.5 H56 Co2 N8 O11 -","- C66.5 H56 Co2 N8 O11 -","- C133 H112 Co4 N16 O22 -","2","1","","Zhang, Mei-Li; Wang, Ji-Jiang; Ma, Zhen-Zhen; Qiao, Lei","Color tunable entangled coordination polymers based on long flexible bis(imidazole) ligands and phenylenediacetate","New J. Chem.","2017","","","","","10.1039/C7NJ00645D","","","0.71073","MoKα","","0.1046","0.0687","","","0.2064","0.2426","","","","","","1.036","","","","has coordinates","200816","2020-10-21","18:00:00",""
"7056599","10.2073","0.0014","10.5715","0.0015","15.142","0.002","109.687","0.002","99.922","0.002","92.742","0.002","1505.5","0.4","296","2","","","","","","","","","","6","P -1","-P 1","2","","","","- C30 H29 Cl N4 O5 Pd -","- C30 H29 Cl N4 O5 Pd -","- C60 H58 Cl2 N8 O10 Pd2 -","2","1","","Zhang, Mei-Li; Wang, Ji-Jiang; Ma, Zhen-Zhen; Qiao, Lei","Color tunable entangled coordination polymers based on long flexible bis(imidazole) ligands and phenylenediacetate","New J. Chem.","2017","","","","","10.1039/C7NJ00645D","","","0.71073","MoKα","","0.0466","0.04","","","0.1237","0.1323","","","","","","0.9561","","","","has coordinates","200816","2020-10-21","18:00:00",""
"7056600","12.325","0.003","6.5356","0.0015","17.769","0.003","90","","115.411","0.012","90","","1292.8","0.5","293","2","","","","","","","","","","5","P 1 2/c 1","-P 2yc","13","","","","- C30 H26 Cd N4 O4 -","- C30 H26 Cd N4 O4 -","- C60 H52 Cd2 N8 O8 -","2","0.5","","Zhang, Mei-Li; Wang, Ji-Jiang; Ma, Zhen-Zhen; Qiao, Lei","Color tunable entangled coordination polymers based on long flexible bis(imidazole) ligands and phenylenediacetate","New J. Chem.","2017","","","","","10.1039/C7NJ00645D","","","0.71073","MoKα","","0.0413","0.0398","","","0.1104","0.1112","","","","","","1.0183","","","","has coordinates","200816","2020-10-21","18:00:00",""
"7056601","16.5928","0.0012","10.6712","0.0008","16.0573","0.0011","90","","110.762","0.001","90","","2658.6","0.3","296","2","296.15","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C27 H27 Cd N4 O6 -","- C27 H27 Cd N4 O6 -","- C108 H108 Cd4 N16 O24 -","4","1","","Zhang, Mei-Li; Wang, Ji-Jiang; Ma, Zhen-Zhen; Qiao, Lei","Color tunable entangled coordination polymers based on long flexible bis(imidazole) ligands and phenylenediacetate","New J. Chem.","2017","","","","","10.1039/C7NJ00645D","","","0.71073","MoKα","","0.0413","0.0285","","","0.0649","0.0737","","","","","","1.027","","","","has coordinates","200816","2020-10-21","18:00:00",""
"7056602","8.201","0.006","9.946","0.007","21.325","0.015","81.89","0.03","84.71","0.02","87.42","0.02","1714","2","150","2","150","2","","","","","","","","7","P -1","-P 1","2","","","","- C50 H56 Br0 Cl22 N4 O0 Ru2 -","- C50 H56 Cl22 N4 Ru2 -","- C50 H56 Cl22 N4 Ru2 -","1","0.5","","Ramaiah, Danaboyina; Viji, Mambattakkara; Tyagi, Nidhi; Naithani, Neeraj","Aryl Appended Neutral and Cationic Half-sandwich Ruthenium(II)-NHC Complexes: Synthesis, Characterisation and Catalytic Applications","New J. Chem.","2017","","","","","10.1039/C7NJ02822A","","","0.71073","MoKα","","0.1059","0.0785","","","0.2043","0.2212","","","","","","1.21","","","","has coordinates","200877","2020-10-21","18:00:00",""
"7056603","16.376","0.011","10.424","0.007","20.145","0.01","90","","127.64","0.04","90","","2723","3","150","2","150","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C40 H50 Cl16 N4 Ru2 -","- C40 H50 Cl16 N4 Ru2 -","- C80 H100 Cl32 N8 Ru4 -","2","0.5","","Ramaiah, Danaboyina; Viji, Mambattakkara; Tyagi, Nidhi; Naithani, Neeraj","Aryl Appended Neutral and Cationic Half-sandwich Ruthenium(II)-NHC Complexes: Synthesis, Characterisation and Catalytic Applications","New J. Chem.","2017","","","","","10.1039/C7NJ02822A","","","0.71073","MoKα","","0.1477","0.1139","","","0.2066","0.2229","","","","","","1.226","","","","has coordinates","200877","2020-10-21","18:00:00",""
"7056604","29.1612","0.0011","12.5438","0.0005","16.5284","0.0006","90","","103.261","0.002","90","","5884.7","0.4","296","2","296","2","","","","","","","","7","C 1 2/c 1","-C 2yc","15","","","","- C27 H31 Cl F6 N3 P Ru -","- C27 H31 Cl F6 N3 P Ru -","- C216 H248 Cl8 F48 N24 P8 Ru8 -","8","1","","Ramaiah, Danaboyina; Viji, Mambattakkara; Tyagi, Nidhi; Naithani, Neeraj","Aryl Appended Neutral and Cationic Half-sandwich Ruthenium(II)-NHC Complexes: Synthesis, Characterisation and Catalytic Applications","New J. Chem.","2017","","","","","10.1039/C7NJ02822A","","","0.71073","MoKα","","0.0729","0.0577","","","0.184","0.2022","","","","","","0.999","","","","has coordinates","200877","2020-10-21","18:00:00",""
"7056605","13.3979","0.0007","10.3168","0.0005","19.7429","0.0009","90","","101.468","0.002","90","","2674.5","0.2","150","2","150","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C25 H27 Cl F6 N3 P Ru -","- C25 H27 Cl F6 N3 P Ru -","- C100 H108 Cl4 F24 N12 P4 Ru4 -","4","1","","Ramaiah, Danaboyina; Viji, Mambattakkara; Tyagi, Nidhi; Naithani, Neeraj","Aryl Appended Neutral and Cationic Half-sandwich Ruthenium(II)-NHC Complexes: Synthesis, Characterisation and Catalytic Applications","New J. Chem.","2017","","","","","10.1039/C7NJ02822A","","","0.71073","MoKα","","0.0541","0.0352","","","0.0876","0.0965","","","","","","1.05","","","","has coordinates,has disorder","200877","2020-10-21","18:00:00",""
"7056606","9.36","0.0019","23.494","0.005","9.6076","0.0019","90","","97.83","0.03","90","","2093.1","0.8","293","2","293","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C20 H19 Cu N5 O6 -","- C20 H19 Cu N5 O6 -","- C80 H76 Cu4 N20 O24 -","4","1","","Azary, Akbar; Bezaatpour, Abolfazl; Zahri, Saber; Amiri, Mandana","Synthesis, characterization, Crystal structure Electrochemical, Solvatochromic and Biological investigation of Novel N4 and N3 type Cu(II) Schiff base complexes","New J. Chem.","2017","","","","","10.1039/C7NJ02187A","","","0.71073","MoKα","","0.1485","0.0499","","","0.1005","0.1254","","","","","","0.778","","","","has coordinates","200918","2020-10-21","18:00:00",""
"7056607","7.1742","0.0014","11.35","0.002","12.47","0.003","76.8","0.03","75.49","0.03","83.62","0.03","955.5","0.4","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C20 H18 Cl2 Cu N3 -","- C20 H18 Cl2 Cu N3 -","- C40 H36 Cl4 Cu2 N6 -","2","1","","Azary, Akbar; Bezaatpour, Abolfazl; Zahri, Saber; Amiri, Mandana","Synthesis, characterization, Crystal structure Electrochemical, Solvatochromic and Biological investigation of Novel N4 and N3 type Cu(II) Schiff base complexes","New J. Chem.","2017","","","","","10.1039/C7NJ02187A","","","0.71073","MoKα","","0.3636","0.0879","","","0.1337","0.2442","","","","","","0.587","","","","has coordinates","200918","2020-10-21","18:00:00",""
"7056608","10.267","0.004","25.086","0.009","16.403","0.006","90","","90","","90","","4225","3","150","2","150","2","","","","","","","","4","P n a 21","P 2c -2n","33","","","","- C44 H40 N4 O6 -","- C44 H40 N4 O6 -","- C176 H160 N16 O24 -","4","1","","Paul, Parimal; Bhatt, Madhuri; Maity, Debdeep; Hingu, vinayak; Suresh, Eringathodi; Ganguly, Bishwajit","Functionalized calix[4]arene as colorimetric dual sensor for Cu(II) and cysteine in aqueous media: Experimental and computational study","New J. Chem.","2017","","","","","10.1039/C7NJ02537H","","","0.71073","MoKα","","0.1536","0.1106","","","0.2278","0.2492","","","","","","1.075","","","","has coordinates","200955","2020-10-21","18:00:00",""
"7056609","9.974","0.002","10.59","0.002","13.315","0.003","111.62","0.03","96.36","0.03","106.73","0.03","1214.4","0.6","298","2","571","2","","","","","","","","4","P -1","-P 1","2","","","","- C29 H33 N3 O2 -","- C29 H33 N3 O2 -","- C58 H66 N6 O4 -","2","1","","Azadbakht, Reza; Hakimi, Mohammad; Khanabadi, Javad; Amiri Rudbari, Hadi","A new macrocyclic ligand as a turn-on fluorescent chemosensor for the recognition of Pb2+ ions","New J. Chem.","2017","","","","","10.1039/C7NJ02873C","","","0.71073","MoKα","","0.1193","0.0646","","","0.1657","0.1928","","","","","","0.843","","","","has coordinates","200964","2020-10-21","18:00:00",""
"7056610","33.17","0.007","3.969","0.0008","13.572","0.003","90","","90","","90","","1786.8","0.7","298","2","298","2","","","","","","","","3","P c c n","-P 2ab 2ac","56","","","","- C24 H18 O4 -","- C24 H18 O4 -","- C96 H72 O16 -","4","0.5","","Azadbakht, Reza; Hakimi, Mohammad; Khanabadi, Javad; Amiri Rudbari, Hadi","A new macrocyclic ligand as a turn-on fluorescent chemosensor for the recognition of Pb2+ ions","New J. Chem.","2017","","","","","10.1039/C7NJ02873C","","","0.71069","MoKα","","0.1","0.0504","","","0.113","0.1366","","","","","","1.065","","","","has coordinates","200964","2020-10-21","18:00:00",""
"7056611","6.1749","0.0007","6.3972","0.0007","9.0143","0.001","78.006","0.004","80.204","0.004","63.912","0.004","311.56","0.06","171","2","171","2","","","","","","","","5","P -1","-P 1","2","","","","- C6 H4 F2 N4 O12 -","- C6 H4 F2 N4 O12 -","- C6 H4 F2 N4 O12 -","1","0.5","","Ma, Jinchao; Yang, Hongwei; Cheng, Guangbin","Study on the synthesis of 2-fluoro-2,2-dinitroethyl esters as potential melt cast matrix in explosive charges","New J. Chem.","2017","","","","","10.1039/C7NJ02717F","","","0.71073","MoKα","","0.0568","0.036","","","0.0729","0.0784","","","","","","1.056","","","","has coordinates","200965","2020-10-21","18:00:00",""
"7056612","5.8921","0.0006","12.6006","0.0016","18.796","0.002","90","","90","","90","","1395.5","0.3","173","2","173","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C9 H4 F N5 O12 -","- C9 H4 F N5 O12 -","- C36 H16 F4 N20 O48 -","4","1","","Ma, Jinchao; Yang, Hongwei; Cheng, Guangbin","Study on the synthesis of 2-fluoro-2,2-dinitroethyl esters as potential melt cast matrix in explosive charges","New J. Chem.","2017","","","","","10.1039/C7NJ02717F","","","0.71073","MoKα","","0.1163","0.0514","","","0.074","0.0914","","","","","","1.017","","","","has coordinates","200965","2020-10-21","18:00:00",""
"7056613","6.0766","0.0004","9.436","0.0003","9.7318","0.0004","73.389","0.003","72.298","0.004","84.89","0.004","509.4","0.04","295","2","295","2","","","","","","","","5","P 1","P 1","1","","5-(N-benzyl)amino-5-deoxy-1,2-O-isopropylidene-3-O-methyl-a-D-xylo-furanosyl)-(R,S)-2,3,3,3-tetrafluoropropanamide","","- C19 H23 F4 N O5 -","- C19 H23 F4 N O5 -","- C19 H23 F4 N O5 -","1","1","","Bilska-Markowska, Monika; Siodła, Tomasz; Patyk, Ewa; Katrusiak, Andrzej; Koroniak, Henryk","The conformations of new CF3 and CF3-CHF containing amides derived from carbohydrates: NMR, crystallographic and DFT study","New J. Chem.","2017","","","","","10.1039/C7NJ02986A","","x-ray","1.54184","CuKα","","0.0838","0.0782","","","0.2411","0.2534","","","","","","1.106","","","","has coordinates","201019","2020-10-21","18:00:00",""
"7056614","14.4123","0.0005","5.7309","0.0002","16.0699","0.0005","90","","113.838","0.001","90","","1214.07","0.07","273","2","273","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C14 H10 Cl N S -","- C14 H10 Cl N S -","- C56 H40 Cl4 N4 S4 -","4","2","","Ge, Xin; Sun, Fengli; Liu, Xuemin; Chen, Xinzhi; Qian, Chao; Zhou, Shaodong","Combined Experimental/theoretical Study on D-Glucosamine Promoted Regioselective Sulfenylation of Indoles Catalyzed by Copper","New J. Chem.","2017","","","","","10.1039/C7NJ02784B","","","0.71073","MoKα","","0.0244","0.0231","","","0.0733","0.0745","","","","","","1.002","","","","has coordinates","201335","2020-10-21","18:00:00",""
"7056615","7.2727","0.0002","7.4681","0.0001","7.4416","0.0002","90","","95.939","0.001","90","","402.008","0.016","160","2","160","2","","","","","","","","6","P 1 2/m 1","-P 2y","10","","","","- C12 H10.4 Fe N8 O1.2 Pt -","- C12 H8 Fe N8 O1.2 Pt -","- C12 H8 Fe N8 O1.2 Pt -","1","0.25","","Polyzou, Christina D.; Lalioti, Nikolia; Psycharis, Vassilis; Tangoulis, Vassilis","Guest Induced Hysteretic Tristability in 3D Pillared Hofmann-type Microporous Metal-Organic Framework","New J. Chem.","2017","","","","","10.1039/C7NJ02398G","","","1.54178","CuKα","","0.0464","0.0438","","","0.0925","0.0941","","","","","","1.041","","","","has coordinates","201336","2020-10-21","18:00:00",""
"7056616","7.28","0.0001","7.47","0.0001","7.4387","0.0001","90","","95.88","0.001","90","","402.4","0.009","160","2","160","2","","","","","","","","6","P 1 2/m 1","-P 2y","10","","","","- C12 H10.4 Fe N8 O1.2 Pd -","- C12 H8 Fe N8 O1.2 Pd -","- C12 H8 Fe N8 O1.2 Pd -","1","0.25","","Polyzou, Christina D.; Lalioti, Nikolia; Psycharis, Vassilis; Tangoulis, Vassilis","Guest Induced Hysteretic Tristability in 3D Pillared Hofmann-type Microporous Metal-Organic Framework","New J. Chem.","2017","","","","","10.1039/C7NJ02398G","","","1.54178","CuKα","","0.0446","0.0433","","","0.1055","0.1065","","","","","","1.097","","","","has coordinates","201336","2020-10-21","18:00:00",""
"7056617","9.7915","0.0007","10.7841","0.0008","28.665","0.002","90","","90","","90","","3026.8","0.4","200","","200","","","","","","","","","6","P b c a","-P 2ac 2ab","61","","2,2-difluoro-4,6-bis(2-pyrimidyl)-1,3-dihydro-1,3,5,2-triazaborinine","","- C11 H10 B Cl2 F2 N7 -","- C11 H10 B Cl2 F2 N7 -","- C88 H80 B8 Cl16 F16 N56 -","8","1","","Yousaf, Muhammad; Yutronkie, Nathan J.; Castañeda, Raúl; Klein, Jacob A.; Brusso, Jaclyn","Boratriazines: inducing luminescence through boron incorporation into a terpy-type framework","New J. Chem.","2017","","","","","10.1039/C7NJ02462B","","","0.71073","MoKα","","0.1228","0.0692","","","0.1794","0.1955","","","","","","1.06","","","","has coordinates,has disorder","201337","2020-10-21","18:00:00",""
"7056618","8.1901","0.0002","6.215","0.0002","14.8496","0.0004","90","","92.216","0.002","90","","755.3","0.04","200","","200","","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C5 H6 B F3 N4 -","- C5 H6 B F3 N4 -","- C20 H24 B4 F12 N16 -","4","1","","Yousaf, Muhammad; Yutronkie, Nathan J.; Castañeda, Raúl; Klein, Jacob A.; Brusso, Jaclyn","Boratriazines: inducing luminescence through boron incorporation into a terpy-type framework","New J. Chem.","2017","","","","","10.1039/C7NJ02462B","","","0.71073","MoKα","","0.0444","0.0341","","","0.0975","0.1016","","","","","","1.103","","","","has coordinates","201337","2020-10-21","18:00:00",""
"7056619","7.7785","0.0003","8.8782","0.0003","9.621","0.0004","91.401","0.002","102.708","0.002","109.795","0.002","606.29","0.04","200","","200","","","","","","","","","5","P -1","-P 1","2","","2,2-difluoro-4,6-bis(2-pyridyl)-1,3-dihydro-1,3,5,2-triazaborinine","","- C12 H10 B F2 N5 -","- C12 H10 B F2 N5 -","- C24 H20 B2 F4 N10 -","2","1","","Yousaf, Muhammad; Yutronkie, Nathan J.; Castañeda, Raúl; Klein, Jacob A.; Brusso, Jaclyn","Boratriazines: inducing luminescence through boron incorporation into a terpy-type framework","New J. Chem.","2017","","","","","10.1039/C7NJ02462B","","","0.71073","MoKα","","0.0649","0.0536","","","0.1584","0.168","","","","","","1.087","","","","has coordinates","201337","2020-10-21","18:00:00",""
"7056620","12.5375","0.0012","14.0018","0.0012","15.3625","0.0015","90","","109.974","0.003","90","","2534.6","0.4","123","2","273","2","","","","","","","","7","P 1 21/n 1","-P 2yn","14","Cadmium Complex","","","- C24 H27 Cd Cl2 N5 O S -","- C24 H27 Cd Cl2 N5 O S -","- C96 H108 Cd4 Cl8 N20 O4 S4 -","4","1","","Raje, Sakthi; Mani, Kalaikodikumaran; MinnathParsutkar, Mahesh; Angamuthu, Raja","Metal ions as external stimuli in stereoselective self-sorting of koneramines and thiokoneramines","New J. Chem.","2017","","","","","10.1039/C7NJ01941F","","","0.71073","MoKα","","0.0775","0.0419","","","0.1031","0.1286","","","","","","0.834","","","","has coordinates","201338","2020-10-21","18:00:00",""
"7056621","36.547","0.007","10.4667","0.0019","13.743","0.002","90","","100.796","0.003","90","","5164","1.6","123","2","100","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C24 H27 Cl2 N5 S Zn -","- C24 H27 Cl2 N5 S Zn -","- C192 H216 Cl16 N40 S8 Zn8 -","8","2","","Raje, Sakthi; Mani, Kalaikodikumaran; MinnathParsutkar, Mahesh; Angamuthu, Raja","Metal ions as external stimuli in stereoselective self-sorting of koneramines and thiokoneramines","New J. Chem.","2017","","","","","10.1039/C7NJ01941F","","","0.71073","MoKα","","0.0833","0.0557","","","0.113","0.1439","","","","","","1.107","","","","has coordinates,has disorder","201338","2020-10-21","18:00:00",""
"7056622","9.0819","0.0005","11.9997","0.0006","12.4935","0.0006","105.822","0.001","92.123","0.002","108.589","0.001","1230.09","0.11","123","2","123","2","","","","","","","","7","P -1","-P 1","2","","","","- C24 H27 Cl2 N5 O S Zn -","- C24 H27 Cl2 N5 O S Zn -","- C48 H54 Cl4 N10 O2 S2 Zn2 -","2","1","","Raje, Sakthi; Mani, Kalaikodikumaran; MinnathParsutkar, Mahesh; Angamuthu, Raja","Metal ions as external stimuli in stereoselective self-sorting of koneramines and thiokoneramines","New J. Chem.","2017","","","","","10.1039/C7NJ01941F","","","0.71073","MoKα","","0.0767","0.0442","","","0.0897","0.1001","","","","","","1.003","","","","has coordinates","201338","2020-10-21","18:00:00",""
"7056623","10.202","0.002","17.783","0.004","17.633","0.004","90","","102.04","0.03","90","","3128.6","1.2","123","2","293","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C28 H30 Cd Cl4 N6 Ni -","- C28 H30 Cd Cl4 N6 Ni -","- C112 H120 Cd4 Cl16 N24 Ni4 -","4","1","","Raje, Sakthi; Mani, Kalaikodikumaran; MinnathParsutkar, Mahesh; Angamuthu, Raja","Metal ions as external stimuli in stereoselective self-sorting of koneramines and thiokoneramines","New J. Chem.","2017","","","","","10.1039/C7NJ01941F","","","0.71073","MoKα","","0.145","0.1113","","","0.3075","0.3225","","","","","","2.21","","","","has coordinates","201338","2020-10-21","18:00:00",""
"7056624","11.612","0.005","18.565","0.005","11.65","0.005","90","0.005","99.506","0.005","90","0.005","2477","1.6","100","2","100","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C28 H21 N2 O9 Zn2 -","- C28 H21 N2 O9 Zn2 -","- C112 H84 N8 O36 Zn8 -","4","1","","Gupta, Anoop Kumar; Tomar, Kapil; Bharadwaj, Parimal K.","Structural Diversity of Zn(II) Based Coordination Polymers Constructed from a Flexible Carboxylate Linker and Pyridyl Co-linkers : Fluorescence Sensing of Nitro-aromatics","New J. Chem.","2017","","","","","10.1039/C7NJ02651J","","","0.71069","MoKα","","0.0587","0.0372","","","0.0923","0.1201","","","","","","1.155","","","","has coordinates","201339","2020-10-21","18:00:00",""
"7056625","14.513","0.005","14.2","0.005","14.873","0.005","90","0.005","108.193","0.005","90","0.005","2911.9","1.7","100","2","100","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C62 H44 N12 O17 Zn2 -","- C62 H44 N12 O17 Zn2 -","- C124 H88 N24 O34 Zn4 -","2","0.5","","Gupta, Anoop Kumar; Tomar, Kapil; Bharadwaj, Parimal K.","Structural Diversity of Zn(II) Based Coordination Polymers Constructed from a Flexible Carboxylate Linker and Pyridyl Co-linkers : Fluorescence Sensing of Nitro-aromatics","New J. Chem.","2017","","","","","10.1039/C7NJ02651J","","","0.71069","MoKα","","0.0852","0.0548","","","0.1146","0.1284","","","","","","1.021","","","","has coordinates","201339","2020-10-21","18:00:00",""
"7056626","10.2889","0.0007","11.9148","0.0008","15.1141","0.0011","91.109","0.002","96.935","0.002","105.482","0.002","1770","0.2","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","","","- C76 H60 N2 O37 Zn5 -","- C76 H60 N2 O37 Zn5 -","- C76 H60 N2 O37 Zn5 -","1","0.5","","Gupta, Anoop Kumar; Tomar, Kapil; Bharadwaj, Parimal K.","Structural Diversity of Zn(II) Based Coordination Polymers Constructed from a Flexible Carboxylate Linker and Pyridyl Co-linkers : Fluorescence Sensing of Nitro-aromatics","New J. Chem.","2017","","","","","10.1039/C7NJ02651J","","","0.71073","MoKα","","0.067","0.0441","","","0.099","0.1085","","","","","","1.026","","","","has coordinates,has disorder","201339","2020-10-21","18:00:00",""
"7056627","13.8409","0.0006","14.6035","0.0006","15.77","0.0007","90","","109.286","0.001","90","","3008.6","0.2","100","2","100","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C34 H29 N3 O8 Zn -","- C34 H29 N3 O8 Zn -","- C136 H116 N12 O32 Zn4 -","4","1","","Gupta, Anoop Kumar; Tomar, Kapil; Bharadwaj, Parimal K.","Structural Diversity of Zn(II) Based Coordination Polymers Constructed from a Flexible Carboxylate Linker and Pyridyl Co-linkers : Fluorescence Sensing of Nitro-aromatics","New J. Chem.","2017","","","","","10.1039/C7NJ02651J","","","0.71073","MoKα","","0.1439","0.0837","","","0.1869","0.2241","","","","","","1.038","","","","has coordinates","201339","2020-10-21","18:00:00",""
"7056628","11.8","0.005","15.524","0.005","13.684","0.005","90","0.005","95.835","0.005","90","0.005","2493.7","1.6","100","2","100","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C29 H24 N2 O7 Zn -","- C29 H24 N2 O7 Zn -","- C116 H96 N8 O28 Zn4 -","4","1","","Gupta, Anoop Kumar; Tomar, Kapil; Bharadwaj, Parimal K.","Structural Diversity of Zn(II) Based Coordination Polymers Constructed from a Flexible Carboxylate Linker and Pyridyl Co-linkers : Fluorescence Sensing of Nitro-aromatics","New J. Chem.","2017","","","","","10.1039/C7NJ02651J","","","0.71069","MoKα","","0.0731","0.0444","","","0.0954","0.1167","","","","","","1.083","","","","has coordinates","201339","2020-10-21","18:00:00",""
"7056629","11.4204","0.0012","21.689","0.003","15.3958","0.0017","90","","97.293","0.003","90","","3782.6","0.8","296","2","296","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C14 H20 Cd N2 O7 -","- C14 H20 Cd N2 O7 -","- C112 H160 Cd8 N16 O56 -","8","1","","do Nascimento Neto, José Antônio; da Silva, Cameron Capeletti; Ribeiro, Leandro; Vasconcelos, Géssica Adriana; Gontijo Vaz, Boniek; Ferreira, Vinicius Sousa; Queiroz Júnior, Luiz Keng; Maia, Lauro J. Q.; Sarotti, Ariel Marcelo; Martins, Felipe Terra","Probing the Competition between Acetate and 2,2’-Bipyridine Ligands to Bind to d-Block 12 Group Metals: Molecular and Structural Diversity towards High-Efficiency Luminescent Materials","New J. Chem.","2017","","","","","10.1039/C7NJ02393F","","","0.71073","MoKα","","0.089","0.0619","","","0.1704","0.1877","","","","","","1.042","","","","has coordinates","201340","2020-10-21","18:00:00",""
"7056630","8.9084","0.001","12.5072","0.0015","14.9281","0.0018","105.185","0.008","99.615","0.008","102.311","0.008","1523.8","0.3","296","2","296","2","","","","","","","","5","P -1","-P 1","2","","","","- C29 H32 Cd N5 O7 -","- C29 H32 Cd N5 O7 -","- C58 H64 Cd2 N10 O14 -","2","1","","do Nascimento Neto, José Antônio; da Silva, Cameron Capeletti; Ribeiro, Leandro; Vasconcelos, Géssica Adriana; Gontijo Vaz, Boniek; Ferreira, Vinicius Sousa; Queiroz Júnior, Luiz Keng; Maia, Lauro J. Q.; Sarotti, Ariel Marcelo; Martins, Felipe Terra","Probing the Competition between Acetate and 2,2’-Bipyridine Ligands to Bind to d-Block 12 Group Metals: Molecular and Structural Diversity towards High-Efficiency Luminescent Materials","New J. Chem.","2017","","","","","10.1039/C7NJ02393F","","","0.71073","MoKα","","0.0661","0.0443","","","0.0874","0.096","","","","","","1.026","","","","has coordinates","201340","2020-10-21","18:00:00",""
"7056631","23.6688","0.0015","13.4856","0.0009","24.0246","0.0015","90","","105.012","0.003","90","","7406.7","0.8","296","2","296","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C34 H43 N6 O10.5 Zn -","- C34 H43 N6 O10.5 Zn -","- C272 H344 N48 O84 Zn8 -","8","2","","do Nascimento Neto, José Antônio; da Silva, Cameron Capeletti; Ribeiro, Leandro; Vasconcelos, Géssica Adriana; Gontijo Vaz, Boniek; Ferreira, Vinicius Sousa; Queiroz Júnior, Luiz Keng; Maia, Lauro J. Q.; Sarotti, Ariel Marcelo; Martins, Felipe Terra","Probing the Competition between Acetate and 2,2’-Bipyridine Ligands to Bind to d-Block 12 Group Metals: Molecular and Structural Diversity towards High-Efficiency Luminescent Materials","New J. Chem.","2017","","","","","10.1039/C7NJ02393F","","","0.71073","MoKα","","0.1634","0.0741","","","0.19","0.2383","","","","","","0.993","","","","has coordinates","206489","2020-10-21","18:00:00",""
"7056632","20.1431","0.0008","8.0764","0.0004","21.7544","0.0009","90","","97.401","0.002","90","","3509.6","0.3","296","2","296","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C14 H20 N2 O7 Zn -","- C14 H20 N2 O7 Zn -","- C112 H160 N16 O56 Zn8 -","8","1","","do Nascimento Neto, José Antônio; da Silva, Cameron Capeletti; Ribeiro, Leandro; Vasconcelos, Géssica Adriana; Gontijo Vaz, Boniek; Ferreira, Vinicius Sousa; Queiroz Júnior, Luiz Keng; Maia, Lauro J. Q.; Sarotti, Ariel Marcelo; Martins, Felipe Terra","Probing the Competition between Acetate and 2,2’-Bipyridine Ligands to Bind to d-Block 12 Group Metals: Molecular and Structural Diversity towards High-Efficiency Luminescent Materials","New J. Chem.","2017","","","","","10.1039/C7NJ02393F","","","0.71073","MoKα","","0.0473","0.0363","","","0.0892","0.0963","","","","","","1.054","","","","has coordinates","201340","2020-10-21","18:00:00",""
"7056633","10.255","0.002","12.619","0.002","13.064","0.002","90","","108.023","0.004","90","","1607.6","0.5","296","2","296","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C14 H16 Hg N2 O5 -","- C14 H16 Hg N2 O5 -","- C56 H64 Hg4 N8 O20 -","4","1","","do Nascimento Neto, José Antônio; da Silva, Cameron Capeletti; Ribeiro, Leandro; Vasconcelos, Géssica Adriana; Gontijo Vaz, Boniek; Ferreira, Vinicius Sousa; Queiroz Júnior, Luiz Keng; Maia, Lauro J. Q.; Sarotti, Ariel Marcelo; Martins, Felipe Terra","Probing the Competition between Acetate and 2,2’-Bipyridine Ligands to Bind to d-Block 12 Group Metals: Molecular and Structural Diversity towards High-Efficiency Luminescent Materials","New J. Chem.","2017","","","","","10.1039/C7NJ02393F","","","0.71073","MoKα","","0.0839","0.0411","","","0.0778","0.0917","","","","","","0.948","","","","has coordinates","201340","2020-10-21","18:00:00",""
"7056634","9.316","0.013","13.037","0.018","13.162","0.016","61.74","0.03","81.33","0.04","85.11","0.04","1392","3","296","2","296","2","","","","","","","","5","P -1","-P 1","2","","","","- C48 H46 N8 O9 Zn2 -","- C48 H46 N8 O9 Zn2 -","- C48 H46 N8 O9 Zn2 -","1","0.5","","do Nascimento Neto, José Antônio; da Silva, Cameron Capeletti; Ribeiro, Leandro; Vasconcelos, Géssica Adriana; Gontijo Vaz, Boniek; Ferreira, Vinicius Sousa; Queiroz Júnior, Luiz Keng; Maia, Lauro J. Q.; Sarotti, Ariel Marcelo; Martins, Felipe Terra","Probing the Competition between Acetate and 2,2’-Bipyridine Ligands to Bind to d-Block 12 Group Metals: Molecular and Structural Diversity towards High-Efficiency Luminescent Materials","New J. Chem.","2017","","","","","10.1039/C7NJ02393F","","","0.71073","MoKα","","0.1161","0.097","","","0.2795","0.298","","","","","","1.15","","","","has coordinates,has disorder","201340","2020-10-21","18:00:00",""
"7056635","12.38","0.002","19.659","0.003","15.164","0.002","90","","108.148","0.009","90","","3507","0.9","296","2","296","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C29 H42 Hg N5 O12 -","- C29 H42 Hg N5 O12 -","- C116 H168 Hg4 N20 O48 -","4","1","","do Nascimento Neto, José Antônio; da Silva, Cameron Capeletti; Ribeiro, Leandro; Vasconcelos, Géssica Adriana; Gontijo Vaz, Boniek; Ferreira, Vinicius Sousa; Queiroz Júnior, Luiz Keng; Maia, Lauro J. Q.; Sarotti, Ariel Marcelo; Martins, Felipe Terra","Probing the Competition between Acetate and 2,2’-Bipyridine Ligands to Bind to d-Block 12 Group Metals: Molecular and Structural Diversity towards High-Efficiency Luminescent Materials","New J. Chem.","2017","","","","","10.1039/C7NJ02393F","","","0.71073","MoKα","","0.0702","0.0382","","","0.0839","0.0958","","","","","","0.984","","","","has coordinates","201340","2020-10-21","18:00:00",""
"7056636","8.0907","0.0003","9.8783","0.0005","12.7432","0.0006","106.076","0.002","98.523","0.002","108.795","0.002","894.34","0.07","296","2","296","2","","","","","","","","5","P -1","-P 1","2","","","","- C32 H34 N4 O12 Zn3 -","- C32 H34 N4 O12 Zn3 -","- C32 H34 N4 O12 Zn3 -","1","0.5","","do Nascimento Neto, José Antônio; da Silva, Cameron Capeletti; Ribeiro, Leandro; Vasconcelos, Géssica Adriana; Gontijo Vaz, Boniek; Ferreira, Vinicius Sousa; Queiroz Júnior, Luiz Keng; Maia, Lauro J. Q.; Sarotti, Ariel Marcelo; Martins, Felipe Terra","Probing the Competition between Acetate and 2,2’-Bipyridine Ligands to Bind to d-Block 12 Group Metals: Molecular and Structural Diversity towards High-Efficiency Luminescent Materials","New J. Chem.","2017","","","","","10.1039/C7NJ02393F","","","0.71073","MoKα","","0.0279","0.0245","","","0.0659","0.068","","","","","","1.045","","","","has coordinates","201340","2020-10-21","18:00:00",""
"7056637","4.2229","0.0006","13.994","0.002","42.276","0.006","90","","90","","90","","2498.3","0.6","298","2","298","2","","","","","","","","5","P b c m","-P 2c 2b","57","","","","- C16 H16 Ba Cl6 O10 -","- C16 H16 Ba Cl6 O10 -","- C64 H64 Ba4 Cl24 O40 -","4","0.5","","Xu, Xiu ling; Hu, Fan; Shuai, Qi","A facile synthesis, crystal structure and bioactivity evaluation of two novel barium complexes based on 2,4,6-trichlorophenoxyacetic acid and o-ferrocenylcarbonyl benzoic acid","New J. Chem.","2017","","","","","10.1039/C7NJ03046K","","","0.71073","MoKα","","0.0652","0.0589","","","0.1655","0.1764","","","","","","1.178","","","","has coordinates","201495","2020-10-21","18:00:00",""
"7056638","9.3623","0.0006","11.8133","0.0015","20.503","0.002","77.734","0.001","89.018","0.002","89.116","0.002","2215.4","0.4","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C36 H54 Ba Fe2 O20 -","- C36 H54 Ba Fe2 O20 -","- C72 H108 Ba2 Fe4 O40 -","2","1","","Xu, Xiu ling; Hu, Fan; Shuai, Qi","A facile synthesis, crystal structure and bioactivity evaluation of two novel barium complexes based on 2,4,6-trichlorophenoxyacetic acid and o-ferrocenylcarbonyl benzoic acid","New J. Chem.","2017","","","","","10.1039/C7NJ03046K","","","0.71073","MoKα","","0.1658","0.0993","","","0.2312","0.2936","","","","","","1.06","","","","has coordinates","201495","2020-10-21","18:00:00",""
"7056639","7.5576","0.0003","15.4438","0.0008","9.6007","0.0005","90","","91.438","0.005","90","","1120.22","0.09","100","2","100","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C16 H18 Cu2 N14 S2 -","- C16 H18 Cu2 N14 S2 -","- C32 H36 Cu4 N28 S4 -","2","0.5","","Biswas, Niladri; KHANRA, SUMIT; Sarkar, Arnab; Mandal, Deba Prasad; Bhattacharjee, Shamee; Chaudhuri, Ankur; Chakraborty, Sibani; Roy Choudhury, Chirantan","One new azido bridged dinuclear copper(II) thiosemicarbazide complex: Synthesis, DNA/protein binding, molecular docking study and cytotoxicity activity","New J. Chem.","2017","","","","","10.1039/C7NJ01998J","","","0.71073","MoKα","","0.0463","0.0362","","","0.0787","0.0838","","","","","","1.073","","","","has coordinates","201496","2020-10-21","18:00:00",""
"7056640","13.6857","0.0012","19.1641","0.0016","20.631","0.0018","90","","105.861","0.002","90","","5205","0.8","296","2","296","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C46 H54 Ag2 F12 N10 O2 P2 -","- C46 H54 Ag2 F12 N10 O2 P2 -","- C184 H216 Ag8 F48 N40 O8 P8 -","4","1","","Fei, Fan; Lu, Taotao; Chen, Xue-tai; Xue, Ziling Ben","Synthesis and structural characterization of metal complexes with macrocyclic tetracarbene ligands","New J. Chem.","2017","","","","","10.1039/C7NJ02485A","","","0.71073","MoKα","","0.077","0.0529","","","0.1499","0.1711","","","","","","1.068","","","","has coordinates","201497","2020-10-21","18:00:00",""
"7056641","12.736","0.005","30.092","0.012","16.19","0.007","90","","98.396","0.005","90","","6138","4","173","2","173","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C48 H62 Ag3 F18 N10 O4 P3 -","- C48 H62 Ag3 F18 N10 O4 P3 -","- C192 H248 Ag12 F72 N40 O16 P12 -","4","1","","Fei, Fan; Lu, Taotao; Chen, Xue-tai; Xue, Ziling Ben","Synthesis and structural characterization of metal complexes with macrocyclic tetracarbene ligands","New J. Chem.","2017","","","","","10.1039/C7NJ02485A","","","0.71073","MoKα","","0.17","0.0933","","","0.24","0.2904","","","","","","1.018","","","","has coordinates","201497","2020-10-21","18:00:00",""
"7056642","13.072","0.003","14.373","0.003","15.647","0.004","71.028","0.004","71.887","0.004","65.687","0.004","2479.5","1","120","2","120","2","","","","","","","","6","P -1","-P 1","2","","","","- C42 H44 F12 N8 Ni P2 -","- C42 H44 F12 N8 Ni P2 -","- C84 H88 F24 N16 Ni2 P4 -","2","1","","Fei, Fan; Lu, Taotao; Chen, Xue-tai; Xue, Ziling Ben","Synthesis and structural characterization of metal complexes with macrocyclic tetracarbene ligands","New J. Chem.","2017","","","","","10.1039/C7NJ02485A","","","0.71073","MoKα","","0.1764","0.1085","","","0.2179","0.2437","","","","","","1.094","","","","has coordinates,has disorder","201497","2020-10-21","18:00:00",""
"7056643","12.925","0.004","13.073","0.004","16.324","0.006","75.27","0.007","69.306","0.007","66.767","0.006","2349.8","1.3","153","2","153","2","","","","","","","","6","P -1","-P 1","2","","","","- C40 H40 F12 N8 P2 Pd -","- C40 H40 F11.994 N8 P1.999 Pd -","- C80 H80 F23.988 N16 P3.998 Pd2 -","2","1","","Fei, Fan; Lu, Taotao; Chen, Xue-tai; Xue, Ziling Ben","Synthesis and structural characterization of metal complexes with macrocyclic tetracarbene ligands","New J. Chem.","2017","","","","","10.1039/C7NJ02485A","","","0.71073","MoKα","","0.0969","0.0613","","","0.1422","0.1579","","","","","","1.055","","","","has coordinates,has disorder","201497","2020-10-21","18:00:00",""
"7056644","12.74","0.002","14.279","0.003","16.577","0.003","78.433","0.004","71.473","0.004","64.699","0.004","2577.7","0.8","293","2","293","2","","","","","","","","6","P -1","-P 1","2","","","","- C2.75 H3 F0.75 N0.5 P0.12 Pt0.06 -","- C2.75 H3 F0.75 N0.5 P0.125 Pt0.0625 -","- C88 H96 F24 N16 P4 Pt2 -","32","16","","Fei, Fan; Lu, Taotao; Chen, Xue-tai; Xue, Ziling Ben","Synthesis and structural characterization of metal complexes with macrocyclic tetracarbene ligands","New J. Chem.","2017","","","","","10.1039/C7NJ02485A","","","0.71073","MoKα","","0.101","0.0617","","","0.161","0.1718","","","","","","1.077","","","","has coordinates,has disorder","201497","2020-10-21","18:00:00",""
"7056645","11.4236","0.0019","13.822","0.002","15.218","0.002","90.046","0.004","96.534","0.004","102.324","0.004","2331.5","0.6","296","2","296","2","","","","","","","","6","P -1","-P 1","2","","","","- C42 H44 F12 N8 P2 Pd -","- C42 H44 F12 N8 P2 Pd -","- C84 H88 F24 N16 P4 Pd2 -","2","1","","Fei, Fan; Lu, Taotao; Chen, Xue-tai; Xue, Ziling Ben","Synthesis and structural characterization of metal complexes with macrocyclic tetracarbene ligands","New J. Chem.","2017","","","","","10.1039/C7NJ02485A","","","0.71073","MoKα","","0.2014","0.1164","","","0.2096","0.2419","","","","","","1.057","","","","has coordinates","201497","2020-10-21","18:00:00",""
"7056646","12.866","0.002","12.956","0.002","16.28","0.003","75.394","0.004","69.092","0.002","67.037","0.002","2314","0.7","190","2","190","2","","","","","","","","6","P -1","-P 1","2","","","","- C40 H40 F12 N8 P2 Pt -","- C40 H40 F12 N8 P2 Pt -","- C80 H80 F24 N16 P4 Pt2 -","2","1","","Fei, Fan; Lu, Taotao; Chen, Xue-tai; Xue, Ziling Ben","Synthesis and structural characterization of metal complexes with macrocyclic tetracarbene ligands","New J. Chem.","2017","","","","","10.1039/C7NJ02485A","","","0.71073","MoKα","","0.0893","0.0631","","","0.1476","0.1567","","","","","","1.04","","","","has coordinates","201497","2020-10-21","18:00:00",""
"7056647","16.245","0.003","14.013","0.003","20.618","0.004","90","","93.493","0.004","90","","4684.8","1.6","296","2","296","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C40 H40 F12 N8 Ni P2 -","- C40 H40 F12 N8 Ni P2 -","- C160 H160 F48 N32 Ni4 P8 -","4","1","","Fei, Fan; Lu, Taotao; Chen, Xue-tai; Xue, Ziling Ben","Synthesis and structural characterization of metal complexes with macrocyclic tetracarbene ligands","New J. Chem.","2017","","","","","10.1039/C7NJ02485A","","","0.71073","MoKα","","0.1457","0.0628","","","0.1101","0.1332","","","","","","1.04","","","","has coordinates,has disorder","201497","2020-10-21","18:00:00",""
"7056648","12.775","0.0011","14.4409","0.0013","16.4321","0.0014","78.288","0.003","71.501","0.003","63.775","0.001","2571.8","0.4","190","2","190","2","","","","","","","","6","P -1","-P 1","2","","","","- C44 H48 F12 N8 Ni P2 -","- C44 H48 F12 N8 Ni P2 -","- C88 H96 F24 N16 Ni2 P4 -","2","1","","Fei, Fan; Lu, Taotao; Chen, Xue-tai; Xue, Ziling Ben","Synthesis and structural characterization of metal complexes with macrocyclic tetracarbene ligands","New J. Chem.","2017","","","","","10.1039/C7NJ02485A","","","0.71073","MoKα","","0.1678","0.0829","","","0.2113","0.259","","","","","","1.038","","","","has coordinates,has disorder","201497","2020-10-21","18:00:00",""
"7056649","13.4115","0.0008","14.8836","0.0008","15.868","0.0008","92.478","0.002","112.811","0.002","116.642","0.001","2517.5","0.2","296","2","296","2","","","","","","","","6","P -1","-P 1","2","","","","- C42 H44 F12 N8 P2 Pt -","- C42 H44 F12 N8 P2 Pt -","- C84 H88 F24 N16 P4 Pt2 -","2","1","","Fei, Fan; Lu, Taotao; Chen, Xue-tai; Xue, Ziling Ben","Synthesis and structural characterization of metal complexes with macrocyclic tetracarbene ligands","New J. Chem.","2017","","","","","10.1039/C7NJ02485A","","","0.71073","MoKα","","0.0666","0.048","","","0.094","0.0995","","","","","","1.036","","","","has coordinates,has disorder","201497","2020-10-21","18:00:00",""
"7056650","31.573","0.002","43.5","0.003","45.318","0.003","90","","90","","90","","62241","7","120","2","120","2","","","","","","","","6","F d d d","-F 2uv 2vw","70","","","","- C264 H288 Ag12 F72 N48 P12 -","- C264 H288 Ag12 F72 N48 P12 -","- C2112 H2304 Ag96 F576 N384 P96 -","8","","","Fei, Fan; Lu, Taotao; Chen, Xue-tai; Xue, Ziling Ben","Synthesis and structural characterization of metal complexes with macrocyclic tetracarbene ligands","New J. Chem.","2017","","","","","10.1039/C7NJ02485A","","","0.71073","MoKα","","0.1189","0.0973","","","0.2627","0.2792","","","","","","0.991","","","","has coordinates,has disorder","201497","2020-10-21","18:00:00",""
"7056651","20.0846","0.0007","20.0846","0.0007","38.506","0.002","90","","90","","90","","15533","1.1","153","2","153","2","","","","","","","","6","P 43 21 2","P 4nw 2abw","96","","","","- C44 H48 F12 N8 P2 Pd -","- C44 H48 F12 N8 P2 Pd -","- C528 H576 F144 N96 P24 Pd12 -","12","1.5","","Fei, Fan; Lu, Taotao; Chen, Xue-tai; Xue, Ziling Ben","Synthesis and structural characterization of metal complexes with macrocyclic tetracarbene ligands","New J. Chem.","2017","","","","","10.1039/C7NJ02485A","","","0.71073","MoKα","","0.0802","0.0663","","","0.1685","0.1758","","","","","","1.097","","","","has coordinates,has disorder","201497","2020-10-21","18:00:00",""
"7056652","26.301","0.002","18.6381","0.0015","22.7995","0.0016","90","","107.972","0.005","90","","10631","1.4","200","2","200","2","","","","","","","","2","P 1 21/c 1","-P 2ybc","14","","","","- C124 H168 -","- C124 H168 -","- C496 H672 -","4","1","","Yu, Chin-Yang; Chen, Yu-Chi; Wang, Chao-Chi","Synthesis and Ring Opening Reaction of Octaoctyl Substituted [2.2.2.2](2,7)-Fluorenophanetetraene by Photooxidation","New J. Chem.","2017","","","","","10.1039/C7NJ02735D","","","0.71073","MoKα","","0.318","0.0975","","","0.2346","0.3416","","","","","","0.902","","","","has coordinates,has disorder","201583","2020-10-21","18:00:00",""
"7056653","13.0587","0.0007","11.2253","0.0006","17.2297","0.0008","90","","120.987","0.003","90","","2165.2","0.2","296","2","296","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C15 H25 N2 O16 Tb -","- C15 H25 N2 O16 Tb -","- C60 H100 N8 O64 Tb4 -","4","1","","Feyisa Bogale, Raji; Chen, Yanzhen; Ye, Junwei; Zhang, Siqi; Li, Yiwen; Liu, Xigang; Zheng, Ting; Rauf, Abdul; Ning, Guiling","A terbium(iii)-based coordination polymer for selective and sensitive sensing of nitroaromatics and ferric ion: synthesis, crystal structure and photoluminescence properties","New J. Chem.","2017","","","","","10.1039/C7NJ02492D","","","0.71073","MoKα","","0.0336","0.0255","","","0.0631","0.069","","","","","","1.039","","","","has coordinates","201584","2020-10-21","18:00:00",""
"7056654","28.3225","0.0015","9.7812","0.0005","18.605","0.0009","90","","110.718","0.002","90","","4820.8","0.4","100","2","100","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C54 H44 Cu2 N2 P4 S2 -","- C54 H44 Cu2 N2 P4 S2 -","- C216 H176 Cu8 N8 P16 S8 -","4","0.5","","Trivedi, Manoj; Smreker, Jacob Robert; Singh, Gurmeet; Kumar, Abhinav; Rath, Nigam P.","cis-1,2-bis(diphenylphosphino)ethylene copper(I) catalyzed C-H activation and carboxylation of terminal alkynes","New J. Chem.","2017","","","","","10.1039/C7NJ03038J","","","0.71073","MoKα","","0.0803","0.042","","","0.0817","0.096","","","","","","1.023","","","","has coordinates","201680","2020-10-21","18:00:00",""
"7056655","20.0996","0.0003","11.2677","0.0002","20.9221","0.0004","90","","96.228","0.002","90","","4710.39","0.14","295","2","295","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C58 H45 Cl N2 P2 Pt2 -","- C58 H45 Cl N2 P2 Pt2 -","- C232 H180 Cl4 N8 P8 Pt8 -","4","1","","Samandar Sangari, Mozhgan; Golbon Haghighi, Mohsen; Nabavizadeh, S. Masoud; Kubicki, Maciej; Rashidi, Mehdi","Photophysical Study on Unsymmetrical Binuclear Cycloplatinated(II) Complexes","New J. Chem.","2017","","","","","10.1039/C7NJ03034G","","","0.7107","MoKα","","0.0488","0.0322","","","0.053","0.0568","","","","","","0.96","","","","has coordinates","201681","2020-10-21","18:00:00",""
"7056656","33.725","0.0002","11.0882","0.0001","26.5368","0.0002","90","","92.967","0.001","90","","9910.12","0.13","130","1","130","1","","","","","","","","8","C 1 2/c 1","-C 2yc","15","","","","- C117 H90 Cl2 F6 N4 O4 P4 Pt4 -","- C117 H90 Cl2 F6 N4 O4 P4 Pt4 -","- C468 H360 Cl8 F24 N16 O16 P16 Pt16 -","4","0.5","","Samandar Sangari, Mozhgan; Golbon Haghighi, Mohsen; Nabavizadeh, S. Masoud; Kubicki, Maciej; Rashidi, Mehdi","Photophysical Study on Unsymmetrical Binuclear Cycloplatinated(II) Complexes","New J. Chem.","2017","","","","","10.1039/C7NJ03034G","","","1.5418","CuKα","","0.0377","0.0377","","","0.1361","0.1361","","","","","","1.27","","","","has coordinates,has disorder","201681","2020-10-21","18:00:00",""
"7056657","10.9965","0.0006","11.8076","0.0008","13.2007","0.0007","90","","92.894","0.005","90","","1711.82","0.17","295.2","0.3","295.2","0.3","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","1","","- C24 H16 O2 -","- C24 H16 O2 -","- C96 H64 O8 -","4","1","","Kong, Qunshou; Zhuang, Weihua; Li, Gaocan; Xu, Yangyang; Jiang, Qing; Wang, Yunbing","High contrast stimuli-responsive luminescence switching of pyrene-1-carboxylic esters triggered by a crystal-to-crystal transition","New J. Chem.","2017","","","","","10.1039/C7NJ03014B","","x-ray","1.54184","CuKα","","0.0673","0.0556","","","0.1581","0.173","","","","","","1.028","","","","has coordinates","201682","2020-10-21","18:00:00",""
"7056658","5.4969","0.0003","10.735","0.0007","22.1474","0.0012","90","","90","","90","","1306.9","0.13","293","2","293.15","","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","lgc-127","","- C18 H12 O2 -","- C18 H12 O2 -","- C72 H48 O8 -","4","1","","Kong, Qunshou; Zhuang, Weihua; Li, Gaocan; Xu, Yangyang; Jiang, Qing; Wang, Yunbing","High contrast stimuli-responsive luminescence switching of pyrene-1-carboxylic esters triggered by a crystal-to-crystal transition","New J. Chem.","2017","","","","","10.1039/C7NJ03014B","","x-ray","0.71073","MoKα","","0.0651","0.045","","","0.0885","0.1018","","","","","","1.084","","","","has coordinates","201682","2020-10-21","18:00:00",""
"7056659","9.6985","0.0007","11.4602","0.0009","14.9575","0.0012","80.519","0.004","73.258","0.004","76.892","0.004","1541.7","0.2","100","2","100","2","","","","","","","","5","P -1","-P 1","2","rotaxane","","","- C31 H33 Cl N5 O4 -","- C31 H33 Cl N5 O4 -","- C62 H66 Cl2 N10 O8 -","2","1","","Martins, Marcos A. P.; Zimmer, Geórgia Cristiane; Rodrigues, Leticia V.; Orlando, Tainára; Buriol, Lilian; Alajarin, Mateo; Berna, Jose; Frizzo, Clarissa Piccinin; Bonacorso, Helio Gauze; Zanatta, Nilo","Competition Between the Donor and Acceptor Hydrogen Bonds of the Threads in the Formation of [2]Rotaxane by Clipping Reaction","New J. Chem.","2017","","","","","10.1039/C7NJ02443F","","","0.71073","MoKα","","0.0676","0.0506","","","0.1417","0.1495","","","","","","1.082","","","","has coordinates","201683","2020-10-21","18:00:00",""
"7056660","6.9687","0.0003","12.1818","0.0006","16.6042","0.0009","90","","99.584","0.002","90","","1389.88","0.12","298","2","298","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","thread 1,3-pyrazole","'1,2-bis(aminocarbonyl-(5'-phenyl)-(1'-tert-butyl)-1H-pyrazole-3'-il)-ethane'","","- C30 H36 N6 O2 -","- C30 H36 N6 O2 -","- C60 H72 N12 O4 -","2","0.5","","Martins, Marcos A. P.; Zimmer, Geórgia Cristiane; Rodrigues, Leticia V.; Orlando, Tainára; Buriol, Lilian; Alajarin, Mateo; Berna, Jose; Frizzo, Clarissa Piccinin; Bonacorso, Helio Gauze; Zanatta, Nilo","Competition Between the Donor and Acceptor Hydrogen Bonds of the Threads in the Formation of [2]Rotaxane by Clipping Reaction","New J. Chem.","2017","","","","","10.1039/C7NJ02443F","","","0.71073","MoKα","","0.066","0.0506","","","0.1384","0.1538","","","","","","1.057","","","","has coordinates","201683","2020-10-21","18:00:00",""
"7056661","26.6417","0.0008","11.3041","0.0003","9.7939","0.0002","90","","91.318","0.002","90","","2948.75","0.13","293","2","293","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","1,5-thread-p-Ph-Cl","'1,2-bis(aminocarbonyl-(3'-(4""-chlorophenyl)-1'- (1',1'-tert-butyl)-1H-pyrazole-5'-il))-ethane'","","- C15 H17 Cl N3 O -","- C15 H17 Cl N3 O -","- C120 H136 Cl8 N24 O8 -","8","1","","Martins, Marcos A. P.; Zimmer, Geórgia Cristiane; Rodrigues, Leticia V.; Orlando, Tainára; Buriol, Lilian; Alajarin, Mateo; Berna, Jose; Frizzo, Clarissa Piccinin; Bonacorso, Helio Gauze; Zanatta, Nilo","Competition Between the Donor and Acceptor Hydrogen Bonds of the Threads in the Formation of [2]Rotaxane by Clipping Reaction","New J. Chem.","2017","","","","","10.1039/C7NJ02443F","","","0.71073","MoKα","","0.0485","0.0387","","","0.1041","0.1112","","","","","","1.052","","","","has coordinates","201683","2020-10-21","18:00:00",""
"7056662","13.0096","0.001","18.5432","0.0014","12.0412","0.0009","90","","100.744","0.003","90","","2853.9","0.4","293","2","293","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","thread-1,5-fenil","'1,2-bis(aminocarbonyl-(3'-phenyl)-(1'(tert-butyl)-1H-pyrazole-5'-il)ethane'","","- C30 H36 N6 O2 -","- C30 H36 N6 O2 -","- C120 H144 N24 O8 -","4","1","","Martins, Marcos A. P.; Zimmer, Geórgia Cristiane; Rodrigues, Leticia V.; Orlando, Tainára; Buriol, Lilian; Alajarin, Mateo; Berna, Jose; Frizzo, Clarissa Piccinin; Bonacorso, Helio Gauze; Zanatta, Nilo","Competition Between the Donor and Acceptor Hydrogen Bonds of the Threads in the Formation of [2]Rotaxane by Clipping Reaction","New J. Chem.","2017","","","","","10.1039/C7NJ02443F","","","1.54178","CuKα","","0.1086","0.0996","","","0.3381","0.3454","","","","","","1.176","","","","has coordinates","201683","2020-10-21","18:00:00",""
"7056663","6.6195","0.0013","8.2505","0.0019","12.924","0.005","96.15","0.03","99.794","0.018","97.771","0.014","683","0.3","296","2","296","2","","","","","","","N-cyanoguanidine","5","P -1","-P 1","2","2-carbamoylguanidinium p-toluensulfonate","N-carbamoylguanidinium p-toluensulfonate","","- C9 H14 N4 O4 S -","- C9 H14 N4 O4 S -","- C18 H28 N8 O8 S2 -","2","1","","Fernández-Stefanuto, V.; Verdía, P.; Tojo, E.","A new procedure to obtain ε-caprolactam catalyzed by a guanidinium salt","New J. Chem.","2017","","","","","10.1039/C7NJ03443A","","","1.54178","CuKα","","0.068","0.0573","","","0.1658","0.1763","","","","","","1.069","","","","has coordinates","201684","2020-10-21","18:00:00",""
"7056664","5.7367","0.0006","7.4012","0.0008","21.041","0.002","90","","91.012","0.002","90","","893.23","0.16","120","2","120","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C15 H34 I N -","- C15 H34 I N -","- C30 H68 I2 N2 -","2","1","","Roitershtein, Dmitrii M.; Puntus, Lada N.; Lyssenko, Konstantin A.; Taidakov, Ilya V.; Varaksina, Evgenia; Minyaev, Mikhail M.; Gerasin, Viktor Anatol'evich; Guseva, Maria A.; Vinogradov, Alexey V.; Savchenko, Maria S.; Nifant'ev, Ilya E.","An efficient route for design of luminescent composite materials based on polyethylene containing europium dibenzoylmethanate","New J. Chem.","2017","","","","","10.1039/C7NJ03055J","","","0.71073","MoKα","","0.0344","0.0276","","","0.0587","0.0622","","","","","","1.04","","","","has coordinates,has disorder","201685","2020-10-21","18:00:00",""
"7056665","25.835","0.002","8.3357","0.0008","25.37","0.002","90","","90.106","0.0019","90","","5463.5","0.8","120","2","120","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C64 H56 Eu Na O10 -","- C64 H56 Eu Na O10 -","- C256 H224 Eu4 Na4 O40 -","4","1","","Roitershtein, Dmitrii M.; Puntus, Lada N.; Lyssenko, Konstantin A.; Taidakov, Ilya V.; Varaksina, Evgenia; Minyaev, Mikhail M.; Gerasin, Viktor Anatol'evich; Guseva, Maria A.; Vinogradov, Alexey V.; Savchenko, Maria S.; Nifant'ev, Ilya E.","An efficient route for design of luminescent composite materials based on polyethylene containing europium dibenzoylmethanate","New J. Chem.","2017","","","","","10.1039/C7NJ03055J","","","0.71073","MoKα","","0.0502","0.0381","","","0.0773","0.0824","","","","","","0.977","","","","has coordinates,has disorder","201685","2020-10-21","18:00:00",""
"7056666","13.9894","0.0006","17.6752","0.0007","19.1128","0.0008","90","","90","","90","","4725.9","0.3","100","2","100","2","","","","","","","","7","P 21 21 21","P 2ac 2ab","19","","","","- C54 H61 B Ir N2 O3 P -","- C54 H61 B Ir N2 O3 P -","- C216 H244 B4 Ir4 N8 O12 P4 -","4","1","","Albertin, Gabriele; Antoniutti, Stefano; Bortoluzzi, Marco; Castro, Jesús; Sibilla, Francesca; Trave, Enrico","Preparation of metalated azine complexes of iridium(iii)","New J. Chem.","2017","","","","","10.1039/C7NJ02224G","","","0.71073","MoKα","","0.0244","0.0217","","","0.039","0.0398","","","","","","1.067","","","","has coordinates","201880","2020-10-21","18:00:00",""
"7056667","8.8062","0.0018","17.518","0.004","8.1176","0.0016","90","","103.15","0.03","90","","1219.4","0.5","293","2","293","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C10 H11 N5 O5 -","- C10 H11 N5 O5 -","- C40 H44 N20 O20 -","4","1","","Wang, Jin-Wen; Li, Yao-Jia; Chen, Chen; Luo, Yang-Hui; Sun, Baiwang","Substituent swap affect the crystal structure and properties of N-benzyl-4-amino-1, 2, 4-triazole related organic salts","New J. Chem.","2017","","","","","10.1039/C7NJ03445H","","","0.71073","MoKα","","0.1555","0.0875","","","0.1798","0.2043","","","","","","1.169","","","","has coordinates","201881","2020-10-21","18:00:00",""
"7056668","4.2","0.0008","8.507","0.0017","17.069","0.003","90","","94.05","0.03","90","","608.3","0.2","293","2","293","2","","","","","","","","4","P 1 n 1","P -2yac","7","","","","- C10 H11 N5 O5 -","- C10 H11 N5 O5 -","- C20 H22 N10 O10 -","2","1","","Wang, Jin-Wen; Li, Yao-Jia; Chen, Chen; Luo, Yang-Hui; Sun, Baiwang","Substituent swap affect the crystal structure and properties of N-benzyl-4-amino-1, 2, 4-triazole related organic salts","New J. Chem.","2017","","","","","10.1039/C7NJ03445H","","","0.71073","MoKα","","0.0458","0.0404","","","0.1162","0.1226","","","","","","1.001","","","","has coordinates","201881","2020-10-21","18:00:00",""
"7056669","4.419","0.0009","8.581","0.0017","17.499","0.004","90","","91.35","0.03","90","","663.4","0.2","293","2","293","2","","","","","","","","5","P 1 n 1","P -2yac","7","","","","- C10 H11 Cl N4 O6 -","- C10 H11 Cl N4 O6 -","- C20 H22 Cl2 N8 O12 -","2","1","","Wang, Jin-Wen; Li, Yao-Jia; Chen, Chen; Luo, Yang-Hui; Sun, Baiwang","Substituent swap affect the crystal structure and properties of N-benzyl-4-amino-1, 2, 4-triazole related organic salts","New J. Chem.","2017","","","","","10.1039/C7NJ03445H","","","0.71073","MoKα","","0.0681","0.0553","","","0.1418","0.153","","","","","","1.08","","","","has coordinates","201881","2020-10-21","18:00:00",""
"7056670","21.2012","0.0014","7.069","0.003","17.137","","90","","90","","90","","2568.3","1.1","293","2","293","2","","","","","","","","5","P c a 21","P 2c -2ac","29","","","","- C20 H25 N8 O9 P -","- C20 H25 N8 O9 P -","- C80 H100 N32 O36 P4 -","4","1","","Wang, Jin-Wen; Li, Yao-Jia; Chen, Chen; Luo, Yang-Hui; Sun, Baiwang","Substituent swap affect the crystal structure and properties of N-benzyl-4-amino-1, 2, 4-triazole related organic salts","New J. Chem.","2017","","","","","10.1039/C7NJ03445H","","","0.71073","MoKα","","0.1354","0.0923","","","0.2198","0.244","","","","","","1.069","","","","has coordinates","201881","2020-10-21","18:00:00",""
"7056671","8.011","0.0016","11.071","0.002","13.968","0.003","100.75","0.03","91.99","0.03","108.46","0.03","1148.6","0.5","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C20 H21 Cl N8 O8 -","- C20 H21 Cl N8 O8 -","- C40 H42 Cl2 N16 O16 -","2","1","","Wang, Jin-Wen; Li, Yao-Jia; Chen, Chen; Luo, Yang-Hui; Sun, Baiwang","Substituent swap affect the crystal structure and properties of N-benzyl-4-amino-1, 2, 4-triazole related organic salts","New J. Chem.","2017","","","","","10.1039/C7NJ03445H","","","0.71073","MoKα","","0.0863","0.0581","","","0.1522","0.1712","","","","","","1.059","","","","has coordinates","201881","2020-10-21","18:00:00",""
"7056672","4.4091","0.0009","8.6022","0.0017","17.525","0.004","90","","91.34","0.03","90","","664.5","0.2","293","2","293","2","","","","","","","","5","P 1 n 1","P -2yac","7","","","","- C10 H13 N4 O6 P -","- C10 H13 N4 O6 P -","- C20 H26 N8 O12 P2 -","2","1","","Wang, Jin-Wen; Li, Yao-Jia; Chen, Chen; Luo, Yang-Hui; Sun, Baiwang","Substituent swap affect the crystal structure and properties of N-benzyl-4-amino-1, 2, 4-triazole related organic salts","New J. Chem.","2017","","","","","10.1039/C7NJ03445H","","","0.71073","MoKα","","0.075","0.0558","","","0.1205","0.1404","","","","","","0.995","","","","has coordinates","201881","2020-10-21","18:00:00",""
"7056673","5.422","0.0011","10.436","0.002","17.944","0.004","90","","91.2","0.03","90","","1015.1","0.4","293","2","293","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C10 H10 N4 O2 -","- C10 H10 N4 O2 -","- C40 H40 N16 O8 -","4","1","","Wang, Jin-Wen; Li, Yao-Jia; Chen, Chen; Luo, Yang-Hui; Sun, Baiwang","Substituent swap affect the crystal structure and properties of N-benzyl-4-amino-1, 2, 4-triazole related organic salts","New J. Chem.","2017","","","","","10.1039/C7NJ03445H","","","0.71073","MoKα","","0.1","0.0561","","","0.1331","0.1581","","","","","","1.002","","","","has coordinates","201881","2020-10-21","18:00:00",""
"7056674","5.835","0.0004","8.6412","0.0006","15.4578","0.001","85.662","0.001","83.585","0.001","86.652","0.001","771.32","0.09","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C15 H17 Cl O S2 -","- C15 H17 Cl O S2 -","- C30 H34 Cl2 O2 S4 -","2","1","","Kurva, Srinivas; Sriramoju, Vinodkumar; Madabhushi, Sridhar; Nanubolu, Jagadeesh Babu","Synthesis of polysubstituted 3,4-dihydro-2H-thiopyrans by regioselective annulation of 3,3-disubstituted allylic alcohols with a β-oxodithioester","New J. Chem.","2017","","","","","10.1039/C7NJ03025H","","","0.71073","MoKα","","0.0404","0.0376","","","0.1039","0.1066","","","","","","1.07","","","","has coordinates","201882","2020-10-21","18:00:00",""
"7056675","11.3734","0.0005","7.9651","0.0003","15.65","0.0007","90","","94.572","0.002","90","","1413.23","0.1","223","2","223","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","Ethyl 4',6'-dimethyl-2-oxo-2H-[1,2'-bipyridine]-5-carboxylate","","- C15 H16 N2 O3 -","- C15 H16 N2 O3 -","- C60 H64 N8 O12 -","4","1","","Akhtar, Muhammad Saeed; Shim, Jae-Jin; Kim, Sung Hong; Lee, Yong Rok","Novel construction of diversely functionalized N-heteroaryl-2-pyridones via copper(ii)-catalyzed [3+2+1] annulation","New J. Chem.","2017","","","","","10.1039/C7NJ03013D","","","0.71073","MoKα","","0.0763","0.0459","","","0.1101","0.1283","","","","","","1.038","","","","has coordinates","201883","2020-10-21","18:00:00",""
"7056676","13.1184","0.0006","12.6369","0.0005","32.3036","0.0012","90","","96.168","0.004","90","","5324.2","0.4","293","2","293","2","","","","","","","","7","P 1 n 1","P -2yac","7","","","","- C32 H113 Er Ge2 Mo22 N8 O100 -","- C20 H50 Er Ge2 Mo22 N5 O83 -","- C40 H100 Er2 Ge4 Mo44 N10 O166 -","2","1","","Jin, Zhanbin; Bai, Jie; Wei, Tingting; Li, Fengyan; Song, Chunli; Luo, Xinze; Xu, Lin","New series of mononuclear lanthanide single molecule magnets based on sandwich-type germanomolybdates [Ln(GeMo11O39)2]13- (Ln = ErIII, GdIII, DyIII or TbIII)","New J. Chem.","2017","","","","","10.1039/C7NJ02104F","","","0.71073","MoKα","","0.053","0.0452","","","0.1032","0.1082","","","","","","1.013","","","","has coordinates","201884","2020-10-21","18:00:00",""
"7056677","13.2175","0.0003","12.7258","0.0004","32.5224","0.001","90","","96.203","0.003","90","","5438.3","0.3","293","2","293","2","","","","","","","","7","P 1 n 1","P -2yac","7","","","","- C32 H111 Gd Ge2 Mo22 N8 O99 -","- C28 H68 Gd Ge2 Mo22 N7 O85 -","- C56 H136 Gd2 Ge4 Mo44 N14 O170 -","2","1","","Jin, Zhanbin; Bai, Jie; Wei, Tingting; Li, Fengyan; Song, Chunli; Luo, Xinze; Xu, Lin","New series of mononuclear lanthanide single molecule magnets based on sandwich-type germanomolybdates [Ln(GeMo11O39)2]13- (Ln = ErIII, GdIII, DyIII or TbIII)","New J. Chem.","2017","","","","","10.1039/C7NJ02104F","","","0.71073","MoKα","","0.0409","0.0391","","","0.1007","0.1023","","","","","","1.024","","","","has coordinates","201884","2020-10-21","18:00:00",""
"7056678","13.2127","0.0003","12.7291","0.0003","32.5182","0.001","90","","96.158","0.002","90","","5437.5","0.2","293","2","293","2","","","","","","","","7","P 1 n 1","P -2yac","7","","","","- C32 H115 Dy Ge2 Mo22 N8 O101 -","- C24 H56 Dy Ge2 Mo22 N6 O84 -","- C48 H112 Dy2 Ge4 Mo44 N12 O168 -","2","1","","Jin, Zhanbin; Bai, Jie; Wei, Tingting; Li, Fengyan; Song, Chunli; Luo, Xinze; Xu, Lin","New series of mononuclear lanthanide single molecule magnets based on sandwich-type germanomolybdates [Ln(GeMo11O39)2]13- (Ln = ErIII, GdIII, DyIII or TbIII)","New J. Chem.","2017","","","","","10.1039/C7NJ02104F","","","0.71073","MoKα","","0.0417","0.0399","","","0.111","0.1129","","","","","","1.04","","","","has coordinates","201884","2020-10-21","18:00:00",""
"7056679","13.2174","0.0006","12.7175","0.0006","32.4095","0.0014","90","","96.294","0.004","90","","5415","0.4","293","2","293","2","","","","","","","","7","P 1 n 1","P -2yac","7","","","","- C32 H113 Ge2 Mo22 N8 O100 Tb -","- C28 H56 Ge2 Mo22 N7 O85 Tb -","- C56 H112 Ge4 Mo44 N14 O170 Tb2 -","2","1","","Jin, Zhanbin; Bai, Jie; Wei, Tingting; Li, Fengyan; Song, Chunli; Luo, Xinze; Xu, Lin","New series of mononuclear lanthanide single molecule magnets based on sandwich-type germanomolybdates [Ln(GeMo11O39)2]13- (Ln = ErIII, GdIII, DyIII or TbIII)","New J. Chem.","2017","","","","","10.1039/C7NJ02104F","","","0.71073","MoKα","","0.0382","0.0363","","","0.0962","0.0977","","","","","","1.023","","","","has coordinates","201884","2020-10-21","18:00:00",""
"7056680","9.5639","0.0005","29.929","0.0012","10.7888","0.0005","90","","116.105","0.006","90","","2773.1","0.3","100.01","0.1","100.01","0.1","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C30 H29 N6 Ni O3.75 S -","- C30 H29.606 N6 Ni O3.803 S -","- C120 H118.424 N24 Ni4 O15.212 S4 -","4","1","","Vereshchagin, Anatoliy A.; Sizov, Vladimir; Vlasov, Petr; Alekseeva, Elena V.; Konev, Alexander S.; Levin, Oleg V.","Water-stable [Ni(salen)]-type electrode material based on phenylazosubstituted salicylic aldehyde imine ligand","New J. Chem.","2017","","","","","10.1039/C7NJ03526H","","x-ray","1.54184","CuKα","","0.0634","0.0549","","","0.1377","0.1469","","","","","","1.043","","","","has coordinates,has disorder","201907","2020-10-21","18:00:00",""
"7056681","18.2388","0.0001","51.6192","0.0004","20.9479","0.0002","90","","102.414","0.0003","90","","19260.7","0.3","296","2","296","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C128 N15 O69 Si2 W20 Zn -","- C128 N15 O69 Si2 W20 Zn -","- C512 N60 O276 Si8 W80 Zn4 -","4","1","","Jeong, Jinu; Suzuki, Kosuke; Yamaguchi, Kazuya; Mizuno, Noritaka","Visible-light-responsive catalysis of a zinc-introduced lacunary disilicoicosatungstate for deoxygenation of pyridine N-oxides","New J. Chem.","2017","","","","","10.1039/C7NJ03057F","","","0.71069","MoKα","","0.0932","0.0777","","","0.1782","0.191","","","","","","1.2","","","","has coordinates","201937","2020-10-21","18:00:00",""
"7056682","23.021","0.005","16.305","0.003","24.931","0.005","90","","108.69","0.03","90","","8865","3","150","2","150","2","","","","","","","","8","C 1 2/c 1","-C 2yc","15","","","","- C76 H70 Ca Cl14 Mo6 N2 O6 P4 -","- C76 H70 Ca Cl14 Mo6 N2 O6 P4 -","- C304 H280 Ca4 Cl56 Mo24 N8 O24 P16 -","4","0.5","","Evtushok, Darya V.; Vorotnikova, Natalya A.; Logvinenko, Vladimir A.; Smolentsev, Anton I.; Brylev, Konstantin; Plyusnin, Pavel E.; Pishchur, Denis P.; Kitamura, N.; Mironov, Yuri V.; Solovieva, Anastasiya O.; Efremova, Olga A.; Shestopalov, Michael A.","Luminescent Coordination Polymers Based on Ca2+ and Octahedral Cluster Anions [{M6Cli8}Cla6]2‒ (M = Mo, W): Synthesis and Thermal Stability Studies","New J. Chem.","2017","","","","","10.1039/C7NJ02858J","","","0.71073","MoKα","","0.0607","0.0331","","","0.0757","0.0829","","","","","","1.023","","","","has coordinates","202014","2020-10-21","18:00:00",""
"7056683","25.3726","0.001","14.1362","0.0006","24.2685","0.0011","90","","113.212","0.001","90","","7999.8","0.6","150","2","150","2","","","","","","","","7","C 1 2/c 1","-C 2yc","15","","","","- C72 H60 Ca Cl14 O4 P4 W6 -","- C72 H60 Ca Cl14 O4 P4 W6 -","- C288 H240 Ca4 Cl56 O16 P16 W24 -","4","0.5","","Evtushok, Darya V.; Vorotnikova, Natalya A.; Logvinenko, Vladimir A.; Smolentsev, Anton I.; Brylev, Konstantin; Plyusnin, Pavel E.; Pishchur, Denis P.; Kitamura, N.; Mironov, Yuri V.; Solovieva, Anastasiya O.; Efremova, Olga A.; Shestopalov, Michael A.","Luminescent Coordination Polymers Based on Ca2+ and Octahedral Cluster Anions [{M6Cli8}Cla6]2‒ (M = Mo, W): Synthesis and Thermal Stability Studies","New J. Chem.","2017","","","","","10.1039/C7NJ02858J","","","0.71073","MoKα","","0.0707","0.0367","","","0.0739","0.0818","","","","","","0.98","","","","has coordinates","202014","2020-10-21","18:00:00",""
"7056684","22.955","0.005","16.219","0.003","24.818","0.005","90","","108.58","0.03","90","","8758","3","150","2","150","2","","","","","","","","8","C 1 2/c 1","-C 2yc","15","","","","- C76 H70 Ca Cl14 N2 O6 P4 W6 -","- C76 H70 Ca Cl14 N2 O6 P4 W6 -","- C304 H280 Ca4 Cl56 N8 O24 P16 W24 -","4","0.5","","Evtushok, Darya V.; Vorotnikova, Natalya A.; Logvinenko, Vladimir A.; Smolentsev, Anton I.; Brylev, Konstantin; Plyusnin, Pavel E.; Pishchur, Denis P.; Kitamura, N.; Mironov, Yuri V.; Solovieva, Anastasiya O.; Efremova, Olga A.; Shestopalov, Michael A.","Luminescent Coordination Polymers Based on Ca2+ and Octahedral Cluster Anions [{M6Cli8}Cla6]2‒ (M = Mo, W): Synthesis and Thermal Stability Studies","New J. Chem.","2017","","","","","10.1039/C7NJ02858J","","","0.71073","MoKα","","0.0756","0.0616","","","0.1328","0.1471","","","","","","0.985","","","","has coordinates","202014","2020-10-21","18:00:00",""
"7056685","8.871","0.0007","16.8165","0.0014","21.3749","0.0014","90","","114.521","0.002","90","","2901.1","0.4","100","2","100","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C24 H40 B Cu F4 N8 -","- C24 H40 B Cu F4 N8 -","- C96 H160 B4 Cu4 F16 N32 -","4","1","","Melekhova, Anna A.; Novikov, Alexander S.; Panikorovsky, Taras L.; Bokach, Nadezhda A.; Kukushkin, Vadim Yu.","Novel Family of Homoleptic Copper(I) Complexes Featuring Disubstituted Cyanamides: Combined Synthetic, Structural, and Theoretical Study","New J. Chem.","2017","","","","","10.1039/C7NJ02798B","","","0.71073","MoKα","","0.0524","0.042","","","0.1024","0.1082","","","","","","1.079","","","","has coordinates","202048","2020-10-21","18:00:00",""
"7056686","9.8926","0.0002","17.9661","0.0003","15.057","0.0002","90","","91.906","0.002","90","","2674.62","0.08","100","2","100","2","","","","","","","","7","P 1 21 1","P 2yb","4","","","","- C20 H32 B Cu F4 N8 O4 -","- C20 H32 B Cu F4 N8 O4 -","- C80 H128 B4 Cu4 F16 N32 O16 -","4","2","","Melekhova, Anna A.; Novikov, Alexander S.; Panikorovsky, Taras L.; Bokach, Nadezhda A.; Kukushkin, Vadim Yu.","Novel Family of Homoleptic Copper(I) Complexes Featuring Disubstituted Cyanamides: Combined Synthetic, Structural, and Theoretical Study","New J. Chem.","2017","","","","","10.1039/C7NJ02798B","","","0.71073","MoKα","","0.0274","0.0251","","","0.0604","0.0618","","","","","","1.028","","","","has coordinates","202048","2020-10-21","18:00:00",""
"7056687","12.423","0.0004","12.423","0.0004","26.376","0.002","90","","90","","90","","4070.6","0.4","100","2","100","2","","","","","","","","6","I -4 2 d","I -4 2bw","122","","","","- C12 H24 B Cu F4 N8 -","- C12 H24 B Cu F4 N8 -","- C96 H192 B8 Cu8 F32 N64 -","8","0.5","","Melekhova, Anna A.; Novikov, Alexander S.; Panikorovsky, Taras L.; Bokach, Nadezhda A.; Kukushkin, Vadim Yu.","Novel Family of Homoleptic Copper(I) Complexes Featuring Disubstituted Cyanamides: Combined Synthetic, Structural, and Theoretical Study","New J. Chem.","2017","","","","","10.1039/C7NJ02798B","","","0.71073","MoKα","","0.0274","0.0218","","","0.0528","0.0557","","","","","","1.142","","","","has coordinates","202048","2020-10-21","18:00:00",""
"7056688","10.0889","0.0013","12.1516","0.0015","13.1028","0.0018","105.885","0.003","98.459","0.004","98.029","0.004","1500.6","0.3","123","2","123","2","","","","","","","","8","P -1","-P 1","2","","[Fe(qsal-Cl)(qsal-Br)]NCS MeOH","","- C34 H24 Br Cl Fe N5 O3 S -","- C34 H24 Br Cl Fe N5 O3 S -","- C68 H48 Br2 Cl2 Fe2 N10 O6 S2 -","2","1","","Phonsri, Wasinee; Harding, Phimphaka; Murray, Keith S.; Moubaraki, Boujemaa; Harding, David J.","Spin crossover in mixed ligand iron(III) complexes","New J. Chem.","2017","","","","","10.1039/C7NJ03676K","","","0.71073","MoKα","","0.1044","0.0903","","","0.2435","0.2518","","","","","","1.08","","","","has coordinates,has disorder","202145","2020-10-21","18:00:00",""
"7056689","13.6206","0.0005","13.6929","0.0005","16.2779","0.0006","112.954","0.002","96.785","0.002","110.518","0.002","2501.27","0.18","123","2","123","2","","","","","","","","8","P -1","-P 1","2","","","","- C58 H44 B Br Cl5 Fe N4 O2 -","- C58 H44 B Br Cl5 Fe N4 O2 -","- C116 H88 B2 Br2 Cl10 Fe2 N8 O4 -","2","1","","Phonsri, Wasinee; Harding, Phimphaka; Murray, Keith S.; Moubaraki, Boujemaa; Harding, David J.","Spin crossover in mixed ligand iron(III) complexes","New J. Chem.","2017","","","","","10.1039/C7NJ03676K","","","0.71073","MoKα","","0.1152","0.0548","","","0.111","0.1331","","","","","","1.025","","","","has coordinates,has disorder","202145","2020-10-21","18:00:00",""
"7056690","14.0102","0.0007","19.1475","0.0009","12.2634","0.0005","90","","111.177","0.001","90","","3067.6","0.2","123","2","123","2","","","","","","","","9","P 1 21/c 1","-P 2ybc","14","","[Fe(qsal-Cl)(qsal-Br)]CF3SO3","","- C33.5 H20.5 Br Cl F3 Fe N4 O5.5 S -","- C33.5 H20.5 Br Cl F3 Fe N4 O5.5 S -","- C134 H82 Br4 Cl4 F12 Fe4 N16 O22 S4 -","4","1","","Phonsri, Wasinee; Harding, Phimphaka; Murray, Keith S.; Moubaraki, Boujemaa; Harding, David J.","Spin crossover in mixed ligand iron(III) complexes","New J. Chem.","2017","","","","","10.1039/C7NJ03676K","","","0.71073","MoKα","","0.0812","0.0534","","","0.1366","0.1522","","","","","","1.049","","","","has coordinates,has disorder","202145","2020-10-21","18:00:00",""
"7056691","13.719","0.002","14.012","0.003","16.606","0.005","113.81","0.02","96.164","0.018","110.831","0.019","2609.4","1.3","267","9","267","9","","","","","","","","8","P -1","-P 1","2","","[Fe(qsal-Cl)(qsal-Br)]BPh4","","- C58 H44 B Br Cl5 Fe N4 O2 -","- C58 H44 B Br Cl5 Fe N4 O2 -","- C116 H88 B2 Br2 Cl10 Fe2 N8 O4 -","2","1","","Phonsri, Wasinee; Harding, Phimphaka; Murray, Keith S.; Moubaraki, Boujemaa; Harding, David J.","Spin crossover in mixed ligand iron(III) complexes","New J. Chem.","2017","","","","","10.1039/C7NJ03676K","","","0.7107","MoKα","","0.193","0.0869","","","0.2265","0.3093","","","","","","0.948","","","","has coordinates,has disorder","202145","2020-10-21","18:00:00",""
"7056692","10.3803","0.0006","12.557","0.0007","23.1729","0.0014","86.246","0.003","81.312","0.003","89.492","0.003","2979.4","0.3","123","2","123","2","","","","","","","","9","P -1","-P 1","2","","[Fe(qsal-Cl)(qsal-Br)]PF6","","- C32 H20 Br Cl F6 Fe N4 O2 P -","- C32 H20 Br Cl F6 Fe N4 O2 P -","- C128 H80 Br4 Cl4 F24 Fe4 N16 O8 P4 -","4","2","","Phonsri, Wasinee; Harding, Phimphaka; Murray, Keith S.; Moubaraki, Boujemaa; Harding, David J.","Spin crossover in mixed ligand iron(III) complexes","New J. Chem.","2017","","","","","10.1039/C7NJ03676K","","","0.71073","MoKα","","0.167","0.0552","","","0.0752","0.0953","","","","","","0.76","","","","has coordinates,has disorder","202145","2020-10-21","18:00:00",""
"7056693","13.5484","0.0008","13.5845","0.0006","16.3212","0.001","97.29","0.004","112.892","0.005","109.908","0.005","2482.6","0.3","100.01","0.1","100.01","0.1","","","","","","","","8","P -1","-P 1","2","","[Fe(qsal-Cl)(qsal-Br)]BPh4","","- C58 H44 B Br Cl5 Fe N4 O2 -","- C58 H44 B Br Cl5 Fe N4 O2 -","- C116 H88 B2 Br2 Cl10 Fe2 N8 O4 -","2","1","","Phonsri, Wasinee; Harding, Phimphaka; Murray, Keith S.; Moubaraki, Boujemaa; Harding, David J.","Spin crossover in mixed ligand iron(III) complexes","New J. Chem.","2017","","","","","10.1039/C7NJ03676K","","","0.7107","MoKα","","0.0826","0.0476","","","0.1042","0.122","","","","","","1.007","","","","has coordinates,has disorder","202145","2020-10-21","18:00:00",""
"7056694","11.8119","0.0004","13.0851","0.0004","13.4912","0.0004","90.401","0.001","91.035","0.001","107.506","0.002","1988.13","0.11","150","2","150","2","","","","","","","","6","P -1","-P 1","2","","","","- C13 H19 Cl2 Cu N3 O -","- C13 H19 Cl2 Cu N3 O -","- C52 H76 Cl8 Cu4 N12 O4 -","4","2","","Kumari, Sweta; Mahato, Arun Kumar; Maurya, Abhishek; Singh, Vijay Kumar; Kesharwani, Neha; Kachhap, Payal; Koshevoy, Igor O.; Haldar, Chanchal","Syntheses and characterization of monobasic tridentate Cu(ii) Schiff-base complexes for efficient oxidation of 3,5-di-tert-butylcatechol and oxidative bromination of organic substrates","New J. Chem.","2017","","","","","10.1039/C7NJ00957G","","","0.71073","MoKα","","0.0497","0.0327","","","0.0778","0.0839","","","","","","1.031","","","","has coordinates","202241","2020-10-21","18:00:00",""
"7056695","22.4034","0.0016","14.9191","0.0016","20.435","0.002","90","","113.618","0.004","90","","6258","1","296","2","296","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C30 H74 Co7 N12 O22 S6 -","- C30 H54 Co7 N12 O12 S6 -","- C120 H216 Co28 N48 O48 S24 -","4","0.5","","Ahamad, M. Naqi; Sama, Farasha; Akhtar, Muhammad Nadeem; Chen, Yan-Cong; Tong, Mingliang; Ahmad, Musheer; Shahid, M.; Hussain, Sahid; Khan, Kulsum","A disc like Co7 cluster with solvent dependent catecholase activity","New J. Chem.","2017","","","","","10.1039/C7NJ03149A","","","0.71073","MoKα","","0.1268","0.0664","","","0.1514","0.1793","","","","","","1.027","","","","has coordinates","202242","2020-10-21","18:00:00",""
"7056696","13.66","0.03","19.02","0.04","10.88","0.02","90","","90","","90","","2827","10","273","2","273","2","","","","","","","","5","P n a 21","P 2c -2n","33","","","","- C16 H14 Fe N2 O2 -","- C16 H14 Fe N2 O2 -","- C128 H112 Fe8 N16 O16 -","8","2","","Deb, Mayukh; Singh, Jatinder; Mallik, Shuvadip; Hazra, Susanta; Elias, Anil J.","Borylation, silylation and selenation of C-H bonds in metal sandwich compounds by applying a directing group strategy","New J. Chem.","2017","","","","","10.1039/C7NJ02388J","","","0.71073","MoKα","","0.0653","0.0445","","","0.0822","0.0898","","","","","","0.921","","","","has coordinates","202263","2020-10-21","18:00:00",""
"7056697","11.285","0.019","13.21","0.02","15.82","0.03","98.5","0.02","97.19","0.04","107.13","0.03","2193","6","273","2","273","2","","","","","","","","8","P -1","-P 1","2","","","","- C46 H39 Cl2 Co N2 O3 Pd S -","- C46 H39 Cl2 Co N2 O3 Pd S -","- C92 H78 Cl4 Co2 N4 O6 Pd2 S2 -","2","1","","Deb, Mayukh; Singh, Jatinder; Mallik, Shuvadip; Hazra, Susanta; Elias, Anil J.","Borylation, silylation and selenation of C-H bonds in metal sandwich compounds by applying a directing group strategy","New J. Chem.","2017","","","","","10.1039/C7NJ02388J","","","0.71073","MoKα","","0.0566","0.0426","","","0.1035","0.1112","","","","","","1.005","","","","has coordinates","202263","2020-10-21","18:00:00",""
"7056698","11.024","0.011","20.65","0.02","14.762","0.011","90","","97.1","0.03","90","","3335","5","273","2","273","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C41 H30 Co N3 O2 Pd -","- C41 H30 Co N3 O2 Pd -","- C164 H120 Co4 N12 O8 Pd4 -","4","1","","Deb, Mayukh; Singh, Jatinder; Mallik, Shuvadip; Hazra, Susanta; Elias, Anil J.","Borylation, silylation and selenation of C-H bonds in metal sandwich compounds by applying a directing group strategy","New J. Chem.","2017","","","","","10.1039/C7NJ02388J","","","0.71073","MoKα","","0.1168","0.0498","","","0.0634","0.0749","","","","","","0.724","","","","has coordinates","202263","2020-10-21","18:00:00",""
"7056699","12.92","0.04","14.34","0.04","17.16","0.06","90","","93.61","0.03","90","","3173","17","273","2","273","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C39 H29 Co N2 O2 -","- C39 H29 Co N2 O2 -","- C156 H116 Co4 N8 O8 -","4","1","","Deb, Mayukh; Singh, Jatinder; Mallik, Shuvadip; Hazra, Susanta; Elias, Anil J.","Borylation, silylation and selenation of C-H bonds in metal sandwich compounds by applying a directing group strategy","New J. Chem.","2017","","","","","10.1039/C7NJ02388J","","","0.71073","MoKα","","0.0754","0.0438","","","0.0849","0.0924","","","","","","0.882","","","","has coordinates","202263","2020-10-21","18:00:00",""
"7056700","10.27","0.02","16.5","0.03","23.24","0.05","90","","90","","90","","3938","13","273","2","273","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C49 H35 Co N2 O Se -","- C49 H35 Co N2 O Se -","- C196 H140 Co4 N8 O4 Se4 -","4","1","","Deb, Mayukh; Singh, Jatinder; Mallik, Shuvadip; Hazra, Susanta; Elias, Anil J.","Borylation, silylation and selenation of C-H bonds in metal sandwich compounds by applying a directing group strategy","New J. Chem.","2017","","","","","10.1039/C7NJ02388J","","","0.71073","MoKα","","0.1529","0.094","","","0.1256","0.1426","","","","","","1.064","","","","has coordinates","202263","2020-10-21","18:00:00",""
"7056701","10.257","0.002","11.746","0.002","18.873","0.004","96.25","0.03","92.91","0.03","94.13","0.03","2250.5","0.8","273","2","273","2","","","","","","","","8","P -1","-P 1","2","","","","- C48 H44 B Cl3 Co N O3 S -","- C48 H44 B Cl3 Co N O3 S -","- C96 H88 B2 Cl6 Co2 N2 O6 S2 -","2","1","","Deb, Mayukh; Singh, Jatinder; Mallik, Shuvadip; Hazra, Susanta; Elias, Anil J.","Borylation, silylation and selenation of C-H bonds in metal sandwich compounds by applying a directing group strategy","New J. Chem.","2017","","","","","10.1039/C7NJ02388J","","","0.71073","MoKα","","0.1639","0.0626","","","0.1201","0.1506","","","","","","0.776","","","","has coordinates","202263","2020-10-21","18:00:00",""
"7056702","11.64","0.05","13.37","0.05","13.68","0.06","65.93","0.1","78.53","0.07","77.94","0.07","1885","14","273","2","273","2","","","","","","","","6","P -1","-P 1","2","","","","- C45 H40 B Co N2 O3 -","- C45 H40 B Co N2 O3 -","- C90 H80 B2 Co2 N4 O6 -","2","1","","Deb, Mayukh; Singh, Jatinder; Mallik, Shuvadip; Hazra, Susanta; Elias, Anil J.","Borylation, silylation and selenation of C-H bonds in metal sandwich compounds by applying a directing group strategy","New J. Chem.","2017","","","","","10.1039/C7NJ02388J","","","0.71073","MoKα","","0.096","0.0529","","","0.0901","0.1025","","","","","","0.832","","","","has coordinates","202263","2020-10-21","18:00:00",""
"7056703","13","0.03","13.25","0.03","23.77","0.05","84.63","0.02","86.64","0.02","72.88","0.03","3894","15","273","2","273","2","","","","","","","","7","P -1","-P 1","2","","","","- C44 H40 Co N O S Si -","- C44 H40 Co N O S Si -","- C176 H160 Co4 N4 O4 S4 Si4 -","4","2","","Deb, Mayukh; Singh, Jatinder; Mallik, Shuvadip; Hazra, Susanta; Elias, Anil J.","Borylation, silylation and selenation of C-H bonds in metal sandwich compounds by applying a directing group strategy","New J. Chem.","2017","","","","","10.1039/C7NJ02388J","","","0.71073","MoKα","","0.0966","0.0559","","","0.1212","0.1339","","","","","","0.916","","","","has coordinates","202263","2020-10-21","18:00:00",""
"7056704","11.255","0.006","22.409","0.01","12.599","0.006","90","","90.186","0.016","90","","3178","3","304","2","304","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C41 H32 Co N O S -","- C41 H32 Co N O S -","- C164 H128 Co4 N4 O4 S4 -","4","1","","Deb, Mayukh; Singh, Jatinder; Mallik, Shuvadip; Hazra, Susanta; Elias, Anil J.","Borylation, silylation and selenation of C-H bonds in metal sandwich compounds by applying a directing group strategy","New J. Chem.","2017","","","","","10.1039/C7NJ02388J","","","0.71073","MoKα","","0.0869","0.0467","","","0.1073","0.1237","","","","","","1.025","","","","has coordinates","202263","2020-10-21","18:00:00",""
"7056705","10.8","0.03","11.71","0.03","15.37","0.04","95.62","0.04","101.53","0.04","103.73","0.04","1828","8","293","2","293","2","","","","","","","","6","P -1","-P 1","2","","","","- C18 H16 Fe N3 O2.5 Pd -","- C18 H16 Fe N3 O2.5 Pd -","- C72 H64 Fe4 N12 O10 Pd4 -","4","2","","Deb, Mayukh; Singh, Jatinder; Mallik, Shuvadip; Hazra, Susanta; Elias, Anil J.","Borylation, silylation and selenation of C-H bonds in metal sandwich compounds by applying a directing group strategy","New J. Chem.","2017","","","","","10.1039/C7NJ02388J","","","0.71073","MoKα","","0.0816","0.05","","","0.1147","0.134","","","","","","0.931","","","","has coordinates","206489","2020-10-21","18:00:00",""
"7056706","9.91","0.03","12.38","0.03","14.01","0.04","90","","90","","90","","1719","8","273","2","273","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C18 H17 Fe N O S -","- C18 H17 Fe N O S -","- C72 H68 Fe4 N4 O4 S4 -","4","1","","Deb, Mayukh; Singh, Jatinder; Mallik, Shuvadip; Hazra, Susanta; Elias, Anil J.","Borylation, silylation and selenation of C-H bonds in metal sandwich compounds by applying a directing group strategy","New J. Chem.","2017","","","","","10.1039/C7NJ02388J","","","0.71073","MoKα","","0.0533","0.0377","","","0.0643","0.0687","","","","","","0.864","","","","has coordinates","202263","2020-10-21","18:00:00",""
"7056707","14.2613","0.0007","14.2613","0.0007","30.489","0.002","90","","90","","120","","5370.2","0.5","293","2","293","2","","","","","","","","5","R -3 :H","-R 3","148","","","","- C39 H28 Fe N6 O6.5 -","- C39 H27.9999 Fe N6 O6.5 -","- C234 H167.999 Fe6 N36 O39 -","6","0.333333","","Lee, Sze-Ling; Hu, Fei-long; Shang, Xiu-Juan; Shi, Yi-Xiang; Tan, Ai Ling; Mizera, Jens; Clegg, Jack Kay; Zhang, Wen-Hua; Young, David James; Lang, Jian-Ping","Efficient ring-opening polymerization (ROP) of ɛ-caprolactone catalysed by isomeric pyridyl β-diketonate iron(lll) complexes","New J. Chem.","2017","","","","","10.1039/C7NJ03571C","","","0.71073","MoKα","","0.1015","0.0751","","","0.2468","0.2725","","","","","","1.099","","","","has coordinates,has disorder","202295","2020-10-21","18:00:00",""
"7056708","10.5081","0.0012","12.0042","0.0018","16.4968","0.0018","77.517","0.003","73.321","0.003","75.069","0.003","1903.2","0.4","293","2","293","2","","","","","","","","6","P -1","-P 1","2","","","","- C42.5 H35 Cl Fe N6 O6 -","- C42.5 H35 Cl Fe N6 O6 -","- C85 H70 Cl2 Fe2 N12 O12 -","2","1","","Lee, Sze-Ling; Hu, Fei-long; Shang, Xiu-Juan; Shi, Yi-Xiang; Tan, Ai Ling; Mizera, Jens; Clegg, Jack Kay; Zhang, Wen-Hua; Young, David James; Lang, Jian-Ping","Efficient ring-opening polymerization (ROP) of ɛ-caprolactone catalysed by isomeric pyridyl β-diketonate iron(lll) complexes","New J. Chem.","2017","","","","","10.1039/C7NJ03571C","","","0.71073","MoKα","","0.0745","0.0543","","","0.1233","0.1329","","","","","","1.045","","","","has coordinates,has disorder","202295","2020-10-21","18:00:00",""
"7056709","13.7398","0.0016","13.7398","0.0016","33.05","0.007","90","","90","","120","","5403.3","1.4","293","2","293","2","","","","","","","","5","R -3 :H","-R 3","148","","","","- C39 H28 Fe N6 O6.5 -","- C39 H27 Fe N6 O6.5 -","- C234 H162 Fe6 N36 O39 -","6","0.333333","","Lee, Sze-Ling; Hu, Fei-long; Shang, Xiu-Juan; Shi, Yi-Xiang; Tan, Ai Ling; Mizera, Jens; Clegg, Jack Kay; Zhang, Wen-Hua; Young, David James; Lang, Jian-Ping","Efficient ring-opening polymerization (ROP) of ɛ-caprolactone catalysed by isomeric pyridyl β-diketonate iron(lll) complexes","New J. Chem.","2017","","","","","10.1039/C7NJ03571C","","","0.71073","MoKα","","0.0836","0.0721","","","0.1807","0.19","","","","","","1.22","","","","has coordinates,has disorder","202295","2020-10-21","18:00:00",""
"7056710","10.6","0.003","12.147","0.004","16.59","0.005","77.32","0.009","73.287","0.009","74.385","0.009","1946.8","1","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C42 H34 Fe N6 O6 -","- C42 H34 Fe N6 O6 -","- C84 H68 Fe2 N12 O12 -","2","1","","Lee, Sze-Ling; Hu, Fei-long; Shang, Xiu-Juan; Shi, Yi-Xiang; Tan, Ai Ling; Mizera, Jens; Clegg, Jack Kay; Zhang, Wen-Hua; Young, David James; Lang, Jian-Ping","Efficient ring-opening polymerization (ROP) of ɛ-caprolactone catalysed by isomeric pyridyl β-diketonate iron(lll) complexes","New J. Chem.","2017","","","","","10.1039/C7NJ03571C","","","0.71073","MoKα","","0.0928","0.0744","","","0.1914","0.2016","","","","","","1.058","","","","has coordinates,has disorder","202295","2020-10-21","18:00:00",""
"7056711","16.0478","0.0007","16.0478","0.0007","8.2848","0.0009","90","","90","","120","","1847.8","0.2","150","2","150","2","","","","","","","","5","P -3","-P 3","147","","","","- C39 H35 Fe N6 O10 -","- C39 H27 Fe N6 O10 -","- C78 H54 Fe2 N12 O20 -","2","0.333333","","Lee, Sze-Ling; Hu, Fei-long; Shang, Xiu-Juan; Shi, Yi-Xiang; Tan, Ai Ling; Mizera, Jens; Clegg, Jack Kay; Zhang, Wen-Hua; Young, David James; Lang, Jian-Ping","Efficient ring-opening polymerization (ROP) of ɛ-caprolactone catalysed by isomeric pyridyl β-diketonate iron(lll) complexes","New J. Chem.","2017","","","","","10.1039/C7NJ03571C","","","0.71073","MoKα","","0.0813","0.0512","","","0.1327","0.1506","","","","","","1.037","","","","has coordinates","202295","2020-10-21","18:00:00",""
"7056712","9.0163","0.0006","22.1308","0.0013","17.6843","0.0011","90","","91.643","0.006","90","","3527.2","0.4","293","2","293","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C39 H27 Fe N6 O6 -","- C39 H27 Fe N6 O6 -","- C156 H108 Fe4 N24 O24 -","4","0.5","","Lee, Sze-Ling; Hu, Fei-long; Shang, Xiu-Juan; Shi, Yi-Xiang; Tan, Ai Ling; Mizera, Jens; Clegg, Jack Kay; Zhang, Wen-Hua; Young, David James; Lang, Jian-Ping","Efficient ring-opening polymerization (ROP) of ɛ-caprolactone catalysed by isomeric pyridyl β-diketonate iron(lll) complexes","New J. Chem.","2017","","","","","10.1039/C7NJ03571C","","","0.71073","MoKα","","0.0913","0.0604","","","0.1408","0.161","","","","","","1.046","","","","has coordinates,has disorder","202295","2020-10-21","18:00:00",""
"7056713","9.751","0.0003","16.2442","0.0005","17.3619","0.0005","90","","100.538","0.002","90","","2703.69","0.14","100","2","100","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C29 H31 Cl2 O3 P Ru -","- C29 H31 Cl2 O3 P Ru -","- C116 H124 Cl8 O12 P4 Ru4 -","4","1","","Marchetti, Fabio; Biancalana, Lorenzo; Pratesi, Alessandro; Chiellini, Federica; Zacchini, Stefano; Funaioli, Tiziana; Gabbiani, Chiara","Ruthenium Arene Complexes with Triphenylphosphane Ligands: Cytotoxic Activity Towards Pancreatic Cancer Cells, Interaction with Model Proteins, and Critical Effect of Ethacrynic Acid Substitution","New J. Chem.","2017","","","","","10.1039/C7NJ02300F","","","0.71073","MoKα","","0.0448","0.033","","","0.0785","0.0875","","","","","","1.074","","","","has coordinates","202296","2020-10-21","18:00:00",""
"7056714","15.373","0.002","13.9","0.002","23.827","0.004","90","","94.239","0.004","90","","5077.5","1.3","100","2","100","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C29 H28 Cl O2 P Ru -","- C29 H28 Cl O2 P Ru -","- C232 H224 Cl8 O16 P8 Ru8 -","8","2","","Marchetti, Fabio; Biancalana, Lorenzo; Pratesi, Alessandro; Chiellini, Federica; Zacchini, Stefano; Funaioli, Tiziana; Gabbiani, Chiara","Ruthenium Arene Complexes with Triphenylphosphane Ligands: Cytotoxic Activity Towards Pancreatic Cancer Cells, Interaction with Model Proteins, and Critical Effect of Ethacrynic Acid Substitution","New J. Chem.","2017","","","","","10.1039/C7NJ02300F","","","0.71073","MoKα","","0.1022","0.0728","","","0.1397","0.1496","","","","","","1.132","","","","has coordinates","202296","2020-10-21","18:00:00",""
"7056715","9.3256","0.0014","16.641","0.003","31.414","0.005","90","","93.589","0.003","90","","4865.5","1.4","100","2","100.15","","","","","","","","","3","P 1 21/n 1","-P 2yn","14","Bis(phenylanthryl)phenanthrene","3,6-bis(10-phenylanthracen-9-yl)phenanthrene","","- C57 H37 Cl9 -","- C57 H37 Cl9 -","- C228 H148 Cl36 -","4","1","","Jhulki, Samik; Mishra, Abhaya Kumar; Chow, Tahsin J.; Moorthy, J. Narasimha","Carbo[5]helicene versus planar phenanthrene as a scaffold for organic materials in OLEDs: electroluminescence of anthracene-functionalized emissive materials","New J. Chem.","2017","","","","","10.1039/C7NJ02233F","","","0.71073","MoKα","","0.1961","0.0884","","","0.186","0.2471","","","","","","1.032","","","","has coordinates","202372","2020-10-21","18:00:00",""
"7056716","7.6164","0.0008","19.798","0.002","7.849","0.001","90","","114.01","0.01","90","","1081.1","0.2","297","2","297","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","2-trifluoromethylchromone-3-cyanide-methyl","","- C12 H6 F3 N O2 -","- C12 H6 F3 N O2 -","- C48 H24 F12 N4 O8 -","4","1","","Alcivar León, Christian David; Echeverría, Gustavo A.; Piro, Oscar E.; Ulic, Sonia E.; Jios, Jorge Luis; Pereanez, Jaime A.; Henao Castañeda, Isabel Cristina; Pérez, Hiram","The role of non-covalent interactions in some 2-trifluoromethylchromones in the solid state.","New J. Chem.","2017","","","","","10.1039/C7NJ00481H","","","1.5418","CuKα","","0.0629","0.0456","","","0.1256","0.1447","","","","","","1.04","","","","has coordinates","202373","2020-10-21","18:00:00",""
"7056717","4.7865","0.0002","15.3885","0.0006","13.7073","0.0005","90","","93.722","0.003","90","","1007.51","0.07","297","2","297","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","2-trifluoromethylchromone-3-oxydryl-methyl","","- C11 H7 F3 O3 -","- C11 H7 F3 O3 -","- C44 H28 F12 O12 -","4","1","","Alcivar León, Christian David; Echeverría, Gustavo A.; Piro, Oscar E.; Ulic, Sonia E.; Jios, Jorge Luis; Pereanez, Jaime A.; Henao Castañeda, Isabel Cristina; Pérez, Hiram","The role of non-covalent interactions in some 2-trifluoromethylchromones in the solid state.","New J. Chem.","2017","","","","","10.1039/C7NJ00481H","","x-ray","1.54184","CuKα","","0.0677","0.0609","","","0.167","0.1759","","","","","","1.067","","","","has coordinates,has disorder","202373","2020-10-21","18:00:00",""
"7056718","7.5438","0.0005","20.2116","0.0011","7.7385","0.0006","90","","110.717","0.009","90","","1103.61","0.14","297","2","297","2","","","","","","","","5","P 1 21/a 1","-P 2yab","14","","2-trifluoromethylchromone-3-nitro-methyl","","- C11 H6 F3 N O4 -","- C11 H6 F3 N O4 -","- C44 H24 F12 N4 O16 -","4","1","","Alcivar León, Christian David; Echeverría, Gustavo A.; Piro, Oscar E.; Ulic, Sonia E.; Jios, Jorge Luis; Pereanez, Jaime A.; Henao Castañeda, Isabel Cristina; Pérez, Hiram","The role of non-covalent interactions in some 2-trifluoromethylchromones in the solid state.","New J. Chem.","2017","","","","","10.1039/C7NJ00481H","","","1.5418","CuKα","","0.1144","0.0757","","","0.2382","0.333","","","","","","1.133","","","","has coordinates","202373","2020-10-21","18:00:00",""
"7056719","30.875","0.006","16.909","0.003","14.799","0.003","90","","116.37","0.03","90","","6922","3","298","","298","","","","","","","","","7","C 1 2/c 1","-C 2yc","15","","","","- C29 H27 Co F12 N4 O4 P2 -","- C29 H27 Co F12 N4 O4 P2 -","- C232 H216 Co8 F96 N32 O32 P16 -","8","1","","Lanznaster, Mauricio; da Silva, Aline Farias Moreira; Vital, Renata de Uzeda; Martins, Daniela de Luna; Rocha, David Rodrigues; Ferreira, Glaucio Braga; Camargos-Resende, Jackson A. L.","Investigation of cobalt(III)-tpa complexes as potential bioreductively activated carriers for naphthoquinone-based drugs","New J. Chem.","2017","","","","","10.1039/C7NJ03072J","","","0.71073","MoKα","","0.0966","0.0622","","","0.1632","0.1969","","","","","","1.035","","","","has coordinates","202468","2020-10-21","18:00:00",""
"7056720","10.3773","0.0003","8.6965","0.0003","33.1936","0.0011","90","","93.449","0.003","90","","2990.17","0.17","150","0.1","150.15","","","","","","","","","8","P 1 21/n 1","-P 2yn","14","","","","- C29 H27 B Cl Co F4 N4 O5 -","- C29 H27.004 B Cl Co F4 N4 O5.002 -","- C116 H108.016 B4 Cl4 Co4 F16 N16 O20.008 -","4","1","","Lanznaster, Mauricio; da Silva, Aline Farias Moreira; Vital, Renata de Uzeda; Martins, Daniela de Luna; Rocha, David Rodrigues; Ferreira, Glaucio Braga; Camargos-Resende, Jackson A. L.","Investigation of cobalt(III)-tpa complexes as potential bioreductively activated carriers for naphthoquinone-based drugs","New J. Chem.","2017","","","","","10.1039/C7NJ03072J","","","0.71073","MoKα","","0.0761","0.0595","","","0.1579","0.1789","","","","","","1.123","","","","has coordinates,has disorder","202468","2020-10-21","18:00:00",""
"7056721","10.23899","0.00016","8.76417","0.00012","33.1396","0.0004","90","","93.9895","0.0013","90","","2966.62","0.07","149.8","0.2","150.15","","","","","","","","","8","P 1 21/n 1","-P 2yn","14","","","","- C29 H27 B Br Co F4 N4 O5 -","- C29 H27.002 B Br Co F4 N4 O5.001 -","- C116 H108.008 B4 Br4 Co4 F16 N16 O20.004 -","4","1","","Lanznaster, Mauricio; da Silva, Aline Farias Moreira; Vital, Renata de Uzeda; Martins, Daniela de Luna; Rocha, David Rodrigues; Ferreira, Glaucio Braga; Camargos-Resende, Jackson A. L.","Investigation of cobalt(III)-tpa complexes as potential bioreductively activated carriers for naphthoquinone-based drugs","New J. Chem.","2017","","","","","10.1039/C7NJ03072J","","","0.71073","MoKα","","0.0486","0.0427","","","0.1032","0.1058","","","","","","1.147","","","","has coordinates,has disorder","202468","2020-10-21","18:00:00",""
"7056722","10.7","0.002","14.421","0.003","14.701","0.003","90","","101.754","0.003","90","","2220.9","0.8","296","2","296","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","PM3FBP-PTSC","1-phenyl-3-methyl-4-(3-fluorobenzal)-5-hydroxypyrazole 4-phenylthiosemicarbazone","","- C24 H20 F N5 O S -","- C24 H20 F N5 O S -","- C96 H80 F4 N20 O4 S4 -","4","1","","Che, Yuanyuan; Liu, Lang; Tang, Yakun; Qiao, Yuqian; Zhao, Xianmei; Gao, Shasha; Ding, Sheng; Jia, Dianzeng","Solid-state photochromic behavior of pyrazolone 4-phenylthiosemicarbazone","New Journal of Chemistry","2017","","","","","10.1039/C7NJ03406G","","","0.71073","MoKα","","0.117","0.0677","","","0.175","0.2045","","","","","","1.084","","","","has coordinates","206489","2020-10-21","18:00:00",""
"7056723","10.0427","0.0003","11.1946","0.0003","21.0233","0.0004","96.2914","0.0018","92.4769","0.0018","109.769","0.002","2202.67","0.1","120","","120","","","","101","","","","","3","P -1","-P 1","2","","","","- C53 H56 O6.45 -","- C53 H56 O6.451 -","- C106 H112 O12.902 -","2","1","","Slavik, Petr; Dvorakova, Hana; Eigner, Vaclav; Lhotak, Pavel","meta-Bridged Calix[4]arenes Prepared by Friedel‒Crafts Alkylation","New Journal of Chemistry","2017","","","","","10.1039/C7NJ03394J","","","1.54184","CuKα","","0.0611","0.0563","","0.1678","0.1589","0.1678","","","","","","0.9371","","","","has coordinates,has disorder","202539","2020-10-21","18:00:00",""
"7056724","12.6881","0.0002","19.1234","0.0003","14.91023","0.00019","90","","93.081","0.0013","90","","3612.58","0.09","95","","95","","","","101","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C43 H52 O4 -","- C43 H52 O4 -","- C172 H208 O16 -","4","1","","Slavik, Petr; Dvorakova, Hana; Eigner, Vaclav; Lhotak, Pavel","meta-Bridged Calix[4]arenes Prepared by Friedel‒Crafts Alkylation","New Journal of Chemistry","2017","","","","","10.1039/C7NJ03394J","","","1.54184","CuKα","","0.0514","0.0428","","0.0825","0.0764","0.0825","","","","","","0.9937","","","","has coordinates","202539","2020-10-21","18:00:00",""
"7056725","11.4179","0.0005","11.8579","0.0005","23.594","0.001","77.2299","0.0019","79.1729","0.0018","72.4389","0.0018","2944.9","0.2","180","","180","","","","101","","","","","3","P -1","-P 1","2","","","","- C67 H70 O6 -","- C67 H70 O6 -","- C134 H140 O12 -","2","1","","Slavik, Petr; Dvorakova, Hana; Eigner, Vaclav; Lhotak, Pavel","meta-Bridged Calix[4]arenes Prepared by Friedel‒Crafts Alkylation","New Journal of Chemistry","2017","","","","","10.1039/C7NJ03394J","","","1.54178","CuKα","","0.0867","0.0785","","0.213","0.2057","0.2127","","","","","","1.0105","","","","has coordinates,has disorder","202539","2020-10-21","18:00:00",""
"7056726","10.0361","0.0016","10.3968","0.0017","11.9591","0.0019","81.792","0.003","67.635","0.003","77.335","0.003","1123.5","0.3","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C22 H18.5 Co N5.5 O6 -","- C21 H13 Co N5 O4 -","- C42 H26 Co2 N10 O8 -","2","1","","Xu, Zhouqing; Li, Huijun; Li, Qingqing; He, Yaling; Tang, Qingjie","Two novel porous MOFs with square-shaped cavities for removing toxic dyes: adsorption or degradation?","New Journal of Chemistry","2017","","","","","10.1039/C7NJ02904G","","","0.71073","MoKα","","0.0631","0.0418","","","0.0756","0.0814","","","","","","1.048","","","","has coordinates","202540","2020-10-21","18:00:00",""
"7056727","10.108","0.003","36.981","0.01","15.237","0.004","90","","100.592","0.005","90","","5599","3","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C52 H60 Mn2 N12 O16 -","- C42 H28 Mn2 N10 O9 -","- C168 H112 Mn8 N40 O36 -","4","1","","Xu, Zhouqing; Li, Huijun; Li, Qingqing; He, Yaling; Tang, Qingjie","Two novel porous MOFs with square-shaped cavities for removing toxic dyes: adsorption or degradation?","New Journal of Chemistry","2017","","","","","10.1039/C7NJ02904G","","","0.71073","MoKα","","0.0661","0.0405","","","0.0912","0.0988","","","","","","1.021","","","","has coordinates","202540","2020-10-21","18:00:00",""
"7056728","27.649","0.003","7.2495","0.0009","21.908","0.002","90","","90","","90","","4391.3","0.8","170","2","170","2","","","","","","","","5","P n a 21","P 2c -2n","33","","","","- C26 H28 N2 O3 Si -","- C26 H27.5 N2 O3 Si -","- C208 H220 N16 O24 Si8 -","8","2","","Singh, Gurjaspreet; Singh, Akshpreet; Singh, Jasbhinder; Aulakh, Darpandeep; Wriedt, Mario; Ruiz , Cristóbal Espinosa; Esteban, Maria A.; Sehgal, Rakesh; Goyal, Kapil; Sinha, Shweta","First synthesis of pyrene functionalized silatranes for mechanistic insight into their potential anti-parasitic and anti-oxidation activities","New Journal of Chemistry","2017","","","","","10.1039/C7NJ03338A","","","0.71073","MoKα","","0.2031","0.05","","","0.072","0.096","","","","","","0.748","","","","has coordinates","206489","2020-10-21","18:00:00",""
"7056729","32.089","0.005","10.5036","0.0015","13.786","0.002","90","","90","","90","","4646.6","1.2","100","2","100","2","","","101.3","","","","synthesis","6","P c a 21","P 2c -2ac","29","","","","- C52 H58 N6 O2 Pt S2 -","- C52 H58 N6 O2 Pt S2 -","- C208 H232 N24 O8 Pt4 S8 -","4","1","","Koch, Klaus R.; Kotze, Izak; smith, vincent; Kangara, Edmore F.","Rare, Hypodentate L-κS Coordination Mode of N,N-dialkyl-N’-aroylthioureas leads to Unprecedented Mixed-ligand [Pt(phen)(L-κS)2] Complexes..","New Journal of Chemistry","2017","","","","","10.1039/C7NJ03178E","","x-ray","0.71073","MoKα","","0.0267","0.0222","","","0.0439","0.0455","","","","","","0.845","","","","has coordinates","202592","2020-10-21","18:00:00",""
"7056730","13.203","0.006","14.849","0.007","19.502","0.009","102.474","0.005","108.801","0.005","94.644","0.005","3487","3","100","2","100","2","","","101.3","","","","synthesis","6","P -1","-P 1","2","","","","- C72 H78 N12 O6 Pt2 S4 -","- C72 H78 N12 O6 Pt2 S4 -","- C144 H156 N24 O12 Pt4 S8 -","2","1","","Koch, Klaus R.; Kotze, Izak; smith, vincent; Kangara, Edmore F.","Rare, Hypodentate L-κS Coordination Mode of N,N-dialkyl-N’-aroylthioureas leads to Unprecedented Mixed-ligand [Pt(phen)(L-κS)2] Complexes..","New Journal of Chemistry","2017","","","","","10.1039/C7NJ03178E","","x-ray","0.71073","MoKα","","0.0709","0.0431","","","0.0903","0.1012","","","","","","0.988","","","","has coordinates,has disorder","202592","2020-10-21","18:00:00",""
"7056731","32.476","0.008","11.761","0.002","16.74","0.003","90","","112.62","0.03","90","","5902","2","298","2","298","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C58 H58 Cd3 N8 O15 -","- C58 H58 Cd3 N8 O15 -","- C232 H232 Cd12 N32 O60 -","4","0.5","","Rouhani, Farzaneh; Morsali, Ali","Highly Effective Brønsted Base/Lewis Acid Cooperative Catalysis: A new Cd metal-organic framework for synthesis of Hantzsch 1, 4-DHPs at ambient temperature","New Journal of Chemistry","2017","","","","","10.1039/C7NJ01509G","","","0.71073","MoKα","","0.166","0.0796","","","0.1367","0.1591","","","","","","0.894","","","","has coordinates","202884","2020-10-21","18:00:00",""
"7056732","21.311","0.004","12.257","0.003","16.659","0.003","90","","128.4","0.03","90","","3410.2","1.9","298","2","298","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C20 H18 N2 Pt -","- C20 H18 N2 Pt -","- C160 H144 N16 Pt8 -","8","1","","Shahsavari, Hamid R.; Babadi Aghakhanpour, Reza; Hossein-Abadi, Mojdeh; Golbon Haghighi, Mohsen; Notash, Behrouz; fereidoonnezhad, Masood","A New Approach to the Effects of Isocyanide (CN-R) Ligands on the Luminescence Properties of Cycloplatinated(II) Complexes","New Journal of Chemistry","2017","","","","","10.1039/C7NJ03110F","","","0.71073","MoKα","","0.0736","0.0375","","","0.0616","0.0678","","","","","","0.878","","","","has coordinates","202885","2020-10-21","18:00:00",""
"7056733","9.3461","0.0019","10.106","0.002","17.704","0.004","90","","90","","90","","1672.2","0.6","298","2","298","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C17 H20 N2 Pt -","- C17 H20 N2 Pt -","- C68 H80 N8 Pt4 -","4","1","","Shahsavari, Hamid R.; Babadi Aghakhanpour, Reza; Hossein-Abadi, Mojdeh; Golbon Haghighi, Mohsen; Notash, Behrouz; fereidoonnezhad, Masood","A New Approach to the Effects of Isocyanide (CN-R) Ligands on the Luminescence Properties of Cycloplatinated(II) Complexes","New Journal of Chemistry","2017","","","","","10.1039/C7NJ03110F","","","0.71073","MoKα","","0.0633","0.0496","","","0.1102","0.1141","","","","","","0.949","","","","has coordinates","202885","2020-10-21","18:00:00",""
"7056734","10.399","0.002","10.919","0.002","11.408","0.002","80.9","0.03","72.01","0.03","68.39","0.03","1144","0.5","293","2","293","2","","","","","","","","4","P -1","-P 1","2","","","","- C31 H19 N2 O2 -","- C31 H19 N2 O2 -","- C62 H38 N4 O4 -","2","1","","Zhao, Kun; Wang, Huimin; Sun, Hao; Tian, Wen; Yang, Shanguang; Liu, Jingjing; Peng, Jing; Wang, Mingliang","Studying the fluorescence conversion in organic charge transfer cocrystals of chalcone derivatives and TCNB","New Journal of Chemistry","2017","","","","","10.1039/C7NJ03127K","","","0.71073","MoKα","","0.1425","0.066","","","0.1528","0.1841","","","","","","0.998","","","","has coordinates","202945","2020-10-21","18:00:00",""
"7056735","11.815","0.002","10.38","0.002","17.887","0.004","90","","99.44","0.03","90","","2163.9","0.8","293","2","293","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C30 H17 N2 O -","- C30 H17 N2 O -","- C120 H68 N8 O4 -","4","1","","Zhao, Kun; Wang, Huimin; Sun, Hao; Tian, Wen; Yang, Shanguang; Liu, Jingjing; Peng, Jing; Wang, Mingliang","Studying the fluorescence conversion in organic charge transfer cocrystals of chalcone derivatives and TCNB","New Journal of Chemistry","2017","","","","","10.1039/C7NJ03127K","","","0.71073","MoKα","","0.2","0.0819","","","0.1596","0.2059","","","","","","1.006","","","","has coordinates","202945","2020-10-21","18:00:00",""
"7056736","9.945","0.002","10.712","0.002","13.518","0.003","68.19","0.03","81.65","0.03","75.2","0.03","1290.6","0.6","293","2","293","2","","","","","","","","4","P -1","-P 1","2","","","","- C35 H18 N4 O -","- C35 H18 N4 O -","- C70 H36 N8 O2 -","2","1","","Zhao, Kun; Wang, Huimin; Sun, Hao; Tian, Wen; Yang, Shanguang; Liu, Jingjing; Peng, Jing; Wang, Mingliang","Studying the fluorescence conversion in organic charge transfer cocrystals of chalcone derivatives and TCNB","New Journal of Chemistry","2017","","","","","10.1039/C7NJ03127K","","","0.71073","MoKα","","0.1769","0.0737","","","0.1084","0.1326","","","","","","0.994","","","","has coordinates","202945","2020-10-21","18:00:00",""
"7056740","6.6946","0.0003","10.7516","0.0005","11.4183","0.0005","90","","95.446","0.004","90","","818.15","0.06","120","0.1","120","0.1","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C10 H28 Ga2 N2 O2 -","- C10 H28 Ga2 N2 O2 -","- C20 H56 Ga4 N4 O4 -","2","0.5","","Cybularczyk, Martyna; Zaremba, Rafał; Hurko, Aleksander; Plichta, Andrzej Tadeusz; Dranka, Maciej; Horeglad, Paweł","Dialkylgallium alkoxides ‒ a tool for facile and stereoselective synthesis of PLA-drug conjugates","New Journal of Chemistry","2017","","","","","10.1039/C7NJ03089D","","x-ray","0.71073","MoKα","","0.0419","0.0356","","","0.0912","0.0984","","","","","","1.147","","","","has coordinates,has disorder","203031","2020-10-21","18:00:00",""
"7056741","21.4049","0.0007","8.2553","0.0003","18.0932","0.0005","90","","100.559","0.003","90","","3143","0.18","293","1","293","1","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C28 H48 Ga2 N2 O4 -","- C28 H48 Ga2 N2 O4 -","- C112 H192 Ga8 N8 O16 -","4","0.5","","Cybularczyk, Martyna; Zaremba, Rafał; Hurko, Aleksander; Plichta, Andrzej Tadeusz; Dranka, Maciej; Horeglad, Paweł","Dialkylgallium alkoxides ‒ a tool for facile and stereoselective synthesis of PLA-drug conjugates","New Journal of Chemistry","2017","","","","","10.1039/C7NJ03089D","","x-ray","0.71073","MoKα","","0.0269","0.0221","","","0.0584","0.062","","","","","","1.063","","","","has coordinates","203031","2020-10-21","18:00:00",""
"7056742","6.4969","0.0002","13.5023","0.0004","11.1683","0.0004","90","","95.288","0.003","90","","975.55","0.05","120","0.1","120","0.1","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C14 H36 Ga2 N2 O2 -","- C14 H36 Ga2 N2 O2 -","- C28 H72 Ga4 N4 O4 -","2","0.5","","Cybularczyk, Martyna; Zaremba, Rafał; Hurko, Aleksander; Plichta, Andrzej Tadeusz; Dranka, Maciej; Horeglad, Paweł","Dialkylgallium alkoxides ‒ a tool for facile and stereoselective synthesis of PLA-drug conjugates","New Journal of Chemistry","2017","","","","","10.1039/C7NJ03089D","","x-ray","0.71073","MoKα","","0.0244","0.0206","","","0.0508","0.0526","","","","","","1.071","","","","has coordinates","203031","2020-10-21","18:00:00",""
"7056743","8.109","0.004","14.882","0.006","7.304","0.004","90","","90","","90","","881.4","0.7","296","2","296","2","","","","","","","","5","P b c n","-P 2n 2ab","60","","","","- C4 H6 N6 Ni S2 -","- C4 H6 N6 Ni S2 -","- C16 H24 N24 Ni4 S8 -","4","0.5","","Bharty, M. K.; Paswan, Santosh; Bharati, P.; Sonkar, Piyush Kumar; Ganesan, Vellaichamy; Butcher, Raymond J.","Square planar Ni(II) complexes of acetone N4-phenyl-thiosemicarbazone and in situ generated benzoyl thiosemicarbazide ligand: Synthesis, spectral and structural characterizations, thermal behaviour and electrochemical studies","New Journal of Chemistry","2017","","","","","10.1039/C7NJ01030C","","","0.71073","MoKα","","0.0802","0.0435","","","0.0753","0.0864","","","","","","1.117","","","","has coordinates","203106","2020-10-21","18:00:00",""
"7056744","23.403","0.002","7.6265","0.0005","12.2279","0.0009","90","","96.569","0.007","90","","2168.1","0.3","173","2","173","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C20 H24 N6 Ni S2 -","- C20 H24 N6 Ni S2 -","- C80 H96 N24 Ni4 S8 -","4","0.5","","Bharty, M. K.; Paswan, Santosh; Bharati, P.; Sonkar, Piyush Kumar; Ganesan, Vellaichamy; Butcher, Raymond J.","Square planar Ni(II) complexes of acetone N4-phenyl-thiosemicarbazone and in situ generated benzoyl thiosemicarbazide ligand: Synthesis, spectral and structural characterizations, thermal behaviour and electrochemical studies","New Journal of Chemistry","2017","","","","","10.1039/C7NJ01030C","","","0.71073","MoKα","","0.0953","0.0633","","","0.1522","0.1837","","","","","","1.083","","","","has coordinates","203106","2020-10-21","18:00:00",""
"7056745","9.2167","0.0007","14.4067","0.001","13.1603","0.0009","90","","90.874","0.002","90","","1747.3","0.2","296","2","296","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C14 H15 Cl4 N O3 -","- C14 H15 Cl4 N O3 -","- C56 H60 Cl16 N4 O12 -","4","1","","Bakewell, Nicholas Owen; Thavarajah, Rumintha; Motevalli, Majid; Sheriff, Tippu S.","Nucleophile and Base Differentiation of Pyridine in Reaction with Tetrahalocatechols and the Formation of Manganese(III)-Catecholate and Pyridinium-Catecholate Complexes for the in situ Generation of Hydrogen Peroxide from Dioxygen","New Journal of Chemistry","2017","","","","","10.1039/C7NJ02725G","","","0.71073","MoKα","","0.0784","0.0417","","","0.0971","0.112","","","","","","1.028","","","","has coordinates","203142","2020-10-21","18:00:00",""
"7056746","17.155","0.018","8.049","0.005","18.643","0.011","90","","92.815","0.009","90","","2571","3","100","2","100","2","","","","","","","","5","I 1 2/a 1","-I 2ya","15","","","","- C11 H7 Cl4 N O2 -","- C11 H7 Cl4 N O2 -","- C88 H56 Cl32 N8 O16 -","8","1","","Bakewell, Nicholas Owen; Thavarajah, Rumintha; Motevalli, Majid; Sheriff, Tippu S.","Nucleophile and Base Differentiation of Pyridine in Reaction with Tetrahalocatechols and the Formation of Manganese(III)-Catecholate and Pyridinium-Catecholate Complexes for the in situ Generation of Hydrogen Peroxide from Dioxygen","New Journal of Chemistry","2017","","","","","10.1039/C7NJ02725G","","","0.71073","MoKα","","0.045","0.031","","","0.0777","0.0846","","","","","","1.028","","","","has coordinates","203142","2020-10-21","18:00:00",""
"7056747","8.353","0.005","14.954","0.008","13.404","0.007","90","","95.134","0.014","90","","1667.6","1.6","100","2","100","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C13 H13 Br4 N O3 -","- C13 H13 Br4 N O3 -","- C52 H52 Br16 N4 O12 -","4","1","","Bakewell, Nicholas Owen; Thavarajah, Rumintha; Motevalli, Majid; Sheriff, Tippu S.","Nucleophile and Base Differentiation of Pyridine in Reaction with Tetrahalocatechols and the Formation of Manganese(III)-Catecholate and Pyridinium-Catecholate Complexes for the in situ Generation of Hydrogen Peroxide from Dioxygen","New Journal of Chemistry","2017","","","","","10.1039/C7NJ02725G","","","0.71073","MoKα","","0.028","0.022","","","0.0486","0.0513","","","","","","0.922","","","","has coordinates,has disorder","203142","2020-10-21","18:00:00",""
"7056749","14.7935","0.0005","14.7935","0.0005","42.5752","0.0016","90","","90","","120","","8069.2","0.5","301","2","301","2","","","","","","","","5","R -3 :H","-R 3","148","","","","- C60 H58 F6 N7 P -","- C60 H58 F6.006 N7 P -","- C360 H348 F36.036 N42 P6 -","6","0.333333","","Jonah, Tosin M.; Mathivathanan, Logesh; Morozov, Alexander N.; Mebel, Alexander M.; Raptis, Raphael G.; Kavallieratos, Konstantinos","Remarkably selective NH4+ binding and fluorescence sensing by tripodal tris(pyrazolyl) receptors derived from 1,3,5-triethylbenzene: structural and theoretical insights on the role of ion pairing","New Journal of Chemistry","2017","","","","","10.1039/C7NJ03213G","","","0.71073","MoKα","","0.1473","0.082","","","0.1814","0.212","","","","","","1.027","","","","has coordinates,has disorder","203228","2020-10-21","18:00:00",""
"7056750","10.5434","0.0004","12.4141","0.0005","19.6118","0.0008","94.867","0.001","102.526","0.001","106.638","0.001","2371.1","0.16","297","2","297.01","","","","","","","","","3","P -1","-P 1","2","","","","- C60 H54 N6 -","- C60 H54 N6 -","- C120 H108 N12 -","2","1","","Jonah, Tosin M.; Mathivathanan, Logesh; Morozov, Alexander N.; Mebel, Alexander M.; Raptis, Raphael G.; Kavallieratos, Konstantinos","Remarkably selective NH4+ binding and fluorescence sensing by tripodal tris(pyrazolyl) receptors derived from 1,3,5-triethylbenzene: structural and theoretical insights on the role of ion pairing","New Journal of Chemistry","2017","","","","","10.1039/C7NJ03213G","","","0.71073","MoKα","","0.1758","0.0702","","","0.1483","0.1884","","","","","","1.007","","","","has coordinates,has disorder","203228","2020-10-21","18:00:00",""
"7056752","8.454","0.004","12.125","0.006","7.206","0.003","90","","91.66","0.02","90","","738.3","0.6","150","2","150","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","2-methoxythieno[2,3-d]pyrimidin-4(3H)-one","","- C7 H6 N2 O2 S -","- C7 H6 N2 O2 S -","- C28 H24 N8 O8 S4 -","4","1","","Soares, Maria I.L.; Manaia Nunes, Cláudio; Gomes, Clara S. B.; Pinho e Melo, Teresa M. V. D.; Fausto, Rui","Conformational Behaviour, Photochemistry and Flash Vacuum Pyrolysis of a 2-(1H-Tetrazol-1-yl)thiophene","New Journal of Chemistry","2017","","","","","10.1039/C7NJ02775C","","x-ray","0.71073","MoKα","","0.0885","0.053","","","0.1132","0.1253","","","","","","1.017","","","","has coordinates","203230","2020-10-21","18:00:00",""
"7056753","3.9245","0.0005","18.054","0.002","12.6455","0.0015","90","","98.936","0.008","90","","885.1","0.18","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","Methyl 2-(1H-tetrazol-1-yl)thiophene-3-carboxylate","","- C7 H6 N4 O2 S -","- C7 H6 N4 O2 S -","- C28 H24 N16 O8 S4 -","4","1","","Soares, Maria I.L.; Manaia Nunes, Cláudio; Gomes, Clara S. B.; Pinho e Melo, Teresa M. V. D.; Fausto, Rui","Conformational Behaviour, Photochemistry and Flash Vacuum Pyrolysis of a 2-(1H-Tetrazol-1-yl)thiophene","New Journal of Chemistry","2017","","","","","10.1039/C7NJ02775C","","x-ray","0.71073","MoKα","","0.0388","0.0347","","","0.0909","0.0937","","","","","","1.026","","","","has coordinates","203230","2020-10-21","18:00:00",""
"7056761","43.3833","0.001","9.7679","0.0002","38.6961","0.0007","90","","94.968","0.002","90","","16336.4","0.6","100","1","100","1","","","","","","","","7","I 2/c 1 1","-I 2ya","15","","","","- C42 H30 Br2 N4 O6 Pd2 S2 -","- C42 H30 Br2 N4 O6 Pd2 S2 -","- C672 H480 Br32 N64 O96 Pd32 S32 -","16","2","","Karami, Kazem; alinaghi, moloud; Amirghofran, Zahra; Lipkowski, Janusz; Momtazi-borojeni, amir abbas","A saccharinate-bridged palladacyclic dimer with Pd-Pd bond: experimental and molecular docking studies of the interaction with DNA and BSA and in vitro cytotoxicity activities against human cancer cell lines","New Journal of Chemistry","2017","","","","","10.1039/C7NJ03138F","","","1.54184","CuKα","","0.0638","0.0542","","","0.1481","0.1564","","","","","","0.966","","","","has coordinates","206489","2020-10-21","18:00:00",""
"7059091","7.5472","0.0014","7.8647","0.0015","11.259","0.002","77.095","0.003","84.024","0.003","79.049","0.003","638.2","0.2","296","2","296.15","","","","","","","","","4","P -1","-P 1","2","","2,6-dibromo-9-selenabicyclo[3.3.1]nonane dibromine","","- C8 H12 Br4 Se -","- C8 H12 Br4 Se -","- C16 H24 Br8 Se2 -","2","1","","Torubaev, Yury V.; Skabitskiy, Ivan V.; Pavlova, Alina V.; Pasynskii, Alexander A.","First structural evidence of a Se‒Br‒Br halogen-bonded molecular complex","New Journal of Chemistry","2017","41","9","3606","","10.1039/C6NJ04096A","","","0.71073","MoKα","","0.1059","0.0843","","","0.2644","0.2999","","","","","","1.2306","","","","has coordinates","234775","2020-10-21","18:00:00",""
"7059092","7.66","0.003","11.291","0.004","13.427","0.005","90","","91.695","0.007","90","","1160.8","0.8","150","","150","","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","(2,6-Dibromo-9-selenabicyclo[3.3.1]nonan-9-yl)-dibromo-selenium","","- C16 H24 Br6 Se3 -","- C16 H24 Br6 Se3 -","- C32 H48 Br12 Se6 -","2","0.5","","Torubaev, Yury V.; Skabitskiy, Ivan V.; Pavlova, Alina V.; Pasynskii, Alexander A.","First structural evidence of a Se‒Br‒Br halogen-bonded molecular complex","New Journal of Chemistry","2017","41","9","3606","","10.1039/C6NJ04096A","","","0.71073","MoKα","","0.105","0.054","","","0.0966","0.1115","","","","","","0.9052","","","","has coordinates","234775","2020-10-21","18:00:00",""
"7059093","13.3579","0.0007","10.2925","0.0005","7.8592","0.0004","90","","96.667","0.001","90","","1073.22","0.09","143","2","143.15","","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","2,6-diiodo-9-selenabicyclo[3.3.1]nonane","","- C8 H12 I2 Se -","- C8 H12 I2 Se -","- C32 H48 I8 Se4 -","4","0.5","","Torubaev, Yury V.; Skabitskiy, Ivan V.; Pavlova, Alina V.; Pasynskii, Alexander A.","First structural evidence of a Se‒Br‒Br halogen-bonded molecular complex","New Journal of Chemistry","2017","41","9","3606","","10.1039/C6NJ04096A","","","0.71073","MoKα","","0.0197","0.0186","","","0.0464","0.0469","","","","","","1.0418","","","","has coordinates","234775","2020-10-21","18:00:00",""
"7059094","7.503","0.003","10.107","0.004","18.967","0.007","90","","99.587","0.005","90","","1418.2","1","296","2","296.15","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","2,6-dibromo-9-selenabicyclo[3.3.1]nonane diiodine","","- C8 H12 Br2 I2 Se -","- C8 H12 Br2 I2 Se -","- C32 H48 Br8 I8 Se4 -","4","1","","Torubaev, Yury V.; Skabitskiy, Ivan V.; Pavlova, Alina V.; Pasynskii, Alexander A.","First structural evidence of a Se‒Br‒Br halogen-bonded molecular complex","New Journal of Chemistry","2017","41","9","3606","","10.1039/C6NJ04096A","","","0.71073","MoKα","","0.047","0.031","","","0.0675","0.0745","","","","","","1.01","","","","has coordinates","234775","2020-10-21","18:00:00",""
"7059095","16.44","0.002","14.832","0.002","13.006","0.0019","90","","92.048","0.002","90","","3169.3","0.7","296","2","296.15","","","","","","","","","4","C 1 2/m 1","-C 2y","12","","?2,6-dibromo-9-selenabicyclo[3.3.1]nonanebromide pentabromide","","- C8 H12 Br6.5 Se -","- C8 H12 Br6.5 Se -","- C64 H96 Br52 Se8 -","8","1","","Torubaev, Yury V.; Skabitskiy, Ivan V.; Pavlova, Alina V.; Pasynskii, Alexander A.","First structural evidence of a Se‒Br‒Br halogen-bonded molecular complex","New Journal of Chemistry","2017","41","9","3606","","10.1039/C6NJ04096A","","","0.71073","MoKα","","0.073","0.0374","","","0.0716","0.0825","","","","","","0.991","","","","has coordinates","234775","2020-10-21","18:00:00",""
"7059096","7.7674","0.0008","10.2154","0.001","18.8296","0.0019","90","","101.236","0.002","90","","1465.4","0.3","296","2","296.15","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","2,6-diiodo-9-selenabicyclo[3.3.1]nonane diiodine ?","","- C8 H12 I4 Se -","- C8 H12 I4 Se -","- C32 H48 I16 Se4 -","4","1","","Torubaev, Yury V.; Skabitskiy, Ivan V.; Pavlova, Alina V.; Pasynskii, Alexander A.","First structural evidence of a Se‒Br‒Br halogen-bonded molecular complex","New Journal of Chemistry","2017","41","9","3606","","10.1039/C6NJ04096A","","","0.71073","MoKα","","0.041","0.0271","","","0.0475","0.0512","","","","","","1.007","","","","has coordinates","234775","2020-10-21","18:00:00",""
"7059097","9.6743","0.0003","5.6824","0.0002","30.9646","0.0009","90","","91.293","0.002","90","","1701.79","0.09","294","","294","","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C40 H36 N2 Ni O7 -","- C40 H36 N2 Ni O7 -","- C80 H72 N4 Ni2 O14 -","2","1","","Totta, Xanthippi; Hatzidimitriou, Antonios G.; Papadopoulos, Athanasios N.; Psomas, George","Nickel(ii)‒naproxen mixed-ligand complexes: synthesis, structure, antioxidant activity and interaction with albumins and calf-thymus DNA","New Journal of Chemistry","2017","41","11","4478","","10.1039/C7NJ00257B","","x-ray","0.71073","MoKα","","0.0468","0.0349","","0.0787","0.0734","0.0734","","","","","","1.0736","","","","has coordinates","235697","2020-10-21","18:00:00",""
"7059098","9.226","0.0007","5.9603","0.0005","30.784","0.003","90","","91.522","0.005","90","","1692.2","0.3","295","","295","","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C39 H38 N2 Ni O7 -","- C39 H38 N2 Ni O7 -","- C78 H76 N4 Ni2 O14 -","2","1","","Totta, Xanthippi; Hatzidimitriou, Antonios G.; Papadopoulos, Athanasios N.; Psomas, George","Nickel(ii)‒naproxen mixed-ligand complexes: synthesis, structure, antioxidant activity and interaction with albumins and calf-thymus DNA","New Journal of Chemistry","2017","41","11","4478","","10.1039/C7NJ00257B","","x-ray","0.71073","MoKα","","0.1366","0.0588","","0.0866","0.0717","0.0717","","","","","","0.9916","","","","has coordinates","235697","2020-10-21","18:00:00",""
"7059099","11.885","0.003","11.937","0.003","12.243","0.003","113.592","0.003","107.578","0.003","91.012","0.003","1498.2","0.6","296","2","296","2","","","","","","","","5","P -1","-P 1","2","","","","- C52 H80 Cu4 N12 O14 -","- C52 H80 Cu4 N12 O14 -","- C52 H80 Cu4 N12 O14 -","1","0.5","","Mandal, Leena; Mandal, Shuvankar; Mohanta, Sasankasekhar","Syntheses, crystal structures, magnetochemistry and catechol oxidase activity of a tetracopper(ii) compound and a new type of dicopper(ii)-based 1D coordination polymer","New Journal of Chemistry","2017","41","11","4689","","10.1039/C7NJ00286F","","","0.71073","MoKα","","0.0859","0.0505","","","0.128","0.1492","","","","","","0.964","","","","has coordinates","235700","2020-10-21","18:00:00",""
"7059100","17.743","0.002","22.098","0.003","7.8443","0.001","90","","95.24","0.002","90","","3062.8","0.7","296","2","296","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C24 H37 Cu2 N13 O3 -","- C24 H37 Cu2 N13 O3 -","- C96 H148 Cu8 N52 O12 -","4","1","","Mandal, Leena; Mandal, Shuvankar; Mohanta, Sasankasekhar","Syntheses, crystal structures, magnetochemistry and catechol oxidase activity of a tetracopper(ii) compound and a new type of dicopper(ii)-based 1D coordination polymer","New Journal of Chemistry","2017","41","11","4689","","10.1039/C7NJ00286F","","","0.71073","MoKα","","0.0527","0.0362","","","0.1006","0.1102","","","","","","1.004","","","","has coordinates","235700","2020-10-21","18:00:00",""
"7059101","7.795","0.0007","8.6094","0.0009","9.4837","0.0009","99.166","0.008","91.628","0.008","114.355","0.009","569.27","0.11","100","2","100","2","","","","","","","","7","P -1","-P 1","2","","","","- C5 H14 Cl2 N2 O2 Pt S -","- C5 H14 Cl2 N2 O2 Pt S -","- C10 H28 Cl4 N4 O4 Pt2 S2 -","2","1","","Bolotin, Dmitrii S.; Demakova, Marina Ya.; Legin, Anton A.; Suslonov, Vitaliy V.; Nazarov, Alexey A.; Jakupec, Michael A.; Keppler, Bernhard K.; Kukushkin, Vadim Yu.","Amidoxime platinum(ii) complexes: pH-dependent highly selective generation and cytotoxic activity","New Journal of Chemistry","2017","41","14","6840","","10.1039/C7NJ00982H","","","0.71073","MoKα","","0.0342","0.0311","","","0.0657","0.0679","","","","","","1.038","","","","has coordinates,has disorder","235707","2020-10-21","18:00:00",""
"7059102","7.1487","0.0004","8.918","0.0005","13.5059","0.0009","82.385","0.005","87.679","0.005","66.909","0.006","785","0.09","100","2","100","2","","","","","","","","8","P -1","-P 1","2","","","","- C10 H13 Cl2 F3 N2 O2 Pt S -","- C10 H13 Cl2 F3 N2 O2 Pt S -","- C20 H26 Cl4 F6 N4 O4 Pt2 S2 -","2","1","","Bolotin, Dmitrii S.; Demakova, Marina Ya.; Legin, Anton A.; Suslonov, Vitaliy V.; Nazarov, Alexey A.; Jakupec, Michael A.; Keppler, Bernhard K.; Kukushkin, Vadim Yu.","Amidoxime platinum(ii) complexes: pH-dependent highly selective generation and cytotoxic activity","New Journal of Chemistry","2017","41","14","6840","","10.1039/C7NJ00982H","","","0.71073","MoKα","","0.027","0.0222","","","0.045","0.0461","","","","","","1.025","","","","has coordinates","235707","2020-10-21","18:00:00",""
"7059103","7.0238","0.0003","9.0811","0.0004","12.9083","0.0003","91.147","0.003","94.584","0.003","111.834","0.004","760.73","0.05","100","2","100","2","","","","","","","","7","P -1","-P 1","2","","","","- C9 H13 Cl2 N3 O4 Pt S -","- C9 H13 Cl2 N3 O4 Pt S -","- C18 H26 Cl4 N6 O8 Pt2 S2 -","2","1","","Bolotin, Dmitrii S.; Demakova, Marina Ya.; Legin, Anton A.; Suslonov, Vitaliy V.; Nazarov, Alexey A.; Jakupec, Michael A.; Keppler, Bernhard K.; Kukushkin, Vadim Yu.","Amidoxime platinum(ii) complexes: pH-dependent highly selective generation and cytotoxic activity","New Journal of Chemistry","2017","41","14","6840","","10.1039/C7NJ00982H","","","0.71073","MoKα","","0.0224","0.0209","","","0.0439","0.0445","","","","","","1.058","","","","has coordinates","235707","2020-10-21","18:00:00",""
"7059104","9.325","0.0008","18.8767","0.0015","17.497","0.002","90","","90","","90","","3079.9","0.5","100","2","100","2","","","","","","","","6","C m c e","-C 2ac 2","64","","","","- C9 H22 N2 O3 Pt S2 -","- C9 H22 N2 O3 Pt S2 -","- C72 H176 N16 O24 Pt8 S16 -","8","0.5","","Bolotin, Dmitrii S.; Demakova, Marina Ya.; Legin, Anton A.; Suslonov, Vitaliy V.; Nazarov, Alexey A.; Jakupec, Michael A.; Keppler, Bernhard K.; Kukushkin, Vadim Yu.","Amidoxime platinum(ii) complexes: pH-dependent highly selective generation and cytotoxic activity","New Journal of Chemistry","2017","41","14","6840","","10.1039/C7NJ00982H","","","0.71073","MoKα","","0.0282","0.0245","","","0.0598","0.0616","","","","","","1.124","","","","has coordinates","235707","2020-10-21","18:00:00",""
"7059105","8.0458","0.0006","11.8336","0.0007","12.242","0.0015","90","","112.759","0.008","90","","1074.82","0.18","100","2","100","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C4 H12 Cl2 N2 O2 Pt S -","- C4 H12 Cl2 N2 O2 Pt S -","- C16 H48 Cl8 N8 O8 Pt4 S4 -","4","1","","Bolotin, Dmitrii S.; Demakova, Marina Ya.; Legin, Anton A.; Suslonov, Vitaliy V.; Nazarov, Alexey A.; Jakupec, Michael A.; Keppler, Bernhard K.; Kukushkin, Vadim Yu.","Amidoxime platinum(ii) complexes: pH-dependent highly selective generation and cytotoxic activity","New Journal of Chemistry","2017","41","14","6840","","10.1039/C7NJ00982H","","","0.71073","MoKα","","0.0376","0.0273","","","0.0505","0.0546","","","","","","1.018","","","","has coordinates","235707","2020-10-21","18:00:00",""
"7059106","8.7261","0.0002","10.2167","0.0003","18.8842","0.0004","74.48","0.002","80.247","0.002","87.869","0.002","1598.67","0.07","100","2","100","2","","","","","","","","6","P -1","-P 1","2","","","","- C11 H17 N3 O5 Pt S2 -","- C11 H17 N3 O5 Pt S2 -","- C44 H68 N12 O20 Pt4 S8 -","4","2","","Bolotin, Dmitrii S.; Demakova, Marina Ya.; Legin, Anton A.; Suslonov, Vitaliy V.; Nazarov, Alexey A.; Jakupec, Michael A.; Keppler, Bernhard K.; Kukushkin, Vadim Yu.","Amidoxime platinum(ii) complexes: pH-dependent highly selective generation and cytotoxic activity","New Journal of Chemistry","2017","41","14","6840","","10.1039/C7NJ00982H","","x-ray","1.54184","CuKα","","0.0377","0.0313","","","0.076","0.0812","","","","","","1.084","","","","has coordinates","235707","2020-10-21","18:00:00",""
"7059107","7.7751","0.0002","15.9278","0.0005","13.8379","0.0004","90","","103.11","0.003","90","","1669.02","0.09","100","2","100","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C10 H18 Cl2 N2 O3 Pt S -","- C10 H18 Cl2 N2 O3 Pt S -","- C40 H72 Cl8 N8 O12 Pt4 S4 -","4","1","","Bolotin, Dmitrii S.; Demakova, Marina Ya.; Legin, Anton A.; Suslonov, Vitaliy V.; Nazarov, Alexey A.; Jakupec, Michael A.; Keppler, Bernhard K.; Kukushkin, Vadim Yu.","Amidoxime platinum(ii) complexes: pH-dependent highly selective generation and cytotoxic activity","New Journal of Chemistry","2017","41","14","6840","","10.1039/C7NJ00982H","","","0.71073","MoKα","","0.0313","0.0252","","","0.0477","0.05","","","","","","1.064","","","","has coordinates","235707","2020-10-21","18:00:00",""
"7059108","6.5859","0.0002","19.2634","0.0007","12.796","0.0005","90","","116.115","0.003","90","","1457.66","0.1","100","2","100","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C7 H19 Cl3 N2 O2 Pt S -","- C7 H19 Cl3 N2 O2 Pt S -","- C28 H76 Cl12 N8 O8 Pt4 S4 -","4","1","","Bolotin, Dmitrii S.; Demakova, Marina Ya.; Legin, Anton A.; Suslonov, Vitaliy V.; Nazarov, Alexey A.; Jakupec, Michael A.; Keppler, Bernhard K.; Kukushkin, Vadim Yu.","Amidoxime platinum(ii) complexes: pH-dependent highly selective generation and cytotoxic activity","New Journal of Chemistry","2017","41","14","6840","","10.1039/C7NJ00982H","","","0.71073","MoKα","","0.0292","0.0234","","","0.0444","0.0462","","","","","","1.05","","","","has coordinates","235707","2020-10-21","18:00:00",""
"7059109","22.391","0.005","34.918","0.008","16.505","0.004","90","","90","","90","","12904","5","298","2","298.03","","","","","","","","","4","F d d 2","F 2 -2d","43","","","","- C32 H40 Cu N10 -","- C32 H40 Cu N10 -","- C512 H640 Cu16 N160 -","16","1","","Jana, Oishi; Mani, Ganesan","New types of Cu and Ag clusters supported by the pyrrole-based NNN-pincer type ligand","New Journal of Chemistry","2017","41","17","9361","","10.1039/C7NJ01009E","","","0.71073","MoKα","","0.0373","0.0281","","","0.0667","0.0716","","","","","","1.047","","","","has coordinates,has disorder","235710","2020-10-21","18:00:00",""
"7059110","15.1031","0.0018","17.648","0.002","13.8061","0.0016","90","","90","","90","","3679.9","0.7","100","2","100","2","","","","","","","","5","A e a 2","A 2 -2ab","41","","","","- C32 H40 Cu4 I2 N10 -","- C32 H40 Cu4 I2 N10 -","- C128 H160 Cu16 I8 N40 -","4","0.5","","Jana, Oishi; Mani, Ganesan","New types of Cu and Ag clusters supported by the pyrrole-based NNN-pincer type ligand","New Journal of Chemistry","2017","41","17","9361","","10.1039/C7NJ01009E","","","0.71073","MoKα","","0.0172","0.017","","","0.0457","0.0458","","","","","","1.071","","","","has coordinates","235710","2020-10-21","18:00:00",""
"7059111","18.092","0.005","18.092","0.005","21.761","0.008","90","","90","","90","","7123","4","100","2","100.15","","","","","","","","","5","P 41 21 2","P 4abw 2nw","92","","","","- C32 H42 Cu2 I2 N10 -","- C32 H42 Cu2 I2 N10 -","- C256 H336 Cu16 I16 N80 -","8","1","","Jana, Oishi; Mani, Ganesan","New types of Cu and Ag clusters supported by the pyrrole-based NNN-pincer type ligand","New Journal of Chemistry","2017","41","17","9361","","10.1039/C7NJ01009E","","","0.71073","MoKα","","0.0747","0.0504","","","0.141","0.1629","","","","","","1.035","","","","has coordinates","235710","2020-10-21","18:00:00",""
"7059112","23.0203","0.0008","23.0203","0.0008","16.4877","0.0012","90","","90","","120","","7566.8","0.7","299","2","299","2","","","","","","","","4","R -3 :H","-R 3","148","","","","- C48 H60 Ag3 N15 -","- C48 H60 Ag3 N15 -","- C288 H360 Ag18 N90 -","6","0.333333","","Jana, Oishi; Mani, Ganesan","New types of Cu and Ag clusters supported by the pyrrole-based NNN-pincer type ligand","New Journal of Chemistry","2017","41","17","9361","","10.1039/C7NJ01009E","","","0.71073","MoKα","","0.0827","0.0385","","","0.0575","0.0664","","","","","","0.959","","","","has coordinates","235710","2020-10-21","18:00:00",""
"7059113","12.6363","0.0014","13.8451","0.0015","14.632","0.0017","90","","101.824","0.002","90","","2505.6","0.5","100","2","100","2","","","","","","","","8","P 1 21/c 1","-P 2ybc","14","","","","- C18 H23 Ag Cl2 F3 N5 O3 S -","- C18 H23 Ag Cl2 F3 N5 O3 S -","- C72 H92 Ag4 Cl8 F12 N20 O12 S4 -","4","1","","Jana, Oishi; Mani, Ganesan","New types of Cu and Ag clusters supported by the pyrrole-based NNN-pincer type ligand","New Journal of Chemistry","2017","41","17","9361","","10.1039/C7NJ01009E","","","0.71073","MoKα","","0.0569","0.0464","","","0.1419","0.1495","","","","","","1.074","","","","has coordinates","235710","2020-10-21","18:00:00",""
"7059114","19.356","0.008","10.206","0.004","17.726","0.008","90","","93.422","0.014","90","","3495","3","100","2","100.15","","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C32 H42 Br2 Cu2 N10 -","- C32 H42 Br2 Cu2 N10 -","- C128 H168 Br8 Cu8 N40 -","4","0.5","","Jana, Oishi; Mani, Ganesan","New types of Cu and Ag clusters supported by the pyrrole-based NNN-pincer type ligand","New Journal of Chemistry","2017","41","17","9361","","10.1039/C7NJ01009E","","","0.71073","MoKα","","0.0804","0.0448","","","0.114","0.1327","","","","","","1.032","","","","has coordinates,has disorder","235710","2020-10-21","18:00:00",""
"7059115","12.6849","0.0019","8.1184","0.0012","20.797","0.003","90","","105.296","0.003","90","","2065.8","0.5","293","2","293","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C3 H8 N8 O9 -","- C3 H8 N8 O9 -","- C24 H64 N64 O72 -","8","1","","Huang, Haifeng; Li, Ying; Yang, Jun; Pan, Renming; Lin, Xiangyang","Materials with good energetic properties resulting from the smart combination of nitramino and dinitromethyl group with furazan","New Journal of Chemistry","2017","41","15","7697","","10.1039/C7NJ01417A","","","0.71073","MoKα","","0.0378","0.0335","","","0.0905","0.0937","","","","","","1.011","","","","has coordinates","235714","2020-10-21","18:00:00",""
"7059116","7.588","0.002","7.666","0.002","10.104","0.003","105.941","0.006","91.695","0.006","114.65","0.005","506.6","0.2","293","2","293","2","","","","","","","","4","P -1","-P 1","2","","","","- C3 H8 N8 O7 -","- C3 H8 N8 O7 -","- C6 H16 N16 O14 -","2","1","","Huang, Haifeng; Li, Ying; Yang, Jun; Pan, Renming; Lin, Xiangyang","Materials with good energetic properties resulting from the smart combination of nitramino and dinitromethyl group with furazan","New Journal of Chemistry","2017","41","15","7697","","10.1039/C7NJ01417A","","","0.71073","MoKα","","0.0653","0.0493","","","0.1154","0.1246","","","","","","1.074","","","","has coordinates","235714","2020-10-21","18:00:00",""
"7059117","21.595","0.006","18.986","0.006","7.676","0.002","90","","90","","90","","3147.2","1.6","293","2","293","2","","","","","","","","4","A e a 2","A 2 -2ab","41","","","","- C5 H14 N14 O7 -","- C5 H14 N14 O7 -","- C40 H112 N112 O56 -","8","1","","Huang, Haifeng; Li, Ying; Yang, Jun; Pan, Renming; Lin, Xiangyang","Materials with good energetic properties resulting from the smart combination of nitramino and dinitromethyl group with furazan","New Journal of Chemistry","2017","41","15","7697","","10.1039/C7NJ01417A","","","0.71073","MoKα","","0.0753","0.0576","","","0.1338","0.144","","","","","","1.018","","","","has coordinates","235714","2020-10-21","18:00:00",""
"7059118","7.5563","0.0003","9.6115","0.0005","23.9913","0.0011","90","","90","","90","","1742.43","0.14","293","2","293","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C20 H22 Cl N O4 -","- C20 H22 Cl N O4 -","- C80 H88 Cl4 N4 O16 -","4","1","","Zhang, Yunan; Zhang, Dajun; Zhang, Yu; Liu, Lixin; Zhang, Xuesong; Zhang, Lei; Zhang, Yunjie; Chang, Liang; Fan, Qiushuang; Zhang, Yongbiao; Xi, Jiaming; Zhang, Qiang","Improving solubility and avoiding hygroscopicity of tetrahydroberberine by forming hydrochloride salts by introducing solvents: [HTHB]Cl, [HTHB]Cl·CH3OH and [HTHB]Cl·CH3COOH","New Journal of Chemistry","2017","41","22","13268","","10.1039/C7NJ02423A","","","0.71073","MoKα","","0.0496","0.0407","","","0.0884","0.0933","","","","","","1.036","","","","has coordinates","235716","2020-10-21","18:00:00",""
"7059119","35.9919","0.0019","7.463","0.0005","16.1702","0.0011","90","","90","","90","","4343.4","0.5","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C22 H26 Cl N O6 -","- C22 H26 Cl N O6 -","- C176 H208 Cl8 N8 O48 -","8","2","","Zhang, Yunan; Zhang, Dajun; Zhang, Yu; Liu, Lixin; Zhang, Xuesong; Zhang, Lei; Zhang, Yunjie; Chang, Liang; Fan, Qiushuang; Zhang, Yongbiao; Xi, Jiaming; Zhang, Qiang","Improving solubility and avoiding hygroscopicity of tetrahydroberberine by forming hydrochloride salts by introducing solvents: [HTHB]Cl, [HTHB]Cl·CH3OH and [HTHB]Cl·CH3COOH","New Journal of Chemistry","2017","41","22","13268","","10.1039/C7NJ02423A","","","0.71073","MoKα","","0.1472","0.1427","","","0.3547","0.3563","","","","","","1.063","","","","has coordinates","235716","2020-10-21","18:00:00",""
"7059120","7.261","0.0004","15.3853","0.0008","36.6862","0.0019","90","","90","","90","","4098.3","0.4","293","2","293","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C21 H26 Cl N O5 -","- C21 H26 Cl N O5 -","- C168 H208 Cl8 N8 O40 -","8","1","","Zhang, Yunan; Zhang, Dajun; Zhang, Yu; Liu, Lixin; Zhang, Xuesong; Zhang, Lei; Zhang, Yunjie; Chang, Liang; Fan, Qiushuang; Zhang, Yongbiao; Xi, Jiaming; Zhang, Qiang","Improving solubility and avoiding hygroscopicity of tetrahydroberberine by forming hydrochloride salts by introducing solvents: [HTHB]Cl, [HTHB]Cl·CH3OH and [HTHB]Cl·CH3COOH","New Journal of Chemistry","2017","41","22","13268","","10.1039/C7NJ02423A","","","0.71073","MoKα","","0.089","0.0627","","","0.181","0.2256","","","","","","1.093","","","","has coordinates","235716","2020-10-21","18:00:00",""
"7119187","8.9464","0.0009","12.8728","0.0011","9.7816","0.0007","90","","95.947","0.008","90","","1120.44","0.17","298","2","298","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C11 H10 N4 S -","- C11 H10 N4 S -","- C44 H40 N16 S4 -","4","1","","Todorović, Tamara R.; Vukašinović, Jelena; Portalone, Gustavo; Suleiman, Sherif; Gligorijević, Nevenka; Bjelogrlić, Snezana; Jovanović, Katarina; Radulović, Siniša; Anđelković, Katarina; Cassar, Analisse; Filipović, Nenad R.; Schembri-Wismayer, Pierre","(Chalcogen)semicarbazones and their cobalt complexes differentiate HL-60 myeloid leukaemia cells and are cytotoxic towards tumor cell lines","Med. Chem. Commun.","2017","8","1","103","","10.1039/C6MD00501B","","","0.710689","MoKα","","0.0492","0.0393","","","0.1026","0.11","","","","","","1.064","","","","has coordinates","191693","2020-10-21","18:00:00",""
"7119188","21.752","0.003","10.0815","0.0009","13.905","0.002","90","","124.39","0.02","90","","2516.3","0.8","298","2","298","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C22 H24 Cl2 Co N8 O4 -","- C22 H24 Cl2 Co N8 O4 -","- C88 H96 Cl8 Co4 N32 O16 -","4","0.5","","Todorović, Tamara R.; Vukašinović, Jelena; Portalone, Gustavo; Suleiman, Sherif; Gligorijević, Nevenka; Bjelogrlić, Snezana; Jovanović, Katarina; Radulović, Siniša; Anđelković, Katarina; Cassar, Analisse; Filipović, Nenad R.; Schembri-Wismayer, Pierre","(Chalcogen)semicarbazones and their cobalt complexes differentiate HL-60 myeloid leukaemia cells and are cytotoxic towards tumor cell lines","Med. Chem. Commun.","2017","8","1","103","","10.1039/C6MD00501B","","","0.710689","MoKα","","0.055","0.0415","","","0.0951","0.1034","","","","","","1.052","","","","has coordinates","191693","2020-10-21","18:00:00",""
"7119189","10.3016","0.0006","10.5421","0.0007","14.5516","0.001","80.662","0.006","89.829","0.005","65.733","0.006","1418.01","0.18","298","2","298","2","","","","","","","","7","P -1","-P 1","2","","","","- C24 H18 Cl Co N8 O5 S3 -","- C24 H18 Cl Co N8 O5 S3 -","- C48 H36 Cl2 Co2 N16 O10 S6 -","2","1","","Todorović, Tamara R.; Vukašinović, Jelena; Portalone, Gustavo; Suleiman, Sherif; Gligorijević, Nevenka; Bjelogrlić, Snezana; Jovanović, Katarina; Radulović, Siniša; Anđelković, Katarina; Cassar, Analisse; Filipović, Nenad R.; Schembri-Wismayer, Pierre","(Chalcogen)semicarbazones and their cobalt complexes differentiate HL-60 myeloid leukaemia cells and are cytotoxic towards tumor cell lines","Med. Chem. Commun.","2017","8","1","103","","10.1039/C6MD00501B","","","0.710689","MoKα","","0.0617","0.0459","","","0.1161","0.1263","","","","","","1.031","","","","has coordinates","191693","2020-10-21","18:00:00",""
"7119190","6.1848","0.0002","13.6417","0.0003","27.9922","0.0007","90","","90","","90","","2361.74","0.11","296","2","296","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C26 H25 F3 N4 O3 -","- C26 H25 F3 N4 O3 -","- C104 H100 F12 N16 O12 -","4","1","","Pettersson, Martin; Johnson, Douglas S.; Rankic, Danica A.; Kauffman, Gregory W.; am Ende, Christopher W.; Butler, Todd W.; Boscoe, Brian; Evrard, Edelweiss; Helal, Christopher J.; Humphrey, John M.; Stepan, Antonia F.; Stiff, Cory M.; Yang, Eddie; Xie, Longfei; Bales, Kelly R.; Hajos-Korcsok, Eva; Jenkinson, Stephen; Pettersen, Betty; Pustilnik, Leslie R.; Ramirez, David S.; Steyn, Stefanus J.; Wood, Kathleen M.; Verhoest, Patrick R.","Discovery of cyclopropyl chromane-derived pyridopyrazine-1,6-dione γ-secretase modulators with robust central efficacy","Med. Chem. Commun.","2017","8","4","730","","10.1039/C6MD00406G","","","1.54178","CuKα","","0.0476","0.0444","","","0.1073","0.1101","","","","","","1.068","","","","has coordinates,has disorder","196473","2020-10-21","18:00:00",""
"7119191","11.2699","0.0009","17.6804","0.0014","14.9326","0.0012","90","","109.088","0.003","90","","2811.8","0.4","100","2","100","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C26 H36 Ga I N4 O4 -","- C26 H36 Ga I N4 O4 -","- C104 H144 Ga4 I4 N16 O16 -","4","1","","Sivapackiam, Jothilingam; Harpstrite, Scott E.; Rath, Nigam P.; Sharma, Vijay","67Ga-metalloprobes: monitoring the impact of geometrical isomers on accumulation profiles in rat cardiomyoblasts and human breast carcinoma cells","Med. Chem. Commun.","2017","8","1","158","","10.1039/C6MD00474A","","","0.71073","MoKα","","0.0309","0.0228","","","0.0505","0.0534","","","","","","1.029","","","","has coordinates,has disorder","191692","2020-10-21","18:00:00",""
"7119192","22.9684","0.0011","6.4549","0.0003","12.7545","0.0006","90","","105.422","0.0012","90","","1822.88","0.15","173","","173","","","","","","","","","5","C 1 2 1","C 2y","5","","","","- C19 H17 Br N4 O2 -","- C19 H17 Br N4 O2 -","- C76 H68 Br4 N16 O8 -","4","1","","Nishimine, Takayuki; Taira, Hiromi; Mori, Satoru; Matsubara, Okiya; Tokunaga, Etsuko; Akiyama, Hidehiko; Soloshonok, Vadim A.; Shibata, Norio","Synthesis of chiral (tetrazolyl)methyl-containing acrylates via silicon-induced organocatalytic kinetic resolution of Morita-Baylis-Hillman fluorides.","Chemical communications (Cambridge, England)","2017","53","6","1128","1131","10.1039/c6cc08830a","","","0.71075","MoKα","","","0.0315","","","","0.0813","","","","","","1.09","","","","has coordinates","191469","2020-10-21","18:00:00",""
"7119206","12.474","0.006","11.835","0.005","26.509","0.012","90","","90","","90","","3914","3","100","","100","","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C20 H27 N3 O3 S -","- C20 H27 N3 O3 S -","- C160 H216 N24 O24 S8 -","8","1","","Tan, Davin; Friščić, Tomislav","Carbodiimide insertion into sulfonimides: one-step route to azepine derivatives via a two-atom saccharin ring expansion.","Chemical communications (Cambridge, England)","2017","53","5","901","904","10.1039/c6cc07331j","","","0.71073","MoKα","","0.095","0.0517","","","0.1146","0.1379","","","","","","1.018","","","","has coordinates","191481","2020-10-21","18:00:00",""
"7119207","11.1911","0.0009","11.3303","0.0009","25.143","0.002","90","","90","","90","","3188.1","0.4","298","","298","","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C14 H19 N3 O3 S -","- C14 H19 N3 O3 S -","- C112 H152 N24 O24 S8 -","8","1","","Tan, Davin; Friščić, Tomislav","Carbodiimide insertion into sulfonimides: one-step route to azepine derivatives via a two-atom saccharin ring expansion.","Chemical communications (Cambridge, England)","2017","53","5","901","904","10.1039/c6cc07331j","","","0.71073","MoKα","","0.0958","0.0439","","","0.1008","0.1226","","","","","","1.026","","","","has coordinates,has disorder","191481","2020-10-21","18:00:00",""
"7119208","11.537","0.007","14.933","0.009","9.438","0.006","90","","112.304","0.007","90","","1504.3","1.6","100","2","100","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C14 H19 N3 O3 S -","- C14 H19 N3 O3 S -","- C56 H76 N12 O12 S4 -","4","1","","Tan, Davin; Friščić, Tomislav","Carbodiimide insertion into sulfonimides: one-step route to azepine derivatives via a two-atom saccharin ring expansion.","Chemical communications (Cambridge, England)","2017","53","5","901","904","10.1039/c6cc07331j","","","0.71073","MoKα","","0.0841","0.055","","","0.1629","0.1832","","","","","","1.031","","","","has coordinates","191481","2020-10-21","18:00:00",""
"7119209","26.324","0.002","14.6841","0.0011","5.8835","0.0004","90","","90","","90","","2274.2","0.3","100","","100","","","","","","","","","5","P n a 21","P 2c -2n","33","","","","- C24 H25 N3 O4 S2 -","- C24 H25 N3 O4 S2 -","- C96 H100 N12 O16 S8 -","4","1","","Tan, Davin; Friščić, Tomislav","Carbodiimide insertion into sulfonimides: one-step route to azepine derivatives via a two-atom saccharin ring expansion.","Chemical communications (Cambridge, England)","2017","53","5","901","904","10.1039/c6cc07331j","","","0.71073","MoKα","","0.0568","0.0403","","","0.0788","0.0848","","","","","","1.053","","","","has coordinates","191481","2020-10-21","18:00:00",""
"7119210","10.0595","0.001","20.175","0.002","11.1108","0.0011","90","","107.837","0.004","90","","2146.6","0.4","100","","100","","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C22 H29 N3 O3 S -","- C22 H29 N3 O3 S -","- C88 H116 N12 O12 S4 -","4","1","","Tan, Davin; Friščić, Tomislav","Carbodiimide insertion into sulfonimides: one-step route to azepine derivatives via a two-atom saccharin ring expansion.","Chemical communications (Cambridge, England)","2017","53","5","901","904","10.1039/c6cc07331j","","","0.71073","MoKα","","0.0454","0.0373","","","0.0993","0.1087","","","","","","1.117","","","","has coordinates","191481","2020-10-21","18:00:00",""
"7119211","12.037","0.0003","35.2714","0.001","12.5698","0.0003","90","","96.978","0.001","90","","5297.1","0.2","100","","100","","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C28 H37 N3 O3 S -","- C28 H37 N3 O3 S -","- C224 H296 N24 O24 S8 -","8","4","","Tan, Davin; Friščić, Tomislav","Carbodiimide insertion into sulfonimides: one-step route to azepine derivatives via a two-atom saccharin ring expansion.","Chemical communications (Cambridge, England)","2017","53","5","901","904","10.1039/c6cc07331j","","","1.54178","CuKα","","0.1019","0.0637","","","0.1357","0.1531","","","","","","1.01","","","","has coordinates","191481","2020-10-21","18:00:00",""
"7119212","6.7492","0.0007","7.2139","0.0007","31.441","0.003","90","","90","","90","","1530.8","0.3","100","","100","","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C15 H20 N2 O5 S -","- C15 H20 N2 O5 S -","- C60 H80 N8 O20 S4 -","4","1","","Tan, Davin; Friščić, Tomislav","Carbodiimide insertion into sulfonimides: one-step route to azepine derivatives via a two-atom saccharin ring expansion.","Chemical communications (Cambridge, England)","2017","53","5","901","904","10.1039/c6cc07331j","","","0.71073","MoKα","","0.0529","0.0405","","","0.0981","0.103","","","","","","1.096","","","","has coordinates","191481","2020-10-21","18:00:00",""
"7119213","11.8316","0.0016","14.0713","0.0019","7.0351","0.001","90","","96.718","0.002","90","","1163.2","0.3","150","2","150","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C10 H9 Cl N2 O4 S -","- C10 H9 Cl N2 O4 S -","- C40 H36 Cl4 N8 O16 S4 -","4","1","","Tan, Davin; Friščić, Tomislav","Carbodiimide insertion into sulfonimides: one-step route to azepine derivatives via a two-atom saccharin ring expansion.","Chemical communications (Cambridge, England)","2017","53","5","901","904","10.1039/c6cc07331j","","","0.71073","MoKα","","0.0425","0.0341","","","0.0838","0.0893","","","","","","1.065","","","","has coordinates","191481","2020-10-21","18:00:00",""
"7119214","6.4988","0.0006","15.6631","0.0014","12.8234","0.0014","90","","100.67","0.004","90","","1282.7","0.2","273","2","273","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C14 H10 N2 O4 S -","- C14 H10 N2 O4 S -","- C56 H40 N8 O16 S4 -","4","1","","Tan, Davin; Friščić, Tomislav","Carbodiimide insertion into sulfonimides: one-step route to azepine derivatives via a two-atom saccharin ring expansion.","Chemical communications (Cambridge, England)","2017","53","5","901","904","10.1039/c6cc07331j","","","0.71073","MoKα","","0.047","0.0338","","","0.079","0.0843","","","","","","1.046","","","","has coordinates","191481","2020-10-21","18:00:00",""
"7119217","10.1345","0.0005","23.574","0.0011","12.0357","0.0006","90","","105.189","0.002","90","","2775","0.2","100","2","100","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C31 H35 As Br2 -","- C31 H35 As Br2 -","- C124 H140 As4 Br8 -","4","1","","Morales Salazar, Daniel; Mijangos, Edgar; Pullen, Sonja; Gao, Ming; Orthaber, Andreas","Functional small-molecules & polymers containing P[double bond, length as m-dash]C and As[double bond, length as m-dash]C bonds as hybrid π-conjugated materials.","Chemical communications (Cambridge, England)","2017","53","6","1120","1123","10.1039/c6cc08736a","","","0.71073","MoKα","","0.0772","0.0423","","","0.0793","0.0875","","","","","","1.025","","","","has coordinates","191471","2020-10-21","18:00:00",""
"7119218","10.149","0.0008","23.497","0.002","11.9741","0.0011","90","","105.805","0.006","90","","2747.5","0.4","100","2","100","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C31 H35 Br2 P -","- C31 H35 Br2 P -","- C124 H140 Br8 P4 -","4","1","","Morales Salazar, Daniel; Mijangos, Edgar; Pullen, Sonja; Gao, Ming; Orthaber, Andreas","Functional small-molecules & polymers containing P[double bond, length as m-dash]C and As[double bond, length as m-dash]C bonds as hybrid π-conjugated materials.","Chemical communications (Cambridge, England)","2017","53","6","1120","1123","10.1039/c6cc08736a","","","0.71073","MoKα","","0.0911","0.0529","","","0.1061","0.1186","","","","","","1.039","","","","has coordinates","191471","2020-10-21","18:00:00",""
"7119219","40.116","0.004","12.0063","0.0011","14.4519","0.0016","90","","103.394","0.007","90","","6771.4","1.2","100","2","100","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C39 H41 P S2 -","- C39 H41 P S2 -","- C312 H328 P8 S16 -","8","1","","Morales Salazar, Daniel; Mijangos, Edgar; Pullen, Sonja; Gao, Ming; Orthaber, Andreas","Functional small-molecules & polymers containing P[double bond, length as m-dash]C and As[double bond, length as m-dash]C bonds as hybrid π-conjugated materials.","Chemical communications (Cambridge, England)","2017","53","6","1120","1123","10.1039/c6cc08736a","","","0.71073","MoKα","","0.1571","0.0986","","","0.279","0.3216","","","","","","1.031","","","","has coordinates,has disorder","191471","2020-10-21","18:00:00",""
"7119220","9.2061","0.0003","30.1345","0.001","15.3956","0.0005","90","","105.096","0.002","90","","4123.7","0.2","100","2","100","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C39 H41 Au Cl P S2 -","- C39 H41 Au Cl P S2 -","- C156 H164 Au4 Cl4 P4 S8 -","4","1","","Morales Salazar, Daniel; Mijangos, Edgar; Pullen, Sonja; Gao, Ming; Orthaber, Andreas","Functional small-molecules & polymers containing P[double bond, length as m-dash]C and As[double bond, length as m-dash]C bonds as hybrid π-conjugated materials.","Chemical communications (Cambridge, England)","2017","53","6","1120","1123","10.1039/c6cc08736a","","","0.71073","MoKα","","0.0619","0.0478","","","0.0964","0.1003","","","","","","1.155","","","","has coordinates,has disorder","191471","2020-10-21","18:00:00",""
"7119222","9.9709","0.0001","20.7798","0.0003","14.2744","0.0002","90","","98.872","0.001","90","","2922.17","0.07","152","2","152","2","","","","","","","","8","P 1 21/c 1","-P 2ybc","14","","","","- C25 H44 Cl Ge N2 O P2 Rh -","- C25 H44 Cl Ge N2 O P2 Rh -","- C100 H176 Cl4 Ge4 N8 O4 P8 Rh4 -","4","1","","Álvarez-Rodríguez, Lucía; Brugos, Javier; Cabeza, Javier A.; García-Álvarez, Pablo; Pérez-Carreño, Enrique; Polo, Diego","Synthesis and initial transition metal chemistry of the first PGeP pincer-type germylene.","Chemical communications (Cambridge, England)","2017","53","5","893","896","10.1039/c6cc09283g","","","1.54184","CuKα","","0.031","0.0266","","","0.0639","0.0666","","","","","","1.02","","","","has coordinates","191482","2020-10-21","18:00:00",""
"7119223","14.5188","0.0002","17.9914","0.0002","13.3164","0.0002","90","","92.922","0.001","90","","3473.9","0.08","151","2","151","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C32 H56 Cl Ge N2 P2 Rh -","- C32 H56 Cl Ge N2 P2 Rh -","- C128 H224 Cl4 Ge4 N8 P8 Rh4 -","4","1","","Álvarez-Rodríguez, Lucía; Brugos, Javier; Cabeza, Javier A.; García-Álvarez, Pablo; Pérez-Carreño, Enrique; Polo, Diego","Synthesis and initial transition metal chemistry of the first PGeP pincer-type germylene.","Chemical communications (Cambridge, England)","2017","53","5","893","896","10.1039/c6cc09283g","","","1.5418","CuKα","","0.035","0.0306","","","0.076","0.0791","","","","","","1.04","","","","has coordinates","191482","2020-10-21","18:00:00",""
"7119224","17.2945","0.0014","17.5482","0.0008","22.8262","0.0009","90","","90","","90","","6927.5","0.7","145","2","145","2","","","","","","","","7","P b c a","-P 2ac 2ab","61","","","","- C30 H44 Co2 Ge N2 O6 P2 -","- C30 H44 Co2 Ge N2 O6 P2 -","- C240 H352 Co16 Ge8 N16 O48 P16 -","8","1","","Álvarez-Rodríguez, Lucía; Brugos, Javier; Cabeza, Javier A.; García-Álvarez, Pablo; Pérez-Carreño, Enrique; Polo, Diego","Synthesis and initial transition metal chemistry of the first PGeP pincer-type germylene.","Chemical communications (Cambridge, England)","2017","53","5","893","896","10.1039/c6cc09283g","","","1.5418","CuKα","","0.1414","0.0934","","","0.2533","0.3534","","","","","","1.058","","","","has coordinates","191482","2020-10-21","18:00:00",""
"7119225","11.7387","0.0006","17.267","0.001","18.6974","0.001","74.296","0.005","80.993","0.004","80.308","0.004","3571.6","0.3","149","2","149","2","","","","","","","","7","P -1","-P 1","2","","","","- C65.5 H108 Cl4 Ge2 N4 P4 Pd2 -","- C65.5 H108 Cl4 Ge2 N4 P4 Pd2 -","- C131 H216 Cl8 Ge4 N8 P8 Pd4 -","2","1","","Álvarez-Rodríguez, Lucía; Brugos, Javier; Cabeza, Javier A.; García-Álvarez, Pablo; Pérez-Carreño, Enrique; Polo, Diego","Synthesis and initial transition metal chemistry of the first PGeP pincer-type germylene.","Chemical communications (Cambridge, England)","2017","53","5","893","896","10.1039/c6cc09283g","","","1.54184","CuKα","","0.0318","0.0265","","","0.0633","0.0665","","","","","","1.015","","","","has coordinates,has disorder","191482","2020-10-21","18:00:00",""
"7119226","10.445","0.002","14.347","0.003","14.407","0.003","82.53","0.03","85.3","0.03","74.55","0.03","2060.7","0.8","293","2","293","2","","","","","","","","6","P -1","-P 1","2","","","","- C22 H23 Cl N2 O0 Ru -","- C22 H23 Cl N2 Ru -","- C88 H92 Cl4 N8 Ru4 -","4","2","","Li, Gang; Ma, Xingxing; Jia, Chunqi; Han, Qingqing; Wang, Ya; Wang, Junjie; Yu, Liuyang; Yang, Suling","Ruthenium-catalyzed meta/ortho-selective C-H alkylation of azoarenes using alkyl bromides.","Chemical communications (Cambridge, England)","2017","53","7","1261","1264","10.1039/c6cc09323j","","","0.71073","MoKα","","0.0817","0.0695","","","0.1802","0.1846","","","","","","1.105","","","","has coordinates","191456","2020-10-21","18:00:00",""
"7119227","9.1134","0.0003","9.5041","0.0004","18.0048","0.0007","85.032","0.003","80.364","0.003","67.851","0.004","1423.55","0.1","100","2","100","2","","","","","","","","7","P -1","-P 1","2","","tin 1-methoxy-2-(2-methoxyethoxy)ethane ethanolbis(trifluoromethylsulfonyl)imide","","- C12 H20 F12 N2 O12 S4 Sn -","- C12 H20 F12 N2 O12 S4 Sn -","- C24 H40 F24 N4 O24 S8 Sn2 -","2","1","","Steichen, Marc; Malaquias, João C; Arasimowicz, Monika; Djemour, Rabie; Brooks, Neil R.; Van Meervelt, Luc; Fransaer, Jan; Binnemans, Koen; Dale, Phillip J.","High-speed electrodeposition of copper-tin-zinc stacks from liquid metal salts for Cu2ZnSnSe4 solar cells.","Chemical communications (Cambridge, England)","2017","53","5","913","916","10.1039/c6cc09225j","","","0.71073","MoKα","","0.0555","0.0518","","","0.1111","0.1129","","","","","","1.262","","","","has coordinates,has disorder","191483","2020-10-21","18:00:00",""
"7119228","38.596","0.008","15.279","0.003","23.6","0.005","90","","101.29","0.03","90","","13648","5","293","2","293","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C53 H38 N6 O20 Zn2 -","- C53 H24 N6 O20 Zn2 -","- C424 H192 N48 O160 Zn16 -","8","1","","Xiang, Jing; Liu, Jia-Jia; Chen, Xiao-Xiang; Jia, Li-Hui; Yu, Fei; Wang, Bing-Wu; Gao, Song; Lau, Tai-Chu","Slow magnetic relaxation in a mononuclear 8-coordinate Fe(ii) complex.","Chemical communications (Cambridge, England)","2017","53","9","1474","1477","10.1039/c6cc09801k","","","0.71073","MoKα","","0.1832","0.0783","","","0.1782","0.2101","","","","","","0.973","","","","has coordinates","191495","2020-10-21","18:00:00",""
"7119229","10.9689","0.0007","11.2631","0.0008","15.5168","0.001","90","","104.218","0.001","90","","1858.3","0.2","296","2","296","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","5,6a,8,8-tetramethyl-10-phenyl-7,8-dihydrophenanthridine-6,9(5H,6aH)-dione","","- C23 H23 N O2 -","- C23 H23 N O2 -","- C92 H92 N4 O8 -","4","1","","Liu, Bang; Wang, Cheng-Yong; Hu, Ming; Song, Ren-Jie; Chen, Fan; Li, Jin-Heng","Copper-promoted [2+2+2] annulation of 1,n-enynes through decomposition of azobis(alkyl nitrile)s.","Chemical communications (Cambridge, England)","2017","53","7","1265","1268","10.1039/c6cc09063j","","","0.71073","MoKα","","0.0664","0.0466","","","0.125","0.1379","","","","","","1.048","","","","has coordinates","191458","2020-10-21","18:00:00",""
"7119236","19.79","0.04","14.87","0.03","25.04","0.04","90","","100.33","0.03","90","","7249","2","446","2","446","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C41 H32 Br N3 O6 Re -","- C41 H32 Br N3 O6 Re -","- C328 H256 Br8 N24 O48 Re8 -","8","1","","Raszeja, Lukasz J.; Siegmund, Daniel; Cordes, Anna L.; Güldenhaupt, Jörn; Gerwert, Klaus; Hahn, Stephan; Metzler-Nolte, Nils","Asymmetric rhenium tricarbonyl complexes show superior luminescence properties in live cell imaging.","Chemical communications (Cambridge, England)","2017","53","5","905","908","10.1039/c6cc07553c","","","0.71073","MoKα","","0.0476","0.0403","","","0.0898","0.0939","","","","","","1.125","","","","has coordinates","191484","2020-10-21","18:00:00",""
"7119237","13.791","0.002","13.5301","0.0015","20.451","0.004","90","","108.728","0.006","90","","3614","1","293","2","293","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C38 H33 Br N3 O7 Re -","- C38 H33 Br N3 O7 Re -","- C152 H132 Br4 N12 O28 Re4 -","4","1","","Raszeja, Lukasz J.; Siegmund, Daniel; Cordes, Anna L.; Güldenhaupt, Jörn; Gerwert, Klaus; Hahn, Stephan; Metzler-Nolte, Nils","Asymmetric rhenium tricarbonyl complexes show superior luminescence properties in live cell imaging.","Chemical communications (Cambridge, England)","2017","53","5","905","908","10.1039/c6cc07553c","","","0.71075","MoKα","","0.0653","0.0533","","","0.1322","0.1423","","","","","","1.13","","","","has coordinates","191484","2020-10-21","18:00:00",""
"7119238","14.2253","0.0004","13.4844","0.0003","19.7773","0.0004","90","","109.927","0.003","90","","3566.54","0.16","103","2","103","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C34 H31 Br N3 O7 Re -","- C34 H31 Br N3 O7 Re -","- C136 H124 Br4 N12 O28 Re4 -","4","1","","Raszeja, Lukasz J.; Siegmund, Daniel; Cordes, Anna L.; Güldenhaupt, Jörn; Gerwert, Klaus; Hahn, Stephan; Metzler-Nolte, Nils","Asymmetric rhenium tricarbonyl complexes show superior luminescence properties in live cell imaging.","Chemical communications (Cambridge, England)","2017","53","5","905","908","10.1039/c6cc07553c","","","0.71073","MoKα","","0.0403","0.0322","","","0.0788","0.0834","","","","","","1.081","","","","has coordinates","191484","2020-10-21","18:00:00",""
"7119239","22.1833","0.0006","10.5501","0.0003","23.194","0.0004","90","","114.455","0.0014","90","","4941.2","0.2","200","","200","","","","","","","","Research School of Chemistry","8","P 1 21/c 1","-P 2ybc","14","","","","- C38 H48 B2 Cl5 N12 O4 P W2 -","- C38 H48 B2 Cl5 N12 O4 P W2 -","- C152 H192 B8 Cl20 N48 O16 P4 W8 -","4","1","","Colebatch, Annie L.; Han, Yong-Shen; Hill, Anthony F.; Sharma, Manab; Shang, Rong; Ward, Jas S.","Rearrangement of bis(alkylidynyl)phosphines to phospha-acyls.","Chemical communications (Cambridge, England)","2017","53","11","1832","1835","10.1039/c6cc09764b","","","0.71073","MoKα","","0.115","0.0964","","0.2416","0.2367","0.2416","","","","","","1.0583","","","","has coordinates","191491","2020-10-21","18:00:00",""
"7119240","10.5139","0.0004","21.4625","0.0009","24.213","0.0009","66.375","0.004","88.74","0.003","84.806","0.003","4984.7","0.4","150.01","0.1","150.01","0.1","","","","","","","","7","P -1","-P 1","2","","","","- C42 H49 B2 N12 O4 P W2 -","- C42 H49 B2 N12 O4 P W2 -","- C168 H196 B8 N48 O16 P4 W8 -","4","2","","Colebatch, Annie L.; Han, Yong-Shen; Hill, Anthony F.; Sharma, Manab; Shang, Rong; Ward, Jas S.","Rearrangement of bis(alkylidynyl)phosphines to phospha-acyls.","Chemical communications (Cambridge, England)","2017","53","11","1832","1835","10.1039/c6cc09764b","","x-ray","0.71073","MoKα","","0.0896","0.0609","","","0.1166","0.1275","","","","","","1.102","","","","has coordinates","191491","2020-10-21","18:00:00",""
"7119241","24.2055","0.0003","10.4092","0.0001","25.5107","0.0003","90","","105.984","0.0006","90","","6179.17","0.12","200","","200","","","","","","","","Research School of Chemistry","7","P 1 21/c 1","-P 2ybc","14","","","","- C48 H61 B2 N12 O4 P W2 -","- C48 H61 B2 N12 O4 P W2 -","- C192 H244 B8 N48 O16 P4 W8 -","4","1","","Colebatch, Annie L.; Han, Yong-Shen; Hill, Anthony F.; Sharma, Manab; Shang, Rong; Ward, Jas S.","Rearrangement of bis(alkylidynyl)phosphines to phospha-acyls.","Chemical communications (Cambridge, England)","2017","53","11","1832","1835","10.1039/c6cc09764b","","","0.71073","MoKα","","0.0584","0.0375","","0.0999","0.0827","0.0999","","","","","","0.9504","","","","has coordinates","191491","2020-10-21","18:00:00",""
"7119242","24.8643","0.0005","10.74","0.0002","19.29","0.0004","90","","90","","90","","5151.25","0.18","200","","200","","","","","","","","Research School of Chemistry","7","P c a 21","P 2c -2ac","29","","","","- C48 H55 B2 N12 O4 P W2 -","- C48 H55 B2 N12 O4 P W2 -","- C192 H220 B8 N48 O16 P4 W8 -","4","1","","Colebatch, Annie L.; Han, Yong-Shen; Hill, Anthony F.; Sharma, Manab; Shang, Rong; Ward, Jas S.","Rearrangement of bis(alkylidynyl)phosphines to phospha-acyls.","Chemical communications (Cambridge, England)","2017","53","11","1832","1835","10.1039/c6cc09764b","","","0.71073","MoKα","","0.0678","0.0427","","0.0894","0.0735","0.0894","","","","","","0.956","","","","has coordinates","191491","2020-10-21","18:00:00",""
"7119243","11.1313","0.0003","12.0117","0.0003","14.7648","0.0004","66.579","0.003","78.59","0.003","80.819","0.002","1768.49","0.09","123.3","0.6","123.3","0.6","","","","","","","","4","P -1","-P 1","2","","","","- C36 H52 N4 Tl2 -","- C36 H52 N4 Tl2 -","- C72 H104 N8 Tl4 -","2","1","","Desat, Marcella E.; Gärtner, Stefanie; Kretschmer, Robert","Dinuclear indium and thallium diyls: biscarbenoids or metal cluster?","Chemical communications (Cambridge, England)","2017","53","9","1510","1513","10.1039/c6cc09488k","","x-ray","1.54184","CuKα","","0.0314","0.0267","","","0.0645","0.0672","","","","","","1.042","","","","has coordinates,has disorder","191497","2020-10-21","18:00:00",""
"7119244","11.49565","0.00018","12.7946","0.0002","14.8078","0.0002","106.411","0.0014","108.225","0.0014","99.2006","0.0015","1909.35","0.06","123","0.2","123","0.2","","","","","","","","5","P -1","-P 1","2","","","","- C36 H52 In2 N4 O0.08 -","- C36 H52 In2 N4 O0.078 -","- C72 H104 In4 N8 O0.156 -","2","1","","Desat, Marcella E.; Gärtner, Stefanie; Kretschmer, Robert","Dinuclear indium and thallium diyls: biscarbenoids or metal cluster?","Chemical communications (Cambridge, England)","2017","53","9","1510","1513","10.1039/c6cc09488k","","x-ray","1.54184","CuKα","","0.0333","0.0291","","","0.0723","0.075","","","","","","1.059","","","","has coordinates,has disorder","191497","2020-10-21","18:00:00",""
"7119245","23.7685","0.0014","3.5428","0.0002","28.7556","0.0019","90","","112.831","0.002","90","","2231.7","0.2","10","2","10","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","Gallic acid monohydrate","","- C7 H8 O6 -","- C7 H8 O6 -","- C84 H96 O72 -","12","3","","Hoser, A. A.; Sovago, I.; Lanza, A.; Madsen, A Ø","A crystal structure prediction enigma solved: the gallic acid monohydrate system - surprises at 10 K.","Chemical communications (Cambridge, England)","2017","53","5","925","928","10.1039/c6cc06799a","","x-ray","0.71073","MoKα","","0.0824","0.0514","","","0.1402","0.1592","","","","","","1.019","","","","has coordinates","191485","2020-10-21","18:00:00",""
"7119246","9.7824","0.0005","3.5428","0.0002","21.4669","0.001","90","","91.149","0.005","90","","743.83","0.07","10","2","10","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C7 H8 O6 -","- C7 H8 O6 -","- C28 H32 O24 -","4","1","","Hoser, A. A.; Sovago, I.; Lanza, A.; Madsen, A Ø","A crystal structure prediction enigma solved: the gallic acid monohydrate system - surprises at 10 K.","Chemical communications (Cambridge, England)","2017","53","5","925","928","10.1039/c6cc06799a","","x-ray","0.71073","MoKα","","0.0593","0.0518","","","0.1341","0.1399","","","","","","1.091","","","","has coordinates","191485","2020-10-21","18:00:00",""
"7119247","9.7573","0.0004","3.5579","0.0001","21.517","0.0009","90","","91.338","0.001","90","","746.77","0.05","123","2","123","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C7 H8 O6 -","- C7 H8 O6 -","- C28 H32 O24 -","4","1","","Hoser, A. A.; Sovago, I.; Lanza, A.; Madsen, A Ø","A crystal structure prediction enigma solved: the gallic acid monohydrate system - surprises at 10 K.","Chemical communications (Cambridge, England)","2017","53","5","925","928","10.1039/c6cc06799a","","x-ray","0.71073","MoKα","","0.048","0.035","","","","0.039","","","","","","1.994","","","","has coordinates","191485","2020-10-21","18:00:00",""
"7119248","12.1928","0.0012","8.0344","0.0006","14.1806","0.0013","90","","103.454","0.009","90","","1351","0.2","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C16 H13 F2 N O2 -","- C16 H13 F2 N O2 -","- C64 H52 F8 N4 O8 -","4","1","","Ke, Miaolin; Song, Qiuling","Copper/B2pin2-catalyzed C-H difluoroacetylation-cycloamidation of anilines leading to the formation of 3,3-difluoro-2-oxindoles.","Chemical communications (Cambridge, England)","2017","53","14","2222","2225","10.1039/c6cc09643c","","","0.71073","MoKα","","0.0833","0.046","","","0.0888","0.1029","","","","","","1.006","","","","has coordinates","206489","2020-10-21","18:00:00",""
"7119249","8.4538","0.0008","9.4567","0.0007","10.8021","0.0008","89.874","0.006","74.59","0.008","81.932","0.007","823.73","0.12","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C11 H10 F0.25 N O -","- C9 H7 F2 N O -","- C36 H28 F8 N4 O4 -","4","2","","Ke, Miaolin; Song, Qiuling","Copper/B2pin2-catalyzed C-H difluoroacetylation-cycloamidation of anilines leading to the formation of 3,3-difluoro-2-oxindoles.","Chemical communications (Cambridge, England)","2017","53","14","2222","2225","10.1039/c6cc09643c","","x-ray","0.71073","MoKα","","0.0889","0.0517","","","0.1168","0.1388","","","","","","1.033","","","","has coordinates","193694","2020-10-21","18:00:00",""
"7119250","10.9946","0.001","7.5522","0.0007","11.4653","0.001","90","","97.431","0.009","90","","944.01","0.15","293","2","293","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C11 H10 F0.25 N O -","- C12 H7 F2 N O -","- C48 H28 F8 N4 O4 -","4","1","","Ke, Miaolin; Song, Qiuling","Copper/B2pin2-catalyzed C-H difluoroacetylation-cycloamidation of anilines leading to the formation of 3,3-difluoro-2-oxindoles.","Chemical communications (Cambridge, England)","2017","53","14","2222","2225","10.1039/c6cc09643c","","x-ray","0.71073","MoKα","","0.0668","0.0456","","","0.132","0.1516","","","","","","0.994","","","","has coordinates","193694","2020-10-21","18:00:00",""
"7119251","7.508","0.005","11.017","0.007","14.78","0.01","90","","90.564","0.012","90","","1222.5","1.4","273","2","273","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","1-bromo-12H-benzo[4,5]thiazolo[2,3-b]quinazolin-12-one","","- C14 H7 Br N2 O S -","- C14 H7 Br N2 O S -","- C56 H28 Br4 N8 O4 S4 -","4","1","","Zhou, Zhi-Wen; Jia, Feng-Cheng; Xu, Cheng; Jiang, Shi-Fen; Wu, Yan-Dong; Wu, An-Xin","A concise construction of 12H-benzo[4,5]thiazolo[2,3-b]quinazolin-12-ones via an unusual TBHP/Na2CO3 promoted cascade oxidative cyclization and interrupted Dimroth rearrangement.","Chemical communications (Cambridge, England)","2017","53","6","1056","1059","10.1039/c6cc09376k","","","0.71073","MoKα","","0.1107","0.0612","","","0.1395","0.1547","","","","","","0.91","","","","has coordinates","191470","2020-10-21","18:00:00",""
"7119252","9.903","0.002","27.232","0.005","17.415","0.004","90","","102.93","0.03","90","","4577.4","1.7","200","","200","","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C45.55 H62.37 N5.77 O5 Yb -","- C45.55 H62.373 N5.775 O5 Yb -","- C182.2 H249.492 N23.1 O20 Yb4 -","4","1","","Molloy, J. K.; Jarjayes, O.; Philouze, C.; Fedele, L.; Imbert, D.; Thomas, F.","A redox active switch for lanthanide luminescence in phenolate complexes.","Chemical communications (Cambridge, England)","2017","53","3","605","608","10.1039/c6cc07942c","","x-ray","0.71073","MoKα","","0.06","0.0373","","","0.0859","0.0966","","","","","","1.041","","","","has coordinates,has disorder","189783","2020-10-21","18:00:00",""
"7119253","9.908","0.002","27.316","0.006","17.341","0.004","90","","102.73","0.03","90","","4577.9","1.8","200","","200","","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C45.3 H62.05 N5.65 O5 Tb -","- C45.3 H62.04 N5.65 O5 Tb -","- C181.2 H248.16 N22.6 O20 Tb4 -","4","1","","Molloy, J. K.; Jarjayes, O.; Philouze, C.; Fedele, L.; Imbert, D.; Thomas, F.","A redox active switch for lanthanide luminescence in phenolate complexes.","Chemical communications (Cambridge, England)","2017","53","3","605","608","10.1039/c6cc07942c","","x-ray","0.71073","MoKα","","0.1068","0.0856","","","0.2167","0.2357","","","","","","1.108","","","","has coordinates,has disorder","189783","2020-10-21","18:00:00",""
"7119254","15.9902","0.0005","6.7069","0.0002","15.597","0.0005","90","","107.569","0.002","90","","1594.67","0.09","173","2","173","2","","","","","","","","3","C 1 2 1","C 2y","5","","","","- C19 H16 O4 -","- C19 H16 O4 -","- C76 H64 O16 -","4","1","","Wang, Mo; Zhang, Xiao; Ling, Zheng; Zhang, Zhenfeng; Zhang, Wanbin","Direct enantioselective C-acylation for the construction of a quaternary stereocenter catalyzed by a chiral bicyclic imidazole.","Chemical communications (Cambridge, England)","2017","53","8","1381","1384","10.1039/c6cc09451a","","","1.54178","CuKα","","0.0507","0.0374","","","0.0844","0.0902","","","","","","1.015","","","","has coordinates","191492","2020-10-21","18:00:00",""
"7119255","10.1361","0.0003","20.7607","0.0008","14.8742","0.0007","90","","90","","90","","3130","0.2","293","2","293.15","","","","","","","","","7","P 21 21 2","P 2 2ab","18","","","","- C30 H28 Cl2 N Ni O P -","- C30 H28 Cl2 N Ni O P -","- C120 H112 Cl8 N4 Ni4 O4 P4 -","4","1","","Quan, Mao; Tang, Liang; Shen, Jiaqi; Yang, Guoqiang; Zhang, Wanbin","Ni(ii)-catalyzed asymmetric addition of arylboronic acids to cyclic imines.","Chemical communications (Cambridge, England)","2017","53","3","609","612","10.1039/c6cc08759k","","","0.71073","MoKα","","0.0461","0.0364","","","0.086","0.0916","","","","","","1.026","","","","has coordinates","189785","2020-10-21","18:00:00",""
"7119256","13.4555","0.0008","13.4555","0.0008","37.438","0.003","90","","90","","120","","5870.1","0.7","100","2","100","2","","","","","","","","8","P -3 c 1","-P 3 2""c","165","","","","- C132 H99 Cl F12 Fe2 N36 O2 P2 -","- C132 H99 Cl F12 Fe2 N36 O2 P2 -","- C264 H198 Cl2 F24 Fe4 N72 O4 P4 -","2","0.166667","","Darawsheh, M. D.; Barrios, L. A.; Roubeau, O.; Teat, S. J.; Aromí, G","Guest-tuned spin crossover in flexible supramolecular assemblies templated by a halide (Cl(-), Br(-) or I(-)).","Chemical communications (Cambridge, England)","2017","53","3","569","572","10.1039/c6cc08906b","","","0.7749","synchrotron","","0.1589","0.1402","","","0.3014","0.3137","","","","","","1.099","","","","has coordinates","189786","2020-10-21","18:00:00",""
"7119257","13.4928","0.0006","21.3643","0.001","28.7728","0.0013","73.32","0.003","80.537","0.003","85.23","0.003","7831.4","0.6","100","2","100","2","","","","","","","","6","P -1","-P 1","2","","","","- C166 H140 Cl13 Fe5 N36 O2 -","- C166 H137.272 Cl13 Fe5 N36 O2 -","- C332 H274.544 Cl26 Fe10 N72 O4 -","2","1","","Darawsheh, M. D.; Barrios, L. A.; Roubeau, O.; Teat, S. J.; Aromí, G","Guest-tuned spin crossover in flexible supramolecular assemblies templated by a halide (Cl(-), Br(-) or I(-)).","Chemical communications (Cambridge, England)","2017","53","3","569","572","10.1039/c6cc08906b","","","0.7749","synchrotron","","0.13","0.0805","","","0.1812","0.213","","","","","","1.052","","","","has coordinates,has disorder","189786","2020-10-21","18:00:00",""
"7119258","23.9867","0.0008","13.4513","0.0005","40.6047","0.0014","90","","91.448","0.002","90","","13097","0.8","100","2","100","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C140 H119.2 Fe2 I4.8 N36 O6 -","- C140 H111.2 Fe2 I4.8 N36 O6 -","- C560 H444.8 Fe8 I19.2 N144 O24 -","4","0.5","","Darawsheh, M. D.; Barrios, L. A.; Roubeau, O.; Teat, S. J.; Aromí, G","Guest-tuned spin crossover in flexible supramolecular assemblies templated by a halide (Cl(-), Br(-) or I(-)).","Chemical communications (Cambridge, England)","2017","53","3","569","572","10.1039/c6cc08906b","","","0.7749","synchrotron","","0.1096","0.0844","","","0.212","0.2253","","","","","","1.099","","","","has coordinates,has disorder","189786","2020-10-21","18:00:00",""
"7119259","13.5619","0.0005","13.5619","0.0005","37.307","0.002","90","","90","","120","","5942.4","0.4","100","2","100","2","","","","","","","","8","P -3 c 1","-P 3 2""c","165","","","","- C132 H99 Br F12 Fe2 N36 O2 P2 -","- C132 H99 Br F12 Fe2 N36 O2 P2 -","- C264 H198 Br2 F24 Fe4 N72 O4 P4 -","2","0.166667","","Darawsheh, M. D.; Barrios, L. A.; Roubeau, O.; Teat, S. J.; Aromí, G","Guest-tuned spin crossover in flexible supramolecular assemblies templated by a halide (Cl(-), Br(-) or I(-)).","Chemical communications (Cambridge, England)","2017","53","3","569","572","10.1039/c6cc08906b","","","0.7749","synchrotron","","0.0764","0.0651","","","0.1644","0.1725","","","","","","1.15","","","","has coordinates","189786","2020-10-21","18:00:00",""
"7119260","24.356","0.001","13.6794","0.0007","39.437","0.002","90","","97.682","0.003","90","","13021.5","1.1","100","2","100","2","","","","","","","","8","P 1 21/n 1","-P 2yn","14","","","","- C134 H104 F13.39 Fe2 I2.88 N36 O2 P2.23 -","- C134 H104 F13.392 Fe2 I2.884 N36 O2 P2.232 -","- C536 H416 F53.568 Fe8 I11.536 N144 O8 P8.928 -","4","1","","Darawsheh, M. D.; Barrios, L. A.; Roubeau, O.; Teat, S. J.; Aromí, G","Guest-tuned spin crossover in flexible supramolecular assemblies templated by a halide (Cl(-), Br(-) or I(-)).","Chemical communications (Cambridge, England)","2017","53","3","569","572","10.1039/c6cc08906b","","","0.7749","synchrotron","","0.1547","0.1231","","","0.3389","0.3705","","","","","","1.06","","","","has coordinates,has disorder","189786","2020-10-21","18:00:00",""
"7119261","10.3921","0.0003","11.9914","0.0003","17.5331","0.0004","80.3565","0.0012","89.9964","0.0014","76.6551","0.0013","2094.17","0.09","100","2","100.04","","","","","","","","","5","P -1","-P 1","2","","","","- C25 H15 F3 N4 O -","- C25 H15 F3 N4 O -","- C100 H60 F12 N16 O4 -","4","2","","Smith, Courtney A.; Motika, Stephen E.; Wojtas, Lukasz; Shi, Xiaodong","Accessing alternative reaction pathways of the intermolecular condensation between homo-propargyl alcohols and terminal alkynes through divergent gold catalysis.","Chemical communications (Cambridge, England)","2017","53","15","2315","2318","10.1039/c6cc09794d","","","1.54178","CuKα","","0.0719","0.0463","","","0.0938","0.106","","","","","","1.047","","","","has coordinates,has disorder","193700","2020-10-21","18:00:00",""
"7119262","7.2823","0.0002","10.5512","0.0003","11.3059","0.0003","92.629","0.001","100.821","0.001","101.197","0.001","833.96","0.04","100","2","100","","","","","","","","","4","P -1","-P 1","2","","","","- C22 H20 Fe O -","- C22 H20 Fe O -","- C44 H40 Fe2 O2 -","2","1","","Smith, Courtney A.; Motika, Stephen E.; Wojtas, Lukasz; Shi, Xiaodong","Accessing alternative reaction pathways of the intermolecular condensation between homo-propargyl alcohols and terminal alkynes through divergent gold catalysis.","Chemical communications (Cambridge, England)","2017","53","15","2315","2318","10.1039/c6cc09794d","","","1.54178","CuKα","","0.0373","0.0329","","","0.0734","0.0761","","","","","","1.033","","","","has coordinates,has disorder","193700","2020-10-21","18:00:00",""
"7119263","14.4429","0.0004","8.4127","0.0002","15.5871","0.0004","90","","100.53","0.001","90","","1862","0.08","100","2","100.03","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C24 H16 N4 O -","- C24 H16 N4 O -","- C96 H64 N16 O4 -","4","1","","Smith, Courtney A.; Motika, Stephen E.; Wojtas, Lukasz; Shi, Xiaodong","Accessing alternative reaction pathways of the intermolecular condensation between homo-propargyl alcohols and terminal alkynes through divergent gold catalysis.","Chemical communications (Cambridge, England)","2017","53","15","2315","2318","10.1039/c6cc09794d","","","1.54178","CuKα","","0.0819","0.0649","","","0.121","0.1291","","","","","","1.165","","","","has coordinates","193700","2020-10-21","18:00:00",""
"7119264","8.8728","0.0003","9.3584","0.0004","18.8092","0.0006","90","","91.365","0.002","90","","1561.38","0.1","173","2","173","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C34 H38 N3 O3 P -","- C34 H38 N3 O3 P -","- C68 H76 N6 O6 P2 -","2","1","","Seidenkranz, Daniel T.; McGrath, Jacqueline M.; Zakharov, Lev N.; Pluth, Michael D.","Supramolecular bidentate phosphine ligand scaffolds from deconstructed Hamilton receptors.","Chemical communications (Cambridge, England)","2017","53","3","561","564","10.1039/c6cc09198a","","","1.54178","CuKα","","0.0427","0.0389","","","0.0985","0.1014","","","","","","1.079","","","","has coordinates","189790","2020-10-21","18:00:00",""
"7119265","10.4191","0.0003","9.367","0.0003","32.2457","0.0009","90","","95.25","0.002","90","","3133.84","0.16","173","2","173","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C34 H38 N3 O3 P -","- C34 H38 N3 O3 P -","- C136 H152 N12 O12 P4 -","4","1","","Seidenkranz, Daniel T.; McGrath, Jacqueline M.; Zakharov, Lev N.; Pluth, Michael D.","Supramolecular bidentate phosphine ligand scaffolds from deconstructed Hamilton receptors.","Chemical communications (Cambridge, England)","2017","53","3","561","564","10.1039/c6cc09198a","","","1.54178","CuKα","","0.0445","0.0388","","","0.1027","0.1075","","","","","","1.024","","","","has coordinates","189790","2020-10-21","18:00:00",""
"7119266","41.6643","0.0009","9.4992","0.0002","18.7706","0.0004","90","","107.661","0.001","90","","7078.8","0.3","173","2","173","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C38 H46 N3 O4 P -","- C38 H46 N3 O4 P -","- C304 H368 N24 O32 P8 -","8","1","","Seidenkranz, Daniel T.; McGrath, Jacqueline M.; Zakharov, Lev N.; Pluth, Michael D.","Supramolecular bidentate phosphine ligand scaffolds from deconstructed Hamilton receptors.","Chemical communications (Cambridge, England)","2017","53","3","561","564","10.1039/c6cc09198a","","","1.54178","CuKα","","0.0541","0.0478","","","0.1289","0.1355","","","","","","1.04","","","","has coordinates","189790","2020-10-21","18:00:00",""
"7119267","20.5612","0.0005","29.735","0.0008","10.9975","0.0002","90","","103.325","0.002","90","","6542.7","0.3","173","2","173","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C68 H76 Cl2 N6 O6 P2 Pt -","- C68 H76 Cl2 N6 O6 P2 Pt -","- C272 H304 Cl8 N24 O24 P8 Pt4 -","4","1","","Seidenkranz, Daniel T.; McGrath, Jacqueline M.; Zakharov, Lev N.; Pluth, Michael D.","Supramolecular bidentate phosphine ligand scaffolds from deconstructed Hamilton receptors.","Chemical communications (Cambridge, England)","2017","53","3","561","564","10.1039/c6cc09198a","","","1.54178","CuKα","","0.078","0.0491","","","0.1034","0.1138","","","","","","1.025","","","","has coordinates,has disorder","189790","2020-10-21","18:00:00",""
"7119268","10.5","0.004","9.336","0.004","22.91","0.01","90","","100.864","0.009","90","","2205.6","1.6","113","2","113","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C24 H31 Cl O3 -","- C24 H26 Cl O3 -","- C96 H104 Cl4 O12 -","4","1","","Zhang, Zhi-Pei; Dong, Nan; Li, Xin","Bismuth-catalyzed allylation of para-quinone methides.","Chemical communications (Cambridge, England)","2017","53","7","1301","1304","10.1039/c6cc06605d","","","0.71073","MoKα","","0.1257","0.0799","","","0.2117","0.2432","","","","","","1.002","","","","has coordinates,has disorder","191455","2020-10-21","18:00:00",""
"7119269","7.9596","0.0002","15.2341","0.0004","16.7564","0.0005","110.407","0.001","100.757","0.001","97.385","0.001","1829.03","0.09","103","2","102.76","","","","","","","","","5","P -1","-P 1","2","","","","- C17 H15 Cl3 N2 O4 -","- C17 H15 Cl3 N2 O4 -","- C68 H60 Cl12 N8 O16 -","4","2","","Iyer, Akila; Jockusch, Steffen; Sivaguru, Jayaraman","A photo-auxiliary approach - enabling excited state classical phototransformations with metal free visible light irradiation.","Chemical communications (Cambridge, England)","2017","53","10","1692","1695","10.1039/c6cc09261f","","","1.54178","CuKα","","0.0322","0.0296","","","0.0736","0.0748","","","","","","1.026","","","","has coordinates","202518","2020-10-21","18:00:00",""
"7119270","8.5484","0.0003","34.4488","0.0011","15.2307","0.0005","90","","101.098","0.002","90","","4401.3","0.3","100","2","100","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C12 H10 N2 O3 -","- C12 H10 N2 O3 -","- C192 H160 N32 O48 -","16","4","","Iyer, Akila; Jockusch, Steffen; Sivaguru, Jayaraman","A photo-auxiliary approach - enabling excited state classical phototransformations with metal free visible light irradiation.","Chemical communications (Cambridge, England)","2017","53","10","1692","1695","10.1039/c6cc09261f","","","1.54178","CuKα","","0.0418","0.0363","","","0.0904","0.0941","","","","","","1.036","","","","has coordinates","191467","2020-10-21","18:00:00",""
"7119271","32.029","0.0013","11.6208","0.0005","16.5874","0.0007","90","","103.875","0.002","90","","5993.7","0.4","100","2","99.96","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C16 H14 N2 O4 -","- C16 H14 N2 O4 -","- C256 H224 N32 O64 -","16","4","","Iyer, Akila; Jockusch, Steffen; Sivaguru, Jayaraman","A photo-auxiliary approach - enabling excited state classical phototransformations with metal free visible light irradiation.","Chemical communications (Cambridge, England)","2017","53","10","1692","1695","10.1039/c6cc09261f","","","1.54178","CuKα","","0.0646","0.0612","","","0.1726","0.1768","","","","","","1.041","","","","has coordinates","191467","2020-10-21","18:00:00",""
"7119272","6.2485","0.0012","9.5833","0.0019","26.376","0.005","90","","90","","90","","1579.4","0.5","296","2","296","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","1-benzyl-2-phenyl-4-(trifluoromethyl)-2,5-dihydro-1H-pyrrole","","- C18 H16 F3 N -","- C18 H16 F3 N -","- C72 H64 F12 N4 -","4","1","","Zhou, Xiaofan; Huang, Chaoqian; Zeng, Yu; Xiong, Jiarui; Xiao, Yuanjing; Zhang, Junliang","Silver-catalysed tandem hydroamination and cyclization of 2-trifluoromethyl-1,3-enynes with primary amines: modular entry to 4-trifluoromethyl-3-pyrrolines.","Chemical communications (Cambridge, England)","2017","53","6","1084","1087","10.1039/c6cc09595j","","","0.71073","MoKα","","0.1212","0.0439","","","0.083","0.1092","","","","","","1.022","","","","has coordinates","191472","2020-10-21","18:00:00",""
"7119273","11.015","0.004","14.627","0.005","11.621","0.004","90","","112.793","0.009","90","","1726.1","1.1","296","2","296","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","1-benzyl-3-iodo-2-phenyl-4-(trifluoromethyl)-1H-pyrrole","","- C18 H13 F3 I N -","- C18 H13 F3 I N -","- C72 H52 F12 I4 N4 -","4","1","","Zhou, Xiaofan; Huang, Chaoqian; Zeng, Yu; Xiong, Jiarui; Xiao, Yuanjing; Zhang, Junliang","Silver-catalysed tandem hydroamination and cyclization of 2-trifluoromethyl-1,3-enynes with primary amines: modular entry to 4-trifluoromethyl-3-pyrrolines.","Chemical communications (Cambridge, England)","2017","53","6","1084","1087","10.1039/c6cc09595j","","","0.71073","MoKα","","0.0378","0.0313","","","0.0687","0.0736","","","","","","1.059","","","","has coordinates","191472","2020-10-21","18:00:00",""
"7119274","19.613","0.003","19.613","0.003","13.849","0.003","90","","90","","120","","4613.6","1.4","100","2","100","2","","","","","","","","5","P 63 2 2","P 6c 2c","182","","","","- C18 H36 Cu4 N10 O12 -","- C18 H30 Cu4 N9 O6 -","- C72 H120 Cu16 N36 O24 -","4","0.333333","","Song, Bai-Qiao; Chen, Da-Qin; Ji, Zhenguo; Tang, Junhong; Wang, Xin-Long; Zang, Hong-Ying; Su, Zhong-Min","Control of bulk homochirality and proton conductivity in isostructural chiral metal-organic frameworks.","Chemical communications (Cambridge, England)","2017","53","11","1892","1895","10.1039/c6cc07729c","","","0.71073","MoKα","","0.0932","0.0583","","","0.1581","0.1785","","","","","","1.058","","","","has coordinates","191487","2020-10-21","18:00:00",""
"7119275","19.603","0.005","19.603","0.005","13.939","0.005","90","","90","","120","","4639","2","100","2","100","2","","","","","","","","5","P 63 2 2","P 6c 2c","182","","","","- C24 H48 Cu4 N10 O6 -","- C24 H42 Cu4 N9 -","- C96 H168 Cu16 N36 -","4","0.333333","","Song, Bai-Qiao; Chen, Da-Qin; Ji, Zhenguo; Tang, Junhong; Wang, Xin-Long; Zang, Hong-Ying; Su, Zhong-Min","Control of bulk homochirality and proton conductivity in isostructural chiral metal-organic frameworks.","Chemical communications (Cambridge, England)","2017","53","11","1892","1895","10.1039/c6cc07729c","","","0.71069","MoKα","","0.0709","0.0475","","","0.1204","0.1332","","","","","","1.028","","","","has coordinates","191487","2020-10-21","18:00:00",""
"7119276","19.593","0.004","19.593","0.004","13.927","0.003","90","","90","","120","","4630.1","1.7","100","2","100","2","","","","","","","","5","P 63 2 2","P 6c 2c","182","","","","- C24 H48 Cu4 N10 O6 -","- C24 H42 Cu4 N9 -","- C96 H168 Cu16 N36 -","4","0.333333","","Song, Bai-Qiao; Chen, Da-Qin; Ji, Zhenguo; Tang, Junhong; Wang, Xin-Long; Zang, Hong-Ying; Su, Zhong-Min","Control of bulk homochirality and proton conductivity in isostructural chiral metal-organic frameworks.","Chemical communications (Cambridge, England)","2017","53","11","1892","1895","10.1039/c6cc07729c","","","0.71073","MoKα","","0.0737","0.0482","","","0.1264","0.1416","","","","","","1.006","","","","has coordinates","191487","2020-10-21","18:00:00",""
"7119277","19.6977","0.0013","19.6977","0.0013","13.8757","0.001","90","","90","","120","","4662.5","0.5","293","2","293","2","","","","","","","","5","P 63 2 2","P 6c 2c","182","","","","- C18 H30 Cu4 N10 O12 -","- C18 H30 Cu4 N9 O6 -","- C72 H120 Cu16 N36 O24 -","4","0.333333","","Song, Bai-Qiao; Chen, Da-Qin; Ji, Zhenguo; Tang, Junhong; Wang, Xin-Long; Zang, Hong-Ying; Su, Zhong-Min","Control of bulk homochirality and proton conductivity in isostructural chiral metal-organic frameworks.","Chemical communications (Cambridge, England)","2017","53","11","1892","1895","10.1039/c6cc07729c","","","0.71073","MoKα","","0.0782","0.0566","","","0.1424","0.1507","","","","","","1.006","","","","has coordinates,has disorder","191487","2020-10-21","18:00:00",""
"7119278","21.2533","0.0004","21.617","0.0004","25.3669","0.0005","75.244","0.001","83.199","0.002","82.524","0.002","11129.9","0.4","200","","200","","","","","","","","","6","P -1","-P 1","2","","","","- C247 H240 Cl4 La4 N16 O8 -","- C247 H240 Cl4 La4 N16 O8 -","- C494 H480 Cl8 La8 N32 O16 -","2","1","","Kazeminejad, Neda; Munzel, Denise; Gamer, Michael T.; Roesky, Peter W.","Bis(amidinate) ligands in early lanthanide chemistry - synthesis, structures, and hydroamination catalysis.","Chemical communications (Cambridge, England)","2017","53","6","1060","1063","10.1039/c6cc08958e","","","0.71073","MoKα","","0.1508","0.0879","","","0.2243","0.2794","","","","","","1.026","","","","has coordinates,has disorder","191473","2020-10-21","18:00:00",""
"7119279","20.8963","0.0009","22.8615","0.0008","25.1772","0.001","90","","94.338","0.003","90","","11993.2","0.8","150","","150","","","","","","","","","6","P 1 2/n 1","-P 2yac","13","","","","- C255 H280 La4 N20 O4 Si8 -","- C255 H279 La4 N20 O4 Si8 -","- C510 H558 La8 N40 O8 Si16 -","2","0.5","","Kazeminejad, Neda; Munzel, Denise; Gamer, Michael T.; Roesky, Peter W.","Bis(amidinate) ligands in early lanthanide chemistry - synthesis, structures, and hydroamination catalysis.","Chemical communications (Cambridge, England)","2017","53","6","1060","1063","10.1039/c6cc08958e","","","0.71073","MoKα","","0.2382","0.1308","","","0.281","0.3663","","","","","","1.103","","","","has coordinates,has disorder","191473","2020-10-21","18:00:00",""
"7119280","13.2427","0.0003","19.5465","0.0003","16.2","0.0003","90","","106.627","0.002","90","","4018.01","0.14","100","","100","","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C38 H62 N5 O Si2 Sm -","- C38 H62 N5 O Si2 Sm -","- C152 H248 N20 O4 Si8 Sm4 -","4","1","","Kazeminejad, Neda; Munzel, Denise; Gamer, Michael T.; Roesky, Peter W.","Bis(amidinate) ligands in early lanthanide chemistry - synthesis, structures, and hydroamination catalysis.","Chemical communications (Cambridge, England)","2017","53","6","1060","1063","10.1039/c6cc08958e","","","0.71073","MoKα","","0.0197","0.0169","","","0.0399","0.0407","","","","","","1.04","","","","has coordinates","191473","2020-10-21","18:00:00",""
"7119281","9.7749","0.0004","10.2099","0.0004","21.6219","0.001","78.582","0.004","80.858","0.004","89.827","0.004","2087.41","0.16","200","","200","","","","","","","","","5","P -1","-P 1","2","","","","- C46 H48 N4 O3 S2 -","- C46 H48 N4 O3 S2 -","- C92 H96 N8 O6 S4 -","2","1","","Kazeminejad, Neda; Munzel, Denise; Gamer, Michael T.; Roesky, Peter W.","Bis(amidinate) ligands in early lanthanide chemistry - synthesis, structures, and hydroamination catalysis.","Chemical communications (Cambridge, England)","2017","53","6","1060","1063","10.1039/c6cc08958e","","","0.71073","MoKα","","0.0747","0.0594","","","0.1686","0.1809","","","","","","1.05","","","","has coordinates,has disorder","191473","2020-10-21","18:00:00",""
"7119282","17.381","0.003","8.9219","0.0008","18.17","0.003","90","","114.373","0.011","90","","2566.5","0.7","150","","150","","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","","","- C28 H38 N4 -","- C28 H38 N4 -","- C112 H152 N16 -","4","1","","Kazeminejad, Neda; Munzel, Denise; Gamer, Michael T.; Roesky, Peter W.","Bis(amidinate) ligands in early lanthanide chemistry - synthesis, structures, and hydroamination catalysis.","Chemical communications (Cambridge, England)","2017","53","6","1060","1063","10.1039/c6cc08958e","","","0.71073","MoKα","","0.0898","0.0566","","","0.1343","0.1476","","","","","","0.906","","","","has coordinates","191473","2020-10-21","18:00:00",""
"7119283","16.7981","0.0017","18.7804","0.0019","19.323","0.002","82.107","0.009","81.378","0.009","68.045","0.008","5567.9","1","150","","150","","","","","","","","","6","P -1","-P 1","2","","","","- C116 H144 N10 O7 Si4 Sm2 -","- C116 H144 N10 O7 Si4 Sm2 -","- C232 H288 N20 O14 Si8 Sm4 -","2","1","","Kazeminejad, Neda; Munzel, Denise; Gamer, Michael T.; Roesky, Peter W.","Bis(amidinate) ligands in early lanthanide chemistry - synthesis, structures, and hydroamination catalysis.","Chemical communications (Cambridge, England)","2017","53","6","1060","1063","10.1039/c6cc08958e","","","0.71073","MoKα","","0.1025","0.0558","","","0.1305","0.1429","","","","","","0.841","","","","has coordinates,has disorder","191473","2020-10-21","18:00:00",""
"7119284","10.6838","0.0005","11.7958","0.0005","20.5532","0.0009","81.999","0.001","81.481","0.001","65.83","0.001","2328.18","0.18","100","2","100","2","","","","","","","","8","P -1","-P 1","2","","","","- C46 H29 B2 Cl2 F20 O3 P S -","- C46 H29 B2 Cl2 F20 O3 P S -","- C92 H58 B4 Cl4 F40 O6 P2 S2 -","2","1","","Ye, Ke-Yin; Bursch, Markus; Qu, Zheng-Wang; Daniliuc, Constantin G.; Grimme, Stefan; Kehr, Gerald; Erker, Gerhard","Reversible formylborane/SO2 coupling at a frustrated Lewis pair framework.","Chemical communications (Cambridge, England)","2017","53","3","633","635","10.1039/c6cc07071j","","","0.71073","MoKα","","0.0529","0.037","","","0.0842","0.0917","","","","","","1.02","","","","has coordinates","189796","2020-10-21","18:00:00",""
"7119285","19.6527","0.0003","18.1222","0.0003","23.6282","0.0004","90","","99.171","0.001","90","","8307.6","0.2","223","2","223","2","","","","","","","","7","C 1 2/c 1","-C 2yc","15","","","","- C43 H23 B2 F20 O3 P S -","- C43 H23 B2 F20 O3 P S -","- C344 H184 B16 F160 O24 P8 S8 -","8","1","","Ye, Ke-Yin; Bursch, Markus; Qu, Zheng-Wang; Daniliuc, Constantin G.; Grimme, Stefan; Kehr, Gerald; Erker, Gerhard","Reversible formylborane/SO2 coupling at a frustrated Lewis pair framework.","Chemical communications (Cambridge, England)","2017","53","3","633","635","10.1039/c6cc07071j","","","0.71073","MoKα","","0.0668","0.0495","","","0.1024","0.1096","","","","","","1.034","","","","has coordinates","189796","2020-10-21","18:00:00",""
"7119286","38.444","0.004","6.2239","0.0006","14.5234","0.0013","90","","96.834","0.003","90","","3450.3","0.6","293","2","293","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","4-((1-(2-Fluorophenyl)vinyl)oxy)-2-phenylquinazoline","","- C22 H15 F N2 O -","- C22 H15 F N2 O -","- C176 H120 F8 N16 O8 -","8","1","","Lingayya, Rajaka; Vellakkaran, Mari; Nagaiah, Kommu; Tadikamalla, Prabhakar Rao; Nanubolu, Jagadeesh Babu","Palladium(ii)-catalyzed direct O-alkenylation of 2-arylquinazolinones with N-tosylhydrazones: an efficient route to O-alkenylquinazolines.","Chemical communications (Cambridge, England)","2017","53","10","1672","1675","10.1039/c6cc09445g","","","0.71073","MoKα","","0.061","0.0443","","","0.1199","0.1325","","","","","","1.029","","","","has coordinates","191468","2020-10-21","18:00:00",""
"7119287","12.406","0.009","5.786","0.004","34.77","0.03","90","","90","","90","","2496","3","296","2","296","2","","","","","","","","4","P c a 21","P 2c -2ac","29","","","","- C12 H15 N5 O -","- C12 H15 N5 O -","- C96 H120 N40 O8 -","8","2","","Wu, Zhongkai; Xu, Pan; Zhou, Nengneng; Duan, Yingqian; Zhang, Muliang; Zhu, Chengjian","[3+2] Cycloaddition of azide with aldehyde hydrazone through an aminyl radical-polar crossover strategy.","Chemical communications (Cambridge, England)","2017","53","6","1045","1047","10.1039/c6cc08779e","","","0.71073","MoKα","","0.1124","0.0676","","","0.1544","0.1766","","","","","","1.026","","","","has coordinates","191476","2020-10-21","18:00:00",""
"7119288","9.7652","0.0002","25.1903","0.0006","13.2123","0.0004","90","","95.217","0.002","90","","3236.61","0.14","100","2","100","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C35 H41 Cu F6 N2 -","- C35 H41 Cu F6 N2 -","- C140 H164 Cu4 F24 N8 -","4","1","","Sakhaei, Zeinab; Kundu, Subrata; Donnelly, Jane M.; Bertke, Jeffery A.; Kim, William Y.; Warren, Timothy H.","Nitric oxide release via oxygen atom transfer from nitrite at copper(ii).","Chemical communications (Cambridge, England)","2017","53","3","549","552","10.1039/c6cc08745k","","","0.71073","MoKα","","0.0445","0.0302","","","0.069","0.075","","","","","","1.01","","","","has coordinates,has disorder","189799","2020-10-21","18:00:00",""
"7119289","24.3428","0.0007","16.7818","0.0005","23.2483","0.0007","90","","93.793","0.002","90","","9476.5","0.5","100","2","100","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C45 H71 Cu F6 N4 O2 -","- C45 H71 Cu F6 N4 O2 -","- C360 H568 Cu8 F48 N32 O16 -","8","2","","Sakhaei, Zeinab; Kundu, Subrata; Donnelly, Jane M.; Bertke, Jeffery A.; Kim, William Y.; Warren, Timothy H.","Nitric oxide release via oxygen atom transfer from nitrite at copper(ii).","Chemical communications (Cambridge, England)","2017","53","3","549","552","10.1039/c6cc08745k","","","0.71073","MoKα","","0.0676","0.0428","","","0.1034","0.1125","","","","","","1.044","","","","has coordinates,has disorder","189799","2020-10-21","18:00:00",""
"7119290","21.7216","0.0006","22.2834","0.0006","16.5124","0.0005","90","","103.473","0.002","90","","7772.6","0.4","100","2","100","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","[iPr2NNF6]Cu-O2N-Cu[iPr2NNF6]","","","- C58 H70 Cu2 F12 N5 O2 -","- C58 H70 Cu2 F12 N5 O2 -","- C232 H280 Cu8 F48 N20 O8 -","4","0.5","","Sakhaei, Zeinab; Kundu, Subrata; Donnelly, Jane M.; Bertke, Jeffery A.; Kim, William Y.; Warren, Timothy H.","Nitric oxide release via oxygen atom transfer from nitrite at copper(ii).","Chemical communications (Cambridge, England)","2017","53","3","549","552","10.1039/c6cc08745k","","","0.71073","MoKα","","0.0395","0.0324","","","0.0939","0.099","","","","","","1.036","","","","has coordinates,has disorder","189799","2020-10-21","18:00:00",""
"7119291","12.7356","0.0003","16.3289","0.0004","23.5452","0.0006","81.7","0.001","82.851","0.001","73.675","0.001","4631.6","0.2","103","2","103","2","","","","","","","","6","P -1","-P 1","2","","","","- C47 H50 Cu F6 N2 P -","- C47 H50 Cu F6 N2 P -","- C188 H200 Cu4 F24 N8 P4 -","4","2","","Sakhaei, Zeinab; Kundu, Subrata; Donnelly, Jane M.; Bertke, Jeffery A.; Kim, William Y.; Warren, Timothy H.","Nitric oxide release via oxygen atom transfer from nitrite at copper(ii).","Chemical communications (Cambridge, England)","2017","53","3","549","552","10.1039/c6cc08745k","","","0.71073","MoKα","","0.0453","0.0366","","","0.0921","0.098","","","","","","1.03","","","","has coordinates,has disorder","189799","2020-10-21","18:00:00",""
"7119292","28.6867","0.0015","15.4462","0.0008","37.041","0.003","90","","107.702","0.001","90","","15635.7","1.7","100","2","100","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","[iPr2NNF6]Cu-CNAr","","","- C83 H96 Cu2 F12 N6 -","- C83 H96 Cu2 F12 N6 -","- C664 H768 Cu16 F96 N48 -","8","1","","Sakhaei, Zeinab; Kundu, Subrata; Donnelly, Jane M.; Bertke, Jeffery A.; Kim, William Y.; Warren, Timothy H.","Nitric oxide release via oxygen atom transfer from nitrite at copper(ii).","Chemical communications (Cambridge, England)","2017","53","3","549","552","10.1039/c6cc08745k","","","0.71073","MoKα","","0.0436","0.0318","","","0.0744","0.0781","","","","","","1.033","","","","has coordinates,has disorder","189799","2020-10-21","18:00:00",""
"7119293","11.5964","0.0005","11.5964","0.0005","17.7913","0.0008","90","","90","","90","","2392.51","0.18","293","2","293","2","","","","","","","","4","P 41 21 2","P 4abw 2nw","92","","","","- C14 H9 F3 N2 -","- C14 H9 F3 N2 -","- C112 H72 F24 N16 -","8","1","","Gao, Guo-Lin; Yang, Chao; Xia, Wujiong","Selective C-H trifluoromethylation of benzimidazoles through photoredox catalysis.","Chemical communications (Cambridge, England)","2017","53","6","1041","1044","10.1039/c6cc08975e","","x-ray","0.71073","MoKα","","0.0832","0.0618","","","0.1667","0.1864","","","","","","1.084","","","","has coordinates","191477","2020-10-21","18:00:00",""
"7119294","12.8186","0.001","6.8399","0.0006","9.8413","0.0007","90","","90","","90","","862.86","0.12","293","2","293","2","","","","","","","","4","P n m a","-P 2ac 2n","62","","","","- C9 H7 F3 N2 -","- C9 H7 F3 N2 -","- C36 H28 F12 N8 -","4","0.5","","Gao, Guo-Lin; Yang, Chao; Xia, Wujiong","Selective C-H trifluoromethylation of benzimidazoles through photoredox catalysis.","Chemical communications (Cambridge, England)","2017","53","6","1041","1044","10.1039/c6cc08975e","","x-ray","0.71073","MoKα","","0.0728","0.0471","","","0.1138","0.1361","","","","","","1.045","","","","has coordinates,has disorder","191477","2020-10-21","18:00:00",""
"7119295","9.7224","0.0007","11.5982","0.0005","11.6209","0.0008","90","","92.78","0.006","90","","1308.86","0.14","293","2","293","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C15 H11 F3 N2 -","- C15 H11 F3 N2 -","- C60 H44 F12 N8 -","4","1","","Gao, Guo-Lin; Yang, Chao; Xia, Wujiong","Selective C-H trifluoromethylation of benzimidazoles through photoredox catalysis.","Chemical communications (Cambridge, England)","2017","53","6","1041","1044","10.1039/c6cc08975e","","x-ray","0.71073","MoKα","","0.1083","0.0558","","","0.1167","0.1442","","","","","","1.021","","","","has coordinates","191477","2020-10-21","18:00:00",""
"7119296","7.2208","0.0007","9.3833","0.0013","9.5826","0.0011","102.706","0.011","105.918","0.01","97.358","0.01","596.67","0.13","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C12 H11 F3 N2 O2 -","- C12 H11 F3 N2 O2 -","- C24 H22 F6 N4 O4 -","2","1","","Gao, Guo-Lin; Yang, Chao; Xia, Wujiong","Selective C-H trifluoromethylation of benzimidazoles through photoredox catalysis.","Chemical communications (Cambridge, England)","2017","53","6","1041","1044","10.1039/c6cc08975e","","x-ray","0.71073","MoKα","","0.0723","0.0553","","","0.1419","0.159","","","","","","1.037","","","","has coordinates","191477","2020-10-21","18:00:00",""
"7119297","8.4372","0.0005","13.0507","0.0008","13.307","0.0008","69.771","0.003","85.531","0.003","81.999","0.003","1360.79","0.14","100","2","100","2","","","","","","","","8","P -1","-P 1","2","","Compound1","","- C19 H20 Cl2 F6 Ge N4 O6 S2 -","- C19 H20 Cl2 F6 Ge N4 O6 S2 -","- C38 H40 Cl4 F12 Ge2 N8 O12 S4 -","2","1","","Raut, Ravindra K.; Majumdar, Moumita","Direct coordination of a germanium(ii) dicationic center to transition metals.","Chemical communications (Cambridge, England)","2017","53","9","1467","1469","10.1039/c6cc09525a","","","1.54178","CuKα","","0.0832","0.0613","","","0.1298","0.1417","","","","","","1.092","","","","has coordinates","191498","2020-10-21","18:00:00",""
"7119298","20.5748","0.001","13.4785","0.0007","14.7382","0.0008","90","","99.802","0.003","90","","4027.5","0.4","100","2","100","2","","","","","","","","8","P 1 21/c 1","-P 2ybc","14","","","","- C17 H18 Cl F3 Ge N4 O3 S -","- C17 H18 Cl F3 Ge N4 O3 S -","- C136 H144 Cl8 F24 Ge8 N32 O24 S8 -","8","2","","Raut, Ravindra K.; Majumdar, Moumita","Direct coordination of a germanium(ii) dicationic center to transition metals.","Chemical communications (Cambridge, England)","2017","53","9","1467","1469","10.1039/c6cc09525a","","","1.54178","CuKα","","0.1342","0.0772","","","0.1397","0.1635","","","","","","1.079","","","","has coordinates","191498","2020-10-21","18:00:00",""
"7119299","12.421","0.003","12.98","0.003","17.648","0.004","85.383","0.005","72.526","0.005","75.017","0.005","2621.7","1.1","100","2","100","2","","","","","","","","8","P -1","-P 1","2","","Compound3","","- C37 H36 Au F15 Ge2 N8 O15 S5 -","- C37 H36 Au F15 Ge2 N8 O15 S5 -","- C74 H72 Au2 F30 Ge4 N16 O30 S10 -","2","1","","Raut, Ravindra K.; Majumdar, Moumita","Direct coordination of a germanium(ii) dicationic center to transition metals.","Chemical communications (Cambridge, England)","2017","53","9","1467","1469","10.1039/c6cc09525a","","","1.54178","CuKα","","0.0369","0.0364","","","0.0965","0.097","","","","","","1.095","","","","has coordinates","191498","2020-10-21","18:00:00",""
"7119300","8.872","0.003","10.214","0.004","12.585","0.005","90.296","0.007","93.135","0.008","107.603","0.007","1085.1","0.7","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","","","- C16 H18 Cl4 Ge2 N4 -","- C16 H18 Cl4 Ge2 N4 -","- C32 H36 Cl8 Ge4 N8 -","2","1","","Raut, Ravindra K.; Majumdar, Moumita","Direct coordination of a germanium(ii) dicationic center to transition metals.","Chemical communications (Cambridge, England)","2017","53","9","1467","1469","10.1039/c6cc09525a","","","0.71073","MoKα","","0.0476","0.034","","","0.0884","0.0949","","","","","","1.097","","","","has coordinates","191498","2020-10-21","18:00:00",""
"7119301","14.699","0.002","15.176","0.003","15.433","0.003","112.989","0.006","103.063","0.006","106.078","0.006","2819.6","0.9","100","2","100","2","","","","","","","","8","P -1","-P 1","2","","Compound2","","- C39 H39 Ag F15 Ge2 N9 O15 S5 -","- C39 H39 Ag F15 Ge2 N9 O15 S5 -","- C78 H78 Ag2 F30 Ge4 N18 O30 S10 -","2","1","","Raut, Ravindra K.; Majumdar, Moumita","Direct coordination of a germanium(ii) dicationic center to transition metals.","Chemical communications (Cambridge, England)","2017","53","9","1467","1469","10.1039/c6cc09525a","","","1.54178","CuKα","","0.066","0.0571","","","0.136","0.1417","","","","","","1.031","","","","has coordinates","191498","2020-10-21","18:00:00",""
"7119302","11.3812","0.0009","9.024","0.0007","23.553","0.002","90","","100.181","0.003","90","","2380.9","0.3","173","2","173","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C32 H22 O2 S -","- C32 H22 O2 S -","- C128 H88 O8 S4 -","4","1","","Guo, Jingjing; Hu, Shimin; Luo, Wenwen; Hu, Rongrong; Qin, Anjun; Zhao, Zujin; Tang, Ben Zhong","A novel aggregation-induced emission platform from 2,3-diphenylbenzo[b]thiophene S,S-dioxide.","Chemical communications (Cambridge, England)","2017","53","9","1463","1466","10.1039/c6cc09892d","","","0.71073","MoKα","","0.0964","0.0476","","","0.0896","0.1039","","","","","","1.041","","","","has coordinates","191500","2020-10-21","18:00:00",""
"7119303","10.3524","0.0005","10.3346","0.0006","15.3392","0.0009","90","","92.291","0.002","90","","1639.8","0.16","173","2","173","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C20 H12 F2 O2 S -","- C20 H12 F2 O2 S -","- C80 H48 F8 O8 S4 -","4","1","","Guo, Jingjing; Hu, Shimin; Luo, Wenwen; Hu, Rongrong; Qin, Anjun; Zhao, Zujin; Tang, Ben Zhong","A novel aggregation-induced emission platform from 2,3-diphenylbenzo[b]thiophene S,S-dioxide.","Chemical communications (Cambridge, England)","2017","53","9","1463","1466","10.1039/c6cc09892d","","","0.71073","MoKα","","0.0589","0.0417","","","0.1086","0.1213","","","","","","1.066","","","","has coordinates","191500","2020-10-21","18:00:00",""
"7119304","9.6225","0.0009","10.5635","0.0009","10.9316","0.0009","63.981","0.002","64.608","0.003","78.743","0.003","902.05","0.14","172","2","172","2","","","","","","","","4","P -1","-P 1","2","","","","- C22 H18 O4 S -","- C22 H18 O4 S -","- C44 H36 O8 S2 -","2","1","","Guo, Jingjing; Hu, Shimin; Luo, Wenwen; Hu, Rongrong; Qin, Anjun; Zhao, Zujin; Tang, Ben Zhong","A novel aggregation-induced emission platform from 2,3-diphenylbenzo[b]thiophene S,S-dioxide.","Chemical communications (Cambridge, England)","2017","53","9","1463","1466","10.1039/c6cc09892d","","","0.71073","MoKα","","0.1146","0.0574","","","0.0892","0.1054","","","","","","1.012","","","","has coordinates","191500","2020-10-21","18:00:00",""
"7119305","9.9496","0.0011","12.5896","0.0012","14.3507","0.0013","90","","99.202","0.004","90","","1774.5","0.3","173","2","173","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C22 H18 O2 S -","- C22 H18 O2 S -","- C88 H72 O8 S4 -","4","1","","Guo, Jingjing; Hu, Shimin; Luo, Wenwen; Hu, Rongrong; Qin, Anjun; Zhao, Zujin; Tang, Ben Zhong","A novel aggregation-induced emission platform from 2,3-diphenylbenzo[b]thiophene S,S-dioxide.","Chemical communications (Cambridge, England)","2017","53","9","1463","1466","10.1039/c6cc09892d","","","0.71073","MoKα","","0.0895","0.0462","","","0.0858","0.098","","","","","","1.024","","","","has coordinates,has disorder","191500","2020-10-21","18:00:00",""
"7119306","8.7763","0.0009","18.341","0.002","19.844","0.002","90","","100.092","0.004","90","","3144.8","0.6","172","2","172","2","","","","","","","","4","C 1 c 1","C -2yc","9","","","","- C20 H14 O2 S -","- C20 H14 O2 S -","- C160 H112 O16 S8 -","8","2","","Guo, Jingjing; Hu, Shimin; Luo, Wenwen; Hu, Rongrong; Qin, Anjun; Zhao, Zujin; Tang, Ben Zhong","A novel aggregation-induced emission platform from 2,3-diphenylbenzo[b]thiophene S,S-dioxide.","Chemical communications (Cambridge, England)","2017","53","9","1463","1466","10.1039/c6cc09892d","","","0.71073","MoKα","","0.0842","0.0469","","","0.0747","0.0861","","","","","","1.007","","","","has coordinates","191500","2020-10-21","18:00:00",""
"7119307","10.134","0.0005","10.9037","0.0006","17.706","0.0009","90.049","0.002","92.799","0.002","114.437","0.002","1778.61","0.16","173","2","173","2","","","","","","","","4","P -1","-P 1","2","","","","- C22 H18 O2 S -","- C22 H18 O2 S -","- C88 H72 O8 S4 -","4","2","","Guo, Jingjing; Hu, Shimin; Luo, Wenwen; Hu, Rongrong; Qin, Anjun; Zhao, Zujin; Tang, Ben Zhong","A novel aggregation-induced emission platform from 2,3-diphenylbenzo[b]thiophene S,S-dioxide.","Chemical communications (Cambridge, England)","2017","53","9","1463","1466","10.1039/c6cc09892d","","","0.71073","MoKα","","0.1079","0.0549","","","0.1026","0.1215","","","","","","1.058","","","","has coordinates","191500","2020-10-21","18:00:00",""
"7119308","7.5333","0.0004","10.9876","0.0007","11.6354","0.0008","91.853","0.003","90.826","0.002","95.099","0.002","958.64","0.1","174","2","174","2","","","","","","","","5","P -1","-P 1","2","","","","- C22 H12 F6 O2 S -","- C22 H12 F6 O2 S -","- C44 H24 F12 O4 S2 -","2","1","","Guo, Jingjing; Hu, Shimin; Luo, Wenwen; Hu, Rongrong; Qin, Anjun; Zhao, Zujin; Tang, Ben Zhong","A novel aggregation-induced emission platform from 2,3-diphenylbenzo[b]thiophene S,S-dioxide.","Chemical communications (Cambridge, England)","2017","53","9","1463","1466","10.1039/c6cc09892d","","","0.71073","MoKα","","0.0953","0.0527","","","0.0864","0.0994","","","","","","1.04","","","","has coordinates,has disorder","191500","2020-10-21","18:00:00",""
"7119309","16.9872","0.0011","11.0288","0.0009","12.9726","0.0011","90","","101.237","0.002","90","","2383.8","0.3","173","2","173","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C28 H30 O2 S -","- C28 H30 O2 S -","- C112 H120 O8 S4 -","4","1","","Guo, Jingjing; Hu, Shimin; Luo, Wenwen; Hu, Rongrong; Qin, Anjun; Zhao, Zujin; Tang, Ben Zhong","A novel aggregation-induced emission platform from 2,3-diphenylbenzo[b]thiophene S,S-dioxide.","Chemical communications (Cambridge, England)","2017","53","9","1463","1466","10.1039/c6cc09892d","","","0.71073","MoKα","","0.1276","0.0658","","","0.1114","0.1322","","","","","","1.061","","","","has coordinates","191500","2020-10-21","18:00:00",""
"7119310","16.136","0.003","13.126","0.003","34.238","0.007","90","","90.19","0.03","90","","7252","3","113.15","","113.15","","","","","","","","","7","P 1 2/c 1","-P 2yc","13","","","","- C102 H98 Cd3 Cl6 K2 N36 O12 -","- C102 H98 Cd3 Cl6 K2 N36 O12 -","- C204 H196 Cd6 Cl12 K4 N72 O24 -","2","0.5","","Wang, Ying; Jia, Wei; Chen, Ran; Zhao, Xiao-Jun; Wang, Zhong-Liang","Guest-induced SC-SC transformation within the first K/Cd heterodimetallic triazole complex: a luminescent sensor for high-explosives and cyano molecules.","Chemical communications (Cambridge, England)","2017","53","3","636","639","10.1039/c6cc09566f","","","0.71073","MoKα","","0.1203","0.1023","","","0.2732","0.2903","","","","","","1.031","","","","has coordinates,has disorder","189804","2020-10-21","18:00:00",""
"7119311","12.1538","0.0009","12.1574","0.001","16.1536","0.0014","77.045","0.007","82.55","0.007","83.527","0.007","2297.8","0.3","131.75","0.1","131.75","0.1","","","","","","","","5","P -1","-P 1","2","","","","- C43 H45 Cd N15 O8 -","- C43 H45 Cd N15 O8 -","- C86 H90 Cd2 N30 O16 -","2","1","","Wang, Ying; Jia, Wei; Chen, Ran; Zhao, Xiao-Jun; Wang, Zhong-Liang","Guest-induced SC-SC transformation within the first K/Cd heterodimetallic triazole complex: a luminescent sensor for high-explosives and cyano molecules.","Chemical communications (Cambridge, England)","2017","53","3","636","639","10.1039/c6cc09566f","","","0.71073","MoKα","","0.0573","0.0432","","","0.1","0.1113","","","","","","1.036","","","","has coordinates","189804","2020-10-21","18:00:00",""
"7119312","20.477","0.004","23.839","0.005","17.521","0.004","90","","111.11","0.03","90","","7979","3","113.15","","113.15","","","","","","","","","5","C 1 2 1","C 2y","5","","","","- C244 H171 Cd8 N88 O28 -","- C244 H171 Cd8 N88 O28 -","- C244 H171 Cd8 N88 O28 -","1","0.25","","Wang, Ying; Jia, Wei; Chen, Ran; Zhao, Xiao-Jun; Wang, Zhong-Liang","Guest-induced SC-SC transformation within the first K/Cd heterodimetallic triazole complex: a luminescent sensor for high-explosives and cyano molecules.","Chemical communications (Cambridge, England)","2017","53","3","636","639","10.1039/c6cc09566f","","","0.71073","MoKα","","0.1166","0.1001","","","0.2656","0.2835","","","","","","1.018","","","","has coordinates,has disorder","189804","2020-10-21","18:00:00",""
"7119313","6.7936","0.0007","24.851","0.003","17.591","0.002","90","","90.105","0.004","90","","2969.8","0.6","140","2","140","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C20 H15 F27 O4 S -","- C20 H15 F27 O4 S -","- C80 H60 F108 O16 S4 -","4","1","","Dichiarante, V.; Tirotta, I.; Catalano, L.; Terraneo, G.; Raffaini, G.; Chierotti, M. R.; Gobetto, R.; Baldelli Bombelli, F.; Metrangolo, P.","Superfluorinated and NIR-luminescent gold nanoclusters.","Chemical communications (Cambridge, England)","2017","53","3","621","624","10.1039/c6cc09324h","","","0.71073","MoKα","","0.0533","0.0403","","","0.0974","0.1048","","","","","","1.014","","","","has coordinates,has disorder","189805","2020-10-21","18:00:00",""
"7119314","8.5653","0.0013","10.5123","0.0016","17.819","0.003","90","","94.319","0.003","90","","1599.9","0.4","293","2","293","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C16 H16 F3 N O2 S -","- C16 H16 F3 N O2 S -","- C64 H64 F12 N4 O8 S4 -","4","1","","Dong, Jinhuan; Xin, Shuang; Wang, Yanqing; Pan, Ling; Liu, Qun","In situ generation and reactions of p-(trifluoromethyl)benzyl electrophiles: an efficient access to p-(trifluoromethyl)benzyl compounds.","Chemical communications (Cambridge, England)","2017","53","10","1668","1671","10.1039/c6cc09268c","","","0.71073","MoKα","","0.0844","0.0632","","","0.1618","0.18","","","","","","1.007","","","","has coordinates","191464","2020-10-21","18:00:00",""
"7119315","6.156","0.002","23.845","0.01","12.467","0.005","90","","100.295","0.007","90","","1800.6","1.2","296","2","296","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C38 H44 N2 O6 -","- C38 H44 N2 O6 -","- C76 H88 N4 O12 -","2","0.5","","Hu, Wenbo; He, Tingchao; Jiang, Rongcui; Yin, Jun; Li, Lin; Lu, Xiaomei; Zhao, Hui; Zhang, Lei; Huang, Ling; Sun, Handong; Huang, Wei; Fan, Quli","Inner salt-shaped small molecular photosensitizer with extremely enhanced two-photon absorption for mitochondrial-targeted photodynamic therapy.","Chemical communications (Cambridge, England)","2017","53","10","1680","1683","10.1039/c6cc09473b","","","0.71073","MoKα","","0.1432","0.0921","","","0.1753","0.1948","","","","","","1.162","","","","has coordinates","191465","2020-10-21","18:00:00",""
"7119316","31.2361","0.0008","31.2361","0.0008","8.08","0.0003","90","","90","","90","","7883.6","0.4","296","2","296","2","","","","","","","","4","P 4/n :2","-P 4a","85","","","","- C36 H40 N2 O6 -","- C36 H40 N2 O6 -","- C288 H320 N16 O48 -","8","1","","Hu, Wenbo; He, Tingchao; Jiang, Rongcui; Yin, Jun; Li, Lin; Lu, Xiaomei; Zhao, Hui; Zhang, Lei; Huang, Ling; Sun, Handong; Huang, Wei; Fan, Quli","Inner salt-shaped small molecular photosensitizer with extremely enhanced two-photon absorption for mitochondrial-targeted photodynamic therapy.","Chemical communications (Cambridge, England)","2017","53","10","1680","1683","10.1039/c6cc09473b","","","1.54178","CuKα","","0.1609","0.1132","","","0.2433","0.2659","","","","","","1.192","","","","has coordinates","191465","2020-10-21","18:00:00",""
"7119317","7.2657","0.0002","15.2058","0.0005","19.3128","0.0008","110.971","0.003","99.332","0.003","95.705","0.002","1937.08","0.13","173","0.1","173","0.1","","","","","","","","5","P -1","-P 1","2","","41b","","- C25 H19 F N2 O -","- C25 H19 F N2 O -","- C100 H76 F4 N8 O4 -","4","2","","Yang, Xinglin; Shan, Gang; Yang, Zimo; Huang, Guiyi; Dong, Guoqiang; Sheng, Chunquan; Rao, Yu","One-pot synthesis of quaternary carbon centered cyclobutanes via Pd(ii)-catalyzed cascade C(sp(3))-H activations.","Chemical communications (Cambridge, England)","2017","53","9","1534","1537","10.1039/c6cc06897a","","","1.54178","CuKα","","0.0691","0.0627","","","0.1395","0.1424","","","","","","1.056","","","","has coordinates","191494","2020-10-21","18:00:00",""
"7119318","9.4896","0.0012","14.7995","0.0018","12.088","0.002","90","","91","0.011","90","","1697.4","0.4","180","2","180","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","4","","- C21 H19 F N2 O -","- C21 H19 F N2 O -","- C84 H76 F4 N8 O4 -","4","1","","Yang, Xinglin; Shan, Gang; Yang, Zimo; Huang, Guiyi; Dong, Guoqiang; Sheng, Chunquan; Rao, Yu","One-pot synthesis of quaternary carbon centered cyclobutanes via Pd(ii)-catalyzed cascade C(sp(3))-H activations.","Chemical communications (Cambridge, England)","2017","53","9","1534","1537","10.1039/c6cc06897a","","","0.71073","MoKα","","0.0654","0.0428","","","0.0982","0.1124","","","","","","1.046","","","","has coordinates","191494","2020-10-21","18:00:00",""
"7119319","10.542","0.002","12.791","0.003","15.052","0.003","97.91","0.03","98.81","0.03","96.16","0.03","1969.5","0.8","77","1","77","1","","","","","","","","4","P 1","P 1","1","cocrystal 3(HBT)","[tris(S,S-dioxides)-trithiasumanene)](1,2,6,7,11,12-hexabutoxytriphenylene)","","- C84 H114 O18 S3 -","- C84 H114 O18 S3 -","- C84 H114 O18 S3 -","1","1","","Hou, Xueqing; Zhu, Yongtao; Qin, Yunke; Chen, Lichuan; Li, Xuexiang; Zhang, Hao-Li; Xu, Wei; Zhu, Daoben; Shao, Xiangfeng","Tris(S,S-dioxide)-trithiasumanene: strong fluorescence and cocrystal with 1,2,6,7,10,11-hexabutoxytriphenylene.","Chemical communications (Cambridge, England)","2017","53","9","1546","1549","10.1039/c6cc09531c","","","0.95382","Synchrotron","","0.0794","0.0793","","","0.1831","0.1834","","","","","","1.171","","","","has coordinates","191499","2020-10-21","18:00:00",""
"7119320","41.379","0.008","6.0824","0.0012","20.059","0.004","90","","106.27","0.03","90","","4846.3","1.8","296","2","296","2","","","","","","","","3","C 1 2/c 1","-C 2yc","15","","","","- C62 H54 S2 -","- C62 H54 S2 -","- C248 H216 S8 -","4","0.5","","Wu, Hongzhuo; Fang, Renren; Tao, Jingwei; Wang, Deliang; Qiao, Xiaolan; Yang, Xiaodi; Hartl, František; Li, Hongxiang","Diacenaphthylene-fused benzo[1,2-b:4,5-b']dithiophenes: polycyclic heteroacenes containing full-carbon five-membered aromatic rings.","Chemical communications (Cambridge, England)","2017","53","4","751","754","10.1039/c6cc09184a","","","0.71073","MoKα","","0.0673","0.0492","","","0.1345","0.1505","","","","","","1.033","","","","has coordinates,has disorder","189920","2020-10-21","18:00:00",""
"7119321","13.094","0.0007","14.5388","0.0008","20.6868","0.0012","76.383","0.002","82.589","0.001","80.352","0.002","3756.8","0.4","296","2","296","2","","","","","","","","4","P -1","-P 1","2","","","","- C46 H46 O2 S2 -","- C46 H46 O2 S2 -","- C184 H184 O8 S8 -","4","2","","Wu, Hongzhuo; Fang, Renren; Tao, Jingwei; Wang, Deliang; Qiao, Xiaolan; Yang, Xiaodi; Hartl, František; Li, Hongxiang","Diacenaphthylene-fused benzo[1,2-b:4,5-b']dithiophenes: polycyclic heteroacenes containing full-carbon five-membered aromatic rings.","Chemical communications (Cambridge, England)","2017","53","4","751","754","10.1039/c6cc09184a","","","0.71073","MoKα","","0.166","0.0713","","","0.1635","0.2127","","","","","","0.998","","","","has coordinates","189920","2020-10-21","18:00:00",""
"7119322","15.601","0.002","13.4615","0.0018","7.0024","0.001","90","","90","","90","","1470.6","0.3","293","2","293","2","","","","","","","","6","P c a 21","P 2c -2ac","29","BS-3-93B","BS-3-93B","","- C15 H14 Cl N O2 S -","- C15 H14 Cl N O2 S -","- C60 H56 Cl4 N4 O8 S4 -","4","1","","Song, Bo; Yu, Chang-Bin; Ji, Yue; Chen, Mu-Wang; Zhou, Yong-Gui","Synthesis of chiral sultams via palladium-catalyzed intramolecular asymmetric reductive amination.","Chemical communications (Cambridge, England)","2017","53","10","1704","1707","10.1039/c6cc09493g","","","0.71073","MoKα","","0.0576","0.045","","","0.0973","0.1032","","","","","","1.044","","","","has coordinates","191462","2020-10-21","18:00:00",""
"7119323","10.1064","0.001","12.4748","0.0012","21.895","0.002","90","","90","","90","","2760.4","0.5","293","2","293","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C14 H19 N O2 S -","- C14 H19 N O2 S -","- C112 H152 N8 O16 S8 -","8","2","","Song, Bo; Yu, Chang-Bin; Ji, Yue; Chen, Mu-Wang; Zhou, Yong-Gui","Synthesis of chiral sultams via palladium-catalyzed intramolecular asymmetric reductive amination.","Chemical communications (Cambridge, England)","2017","53","10","1704","1707","10.1039/c6cc09493g","","","0.71073","MoKα","","0.0587","0.0451","","","0.1001","0.107","","","","","","1.046","","","","has coordinates","203412","2020-10-21","18:00:00",""
"7119324","9.98192","0.00009","9.98192","0.00009","11.95006","0.00008","90","","90","","120","","1031.17","0.015","150","","150","","","","","","","","","3","P 32","P 32","145","","","","- C21 H12 O2 -","- C21 H12 O2 -","- C63 H36 O6 -","3","1","","Ngamsomprasert, Niti; Dang, Jing-Shuang; Higashibayashi, Shuhei; Yakiyama, Yumi; Sakurai, Hidehiro","Sumanene derivatives functionalized at the internal carbon.","Chemical communications (Cambridge, England)","2017","53","4","697","700","10.1039/c6cc08970d","","","1.54184","CuKα","","0.042","0.0407","","","0.1253","0.1264","","","","","","1.114","","","","has coordinates","189922","2020-10-21","18:00:00",""
"7119325","9.98291","0.00007","9.98291","0.00007","11.95223","0.00009","90","","90","","120","","1031.56","0.013","150","","150","","","","","","","","","3","P 31","P 31","144","","","","- C21 H12 O2 -","- C21 H12 O2 -","- C63 H36 O6 -","3","1","","Ngamsomprasert, Niti; Dang, Jing-Shuang; Higashibayashi, Shuhei; Yakiyama, Yumi; Sakurai, Hidehiro","Sumanene derivatives functionalized at the internal carbon.","Chemical communications (Cambridge, England)","2017","53","4","697","700","10.1039/c6cc08970d","","","1.54184","CuKα","","0.0332","0.033","","","0.1092","0.1095","","","","","","1.063","","","","has coordinates","189922","2020-10-21","18:00:00",""
"7119326","22.4106","0.0009","23.6354","0.0009","15.2117","0.0006","90","","126.403","0.002","90","","6485.1","0.5","296","2","296","2","","","","","","","","7","C 1 2/c 1","-C 2yc","15","","","","- C53 H32 F6 N6 O8 S2 Zn2 -","- C53 H32 F6 N6 O8 S2 Zn2 -","- C212 H128 F24 N24 O32 S8 Zn8 -","4","0.5","","Fan, Cong Bin; Liu, Zhi Qiang; Gong, Le Le; Zheng, An Min; Zhang, Le; Yan, Chang Sheng; Wu, Hui Qiong; Feng, Xue Feng; Luo, Feng","Photoswitching adsorption selectivity in a diarylethene-azobenzene MOF.","Chemical communications (Cambridge, England)","2017","53","4","763","766","10.1039/c6cc08982h","","","0.71073","MoKα","","0.0444","0.0398","","","0.1239","0.1262","","","","","","1.141","","","","has coordinates","189923","2020-10-21","18:00:00",""
"7119327","9.793","0.0007","9.5921","0.0006","15.8816","0.0011","90","","98.943","0.003","90","","1473.71","0.17","103","2","103","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C18 H16 F N O -","- C18 H16 F N O -","- C72 H64 F4 N4 O4 -","4","1","","Lonca, Geoffroy Hervé; Tejo, Ciputra; Chan, Hui Ling; Chiba, Shunsuke; Gagosz, Fabien","Gold(i)-catalyzed 6-endo-dig azide-yne cyclization: efficient access to 2H-1,3-oxazines.","Chemical communications (Cambridge, England)","2017","53","4","736","739","10.1039/c6cc08397h","","","0.71073","MoKα","","0.0954","0.0648","","","0.1491","0.1695","","","","","","1.023","","","","has coordinates","189924","2020-10-21","18:00:00",""
"7119328","9.5444","0.0005","10.0871","0.0006","15.2076","0.0011","90","","90","","90","","1464.12","0.16","296","2","296","2","","","","","","","","6","P c a 21","P 2c -2ac","29","","","","- C17 H13 Br F N O -","- C17 H13 Br F N O -","- C68 H52 Br4 F4 N4 O4 -","4","1","","Lonca, Geoffroy Hervé; Tejo, Ciputra; Chan, Hui Ling; Chiba, Shunsuke; Gagosz, Fabien","Gold(i)-catalyzed 6-endo-dig azide-yne cyclization: efficient access to 2H-1,3-oxazines.","Chemical communications (Cambridge, England)","2017","53","4","736","739","10.1039/c6cc08397h","","","0.71073","MoKα","","0.0636","0.0351","","","0.0657","0.075","","","","","","1.021","","","","has coordinates","189924","2020-10-21","18:00:00",""
"7119329","11.855","0.003","16.44","0.005","15.069","0.004","90","","91.469","0.007","90","","2935.9","1.4","103","2","103","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C17 H13 Br F N O -","- C17 H13 Br F N O -","- C136 H104 Br8 F8 N8 O8 -","8","2","","Lonca, Geoffroy Hervé; Tejo, Ciputra; Chan, Hui Ling; Chiba, Shunsuke; Gagosz, Fabien","Gold(i)-catalyzed 6-endo-dig azide-yne cyclization: efficient access to 2H-1,3-oxazines.","Chemical communications (Cambridge, England)","2017","53","4","736","739","10.1039/c6cc08397h","","","0.71073","MoKα","","0.1304","0.0787","","","0.1877","0.215","","","","","","1.08","","","","has coordinates","189924","2020-10-21","18:00:00",""
"7119330","12.1739","0.0003","11.0034","0.0003","9.8232","0.0003","90","","90.269","0.002","90","","1315.85","0.06","103","2","103","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C16 H12 F N O2 -","- C16 H12 F N O2 -","- C64 H48 F4 N4 O8 -","4","1","","Lonca, Geoffroy Hervé; Tejo, Ciputra; Chan, Hui Ling; Chiba, Shunsuke; Gagosz, Fabien","Gold(i)-catalyzed 6-endo-dig azide-yne cyclization: efficient access to 2H-1,3-oxazines.","Chemical communications (Cambridge, England)","2017","53","4","736","739","10.1039/c6cc08397h","","","1.54178","CuKα","","0.0622","0.0565","","","0.1431","0.1508","","","","","","1.093","","","","has coordinates","189924","2020-10-21","18:00:00",""
"7119331","15.2794","0.0004","9.0171","0.0002","13.5025","0.0004","90","","111.891","0.001","90","","1726.18","0.08","110","2","110","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","Oxo-BODIPY","Zwitterionic Oxo-BODIPY","","- C18 H13 B F7 N3 O -","- C18 H13 B F7 N3 O -","- C72 H52 B4 F28 N12 O4 -","4","1","","Sekhar, Adiki Raja; Sariki, Santhosh Kumar; Reddy, R. V. Ramana; Bisai, Alakesh; Sahu, Pushpendra Kumar; Tomar, Raghuvir S.; Sankar, Jeyaraman","Zwitterionic BODIPYs with large stokes shift: small molecular biomarkers for live cells.","Chemical communications (Cambridge, England)","2017","53","6","1096","1099","10.1039/c6cc09325f","","","0.71073","MoKα","","0.0483","0.0373","","","0.099","0.1079","","","","","","1.051","","","","has coordinates","191474","2020-10-21","18:00:00",""
"7119332","15.712","0.005","9.184","0.003","13.544","0.004","90","","111.297","0.008","90","","1820.9","1","296","2","296","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","Imino-BODIPY","Zwitterionic Imino-BODIPY","","- C19 H16 B F7 N4 -","- C19 H16 B F7 N4 -","- C76 H64 B4 F28 N16 -","4","1","","Sekhar, Adiki Raja; Sariki, Santhosh Kumar; Reddy, R. V. Ramana; Bisai, Alakesh; Sahu, Pushpendra Kumar; Tomar, Raghuvir S.; Sankar, Jeyaraman","Zwitterionic BODIPYs with large stokes shift: small molecular biomarkers for live cells.","Chemical communications (Cambridge, England)","2017","53","6","1096","1099","10.1039/c6cc09325f","","","0.71073","MoKα","","0.2394","0.0645","","","0.1269","0.1699","","","","","","0.959","","","","has coordinates","191474","2020-10-21","18:00:00",""
"7119333","11.41025","0.00011","13.66762","0.00012","23.3661","0.0003","90","","100.054","0.001","90","","3588.01","0.07","150.01","0.1","150.01","0.1","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C35 H53 Br O2 P2 W -","- C35 H53 Br O2 P2 W -","- C140 H212 Br4 O8 P8 W4 -","4","1","","Hill, Anthony F.; Kong, Richard Y.","High oxidation state bromocarbyne complexes.","Chemical communications (Cambridge, England)","2017","53","4","759","762","10.1039/c6cc08946a","","x-ray","1.54184","CuKα","","0.0343","0.0339","","","0.0908","0.0914","","","","","","1.085","","","","has coordinates","189926","2020-10-21","18:00:00",""
"7119334","11.714","0.0004","15.844","0.0003","20.4006","0.0004","81.812","0.0017","88.384","0.002","84.131","0.002","3727.68","0.16","150.01","0.1","150.01","0.1","","","","","","","","5","P -1","-P 1","2","","","","- C66 H106 Br6 P4 W2 -","- C66 H106 Br6 P4 W2 -","- C132 H212 Br12 P8 W4 -","2","1","","Hill, Anthony F.; Kong, Richard Y.","High oxidation state bromocarbyne complexes.","Chemical communications (Cambridge, England)","2017","53","4","759","762","10.1039/c6cc08946a","","x-ray","1.54184","CuKα","","0.0446","0.0378","","","0.0968","0.1018","","","","","","1.055","","","","has coordinates,has disorder","189926","2020-10-21","18:00:00",""
"7119335","18.5723","0.0003","15.8298","0.0003","25.1171","0.0006","90","","100.001","0.002","90","","7272.1","0.3","150","","150","","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C56 H98 Br8 Cl4 P4 W2 -","- C56 H97.469 Br8 Cl4 P4 W2 -","- C224 H389.876 Br32 Cl16 P16 W8 -","4","1","","Hill, Anthony F.; Kong, Richard Y.","High oxidation state bromocarbyne complexes.","Chemical communications (Cambridge, England)","2017","53","4","759","762","10.1039/c6cc08946a","","x-ray","0.71073","MoKα","","0.0592","0.0411","","","0.0678","0.0721","","","","","","1.098","","","","has coordinates,has disorder","189926","2020-10-21","18:00:00",""
"7119336","10.7913","0.0016","23.085","0.004","9.7956","0.0012","90","","98.37","0.014","90","","2414.3","0.6","93","2","93","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C16.5 H11 N3 Ni0.5 -","- C16.5 H11 N3 Ni0.5 -","- C132 H88 N24 Ni4 -","8","1","","Yoshida, Takuya; Sakamaki, Daisuke; Seki, Shu; Shinokubo, Hiroshi","Enhancing the low-energy absorption band and charge mobility of antiaromatic Ni(II) norcorroles by their substituent effects.","Chemical communications (Cambridge, England)","2017","53","6","1112","1115","10.1039/c6cc09444a","","","0.71073","MoKα","","0.1041","0.0902","","","0.2609","0.2814","","","","","","1.07","","","","has coordinates","191478","2020-10-21","18:00:00",""
"7119337","14.9222","0.001","10.1071","0.0007","16.9856","0.0011","90","","111.902","0.002","90","","2376.9","0.3","93","2","93","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C32 H23 N5 Ni -","- C32 H23 N5 Ni -","- C128 H92 N20 Ni4 -","4","1","","Yoshida, Takuya; Sakamaki, Daisuke; Seki, Shu; Shinokubo, Hiroshi","Enhancing the low-energy absorption band and charge mobility of antiaromatic Ni(II) norcorroles by their substituent effects.","Chemical communications (Cambridge, England)","2017","53","6","1112","1115","10.1039/c6cc09444a","","","0.71073","MoKα","","0.0351","0.0301","","","0.0784","0.0819","","","","","","1.092","","","","has coordinates","191478","2020-10-21","18:00:00",""
"7119338","16.003","0.002","10.6329","0.0014","17.07","0.002","90","","100.125","0.004","90","","2859.4","0.6","93","2","93","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C32 H18 Cl2 F5 N5 Ni -","- C33 H20 Cl2 F5 N5 Ni -","- C132 H80 Cl8 F20 N20 Ni4 -","4","1","","Yoshida, Takuya; Sakamaki, Daisuke; Seki, Shu; Shinokubo, Hiroshi","Enhancing the low-energy absorption band and charge mobility of antiaromatic Ni(II) norcorroles by their substituent effects.","Chemical communications (Cambridge, England)","2017","53","6","1112","1115","10.1039/c6cc09444a","","","0.71073","MoKα","","0.094","0.0694","","","0.1374","0.1479","","","","","","1.078","","","","has coordinates","191478","2020-10-21","18:00:00",""
"7119339","11.547","0.004","7.327","0.002","32.081","0.009","90","","96.234","0.005","90","","2698.2","1.4","118","2","118","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C35 H29 N5 Ni -","- C35 H29 N5 Ni -","- C140 H116 N20 Ni4 -","4","1","","Yoshida, Takuya; Sakamaki, Daisuke; Seki, Shu; Shinokubo, Hiroshi","Enhancing the low-energy absorption band and charge mobility of antiaromatic Ni(II) norcorroles by their substituent effects.","Chemical communications (Cambridge, England)","2017","53","6","1112","1115","10.1039/c6cc09444a","","","0.71075","MoKα","","0.0333","0.032","","","0.0903","0.0917","","","","","","1.077","","","","has coordinates","191478","2020-10-21","18:00:00",""
"7119340","17.128","0.004","11.539","0.002","21.492","0.004","90","","94.759","0.003","90","","4233","1.5","113","2","113","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C51 H31.5 F9 N7.5 Ni1.5 -","- C51 H31.5 F9 N7.5 Ni1.5 -","- C204 H126 F36 N30 Ni6 -","4","1","","Yoshida, Takuya; Sakamaki, Daisuke; Seki, Shu; Shinokubo, Hiroshi","Enhancing the low-energy absorption band and charge mobility of antiaromatic Ni(II) norcorroles by their substituent effects.","Chemical communications (Cambridge, England)","2017","53","6","1112","1115","10.1039/c6cc09444a","","","0.71075","MoKα","","0.0784","0.0695","","","0.1807","0.1885","","","","","","1.083","","","","has coordinates,has disorder","191478","2020-10-21","18:00:00",""
"7119341","9.9447","0.0018","9.7882","0.0017","14.404","0.003","90","","99.979","0.004","90","","1380.9","0.5","296","2","296","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C34 H31 Cl N2 O -","- C34 H31 Cl N2 O -","- C68 H62 Cl2 N4 O2 -","2","1","","Liu, Suna; Yang, Pu; Peng, Shiyong; Zhu, Chenghao; Cao, Shengyu; Li, Jian; Sun, Jiangtao","Gold-catalyzed sequential annulations towards 3,4-fused bi/tri-cyclic furans involving a [3+2+2]-cycloaddition.","Chemical communications (Cambridge, England)","2017","53","6","1152","1155","10.1039/c6cc09154g","","","0.71073","MoKα","","0.0639","0.0473","","","0.1273","0.1408","","","","","","1.05","","","","has coordinates","191479","2020-10-21","18:00:00",""
"7119342","24.7202","0.0005","13.679","0.0002","16.2972","0.0003","90","","95.893","0.0016","90","","5481.74","0.17","123","1","123","1","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C52 H84 P2 S4 Zr2 -","- C52 H84 P2 S4 Zr2 -","- C208 H336 P8 S16 Zr8 -","4","0.5","","Seitz, A. E.; Heinl, V.; Timoshkin, A. Y.; Scheer, M.","Transformation of nortricyclane type cage compounds P4S3, P4Se3 and As4S3 by [Cp''2Zr(CO)2].","Chemical communications (Cambridge, England)","2017","53","6","1172","1175","10.1039/c6cc09427a","","x-ray","1.54184","CuKα","","0.0397","0.0344","","","0.0883","0.0941","","","","","","1.055","","","","has coordinates","191480","2020-10-21","18:00:00",""
"7119343","15.2831","0.0003","9.91947","0.00018","18.625","0.0003","90","","102.835","0.0018","90","","2753","0.09","123","1","123","1","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C52 H84 P2 Se4 Zr2 -","- C52 H84 P2 Se4 Zr2 -","- C104 H168 P4 Se8 Zr4 -","2","0.5","","Seitz, A. E.; Heinl, V.; Timoshkin, A. Y.; Scheer, M.","Transformation of nortricyclane type cage compounds P4S3, P4Se3 and As4S3 by [Cp''2Zr(CO)2].","Chemical communications (Cambridge, England)","2017","53","6","1172","1175","10.1039/c6cc09427a","","x-ray","1.54184","CuKα","","0.0624","0.0518","","","0.1236","0.1327","","","","","","1.021","","","","has coordinates","211412","2020-10-21","18:00:00",""
"7119344","12.6043","0.0002","12.6538","0.0002","24.3651","0.0004","90","","95.3864","0.0015","90","","3868.89","0.11","123","1","123","1","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C80 H116 As2 S4 Zr2 -","- C80 H116 As2 S4 Zr2 -","- C160 H232 As4 S8 Zr4 -","2","0.5","","Seitz, A. E.; Heinl, V.; Timoshkin, A. Y.; Scheer, M.","Transformation of nortricyclane type cage compounds P4S3, P4Se3 and As4S3 by [Cp''2Zr(CO)2].","Chemical communications (Cambridge, England)","2017","53","6","1172","1175","10.1039/c6cc09427a","","x-ray","1.54184","CuKα","","0.0444","0.0334","","","0.0779","0.0842","","","","","","1.021","","","","has coordinates","191480","2020-10-21","18:00:00",""
"7119345","8.7354","0.0006","23.0026","0.0014","11.6433","0.0007","90","","100.207","0.004","90","","2302.5","0.3","173","2","173","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C17 H35 K N2 Si2 -","- C17 H35 K N2 Si2 -","- C68 H140 K4 N8 Si8 -","4","1","","Boteju, Kasuni C.; Ellern, Arkady; Sadow, Aaron D.","Homoleptic organolanthanide compounds supported by the bis(dimethylsilyl)benzyl ligand.","Chemical communications (Cambridge, England)","2017","53","4","716","719","10.1039/c6cc09304c","","","0.71073","MoKα","","0.0996","0.0705","","","0.1845","0.2145","","","","","","0.98","","","","has coordinates","189930","2020-10-21","18:00:00",""
"7119346","12.438","0.0006","12.438","0.0006","16.1574","0.0011","90","","90","","120","","2164.7","0.2","173","2","173","2","","","","","","","","4","P -3","-P 3","147","","","","- C35.5 H63 La Si6 -","- C35.4999 H57 La Si6 -","- C70.9998 H114 La2 Si12 -","2","0.333333","","Boteju, Kasuni C.; Ellern, Arkady; Sadow, Aaron D.","Homoleptic organolanthanide compounds supported by the bis(dimethylsilyl)benzyl ligand.","Chemical communications (Cambridge, England)","2017","53","4","716","719","10.1039/c6cc09304c","","","0.71073","MoKα","","0.0352","0.031","","","0.0842","0.0941","","","","","","1.107","","","","has coordinates","189930","2020-10-21","18:00:00",""
"7119347","22.3238","0.0015","19.8412","0.0013","19.9211","0.0013","90","","116.076","0.001","90","","7925.5","0.9","173","2","173","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C33 H57 Ce Si6 -","- C33 H57 Ce Si6 -","- C264 H456 Ce8 Si48 -","8","2","","Boteju, Kasuni C.; Ellern, Arkady; Sadow, Aaron D.","Homoleptic organolanthanide compounds supported by the bis(dimethylsilyl)benzyl ligand.","Chemical communications (Cambridge, England)","2017","53","4","716","719","10.1039/c6cc09304c","","","0.71073","MoKα","","0.0506","0.0306","","","0.0598","0.0713","","","","","","1.037","","","","has coordinates","189930","2020-10-21","18:00:00",""
"7119348","22.3348","0.0019","19.8432","0.0017","19.8549","0.0017","90","","116.017","0.001","90","","7907.9","1.2","173","2","173","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C33 H57 Nd Si6 -","- C33 H57 Nd Si6 -","- C264 H456 Nd8 Si48 -","8","2","","Boteju, Kasuni C.; Ellern, Arkady; Sadow, Aaron D.","Homoleptic organolanthanide compounds supported by the bis(dimethylsilyl)benzyl ligand.","Chemical communications (Cambridge, England)","2017","53","4","716","719","10.1039/c6cc09304c","","","0.71073","MoKα","","0.0624","0.0346","","","0.0628","0.0776","","","","","","1.036","","","","has coordinates","189930","2020-10-21","18:00:00",""
"7119349","22.331","0.0006","19.8399","0.0005","19.8802","0.0005","90","","116.047","0.001","90","","7913.2","0.4","173","2","173","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C33 H57 Pr Si6 -","- C33 H57 Pr Si6 -","- C264 H456 Pr8 Si48 -","8","2","","Boteju, Kasuni C.; Ellern, Arkady; Sadow, Aaron D.","Homoleptic organolanthanide compounds supported by the bis(dimethylsilyl)benzyl ligand.","Chemical communications (Cambridge, England)","2017","53","4","716","719","10.1039/c6cc09304c","","","1.54178","CuKα","","0.071","0.0695","","","0.1909","0.1931","","","","","","1.117","","","","has coordinates","189930","2020-10-21","18:00:00",""
"7119364","10.2044","0.0002","12.8835","0.0002","19.3776","0.0004","90","","93.6752","0.0018","90","","2542.3","0.08","100","0.1","100","0.1","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C32 H20 Cl2 Fe N4 O2 -","- C32 H20 Cl2 Fe N4 O2 -","- C128 H80 Cl8 Fe4 N16 O8 -","4","1","","Phonsri, Wasinee; Davies, Casey G.; Jameson, Guy N. L.; Moubaraki, Boujemaa; Ward, Jas S.; Kruger, Paul E.; Chastanet, Guillaume; Murray, Keith S.","Symmetry breaking above room temperature in an Fe(ii) spin crossover complex with an N4O2 donor set.","Chemical communications (Cambridge, England)","2017","53","8","1374","1377","10.1039/c6cc10040f","","x-ray","1.54184","CuKα","","0.0489","0.0437","","","0.1137","0.1186","","","","","","1.02","","","","has coordinates","191493","2020-10-21","18:00:00",""
"7119365","10.2113","0.0002","12.9889","0.0002","19.6876","0.0004","90","","93.2672","0.0018","90","","2606.99","0.08","298.01","0.1","298.01","0.1","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C32 H20 Cl2 Fe N4 O2 -","- C32 H20 Cl2 Fe N4 O2 -","- C128 H80 Cl8 Fe4 N16 O8 -","4","1","","Phonsri, Wasinee; Davies, Casey G.; Jameson, Guy N. L.; Moubaraki, Boujemaa; Ward, Jas S.; Kruger, Paul E.; Chastanet, Guillaume; Murray, Keith S.","Symmetry breaking above room temperature in an Fe(ii) spin crossover complex with an N4O2 donor set.","Chemical communications (Cambridge, England)","2017","53","8","1374","1377","10.1039/c6cc10040f","","x-ray","1.54184","CuKα","","0.0533","0.0436","","","0.1129","0.1215","","","","","","1.043","","","","has coordinates","191493","2020-10-21","18:00:00",""
"7119366","10.2926","0.0005","13.0726","0.0005","19.6371","0.0008","90.988","0.003","93.801","0.003","90.596","0.003","2635.8","0.2","308.01","0.1","308.01","0.1","","","","","","","","6","P -1","-P 1","2","","","","- C32 H20 Cl2 Fe N4 O2 -","- C32 H20 Cl2 Fe N4 O2 -","- C128 H80 Cl8 Fe4 N16 O8 -","4","2","","Phonsri, Wasinee; Davies, Casey G.; Jameson, Guy N. L.; Moubaraki, Boujemaa; Ward, Jas S.; Kruger, Paul E.; Chastanet, Guillaume; Murray, Keith S.","Symmetry breaking above room temperature in an Fe(ii) spin crossover complex with an N4O2 donor set.","Chemical communications (Cambridge, England)","2017","53","8","1374","1377","10.1039/c6cc10040f","","x-ray","1.54184","CuKα","","0.091","0.0655","","","0.1744","0.2002","","","","","","1.019","","","","has coordinates","191493","2020-10-21","18:00:00",""
"7119367","10.3266","0.0006","13.1023","0.0006","19.6014","0.0009","90.696","0.004","93.869","0.004","90.429","0.004","2645.8","0.2","312","0.1","312","0.1","","","","","","","","6","P -1","-P 1","2","","","","- C32 H20 Cl2 Fe N4 O2 -","- C32 H20 Cl2 Fe N4 O2 -","- C128 H80 Cl8 Fe4 N16 O8 -","4","2","","Phonsri, Wasinee; Davies, Casey G.; Jameson, Guy N. L.; Moubaraki, Boujemaa; Ward, Jas S.; Kruger, Paul E.; Chastanet, Guillaume; Murray, Keith S.","Symmetry breaking above room temperature in an Fe(ii) spin crossover complex with an N4O2 donor set.","Chemical communications (Cambridge, England)","2017","53","8","1374","1377","10.1039/c6cc10040f","","x-ray","1.54184","CuKα","","0.0984","0.0673","","","0.1762","0.2083","","","","","","0.998","","","","has coordinates","191493","2020-10-21","18:00:00",""
"7119368","10.3632","0.0003","13.1281","0.0003","19.5466","0.0005","90","","94.034","0.003","90","","2652.71","0.12","318.01","0.1","318.01","0.1","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C32 H20 Cl2 Fe N4 O2 -","- C32 H20 Cl2 Fe N4 O2 -","- C128 H80 Cl8 Fe4 N16 O8 -","4","1","","Phonsri, Wasinee; Davies, Casey G.; Jameson, Guy N. L.; Moubaraki, Boujemaa; Ward, Jas S.; Kruger, Paul E.; Chastanet, Guillaume; Murray, Keith S.","Symmetry breaking above room temperature in an Fe(ii) spin crossover complex with an N4O2 donor set.","Chemical communications (Cambridge, England)","2017","53","8","1374","1377","10.1039/c6cc10040f","","x-ray","1.54184","CuKα","","0.0616","0.0452","","","0.1186","0.1314","","","","","","1.036","","","","has coordinates","191493","2020-10-21","18:00:00",""
"7119369","10.397","0.0004","13.1513","0.0004","19.5205","0.0006","90","","94.14","0.003","90","","2662.15","0.15","330","0.1","330","0.1","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C32 H20 Cl2 Fe N4 O2 -","- C32 H20 Cl2 Fe N4 O2 -","- C128 H80 Cl8 Fe4 N16 O8 -","4","1","","Phonsri, Wasinee; Davies, Casey G.; Jameson, Guy N. L.; Moubaraki, Boujemaa; Ward, Jas S.; Kruger, Paul E.; Chastanet, Guillaume; Murray, Keith S.","Symmetry breaking above room temperature in an Fe(ii) spin crossover complex with an N4O2 donor set.","Chemical communications (Cambridge, England)","2017","53","8","1374","1377","10.1039/c6cc10040f","","x-ray","1.54184","CuKα","","0.0643","0.0483","","","0.1278","0.1431","","","","","","1.04","","","","has coordinates","191493","2020-10-21","18:00:00",""
"7119370","9.0301","0.0013","16.641","0.002","25.46","0.004","90","","90","","90","","3825.9","0.9","110","2","110","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C35 H43 Fe N4 O11 S -","- C35 H43 Fe N4 O11 S -","- C140 H172 Fe4 N16 O44 S4 -","4","1","","Pulukkody, Randara; Chupik, Rachel B.; Montalvo, Steven K.; Khan, Sarosh; Bhuvanesh, Nattamai; Lim, Soon-Mi; Darensbourg, Marcetta Y.","Toward biocompatible dinitrosyl iron complexes: sugar-appended thiolates.","Chemical communications (Cambridge, England)","2017","53","6","1180","1183","10.1039/c6cc08659d","","","0.71073","MoKα","","0.0414","0.0354","","","0.0898","0.0949","","","","","","1.073","","","","has coordinates,has disorder","191475","2020-10-21","18:00:00",""
"7119371","13.7895","0.0016","19.91","0.002","18.5249","0.0018","90","","95.484","0.005","90","","5062.7","0.9","293","2","293","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C30 H30 B N S -","- C30 H30 B N S -","- C240 H240 B8 N8 S8 -","8","1","","Neena, Kalluvettukuzhy K.; Sudhakar, Pagidi; Dipak, Kumbhar; Thilagar, Pakkirisamy","Diarylboryl-phenothiazine based multifunctional molecular siblings.","Chemical communications (Cambridge, England)","2017","53","26","3641","3644","10.1039/c6cc09717k","","","0.71073","MoKα","","0.0614","0.0501","","","0.1507","0.1589","","","","","","1.081","","","","has coordinates","194957","2020-10-21","18:00:00",""
"7119372","18.7282","0.0006","18.7282","0.0006","34.3232","0.0011","90","","90","","120","","10425.8","0.6","293","2","293","2","","","","","","","","5","R 3 c :H","R 3 -2""c","161","","","","- C28 H26 B N S -","- C28 H26 B N S -","- C504 H468 B18 N18 S18 -","18","1","","Neena, Kalluvettukuzhy K.; Sudhakar, Pagidi; Dipak, Kumbhar; Thilagar, Pakkirisamy","Diarylboryl-phenothiazine based multifunctional molecular siblings.","Chemical communications (Cambridge, England)","2017","53","26","3641","3644","10.1039/c6cc09717k","","","0.71073","MoKα","","0.1226","0.0639","","","0.1221","0.1568","","","","","","0.989","","","","has coordinates","194957","2020-10-21","18:00:00",""
"7119390","31.6875","0.0019","12.3025","0.0006","24.4541","0.0014","90","","111.423","0.001","90","","8874.4","0.9","113","2","113","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C55 H43 Cl N O6 S2 -","- C55 H43 Cl N O6 S2 -","- C440 H344 Cl8 N8 O48 S16 -","8","1","","Du, Yanlong; Yu, Aimin; Jia, Jiru; Zhang, Youquan; Meng, Xiangtai","Direct N-H/α,α,β,β-C(sp(3))-H functionalization of piperidine via an azomethine ylide route: synthesis of spirooxindoles bearing 3-substituted oxindoles.","Chemical communications (Cambridge, England)","2017","53","10","1684","1687","10.1039/c6cc08996h","","","0.71073","MoKα","","0.0552","0.0503","","","0.1398","0.1429","","","","","","1.043","","","","has coordinates","191461","2020-10-21","18:00:00",""
"7119391","12.092","0.002","12.945","0.002","13.599","0.003","98.723","0.003","112.832","0.004","96.192","0.002","1906.4","0.6","113","2","113","2","","","","","","","","6","P -1","-P 1","2","","","","- C39 H36 Cl3 N3 O6 S2 -","- C39 H35 Cl3 N3 O6 S2 -","- C78 H70 Cl6 N6 O12 S4 -","2","1","","Du, Yanlong; Yu, Aimin; Jia, Jiru; Zhang, Youquan; Meng, Xiangtai","Direct N-H/α,α,β,β-C(sp(3))-H functionalization of piperidine via an azomethine ylide route: synthesis of spirooxindoles bearing 3-substituted oxindoles.","Chemical communications (Cambridge, England)","2017","53","10","1684","1687","10.1039/c6cc08996h","","","0.71073","MoKα","","0.0446","0.0416","","","0.1182","0.1207","","","","","","1.015","","","","has coordinates,has disorder","191461","2020-10-21","18:00:00",""
"7119392","14.539","0.002","10.3664","0.0009","17.82","0.002","90","","108.211","0.015","90","","2551.3","0.6","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C30 H28 N4 O4 S -","- C30 H28 N4 O4 S -","- C120 H112 N16 O16 S4 -","4","1","","Du, Yanlong; Yu, Aimin; Jia, Jiru; Zhang, Youquan; Meng, Xiangtai","Direct N-H/α,α,β,β-C(sp(3))-H functionalization of piperidine via an azomethine ylide route: synthesis of spirooxindoles bearing 3-substituted oxindoles.","Chemical communications (Cambridge, England)","2017","53","10","1684","1687","10.1039/c6cc08996h","","x-ray","0.71073","MoKα","","0.0771","0.0479","","","0.1064","0.1228","","","","","","1.029","","","","has coordinates","191461","2020-10-21","18:00:00",""
"7119393","15.3537","0.0005","14.2772","0.0005","19.1707","0.0008","90","","104.615","0.004","90","","4066.4","0.3","123.1","","123.1","","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C93 H110 Mg2 N10 -","- C93 H110 Mg2 N10 -","- C186 H220 Mg4 N20 -","2","0.5","","Davin, Laia; McLellan, Ross; Hernán-Gómez, Alberto; Clegg, William; Kennedy, Alan R.; Mertens, Maria; Stepek, Iain A.; Hevia, Eva","Regioselective magnesiation of N-heterocyclic molecules: securing insecure cyclic anions by a β-diketiminate-magnesium clamp.","Chemical communications (Cambridge, England)","2017","53","26","3653","3656","10.1039/c6cc09675a","","","0.71073","MoKα","","0.069","0.0453","","","0.1034","0.1183","","","","","","1.026","","","","has coordinates,has disorder","194956","2020-10-21","18:00:00",""
"7119394","11.5906","0.0004","15.2013","0.0006","17.8446","0.0007","90","","98.976","0.004","90","","3105.6","0.2","123","2","123","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C32 H45 Mg N5 -","- C32 H45 Mg N5 -","- C128 H180 Mg4 N20 -","4","1","","Davin, Laia; McLellan, Ross; Hernán-Gómez, Alberto; Clegg, William; Kennedy, Alan R.; Mertens, Maria; Stepek, Iain A.; Hevia, Eva","Regioselective magnesiation of N-heterocyclic molecules: securing insecure cyclic anions by a β-diketiminate-magnesium clamp.","Chemical communications (Cambridge, England)","2017","53","26","3653","3656","10.1039/c6cc09675a","","","1.5418","CuKα","","0.0474","0.0419","","","0.1099","0.115","","","","","","1.04","","","","has coordinates","194956","2020-10-21","18:00:00",""
"7119395","9.2553","0.0009","12.7671","0.0013","16.8484","0.0016","84.318","0.002","82.946","0.002","86.524","0.002","1963.7","0.3","100","2","100","2","","","","","","","","6","P -1","-P 1","2","","","","- C44 H55 F2 Mg N3 O -","- C44 H55 F2 Mg N3 O -","- C88 H110 F4 Mg2 N6 O2 -","2","1","","Davin, Laia; McLellan, Ross; Hernán-Gómez, Alberto; Clegg, William; Kennedy, Alan R.; Mertens, Maria; Stepek, Iain A.; Hevia, Eva","Regioselective magnesiation of N-heterocyclic molecules: securing insecure cyclic anions by a β-diketiminate-magnesium clamp.","Chemical communications (Cambridge, England)","2017","53","26","3653","3656","10.1039/c6cc09675a","","","0.6889","synchrotron","","0.0545","0.0477","","","0.1234","0.1275","","","","","","1.119","","","","has coordinates,has disorder","194956","2020-10-21","18:00:00",""
"7119396","12.3525","0.0007","12.408","0.0008","22.7369","0.0014","101.488","0.003","92.55","0.003","93.804","0.003","3401.6","0.4","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","","","- C74 H102 Mg2 N6 O -","- C74 H102 Mg2 N6 O -","- C148 H204 Mg4 N12 O2 -","2","1","","Davin, Laia; McLellan, Ross; Hernán-Gómez, Alberto; Clegg, William; Kennedy, Alan R.; Mertens, Maria; Stepek, Iain A.; Hevia, Eva","Regioselective magnesiation of N-heterocyclic molecules: securing insecure cyclic anions by a β-diketiminate-magnesium clamp.","Chemical communications (Cambridge, England)","2017","53","26","3653","3656","10.1039/c6cc09675a","","","0.6889","synchrotron","","0.0875","0.0561","","","0.1421","0.1595","","","","","","1.066","","","","has coordinates","194956","2020-10-21","18:00:00",""
"7119397","10.7648","0.0008","12.8654","0.0011","13.4034","0.0012","96.729","0.007","109.851","0.008","103.994","0.007","1653.3","0.3","123","2","123","2","","","","","","","synthesis as described","4","P -1","-P 1","2","","","","- C73 H96 Mg2 N8 -","- C73 H96 Mg2 N8 -","- C73 H96 Mg2 N8 -","1","0.5","","Davin, Laia; McLellan, Ross; Hernán-Gómez, Alberto; Clegg, William; Kennedy, Alan R.; Mertens, Maria; Stepek, Iain A.; Hevia, Eva","Regioselective magnesiation of N-heterocyclic molecules: securing insecure cyclic anions by a β-diketiminate-magnesium clamp.","Chemical communications (Cambridge, England)","2017","53","26","3653","3656","10.1039/c6cc09675a","","x-ray","0.71073","MoKα","","0.1062","0.0776","","","0.2137","0.24","","","","","","1.082","","","","has coordinates,has disorder","194956","2020-10-21","18:00:00",""
"7119398","9.9688","0.0002","19.2157","0.0004","14.5392","0.0003","90","","99.702","0.002","90","","2745.26","0.1","293","2","293","","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C24 H20 N0 O12 P4 Si Zr -","- C24 H20 O12 P4 Si Zr -","- C96 H80 O48 P16 Si4 Zr4 -","4","1","","Gao, Chao-Ying; Ai, Jing; Tian, Hong-Rui; Wu, Dai; Sun, Zhong-Ming","An ultrastable zirconium-phosphonate framework as bifunctional catalyst for highly active CO2 chemical transformation.","Chemical communications (Cambridge, England)","2017","53","7","1293","1296","10.1039/c6cc08773f","","","1.54184","CuKα","","0.0611","0.0488","","","0.1364","0.1507","","","","","","1.054","","","","has coordinates","191457","2020-10-21","18:00:00",""
"7119399","9.1407","0.0008","10.98","0.001","18.0686","0.0016","105.432","0.001","91.962","0.001","108.604","0.001","1642.6","0.3","293","2","293","2","","","","","","","","4","P -1","-P 1","2","","","","- C39 H36 O4 Se -","- C39 H36 O4 Se -","- C78 H72 O8 Se2 -","2","1","","Hu, Yimin; Ma, Jie; Li, Lidong; Hu, Qiong; Lv, Shuang; Liu, Baohua; Wang, Shaowu","Fused multifunctionalized dibenzoselenophenes from tetraynes.","Chemical communications (Cambridge, England)","2017","53","9","1542","1545","10.1039/c6cc09732d","","","0.71073","MoKα","","0.066","0.0413","","","0.1005","0.1116","","","","","","0.989","","","","has coordinates","191496","2020-10-21","18:00:00",""
"7119400","14.263","0.002","8.8263","0.0013","27.54","0.004","90","","97.494","0.002","90","","3437.4","0.9","293","2","293","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C39 H36 O4 Se -","- C39 H36 O4 Se -","- C156 H144 O16 Se4 -","4","1","","Hu, Yimin; Ma, Jie; Li, Lidong; Hu, Qiong; Lv, Shuang; Liu, Baohua; Wang, Shaowu","Fused multifunctionalized dibenzoselenophenes from tetraynes.","Chemical communications (Cambridge, England)","2017","53","9","1542","1545","10.1039/c6cc09732d","","","0.71073","MoKα","","0.2105","0.0883","","","0.1485","0.1822","","","","","","0.977","","","","has coordinates,has disorder","191496","2020-10-21","18:00:00",""
"7119401","11.1578","0.001","11.3581","0.001","12.6856","0.0011","86.395","0.001","80.464","0.001","64.078","0.001","1425.9","0.2","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C33 H22 Cl2 O4 Se -","- C33 H22 Cl2 O4 Se -","- C66 H44 Cl4 O8 Se2 -","2","1","","Hu, Yimin; Ma, Jie; Li, Lidong; Hu, Qiong; Lv, Shuang; Liu, Baohua; Wang, Shaowu","Fused multifunctionalized dibenzoselenophenes from tetraynes.","Chemical communications (Cambridge, England)","2017","53","9","1542","1545","10.1039/c6cc09732d","","","0.71073","MoKα","","0.0446","0.0336","","","0.0799","0.0853","","","","","","0.988","","","","has coordinates","191496","2020-10-21","18:00:00",""
"7119402","11.8983","0.0012","24.716","0.002","12.991","0.0009","90","","120.114","0.006","90","","3304.7","0.5","293","2","293","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C38 H34 O4 Se -","- C38 H34 O4 Se -","- C152 H136 O16 Se4 -","4","1","","Hu, Yimin; Ma, Jie; Li, Lidong; Hu, Qiong; Lv, Shuang; Liu, Baohua; Wang, Shaowu","Fused multifunctionalized dibenzoselenophenes from tetraynes.","Chemical communications (Cambridge, England)","2017","53","9","1542","1545","10.1039/c6cc09732d","","","0.71073","MoKα","","0.185","0.1178","","","0.3851","0.4433","","","","","","1.086","","","","has coordinates","191496","2020-10-21","18:00:00",""
"7119403","12.8202","0.0004","14.9253","0.0004","30.2522","0.0008","90","","95.4151","0.0015","90","","5762.8","0.3","150","2","150","2","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C54 H84 B Fe K N6 O10 -","- C54 H84 B Fe K N6 O10 -","- C216 H336 B4 Fe4 K4 N24 O40 -","4","1","","Hickey, Anne K.; Lutz, Sean A.; Chen, Chun-Hsing; Smith, Jeremy M.","Two-state reactivity in C-H activation by a four-coordinate iron(0) complex.","Chemical communications (Cambridge, England)","2017","53","7","1245","1248","10.1039/c6cc09244f","","","0.71073","MoKα","","0.0953","0.0603","","","0.1481","0.1654","","","","","","1.052","","","","has coordinates,has disorder","191459","2020-10-21","18:00:00",""
"7119404","16.407","0.004","23.902","0.009","14.901","0.003","90","","103.206","0.017","90","","5689","3","200","2","200","2","","","","","","","","8","C 1 2 1","C 2y","5","","","","- C20 H52 Cl4 N8 O14.5 Pd2 Pt2 S4 -","- C20 H52 Cl4 N8 O14.5 Pd2 Pt2 S4 -","- C80 H208 Cl16 N32 O58 Pd8 Pt8 S16 -","4","1","","Kuwamura, Naoto; Kurioka, Yoshinari; Konno, Takumi","A platinum(ii)-palladium(ii)-nickel(ii) heterotrimetallic coordination polymer showing a cooperative effect on catalytic hydrogen evolution.","Chemical communications (Cambridge, England)","2017","53","5","846","849","10.1039/c6cc08789b","","","0.71075","MoKα","","0.0341","0.0324","","","0.0989","0.0998","","","","","","1.047","","","","has coordinates,has disorder","190361","2020-10-21","18:00:00",""
"7119405","22.503","0.003","9.065","0.001","18.45","0.002","90","","119.332","0.008","90","","3281.1","0.7","200","2","200","2","","","","","","","","9","C 1 2 1","C 2y","5","","","","- C20 H48 Cl2 N8 Ni O26 Pd2 Pt2 S4 -","- C20 H48 Cl2 N8 Ni O26 Pd2 Pt2 S4 -","- C40 H96 Cl4 N16 Ni2 O52 Pd4 Pt4 S8 -","2","0.5","","Kuwamura, Naoto; Kurioka, Yoshinari; Konno, Takumi","A platinum(ii)-palladium(ii)-nickel(ii) heterotrimetallic coordination polymer showing a cooperative effect on catalytic hydrogen evolution.","Chemical communications (Cambridge, England)","2017","53","5","846","849","10.1039/c6cc08789b","","","0.71075","MoKα","","0.0666","0.0569","","","0.1597","0.1658","","","","","","1.058","","","","has coordinates,has disorder","190361","2020-10-21","18:00:00",""
"7119406","13.365","0.002","17.037","0.003","16.781","0.003","90","","98.932","0.003","90","","3774.7","1.1","200","2","200","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C24 H18 N2 O -","- C24 H18 N2 O -","- C192 H144 N16 O8 -","8","2","","Yang, Tang-Hao; Kuo, Chun-Wei; Kavala, Veerababurao; Konala, Ashok; Huang, Chia-Yu; Yao, Ching-Fa","Regioselective switching approach for the synthesis of α and δ carboline derivatives.","Chemical communications (Cambridge, England)","2017","53","10","1676","1679","10.1039/c6cc09468f","","","0.71073","MoKα","","0.0789","0.0505","","","0.1344","0.1512","","","","","","1.058","","","","has coordinates","191463","2020-10-21","18:00:00",""
"7119407","9.48","0.0012","13.2295","0.0016","15.0067","0.0019","88.685","0.004","73.346","0.004","86.478","0.004","1799.7","0.4","200","2","200","2","","","","","","","","4","P -1","-P 1","2","","","","- C24 H18 N2 O -","- C24 H18 N2 O -","- C96 H72 N8 O4 -","4","2","","Yang, Tang-Hao; Kuo, Chun-Wei; Kavala, Veerababurao; Konala, Ashok; Huang, Chia-Yu; Yao, Ching-Fa","Regioselective switching approach for the synthesis of α and δ carboline derivatives.","Chemical communications (Cambridge, England)","2017","53","10","1676","1679","10.1039/c6cc09468f","","","0.71073","MoKα","","0.053","0.0374","","","0.0892","0.104","","","","","","1.084","","","","has coordinates","191463","2020-10-21","18:00:00",""
"7119408","8.2571","0.0007","16.859","0.0015","17.1654","0.0015","66.416","0.005","86.395","0.005","89.79","0.005","2185","0.3","200","2","200","2","","","","","","","","4","P -1","-P 1","2","","","","- C25 H20 N2 O2 -","- C25 H20 N2 O2 -","- C100 H80 N8 O8 -","4","2","","Yang, Tang-Hao; Kuo, Chun-Wei; Kavala, Veerababurao; Konala, Ashok; Huang, Chia-Yu; Yao, Ching-Fa","Regioselective switching approach for the synthesis of α and δ carboline derivatives.","Chemical communications (Cambridge, England)","2017","53","10","1676","1679","10.1039/c6cc09468f","","","0.71073","MoKα","","0.1235","0.0921","","","0.2654","0.2855","","","","","","1.064","","","","has coordinates","191463","2020-10-21","18:00:00",""
"7119409","8.3703","0.0002","9.2341","0.0002","11.1634","0.0003","90.457","0.001","110.366","0.001","100.752","0.001","792.21","0.03","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","","","- C16 H16 N2 O5 Zn -","- C16 H16 N2 O5 Zn -","- C32 H32 N4 O10 Zn2 -","2","1","","Aggarwal, Himanshu; Das, Raj Kumar; Engel, Emile R.; Barbour, Leonard J.","A five-fold interpenetrated metal-organic framework showing a large variation in thermal expansion behaviour owing to dramatic structural transformation upon dehydration-rehydration.","Chemical communications (Cambridge, England)","2017","53","5","861","864","10.1039/c6cc07995d","","","0.71073","MoKα","","0.0225","0.0217","","","0.0556","0.056","","","","","","1.032","","","","has coordinates","190363","2020-10-21","18:00:00",""
"7119410","8.3664","0.0002","9.236","0.0003","11.163","0.0003","90.482","0.002","110.353","0.002","100.726","0.001","792.1","0.04","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","","","- C16 H16 N2 O5 Zn -","- C16 H16 N2 O5 Zn -","- C32 H32 N4 O10 Zn2 -","2","1","","Aggarwal, Himanshu; Das, Raj Kumar; Engel, Emile R.; Barbour, Leonard J.","A five-fold interpenetrated metal-organic framework showing a large variation in thermal expansion behaviour owing to dramatic structural transformation upon dehydration-rehydration.","Chemical communications (Cambridge, England)","2017","53","5","861","864","10.1039/c6cc07995d","","","0.71073","MoKα","","0.0227","0.0217","","","0.0535","0.054","","","","","","1.042","","","","has coordinates","190363","2020-10-21","18:00:00",""
"7119411","8.3788","0.0002","9.2243","0.0002","11.1762","0.0003","90.546","0.002","110.397","0.001","100.564","0.001","793.38","0.03","120","2","120","2","","","","","","","","5","P -1","-P 1","2","","","","- C16 H16 N2 O5 Zn -","- C16 H16 N2 O5 Zn -","- C32 H32 N4 O10 Zn2 -","2","1","","Aggarwal, Himanshu; Das, Raj Kumar; Engel, Emile R.; Barbour, Leonard J.","A five-fold interpenetrated metal-organic framework showing a large variation in thermal expansion behaviour owing to dramatic structural transformation upon dehydration-rehydration.","Chemical communications (Cambridge, England)","2017","53","5","861","864","10.1039/c6cc07995d","","","0.71073","MoKα","","0.0231","0.0221","","","0.055","0.0556","","","","","","1.031","","","","has coordinates","190363","2020-10-21","18:00:00",""
"7119412","8.3909","0.0002","9.2121","0.0002","11.1901","0.0003","90.62","0.002","110.447","0.002","100.385","0.001","794.64","0.04","140","2","140","2","","","","","","","","5","P -1","-P 1","2","","","","- C16 H16 N2 O5 Zn -","- C16 H16 N2 O5 Zn -","- C32 H32 N4 O10 Zn2 -","2","1","","Aggarwal, Himanshu; Das, Raj Kumar; Engel, Emile R.; Barbour, Leonard J.","A five-fold interpenetrated metal-organic framework showing a large variation in thermal expansion behaviour owing to dramatic structural transformation upon dehydration-rehydration.","Chemical communications (Cambridge, England)","2017","53","5","861","864","10.1039/c6cc07995d","","","0.71073","MoKα","","0.0244","0.0231","","","0.0581","0.0588","","","","","","1.029","","","","has coordinates","190363","2020-10-21","18:00:00",""
"7119413","8.4043","0.0003","9.199","0.0003","11.2066","0.0004","90.703","0.002","110.501","0.002","100.187","0.002","796.14","0.05","160","2","160","2","","","","","","","","5","P -1","-P 1","2","","","","- C16 H16 N2 O5 Zn -","- C16 H16 N2 O5 Zn -","- C32 H32 N4 O10 Zn2 -","2","1","","Aggarwal, Himanshu; Das, Raj Kumar; Engel, Emile R.; Barbour, Leonard J.","A five-fold interpenetrated metal-organic framework showing a large variation in thermal expansion behaviour owing to dramatic structural transformation upon dehydration-rehydration.","Chemical communications (Cambridge, England)","2017","53","5","861","864","10.1039/c6cc07995d","","","0.71073","MoKα","","0.0252","0.0238","","","0.0605","0.0613","","","","","","1.048","","","","has coordinates","190363","2020-10-21","18:00:00",""
"7119414","8.4179","0.0002","9.1829","0.0002","11.2234","0.0003","90.807","0.002","110.554","0.001","99.951","0.001","797.49","0.03","180","2","180","2","","","","","","","","5","P -1","-P 1","2","","","","- C16 H16 N2 O5 Zn -","- C16 H16 N2 O5 Zn -","- C32 H32 N4 O10 Zn2 -","2","1","","Aggarwal, Himanshu; Das, Raj Kumar; Engel, Emile R.; Barbour, Leonard J.","A five-fold interpenetrated metal-organic framework showing a large variation in thermal expansion behaviour owing to dramatic structural transformation upon dehydration-rehydration.","Chemical communications (Cambridge, England)","2017","53","5","861","864","10.1039/c6cc07995d","","","0.71073","MoKα","","0.0271","0.0254","","","0.0656","0.0665","","","","","","1.049","","","","has coordinates","190363","2020-10-21","18:00:00",""
"7119415","8.4318","0.0002","9.1634","0.0002","11.2411","0.0003","90.933","0.001","110.602","0.001","99.686","0.001","798.71","0.03","200","2","200","2","","","","","","","","5","P -1","-P 1","2","","","","- C16 H16 N2 O5 Zn -","- C16 H16 N2 O5 Zn -","- C32 H32 N4 O10 Zn2 -","2","1","","Aggarwal, Himanshu; Das, Raj Kumar; Engel, Emile R.; Barbour, Leonard J.","A five-fold interpenetrated metal-organic framework showing a large variation in thermal expansion behaviour owing to dramatic structural transformation upon dehydration-rehydration.","Chemical communications (Cambridge, England)","2017","53","5","861","864","10.1039/c6cc07995d","","","0.71073","MoKα","","0.0285","0.0266","","","0.0682","0.0692","","","","","","1.035","","","","has coordinates","190363","2020-10-21","18:00:00",""
"7119416","8.4474","0.0002","9.1453","0.0002","11.2631","0.0003","91.059","0.001","110.661","0.001","99.39","0.001","800.52","0.03","220","2","220","2","","","","","","","","5","P -1","-P 1","2","","","","- C16 H16 N2 O5 Zn -","- C16 H16 N2 O5 Zn -","- C32 H32 N4 O10 Zn2 -","2","1","","Aggarwal, Himanshu; Das, Raj Kumar; Engel, Emile R.; Barbour, Leonard J.","A five-fold interpenetrated metal-organic framework showing a large variation in thermal expansion behaviour owing to dramatic structural transformation upon dehydration-rehydration.","Chemical communications (Cambridge, England)","2017","53","5","861","864","10.1039/c6cc07995d","","","0.71073","MoKα","","0.0306","0.0286","","","0.0733","0.0745","","","","","","1.06","","","","has coordinates","190363","2020-10-21","18:00:00",""
"7119417","8.4619","0.0002","9.1264","0.0002","11.2843","0.0003","91.177","0.002","110.717","0.001","99.088","0.001","802.11","0.03","240","2","240","2","","","","","","","","5","P -1","-P 1","2","","","","- C16 H16 N2 O5 Zn -","- C16 H16 N2 O5 Zn -","- C32 H32 N4 O10 Zn2 -","2","1","","Aggarwal, Himanshu; Das, Raj Kumar; Engel, Emile R.; Barbour, Leonard J.","A five-fold interpenetrated metal-organic framework showing a large variation in thermal expansion behaviour owing to dramatic structural transformation upon dehydration-rehydration.","Chemical communications (Cambridge, England)","2017","53","5","861","864","10.1039/c6cc07995d","","","0.71073","MoKα","","0.0329","0.0306","","","0.0771","0.0787","","","","","","1.026","","","","has coordinates","190363","2020-10-21","18:00:00",""
"7119418","8.1653","0.0002","8.8929","0.0002","11.2602","0.0002","92.327","0.001","107.639","0.001","95.663","0.001","773.25","0.03","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","","","- C16 H14 N2 O4 Zn -","- C16 H14 N2 O4 Zn -","- C32 H28 N4 O8 Zn2 -","2","1","","Aggarwal, Himanshu; Das, Raj Kumar; Engel, Emile R.; Barbour, Leonard J.","A five-fold interpenetrated metal-organic framework showing a large variation in thermal expansion behaviour owing to dramatic structural transformation upon dehydration-rehydration.","Chemical communications (Cambridge, England)","2017","53","5","861","864","10.1039/c6cc07995d","","","0.71073","MoKα","","0.0245","0.0224","","","0.0538","0.0548","","","","","","1.067","","","","has coordinates","190363","2020-10-21","18:00:00",""
"7119419","8.1663","0.0002","8.8936","0.0002","11.26","0.0002","92.305","0.001","107.67","0.001","95.665","0.001","773.27","0.03","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","","","- C16 H14 N2 O4 Zn -","- C16 H14 N2 O4 Zn -","- C32 H28 N4 O8 Zn2 -","2","1","","Aggarwal, Himanshu; Das, Raj Kumar; Engel, Emile R.; Barbour, Leonard J.","A five-fold interpenetrated metal-organic framework showing a large variation in thermal expansion behaviour owing to dramatic structural transformation upon dehydration-rehydration.","Chemical communications (Cambridge, England)","2017","53","5","861","864","10.1039/c6cc07995d","","","0.71073","MoKα","","0.0246","0.0229","","","0.0538","0.0545","","","","","","1.059","","","","has coordinates","190363","2020-10-21","18:00:00",""
"7119420","8.1696","0.0001","8.8871","0.0002","11.2748","0.0002","92.312","0.001","107.662","0.001","95.599","0.001","774.17","0.02","120","2","120","2","","","","","","","","5","P -1","-P 1","2","","","","- C16 H14 N2 O4 Zn -","- C16 H14 N2 O4 Zn -","- C32 H28 N4 O8 Zn2 -","2","1","","Aggarwal, Himanshu; Das, Raj Kumar; Engel, Emile R.; Barbour, Leonard J.","A five-fold interpenetrated metal-organic framework showing a large variation in thermal expansion behaviour owing to dramatic structural transformation upon dehydration-rehydration.","Chemical communications (Cambridge, England)","2017","53","5","861","864","10.1039/c6cc07995d","","","0.71073","MoKα","","0.0247","0.0227","","","0.0548","0.0556","","","","","","1.046","","","","has coordinates","190363","2020-10-21","18:00:00",""
"7119421","8.1718","0.0001","8.8796","0.0002","11.2884","0.0002","92.322","0.001","107.661","0.001","95.53","0.001","774.77","0.02","140","2","140","2","","","","","","","","5","P -1","-P 1","2","","","","- C16 H14 N2 O4 Zn -","- C16 H14 N2 O4 Zn -","- C32 H28 N4 O8 Zn2 -","2","1","","Aggarwal, Himanshu; Das, Raj Kumar; Engel, Emile R.; Barbour, Leonard J.","A five-fold interpenetrated metal-organic framework showing a large variation in thermal expansion behaviour owing to dramatic structural transformation upon dehydration-rehydration.","Chemical communications (Cambridge, England)","2017","53","5","861","864","10.1039/c6cc07995d","","","0.71073","MoKα","","0.0242","0.0224","","","0.0535","0.0542","","","","","","1.04","","","","has coordinates","190363","2020-10-21","18:00:00",""
"7119422","8.1742","0.0001","8.8724","0.0002","11.3032","0.0002","92.343","0.001","107.665","0.001","95.457","0.001","775.46","0.02","160","2","160","2","","","","","","","","5","P -1","-P 1","2","","","","- C16 H14 N2 O4 Zn -","- C16 H14 N2 O4 Zn -","- C32 H28 N4 O8 Zn2 -","2","1","","Aggarwal, Himanshu; Das, Raj Kumar; Engel, Emile R.; Barbour, Leonard J.","A five-fold interpenetrated metal-organic framework showing a large variation in thermal expansion behaviour owing to dramatic structural transformation upon dehydration-rehydration.","Chemical communications (Cambridge, England)","2017","53","5","861","864","10.1039/c6cc07995d","","","0.71073","MoKα","","0.024","0.0222","","","0.0536","0.0543","","","","","","1.06","","","","has coordinates","190363","2020-10-21","18:00:00",""
"7119423","8.1769","0.0001","8.8656","0.0001","11.3207","0.0002","92.361","0.001","107.667","0.001","95.383","0.001","776.416","0.019","180","2","180","2","","","","","","","","5","P -1","-P 1","2","","","","- C16 H14 N2 O4 Zn -","- C16 H14 N2 O4 Zn -","- C32 H28 N4 O8 Zn2 -","2","1","","Aggarwal, Himanshu; Das, Raj Kumar; Engel, Emile R.; Barbour, Leonard J.","A five-fold interpenetrated metal-organic framework showing a large variation in thermal expansion behaviour owing to dramatic structural transformation upon dehydration-rehydration.","Chemical communications (Cambridge, England)","2017","53","5","861","864","10.1039/c6cc07995d","","","0.71073","MoKα","","0.0246","0.0225","","","0.0543","0.0552","","","","","","1.033","","","","has coordinates","190363","2020-10-21","18:00:00",""
"7119424","8.1794","0.0001","8.8596","0.0001","11.3396","0.0002","92.373","0.001","107.679","0.001","95.309","0.001","777.476","0.019","200","2","200","2","","","","","","","","5","P -1","-P 1","2","","","","- C16 H14 N2 O4 Zn -","- C16 H14 N2 O4 Zn -","- C32 H28 N4 O8 Zn2 -","2","1","","Aggarwal, Himanshu; Das, Raj Kumar; Engel, Emile R.; Barbour, Leonard J.","A five-fold interpenetrated metal-organic framework showing a large variation in thermal expansion behaviour owing to dramatic structural transformation upon dehydration-rehydration.","Chemical communications (Cambridge, England)","2017","53","5","861","864","10.1039/c6cc07995d","","","0.71073","MoKα","","0.0253","0.0229","","","0.0555","0.0565","","","","","","1.067","","","","has coordinates","190363","2020-10-21","18:00:00",""
"7119425","8.1816","0.0001","8.8537","0.0001","11.36","0.0002","92.384","0.001","107.705","0.001","95.233","0.001","778.558","0.019","220","2","220","2","","","","","","","","5","P -1","-P 1","2","","","","- C16 H14 N2 O4 Zn -","- C16 H14 N2 O4 Zn -","- C32 H28 N4 O8 Zn2 -","2","1","","Aggarwal, Himanshu; Das, Raj Kumar; Engel, Emile R.; Barbour, Leonard J.","A five-fold interpenetrated metal-organic framework showing a large variation in thermal expansion behaviour owing to dramatic structural transformation upon dehydration-rehydration.","Chemical communications (Cambridge, England)","2017","53","5","861","864","10.1039/c6cc07995d","","","0.71073","MoKα","","0.0263","0.0242","","","0.0588","0.0596","","","","","","1.043","","","","has coordinates","190363","2020-10-21","18:00:00",""
"7119426","8.1838","0.0001","8.8496","0.0001","11.3819","0.0002","92.384","0.001","107.74","0.001","95.16","0.001","779.865","0.019","240","2","240","2","","","","","","","","5","P -1","-P 1","2","","","","- C16 H14 N2 O4 Zn -","- C16 H14 N2 O4 Zn -","- C32 H28 N4 O8 Zn2 -","2","1","","Aggarwal, Himanshu; Das, Raj Kumar; Engel, Emile R.; Barbour, Leonard J.","A five-fold interpenetrated metal-organic framework showing a large variation in thermal expansion behaviour owing to dramatic structural transformation upon dehydration-rehydration.","Chemical communications (Cambridge, England)","2017","53","5","861","864","10.1039/c6cc07995d","","","0.71073","MoKα","","0.0276","0.025","","","0.0628","0.064","","","","","","1.06","","","","has coordinates","190363","2020-10-21","18:00:00",""
"7119427","8.186","0.0001","8.8468","0.0001","11.4059","0.0001","92.381","0.001","107.782","0.001","95.089","0.001","781.397","0.015","260","2","260","2","","","","","","","","5","P -1","-P 1","2","","","","- C16 H14 N2 O4 Zn -","- C16 H14 N2 O4 Zn -","- C32 H28 N4 O8 Zn2 -","2","1","","Aggarwal, Himanshu; Das, Raj Kumar; Engel, Emile R.; Barbour, Leonard J.","A five-fold interpenetrated metal-organic framework showing a large variation in thermal expansion behaviour owing to dramatic structural transformation upon dehydration-rehydration.","Chemical communications (Cambridge, England)","2017","53","5","861","864","10.1039/c6cc07995d","","","0.71073","MoKα","","0.0299","0.0266","","","0.0645","0.0662","","","","","","1.062","","","","has coordinates","190363","2020-10-21","18:00:00",""
"7119428","8.1882","0.0001","8.8452","0.0001","11.4318","0.0001","92.376","0.001","107.837","0.001","95.018","0.001","783.107","0.016","280","2","280","2","","","","","","","","5","P -1","-P 1","2","","","","- C16 H14 N2 O4 Zn -","- C16 H14 N2 O4 Zn -","- C32 H28 N4 O8 Zn2 -","2","1","","Aggarwal, Himanshu; Das, Raj Kumar; Engel, Emile R.; Barbour, Leonard J.","A five-fold interpenetrated metal-organic framework showing a large variation in thermal expansion behaviour owing to dramatic structural transformation upon dehydration-rehydration.","Chemical communications (Cambridge, England)","2017","53","5","861","864","10.1039/c6cc07995d","","","0.71073","MoKα","","0.0314","0.0281","","","0.0694","0.071","","","","","","1.043","","","","has coordinates","190363","2020-10-21","18:00:00",""
"7119429","8.1911","0.0001","8.8481","0.0001","11.4585","0.0002","92.343","0.001","107.95","0.001","94.957","0.001","785.09","0.02","298","2","298","2","","","","","","","","5","P -1","-P 1","2","","","","- C16 H14 N2 O4 Zn -","- C16 H14 N2 O4 Zn -","- C32 H28 N4 O8 Zn2 -","2","1","","Aggarwal, Himanshu; Das, Raj Kumar; Engel, Emile R.; Barbour, Leonard J.","A five-fold interpenetrated metal-organic framework showing a large variation in thermal expansion behaviour owing to dramatic structural transformation upon dehydration-rehydration.","Chemical communications (Cambridge, England)","2017","53","5","861","864","10.1039/c6cc07995d","","","0.71073","MoKα","","0.0346","0.0309","","","0.0746","0.0764","","","","","","1.065","","","","has coordinates","190363","2020-10-21","18:00:00",""
"7119430","8.1801","0.0019","8.831","0.002","11.441","0.003","92.396","0.002","107.797","0.002","94.95","0.003","782","0.3","247","2","247","2","","","","","","","","5","P -1","-P 1","2","","","","- C16 H14 N2 O4 Zn -","- C16 H14 N2 O4 Zn -","- C32 H28 N4 O8 Zn2 -","2","1","","Aggarwal, Himanshu; Das, Raj Kumar; Engel, Emile R.; Barbour, Leonard J.","A five-fold interpenetrated metal-organic framework showing a large variation in thermal expansion behaviour owing to dramatic structural transformation upon dehydration-rehydration.","Chemical communications (Cambridge, England)","2017","53","5","861","864","10.1039/c6cc07995d","","","0.71073","MoKα","","0.0577","0.044","","","0.0913","0.1005","","","","","","1.05","","","","has coordinates","190363","2020-10-21","18:00:00",""
"7119431","8.385","0.003","9.21","0.003","11.159","0.004","90.459","0.004","110.476","0.004","100.507","0.005","791.4","0.5","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","","","- C16 H16 N2 O5 Zn -","- C16 H16 N2 O5 Zn -","- C32 H32 N4 O10 Zn2 -","2","1","","Aggarwal, Himanshu; Das, Raj Kumar; Engel, Emile R.; Barbour, Leonard J.","A five-fold interpenetrated metal-organic framework showing a large variation in thermal expansion behaviour owing to dramatic structural transformation upon dehydration-rehydration.","Chemical communications (Cambridge, England)","2017","53","5","861","864","10.1039/c6cc07995d","","","0.71073","MoKα","","0.0673","0.0514","","","0.1248","0.1353","","","","","","1.026","","","","has coordinates","190363","2020-10-21","18:00:00",""
"7119432","7.754","0.003","10.149","0.005","11.964","0.005","97.693","0.009","108.065","0.008","95.123","0.009","878.5","0.7","295","2","295","2","","","","","","","","5","P -1","-P 1","2","","","","- C21 H19 N O2 S -","- C21 H19 N O2 S -","- C42 H38 N2 O4 S2 -","2","1","","Ni, Chunjie; Zhang, Yuwen; Hou, Yading; Tong, Xiaofeng","Access to thiopyrano[2,3-b]indole via tertiary amine-catalyzed formal (3+3) annulations of β'-acetoxy allenoates with indoline-2-thiones.","Chemical communications (Cambridge, England)","2017","53","17","2567","2570","10.1039/c6cc09788j","","","0.71073","MoKα","","0.0598","0.05","","","0.1351","0.1565","","","","","","1.073","","","","has coordinates","193674","2020-10-21","18:00:00",""
"7119433","14.2548","0.0008","24.6361","0.0014","25.133","0.0016","90","","90","","90","","8826.3","0.9","293","3","293","3","","","","","","","see text","4","P 21 21 21","P 2ac 2ab","19","","","","- C19 H19 N3 O6 -","- C19 H19 N3 O6 -","- C304 H304 N48 O96 -","16","4","","Kokan, Zoran; Perić, Berislav; Vazdar, Mario; Marinić, Željko; Vikić-Topić, Dražen; Meštrović, Ernest; Kirin, Srećko I","Metal-induced supramolecular chirality inversion of small self-assembled molecules in solution.","Chemical communications (Cambridge, England)","2017","53","12","1945","1948","10.1039/c6cc09203a","","x-ray","1.54184","CuKα","","0.1489","0.0884","","","0.2173","0.2767","","","","","","0.899","","","","has coordinates","193719","2020-10-21","18:00:00",""
"7119434","9.6691","0.0003","17.4598","0.0005","20.4487","0.0006","90","","94.891","0.002","90","","3439.59","0.18","223.01","0.1","223.01","0.1","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C44 H54 Cr2 Cu4 N12 O23 -","- C44 H46 Cr2 Cu4 N12 O23 -","- C88 H92 Cr4 Cu8 N24 O46 -","2","0.5","","Lv, Xiu-Xiu; Shi, Lu-Lu; Li, Ke; Li, Bao-Long; Li, Hai-Yan","An unusual porous cationic metal-organic framework based on a tetranuclear hydroxyl-copper(ii) cluster for fast and highly efficient dichromate trapping through a single-crystal to single-crystal process.","Chemical communications (Cambridge, England)","2017","53","11","1860","1863","10.1039/c6cc09676j","","","0.71073","MoKα","","0.0703","0.0579","","","0.1699","0.1779","","","","","","1.027","","","","has coordinates,has disorder","191488","2020-10-21","18:00:00",""
"7119435","9.6552","0.0002","17.1958","0.0005","20.8804","0.0006","90","","94.231","0.002","90","","3457.3","0.16","223.01","0.1","223.01","0.1","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C22 H21 Br Cu2 N6 O5 -","- C22 H21 Br Cu2 N6 O5 -","- C88 H84 Br4 Cu8 N24 O20 -","4","1","","Lv, Xiu-Xiu; Shi, Lu-Lu; Li, Ke; Li, Bao-Long; Li, Hai-Yan","An unusual porous cationic metal-organic framework based on a tetranuclear hydroxyl-copper(ii) cluster for fast and highly efficient dichromate trapping through a single-crystal to single-crystal process.","Chemical communications (Cambridge, England)","2017","53","11","1860","1863","10.1039/c6cc09676j","","","0.71073","MoKα","","0.0815","0.066","","","0.2029","0.2118","","","","","","1.061","","","","has coordinates","191488","2020-10-21","18:00:00",""
"7119436","17.7662","0.0011","34.295","0.002","16.3935","0.0011","90","","90","","90","","9988.4","1.1","100","","100","","","","","","","","","5","P 21 21 2","P 2 2ab","18","","","","- C78 H122 Dy2 N6 O12 -","- C77.988 H121.973 Dy2 N6 O12 -","- C311.952 H487.892 Dy8 N24 O48 -","4","1","","Dolinar, Brian S.; Gómez-Coca, Silvia; Alexandropoulos, Dimitris I.; Dunbar, Kim R.","An air stable radical-bridged dysprosium single molecule magnet and its neutral counterpart: redox switching of magnetic relaxation dynamics.","Chemical communications (Cambridge, England)","2017","53","14","2283","2286","10.1039/c6cc09824j","","x-ray","0.71073","MoKα","K-L~3~","0.0803","0.0545","","","0.1052","0.1133","","","","","","1.03","","","","has coordinates,has disorder","193692","2020-10-21","18:00:00",""
"7119437","18.4756","0.0006","22.8962","0.0008","25.6356","0.0009","90","","101.439","0.001","90","","10629","0.6","110","","110","","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C100.5 H162 Co Dy2 N6 O12 -","- C100.5 H162 Co Dy2 N6 O12 -","- C402 H648 Co4 Dy8 N24 O48 -","4","1","","Dolinar, Brian S.; Gómez-Coca, Silvia; Alexandropoulos, Dimitris I.; Dunbar, Kim R.","An air stable radical-bridged dysprosium single molecule magnet and its neutral counterpart: redox switching of magnetic relaxation dynamics.","Chemical communications (Cambridge, England)","2017","53","14","2283","2286","10.1039/c6cc09824j","","x-ray","0.71073","MoKα","","0.0444","0.0302","","","0.0582","0.0623","","","","","","1.029","","","","has coordinates,has disorder","193692","2020-10-21","18:00:00",""
"7119438","10.9553","0.0005","11.5009","0.0007","15.3888","0.0008","95.181","0.005","103.451","0.004","101.178","0.005","1831.24","0.18","173","0.1","173","0.1","","","","","","","","3","P -1","-P 1","2","","","","- C48 H36 O6 -","- C48 H36 O6 -","- C96 H72 O12 -","2","1","","Khadem, Mohammadreza; Zhao, Yuming","Multivalent dithiafulvenyl functionalization of dendritic oligo(phenylene vinylene)s with an anthraquinodimethane core.","Chemical communications (Cambridge, England)","2017","53","11","1821","1824","10.1039/c6cc10085f","","x-ray","1.54184","CuKα","","0.0651","0.0563","","","0.15","0.1615","","","","","","1.029","","","","has coordinates","191486","2020-10-21","18:00:00",""
"7119439","10.04588","0.00015","9.57981","0.00012","15.0463","0.0002","90","","109.001","0.0016","90","","1369.12","0.03","150","0.1","150","0.1","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C14 H17 N O3 S -","- C14 H17 N O3 S -","- C56 H68 N4 O12 S4 -","4","1","","Peng, Youbin; Liu, Juan; Qi, Chaorong; Yuan, Gaoqing; Li, Jiawei; Jiang, Huanfeng","nBu4NI-catalyzed oxidative cross-coupling of carbon dioxide, amines, and aryl ketones: access to O-β-oxoalkyl carbamates.","Chemical communications (Cambridge, England)","2017","53","18","2665","2668","10.1039/c6cc09762f","","x-ray","1.54184","CuKα","","0.0331","0.0312","","","0.0809","0.0824","","","","","","1.071","","","","has coordinates","193713","2020-10-21","18:00:00",""
"7119489","11.8823","0.0002","6.1606","0.0001","13.2198","0.0002","90","","99.151","0.001","90","","955.4","0.03","130","","130","","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C22 H27 N O2 -","- C22 H27 N O2 -","- C44 H54 N2 O4 -","2","1","","Su, Yong-Liang; Li, Yu-Hui; Chen, Yu-Gen; Han, Zhi-Yong","Ir/PTC cooperatively catalyzed asymmetric umpolung allylation of α-imino ester enabled synthesis of α-quaternary amino acid derivatives bearing two vicinal stereocenters.","Chemical communications (Cambridge, England)","2017","53","12","1985","1988","10.1039/c6cc09654a","","","1.54178","CuKα","","0.035","0.0345","","","0.0892","0.0901","","","","","","1.065","","","","has coordinates","193725","2020-10-21","18:00:00",""
"7119490","9.6757","0.0003","24.7111","0.0007","12.3147","0.0004","90","","93.511","0.003","90","","2938.88","0.16","150","","150","","","","","","","","","7","I 1 a 1","I -2ya","9","","","","- C32 H27 Cl3 N2 O3 P S -","- C32 H27 Cl3 N2 O3 P S -","- C128 H108 Cl12 N8 O12 P4 S4 -","4","1","","Thrimurtulu, Neetipalli; Nallagonda, Rajender; Volla, Chandra M. R.","Cobalt-catalyzed aryl C-H activation and highly regioselective intermolecular annulation of sulfonamides with allenes.","Chemical communications (Cambridge, England)","2017","53","11","1872","1875","10.1039/c6cc08622e","","x-ray","0.71073","MoKα","","0.0715","0.066","","","0.1765","0.1851","","","","","","1.101","","","","has coordinates","191490","2020-10-21","18:00:00",""
"7119491","11.1094","0.0005","13.0608","0.0007","13.288","0.0007","111.68","0.005","91.034","0.004","90.043","0.004","1791.32","0.17","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C20 H18 N2 O4 S -","- C20 H18 N2 O4 S -","- C80 H72 N8 O16 S4 -","4","2","","Thrimurtulu, Neetipalli; Nallagonda, Rajender; Volla, Chandra M. R.","Cobalt-catalyzed aryl C-H activation and highly regioselective intermolecular annulation of sulfonamides with allenes.","Chemical communications (Cambridge, England)","2017","53","11","1872","1875","10.1039/c6cc08622e","","x-ray","0.71073","MoKα","","0.1147","0.0881","","","0.2157","0.2363","","","","","","1.064","","","","has coordinates","191490","2020-10-21","18:00:00",""
"7119492","9.8352","0.0005","12.6037","0.0006","20.8785","0.0012","90","","96.156","0.006","90","","2573.2","0.2","150","","150","","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C30 H23 Br N2 O3 P S -","- C30 H23 Br N2 O3 P S -","- C120 H92 Br4 N8 O12 P4 S4 -","4","1","","Thrimurtulu, Neetipalli; Nallagonda, Rajender; Volla, Chandra M. R.","Cobalt-catalyzed aryl C-H activation and highly regioselective intermolecular annulation of sulfonamides with allenes.","Chemical communications (Cambridge, England)","2017","53","11","1872","1875","10.1039/c6cc08622e","","x-ray","0.71073","MoKα","","0.058","0.0434","","","0.0981","0.1053","","","","","","1.028","","","","has coordinates","191490","2020-10-21","18:00:00",""
"7119493","10.2779","0.0004","8.9789","0.0003","28.8091","0.001","90","","94.652","0.004","90","","2649.87","0.16","150","","150","","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","17.PF6","","- C21 H27 F6 N5 O6 P Re -","- C21 H27 F6 N5 O6 P Re -","- C84 H108 F24 N20 O24 P4 Re4 -","4","1","","Chan, Chung Ying; Noor, Asif; McLean, Catriona A.; Donnelly, Paul S.; Barnard, Peter J.","Rhenium(i) complexes of N-heterocyclic carbene ligands that bind to amyloid plaques of Alzheimer's disease.","Chemical communications (Cambridge, England)","2017","53","15","2311","2314","10.1039/c6cc10066j","","","0.71073","MoKα","","0.0275","0.0249","","","0.0574","0.0585","","","","","","1.139","","","","has coordinates,has disorder","193705","2020-10-21","18:00:00",""
"7119494","8.7659","0.0003","12.9987","0.0007","16.3263","0.0011","68.155","0.006","76.597","0.004","81.414","0.004","1675.6","0.17","150","","150","","","","","","","","","8","P -1","-P 1","2","","16.PF6","","- C32 H32 F6 N8 O4 P Re S -","- C32 H32 F6 N8 O4 P Re S -","- C64 H64 F12 N16 O8 P2 Re2 S2 -","2","1","","Chan, Chung Ying; Noor, Asif; McLean, Catriona A.; Donnelly, Paul S.; Barnard, Peter J.","Rhenium(i) complexes of N-heterocyclic carbene ligands that bind to amyloid plaques of Alzheimer's disease.","Chemical communications (Cambridge, England)","2017","53","15","2311","2314","10.1039/c6cc10066j","","","0.71073","MoKα","","0.0302","0.0264","","","0.0622","0.0645","","","","","","1.044","","","","has coordinates,has disorder","193705","2020-10-21","18:00:00",""
"7119495","11.3606","0.0005","12.7288","0.0004","14.7762","0.0006","108.108","0.003","103.558","0.004","100.145","0.003","1901.27","0.15","150","","150","","","","","","","","","7","P -1","-P 1","2","","15.PF6","","- C36 H41 F6 N7 O5 P Re -","- C36 H41 F6 N7 O5 P Re -","- C72 H82 F12 N14 O10 P2 Re2 -","2","1","","Chan, Chung Ying; Noor, Asif; McLean, Catriona A.; Donnelly, Paul S.; Barnard, Peter J.","Rhenium(i) complexes of N-heterocyclic carbene ligands that bind to amyloid plaques of Alzheimer's disease.","Chemical communications (Cambridge, England)","2017","53","15","2311","2314","10.1039/c6cc10066j","","","0.71073","MoKα","","0.0273","0.0238","","","0.0527","0.0546","","","","","","1.037","","","","has coordinates,has disorder","193705","2020-10-21","18:00:00",""
"7119496","5.57982","0.00008","4.79015","0.00007","15.1644","0.0002","90","","94.0417","0.0008","90","","404.309","0.01","297","2","297","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C8 H10 N4 -","- C8 H10 N4 -","- C16 H20 N8 -","2","0.5","","Ahmed, Basil M.; Mezei, Gellert","Accessing the inaccessible: discrete multinuclear coordination complexes and selective anion binding attainable only by tethering ligands together.","Chemical communications (Cambridge, England)","2017","53","6","1029","1032","10.1039/c6cc09197k","","","0.71073","MoKα","","0.0472","0.0379","","","0.0966","0.1027","","","","","","1.05","","","","has coordinates","190613","2020-10-21","18:00:00",""
"7119497","19.405","0.0006","13.4239","0.0004","19.5853","0.0006","90","","94.268","0.002","90","","5087.6","0.3","296","2","296","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C48 H69 Cu4 N17 O -","- C48 H68 Cu4 N17 O -","- C192 H272 Cu16 N68 O4 -","4","1","","Ahmed, Basil M.; Mezei, Gellert","Accessing the inaccessible: discrete multinuclear coordination complexes and selective anion binding attainable only by tethering ligands together.","Chemical communications (Cambridge, England)","2017","53","6","1029","1032","10.1039/c6cc09197k","","","0.71073","MoKα","","0.1004","0.0787","","","0.1586","0.1693","","","","","","1.092","","","","has coordinates,has disorder","190613","2020-10-21","18:00:00",""
"7119498","16.6684","0.0003","5.4357","0.0001","14.3613","0.0003","90","","98.362","0.001","90","","1287.36","0.04","297","2","297","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C12 H20 N2 O2 -","- C12 H20 N2 O2 -","- C48 H80 N8 O8 -","4","0.5","","Ahmed, Basil M.; Mezei, Gellert","Accessing the inaccessible: discrete multinuclear coordination complexes and selective anion binding attainable only by tethering ligands together.","Chemical communications (Cambridge, England)","2017","53","6","1029","1032","10.1039/c6cc09197k","","","0.71073","MoKα","","0.0666","0.0557","","","0.1681","0.1821","","","","","","1.059","","","","has coordinates","190613","2020-10-21","18:00:00",""
"7119499","11.0383","0.0002","19.3794","0.0005","25.1577","0.0006","90","","90","","90","","5381.6","0.2","296","2","296","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C41 H43 Cu4 N15 O8 -","- C41 H43 Cu4 N15 O8 -","- C164 H172 Cu16 N60 O32 -","4","1","","Ahmed, Basil M.; Mezei, Gellert","Accessing the inaccessible: discrete multinuclear coordination complexes and selective anion binding attainable only by tethering ligands together.","Chemical communications (Cambridge, England)","2017","53","6","1029","1032","10.1039/c6cc09197k","","","0.71073","MoKα","","0.0578","0.053","","","0.1585","0.1641","","","","","","1.15","","","","has coordinates","190613","2020-10-21","18:00:00",""
"7119500","19.1439","0.0007","9.6535","0.0003","30.1293","0.001","90","","107.678","0.002","90","","5305.1","0.3","100","2","100","2","","","","","","","","5","P 1 c 1","P -2yc","7","PySi","","","- C29 H37 N O4 Si -","- C29 H37 N O4 Si -","- C232 H296 N8 O32 Si8 -","8","4","","El Idrissi, Mohamed; Teat, Simon J.; Corvini, Philippe F.-X.; Paterson, Martin J.; Dalgarno, Scott J.; Shahgaldian, Patrick","Template-free hierarchical self-assembly of a pyrene derivative into supramolecular nanorods.","Chemical communications (Cambridge, England)","2017","53","12","1973","1976","10.1039/c6cc09731f","","","0.7749","Synchrotron","","0.1186","0.0975","","","0.259","0.2765","","","","","","1.034","","","","has coordinates,has disorder","193720","2020-10-21","18:00:00",""
"7119501","19.9364","0.0018","11.5274","0.001","22.498","0.002","90","","104.908","0.0013","90","","4996.4","0.8","100","2","100","2","","","","","","","","5","P 1 21/a 1","-P 2yab","14","","","","- C83 H29 Cl2 N2.36 O4.5 -","- C83 H29 Cl2 N2.36 O4.5 -","- C332 H116 Cl8 N9.44 O18 -","4","1","","Futagoishi, Tsukasa; Murata, Michihisa; Wakamiya, Atsushi; Murata, Yasujiro","Unprecedented photochemical rearrangement of an open-cage C60 derivative.","Chemical communications (Cambridge, England)","2017","53","10","1712","1714","10.1039/c6cc10103h","","","0.71073","MoKα","","0.1018","0.0725","","","0.1712","0.1886","","","","","","1.148","","","","has coordinates,has disorder","191460","2020-10-21","18:00:00",""
"7119502","9.2808","0.0003","13.3894","0.0005","23.6283","0.0009","90","","90","","90","","2936.16","0.18","190","2","190","2","","","","","","","","4","P b c 21","P 2c -2b","29","","4-methoxy-6-oxo-5,8,9,10,11,11a-hexahydro-6H- pyrido[1,2-c]quinazolin-10-yl acetate","","- C15 H18 N2 O4 -","- C15 H18 N2 O4 -","- C120 H144 N16 O32 -","8","2","","Sawant, Rajiv T.; Stevens, Marc Y.; Odell, Luke R.","Acetic acid-promoted cascade N-acyliminium ion/aza-Prins cyclization: stereoselective synthesis of functionalized fused tricyclic piperidines.","Chemical communications (Cambridge, England)","2017","53","13","2110","2113","10.1039/c6cc09805c","","","0.71073","MoKα","","0.2445","0.1194","","","0.2486","0.3197","","","","","","1.016","","","","has coordinates","193690","2020-10-21","18:00:00",""
"7119503","9","0.0004","14.0771","0.0007","15.5933","0.0008","90","","90.682","0.003","90","","1975.44","0.17","296","2","296","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C24 H30 N4 O0 -","- C24 H30 N4 -","- C96 H120 N16 -","4","1","","Kumar, Nivesh; Das, Mrinal Kanti; Ghosh, Santanu; Bisai, Alakesh","Development of catalytic deacylative alkylations (DaA) of 3-acyl-2-oxindoles: total synthesis of meso-chimonanthine and related alkaloids.","Chemical communications (Cambridge, England)","2017","53","13","2170","2173","10.1039/c6cc10228j","","","0.71073","MoKα","","0.0999","0.0595","","","0.1563","0.1832","","","","","","1.09","","","","has coordinates","193689","2020-10-21","18:00:00",""
"7119504","10.9319","0.0002","12.8579","0.0002","15.7558","0.0003","90","","110.243","0.001","90","","2077.86","0.07","180","2","180","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C44 H52 Al2 Li2 N4 O2 -","- C44 H52 Al2 Li2 N4 O2 -","- C88 H104 Al4 Li4 N8 O4 -","2","0.5","","García-Rodríguez, Raúl; Hanf, Schirin; Bond, Andrew D.; Wright, Dominic S.","A non-chiral lithium aluminate reagent for the determination of enantiomeric excess of chiral alcohols.","Chemical communications (Cambridge, England)","2017","53","7","1225","1228","10.1039/c6cc09671a","","","1.54178","CuKα","","0.0734","0.0584","","","0.1517","0.1618","","","","","","1.074","","","","has coordinates","190756","2020-10-21","18:00:00",""
"7119505","10.0524","0.0003","10.2219","0.0003","18.3853","0.0005","87.4066","0.0015","86.1584","0.0014","84.2038","0.0015","1873.88","0.09","180","2","180","2","","","","","","","","6","P 1","P 1","1","","","","- C36 H52 Al2 Li2 N4 O2 -","- C36 H52 Al2 Li2 N4 O2 -","- C72 H104 Al4 Li4 N8 O4 -","2","2","","García-Rodríguez, Raúl; Hanf, Schirin; Bond, Andrew D.; Wright, Dominic S.","A non-chiral lithium aluminate reagent for the determination of enantiomeric excess of chiral alcohols.","Chemical communications (Cambridge, England)","2017","53","7","1225","1228","10.1039/c6cc09671a","","","1.54178","CuKα","","0.0826","0.0575","","","0.1292","0.1412","","","","","","1.027","","","","has coordinates,has disorder","190756","2020-10-21","18:00:00",""
"7119506","9.9938","0.0003","10.2452","0.0003","19.3556","0.0006","75.1082","0.0013","77.7169","0.0013","84.5937","0.0013","1869.74","0.1","180","2","180","2","","","","","","","","6","P 1","P 1","1","","","","- C36 H52 Al2 Li2 N4 O2 -","- C36 H52 Al2 Li2 N4 O2 -","- C72 H104 Al4 Li4 N8 O4 -","2","2","","García-Rodríguez, Raúl; Hanf, Schirin; Bond, Andrew D.; Wright, Dominic S.","A non-chiral lithium aluminate reagent for the determination of enantiomeric excess of chiral alcohols.","Chemical communications (Cambridge, England)","2017","53","7","1225","1228","10.1039/c6cc09671a","","","1.54178","CuKα","","0.0488","0.0445","","","0.1151","0.1191","","","","","","1.024","","","","has coordinates,has disorder","190756","2020-10-21","18:00:00",""
"7119507","9.7021","0.0002","22.8975","0.0005","22.1511","0.0005","90","","95.061","0.001","90","","4901.77","0.18","180","2","180","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C50 H68 Al2 Li2 N4 O2 -","- C50 H68 Al2 Li2 N4 O2 -","- C200 H272 Al8 Li8 N16 O8 -","4","1","","García-Rodríguez, Raúl; Hanf, Schirin; Bond, Andrew D.; Wright, Dominic S.","A non-chiral lithium aluminate reagent for the determination of enantiomeric excess of chiral alcohols.","Chemical communications (Cambridge, England)","2017","53","7","1225","1228","10.1039/c6cc09671a","","","1.54178","CuKα","","0.0957","0.0727","","","0.18","0.1951","","","","","","1.04","","","","has coordinates,has disorder","190756","2020-10-21","18:00:00",""
"7119508","10.1776","0.0003","11.8188","0.0003","17.604","0.0004","101.361","0.001","103.47","0.001","104.633","0.001","1917.43","0.09","180","2","180","2","","","","","","","","6","P -1","-P 1","2","","","","- C37 H48 Al2 Li2 N4 O2 -","- C37 H48 Al2 Li2 N4 O2 -","- C74 H96 Al4 Li4 N8 O4 -","2","1","","García-Rodríguez, Raúl; Hanf, Schirin; Bond, Andrew D.; Wright, Dominic S.","A non-chiral lithium aluminate reagent for the determination of enantiomeric excess of chiral alcohols.","Chemical communications (Cambridge, England)","2017","53","7","1225","1228","10.1039/c6cc09671a","","","1.54178","CuKα","","0.0442","0.0378","","","0.0979","0.1025","","","","","","1.041","","","","has coordinates","190756","2020-10-21","18:00:00",""
"7119509","9.856","0.004","10.755","0.005","12.812","0.006","101.231","0.017","95.114","0.015","109.65","0.015","1236.8","1","293","2","293","2","","","","","","","","6","P -1","-P 1","2","","","","- C25 H23 F3 N2 O3 S -","- C25 H23 F3 N2 O3 S -","- C50 H46 F6 N4 O6 S2 -","2","1","","Zhang, Xue; Wang, Xin; Gao, Yuelei; Xu, Xianxiu","Silver-catalyzed formal [3+2]-cycloaddition of α-trifluoromethylated methyl isocyanides: a facile stereoselective synthesis of CF3-substituted heterocycles.","Chemical communications (Cambridge, England)","2017","53","16","2427","2430","10.1039/c6cc10124k","","","0.71073","MoKα","","0.0846","0.0583","","","0.1609","0.1883","","","","","","1.082","","","","has coordinates","193683","2020-10-21","18:00:00",""
"7119510","11.299","0.006","10.333","0.005","13.186","0.008","90","","103.62","0.03","90","","1496.2","1.4","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C16 H13 F3 N2 O -","- C16 H13 F3 N2 O -","- C64 H52 F12 N8 O4 -","4","1","","Zhang, Xue; Wang, Xin; Gao, Yuelei; Xu, Xianxiu","Silver-catalyzed formal [3+2]-cycloaddition of α-trifluoromethylated methyl isocyanides: a facile stereoselective synthesis of CF3-substituted heterocycles.","Chemical communications (Cambridge, England)","2017","53","16","2427","2430","10.1039/c6cc10124k","","","0.71073","MoKα","","0.1063","0.0657","","","0.1524","0.1859","","","","","","1.051","","","","has coordinates","193683","2020-10-21","18:00:00",""
"7119511","16.876","0.002","6.7764","0.0008","10.1613","0.0013","90","","93.36","0.007","90","","1160","0.2","296","2","296","2","","","","","","","","4","C 1 c 1","C -2yc","9","","","","- Ge2 Hg Li4 S7 -","- Ge2 Hg Li4 S7 -","- Ge8 Hg4 Li16 S28 -","4","1","","Wu, Kui; Yang, Zhihua; Pan, Shilie","The first quaternary diamond-like semiconductor with 10-membered LiS4 rings exhibiting excellent nonlinear optical performances.","Chemical communications (Cambridge, England)","2017","53","21","3010","3013","10.1039/c6cc09565h","","","0.71073","MoKα","","0.0204","0.0191","","","0.0386","0.039","","","","","","0.876","","","","has coordinates","194986","2020-10-21","18:00:00",""
"7119512","12.181","0.003","4.9624","0.0011","48.446","0.013","90","","91.245","0.009","90","","2927.7","1.2","173","","173","","","","","","","","","4","I 1 2 1","I 2y","5","","","","- C18 H13 Cl O3 -","- C18 H13 Cl O3 -","- C144 H104 Cl8 O24 -","8","2","","Neyyappadath, Rifahath M.; Cordes, David B.; Slawin, Alexandra M. Z.; Smith, Andrew D.","6-exo-trig Michael addition-lactonizations for catalytic enantioselective chromenone synthesis.","Chemical communications (Cambridge, England)","2017","53","17","2555","2558","10.1039/c6cc10178j","","","1.54187","CuKα","","0.0769","0.0505","","","0.1142","0.1262","","","","","","0.955","","","","has coordinates","193670","2020-10-21","18:00:00",""
"7119513","8.7005","0.0016","8.8005","0.0016","18.865","0.003","90","","90","","90","","1444.5","0.4","173","","173","","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C18 H14 O4 -","- C18 H14 O4 -","- C72 H56 O16 -","4","1","","Neyyappadath, Rifahath M.; Cordes, David B.; Slawin, Alexandra M. Z.; Smith, Andrew D.","6-exo-trig Michael addition-lactonizations for catalytic enantioselective chromenone synthesis.","Chemical communications (Cambridge, England)","2017","53","17","2555","2558","10.1039/c6cc10178j","","","1.54187","CuKα","","0.0585","0.0502","","","0.1232","0.1296","","","","","","1.02","","","","has coordinates","193670","2020-10-21","18:00:00",""
"7119514","13.981","0.002","9.6424","0.0017","20.807","0.004","90","","90.981","0.004","90","","2804.6","0.8","293","2","293","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C37 H25 N5 -","- C37 H25 N5 -","- C148 H100 N20 -","4","1","","Liu, Jiangping; Jin, Chengzhi; Yuan, Bo; Liu, Xingguo; Chen, Yu; Ji, Liangnian; Chao, Hui","Selectively lighting up two-photon photodynamic activity in mitochondria with AIE-active iridium(iii) complexes.","Chemical communications (Cambridge, England)","2017","53","12","2052","2055","10.1039/c6cc10015e","","","0.71073","MoKα","","0.0789","0.0477","","","0.1293","0.1625","","","","","","1.017","","","","has coordinates","193721","2020-10-21","18:00:00",""
"7119515","20.8286","0.0009","18.639","0.0006","17.8263","0.0006","90","","91.188","0.004","90","","6919.1","0.4","150","2","150","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C59 H37 Cl F4 Ir N7 -","- C59 H37 Cl F4 Ir N7 -","- C236 H148 Cl4 F16 Ir4 N28 -","4","1","","Liu, Jiangping; Jin, Chengzhi; Yuan, Bo; Liu, Xingguo; Chen, Yu; Ji, Liangnian; Chao, Hui","Selectively lighting up two-photon photodynamic activity in mitochondria with AIE-active iridium(iii) complexes.","Chemical communications (Cambridge, England)","2017","53","12","2052","2055","10.1039/c6cc10015e","","","1.54184","CuKα","","0.109","0.0745","","","0.2021","0.2291","","","","","","1.054","","","","has coordinates,has disorder","193721","2020-10-21","18:00:00",""
"7119516","10.41","0.0014","12.0649","0.0015","11.7077","0.0014","90","","98.209","0.004","90","","1455.4","0.3","294","2","294","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C19 H12 Cl N O -","- C19 H12 Cl N O -","- C76 H48 Cl4 N4 O4 -","4","1","","Hu, Zhongyan; Dong, Jinhuan; Men, Yang; Li, Yifei; Xu, Xianxiu","Organocatalyzed aerobic oxidative Robinson-type annulation of 2-isocyanochalcones: expedient synthesis of phenanthridines.","Chemical communications (Cambridge, England)","2017","53","10","1739","1742","10.1039/c6cc09430a","","","0.71073","MoKα","","0.1131","0.087","","","0.2403","0.2767","","","","","","1.061","","","","has coordinates","191466","2020-10-21","18:00:00",""
"7119517","9.8097","0.0003","19.8264","0.0004","9.5259","0.0003","90","","95.136","0.002","90","","1845.26","0.09","150","0.1","150","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C18 H23 N3 O3 S -","- C18 H23 N3 O3 S -","- C72 H92 N12 O12 S4 -","4","1","","Mercalli, Valentina; Nyadanu, Aude; Cordier, Marie; Tron, Gian Cesare; Grimaud, Laurence; El Kaim, Laurent","N-N bond formation in Ugi processes: from nitric acid to libraries of nitramines.","Chemical communications (Cambridge, England)","2017","53","13","2118","2121","10.1039/c6cc10288c","","","0.71069","MoKα","","0.0578","0.0434","","","0.1175","0.1288","","","","","","1.02","","","","has coordinates","193691","2020-10-21","18:00:00",""
"7119518","13.4643","0.0007","16.5903","0.0011","21.0115","0.0014","107.438","0.006","92.843","0.005","108.583","0.005","4189.3","0.5","98","5","98","5","","","","","","","","6","P -1","-P 1","2","","","","- C68 H102 Mo3 N8 O14 V4 -","- C67.9 H102 Mo3 N8 O14 V4 -","- C135.8 H204 Mo6 N16 O28 V8 -","2","1","","Huang, Yichao; Zhang, Jiangwei; Ge, Jingxuan; Sui, Chong; Hao, Jian; Wei, Yongge","[V4Mo3O14(NAr)3(μ2-NAr)3](2-): the first polyarylimido-stabilized molybdovanadate cluster.","Chemical communications (Cambridge, England)","2017","53","17","2551","2554","10.1039/c7cc00166e","","","0.71073","MoKα","","0.0584","0.0424","","","0.0975","0.1011","","","","","","1.026","","","","has coordinates,has disorder","193672","2020-10-21","18:00:00",""
"7119519","29.2304","0.0018","18.5275","0.001","27.1217","0.0013","90","","113.089","0.007","90","","13511.6","1.5","102.8","","102.8","","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","Mo5V1","","- C48 H107 Mo5 N3 O19 V -","- C48 H107 Mo4.882 N3 O19 V1.118 -","- C384 H856 Mo39.056 N24 O152 V8.944 -","8","1","","Huang, Yichao; Zhang, Jiangwei; Ge, Jingxuan; Sui, Chong; Hao, Jian; Wei, Yongge","[V4Mo3O14(NAr)3(μ2-NAr)3](2-): the first polyarylimido-stabilized molybdovanadate cluster.","Chemical communications (Cambridge, England)","2017","53","17","2551","2554","10.1039/c7cc00166e","","","0.71073","MoKα","","0.1266","0.0692","","","0.1556","0.1933","","","","","","1.032","","","","has coordinates,has disorder","193672","2020-10-21","18:00:00",""
"7119520","12.4632","0.0004","14.0872","0.0004","26.255","0.0008","104.468","0.002","96.532","0.002","104.992","0.003","4232.4","0.2","173","0.1","173","0.1","","","","","","","","6","P -1","-P 1","2","","","","- C74 H92 Mo3 N12 O15 V4 -","- C74 H92 Mo3 N12 O15 V4 -","- C148 H184 Mo6 N24 O30 V8 -","2","1","","Huang, Yichao; Zhang, Jiangwei; Ge, Jingxuan; Sui, Chong; Hao, Jian; Wei, Yongge","[V4Mo3O14(NAr)3(μ2-NAr)3](2-): the first polyarylimido-stabilized molybdovanadate cluster.","Chemical communications (Cambridge, England)","2017","53","17","2551","2554","10.1039/c7cc00166e","","","1.54184","CuKα","","0.129","0.0918","","","0.2376","0.2609","","","","","","1.048","","","","has coordinates","193672","2020-10-21","18:00:00",""
"7119521","12.561","0.0003","14.4766","0.0004","25.931","0.0006","103.598","0.002","96.5613","0.0017","105.634","0.002","4333.4","0.2","173","0.1","173","0.1","","","","","","","","6","P -1","-P 1","2","","","","- C80 H104 Mo3 N14 O16 V4 -","- C80 H104 Mo3 N14 O16 V4 -","- C160 H208 Mo6 N28 O32 V8 -","2","1","","Huang, Yichao; Zhang, Jiangwei; Ge, Jingxuan; Sui, Chong; Hao, Jian; Wei, Yongge","[V4Mo3O14(NAr)3(μ2-NAr)3](2-): the first polyarylimido-stabilized molybdovanadate cluster.","Chemical communications (Cambridge, England)","2017","53","17","2551","2554","10.1039/c7cc00166e","","x-ray","1.54184","CuKα","","0.0435","0.0398","","","0.1046","0.1084","","","","","","1.05","","","","has coordinates,has disorder","193672","2020-10-21","18:00:00",""
"7119522","4.5946","0.0006","24.212","0.003","5.7315","0.0008","90","","106.629","0.004","90","","610.93","0.14","120","","120","","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C14 H15 N3 O -","- C14 H15 N3 O -","- C28 H30 N6 O2 -","2","1","","Offiler, Caroline A.; Jones, Christopher D.; Steed, Jonathan W.","Metal 'turn-off', anion 'turn-on' gelation cascade in pyridinylmethyl ureas.","Chemical communications (Cambridge, England)","2017","53","12","2024","2027","10.1039/c6cc09126a","","","0.71073","MoKα","","0.091","0.0586","","","0.1119","0.1218","","","","","","1.023","","","","has coordinates","193722","2020-10-21","18:00:00",""
"7119523","12.4837","0.0007","23.7851","0.0013","8.6713","0.0005","90","","90","","90","","2574.7","0.3","120","2","120","2","","","","","","","","6","P n m a","-P 2ac 2n","62","","","","- C26 H26 Cl2 N6 O2 Zn -","- C26 H26 Cl2 N6 O2 Zn -","- C104 H104 Cl8 N24 O8 Zn4 -","4","0.5","","Offiler, Caroline A.; Jones, Christopher D.; Steed, Jonathan W.","Metal 'turn-off', anion 'turn-on' gelation cascade in pyridinylmethyl ureas.","Chemical communications (Cambridge, England)","2017","53","12","2024","2027","10.1039/c6cc09126a","","","0.71073","MoKα","","0.0707","0.0401","","","0.084","0.0931","","","","","","1.057","","","","has coordinates","193722","2020-10-21","18:00:00",""
"7119524","26.2806","0.0015","10.5229","0.0005","28.8376","0.0016","90","","104.925","0.005","90","","7705.9","0.7","170","","170","","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C148 H166 F24 N14 O33 P4 -","- C148 H166 F24 N14 O33 P4 -","- C296 H332 F48 N28 O66 P8 -","2","0.5","","Wei, Peifa; Wang, Haoze; Jie, Kecheng; Huang, Feihe","Taco complex-templated highly regio- and stereo-selective photodimerization of a coumarin-containing crown ether","Chemical Communications (Cambridge, United Kingdom)","2017","53","10","1688","1691","10.1039/c6cc10089a","","","0.71073","MoKα","","0.1202","0.0799","","","0.2039","0.2361","","","","","","1.033","","","","has coordinates","211011","2020-10-21","18:00:00",""
"7119525","12.9533","0.0007","13.437","0.0006","26.4914","0.0013","82.573","0.004","79.383","0.005","65.221","0.005","4107.7","0.4","170","","170","","","","","","","","","6","P -1","-P 1","2","","","","- C74 H87 F18 N3 O18 P3 -","- C74 H87 F18 N3 O18 P3 -","- C148 H174 F36 N6 O36 P6 -","2","1","","Wei, Peifa; Wang, Haoze; Jie, Kecheng; Huang, Feihe","Taco complex-templated highly regio- and stereo-selective photodimerization of a coumarin-containing crown ether","Chemical Communications (Cambridge, United Kingdom)","2017","53","10","1688","1691","10.1039/c6cc10089a","","","0.71073","MoKα","","0.2134","0.0994","","","0.2748","0.3594","","","","","","1.025","","","","has coordinates","211011","2020-10-21","18:00:00",""
"7119526","9.7951","0.0002","15.626","0.0003","13.7061","0.0003","90","","110.495","0.0013","90","","1965.04","0.07","150","2","150","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","(E)-((1-fluoro-2-(naphthalen-2-yl)vinyl)diphenylphosphine borane","","- C24 H21 B F P -","- C24 H21 B F P -","- C96 H84 B4 F4 P4 -","4","1","","Rousée, Kevin; Pannecoucke, Xavier; Gaumont, Annie-Claude; Lohier, Jean-François; Morlet-Savary, Fabrice; Lalevée, Jacques; Bouillon, Jean-Philippe; Couve-Bonnaire, Samuel; Lakhdar, Sami","Transition metal-free stereospecific access to (E)-(1-fluoro-2-arylvinyl)phosphine borane complexes.","Chemical communications (Cambridge, England)","2017","53","12","2048","2051","10.1039/c6cc09673e","","","0.71073","MoKα","","0.0634","0.0451","","","0.1039","0.1146","","","","","","0.935","","","","has coordinates","193726","2020-10-21","18:00:00",""
"7119527","8.8929","0.0002","9.3285","0.0002","12.026","0.0003","68.322","0.001","83.017","0.001","80.732","0.001","912.89","0.04","150","2","150","2","","","","","","","","6","P -1","-P 1","2","","(E)-((2-(4-chlorophenyl)-1 fluorovinyl)diphenyl phosphine borane","","- C20 H18 B Cl F P -","- C20 H18 B Cl F P -","- C40 H36 B2 Cl2 F2 P2 -","2","1","","Rousée, Kevin; Pannecoucke, Xavier; Gaumont, Annie-Claude; Lohier, Jean-François; Morlet-Savary, Fabrice; Lalevée, Jacques; Bouillon, Jean-Philippe; Couve-Bonnaire, Samuel; Lakhdar, Sami","Transition metal-free stereospecific access to (E)-(1-fluoro-2-arylvinyl)phosphine borane complexes.","Chemical communications (Cambridge, England)","2017","53","12","2048","2051","10.1039/c6cc09673e","","","0.71073","MoKα","","0.0389","0.0343","","","0.097","0.1011","","","","","","1.048","","","","has coordinates","193726","2020-10-21","18:00:00",""
"7119528","11.872","0.0004","12.1211","0.0004","13.7228","0.0005","90","","112.155","0.0013","90","","1828.93","0.11","150","2","150","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","(E)-((2-(3-chlorophenyl)-1 fluorovinyl)diphenyl phosphine borane","","- C20 H18 B Cl F P -","- C20 H18 B Cl F P -","- C80 H72 B4 Cl4 F4 P4 -","4","1","","Rousée, Kevin; Pannecoucke, Xavier; Gaumont, Annie-Claude; Lohier, Jean-François; Morlet-Savary, Fabrice; Lalevée, Jacques; Bouillon, Jean-Philippe; Couve-Bonnaire, Samuel; Lakhdar, Sami","Transition metal-free stereospecific access to (E)-(1-fluoro-2-arylvinyl)phosphine borane complexes.","Chemical communications (Cambridge, England)","2017","53","12","2048","2051","10.1039/c6cc09673e","","","0.71073","MoKα","","0.0451","0.039","","","0.1014","0.1059","","","","","","1.078","","","","has coordinates","193726","2020-10-21","18:00:00",""
"7119529","26.3419","0.0012","10.5684","0.0005","19.9298","0.0009","90","","131.599","0.001","90","","4149.1","0.3","296","2","296","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C22 H16 F3 N2 O5.5 -","- C22 H16 F3 N2 O5.5 -","- C176 H128 F24 N16 O44 -","8","1","","Ling, Peng-Xiang; Chen, Kai; Shi, Bing-Feng","Palladium-catalyzed interannular meta-C-H arylation.","Chemical communications (Cambridge, England)","2017","53","13","2166","2169","10.1039/c7cc00110j","","","0.71073","MoKα","","0.1042","0.05","","","0.1269","0.1755","","","","","","1.001","","","","has coordinates","206958","2020-10-21","18:00:00",""
"7119530","14.6512","0.0011","20.1004","0.0015","17.7586","0.0013","90","","92.884","0.007","90","","5223.2","0.7","293","2","293.15","","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C44 H40 F6 N6 O2 Pd2 -","- C44 H40 F6 N6 O2 Pd2 -","- C176 H160 F24 N24 O8 Pd8 -","4","0.5","","Ling, Peng-Xiang; Chen, Kai; Shi, Bing-Feng","Palladium-catalyzed interannular meta-C-H arylation.","Chemical communications (Cambridge, England)","2017","53","13","2166","2169","10.1039/c7cc00110j","","","0.71073","MoKα","","0.1159","0.0954","","","0.2537","0.2782","","","","","","1.036","","","","has coordinates","193687","2020-10-21","18:00:00",""
"7119531","15.804","0.003","10.785","0.002","8.1924","0.0016","90","","99.1","0.03","90","","1378.8","0.5","153.15","","153.15","","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","2-MTPNE","","- C6 H9 N17 -","- C6 H9 N17 -","- C24 H36 N68 -","4","1","","Wang, Qi; Pang, Fuqing; Wang, Guilong; Huang, Jinglun; Nie, Fude; Chen, Fu-Xue","Pentazadiene: a high-nitrogen linkage in energetic materials.","Chemical communications (Cambridge, England)","2017","53","15","2327","2330","10.1039/c6cc08179g","","","0.71073","MoKα","","0.1853","0.1663","","","0.4342","0.4465","","","","","","1.205","","","","has coordinates","193702","2020-10-21","18:00:00",""
"7119532","8.9736","0.0014","9.2504","0.0014","12.5314","0.0019","75.006","0.003","74.557","0.002","68.346","0.002","916.8","0.2","150","2","150","2","","","","","","","","4","P -1","-P 1","2","","","","- C20 H24 N2 O3 -","- C20 H24 N2 O3 -","- C40 H48 N4 O6 -","2","1","","Santhini, P. V.; Nimisha, G.; John, Jubi; Suresh, E.; Varma, R. Luxmi; Radhakrishnan, K. V.","Pd-Catalyzed oxidative annulation of enamides with diazabicyclic olefins: rapid access to cyclopentene fused 2-pyrrolines.","Chemical communications (Cambridge, England)","2017","53","11","1848","1851","10.1039/c6cc08753a","","","0.71073","MoKα","","0.0856","0.0702","","","0.1483","0.1546","","","","","","1.149","","","","has coordinates","191489","2020-10-21","18:00:00",""
"7119533","9.1842","0.0003","19.7301","0.0008","15.4288","0.0006","90","","98.875","0.002","90","","2762.31","0.18","296","2","296","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C25 H35 N3 O5 -","- C25 H35 N3 O5 -","- C100 H140 N12 O20 -","4","1","","Santhini, P. V.; Nimisha, G.; John, Jubi; Suresh, E.; Varma, R. Luxmi; Radhakrishnan, K. V.","Pd-Catalyzed oxidative annulation of enamides with diazabicyclic olefins: rapid access to cyclopentene fused 2-pyrrolines.","Chemical communications (Cambridge, England)","2017","53","11","1848","1851","10.1039/c6cc08753a","","","0.71073","MoKα","","0.0801","0.0552","","","0.1359","0.1598","","","","","","1.065","","","","has coordinates","191489","2020-10-21","18:00:00",""
"7119534","5.08431","0.00014","8.6121","0.00017","9.6766","0.0002","74.5011","0.0019","76.1455","0.0018","74.488","0.003","386.933","0.017","","","","","","","","","","","","3","P -1","-P 1","2","","","","- O9 P2 Ti2 -","- O4.5 P Ti -","- O18 P4 Ti4 -","4","2","","García-Glez, Jorge; Amghouz, Zakariae; da Silva, Iván; Ania, Conchi O.; Parra, José B; Trobajo, Camino; García-Granda, Santiago","The ability of a fibrous titanium oxophosphate for nitrogen-adsorption above room temperature.","Chemical communications (Cambridge, England)","2017","53","14","2249","2251","10.1039/c6cc07518e","powder diffraction","","1.5406","Cuα~1~","","2.64843","","","","","","","","2.31597","","","","","","","has coordinates","193697","2020-10-21","18:00:00",""
"7119535","18.0767","0.001","10.7938","0.0006","8.1475","0.0005","90","","91.976","0.001","90","","1588.76","0.16","296","2","296","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C17 H17 N O3 S -","- C17 H17 N O3 S -","- C68 H68 N4 O12 S4 -","4","1","","Wang, Li-Jing; Chen, Manman; Qi, Lin; Xu, Zhidong; Li, Wei","Copper-mediated oxysulfonylation of alkenyl oximes with sodium sulfinates: a facile synthesis of isoxazolines featuring a sulfone substituent.","Chemical communications (Cambridge, England)","2017","53","12","2056","2059","10.1039/c7cc00090a","","","0.71073","MoKα","","0.0684","0.0423","","","0.1072","0.1211","","","","","","1.025","","","","has coordinates","193727","2020-10-21","18:00:00",""
"7119536","17.92851","0.00019","18.50308","0.00019","24.9906","0.0002","93.4898","0.0008","107.038","0.0009","108.177","0.0009","7424.19","0.14","110","2","110","2","","","","","","","","7","P -1","-P 1","2","","","","- C154.9 H130.62 B2 F40 N7 O Re -","- C154.898 H130.624 B2 F40 N7 O Re -","- C309.796 H261.248 B4 F80 N14 O2 Re2 -","2","1","","Joslin, Evan E.; Zaragoza, Jan Paulo T.; Siegler, Maxime A.; Goldberg, David P.","meso-N-Methylation of a porphyrinoid complex: activating the H-atom transfer capability of an inert Re(V)(O) corrolazine.","Chemical communications (Cambridge, England)","2017","53","12","1961","1964","10.1039/c6cc09341h","","","1.54178","CuKα","","0.0394","0.0356","","","0.0938","0.0984","","","","","","1.04","","","","has coordinates,has disorder","193723","2020-10-21","18:00:00",""
"7119537","36.595","0.007","37.093","0.007","52.527","0.011","90","0.03","107.21","0.03","90","0.03","68109","3","298","","298","","","","","","","","","9","P 1 21/n 1","-P 2yn","14","triple decker porphyrin","","","- C273.9 H317.4 Au Cl29.2 Cu2 N24 O63.5 P4 S4 -","- C273.9 H309.4 Au Cl29.2 Cu2 N24 O63.5 P4 S4 -","- C2191.2 H2475.2 Au8 Cl233.6 Cu16 N192 O508 P32 S32 -","8","2","","Mihara, Nozomi; Yamada, Yasuyuki; Akine, Shigehisa; Sugimoto, Kunihisa; Tanaka, Kentaro","Electronic perturbation of supramolecular conjugates of porphyrins and phthalocyanines.","Chemical communications (Cambridge, England)","2017","53","14","2230","2232","10.1039/c6cc09590a","","","0.6999","","","0.1493","0.1068","","","0.26","0.278","","","","","","1.834","","","","has coordinates,has disorder","193696","2020-10-21","18:00:00",""
"7119538","4.8916","0.001","16.862","0.003","10.63","0.002","90","","95.71","0.03","90","","872.4","0.3","293","2","293","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C23 H18 N2 O2 -","- C23 H18 N2 O2 -","- C46 H36 N4 O4 -","2","1","","Bai, Binglian; Zhang, Mingang; Ji, Nan; Wei, Jue; Wang, Haitao; Li, Min","E-Z isomerization of the -C[double bond, length as m-dash]N- bond in anthracene-based acylhydrazone derivatives under visible light.","Chemical communications (Cambridge, England)","2017","53","18","2693","2696","10.1039/c6cc08403f","","","0.71073","MoKα","","0.0546","0.0396","","","0.0898","0.0945","","","","","","1.032","","","","has coordinates","193714","2020-10-21","18:00:00",""
"7119539","15.4686","0.0019","17.485","0.002","19.258","0.002","72.157","0.004","88.111","0.005","73.892","0.005","4755.8","1","173","2","173","2","","","","","","","","5","P -1","-P 1","2","","","","- C100 H150 O16 Os8 S16 -","- C93.5 O8 Os4 S8 -","- C187 O16 Os8 S16 -","2","1","","Tso, Ken Chi-Hang; Chan, Sharon Lai-Fung; Huang, Jie-Sheng; Che, Chi-Ming","Wheel-to-rhomboid isomerization as well as nitrene transfer catalysis of ruthenium-thiolate wheels.","Chemical communications (Cambridge, England)","2017","53","16","2419","2422","10.1039/c6cc09903c","","","1.54178","CuKα","","0.0547","0.0483","","","0.1318","0.1397","","","","","","1.001","","","","has coordinates","193680","2020-10-21","18:00:00",""
"7119540","15.7927","0.0007","18.7549","0.0008","19.7968","0.0009","100.823","0.002","99.39","0.002","92.923","0.002","5662","0.4","100","2","100","2","","","","","","","","7","P -1","-P 1","2","","","","- C182 H214 Ag Cl19 O18 Ru8 S16 -","- C182 H214 Ag Cl19 O18 Ru8 S16 -","- C182 H214 Ag Cl19 O18 Ru8 S16 -","1","0.5","","Tso, Ken Chi-Hang; Chan, Sharon Lai-Fung; Huang, Jie-Sheng; Che, Chi-Ming","Wheel-to-rhomboid isomerization as well as nitrene transfer catalysis of ruthenium-thiolate wheels.","Chemical communications (Cambridge, England)","2017","53","16","2419","2422","10.1039/c6cc09903c","","","1.54178","CuKα","","0.1527","0.139","","","0.3581","0.3798","","","","","","1.788","","","","has coordinates,has disorder","193680","2020-10-21","18:00:00",""
"7119541","26.825","0.0013","14.8903","0.0007","22.4731","0.0011","90","","115.102","0.002","90","","8128.7","0.7","293","2","293.15","","","","","","","","","8","C 1 2/c 1","-C 2yc","15","","","","- C31 H25 Ag2 B F8 N4 O6 S2 -","- C31 H25 Ag2 B F8 N4 O6 S2 -","- C248 H200 Ag16 B8 F64 N32 O48 S16 -","8","1","","Pinto, Miguel N.; Chakraborty, Indranil; Schultz-Simonton, Wiley; Rojas-Andrade, Mauricio; Braslau, Rebecca; Mascharak, Pradip K.","Tracking silver delivery to bacteria using turn-on fluorescence.","Chemical communications (Cambridge, England)","2017","53","9","1459","1462","10.1039/c6cc07463d","","","0.71073","synchrotron","","0.0868","0.0742","","","0.2462","0.2626","","","","","","1.137","","","","has coordinates","211332","2020-10-21","18:00:00",""
"7119542","20.2206","0.0011","9.2842","0.0005","8.5994","0.0005","90","","90","","90","","1614.38","0.16","296","2","296","2","","","","","","","","5","P n a 21","P 2c -2n","33","","","","- C18 H16 B F4 N -","- C18 H16 B F4 N -","- C72 H64 B4 F16 N4 -","4","1","","Upadhyay, Nitinkumar Satyadev; Jayakumar, Jayachandran; Cheng, Chien-Hong","Facile one-pot synthesis of 2,3-dihydro-1H-indolizinium derivatives by rhodium(iii)-catalyzed intramolecular oxidative annulation via C-H activation: application to ficuseptine synthesis.","Chemical communications (Cambridge, England)","2017","53","16","2491","2494","10.1039/c7cc00008a","","","0.71073","MoKα","","0.0769","0.0511","","","0.1324","0.1486","","","","","","1.037","","","","has coordinates,has disorder","193685","2020-10-21","18:00:00",""
"7119543","9.1646","0.0003","12.5454","0.0005","17.8461","0.0003","87.399","0.002","77.495","0.002","75.6","0.003","1940.14","0.11","150","","150","","","","","","","","","6","P -1","-P 1","2","","","","- C36 H66 O2 P2 Sn W -","- C36 H66 O2 P2 Sn W -","- C72 H132 O4 P4 Sn2 W2 -","2","1","","Hill, Anthony F.; Kong, Richard Y.","An anionic nucleophilic d(4) carbyne complex.","Chemical communications (Cambridge, England)","2017","53","12","2032","2035","10.1039/c6cc09718a","","","1.54184","CuKα","","0.0347","0.0322","","0.0838","0.0808","0.0838","","","","","","1.0077","","","","has coordinates","194990","2020-10-21","18:00:00",""
"7119544","10.5933","0.0003","15.6299","0.0005","24.1696","0.0006","90","","99.63","0.003","90","","3945.4","0.2","150","0.1","150","0.1","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C39 H62 O2 P2 Se W -","- C39 H62 O2 P2 Se W -","- C156 H248 O8 P8 Se4 W4 -","4","1","","Hill, Anthony F.; Kong, Richard Y.","An anionic nucleophilic d(4) carbyne complex.","Chemical communications (Cambridge, England)","2017","53","12","2032","2035","10.1039/c6cc09718a","","x-ray","1.54184","CuKα","","0.0608","0.0473","","","0.1105","0.1163","","","","","","1.088","","","","has coordinates","194990","2020-10-21","18:00:00",""
"7119545","10.62715","0.00011","15.6401","0.0002","24.3392","0.0003","90","","100.16","0.0011","90","","3981.97","0.08","150","0.1","150","0.1","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C39 H62 O2 P2 Te W -","- C39 H62 O2 P2 Te W -","- C156 H248 O8 P8 Te4 W4 -","4","1","","Hill, Anthony F.; Kong, Richard Y.","An anionic nucleophilic d(4) carbyne complex.","Chemical communications (Cambridge, England)","2017","53","12","2032","2035","10.1039/c6cc09718a","","x-ray","1.54184","CuKα","","0.0391","0.0356","","","0.0936","0.0975","","","","","","1.042","","","","has coordinates","194990","2020-10-21","18:00:00",""
"7119546","10.90249","0.00014","14.2449","0.00018","22.5025","0.0003","90","","97.8393","0.0013","90","","3462.09","0.08","150.01","0.1","150.01","0.1","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C33 H57 Cl O2 P2 W -","- C33 H57 Cl O2 P2 W -","- C132 H228 Cl4 O8 P8 W4 -","4","1","","Hill, Anthony F.; Kong, Richard Y.","An anionic nucleophilic d(4) carbyne complex.","Chemical communications (Cambridge, England)","2017","53","12","2032","2035","10.1039/c6cc09718a","","x-ray","1.54184","CuKα","","0.0639","0.0613","","","0.1495","0.1507","","","","","","1.159","","","","has coordinates,has disorder","194990","2020-10-21","18:00:00",""
"7119547","10.8206","0.0005","14.492","0.0005","22.3551","0.0009","90","","96.561","0.004","90","","3482.6","0.2","150.01","0.1","150.01","0.1","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C33 H55 Br O2 P2 W -","- C33 H56.028 Br O2 P2 W -","- C132 H224.112 Br4 O8 P8 W4 -","4","1","","Hill, Anthony F.; Kong, Richard Y.","An anionic nucleophilic d(4) carbyne complex.","Chemical communications (Cambridge, England)","2017","53","12","2032","2035","10.1039/c6cc09718a","","x-ray","0.71073","MoKα","","0.0747","0.0411","","","0.0896","0.1101","","","","","","1.049","","","","has coordinates,has disorder","194990","2020-10-21","18:00:00",""
"7119548","21.70419","0.0002","20.77394","0.00016","18.14956","0.00016","90","","106.336","0.001","90","","7852.92","0.12","150.01","0.1","150.01","0.1","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C39 H62 O2 P2 S W -","- C39 H62 O2 P2 S W -","- C312 H496 O16 P16 S8 W8 -","8","2","","Hill, Anthony F.; Kong, Richard Y.","An anionic nucleophilic d(4) carbyne complex.","Chemical communications (Cambridge, England)","2017","53","12","2032","2035","10.1039/c6cc09718a","","x-ray","1.54184","CuKα","","0.0582","0.0478","","","0.1023","0.1094","","","","","","1.05","","","","has coordinates","194990","2020-10-21","18:00:00",""
"7119549","8.5607","0.0002","14","0.0003","14.277","0.0002","90","","106.91","0.001","90","","1637.11","0.06","133","2","133","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C13 H22 I N3 O4 -","- C13 H22 I N3 O4 -","- C52 H88 I4 N12 O16 -","4","1","","Tepper, Ronny; Schulze, Benjamin; Bellstedt, Peter; Heidler, Jan; Görls, Helmar; Jäger, Michael; Schubert, Ulrich S.","Halogen-bond-based cooperative ion-pair recognition by a crown-ether-embedded 5-iodo-1,2,3-triazole.","Chemical communications (Cambridge, England)","2017","53","14","2260","2263","10.1039/c6cc09749a","","","0.71073","MoKα","","0.0166","0.0154","","","0.0337","0.0342","","","","","","1.11","","","","has coordinates","193693","2020-10-21","18:00:00",""
"7119550","4.685","0.0003","9.3425","0.0008","17.35","0.0014","90.082","0.005","90.335","0.0007","104.252","0.003","736.01","0.1","133","2","133","2","","","","","","","","4","P -1","-P 1","2","","","","- C13 H23 N3 O4 -","- C13 H23 N3 O4 -","- C26 H46 N6 O8 -","2","1","","Tepper, Ronny; Schulze, Benjamin; Bellstedt, Peter; Heidler, Jan; Görls, Helmar; Jäger, Michael; Schubert, Ulrich S.","Halogen-bond-based cooperative ion-pair recognition by a crown-ether-embedded 5-iodo-1,2,3-triazole.","Chemical communications (Cambridge, England)","2017","53","14","2260","2263","10.1039/c6cc09749a","","","0.71073","MoKα","","0.1093","0.0936","","","0.2438","0.2528","","","","","","1.14","","","","has coordinates","193693","2020-10-21","18:00:00",""
"7119551","9.6377","0.0008","13.88","0.0009","10.0595","0.0008","90","","117.921","0.003","90","","1189.03","0.16","133","2","133","2","","","","","","","","7","P 1 21 1","P 2yb","4","","","","- C13 H23 F12 N3 Na2 O4 P2 -","- C13 H23 F12 N3 Na2 O4 P2 -","- C26 H46 F24 N6 Na4 O8 P4 -","2","1","","Tepper, Ronny; Schulze, Benjamin; Bellstedt, Peter; Heidler, Jan; Görls, Helmar; Jäger, Michael; Schubert, Ulrich S.","Halogen-bond-based cooperative ion-pair recognition by a crown-ether-embedded 5-iodo-1,2,3-triazole.","Chemical communications (Cambridge, England)","2017","53","14","2260","2263","10.1039/c6cc09749a","","","0.71073","MoKα","","0.1086","0.0966","","","0.266","0.2759","","","","","","1.052","","","","has coordinates,has disorder","193693","2020-10-21","18:00:00",""
"7119552","19.2642","0.0003","15.3487","0.0003","25.2243","0.0004","90","","110.456","0.001","90","","6988","0.2","133","2","133","2","","","","","","","","7","C 1 2/c 1","-C 2yc","15","","","","- C74 H84 B2 I2 N6 Na2 O8 -","- C74 H84 B2 I2 N6 Na2 O8 -","- C296 H336 B8 I8 N24 Na8 O32 -","4","0.5","","Tepper, Ronny; Schulze, Benjamin; Bellstedt, Peter; Heidler, Jan; Görls, Helmar; Jäger, Michael; Schubert, Ulrich S.","Halogen-bond-based cooperative ion-pair recognition by a crown-ether-embedded 5-iodo-1,2,3-triazole.","Chemical communications (Cambridge, England)","2017","53","14","2260","2263","10.1039/c6cc09749a","","","0.71073","MoKα","","0.0303","0.026","","","0.0528","0.0547","","","","","","1.088","","","","has coordinates","193693","2020-10-21","18:00:00",""
"7119553","11.5912","0.0002","15.1724","0.0003","14.1141","0.0003","90","","90.364","0.001","90","","2482.14","0.08","133","2","133","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C13 H28 I3 N3 Na2 O7 -","- C13 H28 I3 N3 Na2 O7 -","- C52 H112 I12 N12 Na8 O28 -","4","1","","Tepper, Ronny; Schulze, Benjamin; Bellstedt, Peter; Heidler, Jan; Görls, Helmar; Jäger, Michael; Schubert, Ulrich S.","Halogen-bond-based cooperative ion-pair recognition by a crown-ether-embedded 5-iodo-1,2,3-triazole.","Chemical communications (Cambridge, England)","2017","53","14","2260","2263","10.1039/c6cc09749a","","","0.71073","MoKα","","0.0276","0.0254","","","0.06","0.0611","","","","","","1.171","","","","has coordinates,has disorder","291143","2024-04-09","08:48:44",""
"7119554","13.873","0.002","17.388","0.003","22.812","0.004","90","","91.73","0.02","90","","5500.3","1.6","100","2","100","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C55 H86 Al2 Cl3 N3 -","- C55 H86 Al2 Cl3 N3 -","- C220 H344 Al8 Cl12 N12 -","4","1","","Li, Bin; Kundu, Subrata; Zhu, Hongping; Keil, Helena; Herbst-Irmer, Regine; Stalke, Dietmar; Frenking, Gernot; Andrada, Diego M.; Roesky, Herbert W.","An open route to asymmetric substituted Al-Al bonds using Al(i)- and Al(iii)-precursors.","Chemical communications (Cambridge, England)","2017","53","17","2543","2546","10.1039/c7cc00325k","","","0.71073","MoKα","","0.0773","0.0696","","","0.1545","0.1572","","","","","","1.238","","","","has coordinates,has disorder","193669","2020-10-21","18:00:00",""
"7119555","10.457","0.002","19.397","0.002","29.51","0.003","90","","97.95","0.02","90","","5928.1","1.5","100","2","100","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C59.5 H84 Al2 I3 N3 -","- C59.5 H84 Al2 I3 N3 -","- C238 H336 Al8 I12 N12 -","4","1","","Li, Bin; Kundu, Subrata; Zhu, Hongping; Keil, Helena; Herbst-Irmer, Regine; Stalke, Dietmar; Frenking, Gernot; Andrada, Diego M.; Roesky, Herbert W.","An open route to asymmetric substituted Al-Al bonds using Al(i)- and Al(iii)-precursors.","Chemical communications (Cambridge, England)","2017","53","17","2543","2546","10.1039/c7cc00325k","","","0.71073","MoKα","","0.0353","0.0285","","","0.0648","0.0685","","","","","","1.073","","","","has coordinates,has disorder","193669","2020-10-21","18:00:00",""
"7119556","9.092","0.002","17.918","0.003","15.271","0.002","90","","94.99","0.02","90","","2478.4","0.8","100","2","100","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C20 H31 Al I3 N -","- C20 H31 Al I3 N -","- C80 H124 Al4 I12 N4 -","4","1","","Li, Bin; Kundu, Subrata; Zhu, Hongping; Keil, Helena; Herbst-Irmer, Regine; Stalke, Dietmar; Frenking, Gernot; Andrada, Diego M.; Roesky, Herbert W.","An open route to asymmetric substituted Al-Al bonds using Al(i)- and Al(iii)-precursors.","Chemical communications (Cambridge, England)","2017","53","17","2543","2546","10.1039/c7cc00325k","","","0.56086","AgKα","","0.0208","0.0157","","","0.0295","0.031","","","","","","1.042","","","","has coordinates","193669","2020-10-21","18:00:00",""
"7119557","14.82","0.003","16.5","0.003","18.544","0.004","111.009","0.006","91.666","0.006","95.996","0.005","4199.1","1.5","150","2","150","2","","","","","","","","6","P -1","-P 1","2","","","","- C78 H60 Cl2 Fe N18 O26 -","- C78 H60 Cl2 Fe N18 O26 -","- C156 H120 Cl4 Fe2 N36 O52 -","2","1","","Naskar, Sourenjit; Dalal, Chumki; Ghosh, Pradyut","Ion-pair coordination driven stimuli-responsive one-dimensional supramolecular helicate.","Chemical communications (Cambridge, England)","2017","53","16","2487","2490","10.1039/c7cc00262a","","","0.71073","MoKα","","0.1107","0.0624","","","0.16","0.1825","","","","","","0.959","","","","has coordinates","193684","2020-10-21","18:00:00",""
"7119558","13.392","0.002","25.49","0.004","23.092","0.004","90","","101.131","0.004","90","","7734","2","150","2","150","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C78 H60 Cl2 Fe N18 O22 -","- C78 H60 Cl2 Fe N18 O22 -","- C312 H240 Cl8 Fe4 N72 O88 -","4","1","","Naskar, Sourenjit; Dalal, Chumki; Ghosh, Pradyut","Ion-pair coordination driven stimuli-responsive one-dimensional supramolecular helicate.","Chemical communications (Cambridge, England)","2017","53","16","2487","2490","10.1039/c7cc00262a","","","0.71073","MoKα","","0.1087","0.0564","","","0.1399","0.1741","","","","","","0.977","","","","has coordinates","193684","2020-10-21","18:00:00",""
"7119559","4.5331","0.0017","17.68","0.007","20.869","0.008","80.469","0.008","86.916","0.009","86.498","0.009","1644.8","1.1","150","2","150","2","","","","","","","","5","P -1","-P 1","2","","","","- C30 H32 N6 O10 S2 -","- C30 H32 N6 O10 S2 -","- C60 H64 N12 O20 S4 -","2","1","","Naskar, Sourenjit; Dalal, Chumki; Ghosh, Pradyut","Ion-pair coordination driven stimuli-responsive one-dimensional supramolecular helicate.","Chemical communications (Cambridge, England)","2017","53","16","2487","2490","10.1039/c7cc00262a","","","0.71073","MoKα","","0.1721","0.0802","","","0.2406","0.3186","","","","","","1.026","","","","has coordinates","193684","2020-10-21","18:00:00",""
"7119560","12.917","0.003","23.857","0.004","10.1194","0.0018","90","","92.282","0.013","90","","3115.9","1.1","163","2","163","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","10-(4-(fluoro(methyl)diphenyl-l5-stibaneyl)phenyl)-1,3,5,5,7,9-hexamethyl-5H-4l4,5l4-dipyrrolo[1,2-c:2',1'-f][1,3,2]diazaborinine","","- C35 H41 B F N2 O Sb -","- C35 H41 B F N2 O Sb -","- C140 H164 B4 F4 N8 O4 Sb4 -","4","1","","Christianson, Anna M.; Gabbaï, François P","Anion sensing with a Lewis acidic BODIPY-antimony(v) derivative.","Chemical communications (Cambridge, England)","2017","53","16","2471","2474","10.1039/c6cc09205e","","","0.71073","MoKα","","0.1327","0.0587","","","0.1153","0.1492","","","","","","0.993","","","","has coordinates","193686","2020-10-21","18:00:00",""
"7119561","50.4025","0.0018","11.0109","0.0004","10.1952","0.0004","90","","97.294","0.001","90","","5612.3","0.4","100","2","100","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","10-(4-(diphenylstibaneyl)phenyl)-1,3,5,5,7,9-hexamethyl-5H-4l4,5l4-dipyrrolo[1,2-c:2',1'-f][1,3,2]diazaborinine","","- C33 H34 B N2 Sb -","- C33 H34 B N2 Sb -","- C264 H272 B8 N16 Sb8 -","8","1","","Christianson, Anna M.; Gabbaï, François P","Anion sensing with a Lewis acidic BODIPY-antimony(v) derivative.","Chemical communications (Cambridge, England)","2017","53","16","2471","2474","10.1039/c6cc09205e","","","0.71073","MoKα","","0.0967","0.0578","","","0.1202","0.1401","","","","","","1.059","","","","has coordinates","193686","2020-10-21","18:00:00",""
"7119562","13.6694","0.0006","24.9626","0.0012","10.0894","0.0005","90","","94.504","0.002","90","","3432.1","0.3","100","2","100","2","","","","","","","","8","P 1 21/c 1","-P 2ybc","14","","[(4-(1,3,5,5,7,9-hexamethyl-5H-4l4,5l4-dipyrrolo[1,2-c:2',1'-f][1,3,2]diazaborinin-10-yl)phenyl)(methyl)diphenylantimony(V)]trifluoromethanesulfonate","","- C35 H37 B F3 N2 O3 S Sb -","- C35 H37 B F3 N2 O3 S Sb -","- C140 H148 B4 F12 N8 O12 S4 Sb4 -","4","1","","Christianson, Anna M.; Gabbaï, François P","Anion sensing with a Lewis acidic BODIPY-antimony(v) derivative.","Chemical communications (Cambridge, England)","2017","53","16","2471","2474","10.1039/c6cc09205e","","","0.71073","MoKα","","0.0577","0.0439","","","0.0901","0.096","","","","","","1.118","","","","has coordinates","193686","2020-10-21","18:00:00",""
"7119563","8.41924","0.00008","18.7237","0.0002","24.1937","0.0002","90","","97.6709","0.0009","90","","3779.75","0.06","100","","100","","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C46 H38 Cl Ir O2 P2 -","- C46 H38 Cl Ir O2 P2 -","- C184 H152 Cl4 Ir4 O8 P8 -","4","1","","Zhang, Yuanyuan; Schley, Nathan D.","Reversible alkoxycarbene formation by C-H activation of ethers via discrete, isolable intermediates.","Chemical communications (Cambridge, England)","2017","53","13","2130","2133","10.1039/c6cc09838j","","x-ray","1.54184","CuKα","","0.0329","0.0301","","","0.0748","0.0766","","","","","","1.059","","","","has coordinates","193688","2020-10-21","18:00:00",""
"7119564","13.2902","0.0002","16.0229","0.0003","16.6282","0.0003","88.68","0.0014","89.2622","0.0014","78.5165","0.0014","3469.01","0.11","100","","100","","","","","","","","","7","P -1","-P 1","2","","","","- C74 H49 B F24 Ir O2.5 P2 -","- C74 H49 B F24 Ir O2.5 P2 -","- C148 H98 B2 F48 Ir2 O5 P4 -","2","1","","Zhang, Yuanyuan; Schley, Nathan D.","Reversible alkoxycarbene formation by C-H activation of ethers via discrete, isolable intermediates.","Chemical communications (Cambridge, England)","2017","53","13","2130","2133","10.1039/c6cc09838j","","x-ray","0.71073","MoKα","","0.0388","0.0325","","","0.0695","0.0719","","","","","","1.051","","","","has coordinates,has disorder","193688","2020-10-21","18:00:00",""
"7119565","14.2753","0.0005","15.5619","0.0003","16.6725","0.0007","91.118","0.003","110.507","0.004","100.549","0.003","3396.4","0.2","100","","100","","","","","","","","","8","P -1","-P 1","2","","","","- C74 H47 B F24 Ir N O2 P2 -","- C74 H47 B F24 Ir N O2 P2 -","- C148 H94 B2 F48 Ir2 N2 O4 P4 -","2","1","","Zhang, Yuanyuan; Schley, Nathan D.","Reversible alkoxycarbene formation by C-H activation of ethers via discrete, isolable intermediates.","Chemical communications (Cambridge, England)","2017","53","13","2130","2133","10.1039/c6cc09838j","","x-ray","0.71073","MoKα","","0.0625","0.0433","","","0.0858","0.0941","","","","","","1.057","","","","has coordinates,has disorder","193688","2020-10-21","18:00:00",""
"7119566","14.26025","0.00019","15.46771","0.00019","17.3328","0.0002","90.9277","0.001","110.582","0.0012","103.184","0.0011","3465.26","0.08","100","","100","","","","","","","","","8","P -1","-P 1","2","","","","- C74 H47 B F24 Ir N O2 P2 -","- C74 H47 B F24 Ir N O2 P2 -","- C148 H94 B2 F48 Ir2 N2 O4 P4 -","2","1","","Zhang, Yuanyuan; Schley, Nathan D.","Reversible alkoxycarbene formation by C-H activation of ethers via discrete, isolable intermediates.","Chemical communications (Cambridge, England)","2017","53","13","2130","2133","10.1039/c6cc09838j","","x-ray","1.54184","CuKα","","0.043","0.0393","","","0.0969","0.0997","","","","","","1.032","","","","has coordinates,has disorder","193688","2020-10-21","18:00:00",""
"7119567","25.3","0.004","25.3","0.004","64.395","0.013","90","","90","","120","","35696","11","293","2","293","2","","","","","","","","7","R -3 :H","-R 3","148","lanthanide tetrahedron","Eu4L6","","- C180 H132 Eu4 F36 N36 O63 S12 -","- C180.001 H132 Eu4 F36.003 N36 O63.003 S12.001 -","- C1080.01 H792 Eu24 F216.018 N216 O378.018 S72.006 -","6","0.333333","","Liu, Cui-Lian; Zhou, Li-Peng; Tripathy, Debakanta; Sun, Qing-Fu","Self-assembly of stable luminescent lanthanide supramolecular M4L6 cages with sensing properties toward nitroaromatics.","Chemical communications (Cambridge, England)","2017","53","16","2459","2462","10.1039/c7cc00189d","","","0.97944","synchrotron","","0.1032","0.0965","","","0.2999","0.3103","","","","","","1.444","","","","has coordinates","193682","2020-10-21","18:00:00",""
"7119568","6.2849","0.0004","8.8158","0.0005","6.6483","0.0004","90","","96.781","0.003","90","","365.78","0.04","150","2","150","2","","","","","","","","5","P 1 21/m 1","-P 2yb","11","","tert-Butyl(Imino)(methyl)-λ6-sulfanone","","- C5 H13 N O S -","- C5 H13 N O S -","- C10 H26 N2 O2 S2 -","2","0.5","","Lohier, Jean-François; Glachet, Thomas; Marzag, Hamid; Gaumont, Annie-Claude; Reboul, Vincent","Mechanistic investigation of the NH-sulfoximination of sulfide. Evidence for λ(6)-sulfanenitrile intermediates.","Chemical communications (Cambridge, England)","2017","53","12","2064","2067","10.1039/c6cc09940h","","","0.71073","MoKα","","0.032","0.0303","","","0.0861","0.0874","","","","","","1.14","","","","has coordinates","193724","2020-10-21","18:00:00",""
"7119569","6.714","0.0003","6.7632","0.0003","27.8703","0.0012","90","","90","","90","","1265.54","0.1","150","2","150","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","tert-butyl(1-methyl-1-oxido-3-oxo-3,4,5,6-tetrahydro-2-thiazin-4-yl)carbamate","","- C10 H18 N2 O4 S -","- C10 H18 N2 O4 S -","- C40 H72 N8 O16 S4 -","4","1","","Lohier, Jean-François; Glachet, Thomas; Marzag, Hamid; Gaumont, Annie-Claude; Reboul, Vincent","Mechanistic investigation of the NH-sulfoximination of sulfide. Evidence for λ(6)-sulfanenitrile intermediates.","Chemical communications (Cambridge, England)","2017","53","12","2064","2067","10.1039/c6cc09940h","","","0.71073","MoKα","","0.0398","0.0314","","","0.069","0.0731","","","","","","1.038","","","","has coordinates","193724","2020-10-21","18:00:00",""
"7119570","10.6636","0.0003","13.5571","0.0003","21.8099","0.0008","90","","90","","90","","3153","0.16","295.3","1","295.3","1","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C32 H38 N2 O7 -","- C32 H38 N2 O7 -","- C128 H152 N8 O28 -","4","1","","Zhou, Yuhang; Lu, Yan; Hu, Xinyue; Mei, Hongjiang; Lin, Lili; Liu, Xiaohua; Feng, Xiaoming","Highly diastereo- and enantioselective synthesis of spirooxindole-cyclohexaneamides through N,N'-dioxide/Ni(ii)-catalyzed Diels-Alder reactions.","Chemical communications (Cambridge, England)","2017","53","12","2060","2063","10.1039/c6cc10125a","","x-ray","1.54184","CuKα","","0.0712","0.0664","","","0.1833","0.1914","","","","","","1.034","","","","has coordinates","193718","2020-10-21","18:00:00",""
"7119571","14.196","0.0004","10.2666","0.0004","22.5256","0.0006","90","","104.088","0.003","90","","3184.24","0.18","293","1","293","1","","","","","","","","5","I 1 2 1","I 2y","5","","","","- C32 H35 Cl N2 O7 -","- C32 H35 Cl N2 O7 -","- C128 H140 Cl4 N8 O28 -","4","1","","Zhou, Yuhang; Lu, Yan; Hu, Xinyue; Mei, Hongjiang; Lin, Lili; Liu, Xiaohua; Feng, Xiaoming","Highly diastereo- and enantioselective synthesis of spirooxindole-cyclohexaneamides through N,N'-dioxide/Ni(ii)-catalyzed Diels-Alder reactions.","Chemical communications (Cambridge, England)","2017","53","12","2060","2063","10.1039/c6cc10125a","","x-ray","1.54184","CuKα","","0.0635","0.0614","","","0.1688","0.1738","","","","","","1.055","","","","has coordinates","193718","2020-10-21","18:00:00",""
"7119572","5.8271","0.0007","12.4492","0.0014","16.779","0.002","90","","90","","90","","1217.2","0.2","100","2","100","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C15 H12 N4 -","- C15 H12 N4 -","- C60 H48 N16 -","4","1","","Fauché, Kévin; Nauton, Lionel; Jouffret, Laurent; Cisnetti, Federico; Gautier, Arnaud","A catalytic intramolecular nitrene insertion into a copper(i)-N-heterocyclic carbene bond yielding fused nitrogen heterocycles.","Chemical communications (Cambridge, England)","2017","53","15","2402","2405","10.1039/c6cc09160a","","","0.71073","MoKα","","0.0369","0.0339","","","0.0923","0.0949","","","","","","1.068","","","","has coordinates","193701","2020-10-21","18:00:00",""
"7119573","8.4826","0.0014","9.7874","0.0017","11.235","0.002","65.594","0.009","73.444","0.009","86.297","0.009","812.7","0.3","100","2","100","2","","","","","","","","5","P -1","-P 1","2","Ag2(?-Cl)2(NHC-N3)2","","","- C32 H26 Ag2 Cl2 N10 -","- C32 H26 Ag2 Cl2 N10 -","- C32 H26 Ag2 Cl2 N10 -","1","0.5","","Fauché, Kévin; Nauton, Lionel; Jouffret, Laurent; Cisnetti, Federico; Gautier, Arnaud","A catalytic intramolecular nitrene insertion into a copper(i)-N-heterocyclic carbene bond yielding fused nitrogen heterocycles.","Chemical communications (Cambridge, England)","2017","53","15","2402","2405","10.1039/c6cc09160a","","","0.71073","MoKα","","0.0429","0.033","","","0.0758","0.0814","","","","","","1.055","","","","has coordinates","193701","2020-10-21","18:00:00",""
"7119574","18.698","0.007","19.292","0.007","19.383","0.007","90","","91.045","0.004","90","","6991","4","298","2","298","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C56 H66 Fe4 N6 O22 -","- C56 H66 Fe4 N6 O22 -","- C224 H264 Fe16 N24 O88 -","4","1","","Li, Yun-Wu; Yan, Hui; Hu, Tong-Liang; Ma, Hui-Yan; Li, Da-Cheng; Wang, Su-Na; Yao, Qing-Xia; Dou, Jian-Min; Xu, Jian; Bu, Xian-He","Two microporous Fe-based MOFs with multiple active sites for selective gas adsorption.","Chemical communications (Cambridge, England)","2017","53","15","2394","2397","10.1039/c6cc09923h","","","0.71073","MoKα","","0.1715","0.1307","","","0.3411","0.3758","","","","","","1.097","","","","has coordinates","193703","2020-10-21","18:00:00",""
"7119575","13.543","0.0012","19.3401","0.0017","23.223","0.002","90","","123.452","0.003","90","","5075","0.8","298","2","298","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C46 H47 Fe2 N4 Na3 O20 -","- C46 H47 Fe2 N4 Na3 O20 -","- C184 H188 Fe8 N16 Na12 O80 -","4","1","","Li, Yun-Wu; Yan, Hui; Hu, Tong-Liang; Ma, Hui-Yan; Li, Da-Cheng; Wang, Su-Na; Yao, Qing-Xia; Dou, Jian-Min; Xu, Jian; Bu, Xian-He","Two microporous Fe-based MOFs with multiple active sites for selective gas adsorption.","Chemical communications (Cambridge, England)","2017","53","15","2394","2397","10.1039/c6cc09923h","","","0.71073","MoKα","","0.2013","0.0891","","","0.2247","0.2693","","","","","","0.917","","","","has coordinates","193703","2020-10-21","18:00:00",""
"7119576","14.584","0.015","16.369","0.017","10.509","0.012","90","","100.14","0.02","90","","2470","5","293","2","293","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- Ba5 Cu8 In2 S12 -","- Ba5 Cu8 In2 S12 -","- Ba20 Cu32 In8 S48 -","4","0.5","","Lin, Hua; Chen, Hong; Zheng, Yu-Jun; Chen, Yu-Kun; Yu, Ju-Song; Wu, Li-Ming","Ba5Cu8In2S12: a quaternary semiconductor with a unique 3D copper-rich framework and ultralow thermal conductivity.","Chemical communications (Cambridge, England)","2017","53","17","2590","2593","10.1039/c6cc09904a","","","0.71073","MoKα","","0.0565","0.0479","","","0.0787","0.0835","","","","","","1.134","","","","has coordinates","193675","2020-10-21","18:00:00",""
"7119577","9.217","0.004","33.638","0.014","10.663","0.005","90","","100.141","0.007","90","","3254","2","93","","93","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","Zn(DPATpy)(OAc)2","","- C38 H34 N4 O5 Zn -","- C38 H34 N4 O5 Zn -","- C152 H136 N16 O20 Zn4 -","4","1","","Tsukamoto, Takamasa; Aoki, Risa; Sakamoto, Ryota; Toyoda, Ryojun; Shimada, Masaki; Hattori, Yohei; Asaoka, Mizuki; Kitagawa, Yasutaka; Nishibori, Eiji; Nakano, Masayoshi; Nishihara, Hiroshi","A simple zinc(ii) complex that features multi-functional luminochromism induced by reversible ligand dissociation.","Chemical communications (Cambridge, England)","2017","53","26","3657","3660","10.1039/c6cc10190a","","","0.71075","MoKα","","0.1503","0.0766","","","0.1875","0.2784","","","","","","0.978","","","","has coordinates","194964","2020-10-21","18:00:00",""
"7119578","8.5635","0.0003","34.049","0.001","10.7218","0.0003","90","","102.222","0.003","90","","3055.39","0.17","100","","100","","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C37 H30 N4 O4 Zn -","- C37 H30 N4 O4 Zn -","- C148 H120 N16 O16 Zn4 -","4","0.5","","Tsukamoto, Takamasa; Aoki, Risa; Sakamoto, Ryota; Toyoda, Ryojun; Shimada, Masaki; Hattori, Yohei; Asaoka, Mizuki; Kitagawa, Yasutaka; Nishibori, Eiji; Nakano, Masayoshi; Nishihara, Hiroshi","A simple zinc(ii) complex that features multi-functional luminochromism induced by reversible ligand dissociation.","Chemical communications (Cambridge, England)","2017","53","26","3657","3660","10.1039/c6cc10190a","powder diffraction","","0.79683","synchrotron","","0.04","","","","","","0.048","0.048","","","","","","","","has coordinates","211179","2020-10-21","18:00:00",""
"7119579","18.84","0.005","15.678","0.004","20.073","0.006","90","","97.206","0.004","90","","5882","3","93","","93","","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","bis(u-sulfato-k2O)bis(4'-(4-diphenylaminophenyl)-2,2':6',2''-terpyridine-k3N)dizinc","","- C68 H56 N8 O10 S2 Zn2 -","- C68 H56 N8 O10 S2 Zn2 -","- C272 H224 N32 O40 S8 Zn8 -","4","1","","Tsukamoto, Takamasa; Aoki, Risa; Sakamoto, Ryota; Toyoda, Ryojun; Shimada, Masaki; Hattori, Yohei; Asaoka, Mizuki; Kitagawa, Yasutaka; Nishibori, Eiji; Nakano, Masayoshi; Nishihara, Hiroshi","A simple zinc(ii) complex that features multi-functional luminochromism induced by reversible ligand dissociation.","Chemical communications (Cambridge, England)","2017","53","26","3657","3660","10.1039/c6cc10190a","","","0.71075","MoKα","","0.218","0.0986","","","0.1517","0.199","","","","","","1.02","","","","has coordinates","194964","2020-10-21","18:00:00",""
"7119580","10.5841","0.0002","29.3409","0.0006","22.5449","0.0006","90","","114.077","0.002","90","","6392.1","0.3","293","2","293","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","Fe(III) complex 1","","","- C20 H12 Cl5 Fe N2 O2 -","- C20 H12 Cl5 Fe N2 O2 -","- C240 H144 Cl60 Fe12 N24 O24 -","12","3","","Zou, Bi-Qun; Qin, Qi-Pin; Bai, Yu-Xia; Cao, Qian-Qian; Zhang, Ye; Liu, Yan-Cheng; Chen, Zhen-Feng; Liang, Hong","Synthesis and antitumor mechanism of a new iron(iii) complex with 5,7-dichloro-2-methyl-8-quinolinol as ligands","Med. Chem. Commun.","2017","8","3","633","","10.1039/C6MD00644B","","x-ray","0.71073","MoKα","","0.0676","0.0411","","","0.0841","0.0949","","","","","","1.034","","","","has coordinates","195145","2020-10-21","18:00:00",""
"7119581","7.1675","0.0004","13.1365","0.0008","10.0074","0.0006","90","","101.075","0.0019","90","","924.71","0.09","296","2","296","2","","","","","","","","4","P 1 21 1","P 2yb","4","","4-((3-Methyl-2,3-dihydrobenzofuran-3-yl)methyl)-3-phenylisoquinoline","","- C25 H21 N O -","- C25 H21 N O -","- C50 H42 N2 O2 -","2","1","","Yao, Tuanli; Liu, Tao; Zhang, Changhui","Palladium-catalyzed domino Heck/intermolecular cross-coupling: efficient synthesis of 4-alkylated isoquinoline derivatives.","Chemical communications (Cambridge, England)","2017","53","15","2386","2389","10.1039/c6cc10075a","","","0.71073","MoKα","","0.1326","0.0618","","","0.1104","0.1316","","","","","","1.072","","","","has coordinates","193698","2020-10-21","18:00:00",""
"7119582","11.5198","0.0007","16.0676","0.0012","12.8839","0.0007","90","","113.931","0.002","90","","2179.7","0.2","103","2","103","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C28 H19 N3 O2 -","- C28 H19 N3 O2 -","- C112 H76 N12 O8 -","4","1","","Zhu, Chuan; Feng, Chao; Yamane, Motoki","Pd/Cu cooperative catalysis: an efficient synthesis of (3-isoindazolyl)allenes via cross-coupling of 2-alkynyl azobenzenes and terminal alkynes.","Chemical communications (Cambridge, England)","2017","53","17","2606","2609","10.1039/c7cc00562h","","","0.71073","MoKα","","0.0835","0.0543","","","0.147","0.1779","","","","","","1.072","","","","has coordinates","193671","2020-10-21","18:00:00",""
"7119583","11.053","0.0005","9.5096","0.0004","19.5855","0.0009","90","","104.225","0.002","90","","1995.5","0.15","103","2","103","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C28 H20 N2 -","- C28 H20 N2 -","- C112 H80 N8 -","4","1","","Zhu, Chuan; Feng, Chao; Yamane, Motoki","Pd/Cu cooperative catalysis: an efficient synthesis of (3-isoindazolyl)allenes via cross-coupling of 2-alkynyl azobenzenes and terminal alkynes.","Chemical communications (Cambridge, England)","2017","53","17","2606","2609","10.1039/c7cc00562h","","","0.71073","MoKα","","0.0612","0.0486","","","0.1311","0.147","","","","","","1.066","","","","has coordinates","193671","2020-10-21","18:00:00",""
"7119584","25.501","0.007","15.891","0.005","21.48","0.005","90","","137.701","0.008","90","","5858","3","296","","296","","","","","","","","","5","C 1 2/c 1","-C 2yc","15","3Bz","Ethyl 6-(4-chlorophenyl)-2-(4-methoxyphenyl)-4-(4-nitrophenyl)-5-phenylnicotinate","","- C33 H25 Cl N2 O5 -","- C33 H25 Cl N2 O5 -","- C264 H200 Cl8 N16 O40 -","8","1","","Hirai, Sho; Horikawa, Yurie; Asahara, Haruyasu; Nishiwaki, Nagatoshi","Tailor-made synthesis of fully alkylated/arylated nicotinates by FeCl3-mediated condensation of enamino esters with enones.","Chemical communications (Cambridge, England)","2017","53","15","2390","2393","10.1039/c7cc00051k","","","0.71069","MoKα","","","0.0582","","","","0.1893","","","","","","0.911","","","","has coordinates","193704","2020-10-21","18:00:00",""
"7119585","5.1666","0.001","12.446","0.003","25.39","0.005","90","","90","","90","","1632.7","0.6","293","2","293","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C14 H19 Br N4 O2 -","- C14 H19 Br N4 O2 -","- C56 H76 Br4 N16 O8 -","4","1","","Zhu, Chuanle; Chen, Pengquan; Zhu, Rui; Lin, Zhiming; Wu, Wanqing; Jiang, Huanfeng","C[double bond, length as m-dash]N bond formation via palladium-catalyzed carbene insertion into N[double bond, length as m-dash]N bonds: inhibiting the general 1,2-migration process of ylide intermediates.","Chemical communications (Cambridge, England)","2017","53","18","2697","2700","10.1039/c6cc10187a","","","0.71073","MoKα","","0.1708","0.0438","","","0.0753","0.1017","","","","","","0.829","","","","has coordinates","193709","2020-10-21","18:00:00",""
"7119586","13.1893","0.0002","13.5036","0.0003","20.9744","0.0015","89.405","0.006","87.338","0.006","67.798","0.005","3454.8","0.3","85","","85","","","","","","","","","6","P -1","-P 1","2","","6,6""-(2,4,6-trimethylphenylamino terpyridine)-bis-triphenylphosphino-hydrido-ruthenium hexafluorophosphate","","- C83 H80 F6 N5 P3 Ru -","- C83 H80 F6 N5 P3 Ru -","- C166 H160 F12 N10 P6 Ru2 -","2","1","","Dahl, Eric W.; Louis-Goff, Thomas; Szymczak, Nathaniel K.","Second sphere ligand modifications enable a recyclable catalyst for oxidant-free alcohol oxidation to carboxylates.","Chemical communications (Cambridge, England)","2017","53","14","2287","2289","10.1039/c6cc10206a","","","1.54187","CuKα","","0.0781","0.0699","","","0.1881","0.1969","","","","","","1.113","","","","has coordinates,has disorder","193695","2020-10-21","18:00:00",""
"7119587","20.7269","0.0004","21.437","0.0005","22.2463","0.0004","113.71","0.002","96.4927","0.0017","113.636","0.002","7835.2","0.4","85","","85","","","","","","","","","6","P -1","-P 1","2","","6,6""-(2,4,6-trimethylphenylamino terpyridine)-triphenylphosphino-ruthenium dichloride","","- C61 H58 Cl2 N5 P Ru -","- C61 H58 Cl2 N5 P Ru -","- C366 H348 Cl12 N30 P6 Ru6 -","6","3","","Dahl, Eric W.; Louis-Goff, Thomas; Szymczak, Nathaniel K.","Second sphere ligand modifications enable a recyclable catalyst for oxidant-free alcohol oxidation to carboxylates.","Chemical communications (Cambridge, England)","2017","53","14","2287","2289","10.1039/c6cc10206a","","x-ray","1.54184","CuKα","","0.1085","0.084","","","0.2162","0.2548","","","","","","1.012","","","","has coordinates","203412","2020-10-21","18:00:00",""
"7119590","22.891","0.009","10.538","0.002","19.245","0.006","90","","127.27","0.05","90","","3694","3","293","2","293","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C16 H14 Cl Fe0.5 N2 O9 -","- C16 H14 Cl Fe0.5 N2 O9 -","- C128 H112 Cl8 Fe4 N16 O72 -","8","1","","Xiang, Jing; Liu, Jia-Jia; Chen, Xiao-Xiang; Jia, Li-Hui; Yu, Fei; Wang, Bing-Wu; Gao, Song; Lau, Tai-Chu","Slow magnetic relaxation in a mononuclear 8-coordinate Fe(ii) complex.","Chemical communications (Cambridge, England)","2017","53","9","1474","1477","10.1039/c6cc09801k","","","1.54184","CuKα","","0.1873","0.0908","","","0.2364","0.3022","","","","","","0.96","","","","has coordinates","191434","2020-10-21","18:00:00",""
"7119623","14.322","0.0004","17.7665","0.0005","17.7815","0.0005","113.335","0.002","100.303","0.002","93.903","0.002","4038.8","0.2","100","","100","","","","","","","","","6","P -1","-P 1","2","","","","- C152 H144 I10 N24 Na2 O18 -","- C152 H144 I10 N24 Na2 O18 -","- C152 H144 I10 N24 Na2 O18 -","1","0.5","","Borissov, Arseni; Lim, Jason Y. C.; Brown, Asha; Christensen, Kirsten E.; Thompson, Amber L.; Smith, Martin D.; Beer, Paul D.","Neutral iodotriazole foldamers as tetradentate halogen bonding anion receptors.","Chemical communications (Cambridge, England)","2017","53","16","2483","2486","10.1039/c7cc00727b","","","0.6889","Synchrotron","","0.118","0.0996","","0.2929","0.2809","0.2929","","","","","","0.9962","","","","has coordinates","291143","2024-04-09","08:48:53",""
"7119624","11.3868","0.0017","11.3868","0.0017","37.478","0.006","90","","90","","90","","4859.4","1.3","296","2","296","2","","","","","","","","5","P 41","P 4w","76","","","","- C12 H12 N2 O2 S -","- C12 H12 N2 O2 S -","- C192 H192 N32 O32 S16 -","16","4","","Wang, Ming; Wei, Jianpeng; Fan, Qiaoling; Jiang, Xuefeng","Cu(ii)-catalyzed sulfide construction: both aryl groups utilization of intermolecular and intramolecular diaryliodonium salt.","Chemical communications (Cambridge, England)","2017","53","20","2918","2921","10.1039/c6cc09201b","","","0.71073","MoKα","","0.1966","0.1085","","","0.2759","0.3286","","","","","","1.043","","","","has coordinates","194976","2020-10-21","18:00:00",""
"7119625","14.811","0.004","15.977","0.004","17.68","0.006","115.619","0.007","108.577","0.008","91.4359","0.0008","3510.4","1.8","93","2","93","2","","","","","","","","5","P -1","-P 1","2","","","","- C69 H42 Br12 Cl6 N6 -","- C69 H42 Br12 Cl6 N6 -","- C138 H84 Br24 Cl12 N12 -","2","1","","Chen, Fengkun; Tanaka, Takayuki; Osuka, Atsuhiro","Exploring the ""fold-in"" strategy toward the construction of a highly-strained triazasumanene skeleton.","Chemical communications (Cambridge, England)","2017","53","18","2705","2708","10.1039/c7cc00329c","","","1.54187","CuKα","","0.0512","0.0491","","","0.1429","0.1447","","","","","","1.026","","","","has coordinates,has disorder","193716","2020-10-21","18:00:00",""
"7119626","12.811","0.005","11.964","0.005","18.267","0.007","90","","102.187","0.008","90","","2736.7","1.9","93","2","93","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C36 H31 N3 O -","- C36 H31 N3 O -","- C144 H124 N12 O4 -","4","1","","Chen, Fengkun; Tanaka, Takayuki; Osuka, Atsuhiro","Exploring the ""fold-in"" strategy toward the construction of a highly-strained triazasumanene skeleton.","Chemical communications (Cambridge, England)","2017","53","18","2705","2708","10.1039/c7cc00329c","","","1.54187","CuKα","","0.0989","0.0598","","","0.1489","0.186","","","","","","1.04","","","","has coordinates","193716","2020-10-21","18:00:00",""
"7119627","10.647","0.003","9.151","0.002","25.792","0.007","90","","90.319","0.008","90","","2512.9","1.1","93","2","93","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C31.5 H19 Cl3.33 N3 -","- C31.4999 H19 Cl3.3331 N3 -","- C126 H76 Cl13.3324 N12 -","4","1","","Chen, Fengkun; Tanaka, Takayuki; Osuka, Atsuhiro","Exploring the ""fold-in"" strategy toward the construction of a highly-strained triazasumanene skeleton.","Chemical communications (Cambridge, England)","2017","53","18","2705","2708","10.1039/c7cc00329c","","","1.54187","CuKα","","0.1249","0.0867","","","0.244","0.2804","","","","","","1.026","","","","has coordinates,has disorder","193716","2020-10-21","18:00:00",""
"7119628","18.8982","0.0009","18.8982","0.0009","28.7167","0.0014","90","","90","","120","","8881.9","0.7","296","2","296","2","","","","","","","","5","R -3 :H","-R 3","148","","","","- C144 H120 B2 O7 Si8 -","- C144 H120 B2 O7 Si8 -","- C432 H360 B6 O21 Si24 -","3","0.166667","","Chatterjee, Basujit; Gunanathan, Chidambaram","Ruthenium-catalysed multicomponent synthesis of borasiloxanes.","Chemical communications (Cambridge, England)","2017","53","16","2515","2518","10.1039/c7cc00787f","","","0.71073","MoKα","","0.0546","0.0475","","","0.1149","0.1197","","","","","","1.102","","","","has coordinates","193679","2020-10-21","18:00:00",""
"7119629","4.7566","0.0002","8.3266","0.0003","10.6298","0.0007","90","","101.601","0.004","90","","412.41","0.04","295","2","295","2","","","","","","","","5","P 1 21/m 1","-P 2yb","11","aluminium oxonitridoimidophosphate","","","- Al H2 N11 O P6 -","- Al H2 N11 O P6 -","- Al2 H4 N22 O2 P12 -","2","0.5","","Neudert, Lukas; Heinke, Frank; Bräuniger, Thomas; Pucher, Florian J.; Vaughan, Gavin B.; Oeckler, Oliver; Schnick, Wolfgang","An unusual nitride network of aluminum-centered octahedra and phosphorus-centered tetrahedra and structure determination from microcrystalline samples.","Chemical communications (Cambridge, England)","2017","53","18","2709","2712","10.1039/c7cc00233e","","","0.3351","synchrotron","","0.0351","0.0285","","","0.0702","0.0735","","","","","","1.046","","","","has coordinates","193707","2020-10-21","18:00:00",""
"7119630","7.5822","0.0004","8.8509","0.0005","10.0505","0.0006","93.807","0.005","110.4","0.005","92.911","0.005","628.81","0.07","170","0.1","170","0.1","","","","","","","","3","P -1","-P 1","2","","","","- C16 H16 O2 -","- C16 H16 O2 -","- C32 H32 O4 -","2","1","","Zhang, Changyuan; Jiang, Huanfeng; Zhu, Shifa","Gold-catalyzed ring-expansion through acyl migration to afford furan-fused polycyclic compounds.","Chemical communications (Cambridge, England)","2017","53","18","2677","2680","10.1039/c7cc00218a","","x-ray","1.54178","CuKα","","0.0503","0.0467","","","0.1228","0.1266","","","","","","1.047","","","","has coordinates","193708","2020-10-21","18:00:00",""
"7119631","5.58064","0.00008","21.634","0.0003","13.33275","0.00019","90","","101.869","0.0014","90","","1575.27","0.04","170","0.1","170","0.1","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","","","- C23 H16 O2 -","- C23 H16 O2 -","- C92 H64 O8 -","4","1","","Zhang, Changyuan; Jiang, Huanfeng; Zhu, Shifa","Gold-catalyzed ring-expansion through acyl migration to afford furan-fused polycyclic compounds.","Chemical communications (Cambridge, England)","2017","53","18","2677","2680","10.1039/c7cc00218a","","x-ray","1.54178","CuKα","","0.0373","0.0348","","","0.0894","0.0914","","","","","","1.053","","","","has coordinates","193708","2020-10-21","18:00:00",""
"7119632","5.5202","0.0009","22.281","0.004","11.6371","0.0019","90","","90.287","0.003","90","","1431.3","0.4","130","","130","","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C20 H16 O2 -","- C20 H16 O2 -","- C80 H64 O8 -","4","1","","Zhang, Changyuan; Jiang, Huanfeng; Zhu, Shifa","Gold-catalyzed ring-expansion through acyl migration to afford furan-fused polycyclic compounds.","Chemical communications (Cambridge, England)","2017","53","18","2677","2680","10.1039/c7cc00218a","","","0.71073","MoKα","","0.0417","0.0366","","","0.0857","0.089","","","","","","1.06","","","","has coordinates","193708","2020-10-21","18:00:00",""
"7119633","8.949","0.003","14.797","0.004","15.706","0.005","90","","90","","90","","2079.8","1.1","295","1","295","1","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C19 H26 Br N O3 S -","- C19 H26 Br N O3 S -","- C76 H104 Br4 N4 O12 S4 -","4","1","","Sirvent, Ana; Soler, Tatiana; Foubelo, Francisco; Yus, Miguel","Selective palladium(ii)-mediated oxidation of homoallylic N-tert-butanesulfinyl amine derivatives.","Chemical communications (Cambridge, England)","2017","53","18","2701","2704","10.1039/c7cc00826k","","","0.71073","MoKα","","0.0772","0.0473","","","0.1104","0.1264","","","","","","1.024","","","","has coordinates","193711","2020-10-21","18:00:00",""
"7119634","25.295","0.003","10.0831","0.001","19.1963","0.0019","90","","125.97","0.001","90","","3962.5","0.7","130","","130","","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C24 H22 N2 O3 -","- C24 H22 N2 O3 -","- C192 H176 N16 O24 -","8","1","","Mei, Guang-Jian; Zhu, Zi-Qi; Zhao, Jia-Jia; Bian, Chen-Yu; Chen, Jie; Chen, Ruo-Wei; Shi, Feng","Brønsted acid-catalyzed stereoselective [4+3] cycloadditions of ortho-hydroxybenzyl alcohols with N,N'-cyclic azomethine imines.","Chemical communications (Cambridge, England)","2017","53","18","2768","2771","10.1039/c6cc09775h","","","0.71073","MoKα","","0.0752","0.0441","","","0.1031","0.1204","","","","","","1.009","","","","has coordinates","193715","2020-10-21","18:00:00",""
"7119635","9.6097","0.0005","9.429","0.0006","27.172","0.0012","90","","97.692","0.003","90","","2439.9","0.2","296","","296","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C31 H29 N3 O2 -","- C31 H29 N3 O2 -","- C124 H116 N12 O8 -","4","1","","Mei, Guang-Jian; Zhu, Zi-Qi; Zhao, Jia-Jia; Bian, Chen-Yu; Chen, Jie; Chen, Ruo-Wei; Shi, Feng","Brønsted acid-catalyzed stereoselective [4+3] cycloadditions of ortho-hydroxybenzyl alcohols with N,N'-cyclic azomethine imines.","Chemical communications (Cambridge, England)","2017","53","18","2768","2771","10.1039/c6cc09775h","","","1.54178","CuKα","","0.0649","0.0513","","","0.1378","0.149","","","","","","1.026","","","","has coordinates","193715","2020-10-21","18:00:00",""
"7119636","9.645","0.004","11.952","0.005","19.826","0.008","90","","90","","90","","2285.5","1.6","93","2","93","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C27 H22 Cl N3 O -","- C27 H22 Cl N3 O -","- C108 H88 Cl4 N12 O4 -","4","1","","Yamauchi, Daisuke; Nishimura, Takahiro; Yorimitsu, Hideki","Asymmetric hydroarylation of vinyl ethers catalyzed by a hydroxoiridium complex: azoles as effective directing groups.","Chemical communications (Cambridge, England)","2017","53","18","2760","2763","10.1039/c7cc00238f","","","1.54187","CuKα","","0.0673","0.0449","","","0.0941","0.1031","","","","","","1.043","","","","has coordinates","193717","2020-10-21","18:00:00",""
"7119637","12.998","0.0009","11.2086","0.0008","14.9044","0.001","90","","104.191","0.003","90","","2105.1","0.3","100","","100","","","","","","","","see text","5","C 1 c 1","C -2yc","9","","","","- C22 H24 Br2 N2 Pd -","- C22 H24 Br2 N2 Pd -","- C88 H96 Br8 N8 Pd4 -","4","1","","Jandl, Christian; Pöthig, Alexander","A hybrid carbocyclic/N-heterocyclic carbene ligand.","Chemical communications (Cambridge, England)","2017","53","13","2098","2101","10.1039/c6cc08468k","","x-ray","0.71073","MoKα","","0.016","0.0154","","","0.0372","0.0373","","","","","","1.077","","","","has coordinates","211179","2020-10-21","18:00:00",""
"7119638","17.4798","0.0014","16.3475","0.0013","17.1405","0.0014","90","","110.78","0.003","90","","4579.3","0.6","100","","100","","","","","","","","see text","5","C 1 2/c 1","-C 2yc","15","","","","- C44 H50 Br2 N4 Pd2 -","- C44 H50 Br2 N4 Pd2 -","- C176 H200 Br8 N16 Pd8 -","4","0.5","","Jandl, Christian; Pöthig, Alexander","A hybrid carbocyclic/N-heterocyclic carbene ligand.","Chemical communications (Cambridge, England)","2017","53","13","2098","2101","10.1039/c6cc08468k","","x-ray","0.71073","MoKα","","0.0198","0.0166","","","0.0418","0.0431","","","","","","1.052","","","","has coordinates","211179","2020-10-21","18:00:00",""
"7119639","16.011","0.003","24.099","0.004","14.46","0.002","90","","90","","90","","5579.4","1.6","100","","100","","","","","","","","see text","8","P c c n","-P 2ab 2ac","56","","","","- C46 H52 B2 Br2 Cl4 F8 N4 Pd2 -","- C46 H52 B2 Br2 Cl4 F8 N4 Pd2 -","- C184 H208 B8 Br8 Cl16 F32 N16 Pd8 -","4","0.5","","Jandl, Christian; Pöthig, Alexander","A hybrid carbocyclic/N-heterocyclic carbene ligand.","Chemical communications (Cambridge, England)","2017","53","13","2098","2101","10.1039/c6cc08468k","","x-ray","0.71073","MoKα","","0.0455","0.0391","","","0.0856","0.0901","","","","","","1.208","","","","has coordinates,has disorder","211179","2020-10-21","18:00:00",""
"7119640","22.183","0.003","38.918","0.005","29.113","0.004","90","","111.441","0.008","90","","23394","6","100","","100","","","","","","","","see text","5","P 1 21/c 1","-P 2ybc","14","","","","- C103 H120 N8 O8 Pd4 -","- C103 H120 N8 O8 Pd4 -","- C824 H960 N64 O64 Pd32 -","8","2","","Jandl, Christian; Pöthig, Alexander","A hybrid carbocyclic/N-heterocyclic carbene ligand.","Chemical communications (Cambridge, England)","2017","53","13","2098","2101","10.1039/c6cc08468k","","x-ray","0.71073","MoKα","","0.1451","0.0778","","","0.1655","0.2125","","","","","","1.045","","","","has coordinates,has disorder","211179","2020-10-21","18:00:00",""
"7119641","29.7613","0.001","18.2178","0.0006","10.1451","0.0003","90","","90","","90","","5500.5","0.3","99.95","0.1","99.95","0.1","","","","","","","","4","F d d 2","F 2 -2d","43","","","","- C30 H22 Cl6 Sb -","- C30 H22 Cl6 Sb -","- C240 H176 Cl48 Sb8 -","8","0.5","","Ivanov, Maxim V.; Thakur, Khushabu; Bhatnagar, Anshul; Rathore, Rajendra","Isolation of a chiral anthracene cation radical: X-ray crystallography and computational interrogation of its racemization.","Chemical communications (Cambridge, England)","2017","53","18","2748","2751","10.1039/c6cc10307c","","x-ray","1.54184","CuKα","","0.0418","0.0389","","","0.0943","0.0966","","","","","","1.046","","","","has coordinates","193712","2020-10-21","18:00:00",""
"7119642","7.64722","0.00007","10.95523","0.00014","22.9991","0.0003","90","","94.4658","0.001","90","","1920.95","0.04","100","0.1","100","0.1","","","","","","","","2","P 1 21/c 1","-P 2ybc","14","","","","- C30 H22 -","- C30 H22 -","- C120 H88 -","4","1","","Ivanov, Maxim V.; Thakur, Khushabu; Bhatnagar, Anshul; Rathore, Rajendra","Isolation of a chiral anthracene cation radical: X-ray crystallography and computational interrogation of its racemization.","Chemical communications (Cambridge, England)","2017","53","18","2748","2751","10.1039/c6cc10307c","","x-ray","1.54184","CuKα","","0.042","0.037","","","0.0928","0.0975","","","","","","1.045","","","","has coordinates","193712","2020-10-21","18:00:00",""
"7119643","10.1626","0.0006","8.6719","0.0005","22.3916","0.0013","90","","92.173","0.002","90","","1971.9","0.2","100","2","100","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C26 H23 N O3 -","- C26 H23 N O3 -","- C104 H92 N4 O12 -","4","1","","Pérez-Gómez, Marta; Hernández-Ponte, Sergio; Bautista, Delia; García-López, José-Antonio","Synthesis of spiro-oxoindoles through Pd-catalyzed remote C-H alkylation using α-diazocarbonyl compounds.","Chemical communications (Cambridge, England)","2017","53","19","2842","2845","10.1039/c7cc00065k","","","0.71073","MoKα","","0.0525","0.0427","","","0.1","0.1057","","","","","","1.057","","","","has coordinates","193678","2020-10-21","18:00:00",""
"7119644","19.543","0.004","24.165","0.005","23.605","0.005","90","","90","","90","","11148","4","200","","200","","","","","","","","","4","C 2 2 21","C 2c 2","20","","","","- C57.74 H85.74 Mn N6 -","- C57.734 H85.734 Mn N6 -","- C461.872 H685.872 Mn8 N48 -","8","1","","Leconte, Nicolas; Moutet, Jules; Herasymchuk, Khrystyna; Clarke, Ryan M.; Philouze, Christian; Luneau, Dominique; Storr, Tim; Thomas, Fabrice","Mn(iv) and Mn(v)-radical species supported by the redox non-innocent bis(2-amino-3,5-di-tert-butylphenyl)amine pincer ligand.","Chemical communications (Cambridge, England)","2017","53","18","2764","2767","10.1039/c7cc00516d","","x-ray","0.71073","MoKα","","0.0659","0.0446","","","0.1005","0.112","","","","","","1.11","","","","has coordinates,has disorder","193710","2020-10-21","18:00:00",""
"7119645","15.525","0.003","33.075","0.007","16.286","0.003","90","","118.46","0.03","90","","7352","3","200","","200","","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C61 H96 F12 Mn N6 Sb2 -","- C61 H96 F12 Mn N6 Sb2 -","- C244 H384 F48 Mn4 N24 Sb8 -","4","0.5","","Leconte, Nicolas; Moutet, Jules; Herasymchuk, Khrystyna; Clarke, Ryan M.; Philouze, Christian; Luneau, Dominique; Storr, Tim; Thomas, Fabrice","Mn(iv) and Mn(v)-radical species supported by the redox non-innocent bis(2-amino-3,5-di-tert-butylphenyl)amine pincer ligand.","Chemical communications (Cambridge, England)","2017","53","18","2764","2767","10.1039/c7cc00516d","","x-ray","0.71073","MoKα","","0.0746","0.0447","","","0.1192","0.1534","","","","","","1.147","","","","has coordinates,has disorder","193710","2020-10-21","18:00:00",""
"7119646","12.866","0.003","15.691","0.004","15.444","0.004","90","","96.98","0.004","90","","3094.7","1.3","120","2","120","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C31 H29 B F15 O P -","- C31 H29 B F15 O P -","- C124 H116 B4 F60 O4 P4 -","4","1","","Ghattas, Ghazi; Bizzarri, Claudia; Hölscher, Markus; Langanke, Jens; Gürtler, Christoph; Leitner, Walter; Subhani, Muhammad Afzal","Interaction of formaldehyde with a water-tolerant frustrated Lewis pair.","Chemical communications (Cambridge, England)","2017","53","22","3205","3208","10.1039/c6cc08044h","","","0.71073","MoKα","","0.1482","0.1338","","","0.2798","0.2872","","","","","","1.607","","","","has coordinates","194943","2020-10-21","18:00:00",""
"7119647","9.2422","0.0014","11.3099","0.0017","18.117","0.003","104.882","0.002","104.203","0.002","96.931","0.002","1739.8","0.5","100","2","100","2","","","","","","","","7","P -1","-P 1","2","","","","- C31 H29 B Cl F15 O P -","- C32 H33 B Cl2 F15 O2 P -","- C64 H66 B2 Cl4 F30 O4 P2 -","2","1","","Ghattas, Ghazi; Bizzarri, Claudia; Hölscher, Markus; Langanke, Jens; Gürtler, Christoph; Leitner, Walter; Subhani, Muhammad Afzal","Interaction of formaldehyde with a water-tolerant frustrated Lewis pair.","Chemical communications (Cambridge, England)","2017","53","22","3205","3208","10.1039/c6cc08044h","","","0.71073","MoKα","","0.0985","0.0652","","","0.1888","0.2076","","","","","","1.166","","","","has coordinates","194943","2020-10-21","18:00:00",""
"7119648","9.5107","0.0018","11.529","0.002","15.63","0.003","105.489","0.003","92.093","0.003","104.513","0.003","1589","0.5","100","2","100","2","","","","","","","","6","P -1","-P 1","2","","","","- C31 H29 Al F15 O P -","- C31 H29 Al F15 O P -","- C62 H58 Al2 F30 O2 P2 -","2","1","","Ghattas, Ghazi; Bizzarri, Claudia; Hölscher, Markus; Langanke, Jens; Gürtler, Christoph; Leitner, Walter; Subhani, Muhammad Afzal","Interaction of formaldehyde with a water-tolerant frustrated Lewis pair.","Chemical communications (Cambridge, England)","2017","53","22","3205","3208","10.1039/c6cc08044h","","","0.71073","MoKα","","0.0835","0.0508","","","0.1412","0.1634","","","","","","0.915","","","","has coordinates","206958","2020-10-21","18:00:00",""
"7119657","8.7225","0.0007","10.1995","0.0008","22.6633","0.0018","90","","90","","90","","2016.2","0.3","296","2","296","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C21 H20 N2 O4 S -","- C21 H20 N2 O4 S -","- C84 H80 N8 O16 S4 -","4","1","","Ma, Chaoqun; Chen, Jianghui; Xing, Dong; Sheng, Yuan; Hu, Wenhao","Iron catalyzed efficient synthesis of poly-functional primary amines via the direct use of ammonia.","Chemical communications (Cambridge, England)","2017","53","19","2854","2857","10.1039/c7cc00003k","","","0.71073","MoKα","","0.0364","0.0335","","","0.0838","0.0863","","","","","","1.036","","","","has coordinates","193677","2020-10-21","18:00:00",""
"7119658","19.376","0.003","12.405","0.002","16.135","0.003","90","","94.809","0.003","90","","3864.5","1.1","88","2","88","2","","","","","","","","5","C 1 2 1","C 2y","5","Ac-DELTA1-5-Arg10-teixobactin","Acetyl-DELTA1-5-Arg10-teixobactin","","- C30 H57 Cl N9 O10.5 -","- C30 H57 Cl N9 O10.5 -","- C120 H228 Cl4 N36 O42 -","4","1","","Yang, H.; Du Bois, D. R.; Ziller, J. W.; Nowick, J. S.","X-ray crystallographic structure of a teixobactin analogue reveals key interactions of the teixobactin pharmacophore.","Chemical communications (Cambridge, England)","2017","53","18","2772","2775","10.1039/c7cc00783c","","","0.71073","MoKα","","0.0625","0.0424","","","0.0811","0.0878","","","","","","1.016","","","","has coordinates","193706","2020-10-21","18:00:00",""
"7119659","9.9714","0.0006","20.0277","0.001","19.2707","0.0011","90","","90.215","0.002","90","","3848.4","0.4","120","2","120","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","(SiHP2)Cu(CbzI)","","","- C37 H46 Cu I2 N P2 Si -","- C37 H46 Cu I2 N P2 Si -","- C148 H184 Cu4 I8 N4 P8 Si4 -","4","1","","Kim, Yeong-Eun; Kim, Jin; Park, Joon Woo; Park, Kiyoung; Lee, Yunho","σ-Complexation as a strategy for designing copper-based light emitters.","Chemical communications (Cambridge, England)","2017","53","19","2858","2861","10.1039/c6cc10139a","","","0.71073","MoKα","","0.1033","0.09","","","0.229","0.2357","","","","","","1.094","","","","has coordinates","193676","2020-10-21","18:00:00",""
"7119660","10.1387","0.0006","9.3035","0.0006","20.649","0.0013","90","","97.005","0.002","90","","1933.2","0.2","120","2","120","2","","","","","","","","6","P 1 c 1","P -2yc","7","(PPMeP)Cu(Cbz)","","","- C41 H55 Cu N O P3 -","- C41 H55 Cu N O P3 -","- C82 H110 Cu2 N2 O2 P6 -","2","1","","Kim, Yeong-Eun; Kim, Jin; Park, Joon Woo; Park, Kiyoung; Lee, Yunho","σ-Complexation as a strategy for designing copper-based light emitters.","Chemical communications (Cambridge, England)","2017","53","19","2858","2861","10.1039/c6cc10139a","","","0.71073","MoKα","","0.0526","0.0399","","","0.0868","0.0954","","","","","","1.156","","","","has coordinates","193676","2020-10-21","18:00:00",""
"7119661","10.5183","0.0006","16.4152","0.0009","15.7633","0.0009","90","","98.452","0.003","90","","2692.1","0.3","120","2","120","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","(PPMeP)CuCl","","","- C25 H39 Cl Cu P3 -","- C25 H39 Cl Cu P3 -","- C100 H156 Cl4 Cu4 P12 -","4","1","","Kim, Yeong-Eun; Kim, Jin; Park, Joon Woo; Park, Kiyoung; Lee, Yunho","σ-Complexation as a strategy for designing copper-based light emitters.","Chemical communications (Cambridge, England)","2017","53","19","2858","2861","10.1039/c6cc10139a","","","0.71073","MoKα","","0.0501","0.0433","","","0.1265","0.1293","","","","","","1.175","","","","has coordinates","193676","2020-10-21","18:00:00",""
"7119662","9.9922","0.0007","19.9115","0.0013","18.944","0.0013","90","","90.494","0.002","90","","3769","0.4","120","2","120","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","(PPMeP)Cu(CbzI)","","","- C37 H45 Cu I2 N P3 -","- C37 H45 Cu I2 N P3 -","- C148 H180 Cu4 I8 N4 P12 -","4","1","","Kim, Yeong-Eun; Kim, Jin; Park, Joon Woo; Park, Kiyoung; Lee, Yunho","σ-Complexation as a strategy for designing copper-based light emitters.","Chemical communications (Cambridge, England)","2017","53","19","2858","2861","10.1039/c6cc10139a","","","0.71073","MoKα","","0.0906","0.0518","","","0.1145","0.1321","","","","","","1.001","","","","has coordinates","193676","2020-10-21","18:00:00",""
"7119663","18.7897","0.0006","19.9849","0.0006","21.0601","0.0006","90","","90","","90","","7908.3","0.4","120","2","120","2","","","","","","","","6","P b c a","-P 2ac 2ab","61","(SiHP2)Cu(Cbz)","","","- C43 H54 Cu N P2 Si -","- C43 H54 Cu N P2 Si -","- C344 H432 Cu8 N8 P16 Si8 -","8","1","","Kim, Yeong-Eun; Kim, Jin; Park, Joon Woo; Park, Kiyoung; Lee, Yunho","σ-Complexation as a strategy for designing copper-based light emitters.","Chemical communications (Cambridge, England)","2017","53","19","2858","2861","10.1039/c6cc10139a","","","0.71073","MoKα","","0.0957","0.0462","","","0.108","0.1353","","","","","","1.015","","","","has coordinates","193676","2020-10-21","18:00:00",""
"7119664","12.3564","0.0007","17.9168","0.001","20.0188","0.0011","90","","105.379","0.002","90","","4273.2","0.4","120","2","120","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","(SiHP2)Cu(CbztBu)","","","- C45 H64 Cu N P2 Si -","- C45 H64 Cu N P2 Si -","- C180 H256 Cu4 N4 P8 Si4 -","4","1","","Kim, Yeong-Eun; Kim, Jin; Park, Joon Woo; Park, Kiyoung; Lee, Yunho","σ-Complexation as a strategy for designing copper-based light emitters.","Chemical communications (Cambridge, England)","2017","53","19","2858","2861","10.1039/c6cc10139a","","","0.71073","MoKα","","0.1206","0.0728","","","0.1572","0.1866","","","","","","1.025","","","","has coordinates","193676","2020-10-21","18:00:00",""
"7119665","9.1187","0.0005","16.0444","0.0009","18.4747","0.001","90","","96.569","0.0018","90","","2685.2","0.3","120","2","120","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","(SiHP2)CuCl","","","- C25 H40 Cl Cu P2 Si -","- C25 H40 Cl Cu P2 Si -","- C100 H160 Cl4 Cu4 P8 Si4 -","4","1","","Kim, Yeong-Eun; Kim, Jin; Park, Joon Woo; Park, Kiyoung; Lee, Yunho","σ-Complexation as a strategy for designing copper-based light emitters.","Chemical communications (Cambridge, England)","2017","53","19","2858","2861","10.1039/c6cc10139a","","","0.71073","MoKα","","0.0432","0.0337","","","0.0803","0.086","","","","","","1.03","","","","has coordinates","193676","2020-10-21","18:00:00",""
"7119666","13.035","0.0011","18.3622","0.0013","17.9391","0.0015","90","","97.764","0.002","90","","4254.4","0.6","120","2","120","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","(PPMeP)Cu(CbztBu)","","","- C45 H63 Cu N P3 -","- C45 H63 Cu N P3 -","- C180 H252 Cu4 N4 P12 -","4","1","","Kim, Yeong-Eun; Kim, Jin; Park, Joon Woo; Park, Kiyoung; Lee, Yunho","σ-Complexation as a strategy for designing copper-based light emitters.","Chemical communications (Cambridge, England)","2017","53","19","2858","2861","10.1039/c6cc10139a","","","0.71073","MoKα","","0.1323","0.0579","","","0.1087","0.1343","","","","","","1.032","","","","has coordinates,has disorder","193676","2020-10-21","18:00:00",""
"7119667","10.844","0.003","20.403","0.006","17.005","0.005","90","","94.838","0.005","90","","3749","1.9","93","","93","","","","","","","","","8","P 1 21/n 1","-P 2yn","14","","","","- C32 H49 F3 N3 O4 P Pd S -","- C32 H49 F3 N3 O4 P Pd S -","- C128 H196 F12 N12 O16 P4 Pd4 S4 -","4","1","","Tao, W.; Akita, S.; Nakano, R.; Ito, S.; Hoshimoto, Y.; Ogoshi, S.; Nozaki, K.","Copolymerisation of ethylene with polar monomers by using palladium catalysts bearing an N-heterocyclic carbene-phosphine oxide bidentate ligand.","Chemical communications (Cambridge, England)","2017","53","17","2630","2633","10.1039/c7cc00002b","","","0.71075","MoKα","","0.0743","0.0651","","","0.1425","0.1478","","","","","","1.124","","","","has coordinates,has disorder","193673","2020-10-21","18:00:00",""
"7119668","10.179","0.003","22.751","0.008","16.348","0.006","90","","90.349","0.006","90","","3786","2","93","","93","","","","","","","","","8","P 1 21/c 1","-P 2ybc","14","","","","- C35 H51 F6 N3 O P Pd Sb -","- C35 H51 F6 N3 O P Pd Sb -","- C140 H204 F24 N12 O4 P4 Pd4 Sb4 -","4","1","","Tao, W.; Akita, S.; Nakano, R.; Ito, S.; Hoshimoto, Y.; Ogoshi, S.; Nozaki, K.","Copolymerisation of ethylene with polar monomers by using palladium catalysts bearing an N-heterocyclic carbene-phosphine oxide bidentate ligand.","Chemical communications (Cambridge, England)","2017","53","17","2630","2633","10.1039/c7cc00002b","","","0.71075","MoKα","","0.0573","0.0447","","","0.0819","0.0869","","","","","","1.067","","","","has coordinates","193673","2020-10-21","18:00:00",""
"7119669","6.27417","0.00014","21.9593","0.0005","12.6125","0.0003","90","","96.237","0.002","90","","1727.42","0.07","100","0.1","100","0.1","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C36 H42 B2 N6 O4 -","- C36 H42 B2 N6 O4 -","- C72 H84 B4 N12 O8 -","2","0.5","","Zhai, Wenlei; Male, Louise; Fossey, John S.","Glucose selective bis-boronic acid click-fluor.","Chemical communications (Cambridge, England)","2017","53","14","2218","2221","10.1039/c6cc08534b","","x-ray","1.54184","CuKα","","0.0473","0.0413","","","0.1018","0.107","","","","","","1.067","","","","has coordinates","192106","2020-10-21","18:00:00",""
"7119670","26.009","0.0003","6.56488","0.00009","20.4434","0.0003","90","","90","","90","","3490.63","0.08","100","0.1","100","0.1","","","","","","","","5","P n a 21","P 2c -2n","33","","","","- C36 H42 B2 N6 O4 -","- C36 H42 B2 N6 O4 -","- C144 H168 B8 N24 O16 -","4","1","","Zhai, Wenlei; Male, Louise; Fossey, John S.","Glucose selective bis-boronic acid click-fluor.","Chemical communications (Cambridge, England)","2017","53","14","2218","2221","10.1039/c6cc08534b","","x-ray","1.54184","CuKα","","0.0423","0.0404","","","0.1026","0.1046","","","","","","1.035","","","","has coordinates","192106","2020-10-21","18:00:00",""
"7119671","16.3223","0.0005","12.4005","0.0004","17.5981","0.0005","90","","103.806","0.003","90","","3459.03","0.19","100","0.2","100","0.2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C36 H42 B2 N6 O4 -","- C36 H42 B2 N6 O4 -","- C144 H168 B8 N24 O16 -","4","0.5","","Zhai, Wenlei; Male, Louise; Fossey, John S.","Glucose selective bis-boronic acid click-fluor.","Chemical communications (Cambridge, England)","2017","53","14","2218","2221","10.1039/c6cc08534b","","x-ray","1.54184","CuKα","","0.0489","0.0393","","","0.0947","0.1023","","","","","","1.031","","","","has coordinates,has disorder","192106","2020-10-21","18:00:00",""
"7119672","10.7117","0.0007","14.7122","0.001","16.4804","0.0011","96.836","0.001","94.98","0.001","109.659","0.001","2406","0.3","296","2","296","2","","","","","","","","7","P -1","-P 1","2","","","","- C91 H69 Cl9 F12 Ir2 N10 P2 -","- C91 H69 Cl9 F12 Ir2 N10 P2 -","- C91 H69 Cl9 F12 Ir2 N10 P2 -","1","0.5","","Tian, Xiaohe; Zhu, Yingzhong; Zhang, Mingzhu; Luo, Lei; Wu, Jieying; Zhou, Hongping; Guan, Lijuan; Battaglia, Giuseppe; Tian, Yupeng","Localization matters: a nuclear targeting two-photon absorption iridium complex in photodynamic therapy.","Chemical communications (Cambridge, England)","2017","53","23","3303","3306","10.1039/c6cc09470h","","","0.71073","MoKα","","0.0404","0.0365","","","0.1087","0.1125","","","","","","1.067","","","","has coordinates","194979","2020-10-21","18:00:00",""
"7119673","8.934","0.004","9.067","0.005","14.698","0.007","90","","90","","90","","1190.6","1","296","2","296","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C3 H Cu N7 -","- C3 H Cu N7 -","- C24 H8 Cu8 N56 -","8","1","","Zhang, Yinli; Zhang, Sheng; Sun, Lin; Yang, Qi; Han, Jing; Wei, Qing; Xie, Gang; Chen, Sanping; Gao, Shengli","A solvent-free dense energetic metal-organic framework (EMOF): to improve stability and energetic performance via in situ microcalorimetry.","Chemical communications (Cambridge, England)","2017","53","21","3034","3037","10.1039/c7cc00545h","","","0.71073","MoKα","","0.0823","0.0446","","","0.1101","0.136","","","","","","0.803","","","","has coordinates","194987","2020-10-21","18:00:00",""
"7119674","12.5074","0.0004","17.8257","0.0006","20.7658","0.0007","90","","97.938","0.001","90","","4585.4","0.3","150","2","150","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C38 H30 Cu2 N10 O16 -","- C38 H30 Cu2 N10 O16 -","- C152 H120 Cu8 N40 O64 -","4","1","","Liu, Chengyu; Lei, Haitao; Zhang, Zongyao; Chen, Fangfang; Cao, Rui","Oxygen reduction catalyzed by a water-soluble binuclear copper(ii) complex from a neutral aqueous solution.","Chemical communications (Cambridge, England)","2017","53","22","3189","3192","10.1039/c6cc09206c","","","0.71073","MoKα","","0.0723","0.0505","","","0.1347","0.1472","","","","","","1.05","","","","has coordinates","194944","2020-10-21","18:00:00",""
"7119683","13.002","0.0003","18.8143","0.0003","17.6588","0.0004","90","","110.919","0.002","90","","4035.03","0.16","100","2","100","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C50 H49 Ir N6 O2 -","- C50 H49 Ir N6 O2 -","- C200 H196 Ir4 N24 O8 -","4","1","","Osiak, Jaroslaw G.; Setzer, Tobias; Jones, Peter G.; Lennartz, Christian; Dreuw, Andreas; Kowalsky, Wolfgang; Johannes, Hans-Hermann","Twist it! The acid-dependent isomerization of homoleptic carbenic iridium(iii) complexes.","Chemical communications (Cambridge, England)","2017","53","23","3295","3298","10.1039/c7cc00697g","","","0.71073","MoKα","","0.0341","0.027","","","0.0563","0.0585","","","","","","1.149","","","","has coordinates","194980","2020-10-21","18:00:00",""
"7119684","20.9475","0.0004","12.09289","0.00017","20.1184","0.0004","90","","106.36","0.002","90","","4889.96","0.16","100","2","100","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C64 H53 Ir N3 O -","- C64 H53 Ir N6 O -","- C256 H212 Ir4 N24 O4 -","4","1","","Osiak, Jaroslaw G.; Setzer, Tobias; Jones, Peter G.; Lennartz, Christian; Dreuw, Andreas; Kowalsky, Wolfgang; Johannes, Hans-Hermann","Twist it! The acid-dependent isomerization of homoleptic carbenic iridium(iii) complexes.","Chemical communications (Cambridge, England)","2017","53","23","3295","3298","10.1039/c7cc00697g","","","0.71073","MoKα","","0.0334","0.0263","","","0.0557","0.0582","","","","","","1.081","","","","has coordinates,has disorder","194980","2020-10-21","18:00:00",""
"7119685","13.7534","0.0004","19.6098","0.0006","27.014","0.0005","95.925","0.002","93.542","0.002","94.992","0.003","7200.9","0.3","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","","","- C62.67 H50.33 Ir N6 O0.67 -","- C62.6667 H50.3333 Ir N6 O0.666667 -","- C376 H302 Ir6 N36 O4 -","6","3","","Osiak, Jaroslaw G.; Setzer, Tobias; Jones, Peter G.; Lennartz, Christian; Dreuw, Andreas; Kowalsky, Wolfgang; Johannes, Hans-Hermann","Twist it! The acid-dependent isomerization of homoleptic carbenic iridium(iii) complexes.","Chemical communications (Cambridge, England)","2017","53","23","3295","3298","10.1039/c7cc00697g","","","0.71073","MoKα","","0.0626","0.043","","","0.093","0.1035","","","","","","1.049","","","","has coordinates","194980","2020-10-21","18:00:00",""
"7119686","5.732","0.008","18.45","0.02","18.87","0.03","90","","90","0.02","90","","1996","5","293","2","293","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C21 H27 N O S -","- C21 H27 N O S -","- C84 H108 N4 O4 S4 -","4","2","","Cai, Sen-Lin; Yuan, Bin-Hua; Jiang, Yi-Xiang; Lin, Guo-Qiang; Sun, Xing-Wen","Asymmetric cinnamylation of N-tert-butanesulfinyl imines with cinnamyl acetates: total syntheses of (+)-lycoricidine and (+)-7-deoxypancratistatin.","Chemical communications (Cambridge, England)","2017","53","25","3520","3523","10.1039/c7cc00108h","","","0.71073","MoKα","","0.138","0.0631","","","0.1499","0.1842","","","","","","0.902","","","","has coordinates","194972","2020-10-21","18:00:00",""
"7119687","19.5766","0.0015","8.3899","0.0007","9.3442","0.0007","90","","90","","90","","1534.7","0.2","173","2","173","2","","","","","","","","4","P 21 21 2","P 2 2ab","18","","","","- C17 H19 N O7 -","- C17 H19 N O7 -","- C68 H76 N4 O28 -","4","1","","Cai, Sen-Lin; Yuan, Bin-Hua; Jiang, Yi-Xiang; Lin, Guo-Qiang; Sun, Xing-Wen","Asymmetric cinnamylation of N-tert-butanesulfinyl imines with cinnamyl acetates: total syntheses of (+)-lycoricidine and (+)-7-deoxypancratistatin.","Chemical communications (Cambridge, England)","2017","53","25","3520","3523","10.1039/c7cc00108h","","","1.54178","CuKα","","0.0321","0.0303","","","0.0836","0.0848","","","","","","1.088","","","","has coordinates","194972","2020-10-21","18:00:00",""
"7119688","22.7096","0.001","30.714","0.0012","52.896","0.002","90","","90","","90","","36895","3","293","2","293","2","","","","","","","","5","F d d d","-F 2uv 2vw","70","","","","- C114 H108 Dy8 N48 O42 -","- C114 H108 Dy8 N48 O42 -","- C912 H864 Dy64 N384 O336 -","8","","","Li, Xiao-Lei; Wu, Jianfeng; Zhao, Lang; Shi, Wei; Cheng, Peng; Tang, Jinkui","End-to-end azido-pinned interlocking lanthanide squares.","Chemical communications (Cambridge, England)","2017","53","21","3026","3029","10.1039/c7cc00048k","","","0.71073","MoKα","","0.0789","0.0604","","","0.1952","0.2257","","","","","","1.005","","","","has coordinates,has disorder","194988","2020-10-21","18:00:00",""
"7119689","12.3342","0.0003","14.2207","0.0004","28.9433","0.0008","79.409","0.002","86.348","0.002","75.665","0.001","4833.9","0.2","100","2","100","1","","","","","","","","5","P -1","-P 1","2","","","","- C50 H77 N2 P2 Ti -","- C50 H77 N2 P2 Ti -","- C200 H308 N8 P8 Ti4 -","4","2","","Grant, Lauren N.; Ahn, Seihwan; Manor, Brian C.; Baik, Mu-Hyun; Mindiola, Daniel J.","Structural elucidation of a mononuclear titanium methylidene.","Chemical communications (Cambridge, England)","2017","53","24","3415","3417","10.1039/c7cc00654c","","","0.71073","MoKα","","0.0814","0.0575","","","0.148","0.1585","","","","","","1.044","","","","has coordinates","194936","2020-10-21","18:00:00",""
"7119690","15.3286","0.0007","12.3358","0.0005","22.4869","0.0011","90","","95.728","0.002","90","","4230.8","0.3","100","","100","","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C45 H64 N2 P2 Ti -","- C45 H64 N2 P2 Ti -","- C180 H256 N8 P8 Ti4 -","4","0.5","","Grant, Lauren N.; Ahn, Seihwan; Manor, Brian C.; Baik, Mu-Hyun; Mindiola, Daniel J.","Structural elucidation of a mononuclear titanium methylidene.","Chemical communications (Cambridge, England)","2017","53","24","3415","3417","10.1039/c7cc00654c","","","0.71073","MoKα","","0.0484","0.0374","","","0.0891","0.0949","","","","","","1.058","","","","has coordinates","194936","2020-10-21","18:00:00",""
"7119691","24.178","0.002","6.638","0.0006","24.262","0.002","90","","99.235","0.005","90","","3843.4","0.6","100","2","100","2","","","","","","","","6","I 1 2/a 1","-I 2ya","15","","","","- C18 H14 Br2 N2 O4 S2 -","- C18 H14 Br2 N2 O4 S2 -","- C144 H112 Br16 N16 O32 S16 -","8","1","","Roy, Arundhati; Biswas, Oindrila; Talukdar, Pinaki","Bis(sulfonamide) transmembrane carriers allow pH-gated inversion of ion selectivity.","Chemical communications (Cambridge, England)","2017","53","21","3122","3125","10.1039/c7cc00165g","","","0.71073","MoKα","","0.0374","0.026","","","0.0875","0.0994","","","","","","0.804","","","","has coordinates","194984","2020-10-21","18:00:00",""
"7119692","6.78","0.005","13.746","0.011","22.746","0.019","78.06","0.02","85.26","0.02","88.54","0.02","2067","3","100","2","100","2","","","","","","","","6","P -1","-P 1","2","","","","- C20 H14 F6 N2 O4 S2 -","- C20 H14 F6 N2 O4 S2 -","- C80 H56 F24 N8 O16 S8 -","4","2","","Roy, Arundhati; Biswas, Oindrila; Talukdar, Pinaki","Bis(sulfonamide) transmembrane carriers allow pH-gated inversion of ion selectivity.","Chemical communications (Cambridge, England)","2017","53","21","3122","3125","10.1039/c7cc00165g","","","0.71073","MoKα","","0.2736","0.0912","","","0.1769","0.2573","","","","","","0.914","","","","has coordinates","194984","2020-10-21","18:00:00",""
"7119693","16.5356","0.0013","7.3275","0.0004","11.8114","0.0009","90","","107.518","0.006","90","","1364.75","0.17","120","2","120","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","6-Trifluormethansulfonat-2-phenyl-1,3-benzoxazole","","- C14 H8 F3 N O4 S -","- C14 H8 F3 N O4 S -","- C56 H32 F12 N4 O16 S4 -","4","1","","Gieshoff, Tile; Kehl, Anton; Schollmeyer, Dieter; Moeller, Kevin D.; Waldvogel, Siegfried R.","Electrochemical synthesis of benzoxazoles from anilides - a new approach to employ amidyl radical intermediates.","Chemical communications (Cambridge, England)","2017","53","20","2974","2977","10.1039/c7cc00927e","","","0.71073","MoKα","","0.048","0.0338","","","0.0778","0.0843","","","","","","1.021","","","","has coordinates","194977","2020-10-21","18:00:00",""
"7119694","17.004","0.009","7.497","0.004","23.151","0.011","90","","90","","90","","2951","3","293","","293","","","","","","","","","4","P n a 21","P 2c -2n","33","","","","- C16 H12 O2 S3 -","- C16 H12 O2 S3 -","- C128 H96 O16 S24 -","8","2","","Higashino, Toshiki; Ueda, Akira; Yoshida, Junya; Mori, Hatsumi","Improved stability of a metallic state in benzothienobenzothiophene-based molecular conductors: an effective increase of dimensionality with hydrogen bonds.","Chemical communications (Cambridge, England)","2017","53","24","3426","3429","10.1039/c7cc00784a","","","0.71075","MoKα","","","0.0811","","","","0.2058","","","","","","0.981","","","","has coordinates","194935","2020-10-21","18:00:00",""
"7119695","50.816","0.018","3.9638","0.0013","11.696","0.004","90","","101.342","0.005","90","","2309.9","1.4","293","","293","","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C28 H18 O5 S4 -","- C28 H18 O5 S4 -","- C112 H72 O20 S16 -","4","0.5","","Higashino, Toshiki; Ueda, Akira; Yoshida, Junya; Mori, Hatsumi","Improved stability of a metallic state in benzothienobenzothiophene-based molecular conductors: an effective increase of dimensionality with hydrogen bonds.","Chemical communications (Cambridge, England)","2017","53","24","3426","3429","10.1039/c7cc00784a","","","0.71075","MoKα","","","0.0353","","","","0.0982","","","","","","0.996","","","","has coordinates","194935","2020-10-21","18:00:00",""
"7119696","29.418","0.016","6.652","0.004","13.84","0.008","90","","110.708","0.008","90","","2533","3","293","","293","","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C28 H16 Cl O8 S4 -","- C28 H16 Cl O8 S4 -","- C112 H64 Cl4 O32 S16 -","4","0.5","","Higashino, Toshiki; Ueda, Akira; Yoshida, Junya; Mori, Hatsumi","Improved stability of a metallic state in benzothienobenzothiophene-based molecular conductors: an effective increase of dimensionality with hydrogen bonds.","Chemical communications (Cambridge, England)","2017","53","24","3426","3429","10.1039/c7cc00784a","","","0.71075","MoKα","","","0.0784","","","","0.1675","","","","","","1.058","","","","has coordinates","194935","2020-10-21","18:00:00",""
"7119697","10.676","0.004","10.861","0.004","13.225","0.005","104.975","0.004","102.681","0.004","99.616","0.004","1403.9","0.9","293","","293","","","","","","","","","4","P -1","-P 1","2","","","","- C16 H12 O2 S2 -","- C16 H12 O2 S2 -","- C64 H48 O8 S8 -","4","2","","Higashino, Toshiki; Ueda, Akira; Yoshida, Junya; Mori, Hatsumi","Improved stability of a metallic state in benzothienobenzothiophene-based molecular conductors: an effective increase of dimensionality with hydrogen bonds.","Chemical communications (Cambridge, England)","2017","53","24","3426","3429","10.1039/c7cc00784a","","","0.71075","MoKα","","","0.0566","","","","0.1727","","","","","","1.076","","","","has coordinates,has disorder","194935","2020-10-21","18:00:00",""
"7119698","11.122","0.005","11.208","0.005","12.801","0.006","112.898","0.006","93.135","0.004","90.892","0.004","1466.6","1.2","293","","293","","","","","","","","","4","P -1","-P 1","2","","","","- C16 H12 O2 S3 -","- C16 H12 O2 S3 -","- C64 H48 O8 S12 -","4","2","","Higashino, Toshiki; Ueda, Akira; Yoshida, Junya; Mori, Hatsumi","Improved stability of a metallic state in benzothienobenzothiophene-based molecular conductors: an effective increase of dimensionality with hydrogen bonds.","Chemical communications (Cambridge, England)","2017","53","24","3426","3429","10.1039/c7cc00784a","","","0.71075","MoKα","","","0.0508","","","","0.1687","","","","","","1.084","","","","has coordinates","194935","2020-10-21","18:00:00",""
"7119699","15.1311","0.001","18.4016","0.0012","15.2549","0.001","90","","111.107","0.004","90","","3962.6","0.5","100","2","100","2","","","","","","","","8","P 1 21/n 1","-P 2yn","14","","","","- C34 H58 F3 N O3 P2 S Ti -","- C34 H58 F3 N O3 P2 S Ti -","- C136 H232 F12 N4 O12 P8 S4 Ti4 -","4","1","","Kurogi, Takashi; Carroll, Patrick J.; Mindiola, Daniel J.","A radical coupled pathway to a stable and terminally bound titanium methylidene.","Chemical communications (Cambridge, England)","2017","53","24","3412","3414","10.1039/c7cc00371d","","","0.71073","MoKα","","0.0995","0.0552","","","0.1337","0.1584","","","","","","1.025","","","","has coordinates,has disorder","194930","2020-10-21","18:00:00",""
"7119700","11.965","0.008","12.501","0.009","16.775","0.011","69.62","0.02","86.44","0.03","64.68","0.03","2115","3","100","","100","","","","","","","","","6","P -1","-P 1","2","","","","- C39.5 H70 N2 O P2 Ti -","- C37 H64 N2 O P2 Ti -","- C74 H128 N4 O2 P4 Ti2 -","2","1","","Kurogi, Takashi; Carroll, Patrick J.; Mindiola, Daniel J.","A radical coupled pathway to a stable and terminally bound titanium methylidene.","Chemical communications (Cambridge, England)","2017","53","24","3412","3414","10.1039/c7cc00371d","","","0.71073","MoKα","","0.0684","0.0479","","","0.1081","0.1174","","","","","","1.039","","","","has coordinates","194930","2020-10-21","18:00:00",""
"7119701","9.7421","0.0006","16.0093","0.0009","19.037","0.0011","90","","94.91","0.002","90","","2958.2","0.3","296","2","296","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","diethyl 7,9-di-tert-butyl-4-(4-chlorophenyl)-8-oxospiro[4.5]deca-2,6,9-triene-1,1-dicarboxylate","","- C30 H36 Cl N0 O5 -","- C30 H36 Cl O5 -","- C120 H144 Cl4 O20 -","4","1","","Yuan, Zhenbo; Gai, Kuo; Wu, Youzhi; Wu, Jie; Lin, Aijun; Yao, Hequan","Tandem 1,6-addition/cyclization/vinylcyclopropane rearrangement at low temperature under metal-free conditions: an approach to spiro[4.5]cyclohexadienones.","Chemical communications (Cambridge, England)","2017","53","24","3485","3488","10.1039/c7cc00677b","","","0.71073","MoKα","","0.0969","0.0638","","","0.164","0.187","","","","","","1.028","","","","has coordinates","194932","2020-10-21","18:00:00",""
"7119702","12.654","0.003","21.405","0.005","11.307","0.003","90","","97.659","0.004","90","","3035.3","1.3","296","2","296","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C32 H40 O5 -","- C32 H40 O5 -","- C128 H160 O20 -","4","1","","Yuan, Zhenbo; Gai, Kuo; Wu, Youzhi; Wu, Jie; Lin, Aijun; Yao, Hequan","Tandem 1,6-addition/cyclization/vinylcyclopropane rearrangement at low temperature under metal-free conditions: an approach to spiro[4.5]cyclohexadienones.","Chemical communications (Cambridge, England)","2017","53","24","3485","3488","10.1039/c7cc00677b","","","0.71073","MoKα","","0.0914","0.0622","","","0.1822","0.2143","","","","","","1.005","","","","has coordinates,has disorder","194932","2020-10-21","18:00:00",""
"7119703","5.9975","0.0011","15.485","0.003","18.46","0.003","90","","90","","90","","1714.4","0.5","297","2","297","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C19 H21 N O3 -","- C19 H21 N O3 -","- C76 H84 N4 O12 -","4","1","","Huang, Daorui; Xu, Guangyang; Peng, Shiyong; Sun, Jiangtao","Gold-catalyzed highly regio- and enantioselective vinylcarbene insertion into O-H bonds of 2-pyridones.","Chemical communications (Cambridge, England)","2017","53","22","3197","3200","10.1039/c6cc10246h","","","0.71073","MoKα","","0.0669","0.0421","","","0.1131","0.1272","","","","","","1.049","","","","has coordinates","194945","2020-10-21","18:00:00",""
"7119704","5.8604","0.0013","8.2421","0.0017","17.962","0.004","100.255","0.005","93.59","0.005","97.437","0.005","843.3","0.3","296","2","296","2","","","","","","","","5","P -1","-P 1","2","","","","- C17 H15 Cl2 N O3 -","- C17 H15 Cl2 N O3 -","- C34 H30 Cl4 N2 O6 -","2","1","","Huang, Daorui; Xu, Guangyang; Peng, Shiyong; Sun, Jiangtao","Gold-catalyzed highly regio- and enantioselective vinylcarbene insertion into O-H bonds of 2-pyridones.","Chemical communications (Cambridge, England)","2017","53","22","3197","3200","10.1039/c6cc10246h","","","0.71073","MoKα","","0.0965","0.0737","","","0.2266","0.262","","","","","","1.105","","","","has coordinates","194945","2020-10-21","18:00:00",""
"7119705","8.1374","0.0005","14.262","0.0009","16.0081","0.0012","90","","90","","90","","1857.8","0.2","293","2","293.15","","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","170109_s3_zzw","","- C16 H25 Br O2 Si -","- C16 H25 Br O2 Si -","- C64 H100 Br4 O8 Si4 -","4","1","","Chu, Zhiwen; Wang, Kai; Gao, Lu; Song, Zhenlei","Chiral crotyl geminal bis(silane): a useful reagent for asymmetric Sakurai allylation by selective desilylation-enabled chirality transfer.","Chemical communications (Cambridge, England)","2017","53","21","3078","3081","10.1039/c7cc00632b","","x-ray","0.71073","MoKα","","0.1189","0.0536","","","0.0945","0.1184","","","","","","1.031","","","","has coordinates","204136","2020-10-21","18:00:00",""
"7119706","16.2079","0.0018","17.833","0.002","11.6508","0.0012","90","","90","","90","","3367.5","0.6","296","2","296","2","","","","","","","","5","P b a m","-P 2 2ab","55","","compound1","","- C62 H56 Mn5 N22 O8 -","- C62 H56 Mn5 N22 O8 -","- C124 H112 Mn10 N44 O16 -","2","0.25","","Hazra, Arpan; Jana, Saibal; Bonakala, Satyanarayana; Balasubramanian, Sundaram; Maji, Tapas Kumar","Separation/purification of ethylene from an acetylene/ethylene mixture in a pillared-layer porous metal-organic framework.","Chemical communications (Cambridge, England)","2017","53","36","4907","4910","10.1039/c7cc00726d","","","0.71073","MoKα","","0.0604","0.0433","","","0.1238","0.1353","","","","","","1.033","","","","has coordinates","196286","2020-10-21","18:00:00",""
"7119707","16.039","0.005","17.851","0.004","11.558","0.003","90","","90","","90","","3309.2","1.5","408","2","408","2","","","","","","","","5","P b a m","-P 2 2ab","55","","compound1b","","- C62 H48 Mn5 N22 O4 -","- C62 H48 Mn5 N22 O4 -","- C124 H96 Mn10 N44 O8 -","2","0.25","","Hazra, Arpan; Jana, Saibal; Bonakala, Satyanarayana; Balasubramanian, Sundaram; Maji, Tapas Kumar","Separation/purification of ethylene from an acetylene/ethylene mixture in a pillared-layer porous metal-organic framework.","Chemical communications (Cambridge, England)","2017","53","36","4907","4910","10.1039/c7cc00726d","","","0.71073","MoKα","","0.1379","0.1098","","","0.2647","0.2883","","","","","","0.935","","","","has coordinates","196286","2020-10-21","18:00:00",""
"7119708","17.7983","0.0007","17.7983","0.0007","32.0239","0.0018","90","","90","","120","","8785.4","0.7","293","2","293","2","","","","","","","","7","R 3","R 3","146","","str1788","","- C84.56 H83.22 Cl12.57 I1.8 N12 O2.95 Ru3 -","- C84.5599 H77.22 Cl12.57 I1.8 N12 O2.95 Ru3 -","- C253.68 H231.66 Cl37.71 I5.4 N36 O8.85 Ru9 -","3","","","Ibáñez, S; Poyatos, M.; Peris, E.","A D3h-symmetry hexaazatriphenylene-tris-N-heterocyclic carbene ligand and its coordination to iridium and gold: preliminary catalytic studies.","Chemical communications (Cambridge, England)","2017","53","26","3733","3736","10.1039/c7cc00525c","","","0.71073","MoKα","","0.0998","0.083","","","0.2163","0.2427","","","","","","1.028","","","","has coordinates","194954","2020-10-21","18:00:00",""
"7119709","11.434","0.005","14.581","0.005","18.23","0.005","90","","101.21","0.005","90","","2981.3","1.8","298","","298","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C32 H23 Ir N3 O -","- C32 H23 Ir N3 O -","- C128 H92 Ir4 N12 O4 -","4","1","","Jiang, Yang; Li, Guangfu; Che, Weilong; Liu, Yingjie; Xu, Bin; Shan, Guogang; Zhu, Dongxia; Su, Zhongmin; Bryce, Martin R.","A neutral dinuclear Ir(iii) complex for anti-counterfeiting and data encryption.","Chemical communications (Cambridge, England)","2017","53","21","3022","3025","10.1039/c7cc00769h","","","0.71069","MoKα","","0.0522","0.028","","","0.0514","0.0609","","","","","","1.087","","","","has coordinates","194982","2020-10-21","18:00:00",""
"7119710","11.2912","0.0003","6.19457","0.00016","13.4697","0.0004","90","","96.023","0.003","90","","936.93","0.04","292.9","0.3","292.9","0.3","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C19 H15 Br N2 O5 -","- C19 H15 Br N2 O5 -","- C38 H30 Br2 N4 O10 -","2","1","","Wang, Zhengmeng; Lin, Lili; Zhou, Pengfei; Liu, Xiaohua; Feng, Xiaoming","Chiral N,N'-dioxide-Sc(NTf2)3 complex-catalyzed asymmetric bromoamination of chalones with N-bromosuccinimide as both bromine and amide source.","Chemical communications (Cambridge, England)","2017","53","24","3462","3465","10.1039/c7cc00470b","","x-ray","0.71073","MoKα","","0.0431","0.0349","","","0.0757","0.08","","","","","","1.042","","","","has coordinates","194931","2020-10-21","18:00:00",""
"7119711","10.2651","0.0016","22.732","0.003","15.116","0.002","90","","100.724","0.006","90","","3465.7","0.8","150","2","150","2","","","","","","","","4","C 1 c 1","C -2yc","9","","","","- C39 H49 N3 Sn -","- C39 H49 N3 Sn -","- C156 H196 N12 Sn4 -","4","1","","Janes, Trevor; Zatsepin, Pavel; Song, Datong","Reactivity of heavy carbene analogues towards oxidants: a redox active ligand-enabled isolation of a paramagnetic stannylene.","Chemical communications (Cambridge, England)","2017","53","21","3090","3093","10.1039/c7cc00837f","","","0.71073","MoKα","","0.0601","0.0426","","","0.0672","0.0719","","","","","","0.977","","","","has coordinates","194983","2020-10-21","18:00:00",""
"7119712","30.2756","0.0012","11.6808","0.0005","17.9498","0.0007","90","","94.9769","0.0018","90","","6323.9","0.4","150","2","150","2","","","","","","","","7","C 1 2/c 1","-C 2yc","15","","","","- C31 H38 F3 N2 O3 S Sn -","- C31 H38 F3 N2 O3 S Sn -","- C248 H304 F24 N16 O24 S8 Sn8 -","8","1","","Janes, Trevor; Zatsepin, Pavel; Song, Datong","Reactivity of heavy carbene analogues towards oxidants: a redox active ligand-enabled isolation of a paramagnetic stannylene.","Chemical communications (Cambridge, England)","2017","53","21","3090","3093","10.1039/c7cc00837f","","","0.71073","MoKα","","0.0497","0.032","","","0.0634","0.0697","","","","","","1.039","","","","has coordinates,has disorder","194983","2020-10-21","18:00:00",""
"7119713","10.9016","0.0007","21.6336","0.0017","11.6083","0.0008","90","","90","","90","","2737.7","0.3","150","2","150","2","","","","","","","","4","P n m a","-P 2ac 2n","62","","","","- C30 H38 N2 Pb -","- C30 H38 N2 Pb -","- C120 H152 N8 Pb4 -","4","0.5","","Janes, Trevor; Zatsepin, Pavel; Song, Datong","Reactivity of heavy carbene analogues towards oxidants: a redox active ligand-enabled isolation of a paramagnetic stannylene.","Chemical communications (Cambridge, England)","2017","53","21","3090","3093","10.1039/c7cc00837f","","","0.71073","MoKα","","0.0429","0.0275","","","0.0571","0.0614","","","","","","1.019","","","","has coordinates,has disorder","194983","2020-10-21","18:00:00",""
"7119714","11.2497","0.0008","22.1876","0.0018","13.7655","0.001","90","","93.6","0.003","90","","3429.1","0.4","150","2","150","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C39 H49 N3 Pb -","- C39 H49 N3 Pb -","- C156 H196 N12 Pb4 -","4","1","","Janes, Trevor; Zatsepin, Pavel; Song, Datong","Reactivity of heavy carbene analogues towards oxidants: a redox active ligand-enabled isolation of a paramagnetic stannylene.","Chemical communications (Cambridge, England)","2017","53","21","3090","3093","10.1039/c7cc00837f","","","0.71073","MoKα","","0.043","0.0263","","","0.0498","0.0535","","","","","","1.016","","","","has coordinates","194983","2020-10-21","18:00:00",""
"7119715","14.8076","0.0012","26.177","0.002","20.3861","0.0017","90","","92.81","0.004","90","","7892.5","1.1","150","2","150","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C33 H47 N3 O Pb -","- C33 H47 N3 O Pb -","- C264 H376 N24 O8 Pb8 -","8","2","","Janes, Trevor; Zatsepin, Pavel; Song, Datong","Reactivity of heavy carbene analogues towards oxidants: a redox active ligand-enabled isolation of a paramagnetic stannylene.","Chemical communications (Cambridge, England)","2017","53","21","3090","3093","10.1039/c7cc00837f","","","0.71073","MoKα","","0.159","0.0663","","","0.1341","0.1673","","","","","","0.997","","","","has coordinates,has disorder","194983","2020-10-21","18:00:00",""
"7119716","12.2316","0.0003","20.292","0.0006","19.8739","0.0006","90","","98.545","0.002","90","","4878","0.2","150.01","0.11","150.01","0.11","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C56 H68 Gd2 N2 O2 -","- C56 H68 Gd2 N2 O2 -","- C224 H272 Gd8 N8 O8 -","4","1","","Guo, Fu-Sheng; Layfield, Richard A.","Strong direct exchange coupling and single-molecule magnetism in indigo-bridged lanthanide dimers.","Chemical communications (Cambridge, England)","2017","53","21","3130","3133","10.1039/c7cc01046j","","x-ray","0.71073","MoKα","","0.0564","0.0365","","","0.0649","0.0724","","","","","","1.01","","","","has coordinates","194985","2020-10-21","18:00:00",""
"7119717","12.1568","0.0003","20.2075","0.0004","19.9643","0.0005","90","","98.553","0.002","90","","4849.9","0.2","150.01","0.1","150.01","0.1","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C56 H68 Dy2 N2 O2 -","- C56 H68 Dy2 N2 O2 -","- C224 H272 Dy8 N8 O8 -","4","1","","Guo, Fu-Sheng; Layfield, Richard A.","Strong direct exchange coupling and single-molecule magnetism in indigo-bridged lanthanide dimers.","Chemical communications (Cambridge, England)","2017","53","21","3130","3133","10.1039/c7cc01046j","","x-ray","0.71073","MoKα","","0.0456","0.0333","","","0.0627","0.0689","","","","","","1.042","","","","has coordinates","194985","2020-10-21","18:00:00",""
"7119718","12.3702","0.0004","13.1555","0.0004","13.7622","0.0004","80.063","0.003","76.644","0.003","81.14","0.003","2131.06","0.12","150.04","0.13","150.04","0.13","","","","","","","","6","P -1","-P 1","2","","","","- C84 H124 Gd2 K N2 O9 -","- C84 H124 Gd2 K N2 O9 -","- C84 H124 Gd2 K N2 O9 -","1","0.5","","Guo, Fu-Sheng; Layfield, Richard A.","Strong direct exchange coupling and single-molecule magnetism in indigo-bridged lanthanide dimers.","Chemical communications (Cambridge, England)","2017","53","21","3130","3133","10.1039/c7cc01046j","","x-ray","0.71073","MoKα","","0.053","0.0411","","","0.1077","0.12","","","","","","1.101","","","","has coordinates","194985","2020-10-21","18:00:00",""
"7119719","12.3721","0.0005","13.1967","0.0005","13.7762","0.0005","80.217","0.003","76.392","0.003","81.452","0.003","2140.41","0.15","150.04","0.18","150.04","0.18","","","","","","","","6","P -1","-P 1","2","","","","- C84 H124 Dy2 K N2 O9 -","- C84 H124 Dy2 K N2 O9 -","- C84 H124 Dy2 K N2 O9 -","1","0.5","","Guo, Fu-Sheng; Layfield, Richard A.","Strong direct exchange coupling and single-molecule magnetism in indigo-bridged lanthanide dimers.","Chemical communications (Cambridge, England)","2017","53","21","3130","3133","10.1039/c7cc01046j","","x-ray","0.71073","MoKα","","0.0563","0.0443","","","0.1205","0.1386","","","","","","1.133","","","","has coordinates","194985","2020-10-21","18:00:00",""
"7119720","16.6471","0.0013","11.6604","0.0004","26.166","0.002","90","","134.109","0.014","90","","3646.9","1","150.03","0.1","150.03","0.1","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C76 H108 Gd2 K2 N2 O7 -","- C76 H108 Gd2 K2 N2 O7 -","- C152 H216 Gd4 K4 N4 O14 -","2","0.5","","Guo, Fu-Sheng; Layfield, Richard A.","Strong direct exchange coupling and single-molecule magnetism in indigo-bridged lanthanide dimers.","Chemical communications (Cambridge, England)","2017","53","21","3130","3133","10.1039/c7cc01046j","","x-ray","0.71073","MoKα","","0.0458","0.0352","","","0.0673","0.0743","","","","","","1.054","","","","has coordinates,has disorder","194985","2020-10-21","18:00:00",""
"7119721","16.552","0.0013","11.6744","0.0004","25.961","0.002","90","","133.764","0.014","90","","3622.9","0.9","150.01","0.12","150.01","0.12","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C76 H108 Dy2 K2 N2 O7 -","- C76 H108 Dy2 K2 N2 O7 -","- C152 H216 Dy4 K4 N4 O14 -","2","0.5","","Guo, Fu-Sheng; Layfield, Richard A.","Strong direct exchange coupling and single-molecule magnetism in indigo-bridged lanthanide dimers.","Chemical communications (Cambridge, England)","2017","53","21","3130","3133","10.1039/c7cc01046j","","x-ray","0.71073","MoKα","","0.0492","0.0365","","","0.0732","0.0802","","","","","","1.037","","","","has coordinates,has disorder","194985","2020-10-21","18:00:00",""
"7119722","8.3209","0.0007","16.6734","0.0014","42.266","0.004","90","","90","","90","","5863.9","0.9","298","2","298.15","","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C32 H34 B Br2 N -","- C32 H34 B Br2 N -","- C256 H272 B8 Br16 N8 -","8","1","","Li, Sheng-Yong; Hui, Ya-Jun; Sun, Zuo-Bang; Zhao, Cui-Hua","A triarylborane-based biphenyl exhibiting abrupt fluorescence enhancement at a specific high temperature.","Chemical communications (Cambridge, England)","2017","53","24","3446","3449","10.1039/c6cc10088k","","","0.71","MoKα","","0.0893","0.0505","","","0.1072","0.1236","","","","","","1.029","","","","has coordinates","206958","2020-10-21","18:00:00",""
"7119723","8.86824","0.00015","10.25459","0.00019","16.1386","0.0003","89.3079","0.0016","81.411","0.0016","84.4246","0.0014","1444.32","0.05","116","11","116","11","","","","","","","","5","P -1","-P 1","2","","","","- C30 H30 N2 O7 S3 -","- C30 H30 N2 O7 S3 -","- C60 H60 N4 O14 S6 -","2","1","","Li, Dengke; Mao, Tingting; Huang, Jinbo; Zhu, Qiang","Copper-catalyzed regioselective 1,2-thioamidation of alkenes.","Chemical communications (Cambridge, England)","2017","53","24","3450","3453","10.1039/c7cc00083a","","x-ray","1.54184","CuKα","","0.0474","0.0409","","","0.1035","0.1087","","","","","","1.038","","","","has coordinates","194937","2020-10-21","18:00:00",""
"7119724","14.388","0.003","6.6658","0.0013","14.112","0.003","90","","90","","90","","1353.4","0.5","293","2","293","2","","","","","","","","4","P n m a","-P 2ac 2n","62","","","","- C14 H15 N O4 -","- C14 H15 N O4 -","- C56 H60 N4 O16 -","4","0.5","","Wu, Xia; Geng, Xiao; Zhao, Peng; Zhang, Jingjing; Wu, Yan-Dong; Wu, An-Xin","I2-Promoted formal [3+2] cycloaddition of α-methylenyl isocyanides with methyl ketones: a route to 2,5-disubstituted oxazoles.","Chemical communications (Cambridge, England)","2017","53","24","3438","3441","10.1039/c6cc10275a","","","0.71073","MoKα","","0.1062","0.0755","","","0.2062","0.246","","","","","","1.011","","","","has coordinates,has disorder","194938","2020-10-21","18:00:00",""
"7119725","18.5004","0.0004","18.5004","0.0004","9.6325","0.0005","90","","90","","120","","2855.17","0.17","170","2","170","2","","","","","","","","4","P 3 1 c","P 3 -2c","159","","","","- C38 H47 N9 O3 -","- C38 H47 N9 O3 -","- C76 H94 N18 O6 -","2","0.333333","","Yan, Wenqing; Yu, Xiaopeng; Yan, Tao; Wu, Doufeng; Ning, Erlong; Qi, Yi; Han, Ying-Feng; Li, Qiaowei","A triptycene-based porous hydrogen-bonded organic framework for guest incorporation with tailored fitting.","Chemical communications (Cambridge, England)","2017","53","26","3677","3680","10.1039/c7cc00557a","","","1.54178","CuKα","","0.0645","0.063","","","0.1758","0.179","","","","","","1.069","","","","has coordinates","194965","2020-10-21","18:00:00",""
"7119726","9.8188","0.0009","12.2691","0.0011","13.2128","0.0012","90","","108.004","0.002","90","","1513.8","0.2","298","2","298","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C19 H13 Cl O2 -","- C19 H13 Cl O2 -","- C76 H52 Cl4 O8 -","4","1","","Wang, Ai-Fang; Zhou, Peng; Zhu, Yi-Long; Hao, Wen-Juan; Li, Guigen; Tu, Shu-Jiang; Jiang, Bo","Metal-free benzannulation of 1,7-diynes towards unexpected 1-aroyl-2-naphthaldehydes and their application in fused aza-heterocyclic synthesis.","Chemical communications (Cambridge, England)","2017","53","23","3369","3372","10.1039/c7cc00323d","","","0.71073","MoKα","","0.0916","0.0445","","","0.1037","0.127","","","","","","1.015","","","","has coordinates","194981","2020-10-21","18:00:00",""
"7119727","26.22","0.03","6.695","0.007","28.76","0.03","90","","115.874","0.016","90","","4543","9","298","2","298","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C28 H24 Cl N O -","- C28 H24 Cl N O -","- C224 H192 Cl8 N8 O8 -","8","1","","Wang, Ai-Fang; Zhou, Peng; Zhu, Yi-Long; Hao, Wen-Juan; Li, Guigen; Tu, Shu-Jiang; Jiang, Bo","Metal-free benzannulation of 1,7-diynes towards unexpected 1-aroyl-2-naphthaldehydes and their application in fused aza-heterocyclic synthesis.","Chemical communications (Cambridge, England)","2017","53","23","3369","3372","10.1039/c7cc00323d","","","0.71073","MoKα","","0.2084","0.0983","","","0.1883","0.2182","","","","","","1.054","","","","has coordinates","194981","2020-10-21","18:00:00",""
"7119728","10.3789","0.0009","11.1013","0.0009","14.0006","0.0012","95.621","0.001","103.538","0.002","117.117","0.003","1356.3","0.2","298","2","298","2","","","","","","","","4","P -1","-P 1","2","","","","- C33 H31 N3 O -","- C33 H31 N3 O -","- C66 H62 N6 O2 -","2","1","","Wang, Ai-Fang; Zhou, Peng; Zhu, Yi-Long; Hao, Wen-Juan; Li, Guigen; Tu, Shu-Jiang; Jiang, Bo","Metal-free benzannulation of 1,7-diynes towards unexpected 1-aroyl-2-naphthaldehydes and their application in fused aza-heterocyclic synthesis.","Chemical communications (Cambridge, England)","2017","53","23","3369","3372","10.1039/c7cc00323d","","","0.71073","MoKα","","0.1102","0.0522","","","0.0908","0.1007","","","","","","1.059","","","","has coordinates","194981","2020-10-21","18:00:00",""
"7119729","43.6763","0.001","14.1945","0.0004","7.9006","0.0002","90","","92.268","0.003","90","","4894.2","0.2","120","2","120","","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C22 H26 Cl N8 O3.5 Zn -","- C22 H26 Cl N8 O3.5 Zn -","- C176 H208 Cl8 N64 O28 Zn8 -","8","1","","Guski, S.; Albrecht, M.; Willms, T.; Albrecht, M.; Nabeshima, T.; Pan, F.; Puttreddy, R.; Rissanen, K.","Extended dipyrrin ligands: candidates for optical metal ion detection under competitive conditions.","Chemical communications (Cambridge, England)","2017","53","22","3213","3215","10.1039/c7cc00672a","","x-ray","0.71073","MoKα","","0.0928","0.0783","","","0.2415","0.2561","","","","","","1.077","","","","has coordinates,has disorder","206958","2020-10-21","18:00:00",""
"7119730","10.2846","0.0002","10.2846","0.0002","20.0277","0.0005","90","","90","","120","","1834.58","0.07","100","2","100","2","","","","","","","","4","P 63/m","-P 6c","176","","","","- C27 H16 Er3 O19 -","- C24 H12 Er3 O19 -","- C48 H24 Er6 O38 -","2","0.166667","","Wei, Na; Zuo, Rong-Xia; Zhang, Yu-Yang; Han, Zheng-Bo; Gu, Xue-Jun","Robust high-connected rare-earth MOFs as efficient heterogeneous catalysts for CO2 conversion.","Chemical communications (Cambridge, England)","2017","53","22","3224","3227","10.1039/c7cc00363c","","","1.54184","CuKα","","0.0859","0.0781","","","0.2205","0.2266","","","","","","1.194","","","","has coordinates","194942","2020-10-21","18:00:00",""
"7119731","10.3534","0.0003","10.3534","0.0003","24.6485","0.0007","90","","90","","120","","2288.16","0.11","100","2","100","2","","","","","","","","4","P 63/m","-P 6c","176","","","","- C39 H22 Er3 O19 -","- C39 H18 Er3 O19 -","- C78 H36 Er6 O38 -","2","0.166667","","Wei, Na; Zuo, Rong-Xia; Zhang, Yu-Yang; Han, Zheng-Bo; Gu, Xue-Jun","Robust high-connected rare-earth MOFs as efficient heterogeneous catalysts for CO2 conversion.","Chemical communications (Cambridge, England)","2017","53","22","3224","3227","10.1039/c7cc00363c","","","1.54184","CuKα","","0.1149","0.1129","","","0.2642","0.2653","","","","","","1.129","","","","has coordinates","194942","2020-10-21","18:00:00",""
"7119732","18.832","0.003","3.8846","0.0006","20.977","0.003","90","","115.297","0.017","90","","1387.4","0.4","130","1","130","1","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C18 H13 N3 O2 -","- C18 H13 N3 O2 -","- C72 H52 N12 O8 -","4","1","","Casula, Arianna; Llopis-Lorente, Antoni; Garau, Alessandra; Isaia, Francesco; Kubicki, Maciej; Lippolis, Vito; Sancenón, Félix; Martínez-Máñez, Ramón; Owczarzak, Agata; Santi, Claudio; Andrea Scorciapino, M.; Caltagirone, Claudia","A new class of silica-supported chromo-fluorogenic chemosensors for anion recognition based on a selenourea scaffold.","Chemical communications (Cambridge, England)","2017","53","26","3729","3732","10.1039/c7cc01214d","","x-ray","1.54184","CuKα","","0.0935","0.0742","","","0.1816","0.1972","","","","","","1.076","","","","has coordinates","194966","2020-10-21","18:00:00",""
"7119733","11.627","0.0003","12.8264","0.0003","17.739","0.0004","91.757","0.002","99.346","0.002","96.677","0.002","2589.33","0.11","100","2","100","2","","","","","","","","6","P -1","-P 1","2","","","","- C29.5 H25.5 Cl1.5 N3 O2 S -","- C29.4965 H25.4965 Cl1.4895 N3 O2 S -","- C117.986 H101.986 Cl5.958 N12 O8 S4 -","4","2","","Zeng, Zhongyi; Jin, Hongming; Song, Xinlong; Wang, Qian; Rudolph, Matthias; Rominger, Frank; Hashmi, A Stephen K","Gold-catalyzed intermolecular cyclocarboamination of ynamides with 1,3,5-triazinanes: en route to tetrahydropyrimidines.","Chemical communications (Cambridge, England)","2017","53","31","4304","4307","10.1039/c7cc00789b","","","1.54178","CuKα","","0.0627","0.0413","","","0.0992","0.1037","","","","","","0.896","","","","has coordinates,has disorder","196285","2020-10-21","18:00:00",""
"7119734","5.718","0.004","7.307","0.004","21.178","0.013","92.355","0.017","91.732","0.016","93.192","0.016","882.3","1","300","2","300","2","","","","","","","","5","P -1","-P 1","2","","","","- C15 H24 N2 O4 S -","- C15 H24 N2 O4 S -","- C30 H48 N4 O8 S2 -","2","1","","Rao Khandavilli, U. B.; Bhogala, Balakrishna R.; Maguire, Anita R.; Lawrence, Simon E.","Symmetry assisted tuning of bending and brittle multi-component forms of probenecid.","Chemical communications (Cambridge, England)","2017","53","23","3381","3384","10.1039/c7cc01091e","","","0.71073","MoKα","","0.1164","0.0708","","","0.1841","0.2091","","","","","","1.028","","","","has coordinates","194978","2020-10-21","18:00:00",""
"7119735","5.324","0.0011","7.8906","0.0014","23.599","0.005","85.158","0.009","83.687","0.007","70.746","0.006","929","0.3","300","2","300","2","","","","","","","","5","P -1","-P 1","2","Probenecid_4,4'-dipyridyl","","","- C18 H23 N2 O4 S -","- C18 H23 N2 O4 S -","- C36 H46 N4 O8 S2 -","2","1","","Rao Khandavilli, U. B.; Bhogala, Balakrishna R.; Maguire, Anita R.; Lawrence, Simon E.","Symmetry assisted tuning of bending and brittle multi-component forms of probenecid.","Chemical communications (Cambridge, England)","2017","53","23","3381","3384","10.1039/c7cc01091e","","","0.71073","MoKα","","0.0854","0.0579","","","0.143","0.1615","","","","","","1.029","","","","has coordinates,has disorder","194978","2020-10-21","18:00:00",""
"7119736","7.4752","0.0007","31.526","0.003","10.61","0.0009","90","","95.799","0.003","90","","2487.6","0.4","300","2","300","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C26 H28 N2 O4 S -","- C26 H28 N2 O4 S -","- C104 H112 N8 O16 S4 -","4","1","","Rao Khandavilli, U. B.; Bhogala, Balakrishna R.; Maguire, Anita R.; Lawrence, Simon E.","Symmetry assisted tuning of bending and brittle multi-component forms of probenecid.","Chemical communications (Cambridge, England)","2017","53","23","3381","3384","10.1039/c7cc01091e","","","0.71073","MoKα","","0.062","0.0419","","","0.1048","0.1166","","","","","","0.988","","","","has coordinates","194978","2020-10-21","18:00:00",""
"7119737","7.4241","0.0008","6.9988","0.0008","37.621","0.004","90","","94.21","0.004","90","","1949.5","0.4","300","2","300","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","PROBENECID_PYRIDINE","","","- C18 H24 N2 O4 S -","- C18 H24 N2 O4 S -","- C72 H96 N8 O16 S4 -","4","1","","Rao Khandavilli, U. B.; Bhogala, Balakrishna R.; Maguire, Anita R.; Lawrence, Simon E.","Symmetry assisted tuning of bending and brittle multi-component forms of probenecid.","Chemical communications (Cambridge, England)","2017","53","23","3381","3384","10.1039/c7cc01091e","","","0.71073","MoKα","","0.1119","0.0876","","","0.2346","0.2566","","","","","","1.064","","","","has coordinates","194978","2020-10-21","18:00:00",""
"7119738","29.72","0.06","37.891","0.016","37.65","0.03","90","","90","","90","","42398","9","293","2","293","2","","","","","","","","5","C 2 2 21","C 2c 2","20","","","","- C132 H72 N36 O27 Zn6 -","- C132 H72 N36 O27 Zn6 -","- C528 H288 N144 O108 Zn24 -","4","0.5","","Li, Pei-Zhou; Su, Jie; Liang, Jie; Liu, Jia; Zhang, Yuanyuan; Chen, Hongzhong; Zhao, Yanli","A highly porous metal-organic framework for large organic molecule capture and chromatographic separation.","Chemical communications (Cambridge, England)","2017","53","24","3434","3437","10.1039/c7cc01063j","","","1.54178","CuKα","","0.0865","0.0692","","","0.2004","0.2172","","","","","","1.038","","","","has coordinates","194939","2020-10-21","18:00:00",""
"7119739","10.748","0.008","11.615","0.009","15.531","0.012","103.493","0.011","107.633","0.01","97.17","0.011","1756","2","100","2","100","2","","","","","","","","6","P -1","-P 1","2","Al-HBPh3","","","- C37 H58 Al B N4 O2 -","- C37 H58 Al B N4 O2 -","- C74 H116 Al2 B2 N8 O4 -","2","1","","Mukherjee, Debabrata; Osseili, Hassan; Truong, Khai-Nghi; Spaniol, Thomas P.; Okuda, Jun","Ring-opening of cyclic ethers by aluminum hydridotriphenylborate.","Chemical communications (Cambridge, England)","2017","53","24","3493","3496","10.1039/c7cc01159h","","","0.71073","MoKα","","0.1335","0.0778","","","0.1795","0.2089","","","","","","1.025","","","","has coordinates","194940","2020-10-21","18:00:00",""
"7119740","9.8159","0.0018","10.726","0.002","13.269","0.002","87.579","0.004","75.801","0.003","83.365","0.003","1345.1","0.4","100","2","100","2","","","","","","","","5","P -1","-P 1","2","HO-AlBPh3","","","- C29 H42 Al B N4 -","- C29 H42 Al B N4 -","- C58 H84 Al2 B2 N8 -","2","1","","Mukherjee, Debabrata; Osseili, Hassan; Truong, Khai-Nghi; Spaniol, Thomas P.; Okuda, Jun","Ring-opening of cyclic ethers by aluminum hydridotriphenylborate.","Chemical communications (Cambridge, England)","2017","53","24","3493","3496","10.1039/c7cc01159h","","","0.71073","MoKα","","0.0793","0.0592","","","0.1361","0.1454","","","","","","1.035","","","","has coordinates","194940","2020-10-21","18:00:00",""
"7119741","18.165","0.003","10.8543","0.001","20.384","0.003","90","","109.934","0.017","90","","3778.3","1","298","2","298","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","TpEDA","","","- C32 H48 N6 O10 S4 -","- C32 H48 N6 O10 S4 -","- C128 H192 N24 O40 S16 -","4","0.5","","Karak, Suvendu; Kumar, Sushil; Bera, Saibal; Díaz, David Díaz; Banerjee, Subhrashis; Vanka, Kumar; Banerjee, Rahul","Interplaying anions in a supramolecular metallohydrogel to form metal organic frameworks.","Chemical communications (Cambridge, England)","2017","53","26","3705","3708","10.1039/c7cc00539c","","x-ray","0.71073","MoKα","","0.1434","0.1026","","","0.2777","0.3271","","","","","","1.034","","","","has coordinates","194967","2020-10-21","18:00:00",""
"7119742","14.666","0.002","14.666","0.002","12.2227","0.0015","90","","90","","120","","2276.8","0.5","298","2","298","2","","","","","","","","4","P 63/m","-P 6c","176","","","","- C42 H63 N9 O9 -","- C42 H63 N9 O9 -","- C84 H126 N18 O18 -","2","0.166667","","Karak, Suvendu; Kumar, Sushil; Bera, Saibal; Díaz, David Díaz; Banerjee, Subhrashis; Vanka, Kumar; Banerjee, Rahul","Interplaying anions in a supramolecular metallohydrogel to form metal organic frameworks.","Chemical communications (Cambridge, England)","2017","53","26","3705","3708","10.1039/c7cc00539c","","","1.54184","CuKα","","0.2057","0.1063","","","0.2656","0.3536","","","","","","1.02","","","","has coordinates,has disorder","194967","2020-10-21","18:00:00",""
"7119743","10.866","0.0017","10.866","0.0017","43.37","0.03","90","","90","","120","","4435","3","298","2","298","2","","","","","","","","4","R -3 c","-R 3 2""c","167","","","","- C62 H81 N12 O13 -","- C62 H81 N12 O13 -","- C186 H243 N36 O39 -","3","","","Karak, Suvendu; Kumar, Sushil; Bera, Saibal; Díaz, David Díaz; Banerjee, Subhrashis; Vanka, Kumar; Banerjee, Rahul","Interplaying anions in a supramolecular metallohydrogel to form metal organic frameworks.","Chemical communications (Cambridge, England)","2017","53","26","3705","3708","10.1039/c7cc00539c","","","1.54184","CuKα","","0.1596","0.1098","","","0.2678","0.3043","","","","","","1.078","","","","has coordinates,has disorder","194967","2020-10-21","18:00:00",""
"7119744","22.752","0.004","12.9206","0.0016","11.2524","0.0013","90","","90","","90","","3307.9","0.8","298","2","298","2","","","","","","","","4","I m m b","-I 2a 2a","74","","","","- C27 H42 N6 O16 -","- C27 H42 N6 O16 -","- C108 H168 N24 O64 -","4","0.25","","Karak, Suvendu; Kumar, Sushil; Bera, Saibal; Díaz, David Díaz; Banerjee, Subhrashis; Vanka, Kumar; Banerjee, Rahul","Interplaying anions in a supramolecular metallohydrogel to form metal organic frameworks.","Chemical communications (Cambridge, England)","2017","53","26","3705","3708","10.1039/c7cc00539c","","x-ray","1.54184","CuKα","","0.1641","0.1359","","","0.426","0.4806","","","","","","1.666","","","","has coordinates,has disorder","194967","2020-10-21","18:00:00",""
"7119745","10.4605","0.0008","20.3913","0.0013","14.1238","0.0008","90","","102.144","0.002","90","","2945.2","0.3","93","2","93","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C34 H28 O8 -","- C34 H28 O8 -","- C136 H112 O32 -","4","1","","Machida, Takashi; Taniguchi, Ryosuke; Oura, Tsuyoshi; Sada, Kazuki; Kokado, Kenta","Liquefaction-induced emission enhancement of tetraphenylethene derivatives.","Chemical communications (Cambridge, England)","2017","53","15","2378","2381","10.1039/c6cc09939d","","","0.71075","MoKα","","0.1279","0.0626","","","0.163","0.23","","","","","","1.078","","","","has coordinates","193654","2020-10-21","18:00:00",""
"7119747","9.6317","0.0003","15.5277","0.0006","16.0905","0.0005","90","","92.4928","0.0012","90","","2404.19","0.14","153","2","153","2","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","","","- C30 H28 O4 -","- C30 H28 O4 -","- C120 H112 O16 -","4","1","","Machida, Takashi; Taniguchi, Ryosuke; Oura, Tsuyoshi; Sada, Kazuki; Kokado, Kenta","Liquefaction-induced emission enhancement of tetraphenylethene derivatives.","Chemical communications (Cambridge, England)","2017","53","15","2378","2381","10.1039/c6cc09939d","","","0.71075","MoKα","","0.063","0.051","","","0.1073","0.113","","","","","","1.055","","","","has coordinates","193655","2020-10-21","18:00:00",""
"7119748","7.8148","0.0008","10.2559","0.0011","14.9546","0.0015","90","","101.525","0.003","90","","1174.4","0.2","296","2","296","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C13 H12 F3 N O -","- C13 H12 F3 N O -","- C52 H48 F12 N4 O4 -","4","1","","Borah, Arun Jyoti; Shi, Zhuangzhi","Palladium-catalyzed regioselective C-H fluoroalkylation of indoles at the C4-position.","Chemical communications (Cambridge, England)","2017","53","28","3945","","10.1039/c7cc01274h","","","0.71073","MoKα","","0.0499","0.0445","","","0.1177","0.1227","","","","","","1.035","","","","has coordinates","194921","2020-10-21","18:00:00",""
"7119749","12.249","0.002","23.638","0.005","22.255","0.005","90","","99.06","0.03","90","","6363","2","113","2","113.15","","","","","","","","","11","P 1 21/c 1","-P 2ybc","14","","","","- C64 H59 B2 Cl2 F8 Fe N Ni O2 P4 S2 -","- C64 H59 B2 Cl2 F8 Fe N Ni O2 P4 S2 -","- C256 H236 B8 Cl8 F32 Fe4 N4 Ni4 O8 P16 S8 -","4","1","","Song, Li-Cheng; Yang, Xi-Yue; Cao, Meng; Gao, Xiu-Yun; Liu, Bei-Bei; Zhu, Liang; Jiang, Feng","Dithiolato-bridged nickel-iron complexes as models for the active site of [NiFe]-hydrogenases.","Chemical communications (Cambridge, England)","2017","53","27","3818","3821","10.1039/c7cc00149e","","","0.71073","MoKα","","0.0476","0.0396","","","0.0902","0.0949","","","","","","1.062","","","","has coordinates,has disorder","194946","2020-10-21","18:00:00",""
"7119750","14.4664","0.0018","15.2948","0.0017","15.8846","0.0015","91.325","0.002","102.625","0.002","114.931","0.002","3083.6","0.6","113","","113","","","","","","","","","10","P -1","-P 1","2","","","","- C66 H65.5 B F4 Fe N Ni O2.5 P4 S2 -","- C66 H65.5 B F4 Fe N Ni O2.5 P4 S2 -","- C132 H131 B2 F8 Fe2 N2 Ni2 O5 P8 S4 -","2","1","","Song, Li-Cheng; Yang, Xi-Yue; Cao, Meng; Gao, Xiu-Yun; Liu, Bei-Bei; Zhu, Liang; Jiang, Feng","Dithiolato-bridged nickel-iron complexes as models for the active site of [NiFe]-hydrogenases.","Chemical communications (Cambridge, England)","2017","53","27","3818","3821","10.1039/c7cc00149e","","","0.71073","MoKα","","0.0504","0.0421","","","0.0981","0.1053","","","","","","1.102","","","","has coordinates","194946","2020-10-21","18:00:00",""
"7119751","12.8843","0.0012","16.7478","0.0012","17.1899","0.0013","72.238","0.006","88.64","0.006","81.428","0.006","3492.1","0.5","113","","113","","","","","","","","","10","P -1","-P 1","2","","","","- C139 H147 B2 F8 Fe2 N2 Ni2 O9.5 P8 S4 -","- C139 H147 B2 F8 Fe2 N2 Ni2 O9.5 P8 S4 -","- C139 H147 B2 F8 Fe2 N2 Ni2 O9.5 P8 S4 -","1","0.5","","Song, Li-Cheng; Yang, Xi-Yue; Cao, Meng; Gao, Xiu-Yun; Liu, Bei-Bei; Zhu, Liang; Jiang, Feng","Dithiolato-bridged nickel-iron complexes as models for the active site of [NiFe]-hydrogenases.","Chemical communications (Cambridge, England)","2017","53","27","3818","3821","10.1039/c7cc00149e","","","0.71073","MoKα","","0.0432","0.0378","","","0.113","0.1164","","","","","","1.06","","","","has coordinates,has disorder","194946","2020-10-21","18:00:00",""
"7119752","38.8511","0.0003","38.8511","0.0003","18.7521","0.0008","90","","90","","90","","28304.6","1.2","293","2","293","2","","","","","","","","5","I -4 2 d","I -4 2bw","122","","","","- C105 H168 N22 O52 Zr6 -","- C57 H36 N6 O34 Zr6 -","- C456 H288 N48 O272 Zr48 -","8","0.5","","Liu, Chun-Sen; Zhang, Zhi-Hong; Chen, Min; Zhao, Hui; Duan, Feng-He; Chen, Di-Ming; Wang, Ming-Hua; Zhang, Shuai; Du, Miao","Pore modulation of zirconium-organic frameworks for high-efficiency detection of trace proteins.","Chemical communications (Cambridge, England)","2017","53","28","3941","","10.1039/c7cc00029d","","","1.54178","CuKα","","0.0934","0.0494","","","0.1159","0.1422","","","","","","0.954","","","","has coordinates,has disorder","194923","2020-10-21","18:00:00",""
"7119753","38.9025","0.0007","38.9025","0.0007","18.9223","0.0011","90","","90","","90","","28637.1","1.8","293","2","293","2","","","","","","","","5","I -4 2 d","I -4 2bw","122","","","","- C104 H145 N19 O55 Zr6 -","- C74 H39 N9 O34 Zr6 -","- C592 H312 N72 O272 Zr48 -","8","0.5","","Liu, Chun-Sen; Zhang, Zhi-Hong; Chen, Min; Zhao, Hui; Duan, Feng-He; Chen, Di-Ming; Wang, Ming-Hua; Zhang, Shuai; Du, Miao","Pore modulation of zirconium-organic frameworks for high-efficiency detection of trace proteins.","Chemical communications (Cambridge, England)","2017","53","28","3941","","10.1039/c7cc00029d","","x-ray","1.54184","CuKα","","0.0648","0.0558","","","0.1513","0.1611","","","","","","1.02","","","","has coordinates,has disorder","194923","2020-10-21","18:00:00",""
"7119754","11.8785","0.0007","16.1043","0.0011","27.3233","0.0016","90","","90","","90","","5226.8","0.6","103","2","103","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C29 H27 Br N2 O4 -","- C29 H27 Br N2 O4 -","- C232 H216 Br8 N16 O32 -","8","1","","Xu, Jianfeng; Yuan, Shiru; Peng, Jingyi; Miao, Maozhong; Chen, Zhengkai; Ren, Hongjun","Enantioselective [2+2] annulation of simple aldehydes with isatin-derived ketimines via oxidative N-heterocyclic carbene catalysis.","Chemical communications (Cambridge, England)","2017","53","24","3430","3433","10.1039/c7cc01232b","","","0.71073","","","0.0841","0.0523","","","0.1084","0.1187","","","","","","1.082","","","","has coordinates","194933","2020-10-21","18:00:00",""
"7119755","5.721406","","5.721406","","9.298237","","90","","90","","90","","304.373","","","","","","","","","","","","","3","I 41/a m d :2","-I 4bd 2","141","","","","- Mg0.25 Mn0.5 O -","- Mg0.25025 Mn0.49975 O -","- Mg4.004 Mn7.996 O16 -","16","0.5","","Yin, Jiefu; Brady, Alexander B.; Takeuchi, Esther S.; Marschilok, Amy C.; Takeuchi, Kenneth J.","Magnesium-ion battery-relevant electrochemistry of MgMn2O4: crystallite size effects and the notable role of electrolyte water content.","Chemical communications (Cambridge, England)","2017","53","26","3665","3668","10.1039/c7cc00265c","powder diffraction","","","","","","","","","","","","","","","","","","","","has coordinates","194959","2020-10-21","18:00:00",""
"7119756","5.753355","","5.753355","","9.132367","","90","","90","","90","","302.291","","","","","","","","","","","","","3","I 41/a m d :2","-I 4bd 2","141","","","","- Mg Mn2 O4 -","- Mg0.9996 Mn2.0004 O4 -","- Mg3.9984 Mn8.0016 O16 -","4","0.125","","Yin, Jiefu; Brady, Alexander B.; Takeuchi, Esther S.; Marschilok, Amy C.; Takeuchi, Kenneth J.","Magnesium-ion battery-relevant electrochemistry of MgMn2O4: crystallite size effects and the notable role of electrolyte water content.","Chemical communications (Cambridge, England)","2017","53","26","3665","3668","10.1039/c7cc00265c","powder diffraction","","","","","","","","","","","","","","","","","","","","has coordinates","194959","2020-10-21","18:00:00",""
"7119757","14.779","0.008","15.437","0.008","17.69","0.009","92.382","0.007","109.532","0.006","112.414","0.0006","3449","3","223","2","223","2","","","","","","","","5","P -1","-P 1","2","cyclo[2](2,6-di(1H-imidazol-1-yl)pyridine)[2](1,4-dimethylenebenzene) _ 4 3-aminobenzenesulfonate anion_ 8.5 H2O","","","- C62 H58 N14 O20.5 S4 -","- C62 H58 N14 O20.5 S4 -","- C124 H116 N28 O41 S8 -","2","1","","Wang, Cai-Ling; Zhou, Li; Zhang, Lei; Xiang, Jun-Feng; Rambo, Brett M.; Sessler, Jonathan L.; Gong, Han-Yuan","Discrete 1 : 1 complexes and higher order assemblies formed from aminobenzene sulphonate anions and a tetraimidazolium ""molecular box"".","Chemical communications (Cambridge, England)","2017","53","26","3669","3672","10.1039/c7cc01114h","","","0.71073","MoKα","","0.0883","0.0733","","","0.1677","0.1804","","","","","","1.025","","","","has coordinates,has disorder","194960","2020-10-21","18:00:00",""
"7119758","18.6425","0.0012","38.357","0.002","45.95","0.003","90","","91.491","0.001","90","","32846","3","296","2","296.15","","","","","","","","","7","C 1 2/c 1","-C 2yc","15","","","","- C6 H108 Eu3 K3 N18 Nb48 O174 -","- C6 H36 Eu3 K3 N18 Nb48 O174 -","- C24 H144 Eu12 K12 N72 Nb192 O696 -","4","0.5","","Chen, Shumin; Ma, Pengtao; Luo, Huihui; Wang, Yangyang; Niu, Jingyang; Wang, Jingping","A luminescent polyoxoniobate lanthanide derivative {Eu3(H2O)9[Nb48O138(H2O)6]}(27-) .","Chemical communications (Cambridge, England)","2017","53","26","3709","3712","10.1039/c7cc00591a","","","0.71073","MoKα","","0.0934","0.0701","","","0.1842","0.2048","","","","","","1.072","","","","has coordinates,has disorder","194963","2020-10-21","18:00:00",""
"7119759","11.6508","0.0002","13.8642","0.0002","16.6288","0.0003","90","","90","","90","","2686.03","0.08","130","","130","","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C35 H29 N O3 -","- C35 H29 N O3 -","- C140 H116 N4 O12 -","4","1","","Zhou, Ji; Wang, Mao-Lin; Gao, Xiang; Jiang, Guo-Fang; Zhou, Yong-Gui","Bifunctional squaramide-catalyzed synthesis of chiral dihydrocoumarins via ortho-quinone methides generated from 2-(1-tosylalkyl)phenols.","Chemical communications (Cambridge, England)","2017","53","25","3531","3534","10.1039/c7cc01072a","","","1.54178","CuKα","","0.0503","0.0491","","","0.1252","0.1266","","","","","","1.049","","","","has coordinates","194970","2020-10-21","18:00:00",""
"7119760","17.93704","0.00009","30.59463","0.00014","18.10622","0.00009","90","","90","","90","","9936.28","0.08","100","2","100","","","","","","","","","7","P c c n","-P 2ab 2ac","56","","","","- C55 H42 F7 N O6 P3 S2 -","- C55 H42 F7 N O6 P3 S2 -","- C440 H336 F56 N8 O48 P24 S16 -","8","1","","Yogendra, S.; Hennersdorf, F.; Bauzá, A; Frontera, A.; Fischer, R.; Weigand, J. J.","Carbodiphosphorane mediated synthesis of a triflyloxyphosphonium dication and its reactivity towards nucleophiles.","Chemical communications (Cambridge, England)","2017","53","20","2954","2957","10.1039/c7cc00982h","","x-ray","1.54184","CuKα","","0.0283","0.0269","","","0.0698","0.0708","","","","","","1.027","","","","has coordinates","194066","2020-10-21","18:00:00",""
"7119761","22.6503","0.0008","21.0918","0.0007","19.7027","0.0007","90","","98.32","0.001","90","","9313.6","0.6","100","","100","","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C56 H44 F5 O4 P3 S -","- C56 H44 F5 O4 P3 S -","- C448 H352 F40 O32 P24 S8 -","8","1","","Yogendra, S.; Hennersdorf, F.; Bauzá, A; Frontera, A.; Fischer, R.; Weigand, J. J.","Carbodiphosphorane mediated synthesis of a triflyloxyphosphonium dication and its reactivity towards nucleophiles.","Chemical communications (Cambridge, England)","2017","53","20","2954","2957","10.1039/c7cc00982h","","","0.71073","MoKα","","0.0757","0.0472","","","0.1112","0.1272","","","","","","1.022","","","","has coordinates","194066","2020-10-21","18:00:00",""
"7119762","11.1377","0.0007","30.8211","0.0015","15.1641","0.0009","90","","99.058","0.002","90","","5140.6","0.5","100","","100","","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C52 H40 F9 O9 P3 S3 -","- C52 H40 F9 O9 P3 S3 -","- C208 H160 F36 O36 P12 S12 -","4","1","","Yogendra, S.; Hennersdorf, F.; Bauzá, A; Frontera, A.; Fischer, R.; Weigand, J. J.","Carbodiphosphorane mediated synthesis of a triflyloxyphosphonium dication and its reactivity towards nucleophiles.","Chemical communications (Cambridge, England)","2017","53","20","2954","2957","10.1039/c7cc00982h","","","0.71073","MoKα","","0.1237","0.0796","","","0.1787","0.1997","","","","","","1.059","","","","has coordinates","194066","2020-10-21","18:00:00",""
"7119763","14.864","0.002","15.907","0.003","20.806","0.003","90","","104.742","0.008","90","","4757.5","1.3","100","","100","","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C56 H45 F4 O3 P3 S -","- C56 H45 F4 O3 P3 S -","- C224 H180 F16 O12 P12 S4 -","4","1","","Yogendra, S.; Hennersdorf, F.; Bauzá, A; Frontera, A.; Fischer, R.; Weigand, J. J.","Carbodiphosphorane mediated synthesis of a triflyloxyphosphonium dication and its reactivity towards nucleophiles.","Chemical communications (Cambridge, England)","2017","53","20","2954","2957","10.1039/c7cc00982h","","","0.71073","MoKα","","0.0508","0.037","","","0.0871","0.0948","","","","","","1.018","","","","has coordinates,has disorder","194066","2020-10-21","18:00:00",""
"7119764","19.27568","0.00007","19.40125","0.00007","30.8759","0.00013","90","","100.47","0.0004","90","","11354.5","0.08","100","0.2","100","0.2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C63 H51 F8 O7 P3 S2 -","- C63 H51 F8 O7 P3 S2 -","- C504 H408 F64 O56 P24 S16 -","8","2","","Yogendra, S.; Hennersdorf, F.; Bauzá, A; Frontera, A.; Fischer, R.; Weigand, J. J.","Carbodiphosphorane mediated synthesis of a triflyloxyphosphonium dication and its reactivity towards nucleophiles.","Chemical communications (Cambridge, England)","2017","53","20","2954","2957","10.1039/c7cc00982h","","x-ray","1.54184","CuKα","","0.0379","0.0368","","","0.1034","0.1044","","","","","","1.028","","","","has coordinates,has disorder","194066","2020-10-21","18:00:00",""
"7119765","15.8033","0.0011","19.1016","0.0011","19.2535","0.0013","90","","102.32","0.004","90","","5678.2","0.6","100","","100","","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C61.36 H46.91 F10.45 O6 P3 S2 -","- C61.362 H46.908 F10.454 O6 P3 S2 -","- C245.448 H187.632 F41.816 O24 P12 S8 -","4","1","","Yogendra, S.; Hennersdorf, F.; Bauzá, A; Frontera, A.; Fischer, R.; Weigand, J. J.","Carbodiphosphorane mediated synthesis of a triflyloxyphosphonium dication and its reactivity towards nucleophiles.","Chemical communications (Cambridge, England)","2017","53","20","2954","2957","10.1039/c7cc00982h","","","0.71073","MoKα","","0.104","0.0632","","","0.1608","0.1868","","","","","","1.032","","","","has coordinates,has disorder","194066","2020-10-21","18:00:00",""
"7119766","13.3116","0.0002","21.2851","0.0003","19.4915","0.0003","90","","93.0535","0.0014","90","","5514.86","0.14","100.01","0.1","100.01","0.1","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C61 H47.5 F7.5 N O6 P3 S3 -","- C61 H47.5 F7.5 N O6 P3 S3 -","- C244 H190 F30 N4 O24 P12 S12 -","4","1","","Yogendra, S.; Hennersdorf, F.; Bauzá, A; Frontera, A.; Fischer, R.; Weigand, J. J.","Carbodiphosphorane mediated synthesis of a triflyloxyphosphonium dication and its reactivity towards nucleophiles.","Chemical communications (Cambridge, England)","2017","53","20","2954","2957","10.1039/c7cc00982h","","x-ray","1.54184","CuKα","","0.0996","0.0992","","","0.225","0.2252","","","","","","1.149","","","","has coordinates,has disorder","194066","2020-10-21","18:00:00",""
"7119767","23.6628","0.0005","10.00738","0.00016","40.5816","0.0008","90","","108.008","0.002","90","","9139.1","0.3","100","0.2","100","0.2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C9 H10 F6 N2 O5 S2 -","- C9 H10 F6 N2 O5 S2 -","- C216 H240 F144 N48 O120 S48 -","24","3","","Yogendra, S.; Hennersdorf, F.; Bauzá, A; Frontera, A.; Fischer, R.; Weigand, J. J.","Carbodiphosphorane mediated synthesis of a triflyloxyphosphonium dication and its reactivity towards nucleophiles.","Chemical communications (Cambridge, England)","2017","53","20","2954","2957","10.1039/c7cc00982h","","x-ray","1.54184","CuKα","","0.0642","0.0603","","","0.1674","0.1735","","","","","","1.028","","","","has coordinates,has disorder","194066","2020-10-21","18:00:00",""
"7119768","9.1678","0.0003","10.6276","0.0004","15.2706","0.0005","90","","94.576","0.002","90","","1483.1","0.09","100","2","99.99","","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C9 H10 F6 N2 O5 S2 -","- C9 H10 F6 N2 O5 S2 -","- C36 H40 F24 N8 O20 S8 -","4","1","","Yogendra, S.; Hennersdorf, F.; Bauzá, A; Frontera, A.; Fischer, R.; Weigand, J. J.","Carbodiphosphorane mediated synthesis of a triflyloxyphosphonium dication and its reactivity towards nucleophiles.","Chemical communications (Cambridge, England)","2017","53","20","2954","2957","10.1039/c7cc00982h","","","0.71073","MoKα","","0.0308","0.0283","","","0.0698","0.0716","","","","","","1.056","","","","has coordinates","194066","2020-10-21","18:00:00",""
"7119769","25.738","0.008","5.4772","0.0017","15.984","0.005","90","","97.927","0.005","90","","2231.8","1.2","296","2","296","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C25 H20 Br2 N2 O3 -","- C25 H20 Br2 N2 O3 -","- C100 H80 Br8 N8 O12 -","4","1","","Qian, Ping; Deng, Yu; Mei, Haibo; Han, Jianlin; Pan, Yi","Metal-free nitroxyl radical-mediated β-C(sp(3))-H amination of saturated ketones with heteroaryl halides: multiple roles of TEMPO.","Chemical communications (Cambridge, England)","2017","53","20","2958","2961","10.1039/c7cc00145b","","","0.71073","MoKα","","0.0709","0.0458","","","0.1419","0.1768","","","","","","1.096","","","","has coordinates","194067","2020-10-21","18:00:00",""
"7119770","18.2714","0.0004","9.6175","0.0002","22.3182","0.0005","90","","90","","90","","3921.87","0.15","173","2","173","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C50 H38 N2 P2 Pt -","- C50 H38 N2 P2 Pt -","- C200 H152 N8 P8 Pt4 -","4","0.5","","Zhang, Fan; Adolf, Cyril R. R.; Zigon, Nicolas; Ferlay, Sylvie; Kyritsakas, Nathalie; Hosseini, Mir Wais","Molecular tectonics: hierarchical organization of heterobimetallic coordination networks into heterotrimetallic core-shell crystals.","Chemical communications (Cambridge, England)","2017","53","25","3587","3590","10.1039/c7cc01455d","","","0.71073","MoKα","","0.0444","0.0218","","","0.0652","0.0827","","","","","","1.025","","","","has coordinates","194974","2020-10-21","18:00:00",""
"7119771","13.136","0.0007","24.1095","0.001","15.3736","0.0007","90","","95.944","0.002","90","","4842.7","0.4","173","2","173","2","","","","","","","","8","P 1 21/c 1","-P 2ybc","14","","","","- C50 H40 Cl2 Co N2 O P2 Pt -","- C50 H38 Cl2 Co N2 O P2 Pt -","- C200 H152 Cl8 Co4 N8 O4 P8 Pt4 -","4","1","","Zhang, Fan; Adolf, Cyril R. R.; Zigon, Nicolas; Ferlay, Sylvie; Kyritsakas, Nathalie; Hosseini, Mir Wais","Molecular tectonics: hierarchical organization of heterobimetallic coordination networks into heterotrimetallic core-shell crystals.","Chemical communications (Cambridge, England)","2017","53","25","3587","3590","10.1039/c7cc01455d","","","0.71073","MoKα","","0.0819","0.0528","","","0.1309","0.1439","","","","","","1.015","","","","has coordinates","194974","2020-10-21","18:00:00",""
"7119772","9.5894","0.0003","9.6957","0.0004","24.172","0.0009","95.127","0.001","91.485","0.001","98.31","0.0011","2213.2","0.14","173","2","173","2","","","","","","","","7","P -1","-P 1","2","","","","- C50 H38 Br2 Co N2 P2 Pt -","- C50 H38 Br2 Co N2 P2 Pt -","- C100 H76 Br4 Co2 N4 P4 Pt2 -","2","1","","Zhang, Fan; Adolf, Cyril R. R.; Zigon, Nicolas; Ferlay, Sylvie; Kyritsakas, Nathalie; Hosseini, Mir Wais","Molecular tectonics: hierarchical organization of heterobimetallic coordination networks into heterotrimetallic core-shell crystals.","Chemical communications (Cambridge, England)","2017","53","25","3587","3590","10.1039/c7cc01455d","","","0.71073","MoKα","","0.0422","0.0326","","","0.0769","0.0811","","","","","","1.02","","","","has coordinates","194974","2020-10-21","18:00:00",""
"7119773","9.5502","0.0004","9.6247","0.0004","24.0632","0.0008","95.2473","0.001","91.686","0.001","98.524","0.0011","2176.16","0.15","173","2","173","2","","","","","","","","7","P -1","-P 1","2","","","","- C50 H38 Cl2 N2 P2 Pt Zn -","- C50 H38 Cl2 N2 P2 Pt Zn -","- C100 H76 Cl4 N4 P4 Pt2 Zn2 -","2","1","","Zhang, Fan; Adolf, Cyril R. R.; Zigon, Nicolas; Ferlay, Sylvie; Kyritsakas, Nathalie; Hosseini, Mir Wais","Molecular tectonics: hierarchical organization of heterobimetallic coordination networks into heterotrimetallic core-shell crystals.","Chemical communications (Cambridge, England)","2017","53","25","3587","3590","10.1039/c7cc01455d","","","0.71073","MoKα","","0.0509","0.0363","","","0.0797","0.085","","","","","","1.025","","","","has coordinates","194974","2020-10-21","18:00:00",""
"7119774","17.7964","0.0003","20.6944","0.0005","21.5845","0.0004","109.368","0.002","106.354","0.002","104.44","0.002","6660.2","0.3","150","10","150","10","","","","","","","","5","P -1","-P 1","2","","","","- C122 H137 Cl6 N3 O8 -","- C122 H137 Cl6 N3 O8 -","- C244 H274 Cl12 N6 O16 -","2","1","","Chen, Hong-Yu; Gou, Meng; Wang, Jiao-Bing","De novo endo-functionalized organic cages as cooperative multi-hydrogen-bond-donating catalysts.","Chemical communications (Cambridge, England)","2017","53","25","3524","3526","10.1039/c7cc00938k","","","1.54184","CuKα","","0.1054","0.096","","","0.3046","0.3294","","","","","","1.009","","","","has coordinates,has disorder","194975","2020-10-21","18:00:00",""
"7119775","19.5091","0.0012","19.9327","0.0012","26.1996","0.0016","90","","90","","90","","10188.2","1.1","296","2","296","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C58 H58 Cu2 N4 O0 -","- C58 H58 Cu2 N4 -","- C464 H464 Cu16 N32 -","8","1","","Jin, Liqun; Hao, Wangfang; Xu, Jianeng; Sun, Nan; Hu, Baoxiang; Shen, Zhenlu; Mo, Weimin; Hu, Xinquan","N-Heterocyclic carbene copper-catalyzed direct alkylation of terminal alkynes with non-activated alkyl triflates.","Chemical communications (Cambridge, England)","2017","53","29","4124","4127","10.1039/c7cc00891k","","","0.71073","MoKα","","0.2486","0.1987","","","0.3723","0.4024","","","","","","1.358","","","","has coordinates","196257","2020-10-21","18:00:00",""
"7119776","5.9676","0.0016","16.491","0.004","16.558","0.005","97.004","0.004","93.026","0.004","92.51","0.003","1613","0.8","296","2","296","2","","","","","","","","5","P -1","-P 1","2","","","","- C32 H45 N O5 S -","- C32 H45 N O5 S -","- C64 H90 N2 O10 S2 -","2","1","","Zhou, Nan; Feng, Tian; Shen, Xin; Cui, Jiahui; Wu, Rangxin; Wang, Libin; Wang, Siwang; Zhang, Shengyong; Chen, Hui","Synthesis, characterization, and radioprotective activity of α, β-unsaturated aryl sulfones analogs and their Tempol conjugates","Med. Chem. Commun.","2017","","","","","10.1039/C7MD00017K","","","0.71073","MoKα","","0.093","0.0508","","","0.1111","0.1248","","","","","","1.066","","","","has coordinates,has disorder","194121","2020-10-21","18:00:00",""
"7119777","23.6905","0.0018","12.9222","0.001","8.2629","0.0006","90","","92.98","0.002","90","","2526.1","0.3","296","2","296","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C25 H29 Cl N O5 S -","- C25 H29 Cl N O5 S -","- C100 H116 Cl4 N4 O20 S4 -","4","1","","Zhou, Nan; Feng, Tian; Shen, Xin; Cui, Jiahui; Wu, Rangxin; Wang, Libin; Wang, Siwang; Zhang, Shengyong; Chen, Hui","Synthesis, characterization, and radioprotective activity of α, β-unsaturated aryl sulfones analogs and their Tempol conjugates","Med. Chem. Commun.","2017","","","","","10.1039/C7MD00017K","","","0.71073","MoKα","","0.0685","0.0462","","","0.14","0.1685","","","","","","1.078","","","","has coordinates","194121","2020-10-21","18:00:00",""
"7119778","8.7758","0.0003","10.3761","0.0004","16.7996","0.0006","90","","90","","90","","1529.75","0.1","104.8","","104.8","","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C17 H15 Cl N2 O3 -","- C17 H15 Cl N2 O3 -","- C68 H60 Cl4 N8 O12 -","4","1","","Yang, Dongyan; wan, chuan; He, Mengmeng; Che, chuanliang; Xiao, Yumei; bin, fu; Qin, Zhaohai","Design, synthesis, crystal structure and fungicidal activity of (E)-5-(methoxyimino)-3,5-dihydrobenzo[e][1,2]oxazepin-4(1H)-one analogues","Med. Chem. Commun.","2017","","","","","10.1039/C7MD00025A","","","0.7107","MoKα","","0.0337","0.0306","","","0.0655","0.0675","","","","","","1.043","","","","has coordinates","194122","2020-10-21","18:00:00",""
"7119779","29.9341","0.0013","28.039","0.0013","7.9233","0.0004","90","","90","","90","","6650.2","0.5","100","2","100","2","","","","","","","","6","C m c m","-C 2c 2","63","","SIFSIX-15-Cu-i","","- C40 H24 Cu F6 N4 Si -","- C40 H24 Cu F6 N4 Si -","- C160 H96 Cu4 F24 N16 Si4 -","4","0.25","","Bajpai, Alankriti; Lusi, Matteo; Zaworotko, Michael J.","The role of weak interactions in controlling the mode of interpenetration in hybrid ultramicroporous materials.","Chemical communications (Cambridge, England)","2017","53","28","3978","","10.1039/c6cc10217d","","","1.54178","CuKα","","0.1151","0.1026","","","0.2759","0.2877","","","","","","1.041","","","","has coordinates","194927","2020-10-21","18:00:00",""
"7119780","29.756","0.004","29","0.004","7.6262","0.0011","90","","90","","90","","6580.8","1.6","100","2","100","2","","","","","","","","7","C m c m","-C 2c 2","63","","","","- C41 H24 F6 N4 O Si Zn -","- C41 H24 F6 N4 O Si Zn -","- C164 H96 F24 N16 O4 Si4 Zn4 -","4","0.25","","Bajpai, Alankriti; Lusi, Matteo; Zaworotko, Michael J.","The role of weak interactions in controlling the mode of interpenetration in hybrid ultramicroporous materials.","Chemical communications (Cambridge, England)","2017","53","28","3978","","10.1039/c6cc10217d","","","1.54178","CuKα","","0.1867","0.1558","","","0.3735","0.3922","","","","","","1.08","","","","has coordinates","194927","2020-10-21","18:00:00",""
"7119781","24.9961","0.0007","24.9961","0.0007","7.4414","0.0002","90","","90","","90","","4649.4","0.2","101","2","101","2","","","","","","","","7","I 4/m m m","-I 4 2","139","","","","- C52 H16 F6 N4 O4 Si Zn -","- C52 H16 F6 N4 O4 Si Zn -","- C104 H32 F12 N8 O8 Si2 Zn2 -","2","0.0625","","Bajpai, Alankriti; Lusi, Matteo; Zaworotko, Michael J.","The role of weak interactions in controlling the mode of interpenetration in hybrid ultramicroporous materials.","Chemical communications (Cambridge, England)","2017","53","28","3978","","10.1039/c6cc10217d","","","1.54178","CuKα","","0.0784","0.074","","","0.1987","0.2024","","","","","","1.087","","","","has coordinates,has disorder","194927","2020-10-21","18:00:00",""
"7119782","10.9103","0.0002","12.8039","0.0003","12.816","0.0003","94.2055","0.0015","104.224","0.0014","112.073","0.0014","1580.65","0.06","150.15","","150","2","","","","","","","","4","P 1","P 1","1","","","","- C42 H34 O2 Si -","- C42 H34 O2 Si -","- C84 H68 O4 Si2 -","2","2","","Nakagawa, Yoko; Chanthamath, Soda; Fujisawa, Ikuhide; Shibatomi, Kazutaka; Iwasa, Seiji","Ru(ii)-Pheox-catalyzed Si-H insertion reaction: construction of enantioenriched carbon and silicon centers.","Chemical communications (Cambridge, England)","2017","53","26","3753","3756","10.1039/c7cc01070b","","x-ray","1.54187","CuKα","","0.0439","0.0373","","","0.0927","0.1058","","","","","","1.076","","","","has coordinates","194962","2020-10-21","18:00:00",""
"7119783","7.8733","0.0003","11.1819","0.0004","29.729","0.0011","90","","90","","90","","2617.3","0.17","120","","120","","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C33 H32 O2 Si -","- C33 H32 O2 Si -","- C132 H128 O8 Si4 -","4","1","","Nakagawa, Yoko; Chanthamath, Soda; Fujisawa, Ikuhide; Shibatomi, Kazutaka; Iwasa, Seiji","Ru(ii)-Pheox-catalyzed Si-H insertion reaction: construction of enantioenriched carbon and silicon centers.","Chemical communications (Cambridge, England)","2017","53","26","3753","3756","10.1039/c7cc01070b","","x-ray","0.71069","MoKα","","0.0404","0.0382","","","0.095","0.0969","","","","","","1.054","","","","has coordinates","194962","2020-10-21","18:00:00",""
"7119784","16.3947","0.0016","14.8749","0.001","26.532","0.004","90","","92.863","0.013","90","","6462.3","1.2","150","2","150","2","","","","","","","synthesis as described","6","C 1 2/c 1","-C 2yc","15","","","","- C23 H23 Cl2 N8 O9.5 Ru2 -","- C23 H23 Cl2 N8 O9.5 Ru2 -","- C184 H184 Cl16 N64 O76 Ru16 -","8","1","","Lopez, Sarah; Rondot, Laurianne; Cavazza, Christine; Iannello, Marina; Boeri-Erba, Elisabetta; Burzlaff, Nicolai; Strinitz, Frank; Jorge-Robin, Adeline; Marchi-Delapierre, Caroline; Ménage, Stéphane","Efficient conversion of alkenes to chlorohydrins by a Ru-based artificial enzyme.","Chemical communications (Cambridge, England)","2017","53","25","3579","3582","10.1039/c6cc08873b","","x-ray","0.71073","MoKα","","0.104","0.0786","","","0.2055","0.2252","","","","","","1.361","","","","has coordinates,has disorder","194973","2020-10-21","18:00:00",""
"7119785","6.3044","0.0009","10.7952","0.0015","20.613","0.003","77.669","0.004","88.541","0.003","75.011","0.003","1323.2","0.3","293","2","293","2","","","","","","","","4","P -1","-P 1","2","","","","- C35 H29 N O -","- C35 H29 N O -","- C70 H58 N2 O2 -","2","1","","Zhao, Yulei; Xu, Murong; Zheng, Zhong; Yuan, Yang; Li, Yanzhong","Tertiary amine self-catalyzed intramolecular Csp3-H functionalization with in situ generated allenes for the formation of 3-alkenyl indolines.","Chemical communications (Cambridge, England)","2017","53","26","3721","3724","10.1039/c7cc00005g","","","0.71073","MoKα","","0.0717","0.0476","","","0.117","0.1316","","","","","","1.018","","","","has coordinates","194968","2020-10-21","18:00:00",""
"7119786","15.534","0.005","9.382","0.003","3.6126","0.0012","90","","90","","90","","526.5","0.3","100","2","100","2","","","","","","","","3","P n a 21","P 2c -2n","33","9H-purine","Purine","","- C5 H4 N4 -","- C5 H4 N4 -","- C20 H16 N16 -","4","1","","Ruggiero, Michael T.; Zeitler, J. Axel; Erba, Alessandro","Intermolecular anharmonicity in molecular crystals: interplay between experimental low-frequency dynamics and quantum quasi-harmonic simulations of solid purine.","Chemical communications (Cambridge, England)","2017","53","26","3781","3784","10.1039/c7cc00509a","","","0.71073","MoKα","","0.0595","0.0406","","","0.081","0.0871","","","","","","1.037","","","","has coordinates","194969","2020-10-21","18:00:00",""
"7119787","8.39686","0.00015","21.2421","0.0004","23.0334","0.0005","90","","90.312","0.0007","90","","4108.34","0.14","173","","173","","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C15 H14 F8 I N O3 S2 -","- C15 H14 F8 I N O3 S2 -","- C120 H112 F64 I8 N8 O24 S16 -","8","2","","Das, Prajwalita; Takada, Masahiro; Matsuzaki, Kohei; Saito, Norimichi; Shibata, Norio","SF5-Pyridylaryl-λ(3)-iodonium salts and their utility as electrophilic reagents to access SF5-pyridine derivatives in the late-stage of synthesis.","Chemical communications (Cambridge, England)","2017","53","27","3850","3853","10.1039/c7cc01043e","","","0.71075","MoKα","","","0.0277","","","","0.0724","","","","","","1.062","","","","has coordinates","194952","2020-10-21","18:00:00",""
"7119788","8.0521","0.0016","10.418","0.002","10.027","0.002","90","","96.73","0.03","90","","835.3","0.3","293","2","293","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C21 H19 N O2 -","- C21 H19 N O2 -","- C42 H38 N2 O4 -","2","1","","Cheng, Xing; Zhu, Lei; Lin, Meijun; Chen, Jianxin; Huang, Xueliang","Rapid access to cyclopentadiene derivatives through gold-catalyzed cycloisomerization of ynamides with cyclopropenes by preferential activation of alkenes over alkynes.","Chemical communications (Cambridge, England)","2017","53","26","3745","3748","10.1039/c7cc01368j","","","0.71073","MoKα","","0.0538","0.0396","","","0.0787","0.0844","","","","","","0.992","","","","has coordinates","194955","2020-10-21","18:00:00",""
"7119789","19.882","0.002","11.2489","0.0012","24.609","0.003","90","","111.666","0.005","90","","5115","1","296","2","296","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C19 H31 F3 O12 S -","- C19 H31 F3 O12 S -","- C152 H248 F24 O96 S8 -","8","2","","Ravi, Arthi; Hassan, Syed Zahid; Vanikrishna, Ajithkumar N.; Sureshan, Kana M.","Regioselective SN2 reactions for rapid syntheses of azido-inositols by one-pot sequence-specific nucleophilysis.","Chemical communications (Cambridge, England)","2017","53","28","3971","","10.1039/c7cc01219e","","","0.71073","MoKα","","0.1996","0.1276","","","0.3425","0.3736","","","","","","1.083","","","","has coordinates,has disorder","194926","2020-10-21","18:00:00",""
"7119790","11.8946","0.0003","17.0004","0.0005","21.7463","0.0008","90","","90","","90","","4397.4","0.2","296","2","296","2","","","","","","","","4","P b c n","-P 2n 2ab","60","","","","- C18 H31 N3 O9 -","- C18 H31 N3 O9 -","- C144 H248 N24 O72 -","8","1","","Ravi, Arthi; Hassan, Syed Zahid; Vanikrishna, Ajithkumar N.; Sureshan, Kana M.","Regioselective SN2 reactions for rapid syntheses of azido-inositols by one-pot sequence-specific nucleophilysis.","Chemical communications (Cambridge, England)","2017","53","28","3971","","10.1039/c7cc01219e","","","0.71073","MoKα","","0.1172","0.0525","","","0.1234","0.1495","","","","","","1.021","","","","has coordinates","194926","2020-10-21","18:00:00",""
"7119791","11.056","0.0004","12.577","0.0004","17.1284","0.0005","90","","91.265","0.002","90","","2381.15","0.13","296","2","296","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C19 H34 O12 S -","- C19 H34 O12 S -","- C76 H136 O48 S4 -","4","1","","Ravi, Arthi; Hassan, Syed Zahid; Vanikrishna, Ajithkumar N.; Sureshan, Kana M.","Regioselective SN2 reactions for rapid syntheses of azido-inositols by one-pot sequence-specific nucleophilysis.","Chemical communications (Cambridge, England)","2017","53","28","3971","","10.1039/c7cc01219e","","","0.71073","MoKα","","0.0609","0.0381","","","0.0949","0.1045","","","","","","0.958","","","","has coordinates","194926","2020-10-21","18:00:00",""
"7119792","11.401","0.002","22.024","0.005","11.813","0.003","90","","90","","90","","2966.2","1.1","296","2","296","2","","","","","","","","6","P n a 21","P 2c -2n","33","","","","- C20 H32 Cl3 F3 O12 S -","- C20 H32 Cl3 F3 O12 S -","- C80 H128 Cl12 F12 O48 S4 -","4","1","","Ravi, Arthi; Hassan, Syed Zahid; Vanikrishna, Ajithkumar N.; Sureshan, Kana M.","Regioselective SN2 reactions for rapid syntheses of azido-inositols by one-pot sequence-specific nucleophilysis.","Chemical communications (Cambridge, England)","2017","53","28","3971","","10.1039/c7cc01219e","","","0.71073","MoKα","","0.1575","0.0773","","","0.1873","0.2287","","","","","","1.021","","","","has coordinates","194926","2020-10-21","18:00:00",""
"7119793","25.8732","0.0015","7.1173","0.0004","12.9798","0.0007","90","","116.77","0.002","90","","2134","0.2","296","2","296","2","","","","","","","","3","C 1 2/c 1","-C 2yc","15","","","","- C18 H32 O12 -","- C18 H32 O12 -","- C72 H128 O48 -","4","0.5","","Ravi, Arthi; Hassan, Syed Zahid; Vanikrishna, Ajithkumar N.; Sureshan, Kana M.","Regioselective SN2 reactions for rapid syntheses of azido-inositols by one-pot sequence-specific nucleophilysis.","Chemical communications (Cambridge, England)","2017","53","28","3971","","10.1039/c7cc01219e","","","0.71073","MoKα","","0.0718","0.0463","","","0.1258","0.1393","","","","","","1.006","","","","has coordinates","194926","2020-10-21","18:00:00",""
"7119794","12.3487","0.0004","22.2829","0.0008","17.8108","0.0006","90","","105.944","0.002","90","","4712.4","0.3","296","2","296","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C18 H30 N6 O8 -","- C18 H30 N6 O8 -","- C144 H240 N48 O64 -","8","2","","Ravi, Arthi; Hassan, Syed Zahid; Vanikrishna, Ajithkumar N.; Sureshan, Kana M.","Regioselective SN2 reactions for rapid syntheses of azido-inositols by one-pot sequence-specific nucleophilysis.","Chemical communications (Cambridge, England)","2017","53","28","3971","","10.1039/c7cc01219e","","","0.71073","MoKα","","0.1109","0.0515","","","0.1354","0.1681","","","","","","0.976","","","","has coordinates","194926","2020-10-21","18:00:00",""
"7119795","6.7657","0.0003","13.1376","0.0007","11.8254","0.0006","90","","106.583","0.002","90","","1007.38","0.09","296","2","296","2","","","","","","","","3","P 1 n 1","P -2yac","7","","","","- C18 H32 O10 -","- C18 H32 O10 -","- C36 H64 O20 -","2","1","","Ravi, Arthi; Hassan, Syed Zahid; Vanikrishna, Ajithkumar N.; Sureshan, Kana M.","Regioselective SN2 reactions for rapid syntheses of azido-inositols by one-pot sequence-specific nucleophilysis.","Chemical communications (Cambridge, England)","2017","53","28","3971","","10.1039/c7cc01219e","","","0.71073","MoKα","","0.0698","0.0551","","","0.15","0.167","","","","","","1.045","","","","has coordinates","194926","2020-10-21","18:00:00",""
"7119796","17.375","0.002","16.966","0.002","43.501","0.005","90","","97.576","0.006","90","","12711","3","150","2","150","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C41 H61 Cl3 F12 O28 S4 -","- C41 H61 Cl3 F12 O28 S4 -","- C328 H488 Cl24 F96 O224 S32 -","8","1","","Ravi, Arthi; Hassan, Syed Zahid; Vanikrishna, Ajithkumar N.; Sureshan, Kana M.","Regioselective SN2 reactions for rapid syntheses of azido-inositols by one-pot sequence-specific nucleophilysis.","Chemical communications (Cambridge, England)","2017","53","28","3971","","10.1039/c7cc01219e","","","0.71073","MoKα","","0.085","0.0719","","","0.1947","0.2106","","","","","","1.056","","","","has coordinates,has disorder","194926","2020-10-21","18:00:00",""
"7119797","15.1567","0.0002","8.3418","0.0001","8.6166","0.0001","90","","90","","90","","1089.43","0.02","130","0.1","130","0.1","","","","","","","","5","P n a 21","P 2c -2n","33","","2,6-dimethoxy-N-methylbenzothioamide","","- C10 H13 N O2 S -","- C10 H13 N O2 S -","- C40 H52 N4 O8 S4 -","4","1","","Noor, Asif; Li, Jiawei; Khairallah, George N.; Li, Zhen; Ghari, Hossein; Canty, Allan J.; Ariafard, Alireza; Donnelly, Paul S.; O'Hair, Richard A J","A one-pot route to thioamides discovered by gas-phase studies: palladium-mediated CO2 extrusion followed by insertion of isothiocyanates.","Chemical communications (Cambridge, England)","2017","53","27","3854","3857","10.1039/c7cc00865a","","x-ray","1.54184","CuKα","","0.0252","0.0251","","","0.0658","0.0659","","","","","","1.07","","","","has coordinates","194948","2020-10-21","18:00:00",""
"7119798","7.0891","0.0002","17.2751","0.0003","10.1191","0.0002","90","","106.161","0.002","90","","1190.26","0.05","130","0.1","130","0.1","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","N-ethyl-2,6-dimethoxybenzothioamide","","- C11 H15 N O2 S -","- C11 H15 N O2 S -","- C44 H60 N4 O8 S4 -","4","1","","Noor, Asif; Li, Jiawei; Khairallah, George N.; Li, Zhen; Ghari, Hossein; Canty, Allan J.; Ariafard, Alireza; Donnelly, Paul S.; O'Hair, Richard A J","A one-pot route to thioamides discovered by gas-phase studies: palladium-mediated CO2 extrusion followed by insertion of isothiocyanates.","Chemical communications (Cambridge, England)","2017","53","27","3854","3857","10.1039/c7cc00865a","","x-ray","1.54184","CuKα","","0.0359","0.0348","","","0.0951","0.0964","","","","","","1.073","","","","has coordinates","194948","2020-10-21","18:00:00",""
"7119799","10.198","0.0004","10.3995","0.0006","14.5146","0.0007","73.111","0.005","81.002","0.004","73.607","0.004","1408.41","0.13","130","","130","","","","","","","","","5","P -1","-P 1","2","","N-(tert-butyl)-2,6-dimethoxybenzothioamide","","- C13 H19 N O2 S -","- C13 H19 N O2 S -","- C52 H76 N4 O8 S4 -","4","2","","Noor, Asif; Li, Jiawei; Khairallah, George N.; Li, Zhen; Ghari, Hossein; Canty, Allan J.; Ariafard, Alireza; Donnelly, Paul S.; O'Hair, Richard A J","A one-pot route to thioamides discovered by gas-phase studies: palladium-mediated CO2 extrusion followed by insertion of isothiocyanates.","Chemical communications (Cambridge, England)","2017","53","27","3854","3857","10.1039/c7cc00865a","","x-ray","1.54184","CuKα","","0.0435","0.0363","","","0.0954","0.101","","","","","","1.039","","","","has coordinates","194948","2020-10-21","18:00:00",""
"7119800","7.7838","0.0002","13.8454","0.0005","14.3496","0.0005","76.51","0.003","76.082","0.003","83.06","0.002","1456.2","0.09","130","","130","","","","","","","","","6","P -1","-P 1","2","","N-(4-chlorophenyl)-2,6-dimethoxybenzothioamide","","- C15 H14 Cl N O2 S -","- C15 H14 Cl N O2 S -","- C60 H56 Cl4 N4 O8 S4 -","4","2","","Noor, Asif; Li, Jiawei; Khairallah, George N.; Li, Zhen; Ghari, Hossein; Canty, Allan J.; Ariafard, Alireza; Donnelly, Paul S.; O'Hair, Richard A J","A one-pot route to thioamides discovered by gas-phase studies: palladium-mediated CO2 extrusion followed by insertion of isothiocyanates.","Chemical communications (Cambridge, England)","2017","53","27","3854","3857","10.1039/c7cc00865a","","","1.54184","CuKα","","0.0337","0.0322","","","0.0829","0.0841","","","","","","1.052","","","","has coordinates","194948","2020-10-21","18:00:00",""
"7119801","13.0843","0.0002","12.4311","0.0002","17.6208","0.0002","90","","90","","90","","2866.06","0.07","129.95","0.11","129.95","0.11","","","","","","","","5","P b c a","-P 2ac 2ab","61","","2,6-dimethoxy-N-phenylbenzothioamide","","- C15 H15 N O2 S -","- C15 H15 N O2 S -","- C120 H120 N8 O16 S8 -","8","1","","Noor, Asif; Li, Jiawei; Khairallah, George N.; Li, Zhen; Ghari, Hossein; Canty, Allan J.; Ariafard, Alireza; Donnelly, Paul S.; O'Hair, Richard A J","A one-pot route to thioamides discovered by gas-phase studies: palladium-mediated CO2 extrusion followed by insertion of isothiocyanates.","Chemical communications (Cambridge, England)","2017","53","27","3854","3857","10.1039/c7cc00865a","","","1.54184","CuKα","","0.0343","0.0298","","","0.0795","0.0842","","","","","","1.047","","","","has coordinates","194948","2020-10-21","18:00:00",""
"7119802","11.2091","0.0002","7.5923","0.0001","18.4855","0.0003","90","","90.543","0.002","90","","1573.1","0.04","130","0.1","130","0.1","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","2,6-dimethoxy-N-(4-(trifluoromethyl)phenyl)benzothioamide","","- C16 H14 F3 N O2 S -","- C16 H14 F3 N O2 S -","- C64 H56 F12 N4 O8 S4 -","4","1","","Noor, Asif; Li, Jiawei; Khairallah, George N.; Li, Zhen; Ghari, Hossein; Canty, Allan J.; Ariafard, Alireza; Donnelly, Paul S.; O'Hair, Richard A J","A one-pot route to thioamides discovered by gas-phase studies: palladium-mediated CO2 extrusion followed by insertion of isothiocyanates.","Chemical communications (Cambridge, England)","2017","53","27","3854","3857","10.1039/c7cc00865a","","x-ray","1.54184","CuKα","","0.0345","0.0327","","","0.0854","0.0874","","","","","","0.925","","","","has coordinates","194948","2020-10-21","18:00:00",""
"7119803","8.32","0.0006","8.941","0.0005","24.9526","0.0017","83.367","0.005","81.578","0.006","67.51","0.006","1692.9","0.2","293","2","293.15","","","","","","","","","6","P -1","-P 1","2","","","","- C16.5 H14 Cl N3 O3 S -","- C16.5 H14 Cl N3 O3 S -","- C66 H56 Cl4 N12 O12 S4 -","4","2","","Ren, Anni; Lu, Ping; Wang, Yanguang","Convenient preparation of 4-diazoisochroman-3-imines and 3-subsituted 3,5-dihydroisochromeno[3,4-d][1,2,3]triazoles.","Chemical communications (Cambridge, England)","2017","53","26","3769","3772","10.1039/c7cc00603a","","","0.71073","MoKα","","0.0912","0.058","","","0.1514","0.1815","","","","","","1.027","","","","has coordinates","203412","2020-10-21","18:00:00",""
"7119804","8.6016","0.0006","27.4748","0.0015","6.1928","0.0003","90","","90","","90","","1463.53","0.15","170","","170","","","","","","","","","5","P n a 21","P 2c -2n","33","","","","- C17 H12 F3 N3 O -","- C17 H12 F3 N3 O -","- C68 H48 F12 N12 O4 -","4","1","","Ren, Anni; Lu, Ping; Wang, Yanguang","Convenient preparation of 4-diazoisochroman-3-imines and 3-subsituted 3,5-dihydroisochromeno[3,4-d][1,2,3]triazoles.","Chemical communications (Cambridge, England)","2017","53","26","3769","3772","10.1039/c7cc00603a","","","0.71073","MoKα","","0.0366","0.0331","","","0.0787","0.0812","","","","","","1.036","","","","has coordinates","194953","2020-10-21","18:00:00",""
"7119805","11.7393","0.0007","14.6701","0.0009","17.5396","0.0009","98.076","0.003","101.888","0.003","113.182","0.002","2633.4","0.3","150","2","150","2","","","","","","","","8","P -1","-P 1","2","","","","- C45 H28 Cl2 Eu F9 N2 O6 S10 -","- C45 H28 Cl2 Eu F9 N2 O6 S10 -","- C90 H56 Cl4 Eu2 F18 N4 O12 S20 -","2","1","","Kishi, Y.; Pointillart, F.; Lefeuvre, B.; Riobé, F; Le Guennic, B.; Golhen, S.; Cador, O.; Maury, O.; Fujiwara, H.; Ouahab, L.","Isotopically enriched polymorphs of dysprosium single molecule magnets.","Chemical communications (Cambridge, England)","2017","53","25","3575","3578","10.1039/c7cc00317j","","","0.71073","MoKα","","0.1764","0.0907","","","0.2306","0.303","","","","","","0.948","","","","has coordinates","194971","2020-10-21","18:00:00",""
"7119806","11.8296","0.0017","14.604","0.003","17.549","0.003","97.487","0.008","102.277","0.007","113.599","0.007","2634.9","0.8","150","2","150","2","","","","","","","","8","P -1","-P 1","2","","","","- C45 H28 Cl2 Dy F9 N2 O6 S10 -","- C45 H28 Cl2 Dy F9 N2 O6 S10 -","- C90 H56 Cl4 Dy2 F18 N4 O12 S20 -","2","1","","Kishi, Y.; Pointillart, F.; Lefeuvre, B.; Riobé, F; Le Guennic, B.; Golhen, S.; Cador, O.; Maury, O.; Fujiwara, H.; Ouahab, L.","Isotopically enriched polymorphs of dysprosium single molecule magnets.","Chemical communications (Cambridge, England)","2017","53","25","3575","3578","10.1039/c7cc00317j","","","0.71073","MoKα","","0.0859","0.0621","","","0.1666","0.1832","","","","","","1.038","","","","has coordinates","194971","2020-10-21","18:00:00",""
"7119807","11.9987","0.0032","26.1502","0.006","18.4103","0.0044","90","","92.8746","0.0098","90","","5769","2","150","2","150","2","","","","","","","","7","P 1 21/a 1","-P 2yab","14","","","","- C44 H26 Dy F9 N2 O6 S10 -","- C44 H26 Dy F9 N2 O6 S10 -","- C176 H104 Dy4 F36 N8 O24 S40 -","4","1","","Kishi, Y.; Pointillart, F.; Lefeuvre, B.; Riobé, F; Le Guennic, B.; Golhen, S.; Cador, O.; Maury, O.; Fujiwara, H.; Ouahab, L.","Isotopically enriched polymorphs of dysprosium single molecule magnets.","Chemical communications (Cambridge, England)","2017","53","25","3575","3578","10.1039/c7cc00317j","","","0.71073","MoKα","","0.2286","0.099","","","0.2523","0.3048","","","","","","0.82","","","","has coordinates,has disorder","194971","2020-10-21","18:00:00",""
"7119808","11.819","0.009","26.13","0.02","18.549","0.017","90","","93.28","0.03","90","","5719","8","150","2","150","2","","","","","","","","7","P 1 21/a 1","-P 2yab","14","","","","- C44 H26 F9 N2 O6 S10 Y -","- C44 H26 F9 N2 O6 S10 Y -","- C176 H104 F36 N8 O24 S40 Y4 -","4","1","","Kishi, Y.; Pointillart, F.; Lefeuvre, B.; Riobé, F; Le Guennic, B.; Golhen, S.; Cador, O.; Maury, O.; Fujiwara, H.; Ouahab, L.","Isotopically enriched polymorphs of dysprosium single molecule magnets.","Chemical communications (Cambridge, England)","2017","53","25","3575","3578","10.1039/c7cc00317j","","","0.71073","MoKα","","0.229","0.0938","","","0.2395","0.2802","","","","","","0.862","","","","has coordinates,has disorder","194971","2020-10-21","18:00:00",""
"7119809","22.506","0.009","8.456","0.003","15.962","0.007","90","","90.729","0.01","90","","3037","2","123","","123","","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C36 H44 Te -","- C36 H44 Te -","- C144 H176 Te4 -","4","1","","Oyama, Tatsuya; Yang, Yu Seok; Matsuo, Kyohei; Yasuda, Takuma","Effects of chalcogen atom substitution on the optoelectronic and charge-transport properties in picene-type π-systems.","Chemical communications (Cambridge, England)","2017","53","27","3814","3817","10.1039/c7cc01292f","","","0.71075","MoKα","","0.1393","0.1291","","","0.3312","0.3415","","","","","","1.228","","","","has coordinates","194947","2020-10-21","18:00:00",""
"7119810","28.2464","0.0014","35.3404","0.0015","21.6242","0.001","90","","118.889","0.002","90","","18899.9","1.6","100","2","100","2","","","","","","","","5","C 1 2/m 1","-C 2y","12","PgC3, DMF, Mg","C-propylpyrogallol[4]arene, dimethylforamide, magnesium","","- C252 H240 Mg24 N4 O120 -","- C252 H240 Mg24 N4 O120 -","- C504 H480 Mg48 N8 O240 -","2","0.25","","Zhang, Chen; Patil, Rahul S.; Li, Tao; Barnes, Charles L.; Atwood, Jerry L.","Self-assembly of magnesium-seamed hexameric pyrogallol[4]arene nanocapsules.","Chemical communications (Cambridge, England)","2017","53","31","4312","4314","10.1039/c7cc01208j","","","1.54178","CuKα","","0.1615","0.1374","","","0.4177","0.4657","","","","","","2.159","","","","has coordinates","196279","2020-10-21","18:00:00",""
"7119811","26.113","0.002","26.276","0.002","27.96","0.002","93.634","0.004","92.074","0.005","90.16","0.005","19133","2","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","","","- C250 H226 Mg24 N2 O120 -","- C250 H226 Mg24 N2 O120 -","- C500 H452 Mg48 N4 O240 -","2","1","","Zhang, Chen; Patil, Rahul S.; Li, Tao; Barnes, Charles L.; Atwood, Jerry L.","Self-assembly of magnesium-seamed hexameric pyrogallol[4]arene nanocapsules.","Chemical communications (Cambridge, England)","2017","53","31","4312","4314","10.1039/c7cc01208j","","","1.54178","CuKα","","0.2219","0.1726","","","0.4686","0.5144","","","","","","2.047","","","","has coordinates","196279","2020-10-21","18:00:00",""
"7119812","9.8899","0.0012","10.4071","0.0013","25.652","0.003","83.322","0.004","87.485","0.005","65.134","0.004","2379.2","0.5","120","2","120","2","","","","","","","","6","P -1","-P 1","2","","","","- C41 H58 Cl4 Co2 N9 O5 -","- C41 H58 Cl4 Co2 N9 O5 -","- C82 H116 Cl8 Co4 N18 O10 -","2","1","","Ozumerzifon, Tarik J.; Bhowmick, Indrani; Spaller, William C.; Rappé, Anthony K; Shores, Matthew P.","Toward steric control of guest binding modality: a cationic Co(ii) complex exhibiting cation binding and zero-field relaxation.","Chemical communications (Cambridge, England)","2017","53","30","4211","4214","10.1039/c7cc01172e","","","0.71073","MoKα","","0.057","0.0467","","","0.1273","0.134","","","","","","1.042","","","","has coordinates,has disorder","196273","2020-10-21","18:00:00",""
"7119813","23.7294","0.0015","23.7294","0.0015","34.604","0.003","90","","90","","120","","16874","2","120","2","120","2","","","","","","","","7","R 3 c :H","R 3 -2""c","161","","","","- C111 H111 B3 Co N9 Na O4 -","- C111 H111 B3 Co N9 Na O3.9999 -","- C666 H666 B18 Co6 N54 Na6 O23.9994 -","6","0.333333","","Ozumerzifon, Tarik J.; Bhowmick, Indrani; Spaller, William C.; Rappé, Anthony K; Shores, Matthew P.","Toward steric control of guest binding modality: a cationic Co(ii) complex exhibiting cation binding and zero-field relaxation.","Chemical communications (Cambridge, England)","2017","53","30","4211","4214","10.1039/c7cc01172e","","","0.71073","MoKα","","0.0739","0.0604","","","0.1439","0.151","","","","","","1.066","","","","has coordinates","196273","2020-10-21","18:00:00",""
"7119814","23.889","0.002","17.3157","0.0015","13.5491","0.0013","90","","95.028","0.003","90","","5583.1","0.9","120","2","120","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C43 H61 Co I6 N9 O4 -","- C43 H61 Co I6 N9 O4 -","- C172 H244 Co4 I24 N36 O16 -","4","1","","Ozumerzifon, Tarik J.; Bhowmick, Indrani; Spaller, William C.; Rappé, Anthony K; Shores, Matthew P.","Toward steric control of guest binding modality: a cationic Co(ii) complex exhibiting cation binding and zero-field relaxation.","Chemical communications (Cambridge, England)","2017","53","30","4211","4214","10.1039/c7cc01172e","","","0.71073","MoKα","","0.0823","0.0611","","","0.1165","0.1305","","","","","","1.147","","","","has coordinates","196273","2020-10-21","18:00:00",""
"7119815","9.4769","0.0002","24.0061","0.0004","21.6073","0.0003","90","","100.792","0.002","90","","4828.79","0.15","150","","150","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C60 H38 Eu N16 O2 -","- C60 H38 Eu N16 O2 -","- C240 H152 Eu4 N64 O8 -","4","1","","Liu, Wenbo; Pan, Houhe; Wang, Ziqian; Wang, Kang; Qi, Dongdong; Jiang, Jianzhuang","Sandwich rare earth complexes simultaneously involving aromatic phthalocyanine and antiaromatic hemiporphyrazine ligands showing a predominantly aromatic nature.","Chemical communications (Cambridge, England)","2017","53","26","3765","3768","10.1039/c7cc01279a","","","1.54178","CuKα","","0.045","0.0386","","","0.0997","0.1038","","","","","","1.02","","","","has coordinates","194961","2020-10-21","18:00:00",""
"7119816","9.2221","0.0002","20.0308","0.0003","22.9016","0.0004","90","","99.274","0.002","90","","4175.22","0.13","150","","150","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C53 H32 Eu N16 O -","- C53 H32 Eu N16 O -","- C212 H128 Eu4 N64 O4 -","4","1","","Liu, Wenbo; Pan, Houhe; Wang, Ziqian; Wang, Kang; Qi, Dongdong; Jiang, Jianzhuang","Sandwich rare earth complexes simultaneously involving aromatic phthalocyanine and antiaromatic hemiporphyrazine ligands showing a predominantly aromatic nature.","Chemical communications (Cambridge, England)","2017","53","26","3765","3768","10.1039/c7cc01279a","","","1.54178","CuKα","","0.0399","0.0338","","","0.0877","0.0915","","","","","","1.023","","","","has coordinates","194961","2020-10-21","18:00:00",""
"7119817","10.7312","0.0006","11.0728","0.0006","12.9937","0.0007","90","","90","","90","","1543.97","0.15","273","2","273","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C17 H11 Br N2 O2 -","- C17 Br N2 O2 -","- C68 Br4 N8 O8 -","4","1","","Huang, Xiaoshan; Cong, Xuefeng; Mi, Pengbing; Bi, Xihe","Azomethine-isocyanide [3+2] cycloaddition to imidazoles promoted by silver and DBU.","Chemical communications (Cambridge, England)","2017","53","27","3858","3861","10.1039/c7cc00772h","","","0.71073","MoKα","","0.1658","0.1508","","","0.3735","0.3885","","","","","","2.748","","","","has coordinates","206489","2020-10-21","18:00:00",""
"7119818","14.2993","0.0006","15.133","0.0007","15.1938","0.0009","117.3","0.005","95.635","0.004","111.286","0.004","2579.4","0.3","293","2","293","2","","","","","","","","6","P -1","-P 1","2","","","","- C60 H142 Cl4 Cu2 O34 Ti12 -","- C60 H142 Cl4 Cu2 O34 Ti12 -","- C60 H142 Cl4 Cu2 O34 Ti12 -","1","0.5","","Fang, Wei-Hui; Zhang, Lei; Zhang, Jian","Assembly of titanium-oxo cations with copper-halide anions to form supersalt-type cluster-based materials.","Chemical communications (Cambridge, England)","2017","53","28","3949","","10.1039/c7cc01443k","","","1.54178","CuKα","","0.0682","0.0497","","","0.136","0.1561","","","","","","1.02","","","","has coordinates","194928","2020-10-21","18:00:00",""
"7119819","14.632","0.003","15.107","0.003","21.839","0.004","91.04","0.03","91.22","0.03","93.17","0.03","4818","1.6","293","2","293","2","","","","","","","","6","P -1","-P 1","2","","","","- C54 H126 Cl6 Cu2 O32 Ti12 -","- C54 H126 Cl6 Cu2 O32 Ti12 -","- C108 H252 Cl12 Cu4 O64 Ti24 -","2","1","","Fang, Wei-Hui; Zhang, Lei; Zhang, Jian","Assembly of titanium-oxo cations with copper-halide anions to form supersalt-type cluster-based materials.","Chemical communications (Cambridge, England)","2017","53","28","3949","","10.1039/c7cc01443k","","","0.71073","MoKα","","0.1509","0.0791","","","0.1899","0.2465","","","","","","1.06","","","","has coordinates","194928","2020-10-21","18:00:00",""
"7119820","21.553","0.0004","21.6943","0.0003","21.4667","0.0003","90","","90.935","0.002","90","","10036","0.3","293","2","293","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C54 H126 Br6 Cu4 O32 Ti12 -","- C54 H126 Br6 Cu4 O32 Ti12 -","- C216 H504 Br24 Cu16 O128 Ti48 -","4","1","","Fang, Wei-Hui; Zhang, Lei; Zhang, Jian","Assembly of titanium-oxo cations with copper-halide anions to form supersalt-type cluster-based materials.","Chemical communications (Cambridge, England)","2017","53","28","3949","","10.1039/c7cc01443k","","","1.54178","CuKα","","0.1547","0.1197","","","0.3191","0.3517","","","","","","1.244","","","","has coordinates","194928","2020-10-21","18:00:00",""
"7119821","27.9309","0.0006","15.1805","0.0002","26.0787","0.0005","90","","109.756","0.002","90","","10406.7","0.4","293","2","293","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C54 H126 Cu5 I7 O32 Ti12 -","- C54 H126 Cu5 I7 O32 Ti12 -","- C216 H504 Cu20 I28 O128 Ti48 -","4","1","","Fang, Wei-Hui; Zhang, Lei; Zhang, Jian","Assembly of titanium-oxo cations with copper-halide anions to form supersalt-type cluster-based materials.","Chemical communications (Cambridge, England)","2017","53","28","3949","","10.1039/c7cc01443k","","","1.54178","CuKα","","0.1134","0.0793","","","0.2208","0.2577","","","","","","1.024","","","","has coordinates","194928","2020-10-21","18:00:00",""
"7119822","7.17006","0.00006","11.34032","0.0001","22.9044","0.0002","90","","90","","90","","1862.37","0.03","150","1","150","1","","","","","","","","5","P b c a","-P 2ac 2ab","61","","4-Benzoyl-5H-1,2,3-dithiazol-5-one, low-temperature polymorph","","- C9 H5 N O2 S2 -","- C9 H5 N O2 S2 -","- C72 H40 N8 O16 S16 -","8","1","","Mayo, R. Alex; Sullivan, David J.; Fillion, Travis A. P.; Kycia, Stefan W.; Soldatov, Dmitriy V.; Preuss, Kathryn E.","Reversible crystal-to-crystal chiral resolution: making/breaking non-bonding SO interactions.","Chemical communications (Cambridge, England)","2017","53","28","3964","","10.1039/c7cc00907k","","","1.54184","CuKα","","0.035","0.0349","","","0.0954","0.0954","","","","","","1.139","","","","has coordinates","194929","2020-10-21","18:00:00",""
"7119823","7.2037","0.00019","11.4142","0.0003","23.213","0.0007","90","","90","","90","","1908.68","0.09","296","2","296","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","4-Benzoyl-5H-1,2,3-dithiazol-5-one, low-temperature polymorph","","- C9 H5 N O2 S2 -","- C9 H5 N O2 S2 -","- C72 H40 N8 O16 S16 -","8","1","","Mayo, R. Alex; Sullivan, David J.; Fillion, Travis A. P.; Kycia, Stefan W.; Soldatov, Dmitriy V.; Preuss, Kathryn E.","Reversible crystal-to-crystal chiral resolution: making/breaking non-bonding SO interactions.","Chemical communications (Cambridge, England)","2017","53","28","3964","","10.1039/c7cc00907k","","","1.54184","CuKα","","0.0506","0.0417","","","0.1017","0.1068","","","","","","1.055","","","","has coordinates","194929","2020-10-21","18:00:00",""
"7119824","7.99603","0.00012","10.0168","0.00013","11.32452","0.00015","90","","90","","90","","907.03","0.02","150","1","150","1","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","4-Benzoyl-5H-1,2,3-dithiazol-5-one, high-temperature polymorph","","- C9 H5 N O2 S2 -","- C9 H5 N O2 S2 -","- C36 H20 N4 O8 S8 -","4","1","","Mayo, R. Alex; Sullivan, David J.; Fillion, Travis A. P.; Kycia, Stefan W.; Soldatov, Dmitriy V.; Preuss, Kathryn E.","Reversible crystal-to-crystal chiral resolution: making/breaking non-bonding SO interactions.","Chemical communications (Cambridge, England)","2017","53","28","3964","","10.1039/c7cc00907k","","","1.54184","CuKα","","0.0229","0.0228","","","0.0625","0.0625","","","","","","1.073","","","","has coordinates","194929","2020-10-21","18:00:00",""
"7119825","8.23838","0.00012","10.03744","0.00012","11.30577","0.00014","90","","90","","90","","934.9","0.02","296","2","296","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","4-Benzoyl-5H-1,2,3-dithiazol-5-one, high-temperature polymorph","","- C9 H5 N O2 S2 -","- C9 H5 N O2 S2 -","- C36 H20 N4 O8 S8 -","4","1","","Mayo, R. Alex; Sullivan, David J.; Fillion, Travis A. P.; Kycia, Stefan W.; Soldatov, Dmitriy V.; Preuss, Kathryn E.","Reversible crystal-to-crystal chiral resolution: making/breaking non-bonding SO interactions.","Chemical communications (Cambridge, England)","2017","53","28","3964","","10.1039/c7cc00907k","","","1.54184","CuKα","","0.0304","0.0299","","","0.0801","0.0808","","","","","","1.064","","","","has coordinates","194929","2020-10-21","18:00:00",""
"7119834","8.9286","0.0013","12.87","0.0011","17.609","0.0015","87.421","0.007","81.658","0.009","86.987","0.009","1997.9","0.4","170","2","170","2","","","","","","","","3","P -1","-P 1","2","","","","- C26 H29 N -","- C26 H29 N -","- C104 H116 N4 -","4","2","","Zhou, Jing; Qiu, Youai; Li, Junzhao; Fu, Chunling; Zhang, Xue; Ma, Shengming","PtCl4-catalyzed skeleton rearrangement-cyclization of tertiary indolyl-3-alkynols.","Chemical communications (Cambridge, England)","2017","53","34","4722","4725","10.1039/c7cc00352h","","","0.71073","MoKα","","0.1312","0.0993","","","0.3233","0.3412","","","","","","1.133","","","","has coordinates","196303","2020-10-21","18:00:00",""
"7119835","8.7284","0.0014","10.1708","0.0012","21.323","0.004","90","","93.076","0.016","90","","1890.2","0.5","293","2","293.15","","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","","","- C22 H29 N -","- C22 H29 N -","- C88 H116 N4 -","4","1","","Zhou, Jing; Qiu, Youai; Li, Junzhao; Fu, Chunling; Zhang, Xue; Ma, Shengming","PtCl4-catalyzed skeleton rearrangement-cyclization of tertiary indolyl-3-alkynols.","Chemical communications (Cambridge, England)","2017","53","34","4722","4725","10.1039/c7cc00352h","","","0.71073","MoKα","","0.0955","0.0644","","","0.1609","0.1857","","","","","","1.031","","","","has coordinates","196303","2020-10-21","18:00:00",""
"7119836","11.2888","0.0004","12.3949","0.0004","19.3","0.0005","90","","90","","90","","2700.52","0.15","135","2","135","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C27 H33 N3 O7 -","- C27 H33 N3 O7 -","- C108 H132 N12 O28 -","4","1","","Ma, Baiwei; Luo, Weiwei; Lin, Lili; Liu, Xiaohua; Feng, Xiaoming","A chiral cobalt(ii) complex catalyzed asymmetric formal [3+2] cycloaddition for the synthesis of 1,2,4-triazolines.","Chemical communications (Cambridge, England)","2017","53","29","4077","4079","10.1039/c7cc01278k","","","1.54184","CuKα","","0.051","0.0489","","","0.131","0.135","","","","","","1.044","","","","has coordinates","196260","2020-10-21","18:00:00",""
"7119837","9.9885","0.0004","8.6548","0.0004","18.3874","0.0007","90","","103.256","0.004","90","","1547.21","0.11","173","2","173","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C16 H20 Cl N3 O2 -","- C16 H20 Cl N3 O2 -","- C64 H80 Cl4 N12 O8 -","4","1","","Sundriyal, Sandeep; Chen, Patty; Lubin, Alexandra; Lueg, Gregor; Lu, Fengling; White, Andrew J. P.; Malmquist, Nicholas; Vedadi, Masoud; Scherf, Artur; Fuchter, Matthew","Identification of diaminoquinazoline histone lysine methyltransferase structure activity relationships that allow for segregation of human G9a inhibition and anti-Plasmodium activity","Med. Chem. Commun.","2017","","","","","10.1039/C7MD00052A","","","0.71073","MoKα","","0.0505","0.0379","","","0.0821","0.09","","","","","","1.052","","","","has coordinates","194288","2020-10-21","18:00:00",""
"7119838","8.1874","0.0004","22.8006","0.0008","13.6393","0.0006","90","","91.001","0.002","90","","2545.76","0.19","113","2","113","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C28 H26 Br N O5 S -","- C28 H26 Br N O5 S -","- C112 H104 Br4 N4 O20 S4 -","4","1","","Zhang, Qinglong; Zhu, Yannan; Jin, Hongxing; Huang, You","A phosphine mediated sequential annulation process of 2-tosylaminochalcones with MBH carbonates to construct functionalized aza-benzobicyclo[4.3.0] derivatives.","Chemical communications (Cambridge, England)","2017","53","28","3974","","10.1039/c6cc10155k","","","0.71073","MoKα","","0.0455","0.0302","","","0.0788","0.0908","","","","","","1.083","","","","has coordinates","194922","2020-10-21","18:00:00",""
"7119839","9.1267","0.0018","10.848","0.002","24.209","0.005","90","","90.86","0.03","90","","2396.6","0.8","113","2","113","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C28 H27 N O4 S -","- C28 H27 N O4 S -","- C112 H108 N4 O16 S4 -","4","1","","Zhang, Qinglong; Zhu, Yannan; Jin, Hongxing; Huang, You","A phosphine mediated sequential annulation process of 2-tosylaminochalcones with MBH carbonates to construct functionalized aza-benzobicyclo[4.3.0] derivatives.","Chemical communications (Cambridge, England)","2017","53","28","3974","","10.1039/c6cc10155k","","","0.71073","MoKα","","0.0863","0.0634","","","0.1419","0.1573","","","","","","1.058","","","","has coordinates","194922","2020-10-21","18:00:00",""
"7119840","18.3227","0.0007","21.8362","0.0009","11.4317","0.0005","90","","90","","90","","4573.8","0.3","173","2","173","2","","","","","","","","6","P 21 21 2","P 2 2ab","18","","","","- C37 H23 Dy F24 N2 O8 -","- C37 H23 Dy F24 N2 O8 -","- C148 H92 Dy4 F96 N8 O32 -","4","1","","Li, Xi-Li; Hu, Ming; Yin, Zhigang; Zhu, Cancan; Liu, Cai-Ming; Xiao, Hong-Ping; Fang, Shaoming","Enhanced single-ion magnetic and ferroelectric properties of mononuclear Dy(iii) enantiomeric pairs through the coordination role of chiral ligands.","Chemical communications (Cambridge, England)","2017","53","28","3998","","10.1039/c7cc01042g","","","0.71073","MoKα","","0.0867","0.0358","","","0.0647","0.0764","","","","","","1.053","","","","has coordinates,has disorder","194924","2020-10-21","18:00:00",""
"7119841","18.3282","0.0009","21.8066","0.0009","11.4128","0.0005","90","","90","","90","","4561.4","0.4","173","2","173","2","","","","","","","","6","P 21 21 2","P 2 2ab","18","","","","- C37 H23 Dy F24 N2 O8 -","- C37 H23 Dy F24 N2 O8 -","- C148 H92 Dy4 F96 N8 O32 -","4","1","","Li, Xi-Li; Hu, Ming; Yin, Zhigang; Zhu, Cancan; Liu, Cai-Ming; Xiao, Hong-Ping; Fang, Shaoming","Enhanced single-ion magnetic and ferroelectric properties of mononuclear Dy(iii) enantiomeric pairs through the coordination role of chiral ligands.","Chemical communications (Cambridge, England)","2017","53","28","3998","","10.1039/c7cc01042g","","","0.71073","MoKα","","0.0938","0.0375","","","0.058","0.0698","","","","","","1.044","","","","has coordinates,has disorder","194924","2020-10-21","18:00:00",""
"7119842","12.3044","0.0004","13.4038","0.0003","13.5784","0.0003","79.486","0.002","65.17","0.003","88.284","0.002","1995.55","0.1","153","2","153","2","","","","","","","","6","P 1","P 1","1","","","","- C32 H21 Dy F18 N2 O6 -","- C32 H21 Dy F18 N2 O6 -","- C64 H42 Dy2 F36 N4 O12 -","2","2","","Li, Xi-Li; Hu, Ming; Yin, Zhigang; Zhu, Cancan; Liu, Cai-Ming; Xiao, Hong-Ping; Fang, Shaoming","Enhanced single-ion magnetic and ferroelectric properties of mononuclear Dy(iii) enantiomeric pairs through the coordination role of chiral ligands.","Chemical communications (Cambridge, England)","2017","53","28","3998","","10.1039/c7cc01042g","","","0.71073","MoKα","","0.0509","0.0491","","","0.0999","0.1003","","","","","","1.02","","","","has coordinates","194924","2020-10-21","18:00:00",""
"7119843","12.2833","0.0003","13.394","0.0005","13.5543","0.0004","79.609","0.002","65.17","0.003","88.439","0.002","1987.71","0.12","153","2","153","2","","","","","","","","6","P 1","P 1","1","","","","- C32 H21 Dy F18 N2 O6 -","- C32 H21 Dy F18 N2 O6 -","- C64 H42 Dy2 F36 N4 O12 -","2","2","","Li, Xi-Li; Hu, Ming; Yin, Zhigang; Zhu, Cancan; Liu, Cai-Ming; Xiao, Hong-Ping; Fang, Shaoming","Enhanced single-ion magnetic and ferroelectric properties of mononuclear Dy(iii) enantiomeric pairs through the coordination role of chiral ligands.","Chemical communications (Cambridge, England)","2017","53","28","3998","","10.1039/c7cc01042g","","","0.71073","MoKα","","0.0417","0.0389","","","0.0847","0.0851","","","","","","1.066","","","","has coordinates","194924","2020-10-21","18:00:00",""
"7119844","7.4674","0.0002","10.9703","0.0003","13.9309","0.0004","90","","90","","90","","1141.21","0.05","180","2","180","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C10 H14 N4 O6 -","- C10 H14 N4 O6 -","- C40 H56 N16 O24 -","4","1","","Tsanakopoulou, Maria; Xu, Jianfeng; Bond, Andrew D.; Sutherland, John D.","A new and potentially prebiotic α-cytidine derivative.","Chemical communications (Cambridge, England)","2017","53","23","3327","3329","10.1039/c7cc00693d","","","1.54178","CuKα","","0.0277","0.0263","","","0.0679","0.0693","","","","","","1.082","","","","has coordinates","194308","2020-10-21","18:00:00",""
"7119845","18.1253","0.0007","18.1253","0.0007","29.8697","0.0014","90","","90","","120","","8498.3","0.6","100","2","100","2","","","","","","","","7","P 3 1 c","P 3 -2c","159","[(L2)~12~Cu^I^~5~Cu^II^~11~(μ~4~-S)(μ~4~-O)~6~][ClO~4~]^.^4H~2~O","","","- C96 H120 Cl Cu16 N12 O14 S25 -","- C96 H120 Cl Cu16 N12 O14 S25 -","- C192 H240 Cl2 Cu32 N24 O28 S50 -","2","0.333333","","Maji, Ram Chandra; Das, Partha Pratim; Bhandari, Anirban; Mishra, Saikat; Maji, Milan; Ghiassi, Kamran B.; Olmstead, Marilyn M.; Patra, Apurba K.","Mixed valence copper-sulfur clusters of highest nuclearity: a Cu8 wheel and a Cu16 nanoball.","Chemical communications (Cambridge, England)","2017","53","23","3334","3337","10.1039/c6cc08301c","","","1.0332","synchrotron","","0.1543","0.1258","","","0.3432","0.3727","","","","","","1.427","","","","has coordinates","194309","2020-10-21","18:00:00",""
"7119846","18.757","0.005","30.586","0.005","20.498","0.005","90","0.005","92.805","0.005","90","0.005","11746","5","100","2","100","2","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C99.5 H87 Cl2 Cu8 N9 O9.5 S16 -","- C99.5 H87 Cl2 Cu8 N9 O9.5 S16 -","- C398 H348 Cl8 Cu32 N36 O38 S64 -","4","1","","Maji, Ram Chandra; Das, Partha Pratim; Bhandari, Anirban; Mishra, Saikat; Maji, Milan; Ghiassi, Kamran B.; Olmstead, Marilyn M.; Patra, Apurba K.","Mixed valence copper-sulfur clusters of highest nuclearity: a Cu8 wheel and a Cu16 nanoball.","Chemical communications (Cambridge, England)","2017","53","23","3334","3337","10.1039/c6cc08301c","","","0.71073","MoKα","","0.153","0.0842","","","0.2136","0.2496","","","","","","1.035","","","","has coordinates,has disorder","194309","2020-10-21","18:00:00",""
"7119847","11.387","0.003","23.226","0.006","20.986","0.006","90","","95.277","0.005","90","","5527","3","150","2","150","2","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C64 H53 Cl3 N2 O7 P2 Ru -","- C64 H53 Cl3 N2 O7 P2 Ru -","- C256 H212 Cl12 N8 O28 P8 Ru4 -","4","1","","Ray, Ritwika; Chandra, Shubhadeep; Yadav, Vishal; Mondal, Prasenjit; Maiti, Debabrata; Lahiri, Goutam Kumar","Ligand controlled switchable selectivity in ruthenium catalyzed aerobic oxidation of primary amines.","Chemical communications (Cambridge, England)","2017","53","28","4006","","10.1039/c6cc10200j","","","0.7107","MoKα","","0.0988","0.0897","","","0.206","0.2127","","","","","","1.157","","","","has coordinates","194925","2020-10-21","18:00:00",""
"7119848","11.8945","0.0019","14.063","0.002","18.356","0.003","98.289","0.002","105.598","0.003","90.117","0.003","2923.8","0.8","150","2","150","2","","","","","","","","7","P -1","-P 1","2","","","","- C65 H55 Cl5 N2 O5 P2 Ru -","- C65 H55 Cl5 N2 O5 P2 Ru -","- C130 H110 Cl10 N4 O10 P4 Ru2 -","2","1","","Ray, Ritwika; Chandra, Shubhadeep; Yadav, Vishal; Mondal, Prasenjit; Maiti, Debabrata; Lahiri, Goutam Kumar","Ligand controlled switchable selectivity in ruthenium catalyzed aerobic oxidation of primary amines.","Chemical communications (Cambridge, England)","2017","53","28","4006","","10.1039/c6cc10200j","","","0.7107","MoKα","","0.1091","0.0738","","","0.1681","0.1946","","","","","","0.93","","","","has coordinates","194925","2020-10-21","18:00:00",""
"7119849","11.897","0.002","13.638","0.003","20.788","0.004","100.447","0.001","100.464","0.002","113.912","0.002","2907.6","1","150","2","150","2","","","","","","","","7","P -1","-P 1","2","","","","- C62 H47 Cl3 N4 O9 P2 Ru -","- C62 H47 Cl3 N4 O9 P2 Ru -","- C124 H94 Cl6 N8 O18 P4 Ru2 -","2","1","","Ray, Ritwika; Chandra, Shubhadeep; Yadav, Vishal; Mondal, Prasenjit; Maiti, Debabrata; Lahiri, Goutam Kumar","Ligand controlled switchable selectivity in ruthenium catalyzed aerobic oxidation of primary amines.","Chemical communications (Cambridge, England)","2017","53","28","4006","","10.1039/c6cc10200j","","","0.7107","MoKα","","0.0488","0.0453","","","0.1146","0.118","","","","","","0.956","","","","has coordinates","194925","2020-10-21","18:00:00",""
"7119850","9.11917","0.00016","10.6057","0.0002","16.5557","0.0003","80.646","0.0016","74.2931","0.0016","81.3448","0.0016","1511.31","0.05","150","2","150","2","","","","","","","","5","P -1","-P 1","2","","","","- C31 H49 Ir O P2 -","- C31 H48 Ir O P2 -","- C62 H96 Ir2 O2 P4 -","2","1","","Hauser, Simone A.; Emerson-King, Jack; Habershon, Scott; Chaplin, Adrian B.","UV-light promoted C-H bond activation of benzene and fluorobenzenes by an iridium(i) pincer complex.","Chemical communications (Cambridge, England)","2017","53","26","3634","3636","10.1039/c6cc09807j","","x-ray","0.71073","MoKα","","0.0367","0.0331","","","0.0748","0.0764","","","","","","1.088","","","","has coordinates","194958","2020-10-21","18:00:00",""
"7119851","17.9975","0.0003","16.9033","0.0003","19.9108","0.0003","90","","90","","90","","6057.21","0.17","150","2","150","2","","","","","","","","6","P b c a","-P 2ac 2ab","61","","","","- C31 H46 F3 Ir O P2 -","- C31 H45 F3 Ir O P2 -","- C248 H360 F24 Ir8 O8 P16 -","8","1","","Hauser, Simone A.; Emerson-King, Jack; Habershon, Scott; Chaplin, Adrian B.","UV-light promoted C-H bond activation of benzene and fluorobenzenes by an iridium(i) pincer complex.","Chemical communications (Cambridge, England)","2017","53","26","3634","3636","10.1039/c6cc09807j","","x-ray","0.71073","MoKα","","0.06","0.0332","","","0.0708","0.0803","","","","","","1.004","","","","has coordinates","194958","2020-10-21","18:00:00",""
"7119852","9.3553","0.0003","10.586","0.0003","16.6571","0.0005","79.927","0.002","74.522","0.003","81.288","0.002","1555.73","0.08","150","2","150","2","","","","","","","","6","P -1","-P 1","2","","","","- C31 H47 F2 Ir O P2 -","- C31 H46 F2 Ir O P2 -","- C62 H92 F4 Ir2 O2 P4 -","2","1","","Hauser, Simone A.; Emerson-King, Jack; Habershon, Scott; Chaplin, Adrian B.","UV-light promoted C-H bond activation of benzene and fluorobenzenes by an iridium(i) pincer complex.","Chemical communications (Cambridge, England)","2017","53","26","3634","3636","10.1039/c6cc09807j","","x-ray","0.71073","MoKα","","0.0185","0.0169","","","0.0408","0.0414","","","","","","1.05","","","","has coordinates","194958","2020-10-21","18:00:00",""
"7119853","18.0679","0.0003","16.8659","0.0003","19.8479","0.0003","90","","90","","90","","6048.28","0.17","150","2","150","2","","","","","","","","6","P b c a","-P 2ac 2ab","61","","","","- C31 H48 F Ir O P2 -","- C31 H47 F Ir O P2 -","- C248 H376 F8 Ir8 O8 P16 -","8","1","","Hauser, Simone A.; Emerson-King, Jack; Habershon, Scott; Chaplin, Adrian B.","UV-light promoted C-H bond activation of benzene and fluorobenzenes by an iridium(i) pincer complex.","Chemical communications (Cambridge, England)","2017","53","26","3634","3636","10.1039/c6cc09807j","","x-ray","0.71073","MoKα","","0.0715","0.0385","","","0.0812","0.0938","","","","","","1.001","","","","has coordinates,has disorder","194958","2020-10-21","18:00:00",""
"7119854","10.972","0.002","18.773","0.004","11.281","0.004","90","","102.904","0.003","90","","2264.9","1","296","2","296","2","","","","","","","","4","C 1 2/m 1","-C 2y","12","","","","- C36 H64 N16 O16 -","- C36 H48 N16 O16 -","- C72 H96 N32 O32 -","2","0.25","","Wu, Yufan; Xu, Lixi; Shen, Yenan; Wang, Yang; Zou, Lei; Wang, Qiaochun; Jiang, Xiaoqing; Liu, Jiansen; Tian, He","The smallest cucurbituril analogue with high affinity for Ag().","Chemical communications (Cambridge, England)","2017","53","29","4070","4072","10.1039/c7cc01729d","","","0.71073","MoKα","","0.1172","0.0816","","","0.2479","0.293","","","","","","1.061","","","","has coordinates","196259","2020-10-21","18:00:00",""
"7119855","12.207","0.004","21.254","0.006","22.602","0.007","90","","101.677","0.005","90","","5743","3","296","2","296","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C36 H62 Ca2 Cl4 N16 O22 -","- C36 H48 Ca2 Cl4 N16 O22 -","- C144 H192 Ca8 Cl16 N64 O88 -","4","1","","Wu, Yufan; Xu, Lixi; Shen, Yenan; Wang, Yang; Zou, Lei; Wang, Qiaochun; Jiang, Xiaoqing; Liu, Jiansen; Tian, He","The smallest cucurbituril analogue with high affinity for Ag().","Chemical communications (Cambridge, England)","2017","53","29","4070","4072","10.1039/c7cc01729d","","","0.71073","MoKα","","0.1591","0.0942","","","0.2427","0.2938","","","","","","1.018","","","","has coordinates","196259","2020-10-21","18:00:00",""
"7119856","11.472","0.003","16.667","0.004","20.525","0.005","95.2182","0.0017","98.218","0.003","107.846","0.004","3659.3","1.6","123","2","123","2","","","","","","","","5","P -1","-P 1","2","","","","- C80 H62 Cl8 N6 S6 -","- C80 H62 Cl8 N6 S6 -","- C160 H124 Cl16 N12 S12 -","2","1","","Higashino, Tomohiro; Kumagai, Atsushi; Imahori, Hiroshi","Thiophene-fused dithiaoctaphyrins: π-system switching between cross-conjugated and macrocyclic π-networks.","Chemical communications (Cambridge, England)","2017","53","37","5091","5094","10.1039/c7cc01273j","","","0.7107","MoKα","","0.1178","0.0921","","","0.2747","0.3047","","","","","","1.04","","","","has coordinates,has disorder","196266","2020-10-21","18:00:00",""
"7119857","11.382","0.004","13.964","0.005","27.457","0.009","90","","91.853","0.007","90","","4362","3","100","2","100","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C15 H17 B F2 N2 O2 -","- C15 H17 B F2 N2 O2 -","- C180 H204 B12 F24 N24 O24 -","12","1.5","","Lakshmi, Vellanki; Haketa, Yohei; Yamakado, Ryohei; Yasuda, Nobuhiro; Maeda, Hiromitsu","Dimension-controlled assemblies of anion-responsive π-electronic systems bearing aryl substituents with fan-shaped geometries.","Chemical communications (Cambridge, England)","2017","53","27","3834","3837","10.1039/c7cc01551h","","","0.6999","Synchrotron","","0.1508","0.097","","","0.2446","0.2874","","","","","","0.993","","","","has coordinates","194950","2020-10-21","18:00:00",""
"7119858","8.153","0.0019","17.336","0.003","17.063","0.005","90","","103.317","0.001","90","","2346.8","1","93","2","93","2","","","","","","","","6","P 1 21/a 1","-P 2yab","14","","","","- C27 H25 B F2 N2 O2 -","- C27 H25 B F2 N2 O2 -","- C108 H100 B4 F8 N8 O8 -","4","1","","Lakshmi, Vellanki; Haketa, Yohei; Yamakado, Ryohei; Yasuda, Nobuhiro; Maeda, Hiromitsu","Dimension-controlled assemblies of anion-responsive π-electronic systems bearing aryl substituents with fan-shaped geometries.","Chemical communications (Cambridge, England)","2017","53","27","3834","3837","10.1039/c7cc01551h","","","1.54187","CuKα","","0.0345","0.0307","","","0.0815","0.0838","","","","","","1.038","","","","has coordinates","194950","2020-10-21","18:00:00",""
"7119859","11.592","0.004","29.363","0.009","15.588","0.005","90","","104.696","0.005","90","","5132","3","93","2","93","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C48 H76 B2 Cl F4 N5 O4 -","- C48 H76 B2 Cl F4 N5 O4 -","- C192 H304 B8 Cl4 F16 N20 O16 -","4","1","","Lakshmi, Vellanki; Haketa, Yohei; Yamakado, Ryohei; Yasuda, Nobuhiro; Maeda, Hiromitsu","Dimension-controlled assemblies of anion-responsive π-electronic systems bearing aryl substituents with fan-shaped geometries.","Chemical communications (Cambridge, England)","2017","53","27","3834","3837","10.1039/c7cc01551h","","","1.54187","CuKα","","0.1545","0.107","","","0.2918","0.318","","","","","","1.047","","","","has coordinates","194950","2020-10-21","18:00:00",""
"7119860","8.5862","0.0012","19.717","0.002","31.483","0.003","72.702","0.009","85.311","0.012","88.492","0.012","5071.8","1","93","2","93","2","","","","","","","","7","P -1","-P 1","2","","","","- C57.46 H55 B Cl3.62 F2 N5 O2 -","- C57.4575 H55 B Cl3.617 F2 N5 O2 -","- C229.83 H220 B4 Cl14.468 F8 N20 O8 -","4","2","","Lakshmi, Vellanki; Haketa, Yohei; Yamakado, Ryohei; Yasuda, Nobuhiro; Maeda, Hiromitsu","Dimension-controlled assemblies of anion-responsive π-electronic systems bearing aryl substituents with fan-shaped geometries.","Chemical communications (Cambridge, England)","2017","53","27","3834","3837","10.1039/c7cc01551h","","","1.54187","CuKα","","0.1508","0.0934","","","0.2549","0.2912","","","","","","1.012","","","","has coordinates,has disorder","194950","2020-10-21","18:00:00",""
"7119861","18.797","0.004","18.398","0.004","13.758","0.003","90","","90","","90","","4757.9","1.8","291","2","291","2","","","","","","","","7","P n m a","-P 2ac 2n","62","","","","- C40 H42 F12 N8 O4 P2 Pd2 -","- C40 H42 F12 N8 O4 P2 Pd2 -","- C160 H168 F48 N32 O16 P8 Pd8 -","4","0.5","","Chen, Zi-Man; Cui, Yu; Jiang, Xuan-Feng; Tong, Jin; Yu, Shu-Yan","Programmable self-assembly of water-soluble organo-heterometallic cages [M12M'4L12] using 3-(3,5-dimethyl-1H-pyrazol-4-yl)pentane-2,4-dione (H2L).","Chemical communications (Cambridge, England)","2017","53","30","4238","4241","10.1039/c7cc00425g","","","0.71073","MoKα","","0.0377","0.0327","","","0.0892","0.0909","","","","","","1.061","","","","has coordinates","196275","2020-10-21","18:00:00",""
"7119862","25.0517","0.0012","32.2634","0.0014","35.368","0.002","108.968","0.001","101.156","0.002","108.363","0.001","24223","2","123","2","123","2","","","","","","","","8","P -1","-P 1","2","","","","- C256 H288 F72 Fe4 N64 O24 P12 Pd12 -","- C240 H240 F72 Fe4 N48 O24 P12 Pd12 -","- C480 H480 F144 Fe8 N96 O48 P24 Pd24 -","2","1","","Chen, Zi-Man; Cui, Yu; Jiang, Xuan-Feng; Tong, Jin; Yu, Shu-Yan","Programmable self-assembly of water-soluble organo-heterometallic cages [M12M'4L12] using 3-(3,5-dimethyl-1H-pyrazol-4-yl)pentane-2,4-dione (H2L).","Chemical communications (Cambridge, England)","2017","53","30","4238","4241","10.1039/c7cc00425g","","","0.71073","MoKα","","0.0787","0.0408","","","0.1028","0.1124","","","","","","0.794","","","","has coordinates","196275","2020-10-21","18:00:00",""
"7119863","25.6021","0.0015","26.9162","0.0012","36.6641","0.0013","68.991","0.002","73.112","0.002","64.351","0.003","20985.3","1.8","293","2","293","2","","","","","","","","8","P -1","-P 1","2","","","","- C292 H330 F72 Fe4 N62 O24 P12 Pd12 -","- C276 H306 F72 Fe4 N54 O24 P12 Pd12 -","- C552 H612 F144 Fe8 N108 O48 P24 Pd24 -","2","1","","Chen, Zi-Man; Cui, Yu; Jiang, Xuan-Feng; Tong, Jin; Yu, Shu-Yan","Programmable self-assembly of water-soluble organo-heterometallic cages [M12M'4L12] using 3-(3,5-dimethyl-1H-pyrazol-4-yl)pentane-2,4-dione (H2L).","Chemical communications (Cambridge, England)","2017","53","30","4238","4241","10.1039/c7cc00425g","","","0.8001","Synchrotron","","0.0362","0.0324","","","0.077","0.0777","","","","","","0.953","","","","has coordinates","196275","2020-10-21","18:00:00",""
"7119864","16.456","0.013","6.808","0.005","15.922","0.013","90","","111.027","0.012","90","","1665","2","293","","293","2","","","","","","","see text","4","P 1 21/c 1","-P 2ybc","14","","","","- C19 H18 N2 O3 -","- C19 H18 N2 O3 -","- C76 H72 N8 O12 -","4","1","","Hari Babu, Madala; Ranjith Kumar, Gadi; Kant, Ruchir; Sridhar Reddy, Maddi","Ni-Catalyzed regio- and stereoselective addition of arylboronic acids to terminal alkynes with a directing group tether.","Chemical communications (Cambridge, England)","2017","53","27","3894","3897","10.1039/c6cc10256e","","","0.71075","MoKα","","0.1297","0.0714","","","0.191","0.2478","","","","","","0.943","","","","has coordinates","211179","2020-10-21","18:00:00",""
"7119865","9.3404","0.001","11.2518","0.0011","16.982","0.002","90","","90","","90","","1784.7","0.3","293","2","293","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C22 H17 Cl O4 -","- C22 H17 Cl O4 -","- C88 H68 Cl4 O16 -","4","1","","Wang, Shasha; Xiao, Junan; Li, Jun; Xiang, Haoyue; Wang, Chaoming; Chen, Xiaoqing; Carter, Rich G.; Yang, Hua","Discovery of temperature-dependent, autoinductive reversal of enantioselectivity: palladium-mediated [3+3]-annulation of 4-hydroxycoumarins.","Chemical communications (Cambridge, England)","2017","53","32","4441","4444","10.1039/c7cc01610g","","","0.71073","MoKα","","0.0385","0.0305","","","0.0686","0.0723","","","","","","1.022","","","","has coordinates","196268","2020-10-21","18:00:00",""
"7119866","9.3379","0.0002","11.253","0.0003","17.0022","0.0004","90","","90","","90","","1786.58","0.07","296","2","296","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C22 H17 Cl O4 -","- C22 H17 Cl O4 -","- C88 H68 Cl4 O16 -","4","1","","Wang, Shasha; Xiao, Junan; Li, Jun; Xiang, Haoyue; Wang, Chaoming; Chen, Xiaoqing; Carter, Rich G.; Yang, Hua","Discovery of temperature-dependent, autoinductive reversal of enantioselectivity: palladium-mediated [3+3]-annulation of 4-hydroxycoumarins.","Chemical communications (Cambridge, England)","2017","53","32","4441","4444","10.1039/c7cc01610g","","","0.71073","MoKα","","0.0321","0.0279","","","0.0701","0.073","","","","","","0.983","","","","has coordinates","206958","2020-10-21","18:00:00",""
"7119867","9.2185","0.0009","9.7237","0.0009","12.7331","0.0012","83.1537","0.0013","71.5734","0.0013","86.3277","0.0012","1074.71","0.18","296","","296","","","","","","","","","4","P -1","-P 1","2","","3,5-di-tert-butyl-2',3'-dimethylspiro[cyclohexane-1,5'-imidazo[2,1-a]isoindole]-2,5-dien-4-one","","- C25 H30 N2 O -","- C25 H30 N2 O -","- C50 H60 N4 O2 -","2","1","","Kobayashi, Yoichi; Mishima, Yasuhiro; Mutoh, Katsuya; Abe, Jiro","Highly durable photochromic radical complexes having no steric protections of radicals.","Chemical communications (Cambridge, England)","2017","53","31","4315","4318","10.1039/c7cc01439b","","","0.71073","MoKα","","0.0457","0.0403","","","0.1017","0.106","","","","","","1.02","","","","has coordinates","196277","2020-10-21","18:00:00",""
"7119868","15.6139","0.0012","15.7965","0.0013","29.712","0.002","90","","90","","90","","7328.3","1","273","2","273.15","","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","TMOF-2","","","- C56 H50 Cu2 N8 O13 S4 -","- C56 H48 Cu2 N8 O13 S4 -","- C224 H192 Cu8 N32 O52 S16 -","4","1","","Zhang, Guiyang; Fei, Honghan","Missing metal-linker connectivities in a 3-D robust sulfonate-based metal-organic framework for enhanced proton conductivity.","Chemical communications (Cambridge, England)","2017","53","29","4156","4159","10.1039/c7cc01461a","","","0.71073","MoKα","","0.0886","0.0623","","","0.1775","0.1904","","","","","","1.066","","","","has coordinates","196258","2020-10-21","18:00:00",""
"7119869","15.7175","0.0013","14.686","0.0013","16.9957","0.0013","90","","93.399","0.003","90","","3916.2","0.6","299.67","","299.67","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","[Fe(PM-PEA)2(NCSe)2]","","- C42 H28 Fe N6 Se2 -","- C42 H28 Fe N6 Se2 -","- C168 H112 Fe4 N24 Se8 -","4","1","","Tailleur, E.; Marchivie, M.; Daro, N.; Chastanet, G.; Guionneau, P.","Thermal spin-crossover with a large hysteresis spanning room temperature in a mononuclear complex.","Chemical communications (Cambridge, England)","2017","53","35","4763","4766","10.1039/c7cc01806a","","","0.71073","MoKα","","0.1075","0.0591","","","0.1377","0.1704","","","","","","1.035","","","","has coordinates","196301","2020-10-21","18:00:00",""
"7119870","14.444","0.005","14.705","0.004","17.595","0.004","90","","90","","90","","3737.2","1.9","230","","230","","","","","","","","","5","P c c n","-P 2ab 2ac","56","","[Fe(PM-PEA)2(NCSe)2]","","- C42 H28 Fe N6 Se2 -","- C42 H28 Fe N6 Se2 -","- C168 H112 Fe4 N24 Se8 -","4","0.5","","Tailleur, E.; Marchivie, M.; Daro, N.; Chastanet, G.; Guionneau, P.","Thermal spin-crossover with a large hysteresis spanning room temperature in a mononuclear complex.","Chemical communications (Cambridge, England)","2017","53","35","4763","4766","10.1039/c7cc01806a","","","0.71073","MoKα","","0.1117","0.0469","","","0.1005","0.1486","","","","","","1.168","","","","has coordinates","196301","2020-10-21","18:00:00",""
"7119871","20.731","0.001","10.6782","0.0005","14.3738","0.0007","90","","90","","90","","3181.9","0.3","100","2","100","2","","","","","","","","5","P n a 21","P 2c -2n","33","","","","- C14 H50 B18 Mg O6 -","- C14 H50 B18 Mg O6 -","- C56 H200 B72 Mg4 O24 -","4","1","","McArthur, Scott G.; Jay, Rahul; Geng, Linxiao; Guo, Juchen; Lavallo, Vincent","Below the 12-vertex: 10-vertex carborane anions as non-corrosive, halide free, electrolytes for rechargeable Mg batteries.","Chemical communications (Cambridge, England)","2017","53","32","4453","4456","10.1039/c7cc01570d","","","0.71073","MoKα","","0.0425","0.0353","","","0.0811","0.0852","","","","","","1.02","","","","has coordinates","196269","2020-10-21","18:00:00",""
"7119872","6.0088","0.0001","14.488","0.0001","25.2409","0.0002","90","","90","","90","","2197.36","0.04","130","0.1","130","0.1","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C23 H22 Br2 O6 -","- C23 H22 Br2 O6 -","- C92 H88 Br8 O24 -","4","1","","Lepage, Romain J.; White, Jonathan M.; Coster, Mark J.","A bidirectional synthesis of spiroacetals via Rh(ii)-catalysed C-H insertion.","Chemical communications (Cambridge, England)","2017","53","30","4219","4221","10.1039/c7cc00459a","","","1.5418","CuKα","","0.0261","0.0259","","","0.0702","0.0703","","","","","","1.065","","","","has coordinates","196274","2020-10-21","18:00:00",""
"7119873","14.2813","0.0005","3.82559","0.00012","35.5238","0.0012","90","","95.705","0.007","90","","1931.21","0.11","123","","123","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C26 H14 N2 S3 -","- C26 H14 N2 S3 -","- C104 H56 N8 S12 -","4","1","","Li, Ruiji; Nakashima, Takuya; Kawai, Tsuyoshi","A self-contained photoacid generator for super acid based on photochromic terarylene.","Chemical communications (Cambridge, England)","2017","53","31","4339","4341","10.1039/c7cc01635b","","","0.71075","MoKα","","0.0978","0.0576","","","0.1012","0.1135","","","","","","1.021","","","","has coordinates","196280","2020-10-21","18:00:00",""
"7119874","13.2024","0.0003","13.1341","0.0003","29.9533","0.0006","90","","94.445","0.007","90","","5178.3","0.2","123","","123","","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C56 H34 Cl6 N2 O2 S6 -","- C56 H34 Cl6 N2 O2 S6 -","- C224 H136 Cl24 N8 O8 S24 -","4","1","","Li, Ruiji; Nakashima, Takuya; Kawai, Tsuyoshi","A self-contained photoacid generator for super acid based on photochromic terarylene.","Chemical communications (Cambridge, England)","2017","53","31","4339","4341","10.1039/c7cc01635b","","","0.71075","MoKα","","0.135","0.0906","","","0.2273","0.2542","","","","","","1.032","","","","has coordinates","196280","2020-10-21","18:00:00",""
"7119875","8.0146","0.0012","11.5764","0.0018","12.796","0.002","100.955","0.002","90.258","0.002","101.472","0.002","1141.2","0.3","123","2","123","2","","","","","","","","3","P -1","-P 1","2","","","","- C27 H26 O7 -","- C27 H26 O7 -","- C54 H52 O14 -","2","1","","Yoshida, Taira; Mori, Keiji","Hf(OTf)4-Catalyzed highly diastereoselective synthesis of 1,3-disubstituted tetralin derivatives via benzylic C(sp(3))-H bond functionalization.","Chemical communications (Cambridge, England)","2017","53","31","4319","4322","10.1039/c7cc01717k","","","0.71073","MoKα","","0.088","0.0542","","","0.1195","0.1384","","","","","","1.04","","","","has coordinates","196283","2020-10-21","18:00:00",""
"7119876","10.3174","0.0013","19.294","0.002","9.0603","0.0011","90","","104.414","0.002","90","","1746.8","0.4","123","2","123","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C21 H18 O6 -","- C21 H18 O6 -","- C84 H72 O24 -","4","1","","Yoshida, Taira; Mori, Keiji","Hf(OTf)4-Catalyzed highly diastereoselective synthesis of 1,3-disubstituted tetralin derivatives via benzylic C(sp(3))-H bond functionalization.","Chemical communications (Cambridge, England)","2017","53","31","4319","4322","10.1039/c7cc01717k","","","0.71073","MoKα","","0.0554","0.0372","","","0.0849","0.0938","","","","","","1.065","","","","has coordinates","196283","2020-10-21","18:00:00",""
"7119877","11.5834","0.0015","13.5075","0.0018","20.031","0.003","90","","90","","90","","3134.1","0.7","296","2","296","2","","","","","","","","7","P 21 21 21","P 2ac 2ab","19","","[(dbzbpen)Cu(OH2)](BF4)2","","- C29 H36 B2 Cu F8 N4 O2 -","- C29 H36 B2 Cu F8 N4 O2 -","- C116 H144 B8 Cu4 F32 N16 O8 -","4","1","","Shen, Junyu; Wang, Mei; Zhang, Peili; Jiang, Jian; Sun, Licheng","Electrocatalytic water oxidation by copper(ii) complexes containing a tetra- or pentadentate amine-pyridine ligand.","Chemical communications (Cambridge, England)","2017","53","31","4374","4377","10.1039/c7cc00332c","","","0.71073","MoKα","","0.0653","0.0605","","","0.1618","0.1655","","","","","","1.045","","","","has coordinates","196284","2020-10-21","18:00:00",""
"7119878","18.4892","0.0017","23.007","0.002","28.19","0.003","90","","105.363","0.004","90","","11563","1.9","150","2","150","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C54 H112 Cu6 N44 O76 Tb12 -","- C54 H54 Cu6 N44 O76 Tb12 -","- C108 H108 Cu12 N88 O152 Tb24 -","2","0.5","","Alexandropoulos, Dimitris I.; Poole, Katye M.; Cunha-Silva, Luis; Ahmad Sheikh, Javeed; Wernsdorfer, Wolfgang; Christou, George; Stamatatos, Theocharis C.","A family of 'windmill'-like {Cu6Ln12} complexes exhibiting single-molecule magnetism behavior and large magnetic entropy changes.","Chemical communications (Cambridge, England)","2017","53","30","4266","4269","10.1039/c7cc01382e","","","0.71073","MoKα","","0.0944","0.0736","","","0.1714","0.1913","","","","","","0.777","","","","has coordinates","196276","2020-10-21","18:00:00",""
"7119879","18.3651","0.0014","19.1074","0.0014","27.704","0.002","79.752","0.004","84.836","0.003","74.865","0.003","9225","1.2","150","2","150","2","","","","","","","","6","P -1","-P 1","2","","","","- C132 H254 Cu12 Gd24 N88 O158 -","- C132 H180 Cu12 Gd24 N88 O158 -","- C132 H180 Cu12 Gd24 N88 O158 -","1","0.5","","Alexandropoulos, Dimitris I.; Poole, Katye M.; Cunha-Silva, Luis; Ahmad Sheikh, Javeed; Wernsdorfer, Wolfgang; Christou, George; Stamatatos, Theocharis C.","A family of 'windmill'-like {Cu6Ln12} complexes exhibiting single-molecule magnetism behavior and large magnetic entropy changes.","Chemical communications (Cambridge, England)","2017","53","30","4266","4269","10.1039/c7cc01382e","","","0.71073","MoKα","","0.0812","0.0543","","","0.1169","0.1334","","","","","","0.825","","","","has coordinates","196276","2020-10-21","18:00:00",""
"7119880","18.478","0.003","22.949","0.003","28.154","0.004","90","","105.36","0.005","90","","11512","3","150","2","150","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C54 H112 Cu6 Dy12 N44 O76 -","- C54 H54 Cu6 Dy12 N44 O76 -","- C108 H108 Cu12 Dy24 N88 O152 -","2","0.5","","Alexandropoulos, Dimitris I.; Poole, Katye M.; Cunha-Silva, Luis; Ahmad Sheikh, Javeed; Wernsdorfer, Wolfgang; Christou, George; Stamatatos, Theocharis C.","A family of 'windmill'-like {Cu6Ln12} complexes exhibiting single-molecule magnetism behavior and large magnetic entropy changes.","Chemical communications (Cambridge, England)","2017","53","30","4266","4269","10.1039/c7cc01382e","","","0.71073","MoKα","","0.0562","0.0474","","","0.1172","0.1252","","","","","","0.673","","","","has coordinates","196276","2020-10-21","18:00:00",""
"7119881","9.542","0.005","11.051","0.006","11.5","0.007","105.75","0.02","108.68","0.02","95.23","0.02","1084.4","1.1","296","2","296","2","","","","","","","","4","P -1","-P 1","2","","","","- C26 H20 Br N3 -","- C26 H20 Br N3 -","- C52 H40 Br2 N6 -","2","1","","Singh, RahulKumar Rajmani; Liu, Rai-Shung","Gold-catalyzed oxidative couplings of two indoles with one aryldiazo cyanide under oxidant-free conditions.","Chemical communications (Cambridge, England)","2017","53","33","4593","4596","10.1039/c7cc01304c","","","0.71073","MoKα","","0.2308","0.0685","","","0.1448","0.2086","","","","","","0.923","","","","has coordinates","196271","2020-10-21","18:00:00",""
"7119882","12.1816","0.0003","7.75707","0.00017","12.8655","0.0003","90","","101.439","0.0014","90","","1191.56","0.05","123","","123","","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C29 H29 N O4 -","- C29 H29 N O4 -","- C58 H58 N2 O8 -","2","1","","Arlt, Alexander; Toyama, Hideaki; Takada, Koji; Hashimoto, Takuya; Maruoka, Keiji","Phase-transfer catalyzed asymmetric synthesis of α,β-unsaturated γ,γ-disubstituted γ-lactams.","Chemical communications (Cambridge, England)","2017","53","35","4779","4782","10.1039/c7cc01058c","","","1.54187","CuKα","","0.1006","0.0486","","","0.1071","0.162","","","","","","1.158","","","","has coordinates","196297","2020-10-21","18:00:00",""
"7119883","17.5157","0.0004","28.4071","0.0006","34.7703","0.0007","90","","90","","90","","17300.7","0.6","123","","123","","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C23 H24 Br N O4 -","- C23 H24 Br N O4 -","- C736 H768 Br32 N32 O128 -","32","8","","Arlt, Alexander; Toyama, Hideaki; Takada, Koji; Hashimoto, Takuya; Maruoka, Keiji","Phase-transfer catalyzed asymmetric synthesis of α,β-unsaturated γ,γ-disubstituted γ-lactams.","Chemical communications (Cambridge, England)","2017","53","35","4779","4782","10.1039/c7cc01058c","","","1.54187","CuKα","","","0.0368","","","","0.0854","","","","","","1.131","","","","has coordinates","196297","2020-10-21","18:00:00",""
"7119884","7.164","0.0004","9.2165","0.0005","10.1606","0.0005","85.162","0.004","82.217","0.004","81.222","0.005","655.52","0.06","93","2","93","2","","","","","","","","3","P -1","-P 1","2","","4-(hydroxymethyl)coumarin 7-benzoate","","- C17 H12 O5 -","- C17 H12 O5 -","- C34 H24 O10 -","2","1","","Ji, Wei; Zhang, Shijin; Filonenko, Georgy A.; Li, Guanying; Sasaki, Toshio; Feng, Chuanliang; Zhang, Ye","Co-organizing synthesis of heterogeneous nanostructures through the photo-cleavage of pre-stabilized self-assemblies.","Chemical communications (Cambridge, England)","2017","53","34","4702","4705","10.1039/c7cc01912b","","x-ray","0.71073","MoKα","","0.0613","0.0504","","","0.1359","0.1434","","","","","","1.037","","","","has coordinates","196302","2020-10-21","18:00:00",""
"7119885","9.2518","0.0012","18.883","0.003","15.178","0.002","90","","94.143","0.005","90","","2644.7","0.6","173","2","173","2","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C28 H28 Br N3 O3 S -","- C28 H28 Br N3 O3 S -","- C112 H112 Br4 N12 O12 S4 -","4","2","","Zhu, Chao-Ze; Feng, Jian-Jun; Zhang, Junliang","Rhodium-catalyzed intermolecular [3+3] cycloaddition of vinyl aziridines with C,N-cyclic azomethine imines: stereospecific synthesis of chiral fused tricyclic 1,2,4-hexahydrotriazines.","Chemical communications (Cambridge, England)","2017","53","34","4688","4691","10.1039/c7cc02078c","","","0.71073","MoKα","","0.1195","0.0635","","","0.1419","0.1724","","","","","","1.012","","","","has coordinates","196306","2020-10-21","18:00:00",""
"7119886","13.392","0.003","9.3651","0.0019","14.198","0.003","90","","96.308","0.005","90","","1769.9","0.7","296","2","296","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C19 H22 O5 -","- C19 H22 O5 -","- C76 H88 O20 -","4","1","","Min, Junxiang; Xu, Guangyang; Sun, Jiangtao","A controlled selective synthesis of dihydropyrans through tandem reaction of alkynes with diazo compounds.","Chemical communications (Cambridge, England)","2017","53","31","4350","4353","10.1039/c7cc01616f","","","0.71073","MoKα","","0.0817","0.0526","","","0.1594","0.1779","","","","","","1.058","","","","has coordinates","196281","2020-10-21","18:00:00",""
"7119887","10.6312","0.0002","15.7365","0.0003","18.2828","0.0003","90","","90","","90","","3058.67","0.1","140","0.1","140","0.1","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","3b_le-4-140","","- C33 H40 N4 O -","- C33 H40 N4 O -","- C132 H160 N16 O4 -","4","1","","Eymann, Léonard Y M; Scopelliti, Rosario; Fadaei, Farzaneh T.; Cecot, Giacomo; Solari, Euro; Severin, Kay","Fixation of nitrous oxide by mesoionic and carbanionic N-heterocyclic carbenes.","Chemical communications (Cambridge, England)","2017","53","31","4331","4334","10.1039/c7cc01592e","","x-ray","1.54184","CuKα","","0.0459","0.0401","","","0.1048","0.1083","","","","","","1.03","","","","has coordinates","196282","2020-10-21","18:00:00",""
"7119888","15.0226","0.0003","11.73248","0.00017","19.0842","0.0003","90","","105.014","0.0018","90","","3248.81","0.1","100","0.1","100","0.1","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","3a_le-5-2","","- C35 H48 N4 O3 -","- C35 H48 N4 O3 -","- C140 H192 N16 O12 -","4","1","","Eymann, Léonard Y M; Scopelliti, Rosario; Fadaei, Farzaneh T.; Cecot, Giacomo; Solari, Euro; Severin, Kay","Fixation of nitrous oxide by mesoionic and carbanionic N-heterocyclic carbenes.","Chemical communications (Cambridge, England)","2017","53","31","4331","4334","10.1039/c7cc01592e","","x-ray","1.54184","CuKα","","0.0578","0.0508","","","0.1367","0.1423","","","","","","1.045","","","","has coordinates","196282","2020-10-21","18:00:00",""
"7119889","9.56973","0.00017","16.68","0.0003","20.6981","0.0004","90","","101.347","0.0019","90","","3239.32","0.11","140","0.1","140","0.1","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","4_le-5-7","","- C35 H46 N4 O2 -","- C35 H46 N4 O2 -","- C140 H184 N16 O8 -","4","1","","Eymann, Léonard Y M; Scopelliti, Rosario; Fadaei, Farzaneh T.; Cecot, Giacomo; Solari, Euro; Severin, Kay","Fixation of nitrous oxide by mesoionic and carbanionic N-heterocyclic carbenes.","Chemical communications (Cambridge, England)","2017","53","31","4331","4334","10.1039/c7cc01592e","","x-ray","1.54184","CuKα","","0.0698","0.0579","","","0.1609","0.1723","","","","","","1.036","","","","has coordinates,has disorder","196282","2020-10-21","18:00:00",""
"7119890","16.89427","0.00017","12.89091","0.00013","20.8753","0.0002","90","","109.346","0.0012","90","","4289.56","0.08","100","0.1","100","0.1","","","","","","","","5","P 1 2/n 1","-P 2yac","13","","5_LE-5-69","","- C78 H102 K2 N12 O9 -","- C78 H102 K2 N12 O9 -","- C156 H204 K4 N24 O18 -","2","0.5","","Eymann, Léonard Y M; Scopelliti, Rosario; Fadaei, Farzaneh T.; Cecot, Giacomo; Solari, Euro; Severin, Kay","Fixation of nitrous oxide by mesoionic and carbanionic N-heterocyclic carbenes.","Chemical communications (Cambridge, England)","2017","53","31","4331","4334","10.1039/c7cc01592e","","x-ray","1.54184","CuKα","","0.0931","0.0886","","","0.2284","0.2326","","","","","","1.029","","","","has coordinates,has disorder","196282","2020-10-21","18:00:00",""
"7119891","14.5259","0.0003","19.9419","0.0003","29.1694","0.0006","90","","101.055","0.0018","90","","8292.8","0.3","100.01","0.1","100.01","0.1","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","6_LE-5-55","","- C40 H47 Br N4 O -","- C40 H47 Br N4 O -","- C320 H376 Br8 N32 O8 -","8","1","","Eymann, Léonard Y M; Scopelliti, Rosario; Fadaei, Farzaneh T.; Cecot, Giacomo; Solari, Euro; Severin, Kay","Fixation of nitrous oxide by mesoionic and carbanionic N-heterocyclic carbenes.","Chemical communications (Cambridge, England)","2017","53","31","4331","4334","10.1039/c7cc01592e","","x-ray","1.54184","CuKα","","0.0426","0.0405","","","0.1036","0.1048","","","","","","1.055","","","","has coordinates,has disorder","196282","2020-10-21","18:00:00",""
"7119892","15.33916","0.00012","15.62771","0.00007","15.99955","0.00012","90","","112.04","0.0009","90","","3555.08","0.05","100","2","100","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","1_LE-5-11","","- C35 H51 Li N6 O4 -","- C35 H51 Li N6 O4 -","- C140 H204 Li4 N24 O16 -","4","1","","Eymann, Léonard Y M; Scopelliti, Rosario; Fadaei, Farzaneh T.; Cecot, Giacomo; Solari, Euro; Severin, Kay","Fixation of nitrous oxide by mesoionic and carbanionic N-heterocyclic carbenes.","Chemical communications (Cambridge, England)","2017","53","31","4331","4334","10.1039/c7cc01592e","","x-ray","0.7129","synchrotron","","0.0456","0.0445","","","0.1224","0.1233","","","","","","1.045","","","","has coordinates,has disorder","196282","2020-10-21","18:00:00",""
"7119893","8.2326","0.0002","13.5545","0.0003","17.4759","0.0004","90","","90","","90","","1950.11","0.08","293","2","293","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C19 H22 N2 O5 S Zn -","- C19 H22 N2 O5 S Zn -","- C76 H88 N8 O20 S4 Zn4 -","4","1","","Karak, Suvendu; Kumar, Sushil; Bera, Saibal; Díaz, David Díaz; Banerjee, Subhrashis; Vanka, Kumar; Banerjee, Rahul","Interplaying anions in a supramolecular metallohydrogel to form metal organic frameworks.","Chemical communications (Cambridge, England)","2017","53","26","3705","3708","10.1039/c7cc00539c","","","1.54184","CuKα","","0.0416","0.0401","","","0.1116","0.1181","","","","","","1.069","","","","has coordinates","194903","2020-10-21","18:00:00",""
"7119894","6.2031","0.0002","13.9957","0.0006","16.9125","0.0006","90","","90","","90","","1468.29","0.09","293","2","293","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C12 H17 Cl N2 O3 Zn -","- C12 H17 Cl N2 O3 Zn -","- C48 H68 Cl4 N8 O12 Zn4 -","4","1","","Karak, Suvendu; Kumar, Sushil; Bera, Saibal; Díaz, David Díaz; Banerjee, Subhrashis; Vanka, Kumar; Banerjee, Rahul","Interplaying anions in a supramolecular metallohydrogel to form metal organic frameworks.","Chemical communications (Cambridge, England)","2017","53","26","3705","3708","10.1039/c7cc00539c","","","0.71073","MoKα","","0.0458","0.035","","","0.06","0.0627","","","","","","0.94","","","","has coordinates","194903","2020-10-21","18:00:00",""
"7119895","6.166","0.005","15.763","0.005","17.831","0.005","90","0.005","90","0.005","90","0.005","1733.1","1.6","293","2","293","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C14 H22 N2 O6 Zn -","- C14 H22 N2 O6 Zn -","- C56 H88 N8 O24 Zn4 -","4","1","","Karak, Suvendu; Kumar, Sushil; Bera, Saibal; Díaz, David Díaz; Banerjee, Subhrashis; Vanka, Kumar; Banerjee, Rahul","Interplaying anions in a supramolecular metallohydrogel to form metal organic frameworks.","Chemical communications (Cambridge, England)","2017","53","26","3705","3708","10.1039/c7cc00539c","","","0.71073","MoKα","","0.0622","0.0594","","","0.1667","0.1715","","","","","","1.054","","","","has coordinates","194903","2020-10-21","18:00:00",""
"7119896","17.764","0.003","17.764","0.003","10.4098","0.0012","90","","90","","120","","2844.8","0.8","293","2","293","2","","","","","","","","5","P 61","P 61","169","","","","- C12 H17 N5 O2 Zn -","- C12 H17 N5 O2 Zn -","- C72 H102 N30 O12 Zn6 -","6","1","","Karak, Suvendu; Kumar, Sushil; Bera, Saibal; Díaz, David Díaz; Banerjee, Subhrashis; Vanka, Kumar; Banerjee, Rahul","Interplaying anions in a supramolecular metallohydrogel to form metal organic frameworks.","Chemical communications (Cambridge, England)","2017","53","26","3705","3708","10.1039/c7cc00539c","","","0.71073","MoKα","","0.1268","0.0864","","","0.2175","0.2485","","","","","","1.013","","","","has coordinates","194903","2020-10-21","18:00:00",""
"7119897","6.2078","0.0006","14.2553","0.0011","17.0701","0.0016","90","","90","","90","","1510.6","0.2","293","2","293","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C12 H19 Br N2 O3 Zn -","- C12 H19 Br N2 O3 Zn -","- C48 H76 Br4 N8 O12 Zn4 -","4","1","","Karak, Suvendu; Kumar, Sushil; Bera, Saibal; Díaz, David Díaz; Banerjee, Subhrashis; Vanka, Kumar; Banerjee, Rahul","Interplaying anions in a supramolecular metallohydrogel to form metal organic frameworks.","Chemical communications (Cambridge, England)","2017","53","26","3705","3708","10.1039/c7cc00539c","","","0.71073","MoKα","","0.1519","0.0997","","","0.216","0.2708","","","","","","0.962","","","","has coordinates","194903","2020-10-21","18:00:00",""
"7119898","7.7667","0.0003","5.8151","0.0002","13.6758","0.0006","90","","102.312","0.004","90","","603.45","0.04","293","2","293","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C12 H18 N2 O2 -","- C12 H18 N2 O2 -","- C24 H36 N4 O4 -","2","1","","Karak, Suvendu; Kumar, Sushil; Bera, Saibal; Díaz, David Díaz; Banerjee, Subhrashis; Vanka, Kumar; Banerjee, Rahul","Interplaying anions in a supramolecular metallohydrogel to form metal organic frameworks.","Chemical communications (Cambridge, England)","2017","53","26","3705","3708","10.1039/c7cc00539c","","","0.71073","MoKα","","0.0417","0.0393","","","0.0991","0.1003","","","","","","1.164","","","","has coordinates","194903","2020-10-21","18:00:00",""
"7119899","6.1863","0.0003","16.8458","0.0007","15.5108","0.0013","90","","96.948","0.006","90","","1604.56","0.17","293","2","293","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C12 H19 N3 O6 Zn -","- C12 H19 N3 O6 Zn -","- C48 H76 N12 O24 Zn4 -","4","2","","Karak, Suvendu; Kumar, Sushil; Bera, Saibal; Díaz, David Díaz; Banerjee, Subhrashis; Vanka, Kumar; Banerjee, Rahul","Interplaying anions in a supramolecular metallohydrogel to form metal organic frameworks.","Chemical communications (Cambridge, England)","2017","53","26","3705","3708","10.1039/c7cc00539c","","","0.71073","MoKα","","0.08","0.0705","","","0.1838","0.1949","","","","","","1.027","","","","has coordinates","194903","2020-10-21","18:00:00",""
"7119900","17.9746","0.0009","15.7488","0.0008","26.9666","0.0014","90","","107.71","0.001","90","","7271.9","0.6","100","2","100","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C68.5 H112.5 Dy Li N4 O6 -","- C68.5 H112.5 Dy Li N4 O6 -","- C274 H450 Dy4 Li4 N16 O24 -","4","1","","Long, Jérôme; Shestakov, Boris G.; Liu, Dan; Chibotaru, Liviu F.; Guari, Yannick; Cherkasov, Anton V.; Fukin, Georgy K.; Trifonov, Alexander A.; Larionova, Joulia","An organolanthanide(iii) single-molecule magnet with an axial crystal-field: influence of the Raman process over the slow relaxation.","Chemical communications (Cambridge, England)","2017","53","34","4706","4709","10.1039/c7cc02213a","","","0.71073","MoKα","","0.0426","0.0338","","","0.086","0.0893","","","","","","1.047","","","","has coordinates,has disorder","196304","2020-10-21","18:00:00",""
"7119901","16.8819","0.0019","15.9384","0.0013","27.699","0.002","90","","103.719","0.009","90","","7240.4","1.2","100","2","100","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C67 H109 Er Li N4 O6 -","- C67 H109 Er Li N4 O6 -","- C268 H436 Er4 Li4 N16 O24 -","4","1","","Long, Jérôme; Shestakov, Boris G.; Liu, Dan; Chibotaru, Liviu F.; Guari, Yannick; Cherkasov, Anton V.; Fukin, Georgy K.; Trifonov, Alexander A.; Larionova, Joulia","An organolanthanide(iii) single-molecule magnet with an axial crystal-field: influence of the Raman process over the slow relaxation.","Chemical communications (Cambridge, England)","2017","53","34","4706","4709","10.1039/c7cc02213a","","","0.71073","MoKα","","0.0997","0.0575","","","0.1311","0.1463","","","","","","1.03","","","","has coordinates,has disorder","196304","2020-10-21","18:00:00",""
"7119902","18.126","0.003","15.536","0.003","26.498","0.005","90","","107.529","0.003","90","","7115","2","100","2","100","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C69 H114 Li N4 O7 Tb -","- C69 H114 Li N4 O7 Tb -","- C276 H456 Li4 N16 O28 Tb4 -","4","1","","Long, Jérôme; Shestakov, Boris G.; Liu, Dan; Chibotaru, Liviu F.; Guari, Yannick; Cherkasov, Anton V.; Fukin, Georgy K.; Trifonov, Alexander A.; Larionova, Joulia","An organolanthanide(iii) single-molecule magnet with an axial crystal-field: influence of the Raman process over the slow relaxation.","Chemical communications (Cambridge, England)","2017","53","34","4706","4709","10.1039/c7cc02213a","","","0.71073","MoKα","","0.1034","0.0883","","","0.2277","0.236","","","","","","1.171","","","","has coordinates,has disorder","196304","2020-10-21","18:00:00",""
"7119903","16.1232","0.0001","17.3948","0.0001","24.3737","0.0002","90","","90","","90","","6835.84","0.08","100","2","100","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C65.89 H106.71 Dy Li N4 O6.94 -","- C65.884 H106.71 Dy Li N4 O6.942 -","- C263.536 H426.84 Dy4 Li4 N16 O27.768 -","4","1","","Long, Jérôme; Shestakov, Boris G.; Liu, Dan; Chibotaru, Liviu F.; Guari, Yannick; Cherkasov, Anton V.; Fukin, Georgy K.; Trifonov, Alexander A.; Larionova, Joulia","An organolanthanide(iii) single-molecule magnet with an axial crystal-field: influence of the Raman process over the slow relaxation.","Chemical communications (Cambridge, England)","2017","53","34","4706","4709","10.1039/c7cc02213a","","","0.71073","MoKα","","0.0463","0.0397","","","0.0967","0.1006","","","","","","1.105","","","","has coordinates,has disorder","196304","2020-10-21","18:00:00",""
"7119904","17.9007","0.0006","13.4705","0.0004","18.9244","0.0007","90","","98.1603","0.0016","90","","4517.1","0.3","297","2","297","2","","","","","","","","5","P 1 21 1","P 2yb","4","","1","","- C37 H27 Br N2 O2 -","- C37 H27 Br N2 O2 -","- C222 H162 Br6 N12 O12 -","6","3","","Zhu, Guodong; Wu, Shiqi; Bao, Xiaoze; Cui, Longchen; Zhang, Yanpeng; Qu, Jingping; Chen, Hongbo; Wang, Baomin","Asymmetric [3+2] cycloaddition of 3-amino oxindole-based azomethine ylides with α,β-ynones: a straightforward approach to spirooxindoles incorporating 2,5-dihydropyrroles and pyrroles.","Chemical communications (Cambridge, England)","2017","53","34","4714","4717","10.1039/c7cc01653k","","","0.71073","MoKα","","0.0736","0.0391","","","0.0839","0.0923","","","","","","0.988","","","","has coordinates","196307","2020-10-21","18:00:00",""
"7119905","9.5389","0.0003","10.7066","0.0003","11.237","0.0003","66.541","0.001","73.749","0.002","85.725","0.002","1009.82","0.05","296","2","296","2","","","","","","","","6","P -1","-P 1","2","","","","- C24 H18 Cl N O2 S -","- C24 H18 Cl N O2 S -","- C48 H36 Cl2 N2 O4 S2 -","2","1","","Mao, Xi; Tong, Tao; Fan, Senbao; Fang, Liting; Wu, Jingyi; Wang, Xiaoxia; Kang, Honglan; Lv, Xin","One-pot synthesis of thiazino[2,3,4-hi]indole derivatives through a tandem oxidative coupling/heteroannulation process.","Chemical communications (Cambridge, England)","2017","53","34","4718","4721","10.1039/c7cc00992e","","","0.71073","MoKα","","","0.0577","","","0.1375","0.1567","","","","","","1.055","","","","has coordinates","196308","2020-10-21","18:00:00",""
"7119906","8.774","0.005","10.058","0.005","14.512","0.005","96.541","0.005","105.912","0.005","108.607","0.005","1138.4","0.9","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","","","- C26 H30 N2 O3 S -","- C26 H30 N2 O3 S -","- C52 H60 N4 O6 S2 -","2","1","","Wani, Imtiyaz Ahmad; Sayyad, Masthanvali; Ghorai, Manas K.","Domino ring-opening cyclization (DROC) of activated aziridines and epoxides with nitrones via dual-catalysis ""on water"".","Chemical communications (Cambridge, England)","2017","53","31","4386","4389","10.1039/c7cc01033h","","","0.71073","MoKα","","0.0669","0.0454","","","0.104","0.1133","","","","","","1.014","","","","has coordinates","196278","2020-10-21","18:00:00",""
"7119907","5.4942","0.0017","18.284","0.006","6.781","0.002","90","","103.824","0.005","90","","661.5","0.4","100","2","100","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C16 H17 N O2 -","- C16 H17 N O2 -","- C32 H34 N2 O4 -","2","1","","Wani, Imtiyaz Ahmad; Sayyad, Masthanvali; Ghorai, Manas K.","Domino ring-opening cyclization (DROC) of activated aziridines and epoxides with nitrones via dual-catalysis ""on water"".","Chemical communications (Cambridge, England)","2017","53","31","4386","4389","10.1039/c7cc01033h","","","0.71073","MoKα","","0.0765","0.0555","","","0.1348","0.1826","","","","","","0.998","","","","has coordinates","196278","2020-10-21","18:00:00",""
"7119908","9.9562","0.0006","12.5624","0.0007","16.3026","0.001","90","","92.165","0.002","90","","2037.6","0.2","100","2","100","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C23 H24 N2 O3 S -","- C23 H24 N2 O3 S -","- C92 H96 N8 O12 S4 -","4","1","","Wani, Imtiyaz Ahmad; Sayyad, Masthanvali; Ghorai, Manas K.","Domino ring-opening cyclization (DROC) of activated aziridines and epoxides with nitrones via dual-catalysis ""on water"".","Chemical communications (Cambridge, England)","2017","53","31","4386","4389","10.1039/c7cc01033h","","","0.71073","MoKα","","0.0721","0.0467","","","0.1073","0.1216","","","","","","1.015","","","","has coordinates","196278","2020-10-21","18:00:00",""
"7119909","25.3416","0.0004","25.3416","0.0004","16.5233","0.0003","90","","90","","120","","9189.6","0.3","293","2","293","2","","","","","","","","7","P -3","-P 3","147","","","","- C108.75 H87.75 Ag7 B7 F28 N38.25 O2.25 -","- C108.75 H87.75 Ag7 B7 F28 N38.25 O2.25 -","- C217.5 H175.5 Ag14 B14 F56 N76.5 O4.5 -","2","0.333333","","Li, Cheng-Peng; Zhou, Hang; Wang, Si; Yuan, Hong-Han; Zhang, Su-Zhen; Du, Miao","A nanoporous Ag(i) coordination polymer for selective adsorption of carcinogenic dye Acid Red 26.","Chemical communications (Cambridge, England)","2017","53","35","4767","4770","10.1039/c7cc02005h","","","1.54184","CuKα","","0.077","0.0555","","","0.1315","0.1389","","","","","","1.017","","","","has coordinates","196296","2020-10-21","18:00:00",""
"7119910","25.4554","0.0003","25.4554","0.0003","16.5591","0.0002","90","","90","","120","","9292.39","0.19","293","2","293","2","","","","","","","","6","P -3","-P 3","147","","","","- C102 H72 Ag7 Cl7 N36 O28 -","- C102 H72 Ag7 Cl7 N36 O28 -","- C204 H144 Ag14 Cl14 N72 O56 -","2","0.333333","","Li, Cheng-Peng; Zhou, Hang; Wang, Si; Yuan, Hong-Han; Zhang, Su-Zhen; Du, Miao","A nanoporous Ag(i) coordination polymer for selective adsorption of carcinogenic dye Acid Red 26.","Chemical communications (Cambridge, England)","2017","53","35","4767","4770","10.1039/c7cc02005h","","","1.54184","CuKα","","0.0437","0.0359","","","0.0918","0.0948","","","","","","1.003","","","","has coordinates","196296","2020-10-21","18:00:00",""
"7119911","24.2819","0.0006","9.3561","0.0002","25.4208","0.0007","90","","90.908","0.002","90","","5774.5","0.2","99.99","0.1","99.99","0.1","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C27 H40 I N2 O3 P -","- C27 H37.5 I N2 O3 P -","- C216 H300 I8 N16 O24 P8 -","8","2","","Li, Shiwu; Gao, Meng; Wang, Shuxia; Hu, Rongrong; Zhao, Zujin; Qin, Anjun; Tang, Ben Zhong","Light up detection of heparin based on aggregation-induced emission and synergistic counter ion displacement.","Chemical communications (Cambridge, England)","2017","53","35","4795","4798","10.1039/c7cc01602f","","x-ray","0.71073","MoKα","","0.0702","0.0443","","","0.0864","0.0954","","","","","","1","","","","has coordinates,has disorder","196295","2020-10-21","18:00:00",""
"7119912","12.038","0.002","12.491","0.003","16.889","0.003","93.07","0.03","103.47","0.03","90.98","0.03","2465","0.9","293","2","293","2","","","","","","","","8","P -1","-P 1","2","","","","- C42 H36 I19 K5 N6 O16 Pb6 Zn2 -","- C42 H36 I19 K5 N6 O16 Pb6 Zn2 -","- C42 H36 I19 K5 N6 O16 Pb6 Zn2 -","1","0.5","","Liu, Jian-Jun; Guan, Ying-Fang; Li, Ling; Chen, Yong; Dai, Wen-Xin; Huang, Chang-Cang; Lin, Mei-Jin","Construction of a bicontinuous donor-acceptor hybrid material at the molecular level by inserting inorganic nanowires into porous MOFs.","Chemical communications (Cambridge, England)","2017","53","32","4481","4484","10.1039/c7cc00495h","","","0.71073","MoKα","","0.0847","0.0622","","","0.1731","0.1905","","","","","","1.053","","","","has coordinates","196270","2020-10-21","18:00:00",""
"7119913","18.7223","0.0011","5.7758","0.0004","20.8283","0.0014","90","","91.165","0.006","90","","2251.8","0.3","153","2","153","2","","","","","","","","6","P 1 2/n 1","-P 2yac","13","","","","- C14 H12 I N2 O4 Zn0.5 -","- C14 H12 I N2 O4 Zn0.5 -","- C56 H48 I4 N8 O16 Zn2 -","4","1","","Liu, Jian-Jun; Guan, Ying-Fang; Li, Ling; Chen, Yong; Dai, Wen-Xin; Huang, Chang-Cang; Lin, Mei-Jin","Construction of a bicontinuous donor-acceptor hybrid material at the molecular level by inserting inorganic nanowires into porous MOFs.","Chemical communications (Cambridge, England)","2017","53","32","4481","4484","10.1039/c7cc00495h","","","0.71073","MoKα","","0.1455","0.1313","","","0.4515","0.4748","","","","","","1.187","","","","has coordinates","196270","2020-10-21","18:00:00",""
"7119914","14.945","0.002","16.857","0.003","18.059","0.003","90","","90","","90","","4549.6","1.3","293","2","293","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C27 H26 N2 O2 S -","- C27 H26 N2 O2 S -","- C216 H208 N16 O16 S8 -","8","1","","Zhang, Yan-Yan; Wei, Yin; Tang, Xiang-Ying; Shi, Min","Dual-role of PtCl2 Catalysis in the Intramolecular Cyclization of (Hetero)Aryl-Allenes for the Facile Construction of Substituted 2,3-Dihydropyrroles and Polyheterocyclic Skeletons","Chem. Commun.","2017","","","","","10.1039/C7CC01684K","","","0.71073","MoKα","","0.1117","0.049","","","0.1021","0.1231","","","","","","0.995","","","","has coordinates","195251","2020-10-21","18:00:00",""
"7119915","25.934","0.005","8.1289","0.0014","17.387","0.003","90","","104.645","0.003","90","","3546.4","1.1","296","2","296","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C20 H19 N O2 S2 -","- C20 H19 N O2 S2 -","- C160 H152 N8 O16 S16 -","8","1","","Zhang, Yan-Yan; Wei, Yin; Tang, Xiang-Ying; Shi, Min","Dual-role of PtCl2 Catalysis in the Intramolecular Cyclization of (Hetero)Aryl-Allenes for the Facile Construction of Substituted 2,3-Dihydropyrroles and Polyheterocyclic Skeletons","Chem. Commun.","2017","","","","","10.1039/C7CC01684K","","","0.71073","MoKα","","0.0851","0.0524","","","0.1261","0.148","","","","","","1.026","","","","has coordinates","195251","2020-10-21","18:00:00",""
"7119916","16.677","0.004","8.1292","0.0016","11.693","0.002","90","","98.956","0.004","90","","1565.9","0.6","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C16 H17 N O2 S2 -","- C16 H17 N O2 S2 -","- C64 H68 N4 O8 S8 -","4","1","","Zhang, Yan-Yan; Wei, Yin; Tang, Xiang-Ying; Shi, Min","Dual-role of PtCl2 Catalysis in the Intramolecular Cyclization of (Hetero)Aryl-Allenes for the Facile Construction of Substituted 2,3-Dihydropyrroles and Polyheterocyclic Skeletons","Chem. Commun.","2017","","","","","10.1039/C7CC01684K","","","0.71073","MoKα","","0.0899","0.0721","","","0.2027","0.2216","","","","","","1.039","","","","has coordinates,has disorder","195251","2020-10-21","18:00:00",""
"7119917","7.877","0.006","15.693","0.015","11.2","0.009","90","","91.77","0.019","90","","1384","2","93","2","93","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C7 H12 Co N7 O3 Sr -","- C7 H12 Co N7 O3 Sr -","- C28 H48 Co4 N28 O12 Sr4 -","4","1","","Liu, Yu-Ling; Zhang, Wen","Dual stimuli-triggered dielectric switching and sensing in a host-guest cyanometallate framework","Chem. Commun.","2017","","","","","10.1039/C7CC00812K","","","0.71073","MoKα","","0.0369","0.0303","","","0.0666","0.0705","","","","","","1.075","","","","has coordinates","195267","2020-10-21","18:00:00",""
"7119918","7.7158","0.0015","16.218","0.003","11.266","0.002","90","","90.72","0.03","90","","1409.7","0.5","293","2","293","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C7 H12 Co N7 O3 Sr -","- C7 H12 Co N7 O3 Sr -","- C28 H48 Co4 N28 O12 Sr4 -","4","1","","Liu, Yu-Ling; Zhang, Wen","Dual stimuli-triggered dielectric switching and sensing in a host-guest cyanometallate framework","Chem. Commun.","2017","","","","","10.1039/C7CC00812K","","","0.71073","MoKα","","0.0616","0.044","","","0.0852","0.09","","","","","","1.176","","","","has coordinates,has disorder","195267","2020-10-21","18:00:00",""
"7119919","11.217","0.004","11.217","0.004","11.217","0.004","90","","90","","90","","1411.3","0.9","293","2","293","2","","","","","","","","5","F m -3 m","-F 4 2 3","225","","","","- C7 H6 Co N7 Sr -","- C6 Co N7.9992 Sr -","- C24 Co4 N31.9968 Sr4 -","4","0.0208333","","Liu, Yu-Ling; Zhang, Wen","Dual stimuli-triggered dielectric switching and sensing in a host-guest cyanometallate framework","Chem. Commun.","2017","","","","","10.1039/C7CC00812K","","","0.71073","MoKα","","0.0139","0.0139","","","0.0335","0.0335","","","","","","1.242","","","","has coordinates","195267","2020-10-21","18:00:00",""
"7119920","11.4519","0.0006","8.5831","0.0004","13.3683","0.0006","90","","113","0.002","90","","1209.55","0.1","112","2","112","2","","","","","","","","6","P 1 2/c 1","-P 2yc","13","JA-ii-32","","","- C20 H40 Cl N Os P2 -","- C20 H40 Cl N Os P2 -","- C40 H80 Cl2 N2 Os2 P4 -","2","0.5","","Abbenseth, Josh; Diefenbach, Martin; Bete, Sarah C.; Würtele, Christian; Volkmann, Christian; Demeshko, Serhiy; Holthausen, Max C.; Schneider, Sven","A Square-Planar Osmium(II) Complex","Chem. Commun.","2017","","","","","10.1039/C7CC01569K","","","0.71073","MoKα","","0.0269","0.0161","","","0.0301","0.0329","","","","","","1.122","","","","has coordinates","195268","2020-10-21","18:00:00",""
"7119921","16.8714","0.0006","16.9302","0.0007","17.1112","0.0006","90","","90","","90","","4887.6","0.3","102","2","102","2","","","","","","","","6","P n m a","-P 2ac 2n","62","JA-i-10","","","- C20 H40 Cl2 N Os P2 -","- C20 H40 Cl2 N Os P2 -","- C160 H320 Cl16 N8 Os8 P16 -","8","1","","Abbenseth, Josh; Diefenbach, Martin; Bete, Sarah C.; Würtele, Christian; Volkmann, Christian; Demeshko, Serhiy; Holthausen, Max C.; Schneider, Sven","A Square-Planar Osmium(II) Complex","Chem. Commun.","2017","","","","","10.1039/C7CC01569K","","","0.71073","MoKα","","0.0459","0.0392","","","0.0761","0.0784","","","","","","1.549","","","","has coordinates,has disorder","195268","2020-10-21","18:00:00",""
"7119922","15.2391","0.0007","10.9698","0.0005","16.9742","0.0008","90","","96.832","0.002","90","","2817.4","0.2","100","2","100","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","JA-i-94","","","- C25 H49 Cl N2 Os P2 -","- C25 H49 Cl N2 Os P2 -","- C100 H196 Cl4 N8 Os4 P8 -","4","1","","Abbenseth, Josh; Diefenbach, Martin; Bete, Sarah C.; Würtele, Christian; Volkmann, Christian; Demeshko, Serhiy; Holthausen, Max C.; Schneider, Sven","A Square-Planar Osmium(II) Complex","Chem. Commun.","2017","","","","","10.1039/C7CC01569K","","","0.71073","MoKα","","0.0349","0.029","","","0.0755","0.0797","","","","","","1.067","","","","has coordinates","195268","2020-10-21","18:00:00",""
"7119923","12.0393","0.0007","12.0393","0.0007","8.5145","0.0005","90","","90","","90","","1234.13","0.12","100","2","100","2","","","","","","","","7","I 4","I 4","79","JA-ii-81","","","- C21 H40 Cl N O Os P2 -","- C21 H40 Cl N O Os P2 -","- C42 H80 Cl2 N2 O2 Os2 P4 -","2","0.25","","Abbenseth, Josh; Diefenbach, Martin; Bete, Sarah C.; Würtele, Christian; Volkmann, Christian; Demeshko, Serhiy; Holthausen, Max C.; Schneider, Sven","A Square-Planar Osmium(II) Complex","Chem. Commun.","2017","","","","","10.1039/C7CC01569K","","","0.71073","MoKα","","0.052","0.0355","","","0.0641","0.0685","","","","","","1.066","","","","has coordinates,has disorder","195268","2020-10-21","18:00:00",""
"7119924","14.5214","0.0006","26.532","0.0011","12.0175","0.0005","90","","90","","90","","4630.1","0.3","296.02","","296.02","","","","","","","","","5","I b a 2","I 2 -2c","45","","","","- C12 H32 Br4 Mn N2 -","- C12 H32 Br4 Mn N2 -","- C96 H256 Br32 Mn8 N16 -","8","1","","Jiang, Chunli; Zhong, Ni; Luo, Chunhua; Lin, Hechun; Zhang, Yuanyuan; Peng, Hui; Duan, Chun-Gang","(Diisopropylammonium)2MnBr4: A Multifunctional Ferroelectric with Efficient Green-emission and Excellent Gas Sensing Property","Chem. Commun.","2017","","","","","10.1039/C7CC01107E","","","1.54178","CuKα","","0.0541","0.0513","","","0.1413","0.1446","","","","","","1.034","","","","has coordinates","195269","2020-10-21","18:00:00",""
"7119925","26.981","0.001","8.9547","0.0004","23.4725","0.0008","90","","92.653","0.003","90","","5665","0.4","100","2","100","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C28 H49 Fe N4 -","- C28 H49 Fe N4 -","- C224 H392 Fe8 N32 -","8","1","","Reiners, Matthias; Baabe, Dirk; Zaretzke, Marc-Kevin; Freytag, Matthias; Walter, Marc D.","Reversible dinitrogen binding to [Cp′Fe(NHC)] associated with an N2-induced spin state change","Chem. Commun.","2017","","","","","10.1039/C7CC01535F","","","0.71073","MoKα","","0.05","0.0365","","","0.0776","0.0834","","","","","","1.039","","","","has coordinates","195318","2020-10-21","18:00:00",""
"7119926","9.4338","0.0002","32.7254","0.0008","9.2738","0.0002","90","","106.186","0.002","90","","2749.57","0.11","100","2","100","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C28 H49 Fe N2 -","- C28 H49 Fe N2 -","- C112 H196 Fe4 N8 -","4","1","","Reiners, Matthias; Baabe, Dirk; Zaretzke, Marc-Kevin; Freytag, Matthias; Walter, Marc D.","Reversible dinitrogen binding to [Cp′Fe(NHC)] associated with an N2-induced spin state change","Chem. Commun.","2017","","","","","10.1039/C7CC01535F","","","1.54184","CuKα","","0.0822","0.0769","","","0.19","0.1944","","","","","","1.024","","","","has coordinates","195318","2020-10-21","18:00:00",""
"7119927","8.7183","0.0013","18.007","0.002","9.5051","0.0011","90","","106.811","0.008","90","","1428.4","0.3","100","2","100","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C32 H31 F3 N2 O2 -","- C32 H31 F3 N2 O2 -","- C64 H62 F6 N4 O4 -","2","1","","Tinsley, Ian C.; Spaniol, Jacqueline M.; Wheeler, Kraig A.","Mapping the structural boundaries of quasiracemate fractional crystallization using 2-substituted diarylamides.","Chemical communications (Cambridge, England)","2017","53","33","4601","4604","10.1039/c7cc01638g","","","1.54178","CuKα","","0.0712","0.0515","","","0.1446","0.1662","","","","","","1.073","","","","has coordinates","196272","2020-10-21","18:00:00",""
"7119928","8.2953","0.0005","9.5761","0.0005","17.2423","0.0009","90","","101.342","0.003","90","","1342.92","0.13","100","2","100","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C30 H28 Br N3 O4 -","- C30 H28 Br N3 O4 -","- C60 H56 Br2 N6 O8 -","2","1","","Tinsley, Ian C.; Spaniol, Jacqueline M.; Wheeler, Kraig A.","Mapping the structural boundaries of quasiracemate fractional crystallization using 2-substituted diarylamides.","Chemical communications (Cambridge, England)","2017","53","33","4601","4604","10.1039/c7cc01638g","","","1.54178","CuKα","","0.0967","0.0737","","","0.1536","0.1652","","","","","","1.088","","","","has coordinates","196272","2020-10-21","18:00:00",""
"7119929","5.8757","0.001","14.464","0.002","15.887","0.003","90","","90","","90","","1350.2","0.4","100","2","100","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","(S)-N-(2-Methoxybenzoyl)methylbenzylamine","","- C16 H17 N O2 -","- C16 H17 N O2 -","- C64 H68 N4 O8 -","4","1","","Tinsley, Ian C.; Spaniol, Jacqueline M.; Wheeler, Kraig A.","Mapping the structural boundaries of quasiracemate fractional crystallization using 2-substituted diarylamides.","Chemical communications (Cambridge, England)","2017","53","33","4601","4604","10.1039/c7cc01638g","","","1.54178","CuKα","","0.0435","0.0371","","","0.0852","0.0893","","","","","","1.06","","","","has coordinates","196272","2020-10-21","18:00:00",""
"7119930","9.4943","0.0002","16.1705","0.0004","18.3454","0.0005","90","","90","","90","","2816.52","0.12","100","2","100","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C31 H28 F3 I N2 O2 -","- C31 H28 F3 I N2 O2 -","- C124 H112 F12 I4 N8 O8 -","4","1","","Tinsley, Ian C.; Spaniol, Jacqueline M.; Wheeler, Kraig A.","Mapping the structural boundaries of quasiracemate fractional crystallization using 2-substituted diarylamides.","Chemical communications (Cambridge, England)","2017","53","33","4601","4604","10.1039/c7cc01638g","","","1.54178","CuKα","","0.0328","0.0277","","","0.0582","0.0612","","","","","","1.004","","","","has coordinates","196272","2020-10-21","18:00:00",""
"7119931","5.354","0.0002","8.3824","0.0004","13.8585","0.0007","96.477","0.003","93.829","0.003","105.841","0.003","591.42","0.05","100","2","100","2","","","","","","","","5","P 1","P 1","1","","","","- C30 H29 F N2 O2 -","- C30 H29 F N2 O2 -","- C30 H29 F N2 O2 -","1","1","","Tinsley, Ian C.; Spaniol, Jacqueline M.; Wheeler, Kraig A.","Mapping the structural boundaries of quasiracemate fractional crystallization using 2-substituted diarylamides.","Chemical communications (Cambridge, England)","2017","53","33","4601","4604","10.1039/c7cc01638g","","","1.54178","CuKα","","0.0946","0.0668","","","0.1661","","","","","","","1.049","","","","has coordinates,has disorder","196272","2020-10-21","18:00:00",""
"7119932","8.3035","0.0014","9.6853","0.0013","17.333","0.003","90","","101.057","0.009","90","","1368.1","0.4","100","2","100","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C31 H28 F3 N3 O4 -","- C15.5 H14 F1.5 N1.5 O2 -","- C62 H56 F6 N6 O8 -","4","2","","Tinsley, Ian C.; Spaniol, Jacqueline M.; Wheeler, Kraig A.","Mapping the structural boundaries of quasiracemate fractional crystallization using 2-substituted diarylamides.","Chemical communications (Cambridge, England)","2017","53","33","4601","4604","10.1039/c7cc01638g","","","1.54178","CuKα","","0.0787","0.0616","","","0.1599","0.1708","","","","","","1.061","","","","has coordinates","196272","2020-10-21","18:00:00",""
"7119933","11.2812","0.0004","14.038","0.0005","18.1066","0.0005","89.495","0.002","82.741","0.002","73.516","0.003","2726.47","0.16","150.02","0.11","150.02","0.11","","","","","","","","7","P -1","-P 1","2","[Eu(BTrzPhen)2](OTf)3","aqua-bis(2,9-bis(1-(2-hydroxyethyl)-1H-1,2,3-triazol-4-yl)-1,10-phenanthroline)-europium(III) di(trifluoromethanesulfonate) monohydrat","","- C42 H40 Eu F6 N16 O12 S2 -","- C42 H40 Eu F6 N16 O12 S2 -","- C84 H80 Eu2 F12 N32 O24 S4 -","2","1","","Edwards, Alyn C.; Mocilac, Pavle; Geist, Andreas; Harwood, Laurence M.; Sharrad, Clint A.; Burton, Neil A.; Whitehead, Roger C.; Denecke, Melissa A.","Hydrophilic 2,9-bis-triazolyl-1,10-phenanthroline ligands enable selective Am(iii) separation: a step further towards sustainable nuclear energy.","Chemical communications (Cambridge, England)","2017","53","36","5001","5004","10.1039/c7cc01855j","","","0.71073","MoKα","","0.0744","0.0574","","","0.1282","0.1365","","","","","","1.059","","","","has coordinates,has disorder","196291","2020-10-21","18:00:00",""
"7119934","14.9364","0.0003","7.6637","0.0002","18.4671","0.0004","90","","97.593","0.001","90","","2095.36","0.08","100","","100","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C46 H62 O6 S2 -","- C46 H62 O6 S2 -","- C92 H124 O12 S4 -","2","0.5","","Khambhati, D. P.; Sachinthani, K. A. N.; Rheingold, A. L.; Nelson, T. L.","Regioselective copper-catalyzed direct arylation of benzodithiophene-S,S-tetraoxide.","Chemical communications (Cambridge, England)","2017","53","37","5107","5109","10.1039/c7cc01781b","","","1.54178","CuKα","","0.0452","0.0392","","","0.0943","0.0975","","","","","","1.068","","","","has coordinates","196267","2020-10-21","18:00:00",""
"7119935","25.909","0.005","26.983","0.005","13.028","0.002","90","","90","","90","","9108","3","153","2","153","2","","","","","","","","5","P c c n","-P 2ab 2ac","56","","","","- C96 H128 Br6 N64 O61 -","- C96 H120 Br6 N64 O61 -","- C192 H240 Br12 N128 O122 -","2","0.25","","Wang, Pinpin; Wu, Yunlong; Zhao, Yanxia; Yu, Yang; Zhang, Mingming; Cao, Liping","Crystalline nanotubular framework constructed by cucurbit[8]uril for selective CO2 adsorption","Chem. Commun.","2017","","","","","10.1039/C7CC02074K","","","0.71073","MoKα","","0.1358","0.1198","","","0.261","0.2696","","","","","","1.126","","","","has coordinates","195322","2020-10-21","18:00:00",""
"7119936","71.25","0.03","10.283","0.004","20.132","0.008","90","","91.821","0.003","90","","14743","10","100","","100","","","","","","","","see text","7","C 1 2/c 1","-C 2yc","15","","","","- C152 H172 Co4 F24 N32 O5 P4 -","- C152 H172 Co4 F24 N32 O5 P4 -","- C608 H688 Co16 F96 N128 O20 P16 -","4","0.5","","Kaspar, Manuel; Altmann, Philipp Johannes; Pöthig, Alexander; Sproules, Stephen; Hess, Corinna R.","A macrocyclic ‛Co0’ complex: the relevance of ligand non-innocence to reactivity","Chem. Commun.","2017","","","","","10.1039/C7CC02239E","","x-ray","0.71073","MoKα","","0.0909","0.0594","","","0.1281","0.1425","","","","","","1.057","","","","has coordinates,has disorder","211179","2020-10-21","18:00:00",""
"7119937","12.6857","0.0008","14.0773","0.001","21.3596","0.0013","90","","99.336","0.002","90","","3763.9","0.4","100","","100","","","","","","","","see text","6","P 1 21/c 1","-P 2ybc","14","","","","- C74 H86 Co2 N16 Na2 O2 -","- C74 H86 Co2 N16 Na2 O2 -","- C148 H172 Co4 N32 Na4 O4 -","2","0.5","","Kaspar, Manuel; Altmann, Philipp Johannes; Pöthig, Alexander; Sproules, Stephen; Hess, Corinna R.","A macrocyclic ‛Co0’ complex: the relevance of ligand non-innocence to reactivity","Chem. Commun.","2017","","","","","10.1039/C7CC02239E","","x-ray","0.71073","MoKα","","0.0747","0.0643","","","0.164","0.1697","","","","","","1.137","","","","has coordinates,has disorder","195334","2020-10-21","18:00:00",""
"7119938","5.1466","0.0002","22.4076","0.0009","25.6853","0.0018","90","","90","","90","","2962.1","0.3","293","","293","","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C29 H34 F2 N6 O6 -","- C29 H34 F2 N6 O6 -","- C116 H136 F8 N24 O24 -","4","1","","Mamone, M.; Gonçalves, R S B; Blanchard, F.; Bernadat, G.; Ongeri, S.; Milcent, T.; Crousse, B.","N-Difluoromethyl-triazole as a constrained scaffold in peptidomimetics.","Chemical communications (Cambridge, England)","2017","53","36","5024","5027","10.1039/c7cc01298e","","","1.54178","CuKα","","0.1229","0.0485","","","0.0959","0.1397","","","","","","0.988","","","","has coordinates","196290","2020-10-21","18:00:00",""
"7119939","14.8944","0.0004","9.8978","0.0003","32.5727","0.0007","90","","90","","90","","4801.9","0.2","100","2","100","2","","","","","","","","6","P b c n","-P 2n 2ab","60","dipyrihexaphyrin uranyl","dipyriamethyrin uranyl complex","","- C56 H46 F10 N6 O2 U -","- C56 H46 F10 N6 O2 U -","- C224 H184 F40 N24 O8 U4 -","4","0.5","","Brewster, James T.; He, Qing; Anguera, Gonzalo; Moore, Matthew D.; Ke, Xian-Sheng; Lynch, Vincent M.; Sessler, Jonathan L.","Synthesis and characterization of a dipyriamethyrin-uranyl complex.","Chemical communications (Cambridge, England)","2017","53","36","4981","4984","10.1039/c7cc01674c","","","1.54184","CuKα","","0.047","0.0375","","","0.0883","0.0947","","","","","","1.1","","","","has coordinates","196293","2020-10-21","18:00:00",""
"7119940","8.5433","0.0005","18.7105","0.001","19.0289","0.0013","68.396","0.006","82.032","0.005","77.23","0.005","2752.6","0.3","100","2","100","2","","","","","","","","5","P -1","-P 1","2","dipyrihexaphyrin","dipyriamethyrin","","- C58 H52 Cl4 F10 N6 -","- C58 H52 Cl4 F10 N6 -","- C116 H104 Cl8 F20 N12 -","2","1","","Brewster, James T.; He, Qing; Anguera, Gonzalo; Moore, Matthew D.; Ke, Xian-Sheng; Lynch, Vincent M.; Sessler, Jonathan L.","Synthesis and characterization of a dipyriamethyrin-uranyl complex.","Chemical communications (Cambridge, England)","2017","53","36","4981","4984","10.1039/c7cc01674c","","","1.54184","CuKα","","0.1425","0.0969","","","0.2278","0.2604","","","","","","1.027","","","","has coordinates","196293","2020-10-21","18:00:00",""
"7119941","13.6143","0.0005","15.9636","0.0006","17.0731","0.0012","110.894","0.005","105.094","0.004","98.427","0.003","3226.9","0.3","104.9","","104.9","","","","","","","","","6","P -1","-P 1","2","","","","- C10 H22 Cr2 K6 Mo12 O63 -","- C10 H22 Cr2 K6 Mo12 O63 -","- C20 H44 Cr4 K12 Mo24 O126 -","2","1","","Hao, Jian; Wei, Yongge; Xu, Qinghong; Yuan, Shanshan; Zhu, Li","Synthesis of novel bis(Triol)-functionalized Anderson clusters serving as potential synthons for forming organic-inorganic hybrid chains on purpose","Chem. Commun.","2017","","","","","10.1039/C7CC01971H","","","0.7107","MoKα","","0.1101","0.065","","","0.1336","0.1579","","","","","","1.023","","","","has coordinates,has disorder","195395","2020-10-21","18:00:00",""
"7119942","27.1536","0.0016","24.959","0.0009","13.8885","0.0008","90","","90","","90","","9412.6","0.8","105.9","","105.9","","","","","","","","","6","P n m a","-P 2ac 2n","62","","","","- C58 H134 Cr Mo6 N3 O30 -","- C59 H134 Cr Mo6 N3 O30 -","- C236 H536 Cr4 Mo24 N12 O120 -","4","0.5","","Hao, Jian; Wei, Yongge; Xu, Qinghong; Yuan, Shanshan; Zhu, Li","Synthesis of novel bis(Triol)-functionalized Anderson clusters serving as potential synthons for forming organic-inorganic hybrid chains on purpose","Chem. Commun.","2017","","","","","10.1039/C7CC01971H","","","0.7107","MoKα","","0.1644","0.1229","","","0.2985","0.3233","","","","","","1.062","","","","has coordinates,has disorder","195395","2020-10-21","18:00:00",""
"7119943","27.6934","0.0006","13.7969","0.0003","24.7992","0.0005","90","","92.869","0.002","90","","9463.5","0.3","103.7","","103.7","","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C71 H153 Mn Mo6 N4 O33 -","- C71 H153 Mn Mo6 N4 O33 -","- C284 H612 Mn4 Mo24 N16 O132 -","4","1","","Hao, Jian; Wei, Yongge; Xu, Qinghong; Yuan, Shanshan; Zhu, Li","Synthesis of novel bis(Triol)-functionalized Anderson clusters serving as potential synthons for forming organic-inorganic hybrid chains on purpose","Chem. Commun.","2017","","","","","10.1039/C7CC01971H","","","0.7107","MoKα","","0.0988","0.0777","","","0.1772","0.19","","","","","","1.148","","","","has coordinates,has disorder","195395","2020-10-21","18:00:00",""
"7119944","24.6313","0.0005","43.4932","0.0013","14.5597","0.0003","90","","90","","90","","15597.7","0.6","107.7","","107.7","","","","","","","","","6","P n m a","-P 2ac 2n","62","","","","- C51.88 H118.72 Cr Mo6 N4.96 O27.46 -","- C51.88 H119.72 Cr Mo6 N4.96 O27.46 -","- C415.04 H957.76 Cr8 Mo48 N39.68 O219.68 -","8","1","","Hao, Jian; Wei, Yongge; Xu, Qinghong; Yuan, Shanshan; Zhu, Li","Synthesis of novel bis(Triol)-functionalized Anderson clusters serving as potential synthons for forming organic-inorganic hybrid chains on purpose","Chem. Commun.","2017","","","","","10.1039/C7CC01971H","","","1.5418","CuKα","","0.1268","0.1065","","","0.2686","0.2835","","","","","","1.091","","","","has coordinates,has disorder","195395","2020-10-21","18:00:00",""
"7119945","8.5964","0.0002","9.7097","0.0002","11.6415","0.0003","94.704","0.001","111.769","0.002","91.394","0.001","897.79","0.04","173","2","173","2","","","","","","","","6","P -1","-P 1","2","","","","- C44 H32 Br2 N2 O4 S2 -","- C44 H32 Br2 N2 O4 S2 -","- C44 H32 Br2 N2 O4 S2 -","1","0.5","","Khorasani, S.; Fernandes, M. A.","A synthetic co-crystal prepared by cooperative single-crystal-to-single-crystal solid-state Diels-Alder reaction.","Chemical communications (Cambridge, England)","2017","53","36","4969","4972","10.1039/c6cc07628a","","","0.71073","MoKα","","0.0538","0.0428","","","0.1196","0.1284","","","","","","1.039","","","","has coordinates,has disorder","196294","2020-10-21","18:00:00",""
"7119946","8.6797","0.0002","9.6861","0.0002","11.3175","0.0002","93.296","0.001","109.136","0.001","92.301","0.001","895.67","0.03","173","2","173","2","","","","","","","","6","P -1","-P 1","2","","","","- C44 H32 Br2 N2 O4 S2 -","- C44 H32 Br2 N2 O4 S2 -","- C44 H32 Br2 N2 O4 S2 -","1","0.5","","Khorasani, S.; Fernandes, M. A.","A synthetic co-crystal prepared by cooperative single-crystal-to-single-crystal solid-state Diels-Alder reaction.","Chemical communications (Cambridge, England)","2017","53","36","4969","4972","10.1039/c6cc07628a","","","0.71073","MoKα","","0.0519","0.0333","","","0.0786","0.0832","","","","","","0.956","","","","has coordinates","196294","2020-10-21","18:00:00",""
"7119947","8.5964","0.0002","9.7099","0.0002","11.6456","0.0003","94.705","0.001","111.845","0.002","91.391","0.001","897.64","0.04","173","2","173","2","","","","","","","","6","P -1","-P 1","2","","","","- C44 H32 Br2 N2 O4 S2 -","- C44 H32 Br2 N2 O4 S2 -","- C44 H32 Br2 N2 O4 S2 -","1","0.5","","Khorasani, S.; Fernandes, M. A.","A synthetic co-crystal prepared by cooperative single-crystal-to-single-crystal solid-state Diels-Alder reaction.","Chemical communications (Cambridge, England)","2017","53","36","4969","4972","10.1039/c6cc07628a","","","0.71073","MoKα","","0.0541","0.043","","","0.1202","0.1296","","","","","","1.064","","","","has coordinates,has disorder","196294","2020-10-21","18:00:00",""
"7119948","8.5989","0.0002","9.7109","0.0003","11.6303","0.0003","94.667","0.001","111.698","0.002","91.429","0.001","897.77","0.04","173","2","173","2","","","","","","","","6","P -1","-P 1","2","","","","- C44 H32 Br2 N2 O4 S2 -","- C44 H32 Br2 N2 O4 S2 -","- C44 H32 Br2 N2 O4 S2 -","1","0.5","","Khorasani, S.; Fernandes, M. A.","A synthetic co-crystal prepared by cooperative single-crystal-to-single-crystal solid-state Diels-Alder reaction.","Chemical communications (Cambridge, England)","2017","53","36","4969","4972","10.1039/c6cc07628a","","","0.71073","MoKα","","0.0528","0.044","","","0.1232","0.1312","","","","","","1.053","","","","has coordinates,has disorder","196294","2020-10-21","18:00:00",""
"7119949","8.616","0.0003","9.6963","0.0004","11.5069","0.0004","94.172","0.003","110.426","0.002","91.735","0.002","896.9","0.06","173","2","173","2","","","","","","","","6","P -1","-P 1","2","","","","- C44 H32 Br2 N2 O4 S2 -","- C44 H32 Br2 N2 O4 S2 -","- C44 H32 Br2 N2 O4 S2 -","1","0.5","","Khorasani, S.; Fernandes, M. A.","A synthetic co-crystal prepared by cooperative single-crystal-to-single-crystal solid-state Diels-Alder reaction.","Chemical communications (Cambridge, England)","2017","53","36","4969","4972","10.1039/c6cc07628a","","","0.71073","MoKα","","0.0626","0.0513","","","0.1143","0.1234","","","","","","1.127","","","","has coordinates,has disorder","196294","2020-10-21","18:00:00",""
"7119950","11.5732","0.0006","12.7765","0.0007","13.1918","0.0007","97.696","0.002","108.46","0.002","99.643","0.002","1787.27","0.17","173","2","173","2","","","","","","","","6","P -1","-P 1","2","","","","- C44 H32 Br2 N2 O4 S2 -","- C44 H32 Br2 N2 O4 S2 -","- C88 H64 Br4 N4 O8 S4 -","2","1","","Khorasani, S.; Fernandes, M. A.","A synthetic co-crystal prepared by cooperative single-crystal-to-single-crystal solid-state Diels-Alder reaction.","Chemical communications (Cambridge, England)","2017","53","36","4969","4972","10.1039/c6cc07628a","","","0.71073","MoKα","","0.0847","0.0569","","","0.1333","0.1457","","","","","","1.084","","","","has coordinates,has disorder","196294","2020-10-21","18:00:00",""
"7119951","8.6501","0.0004","9.691","0.0004","11.4533","0.0005","93.968","0.003","109.971","0.003","91.879","0.002","898.58","0.07","173","2","173","2","","","","","","","","6","P -1","-P 1","2","","","","- C44 H32 Br2 N2 O4 S2 -","- C44 H32 Br2 N2 O4 S2 -","- C44 H32 Br2 N2 O4 S2 -","1","0.5","","Khorasani, S.; Fernandes, M. A.","A synthetic co-crystal prepared by cooperative single-crystal-to-single-crystal solid-state Diels-Alder reaction.","Chemical communications (Cambridge, England)","2017","53","36","4969","4972","10.1039/c6cc07628a","","","0.71073","MoKα","","0.0831","0.0695","","","0.1344","0.1417","","","","","","1.219","","","","has coordinates,has disorder","196294","2020-10-21","18:00:00",""
"7119952","9.6864","0.0005","8.4793","0.0005","31.9276","0.0018","90","","96.433","0.004","90","","2605.8","0.3","173","2","173","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C30 H23 Br N2 O4 S2 -","- C30 H23 Br N2 O4 S2 -","- C120 H92 Br4 N8 O16 S8 -","4","1","","Khorasani, S.; Fernandes, M. A.","A synthetic co-crystal prepared by cooperative single-crystal-to-single-crystal solid-state Diels-Alder reaction.","Chemical communications (Cambridge, England)","2017","53","36","4969","4972","10.1039/c6cc07628a","","","0.71073","MoKα","","0.0813","0.0483","","","0.1084","0.1171","","","","","","0.93","","","","has coordinates,has disorder","196294","2020-10-21","18:00:00",""
"7119953","8.5906","0.0002","9.7077","0.0002","11.6448","0.0003","94.709","0.001","111.858","0.002","91.399","0.001","896.67","0.04","173","2","173","2","","","","","","","","6","P -1","-P 1","2","","","","- C44 H32 Br2 N2 O4 S2 -","- C44 H32 Br2 N2 O4 S2 -","- C44 H32 Br2 N2 O4 S2 -","1","0.5","","Khorasani, S.; Fernandes, M. A.","A synthetic co-crystal prepared by cooperative single-crystal-to-single-crystal solid-state Diels-Alder reaction.","Chemical communications (Cambridge, England)","2017","53","36","4969","4972","10.1039/c6cc07628a","","","0.71073","MoKα","","0.0534","0.0426","","","0.1209","0.1302","","","","","","1.046","","","","has coordinates,has disorder","196294","2020-10-21","18:00:00",""
"7119954","8.5997","0.0002","9.7097","0.0002","11.6134","0.0003","94.602","0.001","111.523","0.002","91.472","0.001","897.61","0.04","173","2","173","2","","","","","","","","6","P -1","-P 1","2","","","","- C44 H32 Br2 N2 O4 S2 -","- C44 H32 Br2 N2 O4 S2 -","- C44 H32 Br2 N2 O4 S2 -","1","0.5","","Khorasani, S.; Fernandes, M. A.","A synthetic co-crystal prepared by cooperative single-crystal-to-single-crystal solid-state Diels-Alder reaction.","Chemical communications (Cambridge, England)","2017","53","36","4969","4972","10.1039/c6cc07628a","","","0.71073","MoKα","","0.0545","0.0434","","","0.1193","0.1276","","","","","","1.031","","","","has coordinates,has disorder","196294","2020-10-21","18:00:00",""
"7119955","8.6159","0.0003","9.7052","0.0003","11.5522","0.0004","94.355","0.003","110.91","0.002","91.578","0.002","898.21","0.05","173","2","173","2","","","","","","","","6","P -1","-P 1","2","","","","- C44 H32 Br2 N2 O4 S2 -","- C44 H32 Br2 N2 O4 S2 -","- C44 H32 Br2 N2 O4 S2 -","1","0.5","","Khorasani, S.; Fernandes, M. A.","A synthetic co-crystal prepared by cooperative single-crystal-to-single-crystal solid-state Diels-Alder reaction.","Chemical communications (Cambridge, England)","2017","53","36","4969","4972","10.1039/c6cc07628a","","","0.71073","MoKα","","0.0561","0.0459","","","0.1233","0.1302","","","","","","1.055","","","","has coordinates,has disorder","196294","2020-10-21","18:00:00",""
"7119956","8.612","0.0003","9.7121","0.0004","11.5828","0.0003","94.47","0.001","111.179","0.002","91.55","0.001","899.02","0.06","173","2","173","2","","","","","","","","6","P -1","-P 1","2","","","","- C44 H32 Br2 N2 O4 S2 -","- C44 H32 Br2 N2 O4 S2 -","- C44 H32 Br2 N2 O4 S2 -","1","0.5","","Khorasani, S.; Fernandes, M. A.","A synthetic co-crystal prepared by cooperative single-crystal-to-single-crystal solid-state Diels-Alder reaction.","Chemical communications (Cambridge, England)","2017","53","36","4969","4972","10.1039/c6cc07628a","","","0.71073","MoKα","","0.055","0.0454","","","0.1239","0.1317","","","","","","1.074","","","","has coordinates,has disorder","196294","2020-10-21","18:00:00",""
"7119957","8.5966","0.0002","9.7095","0.0002","11.6614","0.0002","94.75","0.001","111.998","0.001","91.366","0.001","897.81","0.03","173","2","173","2","","","","","","","","6","P -1","-P 1","2","","","","- C44 H32 Br2 N2 O4 S2 -","- C44 H32 Br2 N2 O4 S2 -","- C44 H32 Br2 N2 O4 S2 -","1","0.5","","Khorasani, S.; Fernandes, M. A.","A synthetic co-crystal prepared by cooperative single-crystal-to-single-crystal solid-state Diels-Alder reaction.","Chemical communications (Cambridge, England)","2017","53","36","4969","4972","10.1039/c6cc07628a","","","0.71073","MoKα","","0.0538","0.0434","","","0.1191","0.1281","","","","","","1.028","","","","has coordinates,has disorder","196294","2020-10-21","18:00:00",""
"7119958","11.5487","0.0005","12.7694","0.0005","13.171","0.0006","97.689","0.002","108.313","0.002","99.485","0.003","1782.67","0.14","173","2","173","2","","","","","","","","6","P -1","-P 1","2","","","","- C44 H32 Br2 N2 O4 S2 -","- C44 H32 Br2 N2 O4 S2 -","- C88 H64 Br4 N4 O8 S4 -","2","1","","Khorasani, S.; Fernandes, M. A.","A synthetic co-crystal prepared by cooperative single-crystal-to-single-crystal solid-state Diels-Alder reaction.","Chemical communications (Cambridge, England)","2017","53","36","4969","4972","10.1039/c6cc07628a","","","0.71073","MoKα","","0.1426","0.0436","","","0.0671","0.0826","","","","","","0.814","","","","has coordinates,has disorder","196294","2020-10-21","18:00:00",""
"7119959","8.5953","0.0003","9.7096","0.0003","11.6335","0.0004","94.661","0.002","111.729","0.002","91.425","0.002","897.34","0.05","173","2","173","2","","","","","","","","6","P -1","-P 1","2","","","","- C44 H32 Br2 N2 O4 S2 -","- C44 H32 Br2 N2 O4 S2 -","- C44 H32 Br2 N2 O4 S2 -","1","0.5","","Khorasani, S.; Fernandes, M. A.","A synthetic co-crystal prepared by cooperative single-crystal-to-single-crystal solid-state Diels-Alder reaction.","Chemical communications (Cambridge, England)","2017","53","36","4969","4972","10.1039/c6cc07628a","","","0.71073","MoKα","","0.0547","0.0431","","","0.1202","0.1283","","","","","","1.041","","","","has coordinates,has disorder","196294","2020-10-21","18:00:00",""
"7119960","8.5791","0.0002","9.7036","0.0003","11.6537","0.0003","94.725","0.002","111.977","0.002","91.443","0.002","894.95","0.04","173","2","173","2","","","","","","","","6","P -1","-P 1","2","","","","- C44 H32 Br2 N2 O4 S2 -","- C44 H32 Br2 N2 O4 S2 -","- C44 H32 Br2 N2 O4 S2 -","1","0.5","","Khorasani, S.; Fernandes, M. A.","A synthetic co-crystal prepared by cooperative single-crystal-to-single-crystal solid-state Diels-Alder reaction.","Chemical communications (Cambridge, England)","2017","53","36","4969","4972","10.1039/c6cc07628a","","","0.71073","MoKα","","0.1092","0.0461","","","0.0882","0.1035","","","","","","0.928","","","","has coordinates,has disorder","196294","2020-10-21","18:00:00",""
"7119961","8.595","0.0002","9.707","0.0003","11.6561","0.0003","94.748","0.001","111.956","0.002","91.375","0.001","897.27","0.04","173","2","173","2","","","","","","","","6","P -1","-P 1","2","","","","- C44 H32 Br2 N2 O4 S2 -","- C44 H32 Br2 N2 O4 S2 -","- C44 H32 Br2 N2 O4 S2 -","1","0.5","","Khorasani, S.; Fernandes, M. A.","A synthetic co-crystal prepared by cooperative single-crystal-to-single-crystal solid-state Diels-Alder reaction.","Chemical communications (Cambridge, England)","2017","53","36","4969","4972","10.1039/c6cc07628a","","","0.71073","MoKα","","0.0538","0.0431","","","0.1183","0.1283","","","","","","1.03","","","","has coordinates,has disorder","196294","2020-10-21","18:00:00",""
"7119962","12.61","0.005","5.974","0.005","12.888","0.005","90","","106.487","0.005","90","","931","0.9","100","","100","","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C21 H17 Br N2 O4 -","- C21 H17 Br N2 O4 -","- C42 H34 Br2 N4 O8 -","2","1","","Rout, Subhrajit; Das, Arko; Singh, Vinod K.","An asymmetric vinylogous Mukaiyama-Michael reaction of α,β-unsaturated 2-acyl imidazoles catalyzed by chiral Sc(iii)- or Er(iii)-pybox complexes.","Chemical communications (Cambridge, England)","2017","53","37","5143","5146","10.1039/c7cc01763d","","","0.71069","MoKα","","0.0273","0.0242","","","0.0551","0.056","","","","","","1.037","","","","has coordinates","196263","2020-10-21","18:00:00",""
"7119963","7.683","0.005","10.196","0.005","19.34","0.005","90","","90","","90","","1515","1.3","100","","100","","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C16 H16 N2 O3 S -","- C16 H16 N2 O3 S -","- C64 H64 N8 O12 S4 -","4","1","","Rout, Subhrajit; Das, Arko; Singh, Vinod K.","An asymmetric vinylogous Mukaiyama-Michael reaction of α,β-unsaturated 2-acyl imidazoles catalyzed by chiral Sc(iii)- or Er(iii)-pybox complexes.","Chemical communications (Cambridge, England)","2017","53","37","5143","5146","10.1039/c7cc01763d","","","0.71069","MoKα","","0.0671","0.0635","","","0.1796","0.1839","","","","","","1.03","","","","has coordinates","196263","2020-10-21","18:00:00",""
"7119964","10.8555","0.0004","12.1442","0.0005","12.5528","0.0005","90","","90","","90","","1654.85","0.11","100","","100","","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C18 H17 Cl N2 O3 -","- C18 H17 Cl N2 O3 -","- C72 H68 Cl4 N8 O12 -","4","1","","Rout, Subhrajit; Das, Arko; Singh, Vinod K.","An asymmetric vinylogous Mukaiyama-Michael reaction of α,β-unsaturated 2-acyl imidazoles catalyzed by chiral Sc(iii)- or Er(iii)-pybox complexes.","Chemical communications (Cambridge, England)","2017","53","37","5143","5146","10.1039/c7cc01763d","","","0.71073","MoKα","","0.0415","0.0349","","","0.0765","0.0789","","","","","","1.053","","","","has coordinates","196263","2020-10-21","18:00:00",""
"7119965","26.2902","0.0008","26.2902","0.0008","45.5256","0.0015","90","","90","","90","","31466.1","1.7","150","2","150","2","","","","","","","","8","I 41/a c d","-I 4bd 2c","142","","","","- C136 H84 Cl4 F12 N44 Ni11 O14 P2 -","- C136 H84 Cl4 F12 N44 Ni11 O14 P2 -","- C1088 H672 Cl32 F96 N352 Ni88 O112 P16 -","8","","","Chen, Po-Jung; Sigrist, Marc; Horng, Er-Chien; Lin, Geng-Min; Lee, Gene-Hsiang; Chen, Chun-Hsien; Peng, Shie-Ming","A ligand design with a modified naphthyridylamide for achieving the longest EMACs: the 1st single-molecule conductance of an undeca-nickel metal string.","Chemical communications (Cambridge, England)","2017","53","34","4673","4676","10.1039/c7cc01831b","","","0.71073","MoKα","","0.1302","0.0865","","","0.2069","0.2384","","","","","","1.091","","","","has coordinates,has disorder","196305","2020-10-21","18:00:00",""
"7119966","16.3756","0.0008","17.1876","0.0008","26.5639","0.0013","74.3715","0.0014","74.7034","0.0014","86.5878","0.0015","6944.6","0.6","150","2","150","2","","","","","","","","6","P -1","-P 1","2","","","","- C131 H102 Cl4 N44 Ni11 O9 -","- C131 H102 Cl4 N44 Ni11 O9 -","- C262 H204 Cl8 N88 Ni22 O18 -","2","1","","Chen, Po-Jung; Sigrist, Marc; Horng, Er-Chien; Lin, Geng-Min; Lee, Gene-Hsiang; Chen, Chun-Hsien; Peng, Shie-Ming","A ligand design with a modified naphthyridylamide for achieving the longest EMACs: the 1st single-molecule conductance of an undeca-nickel metal string.","Chemical communications (Cambridge, England)","2017","53","34","4673","4676","10.1039/c7cc01831b","","","0.71073","MoKα","","0.1338","0.0672","","","0.187","0.2471","","","","","","1.044","","","","has coordinates,has disorder","196305","2020-10-21","18:00:00",""
"7119967","15.6705","0.0006","20.6824","0.0007","18.4644","0.0007","90","","111.551","0.001","90","","5566","0.4","100","2","100","2","","","","","","","","8","P 1 21/c 1","-P 2ybc","14","","","","- C55 H46 B2 Cl4 F20 N P S -","- C55 H46 B2 Cl4 F20 N P S -","- C220 H184 B8 Cl16 F80 N4 P4 S4 -","4","1","","Kehr, Gerald; Wang, Long; Daniliuc, Constantin Gabriel; Erker, Gerhard; Zhang, Senwang; Hasegawa, Yasuharu","Cooperative Carbon Monoxide to Formyl Reduction at a Trifunctional PBB Frustrated Lewis Pair","Chem. Commun.","2017","","","","","10.1039/C7CC02214J","","","0.71073","MoKα","","0.0445","0.0359","","","0.0888","0.0936","","","","","","1.036","","","","has coordinates","195436","2020-10-21","18:00:00",""
"7119968","11.2486","0.0007","14.9232","0.0009","15.8287","0.0008","63.327","0.002","69.289","0.002","69.458","0.002","2161.4","0.2","101","2","101","2","","","","","","","","7","P -1","-P 1","2","","","","- C42 H40 B2 Cl2 F15 O P -","- C42 H40 B2 Cl2 F15 O P -","- C84 H80 B4 Cl4 F30 O2 P2 -","2","1","","Kehr, Gerald; Wang, Long; Daniliuc, Constantin Gabriel; Erker, Gerhard; Zhang, Senwang; Hasegawa, Yasuharu","Cooperative Carbon Monoxide to Formyl Reduction at a Trifunctional PBB Frustrated Lewis Pair","Chem. Commun.","2017","","","","","10.1039/C7CC02214J","","","0.71073","MoKα","","0.0985","0.0506","","","0.0866","0.1009","","","","","","1.008","","","","has coordinates","195436","2020-10-21","18:00:00",""
"7119969","13.6249","0.0007","17.6508","0.0008","15.8725","0.0008","90","","91.388","0.002","90","","3816.1","0.3","101","2","101","2","","","","","","","","5","P 1 21/m 1","-P 2yb","11","","","","- C40 H38 B2 F15 P -","- C40 H38 B2 F15 P -","- C160 H152 B8 F60 P4 -","4","1","","Kehr, Gerald; Wang, Long; Daniliuc, Constantin Gabriel; Erker, Gerhard; Zhang, Senwang; Hasegawa, Yasuharu","Cooperative Carbon Monoxide to Formyl Reduction at a Trifunctional PBB Frustrated Lewis Pair","Chem. Commun.","2017","","","","","10.1039/C7CC02214J","","","0.71073","MoKα","","0.0642","0.0456","","","0.0944","0.101","","","","","","1.066","","","","has coordinates","195436","2020-10-21","18:00:00",""
"7119970","12.5829","0.0004","13.9854","0.0005","17.6337","0.0006","78.257","0.002","81.65","0.002","71.145","0.002","2864.56","0.17","100","2","100","2","","","","","","","","6","P -1","-P 1","2","","","","- C55 H48 B2 F20 N P -","- C55 H48 B2 F20 N P -","- C110 H96 B4 F40 N2 P2 -","2","1","","Kehr, Gerald; Wang, Long; Daniliuc, Constantin Gabriel; Erker, Gerhard; Zhang, Senwang; Hasegawa, Yasuharu","Cooperative Carbon Monoxide to Formyl Reduction at a Trifunctional PBB Frustrated Lewis Pair","Chem. Commun.","2017","","","","","10.1039/C7CC02214J","","","1.54178","CuKα","","0.0783","0.0521","","","0.1254","0.1351","","","","","","1.024","","","","has coordinates","195436","2020-10-21","18:00:00",""
"7119971","11.9911","0.0002","12.2241","0.0002","20.5637","0.0004","85.022","0.001","80.922","0.001","72.511","0.001","2836.41","0.09","223","2","223","2","","","","","","","","8","P -1","-P 1","2","","","","- C55 H46 B2 Cl4 F20 N O P -","- C55 H46 B2 Cl4 F20 N O P -","- C110 H92 B4 Cl8 F40 N2 O2 P2 -","2","1","","Kehr, Gerald; Wang, Long; Daniliuc, Constantin Gabriel; Erker, Gerhard; Zhang, Senwang; Hasegawa, Yasuharu","Cooperative Carbon Monoxide to Formyl Reduction at a Trifunctional PBB Frustrated Lewis Pair","Chem. Commun.","2017","","","","","10.1039/C7CC02214J","","","0.71073","MoKα","","0.0818","0.0627","","","0.1211","0.1358","","","","","","1.072","","","","has coordinates,has disorder","195436","2020-10-21","18:00:00",""
"7119972","13.2824","0.0002","16.3939","0.0003","23.7894","0.0004","90","","95.038","0.001","90","","5160.14","0.15","223","2","223","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C47 H37 B2 F20 O2 P -","- C47 H37 B2 F20 O2 P -","- C188 H148 B8 F80 O8 P4 -","4","1","","Kehr, Gerald; Wang, Long; Daniliuc, Constantin Gabriel; Erker, Gerhard; Zhang, Senwang; Hasegawa, Yasuharu","Cooperative Carbon Monoxide to Formyl Reduction at a Trifunctional PBB Frustrated Lewis Pair","Chem. Commun.","2017","","","","","10.1039/C7CC02214J","","","0.71073","MoKα","","0.1","0.0703","","","0.1483","0.1622","","","","","","1.065","","","","has coordinates","195436","2020-10-21","18:00:00",""
"7119973","12.6318","0.0006","14.5","0.0007","14.8889","0.0008","62.069","0.002","76.457","0.002","70.196","0.002","2257.5","0.2","100","2","100","2","","","","","","","","7","P -1","-P 1","2","","","","- C46 H37 B2 F20 O2 P S -","- C46 H37 B2 F20 O2 P S -","- C92 H74 B4 F40 O4 P2 S2 -","2","1","","Kehr, Gerald; Wang, Long; Daniliuc, Constantin Gabriel; Erker, Gerhard; Zhang, Senwang; Hasegawa, Yasuharu","Cooperative Carbon Monoxide to Formyl Reduction at a Trifunctional PBB Frustrated Lewis Pair","Chem. Commun.","2017","","","","","10.1039/C7CC02214J","","","0.71073","MoKα","","0.0855","0.0499","","","0.0923","0.1028","","","","","","1.024","","","","has coordinates","195436","2020-10-21","18:00:00",""
"7119974","26.644","0.003","26.644","0.003","27.368","0.003","90","","90","","90","","19429","4","100","","100","2","","","","","","","","6","I -4 2 d","I -4 2bw","122","","","","- C51 H96 Co3 Gd3 N6 O32 -","- C51 H96 Co3 Gd3 N6 O32 -","- C408 H768 Co24 Gd24 N48 O256 -","8","0.5","","Ojea, María José Heras; Lorusso, Giulia; Craig, Gavin A.; Wilson, Claire; Evangelisti, Marco; Murrie, Mark","A topologically unique alternating {CoGd} magnetocaloric ring.","Chemical communications (Cambridge, England)","2017","53","35","4799","4802","10.1039/c7cc02243c","","x-ray","0.71073","MoKα","","0.049","0.0353","","","0.0838","0.0967","","","","","","1.168","","","","has coordinates,has disorder","196298","2020-10-21","18:00:00",""
"7119975","10.5479","0.0011","12.3384","0.0013","16.2391","0.0017","82.196","0.006","72.123","0.005","64.915","0.005","1821.6","0.3","103","2","103","2","","","","","","","","5","P -1","-P 1","2","","","","- C72 H52 N4 O4 S2 -","- C72 H52 N4 O4 S2 -","- C72 H52 N4 O4 S2 -","1","0.5","","Kojima, Mitsuru; Tamoto, Akira; Aratani, Naoki; Yamada, Hiroko","Rearrangement of an aniline linked perylene bisimide under acidic conditions and visible to near-infrared emission from intramolecular charge-transfer state of its fused derivatives","Chem. Commun.","2017","","","","","10.1039/C7CC01520H","","","0.71075","MoKα","","0.2158","0.0911","","","0.1591","0.1938","","","","","","1.001","","","","has coordinates,has disorder","195525","2020-10-21","18:00:00",""
"7119976","10.9335","0.0009","13.6371","0.0012","22.866","0.002","90","","98.801","0.002","90","","3369.2","0.5","90","","90","","","","","","","","","4","P 1 21 1","P 2yb","4","","N,N'-bis(2,6-diisopropylphenyl)-4,13-bis(dimethylamino)- benzo[a,j]coronene-1,8,9,16-tetracarboxylic acid bisimide","","- C64 H56 N4 O4 -","- C64 H56 N4 O4 -","- C128 H112 N8 O8 -","2","1","","Kojima, Mitsuru; Tamoto, Akira; Aratani, Naoki; Yamada, Hiroko","Rearrangement of an aniline linked perylene bisimide under acidic conditions and visible to near-infrared emission from intramolecular charge-transfer state of its fused derivatives","Chem. Commun.","2017","","","","","10.1039/C7CC01520H","","","0.71073","MoKα","","0.119","0.0797","","","0.21","0.2357","","","","","","0.94","","","","has coordinates,has disorder","195525","2020-10-21","18:00:00",""
"7119977","13.981","0.002","9.6424","0.0017","20.807","0.004","90","","90.981","0.004","90","","2804.6","0.8","293","2","293","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C37 H25 N5 -","- C37 H25 N5 -","- C148 H100 N20 -","4","1","","Konar, Sanjit; Mondal, Amit Kumar; Jover, Jesús; Ruiz, Eliseo","Investigation of easy-plane magnetic anisotropy in P-ligand square-pyramidal CoII single ion magnets","Chem. Commun.","2017","","","","","10.1039/C7CC02584J","","","0.71073","MoKα","","0.0789","0.0477","","","0.1293","0.1625","","","","","","1.017","","","","has coordinates","195526","2020-10-21","18:00:00",""
"7119978","20.8286","0.0009","18.639","0.0006","17.8263","0.0006","90","","91.188","0.004","90","","6919.1","0.4","150","2","150","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C59 H37 Cl F4 Ir N7 -","- C59 H37 Cl F4 Ir N7 -","- C236 H148 Cl4 F16 Ir4 N28 -","4","1","","Konar, Sanjit; Mondal, Amit Kumar; Jover, Jesús; Ruiz, Eliseo","Investigation of easy-plane magnetic anisotropy in P-ligand square-pyramidal CoII single ion magnets","Chem. Commun.","2017","","","","","10.1039/C7CC02584J","","","1.54184","CuKα","","0.109","0.0745","","","0.2021","0.2291","","","","","","1.054","","","","has coordinates,has disorder","195526","2020-10-21","18:00:00",""
"7119979","29.4436","0.0011","29.4436","0.0011","54.543","0.004","90","","90","","90","","47285","4","293","2","293","2","","","","","","","","7","I 41/a c d :2","-I 4bd 2c","142","","","","- C72 H124 Mo12 N5 O45 P Zn4 -","- C72 H124 Mo12 N5 O45 P Zn4 -","- C1152 H1984 Mo192 N80 O720 P16 Zn64 -","16","0.5","","Wang, Yuan-Yuan; Zhang, Mi; Li, Shun-Li; Zhang, Shu-Ran; Xie, Wei; Qin, Jun-Sheng; Su, Zhong-Min; Lan, Ya-Qian","Diamondoid-structured polymolybdate-based metal-organic frameworks as high-capacity anodes for lithium-ion batteries.","Chemical communications (Cambridge, England)","2017","53","37","5204","5207","10.1039/c6cc10208e","","","0.71073","MoKα","","0.13","0.075","","","0.2024","0.2348","","","","","","1.059","","","","has coordinates","196264","2020-10-21","18:00:00",""
"7119980","25.686","0.005","31.77","0.005","25.129","0.005","90","0.005","90","0.005","90","0.005","20506","7","293","2","293","2","","","","","","","","7","P b c n","-P 2n 2ab","60","","","","- C120 H236 Mo24 N10 O88 P2 Zn8 -","- C104 H162 Mo24 N9 O88 P2 Zn8 -","- C416 H648 Mo96 N36 O352 P8 Zn32 -","4","0.5","","Wang, Yuan-Yuan; Zhang, Mi; Li, Shun-Li; Zhang, Shu-Ran; Xie, Wei; Qin, Jun-Sheng; Su, Zhong-Min; Lan, Ya-Qian","Diamondoid-structured polymolybdate-based metal-organic frameworks as high-capacity anodes for lithium-ion batteries.","Chemical communications (Cambridge, England)","2017","53","37","5204","5207","10.1039/c6cc10208e","","","0.71069","MoKα","","0.1331","0.0832","","","0.2245","0.2523","","","","","","0.998","","","","has coordinates,has disorder","196264","2020-10-21","18:00:00",""
"7119981","19.09","0.006","7.095","0.002","10.995","0.004","90","","90.304","0.011","90","","1489.2","0.8","296","2","296","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C17 H15 N O3 -","- C17 H15 N O3 -","- C68 H60 N4 O12 -","4","1","","Ding, Dong; Mou, Tao; Xue, Jiahui; Jiang, Xuefeng","Access to Divergent Benzo-Heterocycles via a Catalyst-Dependent Strategy in the Controllable Cyclization of o-Alkynyl-N-methoxyl-benzamides","Chem. Commun.","2017","","","","","10.1039/C7CC01861D","","","0.71073","MoKα","","0.074","0.0414","","","0.0941","0.1129","","","","","","1.02","","","","has coordinates","195528","2020-10-21","18:00:00",""
"7119982","10.0672","0.0006","14.8765","0.0009","9.2489","0.0006","90","","111.386","0.002","90","","1289.78","0.14","296","2","296","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C16 H13 N O2 -","- C16 H13 N O2 -","- C64 H52 N4 O8 -","4","1","","Ding, Dong; Mou, Tao; Xue, Jiahui; Jiang, Xuefeng","Access to Divergent Benzo-Heterocycles via a Catalyst-Dependent Strategy in the Controllable Cyclization of o-Alkynyl-N-methoxyl-benzamides","Chem. Commun.","2017","","","","","10.1039/C7CC01861D","","","0.71073","MoKα","","0.0491","0.0345","","","0.0817","0.0913","","","","","","1.024","","","","has coordinates","195528","2020-10-21","18:00:00",""
"7119983","30.495","0.003","4.1711","0.0004","20.4558","0.0019","90","","102.745","0.003","90","","2537.8","0.4","296","2","296","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C16 H13 N O2 -","- C16 H13 N O2 -","- C128 H104 N8 O16 -","8","1","","Ding, Dong; Mou, Tao; Xue, Jiahui; Jiang, Xuefeng","Access to Divergent Benzo-Heterocycles via a Catalyst-Dependent Strategy in the Controllable Cyclization of o-Alkynyl-N-methoxyl-benzamides","Chem. Commun.","2017","","","","","10.1039/C7CC01861D","","","0.71073","MoKα","","0.0539","0.0342","","","0.0804","0.0919","","","","","","1.052","","","","has coordinates","195528","2020-10-21","18:00:00",""
"7119984","7.801","0.0002","11.7472","0.0003","20.3556","0.0005","75.44","0.002","81.373","0.002","89.986","0.002","1783.68","0.08","296","2","296","2","","","","","","","","4","P 1","P 1","1","","","","- C13 H18 B10 S2 -","- C13 H18 B10 S2 -","- C52 H72 B40 S8 -","4","4","","Quan, Yangjian; Lyu, Hairong; Xie, Zuowei","Dehydrogenative cross-coupling of o-carborane with thiophenes via Ir-catalyzed regioselective cage B-H and C(sp(2))-H activation.","Chemical communications (Cambridge, England)","2017","53","35","4818","4821","10.1039/c7cc01485f","","","0.71073","MoKα","","0.0907","0.0515","","","0.1168","0.1414","","","","","","1.001","","","","has coordinates","196299","2020-10-21","18:00:00",""
"7119985","11.809","0.0009","13.9475","0.0011","10.4695","0.0008","90","","93.477","0.001","90","","1721.2","0.2","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C22 H14 Cl N O -","- C22 H14 Cl N O -","- C88 H56 Cl4 N4 O4 -","4","1","","Tiwari, Dharmendra Kumar; Tiwari, Dipak Kumar; Mandalaparthi, Phanindrudu; Wakade, Sandip Balasaheb; Nanubolu, Jagadeesh Babu","α,β-Functionalization of Saturated Ketones with Anthranils via Cu-Catalyzed Sequential Dehydrogenation/Aza-Michael Addition/Annulation Cascade Reactions in One-Pot","Chem. Commun.","2017","","","","","10.1039/C7CC01195D","","","0.71073","MoKα","","0.0892","0.0815","","","0.1504","0.1539","","","","","","1.357","","","","has coordinates","195602","2020-10-21","18:00:00",""
"7119986","18.6161","0.001","11.3161","0.0007","21.2379","0.0014","90","","90","","90","","4474","0.5","85","","85","","","","","","","","","7","P c a 21","P 2c -2ac","29","","","","- C43 H56 F6 N5 O4 Rh Sb -","- C43 H56 F6 N5 O4 Rh Sb -","- C172 H224 F24 N20 O16 Rh4 Sb4 -","4","1","","Fujita, Daiki; Sugimoto, Hideki; Shiota, Yoshihito; Morimoto, Yuma; Yoshizawa, Kazunari; Itoh, Shinobu","Catalytic C-H amination driven by intramolecular ligand-to-nitrene one-electron transfer through a rhodium(iii) centre.","Chemical communications (Cambridge, England)","2017","53","35","4849","4852","10.1039/c7cc01840a","","","0.71075","MoKα","","","0.0269","","","","0.0759","","","","","","0.866","","","","has coordinates","196300","2020-10-21","18:00:00",""
"7119987","12.6767","0.0006","17.8148","0.0009","18.2085","0.0007","90","","101.841","0.0013","90","","4024.6","0.3","123","","123","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C40 H60 N3 O5 Rh -","- C40 H60 N3 O5 Rh -","- C160 H240 N12 O20 Rh4 -","4","1","","Fujita, Daiki; Sugimoto, Hideki; Shiota, Yoshihito; Morimoto, Yuma; Yoshizawa, Kazunari; Itoh, Shinobu","Catalytic C-H amination driven by intramolecular ligand-to-nitrene one-electron transfer through a rhodium(iii) centre.","Chemical communications (Cambridge, England)","2017","53","35","4849","4852","10.1039/c7cc01840a","","","0.71075","MoKα","","","0.0465","","","","0.1206","","","","","","1.216","","","","has coordinates","196300","2020-10-21","18:00:00",""
"7119988","12.1457","0.0006","18.9914","0.001","19.1816","0.001","90","","94.029","0.0012","90","","4413.6","0.4","103","","103","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C46 H62 N5 O5 Rh -","- C46 H62 N5 O5 Rh -","- C184 H248 N20 O20 Rh4 -","4","1","","Fujita, Daiki; Sugimoto, Hideki; Shiota, Yoshihito; Morimoto, Yuma; Yoshizawa, Kazunari; Itoh, Shinobu","Catalytic C-H amination driven by intramolecular ligand-to-nitrene one-electron transfer through a rhodium(iii) centre.","Chemical communications (Cambridge, England)","2017","53","35","4849","4852","10.1039/c7cc01840a","","","0.71075","MoKα","","","0.0307","","","","0.0951","","","","","","1.169","","","","has coordinates","196300","2020-10-21","18:00:00",""
"7119989","14.4214","0.001","11.6137","0.0006","16.9862","0.0011","90","","111.966","0.008","90","","2638.4","0.3","293","2","293.15","","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C42 H55 Cl2 N3 O8 -","- C42 H55 Cl2 N3 O8 -","- C84 H110 Cl4 N6 O16 -","2","1","","Zhang, Yanhui; Liu, Rong; Liu, Bo","Total Synthesis of Nannocystin Ax","Chem. Commun.","2017","","","","","10.1039/C7CC00469A","","x-ray","0.71073","MoKα","","0.0881","0.0587","","","0.1578","0.1729","","","","","","0.927","","","","has coordinates,has disorder","195638","2020-10-21","18:00:00",""
"7119990","11.902","0.002","11.629","0.002","10.85","0.002","90","","111.77","0.03","90","","1394.6","0.5","100","","100","","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C4 H8 B La N6 O10 -","- C4 H8 B La N6 O10 -","- C16 H32 B4 La4 N24 O40 -","4","1","","Zottnick, Sven H.; Finze, Maik; Müller-Buschbaum, Klaus","Transformation of the ionic liquid [EMIM][B(CN)4] into anionic and neutral lanthanum tetracyanoborate coordination polymers by ionothermal reactions.","Chemical communications (Cambridge, England)","2017","53","37","5193","5195","10.1039/c7cc01378g","","","0.71073","MoKα","","0.0254","0.0202","","","0.0443","0.046","","","","","","1.034","","","","has coordinates","196262","2020-10-21","18:00:00",""
"7119991","9.561","0.0019","20.688","0.004","16.487","0.003","90","","104.85","0.03","90","","3152.2","1.1","100","","100","","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C18 H17 B3 La N15 O6 -","- C18 H17 B3 La N15 O6 -","- C72 H68 B12 La4 N60 O24 -","4","1","","Zottnick, Sven H.; Finze, Maik; Müller-Buschbaum, Klaus","Transformation of the ionic liquid [EMIM][B(CN)4] into anionic and neutral lanthanum tetracyanoborate coordination polymers by ionothermal reactions.","Chemical communications (Cambridge, England)","2017","53","37","5193","5195","10.1039/c7cc01378g","","","0.71073","MoKα","","0.0392","0.0302","","","0.0704","0.0746","","","","","","1.052","","","","has coordinates","196262","2020-10-21","18:00:00",""
"7119992","10.4862","0.0005","11.7144","0.0005","20.1408","0.0009","90","","102.032","0.003","90","","2419.73","0.19","100","","100","","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C27 H31 B O2 Se -","- C27 H31 B O2 Se -","- C108 H124 B4 O8 Se4 -","4","1","","Armstrong, Roly J.; Sandford, Christopher; García-Ruiz, Cristina; Aggarwal, Varinder K.","Conjunctive functionalization of vinyl boronate complexes with electrophiles: a diastereoselective three-component coupling.","Chemical communications (Cambridge, England)","2017","53","36","4922","4925","10.1039/c7cc01671a","","","0.71073","MoKα","","0.0494","0.0328","","","0.0697","0.0754","","","","","","1.014","","","","has coordinates","196287","2020-10-21","18:00:00",""
"7119993","8.0715","0.0002","8.9946","0.0002","25.1406","0.0006","90","0","98.0371","0.0008","90","0","1807.28","0.07","100","2","100","2","","","","","","","","4","P 1 21 1","P 2yb","4","","(S)-21","","- C21 H16 Cl2 O3 -","- C21 H16 Cl2 O3 -","- C84 H64 Cl8 O12 -","4","2","","Bos, Maxence; Riguet, Emmanuel","Iridium-catalysed asymmetric allylic alkylation of benzofuran γ-lactones followed by heteroaromatic Cope rearrangement: study of an unusual reaction sequence.","Chemical communications (Cambridge, England)","2017","53","36","4997","5000","10.1039/c7cc01529a","","","1.54178","CuKα","","0.025","0.0242","","","0.0584","0.0588","","","","","","1.081","","","","has coordinates","203412","2020-10-21","18:00:00",""
"7119994","9.629","0.005","17.514","0.005","10.738","0.005","90","0","98.23","0.005","90","0","1792.2","1.4","100","2","100","2","","","","","","","","4","P 1 21 1","P 2yb","4","","(R,R)-19","","- C22 H17 Br O3 -","- C22 H17 Br O3 -","- C88 H68 Br4 O12 -","4","2","","Bos, Maxence; Riguet, Emmanuel","Iridium-catalysed asymmetric allylic alkylation of benzofuran γ-lactones followed by heteroaromatic Cope rearrangement: study of an unusual reaction sequence.","Chemical communications (Cambridge, England)","2017","53","36","4997","5000","10.1039/c7cc01529a","","","1.54178","CuKα","","0.0268","0.0255","","","0.0537","0.0544","","","","","","1.085","","","","has coordinates","203412","2020-10-21","18:00:00",""
"7119995","8.43","0.005","14.204","0.005","14.905","0.005","90","0","90","0","90","0","1784.7","1.4","100","2","100","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","(S)-3-(benzofuran-2-yl)-3-((S)-1-(2,4-dichlorophenyl)allyl)dihydrofuran-2(3H)-one","","- C21 H16 Cl2 O3 -","- C21 H16 Cl2 O3 -","- C84 H64 Cl8 O12 -","4","1","","Bos, Maxence; Riguet, Emmanuel","Iridium-catalysed asymmetric allylic alkylation of benzofuran γ-lactones followed by heteroaromatic Cope rearrangement: study of an unusual reaction sequence.","Chemical communications (Cambridge, England)","2017","53","36","4997","5000","10.1039/c7cc01529a","","","1.54178","CuKα","","0.0246","0.0237","","","0.0562","0.0566","","","","","","1.066","","","","has coordinates","196289","2020-10-21","18:00:00",""
"7119996","8.298","0.0002","10.5377","0.0003","21.5903","0.0006","90","","90","","90","","1887.9","0.09","100","2","100","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","22","","- C21 H20 Cl2 O3 -","- C21 H20 Cl2 O3 -","- C84 H80 Cl8 O12 -","4","1","","Bos, Maxence; Riguet, Emmanuel","Iridium-catalysed asymmetric allylic alkylation of benzofuran γ-lactones followed by heteroaromatic Cope rearrangement: study of an unusual reaction sequence.","Chemical communications (Cambridge, England)","2017","53","36","4997","5000","10.1039/c7cc01529a","","","1.54178","CuKα","","0.0209","0.0204","","","0.0529","0.0533","","","","","","1.065","","","","has coordinates","196289","2020-10-21","18:00:00",""
"7119997","10.3925","0.0015","16.372","0.002","16.948","0.003","93.428","0.005","100.442","0.004","98.703","0.004","2791.9","0.7","100","","100","","","","","","","","","6","P -1","-P 1","2","","","","- C58 H76 Na2 O8 P2 Zr2 -","- C58 H76 Na2 O8 P2 Zr2 -","- C116 H152 Na4 O16 P4 Zr4 -","2","1","","Kieser, Jerod M.; Gilliard, Jr, Robert J; Rheingold, Arnold L.; Grützmacher, Hansjörg; Protasiewicz, John D.","Insertion of sodium phosphaethynolate, Na[OCP], into a zirconium-benzyne complex.","Chemical communications (Cambridge, England)","2017","53","37","5110","5112","10.1039/c7cc01482a","","","0.71073","MoKα","","0.0847","0.0596","","","0.1531","0.1745","","","","","","1.098","","","","has coordinates","287753","2023-11-23","09:34:45",""
"7119998","10.6157","0.0018","17.277","0.002","10.7644","0.0016","90","","105.752","0.005","90","","1900.1","0.5","100","","100","","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C40 H46 O2 P2 Si2 Zr2 -","- C40 H46 O2 P2 Si2 Zr2 -","- C80 H92 O4 P4 Si4 Zr4 -","2","0.5","","Kieser, Jerod M.; Gilliard, Jr, Robert J; Rheingold, Arnold L.; Grützmacher, Hansjörg; Protasiewicz, John D.","Insertion of sodium phosphaethynolate, Na[OCP], into a zirconium-benzyne complex.","Chemical communications (Cambridge, England)","2017","53","37","5110","5112","10.1039/c7cc01482a","","x-ray","0.71073","MoKα","","0.0402","0.0363","","","0.0946","0.0986","","","","","","1.063","","","","has coordinates","196261","2020-10-21","18:00:00",""
"7119999","8.437","0.013","13.02","0.02","11.652","0.018","90","","95.695","0.017","90","","1274","3","223","2","223","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C10 H28 Cl8 N2 O2 Zn3 -","- C10 H28 Cl8 N2 O2 Zn3 -","- C20 H56 Cl16 N4 O4 Zn6 -","2","0.5","","Patil, Yogesh P.; Kore, Rajkumar; Kelley, Steven Paul; Griffin, Scott T.; Rogers, Robin D.","Crystal Structure of Zn(ZnCl4)2(Cho)2: The Transformation of Ions to Neutral Species in a Deep Eutectic System","Chem. Commun.","2017","","","","","10.1039/C7CC01754E","","","0.71073","MoKα","","0.0585","0.0493","","","0.1508","0.164","","","","","","1.157","","","","has coordinates","211179","2020-10-21","18:00:00",""
"7120000","7.617","0.003","13.788","0.005","13.087","0.005","90","","104.365","0.006","90","","1331.5","0.9","173","2","173","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C10 H32 Cl8 N2 O4 Zn3 -","- C10 H32 Cl8 N2 O4 Zn3 -","- C20 H64 Cl16 N4 O8 Zn6 -","2","0.5","","Patil, Yogesh P.; Kore, Rajkumar; Kelley, Steven Paul; Griffin, Scott T.; Rogers, Robin D.","Crystal Structure of Zn(ZnCl4)2(Cho)2: The Transformation of Ions to Neutral Species in a Deep Eutectic System","Chem. Commun.","2017","","","","","10.1039/C7CC01754E","","","0.71073","MoKα","","0.0336","0.0322","","","0.0874","0.0886","","","","","","1.119","","","","has coordinates","195678","2020-10-21","18:00:00",""
"7120001","14.892","0.005","6.4795","0.0019","10.752","0.003","90","","90","","90","","1037.5","0.5","93","2","93","2","","","","","","","","3","P n m a","-P 2ac 2n","62","","","","- C11 H12 N6 -","- C11 H12 N6 -","- C44 H48 N24 -","4","0.5","","Watanabe, Hiroyuki; Hirose, Masataka; Tanaka, Kazuo; Chujo, Yoshiki","Development of emissive aminopentaazaphenalene derivatives employing a design strategy for obtaining luminescent conjugated molecules by modulating the symmetry of molecular orbitals with substituent effects.","Chemical communications (Cambridge, England)","2017","53","36","5036","5039","10.1039/c7cc01287j","","","0.71075","MoKα","","0.0927","0.0613","","","0.1322","0.1468","","","","","","1.085","","","","has coordinates","196288","2020-10-21","18:00:00",""
"7120002","19.382","0.003","14.196","0.0015","19.505","0.002","90","","103.166","0.003","90","","5225.7","1.1","153","2","153","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","NHB-CF2H","2-(difluoromethyl)-1,3-bis(2,6-diisopropylphenyl)-2,3-dihydro-1H-1,3,2-diazaborole","","- C27 H37 B F2 N2 -","- C27 H37 B F2 N2 -","- C216 H296 B8 F16 N16 -","8","2","","Ito, Shigekazu; Kato, Naoto; Mikami, Koichi","Stable (sila)difluoromethylboranes via C‒F activation of fluoroform derivatives","Chem. Commun.","2017","","","","","10.1039/C7CC02327H","","","0.71075","MoKα","","0.1734","0.0775","","","0.1728","0.2159","","","","","","1.006","","","","has coordinates","195680","2020-10-21","18:00:00",""
"7120003","20.072","0.004","16.329","0.004","16.631","0.004","90","","90","","90","","5451","2","291","2","291","2","","","","","","","","5","P 21 21 2","P 2 2ab","18","","","","- C44 H55 Eu N O22 -","- C44 H36 Eu N O22 -","- C176 H144 Eu4 N4 O88 -","4","1","","Li, Yu-Xin; Li, Shang-Ju; Yan, Peng-Fei; Wang, Xin-Yu; Yao, Xu; An, Guang-Hui; Li, Guang-Ming","Luminescence-colour-changing sensing of Mn(2+) and Ag(+) ions based on a white-light-emitting lanthanide coordination polymer.","Chemical communications (Cambridge, England)","2017","53","36","5067","5070","10.1039/c7cc00258k","","","0.71073","MoKα","","0.0577","0.0471","","","0.1341","0.1424","","","","","","1.052","","","","has coordinates","196292","2020-10-21","18:00:00",""
"7120004","20.118","0.004","16.652","0.003","16.747","0.003","90","","90","","90","","5610.3","1.8","293","2","293","2","","","","","","","","5","P 21 21 2","P 2 2ab","18","","","","- C44 H56 N O22 Sm -","- C44 H51 N O22 Sm -","- C176 H204 N4 O88 Sm4 -","4","1","","Li, Yu-Xin; Li, Shang-Ju; Yan, Peng-Fei; Wang, Xin-Yu; Yao, Xu; An, Guang-Hui; Li, Guang-Ming","Luminescence-colour-changing sensing of Mn(2+) and Ag(+) ions based on a white-light-emitting lanthanide coordination polymer.","Chemical communications (Cambridge, England)","2017","53","36","5067","5070","10.1039/c7cc00258k","","","0.71073","MoKα","","0.0854","0.0585","","","0.177","0.1944","","","","","","1.064","","","","has coordinates","196292","2020-10-21","18:00:00",""
"7120005","20.056","0.004","16.412","0.003","16.648","0.003","90","","90","","90","","5479.8","1.8","293","2","293","2","","","","","","","","5","P 21 21 2","P 2 2ab","18","","","","- C44 H56 N O22 Tb -","- C44 H51 N O22 Tb -","- C176 H204 N4 O88 Tb4 -","4","1","","Li, Yu-Xin; Li, Shang-Ju; Yan, Peng-Fei; Wang, Xin-Yu; Yao, Xu; An, Guang-Hui; Li, Guang-Ming","Luminescence-colour-changing sensing of Mn(2+) and Ag(+) ions based on a white-light-emitting lanthanide coordination polymer.","Chemical communications (Cambridge, England)","2017","53","36","5067","5070","10.1039/c7cc00258k","","","0.71073","MoKα","","0.0895","0.0679","","","0.1853","0.202","","","","","","1.071","","","","has coordinates","196292","2020-10-21","18:00:00",""
"7120006","10.606","0.004","6.39","0.003","13.828","0.006","90","","95.946","0.008","90","","932.1","0.7","293","2","293","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C18 H20 F4 N2 O3 -","- C18 H20 F4 N2 O3 -","- C36 H40 F8 N4 O6 -","2","1","","Liang, Xiao-Wei; Liu, Chuan; Zhang, Wei; You, Shuli","Asymmetric Fluorinative Dearomatization of Tryptamine Derivatives","Chem. Commun.","2017","","","","","10.1039/C7CC02419C","","","0.71073","MoKα","","0.1018","0.0888","","","0.2191","0.2281","","","","","","1.168","","","","has coordinates","195735","2020-10-21","18:00:00",""
"7120007","15.8764","0.0006","9.1798","0.0003","38.5234","0.0013","90","","101.949","0.004","90","","5492.8","0.3","123","1","123","1","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C25.5 H36 As N2 Si -","- C25.5 H36 As N2 Si -","- C204 H288 As8 N16 Si8 -","8","1","","Doddi, Adinarayana; Weinhart, Michael; Hinz, Alexander; Bockfeld, Dirk; Goicoechea, Jose M.; Scheer, Manfred; Tamm, Matthias","N-Heterocyclic Carbene-Stabilised Arsinidene (AsH)","Chem. Commun.","2017","","","","","10.1039/C7CC02628E","","x-ray","1.54184","CuKα","","0.0662","0.0568","","","0.1731","0.1853","","","","","","1.044","","","","has coordinates","195765","2020-10-21","18:00:00",""
"7120008","8.2857","0.0002","14.8334","0.0002","16.1781","0.0004","90","","102.69","0.002","90","","1939.8","0.07","123","1","123","1","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C21 H25 As N2 -","- C21 H25 As N2 -","- C84 H100 As4 N8 -","4","1","","Doddi, Adinarayana; Weinhart, Michael; Hinz, Alexander; Bockfeld, Dirk; Goicoechea, Jose M.; Scheer, Manfred; Tamm, Matthias","N-Heterocyclic Carbene-Stabilised Arsinidene (AsH)","Chem. Commun.","2017","","","","","10.1039/C7CC02628E","","x-ray","1.54184","CuKα","","0.0484","0.0448","","","0.1269","0.1304","","","","","","1.063","","","","has coordinates","195765","2020-10-21","18:00:00",""
"7120009","19.3683","0.0002","14.8549","0.0002","20.2018","0.0003","90","","90","","90","","5812.34","0.13","150","2","150","2","","","","","","","","4","P n a 21","P 2c -2n","33","","HAs{C[N(2,6-CHPh2,4-Me-C6H2)CH]2}*tol","","- C76 H65 As N2 -","- C76 H65 As N2 -","- C304 H260 As4 N8 -","4","1","","Doddi, Adinarayana; Weinhart, Michael; Hinz, Alexander; Bockfeld, Dirk; Goicoechea, Jose M.; Scheer, Manfred; Tamm, Matthias","N-Heterocyclic Carbene-Stabilised Arsinidene (AsH)","Chem. Commun.","2017","","","","","10.1039/C7CC02628E","","","1.54178","CuKα","","0.0527","0.0453","","","0.1267","0.153","","","","","","1.065","","","","has coordinates","195765","2020-10-21","18:00:00",""
"7120010","20.0571","0.0005","7.0854","0.0002","39.0742","0.001","90","","107.303","0.003","90","","5301.6","0.3","150.01","0.1","150.01","0.1","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C27 H37 As N2 -","- C27 H37 As N2 -","- C216 H296 As8 N16 -","8","1","","Doddi, Adinarayana; Weinhart, Michael; Hinz, Alexander; Bockfeld, Dirk; Goicoechea, Jose M.; Scheer, Manfred; Tamm, Matthias","N-Heterocyclic Carbene-Stabilised Arsinidene (AsH)","Chem. Commun.","2017","","","","","10.1039/C7CC02628E","","x-ray","1.54184","CuKα","","0.0541","0.0502","","","0.1425","0.1472","","","","","","1.042","","","","has coordinates","195765","2020-10-21","18:00:00",""
"7120011","20.0991","0.0004","14.6635","0.0002","21.6679","0.0004","90","","107.342","0.002","90","","6095.7","0.2","100","2","100","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C30 H45 As N2 Si -","- C30 H45 As N2 Si -","- C240 H360 As8 N16 Si8 -","8","2","","Doddi, Adinarayana; Weinhart, Michael; Hinz, Alexander; Bockfeld, Dirk; Goicoechea, Jose M.; Scheer, Manfred; Tamm, Matthias","N-Heterocyclic Carbene-Stabilised Arsinidene (AsH)","Chem. Commun.","2017","","","","","10.1039/C7CC02628E","","","1.54184","CuKα","","0.0371","0.0321","","","0.0801","0.0837","","","","","","1.016","","","","has coordinates","195765","2020-10-21","18:00:00",""
"7120012","19.0082","0.0003","9.1958","0.0002","28.5266","0.0005","90","","95.759","0.002","90","","4961.16","0.16","100","2","100","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C24 H33 As N2 Si -","- C24 H33 As N2 Si -","- C192 H264 As8 N16 Si8 -","8","2","","Doddi, Adinarayana; Weinhart, Michael; Hinz, Alexander; Bockfeld, Dirk; Goicoechea, Jose M.; Scheer, Manfred; Tamm, Matthias","N-Heterocyclic Carbene-Stabilised Arsinidene (AsH)","Chem. Commun.","2017","","","","","10.1039/C7CC02628E","","","1.54184","CuKα","","0.0409","0.0359","","","0.0917","0.0956","","","","","","1.024","","","","has coordinates","195765","2020-10-21","18:00:00",""
"7120013","13.7817","0.0007","13.8132","0.0007","17.7104","0.0009","75.742","0.002","75.384","0.002","66.637","0.002","2954.1","0.3","100","2","100.03","","","","","","","","","5","P -1","-P 1","2","","","","- C64 H58 Co4 N5 O14 -","- C64 H58 Co4 N5 O14 -","- C128 H116 Co8 N10 O28 -","2","1","","Lee, Heui Beom; Tsui, Emily Y.; Agapie, Theodor","CaMn4O2 model of the biological Oxygen Evolving Complex: Synthesis by cluster expansion on low symmetry ligand","Chem. Commun.","2017","","","","","10.1039/C7CC02313H","","","0.71073","MoKα","","0.0641","0.0448","","","0.1263","0.1376","","","","","","1.055","","","","has coordinates","195766","2020-10-21","18:00:00",""
"7120014","13.7237","0.0014","13.9138","0.0013","17.8609","0.0017","75.523","0.004","75.229","0.003","65.876","0.003","2968.4","0.5","100","2","100.04","","","","","","","","","5","P -1","-P 1","2","","","","- C64 H58 Fe4 N5 O14 -","- C64 H58 Fe4 N5 O14 -","- C128 H116 Fe8 N10 O28 -","2","1","","Lee, Heui Beom; Tsui, Emily Y.; Agapie, Theodor","CaMn4O2 model of the biological Oxygen Evolving Complex: Synthesis by cluster expansion on low symmetry ligand","Chem. Commun.","2017","","","","","10.1039/C7CC02313H","","","0.71073","MoKα","","0.1521","0.0744","","","0.1512","0.1773","","","","","","1.045","","","","has coordinates","195766","2020-10-21","18:00:00",""
"7120015","14.8017","0.0004","16.3782","0.0005","21.9258","0.0006","88.288","0.001","81.09","0.001","87.596","0.001","5245.1","0.3","100","2","100","","","","","","","","","7","P -1","-P 1","2","","","","- C120 H92 Ca Cl4 Mn4 N4 O17.5 -","- C120 H92 Ca Cl4 Mn4 N4 O17.5 -","- C240 H184 Ca2 Cl8 Mn8 N8 O35 -","2","1","","Lee, Heui Beom; Tsui, Emily Y.; Agapie, Theodor","CaMn4O2 model of the biological Oxygen Evolving Complex: Synthesis by cluster expansion on low symmetry ligand","Chem. Commun.","2017","","","","","10.1039/C7CC02313H","","","0.71073","MoKα","","0.1157","0.0745","","","0.1886","0.2124","","","","","","1.025","","","","has coordinates,has disorder","195766","2020-10-21","18:00:00",""
"7120016","14.7524","0.0008","16.2906","0.0008","22.1991","0.0012","90.35","0.002","98.124","0.002","92.207","0.002","5277.2","0.5","100","2","100.04","","","","","","","","","5","P -1","-P 1","2","","","","- C128 H93.03 Mn5 N4 O20 -","- C128 H93.03 Mn5 N4 O20 -","- C256 H186.06 Mn10 N8 O40 -","2","1","","Lee, Heui Beom; Tsui, Emily Y.; Agapie, Theodor","CaMn4O2 model of the biological Oxygen Evolving Complex: Synthesis by cluster expansion on low symmetry ligand","Chem. Commun.","2017","","","","","10.1039/C7CC02313H","","","0.71073","MoKα","","0.0779","0.0526","","","0.1259","0.1394","","","","","","1.027","","","","has coordinates,has disorder","195766","2020-10-21","18:00:00",""
"7120017","13.5028","0.0018","16.598","0.002","21.517","0.003","77.057","0.003","82.24","0.003","83.778","0.003","4641.5","1.1","100","2","99.99","","","","","","","","","6","P -1","-P 1","2","","","","- C102.89 H76.08 Cl2.56 Mn4 N4 O13.65 -","- C102.888 H76.08 Cl2.56 Mn4 N4 O13.652 -","- C205.776 H152.16 Cl5.12 Mn8 N8 O27.304 -","2","1","","Lee, Heui Beom; Tsui, Emily Y.; Agapie, Theodor","CaMn4O2 model of the biological Oxygen Evolving Complex: Synthesis by cluster expansion on low symmetry ligand","Chem. Commun.","2017","","","","","10.1039/C7CC02313H","","","0.71073","MoKα","","0.1338","0.0902","","","0.2506","0.2746","","","","","","1.064","","","","has coordinates,has disorder","195766","2020-10-21","18:00:00",""
"7120019","36.9553","0.0007","36.9553","0.0007","119.924","0.003","90","","90","","120","","141837","5","99.97","0.1","99.97","0.1","","","","","","","","4","R -3 c","-R 3 2""c","167","","","","- C382.5 H444 N24 O48 -","- C382.5 H444 N24 O48 -","- C4590 H5328 N288 O576 -","12","","","Wierzbicki, M.; Głowacka, A A; Szymański, M P; Szumna, A.","A chiral member of the family of organic hexameric cages.","Chemical communications (Cambridge, England)","2017","53","37","5200","5203","10.1039/c7cc02245j","","x-ray","1.54184","CuKα","","0.1497","0.0829","","","0.2383","0.2595","","","","","","0.864","","","","has coordinates,has disorder","196265","2020-10-21","18:00:00",""
"7120020","15.525","0.003","16.113","0.003","17.383","0.004","105.88","0.03","101.79","0.03","107.16","0.03","3799.2","1.9","173","2","173","2","","","","","","","","5","P -1","-P 1","2","","","","- C45 H20 F10 N4 O3 -","- C45 H20 F10 N4 O3 -","- C180 H80 F40 N16 O12 -","4","2","","Sun, Huiling; Han, Yongzhen; Lei, Haitao; Chen, Mingxing; Cao, Rui","Cobalt corroles with phosphonic acid pendants as catalysts for oxygen and hydrogen evolution from neutral aqueous solution","Chem. Commun.","2017","","","","","10.1039/C7CC02400B","","","0.71073","MoKα","","0.1074","0.0876","","","0.2278","0.2434","","","","","","1.091","","","","has coordinates","195795","2020-10-21","18:00:00",""
"7120021","10.065","0.002","29.201","0.006","32.249","0.006","90","","90","","90","","9478","3","173","2","173","2","","","","","","","","6","P b c a","-P 2ac 2ab","61","","","","- C53 H41 F10 N4 O4 P -","- C53 H41 F10 N4 O4 P -","- C424 H328 F80 N32 O32 P8 -","8","1","","Sun, Huiling; Han, Yongzhen; Lei, Haitao; Chen, Mingxing; Cao, Rui","Cobalt corroles with phosphonic acid pendants as catalysts for oxygen and hydrogen evolution from neutral aqueous solution","Chem. Commun.","2017","","","","","10.1039/C7CC02400B","","","0.71073","MoKα","","0.1023","0.087","","","0.2225","0.2453","","","","","","1.034","","","","has coordinates","195795","2020-10-21","18:00:00",""
"7120022","12.431","0.0007","27.8731","0.0015","28.7605","0.0014","90","","90","","90","","9965.2","0.9","150","2","150","2","","","","","","","","8","P b c a","-P 2ac 2ab","61","","","","- C61 H29 Br Co F10 N4 O P -","- C61 H29 Br Co F10 N4 O P -","- C488 H232 Br8 Co8 F80 N32 O8 P8 -","8","1","","Sun, Huiling; Han, Yongzhen; Lei, Haitao; Chen, Mingxing; Cao, Rui","Cobalt corroles with phosphonic acid pendants as catalysts for oxygen and hydrogen evolution from neutral aqueous solution","Chem. Commun.","2017","","","","","10.1039/C7CC02400B","","","0.71073","MoKα","","0.0467","0.0342","","","0.083","0.0886","","","","","","1.04","","","","has coordinates","195795","2020-10-21","18:00:00",""
"7120023","16.99","0.008","35.806","0.016","8.617","0.004","90","","90","","90","","5242","4","150","2","150","2","","","","","","","","8","P 21 21 2","P 2 2ab","18","","","","- C58.35 H36.7 Cl0.7 Co F10 N6 O4 P -","- C58.35 H36.7 Cl0.7 Co F10 N6 O4 P -","- C233.4 H146.8 Cl2.8 Co4 F40 N24 O16 P4 -","4","1","","Sun, Huiling; Han, Yongzhen; Lei, Haitao; Chen, Mingxing; Cao, Rui","Cobalt corroles with phosphonic acid pendants as catalysts for oxygen and hydrogen evolution from neutral aqueous solution","Chem. Commun.","2017","","","","","10.1039/C7CC02400B","","","0.71073","MoKα","","0.0684","0.0558","","","0.1298","0.1392","","","","","","1.083","","","","has coordinates","195795","2020-10-21","18:00:00",""
"7120024","14.1071","0.0005","16.9092","0.0004","20.563","0.0008","90","","106.893","0.003","90","","4693.4","0.3","180","2","180","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C96 H100 Cu6 P6 Se6 Sn2 -","- C96 H100 Cu6 P6 Se6 Sn2 -","- C192 H200 Cu12 P12 Se12 Sn4 -","2","0.5","","Luo, Feng; Gao, Heng Ya; Peng, Wenli; Meng, PanPan; Feng, Xuefeng; Li, Jianqiang; Wu, HuiQiong; Yan, Chang Sheng; Xiaong, Yang Yang","Lanthanide separation using size-selective crystallization of Ln-MOFs","Chem. Commun.","2017","","","","","10.1039/C7CC01898C","","","0.71073","MoKα","","0.0475","0.0363","","","0.089","0.0933","","","","","","1.005","","","","has coordinates,has disorder","195833","2020-10-21","18:00:00",""
"7120025","8.7525","0.0013","8.7492","0.0012","27.498","0.004","90","","102.074","0.009","90","","2059.1","0.5","296","2","296","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C17 H18 Dy N3 O9 -","- C17 H18 Dy N3 O9 -","- C68 H72 Dy4 N12 O36 -","4","1","","Luo, Feng; Gao, Heng Ya; Peng, Wenli; Meng, PanPan; Feng, Xuefeng; Li, Jianqiang; Wu, HuiQiong; Yan, Chang Sheng; Xiaong, Yang Yang","Lanthanide separation using size-selective crystallization of Ln-MOFs","Chem. Commun.","2017","","","","","10.1039/C7CC01898C","","","0.71073","MoKα","","0.0223","0.0187","","","0.0461","0.0472","","","","","","1.056","","","","has coordinates","195833","2020-10-21","18:00:00",""
"7120026","9.5673","0.0005","11.2234","0.0004","15.3626","0.0007","83.978","0.004","76.161","0.005","71.442","0.004","1517.69","0.13","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","","","- C56 H58 Cl12 N6 Pd2 -","- C56 H58 Cl12 N6 Pd2 -","- C56 H58 Cl12 N6 Pd2 -","1","0.5","","Luo, Feng; Gao, Heng Ya; Peng, Wenli; Meng, PanPan; Feng, Xuefeng; Li, Jianqiang; Wu, HuiQiong; Yan, Chang Sheng; Xiaong, Yang Yang","Lanthanide separation using size-selective crystallization of Ln-MOFs","Chem. Commun.","2017","","","","","10.1039/C7CC01898C","","","0.71073","MoKα","","0.0569","0.0482","","","0.1191","0.1277","","","","","","1.082","","","","has coordinates","195833","2020-10-21","18:00:00",""
"7120027","15.528","0.004","15.999","0.004","13.519","0.003","90","","112.643","0.016","90","","3099.7","1.4","296","2","296","2","","","","","","","","5","P 1 2/c 1","-P 2yc","13","","","","- C14 H6 N2 Nd O7.5 -","- C14 H6 N2 Nd O7.5 -","- C56 H24 N8 Nd4 O30 -","4","1","","Luo, Feng; Gao, Heng Ya; Peng, Wenli; Meng, PanPan; Feng, Xuefeng; Li, Jianqiang; Wu, HuiQiong; Yan, Chang Sheng; Xiaong, Yang Yang","Lanthanide separation using size-selective crystallization of Ln-MOFs","Chem. Commun.","2017","","","","","10.1039/C7CC01898C","","","0.71073","MoKα","","0.139","0.1276","","","0.3124","0.3178","","","","","","1.158","","","","has coordinates","195833","2020-10-21","18:00:00",""
"7120028","8.8181","0.0002","8.7879","0.0001","27.5387","0.0004","90","","102.183","0.001","90","","2085.98","0.06","296","2","296","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C17 H16 Gd N3 O9 -","- C17 H16 Gd N3 O9 -","- C68 H64 Gd4 N12 O36 -","4","1","","Luo, Feng; Gao, Heng Ya; Peng, Wenli; Meng, PanPan; Feng, Xuefeng; Li, Jianqiang; Wu, HuiQiong; Yan, Chang Sheng; Xiaong, Yang Yang","Lanthanide separation using size-selective crystallization of Ln-MOFs","Chem. Commun.","2017","","","","","10.1039/C7CC01898C","","","0.71073","MoKα","","0.0215","0.0178","","","0.0504","0.0626","","","","","","1.253","","","","has coordinates","195833","2020-10-21","18:00:00",""
"7120029","20.108","0.002","7.4444","0.0009","25.868","0.003","90","","104.94","0.004","90","","3741.3","0.7","296","2","296","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C33 H24 La2 N6 O18 -","- C33 H24 La2 N6 O18 -","- C132 H96 La8 N24 O72 -","4","0.5","","Luo, Feng; Gao, Heng Ya; Peng, Wenli; Meng, PanPan; Feng, Xuefeng; Li, Jianqiang; Wu, HuiQiong; Yan, Chang Sheng; Xiaong, Yang Yang","Lanthanide separation using size-selective crystallization of Ln-MOFs","Chem. Commun.","2017","","","","","10.1039/C7CC01898C","","","0.71073","MoKα","","0.0312","0.0299","","","0.0761","0.0775","","","","","","1.083","","","","has coordinates","195833","2020-10-21","18:00:00",""
"7120030","15.516","0.004","15.899","0.005","13.27","0.004","90","","112.469","0.011","90","","3025.1","1.5","296","2","296","2","","","","","","","","5","P 1 2/c 1","-P 2yc","13","","","","- C18.5 H17 Eu N3.5 O7.5 -","- C18.5 H17 Eu N3.5 O7.5 -","- C74 H68 Eu4 N14 O30 -","4","1","","Luo, Feng; Gao, Heng Ya; Peng, Wenli; Meng, PanPan; Feng, Xuefeng; Li, Jianqiang; Wu, HuiQiong; Yan, Chang Sheng; Xiaong, Yang Yang","Lanthanide separation using size-selective crystallization of Ln-MOFs","Chem. Commun.","2017","","","","","10.1039/C7CC01898C","","","0.71073","MoKα","","0.0573","0.0433","","","0.1291","0.1417","","","","","","1.063","","","","has coordinates","195833","2020-10-21","18:00:00",""
"7120031","8.8304","0.0017","8.8257","0.0017","27.644","0.005","90","","102.142","0.009","90","","2106.2","0.7","296","2","296","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C17 H18 Ho N3 O9 -","- C17 H18 Ho N3 O9 -","- C68 H72 Ho4 N12 O36 -","4","1","","Luo, Feng; Gao, Heng Ya; Peng, Wenli; Meng, PanPan; Feng, Xuefeng; Li, Jianqiang; Wu, HuiQiong; Yan, Chang Sheng; Xiaong, Yang Yang","Lanthanide separation using size-selective crystallization of Ln-MOFs","Chem. Commun.","2017","","","","","10.1039/C7CC01898C","","","0.71073","MoKα","","0.0425","0.0414","","","0.1083","0.109","","","","","","1.177","","","","has coordinates","195833","2020-10-21","18:00:00",""
"7120032","10.8547","0.0004","9.5515","0.0003","34.259","0.001","90","","95.246","0.004","90","","3537","0.2","300","2","300","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C39 H36 Co N3 O9 -","- C39 H36 Co N3 O9 -","- C156 H144 Co4 N12 O36 -","4","1","","Luo, Feng; Gao, Heng Ya; Peng, Wenli; Meng, PanPan; Feng, Xuefeng; Li, Jianqiang; Wu, HuiQiong; Yan, Chang Sheng; Xiaong, Yang Yang","Lanthanide separation using size-selective crystallization of Ln-MOFs","Chem. Commun.","2017","","","","","10.1039/C7CC01898C","","","0.71073","MoKα","","0.0919","0.0614","","","0.1576","0.181","","","","","","1.213","","","","has coordinates","195833","2020-10-21","18:00:00",""
"7120033","12.724","0.0005","14.525","0.0006","15.261","0.0006","108.741","0.003","108.982","0.003","100.892","0.003","2386.22","0.19","180","2","180","2","","","","","","","","6","P -1","-P 1","2","","","","- C96 H100 Cu6 P6 S6 Sn2 -","- C96 H100 Cu6 P6 S6 Sn2 -","- C96 H100 Cu6 P6 S6 Sn2 -","1","0.5","","Luo, Feng; Gao, Heng Ya; Peng, Wenli; Meng, PanPan; Feng, Xuefeng; Li, Jianqiang; Wu, HuiQiong; Yan, Chang Sheng; Xiaong, Yang Yang","Lanthanide separation using size-selective crystallization of Ln-MOFs","Chem. Commun.","2017","","","","","10.1039/C7CC01898C","","","0.71073","MoKα","","0.0331","0.0271","","","0.0664","0.0684","","","","","","0.985","","","","has coordinates","195833","2020-10-21","18:00:00",""
"7120034","14.4576","0.0006","14.536","0.0006","14.6347","0.0008","73.848","0.004","69.207","0.003","70.959","0.003","2671.7","0.2","180","2","180","2","","","","","","","","6","P -1","-P 1","2","","","","- C110 H116 Cu6 P6 Sn2 Te6 -","- C110 H116 Cu6 P6 Sn2 Te6 -","- C110 H116 Cu6 P6 Sn2 Te6 -","1","0.5","","Luo, Feng; Gao, Heng Ya; Peng, Wenli; Meng, PanPan; Feng, Xuefeng; Li, Jianqiang; Wu, HuiQiong; Yan, Chang Sheng; Xiaong, Yang Yang","Lanthanide separation using size-selective crystallization of Ln-MOFs","Chem. Commun.","2017","","","","","10.1039/C7CC01898C","","","0.71073","MoKα","","0.0379","0.0281","","","0.0727","0.0759","","","","","","1.015","","","","has coordinates,has disorder","195833","2020-10-21","18:00:00",""
"7120035","20.0164","0.0006","7.3972","0.0002","25.712","0.0007","90","","105.093","0.001","90","","3675.73","0.18","296","2","296","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C33 H24 Ce2 N6 O18 -","- C33 H24 Ce2 N6 O18 -","- C132 H96 Ce8 N24 O72 -","4","0.5","","Luo, Feng; Gao, Heng Ya; Peng, Wenli; Meng, PanPan; Feng, Xuefeng; Li, Jianqiang; Wu, HuiQiong; Yan, Chang Sheng; Xiaong, Yang Yang","Lanthanide separation using size-selective crystallization of Ln-MOFs","Chem. Commun.","2017","","","","","10.1039/C7CC01898C","","","0.71073","MoKα","","0.0325","0.03","","","0.0765","0.0785","","","","","","0.979","","","","has coordinates","195833","2020-10-21","18:00:00",""
"7120036","8.742","0.002","8.729","0.002","27.415","0.007","90","","102.193","0.01","90","","2044.8","0.8","296","2","296","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C17 H18 N3 O9 Tb -","- C17 H18 N3 O9 Tb -","- C68 H72 N12 O36 Tb4 -","4","1","","Luo, Feng; Gao, Heng Ya; Peng, Wenli; Meng, PanPan; Feng, Xuefeng; Li, Jianqiang; Wu, HuiQiong; Yan, Chang Sheng; Xiaong, Yang Yang","Lanthanide separation using size-selective crystallization of Ln-MOFs","Chem. Commun.","2017","","","","","10.1039/C7CC01898C","","","0.71073","MoKα","","0.0276","0.0228","","","0.0509","0.0554","","","","","","1.162","","","","has coordinates","195833","2020-10-21","18:00:00",""
"7120037","15.5354","0.0008","15.8981","0.001","13.3111","0.0008","90","","112.592","0.003","90","","3035.3","0.3","296","2","296","2","","","","","","","","5","P 1 2/c 1","-P 2yc","13","","","","- C16.5 H6 N3.5 O7.5 Sm -","- C16.5 H6 N3.5 O7.5 Sm -","- C66 H24 N14 O30 Sm4 -","4","1","","Luo, Feng; Gao, Heng Ya; Peng, Wenli; Meng, PanPan; Feng, Xuefeng; Li, Jianqiang; Wu, HuiQiong; Yan, Chang Sheng; Xiaong, Yang Yang","Lanthanide separation using size-selective crystallization of Ln-MOFs","Chem. Commun.","2017","","","","","10.1039/C7CC01898C","","","0.71073","MoKα","","0.1125","0.0818","","","0.2122","0.2345","","","","","","1.164","","","","has coordinates","195833","2020-10-21","18:00:00",""
"7120038","8.7022","0.0012","8.7472","0.0012","9.3558","0.0013","107.09","0.002","109.747","0.002","94.64","0.003","627.7","0.15","296","2","296","2","","","","","","","","4","P -1","-P 1","2","","","","- C13 H14 N2 O3 -","- C13 H14 N2 O3 -","- C26 H28 N4 O6 -","2","1","","Luo, Feng; Gao, Heng Ya; Peng, Wenli; Meng, PanPan; Feng, Xuefeng; Li, Jianqiang; Wu, HuiQiong; Yan, Chang Sheng; Xiaong, Yang Yang","Lanthanide separation using size-selective crystallization of Ln-MOFs","Chem. Commun.","2017","","","","","10.1039/C7CC01898C","","","0.71073","MoKα","","0.217","0.2042","","","0.6328","0.6554","","","","","","1.074","","","","has coordinates","195833","2020-10-21","18:00:00",""
"7120039","20.0308","0.0009","7.3601","0.0003","25.6802","0.0012","90","","105.047","0.002","90","","3656.2","0.3","296","2","296","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C33 H20 N6 O18 Pr2 -","- C33 H20 N6 O18 Pr2 -","- C132 H80 N24 O72 Pr8 -","4","0.5","","Luo, Feng; Gao, Heng Ya; Peng, Wenli; Meng, PanPan; Feng, Xuefeng; Li, Jianqiang; Wu, HuiQiong; Yan, Chang Sheng; Xiaong, Yang Yang","Lanthanide separation using size-selective crystallization of Ln-MOFs","Chem. Commun.","2017","","","","","10.1039/C7CC01898C","","","0.71073","MoKα","","0.03","0.0271","","","0.0701","0.0723","","","","","","1.056","","","","has coordinates","195833","2020-10-21","18:00:00",""
"7120040","13.1507","0.0005","16.4126","0.0008","16.7567","0.0008","114.391","0.005","108.32","0.004","99.463","0.004","2940.4","0.3","223","2","223","2","","","","","","","","5","P -1","-P 1","2","","","","- C19 H16 Cl3 N3 Zn -","- C19 H15.6667 Cl3 N3 Zn -","- C114 H94 Cl18 N18 Zn6 -","6","3","","Shi, Yi-Xiang; Li, Wu-Xiang; Chen, Huan-Huan; Young, David James; Zhang, Wen-Hua; Lang, Jian-Ping","A crystalline zinc(II) complex showing hollow hexagonal tubular morphology evolution, selective dye absorption and unique response to UV irradiation","Chem. Commun.","2017","","","","","10.1039/C7CC02704D","","","0.71073","MoKα","","0.1191","0.0858","","","0.2632","0.2792","","","","","","1.581","","","","has coordinates","203412","2020-10-21","18:00:00",""
"7120041","12.2544","0.0013","14.7011","0.0016","15.7192","0.0017","72.214","0.002","87.95","0.002","87.46","0.002","2693.1","0.5","293","2","293","2","","","","","","","","6","P -1","-P 1","2","","BODIPY","","- C25 H37 B F2 N2 Si -","- C25 H37 B F2 N2 Si -","- C100 H148 B4 F8 N8 Si4 -","4","2","","Zhang, Wenxing; Sheng, Wanle; Yu, Changjiang; Wei, Yun; Wang, Hua; Hao, Erhong; Jiao, Lijuan","One-pot synthesis and properties of well-defined butadiynylene-BODIPY oligomers","Chem. Commun.","2017","","","","","10.1039/C7CC02393F","","","0.71073","MoKα","","0.1884","0.1007","","","0.3155","0.4048","","","","","","0.966","","","","has coordinates","195835","2020-10-21","18:00:00",""
"7120042","23.268","0.015","6.995","0.004","30.146","0.016","90","","121.65","0.019","90","","4177","4","293","2","293","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","BODIPY dimer","","- C44 H56 B2 F4 N4 -","- C44 H56 B2 F4 N4 -","- C176 H224 B8 F16 N16 -","4","0.5","","Zhang, Wenxing; Sheng, Wanle; Yu, Changjiang; Wei, Yun; Wang, Hua; Hao, Erhong; Jiao, Lijuan","One-pot synthesis and properties of well-defined butadiynylene-BODIPY oligomers","Chem. Commun.","2017","","","","","10.1039/C7CC02393F","","","0.71073","MoKα","","0.2468","0.1371","","","0.3366","0.3968","","","","","","1.076","","","","has coordinates","195835","2020-10-21","18:00:00",""
"7120043","14.8182","0.0016","15.3372","0.0016","17.1281","0.0018","80.755","0.002","77.263","0.002","61.281","0.001","3323","0.6","293","2","293","2","","","","","","","","6","P -1","-P 1","2","","BODIPY","","- C30 H45 B F2 N2 Si2 -","- C30 H45 B F2 N2 Si2 -","- C120 H180 B4 F8 N8 Si8 -","4","2","","Zhang, Wenxing; Sheng, Wanle; Yu, Changjiang; Wei, Yun; Wang, Hua; Hao, Erhong; Jiao, Lijuan","One-pot synthesis and properties of well-defined butadiynylene-BODIPY oligomers","Chem. Commun.","2017","","","","","10.1039/C7CC02393F","","","0.71073","MoKα","","0.1586","0.0698","","","0.1679","0.2207","","","","","","1.038","","","","has coordinates","202518","2020-10-21","18:00:00",""
"7120044","23.7144","0.0019","16.4758","0.0013","29.359","0.002","90","","90","","90","","11471","1.5","293","2","293","2","","","","","","","","6","P b c n","-P 2n 2ab","60","","BODIPY dimer","","- C54 H60 B2 F4 N4 Si2 -","- C54 H60 B2 F4 N4 Si2 -","- C432 H480 B16 F32 N32 Si16 -","8","1","","Zhang, Wenxing; Sheng, Wanle; Yu, Changjiang; Wei, Yun; Wang, Hua; Hao, Erhong; Jiao, Lijuan","One-pot synthesis and properties of well-defined butadiynylene-BODIPY oligomers","Chem. Commun.","2017","","","","","10.1039/C7CC02393F","","","0.71073","MoKα","","0.2273","0.1275","","","0.3584","0.4482","","","","","","0.976","","","","has coordinates,has disorder","195835","2020-10-21","18:00:00",""
"7120045","8.4609","0.0009","16.0863","0.0017","32.951","0.003","90","","90","","90","","4484.8","0.8","293","2","293","2","","","","","","","","6","P b c a","-P 2ac 2ab","61","","BODIPY","","- C20 H27 B F2 I2 N2 -","- C20 H27 B F2 I2 N2 -","- C160 H216 B8 F16 I16 N16 -","8","1","","Zhang, Wenxing; Sheng, Wanle; Yu, Changjiang; Wei, Yun; Wang, Hua; Hao, Erhong; Jiao, Lijuan","One-pot synthesis and properties of well-defined butadiynylene-BODIPY oligomers","Chem. Commun.","2017","","","","","10.1039/C7CC02393F","","","0.71073","MoKα","","0.0624","0.0532","","","0.1507","0.166","","","","","","0.81","","","","has coordinates","195835","2020-10-21","18:00:00",""
"7120046","16.1283","0.0008","12.1688","0.0006","16.358","0.0008","90","","96.567","0.003","90","","3189.4","0.3","100","2","100","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C36 H28 Co P Se4 -","- C36 H28 Co P Se4 -","- C144 H112 Co4 P4 Se16 -","4","0.5","","Downes, Courtney A.; Yoo, Joseph W.; Orchanian, Nicholas M.; Haiges, Ralf; Marinescu, Smaranda C.","H2 Evolution by a Cobalt Selenolate Electrocatalyst and Related Mechanistic Studies","Chem. Commun.","2017","","","","","10.1039/C7CC02473H","","","1.54178","CuKα","","0.0268","0.0234","","","0.0551","0.0569","","","","","","1.038","","","","has coordinates","195836","2020-10-21","18:00:00",""
"7120047","7.2601","0.0015","8.0089","0.0017","12.696","0.003","92.401","0.003","101.341","0.003","97.641","0.002","715.6","0.3","100.15","","100.15","","","","","","","","","5","P -1","-P 1","2","","Cu(OAc)2Dptz.(Nitromethane)","","- C2.75 H3.25 Cu0.25 N O1.5 -","- C2.75 H3.25 Cu0.25 N O1.5 -","- C22 H26 Cu2 N8 O12 -","8","4","","Barbour, Len; Bezuidenhout, Charl Xavier; Esterhuysen, Catharine","Solvatochromism as a probe to observe the solvent exchange process in a 1-D porous coordination polymer with 1-D solvent accessible channels.","Chem. Commun.","2017","","","","","10.1039/C7CC02492D","","","0.71073","MoKα","","0.0316","0.0288","","","0.0782","0.0798","","","","","","1.059","","","","has coordinates,has disorder","195855","2020-10-21","18:00:00",""
"7120048","7.2492","0.0011","8.0459","0.0012","13.881","0.002","97.495","0.002","101.91","0.002","97.661","0.002","774.6","0.2","100.15","","100.15","","","","","","","","","6","P -1","-P 1","2","","Cu(OAc)2Dptz.(Chloroform)","","- C11 H11 Cl3 Cu N3 O4 -","- C11 H11 Cl3 Cu N3 O4 -","- C22 H22 Cl6 Cu2 N6 O8 -","2","1","","Barbour, Len; Bezuidenhout, Charl Xavier; Esterhuysen, Catharine","Solvatochromism as a probe to observe the solvent exchange process in a 1-D porous coordination polymer with 1-D solvent accessible channels.","Chem. Commun.","2017","","","","","10.1039/C7CC02492D","","","0.71073","MoKα","","0.0275","0.0239","","","0.0573","0.0589","","","","","","1.079","","","","has coordinates,has disorder","195855","2020-10-21","18:00:00",""
"7120049","8.0847","0.0011","13.3748","0.0018","20.979","0.003","106.491","0.002","91.394","0.002","96.74","0.002","2156.2","0.5","100","","100.15","","","","","","","","","5","P -1","-P 1","2","","Cu(OAc)2Dptz.(Acetonitrile)","","- C36 H39 Cu3 N12 O12 -","- C36 H39 Cu3 N12 O12 -","- C72 H78 Cu6 N24 O24 -","2","1","","Barbour, Len; Bezuidenhout, Charl Xavier; Esterhuysen, Catharine","Solvatochromism as a probe to observe the solvent exchange process in a 1-D porous coordination polymer with 1-D solvent accessible channels.","Chem. Commun.","2017","","","","","10.1039/C7CC02492D","","","0.71073","MoKα","","0.0422","0.0288","","","0.0689","0.0743","","","","","","1.04","","","","has coordinates,has disorder","195855","2020-10-21","18:00:00",""
"7120050","12.5447","0.0019","12.1776","0.0018","15.348","0.002","90","","92.87","0.002","90","","2341.7","0.6","273","2","273.15","","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C22 H13 F3 N3 O7 Re S -","- C22 H13 F3 N3 O7 Re S -","- C88 H52 F12 N12 O28 Re4 S4 -","4","1","","Chakraborty, Indranil; Jimenez, Jorge; Mascharak, Pradip","CO-induced Apoptotic Death of Colorectal Cancer Cells by a Luminescent PhotoCORM Grafted on Biocompatible Carboxymethyl Chitosan","Chem. Commun.","2017","","","","","10.1039/C7CC02842C","","","0.71073","MoKα","","0.0374","0.029","","","0.0632","0.0662","","","","","","0.99","","","","has coordinates","195856","2020-10-21","18:00:00",""
"7120051","18.8323","0.0007","18.8323","0.0007","38.4958","0.0015","90","","90","","120","","11823.6","0.8","173","2","173","2","","","","","","","","4","R 3 :H","R 3","146","","","","- C32 H34 O12 Zn2 -","- C32 H14 O12 Zn2 -","- C288 H126 O108 Zn18 -","9","1","","Larpen, Patrick; BASSANETTI, Irene; Corso, Romain; Jouaiti, Abdelaziz; Kyritsakas, Nathalie; Asnaghi, Donata; Comotti, Angiolina; Sozzani, Piero; Hosseini, Mir Wais","Molecular tectonics: gas adsorption and chiral uptake of (L)- and (D)- tryptophan by homochiral porous coordination polymers","Chem. Commun.","2017","","","","","10.1039/C7CC01554B","","","0.71073","MoKα","","0.1421","0.0839","","","0.2153","0.2331","","","","","","1.007","","","","has coordinates,has disorder","195857","2020-10-21","18:00:00",""
"7120052","18.9586","0.0007","18.9586","0.0007","38.0589","0.0013","90","","90","","120","","11846.8","0.7","173","2","173","2","","","","","","","","4","R 3 :H","R 3","146","","","","- C30 H30 O12 Zn2 -","- C30 H26 O12 Zn2 -","- C270 H234 O108 Zn18 -","9","1","","Larpen, Patrick; BASSANETTI, Irene; Corso, Romain; Jouaiti, Abdelaziz; Kyritsakas, Nathalie; Asnaghi, Donata; Comotti, Angiolina; Sozzani, Piero; Hosseini, Mir Wais","Molecular tectonics: gas adsorption and chiral uptake of (L)- and (D)- tryptophan by homochiral porous coordination polymers","Chem. Commun.","2017","","","","","10.1039/C7CC01554B","","","0.71073","MoKα","","0.1253","0.0804","","","0.2234","0.2474","","","","","","1.02","","","","has coordinates,has disorder","195857","2020-10-21","18:00:00",""
"7120053","33.2401","0.0004","33.2401","0.0004","5.8894","0.0001","90","","90","","90","","6507.22","0.16","293","2","293","2","","","","","","","","6","I 4/m","-I 4","87","","","","- C20 H25 Cl N O5 Pb1.5 -","- C20 Cl O5 Pb1.5 -","- C160 Cl8 O40 Pb12 -","8","0.5","","Dai, Fangna; Fan, Weidong; Yuan, Xue; Huang, Zhaodi; Wang, Yutong; Xin, Xuelian; Lin, Huan; Zhang, Liangliang; Wang, Rongming; Sun, Daofeng","A Non-interpenetrating Lead-Organic Framework with Large Channels Based on 1D Tube-Shaped SBUs","Chem. Commun.","2017","","","","","10.1039/C7CC02134H","","","1.54184","CuKα","","0.0949","0.0899","","","0.2504","0.2537","","","","","","1.13","","","","has coordinates,has disorder","195858","2020-10-21","18:00:00",""
"7120054","8.6432","0.0002","13.5987","0.0003","9.3093","0.0007","90","","110.897","0.008","90","","1022.21","0.1","85","2","85","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","DAF/ADNP","3,4-Diaminofurazan/4-amino-3,5-dinitropyrazole","","- C5 H7 N9 O5 -","- C5 H7 N9 O5 -","- C20 H28 N36 O20 -","4","1","","Bennion, Jonathan C.; Siddiqi, Zohaib Raees; Matzger, Adam","A Melt Castable Energetic Cocrystal","Chem. Commun.","2017","","","","","10.1039/C7CC02636F","","","1.54178","CuKα","","0.0338","0.0329","","","0.0844","0.0852","","","","","","1.026","","","","has coordinates","195859","2020-10-21","18:00:00",""
"7120055","9.859","0.003","13.57","0.005","17.593","0.006","90","","90","","90","","2353.7","1.4","296","","296.15","","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C24 H32 O4 S2 -","- C24 H32 O4 S2 -","- C96 H128 O16 S8 -","4","1","","Cheng, Chunru; Liu, Yi; Liang, Ren-Ming; Ma, Qing-Ping; Xu, Kai; Liang, Xin-Yong; Huang, Wei; Sutton, Robert; Ding, Jie; ONeill, P M","Synthesis of Thioether Andrographolide Derivatives and Their Inhibitory Effect Against Cancer Cells","Med. Chem. Commun.","2017","","","","","10.1039/C7MD00169J","","","0.71073","MoKα","","0.1011","0.0575","","","0.1611","0.1915","","","","","","1.009","","","","has coordinates,has disorder","195864","2020-10-21","18:00:00",""
"7120056","16.1287","0.0011","11.1367","0.0009","8.7194","0.0009","90","","104.776","0.008","90","","1514.4","0.2","293","","293","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C18 H17 F2 N O2 -","- C18 H17 F2 N O2 -","- C72 H68 F8 N4 O8 -","4","1","","Adouama, Chérif; Keyrouz, Robert; pilet, guillaume; Monnereau, Cyrille; Gueyrard, David; Noel, Timothy; Médebielle, Maurice","Access to cyclic gem-difluoroacyl scaffolds via electrochemical and visible light photocatalytic radical tandem cyclization of heteroaryl chlorodifluoromethyl ketones","Chem. Commun.","2017","","","","","10.1039/C7CC02979A","","","0.71069","MoKα","","0.1476","0.0738","","0.0767","0.0594","0.0532","","","","","","1.119","","","","has coordinates","195896","2020-10-21","18:00:00",""
"7120057","7.4538","0.0009","9.224","0.002","10.1161","0.0015","72.845","0.017","78.348","0.011","73.761","0.015","632.6","0.2","293","","293","","","","","","","","","5","P -1","-P 1","2","","","","- C15 H13 F2 N O2 -","- C15 H13 F2 N O2 -","- C30 H26 F4 N2 O4 -","2","1","","Adouama, Chérif; Keyrouz, Robert; pilet, guillaume; Monnereau, Cyrille; Gueyrard, David; Noel, Timothy; Médebielle, Maurice","Access to cyclic gem-difluoroacyl scaffolds via electrochemical and visible light photocatalytic radical tandem cyclization of heteroaryl chlorodifluoromethyl ketones","Chem. Commun.","2017","","","","","10.1039/C7CC02979A","","","0.71069","MoKα","","0.215","0.0923","","0.0949","0.0582","0.0475","","","","","","1.1222","","","","has coordinates","195896","2020-10-21","18:00:00",""
"7120058","8.99567","0.00015","20.3803","0.0003","8.08882","0.00013","90","","102.546","0.0016","90","","1447.55","0.04","","","","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","(E)-(3-oxoisobenzofuran-1(3H)-ylidene)methyl 4-methylbenzenesulfonate","","- C16 H12 O5 S -","- C16 H12 O5 S -","- C64 H48 O20 S4 -","4","1","","Ji, Wei-Wei; Lin, E.; Li, Qingjiang; Wang, Honggen","Heteroannulation Enabled by a Bimetallic Rh(III)/Ag(I) Relay Catalysis: Application in Total Synthesis of Aristolactams BII","Chem. Commun.","2017","","","","","10.1039/C7CC02105D","","x-ray","1.54184","CuKα","","0.0408","0.0385","","","0.1076","0.1099","","","","","","1.0436","","","","has coordinates","195897","2020-10-21","18:00:00",""
"7120059","7.83191","0.00019","12.3569","0.0003","22.7654","0.0005","104.436","0.0019","97.8284","0.0019","93.8331","0.0019","2102.05","0.09","","","","","","","","","","","","4","P -1","-P 1","2","","(E)-(3-oxo-2-tosylisoindolin-1-ylidene)methyl 4-methylbenzenesulfonate","","- C10.222 N0.444 O2.667 S0.889 -","- C10.2222 N0.444444 O2.66667 S0.888889 -","- C92 N4 O24 S8 -","9","4.5","","Ji, Wei-Wei; Lin, E.; Li, Qingjiang; Wang, Honggen","Heteroannulation Enabled by a Bimetallic Rh(III)/Ag(I) Relay Catalysis: Application in Total Synthesis of Aristolactams BII","Chem. Commun.","2017","","","","","10.1039/C7CC02105D","","x-ray","1.54184","CuKα","","0.0943","0.0899","","","0.2412","0.2468","","","","","","0.9913","","","","has coordinates","195897","2020-10-21","18:00:00",""
"7120060","7.1804","0.0002","15.7374","0.0005","8.4332","0.0003","90","","110.775","0.001","90","","891","0.05","100","1","100","1","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C11 H11 N O -","- C11 H11 N O -","- C44 H44 N4 O4 -","4","1","","Beaud, Rodolphe; Nandi, Raj Kumar; Pérez-Luna, Alejandro; Guillot, Régis; Gori, Didier; Kouklovsky, Cyrille; Ghermani, Nour Eddine; Gandon, Vincent; Vincent, Guillaume","Revealing the Electrophilicity of N-Ac Indoles with FeCl3: a mechanistic study","Chem. Commun.","2017","","","","","10.1039/C7CC02756G","","","0.71069","MoKα","","0.0581","0.0256","","","0.0451","0.0556","","","","","","0.995","","","","has coordinates","195942","2020-10-21","18:00:00",""
"7120061","7.2974","0.0003","19.7534","0.0008","15.4873","0.0006","90","","101.063","0.002","90","","2190.98","0.15","100","1","100","1","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C22 H22 Cl3 Fe N2 O2 -","- C22 H22 Cl3 Fe N2 O2 -","- C88 H88 Cl12 Fe4 N8 O8 -","4","1","","Beaud, Rodolphe; Nandi, Raj Kumar; Pérez-Luna, Alejandro; Guillot, Régis; Gori, Didier; Kouklovsky, Cyrille; Ghermani, Nour Eddine; Gandon, Vincent; Vincent, Guillaume","Revealing the Electrophilicity of N-Ac Indoles with FeCl3: a mechanistic study","Chem. Commun.","2017","","","","","10.1039/C7CC02756G","","","0.71069","MoKα","","0.0546","0.0263","","","0.0488","0.0595","","","","","","0.978","","","","has coordinates","195942","2020-10-21","18:00:00",""
"7120062","20.362","0.002","6.3138","0.0007","16.3787","0.0018","90","","95.2864","0.0016","90","","2096.7","0.4","173","","173","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C10 H10 Br2 O2 -","- C10 H10 Br2 O2 -","- C80 H80 Br16 O16 -","8","2","","Moriyama, Katsuhiko; Hamada, Tsukasa; Nakamura, Yu; togo, hideo","Catalytic Dehydrogenative Dual Functionalization of Ethers: Dealkylation‒Oxidation‒Bromination Accompanied by C‒O Bond Cleavage via Aerobic Oxidation of Bromide","Chem. Commun.","2017","","","","","10.1039/C7CC02166F","","","0.71073","MoKα","","0.0642","0.0357","","","0.0572","0.0635","","","","","","1.04","","","","has coordinates","195943","2020-10-21","18:00:00",""
"7120063","9.1322","0.0005","13.2783","0.0008","29.9295","0.0017","90","","90","","90","","3629.3","0.4","296","2","296","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C35 H42 Br N O7 S -","- C35 H42 Br N O7 S -","- C140 H168 Br4 N4 O28 S4 -","4","1","","Zhang, Junliang; Wu, Xingxing; Zhou, Wei; Wu, Hai-Hong","Enantioselective [3+2] Cycloaddition of Azomethine Ylides and Aldehydes via Ni/Bis(oxazoline)-Catalyzed Ring Opening of N-Tosylaziridines through Chirality Transfer Approach","Chem. Commun.","2017","","","","","10.1039/C7CC02906C","","","0.71073","MoKα","","0.0745","0.0446","","","0.0959","0.1088","","","","","","1.015","","","","has coordinates","195944","2020-10-21","18:00:00",""
"7120064","9.8186","0.0005","9.2688","0.0005","10.8223","0.0005","90","","99.2433","0.0018","90","","972.11","0.09","103","2","103","2","","","","","","","","7","P 1 21 1","P 2yb","4","","","","- C20 H18 As Au Cl N O2 -","- C20 H18 As Au Cl N O2 -","- C40 H36 As2 Au2 Cl2 N2 O4 -","2","1","","Tay, Wee Shan; Yang, Xiangyuan; Li, Yongxin; Pullarkat, Sumod A.; Leung, Pak-Hing","Nickel Catalyzed Enantioselective Hydroarsination of Nitrostyrene","Chem. Commun.","2017","","","","","10.1039/C7CC02044A","","","0.71073","MoKα","","0.0421","0.0348","","","0.0675","0.0706","","","","","","1.029","","","","has coordinates","195945","2020-10-21","18:00:00",""
"7120065","22.8062","0.001","7.2736","0.0003","14.7805","0.0006","90","","97.3343","0.0005","90","","2431.78","0.18","180","2","180.45","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C29 H21 N3 O4 U -","- C29 H21 N3 O4 U -","- C116 H84 N12 O16 U4 -","4","1","","Hardy, Emily Elizabeth; Wyss, Kevin M.; Eddy, Madeleine A.; Gorden, Anne E. V.","An Example of Unusual Pyridine Donor Schiff Base Uranyl (UO22+) Complexes","Chem. Commun.","2017","","","","","10.1039/C7CC02747H","","","0.71073","MoKα","","0.0427","0.0359","","","0.0726","0.0755","","","","","","1.0836","","","","has coordinates","195946","2020-10-21","18:00:00",""
"7120066","13.9974","0.0003","23.5111","0.0005","23.6244","0.0005","90","","90","","90","","7774.7","0.3","180","2","180","2","","","","","","","","5","P c c n","-P 2ab 2ac","56","","","","- C40 H52 N3 O4 U -","- C39 H52 N4 O4 U -","- C312 H416 N32 O32 U8 -","8","1","","Hardy, Emily Elizabeth; Wyss, Kevin M.; Eddy, Madeleine A.; Gorden, Anne E. V.","An Example of Unusual Pyridine Donor Schiff Base Uranyl (UO22+) Complexes","Chem. Commun.","2017","","","","","10.1039/C7CC02747H","","","0.71073","MoKα","","0.0569","0.0305","","","0.0619","0.0699","","","","","","1.01","","","","has coordinates","195946","2020-10-21","18:00:00",""
"7120067","10.11","0.005","11.948","0.005","29.299","0.014","90","","90","","90","","3539","3","223","","223","","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","(R,R)-4,6-Bis(1-(pyren-1-ylamino)propyl)dibenzo[b,d]furan","","- C50 H38 N2 O -","- C50 H38 N2 O -","- C200 H152 N8 O4 -","4","1","","Ito, Suguru; Ikeda, Kengo; Nakanishi, Shoma; Imai, Yoshitane; Asami, Masatoshi","Concentration-dependent circularly polarized luminescence (CPL) of chiral N,N’-dipyrenyldiamines: sign-inverted CPL switching between the monomer and excimer region under retention of the monomer emission for the photoluminescence","Chem. Commun.","2017","","","","","10.1039/C7CC01351E","","","0.71075","MoKα","","0.1303","0.0834","","","0.142","0.1639","","","","","","1.114","","","","has coordinates","195947","2020-10-21","18:00:00",""
"7120068","10.136","0.003","11.918","0.004","29.359","0.008","90","","90","","90","","3546.6","1.9","223","","223","","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","(S,S)-4,6-Bis(1-(pyren-1-ylamino)propyl)dibenzo[b,d]furan","","- C50 H38 N2 O -","- C50 H38 N2 O -","- C200 H152 N8 O4 -","4","1","","Ito, Suguru; Ikeda, Kengo; Nakanishi, Shoma; Imai, Yoshitane; Asami, Masatoshi","Concentration-dependent circularly polarized luminescence (CPL) of chiral N,N’-dipyrenyldiamines: sign-inverted CPL switching between the monomer and excimer region under retention of the monomer emission for the photoluminescence","Chem. Commun.","2017","","","","","10.1039/C7CC01351E","","","0.71075","MoKα","","0.1874","0.1004","","","0.1714","0.2128","","","","","","1.064","","","","has coordinates","195947","2020-10-21","18:00:00",""
"7120069","9.3424","0.0006","11.0134","0.0007","12.4684","0.0007","90","","111.126","0.003","90","","1196.67","0.13","100","","100","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","bis((u2-chloro)-(eta8-cyclooctatetraenyl)-bis(tetrahydrofuran)-erbium)","","- C24 H32 Cl2 Er2 O2 -","- C24 H32 Cl2 Er2 O2 -","- C48 H64 Cl4 Er4 O4 -","2","0.5","","Hilgar, Jeremy; Flores, Brandon S.; Rinehart, Jeffrey D.","Ferromagnetic coupling in a chloride-bridged erbium single-molecule magnet","Chem. Commun.","2017","","","","","10.1039/C7CC02356A","","","0.71073","MoKα","","0.0343","0.0325","","","0.0837","0.0852","","","","","","1.028","","","","has coordinates","196202","2020-10-21","18:00:00",""
"7120070","6.2782","0.0003","7.1917","0.0003","12.492","0.0006","86.275","0.004","75.966","0.004","66.086","0.004","499.86","0.04","100.01","0.11","100.01","0.11","","","","","","","","4","P -1","-P 1","2","","","","- C12 H12 O2 S -","- C12 H12 O2 S -","- C24 H24 O4 S2 -","2","1","","Barrett, Matthew J.; Khan, Ghulam Fatima; Davies, Paul; Grainger, Richard S.","Alkynyl sulfoxides as α-sulfinyl carbene equivalents: Gold-catalysed oxidative cyclopropanation","Chem. Commun.","2017","","","","","10.1039/C7CC02244A","","x-ray","1.54184","CuKα","","0.04","0.0391","","","0.0964","0.0967","","","","","","1.175","","","","has coordinates","196203","2020-10-21","18:00:00",""
"7120071","10.8728","0.0017","8.4539","0.0011","13.6191","0.0018","90","","98.521","0.004","90","","1238","0.3","320","2","320","2","","","","","","","","5","P 1 21/m 1","-P 2yb","11","","","","- C16 H24 Cd I4 N2 -","- C16 H24 Cd I4 N2 -","- C32 H48 Cd2 I8 N4 -","2","0.5","","Huang, Bo; Sun, Lin-Ying; Wang, Sha-Sha; Zhang, Jianyu; Ji, Chengmin; Luo, Junhua; Zhang, Wei-Xiong; Chen, Xiao-Ming","A near-room-temperature organic-inorganic hybrid molecular ferroelectric: [C6H5CH2CH2NH3]2[CdI4]","Chem. Commun.","2017","","","","","10.1039/C7CC02408H","","","0.71073","MoKα","","0.082","0.0704","","","0.1979","0.2099","","","","","","1.221","","","","has coordinates,has disorder","196204","2020-10-21","18:00:00",""
"7120072","10.7635","0.0012","8.4013","0.0008","13.5791","0.0013","90","","98.698","0.003","90","","1213.8","0.2","220","2","220","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C16 H24 Cd I4 N2 -","- C16 H24 Cd I4 N2 -","- C32 H48 Cd2 I8 N4 -","2","1","","Huang, Bo; Sun, Lin-Ying; Wang, Sha-Sha; Zhang, Jianyu; Ji, Chengmin; Luo, Junhua; Zhang, Wei-Xiong; Chen, Xiao-Ming","A near-room-temperature organic-inorganic hybrid molecular ferroelectric: [C6H5CH2CH2NH3]2[CdI4]","Chem. Commun.","2017","","","","","10.1039/C7CC02408H","","","0.71073","MoKα","","0.0453","0.0415","","","0.1022","0.1076","","","","","","1.058","","","","has coordinates,has disorder","196204","2020-10-21","18:00:00",""
"7120073","16.8922","0.0004","14.6238","0.0003","10.6886","0.0002","90","","108.676","0.001","90","","2501.35","0.09","190","2","190","2","","","","","","","","6","C 1 2 1","C 2y","5","","","","- C27 H19 F5 N P S -","- C27 H19 F5 N P S -","- C108 H76 F20 N4 P4 S4 -","4","1","","Chen, Yuan-Hui; Xu, Xu-Long; Han, Fu-She","Efficient Synthesis of Cyclic P-Stereogenic Phosphinamides from Acyclic Chiral Precursors via Radical Oxidative Intramolecular Aryl C‒H Phosphinamidation","Chem. Commun.","2017","","","","","10.1039/C7CC02263H","","","1.54178","CuKα","","0.0452","0.0409","","","0.1045","0.1074","","","","","","1.058","","","","has coordinates","196205","2020-10-21","18:00:00",""
"7120074","9.8498","0.0006","10.4837","0.0007","13.489","0.0009","103.664","0.001","110.724","0.001","101.721","0.001","1201.25","0.14","273","2","273","2","","","","","","","","6","P -1","-P 1","2","","","","- C27 H19 F5 N O4 P -","- C27 H19 F5 N O4 P -","- C54 H38 F10 N2 O8 P2 -","2","1","","Chen, Yuan-Hui; Xu, Xu-Long; Han, Fu-She","Efficient Synthesis of Cyclic P-Stereogenic Phosphinamides from Acyclic Chiral Precursors via Radical Oxidative Intramolecular Aryl C‒H Phosphinamidation","Chem. Commun.","2017","","","","","10.1039/C7CC02263H","","","0.71073","MoKα","","0.124","0.1003","","","0.2948","0.3219","","","","","","1.028","","","","has coordinates","196205","2020-10-21","18:00:00",""
"7120075","5.3164","0.0001","11.583","0.0003","17.1059","0.0004","84.2779","0.0012","82.5641","0.0012","85.7426","0.0012","1037.31","0.04","296","2","296","2","","","","","","","","4","P -1","-P 1","2","","","","- C22 H24 N4 O4 -","- C22 H24 N4 O4 -","- C44 H48 N8 O8 -","2","1","","Srivastava, Bhartendu K.; Manheri, Muraleedharan K.","Towards a fragment-based approach in gelator design: halogen effects leading to thixotropic, mouldable and self-healing systems in aryl-triazolyl amino acid-based gelators!","Chemical communications (Cambridge, England)","2017","53","32","4485","4488","10.1039/c7cc00980a","","","0.71073","MoKα","","0.0617","0.0408","","","0.0974","0.1112","","","","","","1.012","","","","has coordinates","196212","2020-10-21","18:00:00",""
"7120076","10.426","0.001","13.8793","0.0012","27.409","0.002","90","","90","","90","","3966.2","0.6","100","2","100","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C14 H36 B2 N2 P2 -","- C14 H36 B2 N2 P2 -","- C112 H288 B16 N16 P16 -","8","2","","Prades, Amparo; Núñez-Pertíñez, Samuel; Riera, Antoni; Verdaguer, Xavier","P-Stereogenic bisphosphines with a hydrazine backbone: from N-N atropoisomerism to double nitrogen inversion.","Chemical communications (Cambridge, England)","2017","53","33","4605","4608","10.1039/c7cc01944k","","","0.71073","MoKα","","0.0441","0.0376","","","0.1032","0.1112","","","","","","0.81","","","","has coordinates,has disorder","196213","2020-10-21","18:00:00",""
"7120077","6.7712","0.0004","21.3766","0.0014","6.9819","0.0004","90","","114.052","0.0016","90","","922.85","0.1","100","2","100","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C12 H36 B2 N2 P2 -","- C12 H36 B2 N2 P2 -","- C24 H72 B4 N4 P4 -","2","1","","Prades, Amparo; Núñez-Pertíñez, Samuel; Riera, Antoni; Verdaguer, Xavier","P-Stereogenic bisphosphines with a hydrazine backbone: from N-N atropoisomerism to double nitrogen inversion.","Chemical communications (Cambridge, England)","2017","53","33","4605","4608","10.1039/c7cc01944k","","","0.71073","MoKα","","0.0389","0.0353","","","0.0856","0.0881","","","","","","1.053","","","","has coordinates","196213","2020-10-21","18:00:00",""
"7120078","12.9259","0.00014","12.42237","0.00013","18.1785","0.0002","90","","107.055","0.0012","90","","2790.57","0.06","100","2","100","2","","","","","","","","7","P 1 21 1","P 2yb","4","","","","- C54 H54 B F24 N2 P2 Rh -","- C54 H54 B F24 N2 P2 Rh -","- C108 H108 B2 F48 N4 P4 Rh2 -","2","1","","Prades, Amparo; Núñez-Pertíñez, Samuel; Riera, Antoni; Verdaguer, Xavier","P-Stereogenic bisphosphines with a hydrazine backbone: from N-N atropoisomerism to double nitrogen inversion.","Chemical communications (Cambridge, England)","2017","53","33","4605","4608","10.1039/c7cc01944k","","","0.7107","MoKα","","0.0204","0.0198","","","0.0529","0.0531","","","","","","1.052","","","","has coordinates,has disorder","196213","2020-10-21","18:00:00",""
"7120079","12.9151","0.0014","20.3651","0.0014","7.0543","0.0006","90","","90","","90","","1855.4","0.3","180","2","180","2","","","","","","","","7","C m c 21","C 2c -2","36","","","","- C8 H12 Ca F8 N4 O2 P2 -","- C8 H12 Ca F8 N4 O2 P2 -","- C32 H48 Ca4 F32 N16 O8 P8 -","4","0.5","","Keyzer, Evan N.; Matthews, Peter D.; Liu, Zigeng; Bond, Andrew D.; Grey, Clare P.; Wright, Dominic S.","Synthesis of Ca(PF6)2, formed via nitrosonium oxidation of calcium.","Chemical communications (Cambridge, England)","2017","53","33","4573","4576","10.1039/c7cc01938f","","","1.54178","CuKα","","0.0439","0.0435","","","0.1165","0.117","","","","","","1.059","","","","has coordinates","196214","2020-10-21","18:00:00",""
"7120080","12.989","0.0004","13.1082","0.0004","13.8922","0.0004","100.396","0.0011","103.086","0.0011","91.607","0.0012","2260.21","0.12","180","2","180","2","","","","","","","","7","P -1","-P 1","2","","","","- C52 H98 Ca4 F36 N6 O20 P6 -","- C52 H98 Ca4 F36 N6 O20 P6 -","- C52 H98 Ca4 F36 N6 O20 P6 -","1","0.5","","Keyzer, Evan N.; Matthews, Peter D.; Liu, Zigeng; Bond, Andrew D.; Grey, Clare P.; Wright, Dominic S.","Synthesis of Ca(PF6)2, formed via nitrosonium oxidation of calcium.","Chemical communications (Cambridge, England)","2017","53","33","4573","4576","10.1039/c7cc01938f","","","1.54178","CuKα","","0.0841","0.0782","","","0.2048","0.2103","","","","","","1.079","","","","has coordinates","196214","2020-10-21","18:00:00",""
"7120081","28.1056","0.001","11.9971","0.0005","13.0595","0.0005","90","","90","","90","","4403.5","0.3","180","2","180","2","","","","","","","","6","P c a 21","P 2c -2ac","29","","","","- C12 H22 Ca F8 O8 P2 -","- C12 H22 Ca F8 O8 P2 -","- C96 H176 Ca8 F64 O64 P16 -","8","2","","Keyzer, Evan N.; Matthews, Peter D.; Liu, Zigeng; Bond, Andrew D.; Grey, Clare P.; Wright, Dominic S.","Synthesis of Ca(PF6)2, formed via nitrosonium oxidation of calcium.","Chemical communications (Cambridge, England)","2017","53","33","4573","4576","10.1039/c7cc01938f","","","1.54178","CuKα","","0.0684","0.0593","","","0.1521","0.1589","","","","","","1.043","","","","has coordinates","196214","2020-10-21","18:00:00",""
"7120082","12.7225","0.0006","13.4339","0.0006","21.7776","0.001","73.456","0.002","89.794","0.002","68.867","0.002","3307.5","0.3","180","2","180","2","","","","","","","","7","P -1","-P 1","2","","","","- C38 H72 Ca4 F28 N4 O15 P4 -","- C38 H72 Ca4 F28 N4 O15 P4 -","- C76 H144 Ca8 F56 N8 O30 P8 -","2","1","","Keyzer, Evan N.; Matthews, Peter D.; Liu, Zigeng; Bond, Andrew D.; Grey, Clare P.; Wright, Dominic S.","Synthesis of Ca(PF6)2, formed via nitrosonium oxidation of calcium.","Chemical communications (Cambridge, England)","2017","53","33","4573","4576","10.1039/c7cc01938f","","","1.54178","CuKα","","0.0589","0.051","","","0.1332","0.1388","","","","","","1.061","","","","has coordinates,has disorder","196214","2020-10-21","18:00:00",""
"7120083","27.523","0.004","39.478","0.005","42.338","0.007","90","","106.279","0.007","90","","44158","11","100","2","100","2","","","","","","","","8","C 1 2/c 1","-C 2yc","15","","","","- C180.5 H163 B8 Co4 F32 N36 O15.5 S -","- C180.5 H156 B6 Co4 F24 N36 O15.5 S -","- C1444 H1248 B48 Co32 F192 N288 O124 S8 -","8","1","","Wright, James S.; Metherell, Alexander J.; Cullen, William M.; Piper, Jerico R.; Dawson, Robert; Ward, Michael D.","Highly selective CO2vs. N2 adsorption in the cavity of a molecular coordination cage.","Chemical communications (Cambridge, England)","2017","53","31","4398","4401","10.1039/c7cc01959a","","","0.71073","MoKα","","0.1999","0.1637","","","0.4755","0.5147","","","","","","2.121","","","","has coordinates,has disorder","196215","2020-10-21","18:00:00",""
"7120084","9.93003","0.00015","10.15945","0.00019","35.2869","0.0006","90","","90","","90","","3559.87","0.1","120","1","120","1","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C38 H53 N3 Ni O4 -","- C38 H53 N3 Ni O4 -","- C152 H212 N12 Ni4 O16 -","4","1","","Wenz, Jan; Wadepohl, Hubert; Gade, Lutz H.","Regioselective hydrosilylation of epoxides catalysed by nickel(ii) hydrido complexes.","Chemical communications (Cambridge, England)","2017","53","31","4308","4311","10.1039/c7cc01655g","","x-ray","1.54184","CuKα","","0.0451","0.0391","","","0.081","0.0836","","","","","","1.056","","","","has coordinates","196216","2020-10-21","18:00:00",""
"7120085","11.68973","0.00013","11.68973","0.00013","54.0604","0.0008","90","","90","","90","","7387.34","0.16","120","1","120","1","","","","","","","","6","P 41","P 4w","76","","","","- C28 H30 F N3 Ni O2 -","- C28 H30 F N3 Ni O2 -","- C336 H360 F12 N36 Ni12 O24 -","12","3","","Wenz, Jan; Wadepohl, Hubert; Gade, Lutz H.","Regioselective hydrosilylation of epoxides catalysed by nickel(ii) hydrido complexes.","Chemical communications (Cambridge, England)","2017","53","31","4308","4311","10.1039/c7cc01655g","","x-ray","0.71073","MoKα","","0.0522","0.0417","","","0.0666","0.0698","","","","","","1.035","","","","has coordinates","196216","2020-10-21","18:00:00",""
"7120086","12.615","0.005","9.87","0.004","19.82","0.009","90","","102.263","0.01","90","","2411.5","1.8","173.15","","173.15","","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C31 H24 Br N O -","- C31 H24 Br N O -","- C124 H96 Br4 N4 O4 -","4","2","","Zhang, Zhao-Fei; Chen, Kun-Quan; Zhang, Chun-Lin; Ye, Song","N-heterocyclic carbene-catalyzed synthesis of spirocyclopentene-oxindoles from bromoenals.","Chemical communications (Cambridge, England)","2017","53","31","4327","4330","10.1039/c6cc10304a","","","0.71073","MoKα","","0.1248","0.1015","","","0.1448","0.155","","","","","","1.165","","","","has coordinates","196217","2020-10-21","18:00:00",""
"7120087","12.036","0.006","12.136","0.006","15.462","0.008","88.24","0.02","88.46","0.02","61.525","0.018","1984.2","1.8","298","","298","","","","","","","","","7","P -1","-P 1","2","","","","- C40 H25 F3 Fe I4 N5 O2 -","- C40 H25 F3 Fe I4 N5 O2 -","- C80 H50 F6 Fe2 I8 N10 O4 -","2","1","","Jeon, Ie-Rang; Jeannin, Olivier; Clérac, Rodolphe; Rouzières, Mathieu; Fourmigué, Marc","Spin-state modulation of molecular Fe(III) complexes via inclusion in halogen-bonded supramolecular networks.","Chemical communications (Cambridge, England)","2017","53","36","4989","4992","10.1039/c7cc01943b","","","0.71073","MoKα","","0.0741","0.0522","","","0.131","0.149","","","","","","1.109","","","","has coordinates","196218","2020-10-21","18:00:00",""
"7120088","11.93","0.005","12.043","0.005","15.325","0.008","87.97","0.03","87.94","0.02","61.717","0.014","1937.3","1.5","293","2","293.15","","","","","","","","","7","P -1","-P 1","2","","","","- C40 H25 F3 Fe I4 N5 O2 -","- C40 H25 F3 Fe I4 N5 O2 -","- C80 H50 F6 Fe2 I8 N10 O4 -","2","1","","Jeon, Ie-Rang; Jeannin, Olivier; Clérac, Rodolphe; Rouzières, Mathieu; Fourmigué, Marc","Spin-state modulation of molecular Fe(III) complexes via inclusion in halogen-bonded supramolecular networks.","Chemical communications (Cambridge, England)","2017","53","36","4989","4992","10.1039/c7cc01943b","","","0.71073","MoKα","","0.0293","0.0231","","","0.0476","0.0495","","","","","","1.064","","","","has coordinates","196218","2020-10-21","18:00:00",""
"7120089","15.329","0.002","11.1082","0.0013","22.03","0.003","90","","99.428","0.006","90","","3700.5","0.8","298","","298","","","","","","","","","8","P 1 21/c 1","-P 2ybc","14","","","","- C38 H22 Cl F3 Fe I3 N4 O2 -","- C38 H22 Cl F3 Fe I3 N4 O2 -","- C152 H88 Cl4 F12 Fe4 I12 N16 O8 -","4","1","","Jeon, Ie-Rang; Jeannin, Olivier; Clérac, Rodolphe; Rouzières, Mathieu; Fourmigué, Marc","Spin-state modulation of molecular Fe(III) complexes via inclusion in halogen-bonded supramolecular networks.","Chemical communications (Cambridge, England)","2017","53","36","4989","4992","10.1039/c7cc01943b","","","0.71073","MoKα","","0.0928","0.0605","","","0.1136","0.1384","","","","","","1.131","","","","has coordinates","196218","2020-10-21","18:00:00",""
"7120090","32.99","0.02","8.951","0.005","21.269","0.015","90","","110.76","0.02","90","","5873","6","293","2","293","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C33 H28 Cl Fe N4 O4 -","- C33 H26 Cl Fe N4 O4 -","- C264 H208 Cl8 Fe8 N32 O32 -","8","1","","Jeon, Ie-Rang; Jeannin, Olivier; Clérac, Rodolphe; Rouzières, Mathieu; Fourmigué, Marc","Spin-state modulation of molecular Fe(III) complexes via inclusion in halogen-bonded supramolecular networks.","Chemical communications (Cambridge, England)","2017","53","36","4989","4992","10.1039/c7cc01943b","","x-ray","0.71073","MoKα","","0.2309","0.1553","","","0.3315","0.3649","","","","","","1.137","","","","has coordinates","196218","2020-10-21","18:00:00",""
"7120091","15.196","0.003","11.037","0.003","21.847","0.005","90","","100.126","0.007","90","","3607.1","1.5","99.86","","99.86","","","","","","","","","8","P 1 21/c 1","-P 2ybc","14","","","","- C38 H22 Cl F3 Fe I3 N4 O2 -","- C38 H22 Cl F3 Fe I3 N4 O2 -","- C152 H88 Cl4 F12 Fe4 I12 N16 O8 -","4","1","","Jeon, Ie-Rang; Jeannin, Olivier; Clérac, Rodolphe; Rouzières, Mathieu; Fourmigué, Marc","Spin-state modulation of molecular Fe(III) complexes via inclusion in halogen-bonded supramolecular networks.","Chemical communications (Cambridge, England)","2017","53","36","4989","4992","10.1039/c7cc01943b","","","0.71073","MoKα","","0.0946","0.0674","","","0.1216","0.1339","","","","","","1.277","","","","has coordinates","196218","2020-10-21","18:00:00",""
"7120092","6.5747","0.0005","16.8602","0.0009","10.7211","0.0007","90","","93.733","0.007","90","","1185.92","0.14","293.23","0.1","293.23","0.1","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C28 H25 Cl O3 -","- C28 H25 Cl O3 -","- C56 H50 Cl2 O6 -","2","1","","Jia, Zhi-Long; Wang, Yao; Xu, Guo-Qiang; Xu, Peng-Fei","Kinetic resolution via supramolecular iminium catalysis: multiactivation enables the asymmetric synthesis of β-aryl substituted aldehydes and densely functionalized cyclohexanes.","Chemical communications (Cambridge, England)","2017","53","36","4938","4941","10.1039/c7cc01625e","","x-ray","0.71073","MoKα","","0.0959","0.0558","","","0.1042","0.1261","","","","","","1.034","","","","has coordinates","196219","2020-10-21","18:00:00",""
"7120093","6.7285","0.0002","12.4807","0.0004","17.2061","0.0008","107.908","0.0013","91.531","0.0015","99.84","0.002","1349.83","0.09","100","2","100","2","","","","","","","","4","P -1","-P 1","2","Para-tolyl substituted 1,4,9b-triazaphenalene","5-amino-2,8-bis-p-tolyl-1,4,9b-triazaphenalene-3,6,7,9-tetracarbonitrile","","- C32.5 H24 N8 O -","- C32.5 H20 N8 O -","- C65 H40 N16 O2 -","2","1","","Kuznetsov, Iliya E.; Susarova, Diana K.; Frolova, Lyubov A.; Peregudov, Alexander S.; Shestakov, Alexander F.; Troyanov, Sergey I.; Stevenson, Keith J.; Troshin, Pavel A.","Unprecedented thermal condensation of tetracyanocyclopropanes to triazaphenalenes: a facile route for the design of novel materials for electronic applications.","Chemical communications (Cambridge, England)","2017","53","35","4830","4833","10.1039/c6cc10179h","","","0.905","synchrotron","","0.1136","0.107","","","0.2788","0.2806","","","","","","1.071","","","","has coordinates","196220","2020-10-21","18:00:00",""
"7120094","5.18168","0.00013","17.7177","0.0004","18.7318","0.0004","90","","90","","90","","1719.72","0.07","293","2","293","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C21 H22 O3 -","- C21 H22 O3 -","- C84 H88 O12 -","4","1","","Wang, Cheng-Yong; Pan, Gao-Hui; Chen, Fan; Li, Jin-Heng","Oxidative cyclization of 2-allenyl-1,1'-biphenyls with α-carbonyl alkyl bromides: facile access to functionalized phenanthrenes.","Chemical communications (Cambridge, England)","2017","53","34","4730","4733","10.1039/c7cc00483d","","","1.54184","CuKα","","0.0574","0.0513","","","0.1423","0.149","","","","","","1.066","","","","has coordinates","196221","2020-10-21","18:00:00",""
"7120095","29.251","0.003","7.0232","0.0007","16.65","0.0017","90","","122.044","0.001","90","","2899.4","0.5","90","","90","","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C15 H14 F3 N O2 -","- C15 H14 F3 N O2 -","- C120 H112 F24 N8 O16 -","8","1","","Tomita, Ren; Koike, Takashi; Akita, Munetaka","Photoredox-catalyzed oxytrifluoromethylation of allenes: stereoselective synthesis of 2-trifluoromethylated allyl acetates.","Chemical communications (Cambridge, England)","2017","53","34","4681","4684","10.1039/c7cc01759f","","","0.71073","MoKα","","0.0339","0.0308","","","0.0781","0.0804","","","","","","1.077","","","","has coordinates","196222","2020-10-21","18:00:00",""
"7120096","17.6171","0.0009","9.4154","0.0005","18.1381","0.0009","90","","101.356","0.001","90","","2949.7","0.3","123","2","123","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C34 H39 Co N2 P2 -","- C34 H39 Co N2 P2 -","- C136 H156 Co4 N8 P8 -","4","1","","Ben-Daat, Hagit; Rock, Christopher L.; Flores, Marco; Groy, Thomas L.; Bowman, Amanda C.; Trovitch, Ryan J.","Hydroboration of Alkynes and Nitriles Using an α-Diimine Cobalt Hydride Catalyst","Chem. Commun.","2017","","","","","10.1039/C7CC02281F","","","0.71073","MoKα","","0.0345","0.0275","","","0.0673","0.0715","","","","","","1.038","","","","has coordinates","196543","2020-10-21","18:00:00",""
"7120097","20.8163","0.0018","20.8163","0.0018","8.5798","0.0008","90","","90","","90","","3717.8","0.6","298","2","298","2","","","","","","","","4","P 42/n :2","-P 4bc","86","","","","- C21 H22 F2 O2 -","- C21 H22 F2 O2 -","- C168 H176 F16 O16 -","8","1","","Zhu, Yi-Long; Wang, Ai-Fang; Du, Jian-Yu; Leng, Bo-Rong; Tu, Shu-Jiang; Wang, Decai; Wei, Ping; Hao, Wen-Juan; Jiang, Bo","Ag-catalyzed difluorohydration of β-alkynyl ketones for diastereoselective synthesis of 1,5-diconboyl compounds","Chem. Commun.","2017","","","","","10.1039/C7CC02088K","","","0.71073","MoKα","","0.1647","0.0561","","","0.1822","0.2068","","","","","","1.036","","","","has coordinates","196544","2020-10-21","18:00:00",""
"7120098","10.6148","0.0008","10.7588","0.0009","15.7912","0.0013","99.78","0.002","97.338","0.002","105.44","0.003","1684.4","0.2","298","2","298","2","","","","","","","","5","P -1","-P 1","2","","","","- C19 H15 Cl F2 O2 -","- C19 H15 Cl F2 O2 -","- C76 H60 Cl4 F8 O8 -","4","2","","Zhu, Yi-Long; Wang, Ai-Fang; Du, Jian-Yu; Leng, Bo-Rong; Tu, Shu-Jiang; Wang, Decai; Wei, Ping; Hao, Wen-Juan; Jiang, Bo","Ag-catalyzed difluorohydration of β-alkynyl ketones for diastereoselective synthesis of 1,5-diconboyl compounds","Chem. Commun.","2017","","","","","10.1039/C7CC02088K","","","0.71073","MoKα","","0.1032","0.0588","","","0.1364","0.1541","","","","","","1.091","","","","has coordinates","196544","2020-10-21","18:00:00",""
"7120099","13.803","0.004","14.747","0.005","21.885","0.007","90","","108.236","0.005","90","","4231","2","296","2","296","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C27 H27 N O -","- C27 H27 N O -","- C216 H216 N8 O8 -","8","4","","Hu, Ming; Guo, Ling-Yu; Han, Ying; Tan, Fang-Lin; Song, Ren-Jie; Li, Jin-Heng","Intermolecular Cascade Annulations of N-(Arysulfonyl)acrylamides with Dual C(sp3)-H Bonds: Divergent Access to Indanes and Pyrrolidin-2-ones","Chem. Commun.","2017","","","","","10.1039/C7CC02608K","","","0.71073","MoKα","","0.1501","0.1329","","","0.3425","0.3549","","","","","","1.423","","","","has coordinates","196545","2020-10-21","18:00:00",""
"7120100","4.9228","0.0007","11.6856","0.0018","19.2004","0.0019","97.479","0.011","93.857","0.01","93.049","0.012","1090.5","0.3","295.35","0.1","295.35","0.1","","","","","","","","6","P -1","-P 1","2","BrPzIIG","(3E,3'E)-3,3'-(pyrazine-2,5-diylbis(methanylylidene))bis(6-bromo-1-octylindolin-2-one)","","- C20 H23 Br Cl3 N2 O -","- C20 H23 Br Cl3 N2 O -","- C40 H46 Br2 Cl6 N4 O2 -","2","1","","Zhang, Haoli; Li, Jiu-Long; Chai, Yunfei; Wang, Wei Vanessa; Shi, Zi-Fa; Xu, Zhu-Guo","Pyrazine-Fused Isoindigo: A New Building Block for Polymer Solar Cells with High Open Circuit Voltage","Chem. Commun.","2017","","","","","10.1039/C7CC01973D","","x-ray","0.71073","MoKα","","0.1194","0.0637","","","0.0921","0.1165","","","","","","0.974","","","","has coordinates,has disorder","196547","2020-10-21","18:00:00",""
"7120101","5.751","0.0011","8.2449","0.0013","11.8285","0.0019","103.379","0.004","99.477","0.005","95.776","0.005","532.54","0.16","123","","123","","","","","","","","","5","P -1","-P 1","2","","1RBlue","","- C11 H8 Au N S -","- C11 H8 Au N S -","- C22 H16 Au2 N2 S2 -","2","1","","Seki, Tomohiro; Kobayashi, Koh; Ito, Hajime","Low-Temperature-Selective Luminescent Mechanochromism of a Thienyl Gold Isocyanide Complex","Chem. Commun.","2017","","","","","10.1039/C7CC03190D","","","0.71075","MoKα","","0.1394","0.0776","","","0.1926","0.2775","","","","","","1.136","","","","has coordinates,has disorder","196603","2020-10-21","18:00:00",""
"7120102","5.85","0.003","8.472","0.004","11.703","0.006","102.488","0.01","99.645","0.009","96.731","0.009","551.1","0.5","298","","298","","","","","","","","","5","P -1","-P 1","2","","1R","","- C11 H8 Au N S -","- C11 H8 Au N S -","- C22 H16 Au2 N2 S2 -","2","1","","Seki, Tomohiro; Kobayashi, Koh; Ito, Hajime","Low-Temperature-Selective Luminescent Mechanochromism of a Thienyl Gold Isocyanide Complex","Chem. Commun.","2017","","","","","10.1039/C7CC03190D","","","0.71075","MoKα","","0.1752","0.0725","","","0.1296","0.1666","","","","","","0.978","","","","has coordinates,has disorder","196603","2020-10-21","18:00:00",""
"7120103","49.45","0.02","15.293","0.011","7.3526","0.0014","90","","91.49","0.03","90","","5558","5","100","","100","","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C130 H174 O6 -","- C130 H174 O6 -","- C260 H348 O12 -","2","0.5","","Zhu, Chongwei; Wang, Tsai-Hui; Su, Chien-Jhang; Lee, Shern-Long; Rives, Arnaud; Duhayon, Carine; Kauffmann, Brice; Maraval, Valérie; CHEN, Chun-hsien; Hsu, Hsiu-Fu; Chauvin, Remi","3D and 2D Supramolecular Assemblies and Thermotropic Behavior of a Carbo-benzenic Mesogen","Chem. Commun.","2017","","","","","10.1039/C7CC02430D","","","1.54184","CuKα","","0.3147","0.2568","","0.3463","0.2735","0.268","","","","","","0.9377","","","","has coordinates","196604","2020-10-21","18:00:00",""
"7120104","5.081","0.0003","24.7309","0.0012","14.5097","0.001","90","","99.007","0.005","90","","1800.77","0.19","200","2","200","2","","","","","","","","6","P 1 21 1","P 2yb","4","","poly(disilver-dimethionine-dinitrate) dihydrate","","- C20 H48 Ag2 N6 O16 S4 -","- C20 H48 Ag2 N6 O16 S4 -","- C40 H96 Ag4 N12 O32 S8 -","2","1","","Chabert, Valentin; Hologne, Maggy; Seneque, Olivier; Crochet, Aurelien; Walker, Olivier; Fromm, Katharina","Model Peptide Studies of Ag+ Binding Sites from the Silver Resistance Protein SilE","Chem. Commun.","2017","","","","","10.1039/C7CC02630G","","x-ray","0.71073","MoKα","","0.1164","0.0864","","","0.2272","0.2525","","","","","","1.019","","","","has coordinates","196699","2020-10-21","18:00:00",""
"7120105","12.7841","0.0007","13.6797","0.0008","19.6984","0.0011","102.002","0.005","98.529","0.005","110.113","0.005","3072.2","0.3","150","","150","","","","","","","","","9","P -1","-P 1","2","","","","- C59 H69 Al B Cl F15 K N2 O2 -","- C59 H69 Al B Cl F15 K N2 O2 -","- C118 H138 Al2 B2 Cl2 F30 K2 N4 O4 -","2","1","","Abdalla, Joseph A. B.; Tirfoin, Rémi C.; Niu, Haoyu; Aldridge, Simon","A zwitterionic hydrocarbon-soluble borenium ion based on a β-diketiminate backbone","Chem. Commun.","2017","","","","","10.1039/C7CC03121A","","","1.5418","CuKα","","0.0967","0.0731","","0.2051","0.1883","0.205","","","","","","0.9985","","","","has coordinates,has disorder","196700","2020-10-21","18:00:00",""
"7120106","18.4434","0.0002","17.7597","0.0002","17.6898","0.0002","90","","90","","90","","5794.28","0.11","150","","150","","","","","","","","","6","P n a 21","P 2c -2n","33","","","","- C57 H55 B2 F15 N2 O -","- C57 H55 B2 F15 N2 O -","- C228 H220 B8 F60 N8 O4 -","4","1","","Abdalla, Joseph A. B.; Tirfoin, Rémi C.; Niu, Haoyu; Aldridge, Simon","A zwitterionic hydrocarbon-soluble borenium ion based on a β-diketiminate backbone","Chem. Commun.","2017","","","","","10.1039/C7CC03121A","","","1.5418","CuKα","","0.0314","0.0298","","0.0807","0.0784","0.0807","","","","","","0.9867","","","","has coordinates","196700","2020-10-21","18:00:00",""
"7120107","11.3489","0.0003","12.4418","0.0004","21.2535","0.0005","77.338","0.002","81.922","0.002","81.571","0.002","2878.07","0.14","150","","150","","","","","","","","","7","P -1","-P 1","2","","","","- C58 H62 Al B F15 N2 O -","- C58 H62 Al B F15 N2 O -","- C116 H124 Al2 B2 F30 N4 O2 -","2","1","","Abdalla, Joseph A. B.; Tirfoin, Rémi C.; Niu, Haoyu; Aldridge, Simon","A zwitterionic hydrocarbon-soluble borenium ion based on a β-diketiminate backbone","Chem. Commun.","2017","","","","","10.1039/C7CC03121A","","","1.5418","CuKα","","0.0605","0.0513","","0.1365","0.1285","0.1361","","","","","","0.9699","","","","has coordinates","196700","2020-10-21","18:00:00",""
"7120108","20.4925","0.0002","10.7426","0.0001","37.1031","0.0005","90","","93.3411","0.0005","90","","8154.09","0.16","150","","150","","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C41 H41 B2 Cl3 F10 N2 -","- C41 H41 B2 Cl3 F10 N2 -","- C328 H328 B16 Cl24 F80 N16 -","8","1","","Abdalla, Joseph A. B.; Tirfoin, Rémi C.; Niu, Haoyu; Aldridge, Simon","A zwitterionic hydrocarbon-soluble borenium ion based on a β-diketiminate backbone","Chem. Commun.","2017","","","","","10.1039/C7CC03121A","","","0.71073","MoKα","","0.0985","0.0534","","0.1031","0.0764","0.1031","","","","","","0.9876","","","","has coordinates","196700","2020-10-21","18:00:00",""
"7120109","19.1181","0.0002","19.0706","0.0002","21.2422","0.0002","90","","90","","90","","7744.77","0.14","150","","150","","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C41 H51 B2 Cl3 N2 -","- C41 H51 B2 Cl3 N2 -","- C328 H408 B16 Cl24 N16 -","8","1","","Abdalla, Joseph A. B.; Tirfoin, Rémi C.; Niu, Haoyu; Aldridge, Simon","A zwitterionic hydrocarbon-soluble borenium ion based on a β-diketiminate backbone","Chem. Commun.","2017","","","","","10.1039/C7CC03121A","","","1.5418","CuKα","","0.0502","0.0398","","0.0994","0.0939","0.0994","","","","","","1.0381","","","","has coordinates,has disorder","196700","2020-10-21","18:00:00",""
"7120110","12.595","0.0006","13.166","0.0004","18.5809","0.0007","81.014","0.003","70.991","0.004","89.338","0.003","2874.9","0.2","150","","150","","","","","","","","","7","P -1","-P 1","2","","","","- C52 H54 B Cl2 F15 Ga N3 -","- C52 H54 B Cl2 F15 Ga N3 -","- C104 H108 B2 Cl4 F30 Ga2 N6 -","2","1","","Abdalla, Joseph A. B.; Tirfoin, Rémi C.; Niu, Haoyu; Aldridge, Simon","A zwitterionic hydrocarbon-soluble borenium ion based on a β-diketiminate backbone","Chem. Commun.","2017","","","","","10.1039/C7CC03121A","","","1.5418","CuKα","","0.1243","0.1165","","0.3152","0.3071","0.3152","","","","","","0.9959","","","","has coordinates,has disorder","196700","2020-10-21","18:00:00",""
"7120111","4.5735","0.0001","17.4178","0.0004","27.7382","0.0007","101.062","0.002","93.619","0.002","90.377","0.002","2163.86","0.09","100","2","100.01","","","","","","","","","5","P -1","-P 1","2","","","","- C53 H34.5 Cd N5.5 O10 -","- C53 H34.5 Cd N5.5 O10 -","- C106 H69 Cd2 N11 O20 -","2","1","","Hawes, Chris S.; Lynes, Amy D.; Byrne, Kevin; Schmitt, Wolfgang; Ryan, Gavin; Möbius, Matthias E.; Gunnlaugsson, Thorfinnur","A resilient and luminescent stimuli-responsive hydrogel from a heterotopic 1,8-naphthalimide-derived ligand","Chem. Commun.","2017","","","","","10.1039/C7CC03482B","","","1.54178","CuKα","","0.0599","0.0539","","","0.1359","0.1407","","","","","","1.052","","","","has coordinates,has disorder","196701","2020-10-21","18:00:00",""
"7120112","4.6567","0.0002","15.5275","0.0005","17.3063","0.0006","66.486","0.001","85.011","0.002","82.452","0.002","1136.69","0.07","100","2","100","","","","","","","","","5","P -1","-P 1","2","","","","- C50 H30 Cd N4 O10 -","- C50 H30 Cd N4 O10 -","- C50 H30 Cd N4 O10 -","1","0.5","","Hawes, Chris S.; Lynes, Amy D.; Byrne, Kevin; Schmitt, Wolfgang; Ryan, Gavin; Möbius, Matthias E.; Gunnlaugsson, Thorfinnur","A resilient and luminescent stimuli-responsive hydrogel from a heterotopic 1,8-naphthalimide-derived ligand","Chem. Commun.","2017","","","","","10.1039/C7CC03482B","","","0.71073","MoKα","","0.0601","0.0427","","","0.0852","0.0896","","","","","","1.033","","","","has coordinates","196701","2020-10-21","18:00:00",""
"7120113","11.487","0.0004","25.8357","0.0006","9.2054","0.0003","90","","110.444","0.004","90","","2559.86","0.15","289.56","0.1","289.56","0.1","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C29 H26 N2 O6 S -","- C29 H26 N2 O6 S -","- C116 H104 N8 O24 S4 -","4","1","","Zhao, Liang-Liang; Li, Xing-Shuo; Cao, Li-Li; Zhang, Rui; Shi, Xiao-Qian; Qi, Jing","Access to dihydropyridinones and spirooxindoles: application of N-heterocyclic carbene-catalyzed [3+3] annulation of enals and oxindole-derived enals with 2-aminoacrylates","Chem. Commun.","2017","","","","","10.1039/C7CC02753B","","x-ray","0.71073","MoKα","","0.0754","0.0511","","","0.1106","0.1268","","","","","","1.045","","","","has coordinates,has disorder","196702","2020-10-21","18:00:00",""
"7120114","7.2625","0.0002","9.0561","0.0004","11.2528","0.0007","90","","99.71","0.003","90","","729.49","0.06","103","2","103","2","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","Bis(cyclononatetraenyl)europium(II)","","- C18 H18 Eu -","- C18 H18 Eu -","- C36 H36 Eu2 -","2","0.5","","Kawasaki, Kenshiro; Sugiyama, Rion; Tsuji, Takashi; Iwasa, Takeshi; Tsunoyama, Hironori; Mizuhata, Yoshiyuki; Tokitoh, Norihiro; Nakajima, Atsushi","Designer Ligand Field for Blue-green Luminescence of Organoeuropium(II) Sandwich Complexes with Cyclononatetraenyl Ligands","Chem. Commun.","2017","","","","","10.1039/C7CC03045B","","","0.71075","MoKα","","0.0246","0.0186","","","0.0374","0.0397","","","","","","1.136","","","","has coordinates,has disorder","196703","2020-10-21","18:00:00",""
"7120115","9.333","0.0004","10.1568","0.0004","12.9438","0.0005","85.635","0.002","69.299","0.002","88.318","0.002","1144.44","0.08","100","2","100","2","","","","","","","","6","P -1","-P 1","2","","","","- C27 H23 Cl F3 N O2 -","- C27 H23 Cl F3 N O2 -","- C54 H46 Cl2 F6 N2 O4 -","2","1","","Liu, Rai-Shung; Hsu, Yu-Chen; Lai, Jing-He","Gold-catalyzed Oxidative Hydroacylation Reactions of -Imino Alkynes with Aldehydes and O2","Chem. Commun.","2017","","","","","10.1039/C7CC03421K","","","0.71073","MoKα","","0.05","0.0455","","","0.1212","0.1282","","","","","","1.057","","","","has coordinates","196704","2020-10-21","18:00:00",""
"7120116","9.7947","0.0006","10.1593","0.0006","10.2676","0.0006","77.035","0.002","75.489","0.003","71.193","0.002","924.74","0.1","100","2","100","2","","","","","","","","4","P -1","-P 1","2","","","","- C23 H25 N O2 -","- C23 H25 N O2 -","- C46 H50 N2 O4 -","2","1","","Liu, Rai-Shung; Hsu, Yu-Chen; Lai, Jing-He","Gold-catalyzed Oxidative Hydroacylation Reactions of -Imino Alkynes with Aldehydes and O2","Chem. Commun.","2017","","","","","10.1039/C7CC03421K","","","0.71073","MoKα","","0.0577","0.0482","","","0.1386","0.1604","","","","","","1.12","","","","has coordinates","196704","2020-10-21","18:00:00",""
"7120117","14.9856","0.0013","10.6591","0.0008","14.4299","0.0013","90","","93.353","0.004","90","","2301","0.3","296","2","296","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C27 H24 F3 N O2 -","- C27 H24 F3 N O2 -","- C108 H96 F12 N4 O8 -","4","1","","Liu, Rai-Shung; Hsu, Yu-Chen; Lai, Jing-He","Gold-catalyzed Oxidative Hydroacylation Reactions of -Imino Alkynes with Aldehydes and O2","Chem. Commun.","2017","","","","","10.1039/C7CC03421K","","","0.71073","MoKα","","0.0947","0.0631","","","0.1869","0.2198","","","","","","1.078","","","","has coordinates","196704","2020-10-21","18:00:00",""
"7120118","11.5246","0.0006","16.3595","0.0008","16.8248","0.0009","78.965","0.003","86.497","0.003","84.031","0.003","3093.8","0.3","100","2","100","2","","","","","","","","5","P -1","-P 1","2","Molybdenum(VI) bis{5,10,15-tris(4-methylphenyl)corrole}","Bis{5,10,15-tris(4-methylphenyl)corrolato}molybdenum(VI)","","- C81 H60 Cl2 Mo N8 -","- C80.998 H59.996 Cl1.998 Mo N8 -","- C161.996 H119.992 Cl3.996 Mo2 N16 -","2","1","","Alemayehu, Abraham B.; Vazquez-Lima, Hugo; McCormick, Laura J.; Ghosh, Abhik","Relativistic effects in metallocorroles: comparison of molybdenum and tungsten biscorroles.","Chemical communications (Cambridge, England)","2017","","","","","10.1039/c7cc01549f","","","0.8857","synchrotron","","0.1148","0.0723","","","0.1624","0.1868","","","","","","1.025","","","","has coordinates,has disorder","196705","2020-10-21","18:00:00",""
"7120119","27.1608","0.0007","6.9059","0.0002","21.9106","0.0009","90","","127.11","0.001","90","","3277.45","0.19","133","2","133","2","","","","","","","","4","C 1 2 1","C 2y","5","","","","- C19 H18 N2 O2 -","- C19 H18 N2 O2 -","- C152 H144 N16 O16 -","8","2","","Zheng, Dongsong; Zhao, Qiankun; Hu, Xiaoying; Cheng, Tanyu; Liu, Guohua; Wang, Wei","Dynamic kinetic asymmetric transfer hydrogenation-cyclization tandem reaction: an easy access to chiral 3,4-dihydro-2H-pyran-carbonitriles","Chem. Commun.","2017","","","","","10.1039/C7CC02156A","","","1.54178","CuKα","","0.0482","0.0456","","","0.1144","0.12","","","","","","1.049","","","","has coordinates","203412","2020-10-21","18:00:00",""
"7120120","9.7979","0.0017","6.8652","0.0012","12.478","0.002","90","","94.477","0.004","90","","836.8","0.2","293","2","293","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C19 H18 N2 O2 -","- C19 H18 N2 O2 -","- C38 H36 N4 O4 -","2","1","","Zheng, Dongsong; Zhao, Qiankun; Hu, Xiaoying; Cheng, Tanyu; Liu, Guohua; Wang, Wei","Dynamic kinetic asymmetric transfer hydrogenation-cyclization tandem reaction: an easy access to chiral 3,4-dihydro-2H-pyran-carbonitriles","Chem. Commun.","2017","","","","","10.1039/C7CC02156A","","","0.71073","MoKα","","0.0618","0.0462","","","0.1021","0.1106","","","","","","1.038","","","","has coordinates","196706","2020-10-21","18:00:00",""
"7120121","17.0029","0.0015","13.0353","0.0013","10.6338","0.0008","90","","90","","90","","2356.9","0.4","123","2","123","2","","","","","","","","6","P n a 21","P 2c -2n","33","","Ethanebis(diphenylphosphoranylidene)ammonium-tetrafluoroborate","","- C26 H24 B F4 N P2 -","- C26 H24 B F4 N P2 -","- C104 H96 B4 F16 N4 P8 -","4","1","","Helmdach, Kai; Ludwig, Stephan; Villinger, Alexander; Hollmann, Dirk; Kösters, Jutta; Seidel, Wolfram W.","Synthesis and activation potential of an open shell diphosphine.","Chemical communications (Cambridge, England)","2017","","","","","10.1039/c7cc02114c","","","0.71073","MoKα","","0.0922","0.0513","","","0.1113","0.1377","","","","","","0.814","","","","has coordinates,has disorder","196707","2020-10-21","18:00:00",""
"7120122","16.9669","0.0005","10.4622","0.0003","22.0079","0.0007","90","","90","","90","","3906.6","0.2","173","2","173","2","","","","","","","","8","P c a 21","P 2c -2ac","29","","[(Carbonyl)(ethinyldiphenylphosphine)(iodido){hydridotris(3,4,5-trimethylpyrazolyl)borate}tungsten(II)]","","- C38 H51 B I N6 O P W -","- C38 H51 B I N6 O P W -","- C152 H204 B4 I4 N24 O4 P4 W4 -","4","1","","Helmdach, Kai; Ludwig, Stephan; Villinger, Alexander; Hollmann, Dirk; Kösters, Jutta; Seidel, Wolfram W.","Synthesis and activation potential of an open shell diphosphine.","Chemical communications (Cambridge, England)","2017","","","","","10.1039/c7cc02114c","","","0.71073","MoKα","","0.0524","0.037","","","0.065","0.0677","","","","","","0.976","","","","has coordinates","196707","2020-10-21","18:00:00",""
"7120123","13.101","0.0005","19.6181","0.0008","19.5916","0.0008","90","","99.121","0.001","90","","4971.7","0.3","100","2","100","2","","","","","","","","8","P 1 21/n 1","-P 2yn","14","","[(Carbonyl){bis(diphenylphosphino)acetylene}(iodido){hydridotris(3,4,5-trimethylpyrazolyl)borate}tungsten(II)]","","- C50 H60 B I N6 O P2 W -","- C50 H60 B I N6 O P2 W -","- C200 H240 B4 I4 N24 O4 P8 W4 -","4","1","","Helmdach, Kai; Ludwig, Stephan; Villinger, Alexander; Hollmann, Dirk; Kösters, Jutta; Seidel, Wolfram W.","Synthesis and activation potential of an open shell diphosphine.","Chemical communications (Cambridge, England)","2017","","","","","10.1039/c7cc02114c","","","0.71073","MoKα","","0.0298","0.024","","","0.0533","0.0554","","","","","","1.048","","","","has coordinates,has disorder","196707","2020-10-21","18:00:00",""
"7120124","11.8346","0.0004","24.9365","0.0008","9.9552","0.0003","90","","114.209","0.002","90","","2679.54","0.15","123","2","123","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","[(Acetylene)(carbonyl)(cyanido){hydridotris(3,4,5-trimethylpyrazolyl)borate}tungsten(II)]","","- C23 H32 B Cl2 N7 O W -","- C22 H30 B N7 O W -","- C88 H120 B4 N28 O4 W4 -","4","1","","Helmdach, Kai; Ludwig, Stephan; Villinger, Alexander; Hollmann, Dirk; Kösters, Jutta; Seidel, Wolfram W.","Synthesis and activation potential of an open shell diphosphine.","Chemical communications (Cambridge, England)","2017","","","","","10.1039/c7cc02114c","","","0.71073","MoKα","","0.0675","0.0398","","","0.0703","0.0761","","","","","","0.986","","","","has coordinates,has disorder","196707","2020-10-21","18:00:00",""
"7120125","13.1608","0.0004","19.5011","0.0006","20.3015","0.0005","90","","106.144","0.001","90","","5004.9","0.3","123","2","123","2","","","","","","","","10","P 1 21/c 1","-P 2ybc","14","","Carbonyl-bis(diphenylphosphino)ethyne-hydridotris(3,4,5-trimethylpyrazolyl)borate-iodido-tungsten(III)-hexafluoroborate","","- C45.58 H49.4 B Cl1.2 F6 I N6 O P3 W -","- C45.599 H49.408 B Cl1.198 F6 I N6 O P3 W -","- C182.396 H197.632 B4 Cl4.792 F24 I4 N24 O4 P12 W4 -","4","1","","Helmdach, Kai; Ludwig, Stephan; Villinger, Alexander; Hollmann, Dirk; Kösters, Jutta; Seidel, Wolfram W.","Synthesis and activation potential of an open shell diphosphine.","Chemical communications (Cambridge, England)","2017","","","","","10.1039/c7cc02114c","","","0.71073","MoKα","","0.0691","0.0458","","","0.0919","0.1006","","","","","","1.259","","","","has coordinates,has disorder","196707","2020-10-21","18:00:00",""
"7120126","12.6321","0.0003","15.0895","0.0003","26.9998","0.0005","78.394","0.001","84.668","0.001","80.515","0.001","4962.82","0.18","123","2","123","2","","","","","","","","9","P -1","-P 1","2","","[{Aminodiphenylphosphonium)(diphenylphosphinoxido)acetylene} oiodido){hydridotris(3,4,5-trimethylpyrazolyl)borate}tungsten(II)]","","- C47 H55 B1.96 F3.84 I1.04 N7 O2.5 P2 W -","- C47 H55 B1.9595 F3.838 I1.0406 N7 O2.5 P2 W -","- C188 H220 B7.838 F15.352 I4.1624 N28 O10 P8 W4 -","4","2","","Helmdach, Kai; Ludwig, Stephan; Villinger, Alexander; Hollmann, Dirk; Kösters, Jutta; Seidel, Wolfram W.","Synthesis and activation potential of an open shell diphosphine.","Chemical communications (Cambridge, England)","2017","","","","","10.1039/c7cc02114c","","","0.71073","MoKα","","0.1334","0.054","","","0.0707","0.0893","","","","","","1.007","","","","has coordinates,has disorder","196707","2020-10-21","18:00:00",""
"7120127","16.4962","0.001","10.3883","0.0007","22.0051","0.0016","90","","90","","90","","3771","0.4","123","2","123","2","","","","","","","","7","P c a 21","P 2c -2ac","29","","[(Carbonyl)(cyanido)(ethinyldiphenylphosphine){hydridotris(3,4,5-trimethylpyrazolyl)borate}tungsten(II)]","","- C50.5 H78.6 B N7 O P W -","- C34 H39 B N7 O P W -","- C136 H156 B4 N28 O4 P4 W4 -","4","1","","Helmdach, Kai; Ludwig, Stephan; Villinger, Alexander; Hollmann, Dirk; Kösters, Jutta; Seidel, Wolfram W.","Synthesis and activation potential of an open shell diphosphine.","Chemical communications (Cambridge, England)","2017","","","","","10.1039/c7cc02114c","","","0.71073","MoKα","","0.0787","0.0491","","","0.0979","0.1067","","","","","","0.941","","","","has coordinates","196707","2020-10-21","18:00:00",""
"7120128","13.02","0.003","19.697","0.004","19.523","0.004","90","","96.911","0.009","90","","4970.4","1.8","123","2","123","2","","","","","","","","8","P 1 21/n 1","-P 2yn","14","","[(Carbonyl)(cyanido){bis(diphenylphosphino)acetylene}}{hydridotris(3,4,5-trimethylpyrazolyl)borate}tungsten(II)]","","- C46.31 H48.62 B Cl0.62 N7 O P2 W -","- C46 H48 B N7 O P2 W -","- C184 H192 B4 N28 O4 P8 W4 -","4","1","","Helmdach, Kai; Ludwig, Stephan; Villinger, Alexander; Hollmann, Dirk; Kösters, Jutta; Seidel, Wolfram W.","Synthesis and activation potential of an open shell diphosphine.","Chemical communications (Cambridge, England)","2017","","","","","10.1039/c7cc02114c","","","0.71073","MoKα","","0.0899","0.0693","","","0.109","0.1146","","","","","","1.228","","","","has coordinates,has disorder","196707","2020-10-21","18:00:00",""
"7120129","12.895","0.003","14.868","0.004","17.717","0.004","90","","90","","90","","3396.8","1.4","93","","93","","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","[IPrH][Pd(cin)Cl2]","","- C36 H46 Cl2 N2 Pd -","- C36 H46 Cl2 N2 Pd -","- C144 H184 Cl8 N8 Pd4 -","4","1","","Nolan, Steven P.; Nahra, Fady; zinser, caroline; brill, marcel; Cazin, Catherine S. J.; Slawin, Alexandra; Cordes, David Bradford; Meadows, Rebecca E.","A Simple Synthetic Entryway into Palladium Cross-Coupling Catalysis","Chem. Commun.","2017","","","","","10.1039/C7CC02487H","","","0.71075","MoKα","","0.0631","0.0452","","","0.1014","0.1093","","","","","","1.023","","","","has coordinates","196708","2020-10-21","18:00:00",""
"7120130","24.916","0.004","12.0855","0.0018","42.544","0.006","90","","97.65","0.004","90","","12697","3","173","","173","","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","[IPr*H][Pd(cin)Cl2]","","- C79 H68 Cl4 N2 Pd -","- C79 H68 Cl4 N2 Pd -","- C632 H544 Cl32 N16 Pd8 -","8","1","","Nolan, Steven P.; Nahra, Fady; zinser, caroline; brill, marcel; Cazin, Catherine S. J.; Slawin, Alexandra; Cordes, David Bradford; Meadows, Rebecca E.","A Simple Synthetic Entryway into Palladium Cross-Coupling Catalysis","Chem. Commun.","2017","","","","","10.1039/C7CC02487H","","","0.71075","MoKα","","0.0855","0.0517","","","0.1177","0.138","","","","","","1.034","","","","has coordinates,has disorder","196708","2020-10-21","18:00:00",""
"7120131","9.8131","0.0009","11.6684","0.0012","7.2988","0.0007","90","","99.827","0.003","90","","823.47","0.14","100","2","100","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","(2E,4E)-5-(pyridin-3-yl)penta-2,4-dienal","","- C10 H9 N O -","- C10 H9 N O -","- C40 H36 N4 O4 -","4","1","","Hearne, Zoë; Li, Chao-Jun","Palladium-Catalysed Atom-Economical Synthesis of Conjugated Dienals from Terminal Acetylenes and Acrolein","Chem. Commun.","2017","","","","","10.1039/C7CC02767B","","","0.71073","MoKα","","0.08","0.0492","","","0.1064","0.1185","","","","","","1.026","","","","has coordinates","196709","2020-10-21","18:00:00",""
"7120132","9.1739","0.0016","17.244","0.003","11.0176","0.0019","90","","99.975","0.004","90","","1716.6","0.5","100","2","100","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C24 H17 N O -","- C24 H17 N O -","- C96 H68 N4 O4 -","4","1","","Raju, Selvam; Annamalai, Pratheep K.; Chen, Pei-Ling; Liu, Yi-Hung; Chuang, Shih-Ching","Iptycenes with acridinone motif developed through [4 + 2] cycloaddition of tethered naphthalene and iminoquinone via radical reaction","Chem. Commun.","2017","","","","","10.1039/C7CC03030D","","","0.71073","MoKα","","0.0837","0.0496","","","0.1118","0.1276","","","","","","1.002","","","","has coordinates","196770","2020-10-21","18:00:00",""
"7120133","14.6184","0.0007","4.0481","0.0002","25.0668","0.0012","90","","106.497","0.003","90","","1422.31","0.12","100","2","100","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C20 H13 N O3 -","- C20 H13 N O3 -","- C80 H52 N4 O12 -","4","1","","Raju, Selvam; Annamalai, Pratheep K.; Chen, Pei-Ling; Liu, Yi-Hung; Chuang, Shih-Ching","Iptycenes with acridinone motif developed through [4 + 2] cycloaddition of tethered naphthalene and iminoquinone via radical reaction","Chem. Commun.","2017","","","","","10.1039/C7CC03030D","","","0.71073","MoKα","","0.0561","0.0408","","","0.1237","0.1561","","","","","","1.102","","","","has coordinates","196770","2020-10-21","18:00:00",""
"7120134","9.1825","0.0006","9.9928","0.0007","10.0713","0.0008","111.633","0.007","90.794","0.006","112.965","0.006","777.41","0.12","200","2","200","2","","","","","","","","4","P -1","-P 1","2","","","","- C23 H15 N O -","- C23 H15 N O -","- C46 H30 N2 O2 -","2","1","","Raju, Selvam; Annamalai, Pratheep K.; Chen, Pei-Ling; Liu, Yi-Hung; Chuang, Shih-Ching","Iptycenes with acridinone motif developed through [4 + 2] cycloaddition of tethered naphthalene and iminoquinone via radical reaction","Chem. Commun.","2017","","","","","10.1039/C7CC03030D","","","1.54178","CuKα","","0.0719","0.0541","","","0.1412","0.1615","","","","","","1.035","","","","has coordinates","196770","2020-10-21","18:00:00",""
"7120135","11.781","0.0004","11.3573","0.0003","25.6334","0.0007","90","","108.676","0.001","90","","3249.16","0.17","115","","115","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C36 H48 B Fe P -","- C36 H48 B Fe P -","- C144 H192 B4 Fe4 P4 -","4","1","","Lerayer, Emmanuel; Renaut, Patrice; Roger, Julien; Pirio, Nadine; Cattey, Hélène; Devillers, Charles H.; Lucas, Dominique; Hierso, Jean-Cyrille","A general diastereoselective synthesis of highly functionalized ferrocenyl ambiphiles enabled on a large scale by electrochemical purification","Chem. Commun.","2017","","","","","10.1039/C7CC02469J","","","0.71073","MoKα","","0.0829","0.0553","","","0.1015","0.1155","","","","","","1.149","","","","has coordinates","196771","2020-10-21","18:00:00",""
"7120136","8.9109","0.0003","10.5286","0.0003","13.9046","0.0005","101.242","0.002","99.599","0.002","104.95","0.002","1203.32","0.07","115","","115","","","","","","","","","5","P -1","-P 1","2","","","","- C24 H38 Br Fe P -","- C24 H38 Br Fe P -","- C48 H76 Br2 Fe2 P2 -","2","1","","Lerayer, Emmanuel; Renaut, Patrice; Roger, Julien; Pirio, Nadine; Cattey, Hélène; Devillers, Charles H.; Lucas, Dominique; Hierso, Jean-Cyrille","A general diastereoselective synthesis of highly functionalized ferrocenyl ambiphiles enabled on a large scale by electrochemical purification","Chem. Commun.","2017","","","","","10.1039/C7CC02469J","","x-ray","0.71073","MoKα","K-L~3~","0.0777","0.0642","","","0.1445","0.1506","","","","","","1.181","","","","has coordinates","196771","2020-10-21","18:00:00",""
"7120137","11.3168","0.0002","11.479","0.0003","31.3215","0.0006","90","","96.233","0.001","90","","4044.78","0.15","115","","115","","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C48 H56 B Fe P -","- C48 H56 B Fe P -","- C192 H224 B4 Fe4 P4 -","4","1","","Lerayer, Emmanuel; Renaut, Patrice; Roger, Julien; Pirio, Nadine; Cattey, Hélène; Devillers, Charles H.; Lucas, Dominique; Hierso, Jean-Cyrille","A general diastereoselective synthesis of highly functionalized ferrocenyl ambiphiles enabled on a large scale by electrochemical purification","Chem. Commun.","2017","","","","","10.1039/C7CC02469J","","x-ray","0.71073","MoKα","K-L~3~","0.0854","0.0599","","","0.114","0.1251","","","","","","1.107","","","","has coordinates","196771","2020-10-21","18:00:00",""
"7120138","12.3757","0.0008","18.5858","0.001","14.3405","0.0009","90","","104.208","0.002","90","","3197.6","0.3","100","2","100","","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C36 H46 Br Fe P -","- C36 H46 Br Fe P -","- C144 H184 Br4 Fe4 P4 -","4","1","","Lerayer, Emmanuel; Renaut, Patrice; Roger, Julien; Pirio, Nadine; Cattey, Hélène; Devillers, Charles H.; Lucas, Dominique; Hierso, Jean-Cyrille","A general diastereoselective synthesis of highly functionalized ferrocenyl ambiphiles enabled on a large scale by electrochemical purification","Chem. Commun.","2017","","","","","10.1039/C7CC02469J","","x-ray","0.71073","MoKα","K-L~3~","0.0579","0.0344","","","0.0692","0.0802","","","","","","1.077","","","","has coordinates","196771","2020-10-21","18:00:00",""
"7120139","11.6447","0.0004","12.0206","0.0004","15.3638","0.0004","98.979","0.002","109.086","0.002","103.123","0.002","1916.3","0.11","100","","100","","","","","","","","","5","P -1","-P 1","2","","","","- C42 H60 B Fe P -","- C42 H60 B Fe P -","- C84 H120 B2 Fe2 P2 -","2","1","","Lerayer, Emmanuel; Renaut, Patrice; Roger, Julien; Pirio, Nadine; Cattey, Hélène; Devillers, Charles H.; Lucas, Dominique; Hierso, Jean-Cyrille","A general diastereoselective synthesis of highly functionalized ferrocenyl ambiphiles enabled on a large scale by electrochemical purification","Chem. Commun.","2017","","","","","10.1039/C7CC02469J","","x-ray","0.71073","MoKα","","0.0574","0.0381","","","0.0843","0.0957","","","","","","1.051","","","","has coordinates,has disorder","196771","2020-10-21","18:00:00",""
"7120140","12.7346","0.0004","9.1536","0.0002","22.5599","0.0006","90","","91.197","0.001","90","","2629.18","0.12","115","","115","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C30 H34 Br Fe P -","- C30 H34 Br Fe P -","- C120 H136 Br4 Fe4 P4 -","4","1","","Lerayer, Emmanuel; Renaut, Patrice; Roger, Julien; Pirio, Nadine; Cattey, Hélène; Devillers, Charles H.; Lucas, Dominique; Hierso, Jean-Cyrille","A general diastereoselective synthesis of highly functionalized ferrocenyl ambiphiles enabled on a large scale by electrochemical purification","Chem. Commun.","2017","","","","","10.1039/C7CC02469J","","x-ray","0.71073","MoKα","K-L~3~","0.0281","0.0239","","","0.0527","0.055","","","","","","1.081","","","","has coordinates","211179","2020-10-21","18:00:00",""
"7120141","11.3703","0.0013","12.9284","0.0014","18.9441","0.0017","76.777","0.003","74.113","0.003","85.477","0.004","2607","0.5","100","","100","","","","","","","","","5","P -1","-P 1","2","","","","- C59 H80 B Fe P -","- C59 H80 B Fe P -","- C118 H160 B2 Fe2 P2 -","2","1","","Lerayer, Emmanuel; Renaut, Patrice; Roger, Julien; Pirio, Nadine; Cattey, Hélène; Devillers, Charles H.; Lucas, Dominique; Hierso, Jean-Cyrille","A general diastereoselective synthesis of highly functionalized ferrocenyl ambiphiles enabled on a large scale by electrochemical purification","Chem. Commun.","2017","","","","","10.1039/C7CC02469J","","x-ray","0.71073","MoKα","K-L~3~","0.1156","0.067","","","0.1675","0.1928","","","","","","1.099","","","","has coordinates,has disorder","196771","2020-10-21","18:00:00",""
"7120142","9.4072","0.0005","10.3234","0.0005","18.7531","0.0011","94.806","0.002","95.269","0.002","105.913","0.002","1732.68","0.16","100","","100","","","","","","","","","5","P -1","-P 1","2","","","","- C41 H56 B Fe N -","- C41 H56 B Fe N -","- C82 H112 B2 Fe2 N2 -","2","1","","Lerayer, Emmanuel; Renaut, Patrice; Roger, Julien; Pirio, Nadine; Cattey, Hélène; Devillers, Charles H.; Lucas, Dominique; Hierso, Jean-Cyrille","A general diastereoselective synthesis of highly functionalized ferrocenyl ambiphiles enabled on a large scale by electrochemical purification","Chem. Commun.","2017","","","","","10.1039/C7CC02469J","","x-ray","0.71073","MoKα","","0.0592","0.0404","","","0.0875","0.096","","","","","","1.019","","","","has coordinates,has disorder","196771","2020-10-21","18:00:00",""
"7120143","11.199","0.002","11.561","0.002","32.35","0.005","90","","106.86","0.005","90","","4008.4","1.2","115","","115","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C48 H49 B Fe P -","- C48 H49 B Fe P -","- C192 H196 B4 Fe4 P4 -","4","1","","Lerayer, Emmanuel; Renaut, Patrice; Roger, Julien; Pirio, Nadine; Cattey, Hélène; Devillers, Charles H.; Lucas, Dominique; Hierso, Jean-Cyrille","A general diastereoselective synthesis of highly functionalized ferrocenyl ambiphiles enabled on a large scale by electrochemical purification","Chem. Commun.","2017","","","","","10.1039/C7CC02469J","","x-ray","0.71073","MoKα","K-L~3~","0.043","0.0393","","","0.1045","0.1075","","","","","","1.069","","","","has coordinates,has disorder","196771","2020-10-21","18:00:00",""
"7120144","10.556","0.004","9.824","0.003","20.868","0.007","90","","99.858","0.006","90","","2132.1","1.3","100","2","100","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","Eu-DMDGA-NO3","","- C12 H21 Eu N4 O14 -","- C12 H21 Eu N4 O14 -","- C48 H84 Eu4 N16 O56 -","4","1","","Zhang, Yan; Yang, Suliang; Yuan, Xiaolan; Zhao, Yonggang; Tian, Guoxin","Separating Lanthanides and Actinides from Nitric Acid Solutions by Using N,N-di(2-ethylhexyl)-diglycolamic Acid (HDEHDGA)","Chem. Commun.","2017","","","","","10.1039/C7CC02924A","","","0.71073","MoKα","","0.0447","0.0381","","","0.0918","0.0963","","","","","","1.01","","","","has coordinates","196772","2020-10-21","18:00:00",""
"7120145","7.265","0.0003","8.277","0.0005","24.8418","0.0014","90","","90","","90","","1493.8","0.14","293","2","293","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C18 H17 N O2 -","- C18 H17 N O2 -","- C72 H68 N4 O8 -","4","1","","Li, Huihuang; Zhao, Yanwei; Ma, Liang; Ma, Meihua; Jiang, Jun; Wan, Xiaobing","Radical-carbene coupling reaction: Mn-catalyzed synthesis of indoles from aromatic amines and diazo compounds.","Chemical communications (Cambridge, England)","2017","","","","","10.1039/c7cc02440a","","","0.71073","MoKα","","0.0516","0.0398","","","0.087","0.0925","","","","","","1.048","","","","has coordinates","196773","2020-10-21","18:00:00",""
"7120146","9.2966","0.0019","19.662","0.004","23.71","0.005","112.27","0.03","97.74","0.03","97.06","0.03","3902","1.8","113","2","113.15","","","","","","","","","5","P -1","-P 1","2","","","","- C25 H14 F2 N2 O -","- C25 H14 F2 N2 O -","- C200 H112 F16 N16 O8 -","8","4","","Zhou, Tao; Li, Bin; Wang, Baiquan","Rhodium-Catalyzed C2 and C4 C‒H Activation/Annulation of 3-(1H-Indol-3-yl)-3-oxopropanenitriles with Internal Alkynes: A Facile Access to Substituted and Fused Carbazoles","Chem. Commun.","2017","","","","","10.1039/C7CC02808C","","","0.71073","MoKα","","0.1","0.0719","","","0.1622","0.1803","","","","","","1.078","","","","has coordinates","196774","2020-10-21","18:00:00",""
"7120147","18.329","0.003","21.067","0.003","16.73","0.003","90","","99.622","0.004","90","","6369.2","1.8","113.15","","113.15","","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C39 H24 N2 O -","- C39 H24 N2 O -","- C312 H192 N16 O8 -","8","1","","Zhou, Tao; Li, Bin; Wang, Baiquan","Rhodium-Catalyzed C2 and C4 C‒H Activation/Annulation of 3-(1H-Indol-3-yl)-3-oxopropanenitriles with Internal Alkynes: A Facile Access to Substituted and Fused Carbazoles","Chem. Commun.","2017","","","","","10.1039/C7CC02808C","","","0.71073","MoKα","","0.0602","0.045","","","0.1097","0.1182","","","","","","1.022","","","","has coordinates","196774","2020-10-21","18:00:00",""
"7120148","17.0801","0.0007","17.8312","0.0007","17.941","0.0005","87.087","0.003","71.317","0.003","64.441","0.004","4645.2","0.4","123.3","0.3","123.3","0.3","","","","","","","","7","P -1","-P 1","2","","","","- C48 H211 Cu24 Gd6 N24 Na O151 -","- C48 H74 Cu24 Gd6 N24 Na O151 -","- C48 H74 Cu24 Gd6 N24 Na O151 -","1","0.5","","Xiong, Gang; Yu, Bing; Dong, Jie; Shi, Ying; Zhao, Bin; He, Liang-Nian","Cluster-based MOFs with accelerated chemical conversion of CO2 through C‒C bond formation","Chem. Commun.","2017","","","","","10.1039/C7CC01136A","","","0.7107","MoKα","","0.0722","0.0597","","","0.1573","0.1641","","","","","","1.08","","","","has coordinates,has disorder","196775","2020-10-21","18:00:00",""
"7120149","17.0964","0.0007","17.8161","0.0007","17.8597","0.0007","87.132","0.003","71.317","0.004","64.3","0.004","4618.2","0.4","125.2","0.4","125.2","0.4","","","","","","","","7","P -1","-P 1","2","","","","- C48 H251 Cu24 Dy6 N24 Na O151 -","- C48 Cu24 Dy6 N12 Na O86 -","- C48 Cu24 Dy6 N12 Na O86 -","1","0.5","","Xiong, Gang; Yu, Bing; Dong, Jie; Shi, Ying; Zhao, Bin; He, Liang-Nian","Cluster-based MOFs with accelerated chemical conversion of CO2 through C‒C bond formation","Chem. Commun.","2017","","","","","10.1039/C7CC01136A","","","0.7107","MoKα","","0.1013","0.0592","","","0.1473","0.1622","","","","","","0.896","","","","has coordinates,has disorder","196775","2020-10-21","18:00:00",""
"7120150","26.672","0.004","7.4623","0.001","21.658","0.003","90","","90","","90","","4310.7","1.1","93","","93","","","","","","","","","6","C m c m","-C 2c 2","63","[LNi2]_2CHCl3","LNi2","","- C46 H34 Cl6 N4 Ni2 O8 -","- C46 H34 Cl6 N4 Ni2 O8 -","- C184 H136 Cl24 N16 Ni8 O32 -","4","0.25","","Sakata, Yoko; Kobayashi, Seiya; Akine, Shigehisa","Two-step modulation of ion recognition using a bis(saloph)-macrocyclic host having a 24-crown-8-like cavity","Chem. Commun.","2017","","","","","10.1039/C7CC02641B","","","0.71073","MoKα","","0.1575","0.0878","","","0.1296","0.1576","","","","","","1.159","","","","has coordinates,has disorder","196799","2020-10-21","18:00:00",""
"7120151","10.93","0.0008","19.1231","0.0016","11.1659","0.0009","90","","109.173","0.002","90","","2204.4","0.3","298","2","298","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C28 H21 O2 P -","- C28 H21 O2 P -","- C112 H84 O8 P4 -","4","1","","Jiang, Bo; Zhu, Xiao-Tong; Zhao, Qi; Liu, Feng; Wang, Ai-Fang; Cai, Pei-Jun; Hao, Wen-Juan; Tu, Shu-Jiang","Silver-mediated radical 5-exo-dig cyclization of 2-alkynylbenzonitriles: Synthesis of phosphinylated 1-indenones","Chem. Commun.","2017","","","","","10.1039/C7CC01666B","","","0.71073","MoKα","","0.1282","0.0537","","","0.1019","0.1204","","","","","","1.052","","","","has coordinates,has disorder","196800","2020-10-21","18:00:00",""
"7120152","16.246","0.003","30.559","0.005","20.51","0.003","90","","89.973","0.003","90","","10182","3","120","2","120","2","","","","","","","","7","P 1 21 1","P 2yb","4","","","","- C112 H94 Cl F6 N5 O2 P -","- C111 H79 Cl F6 N5 O2 P -","- C444 H316 Cl4 F24 N20 O8 P4 -","4","2","","Suzuki, Wataru; Kotani, Hiroaki; Ishizuka, Tomoya; Shiota, Yoshihito; Yoshizawa, Kazunari; Kojima, Takahiko","Formation of supramolecular hetero-triads by controlling hydrogen bonding of conjugate bases with a diprotonated porphyrin based on electrostatic interaction","Chem. Commun.","2017","","","","","10.1039/C7CC03635C","","","0.71073","MoKα","","0.1092","0.0785","","","0.2026","0.2182","","","","","","1.035","","","","has coordinates","196801","2020-10-21","18:00:00",""
"7120153","10.4802","0.0007","6.3738","0.0004","14.7815","0.0011","90","","90","","90","","987.38","0.12","230","2","230","2","","","","","","","","5","P n m a","-P 2ac 2n","62","","","","- C4 H18 N2 O5 S -","- C4 H18 N2 O5 S -","- C16 H72 N8 O20 S4 -","4","0.5","","Liu, Sijie; sun, zhihua; Ji, Chengmin; li, lina; Zhao, Sangen; Luo, Junhua","Exceptional bi-step switching of quadratic nonlinear optical properties in a one-dimensional channel compound","Chem. Commun.","2017","","","","","10.1039/C7CC02625K","","","1.54184","CuKα","","0.0403","0.0363","","","0.0966","0.0988","","","","","","1.138","","","","has coordinates","196802","2020-10-21","18:00:00",""
"7120154","20.9626","0.0003","6.3868","0.0001","14.7302","0.0002","90","","90","","90","","1972.14","0.05","180","2","180","2","","","","","","","","5","P n a 21","P 2c -2n","33","","","","- C4 H18 N2 O5 S -","- C4 H18 N2 O5 S -","- C32 H144 N16 O40 S8 -","8","2","","Liu, Sijie; sun, zhihua; Ji, Chengmin; li, lina; Zhao, Sangen; Luo, Junhua","Exceptional bi-step switching of quadratic nonlinear optical properties in a one-dimensional channel compound","Chem. Commun.","2017","","","","","10.1039/C7CC02625K","","","1.54184","CuKα","","0.0303","0.0292","","","0.0856","0.0869","","","","","","1.038","","","","has coordinates","196802","2020-10-21","18:00:00",""
"7120155","10.4627","0.0004","6.3804","0.0002","14.6616","0.0005","90","","90","","90","","978.75","0.06","120","2","120","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C4 H18 N2 O5 S -","- C4 H18 N2 O5 S -","- C16 H72 N8 O20 S4 -","4","1","","Liu, Sijie; sun, zhihua; Ji, Chengmin; li, lina; Zhao, Sangen; Luo, Junhua","Exceptional bi-step switching of quadratic nonlinear optical properties in a one-dimensional channel compound","Chem. Commun.","2017","","","","","10.1039/C7CC02625K","","","1.54184","CuKα","","0.0371","0.0331","","","0.075","0.0793","","","","","","1.079","","","","has coordinates","196802","2020-10-21","18:00:00",""
"7120156","10.5127","0.0002","6.3992","0.0001","14.828","0.0003","90","","90","","90","","997.52","0.03","295","2","295","2","","","","","","","","5","P n m a","-P 2ac 2n","62","","","","- C4 H18 N2 O5 S -","- C4 H18 N2 O5 S -","- C16 H72 N8 O20 S4 -","4","0.5","","Liu, Sijie; sun, zhihua; Ji, Chengmin; li, lina; Zhao, Sangen; Luo, Junhua","Exceptional bi-step switching of quadratic nonlinear optical properties in a one-dimensional channel compound","Chem. Commun.","2017","","","","","10.1039/C7CC02625K","","","1.54184","CuKα","","0.0323","0.0308","","","0.0831","0.084","","","","","","1.124","","","","has coordinates,has disorder","196802","2020-10-21","18:00:00",""
"7120157","10.4817","0.0006","6.3775","0.0004","14.7703","0.001","90","","90","","90","","987.35","0.11","215","2","215","2","","","","","","","","5","P n m a","-P 2ac 2n","62","","","","- C4 H18 N2 O5 S -","- C4 H18 N2 O5 S -","- C16 H72 N8 O20 S4 -","4","0.5","","Liu, Sijie; sun, zhihua; Ji, Chengmin; li, lina; Zhao, Sangen; Luo, Junhua","Exceptional bi-step switching of quadratic nonlinear optical properties in a one-dimensional channel compound","Chem. Commun.","2017","","","","","10.1039/C7CC02625K","","","1.54184","CuKα","","0.0429","0.0392","","","0.0997","0.1024","","","","","","1.125","","","","has coordinates","196802","2020-10-21","18:00:00",""
"7120158","10.7852","0.0008","9.4641","0.0008","16.076","0.0013","90","","105.748","0.006","90","","1579.3","0.2","100","2","100","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C19 H24 N2 O2 -","- C19 H24 N2 O2 -","- C76 H96 N8 O8 -","4","1","","Leitner, Christian; Gaich, Tanja","Total synthesis of (±)-20S-Hydroxy-1,2-dehydro-pseudoaspidospermidine via a C-H activation/transannular cylization strategy†","Chem. Commun.","2017","","","","","10.1039/C7CC02699D","","","0.71073","MoKα","","0.1276","0.0689","","","0.1228","0.1409","","","","","","1.033","","","","has coordinates","196803","2020-10-21","18:00:00",""
"7120159","7.7832","0.0012","11.102","0.0018","14.344","0.002","95.903","0.005","97.575","0.005","92.147","0.006","1220.5","0.3","150","2","150","2","","","","","","","","7","P -1","-P 1","2","","","","- C27 H16 B F5 O S Te -","- C27 H16 B F5 O S Te -","- C54 H32 B2 F10 O2 S2 Te2 -","2","1","","Tsao, Fu An; Stephan, Douglas W.","Facile Access to Unsymmetrically Substituted Tellurium-Boron based Heterocycles","Chem. Commun.","2017","","","","","10.1039/C7CC03648E","","","0.71073","MoKα","","0.0263","0.0238","","","0.0647","0.0662","","","","","","1.043","","","","has coordinates","196804","2020-10-21","18:00:00",""
"7120160","6.606","0.002","11.962","0.004","16.824","0.005","88.855","0.014","84.261","0.014","76.347","0.014","1285.4","0.7","150","2","150","2","","","","","","","","7","P -1","-P 1","2","","","","- C29 H17 B Br F5 O Te -","- C29 H17 B Br F5 O Te -","- C58 H34 B2 Br2 F10 O2 Te2 -","2","1","","Tsao, Fu An; Stephan, Douglas W.","Facile Access to Unsymmetrically Substituted Tellurium-Boron based Heterocycles","Chem. Commun.","2017","","","","","10.1039/C7CC03648E","","","0.71073","MoKα","","0.0347","0.0254","","","0.0631","0.0754","","","","","","1.125","","","","has coordinates","196805","2020-10-21","18:00:00",""
"7120161","9.0288","0.0008","11.8661","0.0008","15.9458","0.0012","106.139","0.004","98.474","0.004","108.7","0.003","1501","0.2","150","2","150","2","","","","","","","","6","P -1","-P 1","2","","","","- C35 H17 B F10 O Te -","- C35 H17 B F10 O Te -","- C70 H34 B2 F20 O2 Te2 -","2","1","","Tsao, Fu An; Stephan, Douglas W.","Facile Access to Unsymmetrically Substituted Tellurium-Boron based Heterocycles","Chem. Commun.","2017","","","","","10.1039/C7CC03648E","","","0.71073","MoKα","","0.0574","0.0376","","","0.0842","0.1034","","","","","","1.078","","","","has coordinates","196806","2020-10-21","18:00:00",""
"7120162","11.0701","0.001","13.0666","0.0011","13.7393","0.0013","111.314","0.004","102.688","0.004","98.616","0.004","1747.6","0.3","150","2","150","2","","","","","","","","6","P -1","-P 1","2","","","","- C41 H21 B F10 O Te -","- C41 H21 B F10 O Te -","- C82 H42 B2 F20 O2 Te2 -","2","1","","Tsao, Fu An; Stephan, Douglas W.","Facile Access to Unsymmetrically Substituted Tellurium-Boron based Heterocycles","Chem. Commun.","2017","","","","","10.1039/C7CC03648E","","","0.71073","MoKα","","0.0387","0.0311","","","0.0691","0.0747","","","","","","1.051","","","","has coordinates","196807","2020-10-21","18:00:00",""
"7120163","31.652","0.005","13.842","0.003","23.093","0.004","90","","108.953","0.006","90","","9569","3","293","2","293","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C36.66667 H21.33333 B F10 N O Te -","- C36.6667 H21.3333 B F10 N O Te -","- C440 H256 B12 F120 N12 O12 Te12 -","12","3","","Tsao, Fu An; Stephan, Douglas W.","Facile Access to Unsymmetrically Substituted Tellurium-Boron based Heterocycles","Chem. Commun.","2017","","","","","10.1039/C7CC03648E","","","0.71073","MoKα","","0.1042","0.0491","","","0.1001","0.129","","","","","","1.02","","","","has coordinates","203412","2020-10-21","18:00:00",""
"7120164","3.748","0.008","12.14","0.03","26.33","0.06","90","","90","","90","","1198","5","150","2","150","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C12 H10 N2 O5 -","- C12 H10 N2 O5 -","- C48 H40 N8 O20 -","4","1","","Saha, Subhankar; Desiraju, Gautam R.","Hand-Twisted Helical Crystal Based Solely on Hydrogen Bonding","Chem. Commun.","2017","","","","","10.1039/C7CC02970E","","","0.71073","MoKα","","0.1218","0.0985","","","0.2656","0.2934","","","","","","1.166","","","","has coordinates","196809","2020-10-21","18:00:00",""
"7120165","7.228","0.002","7.888","0.003","20.958","0.007","90","","90","","90","","1194.9","0.7","150","2","150","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C13 H9 N O5 -","- C13 H9 N O5 -","- C52 H36 N4 O20 -","4","1","","Saha, Subhankar; Desiraju, Gautam R.","Hand-Twisted Helical Crystal Based Solely on Hydrogen Bonding","Chem. Commun.","2017","","","","","10.1039/C7CC02970E","","","0.71073","MoKα","","0.0918","0.0608","","","0.1149","0.1333","","","","","","1.056","","","","has coordinates","196809","2020-10-21","18:00:00",""
"7120166","10.895","0.0017","13.52","0.002","21.603","0.003","95.33","0.003","96.484","0.003","110.884","0.003","2923.5","0.8","150","2","150","2","","","","","","","","7","P -1","-P 1","2","","","","- C41 H80 Ge5 K2 N6 Ni2 O15 -","- C41 H80 Ge5 K2 N6 Ni2 O15 -","- C82 H160 Ge10 K4 N12 Ni4 O30 -","2","1","","Sun, Zhong-Ming; Liu, Chao; Li, Leijiao; Pan, Qing-Jiang","[Ge5Ni2(CO)3]2-：The first functionalized cluster of closo-[Ge5]2−","Chem. Commun.","2017","","","","","10.1039/C7CC02917A","","","0.71073","MoKα","","0.1042","0.0531","","","0.1046","0.1239","","","","","","0.978","","","","has coordinates,has disorder","196810","2020-10-21","18:00:00",""
"7120167","10.3148","0.0018","14.552","0.003","23.285","0.004","90","","90","","90","","3495.1","1.1","173.15","","173.15","","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C40 H32 Br2 O6 -","- C40 H32 Br2 O6 -","- C160 H128 Br8 O24 -","4","1","","He, Dong-Qiang; Lu, Hai-Yan; Li, Meng; Chen, Chuan-Feng","Intense blue circularly polarized luminescence from helical aromatic esters","Chem. Commun.","2017","","","","","10.1039/C7CC01882G","","","0.71073","MoKα","","0.0699","0.0634","","","0.1573","0.1624","","","","","","1.07","","","","has coordinates","196885","2020-10-21","18:00:00",""
"7120168","9.3258","0.0003","9.3714","0.0003","12.7379","0.0003","104.226","0.007","99.435","0.007","96.838","0.007","1049.62","0.07","133","","133","","","","","","","","","5","P -1","-P 1","2","","","","- C22 H28 N O4 S -","- C22 H27 N O4 S -","- C44 H54 N2 O8 S2 -","2","1","","Doi, Ryohei; Abdullah, Iman; Taniguchi, Takahisa; Saito, Nozomi; Sato, Yoshihiro","Nickel-Catalyzed Hydrocarboxylation of Ynamides with CO2 and H2O: Observation of Unexpected Regioselectivity","Chem. Commun.","2017","","","","","10.1039/C7CC03127K","","","1.54187","CuKα","","0.0528","0.0448","","","0.1117","0.1159","","","","","","1.064","","","","has coordinates","196886","2020-10-21","18:00:00",""
"7120169","18.6357","0.0006","6.4232","0.0002","19.8474","0.0007","90","","110.723","0.008","90","","2222.04","0.17","133","","133","","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C24 H25 N3 Ni O4 S -","- C24 H25 N3 Ni O4 S -","- C96 H100 N12 Ni4 O16 S4 -","4","1","","Doi, Ryohei; Abdullah, Iman; Taniguchi, Takahisa; Saito, Nozomi; Sato, Yoshihiro","Nickel-Catalyzed Hydrocarboxylation of Ynamides with CO2 and H2O: Observation of Unexpected Regioselectivity","Chem. Commun.","2017","","","","","10.1039/C7CC03127K","","","1.54187","CuKα","","0.0677","0.0498","","","0.119","0.1273","","","","","","1.011","","","","has coordinates","196886","2020-10-21","18:00:00",""
"7120170","13.8587","0.0004","16.6708","0.0005","16.8553","0.0006","109.455","0.003","102.536","0.003","102.194","0.003","3410","0.2","150.1","0.4","150","0.14","","","","","","","","7","P -1","-P 1","2","","","","- C55 H72 Cl12 F3 N3 O5 S0.5 -","- C55 H72 Cl12 F3 N3 O5 S0.5 -","- C110 H144 Cl24 F6 N6 O10 S -","2","1","","Lavendomme, Roy; Ajami, Daniela; Moerkerke, Steven; Wouters, Johan; Rissanen, Kari; Luhmer, Michel; Jabin, Ivan","Encapsulation and solid state sequestration of gases by calix[6]arene-based molecular containers","Chem. Commun.","2017","","","","","10.1039/C7CC03078A","","","1.54184","CuKα","","0.2377","0.2093","","","0.5586","0.5778","","","","","","2.39","","","","has coordinates","196887","2020-10-21","18:00:00",""
"7120171","13.8689","0.0009","16.6934","0.0013","16.8118","0.0012","109.746","0.007","102.23","0.006","102.209","0.006","3406.5","0.5","149.95","0.1","149.95","0.1","","","","","","","","5","P -1","-P 1","2","","","","- C105 H162 Cl16 N6 O22 -","- C105 H162 Cl16 N6 O22 -","- C105 H162 Cl16 N6 O22 -","1","0.5","","Lavendomme, Roy; Ajami, Daniela; Moerkerke, Steven; Wouters, Johan; Rissanen, Kari; Luhmer, Michel; Jabin, Ivan","Encapsulation and solid state sequestration of gases by calix[6]arene-based molecular containers","Chem. Commun.","2017","","","","","10.1039/C7CC03078A","","","0.71073","MoKα","","0.2631","0.2137","","","0.5386","0.5728","","","","","","2.065","","","","has coordinates","196887","2020-10-21","18:00:00",""
"7120172","13.7784","0.0009","14.3195","0.0007","16.956","0.0008","97.571","0.004","109.693","0.005","114.255","0.005","2725.7","0.3","149.8","","149.8","","","","","","","","","5","P -1","-P 1","2","","","","- C104 H138 Cl8 N6 O12 -","- C104 H138 Cl8 N6 O12 -","- C104 H138 Cl8 N6 O12 -","1","0.5","","Lavendomme, Roy; Ajami, Daniela; Moerkerke, Steven; Wouters, Johan; Rissanen, Kari; Luhmer, Michel; Jabin, Ivan","Encapsulation and solid state sequestration of gases by calix[6]arene-based molecular containers","Chem. Commun.","2017","","","","","10.1039/C7CC03078A","","","1.54184","CuKα","","0.162","0.1316","","","0.3837","0.4171","","","","","","1.649","","","","has coordinates,has disorder","196887","2020-10-21","18:00:00",""
"7120173","11.751","0.002","37.418","0.007","17.055","0.004","90","","109.766","0.002","90","","7057","2","110","2","110","2","","","","","","","","6","C 1 c 1","C -2yc","9","","(PNP)Rh(ZnPh)(Ph)","","- C38 H50 N P2 Rh Zn -","- C38 H50 N P2 Rh Zn -","- C304 H400 N8 P16 Rh8 Zn8 -","8","2","","Pell, Christopher J.; Shih, Wei-Chun; Gatard, Sylvain; Ozerov, Oleg V.","Formation of (PNP)Rh complexes containing covalent rhodium-zinc bonds in studies of potential Rh-catalysed Negishi coupling","Chem. Commun.","2017","","","","","10.1039/C7CC02707A","","","0.71073","MoKα","","0.0231","0.0225","","","0.0536","0.0542","","","","","","1.006","","","","has coordinates","196913","2020-10-21","18:00:00",""
"7120174","15.924","0.003","14.202","0.002","28.341","0.005","90","","98.235","0.002","90","","6343.3","1.9","110","2","110","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","none","[(PNP)Rh(Ph)]2[μ-Zn]","","- C64 H90 N2 P4 Rh2 Zn -","- C64 H90 N2 P4 Rh2 Zn -","- C256 H360 N8 P16 Rh8 Zn4 -","4","1","","Pell, Christopher J.; Shih, Wei-Chun; Gatard, Sylvain; Ozerov, Oleg V.","Formation of (PNP)Rh complexes containing covalent rhodium-zinc bonds in studies of potential Rh-catalysed Negishi coupling","Chem. Commun.","2017","","","","","10.1039/C7CC02707A","","","0.71073","MoKα","","0.0459","0.0338","","","0.0826","0.0897","","","","","","1.029","","","","has coordinates","196913","2020-10-21","18:00:00",""
"7120175","10.5314","0.0003","26.3935","0.0007","23.9279","0.0008","90","","92.463","0.002","90","","6644.9","0.3","110","2","110","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","[(PNP)Rh(H)]2[?-ZnCl4]","","- C57 H92 Cl4 N2 P4 Rh2 Zn -","- C57 H92 Cl4 N2 P4 Rh2 Zn -","- C228 H368 Cl16 N8 P16 Rh8 Zn4 -","4","1","","Pell, Christopher J.; Shih, Wei-Chun; Gatard, Sylvain; Ozerov, Oleg V.","Formation of (PNP)Rh complexes containing covalent rhodium-zinc bonds in studies of potential Rh-catalysed Negishi coupling","Chem. Commun.","2017","","","","","10.1039/C7CC02707A","","","1.54178","CuKα","","0.0618","0.0466","","","0.1043","0.1137","","","","","","1.099","","","","has coordinates","196913","2020-10-21","18:00:00",""
"7120176","11.5622","0.0004","13.0505","0.0005","18.3593","0.0008","80.656","0.002","83.118","0.002","68.474","0.002","2537.38","0.18","273","2","273","2","","","","","","","","7","P -1","-P 1","2","","","","- C37.5 H41 Br Dy F18 N4 O9 -","- C37.5 H39 Br Dy F18 N4 O9 -","- C75 H78 Br2 Dy2 F36 N8 O18 -","2","1","","Andruh, Marius; Patrascu, Andrei; Calancea, Sergiu; Briganti, Matteo; Soriano, Stephane Serge Yves Gerome; Madalan, Augustin M.; Cassaro, Rafael A. A.; Caneschi, Andrea; Totti, Federico; Vaz, Maria G. F.","Chimeric design of heterospin 2p-3d, 2p-4f, and 2p-3d-4f complexes using a novel family of paramagnetic dissymmetric compartmental ligands","Chem. Commun.","2017","","","","","10.1039/C7CC03236F","","","0.71073","MoKα","","0.0379","0.029","","","0.0679","0.0741","","","","","","1.086","","","","has coordinates,has disorder","196914","2020-10-21","18:00:00",""
"7120177","12.8538","0.0006","12.8545","0.0005","14.0294","0.0006","92.824","0.002","92.716","0.002","92.592","0.002","2310.02","0.17","293","2","293","2","","","","","","","","7","P -1","-P 1","2","","","","- C34 H32 Br Co2 F18 N4 O9 -","- C34 H32 Br Co2 F18 N4 O9 -","- C68 H64 Br2 Co4 F36 N8 O18 -","2","1","","Andruh, Marius; Patrascu, Andrei; Calancea, Sergiu; Briganti, Matteo; Soriano, Stephane Serge Yves Gerome; Madalan, Augustin M.; Cassaro, Rafael A. A.; Caneschi, Andrea; Totti, Federico; Vaz, Maria G. F.","Chimeric design of heterospin 2p-3d, 2p-4f, and 2p-3d-4f complexes using a novel family of paramagnetic dissymmetric compartmental ligands","Chem. Commun.","2017","","","","","10.1039/C7CC03236F","","","0.71073","MoKα","","0.199","0.0618","","","0.1065","0.1443","","","","","","0.995","","","","has coordinates,has disorder","196914","2020-10-21","18:00:00",""
"7120178","22.9813","0.0008","12.2926","0.0004","20.8211","0.0007","90","","112.084","0.002","90","","5450.4","0.3","293","2","293","2","","","","","","","","8","P 1 21/c 1","-P 2ybc","14","","","","- C39 H33 Br Co Dy F24 N4 O11 -","- C39 H33 Br Co Dy F24 N4 O11 -","- C156 H132 Br4 Co4 Dy4 F96 N16 O44 -","4","1","","Andruh, Marius; Patrascu, Andrei; Calancea, Sergiu; Briganti, Matteo; Soriano, Stephane Serge Yves Gerome; Madalan, Augustin M.; Cassaro, Rafael A. A.; Caneschi, Andrea; Totti, Federico; Vaz, Maria G. F.","Chimeric design of heterospin 2p-3d, 2p-4f, and 2p-3d-4f complexes using a novel family of paramagnetic dissymmetric compartmental ligands","Chem. Commun.","2017","","","","","10.1039/C7CC03236F","","","0.71073","MoKα","","0.0795","0.0448","","","0.084","0.0971","","","","","","1.058","","","","has coordinates,has disorder","196914","2020-10-21","18:00:00",""
"7120179","6.61358","0.00013","31.881","0.002","16.8079","0.0012","90","","90","","90","","3543.9","0.3","293","","293","","","","","","","","","6","C m m m","-C 2 2","65","","Co-Al-PMOF","","- C96 H66.2 Al4 Co2 N8 O27.1 -","- C96 H52 Al4 Co2 N8 O27.104 -","- C96 H52 Al4 Co2 N8 O27.104 -","1","0.0625","","Lions, Mathieu; Tomasino, Jean-Bernard; Chattot, Raphael; Abeykoon, Brain; Guillou, Nathalie; Devic, Thomas; Demessence, Aude; Cardenas, Luis; Maillard, Frederic; Fateeva, Alexandra","Insights into the mechanism of electrocatalysis of oxygen reduction reaction by a porphyrinic metal organic framework","Chem. Commun.","2017","","","","","10.1039/C7CC02113E","powder diffraction","","1.5406","CuKa1radiation","","","","","","","","","0.005","2.4","","","","","","","has coordinates","196915","2020-10-21","18:00:00",""
"7120180","16.2998","0.001","10.3533","0.0006","7.8903","0.0005","90","","90","","90","","1331.54","0.14","296","2","296","2","","","","","","","","4","P c a 21","P 2c -2ac","29","","","","- C14 H13 F3 O3 -","- C14 H13 F3 O3 -","- C56 H52 F12 O12 -","4","1","","Liu, Zhicheng; Bai, Yihui; Zhang, Jian; Yu, Yongqi; Tan, Ze; Zhu, Gangguo","Copper-catalyzed acyltrifluoromethylation of alkenes: rapid access to trifluoroethyl indanones and related compounds","Chem. Commun.","2017","","","","","10.1039/C7CC02537H","","","0.71073","MoKα","","0.0781","0.0475","","","0.1244","0.1512","","","","","","0.922","","","","has coordinates","196916","2020-10-21","18:00:00",""
"7120181","17.4289","0.001","9.98","0.0005","28.046","0.0014","90","","90","","90","","4878.3","0.4","293.8","0.3","293.8","0.3","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C28 H30 N2 O4 -","- C28 H30 N2 O4 -","- C224 H240 N16 O32 -","8","1","","He, Yi; Li, Zhenghua; Tian, Guilong; Song, Liangliang; Van Meervelt, Luc; Van der Eycken, Erik V�lery","Gold-catalyzed diastereoselective domino dearomatization/ipso-cyclization/aza-Michael sequence: A facile access to diverse fused azaspiro tetracyclic scaffolds","Chem. Commun.","2017","","","","","10.1039/C7CC03152A","","x-ray","0.71073","MoKα","","0.1001","0.0732","","","0.1971","0.2238","","","","","","1.045","","","","has coordinates","196917","2020-10-21","18:00:00",""
"7120182","10.4037","0.0008","10.4037","0.0008","10.4037","0.0008","90","","90","","90","","1126.07","0.15","343","2","343","2","","","","","","","","6","P m -3 m","-P 4 2 3","221","","","","- C12 Br6 Co3 N12 O14 Pt3 -","- C12 Br6 Co3 N12 O14 Pt3 -","- C12 Br6 Co3 N12 O14 Pt3 -","1","0.0208333","","Okamura, Takuro; Wu, Bin; Iguchi, Hiroaki; Breedlove, Brian K.; Yamashita, Masahiro; Kosaka, Wataru; Miyasaka, Hitoshi; Takaishi, Shinya","Three Dimensional Porous Hofmann Clathrate [MIIPtII(CN)4]∞(M = Co, Ni) Synthesized by Using Postsynthetic Reductive Elimination","Chem. Commun.","2017","","","","","10.1039/C7CC01766A","","","0.71073","MoKα","","0.0209","0.0199","","","0.053","0.0537","","","","","","1.14","","","","has coordinates","196918","2020-10-21","18:00:00",""
"7120183","14.997","0.003","14.997","0.003","17.444","0.004","90","","90","","120","","3397.7","1.2","566","2","566","2","","","","","","","","6","R -3 m :H","-R 3 2""","166","","","","- C4 Br2 Co N4 O5.33 Pt -","- C4 Br2 Co N4 O5.33333 Pt -","- C36 Br18 Co9 N36 O48 Pt9 -","9","0.25","","Okamura, Takuro; Wu, Bin; Iguchi, Hiroaki; Breedlove, Brian K.; Yamashita, Masahiro; Kosaka, Wataru; Miyasaka, Hitoshi; Takaishi, Shinya","Three Dimensional Porous Hofmann Clathrate [MIIPtII(CN)4]∞(M = Co, Ni) Synthesized by Using Postsynthetic Reductive Elimination","Chem. Commun.","2017","","","","","10.1039/C7CC01766A","","","0.71073","MoKα","","0.0395","0.0376","","","0.0818","0.0824","","","","","","1.17","","","","has coordinates","196918","2020-10-21","18:00:00",""
"7120184","10.338","0.009","10.338","0.009","10.338","0.009","90","","90","","90","","1104.9","1.7","296","2","296","2","","","","","","","","6","P m -3 m","-P 4 2 3","221","","","","- C12 Br6 N12 Ni3 O14 Pt3 -","- C12 Br6 N12 Ni3 O14 Pt3 -","- C12 Br6 N12 Ni3 O14 Pt3 -","1","0.0208333","","Okamura, Takuro; Wu, Bin; Iguchi, Hiroaki; Breedlove, Brian K.; Yamashita, Masahiro; Kosaka, Wataru; Miyasaka, Hitoshi; Takaishi, Shinya","Three Dimensional Porous Hofmann Clathrate [MIIPtII(CN)4]∞(M = Co, Ni) Synthesized by Using Postsynthetic Reductive Elimination","Chem. Commun.","2017","","","","","10.1039/C7CC01766A","","","0.71073","MoKα","","0.0347","0.0292","","","0.0646","0.0662","","","","","","1.115","","","","has coordinates","196918","2020-10-21","18:00:00",""
"7120185","4.8131","0.0005","11.3992","0.0012","13.8148","0.0014","92.391","0.004","98.154","0.004","101.569","0.003","733.12","0.13","200","2","200","2","","","","","","","","4","P -1","-P 1","2","C15H14N2O5","pCOOH-BI-CO2Me","","- C15 H14 N2 O5 -","- C15 H14 N2 O5 -","- C30 H28 N4 O10 -","2","1","","Dolgopolova, Ekaterina A.; Moore, Thomas; Ejegbavwo, Otega; Pellechia, Perry J.; Smith, Mark D.; Shustova, Natalia","A Metal-Organic Framework as a Flask: Photophysics of Confined Chromophores with a Benzylidene Imidazolinone Core","Chem. Commun.","2017","","","","","10.1039/C7CC02253K","","x-ray","0.71073","MoKα","","0.1037","0.0545","","","0.0936","0.1103","","","","","","1.146","","","","has coordinates","196951","2020-10-21","18:00:00",""
"7120186","7.2557","0.0004","12.9984","0.0006","14.6568","0.0008","106.072","0.002","97.728","0.002","95.999","0.002","1301.56","0.12","100","2","100","2","","","","","","","","4","P -1","-P 1","2","","pCOOH-BI","","- C26.82 H28.56 N4 O7.95 -","- C26.826 H27.972 N4 O7.948 -","- C53.652 H55.944 N8 O15.896 -","2","1","","Dolgopolova, Ekaterina A.; Moore, Thomas; Ejegbavwo, Otega; Pellechia, Perry J.; Smith, Mark D.; Shustova, Natalia","A Metal-Organic Framework as a Flask: Photophysics of Confined Chromophores with a Benzylidene Imidazolinone Core","Chem. Commun.","2017","","","","","10.1039/C7CC02253K","","x-ray","0.71073","MoKα","","0.0703","0.0484","","","0.1166","0.128","","","","","","1.018","","","","has coordinates,has disorder","196951","2020-10-21","18:00:00",""
"7120187","9.287","0.002","10.555","0.002","12.485","0.003","90","","95.78","0.004","90","","1217.6","0.5","293.15","","293.15","","","","","","","","","6","P 1 21 1","P 2yb","4","","(R)-4,5-bis(4-fluorophenyl)-2-phenyl-1-tosyl-2,3-dihydro-1H-pyrrole","","- C29 H23 F2 N O2 S -","- C29 H23 F2 N O2 S -","- C58 H46 F4 N2 O4 S2 -","2","1","","Wang, Ze-Shu; Tan, Tong-De; Wang, Cai-Ming; Yuan, Ding-Qiang; Zhang, Te; zhu, pengfei; Zhu, Chunyin; Zhou, Jin-Mei; Ye, Long-Wu","Dual Gold/Photoredox-Catalyzed Bis-Arylative Cyclization of Chiral Homopropargyl Sulfonamides with Diazonium Salts: Rapid Access to Enantioenriched 2,3-Dihydropyrroles","Chem. Commun.","2017","","","","","10.1039/C7CC03262E","","","0.71073","MoKα","","0.047","0.0461","","","0.1165","0.1172","","","","","","1.125","","","","has coordinates","196952","2020-10-21","18:00:00",""
"7120188","7.4064","0.0007","21.498","0.002","10.1255","0.001","90","","107.8","0.002","90","","1535","0.3","296","2","296","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C17 H18 N4 O -","- C17 H18 N4 O -","- C68 H72 N16 O4 -","4","1","","Yi, Hong; Chen, Hong; Bian, Changliang; Tang, Zilu; Singh, Atul K.; Qi, Xiaotian; Yue, Xiaoyu; Lan, Yu; Lee, Jyh-Fu; Lei, Aiwen","Coordination strategy induced selective C-H amination of 8-animoquinolines","Chem. Commun.","2017","","","","","10.1039/C7CC02601C","","","0.71073","MoKα","","0.1046","0.0501","","","0.1275","0.1536","","","","","","1.03","","","","has coordinates","196953","2020-10-21","18:00:00",""
"7120189","8.385","0.002","7.23","0.002","23.546","0.007","90","","91.54","0.006","90","","1426.9","0.7","296","2","296","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C15 H17 N O5 -","- C15 H17 N O5 -","- C60 H68 N4 O20 -","4","1","","Chen, Ming; Yu, Le; Ren, Zhi-Hui; Wang, Yao-Yu; Guan, Zheng-Hui","Palladium-catalyzed oxidative carbonylation of N-aryl enamino esters with CO and alcohols: synthesis of N-aryl aminomethylenemalonates","Chem. Commun.","2017","","","","","10.1039/C7CC02852K","","","0.71073","MoKα","","0.0675","0.0461","","","0.1183","0.1335","","","","","","1.019","","","","has coordinates","196978","2020-10-21","18:00:00",""
"7120190","10.619","0.0006","13.1044","0.0009","13.231","0.0007","95.734","0.005","98.239","0.004","112.608","0.006","1657.76","0.19","293","2","293","2","","","","","","","","4","P -1","-P 1","2","","","","- C21 H15 N3 O -","- C21 H15 N3 O -","- C84 H60 N12 O4 -","4","2","","Cao, Wen-Bing; Chu, Xue-Qiang; Zhou, Yu; Yin, Ling; Xu, Xiao-Ping; Ji, Shun-Jun","Copper-Catalyzed Construction of Eight-Membered Rings via Oxidative Ring Expansion and Intermolecular Cyclization Sequence of Indoles with Amidines: Efficient Synthesis of Benzo[1,3,5]triazocin-6(5H)-ones","Chem. Commun.","2017","","","","","10.1039/C7CC02815F","","","0.71073","MoKα","","0.1118","0.0824","","","0.2188","0.2461","","","","","","1.083","","","","has coordinates","202518","2020-10-21","18:00:00",""
"7120191","8.6108","0.0004","9.2715","0.0003","19.9066","0.001","82.497","0.004","88.246","0.004","74.495","0.004","1518.28","0.12","293","2","293","2","","","","","","","","4","P -1","-P 1","2","","","","- C18 H15 N3 O -","- C18 H15 N3 O -","- C72 H60 N12 O4 -","4","2","","Cao, Wen-Bing; Chu, Xue-Qiang; Zhou, Yu; Yin, Ling; Xu, Xiao-Ping; Ji, Shun-Jun","Copper-Catalyzed Construction of Eight-Membered Rings via Oxidative Ring Expansion and Intermolecular Cyclization Sequence of Indoles with Amidines: Efficient Synthesis of Benzo[1,3,5]triazocin-6(5H)-ones","Chem. Commun.","2017","","","","","10.1039/C7CC02815F","","","0.71073","MoKα","","0.0684","0.0453","","","0.1034","0.1218","","","","","","1.052","","","","has coordinates","196979","2020-10-21","18:00:00",""
"7120192","15.6","0.006","19.578","0.008","15.071","0.006","90","","103.371","0.009","90","","4478","3","293","2","293","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C28 H26 N2 O2 -","- C28 H26 N2 O2 -","- C224 H208 N16 O16 -","8","2","","wei, haipeng; Qiu, Tiancheng; Huang, Xiaobo; Zhou, Jun; Guo, Jing; Jiang, Chuanling; Luo, Sheng-lian; Zeng, Zebing; Wu, Jishan","A Facile Approach toward 1,2-Diazabenzo[ghi]perylene Derivatives: Structures and Electronic Properties","Chem. Commun.","2017","","","","","10.1039/C7CC03362A","","","0.71073","MoKα","","0.1929","0.0714","","","0.1911","0.2556","","","","","","0.966","","","","has coordinates,has disorder","196980","2020-10-21","18:00:00",""
"7120193","16.14","0.005","14.391","0.004","21.159","0.006","90","","103.057","0.003","90","","4788","2","296","2","296","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C33 H23 B F2 N2 -","- C33 H23 B F2 N2 -","- C264 H184 B8 F16 N16 -","8","1","","Zhou, Zhikuan; Zhou, Jianping; Gai, Lizhi; Yuan, Aihua; Shen, Zhen","Naphtho[b]-fused BODIPYs: one pot Suzuki-Miyaura-Knoevenagel synthesis and photophysical properties","Chem. Commun.","2017","","","","","10.1039/C7CC02918G","","","0.71073","MoKα","","0.1345","0.0878","","","0.2144","0.2539","","","","","","1.155","","","","has coordinates","196981","2020-10-21","18:00:00",""
"7120194","21.11","0.008","10.94","0.004","20.341","0.012","90","","118.052","0.003","90","","4146","3","296","2","296","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","BODIPY","","","- C26 H21 B F2 N2 -","- C26 H21 B F2 N2 -","- C208 H168 B8 F16 N16 -","8","1","","Zhou, Zhikuan; Zhou, Jianping; Gai, Lizhi; Yuan, Aihua; Shen, Zhen","Naphtho[b]-fused BODIPYs: one pot Suzuki-Miyaura-Knoevenagel synthesis and photophysical properties","Chem. Commun.","2017","","","","","10.1039/C7CC02918G","","","0.71073","MoKα","","0.1224","0.0772","","","0.14","0.2344","","","","","","1.02","","","","has coordinates","196981","2020-10-21","18:00:00",""
"7120195","16.874","0.0004","8.2225","0.0002","11.5745","0.0003","90","","92.962","0.002","90","","1603.78","0.07","294.39","0.1","294.39","0.1","","","","","","","","3","C 1 2 1","C 2y","5","","","","- C20 H16 O4 -","- C20 H16 O4 -","- C80 H64 O16 -","4","1","","Zheng, Haifeng; Xu, Chaoran; Wang, Yan; Kang, Tengfei; Liu, Xiaohua; Lin, Lili; Feng, Xiaoming","Catalytic Asymmetric [2+2] Cycloaddition between Quinones and Fulvenes and a Subsequent Stereoselective Isomerization to 2,3-Dihydrobenzofurans","Chem. Commun.","2017","","","","","10.1039/C7CC03211K","","x-ray","1.54184","CuKα","","0.0517","0.0508","","","0.1295","0.1316","","","","","","1.074","","","","has coordinates","196982","2020-10-21","18:00:00",""
"7120196","7.67071","0.00016","13.2339","0.0002","9.603","0.0002","90","","112.936","0.003","90","","897.76","0.04","125","","125","","","","","","","","","3","P 1 21 1","P 2yb","4","","","","- C22 H18 O6 -","- C22 H18 O6 -","- C44 H36 O12 -","2","1","","Zheng, Haifeng; Xu, Chaoran; Wang, Yan; Kang, Tengfei; Liu, Xiaohua; Lin, Lili; Feng, Xiaoming","Catalytic Asymmetric [2+2] Cycloaddition between Quinones and Fulvenes and a Subsequent Stereoselective Isomerization to 2,3-Dihydrobenzofurans","Chem. Commun.","2017","","","","","10.1039/C7CC03211K","","x-ray","1.54184","CuKα","","0.0433","0.043","","","0.1124","0.1129","","","","","","1.063","","","","has coordinates","196982","2020-10-21","18:00:00",""
"7120197","25.792","0.005","30.143","0.006","39.026","0.008","90","","96.73","0.03","90","","30132","11","100","","100","","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","phenyl IP foldamer","","- C165 H149 N13 O6 -","- C165 H149 N13 O6 -","- C1320 H1192 N104 O48 -","8","2","","Kim, Junyoung; Jeon, Hae-Geun; Kang, Philjae; Jeong, Kyu-Sung","Stereospecific control of the helical orientation of indolocarbazole‒pyridine hybrid foldamers by rational modification of terminal chiral appendages","Chem. Commun.","2017","","","","","10.1039/C7CC03552G","","","0.63","synchrotron","","0.1836","0.0809","","","0.2175","0.2637","","","","","","0.915","","","","has coordinates,has disorder","198632","2020-10-21","18:00:00",""
"7120198","18.4463","0.0012","18.6186","0.0012","27.4771","0.0017","76.253","0.003","73.468","0.003","68.847","0.003","8340.5","0.9","100","","100","","","","","","","","","4","P -1","-P 1","2","","methoxy naphthyl IP heptamer","","- C175 H157 N13 O8 -","- C175 H157 N13 O8 -","- C350 H314 N26 O16 -","2","1","","Kim, Junyoung; Jeon, Hae-Geun; Kang, Philjae; Jeong, Kyu-Sung","Stereospecific control of the helical orientation of indolocarbazole‒pyridine hybrid foldamers by rational modification of terminal chiral appendages","Chem. Commun.","2017","","","","","10.1039/C7CC03552G","","","0.71073","MoKα","","0.0949","0.0618","","","0.1711","0.1867","","","","","","1.199","","","","has coordinates","198632","2020-10-21","18:00:00",""
"7120199","25.256","0.005","26.729","0.005","9.538","0.0019","90","","90","","90","","6439","2","100","2","100","2","","","","","","","","4","P 21 21 2","P 2 2ab","18","","","","- C44 H114 N10 O30 -","- C44 H78 N10 O12 -","- C176 H312 N40 O48 -","4","1","","Silk, Mitchell; Newman, Janet; Ratcliffe, Julian; White, Jacinta; Caradoc-Davies, Tom; Price, Jason R.; Perrier, Sebastien; Thompson, Philip Evan; Chalmers, David K.","Parallel and Antiparallel Cyclic D/L Peptide Nanotubes","Chem. Commun.","2017","","","","","10.1039/C7CC00846E","","","0.71073","synchrotron","","0.1277","0.0713","","","0.1768","0.2103","","","","","","0.967","","","","has coordinates,has disorder","197052","2020-10-21","18:00:00",""
"7120200","29.78","0.006","4.7","0.0009","20.22","0.004","90","","100.38","0.03","90","","2783.8","1","100","2","100","2","","","","","","","","5","C 1 2 1","C 2y","5","","","","- C38 H66 F18 N10 O15 -","- C38 H58 F12 N10 O15 -","- C76 H116 F24 N20 O30 -","2","0.5","","Silk, Mitchell; Newman, Janet; Ratcliffe, Julian; White, Jacinta; Caradoc-Davies, Tom; Price, Jason R.; Perrier, Sebastien; Thompson, Philip Evan; Chalmers, David K.","Parallel and Antiparallel Cyclic D/L Peptide Nanotubes","Chem. Commun.","2017","","","","","10.1039/C7CC00846E","","","0.95369","synchrotron","","0.1152","0.1068","","","0.2794","0.2918","","","","","","1.211","","","","has coordinates,has disorder","197052","2020-10-21","18:00:00",""
"7120201","6.2841","0.0015","10.607","0.004","18.103","0.004","98.128","0.006","97.616","0.005","96.18","0.01","1174.1","0.6","100","2","100","2","","","","","","","","3","P -1","-P 1","2","","","","- C12 H18 O5 -","- C12 H18 O5 -","- C48 H72 O20 -","4","2","","Kontham, Ravindar; Kambale, Digambar Abasaheb; Thorat, Sagar Sudam; Pratapure, Madhukar Shivaji; Gonnade, Rajesh G.","Lewis acid catalyzed cascade annulation of alkynols with α-ketoesters: A facile access to γ-spiroketal-γ-lactones","Chem. Commun.","2017","","","","","10.1039/C7CC03668J","","","0.71073","MoKα","","0.1002","0.0733","","","0.132","0.1418","","","","","","1.148","","","","has coordinates","197053","2020-10-21","18:00:00",""
"7120202","10.7173","0.0008","22.603","0.0013","8.9795","0.0006","90","","113.612","0.002","90","","1993.1","0.2","100","2","100","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C25 H26 O3 -","- C25 H26 O3 -","- C100 H104 O12 -","4","1","","Kontham, Ravindar; Kambale, Digambar Abasaheb; Thorat, Sagar Sudam; Pratapure, Madhukar Shivaji; Gonnade, Rajesh G.","Lewis acid catalyzed cascade annulation of alkynols with α-ketoesters: A facile access to γ-spiroketal-γ-lactones","Chem. Commun.","2017","","","","","10.1039/C7CC03668J","","","0.71073","MoKα","","0.0826","0.0701","","","0.1371","0.1428","","","","","","1.136","","","","has coordinates","197053","2020-10-21","18:00:00",""
"7120203","7.3783","0.0011","8.2958","0.0012","14.771","0.002","80.166","0.007","82.665","0.008","70.592","0.007","837.8","0.2","100","2","100","2","","","","","","","","3","P -1","-P 1","2","","","","- C20 H24 O4 -","- C20 H24 O4 -","- C40 H48 O8 -","2","1","","Kontham, Ravindar; Kambale, Digambar Abasaheb; Thorat, Sagar Sudam; Pratapure, Madhukar Shivaji; Gonnade, Rajesh G.","Lewis acid catalyzed cascade annulation of alkynols with α-ketoesters: A facile access to γ-spiroketal-γ-lactones","Chem. Commun.","2017","","","","","10.1039/C7CC03668J","","","0.71073","MoKα","","0.0694","0.0492","","","0.1095","0.1192","","","","","","1.03","","","","has coordinates","197053","2020-10-21","18:00:00",""
"7120204","6.4777","0.0002","8.9647","0.0002","13.3928","0.0003","93.616","0.001","92.612","0.001","93.62","0.002","773.67","0.03","100","2","100","2","","","","","","","","3","P -1","-P 1","2","","","","- C19 H22 O3 -","- C19 H22 O3 -","- C38 H44 O6 -","2","1","","Kontham, Ravindar; Kambale, Digambar Abasaheb; Thorat, Sagar Sudam; Pratapure, Madhukar Shivaji; Gonnade, Rajesh G.","Lewis acid catalyzed cascade annulation of alkynols with α-ketoesters: A facile access to γ-spiroketal-γ-lactones","Chem. Commun.","2017","","","","","10.1039/C7CC03668J","","","0.71073","MoKα","","0.0577","0.0456","","","0.1036","0.1097","","","","","","1.07","","","","has coordinates","197053","2020-10-21","18:00:00",""
"7120205","12.5888","0.0015","19.163","0.003","6.1053","0.0007","90","","90","","90","","1472.8","0.3","100","2","100","2","","","","","","","","3","P n a 21","P 2c -2n","33","","","","- C18 H20 O4 -","- C18 H20 O4 -","- C72 H80 O16 -","4","1","","Kontham, Ravindar; Kambale, Digambar Abasaheb; Thorat, Sagar Sudam; Pratapure, Madhukar Shivaji; Gonnade, Rajesh G.","Lewis acid catalyzed cascade annulation of alkynols with α-ketoesters: A facile access to γ-spiroketal-γ-lactones","Chem. Commun.","2017","","","","","10.1039/C7CC03668J","","","0.71073","MoKα","","0.1019","0.0858","","","0.1674","0.1744","","","","","","1.156","","","","has coordinates","197053","2020-10-21","18:00:00",""
"7120206","18.6158","0.0016","18.2847","0.0014","24.601","0.002","90","","90","","90","","8373.8","1.2","273","","273","","","","","","","","","5","P b c n","-P 2n 2ab","60","","","","- C103 H84 Ag2 N10 Pt2 -","- C103 H84 Ag2 N10 Pt2 -","- C412 H336 Ag8 N40 Pt8 -","4","0.5","","Ueda, Misa; Horiuchi, Shinnosuke; Sakuda, Eri; Nakao, Yoshihide; Arikawa, Yasuhiro; Umakoshi, Keisuke","Reversible formation and cleavage of Pt→Ag dative bonds in a pre-organized cavity of a luminescent heteropolynuclear platinum(ii) complex","Chem. Commun.","2017","","","","","10.1039/C7CC03447D","","","0.71075","MoKα","","0.0308","0.0264","","","0.0536","0.0552","","","","","","1.096","","","","has coordinates,has disorder","197054","2020-10-21","18:00:00",""
"7120207","23.523","0.005","14.927","0.003","19.897","0.005","90","","109.989","0.003","90","","6566","3","273","","273","","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C82 H56 Ag2 F4 N10 Pt2 -","- C82 H56 Ag2 F4 N10 Pt2 -","- C328 H224 Ag8 F16 N40 Pt8 -","4","1","","Ueda, Misa; Horiuchi, Shinnosuke; Sakuda, Eri; Nakao, Yoshihide; Arikawa, Yasuhiro; Umakoshi, Keisuke","Reversible formation and cleavage of Pt→Ag dative bonds in a pre-organized cavity of a luminescent heteropolynuclear platinum(ii) complex","Chem. Commun.","2017","","","","","10.1039/C7CC03447D","","","0.71075","MoKα","","0.1125","0.081","","","0.1308","0.1465","","","","","","1.164","","","","has coordinates","197054","2020-10-21","18:00:00",""
"7120208","14.001","0.002","16.562","0.003","20.395","0.004","101.594","0.002","101.99","0.002","100.392","0.002","4408.3","1.3","273","","273","","","","","","","","","8","P -1","-P 1","2","","","","- C85.8 H67 Ag3 B Cl4.2 F4 N10 Pt2 -","- C85.8 H67 Ag3 B Cl4.2 F4 N10 Pt2 -","- C171.6 H134 Ag6 B2 Cl8.4 F8 N20 Pt4 -","2","1","","Ueda, Misa; Horiuchi, Shinnosuke; Sakuda, Eri; Nakao, Yoshihide; Arikawa, Yasuhiro; Umakoshi, Keisuke","Reversible formation and cleavage of Pt→Ag dative bonds in a pre-organized cavity of a luminescent heteropolynuclear platinum(ii) complex","Chem. Commun.","2017","","","","","10.1039/C7CC03447D","","","0.71075","MoKα","","0.0862","0.0698","","","0.1741","0.1886","","","","","","1.061","","","","has coordinates,has disorder","197054","2020-10-21","18:00:00",""
"7120209","15.354","0.002","20.314","0.003","23.041","0.004","90","","93.005","0.002","90","","7176.6","1.9","273","","273","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C42 H34 Cl3 N5 Pt -","- C42 H34 Cl3 N5 Pt -","- C336 H272 Cl24 N40 Pt8 -","8","2","","Ueda, Misa; Horiuchi, Shinnosuke; Sakuda, Eri; Nakao, Yoshihide; Arikawa, Yasuhiro; Umakoshi, Keisuke","Reversible formation and cleavage of Pt→Ag dative bonds in a pre-organized cavity of a luminescent heteropolynuclear platinum(ii) complex","Chem. Commun.","2017","","","","","10.1039/C7CC03447D","","","0.71075","MoKα","","0.0909","0.0655","","","0.1203","0.134","","","","","","1.082","","","","has coordinates","197054","2020-10-21","18:00:00",""
"7120210","19.5452","0.0002","19.5452","0.0002","10.9099","0.0001","90","","90","","120","","3609.37","0.06","173","0.1","173","0.1","","","","","","","","5","R 3","R 3","146","","","","- C17 H13 Cl N4 O -","- C17 H13 Cl N4 O -","- C153 H117 Cl9 N36 O9 -","9","","","Enders, Dieter; Mahajan, Suruchi; Chauhan, Pankaj; Kaya, Uğur; Deckers, Kristina; Rissanen, Kari","Enantioselective synthesis of pyrazolone α-aminonitrile derivatives via an organocatalytic Strecker reaction","Chem. Commun.","2017","","","","","10.1039/C7CC02874A","","","0.71073","MoKα","","0.0308","0.0276","","","0.0671","0.0686","","","","","","1.037","","","","has coordinates","197112","2020-10-21","18:00:00",""
"7120211","9.5909","0.0018","12.641","0.003","13.035","0.003","90","","90","","90","","1580.3","0.6","123","","123","","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C17 H17 N O4 S -","- C17 H17 N O4 S -","- C68 H68 N4 O16 S4 -","4","1","","Kishi, Kenta; Arteaga, Fernando Arteaga; Takizawa, Shinobu; Sasai, Hiroaki","Multifunctional Catalysis: Stereoselective Construction of α-Methylidene-γ-Lactams via Amidation/Rauhut‒Currier Sequence","Chem. Commun.","2017","","","","","10.1039/C7CC02839C","","","0.71075","MoKα","","","0.0388","","","","0.1174","","","","","","1.002","","","","has coordinates","197113","2020-10-21","18:00:00",""
"7120212","7.1986","0.0003","8.6106","0.0004","20.1002","0.0008","89.502","0.006","82.04","0.006","89.728","0.006","1233.84","0.09","123","","123","","","","","","","","","4","P -1","-P 1","2","","","","- C13 H14 N2 O3 -","- C13 H14 N2 O3 -","- C52 H56 N8 O12 -","4","2","","Yuasa, Junpei; Nakagawa, Takafumi; Kita, Yuki; Kaito, Ayaka; KAWAI, TSUYOSHI","Photoactivatable Europium Luminescence Turn-On by Photo-Oxygenation of β-Diketone Having Pyrrole Rings","Chem. Commun.","2017","","","","","10.1039/C7CC03753H","","","0.71075","MoKα","","0.1032","0.0907","","","0.1713","0.1768","","","","","","1.119","","","","has coordinates,has disorder","197114","2020-10-21","18:00:00",""
"7120213","7.556","0.004","7.455","0.005","13.174","0.008","90","","104.89","0.03","90","","717.2","0.8","103","2","103","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C4 H12 B2 I4 S2 -","- C4 H12 B2 I4 S2 -","- C8 H24 B4 I8 S4 -","2","0.5","","Arrowsmith, Merle; Böhnke, Julian; Braunschweig, Holger; Deißenberger, Andrea; Dewhurst, Rian David; Ewing, William; Hörl, Christian; Mies, Jan; Muessig, Jonas","Simple Solution-Phase Syntheses of Tetrahalodiboranes(4) and their Labile Dimethylsulfide Adducts","Chem. Commun.","2017","","","","","10.1039/C7CC03148C","","","0.71073","MoKα","","0.0178","0.0171","","","0.0402","0.0405","","","","","","1.142","","","","has coordinates","197115","2020-10-21","18:00:00",""
"7120214","7.4726","0.0004","7.2585","0.0004","12.385","0.0008","90","","107.281","0.002","90","","641.44","0.06","103","2","103","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C4 H12 B2 Br4 S2 -","- C4 H12 B2 Br4 S2 -","- C8 H24 B4 Br8 S4 -","2","0.5","","Arrowsmith, Merle; Böhnke, Julian; Braunschweig, Holger; Deißenberger, Andrea; Dewhurst, Rian David; Ewing, William; Hörl, Christian; Mies, Jan; Muessig, Jonas","Simple Solution-Phase Syntheses of Tetrahalodiboranes(4) and their Labile Dimethylsulfide Adducts","Chem. Commun.","2017","","","","","10.1039/C7CC03148C","","","0.71073","MoKα","","0.0157","0.0148","","","0.0376","0.038","","","","","","1.129","","","","has coordinates","197115","2020-10-21","18:00:00",""
"7120215","9.9144","0.0006","10.8859","0.0007","11.2982","0.0007","90","","90","","90","","1219.38","0.13","100","2","100","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C4 H12 B2 Cl4 S2 -","- C4 H12 B2 Cl4 S2 -","- C16 H48 B8 Cl16 S8 -","4","0.5","","Arrowsmith, Merle; Böhnke, Julian; Braunschweig, Holger; Deißenberger, Andrea; Dewhurst, Rian David; Ewing, William; Hörl, Christian; Mies, Jan; Muessig, Jonas","Simple Solution-Phase Syntheses of Tetrahalodiboranes(4) and their Labile Dimethylsulfide Adducts","Chem. Commun.","2017","","","","","10.1039/C7CC03148C","","","0.71073","MoKα","","0.0176","0.0168","","","0.0441","0.0446","","","","","","1.089","","","","has coordinates","197115","2020-10-21","18:00:00",""
"7120216","7.9966","0.0004","10.5907","0.0006","11.7348","0.0006","90","","90","","90","","993.82","0.09","297","2","297","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C11 H12 O S -","- C11 H12 O S -","- C44 H48 O4 S4 -","4","1","","Xiong, Donglu; Zhou, Wenxi; Lu, Zhiwu; Zeng, Suping; Wang, Jun","A Highly Enantioselective Access to Chiral Chromanones and Thiochromanones by Copper-Catalyzed Asymmetric Conjugated Reduction of Chromones and Thiochromones","Chem. Commun.","2017","","","","","10.1039/C7CC03939E","","","0.71073","MoKα","","0.0509","0.0377","","","0.1172","0.128","","","","","","0.956","","","","has coordinates","197116","2020-10-21","18:00:00",""
"7120217","12.0226","0.0007","12.9527","0.0008","14.7191","0.0009","114.832","0.0007","107.053","0.0007","95.6588","0.0008","1922.7","0.2","200","2","200","2","","","","","","","","6","P 1","P 1","1","","","","- C47 H63 Mo12 N14 O45 P -","- C47 H63 Mo12 N14 O45 P -","- C47 H63 Mo12 N14 O45 P -","1","1","","Nakamura, Ippei; Tsunashima, Ryo; Nishihara, Sadafumi; Inoue, Katsuya; Akutagawa, Tomoyuki","A dielectric anomaly observed for doubly reduced mixed-valence polyoxometalate","Chem. Commun.","2017","","","","","10.1039/C7CC03361C","","","0.71073","MoKα","","0.0767","0.0505","","","0.123","0.1485","","","","","","0.846","","","","has coordinates","197181","2020-10-21","18:00:00",""
"7120218","11.997","0.0007","12.902","0.0007","14.6379","0.0008","114.666","0.0007","106.786","0.0007","95.9885","0.0007","1904.3","0.18","123","","123","","","","","","","","","6","P 1","P 1","1","","","","- C47 H63 Mo12 N14 O45 P -","- C47 H63 Mo12 N14 O45 P -","- C47 H63 Mo12 N14 O45 P -","1","1","","Nakamura, Ippei; Tsunashima, Ryo; Nishihara, Sadafumi; Inoue, Katsuya; Akutagawa, Tomoyuki","A dielectric anomaly observed for doubly reduced mixed-valence polyoxometalate","Chem. Commun.","2017","","","","","10.1039/C7CC03361C","","","0.71073","MoKα","","0.0697","0.0498","","","0.124","0.1425","","","","","","0.85","","","","has coordinates","197181","2020-10-21","18:00:00",""
"7120219","13.66","0.006","14.163","0.006","32.542","0.014","90","0.0019","96.619","0.002","90","0.0019","6254","5","100","2","100","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C54 H47 Mo6 N2 O24 P2.5 -","- C54 H47 Mo6 N2 O24 P2.5 -","- C216 H188 Mo24 N8 O96 P10 -","4","1","","Nakamura, Ippei; Tsunashima, Ryo; Nishihara, Sadafumi; Inoue, Katsuya; Akutagawa, Tomoyuki","A dielectric anomaly observed for doubly reduced mixed-valence polyoxometalate","Chem. Commun.","2017","","","","","10.1039/C7CC03361C","","","0.7107","MoKα","","0.0839","0.0682","","","0.2077","0.2243","","","","","","1.249","","","","has coordinates","197181","2020-10-21","18:00:00",""
"7120220","12.8074","0.0002","12.9424","0.0002","13.237","","62.519","0.003","79.896","0.004","89.318","0.004","1910.38","0.08","173","2","173","2","","","","","","","","6","P -1","-P 1","2","","","","- C21 H32 Mo6 N6 O25 P0.5 -","- C21 H32 Mo6 N6 O25 P0.5 -","- C42 H64 Mo12 N12 O50 P -","2","1","","Nakamura, Ippei; Tsunashima, Ryo; Nishihara, Sadafumi; Inoue, Katsuya; Akutagawa, Tomoyuki","A dielectric anomaly observed for doubly reduced mixed-valence polyoxometalate","Chem. Commun.","2017","","","","","10.1039/C7CC03361C","","","0.7107","MoKα","","0.0702","0.069","","","0.2559","0.2586","","","","","","2.147","","","","has coordinates","197181","2020-10-21","18:00:00",""
"7120221","12.0275","0.0004","12.9977","0.0004","14.4568","0.0005","114.819","0.0003","106.153","0.0003","95.9987","0.0004","1905.78","0.11","117","","117","","","","","","","","","6","P -1","-P 1","2","","","","- C46 H36 B N14 O51 W12 -","- C46 H36 B N14 O51 W12 -","- C46 H36 B N14 O51 W12 -","1","0.5","","Nakamura, Ippei; Tsunashima, Ryo; Nishihara, Sadafumi; Inoue, Katsuya; Akutagawa, Tomoyuki","A dielectric anomaly observed for doubly reduced mixed-valence polyoxometalate","Chem. Commun.","2017","","","","","10.1039/C7CC03361C","","","0.71073","MoKα","","0.0553","0.0537","","","0.2362","0.2378","","","","","","2.123","","","","has coordinates,has disorder","197181","2020-10-21","18:00:00",""
"7120222","12.0562","0.0009","13.016","0.001","14.7842","0.0011","115.035","0.0009","107.201","0.001","95.3912","0.001","1942.6","0.3","270","2","270","2","","","","","","","","6","P 1","P 1","1","","","","- C44 H60 Mo12 N14 O44 P -","- C47 H62 Mo12 N14 O45 P -","- C47 H62 Mo12 N14 O45 P -","1","1","","Nakamura, Ippei; Tsunashima, Ryo; Nishihara, Sadafumi; Inoue, Katsuya; Akutagawa, Tomoyuki","A dielectric anomaly observed for doubly reduced mixed-valence polyoxometalate","Chem. Commun.","2017","","","","","10.1039/C7CC03361C","","","0.71073","MoKα","","0.1161","0.0655","","","0.1519","0.1877","","","","","","0.925","","","","has coordinates","197181","2020-10-21","18:00:00",""
"7120223","9.4858","0.0018","11.987","0.002","15.459","0.003","90","","90","","90","","1757.8","0.6","296","2","296","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C16 H27 Cl N2 Si -","- C16 H27 Cl N2 Si -","- C64 H108 Cl4 N8 Si4 -","4","1","","Swamy, V.S.V.S.N.; Bisai, Milan Kumar; Das, Tamal; Sen, Sakya Singha","Metal free mild and selective aldehyde cyanosilylation by a neutral penta-coordinate silicon compound","Chem. Commun.","2017","","","","","10.1039/C7CC03948D","","","0.71073","MoKα","","0.0703","0.0646","","","0.184","0.1896","","","","","","1.151","","","","has coordinates","197182","2020-10-21","18:00:00",""
"7120224","9.527","0.003","12.162","0.004","15.346","0.005","90","","90","","90","","1778.1","1","296","2","296","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C17 H27 N3 Si -","- C17 H27 N3 Si -","- C68 H108 N12 Si4 -","4","1","","Swamy, V.S.V.S.N.; Bisai, Milan Kumar; Das, Tamal; Sen, Sakya Singha","Metal free mild and selective aldehyde cyanosilylation by a neutral penta-coordinate silicon compound","Chem. Commun.","2017","","","","","10.1039/C7CC03948D","","","0.71073","MoKα","","0.1731","0.0668","","","0.1147","0.1514","","","","","","1.009","","","","has coordinates","197182","2020-10-21","18:00:00",""
"7120225","15.764","0.002","6.7092","0.001","16.818","0.002","90","","90","","90","","1778.7","0.4","150","2","150","2","","","","","","","","6","P b c a","-P 2ac 2ab","61","","","","- C4 H6 Au Cu N2 S -","- C4 H6 Au Cu N2 S -","- C32 H48 Au8 Cu8 N16 S8 -","8","1","","Varju, Bryton R.; Ovens, Jeffrey S.; Leznoff, Daniel B.","Mixed Cu(i)/Au(i) coordination polymers as reversible turn-on vapoluminescent sensors for volatile thioethers.","Chemical communications (Cambridge, England)","2017","","","","","10.1039/c7cc03428h","","","0.71073","MoKα","","0.0411","0.0226","","","0.0405","0.046","","","","","","1.051","","","","has coordinates","211179","2020-10-21","18:00:00",""
"7120226","17.1568","0.0003","31.6078","0.0006","19.9304","0.0004","90","","96.761","0.001","90","","10732.9","0.4","173","2","173","2","","","","","","","synthesis as described","6","P 1 21/a 1","-P 2yab","14","","(3-oxo-1-phenylbutyl)triphenylphosphoniumtrifluoromethanesulfonate","","- C29 H26 F3 O4 P S -","- C29 H26 F3 O4 P S -","- C464 H416 F48 O64 P16 S16 -","16","4","","Morita, Kenta; Ohta, Reiya; Aoyama, Hiroshi; Yahata, Kenzo; Arisawa, Mitsuhiro; Fujioka, Hiromichi","Concise synthesis of oxacyclic compounds using highly discriminative two-way transformations of α,β-unsaturated esters in the presence of enones","Chem. Commun.","2017","","","","","10.1039/C7CC03287K","","x-ray","1.54178","CuKα","","0.0911","0.0672","","","0.2098","0.2349","","","","","","0.847","","","","has coordinates","203412","2020-10-21","18:00:00",""
"7120227","6.15832","0.00019","17.7083","0.0006","21.1704","0.0006","90","","90","","90","","2308.7","0.12","293.1","0.1","293.1","0.1","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C31 H25 N O3 -","- C31 H25 N O3 -","- C124 H100 N4 O12 -","4","1","","Li, Jun-Long; Fu, Lu; Wu, Jiao; Yang, Kai-Chuan; Li, Qing-Zhu; Gou, Xiaojun; Peng, Cheng; Han, Bo; Shen, Xu-Dong","Highly Enantioselective Synthesis of Fused Bicyclic Dihydropyranones via Low-loading N-Heterocyclic Carbene Organocatalysis","Chem. Commun.","2017","","","","","10.1039/C7CC02921G","","x-ray","1.54184","CuKα","","0.0497","0.0476","","","0.1249","0.1276","","","","","","1.023","","","","has coordinates","197541","2020-10-21","18:00:00",""
"7120228","9.9444","0.0003","11.1804","0.0003","23.4759","0.0009","91.103","0.003","90.102","0.003","93.933","0.003","2603.46","0.15","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","","","- C66 H58 Fe2 N4 O2 -","- C66 H58 Fe2 N4 O2 -","- C132 H116 Fe4 N8 O4 -","2","1","","scottwell, Synove O; Barnsley, Jonathan H.; McAdam, C. John; Gordon, Keith; Crowley, James D.","A Ferrocene Based Switchable Molecular Folding Ruler","Chem. Commun.","2017","","","","","10.1039/C7CC03358C","","","1.54184","CuKα","","0.0944","0.0748","","","0.2001","0.219","","","","","","1.047","","","","has coordinates","197588","2020-10-21","18:00:00",""
"7120229","36.1897","0.0008","14.6874","0.0002","34.7427","0.0008","90","","109.742","0.002","90","","17381.5","0.6","100","2","100","2","","","","","","","","5","C 1 2 1","C 2y","5","","","","- C136.11 H131.89 I12 N27.41 Zn6 -","- C136.11 H131.89 I12 N27.41 Zn6 -","- C544.44 H527.56 I48 N109.64 Zn24 -","4","1","","Abozeid, Mohamed A.; Sairenji, Shiho; Takizawa, Shinobu; Fujita, Makoto; Sasai, Hiroaki","Enantioselective synthesis of tetrahydrocyclopenta[b]indole bearing a chiral quaternary carbon center via Pd(II)-SPRIX-catalyzed C‒H activation","Chem. Commun.","2017","","","","","10.1039/C7CC03199H","","","1.54187","CuKα","","0.0865","0.0742","","","0.2049","0.2219","","","","","","1.047","","","","has coordinates,has disorder","197589","2020-10-21","18:00:00",""
"7120230","9.353","0.006","14.518","0.011","15.869","0.011","68.16","0.02","75.46","0.03","83.6","0.03","1936","2","296","2","296","2","","","","","","","","5","P -1","-P 1","2","","","","- C48 H35 Cl3 N2 O4 -","- C48 H35 Cl3 N2 O4 -","- C96 H70 Cl6 N4 O8 -","2","1","","Nagarajan, Kalaivanan; Gopan, Gopika; Cheriyan, Rijo T.; Hariharan, Mahesh","Long Alkyl Side-Chains Impede Exciton Interaction in Organic Light Harvesting Crystals","Chem. Commun.","2017","","","","","10.1039/C7CC02322G","","","0.71073","MoKα","","0.1922","0.0998","","","0.2632","0.3237","","","","","","1.018","","","","has coordinates","197590","2020-10-21","18:00:00",""
"7120231","9.1467","0.0005","14.6826","0.0009","15.2901","0.0009","70.998","0.002","77.37","0.002","84.344","0.002","1893.71","0.19","296","2","296","2","","","","","","","","4","P -1","-P 1","2","","","","- C50 H40 N2 O4 -","- C50 H40 N2 O4 -","- C100 H80 N4 O8 -","2","1","","Nagarajan, Kalaivanan; Gopan, Gopika; Cheriyan, Rijo T.; Hariharan, Mahesh","Long Alkyl Side-Chains Impede Exciton Interaction in Organic Light Harvesting Crystals","Chem. Commun.","2017","","","","","10.1039/C7CC02322G","","","0.71073","MoKα","","0.1191","0.0605","","","0.1709","0.2208","","","","","","1.044","","","","has coordinates","197590","2020-10-21","18:00:00",""
"7120232","9.1506","0.0008","13.8911","0.0011","19.6605","0.0016","84.331","0.004","87.822","0.004","78.265","0.004","2434.5","0.4","125","2","125","2","","","","","","","","4","P -1","-P 1","2","","","","- C62 H64 N2 O4 -","- C62 H64 N2 O4 -","- C124 H128 N4 O8 -","2","1","","Nagarajan, Kalaivanan; Gopan, Gopika; Cheriyan, Rijo T.; Hariharan, Mahesh","Long Alkyl Side-Chains Impede Exciton Interaction in Organic Light Harvesting Crystals","Chem. Commun.","2017","","","","","10.1039/C7CC02322G","","","0.71073","MoKα","","0.2223","0.1446","","","0.3531","0.4231","","","","","","1.056","","","","has coordinates","197590","2020-10-21","18:00:00",""
"7120233","9.168","0.0006","12.8426","0.0007","18.3287","0.001","84.994","0.003","88.536","0.003","79.486","0.003","2113.6","0.2","296","2","296","2","","","","","","","","4","P -1","-P 1","2","","","","- C54 H48 N2 O4 -","- C54 H48 N2 O4 -","- C108 H96 N4 O8 -","2","1","","Nagarajan, Kalaivanan; Gopan, Gopika; Cheriyan, Rijo T.; Hariharan, Mahesh","Long Alkyl Side-Chains Impede Exciton Interaction in Organic Light Harvesting Crystals","Chem. Commun.","2017","","","","","10.1039/C7CC02322G","","","0.71073","MoKα","","0.177","0.0679","","","0.198","0.2815","","","","","","1.007","","","","has coordinates","197590","2020-10-21","18:00:00",""
"7120234","12.7357","0.0002","12.8189","0.0002","14.2756","0.0002","68.213","0.002","84.184","0.001","73.825","0.001","2078.45","0.06","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","","","- C48 H44 Au2 O P2 -","- C48 H44 Au2 O P2 -","- C96 H88 Au4 O2 P4 -","2","1","","Gimeno, M. Concepcion; Blanco, M. Carmen; Laguna, Antonio; Naumov, Pance; CAMARA, JESSICA","An Stable gold(I)-enyne species obtained by alkyne carboauration in a complex rearrangement","Chem. Commun.","2017","","","","","10.1039/C7CC03713A","","","0.71073","MoKα","","0.0194","0.0174","","","0.0387","0.0394","","","","","","1.042","","","","has coordinates","197631","2020-10-21","18:00:00",""
"7120235","11.9864","0.0009","13.8514","0.0007","14.9652","0.0009","102.046","0.005","104.468","0.006","111.469","0.006","2111.1","0.3","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","","","- C90 H70 Au4 Cl4 P4 -","- C90 H68 Au4 Cl4 P4 -","- C90 H68 Au4 Cl4 P4 -","1","0.5","","Gimeno, M. Concepcion; Blanco, M. Carmen; Laguna, Antonio; Naumov, Pance; CAMARA, JESSICA","An Stable gold(I)-enyne species obtained by alkyne carboauration in a complex rearrangement","Chem. Commun.","2017","","","","","10.1039/C7CC03713A","","","0.71073","MoKα","","0.0516","0.0432","","","0.1113","0.1178","","","","","","1.041","","","","has coordinates","197631","2020-10-21","18:00:00",""
"7120236","12.0617","0.0012","14.2056","0.0011","17.7773","0.0012","90","","90","","90","","3046","0.4","298","2","298","2","","","","","","","","6","I 2 2 2","I 2 2","23","tppe-Cd","1","","- C46 H60 Cd Cl2 N4 O14 -","- C46 H32 Cd Cl2 N4 -","- C92 H64 Cd2 Cl4 N8 -","2","0.25","","Zhao, Si-Si; Chen, Li; Wang, Lei; Xie, Zhigang","Two tetraphenylethene-containing coordination polymers for reversible mechanochromism","Chem. Commun.","2017","","","","","10.1039/C7CC02139A","","","0.71073","MoKα","","0.044","0.0391","","","0.0807","0.0845","","","","","","1.032","","","","has coordinates","197632","2020-10-21","18:00:00",""
"7120237","19.1291","0.001","12.4363","0.0006","22.797","0.0015","90","","98.859","0.006","90","","5358.6","0.5","298","2","298","2","","","","","","","","6","P 1 2/n 1","-P 2yac","13","tppe-Cd","2","","- C46 H52 Cd Cl2 N4 O10 -","- C46 H32 Cd Cl2 N4 -","- C184 H128 Cd4 Cl8 N16 -","4","1","","Zhao, Si-Si; Chen, Li; Wang, Lei; Xie, Zhigang","Two tetraphenylethene-containing coordination polymers for reversible mechanochromism","Chem. Commun.","2017","","","","","10.1039/C7CC02139A","","","0.71073","MoKα","","0.2077","0.0766","","","0.1054","0.1242","","","","","","0.98","","","","has coordinates,has disorder","197632","2020-10-21","18:00:00",""
"7120238","8.54221","0.00016","4.66794","0.00009","23.7131","0.0004","90","","90","","90","","945.55","0.03","293","","293","","","","","","","","","3","P m n a","-P 2ac 2","53","bismuth gallate","bismuth subgallate","bismuth subgallate","- C7 Bi O8 -","- C7 Bi O8 -","- C28 Bi4 O32 -","4","0.5","","Wang, Yunchen; Takki, Sofia; Cheung, Ocean; Xu, Hong-Yi; Wan, Wei; Öhrström, Lars R.; Inge, Andrew Ken","Elucidation of the Elusive Structure and Formula of the Active Pharmaceutical Ingredient Bismuth Subgallate by Continuous Rotation Electron Diffraction","Chem. Commun.","2017","","","","","10.1039/C7CC03180G","powder diffraction","","1.5406","CuKα1","","","","","","","","","0.06256","1.748","","","","","","","has coordinates","197633","2020-10-21","18:00:00",""
"7120239","8.0112","0.0003","8.0734","0.0003","14.9981","0.0005","82.284","0.003","81.302","0.003","76.188","0.003","926.28","0.06","100","","100","","","","","","","","","6","P -1","-P 1","2","","","","- C38 H28 N10 Ni O10 S2 -","- C38 H28 N10 Ni O10 S2 -","- C38 H28 N10 Ni O10 S2 -","1","0.5","","Lomjansky, Lominik; Moncol, Jan; Rajnak, Cyril; Titis, Jan; Boca, Roman","Field effect to slow magnetic relaxation in a mononuclear Ni(II) complex","Chem. Commun.","2017","","","","","10.1039/C7CC03275G","","","1.54186","CuKα","","0.0351","0.0314","","","0.0883","0.0899","","","","","","1.034","","","","has coordinates,has disorder","197634","2020-10-21","18:00:00",""
"7120240","7.4547","0.0011","12.4866","0.0018","12.643","0.0018","90","","101.981","0.002","90","","1151.2","0.3","296","2","296","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","(5-chlorobenzo[d]oxazol-2-yl)(morpholino)methanone","","- C12 H11 Cl N2 O3 -","- C12 H11 Cl N2 O3 -","- C48 H44 Cl4 N8 O12 -","4","1","","Xing, Qi; Lv, Hui; Xia, Chungu; li, fuwei","Palladium-Catalyzed Intermolecular Carbonylative Cross-Coupling of Heteroaryl C(sp2)‒H Bonds with Amines: An Efficient Strategy for Oxidative Aminocarbonylation of Azoles","Chem. Commun.","2017","","","","","10.1039/C7CC03274A","","","0.71073","MoKα","","0.0478","0.0436","","","0.0978","0.1011","","","","","","1.004","","","","has coordinates","197635","2020-10-21","18:00:00",""
"7120241","25.2138","0.0007","21.9062","0.0007","26.2394","0.0007","90","","117.608","0.003","90","","12842.8","0.7","150","2","150","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C2 H58 Cu2 Na6 O67 W11 -","- C2 H3 Cu2 Na5.825 O66.7 W11 -","- C16 H24 Cu16 Na46.6 O533.6 W88 -","8","2","","Cronin, Lee; Zhan, Caihong; Busche, Christoph; Long, Deliang; Molina, Pedro I.; Winter, Ross S.","Encapsulation of a {Cu16} cluster containing four [Cu4O4] cubanes within an isopolyoxometalate {W44} cluster","Chem. Commun.","2017","","","","","10.1039/C7CC03544F","","","0.71073","MoKα","","0.0693","0.0438","","","0.0853","0.0965","","","","","","1.041","","","","has coordinates,has disorder","197667","2020-10-21","18:00:00",""
"7120242","21.8487","0.0008","40.9986","0.0016","27.4044","0.001","90","","90","","90","","24547.9","1.6","150","2","150","2","","","","","","","","6","P n n a","-P 2a 2bc","52","","","","- C8 H208 Cu16 Na16 O260 W44 -","- C8 H12 Cu16 Na10 O220.8 W44 -","- C32 H48 Cu64 Na40 O883.2 W176 -","4","0.5","","Cronin, Lee; Zhan, Caihong; Busche, Christoph; Long, Deliang; Molina, Pedro I.; Winter, Ross S.","Encapsulation of a {Cu16} cluster containing four [Cu4O4] cubanes within an isopolyoxometalate {W44} cluster","Chem. Commun.","2017","","","","","10.1039/C7CC03544F","","","0.71073","MoKα","","0.1079","0.0774","","","0.1646","0.184","","","","","","1.185","","","","has coordinates","197667","2020-10-21","18:00:00",""
"7120243","15.634","0.003","20.94","0.004","28.234","0.006","90","","90","","90","","9243","3","223","2","223","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C11.11 H14 N0.22 O0.44 Zr0.22 -","- C11.1111 H14 N0.222222 O0.444444 Zr0.222222 -","- C400 H504 N8 O16 Zr8 -","36","4.5","","Sun, Qiu; Xie, peipei; Yuan, Dan; Xia, Yuanzhi; Yao, Yingming","Regioselective addition of C(sp3)‒H bonds of alkyl pyridines to olefins catalysed by cationic zirconium complexes","Chem. Commun.","2017","","","","","10.1039/C7CC03263C","","","0.71073","MoKα","","0.0606","0.043","","","0.106","0.1122","","","","","","1.188","","","","has coordinates,has disorder","197668","2020-10-21","18:00:00",""
"7120244","8.455","0.003","11.938","0.005","20.565","0.008","90","","92.164","0.005","90","","2074.3","1.4","93","","93","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C48 H54 B2 F4 N6 -","- C48 H54 B2 F4 N6 -","- C96 H108 B4 F8 N12 -","2","0.5","","Tsuchiya, Mizuho; Sakamoto, Ryota; Shimada, Masaki; Yamanoi, Yoshinori; Hattori, Yohei; Sugimoto, Kunihisa; Nishibori, Eiji; Nishihara, Hiroshi","β-IminoBODIPY oligomers: Facilely accessible π-conjugated luminescent BODIPY arrays","Chem. Commun.","2017","","","","","10.1039/C7CC03279J","","","0.71075","MoKα","","0.0675","0.0515","","","0.116","0.1245","","","","","","1.085","","","","has coordinates","197669","2020-10-21","18:00:00",""
"7120245","11.604","0.003","12.326","0.003","16.967","0.004","89.795","0.01","70.935","0.008","73.944","0.008","2194.1","0.9","100","","100","","","","","","","","","6","P -1","-P 1","2","","","","- C48 H50 B2 F4 N6 O2 -","- C48 H48 B2 F4 N5.978 O2.022 -","- C96 H96 B4 F8 N11.956 O4.044 -","2","1","","Tsuchiya, Mizuho; Sakamoto, Ryota; Shimada, Masaki; Yamanoi, Yoshinori; Hattori, Yohei; Sugimoto, Kunihisa; Nishibori, Eiji; Nishihara, Hiroshi","β-IminoBODIPY oligomers: Facilely accessible π-conjugated luminescent BODIPY arrays","Chem. Commun.","2017","","","","","10.1039/C7CC03279J","","","0.354","Synchrotron","","","0.0901","","","","0.2973","","","","","","1.023","","","","has coordinates","197669","2020-10-21","18:00:00",""
"7120246","16.986","0.007","12.115","0.005","21.755","0.01","90","","92.081","0.007","90","","4474","3","113","","113","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C52 H54 B2 F4 N6 -","- C52 H54 B2 F4 N6 -","- C208 H216 B8 F16 N24 -","4","1","","Tsuchiya, Mizuho; Sakamoto, Ryota; Shimada, Masaki; Yamanoi, Yoshinori; Hattori, Yohei; Sugimoto, Kunihisa; Nishibori, Eiji; Nishihara, Hiroshi","β-IminoBODIPY oligomers: Facilely accessible π-conjugated luminescent BODIPY arrays","Chem. Commun.","2017","","","","","10.1039/C7CC03279J","","","0.7107","MoKα","","","0.0965","","","","0.2929","","","","","","0.993","","","","has coordinates","197669","2020-10-21","18:00:00",""
"7120247","17.216","0.007","8.43","0.003","15.356","0.006","90","","108.36","0.004","90","","2115.2","1.4","93","","93","","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C24 H25 B F2 N2 O2 -","- C24 H25 B F2 N2 O2 -","- C96 H100 B4 F8 N8 O8 -","4","1","","Tsuchiya, Mizuho; Sakamoto, Ryota; Shimada, Masaki; Yamanoi, Yoshinori; Hattori, Yohei; Sugimoto, Kunihisa; Nishibori, Eiji; Nishihara, Hiroshi","β-IminoBODIPY oligomers: Facilely accessible π-conjugated luminescent BODIPY arrays","Chem. Commun.","2017","","","","","10.1039/C7CC03279J","","","0.71075","MoKα","","0.0906","0.0732","","","0.1513","0.1641","","","","","","1.123","","","","has coordinates","197669","2020-10-21","18:00:00",""
"7120248","11.13","0.015","11.266","0.014","18.32","0.03","90","","95.019","0.014","90","","2288","6","113","","113","","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C48 H50 B2 F2 N6 O2 -","- C48 H50 B2 F4 N6 O2 -","- C96 H100 B4 F8 N12 O4 -","2","0.5","","Tsuchiya, Mizuho; Sakamoto, Ryota; Shimada, Masaki; Yamanoi, Yoshinori; Hattori, Yohei; Sugimoto, Kunihisa; Nishibori, Eiji; Nishihara, Hiroshi","β-IminoBODIPY oligomers: Facilely accessible π-conjugated luminescent BODIPY arrays","Chem. Commun.","2017","","","","","10.1039/C7CC03279J","","","0.7107","MoKα","","","0.1534","","","","0.4332","","","","","","1.267","","","","has coordinates","197669","2020-10-21","18:00:00",""
"7120249","7.799","0.002","13.378","0.004","19.206","0.005","90","","90","","90","","2003.9","0.9","113","","113","","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C22 H25 B F2 N2 -","- C22 H25 B F2 N2 -","- C88 H100 B4 F8 N8 -","4","1","","Tsuchiya, Mizuho; Sakamoto, Ryota; Shimada, Masaki; Yamanoi, Yoshinori; Hattori, Yohei; Sugimoto, Kunihisa; Nishibori, Eiji; Nishihara, Hiroshi","β-IminoBODIPY oligomers: Facilely accessible π-conjugated luminescent BODIPY arrays","Chem. Commun.","2017","","","","","10.1039/C7CC03279J","","","0.7107","MoKα","","","0.0331","","","","0.0918","","","","","","1.05","","","","has coordinates","197669","2020-10-21","18:00:00",""
"7120250","12.085","0.003","13.471","0.004","25.017","0.007","90","","90","","90","","4072.7","1.9","93","","93","","","","","","","","","6","P b c a","-P 2ac 2ab","61","","","","- C23 H25 B F2 N2 O -","- C23 H25 B F2 N2 O -","- C184 H200 B8 F16 N16 O8 -","8","1","","Tsuchiya, Mizuho; Sakamoto, Ryota; Shimada, Masaki; Yamanoi, Yoshinori; Hattori, Yohei; Sugimoto, Kunihisa; Nishibori, Eiji; Nishihara, Hiroshi","β-IminoBODIPY oligomers: Facilely accessible π-conjugated luminescent BODIPY arrays","Chem. Commun.","2017","","","","","10.1039/C7CC03279J","","","0.71075","MoKα","","0.0728","0.0607","","","0.1377","0.1451","","","","","","1.127","","","","has coordinates","197669","2020-10-21","18:00:00",""
"7120251","8.6146","0.0002","29.8779","0.0005","17.5654","0.0003","90","","99.466","0.002","90","","4459.53","0.15","150","2","150","2","","","","","","","","6","P 1 21 1","P 2yb","4","","[K(18-crown-6)][PH2C(O)NHCHCMeCOO]","","- C16 H31 K N O9 P -","- C16 H31 K N O9 P -","- C128 H248 K8 N8 O72 P8 -","8","4","","de Faria, Érica Neves; Jupp, Andrew; Goicoechea, Jose M.","Amino acid functionalisation using the 2-phosphaethynolate anion. A facile route to (phosphanyl)carbonyl-amino acids.","Chem. Commun.","2017","","","","","10.1039/C7CC01285C","","","1.54178","CuKα","","0.0469","0.0421","","","0.1104","0.1137","","","","","","1.017","","","","has coordinates","197670","2020-10-21","18:00:00",""
"7120252","10.634","0.002","13.31","0.003","24.836","0.006","75.38","0.011","87.42","0.011","67.005","0.013","3125.5","1.2","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","2-formyl-N-(5-(trifluoromethyl)pyridin-2-yl)quinoline-8-carboxamide","","- C17.75 H11.5 F3 N3 O2.25 -","- C17.75 H11.5 F3 N3 O2.25 -","- C142 H92 F24 N24 O18 -","8","4","","Fairhurst, Robin A.; Knoepfel, Thomas; Leblanc, Catherine; Buschmann, Nicole; Gaul, Christoph; Blank, Jutta; Galuba, Inga; Trappe, Jörg; Zou, Chao; Voshol, Johannes; Genick, Christine; Brunet-Lefeuvre, Peggy; Bitsch, Francis; Graus-Porta, Diana; Furet, Pascal","Approaches to selective fibroblast growth factor receptor 4 inhibition through targeting the ATP-pocket middle-hinge region","Med. Chem. Commun.","2017","","","","","10.1039/C7MD00213K","","","1.54178","CuKα","","0.0651","0.0551","","","0.1446","0.1547","","","","","","1.017","","","","has coordinates,has disorder","197678","2020-10-21","18:00:00",""
"7120253","7.9928","0.0007","10.3771","0.0009","12.8507","0.0011","90","","98.625","0.002","90","","1053.81","0.16","296","2","296","2","","","","","","","","7","P 1 21 1","P 2yb","4","","","","- C21 H20 Br Cl F3 N O3 -","- C21 H20 Br Cl F3 N O3 -","- C42 H40 Br2 Cl2 F6 N2 O6 -","2","1","","Zhang, Junliang; Xu, Bing; Zhang, Zhan-Ming; Liu, Bing; Xu, Shan; Zhou, Lu-Jia","Copper(I)-Catalyzed Asymmetric Exo-selective [3+2] Cycloaddition of Azomethine Ylides with β-Trifluoromethyl β, β-Disubstituted Enones","Chem. Commun.","2017","","","","","10.1039/C7CC03015K","","","0.71073","MoKα","","0.0308","0.0264","","","0.0662","0.0681","","","","","","1.041","","","","has coordinates","197724","2020-10-21","18:00:00",""
"7120254","18.4648","0.0012","10.5267","0.0007","22.6707","0.0015","90","","104.961","0.002","90","","4257.2","0.5","296","2","296","2","","","","","","","","7","P 1 21 1","P 2yb","4","","","","- C21 H16 Br Cl F3 N O4 -","- C21 H16 Br Cl F3 N O4 -","- C168 H128 Br8 Cl8 F24 N8 O32 -","8","4","","Zhang, Junliang; Xu, Bing; Zhang, Zhan-Ming; Liu, Bing; Xu, Shan; Zhou, Lu-Jia","Copper(I)-Catalyzed Asymmetric Exo-selective [3+2] Cycloaddition of Azomethine Ylides with β-Trifluoromethyl β, β-Disubstituted Enones","Chem. Commun.","2017","","","","","10.1039/C7CC03015K","","","0.71073","MoKα","","0.0977","0.0591","","","0.1188","0.1372","","","","","","1.032","","","","has coordinates","197724","2020-10-21","18:00:00",""
"7120255","3.8268","0.0002","31.4297","0.0012","17.1304","0.0007","90","","92.251","0.001","90","","2058.77","0.16","100","2","100","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C25 H27 N2 O5.25 -","- C24.84 H26.96 N2 O5.36 -","- C99.36 H107.84 N8 O21.44 -","4","1","","Liao, Jia-Yu; Yap, Wei Jie; Wu, Ji'En; Wong, Ming Wah; Zhao, Yu","Three-Component Reactions of Isocyanoacetates, Amines and 3-Formylchromones Initiated by An Unexpected Aza-Michael Addition","Chem. Commun.","2017","","","","","10.1039/C7CC03468G","","","1.54178","CuKα","","0.087","0.0819","","","0.2745","0.2815","","","","","","1.086","","","","has coordinates,has disorder","197725","2020-10-21","18:00:00",""
"7120256","5.6115","0.0015","6.0587","0.0012","10.068","0.002","90","","93.612","0.007","90","","341.62","0.13","293","2","293","2","","","","","","","","5","P 1 21/m 1","-P 2yb","11","TJU-1","[Cu4(OH)6][O3S(CH2)4SO3]","","- C2 H0 Cu2 O6 S -","- C2 Cu2 O6 S -","- C4 Cu4 O12 S2 -","2","0.5","","Yang, Huimin; Fei, Honghan","Exfoliation of a Two-Dimensional Cationic Inorganic Network as a New Paradigm for High-Capacity CrVI-Anion Capture","Chem. Commun.","2017","","","","","10.1039/C7CC04375A","","","0.71073","MoKα","","0.0317","0.0303","","","0.0891","0.0902","","","","","","1.096","","","","has coordinates,has disorder","197726","2020-10-21","18:00:00",""
"7120257","19.3682","0.0002","22.8418","0.0003","26.9735","0.0004","87.31","0.001","78.632","0.001","85.322","0.001","11654.3","0.3","123","2","123","2","","","","","","","","9","P -1","-P 1","2","","","","- C132 Cl8 Cr Lu2 Mn4 N7 O78 Si2 W18 -","- C132 Cl8 Cr Lu2 Mn4 N7 O78 Si2 W18 -","- C264 Cl16 Cr2 Lu4 Mn8 N14 O156 Si4 W36 -","2","1","","Minato, Takuo; Suzuki, Kosuke; Ohata, Yusuke; Yamaguchi, Kazuya; Mizuno, Noritaka","A modular synthesis approach to multinuclear heterometallic oxo clusters in polyoxometalates","Chem. Commun.","2017","","","","","10.1039/C7CC04072E","","","0.71069","MoKα","","0.1234","0.0787","","","0.2086","0.2579","","","","","","1.086","","","","has coordinates","197745","2020-10-21","18:00:00",""
"7120258","14.5907","0.0002","14.8029","0.0002","19.3294","0.0003","68.621","0.001","80.4","0.001","66.545","0.001","3565.21","0.1","123","2","123","2","","","","","","","","8","P -1","-P 1","2","","","","- C84 Ag2 Cr Mn4 N7 O70 Si2 W18 -","- C84 Ag2 Cr Mn4 N7 O70 Si2 W18 -","- C84 Ag2 Cr Mn4 N7 O70 Si2 W18 -","1","0.5","","Minato, Takuo; Suzuki, Kosuke; Ohata, Yusuke; Yamaguchi, Kazuya; Mizuno, Noritaka","A modular synthesis approach to multinuclear heterometallic oxo clusters in polyoxometalates","Chem. Commun.","2017","","","","","10.1039/C7CC04072E","","","0.71069","MoKα","","0.067","0.059","","","0.1766","0.1977","","","","","","1.137","","","","has coordinates","197745","2020-10-21","18:00:00",""
"7120259","17.4607","0.0003","18.5296","0.0006","19.3013","0.0003","61.295","0.001","63.252","0.001","82.415","0.001","4862.9","0.2","123","2","123","2","","","","","","","","9","P -1","-P 1","2","","","","- C116 Ag2 Cr Lu2 Mn4 N14 O78 Si2 W18 -","- C116 Ag2 Cr Lu2 Mn4 N14 O78 Si2 W18 -","- C116 Ag2 Cr Lu2 Mn4 N14 O78 Si2 W18 -","1","0.5","","Minato, Takuo; Suzuki, Kosuke; Ohata, Yusuke; Yamaguchi, Kazuya; Mizuno, Noritaka","A modular synthesis approach to multinuclear heterometallic oxo clusters in polyoxometalates","Chem. Commun.","2017","","","","","10.1039/C7CC04072E","","","0.71069","MoKα","","0.062","0.0506","","","0.1351","0.142","","","","","","1.033","","","","has coordinates","197745","2020-10-21","18:00:00",""
"7120260","14.3246","0.0001","20.0905","0.0002","34.176","0.0004","102.452","0.0006","96.5392","0.0006","93.5466","0.0004","9503.7","0.16","123","2","123","2","","","","","","","","8","P -1","-P 1","2","","","","- C120 Cl8 Cr Mn4 N7 O70 Si2 W18 -","- C120 Cl8 Cr Mn4 N7 O70 Si2 W18 -","- C240 Cl16 Cr2 Mn8 N14 O140 Si4 W36 -","2","1","","Minato, Takuo; Suzuki, Kosuke; Ohata, Yusuke; Yamaguchi, Kazuya; Mizuno, Noritaka","A modular synthesis approach to multinuclear heterometallic oxo clusters in polyoxometalates","Chem. Commun.","2017","","","","","10.1039/C7CC04072E","","","0.71069","MoKα","","0.073","0.0611","","","0.1749","0.1965","","","","","","1.091","","","","has coordinates,has disorder","197745","2020-10-21","18:00:00",""
"7120261","10.6138","0.0016","6.45","0.001","19.342","0.003","90","","102.117","0.004","90","","1294.6","0.3","293","2","293","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C18 H15 N O -","- C18 H15 N O -","- C72 H60 N4 O4 -","4","1","","Xia, Zilei; Hu, Jiadong; Gao, Yuqi; Yao, Qizheng; Xie, Weiqing","Facile Access to 2,2-Disubstituted Indolin-3-ones via Cascade Fischer Indolization/Claisen Rearrangement Reaction","Chem. Commun.","2017","","","","","10.1039/C7CC03754F","","","0.71073","MoKα","","0.0753","0.0528","","","0.1203","0.1318","","","","","","1.051","","","","has coordinates","197746","2020-10-21","18:00:00",""
"7120262","9.3863","0.0016","17.598","0.003","11.455","0.002","90","","106.32","0.004","90","","1815.9","0.5","113","2","113","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C25 H19 N O -","- C25 H19 N O -","- C100 H76 N4 O4 -","4","1","","Hu, Fangzhong; Yang, Xiaobing; Wang, Yang; Yang, Chi Ming; Zou, Xiaomao; Liu , Jiahui; Zhang, Qichun","Base-catalyzed cascade synthesis of 2,3-dihydrofuro- [2,3-b]pyridines and 2,3-dihydro-1H- pyrrolo[2,3-b]pyridines from N-propargylic β-enaminones","Chem. Commun.","2017","","","","","10.1039/C7CC03308G","","","0.71073","MoKα","","0.043","0.0367","","","0.1014","0.1049","","","","","","1.039","","","","has coordinates","197747","2020-10-21","18:00:00",""
"7120263","9.57475","0.00017","13.6182","0.0002","8.60542","0.00016","90","","98.882","0.0017","90","","1108.61","0.03","150","0.1","150","0.1","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C11 H9 F4 N O2 -","- C11 H9 F4 N O2 -","- C44 H36 F16 N4 O8 -","4","1","","Jiang, Huanfeng; Huang, Wei; Yu, Yue; Yi, Songjian; Li, Jiawei; Wu, Wanqing","Transition-Metal-Free Synthesis of β-Trifluoromethylated Enamines with Trifluoromethanesulfinate","Chem. Commun.","2017","","","","","10.1039/C7CC03125D","","x-ray","1.54184","CuKα","","0.0404","0.0377","","","0.1036","0.1065","","","","","","1.061","","","","has coordinates","197748","2020-10-21","18:00:00",""
"7120264","12.0867","0.0019","14.713","0.003","27.639","0.005","90.302","0.007","97.601","0.007","99.45","0.008","4804","1.5","150","2","150","2","","","","","","","","6","P -1","-P 1","2","","","","- C48 H8 B Cl2 F34 P -","- C48 H8 B Cl2 F34 P -","- C192 H32 B4 Cl8 F136 P4 -","4","2","","Mallov, Ian; Johnstone, Tim; Burns, Darcy; Stephan, Douglas W.","A Model for C-F Activation by Electrophilic Phosphonium Cations","Chem. Commun.","2017","","","","","10.1039/C7CC04057A","","","0.71073","MoKα","","0.2063","0.0976","","","0.2537","0.3236","","","","","","1.036","","","","has coordinates,has disorder","197749","2020-10-21","18:00:00",""
"7120265","10.2191","0.0003","8.2286","0.0003","28.0195","0.001","90","","94.45","0.003","90","","2349.03","0.14","223","2","223","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","BS-Pt","","- C28 H22 Cl N3 Pt -","- C28 H22 Cl N3 Pt -","- C112 H88 Cl4 N12 Pt4 -","4","1","","Zhao, Jiang; Liu, Boao; Feng, Zhao; Dang, Feifan; Yang, Xiaolong; Zhou, Guijiang; Yong, Wu; Wu, Zhaoxin; Wong, Wai-Yeung (Raymond)","Highly efficient electroluminescent Pt(II) ppy-type complexes with monodentate ligands","Chem. Commun.","2017","","","","","10.1039/C7CC03251J","","","1.54184","CuKα","","0.0507","0.0326","","","0.069","0.0773","","","","","","0.987","","","","has coordinates","197750","2020-10-21","18:00:00",""
"7120266","27.179","0.003","6.7881","0.0007","20.759","0.002","90","","127.703","0.002","90","","3030.2","0.5","293","2","293","2","","","","","","","","3","C 1 2/c 1","-C 2yc","15","","","","- C20 H18 O3 -","- C20 H18 O3 -","- C160 H144 O24 -","8","1","","You, Shuli; Xu, Ren-Qi; Yang, Ping","Pd(0)-Catalyzed Intramolecular Arylative Dearomatization of β-Naphthols","Chem. Commun.","2017","","","","","10.1039/C7CC04022A","","","0.71073","MoKα","","0.0482","0.0414","","","0.1083","0.1145","","","","","","1.042","","","","has coordinates","197783","2020-10-21","18:00:00",""
"7120267","10.346","0.002","5.3225","0.0011","14.977","0.003","90","","101.245","0.003","90","","808.9","0.3","205","","205","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C3 H2 Ag N5 O6 -","- C3 H2 Ag N5 O6 -","- C12 H8 Ag4 N20 O24 -","4","1","","Shen, Cheng; liu, yang; Zhu, Zhongqin; Xu, Yuangang; Lu, Ming","Self-assembly of silver(I)-based high-energy metal-organic frameworks (HE-MOFs) at ambient temperature and pressure: synthesis, structure and superior explosive performance","Chem. Commun.","2017","","","","","10.1039/C7CC03869K","","","0.71073","MoKα","","0.031","0.027","","","0.0791","0.0823","","","","","","1.144","","","","has coordinates,has disorder","197784","2020-10-21","18:00:00",""
"7120268","10.1571","0.0008","4.9006","0.0004","14.4249","0.0011","90","","103.473","0.002","90","","698.25","0.1","173","","173","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C3 Ag N5 O5 -","- C3 Ag N5 O5 -","- C12 Ag4 N20 O20 -","4","1","","Shen, Cheng; liu, yang; Zhu, Zhongqin; Xu, Yuangang; Lu, Ming","Self-assembly of silver(I)-based high-energy metal-organic frameworks (HE-MOFs) at ambient temperature and pressure: synthesis, structure and superior explosive performance","Chem. Commun.","2017","","","","","10.1039/C7CC03869K","","","0.71073","MoKα","","0.0297","0.0251","","","0.0594","0.0623","","","","","","1.034","","","","has coordinates","197784","2020-10-21","18:00:00",""
"7120269","8.1001","0.0005","6.5764","0.0003","29.8228","0.0017","90","","96.427","0.005","90","","1578.66","0.15","293","2","293","2","","","","","","","","5","C 1 2 1","C 2y","5","","","","- C17 H17 N O3 S -","- C17 H17 N O3 S -","- C68 H68 N4 O12 S4 -","4","1","","Hong, San-Ni; Liu, Yang; Lee, Richmond; Jiang, Zhiyong","Asymmetric tandem conjugate addition−protonation to forge chiral secondary C−O bond for quaternary carbon stereocenters at the nonadjacent β-position","Chem. Commun.","2017","","","","","10.1039/C7CC03700G","","x-ray","1.54184","CuKα","","0.0761","0.0623","","","0.1611","0.1722","","","","","","1.051","","","","has coordinates,has disorder","197785","2020-10-21","18:00:00",""
"7120270","12.4756","0.0005","11.9717","0.0006","17.9467","0.0007","90","","105.597","0.004","90","","2581.7","0.2","291","2","291.15","","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C29 H26 N2 O6 -","- C29 H26 N2 O6 -","- C116 H104 N8 O24 -","4","2","","Hong, San-Ni; Liu, Yang; Lee, Richmond; Jiang, Zhiyong","Asymmetric tandem conjugate addition−protonation to forge chiral secondary C−O bond for quaternary carbon stereocenters at the nonadjacent β-position","Chem. Commun.","2017","","","","","10.1039/C7CC03700G","","","1.54184","CuKα","","0.0484","0.0411","","","0.0987","0.1043","","","","","","1.054","","","","has coordinates","197785","2020-10-21","18:00:00",""
"7120271","31.0197","0.0011","31.0197","0.0011","31.0197","0.0011","90","","90","","90","","29847.8","1.8","100","2","100","","","","","","","","","5","I 4 3 2","I 4 2 3","211","","","","- C48 H81 N O39 Rb2 -","- C48 H81 N O39 Rb2 -","- C576 H972 N12 O468 Rb24 -","12","0.25","","Hartlieb, Karel J.; Peters, Aaron William; Wang, Timothy C.; Deria, Pravas; Farha, Omar; Hupp, J. T.; Stoddart, J. Fraser","Functionalised cyclodextrin-based metal-organic frameworks","Chem. Commun.","2017","","","","","10.1039/C7CC03345A","","","1.54178","CuKα","","0.0637","0.0586","","","0.1967","0.204","","","","","","1.082","","","","has coordinates,has disorder","197786","2020-10-21","18:00:00",""
"7120272","11.9905","0.0008","16.4042","0.0011","37.7","0.003","90","","90","","90","","7415.4","0.9","100","2","99.91","","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C56 H87 N O43 -","- C56 H87 N O43 -","- C224 H348 N4 O172 -","4","1","","Hartlieb, Karel J.; Peters, Aaron William; Wang, Timothy C.; Deria, Pravas; Farha, Omar; Hupp, J. T.; Stoddart, J. Fraser","Functionalised cyclodextrin-based metal-organic frameworks","Chem. Commun.","2017","","","","","10.1039/C7CC03345A","","","1.54178","CuKα","","0.0898","0.082","","","0.2317","0.2397","","","","","","1.057","","","","has coordinates","197786","2020-10-21","18:00:00",""
"7120273","13.8659","0.0004","9.3188","0.0003","14.7114","0.0005","90","","99.781","0.003","90","","1873.28","0.1","100","0.1","100","0.1","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C24 H22 N2 O2 -","- C24 H22 N2 O2 -","- C96 H88 N8 O8 -","4","1","","Xu, Xiaobing; Liu, Jianchao; Lu, Lin; Wang, Furong; Yin, BiaoLin","Palladium-catalyzed Regioselective Intramolecular Direct Arylation of N-(o-Bromophenyl)-3-Indolecarboxamides: Access to Spiro-Indoline-3,3´-Oxindoles and 5,11-Dihydro-6H-indolo[3,2-c]quinolin-6-ones","Chem. Commun.","2017","","","","","10.1039/C7CC02256E","","x-ray","1.54184","CuKα","","0.0461","0.0428","","","0.1083","0.1104","","","","","","1.064","","","","has coordinates","197830","2020-10-21","18:00:00",""
"7120274","10.127","0.002","15.938","0.003","6.9785","0.0014","90","","90","","90","","1126.4","0.4","293","2","293","2","","","","","","","","6","P m c n","-P 2n 2a","62","","","","- C4 H12 Br3 Cd O P -","- C4 H11 Br3 Cd O P -","- C16 H44 Br12 Cd4 O4 P4 -","4","0.5","","Zheng, Xuan; Zhou, Lin; Shi, Ping-Ping; Geng, Fu-Juan; Fu, Da-Wei; Ye, Qiong","[(CH3)3PCH2OH][CdBr3] Is a Perovskite-type Ferroelastic Compound Above Room Temperature","Chem. Commun.","2017","","","","","10.1039/C7CC01771E","","","0.71073","MoKα","","0.0676","0.0569","","","0.1824","0.1901","","","","","","1.119","","","","has coordinates","197831","2020-10-21","18:00:00",""
"7120275","9.839","0.003","9.839","0.003","6.934","0.004","90","","90","","120","","581.3","0.4","359","2","359","2","","","","","","","","5","P 63/m m c","-P 6c 2c","194","","","","- C4 Br3 Cd O P -","- C4 Br3 Cd O0.99 P -","- C8 Br6 Cd2 O1.98 P2 -","2","0.0833333","","Zheng, Xuan; Zhou, Lin; Shi, Ping-Ping; Geng, Fu-Juan; Fu, Da-Wei; Ye, Qiong","[(CH3)3PCH2OH][CdBr3] Is a Perovskite-type Ferroelastic Compound Above Room Temperature","Chem. Commun.","2017","","","","","10.1039/C7CC01771E","","","0.71073","MoKα","","0.1324","0.1247","","","0.3093","0.3142","","","","","","1.1798","","","","has coordinates","197831","2020-10-21","18:00:00",""
"7120276","10.5093","0.0003","13.2957","0.0004","17.9828","0.0012","105.992","0.007","97.837","0.007","111.22","0.008","2172.2","0.3","293","","293","","","","","","","","","4","P -1","-P 1","2","","","","- C20 H22 N4 O8 -","- C20 H22 N4 O8 -","- C80 H88 N16 O32 -","4","2","","Wu, Zhiyong; Lebœuf, David; Retailleau, Pascal; Gandon, Vincent; Marinetti, Angela; Voituriez, Arnaud","Enantioselective gold(i)-catalyzed rearrangement of cyclopropyl-substituted 1,6-enynes into 2-oxocyclobutyl-cyclopentanes","Chem. Commun.","2017","","","","","10.1039/C7CC03234J","","","1.54187","CuKα","","0.0946","0.0676","","","0.1812","0.2033","","","","","","1.065","","","","has coordinates,has disorder","197832","2020-10-21","18:00:00",""
"7120277","16.3458","0.0013","16.7974","0.0013","13.2752","0.001","90","","90","","90","","3644.9","0.5","296","2","296.15","","","","","","","","","4","P 21 21 2","P 2 2ab","18","","","","- C42 H44 N4 O4 -","- C42 H44 N4 O4 -","- C168 H176 N16 O16 -","4","1","","DAS, SUJOY; Sarkar, Himadri Sekhar Sekhar; Uddin, Md. Raihan; Rissanen, Kari; Mandal, Sukhendu; Sahoo, Prithidipa","Differential detection and quantification of cyclic AMP and other adenosine phosphates in live cell","Chem. Commun.","2017","","","","","10.1039/C7CC02935G","","","0.71073","MoKα","","0.0794","0.0519","","","0.1271","0.155","","","","","","1.204","","","","has coordinates","197833","2020-10-21","18:00:00",""
"7120278","11.1914","0.0014","11.5224","0.0014","20.297","0.002","74.5693","0.0019","77.5731","0.0019","73.379","0.002","2390","0.5","100","2","100","2","","","","","","","","4","P -1","-P 1","2","","catena(bis(2,5,8,11,14-Pentaoxapentadecane-caesium)- diindeno[1,2,3-fg:1',2',3'-op]tetracene)","","- C50 H56 Cs2 O10 -","- C50 H56 Cs2 O10 -","- C100 H112 Cs4 O20 -","2","1","","Wombacher, T.; Goddard, R.; Lehmann, C. W.; Schneider, J. J.","Organometallic rubidium and cesium compounds of the 5,6;11,12-di-o-phenylene-tetracene dianion","Chem. Commun.","2017","","","","","10.1039/C7CC02320K","","","0.71073","Mo-Kα","","0.0634","0.0431","","","0.0984","0.1101","","","","","","1.072","","","","has coordinates","197834","2020-10-21","18:00:00",""
"7120279","10.9805","0.0018","12.636","0.002","22.734","0.004","98.144","0.003","97.696","0.003","109.057","0.003","2896.2","0.8","100","2","100","2","","","","","","","","4","P -1","-P 1","2","","Bis(cyclo-1,4,7,10,13,16-hexaoxy-octakiadecane-rubidium)- diindeno[1,2,3-fg:1',2',3'-op]tetracene tetrahydrofuran solute","","- C62 H80 O14 Rb2 -","- C62 H80 O14 Rb2 -","- C124 H160 O28 Rb4 -","2","1","","Wombacher, T.; Goddard, R.; Lehmann, C. W.; Schneider, J. J.","Organometallic rubidium and cesium compounds of the 5,6;11,12-di-o-phenylene-tetracene dianion","Chem. Commun.","2017","","","","","10.1039/C7CC02320K","","","0.71073","Mo-Kα","","0.1123","0.0494","","","0.1132","0.1427","","","","","","0.854","","","","has coordinates","197834","2020-10-21","18:00:00",""
"7120280","28.4436","0.0006","28.4436","0.0006","14.9962","0.0009","90","","90","","90","","12132.5","0.8","293","","293","","","","","","","","","5","I 41/a m d :2","-I 4bd 2","141","MIL-173","Zr2(PorphGal)","","- C54 H62.4 N9 O16.7 Zr2 -","- C54.0004 H16 N9 O16.698 Zr2 -","- C432.003 H128 N72 O133.584 Zr16 -","8","0.25","","Mouchaham, Georges; Abeykoon, Brain; Giménez-Marqués, Mónica; Navalon, Sergio; Santiago-Portillo, Andrea; affram, maame; Guillou, Nathalie; Martineau, Charlotte; Garcia, Hermenegildo; Fateeva, Alexandra; Devic, Thomas","Adaptability of the metal(III,IV) 1,2,3-trioxobenzene rod Second-ary Building Unit for the production of chemically stable and catalyt-ically active Metal-Organic Frameworks","Chem. Commun.","2017","","","","","10.1039/C7CC04215A","powder diffraction","","1.5406","CuKa1","","","","","","","","","0.034","10.4","","","","","","","has coordinates","197866","2020-10-21","18:00:00",""
"7120281","20.604","0.0006","20.604","0.0006","8.511","0.0006","90","","90","","90","","3613.1","0.3","293","2","293","2","","","","","","","","5","I 4/m m m","-I 4 2","139","La2(H6PorphGal)","MIL-173(La)","","- C22 H12 La N2 O6 -","- C22 H12 La N2 O6 -","- C88 H48 La4 N8 O24 -","4","0.125","","Mouchaham, Georges; Abeykoon, Brain; Giménez-Marqués, Mónica; Navalon, Sergio; Santiago-Portillo, Andrea; affram, maame; Guillou, Nathalie; Martineau, Charlotte; Garcia, Hermenegildo; Fateeva, Alexandra; Devic, Thomas","Adaptability of the metal(III,IV) 1,2,3-trioxobenzene rod Second-ary Building Unit for the production of chemically stable and catalyt-ically active Metal-Organic Frameworks","Chem. Commun.","2017","","","","","10.1039/C7CC04215A","","","0.71073","MoKα","","0.0427","0.0371","","","0.0983","0.1004","","","","","","1.121","","","","has coordinates","197866","2020-10-21","18:00:00",""
"7120282","11.2302","0.0002","11.2302","0.0002","76.8595","0.0016","90","","90","","120","","8394.7","0.3","296","2","296","2","","","","","","","","7","P 31 2 1","P 31 2""","152","","","","- C30 H18 Br Cl F3 N O7 -","- C30 H18 Br Cl F3 N O7 -","- C360 H216 Br12 Cl12 F36 N12 O84 -","12","2","","Yang, Shu-Mei; Ganapuram, Madhusudhan Reddy; Wang, Tzu-Ping; Yeh, Yu-Sheng; Wang, Min; Lin, Wenwei","An Enantioselective Cascade for Simultaneous Generation of Five Quaternary Stereocenters from Fully Substituted Enones","Chem. Commun.","2017","","","","","10.1039/C7CC03995F","","","1.54178","CuKα","","0.0413","0.0411","","","0.1065","0.1066","","","","","","1.081","","","","has coordinates,has disorder","197867","2020-10-21","18:00:00",""
"7120283","9.7847","0.0011","13.1195","0.0016","13.927","0.0015","113.199","0.008","98.631","0.009","105.657","0.009","1514.4","0.3","200","2","200","2","","","","","","","","6","P -1","-P 1","2","","","","- C32 H24 Br2 F3 N O8 -","- C32 H24 Br2 F3 N O8 -","- C64 H48 Br4 F6 N2 O16 -","2","1","","Yang, Shu-Mei; Ganapuram, Madhusudhan Reddy; Wang, Tzu-Ping; Yeh, Yu-Sheng; Wang, Min; Lin, Wenwei","An Enantioselective Cascade for Simultaneous Generation of Five Quaternary Stereocenters from Fully Substituted Enones","Chem. Commun.","2017","","","","","10.1039/C7CC03995F","","","0.71073","MoKα","","0.2017","0.0633","","","0.1449","0.2121","","","","","","0.842","","","","has coordinates","197867","2020-10-21","18:00:00",""
"7120284","14.7","0.003","15.38","0.003","17.71","0.004","81.08","0.03","74.46","0.03","86.41","0.03","3810","1.5","100","2","100","2","","","","","","","","6","P -1","-P 1","2",";Dy2ScN@Ih(7)-C80/Ni(OEP)/2(C6H6);","","","- C128 H56 Dy2 N5 Ni Sc -","- C128 H56 Dy2 N5 Ni Sc -","- C256 H112 Dy4 N10 Ni2 Sc2 -","2","1","","Krylov, Denis; Liu, Fupin; Avdoshenko, Stanislav; Spree, Lukas; Weise, Bruno; Waske, Anja; Wolter, A.; Buechner, Bernd; Popov, Alexey A.","Record-high thermal barrier of the relaxation of magnetization in the nitride clusterfullerene Dy2ScN@C80-Ih","Chem. Commun.","2017","","","","","10.1039/C7CC03580B","","","0.896","synchrotron","","0.0992","0.0923","","","0.2369","0.2458","","","","","","1.062","","","","has coordinates,has disorder","197893","2020-10-21","18:00:00",""
"7120285","19.1558","0.0019","12.265","0.0012","19.162","0.0019","90","","110.651","0.0011","90","","4212.8","0.7","88","2","88","2","","","","","","","","7","C 1 2/c 1","-C 2yc","15","","Ni(tmepe)2(BF4)2","","- C28 H64 B2 F8 Ni O8 P4 -","- C28 H64 B2 F8 Ni O8 P4 -","- C112 H256 B8 F32 Ni4 O32 P16 -","4","0.5","","Ceballos, Bianca M.; Tsay, Charlene; Yang, Jenny Y.","CO2 reduction or HCO2− oxidation? Solvent-dependent thermochemistry of a nickel hydride complex","Chem. Commun.","2017","","","","","10.1039/C7CC02511D","","","0.71073","MoKα","","0.0525","0.0466","","","0.1366","0.1426","","","","","","1.055","","","","has coordinates,has disorder","197894","2020-10-21","18:00:00",""
"7120286","12.5308","0.0003","7.8842","0.0002","12.7592","0.0003","90","","98.906","0.002","90","","1245.35","0.05","100","0.3","100","0.3","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C31 H33 N3 O -","- C31 H33 N3 O -","- C62 H66 N6 O2 -","2","1","","Lin, Shao-Xia; Sun, Gui-Jun; Kang, Qiang","Visible-Light-Activated Rhodium Complex in Enantioselective Conjugate Addition of α-Amino Radicals with Michael Acceptors","Chem. Commun.","2017","","","","","10.1039/C7CC03650G","","","1.54184","CuKα","","0.0347","0.0329","","","0.0852","0.0868","","","","","","1.065","","","","has coordinates","197895","2020-10-21","18:00:00",""
"7120287","9.8219","0.0011","16.4158","0.0018","18.583","0.002","90","","90","","90","","2996.2","0.6","296","2","296","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C15 H17 N O5 -","- C15 H17 N O5 -","- C120 H136 N8 O40 -","8","1","","Guan, Yuqing; Gao, Min; Deng, Xu; lv, hui; Zhang, Xumu","Rhodium-catalyzed Asymmetric Hydrogenation of Tetrasubstituted β-acetoxy-α-enamido Esters and Efficient Synthesis of Droxidopa","Chem. Commun.","2017","","","","","10.1039/C7CC03902F","","","0.71073","MoKα","","0.0499","0.0366","","","0.0914","0.1014","","","","","","1.057","","","","has coordinates","197896","2020-10-21","18:00:00",""
"7120288","10.353","0.005","19.678","0.005","29.79","0.005","90","0.005","90","0.005","90","0.005","6069","3","293","2","293","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C37.5 H37.5 Na7.5 O37.5 -","- C42 H55 Na2 O37.5 -","- C168 H220 Na8 O150 -","4","1","","Lan, Ya-Qian; Liu, Jiang; Bao, Tian-Yi; Yang, Xi-Ya; Zhu, Pei-Pei; Wu, Lianhe; Sha, JingQuan; Zhang, Lei; Dong, Long-Zhang; Cao, Xue-Li","Controllable Porosity Conversion of Metal-Organic Frameworks Composed of Natural Ingredients for Drug Delivery","Chem. Commun.","2017","","","","","10.1039/C7CC03673F","","","0.71069","MoKα","","0.1153","0.0961","","","0.2667","0.287","","","","","","1.061","","","","has coordinates","197945","2020-10-21","18:00:00",""
"7120289","21.981","0.005","25.367","0.005","15.79","0.005","90","0.005","133.554","0.005","90","0.005","6381","3","293","2","293","2","","","","","","","","4","C 1 2 1","C 2y","5","","","","- C84 H140 Cs2 O70 -","- C84 H98 Cs2 O73 -","- C168 H196 Cs4 O146 -","2","0.5","","Lan, Ya-Qian; Liu, Jiang; Bao, Tian-Yi; Yang, Xi-Ya; Zhu, Pei-Pei; Wu, Lianhe; Sha, JingQuan; Zhang, Lei; Dong, Long-Zhang; Cao, Xue-Li","Controllable Porosity Conversion of Metal-Organic Frameworks Composed of Natural Ingredients for Drug Delivery","Chem. Commun.","2017","","","","","10.1039/C7CC03673F","","","0.71069","MoKα","","0.1103","0.103","","","0.2987","0.3089","","","","","","1.351","","","","has coordinates","197945","2020-10-21","18:00:00",""
"7120290","5.48472","0.00015","44.0584","0.0014","7.7312","0.0003","90","","92.467","0.002","90","","1866.5","0.11","213","","213","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","BSPEB/benzylamine","","- C18 H16 N O3 S -","- C18 H16 N O3 S -","- C72 H64 N4 O12 S4 -","4","1","","Sozzani, Piero; Comotti, Angiolina; Bracco, Silvia; Bassanetti, Irene; Miyano, Tetsuya; Negroni, Mattia; Marchiò, Luciano; Tohnai, Norimitsu","CO2 regulates molecular rotor dynamics in porous materials","Chem. Commun.","2017","","","","","10.1039/C7CC02983G","","","1.54187","CuKα","","0.0913","0.0819","","","0.224","0.2291","","","","","","1.168","","","","has coordinates","197946","2020-10-21","18:00:00",""
"7120291","12.4267","0.0001","12.4267","0.0001","27.1577","0.0003","90","","90","","90","","4193.77","0.07","100","2","100","2","","","","","","","","5","P -4 21 c","P -4 2n","114","","","","- C52 H32 N20 O17 Zn6 -","- C52 H32 N20 O17 Zn6 -","- C104 H64 N40 O34 Zn12 -","2","0.25","","Cai, Hong; Xu, Lili; Lai, Heyun; Liu, Jing-Yi; Ng, Seik Weng; Li, Dan","A highly emissive and stable Zinc(II) metal-organic framework as a host-guest chemopalette for approaching white-light-emission","Chem. Commun.","2017","","","","","10.1039/C7CC03350H","","","1.54184","CuKα","","0.1018","0.0999","","","0.3191","0.3269","","","","","","1.64","","","","has coordinates,has disorder","197947","2020-10-21","18:00:00",""
"7120292","9.1839","0.0007","9.3861","0.0007","9.7709","0.0008","73.615","0.003","86.252","0.003","69.954","0.003","758.64","0.1","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","1-butylimidazolium pentaborate","","- C7 H17 B5 N2 O10 -","- C7 H17 B5 N2 O10 -","- C14 H34 B10 N4 O20 -","2","1","","Rachiero, Giovanni P.; Titi, Hatem M.; Rogers, Robin D.","Versatility and Remarkable Hypergolicity of Exo-6, Exo-9 Imidazole-Substituted Nido-Decaborane","Chem. Commun.","2017","","","","","10.1039/C7CC03322B","","","0.71073","MoKα","","0.0879","0.0628","","","0.1674","0.1846","","","","","","1.01","","","","has coordinates","197948","2020-10-21","18:00:00",""
"7120293","10.4108","0.0007","8.2731","0.0006","12.8841","0.0008","90","","92.532","0.002","90","","1108.62","0.13","100","2","100","2","","","","","","","","4","P 1 n 1","P -2yac","7","","exo-6,exo-9 bis(1-butylimidazole) nido-decaborane","","- C14 H36 B10 N4 -","- C14 H36 B10 N4 -","- C28 H72 B20 N8 -","2","1","","Rachiero, Giovanni P.; Titi, Hatem M.; Rogers, Robin D.","Versatility and Remarkable Hypergolicity of Exo-6, Exo-9 Imidazole-Substituted Nido-Decaborane","Chem. Commun.","2017","","","","","10.1039/C7CC03322B","","","0.71073","MoKα","","0.0366","0.0337","","","0.083","0.0844","","","","","","1.032","","","","has coordinates","197948","2020-10-21","18:00:00",""
"7120294","10.0069","0.0008","13.2066","0.001","14.6031","0.0012","90","","90","","90","","1929.9","0.3","100","2","100","2","","","","","","","","4","P b c n","-P 2n 2ab","60","","exo-6,exo-9 bis(1-ethylimidazole) nido-decaboran","","- C10 H28 B10 N4 -","- C10 H28 B10 N4 -","- C40 H112 B40 N16 -","4","0.5","","Rachiero, Giovanni P.; Titi, Hatem M.; Rogers, Robin D.","Versatility and Remarkable Hypergolicity of Exo-6, Exo-9 Imidazole-Substituted Nido-Decaborane","Chem. Commun.","2017","","","","","10.1039/C7CC03322B","","","0.71073","MoKα","","0.0529","0.0439","","","0.1204","0.1272","","","","","","1.05","","","","has coordinates","197948","2020-10-21","18:00:00",""
"7120295","7.4298","0.0006","13.7626","0.0014","16.0828","0.0017","90","","100.902","0.003","90","","1614.8","0.3","100","2","100","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","exo-6,exo-9 bis(1-methylimidazole) nido-decaborane","","- C8 H24 B10 N4 -","- C8 H24 B10 N4 -","- C32 H96 B40 N16 -","4","1","","Rachiero, Giovanni P.; Titi, Hatem M.; Rogers, Robin D.","Versatility and Remarkable Hypergolicity of Exo-6, Exo-9 Imidazole-Substituted Nido-Decaborane","Chem. Commun.","2017","","","","","10.1039/C7CC03322B","","","0.71073","MoKα","","0.0979","0.0861","","","0.2172","0.2226","","","","","","1.167","","","","has coordinates","197948","2020-10-21","18:00:00",""
"7120296","7.2587","0.0012","13.5938","0.0019","14.524","0.002","90","","96.947","0.006","90","","1422.6","0.4","100","2","100","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","exo-6,exo-9 bis(imidazole) nido-decaborane","","- C6 H20 B10 N4 -","- C6 H20 B10 N4 -","- C24 H80 B40 N16 -","4","1","","Rachiero, Giovanni P.; Titi, Hatem M.; Rogers, Robin D.","Versatility and Remarkable Hypergolicity of Exo-6, Exo-9 Imidazole-Substituted Nido-Decaborane","Chem. Commun.","2017","","","","","10.1039/C7CC03322B","","","0.71073","MoKα","","0.1346","0.0659","","","0.1295","0.1524","","","","","","1.003","","","","has coordinates","197948","2020-10-21","18:00:00",""
"7120297","17.0435","0.0003","37.6295","0.0006","18.3435","0.0004","90","","89.9978","0.0015","90","","11764.4","0.4","173","0.14","173","2","","","","","","","","8","P 1 21/n 1","-P 2yn","14","","[Fe(dmpe)2N2(SiMe3)][BArF4]","","- C47 H53 B F24 Fe N2 P4 Si -","- C47 H53 B F24 Fe N2 P4 Si -","- C376 H424 B8 F192 Fe8 N16 P32 Si8 -","8","2","","Piascik, Adam D.; Hill, Peter J.; Crawford, Andrew D.; Doyle, Laurence R.; Green, Jennifer; Ashley, Andrew Edward","Cationic silyldiazenido complexes of the Fe(diphosphine)2(N2) platform: structural and electronic models for an elusive first intermediate in N2 fixation","Chem. Commun.","2017","","","","","10.1039/C7CC04188H","","","0.71073","MoKα","","0.1067","0.0779","","","0.2048","0.2281","","","","","","1.012","","","","has coordinates,has disorder","197949","2020-10-21","18:00:00",""
"7120298","12.9303","0.0004","19.1287","0.0006","26.3957","0.0012","90","","90","","90","","6528.7","0.4","173","2","173.05","0.1","","","","","","","","8","P 21 21 21","P 2ac 2ab","19","","[Fe(depe)2N2(SiMe3)][BArF4]","","- C55 H69 B F24 Fe N2 P4 Si -","- C55 H69 B F23.805 Fe N2 P4 Si -","- C220 H276 B4 F95.22 Fe4 N8 P16 Si4 -","4","1","","Piascik, Adam D.; Hill, Peter J.; Crawford, Andrew D.; Doyle, Laurence R.; Green, Jennifer; Ashley, Andrew Edward","Cationic silyldiazenido complexes of the Fe(diphosphine)2(N2) platform: structural and electronic models for an elusive first intermediate in N2 fixation","Chem. Commun.","2017","","","","","10.1039/C7CC04188H","","x-ray","0.71073","MoKα","","0.0789","0.0589","","","0.1471","0.1666","","","","","","1.049","","","","has coordinates,has disorder","197949","2020-10-21","18:00:00",""
"7120299","11.3813","0.0006","21.4624","0.0012","16.7387","0.001","90","","103.004","0.0015","90","","3983.9","0.4","150","2","150","","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","[Fe3(NH2-trz)6(SCN)6]n (SCN)n","","- C18 H24 Fe3 N30 S6 -","- C18 H24 Fe3 N30 S6 -","- C72 H96 Fe12 N120 S24 -","4","1","","Chen, Wen-Bin; Leng, Ji-Dong; Wang, Zi-Zhou; Chen, Yan-Cong; Miao, Yu; Tong, Mingliang; Dong, Wen","Reversible Crystal-to-Crystal Transformation from Trinuclear Cluster to 1D Chain and Corresponding Spin Crossover (SCO) Behaviour Change","Chem. Commun.","2017","","","","","10.1039/C7CC04036A","","","0.71073","MoKα","","0.127","0.0723","","","0.1838","0.2261","","","","","","1.061","","","","has coordinates","197951","2020-10-21","18:00:00",""
"7120300","11.3202","0.0005","21.2403","0.0012","16.7606","0.0009","90","","102.984","0.002","90","","3927","0.4","100","2","99.59","","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","[Fe3(NH2-trz)6(SCN)6]n (SCN)n","","- C18 H24 Fe3 N30 S6 -","- C18 H24 Fe3 N30 S6 -","- C72 H96 Fe12 N120 S24 -","4","1","","Chen, Wen-Bin; Leng, Ji-Dong; Wang, Zi-Zhou; Chen, Yan-Cong; Miao, Yu; Tong, Mingliang; Dong, Wen","Reversible Crystal-to-Crystal Transformation from Trinuclear Cluster to 1D Chain and Corresponding Spin Crossover (SCO) Behaviour Change","Chem. Commun.","2017","","","","","10.1039/C7CC04036A","","","0.71073","MoKα","","0.1164","0.0678","","","0.1751","0.208","","","","","","1.059","","","","has coordinates","197951","2020-10-21","18:00:00",""
"7120301","11.5947","0.0004","23.0335","0.0007","16.4924","0.0005","90","","103.262","0.002","90","","4287.1","0.2","150","2","150","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","[Fe3(NH2-trz)6(SCN)5(H2O)] (SCN).4H2O","","- C18 H34 Fe3 N30 O5 S6 -","- C18 H34 Fe3 N30 O5 S6 -","- C72 H136 Fe12 N120 O20 S24 -","4","1","","Chen, Wen-Bin; Leng, Ji-Dong; Wang, Zi-Zhou; Chen, Yan-Cong; Miao, Yu; Tong, Mingliang; Dong, Wen","Reversible Crystal-to-Crystal Transformation from Trinuclear Cluster to 1D Chain and Corresponding Spin Crossover (SCO) Behaviour Change","Chem. Commun.","2017","","","","","10.1039/C7CC04036A","","","0.71073","MoKα","","0.0754","0.05","","","0.1354","0.1507","","","","","","1.057","","","","has coordinates","197951","2020-10-21","18:00:00",""
"7120302","11.5569","0.0005","21.7106","0.0011","17.1108","0.0009","90","","103.478","0.0014","90","","4175","0.4","293","","293","","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","[Fe3(NH2-trz)6(SCN)6]n (SCN)n","","- C18 H24 Fe3 N30 S6 -","- C18 H24 Fe3 N30 S6 -","- C72 H96 Fe12 N120 S24 -","4","1","","Chen, Wen-Bin; Leng, Ji-Dong; Wang, Zi-Zhou; Chen, Yan-Cong; Miao, Yu; Tong, Mingliang; Dong, Wen","Reversible Crystal-to-Crystal Transformation from Trinuclear Cluster to 1D Chain and Corresponding Spin Crossover (SCO) Behaviour Change","Chem. Commun.","2017","","","","","10.1039/C7CC04036A","","","0.71073","MoKα","","0.1406","0.0695","","","0.1847","0.2419","","","","","","1.052","","","","has coordinates","197951","2020-10-21","18:00:00",""
"7120303","11.5773","0.0004","23.0123","0.0009","16.4758","0.0007","90","","103.258","0.001","90","","4272.5","0.3","100","2","100","","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","[Fe3(NH2-trz)6(SCN)5(H2O)] (SCN).4H2O","","- C18 H34 Fe3 N30 O5 S6 -","- C18 H34 Fe3 N30 O5 S6 -","- C72 H136 Fe12 N120 O20 S24 -","4","1","","Chen, Wen-Bin; Leng, Ji-Dong; Wang, Zi-Zhou; Chen, Yan-Cong; Miao, Yu; Tong, Mingliang; Dong, Wen","Reversible Crystal-to-Crystal Transformation from Trinuclear Cluster to 1D Chain and Corresponding Spin Crossover (SCO) Behaviour Change","Chem. Commun.","2017","","","","","10.1039/C7CC04036A","","","0.71073","MoKα","","0.0888","0.0582","","","0.1419","0.1598","","","","","","1.03","","","","has coordinates","197951","2020-10-21","18:00:00",""
"7120304","11.7202","0.0003","23.0483","0.0006","16.8628","0.0004","90","","103.444","0.001","90","","4430.34","0.19","296","2","296","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","[Fe3(NH2-trz)6(SCN)5(H2O)] (SCN).4H2O","","- C18 H26 Fe3 N30 O S6 -","- C18 H26 Fe3 N30 O S6 -","- C72 H104 Fe12 N120 O4 S24 -","4","1","","Chen, Wen-Bin; Leng, Ji-Dong; Wang, Zi-Zhou; Chen, Yan-Cong; Miao, Yu; Tong, Mingliang; Dong, Wen","Reversible Crystal-to-Crystal Transformation from Trinuclear Cluster to 1D Chain and Corresponding Spin Crossover (SCO) Behaviour Change","Chem. Commun.","2017","","","","","10.1039/C7CC04036A","","","0.71073","MoKα","","0.0787","0.0502","","","0.1373","0.1542","","","","","","1.052","","","","has coordinates","197951","2020-10-21","18:00:00",""
"7120305","11.4352","0.0006","21.6118","0.0012","16.7548","0.0009","90","","103.036","0.0015","90","","4034","0.4","200","","200","","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","[Fe3(NH2-trz)6(SCN)6]n (SCN)n","","- C18 H24 Fe3 N30 S6 -","- C18 H24 Fe3 N30 S6 -","- C72 H96 Fe12 N120 S24 -","4","1","","Chen, Wen-Bin; Leng, Ji-Dong; Wang, Zi-Zhou; Chen, Yan-Cong; Miao, Yu; Tong, Mingliang; Dong, Wen","Reversible Crystal-to-Crystal Transformation from Trinuclear Cluster to 1D Chain and Corresponding Spin Crossover (SCO) Behaviour Change","Chem. Commun.","2017","","","","","10.1039/C7CC04036A","","","0.71073","MoKα","","0.1272","0.0721","","","0.1839","0.2308","","","","","","1.047","","","","has coordinates","197951","2020-10-21","18:00:00",""
"7120306","20.1652","0.0005","21.0142","0.0005","21.8327","0.0006","70.114","0.002","89.128","0.002","89.198","0.002","8698.7","0.4","153","2","153","2","","","","","","","","5","P -1","-P 1","2","","","","- C364 H450 N24 O10 Si20 -","- C364 H450 N24 O10 Si20 -","- C364 H450 N24 O10 Si20 -","1","0.5","","wang, zilong; Gu, peiyang; Liu, Guangfeng; Yao, Hui-ying; Wu, Yi-Shi; Li, Yongxin; Ganguly, Rakesh; Zhu, Jia; Fu, Hongbing; zhang, qichun","A Large Pyrene-Fused N-Heteroacene: Fifteen Aromatic Six-Membered Rings Annulated in One Row","Chem. Commun.","2017","","","","","10.1039/C7CC03898D","","","1.54178","CuKα","","0.2578","0.1019","","","0.2314","0.324","","","","","","0.931","","","","has coordinates,has disorder","197952","2020-10-21","18:00:00",""
"7120307","12.6348","0.0009","14.2874","0.0018","14.4663","0.001","99.892","0.006","113.792","0.004","102.214","0.006","2236.8","0.4","293","2","293","2","","","","","","","Synthesis","6","P -1","-P 1","2","","Unknown","","- C48 H59 Co N2 O2 S -","- C48 H59 Co N2 O2 S -","- C96 H118 Co2 N4 O4 S2 -","2","1","","Mukherjee, Chandan; Paul, Ganesh Chandra; Ghorai, Samir","Monoradical-Containing Four-Coordinate Co(III) Complexes: Homolytic S-S, Se-Se Bond Cleavage and Catalytic Isocyanate to Urea Conversion Under Sunlight","Chem. Commun.","2017","","","","","10.1039/C7CC03486E","","x-ray","0.71073","MoKα","","0.1238","0.055","","","0.1227","0.1634","","","","","","1.022","","","","has coordinates","198019","2020-10-21","18:00:00",""
"7120308","10.5924","0.0005","36.8212","0.0015","14.0563","0.0006","90","","96.839","0.004","90","","5443.3","0.4","100","2","100","2","","","","","","","Synthesis","6","P 1 21 1","P 2yb","4","","Unknown","","- C58 H63 Co N2 O2 Se -","- C58 H63.5 Co N2 O2 Se -","- C232 H254 Co4 N8 O8 Se4 -","4","2","","Mukherjee, Chandan; Paul, Ganesh Chandra; Ghorai, Samir","Monoradical-Containing Four-Coordinate Co(III) Complexes: Homolytic S-S, Se-Se Bond Cleavage and Catalytic Isocyanate to Urea Conversion Under Sunlight","Chem. Commun.","2017","","","","","10.1039/C7CC03486E","","x-ray","0.71073","MoKα","","0.091","0.0704","","","0.163","0.1804","","","","","","1.082","","","","has coordinates","202518","2020-10-21","18:00:00",""
"7120309","5.9742","0.0003","12.7038","0.0011","13.2139","0.0007","73.037","0.007","85.63","0.004","83.989","0.007","952.87","0.11","296","2","296","2","","","","","","","synthesis","5","P -1","-P 1","2","","unk","","- C42 H54 Co N2 O2 -","- C42 H52 Co N2 O2 -","- C42 H52 Co N2 O2 -","1","0.5","","Mukherjee, Chandan; Paul, Ganesh Chandra; Ghorai, Samir","Monoradical-Containing Four-Coordinate Co(III) Complexes: Homolytic S-S, Se-Se Bond Cleavage and Catalytic Isocyanate to Urea Conversion Under Sunlight","Chem. Commun.","2017","","","","","10.1039/C7CC03486E","","x-ray","0.71073","MoKα","","0.0976","0.0766","","","0.1923","0.2096","","","","","","1.057","","","","has coordinates","198019","2020-10-21","18:00:00",""
"7120310","12.6286","0.0006","14.1944","0.0005","15.1025","0.0005","79.358","0.003","78.791","0.003","68.866","0.004","2457.45","0.18","293","2","293","2","","","","","","","","6","P -1","-P 1","2","","Unknown","","- C54 H61 Cl Co N3 O2 -","- C54 H61 Cl Co N3 O2 -","- C108 H122 Cl2 Co2 N6 O4 -","2","1","","Mukherjee, Chandan; Paul, Ganesh Chandra; Ghorai, Samir","Monoradical-Containing Four-Coordinate Co(III) Complexes: Homolytic S-S, Se-Se Bond Cleavage and Catalytic Isocyanate to Urea Conversion Under Sunlight","Chem. Commun.","2017","","","","","10.1039/C7CC03486E","","x-ray","0.71073","MoKα","","0.0694","0.0547","","","0.1385","0.1522","","","","","","1.032","","","","has coordinates","198019","2020-10-21","18:00:00",""
"7120311","13.2465","0.0003","16.1975","0.0004","48.3989","0.0008","90","","92.1863","0.0017","90","","10376.9","0.4","293","2","293","2","","","","","","","Synthesis","6","P 1 21/n 1","-P 2yn","14","","Unknown","","- C58 H63 Co N2 O2 S -","- C58 H63 Co N2 O2 S -","- C464 H504 Co8 N16 O16 S8 -","8","2","","Mukherjee, Chandan; Paul, Ganesh Chandra; Ghorai, Samir","Monoradical-Containing Four-Coordinate Co(III) Complexes: Homolytic S-S, Se-Se Bond Cleavage and Catalytic Isocyanate to Urea Conversion Under Sunlight","Chem. Commun.","2017","","","","","10.1039/C7CC03486E","","x-ray","0.71073","MoKα","","0.0764","0.0581","","","0.126","0.1358","","","","","","1.076","","","","has coordinates","198019","2020-10-21","18:00:00",""
"7120312","15.3395","0.0002","15.3395","0.0002","16.7305","0.0006","90","","90","","90","","3936.69","0.16","293","2","293","2","","","","","","","Synthesis","6","P 43","P 4cw","78","","Unknown","","- C42 H54 Cl Co N2 O2 -","- C42 H54 Cl Co N2 O2 -","- C168 H216 Cl4 Co4 N8 O8 -","4","1","","Mukherjee, Chandan; Paul, Ganesh Chandra; Ghorai, Samir","Monoradical-Containing Four-Coordinate Co(III) Complexes: Homolytic S-S, Se-Se Bond Cleavage and Catalytic Isocyanate to Urea Conversion Under Sunlight","Chem. Commun.","2017","","","","","10.1039/C7CC03486E","","x-ray","0.71073","MoKα","","0.0542","0.0448","","","0.1046","0.1135","","","","","","1.043","","","","has coordinates","198019","2020-10-21","18:00:00",""
"7120313","10.21904","0.00012","11.88874","0.00013","24.5399","0.0003","90","","90","","90","","2981.39","0.06","293","2","293","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","di-tert-butyl (3R,3'R,5'R)-2-oxo-2',3'-diphenylspiro[indoline-3,4'-isoxazolidine]-1,5'-dicarboxylate","","- C32 H34 N2 O6 -","- C32 H34 N2 O6 -","- C128 H136 N8 O24 -","4","1","","Zhang, Dong; Yin, Chengkai; Zhou, Yuhang; Xu, Yali; Lin, Lili; Liu, Xiaohua; Feng, Xiaoming","Chiral N,N’-Dioxide/Co(II)-Promoted Asymmetric 1,3-Dipolar Cycloaddition of Nitrones with Methyleneindolinones","Chem. Commun.","2017","","","","","10.1039/C7CC03575F","","x-ray","1.54184","CuKα","","0.0514","0.049","","","0.1309","0.1343","","","","","","1.046","","","","has coordinates","198054","2020-10-21","18:00:00",""
"7120314","30.261","0.004","30.261","0.004","30.261","0.004","90","","90","","90","","27711","6","220","2","220","2","","","","","","","copper nitrate, tetranitrobiphenyl dicarboxylic acid","5","I m -3 m","-I 4 2 3","229","CuNbO-1","CuNbO-1","","- C14 H6 Cu N4 O13 -","- C14 H6 Cu N4 O13 -","- C168 H72 Cu12 N48 O156 -","12","0.125","","McDonald, Kyle Andrew; Ko, Nakeun; Noh, Kyungkyou; Bennion, Jonathan C.; Kim, Jaheon; Matzger, Adam","Thermal Decomposition Pathways of Nitro-functionalized Metal-Organic Frameworks","Chem. Commun.","2017","","","","","10.1039/C7CC03354K","","","0.9","synchrotron","","0.0849","0.0777","","","0.2517","0.262","","","","","","1.101","","","","has coordinates","198055","2020-10-21","18:00:00",""
"7120315","45.724","0.007","45.724","0.007","10.778","0.002","90","","90","","120","","19514","6","95","2","95","2","","","","","","","copper nitrate, dinitrobiphenyl dicarboxylic acid","5","R -3 :H","-R 3","148","CuNbO-2","CuNbO-2","","- C22 H24 Cu N4 O10 -","- C22 H24 Cu N4 O10 -","- C396 H432 Cu18 N72 O180 -","18","1","","McDonald, Kyle Andrew; Ko, Nakeun; Noh, Kyungkyou; Bennion, Jonathan C.; Kim, Jaheon; Matzger, Adam","Thermal Decomposition Pathways of Nitro-functionalized Metal-Organic Frameworks","Chem. Commun.","2017","","","","","10.1039/C7CC03354K","","","0.8","synchrotron","","0.1055","0.0998","","","0.3196","0.3247","","","","","","1.51","","","","has coordinates,has disorder","198055","2020-10-21","18:00:00",""
"7120316","7.2462","0.0009","8.215","0.001","20.228","0.003","90","","93.583","0.01","90","","1201.8","0.3","293","2","293","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C15 H11 N O3 -","- C15 H11 N O3 -","- C60 H44 N4 O12 -","4","1","","Liao, Gang; Song, Hong; Yin, Xue-Song; Shi, Bing-Feng","Expeditious Synthesis of Pyrano[2,3,4-de]quinolines via Rh(III)-Catalyzed Cascade C‒H Activation/Annulation/Lactonization of Quinolin-4-ol with Alkynes","Chem. Commun.","2017","","","","","10.1039/C7CC04113F","","","0.71073","MoKα","","0.0765","0.0423","","","0.1002","0.1198","","","","","","1.031","","","","has coordinates","198056","2020-10-21","18:00:00",""
"7120317","9.7012","0.0006","9.8809","0.0004","23.0792","0.0012","84.726","0.002","83.754","0.002","61.541","0.002","1931.38","0.18","100","2","100","","","","","","","","","6","P -1","-P 1","2","","","","- C37 H62 Cl Ga2 N2 P -","- C37 H62 Cl Ga2 N2 P -","- C74 H124 Cl2 Ga4 N4 P2 -","2","1","","Lemp, Otfried; Balmer, Markus; Reiter, Kevin; Weigend, Florian; von Hänisch, Carsten","An NHC‒phosphinidenyl as a synthon for new group 13/15 compounds","Chem. Commun.","2017","","","","","10.1039/C7CC04422D","","","0.71073","MoKα","","0.0498","0.0327","","","0.0569","0.0608","","","","","","1.028","","","","has coordinates","198099","2020-10-21","18:00:00",""
"7120318","18.394","0.0007","18.394","0.0007","33.9598","0.0012","90","","90","","120","","9950.6","0.6","100","2","100.02","","","","","","","","","6","R -3","-R 3","148","","","","- C67 H87 Al K N6 P3 -","- C67 H87 Al K N6 P3 -","- C402 H522 Al6 K6 N36 P18 -","6","","","Lemp, Otfried; Balmer, Markus; Reiter, Kevin; Weigend, Florian; von Hänisch, Carsten","An NHC‒phosphinidenyl as a synthon for new group 13/15 compounds","Chem. Commun.","2017","","","","","10.1039/C7CC04422D","","","0.71073","MoKα","","0.1055","0.0562","","","0.108","0.1171","","","","","","1.069","","","","has coordinates","198099","2020-10-21","18:00:00",""
"7120319","10.8193","0.0005","13.6219","0.0007","17.1442","0.0008","105.261","0.002","101.977","0.002","98.128","0.002","2332.5","0.2","110","2","109.99","","","","","","","","","6","P -1","-P 1","2","","","","- C50 H66 Cl Ga N2 P -","- C50 H66 Cl Ga N2 P -","- C100 H132 Cl2 Ga2 N4 P2 -","2","1","","Lemp, Otfried; Balmer, Markus; Reiter, Kevin; Weigend, Florian; von Hänisch, Carsten","An NHC‒phosphinidenyl as a synthon for new group 13/15 compounds","Chem. Commun.","2017","","","","","10.1039/C7CC04422D","","","0.71073","MoKα","","0.0553","0.0366","","","0.0733","0.0795","","","","","","1.024","","","","has coordinates,has disorder","198099","2020-10-21","18:00:00",""
"7120320","15.7801","0.0008","7.4805","0.0004","16.1842","0.0008","90","","90","","90","","1910.43","0.17","115","2","115.01","","","","","","","","","4","P b c n","-P 2n 2ab","60","","","","- C21 H27 N2 P -","- C21 H27 N2 P -","- C84 H108 N8 P4 -","4","0.5","","Lemp, Otfried; Balmer, Markus; Reiter, Kevin; Weigend, Florian; von Hänisch, Carsten","An NHC‒phosphinidenyl as a synthon for new group 13/15 compounds","Chem. Commun.","2017","","","","","10.1039/C7CC04422D","","","0.71073","MoKα","","0.0393","0.0355","","","0.0976","0.1012","","","","","","1.026","","","","has coordinates","198099","2020-10-21","18:00:00",""
"7120321","9.604","0.0006","10.8306","0.0007","16.4507","0.001","83.758","0.002","87.788","0.002","68.557","0.002","1583.27","0.17","115","2","114.99","","","","","","","","","6","P -1","-P 1","2","","","","- C29 H45 Al Cl N2 P -","- C29 H45 Al Cl N2 P -","- C58 H90 Al2 Cl2 N4 P2 -","2","1","","Lemp, Otfried; Balmer, Markus; Reiter, Kevin; Weigend, Florian; von Hänisch, Carsten","An NHC‒phosphinidenyl as a synthon for new group 13/15 compounds","Chem. Commun.","2017","","","","","10.1039/C7CC04422D","","","0.71073","MoKα","","0.1094","0.061","","","0.1204","0.1316","","","","","","1.033","","","","has coordinates,has disorder","198099","2020-10-21","18:00:00",""
"7120322","11.86","0.0006","12.9739","0.0007","22.3682","0.0012","100.545","0.002","101.098","0.002","106.378","0.002","3135.8","0.3","110","2","110","","","","","","","","","5","P -1","-P 1","2","","","","- C58 H88 Ga2 N4 P2 -","- C58 H88 Ga2 N4 P2 -","- C116 H176 Ga4 N8 P4 -","2","1","","Lemp, Otfried; Balmer, Markus; Reiter, Kevin; Weigend, Florian; von Hänisch, Carsten","An NHC‒phosphinidenyl as a synthon for new group 13/15 compounds","Chem. Commun.","2017","","","","","10.1039/C7CC04422D","","","0.71073","MoKα","","0.072","0.0434","","","0.092","0.0981","","","","","","1.041","","","","has coordinates","198099","2020-10-21","18:00:00",""
"7120323","22.302","0.005","15.922","0.005","10.848","0.005","90","0.005","108.945","0.005","90","0.005","3643","2","298","2","298","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C35 H32 Cl2 N4 O4 Zn -","- C35 H34 Cl2 N4 O4 Zn -","- C140 H136 Cl8 N16 O16 Zn4 -","4","0.5","","Tian, Xiaohe; Zhu, Yingzhong; Zhang, Qiong; Zhang, Ruilong; Wu, Jieying; Tian, Yupeng","Halides Tuning Subcellular-Targeting in Two-Photon Emissive Complexes via Different Uptake Mechanisms","Chem. Commun.","2017","","","","","10.1039/C7CC03640J","","","0.71069","MoKα","","0.0838","0.0469","","","0.137","0.1775","","","","","","1.146","","","","has coordinates","198100","2020-10-21","18:00:00",""
"7120324","27.37","0.003","15.939","0.0015","34.916","0.003","90","","118.79","0.001","90","","13349","2","296","2","296","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C117 H120 Br8 N16 O19 Zn4 -","- C117 H120 Br8 N16 O19 Zn4 -","- C468 H480 Br32 N64 O76 Zn16 -","4","0.5","","Tian, Xiaohe; Zhu, Yingzhong; Zhang, Qiong; Zhang, Ruilong; Wu, Jieying; Tian, Yupeng","Halides Tuning Subcellular-Targeting in Two-Photon Emissive Complexes via Different Uptake Mechanisms","Chem. Commun.","2017","","","","","10.1039/C7CC03640J","","","0.71073","MoKα","","0.1249","0.0699","","","0.2098","0.2347","","","","","","1.041","","","","has coordinates,has disorder","198100","2020-10-21","18:00:00",""
"7120325","11.3361","0.0013","48.595","0.006","9.4566","0.0011","90","","90","","90","","5209.4","1.1","291","2","291","2","","","","","","","","4","A e a 2","A 2 -2ab","41","","","","- C29 H28 N4 O4 -","- C29 H28 N4 O4 -","- C232 H224 N32 O32 -","8","1","","Tian, Xiaohe; Zhu, Yingzhong; Zhang, Qiong; Zhang, Ruilong; Wu, Jieying; Tian, Yupeng","Halides Tuning Subcellular-Targeting in Two-Photon Emissive Complexes via Different Uptake Mechanisms","Chem. Commun.","2017","","","","","10.1039/C7CC03640J","","","0.71073","MoKα","","0.0699","0.0535","","","0.154","0.1723","","","","","","1.043","","","","has coordinates","198100","2020-10-21","18:00:00",""
"7120326","12.1743","0.0007","16.1294","0.0009","17.5665","0.001","90","","105.845","0.001","90","","3318.4","0.3","296","2","296","2","","","","","","","","7","P 1 2/n 1","-P 2yac","13","","","","- C30 H30 Cl2 I2 N4 O4 Zn -","- C30 H28 Cl2 I2 N4 O4 Zn -","- C120 H112 Cl8 I8 N16 O16 Zn4 -","4","1","","Tian, Xiaohe; Zhu, Yingzhong; Zhang, Qiong; Zhang, Ruilong; Wu, Jieying; Tian, Yupeng","Halides Tuning Subcellular-Targeting in Two-Photon Emissive Complexes via Different Uptake Mechanisms","Chem. Commun.","2017","","","","","10.1039/C7CC03640J","","","0.71073","MoKα","","0.0565","0.0475","","","0.141","0.15","","","","","","1.091","","","","has coordinates","198100","2020-10-21","18:00:00",""
"7120327","6.4775","0.0013","7.7267","0.0015","35.195","0.007","90","","90","","90","","1761.5","0.6","293","2","293","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","1.HOAc","","- C19 H21 N3 O3 -","- C19 H21 N3 O3 -","- C76 H84 N12 O12 -","4","1","","Zhang, Hongyu; Liu, Huapeng; Cheng, Xiao; Zhang, houyu; Wang, Yue; Yamaguchi, Shigehiro","ESIPT-Active Organic Compounds with White Luminescence Based on Crystallization-Induced Keto Emission (CIKE)","Chem. Commun.","2017","","","","","10.1039/C7CC03758A","","","0.71073","MoKα","","0.1037","0.0634","","","0.2972","0.4256","","","","","","0.457","","","","has coordinates","198101","2020-10-21","18:00:00",""
"7120328","8.516","0.004","10.555","0.005","35.019","0.014","90","","90","","90","","3148","2","293","2","293","2","","","","","","","","4","P -1","-P 1","2","","4","","- C18 H19 N3 O2 -","- C18 H19 N3 O2 -","- C144 H152 N24 O16 -","8","4","","Zhang, Hongyu; Liu, Huapeng; Cheng, Xiao; Zhang, houyu; Wang, Yue; Yamaguchi, Shigehiro","ESIPT-Active Organic Compounds with White Luminescence Based on Crystallization-Induced Keto Emission (CIKE)","Chem. Commun.","2017","","","","","10.1039/C7CC03758A","","","0.71073","MoKα","","0.3359","0.1245","","","0.2309","0.3418","","","","","","0.999","","","","has coordinates","198101","2020-10-21","18:00:00",""
"7120329","6.2423","0.0018","7.698","0.004","30.617","0.009","90","","94.29","0.02","90","","1467.1","1","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","3","","- C17 H16 F N3 O -","- C17 H16 F N3 O -","- C68 H64 F4 N12 O4 -","4","1","","Zhang, Hongyu; Liu, Huapeng; Cheng, Xiao; Zhang, houyu; Wang, Yue; Yamaguchi, Shigehiro","ESIPT-Active Organic Compounds with White Luminescence Based on Crystallization-Induced Keto Emission (CIKE)","Chem. Commun.","2017","","","","","10.1039/C7CC03758A","","","0.71073","MoKα","","0.0928","0.0611","","","0.1523","0.1661","","","","","","0.994","","","","has coordinates","198101","2020-10-21","18:00:00",""
"7120330","8.2675","0.001","9.2336","0.0011","20.109","0.003","90","","99.166","0.002","90","","1515.5","0.3","293","2","293","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","2","","- C18 H19 N3 O -","- C18 H19 N3 O -","- C72 H76 N12 O4 -","4","1","","Zhang, Hongyu; Liu, Huapeng; Cheng, Xiao; Zhang, houyu; Wang, Yue; Yamaguchi, Shigehiro","ESIPT-Active Organic Compounds with White Luminescence Based on Crystallization-Induced Keto Emission (CIKE)","Chem. Commun.","2017","","","","","10.1039/C7CC03758A","","","0.71073","MoKα","","0.0695","0.0489","","","0.1085","0.1203","","","","","","1.051","","","","has coordinates","198101","2020-10-21","18:00:00",""
"7120331","18.2533","0.0011","6.3201","0.0003","20.6576","0.0011","90","","90","","90","","2383.1","0.2","296","2","296","2","","","","","","","","4","P c a 21","P 2c -2ac","29","","2-(5-phenyl-1H-pyrazol-3-yl)phenol","","- C2.5 H2 N0.33 O0.17 -","- C2.5 H2 N0.333333 O0.166667 -","- C120 H96 N16 O8 -","48","12","","Zhang, Hongyu; Liu, Huapeng; Cheng, Xiao; Zhang, houyu; Wang, Yue; Yamaguchi, Shigehiro","ESIPT-Active Organic Compounds with White Luminescence Based on Crystallization-Induced Keto Emission (CIKE)","Chem. Commun.","2017","","","","","10.1039/C7CC03758A","","","0.71073","MoKα","","0.0653","0.0453","","","0.0997","0.1141","","","","","","1.023","","","","has coordinates","198101","2020-10-21","18:00:00",""
"7120332","5.9445","0.0011","7.7091","0.0014","15.328","0.003","90","","93.942","0.003","90","","700.8","0.2","293","2","293","2","","","","","","","","4","P 1 21 1","P 2yb","4","","1","","- C17 H17 N3 O -","- C17 H17 N3 O -","- C34 H34 N6 O2 -","2","1","","Zhang, Hongyu; Liu, Huapeng; Cheng, Xiao; Zhang, houyu; Wang, Yue; Yamaguchi, Shigehiro","ESIPT-Active Organic Compounds with White Luminescence Based on Crystallization-Induced Keto Emission (CIKE)","Chem. Commun.","2017","","","","","10.1039/C7CC03758A","","","0.71073","MoKα","","0.0695","0.0514","","","0.1138","0.1433","","","","","","1.112","","","","has coordinates","198101","2020-10-21","18:00:00",""
"7120333","7.646","0.0006","8.5134","0.0008","12.6646","0.0011","85.15","0.003","83.269","0.003","87.675","0.003","815.38","0.12","100","0.2","100","0.2","","","","","","","","6","P -1","-P 1","2","Benzylthiazolium pyrophosphate","","","- C13 H17 N O7 P2 S -","- C13 H17 N O7 P2 S -","- C26 H34 N2 O14 P4 S2 -","2","1","","Dince, Clément C.; Meoded, Roy A.; Hilvert, Donald","Synthesis and characterization of catalytically active thiazolium gold(i)-carbenes","Chem. Commun.","2017","","","","","10.1039/C7CC03791K","","x-ray","0.71073","MoKα","","0.0459","0.0378","","","0.0878","0.0912","","","","","","1.103","","","","has coordinates","198102","2020-10-21","18:00:00",""
"7120334","8.7017","0.0007","8.804","0.0007","10.7083","0.0009","108.863","0.003","91.805","0.003","114.116","0.003","695.72","0.1","100","0.2","100","0.2","","","","","","","","7","P -1","-P 1","2","Benzylthiazolium-gold(I) chloride","","","- C13 H15 Au Cl N O S -","- C13 H15 Au Cl N O S -","- C26 H30 Au2 Cl2 N2 O2 S2 -","2","1","","Dince, Clément C.; Meoded, Roy A.; Hilvert, Donald","Synthesis and characterization of catalytically active thiazolium gold(i)-carbenes","Chem. Commun.","2017","","","","","10.1039/C7CC03791K","","x-ray","0.71073","MoKα","","0.0182","0.0166","","","0.0421","0.0428","","","","","","1.112","","","","has coordinates","198102","2020-10-21","18:00:00",""
"7120335","15.552","0.003","17.106","0.003","20.345","0.004","109.332","0.004","104.391","0.004","96.259","0.004","4837.4","1.6","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","FUSED BICYCLIC EXPANDED ISOPHLORIN","","- C99 H37 Cl3 F20 S10 -","- C99 H37 Cl3 F20 S10 -","- C198 H74 Cl6 F40 S20 -","2","1","","Reddy, Baddigam Kiran; Rawson, Jeff; Gadekar, Santosh C.; Kogerler, Paul; Anand, Venkataramanarao Govindan","Naphthalene-fused Dimer of an Anti-aromatic Expanded Isophlorin","Chem. Commun.","2017","","","","","10.1039/C7CC04050D","","","0.71073","MoKα","","0.2802","0.1198","","","0.2465","0.2895","","","","","","1.143","","","","has coordinates","198124","2020-10-21","18:00:00",""
"7120336","7.67257","0.00005","13.30378","0.00006","15.10494","0.00007","90","","90","","90","","1541.82","0.014","100","","100","","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","Cornexistin","","- C16 H20 O6 -","- C16 H20 O6 -","- C64 H80 O24 -","4","1","","Williams, Katherine; Szwalbe, Agnieszka; Dickson, Claire Louise; Desson, Tim; Mulholland, Nicholas P.; Vincent, Jason L.; Clough, John; Bailey, Andrew M.; Butts, Craig Philip; Willis, Christine L.; Simpson, Thomas J.; Cox, Russell","Genetic and Chemical Characterisation of the Cornexistin Pathway Provides Further Insight into Maleidride Biosynthesis","Chem. Commun.","2017","","","","","10.1039/C7CC03303F","","","1.54184","CuKα","","0.0228","0.0226","","0.0553","0.0551","0.0553","","","","","","0.9905","","","","has coordinates","198125","2020-10-21","18:00:00",""
"7120337","7.8751","0.0009","8.232","0.0004","8.8523","0.0012","73.986","0.008","73.564","0.011","83.983","0.008","528.84","0.1","298","","298","","","","","","","","","3","P -1","-P 1","2","","","","- C13 H12 O2 -","- C13 H12 O2 -","- C26 H24 O4 -","2","1","","Satpathi, Bishnupada; Wagulde , Siddhant V.; Ramasastry, S. S. V.","Enantioselective organocatalytic intramolecular Morita-Baylis-Hillman (IMBH) reaction of dienones, and elaboration of the IMBH adducts to fluorenones","Chem. Commun.","2017","","","","","10.1039/C7CC02524F","","x-ray","0.71073","MoKα","","0.1444","0.0969","","","0.2396","0.2917","","","","","","1.4669","","","","has coordinates","198126","2020-10-21","18:00:00",""
"7120338","10.1899","0.0004","13.3377","0.0005","14.494","0.0007","90","","90","","90","","1969.88","0.14","","","","","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C25 H20 O3 -","- C25 H20 O3 -","- C100 H80 O12 -","4","1","","Satpathi, Bishnupada; Wagulde , Siddhant V.; Ramasastry, S. S. V.","Enantioselective organocatalytic intramolecular Morita-Baylis-Hillman (IMBH) reaction of dienones, and elaboration of the IMBH adducts to fluorenones","Chem. Commun.","2017","","","","","10.1039/C7CC02524F","","","0.71073","MoKα","","0.1099","0.0593","","","0.1576","0.1979","","","","","","1.0529","","","","has coordinates","278046","2022-09-21","15:45:42",""
"7120339","23.0163","0.0007","14.091","0.0003","20.0026","0.0006","90","","105.909","0.002","90","","6238.8","0.3","100","2","100","2","","","","","","","","6","C 1 c 1","C -2yc","9","","","","- C64 H72 Fe Li2 O10 Si4 -","- C64 H72 Fe Li2 O10 Si4 -","- C256 H288 Fe4 Li8 O40 Si16 -","4","1","","Limberg, Christian; Pinkert, Denise; Keck, Matthias; Ghassemi Tabrizi, Shadan; Beckmann, Fabian; Braun, Beatrice; Herwig, Christian; Kaupp, Martin","A High-Spin Square Planar Iron(II)-Siloxide and its Tetrahedral Allogon ‒ Structural and Spectroscopic Models of Fe-Zeolite Sites","Chem. Commun.","2017","","","","","10.1039/C7CC04670G","","","0.71073","MoKα","","0.0623","0.0454","","","0.087","0.0915","","","","","","0.934","","","","has coordinates,has disorder","198144","2020-10-21","18:00:00",""
"7120340","12.7108","0.0004","12.8539","0.0004","21.7124","0.0007","82.518","0.002","80.847","0.002","62.515","0.001","3100.44","0.17","100","2","100","2","","","","","","","","6","P -1","-P 1","2","","","","- C64 H72 Fe Li2 O10 Si4 -","- C64 H72 Fe Li2 O10 Si4 -","- C128 H144 Fe2 Li4 O20 Si8 -","2","1","","Limberg, Christian; Pinkert, Denise; Keck, Matthias; Ghassemi Tabrizi, Shadan; Beckmann, Fabian; Braun, Beatrice; Herwig, Christian; Kaupp, Martin","A High-Spin Square Planar Iron(II)-Siloxide and its Tetrahedral Allogon ‒ Structural and Spectroscopic Models of Fe-Zeolite Sites","Chem. Commun.","2017","","","","","10.1039/C7CC04670G","","","0.71073","MoKα","","0.064","0.0447","","","0.1075","0.1159","","","","","","0.996","","","","has coordinates","198144","2020-10-21","18:00:00",""
"7120341","6.8131","0.0003","13.5955","0.0006","37.7352","0.0018","90","","90","","90","","3495.3","0.3","293","2","293","2","","","","","","","","6","P b c a","-P 2ac 2ab","61","","","","- C16 H9 Fe2 N O6 S2 -","- C16 H9 Fe2 N O6 S2 -","- C128 H72 Fe16 N8 O48 S16 -","8","1","","Ahmed, Md. Estak; Dey, Subal; Mondal, Biswajit; Dey, Abhishek","H2 Evolution Catalyzed by FeFe-Hydrogenase Synthetic Model Covalently Attached to Graphite Surface","Chem. Commun.","2017","","","","","10.1039/C7CC04281G","","","0.71073","MoKα","","0.0586","0.037","","","0.0668","0.073","","","","","","1.032","","","","has coordinates","198145","2020-10-21","18:00:00",""
"7120342","25.8073","0.0007","15.8321","0.0004","21.8036","0.0015","90","","97.922","0.003","90","","8823.6","0.7","293","2","293","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C94 H82 O28 P4 Ti6 -","- C78 H82 O26 P4 Ti6 -","- C312 H328 O104 P16 Ti24 -","4","0.5","","Narayanam, Nagaraju; Fang, Wei-Hui; Chintakrinda, Kalpana; Zhang, Lei; Zhang, Jian","Deep Eutectic-Solvothermal Synthesis of Titanium-Oxo Clusters Protected by π-Conjugate Chromophores","Chem. Commun.","2017","","","","","10.1039/C7CC04388K","","","1.54178","CuKα","","0.1979","0.1183","","","0.2792","0.3534","","","","","","0.999","","","","has coordinates,has disorder","211691","2020-10-21","18:00:00",""
"7120343","14.6424","0.0008","15.0149","0.0008","15.2824","0.0007","79.639","0.004","84.629","0.004","79.585","0.004","3244.2","0.3","293","2","293","2","","","","","","","","7","P -1","-P 1","2","","","","- C132 H112 Cl2 N12 O22 P2 Ti6 -","- C132 H112 Cl2 N12 O22 P2 Ti6 -","- C132 H112 Cl2 N12 O22 P2 Ti6 -","1","0.5","","Narayanam, Nagaraju; Fang, Wei-Hui; Chintakrinda, Kalpana; Zhang, Lei; Zhang, Jian","Deep Eutectic-Solvothermal Synthesis of Titanium-Oxo Clusters Protected by π-Conjugate Chromophores","Chem. Commun.","2017","","","","","10.1039/C7CC04388K","","","1.54178","CuKα","","0.1205","0.1028","","","0.2938","0.321","","","","","","1.32","","","","has coordinates","198146","2020-10-21","18:00:00",""
"7120344","14.8885","0.0004","15.2403","0.0004","15.9842","0.0003","93.508","0.002","101.316","0.002","103.043","0.002","3443.46","0.15","293","2","293","2","","","","","","","","7","P -1","-P 1","2","","","","- C150 H114 Cl2 N12 O24 P2 Ti6 -","- C150 H114 Cl2 N12 O24 P2 Ti6 -","- C150 H114 Cl2 N12 O24 P2 Ti6 -","1","0.5","","Narayanam, Nagaraju; Fang, Wei-Hui; Chintakrinda, Kalpana; Zhang, Lei; Zhang, Jian","Deep Eutectic-Solvothermal Synthesis of Titanium-Oxo Clusters Protected by π-Conjugate Chromophores","Chem. Commun.","2017","","","","","10.1039/C7CC04388K","","","1.54178","CuKα","","0.1135","0.1029","","","0.3126","0.3403","","","","","","1.499","","","","has coordinates,has disorder","198146","2020-10-21","18:00:00",""
"7120345","43.438","0.004","19.8705","0.0006","40.975","0.003","90","","112.402","0.008","90","","32698","4","293","2","293","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C326 H178 Cl8 N28 O74 Ti28 -","- C323 H186 Cl4 N28 O74 Ti28 -","- C1292 H744 Cl16 N112 O296 Ti112 -","4","0.5","","Narayanam, Nagaraju; Fang, Wei-Hui; Chintakrinda, Kalpana; Zhang, Lei; Zhang, Jian","Deep Eutectic-Solvothermal Synthesis of Titanium-Oxo Clusters Protected by π-Conjugate Chromophores","Chem. Commun.","2017","","","","","10.1039/C7CC04388K","","","1.54178","CuKα","","0.1435","0.0797","","","0.217","0.2829","","","","","","0.966","","","","has coordinates,has disorder","198146","2020-10-21","18:00:00",""
"7120346","9.131","0.002","11.42","0.002","9.833","0.002","90","","107.26","0.03","90","","979.2","0.4","100","2","100","2","","","","","","","","5","P 1 n 1","P -2yac","7","","","","- C25 H21 N O2 S -","- C25 H21 N O2 S -","- C50 H42 N2 O4 S2 -","2","1","","Kaicharla, Trinadh; Jacob, Anu; Gonnade, Rajesh G.; Biju, Akkattu","AgOTf-Catalyzed dehydrative [3+2] annulation of aziridines with 2-naphthols","Chem. Commun.","2017","","","","","10.1039/C7CC03425C","","","0.71073","MoKα","","0.0275","0.0275","","","0.074","0.074","","","","","","1.041","","","","has coordinates","198180","2020-10-21","18:00:00",""
"7120347","16.3993","0.0004","17.3042","0.0003","24.3278","0.001","85.324","0.002","78.917","0.003","89.496","0.002","6752.2","0.4","100","2","100","2","","","","","","","","6","P 1","P 1","1","","","","- C211 H200 Cd5 N22 Ni2 O31 -","- C188 H138 Cd5 N16 Ni2 O20 -","- C188 H138 Cd5 N16 Ni2 O20 -","1","1","","Jiang, Huanfeng; Li, Jiawei; Ren, Yanwei; Qi, Chaorong","The first porphyrin-salen based chiral metal-organic framework for asymmetric cyanosilylation of aldehydes","Chem. Commun.","2017","","","","","10.1039/C7CC03499G","","","1.54178","CuKα","","0.1289","0.1026","","","0.2682","0.2951","","","","","","1.119","","","","has coordinates","198181","2020-10-21","18:00:00",""
"7120348","9.2337","0.0017","28.914","0.005","16.672","0.003","90","","102.31","0.003","90","","4348.8","1.3","173","2","173","2","","","","","","","","8","C 1 c 1","C -2yc","9","","","","- C42 H48 Cl2 F6 Ir N6 O0 P -","- C42 H48 Cl2 F6 Ir N6 P -","- C168 H192 Cl8 F24 Ir4 N24 P4 -","4","1","","Li, Yanjun; Lei, Meng; Yuan, Wei; Meggers, E.; Gong, Lei","An N-Heterocyclic Carbene Iridium Catalyst with Metal-Centered Chirality for Enantioselective Transfer Hydrogenation of Imines","Chem. Commun.","2017","","","","","10.1039/C7CC04691J","","","0.71073","MoKα","","0.0364","0.0346","","","0.091","0.092","","","","","","1.002","","","","has coordinates","198183","2020-10-21","18:00:00",""
"7120349","7.2799","0.0007","11.4069","0.0011","16.0415","0.0016","90","","90","","90","","1332.1","0.2","100","2","100","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C14 H26 O2 -","- C14 H26 O2 -","- C56 H104 O8 -","4","1","","López-Pérez, Borja; Maestro, Miguel A.; Mouriño, Antonio","Total Synthesis of 1α,25-Dihydroxyvitamin D3 (Calcitriol) Through a Si-Assisted Allylic Substitution","Chem. Commun.","2017","","","","","10.1039/C7CC04690A","","","0.71073","MoKα","","0.0643","0.051","","","0.1403","0.1487","","","","","","1.053","","","","has coordinates","198220","2020-10-21","18:00:00",""
"7120350","7.4726","0.0004","13.7659","0.0008","15.3749","0.0009","90","","90","","90","","1581.57","0.16","100","2","100","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C17 H22 O4 S -","- C17 H22 O4 S -","- C68 H88 O16 S4 -","4","1","","López-Pérez, Borja; Maestro, Miguel A.; Mouriño, Antonio","Total Synthesis of 1α,25-Dihydroxyvitamin D3 (Calcitriol) Through a Si-Assisted Allylic Substitution","Chem. Commun.","2017","","","","","10.1039/C7CC04690A","","","0.71073","MoKα","","0.0274","0.025","","","0.0674","0.0688","","","","","","1.012","","","","has coordinates","198632","2020-10-21","18:00:00",""
"7120351","8.7702","0.0004","14.3952","0.0009","16.7553","0.0006","100.353","0.004","99.43","0.003","99.857","0.004","2008.42","0.18","110","2","110","2","","","","","","","","6","P -1","-P 1","2","","","","- C41 H50 Cl2 N6 O3 Ru -","- C41 H50 Cl2 N6 O3 Ru -","- C82 H100 Cl4 N12 O6 Ru2 -","2","1","","Siewert, Bianka; Langerman, Michiel; Hontani, Yusaku; Kennis, John T.M.; van Rixel, Vincent H. S.; Limburg, Bart; Siegler, Maxime A.; Saez Talens, Victorio; Kieltyka, Roxanne E. E.; Bonnet, Sylvestre","Turning on the red phosphorescence of a [Ru(tpy)(bpy)(Cl)]Cl complex by amide substitution: self-aggregation, toxicity, and localization of an emissive ruthenium-based amphiphile","Chem. Commun.","2017","","","","","10.1039/C7CC02989F","","","1.54178","CuKα","","0.053","0.0405","","","0.0973","0.1051","","","","","","1.028","","","","has coordinates,has disorder","198221","2020-10-21","18:00:00",""
"7120352","18.502","0.0012","24.5206","0.0013","26.9051","0.0017","90","","107.644","0.002","90","","11632.1","1.2","200","2","200","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C175.88 H98 B Fe6 N6 O -","- C157.5 H73 B Fe6 N6 O -","- C630 H292 B4 Fe24 N24 O4 -","4","1","","Fernandez Ariza, Javier; Krick Calderon, Rafael M.; Perles, Josefina; Rodriguez Morgade, Maria Salome; Guldi, Dirk M.; Torres, Tomás","Tri- and Hexaferrocenyl- Substituted Subphthalocyanines in Quest for the Optimum Electron Donor-Acceptor Distance","Chem. Commun.","2017","","","","","10.1039/C7CC04726F","","","0.71073","MoKα","","0.1981","0.1581","","","0.465","0.5416","","","","","","1.035","","","","has coordinates","198269","2020-10-21","18:00:00",""
"7120353","7.6645","0.0015","13.511","0.003","8.2107","0.0016","90","","98.474","0.004","90","","841","0.3","293","2","293","2","","","","","","","3,4,5-trimethoxyphenol","4","P 1 21 1","P 2yb","4","(S)-3fa","(S)-4-(1-(4-bromophenyl)prop-2-yn-1-yl)-3,4,5-trimethoxycyclohexa-2,5-dienone","","- C18 H17 Br O4 -","- C18 H17 Br O4 -","- C36 H34 Br2 O8 -","2","1","","Shao, Long; Hu, Xiang-Ping","Copper-catalyzed intermolecular asymmetric propargylic dearomatization of phenol derivatives","Chem. Commun.","2017","","","","","10.1039/C7CC03034G","","","0.71073","MoKα","","0.0453","0.0365","","","0.077","0.0799","","","","","","0.985","","","","has coordinates","198270","2020-10-21","18:00:00",""
"7120354","8.9975","0.0008","15.9489","0.0015","9.1643","0.0009","90","","105","0.002","90","","1270.3","0.2","296","2","296","2","","","","","","","","6","P 1","P 1","1","","","","- C8 H15 B N5 Na O2 -","- C8 H14.75 B N5 Na O2 -","- C32 H59 B4 N20 Na4 O8 -","4","4","","Chen, Fuxue; Li, Xingye; Nie, Fude; Huo, Hongyu; Li, Haibo; Yin, Hongquan","Cyanotetrazolylborohydride (CTB) anion-based ionic liquids with low viscosity and high energy capacity as ultrafast-igniting hypergolic fuels","Chem. Commun.","2017","","","","","10.1039/C7CC03766J","","","0.71073","MoKα","","0.0806","0.0706","","","0.1994","0.2138","","","","","","1.14","","","","has coordinates","287753","2023-11-23","09:34:45",""
"7120355","8.006","0.002","16.07","0.005","19.305","0.005","99.05","0.015","94.685","0.017","90.749","0.017","2443.8","1.2","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","","","- C18 H21 N O4 S -","- C18 H21 N O4 S -","- C108 H126 N6 O24 S6 -","6","3","","Yin, Xianglin; Mohammad, Haroon; Eldesouky, Hassan E.; Abdelkhalek, Ahmed; Seleem, Mohamed N.; Dai, Mingji","Rapid synthesis of bicyclic lactones via palladium-catalyzed aminocarbonylative lactonizations.","Chemical communications (Cambridge, England)","2017","53","53","7238","7241","10.1039/c7cc02494k","","","0.71073","MoKα","","0.0636","0.0499","","","0.1216","0.1279","","","","","","1.095","","","","has coordinates","198272","2020-10-21","18:00:00",""
"7120356","11.2917","0.0004","14.5436","0.0005","12.4181","0.0005","90","","108.78","0.0016","90","","1930.76","0.12","100","2","100","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C22 H23 N O4 S -","- C22 H23 N O4 S -","- C88 H92 N4 O16 S4 -","4","1","","Yin, Xianglin; Mohammad, Haroon; Eldesouky, Hassan E.; Abdelkhalek, Ahmed; Seleem, Mohamed N.; Dai, Mingji","Rapid synthesis of bicyclic lactones via palladium-catalyzed aminocarbonylative lactonizations.","Chemical communications (Cambridge, England)","2017","53","53","7238","7241","10.1039/c7cc02494k","","","0.71073","MoKα","","0.0478","0.0375","","","0.0964","0.1036","","","","","","1.062","","","","has coordinates","198272","2020-10-21","18:00:00",""
"7120357","26.055","0.003","26.055","0.003","14.824","0.0013","90","","90","","120","","8715.2","1.6","360","2","360.01","","","","","","","","","5","R -3","-R 3","148","","","","- C108 H84 Fe3 N42 S6 -","- C108 H84 Fe3 N42 S6 -","- C324 H252 Fe9 N126 S18 -","3","","","Pittala, Narsimhulu; Thétiot, Franck; Charles, Catherine; Triki, Smail; Boukheddaden, Kamel; Chastanet, Guillaume; Marchivie, Mathieu","Unprecedented trinuclear FeII triazole-based complex exhibiting a concerted and complete sharp spin transition above room temperature","Chem. Commun.","2017","","","","","10.1039/C7CC04112H","","","0.71073","MoKα","","0.1214","0.0554","","","0.0957","0.1128","","","","","","1.006","","","","has coordinates","198293","2020-10-21","18:00:00",""
"7120358","25.68","0.004","25.68","0.004","14.745","0.003","90","","90","","120","","8421","3","315","2","315.11","","","","","","","","","5","R -3","-R 3","148","","","","- C108 H84 Fe3 N42 S6 -","- C108 H84 Fe3 N42 S6 -","- C324 H252 Fe9 N126 S18 -","3","","","Pittala, Narsimhulu; Thétiot, Franck; Charles, Catherine; Triki, Smail; Boukheddaden, Kamel; Chastanet, Guillaume; Marchivie, Mathieu","Unprecedented trinuclear FeII triazole-based complex exhibiting a concerted and complete sharp spin transition above room temperature","Chem. Commun.","2017","","","","","10.1039/C7CC04112H","","","0.71073","MoKα","","0.2475","0.0584","","","0.1255","0.1962","","","","","","0.914","","","","has coordinates","198293","2020-10-21","18:00:00",""
"7120359","25.963","0.005","25.963","0.005","14.808","0.003","90","","90","","120","","8644","3","330","2","330.1","","","","","","","","","5","R -3","-R 3","148","","","","- C108 H84 Fe3 N42 S6 -","- C108 H84 Fe3 N42 S6 -","- C324 H252 Fe9 N126 S18 -","3","","","Pittala, Narsimhulu; Thétiot, Franck; Charles, Catherine; Triki, Smail; Boukheddaden, Kamel; Chastanet, Guillaume; Marchivie, Mathieu","Unprecedented trinuclear FeII triazole-based complex exhibiting a concerted and complete sharp spin transition above room temperature","Chem. Commun.","2017","","","","","10.1039/C7CC04112H","","","0.71073","MoKα","","0.2593","0.0569","","","0.1189","0.1888","","","","","","0.941","","","","has coordinates","198293","2020-10-21","18:00:00",""
"7120360","25.585","0.004","25.585","0.004","14.734","0.003","90","","90","","120","","8353","3","310","2","310.09","","","","","","","","","5","R -3","-R 3","148","","","","- C108 H84 Fe3 N42 S6 -","- C108 H84 Fe3 N42 S6 -","- C324 H252 Fe9 N126 S18 -","3","","","Pittala, Narsimhulu; Thétiot, Franck; Charles, Catherine; Triki, Smail; Boukheddaden, Kamel; Chastanet, Guillaume; Marchivie, Mathieu","Unprecedented trinuclear FeII triazole-based complex exhibiting a concerted and complete sharp spin transition above room temperature","Chem. Commun.","2017","","","","","10.1039/C7CC04112H","","","0.71073","MoKα","","0.2453","0.058","","","0.1262","0.2007","","","","","","0.927","","","","has coordinates","198293","2020-10-21","18:00:00",""
"7120361","25.473","0.004","25.473","0.004","14.735","0.002","90","","90","","120","","8280","2","279.16","","279.16","","","","","","","","","5","R -3","-R 3","148","","","","- C108 H84 Fe3 N42 S6 -","- C108 H84 Fe3 N42 S6 -","- C324 H252 Fe9 N126 S18 -","3","","","Pittala, Narsimhulu; Thétiot, Franck; Charles, Catherine; Triki, Smail; Boukheddaden, Kamel; Chastanet, Guillaume; Marchivie, Mathieu","Unprecedented trinuclear FeII triazole-based complex exhibiting a concerted and complete sharp spin transition above room temperature","Chem. Commun.","2017","","","","","10.1039/C7CC04112H","","","0.71073","MoKα","","0.2325","0.058","","","0.1255","0.1958","","","","","","0.932","","","","has coordinates","198293","2020-10-21","18:00:00",""
"7120362","25.514","0.004","25.514","0.004","14.737","0.003","90","","90","","120","","8308","3","295","2","295.12","","","","","","","","","5","R -3","-R 3","148","","","","- C108 H84 Fe3 N42 S6 -","- C108 H84 Fe3 N42 S6 -","- C324 H252 Fe9 N126 S18 -","3","","","Pittala, Narsimhulu; Thétiot, Franck; Charles, Catherine; Triki, Smail; Boukheddaden, Kamel; Chastanet, Guillaume; Marchivie, Mathieu","Unprecedented trinuclear FeII triazole-based complex exhibiting a concerted and complete sharp spin transition above room temperature","Chem. Commun.","2017","","","","","10.1039/C7CC04112H","","","0.71073","MoKα","","0.2422","0.0587","","","0.1247","0.1967","","","","","","0.925","","","","has coordinates","198293","2020-10-21","18:00:00",""
"7120363","25.999","0.005","25.999","0.005","14.815","0.003","90","","90","","120","","8673","3","340","2","340.13","","","","","","","","","5","R -3","-R 3","148","","","","- C108 H84 Fe3 N42 S6 -","- C108 H84 Fe3 N42 S6 -","- C324 H252 Fe9 N126 S18 -","3","","","Pittala, Narsimhulu; Thétiot, Franck; Charles, Catherine; Triki, Smail; Boukheddaden, Kamel; Chastanet, Guillaume; Marchivie, Mathieu","Unprecedented trinuclear FeII triazole-based complex exhibiting a concerted and complete sharp spin transition above room temperature","Chem. Commun.","2017","","","","","10.1039/C7CC04112H","","","0.71073","MoKα","","0.2574","0.055","","","0.1092","0.1742","","","","","","0.912","","","","has coordinates","198293","2020-10-21","18:00:00",""
"7120364","25.94","0.004","25.94","0.004","14.801","0.003","90","","90","","120","","8625","3","325","2","325.11","","","","","","","","","5","R -3","-R 3","148","","","","- C108 H84 Fe3 N42 S6 -","- C108 H84 Fe3 N42 S6 -","- C324 H252 Fe9 N126 S18 -","3","","","Pittala, Narsimhulu; Thétiot, Franck; Charles, Catherine; Triki, Smail; Boukheddaden, Kamel; Chastanet, Guillaume; Marchivie, Mathieu","Unprecedented trinuclear FeII triazole-based complex exhibiting a concerted and complete sharp spin transition above room temperature","Chem. Commun.","2017","","","","","10.1039/C7CC04112H","","","0.71073","MoKα","","0.2518","0.0576","","","0.1237","0.1941","","","","","","0.926","","","","has coordinates","198293","2020-10-21","18:00:00",""
"7120365","25.543","0.004","25.543","0.004","14.731","0.002","90","","90","","120","","8324","2","305","2","305.11","","","","","","","","","5","R -3","-R 3","148","","","","- C108 H84 Fe3 N42 S6 -","- C108 H84 Fe3 N42 S6 -","- C324 H252 Fe9 N126 S18 -","3","","","Pittala, Narsimhulu; Thétiot, Franck; Charles, Catherine; Triki, Smail; Boukheddaden, Kamel; Chastanet, Guillaume; Marchivie, Mathieu","Unprecedented trinuclear FeII triazole-based complex exhibiting a concerted and complete sharp spin transition above room temperature","Chem. Commun.","2017","","","","","10.1039/C7CC04112H","","","0.71073","MoKα","","0.2417","0.0567","","","0.1196","0.1923","","","","","","0.931","","","","has coordinates","198293","2020-10-21","18:00:00",""
"7120366","25.5","0.004","25.5","0.004","14.736","0.002","90","","90","","120","","8298","2","290","2","290.21","","","","","","","","","5","R -3","-R 3","148","","","","- C108 H84 Fe3 N42 S6 -","- C108 H84 Fe3 N42 S6 -","- C324 H252 Fe9 N126 S18 -","3","","","Pittala, Narsimhulu; Thétiot, Franck; Charles, Catherine; Triki, Smail; Boukheddaden, Kamel; Chastanet, Guillaume; Marchivie, Mathieu","Unprecedented trinuclear FeII triazole-based complex exhibiting a concerted and complete sharp spin transition above room temperature","Chem. Commun.","2017","","","","","10.1039/C7CC04112H","","","0.71073","MoKα","","0.2371","0.0591","","","0.1298","0.2034","","","","","","0.935","","","","has coordinates","198293","2020-10-21","18:00:00",""
"7120367","25.3984","0.0013","25.3984","0.0013","14.7341","0.0013","90","","90","","120","","8231.3","0.9","250","","250","","","","","","","","","5","R -3","-R 3","148","","NP53E3","","- C108 H84 Fe3 N42 S6 -","- C108 H84 Fe3 N42 S6 -","- C324 H252 Fe9 N126 S18 -","3","","","Pittala, Narsimhulu; Thétiot, Franck; Charles, Catherine; Triki, Smail; Boukheddaden, Kamel; Chastanet, Guillaume; Marchivie, Mathieu","Unprecedented trinuclear FeII triazole-based complex exhibiting a concerted and complete sharp spin transition above room temperature","Chem. Commun.","2017","","","","","10.1039/C7CC04112H","","","0.71073","MoKα","","0.0455","0.0336","","","0.0821","0.0853","","","","","","1.039","","","","has coordinates","198293","2020-10-21","18:00:00",""
"7120368","26.01","0.005","26.01","0.005","14.817","0.003","90","","90","","120","","8681","3","345","2","345.13","","","","","","","","","5","R -3","-R 3","148","","","","- C108 H84 Fe3 N42 S6 -","- C108 H84 Fe3 N42 S6 -","- C324 H252 Fe9 N126 S18 -","3","","","Pittala, Narsimhulu; Thétiot, Franck; Charles, Catherine; Triki, Smail; Boukheddaden, Kamel; Chastanet, Guillaume; Marchivie, Mathieu","Unprecedented trinuclear FeII triazole-based complex exhibiting a concerted and complete sharp spin transition above room temperature","Chem. Commun.","2017","","","","","10.1039/C7CC04112H","","","0.71073","MoKα","","0.262","0.0538","","","0.1051","0.1683","","","","","","0.928","","","","has coordinates","198293","2020-10-21","18:00:00",""
"7120369","25.9","0.004","25.9","0.004","14.79","0.002","90","","90","","120","","8592","2","320","2","320.12","","","","","","","","","5","R -3","-R 3","148","","","","- C108 H84 Fe3 N42 S6 -","- C108 H84 Fe3 N42 S6 -","- C324 H252 Fe9 N126 S18 -","3","","","Pittala, Narsimhulu; Thétiot, Franck; Charles, Catherine; Triki, Smail; Boukheddaden, Kamel; Chastanet, Guillaume; Marchivie, Mathieu","Unprecedented trinuclear FeII triazole-based complex exhibiting a concerted and complete sharp spin transition above room temperature","Chem. Commun.","2017","","","","","10.1039/C7CC04112H","","","0.71073","MoKα","","0.2514","0.0612","","","0.1299","0.1988","","","","","","0.93","","","","has coordinates","198293","2020-10-21","18:00:00",""
"7120370","25.525","0.004","25.525","0.004","14.733","0.002","90","","90","","120","","8313","2","300","2","300.11","","","","","","","","","5","R -3","-R 3","148","","","","- C108 H84 Fe3 N42 S6 -","- C108 H84 Fe3 N42 S6 -","- C324 H252 Fe9 N126 S18 -","3","","","Pittala, Narsimhulu; Thétiot, Franck; Charles, Catherine; Triki, Smail; Boukheddaden, Kamel; Chastanet, Guillaume; Marchivie, Mathieu","Unprecedented trinuclear FeII triazole-based complex exhibiting a concerted and complete sharp spin transition above room temperature","Chem. Commun.","2017","","","","","10.1039/C7CC04112H","","","0.71073","MoKα","","0.2427","0.0561","","","0.1126","0.1772","","","","","","0.939","","","","has coordinates","198293","2020-10-21","18:00:00",""
"7120371","25.986","0.005","25.986","0.005","14.814","0.003","90","","90","","120","","8663","3","335","2","335.12","","","","","","","","","5","R -3","-R 3","148","","","","- C108 H84 Fe3 N42 S6 -","- C108 H84 Fe3 N42 S6 -","- C324 H252 Fe9 N126 S18 -","3","","","Pittala, Narsimhulu; Thétiot, Franck; Charles, Catherine; Triki, Smail; Boukheddaden, Kamel; Chastanet, Guillaume; Marchivie, Mathieu","Unprecedented trinuclear FeII triazole-based complex exhibiting a concerted and complete sharp spin transition above room temperature","Chem. Commun.","2017","","","","","10.1039/C7CC04112H","","","0.71073","MoKα","","0.2665","0.0584","","","0.1205","0.1916","","","","","","0.936","","","","has coordinates","198293","2020-10-21","18:00:00",""
"7120372","8.1995","0.0004","15.8435","0.0009","19.7549","0.0011","113.343","0.003","98.556","0.004","90.398","0.004","2323.9","0.2","296","","296","","","","","","","","","6","P -1","-P 1","2","","","","- C28 H21 Br N2 O S -","- C28 H21 Br N2 O S -","- C112 H84 Br4 N8 O4 S4 -","4","2","","Wang, Xie; Xie, peipei; Qiu, Renhua; Zhu, Longzhi; Liu, Ting; Li, You; Iwasaki, Takanori; Au, Chak-tong; Xu, Xinhua; Xia, Yuanzhi; Yin, Shuang-Feng; Kambe, Nobuaki","Nickel-Catalyzed Direct Alkylation of Thiophenes via Double C(sp3)-H/C(sp2)-H Bond Cleavage: The Importance of KH2PO4","Chem. Commun.","2017","","","","","10.1039/C7CC04252C","","","1.54178","CuKα","","0.1132","0.0491","","","0.1193","0.1494","","","","","","1.018","","","","has coordinates","198294","2020-10-21","18:00:00",""
"7120373","3.905","0.005","12.317","0.005","13.486","0.005","74.773","0.005","83.574","0.005","81.477","0.005","617.2","0.9","293","2","293","2","","","","","","","","4","P -1","-P 1","2","","2-anilino-3-cyanobenzo[b]thiophene","","- C15 H10 N2 S -","- C15 H10 N2 S -","- C30 H20 N4 S2 -","2","1","","Janni, Manojkumar; Thriupathi, Annaram; Arora, Sahil; Peruncheralathan, Saravanan","Chemoselective Ullmann Coupling at Room Temperature: A Facile Access to 2-Aminobenzo[b]thiophenes","Chem. Commun.","2017","","","","","10.1039/C7CC03273K","","","0.71073","MoKα","","0.0923","0.0448","","","0.1007","0.1369","","","","","","1.072","","","","has coordinates","198349","2020-10-21","18:00:00",""
"7120374","13.897","0.0006","9.2923","0.0003","16.3213","0.0007","90","","110.26","0.003","90","","1977.25","0.14","296","2","296.15","","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","2-(isopropyl-amino)-3-(2-bromo-4,5-demethoxybenzoyl)-benzo[b]thiophene","","- C20 H20 Br N O3 S -","- C20 H20 Br N O3 S -","- C80 H80 Br4 N4 O12 S4 -","4","1","","Janni, Manojkumar; Thriupathi, Annaram; Arora, Sahil; Peruncheralathan, Saravanan","Chemoselective Ullmann Coupling at Room Temperature: A Facile Access to 2-Aminobenzo[b]thiophenes","Chem. Commun.","2017","","","","","10.1039/C7CC03273K","","","0.71073","MoKα","","0.0774","0.0404","","","0.0917","0.1048","","","","","","1.023","","","","has coordinates","198349","2020-10-21","18:00:00",""
"7120375","6.1639","0.0018","7.449","0.003","21.411","0.006","90","","90","","90","","983.1","0.6","113","2","113","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C12 H10 N2 O2 -","- C12 H10 N2 O2 -","- C48 H40 N8 O8 -","4","1","","Yang, Zhao-Ying; Tian, Tian; Du, Ya-Fei; Li, Shi-Yi; Chu, Cen-Cen; Chen, Lu-Ying; Li, Dan; Liu, Jia-Yi; Wang, Bin","Direct intramolecular amination of tryptophan esters to prepare pyrrolo[2,3-b]indoles","Chem. Commun.","2017","","","","","10.1039/C7CC03983B","","","0.71073","MoKα","","0.0402","0.0385","","","0.0977","0.0992","","","","","","1.082","","","","has coordinates","198350","2020-10-21","18:00:00",""
"7120376","17.1277","0.0016","9.9821","0.0009","10.6929","0.0009","90","","96.349","0.002","90","","1817","0.3","100","2","100","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","6-acetyl-4,7-dimethyl-5-[3-(morpholin-4-yl)propoxycoumarin","","- C20 H25 N O5 -","- C20 H25 N O5 -","- C80 H100 N4 O20 -","4","1","","Ostrowska, Kinga; Grzeszczuk, David; Głuch-Lutwin, Monika; Gryboś, Anna; Siwek, Agata; Dobrzycki, Lukasz; Trzaskowski, Bartosz","Development of selective agents targeting serotonin 5HT1A receptors with subnanomolar activities based on a coumarin core","Med. Chem. Commun.","2017","","","","","10.1039/C7MD00281E","","","0.71073","MoKα","","0.0553","0.044","","","0.1122","0.1238","","","","","","1.065","","","","has coordinates,has disorder","198356","2020-10-21","18:00:00",""
"7120377","7.7995","0.0006","9.8117","0.0008","14.8527","0.0012","78.625","0.0019","82.405","0.0018","69.9762","0.0018","1044.36","0.14","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","4,7-dimethyl-5-{3-[4-(2-fluorophenyl)piperazin-1-yl]propoxy}coumarin","","- C24 H27 F N2 O3 -","- C24 H27 F N2 O3 -","- C48 H54 F2 N4 O6 -","2","1","","Ostrowska, Kinga; Grzeszczuk, David; Głuch-Lutwin, Monika; Gryboś, Anna; Siwek, Agata; Dobrzycki, Lukasz; Trzaskowski, Bartosz","Development of selective agents targeting serotonin 5HT1A receptors with subnanomolar activities based on a coumarin core","Med. Chem. Commun.","2017","","","","","10.1039/C7MD00281E","","","0.71073","MoKα","","0.0377","0.0332","","","0.0859","0.0899","","","","","","1.042","","","","has coordinates","198356","2020-10-21","18:00:00",""
"7120378","11.2381","0.0007","14.8266","0.0009","16.8813","0.001","97.744","0.001","98.334","0.001","101.058","0.001","2692.9","0.3","100","","100","","","","","","","","","8","P 1","P 1","1","","","","- C67.5 H51 B F4 N2 O1.5 P2 Pt -","- C67.5 H51 B F4 N2 O1.5 P2 Pt -","- C135 H102 B2 F8 N4 O3 P4 Pt2 -","2","2","","Zhong, Jian-Ji; Yang, Chen; Chang, Xiao-Yong; Zou, Chao; Lu, Wei; Che, Chi-Ming","Platinum(ii) photo-catalysis for highly selective difluoroalkylation reactions","Chem. Commun.","2017","","","","","10.1039/C7CC03823B","","","1.54178","CuKα","","0.0248","0.0248","","","0.061","0.061","","","","","","1.051","","","","has coordinates","203412","2020-10-21","18:00:00",""
"7120379","18.8766","0.0007","7.326","0.0003","13.6863","0.0005","90","","90","","90","","1892.68","0.13","100","","100","","","","","","","","","6","P n n m","-P 2 2n","58","","","","- C38 H38 Cl2 Dy2 N2 O -","- C38 H38 Cl2 Dy2 N2 O -","- C76 H76 Cl4 Dy4 N4 O2 -","2","0.25","","Burns, Corey P.; Wilkins, Branford O.; Dickie, Courtney M.; Latendresse, Trevor; Vernier, Larry; Vignesh, Kuduva R.; Bhuvanesh, Nattamai; Nippe, Michael","Comparative Study of Magnetization Dynamics in Dinuclear Dysprosium Complexes Featuring Bridging Chloride or Trifluoromethanesulfonate Ligands","Chem. Commun.","2017","","","","","10.1039/C7CC02457F","","","1.54178","CuKα","","0.082","0.0687","","","0.146","0.1553","","","","","","1.336","","","","has coordinates,has disorder","198444","2020-10-21","18:00:00",""
"7120380","14.8761","0.0012","7.159","0.0007","16.6636","0.0015","90","","92.235","0.004","90","","1773.3","0.3","110","","110","","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C35.76 H33.53 Cl5.53 Dy2 N2 -","- C35.764 H33.528 Cl5.528 Dy2 N2 -","- C71.528 H67.056 Cl11.056 Dy4 N4 -","2","0.5","","Burns, Corey P.; Wilkins, Branford O.; Dickie, Courtney M.; Latendresse, Trevor; Vernier, Larry; Vignesh, Kuduva R.; Bhuvanesh, Nattamai; Nippe, Michael","Comparative Study of Magnetization Dynamics in Dinuclear Dysprosium Complexes Featuring Bridging Chloride or Trifluoromethanesulfonate Ligands","Chem. Commun.","2017","","","","","10.1039/C7CC02457F","","","1.54178","CuKα","","0.0831","0.0678","","","0.1748","0.1845","","","","","","1.038","","","","has coordinates","198444","2020-10-21","18:00:00",""
"7120381","8.2141","0.0003","11.0008","0.0004","12.1504","0.0005","82.426","0.002","78.374","0.002","88.147","0.002","1066","0.07","110","","110","","","","","","","","","7","P -1","-P 1","2","","","","- C22 H23 Dy F3 N O4 S -","- C22 H23 Dy F3 N O4 S -","- C44 H46 Dy2 F6 N2 O8 S2 -","2","1","","Burns, Corey P.; Wilkins, Branford O.; Dickie, Courtney M.; Latendresse, Trevor; Vernier, Larry; Vignesh, Kuduva R.; Bhuvanesh, Nattamai; Nippe, Michael","Comparative Study of Magnetization Dynamics in Dinuclear Dysprosium Complexes Featuring Bridging Chloride or Trifluoromethanesulfonate Ligands","Chem. Commun.","2017","","","","","10.1039/C7CC02457F","","","0.71073","MoKα","","0.017","0.0149","","","0.0362","0.0374","","","","","","1.114","","","","has coordinates","198444","2020-10-21","18:00:00",""
"7120382","12.259","0.0008","13.0284","0.0009","13.7514","0.001","92.254","0.004","90.145","0.004","107.14","0.004","2096.9","0.3","110","","110","","","","","","","","","8","P -1","-P 1","2","","","","- C38 H34 Cl4 Dy2 F6 N2 O6 S2 -","- C38 H34 Cl4 Dy2 F6 N2 O6 S2 -","- C76 H68 Cl8 Dy4 F12 N4 O12 S4 -","2","1","","Burns, Corey P.; Wilkins, Branford O.; Dickie, Courtney M.; Latendresse, Trevor; Vernier, Larry; Vignesh, Kuduva R.; Bhuvanesh, Nattamai; Nippe, Michael","Comparative Study of Magnetization Dynamics in Dinuclear Dysprosium Complexes Featuring Bridging Chloride or Trifluoromethanesulfonate Ligands","Chem. Commun.","2017","","","","","10.1039/C7CC02457F","","","0.71073","MoKα","","0.0773","0.0619","","","0.156","0.169","","","","","","1.081","","","","has coordinates","198444","2020-10-21","18:00:00",""
"7120383","31.822","0.0013","31.7269","0.0013","24.9385","0.0011","90","","109.253","0.003","90","","23770.1","1.8","150","2","150","2","","","","","","","","9","C 1 2/m 1","-C 2y","12","","","","- C48 H288 I4 K16 Mo56 N4 O264 S48 Se8 -","- C48 I4 K14.8 Mo56 N4 O249.8 S48 Se8 -","- C96 I8 K29.6 Mo112 N8 O499.6 S96 Se16 -","2","0.25","","Cronin, Lee; Zang, Hong-Ying; Purcell, Jamie; Long, Deliang; Miras, Haralampos N.","Exploring Structural Complexity in the Discovery and Self-Assembly of a Family of Nanoscale Chalcoxides from {Se8Mo36} to {Se26Mo68}","Chem. Commun.","2017","","","","","10.1039/C7CC04398H","","","0.71073","MoKα","","0.1482","0.0778","","","0.2086","0.2741","","","","","","1.07","","","","has coordinates,has disorder","198494","2020-10-21","18:00:00",""
"7120384","20.5753","0.0011","21.4339","0.0013","27.9022","0.0016","107.72","0.003","101.595","0.003","105.798","0.003","10724.1","1.1","150","2","150","2","","","","","","","","8","P -1","-P 1","2","","","","- C48 H192 K28 Mo56 N4 O236 S56 Se20 -","- C46.8 K18.3 Mo56 N4 O231.7 S56 Se20 -","- C46.8 K18.3 Mo56 N4 O231.7 S56 Se20 -","1","0.5","","Cronin, Lee; Zang, Hong-Ying; Purcell, Jamie; Long, Deliang; Miras, Haralampos N.","Exploring Structural Complexity in the Discovery and Self-Assembly of a Family of Nanoscale Chalcoxides from {Se8Mo36} to {Se26Mo68}","Chem. Commun.","2017","","","","","10.1039/C7CC04398H","","","0.71073","MoKα","","0.1795","0.0976","","","0.2635","0.328","","","","","","1.032","","","","has coordinates,has disorder","198494","2020-10-21","18:00:00",""
"7120385","20.3775","0.0007","21.0899","0.0007","30.3195","0.0012","102.22","0.002","100.029","0.002","95.818","0.002","12410.2","0.8","293","2","293","2","","","","","","","","9","P -1","-P 1","2","","","","- C48 H276 K30 Mo68 N4 Na2 O310 S68 Se26 -","- C38.4 K27 Mo68 N1.6 Na2 O309.5 S68 Se26 -","- C38.4 K27 Mo68 N1.6 Na2 O309.5 S68 Se26 -","1","0.5","","Cronin, Lee; Zang, Hong-Ying; Purcell, Jamie; Long, Deliang; Miras, Haralampos N.","Exploring Structural Complexity in the Discovery and Self-Assembly of a Family of Nanoscale Chalcoxides from {Se8Mo36} to {Se26Mo68}","Chem. Commun.","2017","","","","","10.1039/C7CC04398H","","","0.71073","MoKα","","0.1331","0.066","","","0.164","0.2122","","","","","","1.029","","","","has coordinates,has disorder","198494","2020-10-21","18:00:00",""
"7120386","23.8487","0.0009","37.2576","0.0013","37.8116","0.0015","71.584","0.002","87.821","0.002","77.766","0.002","31138","2","150","2","150","2","","","","","","","","8","P -1","-P 1","2","","","","- C32 H235 K11 Mo40 N2 O212 S36 Se8 -","- C29.6 K9.7 Mo40 N1.4 O196.3 S36 Se8 -","- C118.4 K38.8 Mo160 N5.6 O785.2 S144 Se32 -","4","2","","Cronin, Lee; Zang, Hong-Ying; Purcell, Jamie; Long, Deliang; Miras, Haralampos N.","Exploring Structural Complexity in the Discovery and Self-Assembly of a Family of Nanoscale Chalcoxides from {Se8Mo36} to {Se26Mo68}","Chem. Commun.","2017","","","","","10.1039/C7CC04398H","","","0.71073","MoKα","","0.21","0.0926","","","0.2203","0.3021","","","","","","1.024","","","","has coordinates,has disorder","198494","2020-10-21","18:00:00",""
"7120387","28.4084","0.001","28.8017","0.001","33.5254","0.0012","90","","90.683","0.002","90","","27428.9","1.7","150","2","150","2","","","","","","","","8","P 1 21/n 1","-P 2yn","14","","","","- C44 H240 K15 Mo36 N5 O194 S32 Se8 -","- C39.5 K14.2 Mo36 N4 O184.25 S32 Se8 -","- C158 K56.8 Mo144 N16 O737 S128 Se32 -","4","1","","Cronin, Lee; Zang, Hong-Ying; Purcell, Jamie; Long, Deliang; Miras, Haralampos N.","Exploring Structural Complexity in the Discovery and Self-Assembly of a Family of Nanoscale Chalcoxides from {Se8Mo36} to {Se26Mo68}","Chem. Commun.","2017","","","","","10.1039/C7CC04398H","","","0.71073","MoKα","","0.0809","0.0516","","","0.1372","0.1646","","","","","","1.057","","","","has coordinates,has disorder","198494","2020-10-21","18:00:00",""
"7120388","9.0905","0.0002","12.8885","0.0003","10.5064","0.0003","90","","106.194","0.003","90","","1182.12","0.05","293","2","293.15","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C13 H15 Br O2 -","- C13 H15 Br O2 -","- C52 H60 Br4 O8 -","4","1","","He, Chi; Bai, Zengbing; Hu, Jialei; Wang, Bingnan; Xie, Hujun; Yu, Lei; Ding, Hanfeng","A divergent [5+2] cascade approach to bicyclo[3.2.1]octanes: facile synthesis of ent-kaurene and cedrene-type skeletons","Chem. Commun.","2017","","","","","10.1039/C7CC04292B","","","1.54184","CuKα","","0.0541","0.0502","","","0.1253","0.1294","","","","","","1.098","","","","has coordinates","198495","2020-10-21","18:00:00",""
"7120389","11.4777","0.001","8.9184","0.0007","12.908","0.0009","90","","96.233","0.008","90","","1313.49","0.18","293","2","293.15","","","","","","","","","3","C 1 c 1","C -2yc","9","","","","- C15 H20 O3 -","- C15 H20 O3 -","- C60 H80 O12 -","4","1","","He, Chi; Bai, Zengbing; Hu, Jialei; Wang, Bingnan; Xie, Hujun; Yu, Lei; Ding, Hanfeng","A divergent [5+2] cascade approach to bicyclo[3.2.1]octanes: facile synthesis of ent-kaurene and cedrene-type skeletons","Chem. Commun.","2017","","","","","10.1039/C7CC04292B","","","0.71073","MoKα","","0.0419","0.0336","","","0.0712","0.0764","","","","","","1.067","","","","has coordinates","198495","2020-10-21","18:00:00",""
"7120390","6.1485","0.0005","8.59","0.0007","16.0047","0.0011","95.985","0.006","95.246","0.006","101.426","0.007","818.56","0.11","293","2","293.15","","","","","","","","","3","P -1","-P 1","2","","","","- C20 H26 O2 -","- C20 H26 O2 -","- C40 H52 O4 -","2","1","","He, Chi; Bai, Zengbing; Hu, Jialei; Wang, Bingnan; Xie, Hujun; Yu, Lei; Ding, Hanfeng","A divergent [5+2] cascade approach to bicyclo[3.2.1]octanes: facile synthesis of ent-kaurene and cedrene-type skeletons","Chem. Commun.","2017","","","","","10.1039/C7CC04292B","","","0.71073","MoKα","","0.0782","0.0504","","","0.1093","0.1298","","","","","","1.037","","","","has coordinates","198495","2020-10-21","18:00:00",""
"7120391","7.6511","0.0006","10.6171","0.0017","11.0543","0.0014","65.681","0.014","78.962","0.01","83.688","0.01","802.7","0.2","293","2","293.15","","","","","","","","","4","P -1","-P 1","2","","","","- C16 H16 F6 O3 -","- C16 H16 F6 O3 -","- C32 H32 F12 O6 -","2","1","","He, Chi; Bai, Zengbing; Hu, Jialei; Wang, Bingnan; Xie, Hujun; Yu, Lei; Ding, Hanfeng","A divergent [5+2] cascade approach to bicyclo[3.2.1]octanes: facile synthesis of ent-kaurene and cedrene-type skeletons","Chem. Commun.","2017","","","","","10.1039/C7CC04292B","","","0.71073","MoKα","","0.1039","0.0646","","","0.169","0.2103","","","","","","1.045","","","","has coordinates","198495","2020-10-21","18:00:00",""
"7120392","20.1292","0.0004","21.7528","0.0004","22.5286","0.0004","107.991","0.0018","99.9315","0.0016","108.128","0.0018","8513.8","0.3","93","2","93","2","","","","","","","","5","P -1","-P 1","2","","","","- C156 H120 Cu12 N12 O60 -","- C156 H120 Cu12 N12 O60 -","- C156 H120 Cu12 N12 O60 -","1","0.5","","Hosono, Nobuhiko; Omoto, Kenichiro; Kitagawa, Susumu","Anisotropic coordination star polymers realized by self-sorting core modulation","Chem. Commun.","2017","","","","","10.1039/C7CC04381C","","x-ray","0.71073","MoKα","","0.1149","0.0801","","","0.2499","0.273","","","","","","1.064","","","","has coordinates","198496","2020-10-21","18:00:00",""
"7120394","9.6882","0.0006","13.1119","0.0009","13.3082","0.0008","108.885","0.008","94.201","0.007","99.04","0.007","1565.7","0.2","93","2","93","2","","","","","","","","3","P -1","-P 1","2","","","","- C44 H28 N4 -","- C44 H28 N4 -","- C88 H56 N8 -","2","1","","Gon, Masayuki; Morisaki, Yasuhiro; Chujo, Yoshiki","A silver(i)-induced higher-ordered structure based on planar chiral tetrasubstituted [2.2]paracyclophane","Chem. Commun.","2017","","","","","10.1039/C7CC03615A","","","0.71075","MoKα","","0.0783","0.055","","","0.1321","0.1473","","","","","","1.039","","","","has coordinates","198558","2020-10-21","18:00:00",""
"7120395","14.8841","0.0007","14.9687","0.0007","21.4518","0.001","90","","102.663","0.007","90","","4663.1","0.4","93","2","93","2","","","","","","","","8","P 1 21/a 1","-P 2yab","14","","","","- C47 H30 Ag2 Cl2 F6 N4 O6 S2 -","- C47 H30 Ag2 Cl2 F6 N4 O6 S2 -","- C188 H120 Ag8 Cl8 F24 N16 O24 S8 -","4","1","","Gon, Masayuki; Morisaki, Yasuhiro; Chujo, Yoshiki","A silver(i)-induced higher-ordered structure based on planar chiral tetrasubstituted [2.2]paracyclophane","Chem. Commun.","2017","","","","","10.1039/C7CC03615A","","","0.71075","MoKα","","0.1674","0.0889","","","0.1291","0.1516","","","","","","1.065","","","","has coordinates","198558","2020-10-21","18:00:00",""
"7120396","15.638","0.003","16.513","0.003","18.346","0.003","83.365","0.013","68.721","0.013","72.264","0.012","4204.6","1.4","100","2","100","2","","","","","","","","4","P -1","-P 1","2","","","","- C88 H52 N6 O12 -","- C88 H52 N6 O12 -","- C176 H104 N12 O24 -","2","1","","Mastalerz, Michael; Hu, Xin-Yue; Zhang, Wen-Shan; Schröder, Rasmus R.; Wacker, Irene; Rominger, Frank -","Transforming a chemically labile [2+3] imine cage into a robust carbamate cage","Chem. Commun.","2017","","","","","10.1039/C7CC03677A","","","1.54178","CuKα","","0.268","0.1255","","","0.2791","0.3616","","","","","","1.016","","","","has coordinates","198559","2020-10-21","18:00:00",""
"7120397","18.7671","0.0003","19.4091","0.0004","27.757","0.0006","76.07","0.002","87.338","0.002","84.03","0.002","9757.6","0.3","100","2","100","2","","","","","","","","4","P -1","-P 1","2","","","","- C88 H52 N6 O12 -","- C88 H52 N6 O12 -","- C352 H208 N24 O48 -","4","2","","Mastalerz, Michael; Hu, Xin-Yue; Zhang, Wen-Shan; Schröder, Rasmus R.; Wacker, Irene; Rominger, Frank -","Transforming a chemically labile [2+3] imine cage into a robust carbamate cage","Chem. Commun.","2017","","","","","10.1039/C7CC03677A","","","1.54178","CuKα","","0.0882","0.0707","","","0.19","0.2006","","","","","","1.112","","","","has coordinates","198559","2020-10-21","18:00:00",""
"7120398","11.7191","0.0004","23.4564","0.0007","21.6135","0.0007","90","","91.4944","0.0014","90","","5939.3","0.3","200","2","200","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C34 H63 Cl7 N16 Ni4 O8.5 -","- C34 H63 Cl7 N16 Ni4 O8.5 -","- C136 H252 Cl28 N64 Ni16 O34 -","4","0.5","","Lemes, Maykon; Brunet, Gabriel; Pialat, Amelie; Ungur, Liviu; Korobkov, Ilia; Murugesu, Muralee","Strong ferromagnetic exchange coupling in a {NiII4} cluster mediated through an air-stable tetrazine-based radical anion","Chem. Commun.","2017","","","","","10.1039/C7CC04554A","","","0.71073","MoKα","","0.0586","0.0406","","","0.1118","0.1266","","","","","","1.021","","","","has coordinates","198560","2020-10-21","18:00:00",""
"7120399","9.735","0.0007","15.9966","0.0009","15.9748","0.0015","90","","105.392","0.004","90","","2398.5","0.3","123","2","123","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","SNAPF-Me2","","","- C31 H23 O3 P -","- C31 H23 O3 P -","- C124 H92 O12 P4 -","4","1","","Fukazawa, Aiko; Usuba, Junichi; Adler, Raúl A.; Yamaguchi, Shigehiro","Synthesis of seminaphtho-phospha-fluorescein dyes based on the consecutive arylation of aryldichlorophosphines","Chem. Commun.","2017","","","","","10.1039/C7CC04323F","","","0.71075","MoKα","","0.0411","0.0348","","","0.0884","0.0937","","","","","","1.04","","","","has coordinates","198562","2020-10-21","18:00:00",""
"7120400","9.23","0.01","26.54","0.03","9.263","0.01","90","","104.736","0.018","90","","2194","4","123","2","123","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","cis6abMe","3,7-dimethoxy-5-phenyl-10-(o-tolyl)-10H-acridophosphine 5-oxide","","- C28 H25 O3 P -","- C28 H25 O3 P -","- C112 H100 O12 P4 -","4","1","","Fukazawa, Aiko; Usuba, Junichi; Adler, Raúl A.; Yamaguchi, Shigehiro","Synthesis of seminaphtho-phospha-fluorescein dyes based on the consecutive arylation of aryldichlorophosphines","Chem. Commun.","2017","","","","","10.1039/C7CC04323F","","","0.71075","MoKα","","0.1675","0.1174","","","0.307","0.3458","","","","","","1.056","","","","has coordinates","198562","2020-10-21","18:00:00",""
"7120401","7.4318","0.0016","19.171","0.004","15.802","0.004","90","","94.986","0.003","90","","2242.9","0.9","123","2","123","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","trans6aaMe","3,7-dimethoxy-5-phenyl-10-(o-tolyl)-10H-acridophosphine 5-oxide","","- C28 H25 O3 P -","- C28 H25 O3 P -","- C112 H100 O12 P4 -","4","1","","Fukazawa, Aiko; Usuba, Junichi; Adler, Raúl A.; Yamaguchi, Shigehiro","Synthesis of seminaphtho-phospha-fluorescein dyes based on the consecutive arylation of aryldichlorophosphines","Chem. Commun.","2017","","","","","10.1039/C7CC04323F","","","0.71075","MoKα","","0.0439","0.0377","","","0.0948","0.0975","","","","","","1.091","","","","has coordinates","198562","2020-10-21","18:00:00",""
"7120402","17.051","0.004","19.249","0.004","33.459","0.008","76.645","0.009","77.196","0.008","66.876","0.008","9721","4","173","2","173","2","","","","","","","","2","P -1","-P 1","2","","","","- C125 H104 -","- C125 H104 -","- C500 H416 -","4","2","","Chen, Yulan; MarsZALEK, Tomasz; Fritz, Torsten; Baumgarten, Martin; Wagner, Manfred; Pisula, Wojciech; Chen, Long; Muellen, K.","Contorted Polycyclic Aromatic Hydrocarbons with Cove Regions and Zig-Zag Edges","Chem. Commun.","2017","","","","","10.1039/C7CC03709K","","","0.71073","MoKα","","0.2402","0.1008","","","0.2641","0.352","","","","","","1.021","","","","has coordinates","198563","2020-10-21","18:00:00",""
"7120403","19.3329","0.0013","15.9912","0.0008","21.1165","0.0013","90","","90.938","0.005","90","","6527.4","0.7","223","2","223","2","","","","","","","","2","P 1 21/n 1","-P 2yn","14","","","","- C88 H48 -","- C88 H48 -","- C352 H192 -","4","1","","Chen, Yulan; MarsZALEK, Tomasz; Fritz, Torsten; Baumgarten, Martin; Wagner, Manfred; Pisula, Wojciech; Chen, Long; Muellen, K.","Contorted Polycyclic Aromatic Hydrocarbons with Cove Regions and Zig-Zag Edges","Chem. Commun.","2017","","","","","10.1039/C7CC03709K","","","1.54178","CuKα","","0.1144","0.052","","","0.1281","0.1569","","","","","","0.867","","","","has coordinates","198563","2020-10-21","18:00:00",""
"7120404","12.616","0.002","20.841","0.003","22.503","0.004","90","","92.589","0.005","90","","5910.7","1.6","93","","93","","","","","","","","","3","P 1 21/n 1","-P 2yn","14","pillar[5]arene octane solvate","","","- C63 H88 O10 -","- C63 H88 O10 -","- C252 H352 O40 -","4","1","","Ogoshi, Tomoki; Sueto, Ryuta; Hamada, Yukie; Doitomi, Kazuki; Hirao, Hajime; Sakata, Yoko; Akine, Shigehisa; Kakuta, Takahiro; Yamagishi, Tada-aki","Alkane-Length Sorting Using Activated Pillar[5]arene Crystals","Chem. Commun.","2017","","","","","10.1039/C7CC04454B","","","0.71073","MoKα","","0.1287","0.0828","","","0.1951","0.2452","","","","","","1.068","","","","has coordinates,has disorder","198608","2020-10-21","18:00:00",""
"7120405","12.3726","0.0009","32.286","0.002","31.31","0.002","90","","95.977","0.002","90","","12439.2","1.4","93","","93","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","pillar[5]arene_hexadecane","","","- C63.52 H86.98 Cl3 O10 -","- C63.52 H86.98 Cl3 O10 -","- C508.16 H695.84 Cl24 O80 -","8","2","","Ogoshi, Tomoki; Sueto, Ryuta; Hamada, Yukie; Doitomi, Kazuki; Hirao, Hajime; Sakata, Yoko; Akine, Shigehisa; Kakuta, Takahiro; Yamagishi, Tada-aki","Alkane-Length Sorting Using Activated Pillar[5]arene Crystals","Chem. Commun.","2017","","","","","10.1039/C7CC04454B","","","0.71073","MoKα","","0.0982","0.0803","","","0.2081","0.2327","","","","","","1.089","","","","has coordinates,has disorder","198608","2020-10-21","18:00:00",""
"7120406","42.5349","0.0007","15.8092","0.0007","16.7646","0.0018","90","","90","","90","","11273.2","1.3","90","","90","","","","","","","","","3","P b c n","-P 2n 2ab","60","pillar[5]arene heptane","","","- C62 H86 O10 -","- C62 H86 O10 -","- C496 H688 O80 -","8","1","","Ogoshi, Tomoki; Sueto, Ryuta; Hamada, Yukie; Doitomi, Kazuki; Hirao, Hajime; Sakata, Yoko; Akine, Shigehisa; Kakuta, Takahiro; Yamagishi, Tada-aki","Alkane-Length Sorting Using Activated Pillar[5]arene Crystals","Chem. Commun.","2017","","","","","10.1039/C7CC04454B","","","1.54178","CuKα","","0.0961","0.0951","","","0.2675","0.2682","","","","","","1.098","","","","has coordinates,has disorder","198608","2020-10-21","18:00:00",""
"7120407","10.0712","0.001","13.1339","0.0013","13.3013","0.0014","104.565","0.002","104.14","0.002","101.177","0.002","1589","0.3","296","","296","","","","","","","","","6","P -1","-P 1","2","","","","- C38 H30 Cl N O4 S -","- C38 H30 Cl N O4 S -","- C76 H60 Cl2 N2 O8 S2 -","2","1","","Mao, Xiao Feng; Zhu, Xiao-Ping; Li, Deng Yuan; Jiang, Liang-Liang; Liu, Pei Nian","Cascade reaction of alkynols and 1-(2-aminophenyl)prop-2-ynols to form a fused 5,5,6-tricyclic system: formation of four bonds in a single reaction","Chem. Commun.","2017","","","","","10.1039/C7CC04126H","","","0.71073","MoKα","","0.1092","0.0462","","","0.1067","0.1326","","","","","","0.982","","","","has coordinates","198609","2020-10-21","18:00:00",""
"7120408","35.535","0.006","8.3152","0.0014","26.015","0.004","90","","126.844","0.003","90","","6151.6","1.8","293","2","293","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C38 H31 N O4 S -","- C38 H31 N O4 S -","- C304 H248 N8 O32 S8 -","8","1","","Mao, Xiao Feng; Zhu, Xiao-Ping; Li, Deng Yuan; Jiang, Liang-Liang; Liu, Pei Nian","Cascade reaction of alkynols and 1-(2-aminophenyl)prop-2-ynols to form a fused 5,5,6-tricyclic system: formation of four bonds in a single reaction","Chem. Commun.","2017","","","","","10.1039/C7CC04126H","","","0.71073","MoKα","","0.075","0.0477","","","0.1245","0.1392","","","","","","1.035","","","","has coordinates","198609","2020-10-21","18:00:00",""
"7120409","11.953","0.0011","16.5209","0.0014","31.646","0.003","90","","90","","90","","6249.3","1","296","2","296.15","","","","","","","","","6","P b c a","-P 2ac 2ab","61","","","","- C38 H30 Cl N O4 S -","- C38 H30 Cl N O4 S -","- C304 H240 Cl8 N8 O32 S8 -","8","1","","Mao, Xiao Feng; Zhu, Xiao-Ping; Li, Deng Yuan; Jiang, Liang-Liang; Liu, Pei Nian","Cascade reaction of alkynols and 1-(2-aminophenyl)prop-2-ynols to form a fused 5,5,6-tricyclic system: formation of four bonds in a single reaction","Chem. Commun.","2017","","","","","10.1039/C7CC04126H","","","0.71073","MoKα","","0.127","0.0692","","","0.146","0.1787","","","","","","1.054","","","","has coordinates","198609","2020-10-21","18:00:00",""
"7120410","7.3577","0.0009","9.9881","0.0011","16.612","0.002","89.395","0.01","88.058","0.01","89.171","0.01","1219.9","0.2","295.28","0.1","295.28","0.1","","","","","","","NO","4","P -1","-P 1","2","No","4-(2-nitropropan-2-yl)-2-phenylpyrimidine","","- C13 H13 N3 O2 -","- C13 H13 N3 O2 -","- C52 H52 N12 O8 -","4","2","","Zhou, Yao; Tang, Zhonghe; Song, Qiuling","Co-Catalyzed Highly Selective C(sp3)−H Nitration","Chem. Commun.","2017","","","","","10.1039/C7CC04433J","","x-ray","0.71073","MoKα","","0.1379","0.0862","","","0.2414","0.2856","","","","","","1.056","","","","has coordinates","198610","2020-10-21","18:00:00",""
"7120411","9.355","0.005","9.509","0.005","13.743","0.007","76.12","0.007","84.113","0.008","66.219","0.007","1086","1","296","2","296","2","","","","","","","","6","P -1","-P 1","2","","","","- C18 H13 Ag Cl3 N7 O2 -","- C18 H13 Ag Cl3 N7 O2 -","- C36 H26 Ag2 Cl6 N14 O4 -","2","1","","Li, Cheng-Peng; Zhou, Hang; Wang, Si; Chen, Jing; Wang, Zhongliang; Du, Miao","Highly efficient Cr2O72‒ removal of a 3D metal‒organic framework fabricated by tandem single-crystal to single-crystal transformations from a 1D coordination array","Chem. Commun.","2017","","","","","10.1039/C7CC04527A","","","0.71073","MoKα","","0.0479","0.043","","","0.1088","0.1127","","","","","","1.052","","","","has coordinates","198611","2020-10-21","18:00:00",""
"7120412","10.0544","0.0006","14.8631","0.0009","13.3957","0.0008","90","","98.272","0.001","90","","1981","0.2","173","2","173","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C17 H16.5 Ag N7 O4.25 -","- C17 H14 Ag N7 O4.25 -","- C68 H56 Ag4 N28 O17 -","4","1","","Li, Cheng-Peng; Zhou, Hang; Wang, Si; Chen, Jing; Wang, Zhongliang; Du, Miao","Highly efficient Cr2O72‒ removal of a 3D metal‒organic framework fabricated by tandem single-crystal to single-crystal transformations from a 1D coordination array","Chem. Commun.","2017","","","","","10.1039/C7CC04527A","","","0.71073","MoKα","","0.0377","0.0334","","","0.0951","0.0985","","","","","","1.046","","","","has coordinates,has disorder","198611","2020-10-21","18:00:00",""
"7120413","10.284","0.0004","14.6472","0.0006","15.6111","0.0005","90","","118.983","0.002","90","","2057.03","0.14","296","2","296","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C19 H14 Ag F3 N6 O3 -","- C19 H14 Ag F3 N6 O3 -","- C76 H56 Ag4 F12 N24 O12 -","4","1","","Li, Cheng-Peng; Zhou, Hang; Wang, Si; Chen, Jing; Wang, Zhongliang; Du, Miao","Highly efficient Cr2O72‒ removal of a 3D metal‒organic framework fabricated by tandem single-crystal to single-crystal transformations from a 1D coordination array","Chem. Commun.","2017","","","","","10.1039/C7CC04527A","","","0.71073","MoKα","","0.0487","0.0442","","","0.1264","0.1315","","","","","","1.051","","","","has coordinates,has disorder","198611","2020-10-21","18:00:00",""
"7120414","10.1531","0.0002","13.2623","0.0004","15.5979","0.0003","90","","95.662","0.002","90","","2090.06","0.09","293","2","293","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C19 H15 Ag Cr N7 O3.5 -","- C19 H15 Ag Cr N7 O3.5 -","- C76 H60 Ag4 Cr4 N28 O14 -","4","1","","Li, Cheng-Peng; Zhou, Hang; Wang, Si; Chen, Jing; Wang, Zhongliang; Du, Miao","Highly efficient Cr2O72‒ removal of a 3D metal‒organic framework fabricated by tandem single-crystal to single-crystal transformations from a 1D coordination array","Chem. Commun.","2017","","","","","10.1039/C7CC04527A","","","0.71073","MoKα","","0.0471","0.0394","","","0.0929","0.0985","","","","","","1.046","","","","has coordinates","198611","2020-10-21","18:00:00",""
"7120415","5.1684","0.0012","15.051","0.003","4.9061","0.0012","90","","90","","90","","381.64","0.15","173","2","173","2","","","","","","","","4","A m m 2","A 2 -2","38","","Pb2(NO3)2(H2O)F2","","- F2 N2 O7 Pb2 -","- F2 N2 O7 Pb2 -","- F4 N4 O14 Pb4 -","2","0.25","","Peng, Guang; Yang, Yi; Tang, Yu-Huan; Luo, Min; Yan, Tao; Zhou, Yuqiao; Lin, Chensheng; Lin, Zheshuai; Ye, Ning","Collaborative Enhancement from Pb2+ and F- in Pb2(NO3)2(H2O)F2 Generates the Largest Second Harmonic Generation Effect Among Nitrates","Chem. Commun.","2017","","","","","10.1039/C7CC04340F","","","0.71073","MoKα","","0.0361","0.0335","","","0.0651","0.0662","","","","","","0.986","","","","has coordinates","198612","2020-10-21","18:00:00",""
"7120416","15.164","0.01","15.217","0.01","15.529","0.01","90","","90","","90","","3583","4","173","2","173","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","1-ethyl-3-methylimdazolium acetate 4,5-di(amidoximyl)imidazole","","- C13 H22 N8 O4 -","- C13 H22 N8 O4 -","- C104 H176 N64 O32 -","8","1","","Titi, Hatem M.; Kelley, Steven Paul; Easton, Max; Emerson, Stephen D.; Rogers, Robin D.","Formation of Ionic Co-Crystals of Amphoteric Azoles Directed by the Ionic Liquid Co-Former 1-Ethyl-3-Methylimidazolium Acetate","Chem. Commun.","2017","","","","","10.1039/C7CC04429A","","","0.71073","MoKα","","0.1583","0.076","","","0.1812","0.2362","","","","","","0.93","","","","has coordinates","198653","2020-10-21","18:00:00",""
"7120417","5.0454","0.0006","14.2329","0.0018","18.305","0.003","90","","91.205","0.004","90","","1314.2","0.3","100","2","100","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","1-ethyl-3-methylimdazolium acetate 3,5-diaminotriazole","","- C10 H19 N7 O2 -","- C10 H19 N7 O2 -","- C40 H76 N28 O8 -","4","1","","Titi, Hatem M.; Kelley, Steven Paul; Easton, Max; Emerson, Stephen D.; Rogers, Robin D.","Formation of Ionic Co-Crystals of Amphoteric Azoles Directed by the Ionic Liquid Co-Former 1-Ethyl-3-Methylimidazolium Acetate","Chem. Commun.","2017","","","","","10.1039/C7CC04429A","","","0.71073","MoKα","","0.0398","0.0341","","","0.0835","0.087","","","","","","1.056","","","","has coordinates","198653","2020-10-21","18:00:00",""
"7120418","13.409","0.002","7.1954","0.0012","36.229","0.006","90","","90","","90","","3495.5","1","100","2","100","2","","","","","","","","3","P b c a","-P 2ac 2ab","61","","1-ethyl-3-methylimdazolium 4,5-dicyanoimidazolate 4,5-dicyanoimidazole","","- C16 H14 N10 -","- C16 H13.74 N10 -","- C128 H109.92 N80 -","8","1","","Titi, Hatem M.; Kelley, Steven Paul; Easton, Max; Emerson, Stephen D.; Rogers, Robin D.","Formation of Ionic Co-Crystals of Amphoteric Azoles Directed by the Ionic Liquid Co-Former 1-Ethyl-3-Methylimidazolium Acetate","Chem. Commun.","2017","","","","","10.1039/C7CC04429A","","","0.71073","MoKα","","0.0717","0.0499","","","0.117","0.129","","","","","","1.023","","","","has coordinates","198653","2020-10-21","18:00:00",""
"7120419","7.8397","0.0005","8.9624","0.0006","9.2212","0.0007","116.269","0.002","98.816","0.003","93.667","0.002","567.74","0.07","100","2","100","2","","","","","","","","4","P 1","P 1","1","","1-ethyl-3-methylimdazolium 2-methyl-4(5)-nitroimidazolate.2(2-methyl-4(5)-nitroimidazole)","","- C18 H25 N11 O6 -","- C18 H25 N11 O6 -","- C18 H25 N11 O6 -","1","1","","Titi, Hatem M.; Kelley, Steven Paul; Easton, Max; Emerson, Stephen D.; Rogers, Robin D.","Formation of Ionic Co-Crystals of Amphoteric Azoles Directed by the Ionic Liquid Co-Former 1-Ethyl-3-Methylimidazolium Acetate","Chem. Commun.","2017","","","","","10.1039/C7CC04429A","","","0.71073","MoKα","","0.0407","0.0341","","","0.0803","0.0835","","","","","","1.032","","","","has coordinates","198653","2020-10-21","18:00:00",""
"7120420","21.18","0.003","8.8602","0.0013","24.22","0.004","90","","102.725","0.002","90","","4433.5","1.2","110","2","110","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C32 H32 F20 K4 N4 P4 -","- C32 H32 F20 K4 N4 P4 -","- C128 H128 F80 K16 N16 P16 -","4","1","","Gabbaï, François P.; Li, Zibo; Vabre, Boris; Chansaenpak, Kantapat; Wang, Mengzhe; Wang, Hui","Radiofluorination of a NHC-PF5 adduct: Toward new probes for 18F PET imaging","Chem. Commun.","2017","","","","","10.1039/C7CC04402J","","","0.71073","MoKα","","0.0594","0.0418","","","0.0952","0.1036","","","","","","1.036","","","","has coordinates","198654","2020-10-21","18:00:00",""
"7120421","7.5298","0.0013","11.1769","0.0019","14.477","0.003","90","","104.313","0.002","90","","1180.6","0.4","110","2","110","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C11 H13 F4 N2 P -","- C11 H13 F4 N2 P -","- C44 H52 F16 N8 P4 -","4","1","","Gabbaï, François P.; Li, Zibo; Vabre, Boris; Chansaenpak, Kantapat; Wang, Mengzhe; Wang, Hui","Radiofluorination of a NHC-PF5 adduct: Toward new probes for 18F PET imaging","Chem. Commun.","2017","","","","","10.1039/C7CC04402J","","","0.71073","MoKα","","0.0425","0.0352","","","0.0954","0.1004","","","","","","1.069","","","","has coordinates","198654","2020-10-21","18:00:00",""
"7120422","11.4","0.003","11.4","0.003","42.6593","0.001","90","","90","","120","","4801.2","1.8","263","2","263","2","","","","","","","","4","R -3 :H","-R 3","148","","","","- C40 H29 N3 O6 -","- C39.93 H28.92 N3 O6 -","- C239.58 H173.52 N18 O36 -","6","0.333333","","Mamada, Masashi; Minami, Tsuyoshi; Katagiri, Hiroshi; Omiya, Takafumi; Tokito, Shizuo","One-step, green synthesis of a supramolecular organogelator based on mellitic triimide for the recognition of aromatic compounds","Chem. Commun.","2017","","","","","10.1039/C7CC04876A","","","0.71075","MoKα","","0.0869","0.0751","","","0.2178","0.2242","","","","","","1.282","","","","has coordinates,has disorder","198655","2020-10-21","18:00:00",""
"7120423","11.1835","0.0005","11.1835","0.0005","44.034","0.003","90","","90","","120","","4769.5","0.4","93","2","93","2","","","","","","","","5","R -3 :H","-R 3","148","","","","- C39 H24 F3 N3 O6 -","- C39 H24 F3 N3 O6 -","- C234 H144 F18 N18 O36 -","6","0.333333","","Mamada, Masashi; Minami, Tsuyoshi; Katagiri, Hiroshi; Omiya, Takafumi; Tokito, Shizuo","One-step, green synthesis of a supramolecular organogelator based on mellitic triimide for the recognition of aromatic compounds","Chem. Commun.","2017","","","","","10.1039/C7CC04876A","","","0.71075","MoKα","","0.0411","0.036","","","0.1041","0.1086","","","","","","1.159","","","","has coordinates","198655","2020-10-21","18:00:00",""
"7120424","14.2424","0.0018","13.5392","0.0017","26.421","0.003","90","","91.0247","0.0017","90","","5094","1.1","93","","93","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C33 H21 N3 O6 -","- C33 H21 N3 O6 -","- C264 H168 N24 O48 -","8","2","","Mamada, Masashi; Minami, Tsuyoshi; Katagiri, Hiroshi; Omiya, Takafumi; Tokito, Shizuo","One-step, green synthesis of a supramolecular organogelator based on mellitic triimide for the recognition of aromatic compounds","Chem. Commun.","2017","","","","","10.1039/C7CC04876A","","","0.71075","MoKα","","0.0439","0.039","","","0.1003","0.1054","","","","","","1.063","","","","has coordinates","198655","2020-10-21","18:00:00",""
"7120425","11.1609","0.0011","11.1609","0.0011","42.683","0.006","90","","90","","120","","4604.5","0.9","93","2","93","2","","","","","","","","4","R -3 :H","-R 3","148","","","","- C39 H27 N3 O6 -","- C39 H27 N3 O6 -","- C234 H162 N18 O36 -","6","0.333333","","Mamada, Masashi; Minami, Tsuyoshi; Katagiri, Hiroshi; Omiya, Takafumi; Tokito, Shizuo","One-step, green synthesis of a supramolecular organogelator based on mellitic triimide for the recognition of aromatic compounds","Chem. Commun.","2017","","","","","10.1039/C7CC04876A","","","0.71075","MoKα","","0.0684","0.0669","","","0.1141","0.1147","","","","","","1.356","","","","has coordinates","198655","2020-10-21","18:00:00",""
"7120426","11.3405","0.0013","11.3405","0.0013","43.872","0.008","90","","90","","120","","4886.3","1.2","193","2","193","2","","","","","","","","6","R -3 :H","-R 3","148","","","","- C39 H23 Cl F3 N3 O6 -","- C38.94 H22.95 Cl0.99 F3 N3 O6 -","- C233.64 H137.7 Cl5.94 F18 N18 O36 -","6","0.333333","","Mamada, Masashi; Minami, Tsuyoshi; Katagiri, Hiroshi; Omiya, Takafumi; Tokito, Shizuo","One-step, green synthesis of a supramolecular organogelator based on mellitic triimide for the recognition of aromatic compounds","Chem. Commun.","2017","","","","","10.1039/C7CC04876A","","","0.71075","MoKα","","0.1222","0.0806","","","0.2126","0.2524","","","","","","1.077","","","","has coordinates,has disorder","198655","2020-10-21","18:00:00",""
"7120427","7.6136","0.0016","13.69","0.003","24.789","0.005","90","","90","","90","","2583.8","0.9","93","","93","","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C33 H21 N3 O6 -","- C33 H21 N3 O6 -","- C132 H84 N12 O24 -","4","1","","Mamada, Masashi; Minami, Tsuyoshi; Katagiri, Hiroshi; Omiya, Takafumi; Tokito, Shizuo","One-step, green synthesis of a supramolecular organogelator based on mellitic triimide for the recognition of aromatic compounds","Chem. Commun.","2017","","","","","10.1039/C7CC04876A","","","0.71075","MoKα","","0.0575","0.0492","","","0.1337","0.1534","","","","","","1.213","","","","has coordinates","198655","2020-10-21","18:00:00",""
"7120428","11.2723","0.0014","11.2723","0.0014","42.445","0.008","90","","90","","120","","4670.7","1.2","93","2","93","2","","","","","","","","5","R -3 :H","-R 3","148","","","","- C39 H26 Cl N3 O6 -","- C38.94 H25.95 Cl0.99 N3 O6 -","- C233.64 H155.7 Cl5.94 N18 O36 -","6","0.333333","","Mamada, Masashi; Minami, Tsuyoshi; Katagiri, Hiroshi; Omiya, Takafumi; Tokito, Shizuo","One-step, green synthesis of a supramolecular organogelator based on mellitic triimide for the recognition of aromatic compounds","Chem. Commun.","2017","","","","","10.1039/C7CC04876A","","","0.71075","MoKα","","0.1","0.0907","","","0.1867","0.1926","","","","","","1.33","","","","has coordinates,has disorder","198655","2020-10-21","18:00:00",""
"7120429","11.1856","0.0006","11.1856","0.0006","42.522","0.003","90","","90","","120","","4607.5","0.5","113","2","113","2","","","","","","","","4","R -3 :H","-R 3","148","","","","- C38 H26 N4 O6 -","- C38.1 H26.1 N4.02 O6 -","- C228.6 H156.6 N24.12 O36 -","6","0.333333","","Mamada, Masashi; Minami, Tsuyoshi; Katagiri, Hiroshi; Omiya, Takafumi; Tokito, Shizuo","One-step, green synthesis of a supramolecular organogelator based on mellitic triimide for the recognition of aromatic compounds","Chem. Commun.","2017","","","","","10.1039/C7CC04876A","","","0.71075","MoKα","","0.0554","0.0487","","","0.1217","0.1268","","","","","","1.127","","","","has coordinates,has disorder","198655","2020-10-21","18:00:00",""
"7120430","11.924","0.005","10.644","0.004","25.903","0.011","90","","97.568","0.005","90","","3259","2","93","2","93","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C39 H23 F3 N4 O8 -","- C39 H23 F3 N4 O8 -","- C156 H92 F12 N16 O32 -","4","1","","Mamada, Masashi; Minami, Tsuyoshi; Katagiri, Hiroshi; Omiya, Takafumi; Tokito, Shizuo","One-step, green synthesis of a supramolecular organogelator based on mellitic triimide for the recognition of aromatic compounds","Chem. Commun.","2017","","","","","10.1039/C7CC04876A","","","0.71075","MoKα","","0.0912","0.0798","","","0.2047","0.2165","","","","","","1.393","","","","has coordinates","198655","2020-10-21","18:00:00",""
"7120431","11.152","0.004","11.305","0.004","15.563","0.006","88.785","0.016","69.158","0.011","62.289","0.01","1598.5","1","93","","93","","","","","","","","","5","P -1","-P 1","2","","","","- C40 H26 F3 N3 O6 -","- C40 H26 F3 N3 O6 -","- C80 H52 F6 N6 O12 -","2","1","","Mamada, Masashi; Minami, Tsuyoshi; Katagiri, Hiroshi; Omiya, Takafumi; Tokito, Shizuo","One-step, green synthesis of a supramolecular organogelator based on mellitic triimide for the recognition of aromatic compounds","Chem. Commun.","2017","","","","","10.1039/C7CC04876A","","","0.71075","MoKα","","0.0494","0.0376","","","0.0969","0.1012","","","","","","1.043","","","","has coordinates","198655","2020-10-21","18:00:00",""
"7120432","11.1691","0.0008","11.1691","0.0008","44.161","0.004","90","","90","","120","","4771","0.6","93","2","93","2","","","","","","","","5","R -3 :H","-R 3","148","","","","- C38 H23 F3 N4 O6 -","- C37.95 H22.95 F3 N3.99 O6 -","- C227.7 H137.7 F18 N23.94 O36 -","6","0.333333","","Mamada, Masashi; Minami, Tsuyoshi; Katagiri, Hiroshi; Omiya, Takafumi; Tokito, Shizuo","One-step, green synthesis of a supramolecular organogelator based on mellitic triimide for the recognition of aromatic compounds","Chem. Commun.","2017","","","","","10.1039/C7CC04876A","","","0.71075","MoKα","","0.0556","0.0523","","","0.1373","0.1401","","","","","","1.118","","","","has coordinates,has disorder","198655","2020-10-21","18:00:00",""
"7120433","19.8152","0.0006","22.7474","0.0007","25.646","0.0008","90","","90","","90","","11559.8","0.6","93","2","93","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C47 H34 N4 O9 -","- C47 H34 N4 O9 -","- C564 H408 N48 O108 -","12","3","","Mamada, Masashi; Minami, Tsuyoshi; Katagiri, Hiroshi; Omiya, Takafumi; Tokito, Shizuo","One-step, green synthesis of a supramolecular organogelator based on mellitic triimide for the recognition of aromatic compounds","Chem. Commun.","2017","","","","","10.1039/C7CC04876A","","","0.71075","MoKα","","0.0591","0.0484","","","0.1","0.1058","","","","","","1.115","","","","has coordinates","198655","2020-10-21","18:00:00",""
"7120434","11.279","0.008","11.279","0.008","42.69","0.03","90","","90","","120","","4703","6","93","2","93","2","","","","","","","","4","R -3 :H","-R 3","148","","","","- C39 H28 N4 O6 -","- C38.94 H27.93 N3.99 O6 -","- C233.64 H167.58 N23.94 O36 -","6","0.333333","","Mamada, Masashi; Minami, Tsuyoshi; Katagiri, Hiroshi; Omiya, Takafumi; Tokito, Shizuo","One-step, green synthesis of a supramolecular organogelator based on mellitic triimide for the recognition of aromatic compounds","Chem. Commun.","2017","","","","","10.1039/C7CC04876A","","","0.71075","MoKα","","0.0629","0.0582","","","0.1589","0.1632","","","","","","1.122","","","","has coordinates,has disorder","198655","2020-10-21","18:00:00",""
"7120435","11.791","0.011","10.595","0.008","11.856","0.011","90","","110.406","0.013","90","","1388","2","93","","93","","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C33 H18 F3 N3 O6 -","- C33 H18 F3 N3 O6 -","- C66 H36 F6 N6 O12 -","2","1","","Mamada, Masashi; Minami, Tsuyoshi; Katagiri, Hiroshi; Omiya, Takafumi; Tokito, Shizuo","One-step, green synthesis of a supramolecular organogelator based on mellitic triimide for the recognition of aromatic compounds","Chem. Commun.","2017","","","","","10.1039/C7CC04876A","","","0.71075","MoKα","","0.0746","0.0606","","","0.138","0.1524","","","","","","1.015","","","","has coordinates","198655","2020-10-21","18:00:00",""
"7120436","11.935","0.002","10.508","0.002","27.362","0.006","90","","99.943","0.003","90","","3380","1.1","93","2","93","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C37 H26 F3 N3 O8 -","- C37.05 H26.07 F3.005 N3 O8.01 -","- C148.2 H104.28 F12.02 N12 O32.04 -","4","1","","Mamada, Masashi; Minami, Tsuyoshi; Katagiri, Hiroshi; Omiya, Takafumi; Tokito, Shizuo","One-step, green synthesis of a supramolecular organogelator based on mellitic triimide for the recognition of aromatic compounds","Chem. Commun.","2017","","","","","10.1039/C7CC04876A","","","0.71075","MoKα","","0.0859","0.0676","","","0.1861","0.2068","","","","","","1.068","","","","has coordinates,has disorder","198655","2020-10-21","18:00:00",""
"7120437","11.28","0.003","12.342","0.004","8.977","0.003","90","","97.198","0.008","90","","1239.9","0.7","296","2","296","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C16 H11 N3 -","- C16 H11 N3 -","- C64 H44 N12 -","4","1","","Yi, Hong; Tang, Zilu; Bian, Changliang; Chen, Hong; Qi, Xiaotian; Yue, Xiaoyu; Lan, Yu; Lee, Jyh-Fu; Lei, Aiwen","Oxidation-induced C-H amination leads new avenue to build C-N bonds","Chem. Commun.","2017","","","","","10.1039/C7CC04955B","","","0.71073","MoKα","","0.0693","0.0389","","","0.1029","0.124","","","","","","1.012","","","","has coordinates","198698","2020-10-21","18:00:00",""
"7120438","8.898","0.005","16.229","0.009","14.316","0.008","90","","95.661","0.007","90","","2057","2","123","2","123","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C54 H43 B N4 -","- C54 H43 B N4 -","- C108 H86 B2 N8 -","2","1","","Matsuo, Kyohei; Yasuda, Takuma","Enhancing thermally activated delayed fluorescence characteristics by intramolecular B‒N coordination in a phenylpyridine-containing donor‒acceptor π-system","Chem. Commun.","2017","","","","","10.1039/C7CC04875K","","","0.71075","MoKα","","0.0426","0.0382","","","0.0897","0.0936","","","","","","1.049","","","","has coordinates,has disorder","198699","2020-10-21","18:00:00",""
"7120439","19.972","0.003","35.165","0.004","21.803","0.003","90","","103.419","0.0011","90","","14895","3","123","","123","","","","","","","","","7","P 1 21/a 1","-P 2yab","14","[LFe2(O2)(MeOH)(Ph3CCO2)](Ph4B)2(CH2Cl2)9.5(MeOH)3.3(MeCN)3.4","1-O2-MeOH","","- C135.6 H150.4 B2 Cl19 Fe2 N13.4 O9.3 -","- C135.599 H150.398 B2 Cl18.998 Fe2 N13.4 O9.3 -","- C542.396 H601.592 B8 Cl75.992 Fe8 N53.6 O37.2 -","4","1","","Sekino, Mio; Furutachi, Hideki; Tojo, Rina; Hishi, Ayumi; Kajikawa, Hanako; Suzuki, Takatoshi; Suzuki, Kaito; Fujinami, Shuhei; Akine, Shigehisa; Sakata, Yoko; Ohta, Takehiro; Hayami, Shinya; Suzuki, Masatatsu","New mechanistic insight into intramolecular aromatic ligand hydroxylation and benzyl alcohol oxidation initiated by well-defined (μ-peroxo)diiron(III) complex","Chem. Commun.","2017","","","","","10.1039/C7CC04382A","","","0.71073","MoKα","","0.189","0.178","","","0.4028","0.4096","","","","","","1.307","","","","has coordinates,has disorder","198700","2020-10-21","18:00:00",""
"7120440","5.3962","0.0004","7.7356","0.0006","11.7477","0.0009","99.421","0.003","94.558","0.002","104.661","0.002","464.25","0.06","296","2","296","2","","","","","","","","4","P -1","-P 1","2","","1,4-bis(selenocyanatomethyl)benzene, 4,4'-bipyridine","","- C20 H16 N4 Se2 -","- C20 H16 N4 Se2 -","- C20 H16 N4 Se2 -","1","0.5","","Huynh, Huu-Tri; Jeannin, Olivier; Fourmigué, Marc","Organic selenocyanates as strong and directional chalcogen bond donors for crystal engineering","Chem. Commun.","2017","","","","","10.1039/C7CC04833E","","x-ray","0.71073","MoKα","","0.0677","0.0412","","","0.0746","0.0841","","","","","","1.06","","","","has coordinates","198701","2020-10-21","18:00:00",""
"7120441","5.188","0.0005","14.9962","0.0013","25.101","0.002","90","","92.613","0.003","90","","1950.8","0.3","298","2","298","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","1,3-bis(selenocyanatomethyl)benzene, 4,4'-bipyridine","","- C20 H16 N4 Se2 -","- C20 H16 N4 Se2 -","- C80 H64 N16 Se8 -","4","0.5","","Huynh, Huu-Tri; Jeannin, Olivier; Fourmigué, Marc","Organic selenocyanates as strong and directional chalcogen bond donors for crystal engineering","Chem. Commun.","2017","","","","","10.1039/C7CC04833E","","x-ray","0.71073","MoKα","","0.0635","0.037","","","0.0796","0.0877","","","","","","1.03","","","","has coordinates","198701","2020-10-21","18:00:00",""
"7120442","5.9696","0.0007","36.72","0.004","10.2124","0.0011","90","","95.401","0.006","90","","2228.7","0.4","296","2","296","2","","","","","","","","4","C 1 c 1","C -2yc","9","","1,3-bis(selenocyanatomethyl)benzene","","- C10 H8 N2 Se2 -","- C10 H8 N2 Se2 -","- C80 H64 N16 Se16 -","8","2","","Huynh, Huu-Tri; Jeannin, Olivier; Fourmigué, Marc","Organic selenocyanates as strong and directional chalcogen bond donors for crystal engineering","Chem. Commun.","2017","","","","","10.1039/C7CC04833E","","x-ray","0.71073","MoKα","","0.1129","0.0529","","","0.087","0.1","","","","","","1.018","","","","has coordinates","198701","2020-10-21","18:00:00",""
"7120443","9.439","0.005","10.181","0.005","13.024","0.007","90","","90","","90","","1251.6","1.1","300","2","300","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C9 H17 Cl2 N3 -","- C9 H17 Cl2 N3 -","- C36 H68 Cl8 N12 -","4","1","","Rovira, Mireia; Jašíková, Lucie; Andris, Erik; Acuña-Pares, Ferran; Soler, Marta; Güell, Imma; Wang, Ming-Zheng; Gomez, Laura; Luis, Josep M.; Roithova, Jana; Ribas, Xavi","CuI/CuIII prototypical organometallic mechanism for the deactivation of an active pincer-like CuI catalyst in Ullmann-type couplings","Chem. Commun.","2017","","","","","10.1039/C7CC04491G","","","0.71073","MoKα","","0.0509","0.0381","","","0.0836","0.0903","","","","","","1.068","","","","has coordinates","198702","2020-10-21","18:00:00",""
"7120444","9.533","0.012","15.5","0.02","8.885","0.011","90","","113.71","0.019","90","","1202","3","298","2","298","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C9 H15.66 Br Cu N3 O0.33 -","- C9 H15 Br Cu N3 O0.33 -","- C36 H60 Br4 Cu4 N12 O1.32 -","4","1","","Rovira, Mireia; Jašíková, Lucie; Andris, Erik; Acuña-Pares, Ferran; Soler, Marta; Güell, Imma; Wang, Ming-Zheng; Gomez, Laura; Luis, Josep M.; Roithova, Jana; Ribas, Xavi","CuI/CuIII prototypical organometallic mechanism for the deactivation of an active pincer-like CuI catalyst in Ullmann-type couplings","Chem. Commun.","2017","","","","","10.1039/C7CC04491G","","","0.71073","MoKα","","0.051","0.0426","","","0.1262","0.1309","","","","","","1.099","","","","has coordinates","198702","2020-10-21","18:00:00",""
"7120445","8.1838","0.0011","9.374","0.0014","14.364","0.002","98.975","0.002","94.759","0.002","93.248","0.002","1082","0.3","173","2","173","2","","","","","","","","7","P -1","-P 1","2","","","","- C13 H18 Cu F6 N4 O6 S2 -","- C13 H18 Cu F6 N4 O6 S2 -","- C26 H36 Cu2 F12 N8 O12 S4 -","2","1","","Rovira, Mireia; Jašíková, Lucie; Andris, Erik; Acuña-Pares, Ferran; Soler, Marta; Güell, Imma; Wang, Ming-Zheng; Gomez, Laura; Luis, Josep M.; Roithova, Jana; Ribas, Xavi","CuI/CuIII prototypical organometallic mechanism for the deactivation of an active pincer-like CuI catalyst in Ullmann-type couplings","Chem. Commun.","2017","","","","","10.1039/C7CC04491G","","","0.71073","MoKα","","0.0507","0.0389","","","0.0928","0.0992","","","","","","1.042","","","","has coordinates","198702","2020-10-21","18:00:00",""
"7120446","20.4694","0.0006","29.3171","0.0007","9.33198","0.00018","90","","90.778","0.002","90","","5599.6","0.2","293.57","0.1","293.57","0.1","","","","","","","","5","C 1 2 1","C 2y","5","","","","- C30 H28 Br N O2 -","- C30 H28 Br N O2 -","- C240 H224 Br8 N8 O16 -","8","2","","Mei, Hongjiang; Lin, Lili; Wang, Lifeng; Dai, Li; Liu, Xiaohua; Feng, Xiaoming","Highly Regio-, Diastereo- and Enantioselective Deracemization of Axially Chiral 3-Alkylideneoxindoles","Chem. Commun.","2017","","","","","10.1039/C7CC05164F","","x-ray","1.54184","CuKα","","0.0813","0.0713","","","0.2034","0.2186","","","","","","1.074","","","","has coordinates","203412","2020-10-21","18:00:00",""
"7120447","15.6054","0.0013","25.418","0.002","23.8913","0.0019","90","","94.8892","0.001","90","","9442.2","1.3","88","2","88","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C87 H138 N2 O6 Si6 Yb3 -","- C87 H138 N2 O6 Si6 Yb3 -","- C348 H552 N8 O24 Si24 Yb12 -","4","1","","Huh, Daniel N.; Kotyk, Christopher Matthew; Gembicky, Milan; Rheingold, Arnold L.; Ziller, Joseph W.; Evans, William J.","Synthesis of Rare-Earth-Metal-in-Cryptand Dications, [Ln(2.2.2-cryptand)]2+, from Sm2+, Eu2+, and Yb2+ Silyl Metallocenes (C5H4SiMe3)2Ln(THF)2","Chem. Commun.","2017","","","","","10.1039/C7CC04396A","","","0.71073","MoKα","","0.0597","0.0409","","","0.0893","0.0968","","","","","","1.048","","","","has coordinates,has disorder","198704","2020-10-21","18:00:00",""
"7120448","17.0618","0.0016","17.018","0.0016","39.546","0.004","90","","96.6221","0.0011","90","","11405.9","1.9","133","2","133","2","","","","","","","","6","C 1 c 1","C -2yc","9","","","","- C42 H82 N2 O7 Si4 Sm2 -","- C42 H82 N2 O7 Si4 Sm2 -","- C336 H656 N16 O56 Si32 Sm16 -","8","2","","Huh, Daniel N.; Kotyk, Christopher Matthew; Gembicky, Milan; Rheingold, Arnold L.; Ziller, Joseph W.; Evans, William J.","Synthesis of Rare-Earth-Metal-in-Cryptand Dications, [Ln(2.2.2-cryptand)]2+, from Sm2+, Eu2+, and Yb2+ Silyl Metallocenes (C5H4SiMe3)2Ln(THF)2","Chem. Commun.","2017","","","","","10.1039/C7CC04396A","","","0.71073","MoKα","","0.094","0.0861","","","0.2063","0.2105","","","","","","1.114","","","","has coordinates,has disorder","198704","2020-10-21","18:00:00",""
"7120449","16.608","0.003","24.187","0.004","27.71","0.004","112.016","0.003","94.082","0.003","104.427","0.003","9825","3","100","2","100","2","","","","","","","","6","P -1","-P 1","2","","","","- C86 H154 Eu3 N2 O11 Si6 -","- C86 H154 Eu3 N2 O11 Si6 -","- C344 H616 Eu12 N8 O44 Si24 -","4","2","","Huh, Daniel N.; Kotyk, Christopher Matthew; Gembicky, Milan; Rheingold, Arnold L.; Ziller, Joseph W.; Evans, William J.","Synthesis of Rare-Earth-Metal-in-Cryptand Dications, [Ln(2.2.2-cryptand)]2+, from Sm2+, Eu2+, and Yb2+ Silyl Metallocenes (C5H4SiMe3)2Ln(THF)2","Chem. Commun.","2017","","","","","10.1039/C7CC04396A","","","0.71073","MoKα","","0.0761","0.0402","","","0.0793","0.0937","","","","","","1.015","","","","has coordinates,has disorder","198704","2020-10-21","18:00:00",""
"7120450","16.635","0.002","24.176","0.003","27.798","0.004","112.104","0.0015","94.405","0.0016","104.106","0.0016","9867","2","88","2","88","2","","","","","","","","6","P -1","-P 1","2","","","","- C86 H154 N2 O11 Si6 Sm3 -","- C86 H154 N2 O11 Si6 Sm3 -","- C344 H616 N8 O44 Si24 Sm12 -","4","2","","Huh, Daniel N.; Kotyk, Christopher Matthew; Gembicky, Milan; Rheingold, Arnold L.; Ziller, Joseph W.; Evans, William J.","Synthesis of Rare-Earth-Metal-in-Cryptand Dications, [Ln(2.2.2-cryptand)]2+, from Sm2+, Eu2+, and Yb2+ Silyl Metallocenes (C5H4SiMe3)2Ln(THF)2","Chem. Commun.","2017","","","","","10.1039/C7CC04396A","","","0.71073","MoKα","","0.1798","0.0674","","","0.1079","0.1442","","","","","","0.941","","","","has coordinates,has disorder","198704","2020-10-21","18:00:00",""
"7120451","11.8383","0.0009","13.1551","0.001","13.6364","0.001","78.762","0.007","85.45","0.006","89.969","0.006","2076.1","0.3","173","0.1","173","0.1","","","","","","","","4","P -1","-P 1","2","","","","- C23 H25 N O5 -","- C23 H25 N O5 -","- C92 H100 N4 O20 -","4","2","","Wang, Zhe-Hao; Zhang, Huan-Huan; Wang, Dao-Ming; Xu, Peng-Fei; Luo, Yong-Chun","Lewis acid catalyzed diastereoselective [3+4]-annulation of donor‒acceptor cyclopropanes with anthranils: synthesis of tetrahydro-1-benzazepine derivatives","Chem. Commun.","2017","","","","","10.1039/C7CC04239F","","","0.71073","MoKα","","0.0944","0.0599","","","0.1276","0.1546","","","","","","1.054","","","","has coordinates","198732","2020-10-21","18:00:00",""
"7120452","10.973","0.0004","15.1158","0.0005","25.0975","0.0008","90","","90","","90","","4162.8","0.2","293","2","293","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C22 H23 N O6 -","- C22 H23 N O6 -","- C176 H184 N8 O48 -","8","1","","Wang, Zhe-Hao; Zhang, Huan-Huan; Wang, Dao-Ming; Xu, Peng-Fei; Luo, Yong-Chun","Lewis acid catalyzed diastereoselective [3+4]-annulation of donor‒acceptor cyclopropanes with anthranils: synthesis of tetrahydro-1-benzazepine derivatives","Chem. Commun.","2017","","","","","10.1039/C7CC04239F","","","0.71073","MoKα","","0.1016","0.0562","","","0.117","0.1458","","","","","","1.066","","","","has coordinates","198733","2020-10-21","18:00:00",""
"7120453","16.8611","0.0008","7.7647","0.0003","27.0984","0.0013","90","","98.764","0.005","90","","3506.3","0.3","293.23","0.1","293.23","0.1","","","","","","","","4","P 1 2/n 1","-P 2yac","13","","","","- C20 H19 N O5 -","- C20 H19 N O5 -","- C160 H152 N8 O40 -","8","2","","Wang, Zhe-Hao; Zhang, Huan-Huan; Wang, Dao-Ming; Xu, Peng-Fei; Luo, Yong-Chun","Lewis acid catalyzed diastereoselective [3+4]-annulation of donor‒acceptor cyclopropanes with anthranils: synthesis of tetrahydro-1-benzazepine derivatives","Chem. Commun.","2017","","","","","10.1039/C7CC04239F","","x-ray","0.71073","MoKα","","0.12","0.066","","","0.1391","0.1784","","","","","","1.009","","","","has coordinates","198733","2020-10-21","18:00:00",""
"7120454","6.828","0.0003","11.7422","0.0005","23.4879","0.001","90","","90","","90","","1883.16","0.14","293","2","293","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C20 H18 Br N O5 -","- C20 H18 Br N O5 -","- C80 H72 Br4 N4 O20 -","4","1","","Wang, Zhe-Hao; Zhang, Huan-Huan; Wang, Dao-Ming; Xu, Peng-Fei; Luo, Yong-Chun","Lewis acid catalyzed diastereoselective [3+4]-annulation of donor‒acceptor cyclopropanes with anthranils: synthesis of tetrahydro-1-benzazepine derivatives","Chem. Commun.","2017","","","","","10.1039/C7CC04239F","","","0.71073","MoKα","","0.0845","0.0513","","","0.089","0.1013","","","","","","1.049","","","","has coordinates","198733","2020-10-21","18:00:00",""
"7120455","17.4957","0.0004","13.0591","0.0004","16.2596","0.0005","90","","113.447","0.0011","90","","3408.21","0.17","223","2","223","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C19 H20 N2 O3 -","- C19 H20 N2 O3 -","- C152 H160 N16 O24 -","8","1","","Bagal, Dattatraya B. B; Park, Sung-Woo; Song, Hyun-Ji; Chang, Sukbok","Visible light sensitization of benzoyl azides: cascade cyclization toward oxindoles via a non-nitrene pathway","Chem. Commun.","2017","","","","","10.1039/C7CC04852A","","","0.71073","MoKα","","0.0621","0.0435","","","0.1073","0.118","","","","","","1.04","","","","has coordinates","198765","2020-10-21","18:00:00",""
"7120456","9.531","0.0005","9.5367","0.0004","19.5389","0.0009","90","","93.809","0.002","90","","1772.05","0.14","120","2","120","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","DB- 0276","","- C20 H19 Br N2 O2 -","- C20 H19 Br N2 O2 -","- C80 H76 Br4 N8 O8 -","4","1","","Bagal, Dattatraya B. B; Park, Sung-Woo; Song, Hyun-Ji; Chang, Sukbok","Visible light sensitization of benzoyl azides: cascade cyclization toward oxindoles via a non-nitrene pathway","Chem. Commun.","2017","","","","","10.1039/C7CC04852A","","","0.71073","MoKα","","0.1562","0.0818","","","0.1503","0.171","","","","","","1.049","","","","has coordinates","198765","2020-10-21","18:00:00",""
"7120457","18.51","0.005","18.51","0.005","30.287","0.008","90","","90","","120","","8987","4","100","2","100","2","","","","","","","","7","P 63/m m c","-P 6c 2c","194","","","","- C7.67 H2.89 Cu Fe0.06 N0.22 O7.18 S0.11 -","- C7.65 H2.88 Cu Fe0.0558333 N0.33 O7.77083 S0.11 -","- C183.6 H69.12 Cu24 Fe1.34 N7.92 O186.5 S2.64 -","24","1","","Chen, Yao; Wojtas, Lukasz; Ma, Shengqian; Zaworotko, Michael; Zhang, Zhenjie","Post-Synthetic Transformation of a Novel Zn(II) Polyhedral Coordination Network into a New Supramolecular Isomer of HKUST-1","Chem. Commun.","2017","","","","","10.1039/C7CC04958G","","","1.54178","CuKα","","0.109","0.0882","","","0.2743","0.3033","","","","","","1.083","","","","has coordinates,has disorder","198766","2020-10-21","18:00:00",""
"7120458","34.304","0.002","29.2049","0.0019","18.7738","0.0011","90","","90","","90","","18808","2","100","2","100","2","","","","","","","","7","P n m a","-P 2ac 2n","62","","porphMOM-1","","- C57.96 H27.95 Fe0.43 N3.58 O37.23 S1.73 Zn5.9 -","- C57.98 H27.95 Fe0.435 N3.59 O37.295 S1.73 Zn5.9 -","- C463.84 H223.6 Fe3.48 N28.72 O298.36 S13.84 Zn47.2 -","8","1","","Chen, Yao; Wojtas, Lukasz; Ma, Shengqian; Zaworotko, Michael; Zhang, Zhenjie","Post-Synthetic Transformation of a Novel Zn(II) Polyhedral Coordination Network into a New Supramolecular Isomer of HKUST-1","Chem. Commun.","2017","","","","","10.1039/C7CC04958G","","","0.71073","MoKα","","0.1121","0.0824","","","0.2413","0.2694","","","","","","0.991","","","","has coordinates,has disorder","198766","2020-10-21","18:00:00",""
"7120459","8.794","0.005","14.351","0.008","16.856","0.009","90","","90","","90","","2127","2","155","2","155","2","","","","","","","","6","P m n 21","P 2ac -2","31","","","","- C14 H31 B2 Co F8 N5 -","- C14 H31 B2.002 Co F7.998 N4.75 -","- C56 H124 B8.008 Co4 F31.992 N19 -","4","1","","Cui, Hui-Hui; Wang, Jing; Chen, Xue-tai; Xue, Zi-Ling","Slow magnetic relaxation in five-coordinate spin-crossover cobalt(II) complexes","Chem. Commun.","2017","","","","","10.1039/C7CC04785A","","","0.71073","MoKα","","0.0754","0.0715","","","0.2127","0.2159","","","","","","1.185","","","","has coordinates,has disorder","198767","2020-10-21","18:00:00",""
"7120460","9.1662","0.0008","9.1662","0.0008","14.722","0.002","90","","90","","90","","1236.9","0.2","155","2","155","2","","","","","","","","6","P -4 21 m","P -4 2ab","113","","","","- C14 H31 Co F12 N5 P2 -","- C13.25 H31 Co F12 N4.25 P2 -","- C26.5 H62 Co2 F24 N8.5 P4 -","2","0.25","","Cui, Hui-Hui; Wang, Jing; Chen, Xue-tai; Xue, Zi-Ling","Slow magnetic relaxation in five-coordinate spin-crossover cobalt(II) complexes","Chem. Commun.","2017","","","","","10.1039/C7CC04785A","","","0.71073","MoKα","","0.077","0.0723","","","0.2242","0.229","","","","","","1.168","","","","has coordinates,has disorder","198767","2020-10-21","18:00:00",""
"7120461","13.9067","0.0015","18.439","0.002","8.897","0.001","90","","90","","90","","2281.4","0.4","293","2","293","2","","","","","","","","5","P n a 21","P 2c -2n","33","","","","- C25 H23 N5 O2 S -","- C25 H23 N5 O2 S -","- C100 H92 N20 O8 S4 -","4","1","","Shi, Min; Wei, Yin; Yu, Liu-Zhu","Copper-catalyzed trifluoromethylazidation and rearrangement of aniline-linked 1,7-enynes: access to CF3-substituted azaspirocyclic dihydroquinolin-2-ones and furoindolines","Chem. Commun.","2017","","","","","10.1039/C7CC04748G","","","0.71073","MoKα","","0.0539","0.0445","","","0.0981","0.1031","","","","","","1.022","","","","has coordinates","198768","2020-10-21","18:00:00",""
"7120462","10.439","0.004","10.668","0.004","11.232","0.004","72.878","0.008","74.118","0.008","65.951","0.007","1074.6","0.7","293","2","293","2","","","","","","","","6","P -1","-P 1","2","","","","- C21 H21 F3 N2 O2 S -","- C21 H21 F3 N2 O2 S -","- C42 H42 F6 N4 O4 S2 -","2","1","","Shi, Min; Wei, Yin; Yu, Liu-Zhu","Copper-catalyzed trifluoromethylazidation and rearrangement of aniline-linked 1,7-enynes: access to CF3-substituted azaspirocyclic dihydroquinolin-2-ones and furoindolines","Chem. Commun.","2017","","","","","10.1039/C7CC04748G","","","0.71073","MoKα","","0.1155","0.0707","","","0.2067","0.2383","","","","","","0.971","","","","has coordinates,has disorder","198768","2020-10-21","18:00:00",""
"7120463","10.4716","0.0015","10.9609","0.0017","11.0858","0.0017","80.892","0.003","71.645","0.003","82.468","0.003","1188","0.3","293","2","293","2","","","","","","","","7","P -1","-P 1","2","","","","- C26 H24 Cl F3 N2 O3 S -","- C26 H24 Cl F3 N2 O3 S -","- C52 H48 Cl2 F6 N4 O6 S2 -","2","1","","Shi, Min; Wei, Yin; Yu, Liu-Zhu","Copper-catalyzed trifluoromethylazidation and rearrangement of aniline-linked 1,7-enynes: access to CF3-substituted azaspirocyclic dihydroquinolin-2-ones and furoindolines","Chem. Commun.","2017","","","","","10.1039/C7CC04748G","","","0.71073","MoKα","","0.0541","0.0477","","","0.1164","0.1223","","","","","","1.042","","","","has coordinates","198768","2020-10-21","18:00:00",""
"7120464","8.8511","0.0015","17.643","0.003","15.334","0.003","90","","93.701","0.004","90","","2389.6","0.7","293","2","293","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C26 H21 F3 N2 O3 S -","- C26 H21 F3 N2 O3 S -","- C104 H84 F12 N8 O12 S4 -","4","1","","Shi, Min; Wei, Yin; Yu, Liu-Zhu","Copper-catalyzed trifluoromethylazidation and rearrangement of aniline-linked 1,7-enynes: access to CF3-substituted azaspirocyclic dihydroquinolin-2-ones and furoindolines","Chem. Commun.","2017","","","","","10.1039/C7CC04748G","","","0.71073","MoKα","","0.1099","0.0594","","","0.1263","0.1475","","","","","","1.023","","","","has coordinates","198768","2020-10-21","18:00:00",""
"7120465","13.7278","0.0017","14.2768","0.0018","14.0025","0.0018","90","","118.039","0.003","90","","2422.2","0.5","293","2","293","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C26 H27 F3 N2 O3 S -","- C26 H27 F3 N2 O3 S -","- C104 H108 F12 N8 O12 S4 -","4","1","","Shi, Min; Wei, Yin; Yu, Liu-Zhu","Copper-catalyzed trifluoromethylazidation and rearrangement of aniline-linked 1,7-enynes: access to CF3-substituted azaspirocyclic dihydroquinolin-2-ones and furoindolines","Chem. Commun.","2017","","","","","10.1039/C7CC04748G","","","0.71073","MoKα","","0.0774","0.0585","","","0.1315","0.1413","","","","","","1.095","","","","has coordinates","198768","2020-10-21","18:00:00",""
"7120466","11.1898","0.0016","21.424","0.003","11.0005","0.0016","90","","105.012","0.003","90","","2547.2","0.6","293","2","293","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C27 H25 F3 N2 O4 S -","- C27 H25 F3 N2 O4 S -","- C108 H100 F12 N8 O16 S4 -","4","1","","Shi, Min; Wei, Yin; Yu, Liu-Zhu","Copper-catalyzed trifluoromethylazidation and rearrangement of aniline-linked 1,7-enynes: access to CF3-substituted azaspirocyclic dihydroquinolin-2-ones and furoindolines","Chem. Commun.","2017","","","","","10.1039/C7CC04748G","","","0.71073","MoKα","","0.0625","0.0492","","","0.1222","0.1307","","","","","","1.036","","","","has coordinates","198768","2020-10-21","18:00:00",""
"7120467","11.6099","0.0013","10.184","0.0011","20.888","0.002","90","","95.677","0.002","90","","2457.6","0.4","293","2","293","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C26 H27 F3 N2 O3 S -","- C26 H27 F3 N2 O3 S -","- C104 H108 F12 N8 O12 S4 -","4","1","","Shi, Min; Wei, Yin; Yu, Liu-Zhu","Copper-catalyzed trifluoromethylazidation and rearrangement of aniline-linked 1,7-enynes: access to CF3-substituted azaspirocyclic dihydroquinolin-2-ones and furoindolines","Chem. Commun.","2017","","","","","10.1039/C7CC04748G","","","0.71073","MoKα","","0.0588","0.0467","","","0.1187","0.1272","","","","","","1.011","","","","has coordinates","198768","2020-10-21","18:00:00",""
"7120468","12.394","0.003","26.081","0.007","8.658","0.003","90","","122.75","0.005","90","","2353.8","1.2","293","2","293","2","","","","","","","","6","C 1 c 1","C -2yc","9","","","","- C26 H23 F3 N2 O2 S -","- C26 H23 F3 N2 O2 S -","- C104 H92 F12 N8 O8 S4 -","4","1","","Shi, Min; Wei, Yin; Yu, Liu-Zhu","Copper-catalyzed trifluoromethylazidation and rearrangement of aniline-linked 1,7-enynes: access to CF3-substituted azaspirocyclic dihydroquinolin-2-ones and furoindolines","Chem. Commun.","2017","","","","","10.1039/C7CC04748G","","","0.71073","MoKα","","0.0588","0.0455","","","0.101","0.1078","","","","","","0.977","","","","has coordinates","198768","2020-10-21","18:00:00",""
"7120469","11.6327","0.0003","15.2299","0.0003","11.7369","0.0003","90","","105.682","0.003","90","","2001.97","0.09","173","2","173","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C26 H18 B F4 N -","- C26 H18 B F4 N -","- C104 H72 B4 F16 N4 -","4","2","","Brandt, Jochen; Pospisil, Lubomir; Bednárová, Lucie; Correa da Costa, Rosenildo; White, Andrew J. P.; Mori, Tadashi; Teply, Filip; Fuchter, Matthew","Intense Redox-Driven Chiroptical Switching with a 580 mV Hysteresis Actuated Through Reversible Dimerization of an Azoniahelicene","Chem. Commun.","2017","","","","","10.1039/C7CC04903J","","","1.54184","CuKα","","0.0735","0.0684","","","0.1916","0.1997","","","","","","1.035","","","","has coordinates,has disorder","198769","2020-10-21","18:00:00",""
"7120470","7.3037","0.0003","13.0339","0.0005","17.4036","0.0006","90","","90","","90","","1656.75","0.11","173","2","173","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C25 H15 N -","- C25 H15 N -","- C100 H60 N4 -","4","1","","Brandt, Jochen; Pospisil, Lubomir; Bednárová, Lucie; Correa da Costa, Rosenildo; White, Andrew J. P.; Mori, Tadashi; Teply, Filip; Fuchter, Matthew","Intense Redox-Driven Chiroptical Switching with a 580 mV Hysteresis Actuated Through Reversible Dimerization of an Azoniahelicene","Chem. Commun.","2017","","","","","10.1039/C7CC04903J","","","0.71073","MoKα","","0.0665","0.0483","","","0.1091","0.1231","","","","","","1.02","","","","has coordinates,has disorder","198769","2020-10-21","18:00:00",""
"7120471","11.3736","0.0002","9.77554","0.00019","18.3654","0.0004","90","","104.092","0.002","90","","1980.47","0.07","173","2","173","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C26 H18 B F4 N -","- C26 H18 B F4 N -","- C104 H72 B4 F16 N4 -","4","1","","Brandt, Jochen; Pospisil, Lubomir; Bednárová, Lucie; Correa da Costa, Rosenildo; White, Andrew J. P.; Mori, Tadashi; Teply, Filip; Fuchter, Matthew","Intense Redox-Driven Chiroptical Switching with a 580 mV Hysteresis Actuated Through Reversible Dimerization of an Azoniahelicene","Chem. Commun.","2017","","","","","10.1039/C7CC04903J","","","0.71073","MoKα","","0.0813","0.0628","","","0.1575","0.173","","","","","","1.024","","","","has coordinates,has disorder","198769","2020-10-21","18:00:00",""
"7120472","11.4015","0.0015","9.1595","0.0012","40.31","0.005","90","","90.2269","0.0011","90","","4209.6","0.9","150","2","150","2","","","","","","","","8","P 1 21/c 1","-P 2ybc","14","","","","- C36 H24 Cl4 Mo2 N10 Ni O4 S2 -","- C36 H24 Cl4 Mo2 N10 Ni O4 S2 -","- C144 H96 Cl16 Mo8 N40 Ni4 O16 S8 -","4","1","","Chang, Wei-Cheng; Chang, Che-Wei William; Sigrist, Marc; Hua, Shao-An; Liu, Tsai-Jung; Lee, Gene-Hsiang; Jin, Bih-Yaw; CHEN, Chun-hsien; Peng, Shie-Ming","Nonhelical heterometallic [Mo2M(npo)4(NCS)2] string complexes (M = Fe, Co, Ni) with high single-molecule conductance","Chem. Commun.","2017","","","","","10.1039/C7CC05449A","","","0.71073","MoKα","","0.087","0.0775","","","0.2273","0.2359","","","","","","1.036","","","","has coordinates,has disorder","198770","2020-10-21","18:00:00",""
"7120473","11.9978","0.0002","12.8594","0.0002","16.625","0.0003","97.5181","0.0011","105.837","0.0008","112.084","0.0008","2206.79","0.07","150","2","150","2","","","","","","","","7","P -1","-P 1","2","","","","- C43 H34 Cl2 Mo2 N14 Ni S2 -","- C43.017 H34.034 Cl2.034 Mo2 N14 Ni S2 -","- C86.034 H68.068 Cl4.068 Mo4 N28 Ni2 S4 -","2","1","","Chang, Wei-Cheng; Chang, Che-Wei William; Sigrist, Marc; Hua, Shao-An; Liu, Tsai-Jung; Lee, Gene-Hsiang; Jin, Bih-Yaw; CHEN, Chun-hsien; Peng, Shie-Ming","Nonhelical heterometallic [Mo2M(npo)4(NCS)2] string complexes (M = Fe, Co, Ni) with high single-molecule conductance","Chem. Commun.","2017","","","","","10.1039/C7CC05449A","","","0.71073","MoKα","","0.0913","0.0489","","","0.1252","0.1399","","","","","","1.088","","","","has coordinates,has disorder","198770","2020-10-21","18:00:00",""
"7120474","11.4447","0.0005","9.1848","0.0004","40.5341","0.0018","90","","90.2579","0.0009","90","","4260.8","0.3","150","2","150","2","","","","","","","","8","P 1 21/c 1","-P 2ybc","14","","","","- C36 H24 Cl4 Co Mo2 N10 O4 S2 -","- C36.001 H24.002 Cl4.002 Co Mo2 N10 O4 S2 -","- C144.004 H96.008 Cl16.008 Co4 Mo8 N40 O16 S8 -","4","1","","Chang, Wei-Cheng; Chang, Che-Wei William; Sigrist, Marc; Hua, Shao-An; Liu, Tsai-Jung; Lee, Gene-Hsiang; Jin, Bih-Yaw; CHEN, Chun-hsien; Peng, Shie-Ming","Nonhelical heterometallic [Mo2M(npo)4(NCS)2] string complexes (M = Fe, Co, Ni) with high single-molecule conductance","Chem. Commun.","2017","","","","","10.1039/C7CC05449A","","","0.71073","MoKα","","0.1462","0.0741","","","0.2356","0.2935","","","","","","0.982","","","","has coordinates,has disorder","198770","2020-10-21","18:00:00",""
"7120475","11.4437","0.0008","9.169","0.0007","40.646","0.003","90","","90.2274","0.0012","90","","4264.8","0.5","150","2","150","2","","","","","","","","8","P 1 21/c 1","-P 2ybc","14","","","","- C37 H26 Cl6 Fe Mo2 N10 O4 S2 -","- C37 H26 Cl6 Fe Mo2 N10 O4 S2 -","- C148 H104 Cl24 Fe4 Mo8 N40 O16 S8 -","4","1","","Chang, Wei-Cheng; Chang, Che-Wei William; Sigrist, Marc; Hua, Shao-An; Liu, Tsai-Jung; Lee, Gene-Hsiang; Jin, Bih-Yaw; CHEN, Chun-hsien; Peng, Shie-Ming","Nonhelical heterometallic [Mo2M(npo)4(NCS)2] string complexes (M = Fe, Co, Ni) with high single-molecule conductance","Chem. Commun.","2017","","","","","10.1039/C7CC05449A","","","0.71073","MoKα","","0.1151","0.0774","","","0.1884","0.2117","","","","","","1.024","","","","has coordinates,has disorder","198770","2020-10-21","18:00:00",""
"7120476","19.358","0.002","21.667","0.003","27.029","0.004","90","","90","","90","","11337","3","100","2","100","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C57.5 H85 N3 Si -","- C57.5 H85 N3 Si -","- C460 H680 N24 Si8 -","8","1","","Dhara, Debabrata; Vijayakanth, Thangavel; Barman, Milan Kr.; Naik, Khevath Praveen Kumar; Chrysochos, Nicolas; Yildiz, Cem B.; Boomishankar, Ramamoorthy; Schulzke, Carola; Chandrasekhar, Vadapalli; Jana, Anukul","NHC-stabilized 1-hydrosilaimine: synthesis, structure and reactivity","Chem. Commun.","2017","","","","","10.1039/C7CC03912C","","","0.71073","MoKα","","0.2216","0.116","","","0.269","0.327","","","","","","0.987","","","","has coordinates,has disorder","198796","2020-10-21","18:00:00",""
"7120477","14.73","0.006","17.458","0.008","24.128","0.01","90","","91.47","0.009","90","","6203","5","100","2","100","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C55 H81 N3 O Si -","- C55 H81 N3 O Si -","- C220 H324 N12 O4 Si4 -","4","1","","Dhara, Debabrata; Vijayakanth, Thangavel; Barman, Milan Kr.; Naik, Khevath Praveen Kumar; Chrysochos, Nicolas; Yildiz, Cem B.; Boomishankar, Ramamoorthy; Schulzke, Carola; Chandrasekhar, Vadapalli; Jana, Anukul","NHC-stabilized 1-hydrosilaimine: synthesis, structure and reactivity","Chem. Commun.","2017","","","","","10.1039/C7CC03912C","","","0.71073","MoKα","","0.1841","0.0731","","","0.1926","0.2444","","","","","","1.017","","","","has coordinates","198796","2020-10-21","18:00:00",""
"7120478","10.465","0.0011","10.678","0.001","16.0955","0.0017","90","","90","","90","","1798.6","0.3","200","2","200","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C19 H20 Cl N O2 S -","- C19 H20 Cl N O2 S -","- C76 H80 Cl4 N4 O8 S4 -","4","1","","Hatanaka, Yasuo; Nantaku, Shuuto; Nishimura, Yuhki; Otsuka, Tomoyuki; Sekikawa, Tohru","Catalytic Enantioselective Aza-Diels-Alder Reactions of Unactivated Acyclic 1,3-Dienes with Aryl-, Alkenyl-, and Alkyl-Substituted Imines","Chem. Commun.","2017","","","","","10.1039/C7CC03010J","","","0.7107","MoKα","","0.0368","0.0348","","","0.0885","0.0906","","","","","","1.082","","","","has coordinates","198812","2020-10-21","18:00:00",""
"7120479","12.1359","0.0014","14.9346","0.0018","19.614","0.002","90","","99.758","0.002","90","","3503.5","0.7","223","2","223","2","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C32 H32 B F15 N O3 P -","- C32 H32 B F15 N O3 P -","- C128 H128 B4 F60 N4 O12 P4 -","4","1","","Liu, Yizhen; Fan, Xiaoting; Li, Zhenhua; Wang, Huadong","Activation of P-H Bond by a Frustrated Lewis Pair and its Application in Catalytic Z-selective Hydrophosphonylation of Terminal Ynones","Chem. Commun.","2017","","","","","10.1039/C7CC05028C","","","0.71073","MoKα","","0.0642","0.0436","","","0.1229","0.1401","","","","","","1.03","","","","has coordinates","198813","2020-10-21","18:00:00",""
"7120480","16.66","0.002","10.3541","0.0014","19.178","0.003","90","","93.52","0.002","90","","3302","0.8","100","2","100","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","AdCAAC-CuTp","","- C36 H49 B Cu N7 -","- C36 H49 B Cu N7 -","- C144 H196 B4 Cu4 N28 -","4","1","","Hamze, Rasha; jazzar, rodolphe fouad rené; Soleilhavoup, Michele; Djurovich, Peter Ivan; Bertrand, Guy; Thompson, Mark","Phosphorescent 2‑, 3‑ and 4‑coordinate cyclic (alkyl)(amino)carbene (CAAC) Cu(I) complexes","Chem. Commun.","2017","","","","","10.1039/C7CC02638B","","","0.71073","MoKα","","0.0382","0.0339","","","0.1013","0.1036","","","","","","1.078","","","","has coordinates","198868","2020-10-21","18:00:00",""
"7120481","9.467","0.003","18.45","0.005","18.9","0.005","90","","102.788","0.004","90","","3219.3","1.6","100","2","100","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","Et2CAAC-CuTp","","- C31 H45 B Cu N7 -","- C31 H45 B Cu N7 -","- C124 H180 B4 Cu4 N28 -","4","1","","Hamze, Rasha; jazzar, rodolphe fouad rené; Soleilhavoup, Michele; Djurovich, Peter Ivan; Bertrand, Guy; Thompson, Mark","Phosphorescent 2‑, 3‑ and 4‑coordinate cyclic (alkyl)(amino)carbene (CAAC) Cu(I) complexes","Chem. Commun.","2017","","","","","10.1039/C7CC02638B","","","0.71073","MoKα","","0.0367","0.029","","","0.0735","0.0772","","","","","","1.028","","","","has coordinates","198868","2020-10-21","18:00:00",""
"7120482","8.8871","0.0007","11.1912","0.0009","28.579","0.002","84.024","0.001","84.988","0.001","71.763","0.001","2680.4","0.4","100","2","100","2","","","","","","","","5","P 1","P 1","1","IPrCuTp","IPrCuTp","","- C36 H46 B Cu N8 -","- C36 H46 B Cu N8 -","- C108 H138 B3 Cu3 N24 -","3","3","","Hamze, Rasha; jazzar, rodolphe fouad rené; Soleilhavoup, Michele; Djurovich, Peter Ivan; Bertrand, Guy; Thompson, Mark","Phosphorescent 2‑, 3‑ and 4‑coordinate cyclic (alkyl)(amino)carbene (CAAC) Cu(I) complexes","Chem. Commun.","2017","","","","","10.1039/C7CC02638B","","","0.71073","MoKα","","0.0536","0.0431","","","0.0859","0.0894","","","","","","1.041","","","","has coordinates,has disorder","198868","2020-10-21","18:00:00",""
"7120483","10.5637","0.0003","10.8714","0.0003","15.2958","0.0004","95.122","0.0013","102.872","0.0013","95.069","0.0014","1694.99","0.08","180","2","180","","","","","","","","","5","P -1","-P 1","2","","","","- C40 H42 B2 N2 O2 -","- C40 H42 B2 N2 O2 -","- C80 H84 B4 N4 O4 -","2","1","","Keyzer, Evan; Kang, Sky; Hanf, Schirin; Wright, Dominic S.","Regioselective 1,4-Hydroboration of Pyridines Catalyzed by an Acid-Initiated Boronium Cation","Chem. Commun.","2017","","","","","10.1039/C7CC04988A","","","1.54184","CuKα","","0.08","0.0604","","","0.1381","0.1525","","","","","","1.059","","","","has coordinates,has disorder","198903","2020-10-21","18:00:00",""
"7120484","10.5","0.003","11.062","0.003","20.906","0.006","97.252","0.007","101.441","0.007","112.006","0.008","2152.2","1.1","123","","123","","","","","","","","","8","P -1","-P 1","2","","","","- C43 H45 F3 N O3 P2 Rh S3 -","- C43 H45 F3 N O3 P2 Rh S3 -","- C86 H90 F6 N2 O6 P4 Rh2 S6 -","2","1","","Shibata, Takanori; Mitake, Akihito; Akiyama, Yosuke; Kanyiva, Kyalo Stephen","Sulfur-directed carbon-sulfur bond cleavage for Rh-catalyzed regioselective alkynylthiolation of alkynes","Chem. Commun.","2017","","","","","10.1039/C7CC04997H","","","0.71075","MoKα","","0.1878","0.1393","","","0.3003","0.3303","","","","","","1.055","","","","has coordinates","198904","2020-10-21","18:00:00",""
"7120485","19.827","0.007","7.782","0.003","14.742","0.006","90","","107.923","0.007","90","","2164.2","1.4","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C25 H22 N2 O3 S -","- C25 H22 N2 O3 S -","- C100 H88 N8 O12 S4 -","4","1","","Yuan, Hao; Gong, Jianxian; Yang, Zhen","Rhodium-Catalyzed Tandem Reaction of N-Sulfonyl Triazoles and Indoles: Access to Indole-Substituted Indanones","Chem. Commun.","2017","","","","","10.1039/C7CC05139E","","","1.54178","CuKα","","0.0908","0.0697","","","0.1905","0.2291","","","","","","1.149","","","","has coordinates","199005","2020-10-21","18:00:00",""
"7120486","12.2496","0.0009","15.4498","0.0004","11.5317","0.0003","90","","103.677","0.007","90","","2120.53","0.19","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C25 H22 N2 O3 S -","- C25 H22 N2 O3 S -","- C100 H88 N8 O12 S4 -","4","1","","Yuan, Hao; Gong, Jianxian; Yang, Zhen","Rhodium-Catalyzed Tandem Reaction of N-Sulfonyl Triazoles and Indoles: Access to Indole-Substituted Indanones","Chem. Commun.","2017","","","","","10.1039/C7CC05139E","","","1.54178","CuKα","","0.0514","0.0409","","","0.1004","0.1086","","","","","","1.042","","","","has coordinates","199005","2020-10-21","18:00:00",""
"7120487","12.598","0.013","15.985","0.017","12.834","0.013","90","","93.364","0.018","90","","2580","5","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C24 H27 N2 O7 P -","- C24 H27 N2 O7 P -","- C96 H108 N8 O28 P4 -","4","1","","Yu, Yan-Cheng; Kuang, Wen-Bin; Huang, Ri-Zhen; Fang, Yi-Lin; Zhang, Ye; Chen, Zhengfeng; Ma, Xian-li","Design, synthesis and pharmacological evaluation of new 2-oxo-quinoline derivatives containing α-aminophosphonates as potential antitumor agents","Med. Chem. Commun.","2017","","","","","10.1039/C7MD00098G","","","0.71073","MoKα","","0.2159","0.0724","","","0.144","0.1983","","","","","","0.934","","","","has coordinates","199033","2020-10-21","18:00:00",""
"7120488","8.0905","0.0008","11.3328","0.0017","11.78","0.004","91.967","0.017","90.537","0.014","99.464","0.01","1064.6","0.4","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C21 H24 N3 O7 P -","- C21 H24 N3 O7 P -","- C42 H48 N6 O14 P2 -","2","1","","Yu, Yan-Cheng; Kuang, Wen-Bin; Huang, Ri-Zhen; Fang, Yi-Lin; Zhang, Ye; Chen, Zhengfeng; Ma, Xian-li","Design, synthesis and pharmacological evaluation of new 2-oxo-quinoline derivatives containing α-aminophosphonates as potential antitumor agents","Med. Chem. Commun.","2017","","","","","10.1039/C7MD00098G","","","0.7107","MoKα","","0.149","0.0741","","","0.1522","0.2001","","","","","","1.037","","","","has coordinates","199033","2020-10-21","18:00:00",""
"7120489","8.405","0.002","16.66","0.003","16.156","0.003","90","","99.29","0.02","90","","2232.6","0.8","293","2","293","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C23 H26 N O5 P -","- C22 H26 N2 O5 P -","- C88 H104 N8 O20 P4 -","4","1","","Yu, Yan-Cheng; Kuang, Wen-Bin; Huang, Ri-Zhen; Fang, Yi-Lin; Zhang, Ye; Chen, Zhengfeng; Ma, Xian-li","Design, synthesis and pharmacological evaluation of new 2-oxo-quinoline derivatives containing α-aminophosphonates as potential antitumor agents","Med. Chem. Commun.","2017","","","","","10.1039/C7MD00098G","","","0.71073","MoKα","","0.1627","0.0725","","","0.1538","0.2195","","","","","","1.023","","","","has coordinates","199033","2020-10-21","18:00:00",""
"7120490","21.7945","0.0019","21.7945","0.0019","71.588","0.009","90","","90","","90","","34004","6","100","2","100","2","","","","","","","","5","I 41 c d","I 4bw -2c","110","","","","- C161 H151 Ca N35 O35 -","- C161 H49 Ca N35 O35 -","- C1288 H392 Ca8 N280 O280 -","8","0.5","","Mateus, Pedro; Wicher, Barbara; Ferrand, Yann; Huc, Ivan","Alkali and alkaline earth metal ion binding by a foldamer capsule: selective recognition of magnesium hydrate","Chem. Commun.","2017","","","","","10.1039/C7CC05422J","","","1.54178","CuKα","","0.1672","0.1364","","","0.3608","0.3932","","","","","","1.62","","","","has coordinates","199349","2020-10-21","18:00:00",""
"7120491","20.5626","0.0004","49.2607","0.0011","22.2525","0.0006","90","","105.218","0.003","90","","21749.8","0.9","100","2","100","2","","","","","","","","8","P 1 21/c 1","-P 2ybc","14","","","","- C171.57 H172.15 Cl13.45 F2.1 N35 Na O40.53 S0.7 -","- C171.572 H138 Cl13.456 F2.106 N35 Na O40.454 S0.702 -","- C686.288 H552 Cl53.824 F8.424 N140 Na4 O161.816 S2.808 -","4","1","","Mateus, Pedro; Wicher, Barbara; Ferrand, Yann; Huc, Ivan","Alkali and alkaline earth metal ion binding by a foldamer capsule: selective recognition of magnesium hydrate","Chem. Commun.","2017","","","","","10.1039/C7CC05422J","","","1.54184","CuKα","","0.21","0.1971","","","0.4819","0.4971","","","","","","3.736","","","","has coordinates,has disorder","199349","2020-10-21","18:00:00",""
"7120492","20.339","0.004","49.532","0.01","21.904","0.004","90","","103.33","0.03","90","","21472","8","100","2","100","2","","","","","","","","8","P 1 21/c 1","-P 2ybc","14","","","","- C165 H166 Cl9 F3 K N35 O35 S -","- C165 H64 Cl9 F3 K N35 O35 S -","- C660 H256 Cl36 F12 K4 N140 O140 S4 -","4","1","","Mateus, Pedro; Wicher, Barbara; Ferrand, Yann; Huc, Ivan","Alkali and alkaline earth metal ion binding by a foldamer capsule: selective recognition of magnesium hydrate","Chem. Commun.","2017","","","","","10.1039/C7CC05422J","","","1.54178","CuKα","","0.2266","0.2008","","","0.4668","0.4875","","","","","","2.734","","","","has coordinates","199349","2020-10-21","18:00:00",""
"7120493","21.682","0.0006","23.7632","0.0009","26.0862","0.0007","70.405","0.003","78.648","0.002","75.477","0.003","12163.5","0.7","100","2","100","2","","","","","","","","8","P -1","-P 1","2","","","","- C169 H171 Ba Cl18 F6 N35 O39 S2 -","- C169 H66 Ba Cl18 F6 N35 O39 S2 -","- C338 H132 Ba2 Cl36 F12 N70 O78 S4 -","2","1","","Mateus, Pedro; Wicher, Barbara; Ferrand, Yann; Huc, Ivan","Alkali and alkaline earth metal ion binding by a foldamer capsule: selective recognition of magnesium hydrate","Chem. Commun.","2017","","","","","10.1039/C7CC05422J","","","1.54178","CuKα","","0.1977","0.1517","","","0.3653","0.4009","","","","","","1.747","","","","has coordinates","199349","2020-10-21","18:00:00",""
"7120494","24.5341","0.001","10.0047","0.0004","11.5533","0.0005","90","","97.721","0.001","90","","2810.1","0.2","93","2","93","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C32 H40 N2 O3 -","- C32 H40 N2 O3 -","- C128 H160 N8 O12 -","4","1","","Ando, Yuki; Kamatsuka, Takuto; Shinokubo, Hiroshi; Miyake, Yoshihiro","Selective α-arylation of α,β-unsaturated imides mediated by a visible light photoredox catalyst","Chem. Commun.","2017","","","","","10.1039/C7CC04776B","","","0.71073","MoKα","","0.0627","0.0433","","","0.102","0.1115","","","","","","1.07","","","","has coordinates","199350","2020-10-21","18:00:00",""
"7120495","14.1916","0.0009","5.8015","0.0003","16.4573","0.0007","90","","93.438","0.005","90","","1352.53","0.12","173","2","173","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C30 H33 Br N O4 -","- C30 H33 Br N O4 -","- C60 H66 Br2 N2 O8 -","2","1","","Yuan, Wei; Zhou, Zijun; Gong, Lei; Meggers, Eric","Asymmetric alkylation of remote C(sp3)‒H bonds by combining proton-coupled electron transfer with chiral Lewis acid catalysis","Chem. Commun.","2017","","","","","10.1039/C7CC04941B","","","1.54184","CuKα","","0.1245","0.083","","","0.2551","0.348","","","","","","1.002","","","","has coordinates","199351","2020-10-21","18:00:00",""
"7120496","20.358","0.0007","7.9519","0.0014","33.16","0.003","90","","107.08","0.007","90","","5131.3","1","293","2","293","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C29 H20 Cl2 N2 Pt S2 -","- C29 H20 Cl2 N2 Pt S2 -","- C232 H160 Cl16 N16 Pt8 S16 -","8","1","","Biet, Thomas; Cauchy, Thomas; Sun, Qinchao; Ding, Jie; Hauser, Andreas; Oulevey, Patric; Bürgi, Thomas; Jacquemin, Denis; Vanthuyne, Nicolas; Crassous, Jeanne; Avarvari, Narcis","Triplet state CPL active helicene-dithiolene platinum bipyridine complexes","Chem. Commun.","2017","","","","","10.1039/C7CC05198K","","","0.71073","MoKα","","0.0483","0.0336","","","0.0733","0.0793","","","","","","1.215","","","","has coordinates","199352","2020-10-21","18:00:00",""
"7120497","21.1835","0.0003","21.2582","0.0003","27.7753","0.0004","90","","90","","90","","12507.9","0.3","150","0.1","150","0.1","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C42 H44 N2 Pt S2 -","- C36 H22 N2 Pt S2 -","- C576 H352 N32 Pt16 S32 -","16","4","","Biet, Thomas; Cauchy, Thomas; Sun, Qinchao; Ding, Jie; Hauser, Andreas; Oulevey, Patric; Bürgi, Thomas; Jacquemin, Denis; Vanthuyne, Nicolas; Crassous, Jeanne; Avarvari, Narcis","Triplet state CPL active helicene-dithiolene platinum bipyridine complexes","Chem. Commun.","2017","","","","","10.1039/C7CC05198K","","x-ray","1.54184","CuKα","","0.0481","0.0386","","","0.0924","0.1017","","","","","","1.051","","","","has coordinates","203412","2020-10-21","18:00:00",""
"7120498","9.7082","0.0005","10.502","0.0006","13.598","0.0009","85.164","0.005","77.659","0.005","88.955","0.004","1349.53","0.14","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C36 H22 N2 Pt S2 -","- C36 H22 N2 Pt S2 -","- C72 H44 N4 Pt2 S4 -","2","1","","Biet, Thomas; Cauchy, Thomas; Sun, Qinchao; Ding, Jie; Hauser, Andreas; Oulevey, Patric; Bürgi, Thomas; Jacquemin, Denis; Vanthuyne, Nicolas; Crassous, Jeanne; Avarvari, Narcis","Triplet state CPL active helicene-dithiolene platinum bipyridine complexes","Chem. Commun.","2017","","","","","10.1039/C7CC05198K","","","0.71073","MoKα","","0.0871","0.0461","","","0.0699","0.0818","","","","","","1.072","","","","has coordinates","199352","2020-10-21","18:00:00",""
"7120499","4.8058","0.0002","5.4704","0.0003","31.7944","0.0016","90","","90.687","0.004","90","","835.8","0.07","293","2","297.09","0.1","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","C9N3O2H7","","- C9 H7 N3 O2 -","- C9 H7 N3 O2 -","- C36 H28 N12 O8 -","4","1","","Zhang, Ning-Ning; Sun, Cai; Jiang, Xiao-Ming; Xing, Xiu-Shuang; Yan, Yong; Cai, Li-Zhen; Wang, Ming-Sheng; Guo, Guo-Cong","Single-Component Small-Molecule White Light Organic Phosphors","Chem. Commun.","2017","","","","","10.1039/C7CC05446G","","","1.5418","CuKα","","0.047","0.0423","","","0.127","0.1359","","","","","","1.041","","","","has coordinates","199354","2020-10-21","18:00:00",""
"7120500","4.0343","0.0006","20.902","0.003","10.871","0.002","90","","96.641","0.017","90","","910.5","0.3","294.6","1","294.6","1","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C10 H9 N3 O -","- C10 H9 N3 O -","- C40 H36 N12 O4 -","4","1","","Zhang, Ning-Ning; Sun, Cai; Jiang, Xiao-Ming; Xing, Xiu-Shuang; Yan, Yong; Cai, Li-Zhen; Wang, Ming-Sheng; Guo, Guo-Cong","Single-Component Small-Molecule White Light Organic Phosphors","Chem. Commun.","2017","","","","","10.1039/C7CC05446G","","","0.71073","CuKα","","0.2006","0.1565","","","0.422","0.4744","","","","","","1.221","","","","has coordinates","199354","2020-10-21","18:00:00",""
"7120501","35.309","0.003","35.309","0.003","43.609","0.004","90","","90","","90","","54368","8","100","2","100","2","","","","","","","","5","I 4/m","-I 4","87","","","","- C496 H376 Cu24 N8 O224 -","- C496 H376 Cu24 N8 O224 -","- C992 H752 Cu48 N16 O448 -","2","0.125","","Bae, Jaeyeon; Baek, Kangkyun; Yuan, Daqiang; Kim, Wooram; Kim, Kimoon; Zhou, Hong-Cai; Park, Jinhee","Reversible Photoreduction of Cu(II)-Coumarin Metal-Organic Polyhedra","Chem. Commun.","2017","","","","","10.1039/C7CC04799A","","","0.71073","MoKα","","0.1418","0.0674","","","0.1714","0.2527","","","","","","1.111","","","","has coordinates,has disorder","199355","2020-10-21","18:00:00",""
"7120502","17.7028","0.0006","9.2443","0.0003","16.1623","0.0006","90","","90","","90","","2644.96","0.16","103","2","103","2","","","","","","","","5","P n a 21","P 2c -2n","33","Cu(CHDAP)(NO3)2","","","- C26 H36 Cu N6 O6 -","- C26 H36 Cu N6 O6 -","- C104 H144 Cu4 N24 O24 -","4","1","","Kim, Bohee; Jeong, Donghyun; Cho, Jaeheung","Nucleophilic Reactivity of Copper(II)-Alkylperoxo Complexes","Chem. Commun.","2017","","","","","10.1039/C7CC03965D","","","0.71073","MoKa","","0.0524","0.0404","","","0.1239","0.1411","","","","","","1.163","","","","has coordinates","199375","2020-10-21","18:00:00",""
"7120503","18.9494","0.0012","23.0427","0.0013","17.9917","0.001","90","","90","","90","","7856","0.8","143","2","143","2","","","","","","","","6","P b c n","-P 2n 2ab","60","Cu(CHDAP)(BPh4)2","","","- C86 H99 B2 Cu N6 O2 -","- C86 H99 B2 Cu N6 O2 -","- C344 H396 B8 Cu4 N24 O8 -","4","0.5","","Kim, Bohee; Jeong, Donghyun; Cho, Jaeheung","Nucleophilic Reactivity of Copper(II)-Alkylperoxo Complexes","Chem. Commun.","2017","","","","","10.1039/C7CC03965D","","","0.71073","MoKa","","0.0768","0.0538","","","0.1468","0.167","","","","","","1.165","","","","has coordinates","199375","2020-10-21","18:00:00",""
"7120504","18.886","0.004","11.516","0.002","18.802","0.004","90","","90","","90","","4089.3","1.4","103","","103","","","","","","","","","6","P n a 21","P 2c -2n","33","","","","- C42 H67 Li N2 O3 Si -","- C42 H67 Li N2 O3 Si -","- C168 H268 Li4 N8 O12 Si4 -","4","1","","Feuerstein, Thomas J.; Poß, Marieke; Seifert, Tim P.; Bestgen, Sebastian; Feldmann, Claus; Roesky, Peter W.","A highly luminescent octanuclear gold(i) carbide cluster","Chem. Commun.","2017","","","","","10.1039/C7CC04171C","","","0.71073","MoKα","","0.0779","0.0481","","","0.0845","0.0936","","","","","","0.982","","","","has coordinates","199376","2020-10-21","18:00:00",""
"7120505","10.483","0.002","14.626","0.003","14.711","0.003","62.81","0.03","71.94","0.03","79.18","0.03","1904.6","0.9","200","","200","","","","","","","","","5","P -1","-P 1","2","","","","- C60 H86 Au2 N4 Si2 -","- C60 H86 Au2 N4 Si2 -","- C60 H86 Au2 N4 Si2 -","1","0.5","","Feuerstein, Thomas J.; Poß, Marieke; Seifert, Tim P.; Bestgen, Sebastian; Feldmann, Claus; Roesky, Peter W.","A highly luminescent octanuclear gold(i) carbide cluster","Chem. Commun.","2017","","","","","10.1039/C7CC04171C","","x-ray","0.71073","MoKα","","0.0429","0.0319","","","0.0655","0.0668","","","","","","0.819","","","","has coordinates,has disorder","199376","2020-10-21","18:00:00",""
"7120506","16.4652","0.0003","18.7339","0.0003","25.4701","0.0005","90","","98.247","0.002","90","","7775.2","0.2","110","","110","","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C134 H192 Au8 Cl4 N8 S2 Si4 -","- C134 H192 Au8 Cl4 N8 S2 Si4 -","- C268 H384 Au16 Cl8 N16 S4 Si8 -","2","0.5","","Feuerstein, Thomas J.; Poß, Marieke; Seifert, Tim P.; Bestgen, Sebastian; Feldmann, Claus; Roesky, Peter W.","A highly luminescent octanuclear gold(i) carbide cluster","Chem. Commun.","2017","","","","","10.1039/C7CC04171C","","","0.71073","MoKα","","0.0547","0.0355","","","0.0668","0.0697","","","","","","0.883","","","","has coordinates,has disorder","199376","2020-10-21","18:00:00",""
"7120507","8.5765","0.0002","19.1304","0.0005","10.1094","0.0003","90","","92.394","0.001","90","","1657.22","0.08","100","2","100","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C22 H13 N O3 -","- C22 H13 N O3 -","- C88 H52 N4 O12 -","4","1","","Bansode, Avinash H.; Shaikh, Samir R.; Gonnade, Rajesh G.; Patil, Nitin T.","Intramolecular ipso-arylative cyclization of aryl-alkynoates and N-arylpropiolamides with aryldiazonium salts through merged gold/visible light photoredox catalysis","Chem. Commun.","2017","","","","","10.1039/C7CC04010E","","","0.71073","MoKα","","0.0361","0.033","","","0.0763","0.0795","","","","","","0.884","","","","has coordinates","199392","2020-10-21","18:00:00",""
"7120508","8.4218","0.0003","19.7062","0.0006","10.0798","0.0003","90","","93.053","0.001","90","","1670.49","0.09","100","2","100","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C21 H13 N O5 -","- C21 H13 N O5 -","- C84 H52 N4 O20 -","4","1","","Bansode, Avinash H.; Shaikh, Samir R.; Gonnade, Rajesh G.; Patil, Nitin T.","Intramolecular ipso-arylative cyclization of aryl-alkynoates and N-arylpropiolamides with aryldiazonium salts through merged gold/visible light photoredox catalysis","Chem. Commun.","2017","","","","","10.1039/C7CC04010E","","","0.71073","MoKα","","0.0357","0.0342","","","0.0802","0.0814","","","","","","1.031","","","","has coordinates","199392","2020-10-21","18:00:00",""
"7120509","13.0187","0.0003","6.5549","0.0001","20.3272","0.0005","90","","103.393","0.001","90","","1687.47","0.06","100","2","100","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C22 H16 O3 -","- C22 H16 O3 -","- C88 H64 O12 -","4","1","","Bansode, Avinash H.; Shaikh, Samir R.; Gonnade, Rajesh G.; Patil, Nitin T.","Intramolecular ipso-arylative cyclization of aryl-alkynoates and N-arylpropiolamides with aryldiazonium salts through merged gold/visible light photoredox catalysis","Chem. Commun.","2017","","","","","10.1039/C7CC04010E","","","0.71073","MoKα","","0.038","0.0358","","","0.1002","0.102","","","","","","1.066","","","","has coordinates","199392","2020-10-21","18:00:00",""
"7120510","26.0409","0.0004","26.3363","0.0003","25.2441","0.0004","90","","113.554","0.002","90","","15870.5","0.5","100","2","100","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C124 H232 O44 Ti12 -","- C124 H232 O44 Ti12 -","- C496 H928 O176 Ti48 -","4","1","","Su, Kongzhao; Wu, Mingyan; Tan, Yan-Xi; Wang, Wenjing; Yuan, Daqiang; Hong, Maochun","Monomeric bowl-like pyrogallol[4]arene Ti12 coordination complex","Chem. Commun.","2017","","","","","10.1039/C7CC05362B","","","1.54184","CuKα","","0.1063","0.0725","","","0.1942","0.2294","","","","","","1.03","","","","has coordinates","199445","2020-10-21","18:00:00",""
"7120511","10.5368","0.0003","10.0023","0.0002","15.9591","0.0005","90","","103.66","0.003","90","","1634.39","0.08","293","2","293","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C19 H17 N2 O2 -","- C18 H17 N3 O2 -","- C72 H68 N12 O8 -","4","1","","Wang, Hongyu; Ren, Yanfei; Wang, Kaiye; Man, Yunquan; Xiang, Yanan; Li, Na; Tang, Bo","Visible Light-Induced Cyclization Reactions for the Synthesis of 1,2,4-triazolines and 1,2,4-Triazoles","Chem. Commun.","2017","","","","","10.1039/C7CC04911K","","","1.54184","CuKα","","0.0513","0.0443","","","0.1147","0.1225","","","","","","1.066","","","","has coordinates","199446","2020-10-21","18:00:00",""
"7120512","9.3351","0.0018","12.808","0.003","23.398","0.005","97.096","0.004","100.183","0.005","92.627","0.004","2725.8","1","150","0.2","150","0.2","","","","","","","","6","P -1","-P 1","2","","","","- C55 H43 F12 N11 P2 Ru -","- C55 H43 F12 N11 P2 Ru -","- C110 H86 F24 N22 P4 Ru2 -","2","1","","Laramee-Milette, Baptiste; Hanan, Garry","Going against the flow: Os(II)-to-Ru(II) energy transfer in rod-like polypyridyl chromophore","Chem. Commun.","2017","","","","","10.1039/C7CC03541A","","","1.34139","GaKα","","0.2783","0.147","","","0.328","0.4138","","","","","","1.076","","","","has coordinates,has disorder","199475","2020-10-21","18:00:00",""
"7120513","6.1323","0.0006","20.344","0.002","18.6285","0.0017","90","","91.478","0.005","90","","2323.2","0.4","150","2","150","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C24 H10 B F15 -","- C24 H10 B F15 -","- C96 H40 B4 F60 -","4","1","","Tsao, Fu An; Sathaseevan, Anson; Zhu, Hui; Grimme, Stefan; Erker, Gerhard; Stephan, Douglas W.","Stoichiometric and catalytic isomerization of alkenylboranes using bulky Lewis bases","Chem. Commun.","2017","","","","","10.1039/C7CC04904H","","","0.71073","MoKα","","0.0895","0.0445","","","0.0994","0.125","","","","","","1.045","","","","has coordinates","199503","2020-10-21","18:00:00",""
"7120514","14.1455","0.0013","16.62","0.0017","18.0982","0.0017","90","","90","","90","","4254.9","0.7","150","2","150","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C22 H6 B F15 O -","- C22 H6 B F15 O -","- C176 H48 B8 F120 O8 -","8","1","","Tsao, Fu An; Sathaseevan, Anson; Zhu, Hui; Grimme, Stefan; Erker, Gerhard; Stephan, Douglas W.","Stoichiometric and catalytic isomerization of alkenylboranes using bulky Lewis bases","Chem. Commun.","2017","","","","","10.1039/C7CC04904H","","","0.71073","MoKα","","0.0797","0.0567","","","0.1339","0.1487","","","","","","1.046","","","","has coordinates","199503","2020-10-21","18:00:00",""
"7120515","19.592","0.008","9.749","0.003","11.697","0.004","90","","90","","90","","2234.2","1.4","150","2","150","2","","","","","","","","4","P c a 21","P 2c -2ac","29","","","","- C23 H8 B F15 -","- C23 H8 B F15 -","- C92 H32 B4 F60 -","4","1","","Tsao, Fu An; Sathaseevan, Anson; Zhu, Hui; Grimme, Stefan; Erker, Gerhard; Stephan, Douglas W.","Stoichiometric and catalytic isomerization of alkenylboranes using bulky Lewis bases","Chem. Commun.","2017","","","","","10.1039/C7CC04904H","","","0.71073","MoKα","","0.0869","0.0506","","","0.1134","0.1365","","","","","","1.03","","","","has coordinates","199503","2020-10-21","18:00:00",""
"7120516","6.8364","0.0002","11.9343","0.0004","27.7283","0.0009","90","","90","","90","","2262.29","0.12","100","0.1","100","0.1","","","","","","","","6","P b c a","-P 2ac 2ab","61","","","","- C18 H20 N2 Na2 O14 S2 -","- C18 H20 N2 Na2 O14 S2 -","- C72 H80 N8 Na8 O56 S8 -","4","0.5","","Liao, Jian-Zhen; Chang, Jian-Fei; Meng, Lingyi; Zhang, Hai-Long; Wang, Sa-Sa; Lu, Can-Zhong","Lone pair-π interaction-induced generation of photochromic coordination networks with photoswitchable conductance","Chem. Commun.","2017","","","","","10.1039/C7CC05150F","","x-ray","1.54184","CuKα","","0.0304","0.0286","","","0.0791","0.0811","","","","","","1.039","","","","has coordinates","291143","2024-04-09","08:48:55",""
"7120517","11.9694","0.0003","11.9694","0.0003","13.1021","0.0004","90","","90","","90","","1877.09","0.09","120","2","120","2","","","","","","","","6","I 4/m","-I 4","87","","Mn2MoN3","","- C8 H12 Mn2 Mo N12 O5 -","- C8 H12 Mn2 Mo N12 O5 -","- C32 H48 Mn8 Mo4 N48 O20 -","4","0.25","","Handzlik, Gabriela; Kozieł, Marcin; Olejniczak, Anna; Sieklucka, Barbara; Pinkowicz, Dawid","Cyanide vs azide ""magnetic arm wrestling"": MnII-NbIV and MnII-MoIV magnetic coordination polymers with mixed bridging","Chem. Commun.","2017","","","","","10.1039/C7CC05319C","","","0.71073","MoKα","","0.0259","0.0208","","","0.0461","0.0476","","","","","","1.033","","","","has coordinates","199622","2020-10-21","18:00:00",""
"7120518","12.0837","0.0003","12.0837","0.0003","13.3147","0.0003","90","","90","","90","","1944.16","0.08","170","2","170","2","","","","","","","","6","I 4/m","-I 4","87","","Mn2NbN3","","- C8 H12 Mn2 N12 Nb O5 -","- C8 H12 Mn2 N12 Nb O5 -","- C32 H48 Mn8 N48 Nb4 O20 -","4","0.25","","Handzlik, Gabriela; Kozieł, Marcin; Olejniczak, Anna; Sieklucka, Barbara; Pinkowicz, Dawid","Cyanide vs azide ""magnetic arm wrestling"": MnII-NbIV and MnII-MoIV magnetic coordination polymers with mixed bridging","Chem. Commun.","2017","","","","","10.1039/C7CC05319C","","","0.71073","MoKα","","0.0363","0.0344","","","0.0723","0.0731","","","","","","1.13","","","","has coordinates","199622","2020-10-21","18:00:00",""
"7120519","8.7768","0.0004","8.7768","0.0004","19.3349","0.0009","90","","90","","120","","1289.87","0.1","100","2","100","2","","","","","","","","3","P 65","P 65","170","","","","- C12 H6 O3 -","- C12 H6 O3 -","- C72 H36 O18 -","6","1","","Ferreira, Renan B.; Figueroa, Jose M.; Fagnani, Danielle E.; Abboud, Khalil A.; Castellano, Ronald K.","Benzotrifuran (BTFuran): a building block for π-conjugated systems","Chem. Commun.","2017","","","","","10.1039/C7CC04505K","","","0.71073","MoKα","","0.0313","0.0299","","","0.0783","0.0789","","","","","","1.11","","","","has coordinates","199623","2020-10-21","18:00:00",""
"7120520","8.0345","0.0002","12.6015","0.0004","9.2114","0.0003","90","","107.576","0.003","90","","889.09","0.05","290.64","0.1","290.64","0.1","","","","","","","","3","P 1 21 1","P 2yb","4","","butyl (aR)-3,6-dihydroxy-2-(2-hydroxynaphthalen-1-yl)benzoate","","- C21 H20 O5 -","- C21 H20 O5 -","- C42 H40 O10 -","2","1","","Xu, Chaoran; Zheng, Haifeng; Hu, Bowen; Liu, Xiaohua; Lin, Lili; Feng, Xiaoming","Chiral Cobalt(II) Complex Catalyzed Friedel-Crafts-Aromatization for Synthesis of Axially Chiral Biaryldiols","Chem. Commun.","2017","","","","","10.1039/C7CC05266A","","x-ray","1.54184","CuKα","","0.0521","0.0513","","","0.1314","0.133","","","","","","1.043","","","","has coordinates","199624","2020-10-21","18:00:00",""
"7120521","12.6288","0.0008","16.6036","0.0007","13.9577","0.0008","90","","90.375","0.005","90","","2926.6","0.3","143","0.1","143","0.1","","","","","","","","6","P 1 21 1","P 2yb","4","","L-RaPr2/Co(ClO4)2?6H2O complex","","- C51 H80 Cl2 Co N4 O14 -","- C51 H80 Cl2 Co N4 O14 -","- C102 H160 Cl4 Co2 N8 O28 -","2","1","","Xu, Chaoran; Zheng, Haifeng; Hu, Bowen; Liu, Xiaohua; Lin, Lili; Feng, Xiaoming","Chiral Cobalt(II) Complex Catalyzed Friedel-Crafts-Aromatization for Synthesis of Axially Chiral Biaryldiols","Chem. Commun.","2017","","","","","10.1039/C7CC05266A","","x-ray","0.71073","MoKα","","0.0991","0.0698","","","0.1768","0.1959","","","","","","0.99","","","","has coordinates","199624","2020-10-21","18:00:00",""
"7120522","14.3939","0.0017","9.0882","0.0011","14.4576","0.0017","90","","107.205","0.004","90","","1806.6","0.4","100","2","100","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C17 H20 N8 O5 -","- C17 H20 N8 O5 -","- C68 H80 N32 O20 -","4","1","","Weckenmann, Nicole Margrita; Maichle-Moessmer , Caecilia; Nachtsheim, Boris Johannes","Template-assisted photodimerization of N-unprotected uracil derivatives - Selective formation of the cis-syn photodimer","Chem. Commun.","2017","","","","","10.1039/C7CC05353C","","","0.71073","MoKα","","0.0766","0.0488","","","0.1046","0.1141","","","","","","1.068","","","","has coordinates","199625","2020-10-21","18:00:00",""
"7120523","7.9316","0.001","8.1627","0.001","16.285","0.002","81.196","0.005","78.977","0.006","74.965","0.005","993.5","0.2","100","2","100","2","","","","","","","","4","P -1","-P 1","2","","","","- C16 H22 N8 O7 -","- C16 H22 N8 O7 -","- C32 H44 N16 O14 -","2","1","","Weckenmann, Nicole Margrita; Maichle-Moessmer , Caecilia; Nachtsheim, Boris Johannes","Template-assisted photodimerization of N-unprotected uracil derivatives - Selective formation of the cis-syn photodimer","Chem. Commun.","2017","","","","","10.1039/C7CC05353C","","","0.71073","MoKα","","0.0627","0.0429","","","0.0984","0.11","","","","","","1.015","","","","has coordinates,has disorder","199625","2020-10-21","18:00:00",""
"7120524","9.1931","0.0005","11.6107","0.0006","12.2025","0.0006","76.78","0.002","86.549","0.002","67.313","0.002","1169.28","0.11","100","","100","","","","","","","","","7","P -1","-P 1","2","","","","- C22 H34 N O3 P Pd S -","- C22 H34 N O3 P Pd S -","- C44 H68 N2 O6 P2 Pd2 S2 -","2","1","","Allouche, Emmanuelle M. D.; Taillemaud, Sylvain; Charette, André B.","Spectroscopic Characterization of Diiodomethylzinc Iodide: Application to the Stereoselective Synthesis and Functionalization of Iodocyclopropanes","Chem. Commun.","2017","","","","","10.1039/C7CC04348A","","x-ray","1.34139","GaKα","","0.0264","0.0259","","","0.0659","0.0663","","","","","","1.075","","","","has coordinates","199626","2020-10-21","18:00:00",""
"7120525","10.2091","0.0012","11.2996","0.0005","16.684","0.0004","90","","90","","90","","1924.6","0.2","298","2","298","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C20 H25 Cl N4 Ni -","- C20 H25 Cl N4 Ni -","- C80 H100 Cl4 N16 Ni4 -","4","1","","Cope, James D.; Liyanage, Nalaka P.; Kelley, Paul J.; Denny, Jason A.; Valente, Edward J.; Webster, Charles Edwin; Delcamp, Jared H.; Hollis, T. Keith","Electrocatalytic reduction of CO2 with CCC-NHC pincer nickel complexes","Chem. Commun.","2017","","","","","10.1039/C6CC06537F","","x-ray","0.71073","MoKα","","0.0449","0.031","","","0.0686","0.071","","","","","","0.908","","","","has coordinates,has disorder","199686","2020-10-21","18:00:00",""
"7120526","9.0649","0.0008","11.8003","0.0009","22.1082","0.0017","90","","92.82","0.003","90","","2362","0.3","100","","100","","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C22 H28 F6 N5 Ni P -","- C22 H28 F6 N5 Ni P -","- C88 H112 F24 N20 Ni4 P4 -","4","1","","Cope, James D.; Liyanage, Nalaka P.; Kelley, Paul J.; Denny, Jason A.; Valente, Edward J.; Webster, Charles Edwin; Delcamp, Jared H.; Hollis, T. Keith","Electrocatalytic reduction of CO2 with CCC-NHC pincer nickel complexes","Chem. Commun.","2017","","","","","10.1039/C6CC06537F","","","0.71073","MoKα","","0.0588","0.0394","","","0.0854","0.0931","","","","","","1.03","","","","has coordinates","199686","2020-10-21","18:00:00",""
"7120527","9.8944","0.0011","11.3015","0.0013","16.6259","0.0019","90","","90","","90","","1859.1","0.4","100","","100","","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C20 H25 Cl N4 Ni -","- C20 H25 Cl N4 Ni -","- C80 H100 Cl4 N16 Ni4 -","4","1","","Cope, James D.; Liyanage, Nalaka P.; Kelley, Paul J.; Denny, Jason A.; Valente, Edward J.; Webster, Charles Edwin; Delcamp, Jared H.; Hollis, T. Keith","Electrocatalytic reduction of CO2 with CCC-NHC pincer nickel complexes","Chem. Commun.","2017","","","","","10.1039/C6CC06537F","","","0.71073","MoKα","","0.0382","0.0307","","","0.0608","0.0628","","","","","","1.064","","","","has coordinates,has disorder","199686","2020-10-21","18:00:00",""
"7120528","12.0148","0.001","12.4531","0.0011","15.4631","0.0015","95.007","0.008","105.069","0.008","93.255","0.007","2217.9","0.4","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C94 H134 B2 K2 O16 -","- C94 H134 B2 K2 O16 -","- C94 H134 B2 K2 O16 -","1","0.5","","Yu, Lirong; Li, Yanglizhi; Wang, Xi; Wang, Xingyong; Zhou, Panpan; Jiang, ShangDa; pan, xiaobo","Consecutive reduction, radical-cyclization, and oxidative-dehydrogenation reaction of ortho-substituted diboryl compound","Chem. Commun.","2017","","","","","10.1039/C7CC05689C","","","0.71073","MoKα","","0.2134","0.0926","","","0.15","0.2156","","","","","","0.995","","","","has coordinates","199687","2020-10-21","18:00:00",""
"7120529","15.3919","0.0007","8.1281","0.0004","20.3055","0.0013","90","","92.736","0.005","90","","2537.5","0.2","290.56","0.1","290.56","0.1","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C56 H58 B2 Cl6 -","- C56 H58 B2 Cl6 -","- C112 H116 B4 Cl12 -","2","0.5","","Yu, Lirong; Li, Yanglizhi; Wang, Xi; Wang, Xingyong; Zhou, Panpan; Jiang, ShangDa; pan, xiaobo","Consecutive reduction, radical-cyclization, and oxidative-dehydrogenation reaction of ortho-substituted diboryl compound","Chem. Commun.","2017","","","","","10.1039/C7CC05689C","","x-ray","0.71073","MoKα","","0.0957","0.0602","","","0.129","0.1554","","","","","","1.034","","","","has coordinates","199687","2020-10-21","18:00:00",""
"7120530","12.8138","0.0005","13.8501","0.0006","16.3243","0.0007","104.712","0.004","107.141","0.004","103.546","0.004","2523.5","0.2","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C102 H152 B2 K2 O18 -","- C102 H152 B2 K2 O18 -","- C102 H152 B2 K2 O18 -","1","0.5","","Yu, Lirong; Li, Yanglizhi; Wang, Xi; Wang, Xingyong; Zhou, Panpan; Jiang, ShangDa; pan, xiaobo","Consecutive reduction, radical-cyclization, and oxidative-dehydrogenation reaction of ortho-substituted diboryl compound","Chem. Commun.","2017","","","","","10.1039/C7CC05689C","","","0.71073","MoKα","","0.1337","0.0894","","","0.2362","0.2779","","","","","","1.045","","","","has coordinates,has disorder","199687","2020-10-21","18:00:00",""
"7120531","12.2166","0.0009","12.8705","0.0012","13.0567","0.0012","72.277","0.008","70.112","0.007","67.341","0.008","1745.6","0.3","291.43","0.1","291.43","0.1","","","","","","","","5","P -1","-P 1","2","","","","- C78 H104 B2 K2 O6 -","- C78 H104 B2 K2 O6 -","- C78 H104 B2 K2 O6 -","1","0.5","","Yu, Lirong; Li, Yanglizhi; Wang, Xi; Wang, Xingyong; Zhou, Panpan; Jiang, ShangDa; pan, xiaobo","Consecutive reduction, radical-cyclization, and oxidative-dehydrogenation reaction of ortho-substituted diboryl compound","Chem. Commun.","2017","","","","","10.1039/C7CC05689C","","","0.71073","MoKα","","0.1273","0.0673","","","0.1448","0.183","","","","","","1.025","","","","has coordinates","199687","2020-10-21","18:00:00",""
"7120532","29.06","0.007","25.535","0.006","17.029","0.005","90","","93.26","0.02","90","","12616","6","100","2","100","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","P3R1C4, Co, py, NO3","C-butylpyrogallol[3]resorcin[1]arene, cobalt, pyridine, nitrate","","- C129 H125 Co7 N10 O31 -","- C129 H125 Co7 N10 O31 -","- C516 H500 Co28 N40 O124 -","4","0.5","","Zhang, Chen; Sikligar, Kanishka; Patil, Rahul S.; Barnes, Charles L.; Teat, Simon; Atwood, Jerry L.","Self-assembly of M7L2 Metal-Organic Nanocapsules Using Mixed Macrocycles","Chem. Commun.","2017","","","","","10.1039/C7CC06099H","","","1.54184","CuKα","","0.2504","0.1639","","","0.3985","0.4444","","","","","","1.464","","","","has coordinates","199688","2020-10-21","18:00:00",""
"7120533","28.6437","0.0012","25.887","0.001","16.8049","0.0006","90","","90.588","0.002","90","","12460.2","0.8","100","2","100","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","P3R1C3, Zn, py, NO3","C-propylpyrogallol[3]resorcin[1]arene, zinc, pyridine, nitrate","","- C123 H109 N9 O28 Zn7 -","- C123 H109 N9 O28 Zn7 -","- C492 H436 N36 O112 Zn28 -","4","0.5","","Zhang, Chen; Sikligar, Kanishka; Patil, Rahul S.; Barnes, Charles L.; Teat, Simon; Atwood, Jerry L.","Self-assembly of M7L2 Metal-Organic Nanocapsules Using Mixed Macrocycles","Chem. Commun.","2017","","","","","10.1039/C7CC06099H","","","1.54178","CuKα","","0.1631","0.132","","","0.4146","0.4675","","","","","","2.074","","","","has coordinates","199688","2020-10-21","18:00:00",""
"7120534","13.9953","0.0005","14.6819","0.0006","23.9801","0.0009","90","","97.849","0.002","90","","4881.2","0.3","298","2","298","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C49 H62 B Cl2 Co2 N S2 -","- C49 H62 B Cl2 Co2 N S2 -","- C196 H248 B4 Cl8 Co8 N4 S8 -","4","1","","Zhang, Yixin; Tong, Peng; Yang, Dawei; Li, Jianzhe; Wang, Baomin; Qu, Jingping","Migratory Insertion and Hydrogenation of a Bridging Azide in Thiolate-Bridged Dicobalt Reaction Platform","Chem. Commun.","2017","","","","","10.1039/C7CC05092E","","","0.71073","MoKα","","0.128","0.0695","","","0.1478","0.17","","","","","","1.026","","","","has coordinates","199709","2020-10-21","18:00:00",""
"7120535","8.8838","0.0002","21.806","0.0006","25.6046","0.0006","83.646","0.001","80.261","0.001","86.086","0.002","4852.4","0.2","298","2","298","2","","","","","","","","8","P -1","-P 1","2","","","","- C49.5 H61 B Cl Co2 I O S2 -","- C49.5 H60 B Cl Co2 I O S2 -","- C198 H240 B4 Cl4 Co8 I4 O4 S8 -","4","2","","Zhang, Yixin; Tong, Peng; Yang, Dawei; Li, Jianzhe; Wang, Baomin; Qu, Jingping","Migratory Insertion and Hydrogenation of a Bridging Azide in Thiolate-Bridged Dicobalt Reaction Platform","Chem. Commun.","2017","","","","","10.1039/C7CC05092E","","","0.71073","MoKα","","0.0701","0.0504","","","0.1226","0.1297","","","","","","1.015","","","","has coordinates,has disorder","199709","2020-10-21","18:00:00",""
"7120536","9.675","0.003","17.641","0.005","26.834","0.007","90","","90","","90","","4580","2","298","2","298","2","","","","","","","","6","P b c m","-P 2c 2b","57","","","","- C48 H62 B Co2 N3 S2 -","- C48 H62 B Co2 N3 S2 -","- C192 H248 B4 Co8 N12 S8 -","4","0.5","","Zhang, Yixin; Tong, Peng; Yang, Dawei; Li, Jianzhe; Wang, Baomin; Qu, Jingping","Migratory Insertion and Hydrogenation of a Bridging Azide in Thiolate-Bridged Dicobalt Reaction Platform","Chem. Commun.","2017","","","","","10.1039/C7CC05092E","","","0.71073","MoKα","","0.0654","0.0473","","","0.133","0.1484","","","","","","1.049","","","","has coordinates","199709","2020-10-21","18:00:00",""
"7120537","19.185","0.002","11.4028","0.0013","16.908","0.002","90","","99.636","0.002","90","","3646.7","0.7","298","2","298","2","","","","","","","","7","C 1 2/c 1","-C 2yc","15","","","","- C28 H46 Co2 F12 N2 P2 S2 -","- C28 H46 Co2 F12 N2 P2 S2 -","- C112 H184 Co8 F48 N8 P8 S8 -","4","0.5","","Zhang, Yixin; Tong, Peng; Yang, Dawei; Li, Jianzhe; Wang, Baomin; Qu, Jingping","Migratory Insertion and Hydrogenation of a Bridging Azide in Thiolate-Bridged Dicobalt Reaction Platform","Chem. Commun.","2017","","","","","10.1039/C7CC05092E","","","0.71073","MoKα","","0.0564","0.0414","","","0.1039","0.1104","","","","","","1.05","","","","has coordinates,has disorder","199709","2020-10-21","18:00:00",""
"7120538","9.635","0.0006","32.469","0.002","14.6586","0.0009","90","","91.9523","0.0014","90","","4583.1","0.5","173","2","173","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C48 H60 B Co2 N3 S2 -","- C48 H60 B Co2 N3 S2 -","- C192 H240 B4 Co8 N12 S8 -","4","1","","Zhang, Yixin; Tong, Peng; Yang, Dawei; Li, Jianzhe; Wang, Baomin; Qu, Jingping","Migratory Insertion and Hydrogenation of a Bridging Azide in Thiolate-Bridged Dicobalt Reaction Platform","Chem. Commun.","2017","","","","","10.1039/C7CC05092E","","","0.71073","MoKα","","0.0484","0.0391","","","0.0993","0.1037","","","","","","0.923","","","","has coordinates,has disorder","199709","2020-10-21","18:00:00",""
"7120539","10.152","0.003","10.449","0.003","30.517","0.009","90","","90","","90","","3237.2","1.6","296","2","296","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C29 H46 F3 N3 O Si3 -","- C29 H46 F3 N3 O Si3 -","- C116 H184 F12 N12 O4 Si12 -","4","1","","Swamy, V.S.V.S.N.; Parvin, Nasrina; Vipin Raj, K.; Vanka, Kumar; Sen, Sakya Singha","C(sp3)‒F, C(sp2)‒F and C(sp3)‒H bond activation at silicon(II) center","Chem. Commun.","2017","","","","","10.1039/C7CC05145J","","","0.71073","MoKα","","0.092","0.0753","","","0.1705","0.1784","","","","","","1.166","","","","has coordinates","199710","2020-10-21","18:00:00",""
"7120540","9.658","0.002","9.771","0.002","17.351","0.004","99.448","0.006","91.554","0.006","94.467","0.006","1608.9","0.6","296","2","296","2","","","","","","","","5","P -1","-P 1","2","","","","- C28 H41 F8 N3 Si3 -","- C28 H41 F8 N3 Si3 -","- C56 H82 F16 N6 Si6 -","2","1","","Swamy, V.S.V.S.N.; Parvin, Nasrina; Vipin Raj, K.; Vanka, Kumar; Sen, Sakya Singha","C(sp3)‒F, C(sp2)‒F and C(sp3)‒H bond activation at silicon(II) center","Chem. Commun.","2017","","","","","10.1039/C7CC05145J","","","0.71073","MoKα","","0.1457","0.0713","","","0.1554","0.196","","","","","","1.039","","","","has coordinates","199710","2020-10-21","18:00:00",""
"7120541","14.962","0.003","12.796","0.003","17.935","0.004","90","","113.789","0.005","90","","3142","1.2","296","2","296","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C27 H41 F6 N3 Si3 -","- C27 H41 F6 N3 Si3 -","- C108 H164 F24 N12 Si12 -","4","1","","Swamy, V.S.V.S.N.; Parvin, Nasrina; Vipin Raj, K.; Vanka, Kumar; Sen, Sakya Singha","C(sp3)‒F, C(sp2)‒F and C(sp3)‒H bond activation at silicon(II) center","Chem. Commun.","2017","","","","","10.1039/C7CC05145J","","","0.71073","MoKα","","0.1127","0.0499","","","0.0918","0.1157","","","","","","1.02","","","","has coordinates","199710","2020-10-21","18:00:00",""
"7120542","28.115","0.004","4.5482","0.0005","23.97","0.004","90","","93.065","0.011","90","","3060.7","0.8","293","2","293","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C18 H14 N2 O3 -","- C18 H14 N2 O3 -","- C144 H112 N16 O24 -","8","1","","Saini, Anoop Kumar; Natarajan, Kaushik; Mobin, Shaikh M.","A new multitalented azine ligand: elastic bending, single-crystal-to-single-crystal transformation and a fluorescence turn‒on Al(III) sensor","Chem. Commun.","2017","","","","","10.1039/C7CC04392A","","","0.71073","MoKα","","0.2418","0.0898","","","0.2037","0.2885","","","","","","0.966","","","","has coordinates","206958","2020-10-21","18:00:00",""
"7120543","3.8997","0.0004","7.177","0.0005","24.082","0.003","90","","90.434","0.01","90","","673.99","0.12","293","2","293","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C14 H10 Br2 N2 -","- C14 H10 Br2 N2 -","- C28 H20 Br4 N4 -","2","0.5","","Saini, Anoop Kumar; Natarajan, Kaushik; Mobin, Shaikh M.","A new multitalented azine ligand: elastic bending, single-crystal-to-single-crystal transformation and a fluorescence turn‒on Al(III) sensor","Chem. Commun.","2017","","","","","10.1039/C7CC04392A","","","0.71073","MoKα","","0.1737","0.125","","","0.3152","0.3734","","","","","","1.171","","","","has coordinates","199722","2020-10-21","18:00:00",""
"7120544","7.5953","0.0015","10.1025","0.0015","12.191","0.003","90","","105.83","0.02","90","","900","0.3","293","2","293","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C22 H20 Fe2 N2 -","- C22 H20 Fe2 N2 -","- C44 H40 Fe4 N4 -","2","0.5","","Saini, Anoop Kumar; Natarajan, Kaushik; Mobin, Shaikh M.","A new multitalented azine ligand: elastic bending, single-crystal-to-single-crystal transformation and a fluorescence turn‒on Al(III) sensor","Chem. Commun.","2017","","","","","10.1039/C7CC04392A","","","0.71073","MoKα","","0.1614","0.1166","","","0.3031","0.3725","","","","","","1.094","","","","has coordinates","199722","2020-10-21","18:00:00",""
"7120545","14.649","0.0013","5.001","0.0004","21.4358","0.0017","90","","108.746","0.009","90","","1487.1","0.2","293","2","293","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C18 H14 N2 O3 -","- C18 H14 N2 O3 -","- C72 H56 N8 O12 -","4","1","","Saini, Anoop Kumar; Natarajan, Kaushik; Mobin, Shaikh M.","A new multitalented azine ligand: elastic bending, single-crystal-to-single-crystal transformation and a fluorescence turn‒on Al(III) sensor","Chem. Commun.","2017","","","","","10.1039/C7CC04392A","","","0.71073","MoKα","","0.1311","0.0685","","","0.1773","0.226","","","","","","1.042","","","","has coordinates","199722","2020-10-21","18:00:00",""
"7120546","8.1716","0.00016","12.4722","0.0002","13.2874","0.0003","90","","91.5709","0.0018","90","","1353.71","0.05","120","","120","","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C11 H10 F6 N O2 P Ru -","- C11 H10 F6 N O2 P Ru -","- C44 H40 F24 N4 O8 P4 Ru4 -","4","1","","Pike, Jack A.; Walton, James William","Nucleophilic Trifluoromethylation of Electron-Deficient Arenes","Chem. Commun.","2017","","","","","10.1039/C7CC05415G","","x-ray","0.71073","MoKα","","0.0447","0.0368","","","0.0975","0.1033","","","","","","1.073","","","","has coordinates","199751","2020-10-21","18:00:00",""
"7120547","16.902","0.003","26.87","0.005","21.474","0.004","90","","92.102","0.007","90","","9746","3","100","2","100","2","","","","","","","","6","P 1 21/a 1","-P 2yab","14","Cage+C60","Cage+C60","","- C126 H65 Cl2 N3 O6 S18 -","- C126 H65 Cl2 N3 O6 S18 -","- C504 H260 Cl8 N12 O24 S72 -","4","1","","Bähring, Steffen; Larsen, Karina Risom; Supur, Mustafa; Nielsen, Kent A.; Poulsen, Thomas; Ohkubo, Kei; Marlatt, Craig W.; Miyazaki, Eigo; Takimiya, Kazuo; Flood, Amar H.; Fukuzumi, Shunichi; Jeppesen, Jan Oskar Oskar","Ionic manipulation of the charge-transfer characteristics and photo-dynamics in a complex of an electronically-tuned monopyrrolo-tetrathiafulvalene cage confining [60]fullerene","Chem. Commun.","2017","","","","","10.1039/C7CC03775A","","","0.71075","MoKα","","0.1476","0.0938","","","0.2366","0.2605","","","","","","1.441","","","","has coordinates,has disorder","199752","2020-10-21","18:00:00",""
"7120548","12.3597","0.0003","12.7897","0.0003","13.7188","0.0003","68.956","0.002","79.436","0.002","66.531","0.003","1854.49","0.09","276","1","276","1","","","","","","","","8","P -1","-P 1","2","","","","- C34 H20 F6 Fe I2 N5 O6 S2 -","- C34 H20 F6 Fe I2 N5 O6 S2 -","- C68 H40 F12 Fe2 I4 N10 O12 S4 -","2","1","","Phukkaphan, Natnaree; Cruickshank, Dyanne L.; Murray, Keith S.; Phonsri, Wasinee; Harding, Phimphaka; Harding, David J.","Hysteretic spin crossover driven by anion conformational change","Chem. Commun.","2017","","","","","10.1039/C7CC05998A","","x-ray","1.54184","CuKα","","0.0558","0.0507","","","0.14","0.1444","","","","","","1.0281","","","","has coordinates","199753","2020-10-21","18:00:00",""
"7120549","12.3138","0.0003","12.7727","0.0004","13.6913","0.0004","68.975","0.003","79.325","0.002","66.548","0.003","1841.7","0.11","255","0.1","255","0.1","","","","","","","","8","P -1","-P 1","2","","","","- C34 H20 F6 Fe I2 N5 O6 S2 -","- C34 H20 F6 Fe I2 N5 O6 S2 -","- C68 H40 F12 Fe2 I4 N10 O12 S4 -","2","1","","Phukkaphan, Natnaree; Cruickshank, Dyanne L.; Murray, Keith S.; Phonsri, Wasinee; Harding, Phimphaka; Harding, David J.","Hysteretic spin crossover driven by anion conformational change","Chem. Commun.","2017","","","","","10.1039/C7CC05998A","","x-ray","1.54184","CuKα","","0.0524","0.0445","","","0.1183","0.1242","","","","","","1.0258","","","","has coordinates","199753","2020-10-21","18:00:00",""
"7120550","12.4339","0.0013","12.7007","0.0013","12.9423","0.0013","78.012","0.009","68.748","0.01","68.609","0.01","1766.9","0.4","245","0.1","245","0.1","","","","","","","","8","P -1","-P 1","2","","","","- C34 H20 F6 Fe I2 N5 O6 S2 -","- C34 H20 F6 Fe I2 N5 O6 S2 -","- C68 H40 F12 Fe2 I4 N10 O12 S4 -","2","1","","Phukkaphan, Natnaree; Cruickshank, Dyanne L.; Murray, Keith S.; Phonsri, Wasinee; Harding, Phimphaka; Harding, David J.","Hysteretic spin crossover driven by anion conformational change","Chem. Commun.","2017","","","","","10.1039/C7CC05998A","","x-ray","1.54184","CuKα","","0.0827","0.0585","","","0.1525","0.1803","","","","","","1.0129","","","","has coordinates","199753","2020-10-21","18:00:00",""
"7120551","8.4755","0.0008","18.629","0.0018","21.907","0.002","82.08","0.001","78.944","0.001","80.992","0.001","3332","0.5","200","2","200","2","","","","","","","","6","P -1","-P 1","2","","","","- C69 H45 F10 I5 O3 P3 -","- C69 H45 F10 I5 O3 P3 -","- C138 H90 F20 I10 O6 P6 -","2","1","","Xu, Yijue; Champion, Lysiane; Gabidullin, Bulat; Bryce, David L.","A Kinetic Study of Mechanochemical Halogen Bond Formation by In-situ 31P Solid-State NMR Spectroscopy","Chem. Commun.","2017","","","","","10.1039/C7CC05051H","","","0.71073","MoKα","","0.0311","0.0261","","","0.0609","0.0632","","","","","","1.076","","","","has coordinates","199754","2020-10-21","18:00:00",""
"7120552","20.1749","0.0016","38.738","0.003","52.01","0.004","90","","90","","90","","40648","5","294","2","293.71","","","","","","","","","7","I b a m","-I 2 2c","72","","","","- C26 H26 Mo24 N9 O87 P2 Zn8 -","- C26 H26 Mo24 N9 O87 P2 Zn8 -","- C208 H208 Mo192 N72 O696 P16 Zn64 -","8","0.5","","Su, Zhong-Min; Li, Xiao-Xin; Shen, Feng-Cui; Liu, Jiang; Li, Shun-Li; Dong, Long-Zhang; Fu, Qiang; Lan, Ya-Qian","A High Stable Polyoxometalate-Based Metal-Organic Framework with ABW Zeolite-Like Structure","Chem. Commun.","2017","","","","","10.1039/C7CC05552H","","","0.71073","MoKα","","0.0769","0.0557","","","0.1534","0.1764","","","","","","1.044","","","","has coordinates,has disorder","199755","2020-10-21","18:00:00",""
"7120553","10.5556","0.0006","28.004","0.002","44.889","0.003","90","","90","","90","","13269.1","1.5","210","2","210","","","","","","","","","5","F d d d","-F 2uv 2vw","70","","","","- C29 H24 Au2 Cl2 N8 -","- C29 H24 Au2 Cl2 N8 -","- C464 H384 Au32 Cl32 N128 -","16","","","Kaub, Christoph; Lebedkin, Sergei; Bestgen, Sebastian; Köppe, Ralf; Kappes, Manfred M.; Roesky, Peter W.","Defined tetranuclear coinage metal chains","Chem. Commun.","2017","","","","","10.1039/C7CC04705C","","","0.71073","MoKα","","0.0548","0.0317","","","0.0706","0.075","","","","","","0.887","","","","has coordinates","199782","2020-10-21","18:00:00",""
"7120554","44.7148","0.0014","13.6599","0.0003","25.8961","0.0008","90","","112.789","0.002","90","","14582.6","0.7","110.15","","110.15","","","","","","","","","7","C 1 2/c 1","-C 2yc","15","","","","- C58 H48 Au2 Cl4 Cu2 N16 O16 -","- C58 H48 Au2 Cl4 Cu2 N16 O16 -","- C464 H384 Au16 Cl32 Cu16 N128 O128 -","8","1","","Kaub, Christoph; Lebedkin, Sergei; Bestgen, Sebastian; Köppe, Ralf; Kappes, Manfred M.; Roesky, Peter W.","Defined tetranuclear coinage metal chains","Chem. Commun.","2017","","","","","10.1039/C7CC04705C","","x-ray","0.71073","MoKα","","0.0867","0.0563","","","0.1418","0.1566","","","","","","0.952","","","","has coordinates,has disorder","199782","2020-10-21","18:00:00",""
"7120555","14.6489","0.0005","19.5901","0.0007","26.9914","0.001","91.502","0.003","101.697","0.003","107.16","0.003","7216.6","0.5","210","","210","","","","","","","","","7","P -1","-P 1","2","","","","- C60 H51 Ag2 Au2 Cl4 N17 O16 -","- C60 H51 Ag2 Au2 Cl4 N17 O16 -","- C240 H204 Ag8 Au8 Cl16 N68 O64 -","4","2","","Kaub, Christoph; Lebedkin, Sergei; Bestgen, Sebastian; Köppe, Ralf; Kappes, Manfred M.; Roesky, Peter W.","Defined tetranuclear coinage metal chains","Chem. Commun.","2017","","","","","10.1039/C7CC04705C","","","0.71073","MoKα","","0.0781","0.0454","","","0.1141","0.1234","","","","","","0.998","","","","has coordinates,has disorder","199782","2020-10-21","18:00:00",""
"7120556","11.9504","0.0009","12.7279","0.001","17.9011","0.0013","92.009","0.006","96.335","0.006","92.319","0.006","2701.8","0.4","210","","210","","","","","","","","","4","P -1","-P 1","2","","","","- C29 H26 Cl2 N8 -","- C29 H26 Cl2 N8 -","- C116 H104 Cl8 N32 -","4","2","","Kaub, Christoph; Lebedkin, Sergei; Bestgen, Sebastian; Köppe, Ralf; Kappes, Manfred M.; Roesky, Peter W.","Defined tetranuclear coinage metal chains","Chem. Commun.","2017","","","","","10.1039/C7CC04705C","","","0.71073","MoKα","","0.0775","0.0372","","","0.0778","0.0844","","","","","","0.925","","","","has coordinates","199782","2020-10-21","18:00:00",""
"7120557","7.965","0.009","8.677","0.01","12.496","0.014","89.035","0.018","83.993","0.018","68.355","0.017","798.1","1.6","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C17 H19 N O3 S -","- C17 H19 N O3 S -","- C34 H38 N2 O6 S2 -","2","1","","Torres, Òscar; Solà, Miquel; Roglans, Anna; Pla Quintana, Anna","Unusual reactivity of rhodium carbenes with allenes: an efficient asymmetric synthesis of methylenetetrahydropyran scaffolds","Chem. Commun.","2017","","","","","10.1039/C7CC04803C","","","0.71073","MoKα","","0.0648","0.0508","","","0.1357","0.1473","","","","","","1.038","","","","has coordinates","199783","2020-10-21","18:00:00",""
"7120558","10.607","0.004","7.076","0.003","15.851","0.008","90","","91.393","0.01","90","","1189.3","0.9","100","2","100","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C24 H27 N O5 S2 -","- C24 H27 N O5 S2 -","- C48 H54 N2 O10 S4 -","2","1","","Torres, Òscar; Solà, Miquel; Roglans, Anna; Pla Quintana, Anna","Unusual reactivity of rhodium carbenes with allenes: an efficient asymmetric synthesis of methylenetetrahydropyran scaffolds","Chem. Commun.","2017","","","","","10.1039/C7CC04803C","","","0.71073","MoKα","","0.1229","0.0762","","","0.1653","0.1912","","","","","","1.146","","","","has coordinates","199783","2020-10-21","18:00:00",""
"7120559","11.4603","0.0011","8.7867","0.0008","17.6568","0.0017","90","","105.777","0.01","90","","1711","0.3","150","","150","","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C44 H46 Fe2 Y2 -","- C44 H46 Fe2 Y2 -","- C88 H92 Fe4 Y4 -","2","0.5","","Layfield, Richard; Day, Benjamin M. Morgan; Guo, Fu-Sheng; Pugh, Thomas; Grindell, Richard","Activation of C‒H bonds by rare-earth metallocene-butyl complexes","Chem. Commun.","2017","","","","","10.1039/C7CC05597H","","x-ray","0.71073","MoKα","","0.0629","0.0413","","","0.0861","0.0944","","","","","","1.027","","","","has coordinates","199784","2020-10-21","18:00:00",""
"7120560","17.8886","0.0016","14.8409","0.001","22.412","0.002","90","","110.351","0.01","90","","5578.6","0.9","150.01","0.12","150.01","0.12","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C33 H37 N2 Y -","- C33 H37 N2 Y -","- C264 H296 N16 Y8 -","8","2","","Layfield, Richard; Day, Benjamin M. Morgan; Guo, Fu-Sheng; Pugh, Thomas; Grindell, Richard","Activation of C‒H bonds by rare-earth metallocene-butyl complexes","Chem. Commun.","2017","","","","","10.1039/C7CC05597H","","x-ray","0.71073","MoKα","","0.1318","0.0922","","","0.2118","0.2279","","","","","","1.119","","","","has coordinates","199784","2020-10-21","18:00:00",""
"7120561","17.9045","0.0007","14.8465","0.0005","22.4149","0.001","90","","110.37","0.004","90","","5585.7","0.4","150","","150","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C33 H37 Dy N2 -","- C33 H37 Dy N2 -","- C264 H296 Dy8 N16 -","8","2","","Layfield, Richard; Day, Benjamin M. Morgan; Guo, Fu-Sheng; Pugh, Thomas; Grindell, Richard","Activation of C‒H bonds by rare-earth metallocene-butyl complexes","Chem. Commun.","2017","","","","","10.1039/C7CC05597H","","x-ray","0.71073","MoKα","","0.0842","0.0718","","","0.1571","0.1632","","","","","","1.135","","","","has coordinates","199784","2020-10-21","18:00:00",""
"7120562","11.441","0.0005","8.8007","0.0003","17.6498","0.0007","90","","105.794","0.004","90","","1710.04","0.12","150","","150","","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C44 H46 Dy2 Fe2 -","- C44 H46 Dy2 Fe2 -","- C88 H92 Dy4 Fe4 -","2","0.5","","Layfield, Richard; Day, Benjamin M. Morgan; Guo, Fu-Sheng; Pugh, Thomas; Grindell, Richard","Activation of C‒H bonds by rare-earth metallocene-butyl complexes","Chem. Commun.","2017","","","","","10.1039/C7CC05597H","","x-ray","0.71073","MoKα","","0.0315","0.0285","","","0.0629","0.0642","","","","","","1.096","","","","has coordinates","199784","2020-10-21","18:00:00",""
"7120563","14.4524","0.0009","15.4426","0.0006","13.0677","0.0005","90","","90","","90","","2916.5","0.2","150.03","0.1","150.03","0.1","","","","","","","","3","P 21 21 2","P 2 2ab","18","","","","- C32 H46 Dy2 -","- C32 H46 Dy2 -","- C128 H184 Dy8 -","4","1","","Layfield, Richard; Day, Benjamin M. Morgan; Guo, Fu-Sheng; Pugh, Thomas; Grindell, Richard","Activation of C‒H bonds by rare-earth metallocene-butyl complexes","Chem. Commun.","2017","","","","","10.1039/C7CC05597H","","x-ray","0.71073","MoKα","","0.0898","0.0728","","","0.1626","0.1727","","","","","","1.084","","","","has coordinates,has disorder","199784","2020-10-21","18:00:00",""
"7120564","15.5723","0.0008","12.8913","0.0008","37.4502","0.0014","90","","90.982","0.004","90","","7516.9","0.7","100.02","0.1","100.02","0.1","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C90 H102 N4 Y2 -","- C90 H102 N4 Y2 -","- C360 H408 N16 Y8 -","4","1","","Layfield, Richard; Day, Benjamin M. Morgan; Guo, Fu-Sheng; Pugh, Thomas; Grindell, Richard","Activation of C‒H bonds by rare-earth metallocene-butyl complexes","Chem. Commun.","2017","","","","","10.1039/C7CC05597H","","x-ray","0.71073","MoKα","","0.1332","0.0786","","","0.1714","0.1962","","","","","","1.045","","","","has coordinates,has disorder","199784","2020-10-21","18:00:00",""
"7120565","15.6469","0.0006","12.9702","0.0007","37.5845","0.0012","90","","91.221","0.003","90","","7625.8","0.6","150","","150","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C45 H51 Dy N2 -","- C45 H51 Dy N2 -","- C360 H408 Dy8 N16 -","8","2","","Layfield, Richard; Day, Benjamin M. Morgan; Guo, Fu-Sheng; Pugh, Thomas; Grindell, Richard","Activation of C‒H bonds by rare-earth metallocene-butyl complexes","Chem. Commun.","2017","","","","","10.1039/C7CC05597H","","x-ray","0.71073","MoKα","","0.1168","0.0893","","","0.1593","0.1705","","","","","","1.212","","","","has coordinates,has disorder","199784","2020-10-21","18:00:00",""
"7120566","14.4805","0.0004","15.464","0.0003","13.0556","0.0002","90","","90","","90","","2923.49","0.11","150.02","0.1","150.02","0.1","","","","","","","","3","P 21 21 2","P 2 2ab","18","","","","- C32 H46 Y2 -","- C32 H46 Y2 -","- C128 H184 Y8 -","4","1","","Layfield, Richard; Day, Benjamin M. Morgan; Guo, Fu-Sheng; Pugh, Thomas; Grindell, Richard","Activation of C‒H bonds by rare-earth metallocene-butyl complexes","Chem. Commun.","2017","","","","","10.1039/C7CC05597H","","x-ray","0.71073","MoKα","","0.0641","0.0532","","","0.1213","0.1277","","","","","","1.047","","","","has coordinates,has disorder","199784","2020-10-21","18:00:00",""
"7120567","23.0192","0.0007","10.745","0.0003","17.5896","0.0005","90","","112.737","0.002","90","","4012.5","0.2","100","2","100","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C46 H50 B2 F4 N6 -","- C46 H50 B2 F4 N6 -","- C184 H200 B8 F16 N24 -","4","0.5","","He, Hongshan; Bosonetta, James D.; Wheeler, Kraig A.; May, P. Stanley","Sisters together: Co-sensitization of near-infrared emission of ytterbium (III) by BODIPY and porphyrin dyes","Chem. Commun.","2017","","","","","10.1039/C7CC05437H","","","1.54178","CuKα","","0.0436","0.0365","","","0.0942","0.0992","","","","","","1.023","","","","has coordinates","199785","2020-10-21","18:00:00",""
"7120568","9.6642","0.0003","5.65404","0.00018","11.1188","0.0004","90","","91.6704","0.0019","90","","607.29","0.03","93","","93","","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C12 H10 S4 -","- C12 H10 S4 -","- C24 H20 S8 -","2","0.5","","Wang, Chengyuan; Nakamura, Hiroshi; Sugino, Hiroyoshi; Takimiya, Kazuo","Methylthionated benzo[1,2-b:4,5-b′]dithiophenes: a model study to control packing structures and molecular orientation in thienoacene-based organic semiconductors","Chem. Commun.","2017","","","","","10.1039/C7CC04998F","","","1.54187","CuKα","","0.0431","0.0397","","","0.1088","0.1126","","","","","","1.086","","","","has coordinates","199786","2020-10-21","18:00:00",""
"7120569","8.37267","0.00018","13.9725","0.0003","5.34146","0.00012","90","","99.362","0.0013","90","","616.56","0.02","98","","98","","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C12 H10 S4 -","- C12 H10 S4 -","- C24 H20 S8 -","2","0.5","","Wang, Chengyuan; Nakamura, Hiroshi; Sugino, Hiroyoshi; Takimiya, Kazuo","Methylthionated benzo[1,2-b:4,5-b′]dithiophenes: a model study to control packing structures and molecular orientation in thienoacene-based organic semiconductors","Chem. Commun.","2017","","","","","10.1039/C7CC04998F","","","1.54187","CuKα","","0.0348","0.032","","","0.0908","0.0937","","","","","","1.067","","","","has coordinates","199786","2020-10-21","18:00:00",""
"7120570","5.82323","0.00018","7.7052","0.0003","14.068","0.0005","78.199","0.002","84.691","0.0018","88.49","0.0019","615.21","0.04","296","","296","","","","","","","","","3","P -1","-P 1","2","","","","- C12 H10 S4 -","- C12 H10 S4 -","- C24 H20 S8 -","2","1","","Wang, Chengyuan; Nakamura, Hiroshi; Sugino, Hiroyoshi; Takimiya, Kazuo","Methylthionated benzo[1,2-b:4,5-b′]dithiophenes: a model study to control packing structures and molecular orientation in thienoacene-based organic semiconductors","Chem. Commun.","2017","","","","","10.1039/C7CC04998F","","","1.54187","CuKα","","0.1281","0.0961","","","0.2904","0.3803","","","","","","1.456","","","","has coordinates","199786","2020-10-21","18:00:00",""
"7120571","5.6957","0.0004","34.431","0.002","13.1466","0.0009","90","","90.142","0.002","90","","2578.2","0.3","173","2","173","2","","","","","","","","3","P 1 21 1","P 2yb","4","","","","- C36 H26 N2 -","- C36 H26 N2 -","- C144 H104 N8 -","4","2","","Tao, Chen-Lei; Chen, Bin; Liu, Xun-Gao; Zhou, Li-Jiao; Zhu, Xiao-Li; Cao, Jun; Gu, Zhi-Guo; Zhao, Zujin; Shen, Liang; Tang, Ben Zhong","A highly luminescent entangled metal-organic framework based on pyridine-substituted tetraphenylethene for efficient pesticide detection","Chem. Commun.","2017","","","","","10.1039/C7CC05031C","","","0.71073","MoKα","","0.1332","0.1076","","","0.2778","0.2984","","","","","","1.199","","","","has coordinates,has disorder","199804","2020-10-21","18:00:00",""
"7120572","15.071","0.002","15.109","0.002","24.65","0.004","84.43","0.005","76.275","0.005","83.485","0.005","5403.2","1.3","173","2","173","2","","","","","","","","5","P -1","-P 1","2","","","","- C32 H21 N O4 Zn -","- C32 H21 N O4 Zn -","- C192 H126 N6 O24 Zn6 -","6","3","","Tao, Chen-Lei; Chen, Bin; Liu, Xun-Gao; Zhou, Li-Jiao; Zhu, Xiao-Li; Cao, Jun; Gu, Zhi-Guo; Zhao, Zujin; Shen, Liang; Tang, Ben Zhong","A highly luminescent entangled metal-organic framework based on pyridine-substituted tetraphenylethene for efficient pesticide detection","Chem. Commun.","2017","","","","","10.1039/C7CC05031C","","","0.71073","MoKα","","0.131","0.069","","","0.1703","0.1843","","","","","","1.054","","","","has coordinates,has disorder","199804","2020-10-21","18:00:00",""
"7120573","19.161","0.0007","34.1885","0.0015","7.1304","0.0004","90","","110.374","0.003","90","","4378.8","0.4","100","2","100","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C32.42 H9 F12 N9.35 O1.38 -","- C32.422 H9 F12 N9.348 O1.378 -","- C129.688 H36 F48 N37.392 O5.512 -","4","0.5","","Zhang, Zhenglin; Hashim, Mohamed I.; Miljanic, Ognjen Š.","Aggregation-induced emission in precursors to porous molecular crystals","Chem. Commun.","2017","","","","","10.1039/C7CC03814C","","","1.54178","CuKα","","0.0884","0.0726","","","0.2396","0.2592","","","","","","1.02","","","","has coordinates,has disorder","199826","2020-10-21","18:00:00",""
"7120574","9.0717","0.0002","12.8155","0.0002","23.4747","0.0005","90","","90","","90","","2729.13","0.09","296","2","296.15","","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C30 H28 N2 O6 S -","- C30 H28 N2 O6 S -","- C120 H112 N8 O24 S4 -","4","1","","Mei, Guang-Jian; Li, Dan; Zhou, Gui-Xiang; Shi, Qian; Cao, Zheng; Shi, Feng","Catalytic Asymmetric Construction of Tetrahydroquinoline-Based Spirooxindole Framework via a Diastereo- and Enantioselective Decarboxylative [4+2] Cycloaddition","Chem. Commun.","2017","","","","","10.1039/C7CC05595A","","","1.54178","CuKα","","0.0443","0.0418","","","0.1098","0.1127","","","","","","1.039","","","","has coordinates","199827","2020-10-21","18:00:00",""
"7120575","20.1625","0.0009","9.8756","0.0005","20.9277","0.0011","90","","109.407","0.002","90","","3930.3","0.3","150","","149.99","","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C40 H42 F6 N5 O3 P Ru -","- C40 H42 F6 N5 O3 P Ru -","- C160 H168 F24 N20 O12 P4 Ru4 -","4","1","","Das, Biswanath; Ezzedinloo, Lida; Bhadbhade, Mohan; Bucknall, Martin; Colbran, Stephen Boyd","Strategic design of a ruthenium catalyst for both CO2 reduction and H2O oxidation: the electronic influence of the co-ligands","Chem. Commun.","2017","","","","","10.1039/C7CC06294J","","","0.71073","MoKα","","0.0577","0.0475","","","0.1315","0.1399","","","","","","1.069","","","","has coordinates,has disorder","199828","2020-10-21","18:00:00",""
"7120576","8.857","0.005","8.924","0.005","11.83","0.005","82.499","0.005","84.98","0.005","74.71","0.005","892.8","0.8","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","","","- C19 H22 N2 O3 S -","- C19 H22 N2 O3 S -","- C38 H44 N4 O6 S2 -","2","1","","Mal, Abhijit; Goswami, Gaurav; Wani, Imtiyaz Ahmad; Ghorai, Manas K.","Synthetic Route to Chiral Indolines via Cu(OAc)2-Catalyzed Ring-Opening/C(sp2)-H Activation of Activated Aziridines","Chem. Commun.","2017","","","","","10.1039/C7CC05513G","","","0.71073","MoKα","","0.0913","0.0497","","","0.0907","0.1021","","","","","","1.05","","","","has coordinates","199829","2020-10-21","18:00:00",""
"7120577","17.725","0.005","8.585","0.005","24.613","0.005","90","0.005","90.156","0.005","90","0.005","3745","3","100","2","100","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C20 H24 N2 O3 S -","- C20 H24 N2 O3 S -","- C160 H192 N16 O24 S8 -","8","2","","Mal, Abhijit; Goswami, Gaurav; Wani, Imtiyaz Ahmad; Ghorai, Manas K.","Synthetic Route to Chiral Indolines via Cu(OAc)2-Catalyzed Ring-Opening/C(sp2)-H Activation of Activated Aziridines","Chem. Commun.","2017","","","","","10.1039/C7CC05513G","","","0.71073","MoKα","","0.1499","0.0654","","","0.1174","0.147","","","","","","1.015","","","","has coordinates","203412","2020-10-21","18:00:00",""
"7120578","8.5611","0.0002","11.5649","0.0003","17.2271","0.0005","94.139","0.001","95.14","0.001","109.689","0.001","1589.89","0.07","100","2","100","2","","","","","","","","4","P -1","-P 1","2","","Lactamycin","","- C20 H16 N O4.5 -","- C20 H16 N O4.5 -","- C80 H64 N4 O18 -","4","2","","Zhang, Shumin; Yang, Qin; Guo, Lin; Zhang, Ying; Feng, Lingling; Zhou, Ling; Yang, Shengxiang; Yao, Qingshou; Pescitelli, Gennaro; Zeping, Xie","Isolation, Structure Elucidation and Racemization of (+)- and (−)-Pratensilins A‒C, Unprecedented Spiro Indolinone-naphthofuran Alkaloids from a Marine Streptomyces sp.","Chem. Commun.","2017","","","","","10.1039/C7CC04983H","","","1.54178","CuKα","","0.0384","0.0366","","","0.0943","0.0961","","","","","","1.02","","","","has coordinates","203412","2020-10-21","18:00:00",""
"7120579","12.3247","0.0013","12.4856","0.0012","13.5866","0.0014","82.066","0.002","75.198","0.003","70.107","0.003","1897.7","0.3","100","2","100","2","","","","","","","","4","P -1","-P 1","2","","","","- C89 H80 N4 O21 -","- C89 H80 N4 O21 -","- C89 H80 N4 O21 -","1","0.5","","Zhang, Shumin; Yang, Qin; Guo, Lin; Zhang, Ying; Feng, Lingling; Zhou, Ling; Yang, Shengxiang; Yao, Qingshou; Pescitelli, Gennaro; Zeping, Xie","Isolation, Structure Elucidation and Racemization of (+)- and (−)-Pratensilins A‒C, Unprecedented Spiro Indolinone-naphthofuran Alkaloids from a Marine Streptomyces sp.","Chem. Commun.","2017","","","","","10.1039/C7CC04983H","","","1.54178","CuKα","","0.0582","0.0566","","","0.1654","0.1674","","","","","","1.032","","","","has coordinates,has disorder","199841","2020-10-21","18:00:00",""
"7120580","12.3534","0.0002","12.5563","0.0002","20.7245","0.0004","90","","98.757","0.001","90","","3177.17","0.1","100","2","100","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C20 H15 N O4 -","- C20 H15 N O4 -","- C160 H120 N8 O32 -","8","2","","Zhang, Shumin; Yang, Qin; Guo, Lin; Zhang, Ying; Feng, Lingling; Zhou, Ling; Yang, Shengxiang; Yao, Qingshou; Pescitelli, Gennaro; Zeping, Xie","Isolation, Structure Elucidation and Racemization of (+)- and (−)-Pratensilins A‒C, Unprecedented Spiro Indolinone-naphthofuran Alkaloids from a Marine Streptomyces sp.","Chem. Commun.","2017","","","","","10.1039/C7CC04983H","","","1.54178","CuKα","","0.1606","0.0997","","","0.2435","0.3106","","","","","","1.112","","","","has coordinates","199841","2020-10-21","18:00:00",""
"7120581","10.272","0.0005","16.6349","0.0008","8.9573","0.0004","90","","112.011","0.002","90","","1419.01","0.12","296","2","296","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C16 H15 Cl O2 -","- C16 H15 Cl O2 -","- C64 H60 Cl4 O8 -","4","1","","Zhang, Junliang; Ma, Ben; Wu, Jiaojiao; Liu, Lu","Gold-catalyzed para-selective C-H bond alkylation of benzene derivatives with donor/acceptor-substituted diazo compounds","Chem. Commun.","2017","","","","","10.1039/C7CC05649D","","","0.71073","MoKα","","0.059","0.0421","","","0.0983","0.1079","","","","","","1.04","","","","has coordinates","199842","2020-10-21","18:00:00",""
"7120582","7.8533","0.0008","17.4662","0.0014","13.5621","0.0015","90","","97.846","0.008","90","","1842.9","0.3","293","2","293","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C H N O -","- C2.37838 H1.72973 N0.432432 O0.216216 -","- C88 H64 N16 O8 -","37","9.25","","Mai, Shaoyu; Rao, Changqing; Chen, Ming; Su, Ji-Hu; Du, Jiangfeng; Song, Qiuling","Merging gold catalysis, organocatalytic oxidation, and lewis acid catalysis for chemodivergent synthesis of functionalized oxazoles from N-propargylamides","Chem. Commun.","2017","","","","","10.1039/C7CC05746F","","","0.71073","MoKα","","0.0747","0.0464","","","0.1182","0.1386","","","","","","1.033","","","","has coordinates","199865","2020-10-21","18:00:00",""
"7120583","5.026","0.002","33.756","0.005","7.9533","0.0014","90","","99.997","0.01","90","","1328.9","0.6","100","2","100","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","BNDI","butoxyphenyl N-substituted naphthalene diimide","","- C34 H30 N2 O6 -","- C34 H30 N2 O6 -","- C68 H60 N4 O12 -","2","0.5","","Dharmarwardana, Madushani; Welch, Raymond Patrick; Kwon, Sunah; Nguyen, Victoria K.; McCandless, Gregory T.; Omary, Mohammad A.; Gassensmith, Jeremiah J.","Thermo-Mechanically Responsive Crystalline Organic Cantilever","Chem. Commun.","2017","","","","","10.1039/C7CC04346E","","","0.71073","MoKα","","0.0644","0.0502","","","0.1294","0.1381","","","","","","1.029","","","","has coordinates","199866","2020-10-21","18:00:00",""
"7120584","4.1636","0.0008","8.1371","0.0018","20.104","0.005","100.182","0.011","93.124","0.014","94.102","0.014","667.1","0.3","100","2","100","2","","","","","","","","4","P -1","-P 1","2","BNDI","butoxyphenyl N-substituted naphthalene diimide","","- C34 H30 N2 O6 -","- C34 H30 N2 O6 -","- C34 H30 N2 O6 -","1","0.5","","Dharmarwardana, Madushani; Welch, Raymond Patrick; Kwon, Sunah; Nguyen, Victoria K.; McCandless, Gregory T.; Omary, Mohammad A.; Gassensmith, Jeremiah J.","Thermo-Mechanically Responsive Crystalline Organic Cantilever","Chem. Commun.","2017","","","","","10.1039/C7CC04346E","","","0.71073","MoKα","","0.066","0.0449","","","0.1057","0.1148","","","","","","1.019","","","","has coordinates","199866","2020-10-21","18:00:00",""
"7120585","18.346","0.0004","13.612","0.0003","23.845","0.0005","90","","104.844","0.001","90","","5756","0.2","133","2","133","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C20 H20 N4 O S2 -","- C20 H20 N4 O S2 -","- C240 H240 N48 O12 S24 -","12","3","","Gampe, Dominique Mario; Schramm, Stefan; Nöller, Florian; Weiss, Dieter; Görls, Helmar; Naumov, Pance; Beckert, Rainer","Pushing to the Low Limits: Tetraazaanthracenes with Very Low-Lying LUMO Levels and Near-Infrared Absorption","Chem. Commun.","2017","","","","","10.1039/C7CC05224C","","","0.71073","MoKα","","0.096","0.0738","","","0.1595","0.1725","","","","","","1.135","","","","has coordinates","199911","2020-10-21","18:00:00",""
"7120586","11.169","0.003","14.536","0.004","21.343","0.006","71.76","0.004","76.741","0.004","68.321","0.005","3032.7","1.4","100","2","100","2","","","","","","","","7","P -1","-P 1","2","DMOF2","","","- C60.37 H50.19 F6 N4.46 O12.46 S2 Zn2 -","- C60.368 H50.192 F6 N4.456 O12.456 S2 Zn2 -","- C120.736 H100.384 F12 N8.912 O24.912 S4 Zn4 -","2","1","","Nikolayenko, Varvara I.; Herbert, Simon; Barbour, Len","Reversible structural switching of a metal-organic framework by photoirradiation","Chem. Commun.","2017","","","","","10.1039/C7CC06074B","","","0.71073","MoKα","","0.1391","0.0746","","","0.1368","0.1676","","","","","","0.956","","","","has coordinates","199912","2020-10-21","18:00:00",""
"7120587","7.2175","0.0007","24.471","0.003","28.683","0.003","90","","90","","90","","5066","1","100","2","100","2","","","","","","","","7","P 21 21 21","P 2ac 2ab","19","DMOF","","","- C42 H31 F6 N3 O5 S2 Zn -","- C42 H31 F6 N3 O5 S2 Zn -","- C168 H124 F24 N12 O20 S8 Zn4 -","4","1","","Nikolayenko, Varvara I.; Herbert, Simon; Barbour, Len","Reversible structural switching of a metal-organic framework by photoirradiation","Chem. Commun.","2017","","","","","10.1039/C7CC06074B","","","0.71073","MoKα","","0.0868","0.0668","","","0.1896","0.2052","","","","","","1.065","","","","has coordinates,has disorder","199912","2020-10-21","18:00:00",""
"7120588","7.166","0.009","24.54","0.03","29.48","0.03","90","","90","","90","","5184","11","297","2","297","2","","","","","","","","7","P 21 21 21","P 2ac 2ab","19","iDMOF_apohost","","","- C39 H24 F6 N2 O4 S2 Zn -","- C39 H24 F6 N2 O4 S2 Zn -","- C156 H96 F24 N8 O16 S8 Zn4 -","4","1","","Nikolayenko, Varvara I.; Herbert, Simon; Barbour, Len","Reversible structural switching of a metal-organic framework by photoirradiation","Chem. Commun.","2017","","","","","10.1039/C7CC06074B","","","0.71073","MoKα","","0.1249","0.0519","","","0.1134","0.1365","","","","","","0.786","","","","has coordinates","199912","2020-10-21","18:00:00",""
"7120589","7.5196","0.0006","23.2929","0.0019","29.563","0.002","90","","90","","90","","5178.1","0.7","100","2","100","2","","","","","","","","7","P 21 21 21","P 2ac 2ab","19","DMOF1","","","- C42.5 H31.5 F6 N2.5 O4.5 S2 Zn -","- C42.5 H31.5 F6 N2.5 O4.5 S2 Zn -","- C170 H126 F24 N10 O18 S8 Zn4 -","4","1","","Nikolayenko, Varvara I.; Herbert, Simon; Barbour, Len","Reversible structural switching of a metal-organic framework by photoirradiation","Chem. Commun.","2017","","","","","10.1039/C7CC06074B","","","0.71073","MoKα","","0.1103","0.0736","","","0.1947","0.2198","","","","","","1.09","","","","has coordinates,has disorder","199912","2020-10-21","18:00:00",""
"7120590","13.3546","0.0009","14.1369","0.0009","19.6327","0.0013","84.267","0.002","77.664","0.002","66.013","0.002","3307.9","0.4","100","2","100","2","","","","","","","","7","P -1","-P 1","2","DMOF3","","","- C62.49 H53.49 F6 N4.49 O12.49 S2 Zn2 -","- C62.497 H53.497 F6 N4.497 O12.497 S2 Zn2 -","- C124.994 H106.994 F12 N8.994 O24.994 S4 Zn4 -","2","1","","Nikolayenko, Varvara I.; Herbert, Simon; Barbour, Len","Reversible structural switching of a metal-organic framework by photoirradiation","Chem. Commun.","2017","","","","","10.1039/C7CC06074B","","","0.71073","MoKα","","0.0506","0.0471","","","0.1424","0.1451","","","","","","1.038","","","","has coordinates,has disorder","199912","2020-10-21","18:00:00",""
"7120591","12.26","0.014","13.257","0.015","17.62","0.02","78.598","0.012","89.23","0.013","67.499","0.011","2587","5","298","2","298","2","","","","","","","","7","P -1","-P 1","2","iDMOF3_apohost","","","- C55 H36 F6 N2 O10 S2 Zn2 -","- C55 H36 F6 N2 O10 S2 Zn2 -","- C110 H72 F12 N4 O20 S4 Zn4 -","2","1","","Nikolayenko, Varvara I.; Herbert, Simon; Barbour, Len","Reversible structural switching of a metal-organic framework by photoirradiation","Chem. Commun.","2017","","","","","10.1039/C7CC06074B","","","0.71073","MoKα","","0.2863","0.1211","","","0.2831","0.3488","","","","","","0.888","","","","has coordinates,has disorder","199912","2020-10-21","18:00:00",""
"7120592","7.5929","0.001","23.821","0.003","28.799","0.004","90","","90","","90","","5208.9","1.2","100","2","100","2","","","","","","","","7","P 21 21 21","P 2ac 2ab","19","DMOF1_apohost'","","","- C41 H28 F6 N2 O4 S2 Zn -","- C41 H28 F6 N2 O4 S2 Zn -","- C164 H112 F24 N8 O16 S8 Zn4 -","4","1","","Nikolayenko, Varvara I.; Herbert, Simon; Barbour, Len","Reversible structural switching of a metal-organic framework by photoirradiation","Chem. Commun.","2017","","","","","10.1039/C7CC06074B","","","0.71073","MoKα","","0.1149","0.0593","","","0.095","0.108","","","","","","0.876","","","","has coordinates,has disorder","199912","2020-10-21","18:00:00",""
"7120593","13.426","0.003","13.645","0.003","17.046","0.004","90.202","0.003","91.831","0.003","114.465","0.003","2840.5","1.1","100","2","100","2","","","","","","","","7","P -1","-P 1","2","DMOF3_apohost'","","","- C55 H35 F6 N2 O10 S2 Zn2 -","- C55 H35 F6 N2 O10 S2 Zn2 -","- C110 H70 F12 N4 O20 S4 Zn4 -","2","1","","Nikolayenko, Varvara I.; Herbert, Simon; Barbour, Len","Reversible structural switching of a metal-organic framework by photoirradiation","Chem. Commun.","2017","","","","","10.1039/C7CC06074B","","","0.71073","MoKα","","0.1292","0.09","","","0.2489","0.2674","","","","","","1.047","","","","has coordinates,has disorder","199912","2020-10-21","18:00:00",""
"7120594","7.6358","0.0001","23.65","0.0002","29.1848","0.0003","90","","90","","90","","5270.39","0.1","296","2","296","2","","","","","","","","7","P 21 21 21","P 2ac 2ab","19","iDMOF1_apohost","","","- C41 H28 F6 N2 O4 S2 Zn -","- C41 H28 F6 N2 O4 S2 Zn -","- C164 H112 F24 N8 O16 S8 Zn4 -","4","1","","Nikolayenko, Varvara I.; Herbert, Simon; Barbour, Len","Reversible structural switching of a metal-organic framework by photoirradiation","Chem. Commun.","2017","","","","","10.1039/C7CC06074B","","","1.54178","CuKα","","0.0514","0.0408","","","0.1021","0.1063","","","","","","1.048","","","","has coordinates,has disorder","199912","2020-10-21","18:00:00",""
"7120595","7.106","0.002","24.681","0.007","29.181","0.009","90","","90","","90","","5118","3","100","2","100","2","","","","","","","","7","P 21 21 21","P 2ac 2ab","19","DMOF_apohost","","","- C39 H24 F6 N2 O4 S2 Zn -","- C39 H24 F6 N2 O4 S2 Zn -","- C156 H96 F24 N8 O16 S8 Zn4 -","4","1","","Nikolayenko, Varvara I.; Herbert, Simon; Barbour, Len","Reversible structural switching of a metal-organic framework by photoirradiation","Chem. Commun.","2017","","","","","10.1039/C7CC06074B","","","0.71073","MoKα","","0.088","0.0515","","","0.1124","0.1223","","","","","","0.973","","","","has coordinates","199912","2020-10-21","18:00:00",""
"7120596","34.093","0.002","17.7142","0.0012","23.3196","0.0016","90","","131.542","0.001","90","","10541","1.2","100","2","100","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C66 H49 Cl Cu N2 -","- C66 H49 Cl Cu N2 -","- C528 H392 Cl8 Cu8 N16 -","8","1","","Betley, Theodore; Iovan, Diana A.; Wrobel, Alexandra T.; McClelland, Arthur A.; Scharf, Austin B.; Edouard, Guy A.","Reactivity of a Stable Copper-Dioxygen Complex","Chem. Commun.","2017","","","","","10.1039/C7CC05014C","","","0.71073","MoKα","","0.0948","0.0477","","","0.0938","0.1036","","","","","","0.999","","","","has coordinates,has disorder","199989","2020-10-21","18:00:00",""
"7120597","19.6142","0.0009","13.5161","0.0006","20.0152","0.0009","90","","96.137","0.002","90","","5275.8","0.4","100","2","100","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C68 H54 Cu N2 O -","- C68 H54 Cu N2 O -","- C272 H216 Cu4 N8 O4 -","4","1","","Betley, Theodore; Iovan, Diana A.; Wrobel, Alexandra T.; McClelland, Arthur A.; Scharf, Austin B.; Edouard, Guy A.","Reactivity of a Stable Copper-Dioxygen Complex","Chem. Commun.","2017","","","","","10.1039/C7CC05014C","","","0.71073","MoKα","","0.1199","0.0691","","","0.1214","0.1388","","","","","","1.058","","","","has coordinates","199989","2020-10-21","18:00:00",""
"7120598","19.3286","0.0007","13.5791","0.0008","20.9099","0.0013","90","","98.604","0.001","90","","5426.4","0.5","100","2","100","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C72 H54 Cu N2 O -","- C72 H54 Cu N2 O -","- C288 H216 Cu4 N8 O4 -","4","1","","Betley, Theodore; Iovan, Diana A.; Wrobel, Alexandra T.; McClelland, Arthur A.; Scharf, Austin B.; Edouard, Guy A.","Reactivity of a Stable Copper-Dioxygen Complex","Chem. Commun.","2017","","","","","10.1039/C7CC05014C","","","0.71073","MoKα","","0.1105","0.0647","","","0.1239","0.1413","","","","","","1.048","","","","has coordinates","199989","2020-10-21","18:00:00",""
"7120599","12.4948","0.0007","14.4326","0.0008","18.0433","0.001","96.006","0.001","105.681","0.001","104.743","0.001","2976.5","0.3","100","2","99.97","","","","","","","","","5","P -1","-P 1","2","","","","- C78 H61 Cu N2 O2 -","- C78 H61 Cu N2 O2 -","- C156 H122 Cu2 N4 O4 -","2","1","","Betley, Theodore; Iovan, Diana A.; Wrobel, Alexandra T.; McClelland, Arthur A.; Scharf, Austin B.; Edouard, Guy A.","Reactivity of a Stable Copper-Dioxygen Complex","Chem. Commun.","2017","","","","","10.1039/C7CC05014C","","","0.71073","MoKα","","0.041","0.0322","","","0.074","0.0781","","","","","","1.029","","","","has coordinates","199989","2020-10-21","18:00:00",""
"7120600","20.4795","0.0012","17.6321","0.001","15.3822","0.0015","90","","97.214","0.004","90","","5510.5","0.7","100","2","100","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C72 H59 Cu N3 O2 -","- C72 H59 Cu N3 O2 -","- C288 H236 Cu4 N12 O8 -","4","0.5","","Betley, Theodore; Iovan, Diana A.; Wrobel, Alexandra T.; McClelland, Arthur A.; Scharf, Austin B.; Edouard, Guy A.","Reactivity of a Stable Copper-Dioxygen Complex","Chem. Commun.","2017","","","","","10.1039/C7CC05014C","","","1.54178","CuKα","","0.0726","0.0501","","","0.1309","0.1561","","","","","","1.036","","","","has coordinates,has disorder","199989","2020-10-21","18:00:00",""
"7120601","12.446","0.004","14.203","0.004","20.614","0.006","74.427","0.005","84.895","0.005","64.576","0.005","3168.8","1.6","100","2","100","2","","","","","","","","4","P -1","-P 1","2","","","","- C84 H69 Cu N2 -","- C84 H67 Cu N2 -","- C168 H134 Cu2 N4 -","2","1","","Betley, Theodore; Iovan, Diana A.; Wrobel, Alexandra T.; McClelland, Arthur A.; Scharf, Austin B.; Edouard, Guy A.","Reactivity of a Stable Copper-Dioxygen Complex","Chem. Commun.","2017","","","","","10.1039/C7CC05014C","","","0.71073","MoKα","","0.1242","0.058","","","0.122","0.1482","","","","","","1.006","","","","has coordinates","199989","2020-10-21","18:00:00",""
"7120602","6.2899","0.0004","7.1826","0.0005","11.4722","0.0008","85.248","0.006","82.608","0.006","72.427","0.006","489.46","0.06","100","0.1","100","0.1","","","","","","","","4","P -1","-P 1","2","","","","- C11 H12 N2 O -","- C11 H12 N2 O -","- C22 H24 N4 O2 -","2","1","","Jiang, Huanfeng; Ouyang, Lu; Huang, Jiuzhong; Li, Jianxiao; Qi, Chaorong; Wu, Wanqing","Palladium-Catalyzed Oxidative Amination of Homoallylic Alcohols: Sequential Installing Carbonyl and Amino Groups along an Alkyl Chain","Chem. Commun.","2017","","","","","10.1039/C7CC06077G","","x-ray","0.71073","MoKα","","0.0674","0.0502","","","0.1164","0.1294","","","","","","1.036","","","","has coordinates","199991","2020-10-21","18:00:00",""
"7120603","6.3718","0.0004","11.6995","0.0007","17.3017","0.001","90","","90","","90","","1289.79","0.13","100","2","100","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","RMXIII-128B1","sarpong62","","- C16 H15 N O3 -","- C16 H15 N O3 -","- C64 H60 N4 O12 -","4","1","","Lindsay, Vincent; Murphy, Rebecca; Sarpong, Richmond","Effect of protic additives in Cu-catalysed asymmetric Diels-Alder cycloadditions of doubly activated dienophiles: towards the synthesis of magellanine-type Lycopodium alkaloids","Chem. Commun.","2017","","","","","10.1039/C7CC06367A","","","1.54178","CuKα","","0.0308","0.0307","","","0.082","0.0821","","","","","","1.114","","","","has coordinates","204147","2020-10-21","18:00:00",""
"7120604","6.9205","0.0007","7.0658","0.0007","20.0779","0.0019","81.664","0.001","80.281","0.001","80.885","0.001","948.4","0.16","100","2","100","2","","","","","","","","4","P -1","-P 1","2","VLI-005B3","sarpong43","","- C18 H30 O4 Si -","- C18 H30 O4 Si -","- C36 H60 O8 Si2 -","2","1","","Lindsay, Vincent; Murphy, Rebecca; Sarpong, Richmond","Effect of protic additives in Cu-catalysed asymmetric Diels-Alder cycloadditions of doubly activated dienophiles: towards the synthesis of magellanine-type Lycopodium alkaloids","Chem. Commun.","2017","","","","","10.1039/C7CC06367A","","","0.71073","MoKα","","0.0301","0.0292","","","0.0751","0.076","","","","","","1.026","","","","has coordinates","204147","2020-10-21","18:00:00",""
"7120605","17.6138","0.0008","11.1045","0.0005","11.1829","0.0005","90","","93.906","0.002","90","","2182.21","0.17","100","2","100","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","RMXII-193","sarpong59","","- C22 H33 N O3 Si -","- C22 H33 N O3 Si -","- C88 H132 N4 O12 Si4 -","4","1","","Lindsay, Vincent; Murphy, Rebecca; Sarpong, Richmond","Effect of protic additives in Cu-catalysed asymmetric Diels-Alder cycloadditions of doubly activated dienophiles: towards the synthesis of magellanine-type Lycopodium alkaloids","Chem. Commun.","2017","","","","","10.1039/C7CC06367A","","","1.54178","CuKα","","0.0631","0.0563","","","0.1435","0.1498","","","","","","1.043","","","","has coordinates,has disorder","204147","2020-10-21","18:00:00",""
"7120606","11.807","0.002","5.0218","0.001","21.194","0.004","90","","104.7","0.03","90","","1215.5","0.4","289","2","289","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C14 H10 Cl N O2 -","- C14 H10 Cl N O2 -","- C56 H40 Cl4 N4 O8 -","4","1","","Deng, Hong; Li, Hongji; Zhang, Wenge; Wang, Lei","RhIII-catalyzed site-selective amidation with nitrone as a traceless directing group: an approach to functionalized arylaldehydes","Chem. Commun.","2017","","","","","10.1039/C7CC05297A","","","0.71073","MoKα","","0.0802","0.0513","","","0.1137","0.1283","","","","","","1.058","","","","has coordinates","199993","2020-10-21","18:00:00",""
"7120607","13.3299","0.0005","13.6244","0.0004","15.0507","0.0005","99.824","0.001","101.627","0.001","115.766","0.001","2305.48","0.14","150","2","150","2","","","","","","","","5","P -1","-P 1","2","","","","- C42 H30 Cl Ir N6 -","- C42 H30 Cl Ir N6 -","- C84 H60 Cl2 Ir2 N12 -","2","1","","Jin, Chengzhi; Guan, Ruilin; Wu, Jing-Heng; Yuan, Bo; Wang, Li-Li; Huang, Juanjuan; Wang, Hui; Ji, Liang-Nian; Chao, Hui","Rational design of NIR-emitting iridium(III) complexes for multimodal phosphorescence imaging of mitochondria under two-photon excitation","Chem. Commun.","2017","","","","","10.1039/C7CC05193J","","","0.71073","MoKα","","0.0585","0.0529","","","0.1339","0.1388","","","","","","1.06","","","","has coordinates","200011","2020-10-21","18:00:00",""
"7120608","25.443","0.004","8.2809","0.0012","16.263","0.002","90","","113.429","0.004","90","","3144","0.8","298","2","298","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C14 H16 Co Mo8 N4 O26 -","- C14 H16 Co Mo8 N4 O26 -","- C56 H64 Co4 Mo32 N16 O104 -","4","0.5","","Chen, Xiaoxia; Wang, Zhi; Zhang, Ranran; Xu, Liqiang; Sun, Di","A novel polyoxometalate-based hybrid containing 2D [CoMo8O26]\ιnfty structure as anode for lithium-ion batteries","Chem. Commun.","2017","","","","","10.1039/C7CC05741E","","","0.71073","MoKα","","0.024","0.0202","","","0.0464","0.0484","","","","","","1.061","","","","has coordinates","200101","2020-10-21","18:00:00",""
"7120609","8.2956","0.0008","15.1849","0.0014","16.4901","0.0016","83.14","0.008","81.044","0.008","87.483","0.008","2036.5","0.3","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C38 H34 N6 O9 S2 -","- C38 H34 N6 O9 S2 -","- C76 H68 N12 O18 S4 -","2","1","","Peng, Yu; Wang, Ya-Wen; Fu, Zhen-Hai","Two Fluorescein-based Chemosensors for the Fast Detection of 2, 4, 6-Trinitrophenol (TNP) in Water","Chem. Commun.","2017","","","","","10.1039/C7CC05966C","","x-ray","0.71073","MoKα","","0.1648","0.0811","","","0.1994","0.2537","","","","","","0.933","","","","has coordinates,has disorder","200102","2020-10-21","18:00:00",""
"7120610","7.7595","0.0016","13.126","0.004","14.358","0.003","106.59","0.02","94.664","0.019","105.99","0.02","1326.8","0.6","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C29 H23 N3 O7 S -","- C29 H23 N3 O7 S -","- C58 H46 N6 O14 S2 -","2","1","","Peng, Yu; Wang, Ya-Wen; Fu, Zhen-Hai","Two Fluorescein-based Chemosensors for the Fast Detection of 2, 4, 6-Trinitrophenol (TNP) in Water","Chem. Commun.","2017","","","","","10.1039/C7CC05966C","","","0.71073","MoKα","","0.1973","0.0941","","","0.2012","0.2879","","","","","","1.054","","","","has coordinates","200102","2020-10-21","18:00:00",""
"7120611","7.2813","0.0002","9.4897","0.0003","15.4934","0.0006","91.1888","0.0012","101.801","0.0012","100.768","0.0015","1027.54","0.06","150","2","150","2","","","","","","","","6","P -1","-P 1","2","","","","- C21 H23 Cl N4 O3 S -","- C21 H23 Cl N4 O3 S -","- C42 H46 Cl2 N8 O6 S2 -","2","1","","Pascu, Sofia; Li, Meng; Ge, Haobo; Mirabello, Vincenzo; Arrowsmith, Rory L.; Kociok-Kohn, Gabriele; Botchway, Stanley W.; Zhu, Weihong; James, Tony D.","Lysosomal tracking with a cationic naphthalimide using multiphoton fluorescence lifetime imaging microscopy","Chem. Commun.","2017","","","","","10.1039/C7CC05166B","","","0.71073","MoKα","","0.0629","0.0406","","","0.089","0.097","","","","","","1.032","","","","has coordinates","200103","2020-10-21","18:00:00",""
"7120612","18.3636","0.0014","35.236","0.003","18.6488","0.0014","90","","92.9173","0.0013","90","","12051.3","1.6","100","2","100","2","","","","","","","","7","C 1 2/c 1","-C 2yc","15","","","","- C73 H158 Cu7 Mo7 N4 O45 P6 -","- C73 H158 Cu7 Mo7 N4 O45 P6 -","- C292 H632 Cu28 Mo28 N16 O180 P24 -","4","0.5","","Schmitt, Wolfgang; Healy, Colm; Twamley, Brendan; Venkatesan, M.; Schmidt, Sebastian; Gunnlaugsson, Thorfinnur","Hetero-metallic, functionalizable polyoxomolybdate clusters via a “top-down” synthetic method","Chem. Commun.","2017","","","","","10.1039/C7CC05498J","","","0.71073","MoKα","","0.0369","0.0294","","","0.0671","0.0721","","","","","","1.062","","","","has coordinates,has disorder","200104","2020-10-21","18:00:00",""
"7120613","33.787","0.003","13.6491","0.001","22.4826","0.0016","90","","105.068","0.0013","90","","10011.6","1.4","100","2","100","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C64 H144 Cu4 Mo6 N4 O38 P4 -","- C64 H142 Cu4 Mo6 N4 O38 P4 -","- C256 H568 Cu16 Mo24 N16 O152 P16 -","4","1","","Schmitt, Wolfgang; Healy, Colm; Twamley, Brendan; Venkatesan, M.; Schmidt, Sebastian; Gunnlaugsson, Thorfinnur","Hetero-metallic, functionalizable polyoxomolybdate clusters via a “top-down” synthetic method","Chem. Commun.","2017","","","","","10.1039/C7CC05498J","","","0.71073","MoKα","","0.0554","0.0388","","","0.0873","0.0951","","","","","","1.087","","","","has coordinates,has disorder","200104","2020-10-21","18:00:00",""
"7120614","21.647","0.0005","22.0832","0.0005","14.1759","0.0003","90","","92.692","0.002","90","","6769.1","0.3","100","0.16","100","0.16","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C62 H84 N22 O7 S -","- C62 H84 N22 O7 S -","- C248 H336 N88 O28 S4 -","4","0.5","","Wang, Hailong; Bao, Zongbi; Wu, Hui; Lin, Rui-Biao; Zhou, Wei; Hu, Tong-Liang; Li, Bin; Zhao, John Cong-Gui; Chen, Banglin","Two solvent-induced porous hydrogen-bonded organic frameworks: solvent effects on structures and functionalities","Chem. Commun.","2017","","","","","10.1039/C7CC06187K","","","1.54178","CuKα","","0.1369","0.1243","","","0.3612","0.3846","","","","","","1.708","","","","has coordinates,has disorder","200190","2020-10-21","18:00:00",""
"7120615","34.2654","0.0009","22.1261","0.0009","9.8254","0.0003","90","","105.358","0.002","90","","7183.2","0.4","100","0.16","100","0.16","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C46 H56 N20 O4 S4 -","- C46 H56 N20 O4 S4 -","- C184 H224 N80 O16 S16 -","4","0.5","","Wang, Hailong; Bao, Zongbi; Wu, Hui; Lin, Rui-Biao; Zhou, Wei; Hu, Tong-Liang; Li, Bin; Zhao, John Cong-Gui; Chen, Banglin","Two solvent-induced porous hydrogen-bonded organic frameworks: solvent effects on structures and functionalities","Chem. Commun.","2017","","","","","10.1039/C7CC06187K","","","1.54184","CuKα","","0.0973","0.0819","","","0.2228","0.2344","","","","","","1.095","","","","has coordinates,has disorder","200190","2020-10-21","18:00:00",""
"7120616","26.342","0.0019","8.9941","0.0007","20.0725","0.0013","90","","130.74","0.007","90","","3603.2","0.6","295","2","295","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C20 H15 Cl O4 S -","- C20 H15 Cl O4 S -","- C160 H120 Cl8 O32 S8 -","8","1","","Zhang, Youquan; Yu, aimin; jia, jiru; Ma, Shanshan; Li, Ke; Wei, Yin; Meng, Xiangtai","NaH promoted [4+3] annulation of crotonate-derived sulfur ylides and thioaurones: synthesis of 2,5-dihydrobenzo[4,5] thieno[3,2-b]oxepine","Chem. Commun.","2017","","","","","10.1039/C7CC04466F","","","1.54178","CuKα","","0.0582","0.044","","","0.1124","0.1212","","","","","","1.01","","","","has coordinates","200191","2020-10-21","18:00:00",""
"7120617","8.111","0.002","7.5844","0.0017","10.765","0.003","90","","104.27","0.03","90","","641.8","0.3","293","2","293","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C16 H12 O S -","- C16 H12 O S -","- C32 H24 O2 S2 -","2","1","","Zhang, Youquan; Yu, aimin; jia, jiru; Ma, Shanshan; Li, Ke; Wei, Yin; Meng, Xiangtai","NaH promoted [4+3] annulation of crotonate-derived sulfur ylides and thioaurones: synthesis of 2,5-dihydrobenzo[4,5] thieno[3,2-b]oxepine","Chem. Commun.","2017","","","","","10.1039/C7CC04466F","","x-ray","0.71073","MoKα","","0.0754","0.0563","","","0.1416","0.178","","","","","","1.015","","","","has coordinates","200191","2020-10-21","18:00:00",""
"7120618","8.811","0.004","7.488","0.004","13.687","0.007","90","","107.942","0.012","90","","859.1","0.7","113","2","113","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C20 H15 Br O3 S -","- C20 H15 Br O3 S -","- C40 H30 Br2 O6 S2 -","2","1","","Zhang, Youquan; Yu, aimin; jia, jiru; Ma, Shanshan; Li, Ke; Wei, Yin; Meng, Xiangtai","NaH promoted [4+3] annulation of crotonate-derived sulfur ylides and thioaurones: synthesis of 2,5-dihydrobenzo[4,5] thieno[3,2-b]oxepine","Chem. Commun.","2017","","","","","10.1039/C7CC04466F","","","0.71073","MoKα","","0.0249","0.0238","","","0.0559","0.0561","","","","","","1.003","","","","has coordinates","200191","2020-10-21","18:00:00",""
"7120619","9.7083","0.0011","13.4391","0.0012","14.4317","0.0014","90","","98.335","0.01","90","","1863","0.3","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C20 H15 Cl O5 S -","- C20 H15 Cl O5 S -","- C80 H60 Cl4 O20 S4 -","4","1","","Zhang, Youquan; Yu, aimin; jia, jiru; Ma, Shanshan; Li, Ke; Wei, Yin; Meng, Xiangtai","NaH promoted [4+3] annulation of crotonate-derived sulfur ylides and thioaurones: synthesis of 2,5-dihydrobenzo[4,5] thieno[3,2-b]oxepine","Chem. Commun.","2017","","","","","10.1039/C7CC04466F","","","0.71073","MoKα","","0.1377","0.1255","","","0.3213","0.3277","","","","","","1.155","","","","has coordinates","200191","2020-10-21","18:00:00",""
"7120620","10.3795","0.0003","10.7062","0.0004","20.4813","0.0004","101.776","0.002","91.061","0.002","115.639","0.003","1993.93","0.12","100","","100","2","","","","","","","","4","P -1","-P 1","2","","","","- C96 H122 Ca2 N4 -","- C96 H122 Ca2 N4 -","- C96 H122 Ca2 N4 -","1","0.5","","Causero, Andrea; Elsen, Holger; Ballmann, Gerd; Escalona, Ana; Harder, Sjoerd","Calcium stilbene complexes: structures and dual reactivity","Chem. Commun.","2017","","","","","10.1039/C7CC05792J","","","1.54184","CuKα","","0.0526","0.047","","","0.1255","0.1314","","","","","","1.033","","","","has coordinates","200256","2020-10-21","18:00:00",""
"7120621","14.43516","0.00013","10.43114","0.00011","27.6902","0.0003","90","","100.763","0.001","90","","4096.11","0.07","100","0.1","100","0.1","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C96 H122 Ca2 N4 -","- C96 H122 Ca2 N4 -","- C192 H244 Ca4 N8 -","2","0.5","","Causero, Andrea; Elsen, Holger; Ballmann, Gerd; Escalona, Ana; Harder, Sjoerd","Calcium stilbene complexes: structures and dual reactivity","Chem. Commun.","2017","","","","","10.1039/C7CC05792J","","x-ray","1.54184","CuKα","","0.0423","0.0387","","","0.1002","0.104","","","","","","1.029","","","","has coordinates","200256","2020-10-21","18:00:00",""
"7120622","29.2848","0.0009","29.2848","0.0009","23.2122","0.0005","90","","90","","120","","17239.8","0.8","100.01","0.1","100.01","0.1","","","","","","","","6","R -3","-R 3","148","","","","- C74 H118 Ca2 I2 N4 O4 -","- C74 H118 Ca2 I2 N4 O4 -","- C666 H1062 Ca18 I18 N36 O36 -","9","","","Causero, Andrea; Elsen, Holger; Ballmann, Gerd; Escalona, Ana; Harder, Sjoerd","Calcium stilbene complexes: structures and dual reactivity","Chem. Commun.","2017","","","","","10.1039/C7CC05792J","","x-ray","0.71073","MoKα","","0.065","0.0441","","","0.0848","0.0984","","","","","","1.116","","","","has coordinates","200256","2020-10-21","18:00:00",""
"7120623","22.853","0.0003","14.1212","0.0002","22.8872","0.0003","90","","98.244","0.002","90","","7309.65","0.17","100","1","100","1","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C64 H68 O14 Si12 -","- C64 H68 O14 Si12 -","- C256 H272 O56 Si48 -","4","1","","Mituła, K.; Duszczak, J.; Brząkalski, D.; Dudziec, B.; Kubicki, M.; Marciniec, B.","Tetra-functional double-decker silsesquioxanes as anchors for reactive functional groups and potential synthons for hybrid materials","Chem. Commun.","2017","","","","","10.1039/C7CC03958A","","x-ray","0.71073","MoKα","","0.0498","0.0394","","","0.1047","0.1111","","","","","","1.026","","","","has coordinates","200257","2020-10-21","18:00:00",""
"7120624","12.927","0.002","21.826","0.003","26.008","0.004","90","","90","","90","","7338","1.9","100","1","100","1","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C64 H76 O14 Si12 -","- C64 H76 O14 Si12 -","- C256 H304 O56 Si48 -","4","1","","Mituła, K.; Duszczak, J.; Brząkalski, D.; Dudziec, B.; Kubicki, M.; Marciniec, B.","Tetra-functional double-decker silsesquioxanes as anchors for reactive functional groups and potential synthons for hybrid materials","Chem. Commun.","2017","","","","","10.1039/C7CC03958A","","","0.7107","MoKα","","0.0643","0.0468","","","0.0863","0.0928","","","","","","1.033","","","","has coordinates","200258","2020-10-21","18:00:00",""
"7120625","12.6679","0.0011","12.7069","0.001","13.3265","0.001","77.041","0.006","62.164","0.008","62.244","0.008","1678.6","0.3","100","1","100","1","","","","","","","","4","P -1","-P 1","2","","","","- C56 H68 O14 Si12 -","- C56 H68 O14 Si12 -","- C56 H68 O14 Si12 -","1","0.5","","Mituła, K.; Duszczak, J.; Brząkalski, D.; Dudziec, B.; Kubicki, M.; Marciniec, B.","Tetra-functional double-decker silsesquioxanes as anchors for reactive functional groups and potential synthons for hybrid materials","Chem. Commun.","2017","","","","","10.1039/C7CC03958A","","x-ray","0.71073","MoKα","","0.0598","0.0416","","","0.1024","0.1107","","","","","","1.039","","","","has coordinates","200259","2020-10-21","18:00:00",""
"7120626","9.8833","0.0013","12.3066","0.0016","12.4078","0.0015","61.578","0.002","71.152","0.002","72.508","0.002","1236.4","0.3","296","2","296","2","","","","","","","","5","P -1","-P 1","2","","","","- C26 H29 N O6 S -","- C26 H29 N O6 S -","- C52 H58 N2 O12 S2 -","2","1","","zhou, nengneng; Cheng, Yixiang; Xie, Jin; Zhu, Chengjian","Photosensitizer-free, harnessing sunlight for highly efficient consecutive [3+2]/[4+2] annulation to fused benzobicyclic skeletons","Chem. Commun.","2017","","","","","10.1039/C7CC06548E","","","0.71073","MoKα","","0.1217","0.058","","","0.1509","0.1983","","","","","","0.982","","","","has coordinates","200355","2020-10-21","18:00:00",""
"7120627","10.6945","0.0011","13.2531","0.0012","13.4125","0.0013","100.913","0.002","112.5","0.003","104.312","0.002","1614","0.3","298","2","298","2","","","","","","","","3","P -1","-P 1","2","","","","- C42 H32 O3 -","- C42 H32 O3 -","- C84 H64 O6 -","2","1","","Jiang, Bo; Liu, Shuai; Chen, Ke; Lan, Xin-Chan; Hao, Wen-Juan; Li, Guigen; Tu, Shu-Jiang","Synergistic silver/scandium catalysis for divergent synthesis of skeletally diverse chromene derivatives","Chem. Commun.","2017","","","","","10.1039/C7CC05563C","","","0.71073","MoKα","","0.2165","0.0797","","","0.1483","0.1759","","","","","","0.976","","","","has coordinates","200356","2020-10-21","18:00:00",""
"7120628","10.2056","0.0008","9.38","0.0007","22.1929","0.0019","90","","93.263","0.001","90","","2121","0.3","298","2","298","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C29 H22 O2 -","- C29 H22 O2 -","- C116 H88 O8 -","4","1","","Jiang, Bo; Liu, Shuai; Chen, Ke; Lan, Xin-Chan; Hao, Wen-Juan; Li, Guigen; Tu, Shu-Jiang","Synergistic silver/scandium catalysis for divergent synthesis of skeletally diverse chromene derivatives","Chem. Commun.","2017","","","","","10.1039/C7CC05563C","","","0.71073","MoKα","","0.0894","0.0419","","","0.0897","0.1071","","","","","","1.01","","","","has coordinates","206958","2020-10-21","18:00:00",""
"7120629","6.5067","0.0006","12.6104","0.0011","14.302","0.0013","68.697","0.001","85.553","0.002","78.613","0.001","1071.78","0.17","298","2","298","2","","","","","","","","3","P -1","-P 1","2","","","","- C30 H22 O -","- C30 H22 O -","- C60 H44 O2 -","2","1","","Jiang, Bo; Liu, Shuai; Chen, Ke; Lan, Xin-Chan; Hao, Wen-Juan; Li, Guigen; Tu, Shu-Jiang","Synergistic silver/scandium catalysis for divergent synthesis of skeletally diverse chromene derivatives","Chem. Commun.","2017","","","","","10.1039/C7CC05563C","","","0.71073","MoKα","","0.1518","0.0646","","","0.1422","0.1703","","","","","","1.038","","","","has coordinates","200356","2020-10-21","18:00:00",""
"7120630","32.699","0.0013","32.699","0.0013","32.699","0.0013","90","","90","","90","","34963","2","100","2","100","","","","","","","","","3","F m -3 m","-F 4 2 3","225","","PolyUiO-68-10a-u","","- C114 O38 Zr6 -","- C114 O38 Zr6 -","- C456 O152 Zr24 -","4","0.0208333","","Schukraft, Giulia Elena Maria; Ayala, Sergio; Dick, Benjamin L.; Cohen, Seth M.","Isoreticular Expansion of polyMOFs Achieves High Surface Area Materials","Chem. Commun.","2017","","","","","10.1039/C7CC04222A","","x-ray","0.71073","MoKα","","0.0702","0.0597","","","0.1709","0.1801","","","","","","1.159","","","","has coordinates,has disorder","200502","2020-10-21","18:00:00",""
"7120631","11.121","0.0003","16.834","0.0012","9.341","0.0007","90","","113.213","0.003","90","","1607.17","0.18","200","2","200","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","pyrrolo indoles","","- C20 H17 N O3 -","- C20 H17 N O3 -","- C80 H68 N4 O12 -","4","1","","Singh, Sukhdev; Butani, Himanshu H.; Vachhani, Dipak D.; shah, Anamik; V. Van der Eycken, erik","Ruthenium-catalysed one-pot regio- and diastereoselective synthesis of pyrrolo[1,2-a]indoles via cascade C-H functionalization/annulation","Chem. Commun.","2017","","","","","10.1039/C7CC06276A","","","0.71073","MoKα","","0.065","0.0548","","","0.1104","0.1142","","","","","","1.127","","","","has coordinates","200503","2020-10-21","18:00:00",""
"7120632","17.476","0.0013","13.893","0.0011","8.302","0.0005","90","","96.346","0.004","90","","2003.3","0.2","200","2","200","2","","","","","","","","4","C 1 c 1","C -2yc","9","","Pyrrolo indoles","","- C26 H19 N O3 -","- C26 H19 N O3 -","- C104 H76 N4 O12 -","4","1","","Singh, Sukhdev; Butani, Himanshu H.; Vachhani, Dipak D.; shah, Anamik; V. Van der Eycken, erik","Ruthenium-catalysed one-pot regio- and diastereoselective synthesis of pyrrolo[1,2-a]indoles via cascade C-H functionalization/annulation","Chem. Commun.","2017","","","","","10.1039/C7CC06276A","","","0.71073","MoKα","","0.0568","0.0495","","","0.1067","0.1109","","","","","","1.096","","","","has coordinates","200503","2020-10-21","18:00:00",""
"7120633","9.8379","0.0006","14.0414","0.0008","12.8082","0.0007","90","","98.623","0.003","90","","1749.3","0.18","147","2","147","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","D1574","","- C15 H24 B N3 O5 -","- C15 H24 B N3 O5 -","- C60 H96 B4 N12 O20 -","4","1","","Liew, Sean K.; Holownia, Aleksandra E.; Diaz, Diego B.; Cistrone, Philip A.; Dawson, Philip Edward; Yudin, Andrei K.","Borylated Oximes: Versatile Building Blocks for Organic Synthesis","Chem. Commun.","2017","","","","","10.1039/C7CC06579E","","","1.54178","CuKα","","0.0339","0.0313","","","0.0805","0.0824","","","","","","1.047","","","","has coordinates","200504","2020-10-21","18:00:00",""
"7120634","8.4714","0.0012","12.6613","0.0016","13.5401","0.0019","68.172","0.004","75.764","0.004","71.127","0.004","1262.6","0.3","296","2","296","2","","","","","","","","7","P -1","-P 1","2","","","","- C10 H24 Br2 Cl5 N2 O7 Pu -","- C10 H24 Br2 Cl5 N2 O7 Pu -","- C20 H48 Br4 Cl10 N4 O14 Pu2 -","2","1","","Surbella III, Robert Gian; Ducati, Lucas C.; Pellegrini, Kristi Lynn; McNamara, Bruce Kevin; Autschbach, Jochen; Schwantes, Jon Michael; Cahill, Chris","A new Pu(III) coordination geometry in (C5H5NBr)2[PuCl3(H2O)5] · 2Cl · 2H2O as obtained via supramolecular assembly in aqueous, high chloride media","Chem. Commun.","2017","","","","","10.1039/C7CC05988D","","x-ray","0.56086","AgKα","","0.0254","0.0234","","","0.0599","0.0608","","","","","","1.168","","","","has coordinates","200803","2020-10-21","18:00:00",""
"7120635","18.006","0.0004","11.416","0.0002","18.117","0.0004","90","","92.161","0.001","90","","3721.42","0.13","100","2","100","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C32 H42 N4 O9 Zn4 -","- C32 H42 N4 O9 Zn4 -","- C128 H168 N16 O36 Zn16 -","4","0.5","","Wróbel, Zbigniew; Pietrzak, Tomasz; Justyniak, Iwona; Lewinski, Janusz","Oxygenation of RZn(N,O)-type complexes as an efficient route to zinc alkoxides not accessible via classical alcoholysis path","Chem. Commun.","2017","","","","","10.1039/C7CC05818G","","","0.71073","MoKα","","0.0491","0.0372","","","0.0715","0.0755","","","","","","1.066","","","","has coordinates","200804","2020-10-21","18:00:00",""
"7120636","9.529","0.0002","11.443","0.0003","16.959","0.0005","95.452","0.001","92.72","0.002","101.483","0.002","1799.82","0.08","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","","","- C30 H45 N3 O9 Zn3 -","- C30 H45 N3 O9 Zn3 -","- C60 H90 N6 O18 Zn6 -","2","1","","Wróbel, Zbigniew; Pietrzak, Tomasz; Justyniak, Iwona; Lewinski, Janusz","Oxygenation of RZn(N,O)-type complexes as an efficient route to zinc alkoxides not accessible via classical alcoholysis path","Chem. Commun.","2017","","","","","10.1039/C7CC05818G","","","0.71073","MoKα","","0.0549","0.042","","","0.0777","0.0822","","","","","","1.089","","","","has coordinates","200804","2020-10-21","18:00:00",""
"7120637","16.1075","0.0008","33.2173","0.0019","18.7222","0.0008","90","","97.309","0.004","90","","9935.9","0.9","100","2","100","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C46 H60 N4 O12 Zn4 -","- C46 H60 N4 O12 Zn4 -","- C368 H480 N32 O96 Zn32 -","8","2","","Wróbel, Zbigniew; Pietrzak, Tomasz; Justyniak, Iwona; Lewinski, Janusz","Oxygenation of RZn(N,O)-type complexes as an efficient route to zinc alkoxides not accessible via classical alcoholysis path","Chem. Commun.","2017","","","","","10.1039/C7CC05818G","","","0.71073","MoKα","","0.1295","0.0626","","","0.0941","0.1127","","","","","","0.929","","","","has coordinates","200804","2020-10-21","18:00:00",""
"7120638","14.2805","0.0006","14.2903","0.0006","20.9698","0.001","82.129","0.003","83.435","0.003","63.201","0.002","3777","0.3","100","2","100","2","","","","","","","","7","P -1","-P 1","2","","","","- C48 H20 Al2 F72 N8 O8 Sn -","- C48 H20 Al2 F72 N8 O8 Sn -","- C96 H40 Al4 F144 N16 O16 Sn2 -","2","1","","Schleep, Mario; Hettich, Clarissa; Kratzert, Daniel; Scherer, Harald; Krossing, Ingo","Two Synthetic Approaches for the Preparation of Tin(II) Dications","Chem. Commun.","2017","","","","","10.1039/C7CC06201J","","","0.71073","MoKα","","0.0961","0.0531","","","0.128","0.147","","","","","","1.021","","","","has coordinates,has disorder","200805","2020-10-21","18:00:00",""
"7120639","26.8462","0.0012","22.2195","0.001","27.4111","0.0013","90","","112.914","0.002","90","","15060.7","1.2","100","2","100","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C88 H36 Al4 F144 N12 O16 Sn2 -","- C88 H36 Al4 F144 N12 O16 Sn2 -","- C352 H144 Al16 F576 N48 O64 Sn8 -","4","1","","Schleep, Mario; Hettich, Clarissa; Kratzert, Daniel; Scherer, Harald; Krossing, Ingo","Two Synthetic Approaches for the Preparation of Tin(II) Dications","Chem. Commun.","2017","","","","","10.1039/C7CC06201J","","","0.71073","MoKα","","0.0976","0.0667","","","0.1456","0.1628","","","","","","1.102","","","","has coordinates,has disorder","200805","2020-10-21","18:00:00",""
"7120640","12.7762","0.0014","17.0556","0.0019","18.581","0.002","90","","90","","90","","4048.9","0.8","296","2","296","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C36 H55 Au2 Cl2 N3 O -","- C36 H55 Au2 Cl2 N3 O -","- C144 H220 Au8 Cl8 N12 O4 -","4","1","","Zhang, Jun; Chen, Haifeng; Wang, Jiwei; Hu, Zejun; Xu, Sheng; Shi, Min","Catalytic domino amination and oxidative coupling of gold acetylides and isolation of key vinylene digold intermediates as a new class of ditopic N-heterocyclic carbene complexes","Chem. Commun.","2017","","","","","10.1039/C7CC06069F","","","0.71073","MoKα","","0.0395","0.0264","","","0.0479","0.0514","","","","","","0.998","","","","has coordinates","200806","2020-10-21","18:00:00",""
"7120641","15.803","0.002","15.803","0.002","21.901","0.003","90","","90","","120","","4736.7","1.1","296","2","296","2","","","","","","","","6","P 32 2 1","P 32 2""","154","","","","- C58 H74 Au2 Cl4 N4 O2 -","- C58 H74 Au2 Cl4 N4 O2 -","- C174 H222 Au6 Cl12 N12 O6 -","3","0.5","","Zhang, Jun; Chen, Haifeng; Wang, Jiwei; Hu, Zejun; Xu, Sheng; Shi, Min","Catalytic domino amination and oxidative coupling of gold acetylides and isolation of key vinylene digold intermediates as a new class of ditopic N-heterocyclic carbene complexes","Chem. Commun.","2017","","","","","10.1039/C7CC06069F","","","0.71073","MoKα","","0.038","0.027","","","0.062","0.0669","","","","","","1.052","","","","has coordinates","200806","2020-10-21","18:00:00",""
"7120642","18.148","0.0012","18.4838","0.0012","19.8362","0.0014","90","","108.047","0.001","90","","6326.6","0.7","130","","130","","","","","","","","","9","P 1 21/n 1","-P 2yn","14","","","","- C66 H67 Au2 Cl2 F3 N2 O4 P2 S -","- C66 H67 Au2 Cl2 F3 N2 O4 P2 S -","- C264 H268 Au8 Cl8 F12 N8 O16 P8 S4 -","4","1","","Zhang, Jun; Chen, Haifeng; Wang, Jiwei; Hu, Zejun; Xu, Sheng; Shi, Min","Catalytic domino amination and oxidative coupling of gold acetylides and isolation of key vinylene digold intermediates as a new class of ditopic N-heterocyclic carbene complexes","Chem. Commun.","2017","","","","","10.1039/C7CC06069F","","","0.71073","MoKα","","0.0327","0.0251","","","0.0547","0.0582","","","","","","1.034","","","","has coordinates","200806","2020-10-21","18:00:00",""
"7120643","26.6485","0.0013","26.6485","0.0013","22.8335","0.0019","90","","90","","120","","14042.6","1.5","173","0.14","173","0.14","","","","","","","","7","R 3 2","R 3 2""","155","","","","- C138 H108 Au11 B5 F20 N6 P8 -","- C138 H108 Au11 B7.9998 F19.9992 N6 P8 -","- C414 H324 Au33 B23.9994 F59.9976 N18 P24 -","3","","","Lei, Zhen; Zhang, Jin-Yuan; Guan, Zong-Jie; Wang, Quan-Ming","Intensely luminescent gold(I) phosphinopyridyl clusters: visualization of unsupported aurophilic interactions in solution","Chem. Commun.","2017","","","","","10.1039/C7CC06944H","","","0.71073","MoKα","","0.0693","0.056","","","0.1593","0.1704","","","","","","1.065","","","","has coordinates","200807","2020-10-21","18:00:00",""
"7120644","24.8293","0.0003","19.8167","0.0002","27.5843","0.0004","90","","90","","90","","13572.4","0.3","173","0.14","173","0.14","","","","","","","","7","P n a 21","P 2c -2n","33","","","","- C102 H78 Au9 B3 F12 N6 P6 -","- C102 H78 Au9 B3 F12 N6 P6 -","- C408 H312 Au36 B12 F48 N24 P24 -","4","1","","Lei, Zhen; Zhang, Jin-Yuan; Guan, Zong-Jie; Wang, Quan-Ming","Intensely luminescent gold(I) phosphinopyridyl clusters: visualization of unsupported aurophilic interactions in solution","Chem. Commun.","2017","","","","","10.1039/C7CC06944H","","","1.54184","CuKα","","0.0708","0.0688","","","0.1826","0.1854","","","","","","1.064","","","","has coordinates","200807","2020-10-21","18:00:00",""
"7120645","34.79","0.07","5.967","0.012","23.94","0.05","90","","126.1","0.05","90","","4016","14","93","2","93","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C17 H11 F17 O3 -","- C17 H11 F17 O3 -","- C136 H88 F136 O24 -","8","1","","Hossain, Md. Jakir; Ono, Toshikazu; Wakiya, Kosuke; Hisaeda, Yoshio","A Vitamin B12 Derivative Catalyzed Electrochemical Trifluoromethylation and Perfluoroalkylation of Arenes and Heteroarenes in Organic Media","Chem. Commun.","2017","","","","","10.1039/C7CC06221D","","","0.71073","MoKα","","0.145","0.0694","","","0.1308","0.1664","","","","","","1.018","","","","has coordinates","200863","2020-10-21","18:00:00",""
"7120646","7.7087","0.0017","26.381","0.006","7.3447","0.0016","90","","90","","90","","1493.6","0.6","296","2","296","2","","","","","","","","4","P n a 21","P 2c -2n","33","","","","- C13 H11 F9 O3 -","- C13 H11 F9 O3 -","- C52 H44 F36 O12 -","4","1","","Hossain, Md. Jakir; Ono, Toshikazu; Wakiya, Kosuke; Hisaeda, Yoshio","A Vitamin B12 Derivative Catalyzed Electrochemical Trifluoromethylation and Perfluoroalkylation of Arenes and Heteroarenes in Organic Media","Chem. Commun.","2017","","","","","10.1039/C7CC06221D","","","0.71073","MoKα","","0.0556","0.0389","","","0.0876","0.109","","","","","","1.101","","","","has coordinates","200863","2020-10-21","18:00:00",""
"7120647","15.585","0.011","4.968","0.004","17.834","0.013","90","","107.188","0.013","90","","1319.2","1.7","100","2","100","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C12 H11 F7 O3 -","- C12 H11 F7 O3 -","- C48 H44 F28 O12 -","4","1","","Hossain, Md. Jakir; Ono, Toshikazu; Wakiya, Kosuke; Hisaeda, Yoshio","A Vitamin B12 Derivative Catalyzed Electrochemical Trifluoromethylation and Perfluoroalkylation of Arenes and Heteroarenes in Organic Media","Chem. Commun.","2017","","","","","10.1039/C7CC06221D","","","0.71073","MoKα","","0.1319","0.0837","","","0.1895","0.2324","","","","","","1.087","","","","has coordinates","200863","2020-10-21","18:00:00",""
"7120648","9.7627","0.0019","10.491","0.002","20.351","0.004","90","","90.785","0.003","90","","2084.2","0.7","100","2","100","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C10 H11 F3 O3 -","- C10 H11 F3 O3 -","- C80 H88 F24 O24 -","8","1","","Hossain, Md. Jakir; Ono, Toshikazu; Wakiya, Kosuke; Hisaeda, Yoshio","A Vitamin B12 Derivative Catalyzed Electrochemical Trifluoromethylation and Perfluoroalkylation of Arenes and Heteroarenes in Organic Media","Chem. Commun.","2017","","","","","10.1039/C7CC06221D","","","0.71073","MoKα","","0.0664","0.0437","","","0.1055","0.1181","","","","","","1.059","","","","has coordinates","200863","2020-10-21","18:00:00",""
"7120649","39.651","0.003","5.9379","0.0005","24.59","0.002","90","","126.93","0.001","90","","4628","0.6","100","2","100","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C19 H11 F21 O3 -","- C19 H11 F21 O3 -","- C152 H88 F168 O24 -","8","1","","Hossain, Md. Jakir; Ono, Toshikazu; Wakiya, Kosuke; Hisaeda, Yoshio","A Vitamin B12 Derivative Catalyzed Electrochemical Trifluoromethylation and Perfluoroalkylation of Arenes and Heteroarenes in Organic Media","Chem. Commun.","2017","","","","","10.1039/C7CC06221D","","","0.71073","MoKα","","0.0677","0.043","","","0.1111","0.1266","","","","","","1.066","","","","has coordinates","200863","2020-10-21","18:00:00",""
"7120650","7.024","0.003","8.522","0.003","23.918","0.009","90","","96.184","0.006","90","","1423.4","1","100","2","100","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C14 H10 F9 N -","- C14 H10 F9 N -","- C56 H40 F36 N4 -","4","1","","Hossain, Md. Jakir; Ono, Toshikazu; Wakiya, Kosuke; Hisaeda, Yoshio","A Vitamin B12 Derivative Catalyzed Electrochemical Trifluoromethylation and Perfluoroalkylation of Arenes and Heteroarenes in Organic Media","Chem. Commun.","2017","","","","","10.1039/C7CC06221D","","","0.71073","MoKα","","0.095","0.0667","","","0.1816","0.2111","","","","","","1.083","","","","has coordinates","200863","2020-10-21","18:00:00",""
"7120651","7.192","0.003","9.755","0.004","14.736","0.007","83.238","0.007","76.919","0.007","81.099","0.007","991.2","0.7","100","2","100","2","","","","","","","","4","P -1","-P 1","2","","","","- C18 H10 F17 N -","- C18 H10 F17 N -","- C36 H20 F34 N2 -","2","1","","Hossain, Md. Jakir; Ono, Toshikazu; Wakiya, Kosuke; Hisaeda, Yoshio","A Vitamin B12 Derivative Catalyzed Electrochemical Trifluoromethylation and Perfluoroalkylation of Arenes and Heteroarenes in Organic Media","Chem. Commun.","2017","","","","","10.1039/C7CC06221D","","","0.71073","MoKα","","0.1324","0.0713","","","0.1878","0.2371","","","","","","1.105","","","","has coordinates","200863","2020-10-21","18:00:00",""
"7120652","8.3629","0.0007","8.6815","0.0007","9.7649","0.0008","84.686","0.001","69.851","0.001","79.621","0.001","654.32","0.09","93","2","93","2","","","","","","","","4","P -1","-P 1","2","","","","- C12 H11 F7 O3 -","- C12 H11 F7 O3 -","- C24 H22 F14 O6 -","2","1","","Hossain, Md. Jakir; Ono, Toshikazu; Wakiya, Kosuke; Hisaeda, Yoshio","A Vitamin B12 Derivative Catalyzed Electrochemical Trifluoromethylation and Perfluoroalkylation of Arenes and Heteroarenes in Organic Media","Chem. Commun.","2017","","","","","10.1039/C7CC06221D","","","0.71073","MoKα","","0.0413","0.0366","","","0.0959","0.1008","","","","","","1.348","","","","has coordinates","200863","2020-10-21","18:00:00",""
"7120653","11.558","0.003","16.573","0.005","13.868","0.004","90","","109.866","0.005","90","","2498.3","1.2","296","2","296.15","","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C34.5 H19 Cl F2 O2 -","- C34.5 H19 Cl F2 O2 -","- C138 H76 Cl4 F8 O8 -","4","1","","Lei, Zuhai; Yue, Ping; Wang, Xueli; Li, Xinran; Li, Yi; He, Haihong; Luo, Xiao; Meng, Xiangming; Chen, Jinquan; Qian, Xu Hong; Yang, Youjun C.","TPZ, a bright centrosymmetric two-photon scaffold for bioimaging","Chem. Commun.","2017","","","","","10.1039/C7CC06031A","","","0.71073","MoKα","","0.1182","0.0519","","","0.1358","0.176","","","","","","1.04","","","","has coordinates","200864","2020-10-21","18:00:00",""
"7120654","8.3123","0.0004","14.6491","0.0007","16.8544","0.0007","101.046","0.0014","91.1618","0.0014","105.322","0.0014","1937.24","0.16","100","2","99.98","","","","","","","","","7","P -1","-P 1","2","","","","- C42 H28 B Cl3 F2 N8 O5 -","- C42 H28 B Cl3 F2 N8 O5 -","- C84 H56 B2 Cl6 F4 N16 O10 -","2","1","","Wu, Dan; O'Shea, Donal","Fluorogenic NIR-Probes Based on 1,2,4,5-Tetrazine Substituted BF2-Azadipyrromethenes","Chem. Commun.","2017","","","","","10.1039/C7CC06545K","","x-ray","0.71073","MoKα","","0.1115","0.059","","","0.1385","0.1602","","","","","","1.025","","","","has coordinates","200865","2020-10-21","18:00:00",""
"7120655","9.834","0.009","5.686","0.005","35.79","0.03","90","","93.958","0.011","90","","1996","3","93","2","93","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C20 H32 Br N O -","- C20 H32 Br N O -","- C80 H128 Br4 N4 O4 -","4","1","","Houjou, Hirohiko; Ikedo, Hana; Yoshikawa, Isao","Single-crystal UV-Vis spectroscopic examination of a striking odd-even effect on structure and chromic behaviour of salicylidene alkylamines","Chem. Commun.","2017","","","","","10.1039/C7CC06268K","","","0.71075","MoKα","","0.0736","0.054","","","0.094","0.1019","","","","","","1.055","","","","has coordinates","200909","2020-10-21","18:00:00",""
"7120656","14.1","0.011","5.993","0.004","29.53","0.02","90","","102.576","0.007","90","","2435","3","93","2","93","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C14 H12 Br N O -","- C14 H12 Br N O -","- C112 H96 Br8 N8 O8 -","8","2","","Houjou, Hirohiko; Ikedo, Hana; Yoshikawa, Isao","Single-crystal UV-Vis spectroscopic examination of a striking odd-even effect on structure and chromic behaviour of salicylidene alkylamines","Chem. Commun.","2017","","","","","10.1039/C7CC06268K","","","0.71075","MoKα","","0.0781","0.0539","","","0.114","0.127","","","","","","1.053","","","","has coordinates","200909","2020-10-21","18:00:00",""
"7120657","9.9934","0.0016","5.7714","0.0008","35.925","0.005","90","","93.957","0.008","90","","2067.1","0.5","253","2","253","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C20 H32 Br N O -","- C20 H32 Br N O -","- C80 H128 Br4 N4 O4 -","4","1","","Houjou, Hirohiko; Ikedo, Hana; Yoshikawa, Isao","Single-crystal UV-Vis spectroscopic examination of a striking odd-even effect on structure and chromic behaviour of salicylidene alkylamines","Chem. Commun.","2017","","","","","10.1039/C7CC06268K","","","0.71075","MoKα","","0.0571","0.044","","","0.1025","0.1096","","","","","","1.077","","","","has coordinates","200909","2020-10-21","18:00:00",""
"7120658","9.912","0.008","5.689","0.004","39.13","0.03","90","","95.81","0.02","90","","2195","3","253","2","253","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C22 H36 Br N O -","- C22 H36 Br N O -","- C88 H144 Br4 N4 O4 -","4","1","","Houjou, Hirohiko; Ikedo, Hana; Yoshikawa, Isao","Single-crystal UV-Vis spectroscopic examination of a striking odd-even effect on structure and chromic behaviour of salicylidene alkylamines","Chem. Commun.","2017","","","","","10.1039/C7CC06268K","","","1.54187","CuKα","","0.0949","0.0819","","","0.2313","0.2545","","","","","","1.072","","","","has coordinates","200909","2020-10-21","18:00:00",""
"7120659","9.739","0.009","5.587","0.005","42.62","0.04","90","","96.4","0.02","90","","2305","4","93","2","93","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C24 H40 Br N O -","- C24 H40 Br N O -","- C96 H160 Br4 N4 O4 -","4","1","","Houjou, Hirohiko; Ikedo, Hana; Yoshikawa, Isao","Single-crystal UV-Vis spectroscopic examination of a striking odd-even effect on structure and chromic behaviour of salicylidene alkylamines","Chem. Commun.","2017","","","","","10.1039/C7CC06268K","","","1.54187","CuKα","","0.1359","0.1065","","","0.2571","0.3209","","","","","","1.082","","","","has coordinates","200909","2020-10-21","18:00:00",""
"7120660","14.73","0.006","6.093","0.002","14.524","0.007","90","","102.29","0.008","90","","1273.7","0.9","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C14 H12 Br N O -","- C14 H12 Br N O -","- C56 H48 Br4 N4 O4 -","4","1","","Houjou, Hirohiko; Ikedo, Hana; Yoshikawa, Isao","Single-crystal UV-Vis spectroscopic examination of a striking odd-even effect on structure and chromic behaviour of salicylidene alkylamines","Chem. Commun.","2017","","","","","10.1039/C7CC06268K","","","0.71075","MoKα","","0.1162","0.0513","","","0.1138","0.138","","","","","","0.99","","","","has coordinates","200909","2020-10-21","18:00:00",""
"7120661","9.769","0.012","5.613","0.007","39.16","0.05","90","","96.05","0.05","90","","2135","5","93","2","93","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C22 H36 Br N O -","- C22 H36 Br N O -","- C88 H144 Br4 N4 O4 -","4","1","","Houjou, Hirohiko; Ikedo, Hana; Yoshikawa, Isao","Single-crystal UV-Vis spectroscopic examination of a striking odd-even effect on structure and chromic behaviour of salicylidene alkylamines","Chem. Commun.","2017","","","","","10.1039/C7CC06268K","","","1.54187","CuKα","","0.0776","0.067","","","0.1752","0.1937","","","","","","1.037","","","","has coordinates","200909","2020-10-21","18:00:00",""
"7120662","57.2329","0.0015","18.4351","0.0006","38.9112","0.0011","90","","90","","90","","41055","2","100","2","100","2","","","","","","","","6","F d d 2","F 2 -2d","43","","","","- C64 H106 As Na O12 W -","- C64 H106 As Na O12 W -","- C1536 H2544 As24 Na24 O288 W24 -","24","1.5","","Cummins, Christopher; Transue, Wesley J.; Joost, Maximilian","Terminal tungsten pnictide complex formation through pnictaethynolate decarbonylation","Chem. Commun.","2017","","","","","10.1039/C7CC06841G","","","0.71073","MoKα","","0.0537","0.0332","","","0.0662","0.0764","","","","","","1.108","","","","has coordinates,has disorder","287753","2023-11-23","09:34:45",""
"7120663","18.4968","0.0009","19.2772","0.001","19.4013","0.001","90","","95.713","0.002","90","","6883.5","0.6","100","2","100","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C72 H120 N2 O6 W -","- C72 H120 N2 O6 W -","- C288 H480 N8 O24 W4 -","4","1","","Cummins, Christopher; Transue, Wesley J.; Joost, Maximilian","Terminal tungsten pnictide complex formation through pnictaethynolate decarbonylation","Chem. Commun.","2017","","","","","10.1039/C7CC06841G","","","0.71073","MoKα","","0.0451","0.0292","","","0.0626","0.0677","","","","","","1.024","","","","has coordinates,has disorder","200910","2020-10-21","18:00:00",""
"7120664","22.136","0.015","13.925","0.01","22.594","0.015","90","","106.996","0.01","90","","6660","8","100","2","100","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C60 H98 Na O10 P W -","- C60 H98 Na O10 P W -","- C240 H392 Na4 O40 P4 W4 -","4","1","","Cummins, Christopher; Transue, Wesley J.; Joost, Maximilian","Terminal tungsten pnictide complex formation through pnictaethynolate decarbonylation","Chem. Commun.","2017","","","","","10.1039/C7CC06841G","","","0.71073","MoKα","","0.044","0.0274","","","0.0601","0.0681","","","","","","1.043","","","","has coordinates,has disorder","200910","2020-10-21","18:00:00",""
"7120665","11.8347","0.0003","19.7159","0.0005","14.9148","0.0004","90","","91.806","0.007","90","","3478.37","0.16","112","2","112","2","","","","","","","","5","P 1 21 1","P 2yb","4","","(η^5^-3,4-diphenyl-1-(2,4,6-trimethylphenyl)-2,5-bis(trimethylsilyl)-1-silacyclopentadien-1-yl)-tetrahydrofuran-lithium","","- C35 H47 Li O Si3 -","- C35 H47 Li O Si3 -","- C140 H188 Li4 O4 Si12 -","4","2","","Fekete, Csaba; Kovacs, Ilona; Nyulaszi, Laszlo; Holczbauer, Tamas","Planar lithium silolide: Aromaticity, with significant contribution of non-classical resonance structure","Chem. Commun.","2017","","","","","10.1039/C7CC07004G","","","1.54178","CuKα","","0.0558","0.0469","","","0.0988","0.1061","","","","","","1.045","","","","has coordinates","200911","2020-10-21","18:00:00",""
"7120666","16.8486","0.0006","11.1632","0.0004","10.9951","0.0005","90","","104.09","0.003","90","","2005.79","0.14","100","2","100","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","cyclohexyldimethylammonium bicarbonate","cyclohexyldimethylammonium bicarbonate","","- C9 H19 N O3 -","- C9 H19 N O3 -","- C72 H152 N8 O24 -","8","2","","McNally, Joshua S.; Wang, Xiaoping; hoffmann, christina; Wilson, Aaron Doyle","Self-assembly of molecular ions via like-charge ion interactions and through-space defined organic domains","Chem. Commun.","2017","","","","","10.1039/C7CC06401B","","","0.7","neutrons","","0.0547","0.0491","","","0.0687","0.0699","","","","","","1.195","","","","has coordinates","206489","2020-10-21","18:00:00",""
"7120667","10.9166","0.0017","13.444","0.002","16.223","0.003","90","","97.171","0.002","90","","2362.3","0.7","173","2","173","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C22 H32 B Co N3 O3 -","- C22 H32 B Co N3 O3 -","- C88 H128 B4 Co4 N12 O12 -","4","1","","Reinig, Regina R.; Fought, Ellie L.; Ellern, Arkady; Windus, Theresa L.; Sadow, Aaron D.","Rapid and ordered carbonylation and oxygenation of a cobalt(II) methyl","Chem. Commun.","2017","","","","","10.1039/C7CC06339C","","","0.71073","MoKα","","0.0505","0.0337","","","0.0794","0.088","","","","","","0.998","","","","has coordinates","200949","2020-10-21","18:00:00",""
"7120668","23.0742","0.0004","23.0742","0.0004","18.6187","0.0008","90","","90","","90","","9912.9","0.5","173","2","173","2","","","","","","","","5","P 42/m m c","-P 4c 2","131","LIFM-94","","","- C104 H76 N12 O34 Zr6 -","- C104 H76 N12 O34 Zr6 -","- C208 H152 N24 O68 Zr12 -","2","0.125","","Chen, Cheng-Xia; Qiu, Qian-feng; Cao, Chen-Chen; Pan, Mei; Wang, Hai-Ping; Jiang, Ji-Jun; Wei, Zhang-Wen; Zhu, Kelong; Li, Guangqin; Su, Cheng-Yong","Stepwise Engineering Pore Environment and Enhancing CO2/R22 Adsorption Capacity through Dynamic Spacer Installation and Functionality Modification","Chem. Commun.","2017","","","","","10.1039/C7CC06352K","","","1.54184","CuKα","","0.1265","0.0926","","","0.2422","0.2878","","","","","","1.059","","","","has coordinates,has disorder","201000","2020-10-21","18:00:00",""
"7120669","23.1092","0.0001","23.1092","0.0001","18.7957","0.0003","90","","90","","90","","10037.6","0.17","173","2","173","2","","","","","","","","5","P 42/m m c","-P 4c 2","131","LIFM-92","","","- C102 H74 N6 O32 Zr6 -","- C102 H74 N6 O32 Zr6 -","- C204 H148 N12 O64 Zr12 -","2","0.125","","Chen, Cheng-Xia; Qiu, Qian-feng; Cao, Chen-Chen; Pan, Mei; Wang, Hai-Ping; Jiang, Ji-Jun; Wei, Zhang-Wen; Zhu, Kelong; Li, Guangqin; Su, Cheng-Yong","Stepwise Engineering Pore Environment and Enhancing CO2/R22 Adsorption Capacity through Dynamic Spacer Installation and Functionality Modification","Chem. Commun.","2017","","","","","10.1039/C7CC06352K","","","1.54184","CuKα","","0.0674","0.0581","","","0.1892","0.2037","","","","","","1.133","","","","has coordinates,has disorder","201000","2020-10-21","18:00:00",""
"7120670","23.0842","0.0001","23.0842","0.0001","18.7738","0.0002","90","","90","","90","","10004.2","0.12","173","2","173","2","","","","","","","","5","P 42/m m c","-P 4c 2","131","LIFM-90","","","- C101 H73 N3 O32 Zr6 -","- C101 H73 N3 O32 Zr6 -","- C202 H146 N6 O64 Zr12 -","2","0.125","","Chen, Cheng-Xia; Qiu, Qian-feng; Cao, Chen-Chen; Pan, Mei; Wang, Hai-Ping; Jiang, Ji-Jun; Wei, Zhang-Wen; Zhu, Kelong; Li, Guangqin; Su, Cheng-Yong","Stepwise Engineering Pore Environment and Enhancing CO2/R22 Adsorption Capacity through Dynamic Spacer Installation and Functionality Modification","Chem. Commun.","2017","","","","","10.1039/C7CC06352K","","","1.54184","CuKα","","0.0644","0.0603","","","0.1943","0.1996","","","","","","1.063","","","","has coordinates,has disorder","201000","2020-10-21","18:00:00",""
"7120671","8.0109","0.0002","12.2867","0.0003","12.9925","0.0004","117.379","0.001","91.142","0.002","91.733","0.002","1134.23","0.05","293","2","293","2","","","","","","","","4","P -1","-P 1","2","","","","- C27 H22 N4 O3 -","- C27 H22 N4 O3 -","- C54 H44 N8 O6 -","2","1","","Maiti, Debabrata; Srinivasan., R.; Dey, Aniruddha; Nagarajan, N. S; Kumaran, Rajendran; GANDHI, THIRUMANAVELAN","Pd-catalyzed C-H arylation of Pyridazine-based Fused 1, 2, 4-Triazoles: Overriding Selectivity at the Usual Position by Undermining of Preferred Chelate Formation","Chem. Commun.","2017","","","","","10.1039/C7CC06226E","","","0.71073","MoKα","","0.0485","0.0367","","","0.0881","0.0962","","","","","","1.055","","","","has coordinates","201001","2020-10-21","18:00:00",""
"7120672","8.6739","0.0004","13.1233","0.0006","21.5232","0.0008","90","","94.249","0.004","90","","2443.26","0.18","293","2","293","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C40 H28 N16 O18 S2 Zn2 -","- C40 H28 N16 O18 S2 Zn2 -","- C80 H56 N32 O36 S4 Zn4 -","2","0.5","","Xia, Mengfan; Zhuo, Caixia; Ma, Xuejuan; Zhang, Xiaohong; Sun, Huaming; Zhai, Quan-Guo; Zhang, Yaodong","Assembly of the active center of organophosphorus hydrolase in metal‒organic frameworks via rational combination of functional ligands","Chem. Commun.","2017","","","","","10.1039/C7CC06270B","","","0.71073","MoKα","","0.0873","0.0625","","","0.1591","0.1764","","","","","","1.064","","","","has coordinates","201002","2020-10-21","18:00:00",""
"7120673","25.469","0.003","12.0512","0.001","21.523","0.0017","90","","116.159","0.003","90","","5929.5","1","123","4","123","4","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C27 H33 N7 O8 Zn -","- C27 H33 N7 O8 Zn -","- C216 H264 N56 O64 Zn8 -","8","1","","Xia, Mengfan; Zhuo, Caixia; Ma, Xuejuan; Zhang, Xiaohong; Sun, Huaming; Zhai, Quan-Guo; Zhang, Yaodong","Assembly of the active center of organophosphorus hydrolase in metal‒organic frameworks via rational combination of functional ligands","Chem. Commun.","2017","","","","","10.1039/C7CC06270B","","","1.54178","CuKα","","0.0944","0.0664","","","0.1769","0.1988","","","","","","1.047","","","","has coordinates,has disorder","201002","2020-10-21","18:00:00",""
"7120674","10.4606","0.0004","12.8372","0.0004","11.2997","0.0004","90","","106.445","0.002","90","","1455.31","0.09","296","2","296.15","","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C16 H13 Cl N2 O3 -","- C16 H13 Cl N2 O3 -","- C64 H52 Cl4 N8 O12 -","4","1","","Bose, Anima; Mal, Prasenjit","Weak Interactions Controlled C-H Mono-Nitration of Indolines","Chem. Commun.","2017","","","","","10.1039/C7CC06267B","","","0.71073","MoKα","","0.0756","0.0493","","","0.1347","0.152","","","","","","1.015","","","","has coordinates","201003","2020-10-21","18:00:00",""
"7120675","8.1122","0.0004","7.8149","0.0003","10.1296","0.0004","90","","102.368","0.002","90","","627.27","0.05","296","2","296.15","","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C15 H12 N2 O3 -","- C15 H12 N2 O3 -","- C30 H24 N4 O6 -","2","1","","Bose, Anima; Mal, Prasenjit","Weak Interactions Controlled C-H Mono-Nitration of Indolines","Chem. Commun.","2017","","","","","10.1039/C7CC06267B","","","0.71073","MoKα","","0.0537","0.0416","","","0.0929","0.0999","","","","","","1.034","","","","has coordinates","201003","2020-10-21","18:00:00",""
"7120676","10.3022","0.0007","10.3972","0.0007","11.6686","0.0006","65.882","0.006","79.944","0.005","81.015","0.006","1118.22","0.13","153","2","153","2","","","","","","","","5","P -1","-P 1","2","","","","- C25 H25 N3 O2 S -","- C25 H25 N3 O2 S -","- C50 H50 N6 O4 S2 -","2","1","","Gu, Zheng-Yang; Li, Jing-Hao; Wang, Shun-Yi; Ji, Shun-Jun","Cobalt(II)-Catalyzed Bis-isocyanides Insertion Reactions with Sulfonyl Azides via Nitrene Radical: Chemoselective Synthesis of The Sulfonylamidyl amide and 3-Imine Indole Derivatives","Chem. Commun.","2017","","","","","10.1039/C7CC06531K","","","0.71073","MoKα","","0.1071","0.0603","","","0.1406","0.1713","","","","","","1.028","","","","has coordinates","201054","2020-10-21","18:00:00",""
"7120677","11.655","0.0006","11.2975","0.0007","29.9934","0.0014","90","","92.006","0.005","90","","3946.9","0.4","284.94","0.1","284.94","0.1","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C17 H27 N3 O3 S -","- C17 H27 N3 O3 S -","- C136 H216 N24 O24 S8 -","8","2","","Gu, Zheng-Yang; Li, Jing-Hao; Wang, Shun-Yi; Ji, Shun-Jun","Cobalt(II)-Catalyzed Bis-isocyanides Insertion Reactions with Sulfonyl Azides via Nitrene Radical: Chemoselective Synthesis of The Sulfonylamidyl amide and 3-Imine Indole Derivatives","Chem. Commun.","2017","","","","","10.1039/C7CC06531K","","","1.54184","CuKα","","0.1078","0.0672","","","0.1558","0.2029","","","","","","1.013","","","","has coordinates","201054","2020-10-21","18:00:00",""
"7120678","8.088","0.008","14.815","0.013","19.177","0.018","94.34","0.02","96.56","0.02","105.53","0.03","2186","4","296","2","296","2","","","","","","","","5","P -1","-P 1","2","","","","- C24 H27 N3 O2 S -","- C24 H27 N3 O2 S -","- C96 H108 N12 O8 S4 -","4","2","","Gu, Zheng-Yang; Li, Jing-Hao; Wang, Shun-Yi; Ji, Shun-Jun","Cobalt(II)-Catalyzed Bis-isocyanides Insertion Reactions with Sulfonyl Azides via Nitrene Radical: Chemoselective Synthesis of The Sulfonylamidyl amide and 3-Imine Indole Derivatives","Chem. Commun.","2017","","","","","10.1039/C7CC06531K","","","0.71073","MoKα","","0.1011","0.08","","","0.2197","0.2416","","","","","","1.04","","","","has coordinates","201054","2020-10-21","18:00:00",""
"7120679","9.1286","0.0018","9.271","0.003","9.583","0.004","89.47","0.02","78.65","0.02","63.696","0.013","710","0.4","293","2","293","2","","","","","","","see text","6","P -1","-P 1","2","","","","- C16 H10 F N O S -","- C16 H10 F N O S -","- C32 H20 F2 N2 O2 S2 -","2","1","","Dwivedi, Vikas; Manda, Rajesh; Kumar, Ravi; Kant, Ruchir; Maddi, Sridhar Reddy","A Stereoselective Thiocyanate Conjugate Addition to Electron Deficient Alkynes and Concomitant Cyclization to N, S-Heterocycles","Chem. Commun.","2017","","","","","10.1039/C7CC06081E","","","0.71075","MoKα","","0.0595","0.0415","","","0.1042","0.1111","","","","","","0.995","","","","has coordinates","211179","2020-10-21","18:00:00",""
"7120680","14.435","0.004","7.4188","0.0017","14.492","0.004","90","","106.001","0.005","90","","1491.8","0.7","293","2","293","2","","","","","","","see text","5","P 1 21/c 1","-P 2ybc","14","","","","- C17 H13 N O S2 -","- C17 H13 N O S2 -","- C68 H52 N4 O4 S8 -","4","1","","Dwivedi, Vikas; Manda, Rajesh; Kumar, Ravi; Kant, Ruchir; Maddi, Sridhar Reddy","A Stereoselective Thiocyanate Conjugate Addition to Electron Deficient Alkynes and Concomitant Cyclization to N, S-Heterocycles","Chem. Commun.","2017","","","","","10.1039/C7CC06081E","","","0.71075","MoKα","","0.0458","0.0367","","","0.0979","0.1018","","","","","","1.065","","","","has coordinates","211179","2020-10-21","18:00:00",""
"7120681","8.327","0.002","10.489","0.003","22.225","0.005","90","","98.546","0.003","90","","1919.6","0.8","100","2","100","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","1_apohost","","","- C34 H40 Cl4 Cu2 N8 -","- C34 H40 Cl4 Cu2 N8 -","- C68 H80 Cl8 Cu4 N16 -","2","0.5","","Nikolayenko, Varvara I.; Heyns, Anneli; Barbour, Len","Threading the needle: guest transport in a versatile 0D porous molecular crystal","Chem. Commun.","2017","","","","","10.1039/C7CC06676G","","","0.71073","MoKα","","0.0909","0.0475","","","0.0933","0.1054","","","","","","0.928","","","","has coordinates","201152","2020-10-21","18:00:00",""
"7120682","8.424","0.002","10.944","0.003","22.094","0.006","90","","99.735","0.005","90","","2007.6","0.9","100","2","100","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","7","","","- C40 H44 Cl4 Cu2 F2 N8 -","- C40 H44 Cl4 Cu2 F2 N8 -","- C80 H88 Cl8 Cu4 F4 N16 -","2","0.5","","Nikolayenko, Varvara I.; Heyns, Anneli; Barbour, Len","Threading the needle: guest transport in a versatile 0D porous molecular crystal","Chem. Commun.","2017","","","","","10.1039/C7CC06676G","","","0.71073","MoKα","","0.1052","0.0676","","","0.1493","0.1714","","","","","","1.046","","","","has coordinates","201152","2020-10-21","18:00:00",""
"7120683","8.4261","0.001","10.7068","0.0013","21.974","0.003","90","","99.441","0.002","90","","1955.6","0.4","100","2","100","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","1","","","- C36 H46 Cl4 Cu2 N8 O2 -","- C36 H46 Cl4 Cu2 N8 O2 -","- C72 H92 Cl8 Cu4 N16 O4 -","2","0.5","","Nikolayenko, Varvara I.; Heyns, Anneli; Barbour, Len","Threading the needle: guest transport in a versatile 0D porous molecular crystal","Chem. Commun.","2017","","","","","10.1039/C7CC06676G","","","0.71073","MoKα","","0.0749","0.0542","","","0.1602","0.1862","","","","","","1.025","","","","has coordinates,has disorder","201152","2020-10-21","18:00:00",""
"7120684","8.3483","0.0011","10.5979","0.0014","22.2","0.003","90","","98.7","0.002","90","","1941.5","0.4","100","2","100","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","5","","","- C35 H40 Cl4 Cu2 N8 S2 -","- C35 H40 Cl4 Cu2 N8 S2 -","- C70 H80 Cl8 Cu4 N16 S4 -","2","0.5","","Nikolayenko, Varvara I.; Heyns, Anneli; Barbour, Len","Threading the needle: guest transport in a versatile 0D porous molecular crystal","Chem. Commun.","2017","","","","","10.1039/C7CC06676G","","","0.71073","MoKα","","0.0436","0.0325","","","0.0726","0.078","","","","","","1.044","","","","has coordinates,has disorder","201152","2020-10-21","18:00:00",""
"7120685","8.386","0.003","10.778","0.004","22.282","0.008","90","","99.205","0.004","90","","1988","1.2","100","2","100","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","3","","","- C37.06 H46.12 Cl4 Cu2 N8 O1.02 -","- C37.06 H46.12 Cl4 Cu2 N8 O1.02 -","- C74.12 H92.24 Cl8 Cu4 N16 O2.04 -","2","0.5","","Nikolayenko, Varvara I.; Heyns, Anneli; Barbour, Len","Threading the needle: guest transport in a versatile 0D porous molecular crystal","Chem. Commun.","2017","","","","","10.1039/C7CC06676G","","","0.71073","MoKα","","0.1471","0.0634","","","0.1439","0.1793","","","","","","1.023","","","","has coordinates,has disorder","201152","2020-10-21","18:00:00",""
"7120686","8.325","0.005","10.568","0.006","22.158","0.012","90","","98.506","0.007","90","","1928","1.9","100","2","100","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","4","","","- C36 H43 Cl4 Cu2 N9 -","- C36 H43 Cl4 Cu2 N9 -","- C72 H86 Cl8 Cu4 N18 -","2","0.5","","Nikolayenko, Varvara I.; Heyns, Anneli; Barbour, Len","Threading the needle: guest transport in a versatile 0D porous molecular crystal","Chem. Commun.","2017","","","","","10.1039/C7CC06676G","","","0.71073","MoKα","","0.0767","0.0449","","","0.0952","0.1072","","","","","","1.011","","","","has coordinates,has disorder","201152","2020-10-21","18:00:00",""
"7120687","8.3498","0.0011","10.6457","0.0014","22.378","0.003","90","","99.387","0.002","90","","1962.5","0.5","100","2","100","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","6","","","- C35 H42 Cl6 Cu2 N8 -","- C35 H42 Cl6 Cu2 N8 -","- C70 H84 Cl12 Cu4 N16 -","2","0.5","","Nikolayenko, Varvara I.; Heyns, Anneli; Barbour, Len","Threading the needle: guest transport in a versatile 0D porous molecular crystal","Chem. Commun.","2017","","","","","10.1039/C7CC06676G","","","0.71073","MoKα","","0.0638","0.0414","","","0.0984","0.1118","","","","","","1.024","","","","has coordinates,has disorder","201152","2020-10-21","18:00:00",""
"7120688","8.2969","0.0015","10.771","0.002","22.52","0.004","90","","99.655","0.002","90","","1984","0.6","100","2","100","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","10","","","- C39 H44 Cl4 Cu2 N8 -","- C39 H44 Cl4 Cu2 N8 -","- C78 H88 Cl8 Cu4 N16 -","2","0.5","","Nikolayenko, Varvara I.; Heyns, Anneli; Barbour, Len","Threading the needle: guest transport in a versatile 0D porous molecular crystal","Chem. Commun.","2017","","","","","10.1039/C7CC06676G","","","0.71073","MoKα","","0.0911","0.0562","","","0.1262","0.1416","","","","","","1.045","","","","has coordinates,has disorder","201152","2020-10-21","18:00:00",""
"7120689","16.671","0.002","10.7795","0.0015","22.437","0.003","90","","99.497","0.002","90","","3976.8","0.9","100","2","100","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","9","","- C35 H41 Cl7 Cu2 N8 -","- C35 H41 Cl7 Cu2 N8 -","- C140 H164 Cl28 Cu8 N32 -","4","1","","Nikolayenko, Varvara I.; Heyns, Anneli; Barbour, Len","Threading the needle: guest transport in a versatile 0D porous molecular crystal","Chem. Commun.","2017","","","","","10.1039/C7CC06676G","","","0.71073","MoKα","","0.0842","0.0471","","","0.1135","0.1324","","","","","","1.019","","","","has coordinates","201152","2020-10-21","18:00:00",""
"7120690","8.333","0.004","10.394","0.005","22.167","0.01","90","","98.264","0.007","90","","1900","1.6","100","2","100","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","2","","","- C34 H40 Cl4 Cu2 N8 O1.36 -","- C34 H40 Cl4 Cu2 N8 O1.36 -","- C68 H80 Cl8 Cu4 N16 O2.72 -","2","0.5","","Nikolayenko, Varvara I.; Heyns, Anneli; Barbour, Len","Threading the needle: guest transport in a versatile 0D porous molecular crystal","Chem. Commun.","2017","","","","","10.1039/C7CC06676G","","","0.71073","MoKα","","0.0698","0.0443","","","0.0848","0.0948","","","","","","1.016","","","","has coordinates,has disorder","201152","2020-10-21","18:00:00",""
"7120691","8.368","0.004","10.906","0.005","22.082","0.011","90","","99.017","0.007","90","","1990.3","1.6","100","2","100","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","8","","","- C39.95 H45.95 Cl4 Cu2 N8 -","- C39.946 H45.946 Cl4 Cu2 N8 -","- C79.892 H91.892 Cl8 Cu4 N16 -","2","0.5","","Nikolayenko, Varvara I.; Heyns, Anneli; Barbour, Len","Threading the needle: guest transport in a versatile 0D porous molecular crystal","Chem. Commun.","2017","","","","","10.1039/C7CC06676G","","","0.71073","MoKα","","0.066","0.0456","","","0.1052","0.1142","","","","","","1.073","","","","has coordinates,has disorder","201152","2020-10-21","18:00:00",""
"7120692","8.383","0.002","10.868","0.003","22.633","0.006","90","","79.007","0.003","90","","2024.2","0.9","100","2","100","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","11","","","- C40 H44 Cl6 Cu2 N8 -","- C40 H44 Cl6 Cu2 N8 -","- C80 H88 Cl12 Cu4 N16 -","2","0.5","","Nikolayenko, Varvara I.; Heyns, Anneli; Barbour, Len","Threading the needle: guest transport in a versatile 0D porous molecular crystal","Chem. Commun.","2017","","","","","10.1039/C7CC06676G","","","0.71073","MoKα","","0.0748","0.055","","","0.1124","0.1198","","","","","","1.097","","","","has coordinates","201152","2020-10-21","18:00:00",""
"7120693","9.6917","0.001","7.5033","0.0007","27.151","0.002","90","","93.018","0.008","90","","1971.7","0.3","293","2","293.15","","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","(5-chloro-1-picolinoyl-1H-indol-3-yl)(phenyl)methyl acetate","","- C23 H17 Cl N2 O3 -","- C23 H17 Cl N2 O3 -","- C92 H68 Cl4 N8 O12 -","4","1","","Karnakanti, Shuklachary; Zang, Zhong-Lin; Zhao, Sheng; Shao, Pan-Lin; Hu, Ping; He, Yun","Palladium-Catalyzed Oxidative Arylacetoxylation of Alkenes: Synthesis of Indole and Indoline Derivatives","Chem. Commun.","2017","","","","","10.1039/C7CC06448A","","x-ray","0.71073","MoKα","","0.0949","0.0575","","","0.1291","0.1509","","","","","","1.027","","","","has coordinates","201153","2020-10-21","18:00:00",""
"7120694","8.3765","0.0005","11.219","0.0006","12.1776","0.0007","70.266","0.005","73.173","0.005","82.063","0.004","1030.04","0.11","295","2","295","2","","","","","","","","4","P -1","-P 1","2","","(3-benzoyl-5-isopropyl-3-methylindolin-1-yl)(pyridin-2-yl)methanone","","- C25 H24 N2 O2 -","- C25 H24 N2 O2 -","- C50 H48 N4 O4 -","2","1","","Karnakanti, Shuklachary; Zang, Zhong-Lin; Zhao, Sheng; Shao, Pan-Lin; Hu, Ping; He, Yun","Palladium-Catalyzed Oxidative Arylacetoxylation of Alkenes: Synthesis of Indole and Indoline Derivatives","Chem. Commun.","2017","","","","","10.1039/C7CC06448A","","","0.71073","MoKα","","0.0782","0.0578","","","0.1476","0.1648","","","","","","1.045","","","","has coordinates","201153","2020-10-21","18:00:00",""
"7120695","14.0409","0.0016","15.132","0.002","19.481","0.002","111.079","0.008","92.542","0.006","114.545","0.005","3420.3","0.8","120","2","120","2","","","","","","","","4","P -1","-P 1","2","tetra-3,6-phenanthrylene-octacarboxylate","","","- C82 H69 Cl3 O17 -","- C82 H69 Cl3 O17 -","- C164 H138 Cl6 O34 -","2","1","","Robert, Antoine; Dechambenoit, Pierre; Hillard, Elizabeth A.; Bock, Harald; Durola, Fabien","Non-Planar Oligoarylene Macrocycles from Biphenyl","Chem. Commun.","2017","","","","","10.1039/C7CC06798D","","","0.71073","MoKα","","0.1424","0.1237","","","0.3599","0.3713","","","","","","1.152","","","","has coordinates","201154","2020-10-21","18:00:00",""
"7120696","13.6192","0.0012","13.9816","0.0012","19.4394","0.0016","84.693","0.004","87.138","0.004","66.145","0.004","3370.6","0.5","120","2","120","2","","","","","","","","4","P -1","-P 1","2","","","","- C70 H66 Cl6 O16 -","- C70 H66 Cl6 O16 -","- C140 H132 Cl12 O32 -","2","1","","Robert, Antoine; Dechambenoit, Pierre; Hillard, Elizabeth A.; Bock, Harald; Durola, Fabien","Non-Planar Oligoarylene Macrocycles from Biphenyl","Chem. Commun.","2017","","","","","10.1039/C7CC06798D","","","0.71073","MoKα","","0.0874","0.0571","","","0.1346","0.1523","","","","","","1.073","","","","has coordinates","201154","2020-10-21","18:00:00",""
"7120697","19.3857","0.0009","34.8893","0.0017","29.1718","0.0014","90","","101.784","0.002","90","","19314.6","1.6","120","2","120","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","propellicene-octacarboxylate","","","- C205.65 H169.65 Cl4.95 O48 -","- C205.65 H169.65 Cl4.95 O48 -","- C822.6 H678.6 Cl19.8 O192 -","4","1","","Robert, Antoine; Dechambenoit, Pierre; Hillard, Elizabeth A.; Bock, Harald; Durola, Fabien","Non-Planar Oligoarylene Macrocycles from Biphenyl","Chem. Commun.","2017","","","","","10.1039/C7CC06798D","","","0.71073","MoKα","","0.2395","0.1416","","","0.3721","0.4291","","","","","","1.43","","","","has coordinates,has disorder","201154","2020-10-21","18:00:00",""
"7120698","8.916","0.003","9.462","0.003","12.49","0.004","71.6","0.02","82.91","0.02","73.48","0.02","957.9","0.6","296","2","296","2","","","","","","","","4","P -1","-P 1","2","TJ-998","","","- C19 H25 N3 O4 -","- C19 H25 N3 O4 -","- C38 H50 N6 O8 -","2","1","","Jeong, Taejoo; Mishra, Neeraj Kumar; Dey, Prasanta; Oh, Hyunjung; Han, Sangil; Lee, Suk Hun; Kim, Hyung Sik; Park, Jihye; Kim, In Su","C(sp3)‒H amination of 8-methylquinolines with azodicarboxylates under Rh(III) catalysis: cytotoxic evaluation of quinolin-8-ylmethanamines","Chem. Commun.","2017","","","","","10.1039/C7CC06670H","","","0.71073","","","0.2111","0.0818","","","0.1634","0.2215","","","","","","0.953","","","","has coordinates","201155","2020-10-21","18:00:00",""
"7120699","9.5595","0.0009","9.7636","0.0009","10.1483","0.001","84.753","0.001","79.207","0.001","72.889","0.001","888.59","0.15","100","2","100","2","","","","","","","","4","P -1","-P 1","2","","","","- C24 H19 N O3 -","- C24 H19 N O3 -","- C48 H38 N2 O6 -","2","1","","Zhu, Yan-Shuo; Zhou, Jing; Jin, Shao-Jing; Dong, Hua-Hui; Guo, Jiao-Mei; Bai, Xu-Guan; Wang, Qi-Lin; Bu, Zhanwei","Metal-Free Diastereoselective Construction of Bridged Ketal Spirooxindoles via Michael Addition-Inspired Sequence","Chem. Commun.","2017","","","","","10.1039/C7CC05813F","","","0.71073","MoKα","","0.042","0.0387","","","0.1042","0.1066","","","","","","1.059","","","","has coordinates","201156","2020-10-21","18:00:00",""
"7120700","3.3873","0.0002","9.4079","0.0009","3.7587","0.0002","90","","90","","90","","119.78","0.015","295","","295","","36760000","","","","","","","2","C m c m","-C 2c 2","63","","","NiBi","- Bi Ni -","- Bi Ni -","- Bi4 Ni4 -","4","0.25","","Powderly, Kelly M.; Clarke, Samantha M.; Amsler, Maximilian; Wolverton, Chris M.; Malliakas, Christos D.; Meng, Yue; Jacobsen, Steven D.; Freedman, Danna","High-pressure discovery of β-NiBi","Chem. Commun.","2017","","","","","10.1039/C7CC06471C","powder diffraction","","0.406626","","","2.98","","","","","","","","1.04","","","","","","","has coordinates","201190","2020-10-21","18:00:00",""
"7120701","25.6523","0.0009","12.2403","0.0005","13.5209","0.0005","90","","90","","90","","4245.5","0.3","150","2","150","2","","","","","","","","4","P c c n","-P 2ab 2ac","56","","","","- C52 H42 I2 P2 -","- C52 H42 I2 P2 -","- C208 H168 I8 P8 -","4","0.5","","Belyaev, Andrey; Chen, Yi-Ting; Su, Shih-Hao; Tseng, Yu-Jui; Karttunen, Antti J.; Tunik, Sergey P.; Chou, Pi-Tai; Koshevoy, Igor O.","Copper-mediated phospha-annulation to attain water-soluble polycyclic luminophores","Chem. Commun.","2017","","","","","10.1039/C7CC06882D","","","0.71073","MoKα","","0.0463","0.034","","","0.0734","0.0772","","","","","","1.112","","","","has coordinates","201191","2020-10-21","18:00:00",""
"7120702","12.842","0.003","14.68","0.003","18.01","0.005","107.93","0.02","91.12","0.019","105.831","0.016","3087.9","1.4","120","","120","","","","","","","","","4","P -1","-P 1","2","","","","- C53 H89 N8 O29 -","- C53 H89 N8 O29 -","- C106 H178 N16 O58 -","2","1","","Ramana Reddy, Mittapalli; Namashivaya, Siva Senkar R.; Oshchepkov, Aleksandr S.; Shumilova, Tatiana A.; Rueffer, Tobias; Lang, Heinrich; Kataev, Evgeny","Selective recognition of oxalate in water: effect of pH on binding strength and sensing mechanisms","Chem. Commun.","2017","","","","","10.1039/C7CC06955C","","","1.54184","CuKα","","0.157","0.0979","","","0.2576","0.2979","","","","","","0.926","","","","has coordinates","201192","2020-10-21","18:00:00",""
"7120703","14.9081","0.0006","16.3138","0.0007","24.689","0.001","81.862","0.002","87.078","0.002","63.232","0.002","5306.6","0.4","180","2","180","","","","","","","","","5","P -1","-P 1","2","","","","- C72 H216 Au3 Si32 Sn18 -","- C72 H216 Au3 Si32 Sn18 -","- C72 H216 Au3 Si32 Sn18 -","1","0.5","","Binder, Mareike; Schrenk, Claudio; Poettgen, Rainer; Block, Theresa; Schnepf, Andreas","[Hyp-Au-Sn9(Hyp)3-Au-Sn9(Hyp)3-Au-Hyp]-: The longest intermetalloid chain compound of tin TBC - Phil Power's 65th birthday","Chem. Commun.","2017","","","","","10.1039/C7CC07029B","","x-ray","0.71073","MoKα","","0.1268","0.0708","","","0.1898","0.2171","","","","","","1.042","","","","has coordinates,has disorder","201286","2020-10-21","18:00:00",""
"7120704","16.4696","0.0006","13.4724","0.0003","22.5458","0.0006","90","","104.209","0.002","90","","4849.5","0.2","100","2","100","","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C39 H60 Dy N3 O18 P3 -","- C39 H60 Dy N3 O18 P3 -","- C156 H240 Dy4 N12 O72 P12 -","4","1","","Krekić, Kristijan; Klintuch, Dieter; Pietschnig, Rudolf","Facile access to efficiently luminescent Ln3+ phosphonic ester coordination polymers (Ln = Eu, Tb, Dy)","Chem. Commun.","2017","","","","","10.1039/C7CC06621J","","x-ray","0.71073","MoKα","","0.0695","0.0588","","","0.1503","0.1569","","","","","","1.053","","","","has coordinates","201324","2020-10-21","18:00:00",""
"7120705","16.5126","0.0005","13.491","0.0004","22.5623","0.0007","90","","104.149","0.002","90","","4873.8","0.3","100","2","100","","","","","","","","","8","P 1 21/n 1","-P 2yn","14","","","","- C39 H60 Eu0.16 N3 O18 P3 Tb0.7 Y0.14 -","- C39 H60 Eu0.161 N3 O18 P3 Tb0.704 Y0.135 -","- C156 H240 Eu0.644 N12 O72 P12 Tb2.816 Y0.54 -","4","1","","Krekić, Kristijan; Klintuch, Dieter; Pietschnig, Rudolf","Facile access to efficiently luminescent Ln3+ phosphonic ester coordination polymers (Ln = Eu, Tb, Dy)","Chem. Commun.","2017","","","","","10.1039/C7CC06621J","","x-ray","0.71073","MoKα","","0.212","0.1848","","","0.5408","0.556","","","","","","2.569","","","","has coordinates,has disorder","201324","2020-10-21","18:00:00",""
"7120706","21.8266","0.0018","5.8487","0.0003","23.1849","0.0018","90","","109.753","0.006","90","","2785.6","0.4","100","2","100","","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C26 H40 O6 P2 -","- C26 H40 O6 P2 -","- C104 H160 O24 P8 -","4","1","","Krekić, Kristijan; Klintuch, Dieter; Pietschnig, Rudolf","Facile access to efficiently luminescent Ln3+ phosphonic ester coordination polymers (Ln = Eu, Tb, Dy)","Chem. Commun.","2017","","","","","10.1039/C7CC06621J","","","0.71073","MoKα","","0.1863","0.1503","","","0.4056","0.4536","","","","","","1.704","","","","has coordinates","201324","2020-10-21","18:00:00",""
"7120707","16.2689","0.0006","13.2684","0.0007","22.3097","0.0009","90","","103.599","0.003","90","","4680.8","0.4","100","2","100","","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C39 H60 Eu N3 O18 P3 -","- C39 H60 Eu N3 O18 P3 -","- C156 H240 Eu4 N12 O72 P12 -","4","1","","Krekić, Kristijan; Klintuch, Dieter; Pietschnig, Rudolf","Facile access to efficiently luminescent Ln3+ phosphonic ester coordination polymers (Ln = Eu, Tb, Dy)","Chem. Commun.","2017","","","","","10.1039/C7CC06621J","","","0.71073","MoKα","","0.0802","0.059","","","0.1604","0.194","","","","","","1.058","","","","has coordinates","201324","2020-10-21","18:00:00",""
"7120708","16.4785","0.0006","13.3577","0.0003","22.511","0.0006","90","","103.528","0.002","90","","4817.5","0.2","100","2","100","","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C39 H60 N3 O18 P3 Y -","- C39 H60 N3 O18 P3 Y -","- C156 H240 N12 O72 P12 Y4 -","4","1","","Krekić, Kristijan; Klintuch, Dieter; Pietschnig, Rudolf","Facile access to efficiently luminescent Ln3+ phosphonic ester coordination polymers (Ln = Eu, Tb, Dy)","Chem. Commun.","2017","","","","","10.1039/C7CC06621J","","","0.71073","MoKα","","0.0603","0.0498","","","0.1251","0.134","","","","","","1.03","","","","has coordinates","201324","2020-10-21","18:00:00",""
"7120709","16.4639","0.0006","13.4794","0.0003","22.5915","0.0008","90","","104.281","0.003","90","","4858.7","0.3","100","2","100","","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C39 H60 N3 O18 P3 Tb -","- C39 H60 N3 O18 P3 Tb -","- C156 H240 N12 O72 P12 Tb4 -","4","1","","Krekić, Kristijan; Klintuch, Dieter; Pietschnig, Rudolf","Facile access to efficiently luminescent Ln3+ phosphonic ester coordination polymers (Ln = Eu, Tb, Dy)","Chem. Commun.","2017","","","","","10.1039/C7CC06621J","","","0.71073","MoKα","","0.0935","0.0601","","","0.1457","0.1635","","","","","","1.03","","","","has coordinates","201324","2020-10-21","18:00:00",""
"7120710","8.3541","0.0004","12.2825","0.0006","16.8758","0.0006","80.311","0.004","85.323","0.003","78.583","0.004","1671.05","0.13","100","2","100","2","","","","","","","","7","P -1","-P 1","2","","","","- C29 H44 F6 Fe N6 O2 P -","- C29 H44 F6 Fe N6 O2 P -","- C58 H88 F12 Fe2 N12 O4 P2 -","2","1","","Delgado, Mayra; Gilbertson, John D.","Ligand-Based Reduction of Nitrate to Nitric Oxide Utilizing a Proton-Responsive Secondary Coordination Sphere.","Chem. Commun.","2017","","","","","10.1039/C7CC06541H","","x-ray","0.71073","MoKα","","0.032","0.0266","","","0.0697","0.0718","","","","","","1.064","","","","has coordinates","201325","2020-10-21","18:00:00",""
"7120711","5.8515","0.0004","11.0768","0.0008","12.6463","0.0009","90","","99.386","0.005","90","","808.71","0.1","123","","123","","","","","","","","","2","P 1 21/n 1","-P 2yn","14","","","","- C22 H30 -","- C22 H30 -","- C44 H60 -","2","0.5","","Delarue Bizzini, Lorenzo; Müntener, Thomas; Häussinger, Daniel; Neuburger, Markus; Mayor, Marcel","Synthesis of Trinorbornane","Chem. Commun.","2017","","","","","10.1039/C7CC06273G","","","1.34143","GaKα","","0.0851","0.0836","","0.0997","0.0982","0.0976","","","","","","1.074","","","","has coordinates","201326","2020-10-21","18:00:00",""
"7120712","8.291","0.002","6.1867","0.0015","11.241","0.003","90","","106.88","0.004","90","","551.8","0.2","100","2","100","2","","","","","","","","3","P 1 21 1","P 2yb","4","11-isocyano-9,10-dihydro-9,10-epiminoanthracene","N-isocyano-dibenzo-7-azanorbornadiene","","- C15 H10 N2 -","- C15 H10 N2 -","- C30 H20 N4 -","2","1","","Joost, Maximilian; Nava, Matthew Jordan; Transue, Wesley J.; Cummins, Christopher","An exploding N-isocyanide reagent formally composed of anthracene, dinitrogen, and a carbon atom","Chem. Commun.","2017","","","","","10.1039/C7CC06516G","","","0.71073","MoKα","","0.0575","0.0453","","","0.1042","0.1112","","","","","","0.996","","","","has coordinates","201327","2020-10-21","18:00:00",""
"7120713","25.9247","0.0008","13.1773","0.0004","19.0154","0.0006","90","","124.261","0.001","90","","5368.8","0.3","100","2","100","2","","","","","","","","7","C 1 c 1","C -2yc","9","","","","- C53 H77 Cl5 N2 O P2 Ru -","- C53 H77 Cl5 N2 O P2 Ru -","- C212 H308 Cl20 N8 O4 P8 Ru4 -","4","1","","Joost, Maximilian; Nava, Matthew Jordan; Transue, Wesley J.; Cummins, Christopher","An exploding N-isocyanide reagent formally composed of anthracene, dinitrogen, and a carbon atom","Chem. Commun.","2017","","","","","10.1039/C7CC06516G","","","0.71073","MoKα","","0.0272","0.0253","","","0.0568","0.0578","","","","","","1.019","","","","has coordinates,has disorder","201327","2020-10-21","18:00:00",""
"7120714","14.4683","0.0005","25.8841","0.0008","7.7287","0.0002","90","","103.616","0.002","90","","2813.04","0.15","223","2","223","2","","","","","","","","8","P 1 21/c 1","-P 2ybc","14","CMB156-7","","","- C21 H24 Cl F3 N8 O4 Ru S -","- C21 H24 Cl F3 N8 O4 Ru S -","- C84 H96 Cl4 F12 N32 O16 Ru4 S4 -","4","1","","Boudreaux, Chance M.; Liyanage, Nalaka P.; Shirley, Hunter; Siek, Sopheavy; Gerlach, Deidra L.; Qu, Fengrui; Delcamp, Jared H.; Papish, Elizabeth T.","Ruthenium(ii) complexes of pyridinol and N-heterocyclic carbene derived pincers as robust catalysts for selective carbon dioxide reduction","Chem. Commun.","2017","","","","","10.1039/C7CC05706G","","","0.71073","MoKα","","0.0354","0.0277","","","0.0671","0.0713","","","","","","1.036","","","","has coordinates","201486","2020-10-21","18:00:00",""
"7120715","7.9326","0.0014","9.4243","0.0017","20.804","0.004","97.577","0.002","91.192","0.002","93.256","0.002","1538.6","0.5","223","2","223","2","","","","","","","","7","P -1","-P 1","2","CMB03","","","- C22 H24 F6 N8 O7 Ru S2 -","- C21.999 H24 F5.997 N8 O6.997 Ru S1.999 -","- C43.998 H48 F11.994 N16 O13.994 Ru2 S3.998 -","2","1","","Boudreaux, Chance M.; Liyanage, Nalaka P.; Shirley, Hunter; Siek, Sopheavy; Gerlach, Deidra L.; Qu, Fengrui; Delcamp, Jared H.; Papish, Elizabeth T.","Ruthenium(ii) complexes of pyridinol and N-heterocyclic carbene derived pincers as robust catalysts for selective carbon dioxide reduction","Chem. Commun.","2017","","","","","10.1039/C7CC05706G","","","0.71073","MoKα","","0.0492","0.041","","","0.1099","0.1163","","","","","","1.095","","","","has coordinates,has disorder","201486","2020-10-21","18:00:00",""
"7120716","9.933","0.002","11.292","0.003","13.383","0.003","98.74","0.006","99.894","0.007","106.303","0.004","1387.1","0.6","293","2","293","2","","","","","","","","4","P -1","-P 1","2","","ZJU-136-Tb","","- C22 H10 O8 Tb -","- C22 H10 O8 Tb -","- C44 H20 O16 Tb2 -","2","1","","Yue, Dan; Zhao, Dian; Zhang, Jun; Zhang, Ling; Jiang, Ke; Zhang, Xin; Cui, Yuanjing; Yang, Yu; Chen, Banglin; Qian, Guodong","A luminescent cerium metal‒organic framework for the turn-on sensing of ascorbic acid","Chem. Commun.","2017","","","","","10.1039/C7CC05805E","","","0.71073","MoKα","","0.0479","0.0393","","","0.1143","0.1229","","","","","","1.08","","","","has coordinates","201487","2020-10-21","18:00:00",""
"7120717","6.72742","0.00006","18.3659","0.0002","51.8482","0.0005","90","","90","","90","","6406.11","0.11","100","0.1","100","0.1","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","E)-1-(2,4-Dinitrophenyl)-2-(((3S,4R)-3-methyl-4-phenyl-6-(4-(trifluoromethyl)phenyl)-3,4-dihydro-2H-thiopyran-3-yl)methylene)hydrazine","","- C27 H23 F3 N4 O4 S -","- C27 H23 F3 N4 O4 S -","- C216 H184 F24 N32 O32 S8 -","8","2","","Hejmanowska, Joanna; Jasiński, Marcin; Wojciechowski, Jakub; Mlostoń, Grzegorz; Albrecht, Lukasz","The first organocatalytic, ortho-regioselective inverse-electron-demand hetero-Diels-Alder reaction","Chem. Commun.","2017","","","","","10.1039/C7CC06518C","","x-ray","1.54184","CuKα","","0.0384","0.0366","","","0.0973","0.0986","","","","","","1.023","","","","has coordinates","201488","2020-10-21","18:00:00",""
"7120718","9.1393","0.0003","11.0094","0.0003","24.6538","0.0007","90","","90","","90","","2480.62","0.13","296","","296","","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C28 H22 Cl F3 N2 O4 -","- C28 H22 Cl F3 N2 O4 -","- C112 H88 Cl4 F12 N8 O16 -","4","1","","Enders, Dieter; Liu, Qiang; Chen, Xiang-Yu; Li, Sun; Jafari, Ehsan; Raabe, Gerhard","N-Heterocyclic carbene-catalyzed [4+2] annulation of β-methyl enals and cyclic trifluoromethyl ketimines for the asymmetric synthesis of dihydroquinazolinone derivatives","Chem. Commun.","2017","","","","","10.1039/C7CC06562K","","","1.54178","CuKα","","0.042","0.04","","0.042","","0.042","","","0.987","","","1.004","","","","has coordinates","201489","2020-10-21","18:00:00",""
"7120719","8.327","0.002","10.489","0.003","22.225","0.005","90","","98.546","0.003","90","","1919.6","0.8","100","2","100","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","1_apohost","","","- C34 H40 Cl4 Cu2 N8 -","- C34 H40 Cl4 Cu2 N8 -","- C68 H80 Cl8 Cu4 N16 -","2","0.5","","Nikolayenko, Varvara I.; Barbour, Leonard J.; Arauzo, Ana; Campo, Javier; Rawson, Jeremy M.; Haynes, Delia A.","Inclusion of a dithiadiazolyl radical in a seemingly non-porous solid","Chem. Commun.","2017","","","","","10.1039/C7CC06678C","","","0.71073","MoKα","","0.0909","0.0475","","","0.0933","0.1054","","","","","","0.928","","","","has coordinates","201535","2020-10-21","18:00:00",""
"7120720","8.3697","0.0003","10.6009","0.0004","22.4574","0.0008","90","","98.774","0.001","90","","1969.25","0.12","301","2","301","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","CuBx_298K","","","- C34 H40 Cl4 Cu2 N8 -","- C34 H40 Cl4 Cu2 N8 -","- C68 H80 Cl8 Cu4 N16 -","2","0.5","","Nikolayenko, Varvara I.; Barbour, Leonard J.; Arauzo, Ana; Campo, Javier; Rawson, Jeremy M.; Haynes, Delia A.","Inclusion of a dithiadiazolyl radical in a seemingly non-porous solid","Chem. Commun.","2017","","","","","10.1039/C7CC06678C","","","0.71073","MoKα","","0.1121","0.0839","","","0.1348","0.1446","","","","","","1.193","","","","has coordinates","201535","2020-10-21","18:00:00",""
"7120721","8.3927","0.0005","10.8318","0.0006","22.4675","0.0012","90","","99.103","0.002","90","","2016.8","0.2","100","2","100","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","Cubx_phcnssn_298k","","","- C34 H40 Cl4 Cu2 N8 -","- C34 H40 Cl4 Cu2 N8 -","- C68 H80 Cl8 Cu4 N16 -","2","0.5","","Nikolayenko, Varvara I.; Barbour, Leonard J.; Arauzo, Ana; Campo, Javier; Rawson, Jeremy M.; Haynes, Delia A.","Inclusion of a dithiadiazolyl radical in a seemingly non-porous solid","Chem. Commun.","2017","","","","","10.1039/C7CC06678C","","","0.71073","MoKα","","0.239","0.2085","","","0.3781","0.3906","","","","","","1.308","","","","has coordinates,has disorder","201535","2020-10-21","18:00:00",""
"7120722","8.361","0.003","10.911","0.004","22.138","0.008","90","","99.147","0.005","90","","1993.9","1.3","100","2","100","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","CuBx_PhCNSSN_100K","","","- C38.24 H43.03 Cl4 Cu2 N9.21 S1.21 -","- C38.2406 H43.029 Cl4 Cu2 N9.2116 S1.2116 -","- C76.4812 H86.058 Cl8 Cu4 N18.4232 S2.4232 -","2","0.5","","Nikolayenko, Varvara I.; Barbour, Leonard J.; Arauzo, Ana; Campo, Javier; Rawson, Jeremy M.; Haynes, Delia A.","Inclusion of a dithiadiazolyl radical in a seemingly non-porous solid","Chem. Commun.","2017","","","","","10.1039/C7CC06678C","","","0.71073","MoKα","","0.0752","0.0446","","","0.0937","0.1041","","","","","","1.031","","","","has coordinates,has disorder","201535","2020-10-21","18:00:00",""
"7120723","10.795","0.002","9.81","0.002","58.34","0.013","90","","90.622","0.003","90","","6178","2","173.15","","173.15","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C35 H34.4 N O6.7 S -","- C35 H34.355 N O6.6775 S -","- C280 H274.84 N8 O53.42 S8 -","8","2","","Dong, Xiaobiao; Zhang, Guanxin; Shi, Jinbiao; Wang, Yuancheng; Wang, Ming; Peng, Qian; Zhang, Deqing","A highly selective fluorescence turn-on detection of ClO- with 1-methyl-1,2-dihydropyridine-2-thione unit modified tetraphenylethylene","Chem. Commun.","2017","","","","","10.1039/C7CC07092F","","","0.710747","MoKα","","0.0821","0.0702","","","0.1502","0.1575","","","","","","1.126","","","","has coordinates","201536","2020-10-21","18:00:00",""
"7120724","9.806","0.002","10.498","0.002","25.685","0.005","88.718","0.006","87.656","0.006","89.387","0.006","2641.1","0.9","173.15","","173.15","","","","","","","","","4","P -1","-P 1","2","","","","- C34 H29 N O3 -","- C34 H29 N O3 -","- C136 H116 N4 O12 -","4","2","","Dong, Xiaobiao; Zhang, Guanxin; Shi, Jinbiao; Wang, Yuancheng; Wang, Ming; Peng, Qian; Zhang, Deqing","A highly selective fluorescence turn-on detection of ClO- with 1-methyl-1,2-dihydropyridine-2-thione unit modified tetraphenylethylene","Chem. Commun.","2017","","","","","10.1039/C7CC07092F","","","0.71073","MoKα","","0.1019","0.0875","","","0.1958","0.2059","","","","","","1.155","","","","has coordinates,has disorder","201536","2020-10-21","18:00:00",""
"7120725","12.443","0.0004","16.6363","0.0006","18.2241","0.0006","90","","97.499","0.003","90","","3740.2","0.2","123","1","123.15","","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C39 H50 F4 Mg N2 O -","- C39 H50 F4 Mg N2 O -","- C156 H200 F16 Mg4 N8 O4 -","4","1","","Hevia, Eva; Davin, Laia; McLellan, Ross; Kennedy, Alan","Ligand-induced reactivity of β-diketiminate magnesium complexes for regioselective functionalization of fluoroarenes via C-H or C-F bond activations","Chem. Commun.","2017","","","","","10.1039/C7CC07193K","","","1.54184","CuKα","","0.0642","0.0539","","","0.1511","0.1603","","","","","","1.0423","","","","has coordinates,has disorder","201537","2020-10-21","18:00:00",""
"7120726","9.1082","0.0008","11.6359","0.0009","18.2169","0.0017","72.767","0.007","86.724","0.007","84.098","0.007","1833.5","0.3","122.8","","122.8","","","","","","","","","5","P -1","-P 1","2","","","","- C41 H54 Mg N2 O2 -","- C41 H54 Mg N2 O2 -","- C82 H108 Mg2 N4 O4 -","2","1","","Hevia, Eva; Davin, Laia; McLellan, Ross; Kennedy, Alan","Ligand-induced reactivity of β-diketiminate magnesium complexes for regioselective functionalization of fluoroarenes via C-H or C-F bond activations","Chem. Commun.","2017","","","","","10.1039/C7CC07193K","","","0.71073","MoKα","","0.0892","0.0526","","","0.1085","0.1296","","","","","","1.03","","","","has coordinates,has disorder","201537","2020-10-21","18:00:00",""
"7120727","10.7014","0.0004","17.5374","0.0007","18.6212","0.0008","90","","90","","90","","3494.7","0.2","296","2","296","2","","","","","","","","7","P 21 21 21","P 2ac 2ab","19","","","","- C38 H44 B2 Cl Cu O P2 -","- C38 H43 B2 Cl Cu O P2 -","- C152 H172 B8 Cl4 Cu4 O4 P8 -","4","1","","Wang, Sunewang Rixin; Arrowsmith, Merle; Braunschweig, Holger; Dewhurst, Rian David; Paprocki, Valerie; Winner, Lena","CuOTf-mediated intramolecular diborene hydroarylation","Chem. Commun.","2017","","","","","10.1039/C7CC07371B","","","0.71073","MoKα","","0.0335","0.0299","","","0.0713","0.0734","","","","","","0.831","","","","has coordinates","201538","2020-10-21","18:00:00",""
"7120728","11.0551","0.0004","13.8648","0.0006","28.6834","0.0011","90","","99.658","0.001","90","","4334.2","0.3","100","2","100","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C47 H47 B2 F3 O3 P2 S -","- C47 H47 B2 F3 O3 P2 S -","- C188 H188 B8 F12 O12 P8 S4 -","4","1","","Wang, Sunewang Rixin; Arrowsmith, Merle; Braunschweig, Holger; Dewhurst, Rian David; Paprocki, Valerie; Winner, Lena","CuOTf-mediated intramolecular diborene hydroarylation","Chem. Commun.","2017","","","","","10.1039/C7CC07371B","","","0.71073","MoKα","","0.0651","0.0394","","","0.0875","0.1083","","","","","","0.658","","","","has coordinates","201538","2020-10-21","18:00:00",""
"7120729","11.6026","0.0003","16.1479","0.0004","12.6458","0.0003","90","","90","","90","","2369.29","0.1","293","2","293","2","","","","","","","","3","P n a 21","P 2c -2n","33","","3-Acetyl-2-benzyl-4,7-diphenylbicyclo[3.3.1]non-2-en-9-one","","- C30 H28 O2 -","- C30 H28 O2 -","- C120 H112 O8 -","4","1","","Pathipati, Stalin R.; Eriksson, Lars; Selander, Nicklas","Stereoselective synthesis of bicyclo[3.n.1]alkenone frameworks by Lewis acid-catalysis","Chem. Commun.","2017","","","","","10.1039/C7CC06400D","","","0.71073","MoKα","","0.0436","0.0369","","","0.099","0.1044","","","","","","0.949","","","","has coordinates","201568","2020-10-21","18:00:00",""
"7120730","32.33","0.004","32.33","0.004","32.33","0.004","90","","90","","90","","33792","7","273","2","273","2","","","","","","","","7","I m -3 m","-I 4 2 3","229","","","","- C36 H12 Cu3 I3 N6 O24 Ti6 -","- C36 H12 Cu3 I3 N6 O24 Ti6 -","- C288 H96 Cu24 I24 N48 O192 Ti48 -","8","0.0833333","","Sun, Zhong-Ming; Wang, Chao; Liu, Chao; He, Xiang","A Cluster-Based Mesoporous Ti-MOF with Sodalite Supercages","Chem. Commun.","2017","","","","","10.1039/C7CC06652J","","","0.71073","MoKα","","0.0835","0.0695","","","0.1899","0.2013","","","","","","1.107","","","","has coordinates,has disorder","201569","2020-10-21","18:00:00",""
"7120731","9.3496","0.0004","15.1615","0.0005","30.0085","0.0012","95.63","0.003","95.061","0.003","104.331","0.003","4073.6","0.3","293","2","293","2","","","","","","","","4","P -1","-P 1","2","","","","- C81 H84 N8 Zn1.5 -","- C81 H84 N8 Zn1.5 -","- C162 H168 N16 Zn3 -","2","1","","Song, JX; zhang, senmiao; Kim, Jun Oh; Li, Yajie; Wen, Bin; Zhou, Mingbo; Liu, Shubin; Aratani, Naoki; Xu, Ling; Kim, Dongho","Meso-to-meso 2,5-Pyrrolylene Bridged Zig-zag Porphyrin Arrays","Chem. Commun.","2017","","","","","10.1039/C7CC06793C","","","1.54184","CuKα","","0.1742","0.1137","","","0.315","0.3688","","","","","","1.095","","","","has coordinates","201570","2020-10-21","18:00:00",""
"7120732","24.0135","0.0016","27.685","0.002","41.457","0.003","90","","90","","90","","27561","3","296","2","296","2","","","","","","","","4","I b a 2","I 2 -2c","45","","","","- C110 H115 N11 Zn2 -","- C110 H115 N11 Zn2 -","- C880 H920 N88 Zn16 -","8","1","","Song, JX; zhang, senmiao; Kim, Jun Oh; Li, Yajie; Wen, Bin; Zhou, Mingbo; Liu, Shubin; Aratani, Naoki; Xu, Ling; Kim, Dongho","Meso-to-meso 2,5-Pyrrolylene Bridged Zig-zag Porphyrin Arrays","Chem. Commun.","2017","","","","","10.1039/C7CC06793C","","","0.71073","MoKα","","0.1574","0.0734","","","0.1443","0.1637","","","","","","1.004","","","","has coordinates,has disorder","201570","2020-10-21","18:00:00",""
"7120733","20.61","0.003","5.5852","0.0007","23.364","0.003","90","","106.224","0.003","90","","2582.3","0.6","293","2","293","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C18 H13 Cl -","- C18 H13 Cl -","- C144 H104 Cl8 -","8","2","","Fang, Wei; Wei, Yin; Shi, Min","Gold(I)-Catalyzed Intramolecular Tandem Cyclization Reaction of Alkylidenecyclopropane-Containing Alkynes","Chem. Commun.","2017","","","","","10.1039/C7CC07042J","","","0.71073","MoKα","","0.0823","0.0539","","","0.1199","0.1341","","","","","","1.04","","","","has coordinates","201571","2020-10-21","18:00:00",""
"7120734","10.22","0.007","14.584","0.01","17.645","0.012","90","","90","","90","","2630","3","293","2","293","2","","","","","","","","2","P b c a","-P 2ac 2ab","61","","","","- C19 H16 -","- C19 H16 -","- C152 H128 -","8","1","","Fang, Wei; Wei, Yin; Shi, Min","Gold(I)-Catalyzed Intramolecular Tandem Cyclization Reaction of Alkylidenecyclopropane-Containing Alkynes","Chem. Commun.","2017","","","","","10.1039/C7CC07042J","","","0.71073","MoKα","","0.107","0.0661","","","0.153","0.1744","","","","","","1.05","","","","has coordinates","201571","2020-10-21","18:00:00",""
"7120735","32.346","0.003","14.3599","0.0011","26.819","0.002","90","","108.368","0.0011","90","","11822.4","1.7","150","2","150","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","Sb12Zn4 cluster","","- C76.55 H146.2 K4 N8 O24 Sb12 Zn2 -","- C76.555 H146.2 K4 N8 O24 Sb12 Zn2 -","- C306.22 H584.8 K16 N32 O96 Sb48 Zn8 -","4","1","","Wang, Yi; Zavalij, Peter Y.; Eichhorn, Bryan W.","[(ZnSb6)2]4-: a new structure type for coupled norbornadiene-like subunits","Chem. Commun.","2017","","","","","10.1039/C7CC07454A","","","0.71073","MoKα","","0.1166","0.0652","","","0.1351","0.1568","","","","","","1.117","","","","has coordinates,has disorder","201665","2020-10-21","18:00:00",""
"7120736","4.4593","0.0005","15.903","0.0018","16.534","0.002","90","","91.298","0.002","90","","1172.2","0.2","296","2","296","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C14 H13 F N2 O -","- C14 H13 F N2 O -","- C56 H52 F4 N8 O4 -","4","1","","an, zhenyu; Zhao, Lian-Biao; Wu, Mingzhong; ni, jixiang; Qi, Zhenjie; Yu, Guiqin; Yan, Rulong","FeCl3-Catalyzed Synthesis of Pyrrolo[1,2-a]quinoxaline Derivatives from 1-(2-Aminophenyl)pyrroles through Annulation and Cleavage of Cyclic Ethers","Chem. Commun.","2017","","","","","10.1039/C7CC07089F","","","0.71073","MoKα","","0.0519","0.0394","","","0.1348","0.1494","","","","","","1.07","","","","has coordinates","205752","2020-10-21","18:00:00",""
"7120737","10.8403","0.0014","10.8459","0.0014","15.907","0.002","91.467","0.004","103.418","0.004","116.778","0.004","1605.7","0.4","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","","","- C32 H55 B2 N O4 -","- C32 H55 B2 N O4 -","- C64 H110 B4 N2 O8 -","2","1","","Eichhorn, Antonius; Kuehn, Laura; Marder, Todd B.; Radius, Udo","Facile Insertion of a Cyclic Alkyl(Amino) Carbene Carbon into the B-B Bond of Diboron(4) Reagents","Chem. Commun.","2017","","","","","10.1039/C7CC06302D","","","0.71073","MoKα","","0.0763","0.0563","","","0.1469","0.163","","","","","","1.028","","","","has coordinates","201667","2020-10-21","18:00:00",""
"7120738","14.325","0.002","12.0505","0.0018","17.419","0.003","90","","113.316","0.004","90","","2761.4","0.7","100","2","100","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C32 H39 B2 N O4 -","- C32 H39 B2 N O4 -","- C128 H156 B8 N4 O16 -","4","1","","Eichhorn, Antonius; Kuehn, Laura; Marder, Todd B.; Radius, Udo","Facile Insertion of a Cyclic Alkyl(Amino) Carbene Carbon into the B-B Bond of Diboron(4) Reagents","Chem. Commun.","2017","","","","","10.1039/C7CC06302D","","","0.71073","MoKα","","0.0481","0.0393","","","0.0959","0.102","","","","","","1.039","","","","has coordinates","201667","2020-10-21","18:00:00",""
"7120739","19.384","0.002","10.3921","0.0013","15.1929","0.0019","90","","90","","90","","3060.5","0.6","100","2","100","2","","","","","","","","5","P n a 21","P 2c -2n","33","","","","- C30 H51 B2 N O4 -","- C30 H51 B2 N O4 -","- C120 H204 B8 N4 O16 -","4","1","","Eichhorn, Antonius; Kuehn, Laura; Marder, Todd B.; Radius, Udo","Facile Insertion of a Cyclic Alkyl(Amino) Carbene Carbon into the B-B Bond of Diboron(4) Reagents","Chem. Commun.","2017","","","","","10.1039/C7CC06302D","","","0.71073","MoKα","","0.0377","0.0345","","","0.0877","0.0902","","","","","","1.022","","","","has coordinates","201667","2020-10-21","18:00:00",""
"7120740","9.5144","0.0009","15.1352","0.0014","18.597","0.0017","113.046","0.002","95.252","0.002","95.926","0.002","2425.5","0.4","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","","","- C24 H39 B2 N O4 -","- C24 H39 B2 N O4 -","- C96 H156 B8 N4 O16 -","4","2","","Eichhorn, Antonius; Kuehn, Laura; Marder, Todd B.; Radius, Udo","Facile Insertion of a Cyclic Alkyl(Amino) Carbene Carbon into the B-B Bond of Diboron(4) Reagents","Chem. Commun.","2017","","","","","10.1039/C7CC06302D","","","0.71073","MoKα","","0.0685","0.0428","","","0.0945","0.1066","","","","","","1.011","","","","has coordinates","201667","2020-10-21","18:00:00",""
"7120741","22.064","0.003","22.064","0.003","62.075","0.012","90","","90","","90","","30219","8","80","2","80","2","","","","","","","","9","P 4/n c c","-P 4a 2ac","130","","","","- C270 H228 B3 Cl2 F12 I N26 O8 Pd4 -","- C270 H228 B3 Cl2 F12 I N26 O8 Pd4 -","- C1080 H912 B12 Cl8 F48 I4 N104 O32 Pd16 -","4","","","Löffler, Susanne; Wuttke, Axel; Zhang, Bo; Holstein, Julian J.; Mata, Ricardo A.; Clever, Guido H.","Influence of Size, Shape, Heteroatom Content and Dispersive Contributions on Guest Binding in a Coordination Cage","Chem. Commun.","2017","","","","","10.1039/C7CC04855F","","","0.5636","synchrotron","","0.1132","0.095","","","0.3564","0.384","","","","","","1.632","","","","has coordinates,has disorder","201800","2020-10-21","18:00:00",""
"7120742","10.841","0.0017","11.5544","0.0018","15.814","0.003","90","","94.199","0.005","90","","1975.6","0.6","82","2","82","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C18 H27 Fe N7 O -","- C18 H27 Fe N7 O -","- C72 H108 Fe4 N28 O4 -","4","1","","Aguila, David; Dechambenoit, Pierre; Rouzieres, Mathieu; Mathoniere, Corine; Clerac, Rodolphe","Direct crystallographic evidence of the reversible photo-formation and thermo-rupture of a coordination bond inducing spin-crossover phenomenon","Chem. Commun.","2017","","","","","10.1039/C7CC06215J","","","0.71073","MoKα","","0.0785","0.0534","","","0.1349","0.1493","","","","","","1.034","","","","has coordinates","201801","2020-10-21","18:00:00",""
"7120743","10.8084","0.0004","23.0976","0.0011","15.5032","0.0009","90","","94.329","0.002","90","","3859.3","0.3","82","2","82","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C36 H54 Fe2 N14 O2 -","- C36 H50 Fe2 N14 O2 -","- C144 H200 Fe8 N56 O8 -","4","1","","Aguila, David; Dechambenoit, Pierre; Rouzieres, Mathieu; Mathoniere, Corine; Clerac, Rodolphe","Direct crystallographic evidence of the reversible photo-formation and thermo-rupture of a coordination bond inducing spin-crossover phenomenon","Chem. Commun.","2017","","","","","10.1039/C7CC06215J","","","0.71073","MoKα","","0.0873","0.0563","","","0.1269","0.1448","","","","","","1.035","","","","has coordinates,has disorder","201801","2020-10-21","18:00:00",""
"7120744","10.8708","0.0008","23.2716","0.0018","15.6275","0.0014","90","","94.751","0.003","90","","3939.9","0.5","250","2","250","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C36 H54 Fe2 N14 O2 -","- C36 H46 Fe2 N14 O2 -","- C144 H184 Fe8 N56 O8 -","4","1","","Aguila, David; Dechambenoit, Pierre; Rouzieres, Mathieu; Mathoniere, Corine; Clerac, Rodolphe","Direct crystallographic evidence of the reversible photo-formation and thermo-rupture of a coordination bond inducing spin-crossover phenomenon","Chem. Commun.","2017","","","","","10.1039/C7CC06215J","","","0.71073","MoKα","","0.1423","0.0866","","","0.234","0.2836","","","","","","0.999","","","","has coordinates,has disorder","201801","2020-10-21","18:00:00",""
"7120745","10.8196","0.0019","11.5806","0.0018","15.777","0.003","90","","94.491","0.007","90","","1970.7","0.6","82","2","82","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C18 H27 Fe N7 O -","- C18 H27 Fe N7 O -","- C72 H108 Fe4 N28 O4 -","4","1","","Aguila, David; Dechambenoit, Pierre; Rouzieres, Mathieu; Mathoniere, Corine; Clerac, Rodolphe","Direct crystallographic evidence of the reversible photo-formation and thermo-rupture of a coordination bond inducing spin-crossover phenomenon","Chem. Commun.","2017","","","","","10.1039/C7CC06215J","","","0.71073","MoKα","","0.1132","0.0587","","","0.1306","0.1549","","","","","","1.012","","","","has coordinates","201801","2020-10-21","18:00:00",""
"7120746","9.5002","0.0019","43.372","0.009","16.273","0.003","90","","95.34","0.03","90","","6676","2","123","2","123","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C39 H81 Ge9 K O Si9 -","- C39 H81 Ge9 K O Si9 -","- C156 H324 Ge36 K4 O4 Si36 -","4","1","","Mayer, Kerstin; Schiegerl, Lorenz; Kratky, Tim; Guenther, Sebastian; Fässler, Thomas F","TBC - Phil Power's 65th birthday Targeted Attachment of Functional Groups at Ge9 Clusters via Silylation Reactions","Chem. Commun.","2017","","","","","10.1039/C7CC06622H","","","0.71073","MoKα","","0.1141","0.0662","","","0.1637","0.1958","","","","","","1.019","","","","has coordinates","201802","2020-10-21","18:00:00",""
"7120747","18.404","0.004","27.045","0.005","27.036","0.005","90","","100.8","0.03","90","","13218","5","123","2","123","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C78 H150 Ge18 K2 Si18 -","- C78 H150 Ge18 K2 Si18 -","- C312 H600 Ge72 K8 Si72 -","4","1","","Mayer, Kerstin; Schiegerl, Lorenz; Kratky, Tim; Guenther, Sebastian; Fässler, Thomas F","TBC - Phil Power's 65th birthday Targeted Attachment of Functional Groups at Ge9 Clusters via Silylation Reactions","Chem. Commun.","2017","","","","","10.1039/C7CC06622H","","","0.71073","MoKα","","0.129","0.0651","","","0.1404","0.1667","","","","","","0.961","","","","has coordinates","201802","2020-10-21","18:00:00",""
"7120748","6.7287","0.0003","36.9509","0.0016","8.6433","0.0005","90","","105.177","0.006","90","","2074.04","0.19","297","0.5","297","0.5","","","","","","","","3","P 1 21 1","P 2yb","4","","","","- C27 H22 O2 -","- C27 H22 O2 -","- C108 H88 O8 -","4","2","","Ge, Shulin; Kang, Tengfei; Lin, Lili; Zhang, Xiying; Zhao, Peng; Liu, Xiaohua; Feng, Xiaoming","Chiral N,N’-Dioxide/Sc(OTf)3 Complex-Catalyzed Asymmetric Dearomatization of β-Naphthols","Chem. Commun.","2017","","","","","10.1039/C7CC06388A","","x-ray","1.54184","CuKα","","0.0647","0.0599","","","0.1578","0.1653","","","","","","1.041","","","","has coordinates","206489","2020-10-21","18:00:00",""
"7120749","10.8157","0.0001","9.5942","0.0001","21.1289","0.0002","90","","91.349","0.001","90","","2191.9","0.04","123.01","0.1","123.01","0.1","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C30 H24 O2 -","- C30 H24 O2 -","- C120 H96 O8 -","4","1","","Pagire, Santosh K.; Hossain, Asik; Traub, Lukas; Kerres, Sabine; Reiser, Oliver","Photosensitised Regioselective [2+2]-Cycloaddition of Cinnamates and related Alkenes","Chem. Commun.","2017","","","","","10.1039/C7CC06710K","","x-ray","1.54184","CuKα","","0.0367","0.0338","","","0.0849","0.0873","","","","","","1.0479","","","","has coordinates","201840","2020-10-21","18:00:00",""
"7120750","5.9106","0.0015","15.41","0.004","16.103","0.004","93.706","0.003","90.347","0.003","96.046","0.003","1455.4","0.6","296","2","296","2","","","","","","","","5","P -1","-P 1","2","","","","- C18 H10 F3 N S -","- C18 H10 F3 N S -","- C72 H40 F12 N4 S4 -","4","2","","Zhu, Xiaoming; Yang, Yuzhong; Xiao, Genhua; Song, JX; Liang , Yun; Deng, Guobo","Double C-S Bonds Formation via C-H Bonds Functionalization: Synthesis of Benzothiazoles and Naphtho[2,1-d]yhiazoles from N-Substituted Arylamines and Elemental Sulfur","Chem. Commun.","2017","","","","","10.1039/C7CC07366F","","","0.71073","MoKα","","0.0565","0.0471","","","0.1341","0.142","","","","","","1.059","","","","has coordinates","201867","2020-10-21","18:00:00",""
"7120751","13.234","0.004","11.14","0.003","15.953","0.005","90","","109.502","0.009","90","","2217","1.1","103","2","103","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C26 H24 N2 O5 -","- C26 H24 N2 O5 -","- C104 H96 N8 O20 -","4","1","","Wang, Yuhuang; WU, XINGXING; Chi, Yonggui Robin","Synthesis of Indanes via Carbene-Catalyzed Single-Electron-Transfer Processes and Cascade Reactions","Chem. Commun.","2017","","","","","10.1039/C7CC07208B","","","0.71073","MoKα","","0.1037","0.0537","","","0.1183","0.1451","","","","","","1.013","","","","has coordinates","201868","2020-10-21","18:00:00",""
"7120752","13.541","0.008","14.426","0.008","14.744","0.009","68.437","0.012","74.165","0.011","86.838","0.011","2574","3","296","2","296","2","","","","","","","","7","P -1","-P 1","2","","","","- C42 H40 Cl Cu2 N12 O4 S3 -","- C42 H40 Cl Cu2 N12 O4 S3 -","- C84 H80 Cl2 Cu4 N24 O8 S6 -","2","1","","Wang, Yu-Ting; Fang, Yan; Zhao, Meng; Li, Xue; Ji, Yu-Mei; Han, Qiuxia","Cu(II), Ga(III) and In(III) Complexes of 2-Acetylpyridine N(4)-phenylthiosemicarbazone: Synthesis, Spectral Characterization and Biological Activities","Med. Chem. Commun.","2017","","","","","10.1039/C7MD00415J","","","0.71073","MoKα","","0.2066","0.143","","","0.4065","0.4264","","","","","","1.037","","","","has coordinates","201879","2020-10-21","18:00:00",""
"7120753","9.0501","0.0015","23.867","0.004","14.345","0.002","90","","91.847","0.003","90","","3096.9","0.8","296","2","296","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C28 H30 Ga N9 O5 S2 -","- C28 H26 Ga N9 O5 S2 -","- C112 H104 Ga4 N36 O20 S8 -","4","1","","Wang, Yu-Ting; Fang, Yan; Zhao, Meng; Li, Xue; Ji, Yu-Mei; Han, Qiuxia","Cu(II), Ga(III) and In(III) Complexes of 2-Acetylpyridine N(4)-phenylthiosemicarbazone: Synthesis, Spectral Characterization and Biological Activities","Med. Chem. Commun.","2017","","","","","10.1039/C7MD00415J","","","0.71073","MoKα","","0.1052","0.0698","","","0.2144","0.2301","","","","","","0.959","","","","has coordinates","201879","2020-10-21","18:00:00",""
"7120754","19.8872","0.0019","15.2811","0.0014","20.7702","0.0019","90","","90","","90","","6312","1","296","2","296","2","","","","","","","","6","P b c a","-P 2ac 2ab","61","","","","- C28 H28 In N9 O4 S2 -","- C28 H26 In N9 O4 S2 -","- C224 H208 In8 N72 O32 S16 -","8","1","","Wang, Yu-Ting; Fang, Yan; Zhao, Meng; Li, Xue; Ji, Yu-Mei; Han, Qiuxia","Cu(II), Ga(III) and In(III) Complexes of 2-Acetylpyridine N(4)-phenylthiosemicarbazone: Synthesis, Spectral Characterization and Biological Activities","Med. Chem. Commun.","2017","","","","","10.1039/C7MD00415J","","","0.71073","MoKα","","0.0965","0.0427","","","0.1035","0.113","","","","","","0.854","","","","has coordinates","201879","2020-10-21","18:00:00",""
"7120755","9.3189","0.0006","17.4284","0.0011","17.8836","0.0016","90","","90","","90","","2904.5","0.4","180","0.1","180","0.1","","","","","","","","6","P b c a","-P 2ac 2ab","61","","","","- C15 H11 F4 N O2 S -","- C15 H11 F4 N O2 S -","- C120 H88 F32 N8 O16 S8 -","8","1","","Tang, Yefeng; Wang, Yuanhao; Li, Yuanhe; Fan, Yijun; Wang, Zhiguo","Palladium-Catalyzed Denitrogenative Functionalizations of Benzotriazoles with Alkenes and 1,3-Dienes","Chem. Commun.","2017","","","","","10.1039/C7CC07543J","","","0.71073","MoKα","","0.0812","0.0522","","","0.1219","0.1427","","","","","","1.032","","","","has coordinates","201901","2020-10-21","18:00:00",""
"7120756","10.5885","0.001","6.0938","0.0005","25.337","0.003","90","","96.337","0.011","90","","1624.9","0.3","293","2","293.15","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C16 H17 N O3 S2 -","- C16 H17 N O3 S2 -","- C64 H68 N4 O12 S8 -","4","1","","Huang, Bo; Zeng, Linwei; Shen, Yangyong; Cui, Sunliang","Nickel-Catalyzed Acetamidation and Lactamization of Arylboronic Acids","Chem. Commun.","2017","","","","","10.1039/C7CC07055A","","","0.71073","MoKα","","0.1819","0.151","","","0.3539","0.3724","","","","","","1.412","","","","has coordinates,has disorder","201902","2020-10-21","18:00:00",""
"7120757","11.015","0.004","12.958","0.003","13.124","0.004","66.192","0.015","67.724","0.015","70.354","0.015","1548.3","0.8","296","2","296","2","","","","","","","","5","P -1","-P 1","2","","","","- C33 H28 N4 O5 S4 -","- C33 H28 N4 O5 S4 -","- C66 H56 N8 O10 S8 -","2","1","","Vakuliuk, Olena; Shota, Ooi; Deperasińska, Irena; Staszewska-Krajewska, Olga; Banasiewicz, Marzena; Kozankiewicz, Boleslaw; Danylyuk, Oksana; Gryko, Daniel","Unprecedented rearrangement of diketopyrrolopyrroles leads to structurally unique chromophores","Chem. Commun.","2017","","","","","10.1039/C7CC07310K","","","1.54178","CuKα","","0.1434","0.0815","","","0.1909","0.2158","","","","","","1.036","","","","has coordinates,has disorder","201930","2020-10-21","18:00:00",""
"7120758","11.035","0.005","5.298","0.005","35.455","0.005","90","0.005","95.937","0.005","90","0.005","2062","2","100","2","100","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C24 H21 F N2 O S -","- C24 H21 F N2 O S -","- C96 H84 F4 N8 O4 S4 -","4","1","","Maity, Saurabh; Karmakar, Ujjwal; Samanta, Rajarshi","Regiocontrolled Direct C4 and C2-Methyl Thiolation of Indoles under Rhodium Catalyzed Mild Conditions","Chem. Commun.","2017","","","","","10.1039/C7CC07086A","","","0.71069","MoKα","","0.1529","0.0597","","","0.1211","0.158","","","","","","0.932","","","","has coordinates","201931","2020-10-21","18:00:00",""
"7120759","19.7171","0.0008","48.1436","0.0019","22.2536","0.0006","90","","110.35","0.004","90","","19805.8","1.3","150","0.1","150","0.1","","","","","","","","5","C 1 c 1","C -2yc","9","","","","- C102 H116 Cl3 N11 O9 -","- C75 H40 N11 O9 -","- C600 H320 N88 O72 -","8","2","","Aparicio, Fátima; Faour, Lara; Allain, Magali; Canevet, David; Salle, Marc","Pyrene-functionalized Foldamer: Structural Impact and Recognition Properties supported by Donor-Acceptor Interactions","Chem. Commun.","2017","","","","","10.1039/C7CC07253H","","x-ray","1.54184","CuKα","","0.1154","0.0792","","","0.2173","0.2516","","","","","","0.864","","","","has coordinates","206489","2020-10-21","18:00:00",""
"7120760","10.902","0.0004","17.4447","0.0006","38.6793","0.0014","90","","90","","90","","7356.1","0.5","296","2","296","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C68 H75 F12 N6 O14 P2 -","- C68 H75 F12 N6 O14 P2 -","- C272 H300 F48 N24 O56 P8 -","4","1","","Cheng, Ming; Zhang, Jing; Ren, Xintong; Guo, Shuwen; Xiao, Tangxin; Hu, Xiao-Yu; Jiang, Juli; Wang, Leyong","Acid/base-controllable Fluorescent Molecular Switches Based on Cryptands and Basic N-Heteroaromatics","Chem. Commun.","2017","","","","","10.1039/C7CC07469G","","","0.71073","MoKα","","0.0868","0.0754","","","0.2337","0.2504","","","","","","1.106","","","","has coordinates,has disorder","201933","2020-10-21","18:00:00",""
"7120761","13.0103","0.0008","13.9521","0.0008","26.197","0.0015","90","","99.6888","0.0012","90","","4687.5","0.5","180.45","","180.45","","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C59 H36 Ce N4 O5 -","- C59 H36 Ce N4 O5 -","- C236 H144 Ce4 N16 O20 -","4","1","","Hardy, Emily Elizabeth; Wyss, Kevin M.; Gorden, John D.; Ariyarathna, Isuru R.; Miliordos, Evangelos; Gorden, Anne E. V.","Th(IV) and Ce(IV) Napthylsalophen Sandwich Complexes: Characterization of Unusual Thorium Fluorescence in Solution and Solid-state","Chem. Commun.","2017","","","","","10.1039/C7CC06868A","","","0.71073","MoKα","","0.0442","0.0292","","","0.0699","0.0769","","","","","","1.0683","","","","has coordinates","201934","2020-10-21","18:00:00",""
"7120762","11.4987","0.0003","14.3617","0.0004","16.2769","0.0005","106.221","0.0011","90.8257","0.0011","94.1515","0.0011","2572.52","0.13","180.45","","180.45","","","","","","","","","5","P -1","-P 1","2","","","","- C66.5 H47.5 N4 O4 Th -","- C66.5 H47.5 N4 O4 Th -","- C133 H95 N8 O8 Th2 -","2","1","","Hardy, Emily Elizabeth; Wyss, Kevin M.; Gorden, John D.; Ariyarathna, Isuru R.; Miliordos, Evangelos; Gorden, Anne E. V.","Th(IV) and Ce(IV) Napthylsalophen Sandwich Complexes: Characterization of Unusual Thorium Fluorescence in Solution and Solid-state","Chem. Commun.","2017","","","","","10.1039/C7CC06868A","","","0.71073","MoKα","","0.0454","0.0305","","","0.0547","0.0582","","","","","","1.0413","","","","has coordinates","201934","2020-10-21","18:00:00",""
"7120763","14.5955","0.0008","16.201","0.001","20.8185","0.0012","79.645","0.003","76.624","0.003","80.373","0.003","4670.5","0.5","100","2","100","2","","","","","","","","6","P -1","-P 1","2","(PNP-Cy)Y(CH2SiMe3)2","(2,5-bis((dicyclohexylphosphanyl)methyl)-1H-pyrrol-1-yl)bis((trimethylsilyl)methyl)yttrium","","- C76 H144 N2 P4 Si4 Y2 -","- C76 H144 N2 P4 Si4 Y2 -","- C152 H288 N4 P8 Si8 Y4 -","2","1","","Levine, Daniel S.; Tilley, T. Don; Andersen, R.","Efficient and Selective Catalysis for Hydrogenation and Hydrosilation of Alkenes and Alkynes with PNP Complexes of Scandium and Yttrium","Chem. Commun.","2017","","","","","10.1039/C7CC06417A","","","0.71073","MoKα","","0.1161","0.0625","","","0.1416","0.1692","","","","","","1.042","","","","has coordinates","201935","2020-10-21","18:00:00",""
"7120764","15.7481","0.0002","31.2188","0.0005","33.7366","0.0004","90","","90","","90","","16586.2","0.4","150","2","150","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C118.5 H194.5 Cl11.5 N4 O56 Pd2 -","- C118.5 H194.5 Cl11.5 N4 O56 Pd2 -","- C474 H778 Cl46 N16 O224 Pd8 -","4","1","","Sechet, D.; Kaya, Z.; Phan, T.-A.; Jouffroy, M.; Bentouhami, E.; Armspach, D.; Matt, D.; Toupet, L.","Aza-capped cyclodextrins for intra-cavity metal complexation","Chem. Commun.","2017","","","","","10.1039/C7CC06434A","","x-ray","1.54184","CuKα","","0.1289","0.1236","","","0.3477","0.3546","","","","","","1.531","","","","has coordinates","201958","2020-10-21","18:00:00",""
"7120765","28.2881","0.0008","29.3527","0.0008","10.8184","0.0003","90","","90","","90","","8982.9","0.4","173","2","173","2","","","","","","","","6","P 21 21 2","P 2 2ab","18","","","","- C69 H116 Cl6 N2 O33 Pd -","- C69 H116 Cl6 N2 O33 Pd -","- C276 H464 Cl24 N8 O132 Pd4 -","4","1","","Sechet, D.; Kaya, Z.; Phan, T.-A.; Jouffroy, M.; Bentouhami, E.; Armspach, D.; Matt, D.; Toupet, L.","Aza-capped cyclodextrins for intra-cavity metal complexation","Chem. Commun.","2017","","","","","10.1039/C7CC06434A","","","1.54178","CuKα","","0.0818","0.0575","","","0.126","0.1365","","","","","","1.048","","","","has coordinates,has disorder","201958","2020-10-21","18:00:00",""
"7120766","11.5001","0.0001","13.0412","0.0002","15.812","0.0002","90","","90","","90","","2371.41","0.05","150","2","150","2","","","","","","","","7","P 21 21 21","P 2ac 2ab","19","","","","- C22 H28 B Cl F4 Ir N5 -","- C22 H28 B Cl F4 Ir N5 -","- C88 H112 B4 Cl4 F16 Ir4 N20 -","4","1","","Schön, Florian; Leist, Marko; Neuba, Adam; Lang, Johannes; Braun, Carolin; Sun, Yu; Niedner-Schatterburg, Gereon; Braese, Stefan; Thiel, Werner R.","A direct access to heterobimetallic complexes by roll-over cyclometallation","Chem. Commun.","2017","","","","","10.1039/C7CC07119A","","","1.54184","CuKα","","0.0276","0.0274","","","0.07","0.0701","","","","","","1.137","","","","has coordinates","201959","2020-10-21","18:00:00",""
"7120767","8.7625","0.0007","13.8954","0.001","14.7185","0.001","66.417","0.007","79.935","0.006","85.543","0.006","1617.1","0.2","150","2","150","2","","","","","","","","6","P -1","-P 1","2","","","","- C22 H27 Cl9 Ir N5 Pt -","- C22 H27 Cl9 Ir N5 Pt -","- C44 H54 Cl18 Ir2 N10 Pt2 -","2","1","","Schön, Florian; Leist, Marko; Neuba, Adam; Lang, Johannes; Braun, Carolin; Sun, Yu; Niedner-Schatterburg, Gereon; Braese, Stefan; Thiel, Werner R.","A direct access to heterobimetallic complexes by roll-over cyclometallation","Chem. Commun.","2017","","","","","10.1039/C7CC07119A","","","1.54184","CuKα","","0.1148","0.1095","","","0.2854","0.2927","","","","","","1.379","","","","has coordinates","201959","2020-10-21","18:00:00",""
"7120768","17.1438","0.0003","8.2819","0.0001","15.3025","0.0003","90","","107.993","0.002","90","","2066.44","0.06","150","2","150","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C20 H25 Cl Ir N5 -","- C20 H25 Cl Ir N5 -","- C80 H100 Cl4 Ir4 N20 -","4","1","","Schön, Florian; Leist, Marko; Neuba, Adam; Lang, Johannes; Braun, Carolin; Sun, Yu; Niedner-Schatterburg, Gereon; Braese, Stefan; Thiel, Werner R.","A direct access to heterobimetallic complexes by roll-over cyclometallation","Chem. Commun.","2017","","","","","10.1039/C7CC07119A","","","1.54184","CuKα","","0.0375","0.036","","","0.0918","0.0931","","","","","","1.092","","","","has coordinates","201959","2020-10-21","18:00:00",""
"7120769","13.4361","0.0003","14.4172","0.0004","14.9673","0.0004","90","","90","","90","","2899.33","0.13","150","2","150","2","","","","","","","","3","P b n b","-P 2bc 2ab","56","","[η8-Pn*Zr]2(μ-η6:η6-C6H6)","","- C34 H42 Zr2 -","- C34 H42 Zr2 -","- C136 H168 Zr8 -","4","0.5","","Kilpatrick, Alexander Florian Ross; Green, Jennifer; Turner, Zoe; Buffet, Jean-Charles; O’Hare, Dermot","Zirconium arene triple-decker sandwich complexes: Synthesis, electronic structure and bonding","Chem. Commun.","2017","","","","","10.1039/C7CC07083G","","","0.71073","MoKα","","0.0685","0.0378","","","0.0879","0.097","","","","","","0.983","","","","has coordinates","202008","2020-10-21","18:00:00",""
"7120770","9.4522","0.0001","15.4296","0.0002","23.235","0.0003","89.097","0.001","88.321","0.001","72.418","0.001","3228.91","0.07","150","2","150","2","","","","","","","","3","P -1","-P 1","2","","","","- C37 H48 Zr2 -","- C37 H48 Zr2 -","- C148 H192 Zr8 -","4","2","","Kilpatrick, Alexander Florian Ross; Green, Jennifer; Turner, Zoe; Buffet, Jean-Charles; O’Hare, Dermot","Zirconium arene triple-decker sandwich complexes: Synthesis, electronic structure and bonding","Chem. Commun.","2017","","","","","10.1039/C7CC07083G","","","0.71073","MoKα","","0.0879","0.0481","","","0.1017","0.1142","","","","","","1.04","","","","has coordinates","202008","2020-10-21","18:00:00",""
"7120771","13.3867","0.0002","14.8682","0.0002","16.7564","0.0002","96.391","0.001","109.561","0.001","90.021","0.001","3120.59","0.08","150","2","150","2","","","","","","","","3","P -1","-P 1","2","","","","- C36 H46 Zr2 -","- C36 H46 Zr2 -","- C144 H184 Zr8 -","4","2","","Kilpatrick, Alexander Florian Ross; Green, Jennifer; Turner, Zoe; Buffet, Jean-Charles; O’Hare, Dermot","Zirconium arene triple-decker sandwich complexes: Synthesis, electronic structure and bonding","Chem. Commun.","2017","","","","","10.1039/C7CC07083G","","","0.71073","MoKα","","0.0683","0.0384","","","0.0838","0.0949","","","","","","1.036","","","","has coordinates","202008","2020-10-21","18:00:00",""
"7120772","14.4103","0.0003","13.6833","0.0003","16.547","0.0004","90","","107.418","0.001","90","","3113.14","0.12","150","2","150","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C36 H46 Zr2 -","- C36 H46 Zr2 -","- C144 H184 Zr8 -","4","1","","Kilpatrick, Alexander Florian Ross; Green, Jennifer; Turner, Zoe; Buffet, Jean-Charles; O’Hare, Dermot","Zirconium arene triple-decker sandwich complexes: Synthesis, electronic structure and bonding","Chem. Commun.","2017","","","","","10.1039/C7CC07083G","","","0.71073","MoKα","","0.0669","0.0384","","","0.0875","0.1001","","","","","","0.963","","","","has coordinates","202008","2020-10-21","18:00:00",""
"7120773","13.1736","0.0005","14.3455","0.0006","15.6258","0.0008","90","","90","","90","","2953","0.2","150","2","150.15","","","","","","","","","3","P b n b","-P 2bc 2ab","56","","","","- C35 H44 Zr2 -","- C35 H44 Zr2 -","- C140 H176 Zr8 -","4","0.5","","Kilpatrick, Alexander Florian Ross; Green, Jennifer; Turner, Zoe; Buffet, Jean-Charles; O’Hare, Dermot","Zirconium arene triple-decker sandwich complexes: Synthesis, electronic structure and bonding","Chem. Commun.","2017","","","","","10.1039/C7CC07083G","","","0.71073","MoKα","","0.1158","0.0536","","","0.1106","0.1312","","","","","","1.057","","","","has coordinates,has disorder","202008","2020-10-21","18:00:00",""
"7120774","26.0279","0.001","14.1706","0.0005","27.354","0.001","90","","97.351","0.002","90","","10006.1","0.6","100","2","100","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C72 H162 Ce2 O24 Si6 -","- C72 H162 Ce2 O24 Si6 -","- C288 H648 Ce8 O96 Si24 -","4","0.5","","Friedrich, Jochen; Maichle-moessmer, Caecilia; Anwander, Reiner","Synthesis and derivatisation of ceric tris(tert-butoxy)siloxides","Chem. Commun.","2017","","","","","10.1039/C7CC06499C","","","0.71073","MoKα","","0.0664","0.0453","","","0.0833","0.0895","","","","","","1.145","","","","has coordinates,has disorder","202009","2020-10-21","18:00:00",""
"7120775","19.3644","0.0015","20.0689","0.0016","20.9286","0.0018","90","","111.894","0.003","90","","7546.7","1.1","100","2","100","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C53 H123 Ce O16 Si5 Zn -","- C53 H123 Ce O16 Si5 Zn -","- C212 H492 Ce4 O64 Si20 Zn4 -","4","0.5","","Friedrich, Jochen; Maichle-moessmer, Caecilia; Anwander, Reiner","Synthesis and derivatisation of ceric tris(tert-butoxy)siloxides","Chem. Commun.","2017","","","","","10.1039/C7CC06499C","","","0.71073","MoKα","","0.0367","0.0279","","","0.0622","0.0665","","","","","","1.022","","","","has coordinates,has disorder","202009","2020-10-21","18:00:00",""
"7120776","13.237","0.002","20.065","0.004","28.704","0.005","90","","90.639","0.01","90","","7623","2","100","2","100","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C48 H108 Ce Cl O16 Si4 Zn -","- C48 H108 Ce Cl O16 Si4 Zn -","- C192 H432 Ce4 Cl4 O64 Si16 Zn4 -","4","1","","Friedrich, Jochen; Maichle-moessmer, Caecilia; Anwander, Reiner","Synthesis and derivatisation of ceric tris(tert-butoxy)siloxides","Chem. Commun.","2017","","","","","10.1039/C7CC06499C","","","0.71073","","","0.0959","0.0557","","","0.1365","0.1512","","","","","","0.983","","","","has coordinates,has disorder","202009","2020-10-21","18:00:00",""
"7120777","46.814","0.003","13.9872","0.0009","19.116","0.0012","90","","99.748","0.002","90","","12336.4","1.4","103","2","103","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C47 H104 Ce O15.5 Si3 -","- C47 H104 Ce O15.5 Si3 -","- C376 H832 Ce8 O124 Si24 -","8","1","","Friedrich, Jochen; Maichle-moessmer, Caecilia; Anwander, Reiner","Synthesis and derivatisation of ceric tris(tert-butoxy)siloxides","Chem. Commun.","2017","","","","","10.1039/C7CC06499C","","","0.71073","MoKα","","0.0373","0.0296","","","0.0674","0.0712","","","","","","1.069","","","","has coordinates,has disorder","202009","2020-10-21","18:00:00",""
"7120778","16.545","0.003","9.2664","0.0015","20.324","0.003","90","","115.236","0.01","90","","2818.5","0.8","173","2","173","2","","","","","","","","6","P 1 2/c 1","-P 2yc","13","","","","- C44 H94 Ce Cl O13 Si2 -","- C44 H94 Ce Cl O13 Si2 -","- C88 H188 Ce2 Cl2 O26 Si4 -","2","0.5","","Friedrich, Jochen; Maichle-moessmer, Caecilia; Anwander, Reiner","Synthesis and derivatisation of ceric tris(tert-butoxy)siloxides","Chem. Commun.","2017","","","","","10.1039/C7CC06499C","","","0.71073","MoKα","","0.051","0.0348","","","0.0762","0.0824","","","","","","1.046","","","","has coordinates,has disorder","202009","2020-10-21","18:00:00",""
"7120779","24.8822","0.0013","14.2617","0.0008","38.922","0.002","90","","107.382","0.001","90","","13181.2","1.2","173","2","173","2","","","","","","","","6","C 1 c 1","C -2yc","9","","","","- C46 H101 Ce Cl O14.5 Si3 -","- C46 H101 Ce Cl O14.5 Si3 -","- C368 H808 Ce8 Cl8 O116 Si24 -","8","2","","Friedrich, Jochen; Maichle-moessmer, Caecilia; Anwander, Reiner","Synthesis and derivatisation of ceric tris(tert-butoxy)siloxides","Chem. Commun.","2017","","","","","10.1039/C7CC06499C","","","0.71073","MoKα","","0.0423","0.0371","","","0.0855","0.0883","","","","","","1.036","","","","has coordinates,has disorder","202009","2020-10-21","18:00:00",""
"7120780","16.6416","0.0009","22.8253","0.0013","18.8236","0.001","90","","92.368","0.003","90","","7144","0.7","100","2","100","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C56 H121 Ce O17 Si3 -","- C56 H121 Ce O17 Si3 -","- C224 H484 Ce4 O68 Si12 -","4","1","","Friedrich, Jochen; Maichle-moessmer, Caecilia; Anwander, Reiner","Synthesis and derivatisation of ceric tris(tert-butoxy)siloxides","Chem. Commun.","2017","","","","","10.1039/C7CC06499C","","","0.71073","MoKα","","0.0505","0.0357","","","0.0826","0.0896","","","","","","1.062","","","","has coordinates,has disorder","202009","2020-10-21","18:00:00",""
"7120781","24.1857","0.0006","13.5705","0.0003","41.0143","0.001","90","","96.553","0.001","90","","13373.4","0.6","200","2","200","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C48 H108 Ce O16 Si4 -","- C48 H108 Ce O16 Si4 -","- C384 H864 Ce8 O128 Si32 -","8","1","","Friedrich, Jochen; Maichle-moessmer, Caecilia; Anwander, Reiner","Synthesis and derivatisation of ceric tris(tert-butoxy)siloxides","Chem. Commun.","2017","","","","","10.1039/C7CC06499C","","","0.71073","MoKα","","0.0589","0.0403","","","0.0769","0.083","","","","","","1.077","","","","has coordinates,has disorder","202009","2020-10-21","18:00:00",""
"7120782","7.9427","0.0016","12.732","0.003","22.382","0.004","90","","90.08","0.005","90","","2263.4","0.8","170","","170","","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C23 H24 N4 O7 -","- C23 H24 N4 O7 -","- C92 H96 N16 O28 -","4","1","","Yu, Qihui; Yan, zhicheng; Bao, junjie; Wang, Jian-Rong; Mei, Xuefeng","Taming photo-induced oxidation degradation of dihydropyridine drugs through cocrystallization","Chem. Commun.","2017","","","","","10.1039/C7CC06992H","","","0.71073","MoKα","","0.1188","0.057","","","0.1563","0.2","","","","","","0.994","","","","has coordinates","202033","2020-10-21","18:00:00",""
"7120783","7.5743","0.0002","11.4918","0.0004","13.8653","0.0004","106.089","0.002","97.442","0.002","103.739","0.002","1101.47","0.06","170","","170","","","","","","","","","4","P -1","-P 1","2","","","","- C23 H24 N4 O7 -","- C23 H24 N4 O7 -","- C46 H48 N8 O14 -","2","1","","Yu, Qihui; Yan, zhicheng; Bao, junjie; Wang, Jian-Rong; Mei, Xuefeng","Taming photo-induced oxidation degradation of dihydropyridine drugs through cocrystallization","Chem. Commun.","2017","","","","","10.1039/C7CC06992H","","","0.71073","MoKα","","0.0936","0.0574","","","0.136","0.1507","","","","","","1.052","","","","has coordinates","202033","2020-10-21","18:00:00",""
"7120784","7.8608","0.0009","12.3313","0.0014","22.699","0.003","90","","90","","90","","2200.3","0.5","170","","170","","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C23 H24 N4 O7 -","- C23 H24 N4 O7 -","- C92 H96 N16 O28 -","4","1","","Yu, Qihui; Yan, zhicheng; Bao, junjie; Wang, Jian-Rong; Mei, Xuefeng","Taming photo-induced oxidation degradation of dihydropyridine drugs through cocrystallization","Chem. Commun.","2017","","","","","10.1039/C7CC06992H","","","0.71073","MoKα","","0.0518","0.0399","","","0.0962","0.1026","","","","","","1.011","","","","has coordinates","202033","2020-10-21","18:00:00",""
"7120785","11.837","0.002","15.91","0.003","12.607","0.002","90","","98.114","0.004","90","","2350.5","0.7","293","2","293","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C22 H26 N2 O6 Pd2 -","- C22 H26 N2 O6 Pd2 -","- C88 H104 N8 O24 Pd8 -","4","1","","Ma, Cong; Zhao, Chuan-Qi; Li, Yi-Qian; Zhang, Li-Pu; Xu, Xuetao; Zhang, Kun; Mei, Tian-Sheng","Palladium-Catalyzed C−H Activation/C‒C Cross-Coupling Reactions via Electrochemistry","Chem. Commun.","2017","","","","","10.1039/C7CC07429H","","","0.71073","MoKα","","0.0428","0.0338","","","0.0793","0.0847","","","","","","1.007","","","","has coordinates","202034","2020-10-21","18:00:00",""
"7120786","7.9348","0.0003","30.5114","0.001","11.7516","0.0005","90","","106.87","0.008","90","","2722.6","0.2","173","","173","","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C24 H46 Cl Fe N P2 -","- C24 H46 Cl Fe N P2 -","- C96 H184 Cl4 Fe4 N4 P8 -","4","1","","Sekiguchi, Yoshiya; Kuriyama, Shogo; Eizawa, Aya; Arashiba, Kazuya; Nakajima, Kazunari; Nishibayashi, Yoshiaki","Synthesis and reactivity of iron‒dinitrogen complexes bearing anionic methyl- and phenyl-substituted pyrrole-based PNP-type pincer ligands toward catalytic nitrogen fixation","Chem. Commun.","2017","","","","","10.1039/C7CC06987A","","","0.71075","MoKα","","0.0638","0.0431","","","0.0942","0.1008","","","","","","1.027","","","","has coordinates","202035","2020-10-21","18:00:00",""
"7120787","12.1149","0.0004","14.9649","0.0005","18.4913","0.0006","90","","90","","90","","3352.44","0.19","173","","173","","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C34 H50 Cl Fe N P2 -","- C34 H50 Cl Fe N P2 -","- C136 H200 Cl4 Fe4 N4 P8 -","4","1","","Sekiguchi, Yoshiya; Kuriyama, Shogo; Eizawa, Aya; Arashiba, Kazuya; Nakajima, Kazunari; Nishibayashi, Yoshiaki","Synthesis and reactivity of iron‒dinitrogen complexes bearing anionic methyl- and phenyl-substituted pyrrole-based PNP-type pincer ligands toward catalytic nitrogen fixation","Chem. Commun.","2017","","","","","10.1039/C7CC06987A","","","0.71075","MoKα","","0.0731","0.0538","","","0.1235","0.1366","","","","","","1.031","","","","has coordinates","202035","2020-10-21","18:00:00",""
"7120788","11.3469","0.0015","12.4305","0.0017","23.789","0.003","90","","90","","90","","3355.4","0.8","296","","296","","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C34 H50 Fe N3 P2 -","- C34 H50 Fe N3 P2 -","- C136 H200 Fe4 N12 P8 -","4","1","","Sekiguchi, Yoshiya; Kuriyama, Shogo; Eizawa, Aya; Arashiba, Kazuya; Nakajima, Kazunari; Nishibayashi, Yoshiaki","Synthesis and reactivity of iron‒dinitrogen complexes bearing anionic methyl- and phenyl-substituted pyrrole-based PNP-type pincer ligands toward catalytic nitrogen fixation","Chem. Commun.","2017","","","","","10.1039/C7CC06987A","","","0.71075","MoKα","","0.0867","0.0539","","","0.1119","0.1271","","","","","","1.059","","","","has coordinates","202035","2020-10-21","18:00:00",""
"7120789","13.6593","0.0003","19.7786","0.0006","25.3257","0.0007","71.984","0.005","88.405","0.006","81.675","0.006","6437","0.4","173","","173","","","","","","","","","8","P -1","-P 1","2","","","","- C116 H128 B2 F48 Fe2 N4 O P4 -","- C116 H128 B2 F48 Fe2 N4 O P4 -","- C232 H256 B4 F96 Fe4 N8 O2 P8 -","2","1","","Sekiguchi, Yoshiya; Kuriyama, Shogo; Eizawa, Aya; Arashiba, Kazuya; Nakajima, Kazunari; Nishibayashi, Yoshiaki","Synthesis and reactivity of iron‒dinitrogen complexes bearing anionic methyl- and phenyl-substituted pyrrole-based PNP-type pincer ligands toward catalytic nitrogen fixation","Chem. Commun.","2017","","","","","10.1039/C7CC06987A","","","0.71075","MoKα","","0.1318","0.0857","","","0.165","0.1828","","","","","","1.011","","","","has coordinates","202035","2020-10-21","18:00:00",""
"7120790","12.2583","0.0015","12.4893","0.0014","21.819","0.003","87.436","0.006","73.611","0.005","88.777","0.006","3201.4","0.7","173","","173","","","","","","","","","7","P -1","-P 1","2","","","","- C54 H55 B F24 Fe N3 P2 -","- C54 H55 B F24 Fe N3 P2 -","- C108 H110 B2 F48 Fe2 N6 P4 -","2","1","","Sekiguchi, Yoshiya; Kuriyama, Shogo; Eizawa, Aya; Arashiba, Kazuya; Nakajima, Kazunari; Nishibayashi, Yoshiaki","Synthesis and reactivity of iron‒dinitrogen complexes bearing anionic methyl- and phenyl-substituted pyrrole-based PNP-type pincer ligands toward catalytic nitrogen fixation","Chem. Commun.","2017","","","","","10.1039/C7CC06987A","","","0.71075","MoKα","","0.2876","0.1199","","","0.1878","0.2333","","","","","","1.001","","","","has coordinates","202035","2020-10-21","18:00:00",""
"7120791","7.9977","0.0009","30.408","0.004","11.7607","0.0014","90","","106.78","0.008","90","","2738.3","0.6","173","","173","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C24 H46 Fe N3 P2 -","- C24 H46 Fe N3 P2 -","- C96 H184 Fe4 N12 P8 -","4","1","","Sekiguchi, Yoshiya; Kuriyama, Shogo; Eizawa, Aya; Arashiba, Kazuya; Nakajima, Kazunari; Nishibayashi, Yoshiaki","Synthesis and reactivity of iron‒dinitrogen complexes bearing anionic methyl- and phenyl-substituted pyrrole-based PNP-type pincer ligands toward catalytic nitrogen fixation","Chem. Commun.","2017","","","","","10.1039/C7CC06987A","","","0.71075","MoKα","","0.1585","0.118","","","0.2636","0.2874","","","","","","0.999","","","","has coordinates","202035","2020-10-21","18:00:00",""
"7120792","13.1139","0.0015","19.901","0.002","11.5419","0.0014","90","","115.595","0.008","90","","2716.6","0.6","173","","173","","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C24 H47 Fe N P2 -","- C24 H47 Fe N P2 -","- C96 H188 Fe4 N4 P8 -","4","0.5","","Sekiguchi, Yoshiya; Kuriyama, Shogo; Eizawa, Aya; Arashiba, Kazuya; Nakajima, Kazunari; Nishibayashi, Yoshiaki","Synthesis and reactivity of iron‒dinitrogen complexes bearing anionic methyl- and phenyl-substituted pyrrole-based PNP-type pincer ligands toward catalytic nitrogen fixation","Chem. Commun.","2017","","","","","10.1039/C7CC06987A","","","0.71075","MoKα","","0.1274","0.0832","","","0.13","0.1466","","","","","","1","","","","has coordinates","202035","2020-10-21","18:00:00",""
"7120793","11.099","0.002","10.352","0.002","17.468","0.004","90","","91.518","0.004","90","","2006.3","0.7","100","2","100","2","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C22 H37 Co F18 N8 Sb3 -","- C18 H31 Co F18 N6 Sb3 -","- C36 H62 Co2 F36 N12 Sb6 -","2","1","","Corona, Teresa; Padamati, Sandeep K.; Acuña-Parés, Ferran; Duboc, Carole; Browne, Wesley R.; Company, Anna","Trapping of superoxido cobalt and peroxido dicobalt species formed reversibly from CoII and O2","Chem. Commun.","2017","","","","","10.1039/C7CC05904C","","","0.71073","MoKα","","0.055","0.0495","","","0.1265","0.1315","","","","","","1.043","","","","has coordinates,has disorder","202036","2020-10-21","18:00:00",""
"7120794","10.2021","0.0013","13.5171","0.0016","22.158","0.002","97.286","0.007","92.829","0.007","104.793","0.007","2919.9","0.6","105","2","105","2","","","","","","","","4","P -1","-P 1","2","","","","- C66 H77 N4 O12 -","- C66 H72 N4 O12 -","- C132 H144 N8 O24 -","2","1","","Nişanci, Bilal; Sahinoglu, Sinem; Tuner, Esra; Arık, Mustafa; Kani, İbrahim; DASTAN, ARIF; Bozdemir, Özgür Altan","Synthesis of a Bodipy [2]Catenane using the Chemistry of Bis(dipyrrinato)metal Complexes","Chem. Commun.","2017","","","","","10.1039/C7CC07021G","","","0.71073","MoKα","","0.2471","0.0711","","","0.1703","0.2199","","","","","","1.043","","","","has coordinates","206958","2020-10-21","18:00:00",""
"7120795","18.408","0.01","18.785","0.011","19.624","0.008","100.94","0.05","107.83","0.05","106.54","0.04","5901","6","108","2","108","2","","","","","","","","5","P -1","-P 1","2","","","","- C66 H70 N4 O12 Zn -","- C66 H70 N4 O12 Zn -","- C264 H280 N16 O48 Zn4 -","4","2","","Nişanci, Bilal; Sahinoglu, Sinem; Tuner, Esra; Arık, Mustafa; Kani, İbrahim; DASTAN, ARIF; Bozdemir, Özgür Altan","Synthesis of a Bodipy [2]Catenane using the Chemistry of Bis(dipyrrinato)metal Complexes","Chem. Commun.","2017","","","","","10.1039/C7CC07021G","","","0.71073","MoKα","","0.3462","0.184","","","0.3056","0.3937","","","","","","1.146","","","","has coordinates","206489","2020-10-21","18:00:00",""
"7120796","14.9705","0.0005","26.3806","0.0007","14.5006","0.0004","90","","106.603","0.003","90","","5488","0.3","293","2","293","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C68 H72 N0 O8 -","- C68 H72 O8 -","- C272 H288 O32 -","4","1","","Dai, Lu; Ding, Zhi-Jun; Cui, Lei; Li, Jian; Jia, Xueshun; Li, Chunju","2,2’-Biphen[n]arenes (n = 4‒8): one-step, high-yield synthesis and host‒guest properties","Chem. Commun.","2017","","","","","10.1039/C7CC06767D","","","1.54184","CuKα","","0.1248","0.0947","","","0.2403","0.262","","","","","","1.049","","","","has coordinates","202038","2020-10-21","18:00:00",""
"7120797","6.4466","0.0013","13.706","0.003","14.92","0.003","73.16","0.03","87.55","0.03","89.48","0.03","1260.6","0.5","293","2","293","2","","","","","","","","6","P 1","P 1","1","","","","- C21 H34 B N O4 S2 -","- C21 H34 B N O4 S2 -","- C42 H68 B2 N2 O8 S4 -","2","2","","Yang, Chun-Hua; Yang, Zhantao; Chen, Shiqi; Chen, Xixi; Zhang, Litian; Ren, Huijun","Catalyst Free Annulative Thioboration of Unfunctionalized Olefins","Chem. Commun.","2017","","","","","10.1039/C7CC06800J","","","0.71073","MoKα","","0.1566","0.0763","","","0.2019","0.2755","","","","","","0.891","","","","has coordinates","202084","2020-10-21","18:00:00",""
"7120798","9.4903","0.0001","24.09","0.0003","14.2494","0.0002","90","","104.285","0.0007","90","","3156.99","0.07","100","2","100","2","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C22 H26 Cs Gd K2 N6 O18 -","- C22 H15 Cs Gd K2 N6 O18 -","- C88 H60 Cs4 Gd4 K8 N24 O72 -","4","1","","Monteiro, J. H. S. K.; Machado, D.; de Hollanda, L. M.; Lancellotti, M.; Sigoli, F. A.; de Bettencourt-Dias, A.","Selective cytotoxicity and luminescence imaging of cancer cells with a dipicolinato-based EuIII complex","Chem. Commun.","2017","","","","","10.1039/C7CC06753D","","","0.71073","MoKα","","0.1247","0.0806","","","0.228","0.2569","","","","","","1.051","","","","has coordinates,has disorder","202085","2020-10-21","18:00:00",""
"7120799","9.5125","0.0002","24.0522","0.0006","14.1809","0.0003","90","","104.649","0.0015","90","","3139.07","0.12","101","2","101","2","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C22 H26 Cs Eu N6 Na2 O18 -","- C22 H15 Cs Eu N6 Na2 O18 -","- C88 H60 Cs4 Eu4 N24 Na8 O72 -","4","1","","Monteiro, J. H. S. K.; Machado, D.; de Hollanda, L. M.; Lancellotti, M.; Sigoli, F. A.; de Bettencourt-Dias, A.","Selective cytotoxicity and luminescence imaging of cancer cells with a dipicolinato-based EuIII complex","Chem. Commun.","2017","","","","","10.1039/C7CC06753D","","","0.71073","MoKα","","0.14","0.0709","","","0.1501","0.1793","","","","","","1.03","","","","has coordinates","202085","2020-10-21","18:00:00",""
"7120800","16.72","0.007","9.987","0.004","8.832","0.004","90","","90.306","0.009","90","","1474.8","1.1","296","","296","","","","","","","","","4","C 1 2 1","C 2y","5","","1-(((1R, 2R)-2-(tert-butoxy)cyclopropyl)sulfonyl)-4-methylbenzene","","- C14 H20 O3 S -","- C14 H20 O3 S -","- C56 H80 O12 S4 -","4","1","","Kotozaki, Manato; Chanthamath, Soda; Fujisawa, Ikuhide; Shibatomi, Kazutaka; Iwasa, Seiji","Highly Stereoselective Cyclopropanation of Various Olefins with Diazosulfones Catalyzed by Ru(II)‒Pheox Complexes","Chem. Commun.","2017","","","","","10.1039/C7CC05951E","","","0.71069","MoKα","","0.0581","0.0467","","","0.1275","0.1375","","","","","","1.031","","","","has coordinates","202138","2020-10-21","18:00:00",""
"7120801","12.0693","0.0008","12.9179","0.0009","18.821","0.0013","79.289","0.003","83.831","0.004","65.484","0.003","2621.8","0.3","100","2","100","2","","","","","","","","7","P -1","-P 1","2","","complex 4","","- C50 H67 F6 N3 O7 S2 W -","- C50 H67 F6 N3 O7 S2 W -","- C100 H134 F12 N6 O14 S4 W2 -","2","1","","Imbrich, Dominik; Frey, Wolfgang; Buchmeiser, Michael R.","N-Heterocyclic Carbene-Induced Transmethylation in Tungsten Imido Alkylidene Bistriflates: Unexpected Formation of an N-Heterocyclic Olefin Complex","Chem. Commun.","2017","","","","","10.1039/C7CC07471A","","","0.71073","MoKα","","0.0384","0.0255","","","0.0521","0.0566","","","","","","1.043","","","","has coordinates,has disorder","202139","2020-10-21","18:00:00",""
"7120802","16.2173","0.0008","17.5402","0.0009","17.1966","0.0009","90","","109.557","0.002","90","","4609.4","0.4","130","2","130","2","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","complex 2","","- C47 H62 F3 N3 O5 S W -","- C47 H62 F3 N3 O5 S W -","- C188 H248 F12 N12 O20 S4 W4 -","4","1","","Imbrich, Dominik; Frey, Wolfgang; Buchmeiser, Michael R.","N-Heterocyclic Carbene-Induced Transmethylation in Tungsten Imido Alkylidene Bistriflates: Unexpected Formation of an N-Heterocyclic Olefin Complex","Chem. Commun.","2017","","","","","10.1039/C7CC07471A","","","0.71073","MoKα","","0.0631","0.0447","","","0.1046","0.1112","","","","","","1.04","","","","has coordinates","202139","2020-10-21","18:00:00",""
"7120803","10.596","0.003","10.814","0.002","23.235","0.006","90","","90.907","0.007","90","","2662.1","1.1","100","2","100","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","compound 3","","- C23 H29 F3 N2 O3 S -","- C23 H29 F3 N2 O3 S -","- C92 H116 F12 N8 O12 S4 -","4","1","","Imbrich, Dominik; Frey, Wolfgang; Buchmeiser, Michael R.","N-Heterocyclic Carbene-Induced Transmethylation in Tungsten Imido Alkylidene Bistriflates: Unexpected Formation of an N-Heterocyclic Olefin Complex","Chem. Commun.","2017","","","","","10.1039/C7CC07471A","","","0.71073","MoKα","","0.1828","0.0983","","","0.1981","0.2239","","","","","","1.042","","","","has coordinates,has disorder","202139","2020-10-21","18:00:00",""
"7120804","11.6954","0.0011","16.0357","0.0014","18.034","0.0013","90","","92.943","0.002","90","","3377.7","0.5","130","2","130","2","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","compound 5","","- C31 H45 Cl2 F3 N2 O3 S -","- C31 H45 Cl2 F3 N2 O3 S -","- C124 H180 Cl8 F12 N8 O12 S4 -","4","1","","Imbrich, Dominik; Frey, Wolfgang; Buchmeiser, Michael R.","N-Heterocyclic Carbene-Induced Transmethylation in Tungsten Imido Alkylidene Bistriflates: Unexpected Formation of an N-Heterocyclic Olefin Complex","Chem. Commun.","2017","","","","","10.1039/C7CC07471A","","","0.71073","MoKα","","0.1161","0.0575","","","0.1242","0.1379","","","","","","1.04","","","","has coordinates","202139","2020-10-21","18:00:00",""
"7120805","7.528","0.003","9.407","0.003","15.201","0.005","92.924","0.005","101.019","0.005","110.77","0.005","979.6","0.6","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","KC-695","","- C26 H20 Cl N O2 -","- C26 H20 Cl N O2 -","- C52 H40 Cl2 N2 O4 -","2","1","","Chinthapally, Kiran; Massaro, Nicholas P.; Padgett, Haylee L.; Sharma, Indrajeet","A Serendipitous Cascade of Rhodium Vinylcarbenoids with Aminochalcones for the Synthesis of Functionalized Quinolines","Chem. Commun.","2017","","","","","10.1039/C7CC07181G","","","0.71073","MoKα","","0.0867","0.0623","","","0.1419","0.1543","","","","","","0.997","","","","has coordinates","202164","2020-10-21","18:00:00",""
"7120806","8.1448","0.0013","10.1417","0.0016","12.1318","0.0019","107.878","0.003","104.781","0.003","99.492","0.003","889.4","0.2","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","ethyl 2-(4-chlorophenyl)-3-methyl-2,3-dihydro-1H-cyclopenta[c]quinoline-4-carboxylate","","- C22 H20 Cl N O2 -","- C22 H20 Cl N O2 -","- C44 H40 Cl2 N2 O4 -","2","1","","Chinthapally, Kiran; Massaro, Nicholas P.; Padgett, Haylee L.; Sharma, Indrajeet","A Serendipitous Cascade of Rhodium Vinylcarbenoids with Aminochalcones for the Synthesis of Functionalized Quinolines","Chem. Commun.","2017","","","","","10.1039/C7CC07181G","","","0.71073","MoKα","","0.0731","0.0472","","","0.1271","0.1446","","","","","","1.001","","","","has coordinates","202164","2020-10-21","18:00:00",""
"7120807","28.261","0.006","36.059","0.007","21.798","0.004","90","0.03","117.95","0.03","90","0.03","19622","9","100","2","100","2","","","","","","","","5","C 1 2 1","C 2y","5","PgC4, Pro, DMF, Mg","C-butylpyrogallol[4]arene, proline, dimethylformamide, magnesium","","- C306 H342 Mg24 N10 O116 -","- C306 H342 Mg24 N10 O116 -","- C612 H684 Mg48 N20 O232 -","2","0.5","","Zhang, Chen; Patil, Rahul S.; Barnes, Charles L.; Atwood, Jerry L.","Novel Magnesium-Seamed Organic Nanocapsules with Hierarchical Structural Complexity","Chem. Commun.","2017","","","","","10.1039/C7CC07390A","","","1.54184","CuKα","","0.1267","0.1211","","","0.3467","0.3625","","","","","","1.777","","","","has coordinates,has disorder","202238","2020-10-21","18:00:00",""
"7120808","28.8873","0.0012","35.5602","0.0013","21.8751","0.0009","90","","118.99","0.002","90","","19655.4","1.4","100","2","100","2","","","","","","","","5","C 1 2 1","C 2y","5","PgC3OH, Pro, DMF, Mg","C-propan-3-ol pyrogallol[4]arene, Proline, dimethylformamide, magnesium","","- C276 H258 Mg24 N8 O140 -","- C276 H258 Mg24 N8 O140 -","- C552 H516 Mg48 N16 O280 -","2","0.5","","Zhang, Chen; Patil, Rahul S.; Barnes, Charles L.; Atwood, Jerry L.","Novel Magnesium-Seamed Organic Nanocapsules with Hierarchical Structural Complexity","Chem. Commun.","2017","","","","","10.1039/C7CC07390A","","","1.54178","CuKα","","0.1393","0.1147","","","0.3166","0.3569","","","","","","1.478","","","","has coordinates","202238","2020-10-21","18:00:00",""
"7120809","28.6297","0.0008","35.3408","0.001","21.545","0.0006","90","","119.007","0.002","90","","19064.7","1","100","2","100","2","","","","","","","","5","C 1 2 1","C 2y","5","PgC3, Pro, DMF, Mg","C-propylpyrogallol[4]arene, proline, dimethylformamide, magnesium","","- C276 H282 Mg24 N8 O116 -","- C276 H282 Mg24 N8 O116 -","- C552 H564 Mg48 N16 O232 -","2","0.5","","Zhang, Chen; Patil, Rahul S.; Barnes, Charles L.; Atwood, Jerry L.","Novel Magnesium-Seamed Organic Nanocapsules with Hierarchical Structural Complexity","Chem. Commun.","2017","","","","","10.1039/C7CC07390A","","","1.54178","CuKα","","0.1164","0.0867","","","0.2418","0.2736","","","","","","1.027","","","","has coordinates","202238","2020-10-21","18:00:00",""
"7120810","13.2896","0.0008","5.593","0.0003","16.4363","0.0009","90","","108.323","0.006","90","","1159.75","0.12","293","2","293.15","","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","","","- C13 H10 N4 -","- C13 H10 N4 -","- C52 H40 N16 -","4","1","","Ma, Lulu; Yuan, Zexing; Huang, Zhenguo; Jin, Jingyi; Cao, Duxia; Guan, Ruifang; Chen, Qifeng; sun, xuan","Reversible Regulating of Crystal Structures Based on Isomerization of Phenylhydrazones","Chem. Commun.","2017","","","","","10.1039/C7CC06374A","","x-ray","1.54184","CuKα","","0.0463","0.0389","","","0.1115","0.12","","","","","","1.04","","","","has coordinates","202257","2020-10-21","18:00:00",""
"7120811","22.881","0.002","15.2104","0.0008","7.5406","0.0007","90","","90","","90","","2624.3","0.4","293","2","293.15","","","","","","","","","3","P c c n","-P 2ab 2ac","56","","","","- C13 H10 N4 -","- C13 H10 N4 -","- C104 H80 N32 -","8","1","","Ma, Lulu; Yuan, Zexing; Huang, Zhenguo; Jin, Jingyi; Cao, Duxia; Guan, Ruifang; Chen, Qifeng; sun, xuan","Reversible Regulating of Crystal Structures Based on Isomerization of Phenylhydrazones","Chem. Commun.","2017","","","","","10.1039/C7CC06374A","","x-ray","0.71073","MoKα","","0.1203","0.0608","","","0.1606","0.2073","","","","","","0.993","","","","has coordinates","202257","2020-10-21","18:00:00",""
"7120812","6.516","0.0008","14.1444","0.0019","20.123","0.002","90","","90","","90","","1854.6","0.4","103","0.2","103","0.2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C26 H22 N4 -","- C26 H22 N4 -","- C104 H88 N16 -","4","1","","Ono, Toshikazu; Koga, Daiki; Yoza, Kenji; Hisaeda, Yoshio","First synthesis of meso-dicycloalkylporphycenes: ring strain effects on structural and optical properties of isomeric porphyrins","Chem. Commun.","2017","","","","","10.1039/C7CC07170A","","","0.71073","MoKα","","0.0873","0.0608","","","0.118","0.1271","","","","","","1.11","","","","has coordinates","202285","2020-10-21","18:00:00",""
"7120813","4.8312","0.0012","9.604","0.002","11.229","0.003","82.626","0.004","81.11","0.004","80.418","0.004","504.7","0.2","100","2","100","2","","","","","","","","3","P -1","-P 1","2","","","","- C28 H26 N4 -","- C28 H26 N4 -","- C28 H26 N4 -","1","0.5","","Ono, Toshikazu; Koga, Daiki; Yoza, Kenji; Hisaeda, Yoshio","First synthesis of meso-dicycloalkylporphycenes: ring strain effects on structural and optical properties of isomeric porphyrins","Chem. Commun.","2017","","","","","10.1039/C7CC07170A","","","0.71073","MoKα","","0.0705","0.0517","","","0.1292","0.1514","","","","","","1.177","","","","has coordinates","202285","2020-10-21","18:00:00",""
"7120814","8.9337","0.0002","10.943","0.0004","13.0698","0.0004","92.791","0.003","97.221","0.002","94.987","0.002","1260.49","0.07","291","2","291","2","","","","","","","","3","P -1","-P 1","2","","","","- C33 H33 N -","- C33 H33 N -","- C66 H66 N2 -","2","1","","Wang, Rui; Jin, Ruoxing; Qin, Zi-Yang; Bian, Kang-Jie; Wang, Xi-Sheng","Novel and Facile Synthesis of 1-Benzazepines via Copper-Catalyzed Oxidative C(sp3)-H/C(sp2)-H Cross-Coupling","Chem. Commun.","2017","","","","","10.1039/C7CC07027F","","","1.54184","CuKα","","0.0529","0.0473","","","0.1308","0.1369","","","","","","1.052","","","","has coordinates","202286","2020-10-21","18:00:00",""
"7120815","24.1093","0.0006","34.2098","0.0008","23.7848","0.0007","90","","90","","90","","19617.1","0.9","110","2","109.96","","","","","","","","","7","P 2 2 21","P 2c 2","17","","","","- C136 H150 Cd2 Fe2 N12 O18.48 V2 -","- C136 H150 Cd2 Fe2 N12 O18.483 V2 -","- C544 H600 Cd8 Fe8 N48 O73.932 V8 -","4","1","","Li, Zijian; Liu, Yan; Xia, Qingchun; Cui, Yong","Chiral binary metal-organic frameworks for asymmetric sequential reactions","Chem. Commun.","2017","","","","","10.1039/C7CC06979K","","","1.54178","CuKα","","0.1103","0.0794","","","0.215","0.2432","","","","","","1.004","","","","has coordinates,has disorder","202287","2020-10-21","18:00:00",""
"7120816","34.757","0.001","17.7053","0.0005","23.9558","0.0006","90","","90","","90","","14742","0.7","100","2","100.01","","","","","","","","","7","P 21 21 2","P 2 2ab","18","","","","- C106 H118 Cd2 Mn2 N12 O18.71 V -","- C106 H118 Cd2 Mn2 N12 O18.7065 V -","- C424 H472 Cd8 Mn8 N48 O74.826 V4 -","4","1","","Li, Zijian; Liu, Yan; Xia, Qingchun; Cui, Yong","Chiral binary metal-organic frameworks for asymmetric sequential reactions","Chem. Commun.","2017","","","","","10.1039/C7CC06979K","","","1.54178","CuKα","","0.0715","0.0639","","","0.1649","0.1712","","","","","","1.045","","","","has coordinates,has disorder","202287","2020-10-21","18:00:00",""
"7120817","20.9788","0.0008","13.1934","0.0004","22.3687","0.0007","90","","104.357","0.004","90","","5997.9","0.4","100","2","100","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","3","3","","- C59 H104 N2 Si4 Ti2 -","- C59 H104 N2 Si4 Ti2 -","- C236 H416 N8 Si16 Ti8 -","4","1","","Tsoureas, Nikolaos; Green, Jennifer; Cloke, Frederick Geoffrey","C-H and H-H Activation at a Di-titanium Centre","Chem. Commun.","2017","","","","","10.1039/C7CC07726B","","","0.71075","MoKα","","0.1258","0.061","","","0.1218","0.1448","","","","","","1.001","","","","has coordinates,has disorder","202334","2020-10-21","18:00:00",""
"7120818","20.8577","0.0016","13.6285","0.0009","22.1312","0.0018","90","","101.284","0.009","90","","6169.4","0.8","173","2","173","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","4_Mo","","- C59 H106 N2 Si4 Ti2 -","- C59 H106 N2 Si4 Ti2 -","- C236 H424 N8 Si16 Ti8 -","4","1","","Tsoureas, Nikolaos; Green, Jennifer; Cloke, Frederick Geoffrey","C-H and H-H Activation at a Di-titanium Centre","Chem. Commun.","2017","","","","","10.1039/C7CC07726B","","","0.71073","MoKα","","0.2081","0.0911","","","0.144","0.192","","","","","","0.99","","","","has coordinates,has disorder","202334","2020-10-21","18:00:00",""
"7120819","20.8365","0.0008","13.6281","0.0008","22.1659","0.0012","90","","101.286","0.004","90","","6172.6","0.6","173","2","173","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","4_Cu","","- C59 H106 N2 Si4 Ti2 -","- C59 H106 N2 Si4 Ti2 -","- C236 H424 N8 Si16 Ti8 -","4","1","","Tsoureas, Nikolaos; Green, Jennifer; Cloke, Frederick Geoffrey","C-H and H-H Activation at a Di-titanium Centre","Chem. Commun.","2017","","","","","10.1039/C7CC07726B","","","1.54184","CuKα","","0.088","0.059","","","0.1442","0.1644","","","","","","1.03","","","","has coordinates,has disorder","202334","2020-10-21","18:00:00",""
"7120820","11.8344","0.0004","12.2694","0.0004","15.7797","0.0005","92.1118","0.001","103.953","0.0011","93.123","0.001","2217.36","0.13","100","2","100","2","","","","","","","","6","P -1","-P 1","2","","","","- C10.75 H17.25 B0.5 Li0.25 N0.5 O2.75 -","- C10.75 H17.25 B0.5 Li0.25 N0.5 O2.75 -","- C86 H138 B4 Li2 N4 O22 -","8","4","","Wu, Di; Li, Yongxin; Ganguly, Rakesh; Kinjo, Rei","Snapshot of Inorganic Janovsky Complex Analogues featuring a Nucleophilic Boron Center","Chem. Commun.","2017","","","","","10.1039/C7CC07616A","","","0.71073","MoKα","","0.0966","0.0635","","","0.1416","0.1598","","","","","","1.032","","","","has coordinates,has disorder","202335","2020-10-21","18:00:00",""
"7120821","17.0101","0.0004","17.8543","0.0005","28.3178","0.0007","79.6457","0.0017","87.6737","0.0015","88.4679","0.0017","8451.5","0.4","103","2","103","2","","","","","","","","6","P -1","-P 1","2","","","","- C44 H63 B2 Li N2 O6 -","- C44 H63 B2 Li N2 O6 -","- C352 H504 B16 Li8 N16 O48 -","8","4","","Wu, Di; Li, Yongxin; Ganguly, Rakesh; Kinjo, Rei","Snapshot of Inorganic Janovsky Complex Analogues featuring a Nucleophilic Boron Center","Chem. Commun.","2017","","","","","10.1039/C7CC07616A","","","1.54178","CuKα","","0.1391","0.0956","","","0.2395","0.2796","","","","","","1.022","","","","has coordinates,has disorder","202335","2020-10-21","18:00:00",""
"7120822","12.1544","0.0003","23.3935","0.0006","17.8383","0.0005","90","","96.1514","0.001","90","","5042.8","0.2","100","2","100","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C52 H75 B2 Li N2 O11.5 -","- C52 H75 B2 Li N2 O11.5 -","- C208 H300 B8 Li4 N8 O46 -","4","1","","Wu, Di; Li, Yongxin; Ganguly, Rakesh; Kinjo, Rei","Snapshot of Inorganic Janovsky Complex Analogues featuring a Nucleophilic Boron Center","Chem. Commun.","2017","","","","","10.1039/C7CC07616A","","","0.71073","MoKα","","0.0924","0.0596","","","0.1425","0.1644","","","","","","1.018","","","","has coordinates,has disorder","202335","2020-10-21","18:00:00",""
"7120823","11.7547","0.0003","28.7561","0.0008","15.7165","0.0004","90","","108.077","0.0012","90","","5050.3","0.2","100","2","100","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C50 H79 B2 Li N4 O12 -","- C50 H79 B2 Li N4 O12 -","- C200 H316 B8 Li4 N16 O48 -","4","1","","Wu, Di; Li, Yongxin; Ganguly, Rakesh; Kinjo, Rei","Snapshot of Inorganic Janovsky Complex Analogues featuring a Nucleophilic Boron Center","Chem. Commun.","2017","","","","","10.1039/C7CC07616A","","","0.71073","MoKα","","0.0851","0.0725","","","0.1552","0.1614","","","","","","1.191","","","","has coordinates,has disorder","202335","2020-10-21","18:00:00",""
"7120824","21.6138","0.0007","11.4783","0.0003","18.9214","0.0005","90","","114.527","0.001","90","","4270.6","0.2","100","2","100","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C46 H64 Au B2 N2 O2 P -","- C46 H64 Au B2 N2 O2 P -","- C184 H256 Au4 B8 N8 O8 P4 -","4","1","","Wu, Di; Li, Yongxin; Ganguly, Rakesh; Kinjo, Rei","Snapshot of Inorganic Janovsky Complex Analogues featuring a Nucleophilic Boron Center","Chem. Commun.","2017","","","","","10.1039/C7CC07616A","","","0.71073","MoKα","","0.0477","0.0379","","","0.0782","0.0819","","","","","","1.182","","","","has coordinates,has disorder","202335","2020-10-21","18:00:00",""
"7120825","13.8934","0.0005","14.2385","0.0004","16.4845","0.0005","107.9","0.0009","98.7434","0.0011","106.716","0.0009","2866.72","0.16","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","","","- C32.5 H38 B2 N2 O2 -","- C32.5 H38 B2 N2 O2 -","- C130 H152 B8 N8 O8 -","4","2","","Wu, Di; Li, Yongxin; Ganguly, Rakesh; Kinjo, Rei","Snapshot of Inorganic Janovsky Complex Analogues featuring a Nucleophilic Boron Center","Chem. Commun.","2017","","","","","10.1039/C7CC07616A","","","0.71073","MoKα","","0.1122","0.0724","","","0.1207","0.1369","","","","","","1.115","","","","has coordinates","202335","2020-10-21","18:00:00",""
"7120826","15.5714","0.0013","17.6017","0.0014","28.163","0.002","90","","90","","90","","7719","1","120","2","119.99","","","","","","","","","6","P n n a","-P 2a 2bc","52","","","","- C39 H26 Cl2 Co N6 O4 -","- C39 H26 Cl2 Co N6 O4 -","- C312 H208 Cl16 Co8 N48 O32 -","8","1","","Gunnlaugsson, Thorfinnur; Shanmugaraju, Sankarasekaran; Hawes, Chris Samuel; Savyasachi, A. J.; Blasco, Salvador; Kitchen, Jonathan A.","Supramolecular coordination polymers using a close to ‘V-shaped’ fluorescent 4-amino-1,8-naphthalimide Tröger’s base scaffold","Chem. Commun.","2017","","","","","10.1039/C7CC07333J","","","1.54178","CuKα","","0.1352","0.0862","","","0.258","0.3083","","","","","","1.045","","","","has coordinates,has disorder","202336","2020-10-21","18:00:00",""
"7120827","17.9643","0.0008","26.5902","0.0013","19.4124","0.0008","90","","115.54","0.001","90","","8366.7","0.7","100","2","100.01","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C78 H55 Cd N14 O15.5 -","- C78 H52 Cd N14 O15.5 -","- C312 H208 Cd4 N56 O62 -","4","1","","Gunnlaugsson, Thorfinnur; Shanmugaraju, Sankarasekaran; Hawes, Chris Samuel; Savyasachi, A. J.; Blasco, Salvador; Kitchen, Jonathan A.","Supramolecular coordination polymers using a close to ‘V-shaped’ fluorescent 4-amino-1,8-naphthalimide Tröger’s base scaffold","Chem. Commun.","2017","","","","","10.1039/C7CC07333J","","","0.71073","MoKα","","0.1624","0.0698","","","0.1757","0.2214","","","","","","0.992","","","","has coordinates,has disorder","202336","2020-10-21","18:00:00",""
"7120828","6.3645","0.0005","14.4689","0.0012","15.7267","0.0012","90","","99.228","0.003","90","","1429.5","0.2","173","2","173","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C17 H15 N O4 -","- C17 H15 N O4 -","- C68 H60 N4 O16 -","4","1","","Ni, Meiyan; Zhang, Jianguo; Liang, Xiaoyu; Jiang, Yaojia; Loh, Teck Peng","Directed C-C Bond Cleavage of Cyclopropane Intermediate Generated from N-Tosylhydrazones and Stable Enaminones: Expedient Synthesis of Functionalized 1, 4‒Ketoaldehydes","Chem. Commun.","2017","","","","","10.1039/C7CC07178G","","","0.71073","MoKα","","0.104","0.0557","","","0.1201","0.1426","","","","","","1.023","","","","has coordinates,has disorder","202337","2020-10-21","18:00:00",""
"7120829","15.3761","0.0015","17.6529","0.0017","8.9032","0.0009","90","","90","","90","","2416.6","0.4","","","","","","","","","","","","7","P 21 21 2","P 2 2ab","18","","","","- C48 H40 Cl2 O4 P2 Pd2 S2 -","- C48 H40 Cl2 O4 P2 Pd2 S2 -","- C96 H80 Cl4 O8 P4 Pd4 S4 -","2","0.5","","Tu, Tao; Zhu, Haibo; Shen, Yajing; Deng, Qinyue; Chen, Jinjin","Pd(NHC)-Catalyzed Alkylsulfonylation of Boronic Acids: A General and Efficient Approach for Sulfone Synthesis","Chem. Commun.","2017","","","","","10.1039/C7CC05851A","","","","","","0.04","","","","","","","","","","","","","","","has coordinates","202338","2020-10-21","18:00:00",""
"7120830","3.9655","0.0005","19.103","0.003","5.2888","0.0009","90","","93.343","0.014","90","","399.96","0.11","293","","293","","","","","","","","","5","P 1 n 1","P -2yac","7","","","","- C8 H7 Cu O2 S -","- C8 H7 Cu O2 S -","- C16 H14 Cu2 O4 S2 -","2","1","","Veselska, Oleksandra; Podbevsek, Darjan; Ledoux, Gilles; Fateeva, Alexandra; Demessence, Aude","Intrinsic Triple-Emitting 2D Copper Thiolate Coordination Polymer as a Ratiometric Thermometer Working over 400 K Range","Chem. Commun.","2017","","","","","10.1039/C7CC06815H","","","0.71073","MoKα","","0.0898","0.0562","","0.2356","0.1306","0.142","","","","","","0.9488","","","","has coordinates","202339","2020-10-21","18:00:00",""
"7120831","12.8","0.003","7.0766","0.0013","13.621","0.003","90","","116.294","0.003","90","","1106.1","0.4","103","2","103","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C24 H22 N2 O6 S -","- C24 H22 N2 O6 S -","- C48 H44 N4 O12 S2 -","2","1","","Ohmatsu, Kohsuke; Furukawa, Yukino; Kiyokawa, Mari; Ooi, Takashi","Diastereo- and enantioselective phase-transfer alkylation of 3-substituted oxindoles with racemic secondary alkyl halides","Chem. Commun.","2017","","","","","10.1039/C7CC07122A","","","0.71075","MoKα","","0.038","0.0287","","","0.0627","0.065","","","","","","0.926","","","","has coordinates","202363","2020-10-21","18:00:00",""
"7120832","14.3713","0.0015","13.0309","0.0013","11.6849","0.0011","90","","112.04","0.003","90","","2028.3","0.4","296","2","296","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C19 H16 Br F N4 O -","- C19 H16 Br F N4 O -","- C76 H64 Br4 F4 N16 O4 -","4","1","","Wu, Shu-Wei; Liu, Jia-Li; Liu, Feng","cis-Specific cyanofluorination of vinyl azides enabled by electron-donor-acceptor complexes: synthesis of α-azido-β-fluoronitriles","Chem. Commun.","2017","","","","","10.1039/C7CC07165E","","","0.71073","MoKα","","0.0758","0.0581","","","0.2075","0.2302","","","","","","0.922","","","","has coordinates","202386","2020-10-21","18:00:00",""
"7120833","9.168","0.005","26.759","0.009","9.365","0.003","90","","108.96","0.05","90","","2172.8","1.7","293","2","293","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C21 H19 Cl2 F N4 O -","- C21 H19 Cl2 F N4 O -","- C84 H76 Cl8 F4 N16 O4 -","4","1","","Wu, Shu-Wei; Liu, Jia-Li; Liu, Feng","cis-Specific cyanofluorination of vinyl azides enabled by electron-donor-acceptor complexes: synthesis of α-azido-β-fluoronitriles","Chem. Commun.","2017","","","","","10.1039/C7CC07165E","","x-ray","0.71073","MoKα","","0.229","0.0823","","","0.193","0.28","","","","","","0.97","","","","has coordinates,has disorder","202386","2020-10-21","18:00:00",""
"7120834","13.172","0.003","6.6186","0.0008","16.673","0.003","90","","112.481","0.018","90","","1343.1","0.5","293","2","293.15","","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C29 H31 N3 O8 -","- C29 H31 N3 O8 -","- C58 H62 N6 O16 -","2","1","","Ma, Chun; Zhang, Ting; Zhou, Jia-Yu; Mei, Guang-Jian; Shi, Feng","Catalytic asymmetric chemodivergent arylative dearomatization of tryptophols","Chem. Commun.","2017","","","","","10.1039/C7CC06547G","","","1.54184","CuKα","","0.0498","0.0401","","","0.0846","0.0912","","","","","","1.113","","","","has coordinates","202387","2020-10-21","18:00:00",""
"7120835","12.406","0.0005","14.2364","0.0004","31.2334","0.0017","90","","90","","90","","5516.3","0.4","105.79","0.12","105.79","0.12","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C59 H80 N4 O3 P2 -","- C59 H80 N4 O3 P2 -","- C236 H320 N16 O12 P8 -","4","1","","Gilliard, Robert J.; Suter, Riccardo; Schrader, Erik; Benkö, Zoltan; Rheingold, Arnold L.; Grützmacher, Hansjörg; Protasiewicz, John D.","Synthesis of P2C2O2 and P2CO via NHC-Mediated Coupling of the Phosphaethynolate Anion","Chem. Commun.","2017","","","","","10.1039/C7CC07654A","","x-ray","0.71073","MoKα","","0.0961","0.079","","","0.2062","0.2221","","","","","","1.051","","","","has coordinates","202388","2020-10-21","18:00:00",""
"7120836","9.6328","0.0005","23.1916","0.0009","15.9848","0.0007","90","","97.856","0.003","90","","3537.5","0.3","100","","100","","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C33 H43 N2 O3 P2 -","- C33 H43 N2 O3 P2 -","- C132 H172 N8 O12 P8 -","4","1","","Gilliard, Robert J.; Suter, Riccardo; Schrader, Erik; Benkö, Zoltan; Rheingold, Arnold L.; Grützmacher, Hansjörg; Protasiewicz, John D.","Synthesis of P2C2O2 and P2CO via NHC-Mediated Coupling of the Phosphaethynolate Anion","Chem. Commun.","2017","","","","","10.1039/C7CC07654A","","","0.71073","MoKα","","0.0788","0.0658","","","0.1757","0.189","","","","","","1.052","","","","has coordinates","202388","2020-10-21","18:00:00",""
"7120837","4.3093","0.0008","10.586","0.002","12.335","0.002","103.012","0.002","97.348","0.002","94.651","0.002","540.22","0.17","296","2","296","2","","","","","","","","6","P -1","-P 1","2","","","","- C5 H6 Br3 N O Pb -","- C5 H6 Br3 N O Pb -","- C10 H12 Br6 N2 O2 Pb2 -","2","1","","Liu, Guangfeng; Gu, Peiyang; NIE, Lina; zhang, qichun","Simultaneous Crystallization of in situ Formed Conjugated Polymer and Inorganic Matrix for Structure Solving","Chem. Commun.","2017","","","","","10.1039/C7CC06620A","","","0.71073","MoKα","","0.045","0.0368","","","0.1","0.1044","","","","","","1.081","","","","has coordinates","202433","2020-10-21","18:00:00",""
"7120838","47.7482","0.0016","4.3456","0.0001","12.0277","0.0004","90","","96.628","0.003","90","","2479","0.13","80","2","80","2","","","","","","","","4","C 1 2/m 1","-C 2y","12","","","","- C15 Br20 N3 Pb9 -","- C15 Br20 N3 Pb9 -","- C30 Br40 N6 Pb18 -","2","0.25","","Liu, Guangfeng; Gu, Peiyang; NIE, Lina; zhang, qichun","Simultaneous Crystallization of in situ Formed Conjugated Polymer and Inorganic Matrix for Structure Solving","Chem. Commun.","2017","","","","","10.1039/C7CC06620A","","","0.71073","MoKα","","0.022","0.0204","","","0.045","0.0455","","","","","","1.178","","","","has coordinates","202434","2020-10-21","18:00:00",""
"7120839","6.7286","0.0005","15.8258","0.0009","19.843","0.001","90","","90","","90","","2113","0.2","291.17","0.1","291.17","0.1","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C22 H21 Br N2 O3 S -","- C22 H21 Br N2 O3 S -","- C88 H84 Br4 N8 O12 S4 -","4","1","","Chen, Jin-Quan; Song, Le-Le; Li, Feng-Xing; Shi, Zi-Fa; Cao, Xiao-Ping","Asymmetric formal synthesis of (+)-cycloclavine","Chem. Commun.","2017","","","","","10.1039/C7CC08044A","","x-ray","0.71073","MoKα","","0.087","0.0465","","","0.0761","0.0912","","","","","","1.012","","","","has coordinates","202435","2020-10-21","18:00:00",""
"7120840","10.0741","0.001","7.6193","0.0015","11.4018","0.0017","90","","90.452","0.009","90","","875.1","0.2","294.7","0.2","294.7","0.2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C20 H22 N2 O3 -","- C20 H22 N2 O3 -","- C40 H44 N4 O6 -","2","1","","Chen, Jin-Quan; Song, Le-Le; Li, Feng-Xing; Shi, Zi-Fa; Cao, Xiao-Ping","Asymmetric formal synthesis of (+)-cycloclavine","Chem. Commun.","2017","","","","","10.1039/C7CC08044A","","","0.71073","MoKα","","0.1163","0.0668","","","0.1437","0.1792","","","","","","1.048","","","","has coordinates","202435","2020-10-21","18:00:00",""
"7120841","9.854","0.003","13.77","0.004","18.821","0.006","90","","90.928","0.006","90","","2553.5","1.3","223","2","223","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C28 H18 Br2 N4 O3 S -","- C28 H18 Br2 N4 O3 S -","- C112 H72 Br8 N16 O12 S4 -","4","1","","Xia, Hongguang; An, Yuanyuan; Zeng, Xincheng; Wu, Jie","Palladium-catalyzed direct sulfonylation of C-H bonds with the insertion of sulfur dioxide","Chemical Communications","2017","","","","","10.1039/C7CC07279A","","","0.71073","MoKα","","0.1317","0.0785","","","0.2129","0.2532","","","","","","0.985","","","","has coordinates","202506","2020-10-21","18:00:00",""
"7120842","5.7476","0.0007","11.287","0.0013","14.038","0.0017","76.581","0.01","85.498","0.01","83.205","0.01","878.38","0.19","291.08","0.1","291.08","0.1","","","","","","","","5","P -1","-P 1","2","","","","- C16 H9 F9 N2 O2 -","- C16 H9 F9 N2 O2 -","- C32 H18 F18 N4 O4 -","2","1","","Guo, Quanping; Wang, Mengran; Wang, Yanfang; Xu, Zhaoqing; Wang, Rui","Photoinduced, copper-catalyzed three components cyanofluoroalkylation of alkenes with fluoroalkyl iodides as fluoroalkylation reagents","Chemical Communications","2017","","","","","10.1039/C7CC07128K","","x-ray","0.71073","MoKα","","0.1501","0.0905","","","0.2296","0.2871","","","","","","1.029","","","","has coordinates,has disorder","202531","2020-10-21","18:00:00",""
"7120843","15.205","0.002","16.403","0.003","13.947","0.002","90","","102.508","0.005","90","","3395.9","0.9","90","2","90","2","","","","","","","","7","C 1 c 1","C -2yc","9","","","","- C32 H53 N Ni O2 P2 S -","- C32 H53 N Ni O2 P2 S -","- C128 H212 N4 Ni4 O8 P8 S4 -","4","1","","Desnoyer, Addison N.; Chiu, Weiling; Cheung, Candy; Patrick, Brian O.; Love, Jennifer A.","Oxaziridine cleavage with a low-valent nickel complex: competing C‒O and C‒N fragmentation from oxazanickela(ii)cyclobutanes","Chemical Communications","2017","","","","","10.1039/C7CC07690H","","x-ray","0.71073","MoKα","","0.0449","0.0361","","","0.0756","0.079","","","","","","1","","","","has coordinates","202582","2020-10-21","18:00:00",""
"7120844","11.3153","0.0015","17.65","0.002","17.536","0.002","90","","103.453","0.003","90","","3406.1","0.7","90","2","90","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C35 H61 N Ni O P2 -","- C35 H61 N Ni O P2 -","- C140 H244 N4 Ni4 O4 P8 -","4","1","","Desnoyer, Addison N.; Chiu, Weiling; Cheung, Candy; Patrick, Brian O.; Love, Jennifer A.","Oxaziridine cleavage with a low-valent nickel complex: competing C‒O and C‒N fragmentation from oxazanickela(ii)cyclobutanes","Chemical Communications","2017","","","","","10.1039/C7CC07690H","","x-ray","0.71073","MoKα","","0.0489","0.036","","","0.0854","0.0914","","","","","","1.025","","","","has coordinates","202582","2020-10-21","18:00:00",""
"7120845","15.728","0.003","20.763","0.004","16.376","0.003","90","","96.899","0.004","90","","5309","1.7","90","2","90","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C25 H46 Ni O P2 -","- C25 H46 Ni O P2 -","- C200 H368 Ni8 O8 P16 -","8","2","","Desnoyer, Addison N.; Chiu, Weiling; Cheung, Candy; Patrick, Brian O.; Love, Jennifer A.","Oxaziridine cleavage with a low-valent nickel complex: competing C‒O and C‒N fragmentation from oxazanickela(ii)cyclobutanes","Chemical Communications","2017","","","","","10.1039/C7CC07690H","","x-ray","0.71073","MoKα","","0.0464","0.033","","","0.0799","0.0863","","","","","","1.012","","","","has coordinates","202582","2020-10-21","18:00:00",""
"7120846","11.1373","0.0001","24.0612","0.0002","11.2256","0.0001","90","","112.945","0.001","90","","2770.19","0.05","296","2","296","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C30 H34 N2 O6 -","- C30 H34 N2 O6 -","- C120 H136 N8 O24 -","4","1","","Xu, Hui; Liu, Hong-Wei; Lin, Hao-Sheng; Wang, Guan-Wu","Solvent-free iodine-promoted synthesis of 3,2′-pyrrolinyl spirooxindoles from alkylidene oxindoles and enamino esters under ball-milling conditions","Chemical Communications","2017","","","","","10.1039/C7CC08306H","","","1.54184","CuKα","","0.0486","0.046","","","0.1244","0.1273","","","","","","1.045","","","","has coordinates,has disorder","202583","2020-10-21","18:00:00",""
"7120847","11.04739","0.00018","12.2038","0.0002","10.96322","0.00018","90","","91.7913","0.0016","90","","1477.34","0.04","120.01","0.19","120.01","0.19","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","tert-Butyl N-{[(4aR*,8aR*)-octahydropyrano[4,3-b]pyran-4a-yl]methyl}carbamate","","- C14 H25 N O4 -","- C14 H25 N O4 -","- C56 H100 N4 O16 -","4","1","","Mayol-Llinàs, Joan; Farnaby, William; Nelson, Adam","Modular synthesis of thirty lead-like scaffolds suitable for CNS drug discovery","Chemical Communications","2017","","","","","10.1039/C7CC06078E","","x-ray","1.54184","CuKα","","0.0435","0.0374","","","0.088","0.0918","","","","","","1.052","","","","has coordinates","202584","2020-10-21","18:00:00",""
"7120848","6.7483","0.0005","9.9314","0.0007","11.0967","0.0008","63.764","0.007","79.148","0.006","74.8","0.006","641.5","0.09","119.97","0.16","119.97","0.16","","","","","","","","4","P -1","-P 1","2","","(4aR*,9bS*)-8-Methoxy-4a-(prop-2-en-1-yl)-2H,3H,4H,4aH,5H,9bH-indeno[2,1-e][1,3] oxazin-2-one","","- C15 H17 N O3 -","- C15 H17 N O3 -","- C30 H34 N2 O6 -","2","1","","Mayol-Llinàs, Joan; Farnaby, William; Nelson, Adam","Modular synthesis of thirty lead-like scaffolds suitable for CNS drug discovery","Chemical Communications","2017","","","","","10.1039/C7CC06078E","","x-ray","1.54184","CuKα","","0.045","0.0379","","","0.0941","0.0996","","","","","","1.028","","","","has coordinates","202584","2020-10-21","18:00:00",""
"7120849","7.658","0.0001","9.5316","0.0001","12.1849","0.0002","90","","94.805","0.001","90","","886.29","0.02","120.01","0.1","120.01","0.1","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","(4aR*,7aS*)-4a-(Prop-2-en-1-yl)-hexahydro-2H-furo[3,4-e][1,3]oxazin-2-one","","- C9 H13 N O3 -","- C9 H13 N O3 -","- C36 H52 N4 O12 -","4","1","","Mayol-Llinàs, Joan; Farnaby, William; Nelson, Adam","Modular synthesis of thirty lead-like scaffolds suitable for CNS drug discovery","Chemical Communications","2017","","","","","10.1039/C7CC06078E","","x-ray","1.54184","CuKα","","0.0339","0.0315","","","0.0799","0.0817","","","","","","1.072","","","","has coordinates","202584","2020-10-21","18:00:00",""
"7120850","17.0954","0.0009","17.1816","0.0004","17.3736","0.0007","93.458","0.003","105.795","0.004","104.49","0.003","4708.8","0.4","173","2","173","2","","","","","","","","4","P -1","-P 1","2","","","","- C46 H38 O17 Si2 -","- C42 H24 O13 Si2 -","- C168 H96 O52 Si8 -","4","2","","Delmas, Luke C.; Horton, Peter N.; White, Andrew J. P.; Coles, Simon J.; Lickiss, Paul D.; Davies, Robert P.","Siloxane-based linkers in the construction of hydrogen bonded assemblies and porous 3D MOFs","Chemical Communications","2017","","","","","10.1039/C7CC06022J","","","1.54184","CuKα","","0.1164","0.0808","","","0.2206","0.275","","","","","","1.018","","","","has coordinates,has disorder","202870","2020-10-21","18:00:00",""
"7120851","12.2548","0.0009","12.8569","0.0009","14.9698","0.001","112.029","0.005","93.34","0.004","105.787","0.003","2069.7","0.3","100","2","100","2","","","","","","","","6","P -1","-P 1","2","","","","- C33 H48 N4 O15 Si Zn2 -","- C33 H44 N4 O14.998 Si Zn2 -","- C66 H88 N8 O29.996 Si2 Zn4 -","2","1","","Delmas, Luke C.; Horton, Peter N.; White, Andrew J. P.; Coles, Simon J.; Lickiss, Paul D.; Davies, Robert P.","Siloxane-based linkers in the construction of hydrogen bonded assemblies and porous 3D MOFs","Chemical Communications","2017","","","","","10.1039/C7CC06022J","","","0.71075","MoKα","","0.0668","0.0606","","","0.1758","0.1826","","","","","","1.022","","","","has coordinates,has disorder","202870","2020-10-21","18:00:00",""
"7120852","13.2462","0.0005","27.7134","0.001","24.5341","0.0009","90","","90","","90","","9006.4","0.6","100","2","100","2","","","","","","","","6","P m c 21","P 2c -2","26","","","","- C63 H73 N7 O23 Si2 Zn3 -","- C42 H24 O16 Si2 Zn3 -","- C168 H96 O64 Si8 Zn12 -","4","1","","Delmas, Luke C.; Horton, Peter N.; White, Andrew J. P.; Coles, Simon J.; Lickiss, Paul D.; Davies, Robert P.","Siloxane-based linkers in the construction of hydrogen bonded assemblies and porous 3D MOFs","Chemical Communications","2017","","","","","10.1039/C7CC06022J","","x-ray","0.71075","MoKα","K-L~3~","0.1192","0.087","","","0.2269","0.2552","","","","","","0.986","","","","has coordinates,has disorder","202870","2020-10-21","18:00:00",""
"7120853","18.4066","0.0003","26.4212","0.0006","27.4788","0.0006","106.338","0.002","108.689","0.002","102.171","0.002","11462.6","0.5","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C450 H618 Eu4 N48 S44 -","- C450 H618 Eu4 N48 S44 -","- C450 H618 Eu4 N48 S44 -","1","0.5","","Jiang, Jianzhuang; Lu, Guang; Chen, Yanli; Kong, Xia; Sun, Junshan; Zhang, Liangliang","Solution-processed single crystal microsheets of a novel dimeric phthalocyanine-involved triple-decker for high-performance ambipolar organic field effect transistors","Chemical Communications","2017","","","","","10.1039/C7CC06797F","","","1.54178","CuKα","","0.1408","0.0781","","","0.2055","0.2378","","","","","","0.967","","","","has coordinates","202871","2020-10-21","18:00:00",""
"7120854","8.3677","0.0006","38.144","0.003","8.4959","0.0006","90","","90.9892","0.001","90","","2711.3","0.3","173","2","173","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","3-methoxy-3-(2-methoxy-3-phenylcyclopropyl)propanoic acid","","- C14 H18 O4 -","- C14 H18 O4 -","- C112 H144 O32 -","8","2","","Hosseini, Seyedeh Nargess; Johnston, Jeffrey R.; West, Frederick G.","Evidence for Heterolytic Cleavage of a Cyclic Oxonium Ylide: Implications for the Mechanism of the Stevens [1,2]-Shift","Chemical Communications","2017","","","","","10.1039/C7CC07716E","","","0.71073","MoKα","","0.0688","0.0501","","","0.1248","0.1354","","","","","","1.029","","","","has coordinates,has disorder","202933","2020-10-21","18:00:00",""
"7120855","16.4797","0.0011","9.7608","0.0006","17.639","0.0012","90","","115.521","0.001","90","","2560.5","0.3","295","2","295","2","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C24 H28 Cl F6 N2 P Ru -","- C24 H28 Cl F6 N2 P Ru -","- C96 H112 Cl4 F24 N8 P4 Ru4 -","4","1","","Tian, Meng; Li, Juanjuan; zhang, shumiao; Guo, Lihua; He, Xiangdong; Kong, Deliang; Zhang, Hairong; Liu, Zhe","Half-sandwich Ruthenium(II) Complexes Containing N^N chelated Imino-pyridyl Ligands That Are Selectively Toxic to Cancer Cells","Chemical Communications","2017","","","","","10.1039/C7CC08270C","","","0.71073","MoKα","","0.0511","0.0398","","","0.0983","0.1059","","","","","","1.046","","","","has coordinates","202934","2020-10-21","18:00:00",""
"7120856","27.7386","0.0006","27.7386","0.0006","54.2411","0.0013","90","","90","","120","","36143.3","1.4","100","2","100","2","","","","","","","","7","R -3 :H","-R 3","148","","","","- C74 H64 F12 Ir2 N8 O17 S4 -","- C73.6667 H62 F11 Ir2 N8 O16 S3.66667 -","- C1326 H1116 F198 Ir36 N144 O288 S66 -","18","1","","Liu, Naifang; Huang, Shengli; Liu, Xiaogang; Luo, He-Kuan; Hor, T. S. Andy","Self-assembled [2]Catenane in Trapezodial Metallacycles with [Cp*Ir]-Corner","Chemical Communications","2017","","","","","10.1039/C7CC08009C","","","1.54178","CuKα","","0.0729","0.0631","","","0.1697","0.1825","","","","","","0.955","","","","has coordinates,has disorder","202935","2020-10-21","18:00:00",""
"7120857","15.104","0.003","19.536","0.004","23.139","0.005","90","","106.57","0.03","90","","6544","3","100","2","100","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C78 H84 Ge N2 Si2 Zn -","- C78 H84 Ge N2 Si2 Zn -","- C312 H336 Ge4 N8 Si8 Zn4 -","4","1","","Juckel, Martin; Hicks, Jamie; Jiang, Dandan; Zhao, Lili; Frenking, Gernot; Jones, Cameron","An Acyclic Zincagermylene: Rapid Activation of Dihydrogen at Sub-Ambient Temperature","Chemical Communications","2017","","","","","10.1039/C7CC08430G","","","0.7109","Synchrotron","","0.0499","0.0476","","","0.1118","0.1129","","","","","","1.165","","","","has coordinates","202936","2020-10-21","18:00:00",""
"7120858","12.268","0.003","40.891","0.008","14.886","0.003","90","","101.3","0.03","90","","7323","3","100","2","100","2","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C74 H100.2 B Ge N4 Si2 Zn -","- C74 H100.2 B Ge N4 Si2 Zn -","- C296 H400.8 B4 Ge4 N16 Si8 Zn4 -","4","1","","Juckel, Martin; Hicks, Jamie; Jiang, Dandan; Zhao, Lili; Frenking, Gernot; Jones, Cameron","An Acyclic Zincagermylene: Rapid Activation of Dihydrogen at Sub-Ambient Temperature","Chemical Communications","2017","","","","","10.1039/C7CC08430G","","","0.7109","Synchrotron","","0.0896","0.0556","","","0.1292","0.1462","","","","","","1.023","","","","has coordinates","202936","2020-10-21","18:00:00",""
"7120859","12.899","0.003","15.071","0.003","19.496","0.004","82.02","0.03","88.06","0.03","65.04","0.03","3401.5","1.5","100","2","100","2","","","","","","","","7","P -1","-P 1","2","","","","- C71 H95 B Ge N4 Si2 Zn -","- C71 H95 B Ge N4 Si2 Zn -","- C142 H190 B2 Ge2 N8 Si4 Zn2 -","2","1","","Juckel, Martin; Hicks, Jamie; Jiang, Dandan; Zhao, Lili; Frenking, Gernot; Jones, Cameron","An Acyclic Zincagermylene: Rapid Activation of Dihydrogen at Sub-Ambient Temperature","Chemical Communications","2017","","","","","10.1039/C7CC08430G","","","0.7109","Synchrotron","","0.072","0.0541","","","0.1289","0.1387","","","","","","1.031","","","","has coordinates,has disorder","202936","2020-10-21","18:00:00",""
"7120860","28.521","0.0007","28.521","0.0007","9.6037","0.0003","90","","90","","120","","6765.5","0.3","100","2","100","2","","","","","","","","5","R -3 :H","-R 3","148","","","","- C8 H7 Br Cu N6 -","- C8 H7 Br Cu N6 -","- C144 H126 Br18 Cu18 N108 -","18","1","","Liu, Jie; Du, Jia-Jia; Wu, Yuan; Zhao, Yi-Fang; Zhou, Xiao-Ping; Li, Dan","From Helix to Helical Pores: Solid-state Crystalline Conversions Triggered by Gas-Solid Reactions","Chemical Communications","2017","","","","","10.1039/C7CC07510C","","","1.54184","CuKα","","0.037","0.035","","","0.0836","0.0846","","","","","","1.075","","","","has coordinates,has disorder","202988","2020-10-21","18:00:00",""
"7120861","27.9457","0.0007","27.9457","0.0007","9.7132","0.0002","90","","90","","120","","6569.4","0.3","100","2","100","2","","","","","","","","5","R -3 :H","-R 3","148","","","","- C8 H7 Cl Cu N6 -","- C8 H7 Cl Cu N6 -","- C144 H126 Cl18 Cu18 N108 -","18","1","","Liu, Jie; Du, Jia-Jia; Wu, Yuan; Zhao, Yi-Fang; Zhou, Xiao-Ping; Li, Dan","From Helix to Helical Pores: Solid-state Crystalline Conversions Triggered by Gas-Solid Reactions","Chemical Communications","2017","","","","","10.1039/C7CC07510C","","","1.54184","CuKα","","0.0401","0.0379","","","0.106","0.1077","","","","","","1.057","","","","has coordinates,has disorder","202988","2020-10-21","18:00:00",""
"7120862","10.896","0.0015","16.695","0.002","17.021","0.002","67.382","0.003","72.653","0.003","83.435","0.003","2728.1","0.6","296","2","296","2","","","","","","","","6","P -1","-P 1","2","","","","- C55 H64 Cl2 N2 O4 Si2 -","- C55 H64 Cl2 N2 O4 Si2 -","- C110 H128 Cl4 N4 O8 Si4 -","2","1","","Peng, Shiyong; Ji, Danqing; Sun, Jiangtao","Gold-Catalyzed [2+2+2+2]-Annulation of 1,3,5-Hexahydro-1,3,5-triazines with Alkoxyallenes","Chemical Communications","2017","","","","","10.1039/C7CC07554E","","","0.71073","MoKα","","0.1293","0.0933","","","0.2844","0.3307","","","","","","1.204","","","","has coordinates","202989","2020-10-21","18:00:00",""
"7120863","14.7","0.002","8.4865","0.0012","26.024","0.004","90","","98.902","0.013","90","","3207.4","0.8","118.6","0.5","118.6","0.5","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C35 H36 N6 O2 S -","- C35 H36 N6 O2 S -","- C140 H144 N24 O8 S4 -","4","1","","Yuan, Yuan; Yan, Xiao-Sheng; Li, Xiao-Rui; Cao, Jin-Lian; Li, Zhao; Jiang, Yun-Bao","Folded short azapeptide for conformation switching based fluorescent sensing","Chemical Communications","2017","","","","","10.1039/C7CC06915D","","","1.54184","CuKα","","0.1668","0.1428","","","0.3548","0.3757","","","","","","1.046","","","","has coordinates","202990","2020-10-21","18:00:00",""
"7120864","9.7594","0.0011","12.6345","0.0014","17.835","0.002","90","","90","","90","","2199.1","0.4","100","2","100","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C21 H24 Br N O6 S -","- C21 H24 Br N O6 S -","- C84 H96 Br4 N4 O24 S4 -","4","1","","Zhou, Hui; Zhang, Shixiong; Deng, Ping; Zhou, Jing; Liu, Mouxiong; Liang, Guojuan; Xiong, Yan","A Novel Homobimetallic Nickel Complex for Asymmetric Direct Mannich Reaction of Imines: A Practical Method on a Multi-Gram Scale","Chemical Communications","2017","","","","","10.1039/C7CC06468C","","","0.71073","MoKα","","0.0596","0.0446","","","0.1001","0.1059","","","","","","1.072","","","","has coordinates","203020","2020-10-21","18:00:00",""
"7120865","15.049","0.011","14.809","0.01","29.11","0.02","90","","90","","90","","6487","8","100","","100","","","","","","","","","7","P b c a","-P 2ac 2ab","61","","","","- C29 H39 B2 F9 Fe N6 O2 -","- C29 H39 B2 F9 Fe N6 O2 -","- C232 H312 B16 F72 Fe8 N48 O16 -","8","1","","Gaudette, Alexandra; Thorarinsdottir, Agnes E.; Harris, David","pH-Dependent Spin State Population and 19F NMR Chemical Shift via Remote Ligand Protonation in an Iron(II) Complex","Chemical Communications","2017","","","","","10.1039/C7CC08158H","","","0.71073","MoKα","","0.1198","0.0785","","","0.1898","0.2152","","","","","","1.032","","","","has coordinates,has disorder","203093","2020-10-21","18:00:00",""
"7120866","10.6859","0.001","13.7251","0.0015","15.4139","0.0013","90","","93.143","0.006","90","","2257.3","0.4","123","2","123","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","ethyl (Z)-2-(3-benzylidene-4-oxo-2-tosyl-1,2,3,4-tetrahydroisoquinolin-1-yl)acetate","","- C27 H25 N O5 S -","- C27 H25 N O5 S -","- C108 H100 N4 O20 S4 -","4","1","","Ametovski, Jhi; Dutta, Uttam; Burchill, Laura; Maiti, Debrabrata; Lupton, David William; Hooper, Joel","Phosphine catalysed (5 + 1) annulation of ynone/cinnamates with primary amines","Chemical Communications","2017","","","","","10.1039/C7CC08252E","","","0.71073","MoKα","","0.0622","0.0428","","","0.0995","0.1116","","","","","","1.04","","","","has coordinates","203094","2020-10-21","18:00:00",""
"7120867","18.2416","0.0013","18.2416","0.0013","9.9938","0.0007","90","","90","","120","","2880","0.4","173","2","173","2","","","","","","","","6","P -6 2 m","P -6 -2","189","","","","- C6.25 H Co0.17 In0.25 N O3 -","- C6.25 H Co0.166667 In0.25 N O3 -","- C75 H12 Co2 In3 N12 O36 -","12","1","","Qian, Jinjie; Li, Ting-Ting; Hu, Yue; Huang, Shaoming","A bimetallic carbide derived from metal-organic framework precursor for enhanced electrocatalytic oxygen evolution activity","Chemical Communications","2017","","","","","10.1039/C7CC07853F","","","0.71073","MoKα","","0.063","0.0624","","","0.1748","0.1757","","","","","","1.084","","","","has coordinates","203137","2020-10-21","18:00:00",""
"7120868","17.1066","0.0003","18.1573","0.0003","30.8056","0.0005","87.076","0.001","81.339","0.002","65.383","0.002","8598.9","0.3","120","2","120","2","","","","","","","","7","P -1","-P 1","2","","","","- C108 H258 Cu2 K6 N36 O18 Si18 -","- C108 H258 Cu2 K6 N36 O18 Si18 -","- C216 H516 Cu4 K12 N72 O36 Si36 -","2","1","","Geitner, Felix; Fässler, Thomas F","Low Oxidation State Silicon Clusters ‒ Synthesis and Structure of [NHCDippCu(η4-Si9)]3-","Chemical Communications","2017","","","","","10.1039/C7CC07995H","","","0.71073","MoKα","","0.0766","0.0418","","","0.0962","0.1036","","","","","","0.9","","","","has coordinates","203138","2020-10-21","18:00:00",""
"7120869","17.1296","0.0003","18.1554","0.0003","30.796","0.0005","86.899","0.001","81.149","0.002","65.729","0.002","8626.4","0.3","120","2","120","2","","","","","","","","8","P -1","-P 1","2","","","","- C108 H258 Cu2 K3.15 N36 O18 Rb2.85 Si18 -","- C108 H258 Cu2 K3.152 N36 O18 Rb2.849 Si18 -","- C216 H516 Cu4 K6.304 N72 O36 Rb5.698 Si36 -","2","1","","Geitner, Felix; Fässler, Thomas F","Low Oxidation State Silicon Clusters ‒ Synthesis and Structure of [NHCDippCu(η4-Si9)]3-","Chemical Communications","2017","","","","","10.1039/C7CC07995H","","","0.71073","MoKα","","0.1068","0.0443","","","0.0967","0.1074","","","","","","0.823","","","","has coordinates","203138","2020-10-21","18:00:00",""
"7120870","10.4172","0.0009","11.5094","0.0009","12.3947","0.0019","90","","99.589","0.013","90","","1465.3","0.3","150","2","150","0.1","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C16 H19 B O2 -","- C16 H19 B O2 -","- C64 H76 B4 O8 -","4","1","","López-Alled, Carlos M.; Sanchez-Fernandez, Adrian; Edler, Karen J.; Sedgwick, Adam C.; Bull, Steven D.; McMullin, Claire L.; Kociok-Köhn, Gabriele; James, Tony D.; Wenk, Jannis; Lewis, Simon E.","Azulene‒boronate esters: colorimetric indicators for fluoride in drinking water","Chemical Communications","2017","","","","","10.1039/C7CC07416F","","x-ray","1.54184","CuKα","","0.1015","0.0637","","","0.1583","0.1844","","","","","","1.024","","","","has coordinates","203198","2020-10-21","18:00:00",""
"7120871","14.228","0.0002","28.0486","0.0005","10.0686","0.00015","90","","98.7934","0.0013","90","","3970.9","0.11","100","2","100","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C15 H20 N2 -","- C15 H20 N2 -","- C180 H240 N24 -","12","3","","Das, Uttam Kumar; Shimon, Linda; Milstein, David","Imidazoles Synthesis by Transition Metal Free, Base‐Mediated Deaminative Coupling of Benzylamines and Nitriles","Chemical Communications","2017","","","","","10.1039/C7CC08322J","","","1.54184","CuKα","","0.0582","0.0544","","","0.1583","0.1622","","","","","","1.054","","","","has coordinates","203199","2020-10-21","18:00:00",""
"7120872","18.82","0.012","25.412","0.017","7.492","0.005","90","","90","","90","","3583","4","150","2","150","2","","","","","","","","3","I b a 2","I 2 -2c","45","","","","- C23 H23 N -","- C23 H23 N -","- C184 H184 N8 -","8","1","","LaFortune, James H. W.; Bayne, Julia M.; Johnstone, Timothy C.; Fan, Louie; Stephan, Douglas W.","Catalytic double hydroarylation of alkynes to 9,9-disubstituted 9,10-dihydroacridine derivatives by an electrophilic phenoxyphosphonium dication","Chemical Communications","2017","","","","","10.1039/C7CC08037A","","","0.71073","MoKα","","0.0892","0.0473","","","0.1013","0.1338","","","","","","1.057","","","","has coordinates","203221","2020-10-21","18:00:00",""
"7120873","20.53","0.013","25.541","0.014","7.45","0.004","90","","90","","90","","3906","4","150","2","150","2","","","","","","","","4","I b a 2","I 2 -2c","45","","","","- C23 H22 Br N -","- C23 H22 Br N -","- C184 H176 Br8 N8 -","8","1","","LaFortune, James H. W.; Bayne, Julia M.; Johnstone, Timothy C.; Fan, Louie; Stephan, Douglas W.","Catalytic double hydroarylation of alkynes to 9,9-disubstituted 9,10-dihydroacridine derivatives by an electrophilic phenoxyphosphonium dication","Chemical Communications","2017","","","","","10.1039/C7CC08037A","","","0.71073","MoKα","","0.0827","0.0325","","","0.0706","0.0989","","","","","","1.011","","","","has coordinates","203221","2020-10-21","18:00:00",""
"7120874","8.0404","0.0008","13.3233","0.0017","15.2895","0.0017","90","","90","","90","","1637.9","0.3","150","2","150","2","","","","","","","","3","P n m a","-P 2ac 2n","62","","","","- C22 H21 N -","- C22 H21 N -","- C88 H84 N4 -","4","0.5","","LaFortune, James H. W.; Bayne, Julia M.; Johnstone, Timothy C.; Fan, Louie; Stephan, Douglas W.","Catalytic double hydroarylation of alkynes to 9,9-disubstituted 9,10-dihydroacridine derivatives by an electrophilic phenoxyphosphonium dication","Chemical Communications","2017","","","","","10.1039/C7CC08037A","","","0.71073","MoKα","","0.0987","0.0861","","","0.1908","0.1977","","","","","","1.177","","","","has coordinates","203221","2020-10-21","18:00:00",""
"7120875","23.643","0.004","6.2144","0.0009","29.822","0.004","90","","105.394","0.006","90","","4224.5","1.1","150","2","150","2","","","","","","","","3","C 1 2/c 1","-C 2yc","15","","","","- C29 H27 N -","- C29 H27 N -","- C232 H216 N8 -","8","1","","LaFortune, James H. W.; Bayne, Julia M.; Johnstone, Timothy C.; Fan, Louie; Stephan, Douglas W.","Catalytic double hydroarylation of alkynes to 9,9-disubstituted 9,10-dihydroacridine derivatives by an electrophilic phenoxyphosphonium dication","Chemical Communications","2017","","","","","10.1039/C7CC08037A","","","0.71073","MoKα","","0.1361","0.0595","","","0.1267","0.169","","","","","","0.992","","","","has coordinates","203221","2020-10-21","18:00:00",""
"7120876","7.4056","0.0018","25.093","0.006","11.58","0.003","90","","103.797","0.008","90","","2089.8","0.9","150","2","150","2","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","","","- C26 H29 N -","- C26 H30 N -","- C104 H120 N4 -","4","1","","LaFortune, James H. W.; Bayne, Julia M.; Johnstone, Timothy C.; Fan, Louie; Stephan, Douglas W.","Catalytic double hydroarylation of alkynes to 9,9-disubstituted 9,10-dihydroacridine derivatives by an electrophilic phenoxyphosphonium dication","Chemical Communications","2017","","","","","10.1039/C7CC08037A","","","0.71073","MoKα","","0.1571","0.1025","","","0.2596","0.2932","","","","","","1.106","","","","has coordinates","203221","2020-10-21","18:00:00",""
"7120877","19.792","0.005","12.548","0.003","7.5356","0.0016","90","","90","","90","","1871.5","0.8","150","2","150","2","","","","","","","","3","P n a 21","P 2c -2n","33","","","","- C24 H25 N -","- C24 H25 N -","- C96 H100 N4 -","4","1","","LaFortune, James H. W.; Bayne, Julia M.; Johnstone, Timothy C.; Fan, Louie; Stephan, Douglas W.","Catalytic double hydroarylation of alkynes to 9,9-disubstituted 9,10-dihydroacridine derivatives by an electrophilic phenoxyphosphonium dication","Chemical Communications","2017","","","","","10.1039/C7CC08037A","","","0.71073","MoKα","","0.0906","0.0601","","","0.1451","0.1668","","","","","","0.932","","","","has coordinates","203221","2020-10-21","18:00:00",""
"7120878","8.3732","0.0005","9.5046","0.0005","11.9276","0.0004","69.88","0.004","88.812","0.004","84.255","0.004","886.74","0.08","150","2","150","0.1","","","","","","","","4","P -1","-P 1","2","","","","- C22 H21 N3 O2 -","- C22 H21 N3 O2 -","- C44 H42 N6 O4 -","2","1","","Leitch, Jamie; Heron, Callum; McKnight, Janette; Kociok-Kohn, Gabriele; Bhonoah, Yunas; Frost, Christopher G.","Ruthenium Catalysed Remote C4-Selective C-H Functionalisation of Carbazoles via σ-Activation","Chemical Communications","2017","","","","","10.1039/C7CC07606A","","x-ray","0.71073","MoKα","","0.0735","0.061","","","0.149","0.1576","","","","","","1.071","","","","has coordinates","203241","2020-10-21","18:00:00",""
"7120879","7.8675","0.0003","10.1106","0.0004","15.6264","0.0006","86.5614","0.0006","85.1575","0.0006","79.756","0.0006","1217.54","0.08","150","2","150","2","","","","","","","","4","P -1","-P 1","2","","","","- C33 H24 O Si -","- C33 H24 O Si -","- C66 H48 O2 Si2 -","2","1","","Wu, Xiao-Feng; Zhu, Fengxiang; Spannenberg, Anke","Rhodium-Catalyzed Carbonylative Synthesis of Silyl-Substituted Indenones","Chemical Communications","2017","","","","","10.1039/C7CC08210J","","","0.71073","MoKα","","0.0399","0.0354","","","0.092","0.0964","","","","","","1.034","","","","has coordinates","203312","2020-10-21","18:00:00",""
"7120880","16.8782","0.0005","17.995","0.0007","31.0107","0.0008","90","","90","","90","","9418.7","0.5","150","1","150","1","","","","","","","","6","P c c n","-P 2ab 2ac","56","local reference Estr. 1031 ""Pt4Ag2""","Compound 2","","- C60 H24 Ag2 Cl40 O8 Pt4 -","- C60 H12 Ag2 Cl40 O8 Pt4 -","- C240 H48 Ag8 Cl160 O32 Pt16 -","4","0.5","","Ara, I.; García-Monforte, M. A.; González, R.; Falvello, L. R.; Tomás, M.","A route to small clusters: a twisted half-hexagram-shaped M4(OH)4 cluster and its capacity for hosting closed-shell metals","Chemical Communications","2017","","","","","10.1039/C7CC07712B","","x-ray","0.71073","MoKα","","0.1795","0.0575","","","0.0975","0.1213","","","","","","1.094","","","","has coordinates","203399","2020-10-21","18:00:00",""
"7120881","50.3157","0.0009","13.2707","0.0002","17.5344","0.0002","90","","90","","90","","11708.1","0.3","173","1","173","1","","","","","","","","6","P n a 21","P 2c -2n","33","Local reference Estr. 1039, ""Pt4""","compound 1","","- C86 H88 Cl40 N2 O6 Pt4 -","- C86 H84 Cl40 N2 O6 Pt4 -","- C344 H336 Cl160 N8 O24 Pt16 -","4","1","","Ara, I.; García-Monforte, M. A.; González, R.; Falvello, L. R.; Tomás, M.","A route to small clusters: a twisted half-hexagram-shaped M4(OH)4 cluster and its capacity for hosting closed-shell metals","Chemical Communications","2017","","","","","10.1039/C7CC07712B","","x-ray","0.71073","MoKα","","0.0305","0.028","","","0.0556","0.0567","","","","","","1.035","","","","has coordinates","203399","2020-10-21","18:00:00",""
"7120882","36.231","0.003","14.2891","0.0009","26.17","0.003","90","","109.636","0.011","90","","12761","2","200","2","200","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C112 H128 Cl12 N4 O10 -","- C112 H128 Cl12 N4 O10 -","- C448 H512 Cl48 N16 O40 -","4","0.5","","Su, Pei-Mei; Chang, Kai-Chi; Yang, Cheng-Jhang; Liu, Yi-Chieh; Chung, Wen-Sheng","Light-driven nanofiber and nanoring morphological transformations in organogels based on an azobenzene-bridged biscalix[4]arene","Chemical Communications","2017","","","","","10.1039/C7CC07172H","","","0.71073","MoKα","","0.2632","0.1561","","","0.3765","0.3969","","","","","","1.784","","","","has coordinates,has disorder","203400","2020-10-21","18:00:00",""
"7120883","36.5263","0.0018","14.3181","0.0003","26.3568","0.0011","90","","110.445","0.005","90","","12916","1","200","2","200","2","","","","","","","nonnatural compound","4","C 1 2/c 1","-C 2yc","15","","diphenylazobridged bistriazolylbiscalix[4]arene","","- C106 H124 N8 O8 -","- C106 H124 N8 O8 -","- C424 H496 N32 O32 -","4","0.5","","Su, Pei-Mei; Chang, Kai-Chi; Yang, Cheng-Jhang; Liu, Yi-Chieh; Chung, Wen-Sheng","Light-driven nanofiber and nanoring morphological transformations in organogels based on an azobenzene-bridged biscalix[4]arene","Chemical Communications","2017","","","","","10.1039/C7CC07172H","","","1.54178","CuKα","","0.0888","0.0719","","","0.2133","0.2248","","","","","","1.331","","","","has coordinates,has disorder","203400","2020-10-21","18:00:00",""
"7120884","13.4335","0.0015","13.4335","0.0015","23.428","0.002","90","","90","","120","","3661.4","0.7","296","2","296","2","","","","","","","","5","P 62 2 2","P 62 2 (0 0 4)","180","","","","- C9 H6 N O6 Sr -","- C9 H6 N O6 Sr -","- C108 H72 N12 O72 Sr12 -","12","1","","Li, Xiu-Yuan; Li, Yong-Zhi; Yang, Yun; Hou, Lei; Wang, Yao-Yu; Zhu, Zhonghua","Efficient light hydrocarbon separation and CO2 capture and conversion in a stable MOF with oxalamide-decorated polar tubes","Chemical Communications","2017","","","","","10.1039/C7CC08298C","","","0.71073","MoKα","","0.105","0.0957","","","0.236","0.2439","","","","","","1.062","","","","has coordinates","203432","2020-10-21","18:00:00",""
"7120885","9.236","0.0013","23.305","0.002","10.001","0.0014","90","","100.675","0.014","90","","2115.4","0.5","293","2","293","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C25 H20 Br N O3 S -","- C25 H20 Br N O3 S -","- C100 H80 Br4 N4 O12 S4 -","4","1","","Su, Xiaolong; Huang, Honggui; Hong, Wei; Cui, Jianchao; Yu, Menglin; Li, Yi","Alkyl radical triggered in situ SO2-capture cascades","Chemical Communications","2017","","","","","10.1039/C7CC08362A","","","0.71073","MoKα","","0.185","0.076","","","0.1699","0.2229","","","","","","0.997","","","","has coordinates","203433","2020-10-21","18:00:00",""
"7120886","24.6971","0.0012","12.4777","0.0005","15.4814","0.0008","90","","94.716","0.005","90","","4754.6","0.4","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C27 H27 N O4 S -","- C27 H27 N O4 S -","- C216 H216 N8 O32 S8 -","8","2","","Su, Xiaolong; Huang, Honggui; Hong, Wei; Cui, Jianchao; Yu, Menglin; Li, Yi","Alkyl radical triggered in situ SO2-capture cascades","Chemical Communications","2017","","","","","10.1039/C7CC08362A","","","0.71073","MoKα","","0.086","0.0506","","","0.1356","0.1567","","","","","","1.028","","","","has coordinates","206489","2020-10-21","18:00:00",""
"7120887","9.05","0.002","10.383","0.003","10.614","0.003","104.413","0.003","108.914","0.002","98.323","0.002","885.7","0.4","110","2","110","2","","","","","","","","6","P -1","-P 1","2","None","","","- C20 H15 F3 N O P -","- C20 H15 F3 N O P -","- C40 H30 F6 N2 O2 P2 -","2","1","","Sen, Srobona; Gabbaï, François P.","An ambiphilic phosphine/H-bond donor ligand and its application to the gold mediated cyclization of propargylamides","Chemical Communications","2017","","","","","10.1039/C7CC06065C","","","0.71073","MoKα","","0.0748","0.0452","","","0.0946","0.1099","","","","","","1.02","","","","has coordinates","203468","2020-10-21","18:00:00",""
"7120888","8.3163","0.0018","11.311","0.002","20.388","0.004","97.177","0.003","92.474","0.003","90.001","0.003","1901","0.6","110","2","110","2","","","","","","","","8","P -1","-P 1","2","None","","","- C40 H30 Au Cl F6 N2 O2 P2 -","- C40 H30 Au Cl F6 N2 O2 P2 -","- C80 H60 Au2 Cl2 F12 N4 O4 P4 -","2","1","","Sen, Srobona; Gabbaï, François P.","An ambiphilic phosphine/H-bond donor ligand and its application to the gold mediated cyclization of propargylamides","Chemical Communications","2017","","","","","10.1039/C7CC06065C","","","0.71073","MoKα","","0.0475","0.0419","","","0.1143","0.1176","","","","","","1.068","","","","has coordinates","203468","2020-10-21","18:00:00",""
"7120889","12.419","0.003","19.253","0.004","17.779","0.004","90","","108.598","0.002","90","","4029","1.6","110","2","110.15","","","","","","","","","8","P 1 21/n 1","-P 2yn","14","","","","- C20 H15 Au Cl F3 N O P -","- C20 H15 Au Cl F3 N O P -","- C160 H120 Au8 Cl8 F24 N8 O8 P8 -","8","2","","Sen, Srobona; Gabbaï, François P.","An ambiphilic phosphine/H-bond donor ligand and its application to the gold mediated cyclization of propargylamides","Chemical Communications","2017","","","","","10.1039/C7CC06065C","","","0.71073","MoKα","","0.0922","0.0398","","","0.0762","0.0935","","","","","","0.975","","","","has coordinates,has disorder","276326","2022-06-28","14:17:50",""
"7120890","26.868","0.005","16.649","0.003","8.7567","0.0015","90","","97.238","0.002","90","","3885.9","1.2","93","2","93","2","","","","","","","","6","C 1 2/m 1","-C 2y","12","","","","- C34 H64 In Li O2 Si2 -","- C34 H64 In Li O2 Si2 -","- C136 H256 In4 Li4 O8 Si8 -","4","0.5","","Nakamura, Taichi; Suzuki, Katsunori; Yamashita, Makoto","Anionic Indabenzene: Synthesis and Characterization","Chemical Communications","2017","","","","","10.1039/C7CC08397A","","","0.71075","MoKα","","0.049","0.0425","","","0.0905","0.0952","","","","","","1.051","","","","has coordinates,has disorder","203469","2020-10-21","18:00:00",""
"7120891","15.6436","0.0014","13.5076","0.0012","21.2642","0.0019","90","","90","","90","","4493.3","0.7","93","2","93","2","","","","","","","","6","P n a 21","P 2c -2n","33","","","","- C36 H78 In Li O6 Si2 -","- C36 H78 In Li O6 Si2 -","- C144 H312 In4 Li4 O24 Si8 -","4","1","","Nakamura, Taichi; Suzuki, Katsunori; Yamashita, Makoto","Anionic Indabenzene: Synthesis and Characterization","Chemical Communications","2017","","","","","10.1039/C7CC08397A","","","0.71075","MoKα","","0.0445","0.036","","","0.0778","0.0816","","","","","","1.046","","","","has coordinates","203469","2020-10-21","18:00:00",""
"7120892","12.26","0.003","22.872","0.005","14.194","0.003","90","","112.635","0.003","90","","3673.6","1.4","113","2","113","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C32 H68 Al Cl N Si2 -","- C32 H68 Al Cl N Si2 -","- C128 H272 Al4 Cl4 N4 Si8 -","4","1","","Nakamura, Taichi; Suzuki, Katsunori; Yamashita, Makoto","Anionic Indabenzene: Synthesis and Characterization","Chemical Communications","2017","","","","","10.1039/C7CC08397A","","","0.71075","MoKα","","0.0979","0.0632","","","0.1391","0.1615","","","","","","1.065","","","","has coordinates,has disorder","203469","2020-10-21","18:00:00",""
"7120893","8.3947","0.0007","8.9976","0.0008","23.8","0.003","84.03","0.006","84.082","0.006","62.464","0.004","1582.3","0.3","93","2","93","2","","","","","","","","5","P -1","-P 1","2","","","","- C29 H54 In N Si2 -","- C29 H54 In N Si2 -","- C58 H108 In2 N2 Si4 -","2","1","","Nakamura, Taichi; Suzuki, Katsunori; Yamashita, Makoto","Anionic Indabenzene: Synthesis and Characterization","Chemical Communications","2017","","","","","10.1039/C7CC08397A","","","0.71075","MoKα","","0.0425","0.0317","","","0.0758","0.0808","","","","","","1.013","","","","has coordinates","203469","2020-10-21","18:00:00",""
"7120894","12.364","0.0007","7.4331","0.0004","16.5987","0.0009","90","","105.575","0.002","90","","1469.45","0.14","120","2","120","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C17 H18 N2 O2 S -","- C17 H18 N2 O2 S -","- C68 H72 N8 O8 S4 -","4","1","","Wan, Xiaobing; Chen, Jijun; Long, Wenhao; Fang, Shangwen; Yang, Yonggang","Interception of Amide Ylides with Sulfonamides: Synthesis of (E)-N-Sulfonyl Amidines Catalyzed by Zn(OTf)2","Chemical Communications","2017","","","","","10.1039/C7CC07364J","","","0.71073","MoKα","","0.0395","0.0328","","","0.094","0.1085","","","","","","1.188","","","","has coordinates","203470","2020-10-21","18:00:00",""
"7120895","7.4252","0.0007","9.8673","0.001","11.235","0.0011","77.187","0.003","79.103","0.003","69.194","0.003","744.8","0.13","120","2","120","2","","","","","","","","5","P -1","-P 1","2","","","","- C17 H18 N2 O2 S -","- C17 H18 N2 O2 S -","- C34 H36 N4 O4 S2 -","2","1","","Wan, Xiaobing; Chen, Jijun; Long, Wenhao; Fang, Shangwen; Yang, Yonggang","Interception of Amide Ylides with Sulfonamides: Synthesis of (E)-N-Sulfonyl Amidines Catalyzed by Zn(OTf)2","Chemical Communications","2017","","","","","10.1039/C7CC07364J","","","0.71073","MoKα","","0.0558","0.0418","","","0.1133","0.1321","","","","","","1.096","","","","has coordinates","203470","2020-10-21","18:00:00",""
"7120896","10.024","0.005","11.074","0.005","13.112","0.006","90","","92.686","0.009","90","","1453.9","1.2","293.15","","293.15","","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C33 H27 Br O5 -","- C33 H27 Br O5 -","- C66 H54 Br2 O10 -","2","1","","Fang, Xinqiang; Zhang, Guoxiang; Xu, Weici; Liu, Jian; Das, Deb Kumar; Yang, Shuang; Perveen, Saima; Zhang, Hao; Li, Xinglong","Enantioselective Intermolecular All-Carbon [4+2] Annulation via N-Heterocyclic Carbene Organocatalysis","Chemical Communications","2017","","","","","10.1039/C7CC08680F","","","0.71073","MoKα","","0.0762","0.0477","","","0.1078","0.1157","","","","","","0.732","","","","has coordinates","203514","2020-10-21","18:00:00",""
"7120897","40.2486","0.0011","40.2486","0.0011","95.357","0.002","90","","90","","120","","133778","6","150","2","150","","","","","","","","","5","R -3 c","-R 3 2""c","167","","","","- C216 H180 Au70 P12 S20 -","- C216 H180 Au70 P12 S20 -","- C3888 H3240 Au1260 P216 S360 -","18","","","Schnepf, Andreas; Schrenk, Claudio; Häkkinen, Hannu; Frojd, Andrew R.; Kenzler, Sebastian Ignaz Joachim; Clayborne, Andre","Au70S20(PPh3)12: An intermediate sized metalloid gold cluster stabilized by the Au4S4 ring motif and Au-PPh3 groups","Chemical Communications","2017","","","","","10.1039/C7CC08014J","","x-ray","0.8","synchrotron","","0.1271","0.0931","","","0.1901","0.2245","","","","","","1.204","","","","has coordinates,has disorder","203563","2020-10-21","18:00:00",""
"7120898","20.4604","0.0004","11.992","0.0003","16.2456","0.0004","90","","101.666","0.002","90","","3903.7","0.16","250","2","250","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","Bis[4-(isopropylsulfanyl)-2,6-di(pyrazol-1-yl)pyridine]iron(II)diperchlorate nitromethane solvate","","- C29 H33 Cl2 Fe N11 O10 S2 -","- C29 H33 Cl2 Fe N11 O10 S2 -","- C116 H132 Cl8 Fe4 N44 O40 S8 -","4","1","","Kulmaczewski, Rafal; Trzop, Elzbieta; Kershaw Cook, Laurence J.; Collet, Eric; CHASTANET, Guillaume; Halcrow, Malcolm","Role of Symmetry Breaking in the Structural Trapping of Light-Induced Excited Spin States","Chemical Communications","2017","","","","","10.1039/C7CC07990G","","","1.54184","CuKα","","0.065","0.055","","","0.1479","0.1575","","","","","","1.049","","","","has coordinates,has disorder","203565","2020-10-21","18:00:00",""
"7120899","20.469","0.0002","11.9404","0.0002","15.9241","0.0002","90","","101.789","0.001","90","","3809.88","0.09","150","2","150","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","Bis[4-(isopropylsulfanyl)-2,6-di(pyrazol-1-yl)pyridine]iron(II)diperchlorate nitromethane solvate","","- C29 H33 Cl2 Fe N11 O10 S2 -","- C29 H33 Cl2 Fe N11 O10 S2 -","- C116 H132 Cl8 Fe4 N44 O40 S8 -","4","1","","Kulmaczewski, Rafal; Trzop, Elzbieta; Kershaw Cook, Laurence J.; Collet, Eric; CHASTANET, Guillaume; Halcrow, Malcolm","Role of Symmetry Breaking in the Structural Trapping of Light-Induced Excited Spin States","Chemical Communications","2017","","","","","10.1039/C7CC07990G","","","1.54184","CuKα","","0.0488","0.0445","","","0.118","0.1223","","","","","","1.035","","","","has coordinates,has disorder","203565","2020-10-21","18:00:00",""
"7120900","20.286","0.0006","11.7884","0.0004","15.9103","0.0006","90","","102.266","0.003","90","","3717.9","0.2","250","2","250","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","Bis[4-(isopropylsulfanyl)-2,6-di(pyrazol-1-yl)pyridine]iron(II)diperchlorate","","- C28 H30 Cl2 Fe N10 O8 S2 -","- C28 H30 Cl2 Fe N10 O8 S2 -","- C112 H120 Cl8 Fe4 N40 O32 S8 -","4","1","","Kulmaczewski, Rafal; Trzop, Elzbieta; Kershaw Cook, Laurence J.; Collet, Eric; CHASTANET, Guillaume; Halcrow, Malcolm","Role of Symmetry Breaking in the Structural Trapping of Light-Induced Excited Spin States","Chemical Communications","2017","","","","","10.1039/C7CC07990G","","","1.54184","CuKα","","0.0871","0.0677","","","0.1826","0.2027","","","","","","1.038","","","","has coordinates,has disorder","203565","2020-10-21","18:00:00",""
"7120901","20.4689","0.0005","11.8194","0.0003","15.6562","0.0005","90","","103.345","0.003","90","","3685.43","0.18","250","2","250","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","Bis[4-(isopropylsulfanyl)-2,6-di(pyrazol-1-yl)pyridine]iron(II)diperchlorate hydrate","","- C28 H32 Cl2 Fe N10 O9 S2 -","- C28 H30 Cl2 Fe N10 O8.9 S2 -","- C112 H120 Cl8 Fe4 N40 O35.6 S8 -","4","1","","Kulmaczewski, Rafal; Trzop, Elzbieta; Kershaw Cook, Laurence J.; Collet, Eric; CHASTANET, Guillaume; Halcrow, Malcolm","Role of Symmetry Breaking in the Structural Trapping of Light-Induced Excited Spin States","Chemical Communications","2017","","","","","10.1039/C7CC07990G","","","1.54184","CuKα","","0.0811","0.0654","","","0.1737","0.1902","","","","","","1.025","","","","has coordinates,has disorder","203565","2020-10-21","18:00:00",""
"7120902","20.228","0.0005","11.8526","0.0004","15.5284","0.0004","90","","99.208","0.002","90","","3675.03","0.18","15","1","15","1","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C30 H33 B2 F8 Fe N11 S2 -","- C30 H33 B2 F8 Fe N11 S2 -","- C120 H132 B8 F32 Fe4 N44 S8 -","4","1","","Kulmaczewski, Rafal; Trzop, Elzbieta; Kershaw Cook, Laurence J.; Collet, Eric; CHASTANET, Guillaume; Halcrow, Malcolm","Role of Symmetry Breaking in the Structural Trapping of Light-Induced Excited Spin States","Chemical Communications","2017","","","","","10.1039/C7CC07990G","","x-ray","0.71073","MoKα","","0.0798","0.0511","","","0.1133","0.1275","","","","","","1.059","","","","has coordinates","203565","2020-10-21","18:00:00",""
"7120903","19.9722","0.0007","11.9976","0.0006","15.4592","0.0007","90","","103.466","0.004","90","","3602.5","0.3","100","2","100","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","Bis[4-(isopropylsulfanyl)-2,6-di(pyrazol-1-yl)pyridine]iron(II)diperchlorate hydrate","","- C28 H32 Cl2 Fe N10 O9 S2 -","- C28 H30 Cl2 Fe N10 O9 S2 -","- C112 H120 Cl8 Fe4 N40 O36 S8 -","4","1","","Kulmaczewski, Rafal; Trzop, Elzbieta; Kershaw Cook, Laurence J.; Collet, Eric; CHASTANET, Guillaume; Halcrow, Malcolm","Role of Symmetry Breaking in the Structural Trapping of Light-Induced Excited Spin States","Chemical Communications","2017","","","","","10.1039/C7CC07990G","","","1.54184","CuKα","","0.0693","0.0614","","","0.1596","0.1707","","","","","","1.031","","","","has coordinates,has disorder","203565","2020-10-21","18:00:00",""
"7120904","20.3076","0.001","11.8848","0.0006","15.9663","0.0008","90","","102.134","0.004","90","","3767.4","0.3","100","2","100","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","Bis[4-(isopropylsulfanyl)-2,6-di(pyrazol-1-yl)pyridine]iron(II)diperchlorate nitromethane solvate","","- C29 H33 Cl2 Fe N11 O10 S2 -","- C29 H33 Cl2 Fe N11 O10 S2 -","- C116 H132 Cl8 Fe4 N44 O40 S8 -","4","1","","Kulmaczewski, Rafal; Trzop, Elzbieta; Kershaw Cook, Laurence J.; Collet, Eric; CHASTANET, Guillaume; Halcrow, Malcolm","Role of Symmetry Breaking in the Structural Trapping of Light-Induced Excited Spin States","Chemical Communications","2017","","","","","10.1039/C7CC07990G","","","1.54184","CuKα","","0.0817","0.0696","","","0.1608","0.1692","","","","","","1.031","","","","has coordinates,has disorder","203565","2020-10-21","18:00:00",""
"7120905","20.4344","0.0002","11.806","0.0001","15.9788","0.0002","90","","100.515","0.001","90","","3790.13","0.07","140","2","140","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","Bis[4-(isopropylsulfanyl)-2,6-di(pyrazol-1-yl)pyridine]iron(II)diperchlorate acetonitrile solvate","","- C30 H33 Cl2 Fe N11 O8 S2 -","- C30 H33 Cl2 Fe N11 O8 S2 -","- C120 H132 Cl8 Fe4 N44 O32 S8 -","4","1","","Kulmaczewski, Rafal; Trzop, Elzbieta; Kershaw Cook, Laurence J.; Collet, Eric; CHASTANET, Guillaume; Halcrow, Malcolm","Role of Symmetry Breaking in the Structural Trapping of Light-Induced Excited Spin States","Chemical Communications","2017","","","","","10.1039/C7CC07990G","","","1.54184","CuKα","","0.0409","0.0381","","","0.0998","0.1028","","","","","","1.024","","","","has coordinates","203565","2020-10-21","18:00:00",""
"7120906","20.4826","0.0003","11.8109","0.0002","16.2096","0.0002","90","","101.419","0.001","90","","3843.77","0.1","150","2","150","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","Bis[4-(isopropylsulfanyl)-2,6-di(pyrazol-1-yl)pyridine]iron(II)diperchlorate acetone solvate","","- C30.1 H34.2 Cl2 Fe N10 O8.7 S2 -","- C30.1 H34.2 Cl2 Fe N10 O8.7 S2 -","- C120.4 H136.8 Cl8 Fe4 N40 O34.8 S8 -","4","1","","Kulmaczewski, Rafal; Trzop, Elzbieta; Kershaw Cook, Laurence J.; Collet, Eric; CHASTANET, Guillaume; Halcrow, Malcolm","Role of Symmetry Breaking in the Structural Trapping of Light-Induced Excited Spin States","Chemical Communications","2017","","","","","10.1039/C7CC07990G","","","1.54184","CuKα","","0.0655","0.0589","","","0.1595","0.167","","","","","","1.042","","","","has coordinates,has disorder","203565","2020-10-21","18:00:00",""
"7120907","20.2276","0.0005","11.8791","0.0003","15.0082","0.0004","90","","102.531","0.002","90","","3520.35","0.16","20","","20","","","","","","","","","8","P 1 21/c 1","-P 2ybc","14","","","","- C28 H32 B2 F8 Fe N10 O S2 -","- C28 H32 B2 F8 Fe N10 O S2 -","- C112 H128 B8 F32 Fe4 N40 O4 S8 -","4","1","","Kulmaczewski, Rafal; Trzop, Elzbieta; Kershaw Cook, Laurence J.; Collet, Eric; CHASTANET, Guillaume; Halcrow, Malcolm","Role of Symmetry Breaking in the Structural Trapping of Light-Induced Excited Spin States","Chemical Communications","2017","","","","","10.1039/C7CC07990G","","x-ray","0.71073","MoKα","","0.0821","0.047","","","0.0877","0.1007","","","","","","1.027","","","","has coordinates,has disorder","203565","2020-10-21","18:00:00",""
"7120908","20.2896","0.0005","12.0942","0.0003","15.3831","0.0004","90","","101.088","0.002","90","","3704.34","0.16","15","1","15","1","","","","","","","","8","P 1 21 1","P 2yb","4","","","","- C29 H33 B2 F8 Fe N11 O2 S2 -","- C29 H33 B2 F8 Fe N11 O2 S2 -","- C116 H132 B8 F32 Fe4 N44 O8 S8 -","4","2","","Kulmaczewski, Rafal; Trzop, Elzbieta; Kershaw Cook, Laurence J.; Collet, Eric; CHASTANET, Guillaume; Halcrow, Malcolm","Role of Symmetry Breaking in the Structural Trapping of Light-Induced Excited Spin States","Chemical Communications","2017","","","","","10.1039/C7CC07990G","","x-ray","0.71073","MoKα","","0.0398","0.0334","","","0.0696","0.0732","","","","","","1.01","","","","has coordinates,has disorder","203565","2020-10-21","18:00:00",""
"7120909","19.8888","0.0008","12.056","0.0005","15.4109","0.0008","90","","104.145","0.004","90","","3583.2","0.3","118","2","118","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","Bis[4-(isopropylsulfanyl)-2,6-di(pyrazol-1-yl)pyridine]iron(II)diperchlorate","","- C28 H30 Cl2 Fe N10 O8 S2 -","- C28 H30 Cl2 Fe N10 O8 S2 -","- C112 H120 Cl8 Fe4 N40 O32 S8 -","4","1","","Kulmaczewski, Rafal; Trzop, Elzbieta; Kershaw Cook, Laurence J.; Collet, Eric; CHASTANET, Guillaume; Halcrow, Malcolm","Role of Symmetry Breaking in the Structural Trapping of Light-Induced Excited Spin States","Chemical Communications","2017","","","","","10.1039/C7CC07990G","","","1.54184","CuKα","","0.0699","0.0629","","","0.1674","0.1757","","","","","","1.02","","","","has coordinates,has disorder","203565","2020-10-21","18:00:00",""
"7120910","20.4279","0.0004","11.9512","0.0003","16.1688","0.0005","90","","100.738","0.002","90","","3878.3","0.17","250","2","250","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","Bis[4-(isopropylsulfanyl)-2,6-di(pyrazol-1-yl)pyridine]iron(II)diperchlorate acetonitrile solvate","","- C30 H33 Cl2 Fe N11 O8 S2 -","- C30 H33 Cl2 Fe N11 O8 S2 -","- C120 H132 Cl8 Fe4 N44 O32 S8 -","4","1","","Kulmaczewski, Rafal; Trzop, Elzbieta; Kershaw Cook, Laurence J.; Collet, Eric; CHASTANET, Guillaume; Halcrow, Malcolm","Role of Symmetry Breaking in the Structural Trapping of Light-Induced Excited Spin States","Chemical Communications","2017","","","","","10.1039/C7CC07990G","","","1.54184","CuKα","","0.0627","0.0528","","","0.1361","0.1485","","","","","","1.082","","","","has coordinates,has disorder","203565","2020-10-21","18:00:00",""
"7120911","19.7391","0.0007","11.9252","0.0004","16.016","0.0005","90","","100.942","0.003","90","","3701.5","0.2","100","2","100","2","","","","","","","","8","P 1 21/c 1","-P 2ybc","14","","","","- C29 H33 B2 F8 Fe N11 O2 S2 -","- C29 H33 B2 F8 Fe N11 O2 S2 -","- C116 H132 B8 F32 Fe4 N44 O8 S8 -","4","1","","Kulmaczewski, Rafal; Trzop, Elzbieta; Kershaw Cook, Laurence J.; Collet, Eric; CHASTANET, Guillaume; Halcrow, Malcolm","Role of Symmetry Breaking in the Structural Trapping of Light-Induced Excited Spin States","Chemical Communications","2017","","","","","10.1039/C7CC07990G","","x-ray","0.71073","MoKα","","0.1363","0.0636","","","0.0696","0.0888","","","","","","1.008","","","","has coordinates,has disorder","203565","2020-10-21","18:00:00",""
"7120912","20.4915","0.0004","11.9029","0.0003","16.4898","0.0004","90","","101.531","0.002","90","","3940.82","0.16","250","2","250","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","Bis[4-(isopropylsulfanyl)-2,6-di(pyrazol-1-yl)pyridine]iron(II)diperchlorate acetone solvate","","- C30.1 H34.2 Cl2 Fe N10 O8.7 S2 -","- C30.1 H34.2 Cl2 Fe N10 O8.7 S2 -","- C120.4 H136.8 Cl8 Fe4 N40 O34.8 S8 -","4","1","","Kulmaczewski, Rafal; Trzop, Elzbieta; Kershaw Cook, Laurence J.; Collet, Eric; CHASTANET, Guillaume; Halcrow, Malcolm","Role of Symmetry Breaking in the Structural Trapping of Light-Induced Excited Spin States","Chemical Communications","2017","","","","","10.1039/C7CC07990G","","","1.54184","CuKα","","0.0872","0.0728","","","0.2041","0.2213","","","","","","1.053","","","","has coordinates,has disorder","203565","2020-10-21","18:00:00",""
"7120913","19.7442","0.001","12.1364","0.0005","15.0558","0.0009","90","","103.004","0.005","90","","3515.2","0.3","20","","20","","","","","","","","","8","P 1 21/c 1","-P 2ybc","14","","","","- C28 H32 B2 F8 Fe N10 O S2 -","- C28 H32 B2 F8 Fe N10 O S2 -","- C112 H128 B8 F32 Fe4 N40 O4 S8 -","4","1","","Kulmaczewski, Rafal; Trzop, Elzbieta; Kershaw Cook, Laurence J.; Collet, Eric; CHASTANET, Guillaume; Halcrow, Malcolm","Role of Symmetry Breaking in the Structural Trapping of Light-Induced Excited Spin States","Chemical Communications","2017","","","","","10.1039/C7CC07990G","","x-ray","0.71073","MoKα","","0.0957","0.0523","","","0.0817","0.0981","","","","","","0.991","","","","has coordinates,has disorder","203565","2020-10-21","18:00:00",""
"7120914","19.7255","0.0005","35.2106","0.0008","16.071","0.0004","90","","100.706","0.002","90","","10967.8","0.5","15","","15","","","","","","","","","8","P 1 21/c 1","-P 2ybc","14","","","","- C29 H33 B2 F8 Fe N11 O2 S2 -","- C29 H33 B2 F8 Fe N11 O2 S2 -","- C348 H396 B24 F96 Fe12 N132 O24 S24 -","12","3","","Kulmaczewski, Rafal; Trzop, Elzbieta; Kershaw Cook, Laurence J.; Collet, Eric; CHASTANET, Guillaume; Halcrow, Malcolm","Role of Symmetry Breaking in the Structural Trapping of Light-Induced Excited Spin States","Chemical Communications","2017","","","","","10.1039/C7CC07990G","","x-ray","0.71073","MoKα","","0.0974","0.0566","","","0.106","0.1243","","","","","","1.017","","","","has coordinates","203565","2020-10-21","18:00:00",""
"7120915","19.5906","0.0003","12.3086","0.0002","15.6311","0.0002","90","","100.622","0.001","90","","3704.59","0.1","85","","85","","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C30 H33 B2 F8 Fe N11 S2 -","- C30 H33 B2 F8 Fe N11 S2 -","- C120 H132 B8 F32 Fe4 N44 S8 -","4","1","","Kulmaczewski, Rafal; Trzop, Elzbieta; Kershaw Cook, Laurence J.; Collet, Eric; CHASTANET, Guillaume; Halcrow, Malcolm","Role of Symmetry Breaking in the Structural Trapping of Light-Induced Excited Spin States","Chemical Communications","2017","","","","","10.1039/C7CC07990G","","x-ray","0.71073","MoKα","","0.0456","0.0336","","","0.0737","0.0791","","","","","","1.035","","","","has coordinates,has disorder","203565","2020-10-21","18:00:00",""
"7120916","20.2089","0.0003","11.8753","0.0002","15.6161","0.0003","90","","99.411","0.001","90","","3697.22","0.11","85","","85","","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C30 H33 B2 F8 Fe N11 S2 -","- C30 H33 B2 F8 Fe N11 S2 -","- C120 H132 B8 F32 Fe4 N44 S8 -","4","1","","Kulmaczewski, Rafal; Trzop, Elzbieta; Kershaw Cook, Laurence J.; Collet, Eric; CHASTANET, Guillaume; Halcrow, Malcolm","Role of Symmetry Breaking in the Structural Trapping of Light-Induced Excited Spin States","Chemical Communications","2017","","","","","10.1039/C7CC07990G","","x-ray","0.71073","MoKα","","0.0506","0.0376","","","0.086","0.0919","","","","","","1.058","","","","has coordinates","203565","2020-10-21","18:00:00",""
"7120917","5.9781","0.0015","12.919","0.002","22.346","0.004","90","","92.713","0.005","90","","1723.9","0.6","566","2","566","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C21 H17 N3 O -","- C21 H17 N3 O -","- C84 H68 N12 O4 -","4","1","","Zhai, Shengxian; Qiu, Shuxian; Chen, Xiaoming; Wu, Jiang; Zhao, Hua; Tao, Cheng; Li, Yun; Cheng, Bin; Wang, Huifei; Zhai, Hongbin","2-(1-Methylhydrazinyl)pyridine as a reductively removable directing group in a cobalt-catalyzed C(sp<sup>2</sup>)-H bond alkenylation/annulation cascade.","Chemical communications (Cambridge, England)","2017","54","1","98","101","10.1039/c7cc08533h","","","0.71073","MoKα","","0.1244","0.0942","","","0.2566","0.3197","","","","","","1.409","","","","has coordinates","228098","2020-10-21","18:00:00",""
"7120918","11.047","0.006","20.569","0.009","10.343","0.006","90","","114.101","0.017","90","","2145","2","566","2","566","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C27 H21 N3 O -","- C27 H21 N3 O -","- C108 H84 N12 O4 -","4","1","","Zhai, Shengxian; Qiu, Shuxian; Chen, Xiaoming; Wu, Jiang; Zhao, Hua; Tao, Cheng; Li, Yun; Cheng, Bin; Wang, Huifei; Zhai, Hongbin","2-(1-Methylhydrazinyl)pyridine as a reductively removable directing group in a cobalt-catalyzed C(sp<sup>2</sup>)-H bond alkenylation/annulation cascade.","Chemical communications (Cambridge, England)","2017","54","1","98","101","10.1039/c7cc08533h","","","0.71073","MoKα","","0.1069","0.0859","","","0.2497","0.2917","","","","","","1.183","","","","has coordinates","228098","2020-10-21","18:00:00",""
"7120920","29.8732","0.0014","7.1198","0.0004","20.6123","0.0011","90","","108.276","0.005","90","","4162.9","0.4","149.97","0.15","149.97","0.15","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C48 H104 Cl12 Co6 N6 S12 -","- C48 H104 Cl12 Co6 N6 S12 -","- C96 H208 Cl24 Co12 N12 S24 -","2","0.5","","Midya, Siba P.; Landge, Vinod G.; Sahoo, Manoj K.; Rana, Jagannath; Balaraman, Ekambaram","Cobalt-catalyzed acceptorless dehydrogenative coupling of aminoalcohols with alcohols: direct access to pyrrole, pyridine and pyrazine derivatives.","Chemical communications (Cambridge, England)","2017","54","1","90","93","10.1039/c7cc07427a","","x-ray","0.71073","MoKα","","0.1246","0.1044","","","0.2496","0.2632","","","","","","1.123","","","","has coordinates","228097","2020-10-21","18:00:00",""
"7120921","13.3986","0.0005","13.3986","0.0005","8.7112","0.0006","90","","90","","90","","1563.86","0.14","100","0.1","100","0.1","","","","","","","","5","I 4/m","-I 4","87","","","","- C24 H26 I4 N4 O5 -","- C24 H26 I4 N4 O5 -","- C48 H52 I8 N8 O10 -","2","0.125","","Kosiorek, Sandra; Rosa, Bartłomiej; Boinski, Tomasz; Butkiewicz, Helena; Szymański, Marek P.; Danylyuk, Oksana; Szumna, Agnieszka; Sashuk, Volodymyr","Pillar[4]pyridinium. A Square-Shaped Molecular Box","Chemical Communications","2017","","","","","10.1039/C7CC08562A","","","0.71073","MoKα","","0.0448","0.0394","","","0.0894","0.0916","","","","","","1.089","","","","has coordinates,has disorder","203651","2020-10-21","18:00:00",""
"7120922","7.6962","0.0003","11.6651","0.0004","19.3064","0.0007","90","","90","","90","","1733.27","0.11","100","0.1","100","0.1","","","","","","","","5","I m m m","-I 2 2","71","","","","- C24 H24 F24 N4 P4 -","- C24 H24 F24 N4 P4 -","- C48 H48 F48 N8 P8 -","2","0.125","","Kosiorek, Sandra; Rosa, Bartłomiej; Boinski, Tomasz; Butkiewicz, Helena; Szymański, Marek P.; Danylyuk, Oksana; Szumna, Agnieszka; Sashuk, Volodymyr","Pillar[4]pyridinium. A Square-Shaped Molecular Box","Chemical Communications","2017","","","","","10.1039/C7CC08562A","","","0.71073","MoKα","","0.0295","0.0291","","","0.0774","0.0776","","","","","","1.117","","","","has coordinates,has disorder","203651","2020-10-21","18:00:00",""
"7120923","24.8326","0.0016","33.3574","0.0016","18.3852","0.001","90","","90","","90","","15229.4","1.5","100","2","100","2","","","","","","","","5","C m c 21","C 2c -2","36","","","","- C66 H33 Cu6 N3 O30 -","- C66 H33 Cu6 N3 O30 -","- C264 H132 Cu24 N12 O120 -","4","0.5","","Sharma, Vivekanand; De, Dinesh; Saha, Ranajit; Das, Ranjita; Chattaraj, Pratim K.; Bharadwaj, Parimal K.","A Cu(II)-MOF Capable of Fixing CO2 From Air and Showing High Capacity H2 and CO2 Adsorption","Chemical Communications","2017","","","","","10.1039/C7CC08315G","","","0.71073","MoKα","","0.0949","0.0575","","","0.1392","0.1529","","","","","","1.007","","","","has coordinates","203652","2020-10-21","18:00:00",""
"7120926","9.8511","0.0011","22.745","0.002","9.8693","0.001","90","","92.166","0.002","90","","2209.8","0.4","170","2","170","2","","","","","","","synthesized","4","P 1 21/n 1","-P 2yn","14","","","","- C24 H39 Ni P -","- C24 H39 Ni P -","- C96 H156 Ni4 P4 -","4","1","","Zhu, Sha; Shoshani, Manar M.; Johnson, Samuel A.","Versatile (η6-arene)Ni(PCy3) nickel monophosphine precursors","Chemical Communications","2017","","","","","10.1039/C7CC08416A","","x-ray","0.71073","MoKα","","0.0457","0.0307","","","0.0624","0.0666","","","","","","1.056","","","","has coordinates,has disorder","203743","2020-10-21","18:00:00",""
"7120927","12.7379","0.0014","9.365","0.0011","21.99","0.003","90","","104.542","0.002","90","","2539.2","0.5","173","2","173","2","","","","","","","synthesized","4","P 1 21/c 1","-P 2ybc","14","","","","- C27 H45 Ni P -","- C27 H45 Ni P -","- C108 H180 Ni4 P4 -","4","1","","Zhu, Sha; Shoshani, Manar M.; Johnson, Samuel A.","Versatile (η6-arene)Ni(PCy3) nickel monophosphine precursors","Chemical Communications","2017","","","","","10.1039/C7CC08416A","","x-ray","0.71073","MoKα","","0.0778","0.0552","","","0.1351","0.1453","","","","","","1.144","","","","has coordinates","203743","2020-10-21","18:00:00",""
"7120928","8.6352","0.0005","9.7092","0.0006","15.6942","0.001","97.58","0.001","99.461","0.001","115.038","0.001","1145.68","0.12","135","2","135","2","","","","","","","synthesized","5","P -1","-P 1","2","","","","- C25 H41 Ni O P -","- C25 H41 Ni O P -","- C50 H82 Ni2 O2 P2 -","2","1","","Zhu, Sha; Shoshani, Manar M.; Johnson, Samuel A.","Versatile (η6-arene)Ni(PCy3) nickel monophosphine precursors","Chemical Communications","2017","","","","","10.1039/C7CC08416A","","x-ray","0.71073","MoKα","","0.0918","0.0638","","","0.0992","0.1095","","","","","","1.092","","","","has coordinates","203743","2020-10-21","18:00:00",""
"7120929","16.921","0.004","9.399","0.002","32.999","0.008","90","","99.99","0.004","90","","5169","2","170","2","170","2","","","","","","","synthesized","5","C 1 2/c 1","-C 2yc","15","","","","- C26 H37 F6 Ni P -","- C26 H37 F6 Ni P -","- C208 H296 F48 Ni8 P8 -","8","1","","Zhu, Sha; Shoshani, Manar M.; Johnson, Samuel A.","Versatile (η6-arene)Ni(PCy3) nickel monophosphine precursors","Chemical Communications","2017","","","","","10.1039/C7CC08416A","","x-ray","0.71073","MoKα","","0.0879","0.0434","","","0.076","0.0866","","","","","","1.034","","","","has coordinates","203743","2020-10-21","18:00:00",""
"7120930","8.6764","0.0006","9.5709","0.0007","15.6496","0.0011","96.519","0.002","99.003","0.002","115.531","0.002","1134.08","0.14","105","2","105","2","","","","","","","synthesized","4","P -1","-P 1","2","","","","- C25 H41 Ni P -","- C25 H41 Ni P -","- C50 H82 Ni2 P2 -","2","1","","Zhu, Sha; Shoshani, Manar M.; Johnson, Samuel A.","Versatile (η6-arene)Ni(PCy3) nickel monophosphine precursors","Chemical Communications","2017","","","","","10.1039/C7CC08416A","","x-ray","0.71073","MoKα","","0.0547","0.0337","","","0.0655","0.0719","","","","","","1.021","","","","has coordinates","203743","2020-10-21","18:00:00",""
"7120931","11.8792","0.0007","9.2062","0.0006","22.9722","0.0015","90","","104.181","0.001","90","","2435.7","0.3","173","2","173","2","","","","","","","synthesized","5","P 1 21/c 1","-P 2ybc","14","","","","- C25 H38 F3 Ni P -","- C25 H38 F3 Ni P -","- C100 H152 F12 Ni4 P4 -","4","1","","Zhu, Sha; Shoshani, Manar M.; Johnson, Samuel A.","Versatile (η6-arene)Ni(PCy3) nickel monophosphine precursors","Chemical Communications","2017","","","","","10.1039/C7CC08416A","","x-ray","0.71073","MoKα","","0.0562","0.036","","","0.0813","0.0904","","","","","","1.043","","","","has coordinates","203743","2020-10-21","18:00:00",""
"7120933","18.721","0.001","6.531","0.001","23.84","0.001","90","","128.652","0.016","90","","2276.4","0.6","100","2","100","2","","","","","","","","5","P 1 c 1","P -2yc","7","","BP-TPY","","- C27 H26 B N3 O2 -","- C27 H26 B N3 O2 -","- C108 H104 B4 N12 O8 -","4","2","","Sun, Qikun; Tang, Liangliang; Zhang, Zhenzhen; Zhang, Kai; Xie, Zongliang; Chi, Zhenguo; Zhang, Haichang; Yang, Wenjun","Bright NUV mechanofluorescence from a terpyridine-based pure organic crystal.","Chemical communications (Cambridge, England)","2017","54","1","94","97","10.1039/c7cc08064f","","","0.71073","MoKα","","0.0981","0.0651","","","0.1334","0.147","","","","","","0.983","","","","has coordinates","228100","2020-10-21","18:00:00",""
"7120935","9.499","0.0009","6.1878","0.0007","11.9593","0.0011","90","","103.735","0.002","90","","682.84","0.12","298","2","298","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C18 H13 F O2 -","- C18 H13 F O2 -","- C36 H26 F2 O4 -","2","1","","Zhou, Peng; Wang, Jia-Yin; Zhang, Tian-Shu; Li, Guigen; Hao, Wen-Juan; Tu, Shu-Jiang; Jiang, Bo","Thiazolium salt-catalyzed C-C triple bond cleavage for accessing substituted 1-naphthols via benzannulation.","Chemical communications (Cambridge, England)","2017","54","2","164","167","10.1039/c7cc08792f","","","0.71073","MoKα","","0.1019","0.0516","","","0.108","0.1241","","","","","","1.044","","","","has coordinates","228239","2020-10-21","18:00:00",""
"7120936","9.3531","0.0007","10.7592","0.0009","14.2252","0.0013","90","","98.868","0.002","90","","1414.4","0.2","298","2","298","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C17 H12 Cl N O2 -","- C17 H12 Cl N O2 -","- C68 H48 Cl4 N4 O8 -","4","1","","Zhou, Peng; Wang, Jia-Yin; Zhang, Tian-Shu; Li, Guigen; Hao, Wen-Juan; Tu, Shu-Jiang; Jiang, Bo","Thiazolium salt-catalyzed C-C triple bond cleavage for accessing substituted 1-naphthols via benzannulation.","Chemical communications (Cambridge, England)","2017","54","2","164","167","10.1039/c7cc08792f","","","0.71073","MoKα","","0.1916","0.0774","","","0.1557","0.1814","","","","","","1.052","","","","has coordinates","228239","2020-10-21","18:00:00",""
"7120957","12.4251","0.0005","12.4732","0.0004","14.0656","0.0005","90","","90","","90","","2179.9","0.14","290.64","0.1","290.64","0.1","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C27 H21 Br O4 -","- C27 H21 Br O4 -","- C108 H84 Br4 O16 -","4","1","","Zhang, Jianlin; Lin, Lili; He, Changqiang; Xiong, Qian; Liu, Xiaohua; Feng, Xiaoming","A chiral scandium-complex-catalyzed asymmetric inverse-electron-demand oxa-Diels-Alder reaction of o-quinone methides with fulvenes.","Chemical communications (Cambridge, England)","2017","54","1","74","77","10.1039/c7cc08124c","","x-ray","1.54184","CuKα","","0.0748","0.0695","","","0.1835","0.1938","","","","","","1.074","","","","has coordinates","228099","2020-10-21","18:00:00",""
"7120984","12.199","0.0017","13.1459","0.0016","13.2577","0.0018","70.801","0.006","79.133","0.006","76.956","0.006","1940.9","0.5","150","2","150","2","","","","","","","","7","P -1","-P 1","2","","","","- C38 H30 B F13 O4 S Te -","- C38 H30 B F13 O4 S Te -","- C76 H60 B2 F26 O8 S2 Te2 -","2","1","","Tsao, Fu An; Stephan, Douglas W.","Synthesis and reactions of 4H-1,4-telluraborine.","Chemical communications (Cambridge, England)","2017","54","2","208","211","10.1039/c7cc08765a","","","0.71073","MoKα","","0.0378","0.0291","","","0.0762","0.0916","","","","","","1.12","","","","has coordinates","228240","2020-10-21","18:00:00",""
"7120985","9.092","0.003","13.245","0.004","14.772","0.004","72.11","0.011","79.179","0.012","87.274","0.012","1662.7","0.9","150","2","150","2","","","","","","","","6","P -1","-P 1","2","","","","- C35 H24.5 B F10 O Te -","- C35 H24.5 B F10 O Te -","- C70 H49 B2 F20 O2 Te2 -","2","1","","Tsao, Fu An; Stephan, Douglas W.","Synthesis and reactions of 4H-1,4-telluraborine.","Chemical communications (Cambridge, England)","2017","54","2","208","211","10.1039/c7cc08765a","","","0.71073","MoKα","","0.0778","0.045","","","0.1049","0.121","","","","","","1.064","","","","has coordinates,has disorder","228240","2020-10-21","18:00:00",""
"7125163","18.67834","0.00016","21.44845","0.00018","21.13621","0.00017","90","","90","","90","","8467.62","0.12","120","2","120","2","","","","","","","","4","C c c a :2","-C 2a 2ac","68","","","","- C52 H58 Mn O -","- C52 H58 Mn O -","- C416 H464 Mn8 O8 -","8","0.5","","Sharpe, Helen R.; Geer, Ana M.; Williams, Huw E. L.; Blundell, Toby J.; Lewis, William; Blake, Alexander J.; Kays, Deborah L.","Cyclotrimerisation of isocyanates catalysed by low-coordinate Mn(ii) and Fe(ii) m-terphenyl complexes.","Chemical communications (Cambridge, England)","2017","53","5","937","940","10.1039/c6cc07243g","","x-ray","1.54184","CuKα","","0.0331","0.0301","","","0.0814","0.0839","","","","","","1.053","","","","has coordinates,has disorder","234567","2020-10-21","18:00:00",""
"7125164","18.6528","0.0002","43.7692","0.0005","10.50646","0.00011","90","","90","","90","","8577.66","0.16","120","2","120","2","","","","","","","","4","P n n a","-P 2a 2bc","52","","","","- C52 H58 Fe O -","- C52 H58 Fe O -","- C416 H464 Fe8 O8 -","8","1","","Sharpe, Helen R.; Geer, Ana M.; Williams, Huw E. L.; Blundell, Toby J.; Lewis, William; Blake, Alexander J.; Kays, Deborah L.","Cyclotrimerisation of isocyanates catalysed by low-coordinate Mn(ii) and Fe(ii) m-terphenyl complexes.","Chemical communications (Cambridge, England)","2017","53","5","937","940","10.1039/c6cc07243g","","x-ray","1.54184","CuKα","","0.0512","0.0456","","","0.1038","0.1067","","","","","","1.078","","","","has coordinates,has disorder","234567","2020-10-21","18:00:00",""
"7125165","5.8071","0.0004","27.443","0.002","12.2554","0.0008","90","","90","","90","","1953.1","0.2","120","2","120","2","","","","","","","","3","P n m a","-P 2ac 2n","62","","","","- C24 H25 I -","- C24 H25 I -","- C96 H100 I4 -","4","0.5","","Sharpe, Helen R.; Geer, Ana M.; Williams, Huw E. L.; Blundell, Toby J.; Lewis, William; Blake, Alexander J.; Kays, Deborah L.","Cyclotrimerisation of isocyanates catalysed by low-coordinate Mn(ii) and Fe(ii) m-terphenyl complexes.","Chemical communications (Cambridge, England)","2017","53","5","937","940","10.1039/c6cc07243g","","x-ray","1.54184","CuKα","","0.0534","0.0471","","","0.122","0.1261","","","","","","1.131","","","","has coordinates","234567","2020-10-21","18:00:00",""
"7125166","12.4731","0.0002","12.4731","0.0002","48.7421","0.0015","90","","90","","90","","7583.2","0.3","120","2","120","2","","","","","","","","3","P 43 21 2","P 4nw 2abw","96","","","","- C48 H50 Li2 -","- C48 H50 Li2 -","- C384 H400 Li16 -","8","1","","Sharpe, Helen R.; Geer, Ana M.; Williams, Huw E. L.; Blundell, Toby J.; Lewis, William; Blake, Alexander J.; Kays, Deborah L.","Cyclotrimerisation of isocyanates catalysed by low-coordinate Mn(ii) and Fe(ii) m-terphenyl complexes.","Chemical communications (Cambridge, England)","2017","53","5","937","940","10.1039/c6cc07243g","","x-ray","1.54184","CuKα","","0.0433","0.0375","","","0.0918","0.0951","","","","","","1.033","","","","has coordinates","234567","2020-10-21","18:00:00",""
"7125167","31.251","0.002","12.6345","0.001","16.0331","0.0012","90","","99.824","0.007","90","","6237.7","0.8","120","2","120","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C36 H42 N O3 -","- C36 H42 N O3 -","- C288 H336 N8 O24 -","8","1","","Sharpe, Helen R.; Geer, Ana M.; Williams, Huw E. L.; Blundell, Toby J.; Lewis, William; Blake, Alexander J.; Kays, Deborah L.","Cyclotrimerisation of isocyanates catalysed by low-coordinate Mn(ii) and Fe(ii) m-terphenyl complexes.","Chemical communications (Cambridge, England)","2017","53","5","937","940","10.1039/c6cc07243g","","x-ray","1.54184","CuKα","","0.1059","0.0587","","","0.138","0.1692","","","","","","1.039","","","","has coordinates,has disorder","234567","2020-10-21","18:00:00",""
"7125309","8.9953","0.0009","15.618","0.002","13.4715","0.0015","90","","103.827","0.012","90","","1837.7","0.4","293","2","296.15","","","","","","","","","7","P 1 21/n 1","-P 2yn","14","[Rh(MQ)(DMSO)2Cl2]","rhodium(III) complex","","- C14 H20 Cl2 N O3 Rh S2 -","- C14 H20 Cl2 N O3 Rh S2 -","- C56 H80 Cl8 N4 O12 Rh4 S8 -","4","1","","Zhang, Yun-Liang; Qin, Qi-Pin; Cao, Qian-Qian; Han, Hong-Hua; Liu, Zhu-Ling; Liu, Yan-Cheng; Liang, Hong; Chen, Zhen-Feng","Synthesis, crystal structure, cytotoxicity and action mechanism of a Rh(iii) complex with 8-hydroxy-2-methylquinoline as a ligand.","MedChemComm","2017","8","1","184","190","10.1039/c6md00462h","","x-ray","0.71073","MoKα","","0.1281","0.0956","","","0.2539","0.2872","","","","","","1.0663","","","","has coordinates","234770","2020-10-21","18:00:00",""
"7125310","53.688","0.007","53.688","0.007","53.688","0.007","90","","90","","90","","154750","3","296","2","296","2","","","","","","","","3","F m -3 c","-F 4a 2 3","226","","","","- O805 Sr48 U96 -","- O805 Rb18 Sr30 U96 -","- O6440 Rb144 Sr240 U768 -","8","0.0416667","","Falaise, Clément; Hickam, Sarah M.; Burns, Peter C.; Nyman, May","From aqueous speciation to supramolecular assembly in alkaline earth-uranyl polyoxometalates.","Chemical communications (Cambridge, England)","2017","53","69","9550","9553","10.1039/c7cc05357f","","","0.71073","MoKα","","0.1599","0.0757","","","0.1873","0.2359","","","","","","1.066","","","","has coordinates","235590","2020-10-21","18:00:00",""
"7125311","18.282","0.003","18.282","0.003","26.436","0.006","90","","90","","90","","8836","3","100","2","100","2","","","","","","","","4","I 4/m","-I 4","87","","","","- Ca6 Li8 O172 U24 -","- Ca6 Li8 O172 U24 -","- Ca12 Li16 O344 U48 -","2","0.125","","Falaise, Clément; Hickam, Sarah M.; Burns, Peter C.; Nyman, May","From aqueous speciation to supramolecular assembly in alkaline earth-uranyl polyoxometalates.","Chemical communications (Cambridge, England)","2017","53","69","9550","9553","10.1039/c7cc05357f","","","0.71073","MoKα","","0.0811","0.0644","","","0.1621","0.1731","","","","","","1.125","","","","has coordinates","235590","2020-10-21","18:00:00",""
"7125312","22.924","0.028","20.536","0.021","7.7158","0.0017","90","","90","","90","","3632","6","293","","293","","","","","","","","","6","C m c m","-C 2c 2","63","","","","- C32 H24 Cu F6 N4 Ti -","- C112 H96 Cu4 F14 N12 Ti -","- C448 H384 Cu16 F56 N48 Ti4 -","4","0.25","","Bajpai, Alankriti; O'Nolan, Daniel; Madden, David G.; Chen, Kai-Jie; Pham, Tony; Kumar, Amrit; Lusi, Matteo; Perry, John J.; Space, Brian; Zaworotko, Michael J.","The effect of centred versus offset interpenetration on C<sub>2</sub>H<sub>2</sub> sorption in hybrid ultramicroporous materials.","Chemical communications (Cambridge, England)","2017","53","84","11592","11595","10.1039/c7cc05882a","powder diffraction","x-ray","0.8262","","","","","","","","","0.96111","","5.79","","","","","","","has coordinates","235592","2020-10-21","18:00:00",""
"7125313","48.1642","0.0008","48.1642","0.0008","48.1642","0.0008","90","","90","","90","","111731","3","293","2","293","2","","","","","","","","5","F -4 3 c","F -4a 2 3","219","","","","- C24 H12 N3 Na2.58333 O6 -","- C24 H12 N3 Na2.58333 O6 -","- C2304 H1152 N288 Na248 O576 -","96","1","","Chen, Di-Ming; Tian, Jia-Yue; Wang, Zhuo-Wei; Liu, Chun-Sen; Chen, Min; Du, Miao","An anionic Na(i)-organic framework platform: separation of organic dyes and post-modification for highly sensitive detection of picric acid.","Chemical communications (Cambridge, England)","2017","53","77","10668","10671","10.1039/c7cc06073d","","","1.54184","CuKα","","0.1252","0.0954","","","0.2603","0.2877","","","","","","0.868","","","","has coordinates","290444","2024-03-12","09:55:30",""
"7125314","10.924","0.004","15.753","0.007","27.04","0.009","90","","90","","90","","4653","3","103","2","103","2","","","","","","","","5","C m c e","-C 2ac 2","64","","","","- C54 H66 B2 N4 O4 -","- C54 H66 B2 N4 O4 -","- C216 H264 B8 N16 O16 -","4","0.25","","Böhnke, Julian; Braunschweig, Holger; Deißenberger, Andrea; Dellermann, Theresa; Dewhurst, Rian D.; Jiménez-Halla, J Oscar C; Kachel, Stephanie; Kelch, Hauke; Prieschl, Dominic","Alkylideneborate zwitterions and C-C coupling by atypical diboration of electron-rich alkynes.","Chemical communications (Cambridge, England)","2017","53","89","12132","12135","10.1039/c7cc07409c","","","0.71073","MoKα","","0.0629","0.0456","","","0.1041","0.1123","","","","","","1.025","","","","has coordinates","235599","2020-10-21","18:00:00",""
"7125315","9.595","0.004","24.297","0.01","16.928","0.011","90","","106.09","0.02","90","","3792","3","100","2","100","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C42 H62 B2 F2 N4 -","- C42 H62 B2 F2 N4 -","- C168 H248 B8 F8 N16 -","4","1","","Böhnke, Julian; Braunschweig, Holger; Deißenberger, Andrea; Dellermann, Theresa; Dewhurst, Rian D.; Jiménez-Halla, J Oscar C; Kachel, Stephanie; Kelch, Hauke; Prieschl, Dominic","Alkylideneborate zwitterions and C-C coupling by atypical diboration of electron-rich alkynes.","Chemical communications (Cambridge, England)","2017","53","89","12132","12135","10.1039/c7cc07409c","","","0.71073","MoKα","","0.0548","0.0405","","","0.0942","0.1028","","","","","","1.023","","","","has coordinates","235599","2020-10-21","18:00:00",""
"7125316","9.198","0.002","10.869","0.002","16.114","0.004","97.766","0.014","102.763","0.008","100.085","0.008","1521.3","0.6","296","2","296","2","","","","","","","","5","P -1","-P 1","2","","","","- C32 H46 B2 Cl2 N2 -","- C32 H46 B2 Cl2 N2 -","- C64 H92 B4 Cl4 N4 -","2","1","","Böhnke, Julian; Braunschweig, Holger; Deißenberger, Andrea; Dellermann, Theresa; Dewhurst, Rian D.; Jiménez-Halla, J Oscar C; Kachel, Stephanie; Kelch, Hauke; Prieschl, Dominic","Alkylideneborate zwitterions and C-C coupling by atypical diboration of electron-rich alkynes.","Chemical communications (Cambridge, England)","2017","53","89","12132","12135","10.1039/c7cc07409c","","","0.71073","MoKα","","0.0397","0.0344","","","0.0923","0.0966","","","","","","1.052","","","","has coordinates","235599","2020-10-21","18:00:00",""
"7125317","12.362","0.003","12.362","0.003","38.073","0.007","90","","90","","90","","5818","2","100","2","100","2","","","","","","","","5","P 43 21 2","P 4nw 2abw","96","","","","- C30 H42 B2 Cl2 N2 -","- C30 H42 B2 Cl2 N2 -","- C240 H336 B16 Cl16 N16 -","8","1","","Böhnke, Julian; Braunschweig, Holger; Deißenberger, Andrea; Dellermann, Theresa; Dewhurst, Rian D.; Jiménez-Halla, J Oscar C; Kachel, Stephanie; Kelch, Hauke; Prieschl, Dominic","Alkylideneborate zwitterions and C-C coupling by atypical diboration of electron-rich alkynes.","Chemical communications (Cambridge, England)","2017","53","89","12132","12135","10.1039/c7cc07409c","","","0.71073","MoKα","","0.0348","0.0302","","","0.0695","0.0714","","","","","","1.062","","","","has coordinates","235599","2020-10-21","18:00:00",""
"7155325","7.3024","0.0006","8.6519","0.0008","8.9513","0.0006","77.266","0.002","86.338","0.002","88.215","0.002","550.42","0.08","100","1","100","1","","","","","","","","3","P -1","-P 1","2","","","","- C12 H18 O3 -","- C12 H18 O3 -","- C24 H36 O6 -","2","1","","Vayer, Marie; Fang, Weizhen; Guillot, Régis; Bezzenine-Lafollée, Sophie; Bour, Christophe; Gandon, Vincent","Acid-catalysed intramolecular addition of β-ketoesters to 1,3-dienes.","Organic & biomolecular chemistry","2017","15","3","584","588","10.1039/c6ob02122k","","x-ray","0.71073","MoKα","","0.0661","0.0429","","","0.1016","0.1137","","","","","","1.01","","","","has coordinates","191746","2020-10-21","18:00:00",""
"7155326","5.704","0.002","6.297","0.003","18.887","0.009","93.901","0.011","95.455","0.01","106.13","0.01","645.6","0.5","100","1","100","1","","","","","","","","3","P -1","-P 1","2","","","","- C14 H22 O3 -","- C14 H22 O3 -","- C28 H44 O6 -","2","1","","Vayer, Marie; Fang, Weizhen; Guillot, Régis; Bezzenine-Lafollée, Sophie; Bour, Christophe; Gandon, Vincent","Acid-catalysed intramolecular addition of β-ketoesters to 1,3-dienes.","Organic & biomolecular chemistry","2017","15","3","584","588","10.1039/c6ob02122k","","","0.71073","MoKα","","0.1448","0.0788","","","0.1943","0.2402","","","","","","0.989","","","","has coordinates","191746","2020-10-21","18:00:00",""
"7155340","9.9835","0.0014","12.2707","0.0016","23.46","0.003","90","","90","","90","","2874","0.7","296","2","296","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C31 H36 N2 O6 -","- C31 H36 N2 O6 -","- C124 H144 N8 O24 -","4","1","","Tan, Yu; Feng, Er-Lu; Sun, Qiang-Sheng; Lin, Hua; Sun, Xun; Lin, Guo-Qiang; Sun, Xing-Wen","Enantioselective synthesis of spirooxindole benzoquinolizines via organo-catalyzed cascade reactions.","Organic & biomolecular chemistry","2017","15","4","778","781","10.1039/c6ob02157c","","","1.54178","CuKα","","0.1975","0.189","","","0.3905","0.401","","","","","","1.778","","","","has coordinates","191731","2020-10-21","18:00:00",""
"7155341","22.0361","0.001","8.9726","0.0004","18.4215","0.0008","90","","98.967","0.003","90","","3597.8","0.3","296","2","296","2","","","","","","","","4","C 1 2 1","C 2y","5","","","","- C39 H44 N2 O7 -","- C39 H44 N2 O7 -","- C156 H176 N8 O28 -","4","1","","Tan, Yu; Feng, Er-Lu; Sun, Qiang-Sheng; Lin, Hua; Sun, Xun; Lin, Guo-Qiang; Sun, Xing-Wen","Enantioselective synthesis of spirooxindole benzoquinolizines via organo-catalyzed cascade reactions.","Organic & biomolecular chemistry","2017","15","4","778","781","10.1039/c6ob02157c","","","1.54178","CuKα","","0.1055","0.0977","","","0.2925","0.3097","","","","","","1.334","","","","has coordinates","191731","2020-10-21","18:00:00",""
"7155348","19.765","0.001","17.35","0.001","24.003","0.002","90","","90","","90","","8231.2","0.9","100","2","100","2","","","","","","","","4","P n m a","-P 2ac 2n","62","","","","- C70 H25 Br O5 -","- C70 H25.5 Br O5 -","- C560 H204 Br8 O40 -","8","1","","Khakina, Ekaterina A.; Kraevaya, Ol'ga A.; Popova, Maria L.; Peregudov, Alexander S.; Troyanov, Sergey I.; Chernyak, Alexander V.; Martynenko, Vyacheslav M.; Kulikov, Alexander V.; Schols, Dominique; Troshin, Pavel A.","Synthesis of different types of alkoxy fullerene derivatives from chlorofullerene C60Cl6.","Organic & biomolecular chemistry","2017","15","4","773","777","10.1039/c6ob02251k","","","0.88561","synchrotron","","0.2131","0.1041","","","0.2425","0.2686","","","","","","1.054","","","","has coordinates,has disorder","191733","2020-10-21","18:00:00",""
"7155386","8.8528","0.0007","10.3504","0.0008","14.1556","0.0011","91.588","0.005","107.369","0.004","115.303","0.013","1100.9","0.2","100","2","100","2","","","","","","","synthesis as described","4","P -1","-P 1","2","","","","- C22 H23 F3 O4 -","- C22 H23 F3 O4 -","- C44 H46 F6 O8 -","2","1","","Becerra-Figueroa, Liliana; Brun, Elodie; Mathieson, Michael; Farrugia, Louis J.; Wilson, Claire; Prunet, Joëlle; Gamba-Sánchez, Diego","Diastereoselective synthesis of trifluoromethylated 1,3-dioxanes by intramolecular oxa-Michael reaction.","Organic & biomolecular chemistry","2017","15","2","301","305","10.1039/c6ob02333a","","x-ray","0.71073","MoKα","","0.0511","0.0415","","","0.1157","0.1211","","","","","","1.07","","","","has coordinates","191725","2020-10-21","18:00:00",""
"7155387","8.898","0.003","26.042","0.007","9.427","0.002","90","","91.704","0.006","90","","2183.5","1","100","2","100","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C23 H24 F3 N O5 -","- C23 H24 F3 N O5 -","- C92 H96 F12 N4 O20 -","4","1","","Becerra-Figueroa, Liliana; Brun, Elodie; Mathieson, Michael; Farrugia, Louis J.; Wilson, Claire; Prunet, Joëlle; Gamba-Sánchez, Diego","Diastereoselective synthesis of trifluoromethylated 1,3-dioxanes by intramolecular oxa-Michael reaction.","Organic & biomolecular chemistry","2017","15","2","301","305","10.1039/c6ob02333a","","","0.71073","MoKα","","0.1229","0.078","","","0.1768","0.1978","","","","","","1.036","","","","has coordinates","191725","2020-10-21","18:00:00",""
"7155388","7.9939","0.0005","8.0488","0.0004","22.5543","0.0013","96.579","0.002","96.368","0.002","90.008","0.002","1432.6","0.14","296","2","296","2","","","","","","","","6","P 1","P 1","1","","","","- C16 H13 Br F N O2 -","- C16 H13 Br F N O2 -","- C64 H52 Br4 F4 N4 O8 -","4","4","","Zhang, Lijun; Zhang, Wenzhong; Mei, Haibo; Han, Jianlin; Soloshonok, Vadim A.; Pan, Yi","Catalytic asymmetric aldol addition reactions of 3-fluoro-indolinone derived enolates.","Organic & biomolecular chemistry","2017","15","2","311","315","10.1039/c6ob02454h","","","0.71073","MoKα","","0.0448","0.0365","","","0.0778","0.0809","","","","","","1.029","","","","has coordinates","191724","2020-10-21","18:00:00",""
"7155389","6.5505","0.0003","8.7111","0.0004","9.9103","0.0005","82.5366","0.0018","73.6985","0.0014","76.9181","0.0018","527.35","0.04","173","","173","","","","","","","","","5","P 1","P 1","1","","","","- C25 H20 Cl N O4 -","- C25 H20 Cl N O4 -","- C25 H20 Cl N O4 -","1","1","","Sengoku, Tetsuya; Kokubo, Kana; Sakamoto, Masami; Takahashi, Masaki; Yoda, Hidemi","Indium-catalysed amide allylation of α-iminoamide: highly enantioselective synthesis of amide functionalised α-methylene-γ-butyrolactams.","Organic & biomolecular chemistry","2017","15","2","320","323","10.1039/c6ob02506d","","","1.54178","","","0.0298","0.0297","","","0.0766","0.0768","","","","","","1.031","","","","has coordinates","191722","2020-10-21","18:00:00",""
"7155390","10.8152","0.0005","8.5569","0.0003","20.0431","0.0009","90","","95.275","0.004","90","","1847.02","0.14","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C22 H17 O P S -","- C22 H17 O P S -","- C88 H68 O4 P4 S4 -","4","1","","Wang, Dungai; Zhao, Jinlong; Xu, Weigang; Shao, Changwei; Shi, Zheng; Li, Liang; Zhang, Xinghua","Metal- and base-free reductive coupling reaction of P(O)-H with aryl/alkyl sulfonyl chlorides: a novel protocol for the construction of P-S-C bonds.","Organic & biomolecular chemistry","2017","15","3","545","549","10.1039/c6ob02364a","","","0.71073","MoKα","","0.0567","0.0418","","","0.1294","0.145","","","","","","1.008","","","","has coordinates","191738","2020-10-21","18:00:00",""
"7155391","7.5252","0.0007","24.2334","0.0017","15.7891","0.0016","90","","90.167","0.004","90","","2879.3","0.4","100","2","100","2","","","","","","","","5","I 1 2/m 1","-I 2y","12","","","","- C43 H9 F19 N4 O3 -","- C43 H9 F19 N4 O3 -","- C86 H18 F38 N8 O6 -","2","0.25","","Hewage, Nisansala; Zeller, Matthias; Brückner, Christian","Oxidations of chromene-annulated chlorins.","Organic & biomolecular chemistry","2017","15","2","396","407","10.1039/c6ob02395a","","","1.54178","CuKα","","0.1481","0.1288","","","0.3683","0.3961","","","","","","1.477","","","","has coordinates,has disorder","209173","2020-10-21","18:00:00",""
"7155392","13.7073","0.0006","13.9417","0.0006","41.647","0.002","90","","90.131","0.0016","90","","7958.8","0.6","100","2","100","2","","","","","","","","5","I 1 2/a 1","-I 2ya","15","","","","- C94 H30 F38 N8 O4 -","- C94 H30 F38 N8 O4 -","- C376 H120 F152 N32 O16 -","4","0.5","","Hewage, Nisansala; Zeller, Matthias; Brückner, Christian","Oxidations of chromene-annulated chlorins.","Organic & biomolecular chemistry","2017","15","2","396","407","10.1039/c6ob02395a","","","1.54178","CuKα","","0.0648","0.0581","","","0.1565","0.1602","","","","","","1.075","","","","has coordinates","191726","2020-10-21","18:00:00",""
"7155393","15.894","0.001","16.7789","0.001","18.4175","0.0011","79.362","0.002","69.996","0.002","65.955","0.002","4209","0.5","100","2","100","2","","","","","","","","7","P -1","-P 1","2","","","","- C45.79 H12.84 Cl1.3 F19 N4 O2 S1.14 -","- C45.786 H12.842 Cl1.302 F19 N4 O2 S1.135 -","- C183.144 H51.368 Cl5.208 F76 N16 O8 S4.54 -","4","2","","Hewage, Nisansala; Zeller, Matthias; Brückner, Christian","Oxidations of chromene-annulated chlorins.","Organic & biomolecular chemistry","2017","15","2","396","407","10.1039/c6ob02395a","","","1.54178","CuKα","","0.0466","0.0395","","","0.096","0.1018","","","","","","1.027","","","","has coordinates,has disorder","191726","2020-10-21","18:00:00",""
"7155394","6.1225","0.0006","16.4269","0.0015","15.5669","0.0014","90","","93.055","0.003","90","","1563.4","0.3","100","2","100","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C19 H16 N2 O3 -","- C19 H16 N2 O3 -","- C76 H64 N8 O12 -","4","1","","Xia, Chengcai; Wang, Kai; Xu, Jun; Shen, Chao; Sun, Di; Li, Hongshuang; Wang, Guodong; Zhang, Pengfei","Selective remote esterification of 8-aminoquinoline amides via copper(ii)-catalyzed C(sp(2))-O cross-coupling reaction.","Organic & biomolecular chemistry","2017","15","3","531","535","10.1039/c6ob02375d","","","0.71073","MoKα","","0.0636","0.0455","","","0.1248","0.139","","","","","","1.027","","","","has coordinates","191743","2020-10-21","18:00:00",""
"7155395","10.6177","0.0006","12.3153","0.0007","22.9275","0.0013","90","","91.573","0.004","90","","2996.9","0.3","100","2","100","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C60 H80 O12 Si2 -","- C60 H80 O12 Si2 -","- C120 H160 O24 Si4 -","2","1","","Bandara, Mithila D.; Yasomanee, Jagodige P.; Rath, Nigam P.; Pedersen, Christian M.; Bols, Mikael; Demchenko, Alexei V.","Conformationally superarmed S-ethyl glycosyl donors as effective building blocks for chemoselective oligosaccharide synthesis in one pot.","Organic & biomolecular chemistry","2017","15","3","559","563","10.1039/c6ob02498j","","","0.71073","MoKα","","0.1417","0.0616","","","0.1338","0.1714","","","","","","1.017","","","","has coordinates,has disorder","191745","2020-10-21","18:00:00",""
"7155396","9.6767","0.0004","13.4665","0.0005","25.2462","0.0007","90","","100.061","0.003","90","","3239.3","0.2","110.02","0.13","110.02","0.13","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C28 H42 N6 O8 -","- C28 H42 N6 O8 -","- C112 H168 N24 O32 -","4","1","","Van Mileghem, Seger; Egle, Brecht; Gilles, Philippe; Veryser, Cedrick; Van Meervelt, Luc; De Borggraeve, Wim M.","Carbonylation as a novel method for the assembly of pyrazine based oligoamide alpha-helix mimetics.","Organic & biomolecular chemistry","2017","15","2","373","378","10.1039/c6ob02358d","","x-ray","0.71073","MoKα","","0.0904","0.0618","","","0.1284","0.1448","","","","","","1.095","","","","has coordinates","191727","2020-10-21","18:00:00",""
"7155397","17.7469","0.0006","8.5054","0.0003","28.7562","0.001","90","","90","","90","","4340.6","0.3","120","","120","","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C19 H28 N6 O6 -","- C19 H28 N6 O6 -","- C152 H224 N48 O48 -","8","1","","Van Mileghem, Seger; Egle, Brecht; Gilles, Philippe; Veryser, Cedrick; Van Meervelt, Luc; De Borggraeve, Wim M.","Carbonylation as a novel method for the assembly of pyrazine based oligoamide alpha-helix mimetics.","Organic & biomolecular chemistry","2017","15","2","373","378","10.1039/c6ob02358d","","x-ray","0.71073","MoKα","","0.0652","0.053","","","0.1498","0.1607","","","","","","1.061","","","","has coordinates","191727","2020-10-21","18:00:00",""
"7155398","12.7749","0.0011","10.4901","0.001","9.508","0.0013","90","","90","","90","","1274.2","0.2","150","","150","","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C11 H17 N5 O2 -","- C11 H17 N5 O2 -","- C44 H68 N20 O8 -","4","1","","Van Mileghem, Seger; Egle, Brecht; Gilles, Philippe; Veryser, Cedrick; Van Meervelt, Luc; De Borggraeve, Wim M.","Carbonylation as a novel method for the assembly of pyrazine based oligoamide alpha-helix mimetics.","Organic & biomolecular chemistry","2017","15","2","373","378","10.1039/c6ob02358d","","x-ray","0.71073","MoKα","","0.0511","0.0393","","","0.0869","0.0945","","","","","","1.064","","","","has coordinates","191727","2020-10-21","18:00:00",""
"7155399","13.21","0.0006","14.3452","0.0006","14.9727","0.001","96.394","0.004","116.168","0.003","107.161","0.003","2334.7","0.2","298","2","298","2","","","","","","","","5","P -1","-P 1","2","","","","- C43 H58 Cl2 N6 O11 -","- C43 H58 Cl2 N6 O11 -","- C86 H116 Cl4 N12 O22 -","2","1","","Rubio, Omayra H.; Taouil, Rachid; Muñiz, Francisco M; Monleón, Laura M; Simón, Luis; Sanz, Francisca; Morán, Joaquín R","A molecular receptor selective for zwitterionic alanine.","Organic & biomolecular chemistry","2017","15","2","477","485","10.1039/c6ob02237e","","","1.54178","CuKα","","0.0896","0.0649","","","0.1879","0.2116","","","","","","1.047","","","","has coordinates","191723","2020-10-21","18:00:00",""
"7155400","13.2663","0.0006","14.226","0.0007","15.0088","0.0007","68.446","0.003","63.857","0.003","73.509","0.003","2339.6","0.2","298","2","298","2","","","","","","","","5","P 1","P 1","1","","","","- C43 H58 Cl2 N6 O11 -","- C43 H58 Cl2 N6 O11 -","- C86 H116 Cl4 N12 O22 -","2","2","","Rubio, Omayra H.; Taouil, Rachid; Muñiz, Francisco M; Monleón, Laura M; Simón, Luis; Sanz, Francisca; Morán, Joaquín R","A molecular receptor selective for zwitterionic alanine.","Organic & biomolecular chemistry","2017","15","2","477","485","10.1039/c6ob02237e","","","1.54178","CuKα","","0.0652","0.0593","","","0.1638","0.172","","","","","","1.049","","","","has coordinates","191723","2020-10-21","18:00:00",""
"7155401","12.8657","0.0004","14.2553","0.0004","14.8313","0.0004","95.487","0.002","114.669","0.002","107.436","0.002","2280.62","0.13","298","2","298","2","","","","","","","","5","P -1","-P 1","2","","","","- C42 H56 Cl2 N6 O11 -","- C42 H56 Cl2 N6 O11 -","- C84 H112 Cl4 N12 O22 -","2","1","","Rubio, Omayra H.; Taouil, Rachid; Muñiz, Francisco M; Monleón, Laura M; Simón, Luis; Sanz, Francisca; Morán, Joaquín R","A molecular receptor selective for zwitterionic alanine.","Organic & biomolecular chemistry","2017","15","2","477","485","10.1039/c6ob02237e","","","1.54178","CuKα","","0.063","0.0577","","","0.1616","0.1671","","","","","","1.028","","","","has coordinates","191723","2020-10-21","18:00:00",""
"7155402","10.8402","0.0018","10.9776","0.0018","11.4168","0.0019","90","","90","","90","","1358.6","0.4","293","2","293","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C15 H11 N O4 S -","- C15 H11 N O4 S -","- C60 H44 N4 O16 S4 -","4","1","","Wu, Hongxiang; Liu, Tingting; Cui, Ming; Li, Yue; Jian, Junsheng; Wang, Hui; Zeng, Zhuo","Rhodium-catalyzed C-H functionalization with N-acylsaccharins.","Organic & biomolecular chemistry","2017","15","3","536","540","10.1039/c6ob02526a","","","0.71073","MoKα","","0.0388","0.036","","","0.0868","0.0888","","","","","","1.071","","","","has coordinates","191735","2020-10-21","18:00:00",""
"7155403","13.5987","0.0002","7.2344","0.0001","13.7418","0.0002","90","","90","","90","","1351.9","0.03","150","","150","","","","","","","","","5","P b c n","-P 2n 2ab","60","","","","- C16 H10 Cl2 N2 O2 -","- C16 H10 Cl2 N2 O2 -","- C64 H40 Cl8 N8 O8 -","4","0.5","","Pereira, Raul; Pfeifer, Lukas; Fournier, Jean; Gouverneur, Véronique; Cvengroš, Ján","Twisting the ethano-Tröger's base: the bisamide.","Organic & biomolecular chemistry","2017","15","3","628","633","10.1039/c6ob02359b","","","1.5418","CuKα","","0.0287","0.0274","","0.0768","0.0748","0.0761","","","","","","1.0054","","","","has coordinates","191739","2020-10-21","18:00:00",""
"7155404","9.6458","0.0002","14.7532","0.0002","11.0237","0.0002","90","","109.373","0.0018","90","","1479.92","0.05","150","","150","","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C19 H18 N2 O -","- C19 H18 N2 O -","- C76 H72 N8 O4 -","4","1","","Pereira, Raul; Pfeifer, Lukas; Fournier, Jean; Gouverneur, Véronique; Cvengroš, Ján","Twisting the ethano-Tröger's base: the bisamide.","Organic & biomolecular chemistry","2017","15","3","628","633","10.1039/c6ob02359b","","","1.5418","CuKα","","0.0406","0.0382","","0.0984","0.0962","0.0984","","","","","","0.9881","","","","has coordinates","191739","2020-10-21","18:00:00",""
"7155405","7.3292","0.0001","19.7192","0.0003","10.6272","0.0002","90","","97.9329","0.0017","90","","1521.21","0.04","150","","150","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C18 H20 N2 O2 -","- C18 H20 N2 O2 -","- C72 H80 N8 O8 -","4","1","","Pereira, Raul; Pfeifer, Lukas; Fournier, Jean; Gouverneur, Véronique; Cvengroš, Ján","Twisting the ethano-Tröger's base: the bisamide.","Organic & biomolecular chemistry","2017","15","3","628","633","10.1039/c6ob02359b","","","1.5418","CuKα","","0.0557","0.0538","","0.1376","0.1358","0.1376","","","","","","0.9886","","","","has coordinates","191739","2020-10-21","18:00:00",""
"7155406","12.2306","0.0007","13.6348","0.0008","8.4844","0.0005","90","","93.658","0.001","90","","1411.99","0.14","99","2","99","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C18 H18 F2 N2 -","- C18 H18 F2 N2 -","- C72 H72 F8 N8 -","4","1","","Pereira, Raul; Pfeifer, Lukas; Fournier, Jean; Gouverneur, Véronique; Cvengroš, Ján","Twisting the ethano-Tröger's base: the bisamide.","Organic & biomolecular chemistry","2017","15","3","628","633","10.1039/c6ob02359b","","","0.71073","MoKα","","0.0447","0.0406","","","0.1138","0.1174","","","","","","1.033","","","","has coordinates","191739","2020-10-21","18:00:00",""
"7155407","7.3791","0.0001","12.5501","0.0002","7.4981","0.0001","90","","90","","90","","694.387","0.017","150","","150","","","","","","","","","4","P n c 2","P 2 -2bc","30","","","","- C18 H16 N2 O2 -","- C18 H16 N2 O2 -","- C36 H32 N4 O4 -","2","0.5","","Pereira, Raul; Pfeifer, Lukas; Fournier, Jean; Gouverneur, Véronique; Cvengroš, Ján","Twisting the ethano-Tröger's base: the bisamide.","Organic & biomolecular chemistry","2017","15","3","628","633","10.1039/c6ob02359b","","","1.5418","CuKα","","0.0253","0.0252","","0.0692","0.0691","0.0692","","","","","","1.0136","","","","has coordinates","191739","2020-10-21","18:00:00",""
"7155408","11.0208","0.0008","5.0952","0.0004","14.7276","0.0011","90","","103.403","0.006","90","","804.48","0.11","100","2","100","2","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C10 H17 Cl F6 N2 O6 -","- C10 H17 Cl F6 N2 O6 -","- C20 H34 Cl2 F12 N4 O12 -","2","1","","Kondratov, Ivan S.; Logvinenko, Ivan G.; Tolmachova, Nataliya A.; Morev, Roman N.; Kliachyna, Maria A.; Clausen, Florian; Daniliuc, Constantin G.; Haufe, Günter","Synthesis and physical chemical properties of 2-amino-4-(trifluoromethoxy)butanoic acid - a CF3O-containing analogue of natural lipophilic amino acids.","Organic & biomolecular chemistry","2017","15","3","672","679","10.1039/c6ob02436j","","","1.54178","CuKα","","0.1253","0.0918","","","0.1578","0.169","","","","","","1.191","","","","has coordinates","191741","2020-10-21","18:00:00",""
"7155409","7.6236","0.0002","6.9169","0.0002","26.9337","0.0007","90","","95.617","0.001","90","","1413.44","0.07","150","","150","","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C17 H18 O3 -","- C17 H18 O3 -","- C68 H72 O12 -","4","1","","Lin, Mei-Huey; Chen, Yu-Chun; Chiu, Shih-Hao; Liang, Kung-Yu; Lee, Yi-Lin; Chuang, Tsung-Hsun","Stereoselective preparation of conjugated (Z)-1,3-enynes by dehydration reactions of allenic bromohydrins and the use of the enynes in base-mediated tandem allylation ene-carbocyclization reactions with β-ketoesters.","Organic & biomolecular chemistry","2017","15","3","605","609","10.1039/c6ob02178f","","","0.71073","MoKα","","0.0442","0.0406","","","0.1393","0.1449","","","","","","1.137","","","","has coordinates","191747","2020-10-21","18:00:00",""
"7155410","7.5076","0.0006","7.9269","0.0006","13.2339","0.001","94.761","0.004","94.576","0.004","98.12","0.004","773.64","0.1","150","","150","","","","","","","","","4","P 1","P 1","1","","","","- C17 H17 Br O3 -","- C17 H17 Br O3 -","- C34 H34 Br2 O6 -","2","2","","Lin, Mei-Huey; Chen, Yu-Chun; Chiu, Shih-Hao; Liang, Kung-Yu; Lee, Yi-Lin; Chuang, Tsung-Hsun","Stereoselective preparation of conjugated (Z)-1,3-enynes by dehydration reactions of allenic bromohydrins and the use of the enynes in base-mediated tandem allylation ene-carbocyclization reactions with β-ketoesters.","Organic & biomolecular chemistry","2017","15","3","605","609","10.1039/c6ob02178f","","","0.71073","MoKα","","0.0336","0.0303","","","0.0951","0.0989","","","","","","0.763","","","","has coordinates","203412","2020-10-21","18:00:00",""
"7155411","4.3644","0.0003","15.4436","0.001","7.821","0.0006","90","","99.674","0.005","90","","519.66","0.06","150","","150","","","","","","","","","3","P 1 21 1","P 2yb","4","","","","- C11 H8 Br2 -","- C11 H8 Br2 -","- C22 H16 Br4 -","2","1","","Lin, Mei-Huey; Chen, Yu-Chun; Chiu, Shih-Hao; Liang, Kung-Yu; Lee, Yi-Lin; Chuang, Tsung-Hsun","Stereoselective preparation of conjugated (Z)-1,3-enynes by dehydration reactions of allenic bromohydrins and the use of the enynes in base-mediated tandem allylation ene-carbocyclization reactions with β-ketoesters.","Organic & biomolecular chemistry","2017","15","3","605","609","10.1039/c6ob02178f","","","0.71073","MoKα","","0.0451","0.0419","","","0.1405","0.1476","","","","","","0.671","","","","has coordinates","191747","2020-10-21","18:00:00",""
"7155412","7.0321","0.00018","8.4501","0.0002","40.7561","0.0011","90","","90","","90","","2421.81","0.11","150","2","150","0.1","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","N-acetyl octahydroindole-2-carboxylic acid methyl ester","methyl (2S,3aS,7aS)-1-acetyloctahydro-1H-indole-2-carboxylate","","- C12 H19 N O3 -","- C12 H19 N O3 -","- C96 H152 N8 O24 -","8","2","","Kubyshkin, Vladimir; Budisa, Nediljko","Construction of a polyproline structure with hydrophobic exterior using octahydroindole-2-carboxylic acid.","Organic & biomolecular chemistry","2017","15","3","619","627","10.1039/c6ob02306a","","x-ray","1.54184","CuKα","","0.0344","0.0333","","","0.0831","0.084","","","","","","1.083","","","","has coordinates","191740","2020-10-21","18:00:00",""
"7155413","23.5858","0.0012","19.6801","0.0008","15.1629","0.0011","90","","90","","90","","7038.2","0.7","150","2","150","0.1","","","","","","","","5","P 21 21 2","P 2 2ab","18","","N-para-Bromobenzoyl hexa-octahydroindole-2-carboxylic acid amide","","- C61 H81 Br N7 O7 -","- C61 H81 Br N7 O7 -","- C244 H324 Br4 N28 O28 -","4","1","","Kubyshkin, Vladimir; Budisa, Nediljko","Construction of a polyproline structure with hydrophobic exterior using octahydroindole-2-carboxylic acid.","Organic & biomolecular chemistry","2017","15","3","619","627","10.1039/c6ob02306a","","x-ray","1.54184","CuKα","","0.0995","0.0702","","","0.1624","0.186","","","","","","0.986","","","","has coordinates,has disorder","191740","2020-10-21","18:00:00",""
"7155414","6.2188","0.0009","9.282","0.0013","25.561","0.004","90","","90","","90","","1475.5","0.4","293","2","293","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C13 H23 N O4 -","- C13 H23 N O4 -","- C52 H92 N4 O16 -","4","1","","Si, Chang-Mei; Shao, Lu-Ping; Mao, Zhuo-Ya; Zhou, Wen; Wei, Bang-Guo","An efficient approach to trans-4-hydroxy-5-substituted 2-pyrrolidinones through a stereoselective tandem Barbier process: divergent syntheses of (3R,4S)-statines, (+)-preussin and (-)-hapalosin.","Organic & biomolecular chemistry","2017","15","3","649","661","10.1039/c6ob02523d","","","0.71073","MoKα","","0.0519","0.044","","","0.1025","0.1062","","","","","","1.034","","","","has coordinates","191744","2020-10-21","18:00:00",""
"7155415","15.968","0.002","9.5866","0.0012","26.313","0.003","90","","104.893","0.002","90","","3892.7","0.8","130","","130","","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C20 H18 Br2 N4 O -","- C20 H18 Br2 N4 O -","- C160 H144 Br16 N32 O8 -","8","1","","Sun, Yuan-Ming; Yu, Liu-Zhu; Zhu, Zi-Zhong; Hu, Xu-Bo; Gao, Yu-Ning; Shi, Min","Electronic halocyclization and radical haloazidation of benzene-linked 1,7-dienes for the synthesis of functionalized 3,1-benzoxazines.","Organic & biomolecular chemistry","2017","15","3","634","639","10.1039/c6ob02566h","","","0.71073","MoKα","","0.0663","0.04","","","0.089","0.0974","","","","","","1.024","","","","has coordinates","191736","2020-10-21","18:00:00",""
"7155416","14.7029","0.0005","5.8234","0.0002","22.2875","0.0007","90","","109.218","0.0017","90","","1801.93","0.11","296","2","296","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C24 H20 N2 O2 -","- C24 H20 N2 O2 -","- C96 H80 N8 O8 -","4","1","","Muthukumar, Alagesan; Sekar, Govindasamy","Zinc-catalyzed chemoselective alkylation of α-keto amides with 2-alkylazaarenes.","Organic & biomolecular chemistry","2017","15","3","691","700","10.1039/c6ob02432g","","","0.71073","MoKα","","0.0547","0.0364","","","0.0872","0.1006","","","","","","1.029","","","","has coordinates","191737","2020-10-21","18:00:00",""
"7155417","10.6354","0.0007","10.7608","0.0007","11.0786","0.0007","66.546","0.003","66.529","0.002","84.182","0.003","1064.44","0.12","296","2","296","2","","","","","","","","4","P -1","-P 1","2","","","","- C26 H22 N2 O3 -","- C26 H22 N2 O3 -","- C52 H44 N4 O6 -","2","1","","Muthukumar, Alagesan; Sekar, Govindasamy","Zinc-catalyzed chemoselective alkylation of α-keto amides with 2-alkylazaarenes.","Organic & biomolecular chemistry","2017","15","3","691","700","10.1039/c6ob02432g","","","0.71073","MoKα","","0.0554","0.0418","","","0.1052","0.116","","","","","","1.031","","","","has coordinates","191737","2020-10-21","18:00:00",""
"7155418","15.7235","0.0004","7.2386","0.0002","25.4616","0.0007","90","","96.401","0.003","90","","2879.87","0.14","100.01","0.1","100","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","13-(Trifluoromethyl)benzo[4,5]imidazo[1,2-a][1,10]phenanthroline","","- C19 H10 F3 N3 -","- C19 H10 F3 N3 -","- C152 H80 F24 N24 -","8","2","","Borges da Silva, Ramon; Teixeira, Rodolfo Inêz; Wardell, James L.; Wardell, Solange M. S. V.; Garden, Simon J.","Copper(ii) catalyzed synthesis of novel helical luminescent benzo[4,5]imidazo[1,2-a][1,10]phenanthrolines via an intramolecular C-H amination reaction.","Organic & biomolecular chemistry","2017","15","4","812","826","10.1039/c6ob02508k","","","0.71073","MoKα","","0.0738","0.0532","","","0.1128","0.1223","","","","","","1.062","","","","has coordinates","202518","2020-10-21","18:00:00",""
"7155419","4.7845","0.0014","7.017","0.002","21.72","0.006","90","","92.133","0.004","90","","728.7","0.4","150","","150.15","","","","","","","","","4","P 1 c 1","P -2yc","7","","N-(1-methyl-1H-indol-3-yl)-2-(4-nitrophenyl)acetamide","","- C17 H15 N3 O3 -","- C17 H15 N3 O3 -","- C34 H30 N6 O6 -","2","1","","Reekie, Tristan A.; Wilkinson, Shane M.; Law, Vivian; Hibbs, David E.; Ong, Jennifer A.; Kassiou, Michael","Rapid access to N-(indol-2-yl)amides and N-(indol-3-yl)amides as unexplored pharmacophores.","Organic & biomolecular chemistry","2017","15","3","576","580","10.1039/c6ob02622b","","","0.71073","","","0.065","0.0395","","","0.0674","0.0754","","","","","","1.041","","","","has coordinates","191742","2020-10-21","18:00:00",""
"7155420","7.8745","0.0017","19.699","0.004","21.755","0.005","90","","90","","90","","3374.6","1.3","293","2","293","2","","","","","","","see text","5","P b c a","-P 2ac 2ab","61","","","","- C20 H16 Cl N O2 -","- C20 H16 Cl N O2 -","- C160 H128 Cl8 N8 O16 -","8","1","","Chauhan, Parul; Ravi, Makthala; Kant, Ruchir; Yadav, Prem P.","Oxidative coupling of 1-(2-methyl-4-phenylquinolin-3-yl)ethanone with ethanol and unexpected deacetylative synthesis of 3-hydroxy quinoline.","Organic & biomolecular chemistry","2017","15","5","1080","1085","10.1039/c6ob02336c","","","0.71075","MoKα","","0.0728","0.0469","","","0.107","0.1126","","","","","","0.879","","","","has coordinates","211179","2020-10-21","18:00:00",""
"7155421","22.805","0.006","8.174","0.002","24","0.006","90","","90","","90","","4474","2","150","2","150","2","","","","","","","","3","P b c a","-P 2ac 2ab","61","","","","- C32 H24 N2 -","- C32 H24 N2 -","- C256 H192 N16 -","8","1","","Inamdar, Suleman M.; Gonnade, Rajesh G.; Patil, Nitin T.","Synthesis of annulated bis-indoles through Au(i)/Brønsted acid-catalyzed reactions of (1H-indol-3-yl)(aryl)methanols with 2-(arylethynyl)-1H-indoles.","Organic & biomolecular chemistry","2017","15","4","863","869","10.1039/c6ob02595a","","","0.71073","MoKα","","0.0886","0.067","","","0.1263","0.1348","","","","","","1.143","","","","has coordinates","191729","2020-10-21","18:00:00",""
"7155422","9.5678","0.0005","12.3013","0.0007","15.5374","0.0009","90","","101.71","0.001","90","","1790.64","0.17","130","","130","","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C15 H19 I2 N O2 S -","- C15 H19 I2 N O2 S -","- C60 H76 I8 N4 O8 S4 -","4","1","","Wang, Ruijia; OuYang, Yuejun; Xu, Chonghui; Yi, Niannian; Jiang, Jun; Deng, Wei; Zeng, Zebing; Xiang, Jiannan","Hypervalent iodine-triggered transformation of homopropargyl sulfonamides into dihalo-2,3-dihydropyrroles.","Organic & biomolecular chemistry","2017","15","4","796","800","10.1039/c6ob02536f","","","0.71073","MoKα","","0.0257","0.0214","","","0.0511","0.0527","","","","","","1.098","","","","has coordinates","191732","2020-10-21","18:00:00",""
"7155423","14.4101","0.0002","11.66149","0.00018","15.7982","0.0002","90","","105.348","0.0016","90","","2560.1","0.07","150","2","150","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C25 H16 F16 N2 O2 -","- C25 H16 F16 N2 O2 -","- C100 H64 F64 N8 O8 -","4","1","","Emerson-King, Jack; Hauser, Simone A.; Chaplin, Adrian B.","C-F bond activation of perfluorinated arenes by a bioxazoline-derived N-heterocyclic carbene.","Organic & biomolecular chemistry","2017","15","4","787","789","10.1039/c6ob02556k","","x-ray","0.71073","MoKα","","0.0589","0.0447","","","0.1273","0.1414","","","","","","1.035","","","","has coordinates,has disorder","191728","2020-10-21","18:00:00",""
"7155424","10.5528","0.001","18.834","0.0017","8.051","0.0008","90","","110.027","0.002","90","","1503.4","0.2","100","2","100","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C20 H13 N3 O -","- C20 H13 N3 O -","- C80 H52 N12 O4 -","4","1","","Qiao, Rui; Ye, Leping; Hu, Kun; Yu, Shuling; Yang, Weiguang; Liu, Miaochang; Chen, Jiuxi; Ding, Jinchang; Wu, Huayue","Copper-catalyzed C-O bond cleavage and cyclization: synthesis of indazolo[3,2-b]quinazolinones.","Organic & biomolecular chemistry","2017","15","10","2168","2173","10.1039/c6ob02352e","","","0.71073","MoKα","","0.0389","0.0349","","","0.0969","0.0996","","","","","","1.054","","","","has coordinates","195164","2020-10-21","18:00:00",""
"7155425","9.8525","0.001","11.9699","0.0013","12.0037","0.0013","83.402","0.002","88.727","0.002","75.661","0.002","1362.4","0.3","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","","","- C31 H27 Cl N4 O5 -","- C31 H27 Cl N4 O5 -","- C62 H54 Cl2 N8 O10 -","2","1","","Zhu, Yan-Shuo; Wang, Wen-Bo; Yuan, Bei-Bei; Li, Ya-Ning; Wang, Qi-Lin; Bu, Zhan-Wei","A DBU-catalyzed Michael-Pinner-isomerization cascade reaction of 3-hydroxyoxindoles with isatylidene malononitriles: access to highly functionalized bispirooxindoles containing a fully substituted dihydrofuran motif.","Organic & biomolecular chemistry","2017","15","4","984","990","10.1039/c6ob02254e","","","0.71073","MoKα","","0.0784","0.0691","","","0.1856","0.1949","","","","","","1.037","","","","has coordinates","191734","2020-10-21","18:00:00",""
"7155426","24.4406","0.0008","4.3182","0.0002","11.0826","0.0004","90","","90","","90","","1169.65","0.08","298","2","298","2","","","","","","","","4","P c a 21","P 2c -2ac","29","","","","- C16 H10 N2 O -","- C16 H10 N2 O -","- C64 H40 N8 O4 -","4","1","","Deng, Zhongfu; Peng, Xiangjun; Huang, Panpan; Jiang, Lili; Ye, Dongnai; Liu, Liangxian","A multifunctionalized strategy of indoles to C2-quaternary indolin-3-ones via a TEMPO/Pd-catalyzed cascade process.","Organic & biomolecular chemistry","2017","15","2","442","448","10.1039/c6ob02285e","","","0.71073","MoKα","","0.1002","0.0397","","","0.0557","0.0649","","","","","","0.831","","","","has coordinates","189873","2020-10-21","18:00:00",""
"7155427","9.344","0.003","22.993","0.007","16.649","0.005","90","","90","","90","","3577","1.9","298","2","298","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","N-(2,6-dimethylphenyl)-2-(N-(prop-2-yn-1-yl)acetamido)pentanamide","","- C18 H24 N2 O2 -","- C18 H24 N2 O2 -","- C144 H192 N16 O16 -","8","1","","Icelo-Ávila, Estefanía; Amador-Sánchez, Yoarhy A; Polindara-García, Luis A; Miranda, Luis D.","Synthesis of 6-methyl-3,4-dihydropyrazinones using an Ugi 4-CR/allenamide cycloisomerization protocol.","Organic & biomolecular chemistry","2017","15","2","360","372","10.1039/c6ob02266a","","","0.71073","MoKα","","0.1588","0.0763","","","0.1767","0.2355","","","","","","1.001","","","","has coordinates","189874","2020-10-21","18:00:00",""
"7155428","7.2997","0.0003","8.7192","0.0003","27.1071","0.0011","90","","97.636","0.001","90","","1710","0.12","298","2","298","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","4-Acetyl-1-(2,6-dimethylphenyl)-6-methyl-3-propyl-3,4-dihydropyrazin-2(1H)-one","","- C18 H24 N2 O2 -","- C18 H24 N2 O2 -","- C72 H96 N8 O8 -","4","1","","Icelo-Ávila, Estefanía; Amador-Sánchez, Yoarhy A; Polindara-García, Luis A; Miranda, Luis D.","Synthesis of 6-methyl-3,4-dihydropyrazinones using an Ugi 4-CR/allenamide cycloisomerization protocol.","Organic & biomolecular chemistry","2017","15","2","360","372","10.1039/c6ob02266a","","","0.71073","MoKα","","0.0708","0.0472","","","0.1161","0.131","","","","","","1.035","","","","has coordinates","189874","2020-10-21","18:00:00",""
"7155429","8.2348","0.0007","26.914","0.002","8.2642","0.0007","90","","108.859","0.002","90","","1733.3","0.2","298","2","298","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","2-(2,6-Dimethylphenyl)-1,4-dimethylpyrazino[2,1-a]isoindole-3,6(2H,4H)-dione","","- C21 H20 N2 O2 -","- C21 H20 N2 O2 -","- C84 H80 N8 O8 -","4","1","","Icelo-Ávila, Estefanía; Amador-Sánchez, Yoarhy A; Polindara-García, Luis A; Miranda, Luis D.","Synthesis of 6-methyl-3,4-dihydropyrazinones using an Ugi 4-CR/allenamide cycloisomerization protocol.","Organic & biomolecular chemistry","2017","15","2","360","372","10.1039/c6ob02266a","","","0.71073","MoKα","","0.0664","0.0532","","","0.1406","0.1508","","","","","","1.07","","","","has coordinates","189874","2020-10-21","18:00:00",""
"7155430","14.0741","0.0005","8.4735","0.0003","16.5267","0.0006","90","","115.019","0.001","90","","1785.99","0.11","296","2","296","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","2-Benzyl-4-isopropyl-1-methylpyrazino[2,1-a]isoindole-3,6(2H,4H)-dione","","- C22 H22 N2 O2 -","- C22 H22 N2 O2 -","- C88 H88 N8 O8 -","4","1","","Icelo-Ávila, Estefanía; Amador-Sánchez, Yoarhy A; Polindara-García, Luis A; Miranda, Luis D.","Synthesis of 6-methyl-3,4-dihydropyrazinones using an Ugi 4-CR/allenamide cycloisomerization protocol.","Organic & biomolecular chemistry","2017","15","2","360","372","10.1039/c6ob02266a","","","0.71073","MoKα","","0.0499","0.0409","","","0.1019","0.1081","","","","","","1.04","","","","has coordinates","189874","2020-10-21","18:00:00",""
"7155431","5.5345","0.0009","10.8618","0.0018","14.707","0.002","90","","99.962","0.007","90","","870.8","0.2","293.15","","293.15","","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C16 H17 Br O7 -","- C16 H17 Br O7 -","- C32 H34 Br2 O14 -","2","1","","Li, Ji-Yao; Yu, Ke-Wei; Xie, Chao-Chao; Liu, Yan-Kai","Lactols in an asymmetric aldol-desymmetrization sequence: access to tetrahydro-4H-furo[2,3-b]pyran-2-one and tetrahydro-4H-furo[2,3-b]furan-2-one derivatives.","Organic & biomolecular chemistry","2017","15","6","1407","1417","10.1039/c6ob02420c","","","1.54184","CuKα","","0.041","0.0392","","","0.1042","0.1058","","","","","","1.053","","","","has coordinates","193894","2020-10-21","18:00:00",""
"7155432","6.8501","0.0005","22.11","0.0015","9.826","0.0007","90","","99.315","0.002","90","","1468.58","0.18","293","2","293","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C16 H16 Cl2 O4 -","- C16 H16 Cl2 O4 -","- C64 H64 Cl8 O16 -","4","1","","Mohan Raj, Radhakrishnan; Balasubramanian, Kalpattu K.; Easwaramoorthy, Deivanayagam","Diels-Alder trapping of in situ generated dienes from 3,4-dihydro-2H-pyran with p-quinone catalysed by p-toluenesulfonic acid.","Organic & biomolecular chemistry","2017","15","5","1115","1121","10.1039/c6ob02006b","","","0.71073","MoKα","","0.0399","0.0336","","","0.0854","0.0899","","","","","","1.027","","","","has coordinates","191748","2020-10-21","18:00:00",""
"7155433","5.945","0.005","18.659","0.005","7.352","0.005","90","0.005","103.111","0.005","90","0.005","794.3","0.9","293","2","293","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C16 H20 Cl2 O4 -","- C16 H20 Cl2 O4 -","- C32 H40 Cl4 O8 -","2","0.5","","Mohan Raj, Radhakrishnan; Balasubramanian, Kalpattu K.; Easwaramoorthy, Deivanayagam","Diels-Alder trapping of in situ generated dienes from 3,4-dihydro-2H-pyran with p-quinone catalysed by p-toluenesulfonic acid.","Organic & biomolecular chemistry","2017","15","5","1115","1121","10.1039/c6ob02006b","","","0.71073","MoKα","","0.0313","0.0282","","","0.0675","0.0698","","","","","","1.058","","","","has coordinates","191748","2020-10-21","18:00:00",""
"7155434","11.734","0.005","7.397","0.005","12.645","0.005","90","0.005","107.317","0.005","90","0.005","1047.8","0.9","293","2","293","2","","","","","","","","3","P 1 21 1","P 2yb","4","","","","- C23 H32 O5 -","- C23 H32 O5 -","- C46 H64 O10 -","2","1","","Mohan Raj, Radhakrishnan; Balasubramanian, Kalpattu K.; Easwaramoorthy, Deivanayagam","Diels-Alder trapping of in situ generated dienes from 3,4-dihydro-2H-pyran with p-quinone catalysed by p-toluenesulfonic acid.","Organic & biomolecular chemistry","2017","15","5","1115","1121","10.1039/c6ob02006b","","","0.71073","MoKα","","0.0809","0.0591","","","0.1732","0.1932","","","","","","1.049","","","","has coordinates,has disorder","191748","2020-10-21","18:00:00",""
"7155435","8.7034","0.0004","9.1817","0.0004","16.3996","0.0009","92.963","0.003","104.082","0.003","117.611","0.002","1105.57","0.1","293","2","293","2","","","","","","","","3","P -1","-P 1","2","","","","- C26 H32 O5 -","- C26 H32 O5 -","- C52 H64 O10 -","2","1","","Mohan Raj, Radhakrishnan; Balasubramanian, Kalpattu K.; Easwaramoorthy, Deivanayagam","Diels-Alder trapping of in situ generated dienes from 3,4-dihydro-2H-pyran with p-quinone catalysed by p-toluenesulfonic acid.","Organic & biomolecular chemistry","2017","15","5","1115","1121","10.1039/c6ob02006b","","","0.71073","MoKα","","0.0778","0.072","","","0.1832","0.1857","","","","","","1.124","","","","has coordinates","191748","2020-10-21","18:00:00",""
"7155436","6.9645","0.0014","14.893","0.003","14.57","0.003","90","","101.19","0.03","90","","1482.5","0.5","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C16 H18 Br N O2 -","- C16 H18 Br N O2 -","- C64 H72 Br4 N4 O8 -","4","1","","Chen, Pengquan; Zhu, Chuanle; Zhu, Rui; Lin, Zhiming; Wu, Wanqing; Jiang, Huanfeng","Synthesis of 3-azabicyclo[3.1.0]hexane derivatives via palladium-catalyzed cyclopropanation of maleimides with N-tosylhydrazones: practical and facile access to CP-866,087.","Organic & biomolecular chemistry","2017","15","5","1228","1235","10.1039/c6ob02137a","","","0.71073","MoKα","","0.0774","0.0396","","","0.0845","0.1299","","","","","","1.153","","","","has coordinates","191750","2020-10-21","18:00:00",""
"7155437","8.8657","0.0018","11.708","0.002","13.548","0.003","90","","90","","90","","1406.3","0.5","293","2","293","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C16 H19 N O2 -","- C16 H19 N O2 -","- C64 H76 N4 O8 -","4","1","","Chen, Pengquan; Zhu, Chuanle; Zhu, Rui; Lin, Zhiming; Wu, Wanqing; Jiang, Huanfeng","Synthesis of 3-azabicyclo[3.1.0]hexane derivatives via palladium-catalyzed cyclopropanation of maleimides with N-tosylhydrazones: practical and facile access to CP-866,087.","Organic & biomolecular chemistry","2017","15","5","1228","1235","10.1039/c6ob02137a","","","0.71073","MoKα","","0.0972","0.0585","","","0.1521","0.2084","","","","","","1.04","","","","has coordinates","191750","2020-10-21","18:00:00",""
"7155438","7.25647","0.00018","13.0278","0.0004","17.2343","0.0005","90","","90","","90","","1629.26","0.08","100","","100","","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","(P)-(+)-2-Aza(6)helicene","(P)-(+)-Benzo(5,6)phenanthro(3,4-h)isoquinoline","","- C25 H15 N -","- C25 H15 N -","- C100 H60 N4 -","4","1","","Matsumoto, Arimasa; Yonemitsu, Kento; Ozaki, Hanae; Míšek, Jiří; Starý, Ivo; Stará, Irena G; Soai, Kenso","Reversal of the sense of enantioselectivity between 1- and 2-aza[6]helicenes used as chiral inducers of asymmetric autocatalysis.","Organic & biomolecular chemistry","2017","15","6","1321","1324","10.1039/c6ob02745h","","","1.54187","CuKα","","0.0734","0.0624","","","0.1559","0.1652","","","","","","1.064","","","","has coordinates","193896","2020-10-21","18:00:00",""
"7155439","7.29278","0.00013","12.9794","0.0002","17.3679","0.0003","90","","90","","90","","1643.97","0.05","100","","100","","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","(M)-(-)-1-Aza(6)helicene","(M)-(-)‒Benzo(5,6)phenanthro(3,4-h)quinoline","","- C25 H15 N -","- C25 H15 N -","- C100 H60 N4 -","4","1","","Matsumoto, Arimasa; Yonemitsu, Kento; Ozaki, Hanae; Míšek, Jiří; Starý, Ivo; Stará, Irena G; Soai, Kenso","Reversal of the sense of enantioselectivity between 1- and 2-aza[6]helicenes used as chiral inducers of asymmetric autocatalysis.","Organic & biomolecular chemistry","2017","15","6","1321","1324","10.1039/c6ob02745h","","","1.54187","CuKα","","0.0478","0.0419","","","0.1093","0.1138","","","","","","1.065","","","","has coordinates","193896","2020-10-21","18:00:00",""
"7155440","5.2767","0.0002","8.2192","0.0003","29.2713","0.0011","90","","90","","90","","1269.5","0.08","100","2","100","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C15 H13 Br O3 -","- C15 H13 Br O3 -","- C60 H52 Br4 O12 -","4","1","","Ren, Qiao; Li, Muyao; Yuan, Lujiang","Expeditious assembly of fused dihydropyranones via N-heterocyclic carbene-catalyzed tandem Michael addition/lactonization.","Organic & biomolecular chemistry","2017","15","6","1329","1333","10.1039/c6ob02449a","","","0.71073","MoKα","","0.0244","0.0222","","","0.0501","0.0515","","","","","","1.056","","","","has coordinates","193891","2020-10-21","18:00:00",""
"7155441","19.17","0.003","5.9569","0.001","7.7612","0.0014","90","","90","","90","","886.3","0.3","100","","100","","","","","","","","","4","P c a 21","P 2c -2ac","29","","","","- C10 H8 N2 O3 -","- C10 H8 N2 O3 -","- C40 H32 N8 O12 -","4","1","","Ning, Yingtang; Fukuda, Tomoya; Ikeda, Hirotaka; Otani, Yuko; Kawahata, Masatoshi; Yamaguchi, Kentaro; Ohwada, Tomohiko","Revisiting secondary interactions in neighboring group participation, exemplified by reactivity changes of iminylium intermediates.","Organic & biomolecular chemistry","2017","15","6","1381","1392","10.1039/c6ob02719a","","","0.71073","MoKα","","0.0344","0.031","","","0.0796","0.0818","","","","","","1.054","","","","has coordinates","193895","2020-10-21","18:00:00",""
"7155442","10.0351","0.0011","10.0395","0.0011","10.3718","0.0011","72.048","0.001","81.272","0.001","66.178","0.001","908.92","0.17","100","2","100","2","","","","","","","","6","P -1","-P 1","2","","","","- C19 H18 Cl N O5 S -","- C19 H18 Cl N O5 S -","- C38 H36 Cl2 N2 O10 S2 -","2","1","","Ning, Yingtang; Fukuda, Tomoya; Ikeda, Hirotaka; Otani, Yuko; Kawahata, Masatoshi; Yamaguchi, Kentaro; Ohwada, Tomohiko","Revisiting secondary interactions in neighboring group participation, exemplified by reactivity changes of iminylium intermediates.","Organic & biomolecular chemistry","2017","15","6","1381","1392","10.1039/c6ob02719a","","","0.71073","MoKα","","0.0297","0.0275","","","0.0716","0.0731","","","","","","1.056","","","","has coordinates","193895","2020-10-21","18:00:00",""
"7155443","12.5262","0.0012","9.5955","0.0009","16.6342","0.0015","90","","93.049","0.003","90","","1996.5","0.3","100","2","100","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C18 H18 Cl N O6 S2 -","- C18 H18 Cl N O6 S2 -","- C72 H72 Cl4 N4 O24 S8 -","4","1","","Ning, Yingtang; Fukuda, Tomoya; Ikeda, Hirotaka; Otani, Yuko; Kawahata, Masatoshi; Yamaguchi, Kentaro; Ohwada, Tomohiko","Revisiting secondary interactions in neighboring group participation, exemplified by reactivity changes of iminylium intermediates.","Organic & biomolecular chemistry","2017","15","6","1381","1392","10.1039/c6ob02719a","","","1.54178","CuKα","","0.073","0.0636","","","0.1779","0.1923","","","","","","1.179","","","","has coordinates","193895","2020-10-21","18:00:00",""
"7155444","10.5871","0.0009","17.4471","0.0015","7.3732","0.0006","90","","107.844","0.003","90","","1296.42","0.19","100","2","100","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C13 H15 Br Cl N O -","- C13 H15 Br Cl N O -","- C52 H60 Br4 Cl4 N4 O4 -","4","1","","Ning, Yingtang; Fukuda, Tomoya; Ikeda, Hirotaka; Otani, Yuko; Kawahata, Masatoshi; Yamaguchi, Kentaro; Ohwada, Tomohiko","Revisiting secondary interactions in neighboring group participation, exemplified by reactivity changes of iminylium intermediates.","Organic & biomolecular chemistry","2017","15","6","1381","1392","10.1039/c6ob02719a","","","1.54178","CuKα","","0.0601","0.0522","","","0.1254","0.1306","","","","","","1.092","","","","has coordinates","193895","2020-10-21","18:00:00",""
"7155445","16.674","0.003","11.067","0.002","20.438","0.004","90","","107.38","0.03","90","","3599.3","1.3","293","2","293","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C36 H29 B F2 N2 S8 -","- C36 H29 B F2 N2 S8 -","- C144 H116 B4 F8 N8 S32 -","4","1","","Liu, Ping; Gao, Feng; Zhou, Lina; Chen, Yu; Chen, Zhijian","Tetrathienyl-functionalized red- and NIR-absorbing BODIPY dyes appending various peripheral substituents.","Organic & biomolecular chemistry","2017","15","6","1393","1399","10.1039/c6ob02612e","","","0.71073","MoKα","","0.1643","0.0801","","","0.1754","0.2165","","","","","","1.039","","","","has coordinates","193886","2020-10-21","18:00:00",""
"7155446","12.3105","","12.6606","","22.2312","","84.259","","81.474","","77.247","","3333.95","","100","","100","","","","","","","","","4","P -1","-P 1","2","","","","- C180 H138 Cl2 N2 -","- C180 H138 Cl2 N2 -","- C180 H138 Cl2 N2 -","1","0.5","","Oda, Kazuma; Hiroto, Satoru; Hisaki, Ichiro; Shinokubo, Hiroshi","Synthesis of bright red-emissive dicyanoetheno-bridged hexa-peri-hexabenzocoronene dimers.","Organic & biomolecular chemistry","2017","15","6","1426","1434","10.1039/c6ob02775j","","","0.8","synchrotron","","0.1469","0.0997","","","0.2648","0.3091","","","","","","1.028","","","","has coordinates,has disorder","193890","2020-10-21","18:00:00",""
"7155447","19.0199","0.0008","19.4285","0.0008","23.4411","0.0008","100.927","0.003","104.663","0.003","102.902","0.004","7885.4","0.6","93","2","93","2","","","","","","","","4","P -1","-P 1","2","","2,3-bis(5,8,11,14,17-pentamesitylhexabenzo[bc,ef,hi,kl,no,qr]coronen-2-yl)maleonitrile","","- C204 H173.84 N9.95 O2.53 -","- C204.002 H173.838 N9.946 O2.528 -","- C408.004 H347.676 N19.892 O5.056 -","2","1","","Oda, Kazuma; Hiroto, Satoru; Hisaki, Ichiro; Shinokubo, Hiroshi","Synthesis of bright red-emissive dicyanoetheno-bridged hexa-peri-hexabenzocoronene dimers.","Organic & biomolecular chemistry","2017","15","6","1426","1434","10.1039/c6ob02775j","","","0.71073","MoKα","","0.1786","0.1027","","","0.28","0.3482","","","","","","1.014","","","","has coordinates,has disorder","193890","2020-10-21","18:00:00",""
"7155448","6.0454","0.0006","14.0347","0.0014","7.1416","0.0008","90","","101.033","0.003","90","","594.73","0.11","100","1","100","1","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C10 H13 N O7 -","- C10 H13 N O7 -","- C20 H26 N2 O14 -","2","1","","Esgulian, Mathieu; Belot, Vincent; Guillot, Régis; Deloisy, Sandrine; Aitken, David J.","Studies on cyclization reactions of 3-amino-2,4-dihydroxybutanoic acid derivatives.","Organic & biomolecular chemistry","2017","15","6","1453","1462","10.1039/c6ob02759h","","x-ray","0.71073","MoKα","","0.1675","0.1101","","","0.2694","0.3029","","","","","","1.062","","","","has coordinates","193889","2020-10-21","18:00:00",""
"7155449","8.1774","0.0004","8.2158","0.0003","15.0345","0.0007","90","","98.231","0.002","90","","999.67","0.08","100","1","100","1","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C19 H27 N O6 Si -","- C19 H27 N O6 Si -","- C38 H54 N2 O12 Si2 -","2","1","","Esgulian, Mathieu; Belot, Vincent; Guillot, Régis; Deloisy, Sandrine; Aitken, David J.","Studies on cyclization reactions of 3-amino-2,4-dihydroxybutanoic acid derivatives.","Organic & biomolecular chemistry","2017","15","6","1453","1462","10.1039/c6ob02759h","","x-ray","0.71073","MoKα","","0.0288","0.0254","","","0.0621","0.0635","","","","","","1.055","","","","has coordinates","193889","2020-10-21","18:00:00",""
"7155450","8.2084","0.0014","5.2477","0.0008","24.351","0.004","90","","90.768","0.005","90","","1048.8","0.3","100","1","100","1","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C12 H9 N O5 -","- C12 H9 N O5 -","- C48 H36 N4 O20 -","4","2","","Esgulian, Mathieu; Belot, Vincent; Guillot, Régis; Deloisy, Sandrine; Aitken, David J.","Studies on cyclization reactions of 3-amino-2,4-dihydroxybutanoic acid derivatives.","Organic & biomolecular chemistry","2017","15","6","1453","1462","10.1039/c6ob02759h","","x-ray","0.71073","MoKα","","0.1589","0.1518","","","0.3679","0.3717","","","","","","1.159","","","","has coordinates","193889","2020-10-21","18:00:00",""
"7155451","7.9533","0.0006","9.1569","0.0007","11.67","0.0008","83.471","0.004","82.104","0.004","88.025","0.004","836.23","0.11","296","2","296","2","","","","","","","","3","P -1","-P 1","2","","","","- C21 H22 N2 -","- C21 H22 N2 -","- C42 H44 N4 -","2","1","","Deb, Mohit L.; Borpatra, Paran J.; Saikia, Prakash J.; Baruah, Pranjal K.","Introducing tetramethylurea as a new methylene precursor: a microwave-assisted RuCl3-catalyzed cross dehydrogenative coupling approach to bis(indolyl)methanes.","Organic & biomolecular chemistry","2017","15","6","1435","1443","10.1039/c6ob02671k","","","0.71073","MoKα","","0.1096","0.061","","","0.1701","0.1981","","","","","","1.019","","","","has coordinates","193887","2020-10-21","18:00:00",""
"7155452","12.111","0.0008","10.0955","0.0007","23.0729","0.0016","90","","93.385","0.003","90","","2816.1","0.3","296","2","296","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C18 H16 N2 -","- C18 H16 N2 -","- C144 H128 N16 -","8","2","","Deb, Mohit L.; Borpatra, Paran J.; Saikia, Prakash J.; Baruah, Pranjal K.","Introducing tetramethylurea as a new methylene precursor: a microwave-assisted RuCl3-catalyzed cross dehydrogenative coupling approach to bis(indolyl)methanes.","Organic & biomolecular chemistry","2017","15","6","1435","1443","10.1039/c6ob02671k","","","0.71073","MoKα","","0.0939","0.0546","","","0.15","0.1783","","","","","","1.056","","","","has coordinates","193887","2020-10-21","18:00:00",""
"7155453","14.649","0.003","9.1488","0.0018","13.375","0.003","90","","102.24","0.03","90","","1751.8","0.7","173.15","","173.15","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C20 H21 N O3 -","- C20 H21 N O3 -","- C80 H84 N4 O12 -","4","1","","Li, Yu-Xia; Wang, Qi-Qiang; Yang, Luo","Metal-free decarbonylative alkylation-aminoxidation of styrene derivatives with aliphatic aldehydes and N-hydroxyphthalimide.","Organic & biomolecular chemistry","2017","15","6","1338","1342","10.1039/c7ob00030h","","","0.71073","MoKα","","0.0691","0.0612","","","0.1173","0.1215","","","","","","1.212","","","","has coordinates","193893","2020-10-21","18:00:00",""
"7155454","12.2397","0.0002","7.42711","0.00013","12.5508","0.0002","90","","104.05","0.001","90","","1106.8","0.03","93","","93","","","","","","","","","5","P 1 21 1","P 2yb","4","","(E)-3,3-dimethyl-2-((S)-4-((E)-styryl)-1-tosylpyrrolidin-3-ylidene)butanenitrile","","- C9 H13 N3 O5 S -","- C25 H28 N2 O2 S -","- C50 H56 N4 O4 S2 -","2","1","","Amako, Yuka; Arai, Shigeru; Nishida, Atsushi","Transfer of axial chirality through the nickel-catalysed hydrocyanation of chiral allenes.","Organic & biomolecular chemistry","2017","15","7","1612","1617","10.1039/c7ob00047b","","","1.54187","CuKα","","0.0558","0.0403","","","0.0817","0.0971","","","","","","1.087","","","","has coordinates","206489","2020-10-21","18:00:00",""
"7155455","19.746","0.008","11.173","0.004","9.393","0.004","90","","90","","90","","2072.3","1.4","293","2","293","2","","","","","","","","3","P n a 21","P 2c -2n","33","","","","- C26 H22 N2 -","- C26 H22 N2 -","- C104 H88 N8 -","4","1","","González-Rosende, M Eugenia; Castillo, Encarna; Jennings, W. Brian; Malone, John F.","Stereodynamics and edge-to-face CH-π aromatic interactions in imino compounds containing heterocyclic rings.","Organic & biomolecular chemistry","2017","15","6","1484","1494","10.1039/c6ob02618d","","","0.71073","MoKα","","0.0845","0.0461","","","0.0799","0.0932","","","","","","1.045","","","","has coordinates","193884","2020-10-21","18:00:00",""
"7155456","32.437","0.005","7.6263","0.0017","33.681","0.006","90","","98.332","0.014","90","","8244","3","293","2","293","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C25 H21 N S -","- C25 H21 N S -","- C400 H336 N16 S16 -","16","2","","González-Rosende, M Eugenia; Castillo, Encarna; Jennings, W. Brian; Malone, John F.","Stereodynamics and edge-to-face CH-π aromatic interactions in imino compounds containing heterocyclic rings.","Organic & biomolecular chemistry","2017","15","6","1484","1494","10.1039/c6ob02618d","","","0.71073","MoKα","","0.1883","0.0751","","","0.1764","0.2394","","","","","","0.992","","","","has coordinates","193884","2020-10-21","18:00:00",""
"7155457","9.5682","0.001","9.6574","0.001","14.765","0.0015","88.829","0.002","86.829","0.002","76.122","0.002","1322.5","0.2","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C H Cl N O -","- C3.29412 Cl0.235294 N0.235294 O0.705882 -","- C56 Cl4 N4 O12 -","17","8.5","","Zhang, Lin; Xiao, Pin; Guan, Xiaoxue; Huang, Zhouliang; Zhang, Jingping; Bi, Xihe","Silver-mediated radical coupling reaction of isocyanides and alcohols/phenols in the presence of water: unprecedented hydration and radical coupling reaction sequence.","Organic & biomolecular chemistry","2017","15","7","1580","1583","10.1039/c7ob00019g","","","0.71073","MoKα","","0.1771","0.1424","","","0.3505","0.3979","","","","","","2.407","","","","has coordinates","193899","2020-10-21","18:00:00",""
"7155458","5.407","","7.782","","16.311","","96.51","","95.82","","90.74","","678.175","","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C7.5 H7 Cl0.5 N0.5 O1.5 -","- C15 Cl N O3 -","- C30 Cl2 N2 O6 -","2","1","","Zhang, Lin; Xiao, Pin; Guan, Xiaoxue; Huang, Zhouliang; Zhang, Jingping; Bi, Xihe","Silver-mediated radical coupling reaction of isocyanides and alcohols/phenols in the presence of water: unprecedented hydration and radical coupling reaction sequence.","Organic & biomolecular chemistry","2017","15","7","1580","1583","10.1039/c7ob00019g","","","0.71073","MoKα","","0.1285","0.117","","","0.3289","0.3514","","","","","","2.536","","","","has coordinates","193899","2020-10-21","18:00:00",""
"7155459","7.6713","0.0019","20.094","0.005","10.598","0.003","90","","94.855","0.004","90","","1627.8","0.7","273","2","273","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C16 H23 Br N2 O2 -","- C16 Br N2 O2 -","- C64 Br4 N8 O8 -","4","1","","Zhang, Lin; Xiao, Pin; Guan, Xiaoxue; Huang, Zhouliang; Zhang, Jingping; Bi, Xihe","Silver-mediated radical coupling reaction of isocyanides and alcohols/phenols in the presence of water: unprecedented hydration and radical coupling reaction sequence.","Organic & biomolecular chemistry","2017","15","7","1580","1583","10.1039/c7ob00019g","","","0.71073","MoKα","","0.0981","0.0654","","","0.1837","0.2049","","","","","","1.227","","","","has coordinates","206489","2020-10-21","18:00:00",""
"7155460","7.617","0.012","10.617","0.017","11.452","0.018","64.336","0.015","72.042","0.017","88.506","0.018","788","2","295","2","295","2","","","","","","","","4","P -1","-P 1","2","","","","- C21 H13 N3 O2 -","- C21 H13 N3 O2 -","- C42 H26 N6 O4 -","2","1","","Guo, Shenghai; Zhai, Jianhui; Fan, Xuesen","An I2-mediated cascade reaction of 2'-bromoacetophenones with benzohydrazides/benzamides leading to quinazolino[3,2-b]cinnoline or tryptanthrin derivatives.","Organic & biomolecular chemistry","2017","15","6","1521","1529","10.1039/c6ob02699k","","","0.71073","MoKα","","0.0871","0.0682","","","0.125","0.1672","","","","","","1.053","","","","has coordinates","193885","2020-10-21","18:00:00",""
"7155461","7.993","0.004","12.54","0.005","10.604","0.004","90","","102.751","0.008","90","","1036.7","0.8","446","2","446","2","","","","","","","","4","P 1 21 1","P 2yb","4","","(S)-1-(6-Methoxybenzofuran-2-yl)-2-nitroethanol","","- C11 H11 N O5 -","- C11 H11 N O5 -","- C44 H44 N4 O20 -","4","2","","Chen, Wei; Zhou, Zhao-Hui; Chen, Hong-Bin","Efficient synthesis of chiral benzofuryl β-amino alcohols via a catalytic asymmetric Henry reaction.","Organic & biomolecular chemistry","2017","15","6","1530","1536","10.1039/c6ob02569b","","","0.71073","MoKα","","0.0865","0.0657","","","0.1411","0.1532","","","","","","1.015","","","","has coordinates","203412","2020-10-21","18:00:00",""
"7155462","5.5571","0.0002","5.6305","0.0002","32.3624","0.001","90","","90","","90","","1012.6","0.06","298","2","298","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","Chloride substitute","(S)-1-(5-Chlorobenzofuran-2-yl)-2-nitroethanol","","- C10 H8 Cl N O4 -","- C10 H8 Cl N O4 -","- C40 H32 Cl4 N4 O16 -","4","1","","Chen, Wei; Zhou, Zhao-Hui; Chen, Hong-Bin","Efficient synthesis of chiral benzofuryl β-amino alcohols via a catalytic asymmetric Henry reaction.","Organic & biomolecular chemistry","2017","15","6","1530","1536","10.1039/c6ob02569b","","","1.54184","CuKα","","0.0232","0.0217","","","0.0544","0.0549","","","","","","1.046","","","","has coordinates","193888","2020-10-21","18:00:00",""
"7155463","26.2548","0.0011","9.6138","0.0006","17.4876","0.0007","90","","103.593","0.004","90","","4290.4","0.4","293","2","293","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","1-((R)-phenyl((S)-3-phenylmorpholino)methyl)naphthalen-2-ol","","- C27 H25 N O2 -","- C27 H25 N O2 -","- C216 H200 N8 O16 -","8","1","","Mahato, Sujit; Jana, Chandan K.","Iterative direct C(sp(3))-H functionalization of amines: diastereoselective divergent syntheses of α,α'-disubstituted alicyclic amines.","Organic & biomolecular chemistry","2017","15","7","1655","1660","10.1039/c6ob02257j","","","0.71073","MoKα","","0.0782","0.053","","","0.1118","0.1267","","","","","","1.079","","","","has coordinates","193900","2020-10-21","18:00:00",""
"7155464","13.4796","0.0007","23.9065","0.0012","6.3744","0.0003","90","","90","","90","","2054.15","0.18","293","2","293","2","","","","","","","","4","P n a 21","P 2c -2n","33","","1-((R)-phenyl((R)-2-phenylpyrrolidin-1-yl)methyl)naphthalen-2-ol","","- C27 H25 N O -","- C27 H25 N O -","- C108 H100 N4 O4 -","4","1","","Mahato, Sujit; Jana, Chandan K.","Iterative direct C(sp(3))-H functionalization of amines: diastereoselective divergent syntheses of α,α'-disubstituted alicyclic amines.","Organic & biomolecular chemistry","2017","15","7","1655","1660","10.1039/c6ob02257j","","","0.71073","MoKα","","0.0592","0.0463","","","0.0771","0.0825","","","","","","1.127","","","","has coordinates","193900","2020-10-21","18:00:00",""
"7155465","9.8047","0.0015","11.9575","0.0013","16.3809","0.0017","90","","97.122","0.008","90","","1905.7","0.4","293","2","293","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","(7aS,10R,12R)-10-isopropyl-12-phenyl-8,9,10,12-tetrahydro-7aH-naphtho[1,2-e]pyrrolo[2,1-b][1,3]oxazine","","- C24 H25 N O -","- C24 H25 N O -","- C96 H100 N4 O4 -","4","1","","Mahato, Sujit; Jana, Chandan K.","Iterative direct C(sp(3))-H functionalization of amines: diastereoselective divergent syntheses of α,α'-disubstituted alicyclic amines.","Organic & biomolecular chemistry","2017","15","7","1655","1660","10.1039/c6ob02257j","","","0.71073","MoKα","","0.19","0.0761","","","0.1392","0.1791","","","","","","1.057","","","","has coordinates","193900","2020-10-21","18:00:00",""
"7155466","7.941","0.0004","32.3062","0.0015","17.2176","0.0008","90","","95.624","0.005","90","","4395.8","0.4","293","2","293","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","(7aS,11R,13R)-11-benzyl-13-phenyl-7a,8,9,10,11,13-hexahydronaphtho[1,2-e]pyrido[2,1-b][1,3]oxazine","","- C29 H27 N O -","- C29 H27 N O -","- C232 H216 N8 O8 -","8","2","","Mahato, Sujit; Jana, Chandan K.","Iterative direct C(sp(3))-H functionalization of amines: diastereoselective divergent syntheses of α,α'-disubstituted alicyclic amines.","Organic & biomolecular chemistry","2017","15","7","1655","1660","10.1039/c6ob02257j","","","0.71073","MoKα","","0.1007","0.0617","","","0.1393","0.1658","","","","","","1.042","","","","has coordinates","193900","2020-10-21","18:00:00",""
"7155467","10.415","0.002","11.469","0.002","15.047","0.003","90","","90","","90","","1797.4","0.6","293","2","293","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C19 H16 Br N O5 -","- C19 H16 Br N O5 -","- C76 H64 Br4 N4 O20 -","4","1","","Manoni, Francesco; Farid, Umar; Trujillo, Cristina; Connon, Stephen J.","Catalytic asymmetric Tamura cycloadditions involving nitroalkenes.","Organic & biomolecular chemistry","2017","15","6","1463","1474","10.1039/c6ob02637k","","","0.71073","MoKα","","0.0448","0.0422","","","0.1096","0.1249","","","","","","0.885","","","","has coordinates","206489","2020-10-21","18:00:00",""
"7155468","4.8942","0.0004","13.6964","0.001","14.1713","0.0012","90","","90","","90","","949.94","0.13","294.44","0.1","294.44","0.1","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C13 H8 O2 -","- C13 H8 O2 -","- C52 H32 O8 -","4","1","","Tang, Jing; Zhao, Shijun; Wei, Yuanyuan; Quan, Zhengjun; Huo, Congde","CBr4 promoted intramolecular aerobic oxidative dehydrogenative arylation of aldehydes: application in the synthesis of xanthones and fluorenones.","Organic & biomolecular chemistry","2017","15","7","1589","1592","10.1039/c7ob00080d","","x-ray","0.71073","MoKα","","0.1181","0.0552","","","0.0992","0.1262","","","","","","1.06","","","","has coordinates","193898","2020-10-21","18:00:00",""
"7155469","16.0871","0.0008","12.5495","0.0006","18.6772","0.0009","90","","90","","90","","3770.6","0.3","294.44","0.1","294.44","0.1","","","","","","","","3","P b c a","-P 2ac 2ab","61","","","","- C13 H8 O -","- C13 H8 O -","- C208 H128 O16 -","16","2","","Tang, Jing; Zhao, Shijun; Wei, Yuanyuan; Quan, Zhengjun; Huo, Congde","CBr4 promoted intramolecular aerobic oxidative dehydrogenative arylation of aldehydes: application in the synthesis of xanthones and fluorenones.","Organic & biomolecular chemistry","2017","15","7","1589","1592","10.1039/c7ob00080d","","x-ray","0.71073","MoKα","","0.1424","0.0677","","","0.1485","0.1972","","","","","","1.053","","","","has coordinates","193898","2020-10-21","18:00:00",""
"7155470","16.8632","0.0005","5.6827","0.0002","20.8486","0.0006","90","","100.486","0.001","90","","1964.52","0.11","123","2","123","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","N-benzyl-4-methyl-N-(1-phenyl-1H-pyrazol-4-yl)benzenesulfonamide","","- C23 H21 N3 O2 S -","- C23 H21 N3 O2 S -","- C92 H84 N12 O8 S4 -","4","1","","Wezeman, T.; Comas-Barceló, J; Nieger, M.; Harrity, J. P. A.; Bräse, S","Synthesis of aminopyrazoles from sydnones and ynamides.","Organic & biomolecular chemistry","2017","15","7","1575","1579","10.1039/c6ob02518h","","","1.54178","CuKα","","0.043","0.0353","","","0.0832","0.087","","","","","","1.041","","","","has coordinates","193897","2020-10-21","18:00:00",""
"7155471","5.9736","0.0003","9.6554","0.0005","19.0149","0.0009","83.76","0.002","86.84","0.002","77.757","0.002","1064.86","0.09","123","2","123","2","","","","","","","","6","P -1","-P 1","2","","N-benzyl-4-methyl-N-(1-(4-(trifluoromethyl)phenyl)-1H-pyrazol-4-yl)benzenesulfonamide","","- C24 H20 F3 N3 O2 S -","- C24 H20 F3 N3 O2 S -","- C48 H40 F6 N6 O4 S2 -","2","1","","Wezeman, T.; Comas-Barceló, J; Nieger, M.; Harrity, J. P. A.; Bräse, S","Synthesis of aminopyrazoles from sydnones and ynamides.","Organic & biomolecular chemistry","2017","15","7","1575","1579","10.1039/c6ob02518h","","","1.54178","CuKα","","0.0436","0.0379","","","0.0907","0.0941","","","","","","1.026","","","","has coordinates,has disorder","193897","2020-10-21","18:00:00",""
"7155472","11.611","0.003","7.436","0.002","20.143","0.006","90","","95.124","0.004","90","","1732.2","0.8","193","2","193","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C17 H14 Cl N2 O3 Rh -","- C17 H14 Cl N2 O3 Rh -","- C68 H56 Cl4 N8 O12 Rh4 -","4","1","","Koto, Yuma; Shibahara, Fumitoshi; Murai, Toshiaki","Imidazo[1,5-a]pyridin-3-ylidenes as π-accepting carbene ligands: substituent effects on properties of N-heterocyclic carbenes.","Organic & biomolecular chemistry","2017","15","8","1810","1820","10.1039/c6ob02827f","","","0.71075","MoKα","","0.0459","0.0368","","","0.1014","0.1267","","","","","","1.113","","","","has coordinates","193881","2020-10-21","18:00:00",""
"7155473","7.875","0.002","16.458","0.004","12.568","0.003","90","","100.553","0.003","90","","1601.3","0.7","193","2","193","2","","","","","","","","6","P 1 21/a 1","-P 2yab","14","","","","- C16 H12 Cl N2 O2 Rh -","- C16 H12 Cl N2 O2 Rh -","- C64 H48 Cl4 N8 O8 Rh4 -","4","1","","Koto, Yuma; Shibahara, Fumitoshi; Murai, Toshiaki","Imidazo[1,5-a]pyridin-3-ylidenes as π-accepting carbene ligands: substituent effects on properties of N-heterocyclic carbenes.","Organic & biomolecular chemistry","2017","15","8","1810","1820","10.1039/c6ob02827f","","","0.71075","MoKα","","0.0579","0.042","","","0.0827","0.0896","","","","","","1.089","","","","has coordinates","193881","2020-10-21","18:00:00",""
"7155474","10.436","0.003","12","0.003","14.96","0.004","82.159","0.008","89.752","0.009","66.314","0.006","1697","0.8","123.2","","123","2","","","","","","","","7","P -1","-P 1","2","","","","- C16 H7 Cl F5 N2 O2 Rh -","- C16 H7 Cl F5 N2 O2 Rh -","- C64 H28 Cl4 F20 N8 O8 Rh4 -","4","2","","Koto, Yuma; Shibahara, Fumitoshi; Murai, Toshiaki","Imidazo[1,5-a]pyridin-3-ylidenes as π-accepting carbene ligands: substituent effects on properties of N-heterocyclic carbenes.","Organic & biomolecular chemistry","2017","15","8","1810","1820","10.1039/c6ob02827f","","","0.71075","MoKα","","0.0393","0.0296","","","0.0571","0.0596","","","","","","0.875","","","","has coordinates","193881","2020-10-21","18:00:00",""
"7155475","7.168","0.004","9.002","0.005","15.02","0.008","76.479","0.014","80.476","0.018","81.147","0.016","922.6","0.9","123","2","123","2","","","","","","","","7","P -1","-P 1","2","","","","- C19 H11 Cl F3 N2 O2 Rh -","- C19 H11 Cl F3 N2 O2 Rh -","- C38 H22 Cl2 F6 N4 O4 Rh2 -","2","1","","Koto, Yuma; Shibahara, Fumitoshi; Murai, Toshiaki","Imidazo[1,5-a]pyridin-3-ylidenes as π-accepting carbene ligands: substituent effects on properties of N-heterocyclic carbenes.","Organic & biomolecular chemistry","2017","15","8","1810","1820","10.1039/c6ob02827f","","","0.71075","MoKα","","0.0556","0.0446","","","0.1025","0.1097","","","","","","1.01","","","","has coordinates","193881","2020-10-21","18:00:00",""
"7155476","8.144","0.002","9.039","0.003","9.707","0.003","97.961","0.002","106.05","0.004","95.085","0.003","674","0.3","193","2","193","2","","","","","","","","5","P -1","-P 1","2","","","","- C15 H14 N2 O Se -","- C15 H14 N2 O Se -","- C30 H28 N4 O2 Se2 -","2","1","","Koto, Yuma; Shibahara, Fumitoshi; Murai, Toshiaki","Imidazo[1,5-a]pyridin-3-ylidenes as π-accepting carbene ligands: substituent effects on properties of N-heterocyclic carbenes.","Organic & biomolecular chemistry","2017","15","8","1810","1820","10.1039/c6ob02827f","","","0.71075","MoKα","","0.0367","0.033","","","0.0817","0.0828","","","","","","1","","","","has coordinates","193881","2020-10-21","18:00:00",""
"7155477","7.0475","0.0015","9.2569","0.0018","14.015","0.003","95.006","0.002","104.313","0.0019","101.011","0.003","860.9","0.3","193","2","193","2","","","","","","","","6","P -1","-P 1","2","","","","- C18 H12 Cl N2 O2 Rh -","- C18 H12 Cl N2 O2 Rh -","- C36 H24 Cl2 N4 O4 Rh2 -","2","1","","Koto, Yuma; Shibahara, Fumitoshi; Murai, Toshiaki","Imidazo[1,5-a]pyridin-3-ylidenes as π-accepting carbene ligands: substituent effects on properties of N-heterocyclic carbenes.","Organic & biomolecular chemistry","2017","15","8","1810","1820","10.1039/c6ob02827f","","","0.71075","MoKα","","0.0308","0.0283","","","0.0716","0.0727","","","","","","1.009","","","","has coordinates","193881","2020-10-21","18:00:00",""
"7155478","5.9842","0.0001","9.104","0.0002","16.0223","0.0003","90","","90","","90","","872.9","0.03","100","2","100","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C10 H13 N O -","- C10 H13 N O -","- C40 H52 N4 O4 -","4","1","","Li, Ke; Wang, Juxiang; Wu, Kailin; Zheng, Daijun; Zhou, Xiaojian; Han, Wenyong; Wan, Nanwei; Cui, Baodong; Chen, Yongzheng","Enantioselective synthesis of 1,2,3,4-tetrahydroquinoline-4-ols and 2,3-dihydroquinolin-4(1H)-ones via a sequential asymmetric hydroxylation/diastereoselective oxidation process using Rhodococcus equi ZMU-LK19.","Organic & biomolecular chemistry","2017","15","17","3580","3584","10.1039/c7ob00151g","","","1.54178","CuKα","","0.0388","0.0387","","","0.1036","0.1036","","","","","","1.099","","","","has coordinates","196502","2020-10-21","18:00:00",""
"7155479","9.785","0.002","11.295","0.002","11.879","0.002","90","","97.63","0.03","90","","1301.3","0.4","110","2","110","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C13 H15 N O6 -","- C13 H15 N O6 -","- C52 H60 N4 O24 -","4","2","","Tan, Song Wei Benjamin; Chai, Christina L. L.; Moloney, Mark G.","Mimics of pramanicin derived from pyroglutamic acid and their antibacterial activity.","Organic & biomolecular chemistry","2017","15","8","1889","1912","10.1039/c6ob02828d","","","0.71073","MoKα","","0.0449","0.0438","","","0.1073","0.1085","","","","","","1.071","","","","has coordinates","193882","2020-10-21","18:00:00",""
"7155480","7.4743","0.0015","9.2516","0.0019","10.829","0.002","90","","92.25","0.03","90","","748.2","0.3","140","2","140","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C15 H16 N2 O6 -","- C15 H16 N2 O6 -","- C30 H32 N4 O12 -","2","1","","Tan, Song Wei Benjamin; Chai, Christina L. L.; Moloney, Mark G.","Mimics of pramanicin derived from pyroglutamic acid and their antibacterial activity.","Organic & biomolecular chemistry","2017","15","8","1889","1912","10.1039/c6ob02828d","","","0.71073","MoKα","","0.0327","0.0322","","","0.0845","0.0853","","","","","","1.055","","","","has coordinates","193882","2020-10-21","18:00:00",""
"7155481","8.8691","0.0004","9.8046","0.0005","12.4019","0.0006","99.836","0.002","102.889","0.002","94.239","0.002","1028.75","0.09","150","2","150","2","","","","","","","","5","P -1","-P 1","2","","","","- C25 H22 N2 O2 S -","- C25 H22 N2 O2 S -","- C50 H44 N4 O4 S2 -","2","1","","Kumar Boominathan, Siva Senthil; Reddy, Mutra Mohana; Hou, Ruei-Jhih; Chen, Hui-Fen; Wang, Jeh-Jeng","A simple and efficient method for constructing azepino[4,5-b]indole derivatives via acid catalysis.","Organic & biomolecular chemistry","2017","15","8","1872","1875","10.1039/c6ob02722a","","x-ray","0.71073","MoKα","","0.0455","0.038","","","0.1037","0.1117","","","","","","1","","","","has coordinates","193883","2020-10-21","18:00:00",""
"7155482","13.8738","0.0004","16.4725","0.0005","7.3033","0.0002","90","","105.255","0.0016","90","","1610.26","0.08","296","2","296","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C17 H24 Br N O2 -","- C17 H24 Br N O2 -","- C68 H96 Br4 N4 O8 -","4","1","","Hazarika, Nabajyoti; Sarmah, Barnali; Bordoloi, Manobjyoti; Phukan, Prodeep; Baishya, Gakul","Diastereoselective synthesis of tetrahydropyrans via Prins-Ritter and Prins-arylthiolation cyclization reactions.","Organic & biomolecular chemistry","2017","15","9","2003","2012","10.1039/c6ob02692c","","","0.71073","MoKα","","0.0259","0.0214","","","0.0756","0.0813","","","","","","0.697","","","","has coordinates","206489","2020-10-21","18:00:00",""
"7155483","11.751","0.005","12.712","0.005","13.46","0.005","89.482","0.005","68.529","0.005","73.872","0.005","1787.8","1.2","293","2","293","2","","","","","","","","4","P -1","-P 1","2","","","","- C46 H36 N2 O4 -","- C46 H36 N2 O4 -","- C92 H72 N4 O8 -","2","1","","Suman, Koorathota; Ramanjaneyulu, Mala; Thennarasu, Sathiah","Diastereoselective tandem oxidation/Michael/aldol reaction: unprecedented formation of dispirocyclopentanebisoxindoles and dispiro[acenaphthylene-1,1'-cyclopentane-3',1''-acenaphthylene]-2,2''diones.","Organic & biomolecular chemistry","2017","15","9","1961","1964","10.1039/c6ob02607a","","","0.71073","MoKα","","0.1185","0.0497","","","0.1188","0.1568","","","","","","1.006","","","","has coordinates","193902","2020-10-21","18:00:00",""
"7155484","4.673","0.004","7.018","0.006","13.709","0.012","77.037","0.011","86.712","0.011","86.883","0.012","437","0.7","90","","90","","","","","","","","","4","P -1","-P 1","2","","","","- C20 H14 N4 O4 -","- C20 H14 N4 O4 -","- C20 H14 N4 O4 -","1","0.5","","Matsubara, Ryosuke; Eguchi, Shuhei; Ando, Akihiro; Hayashi, Masahiko","Synthesis of alkynyl furoxans. Rare carbon-carbon bond-forming reaction on a furoxan ring.","Organic & biomolecular chemistry","2017","15","9","1965","1969","10.1039/c7ob00181a","","","0.71069","MoKα","","","0.0438","","","","0.1345","","","","","","0.684","","","","has coordinates","193904","2020-10-21","18:00:00",""
"7155485","11.05","0.016","15.17","0.02","18.83","0.03","90","","90","","90.198","0.018","3156","8","90","","90","","","","","","","","","4","P -1","-P 1","2","","","","- C18 H15 N5 O2 -","- C17.75 H15 N5.25 O2 -","- C142 H120 N42 O16 -","8","4","","Matsubara, Ryosuke; Eguchi, Shuhei; Ando, Akihiro; Hayashi, Masahiko","Synthesis of alkynyl furoxans. Rare carbon-carbon bond-forming reaction on a furoxan ring.","Organic & biomolecular chemistry","2017","15","9","1965","1969","10.1039/c7ob00181a","","","0.71069","MoKα","","","0.1137","","","","0.2802","","","","","","0.875","","","","has coordinates","193904","2020-10-21","18:00:00",""
"7155486","9.02","0.004","10.237","0.004","9.318","0.004","90","","117.399","0.006","90","","763.9","0.6","100","2","100","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C18 H14 Cl N O3 -","- C18 H14 Cl N O3 -","- C36 H28 Cl2 N2 O6 -","2","1","","Mukherjee, Subrata; Joseph, Sumi; Bhunia, Anup; Gonnade, Rajesh G.; Yetra, Santhivardhana Reddy; Biju, Akkattu T.","Enantioselective synthesis of spiro γ-butyrolactones by N-heterocyclic carbene (NHC)-catalyzed formal [3 + 2] annulation of enals with 3-hydroxy oxindoles.","Organic & biomolecular chemistry","2017","15","9","2013","2019","10.1039/c7ob00148g","","","0.71073","MoKα","","0.0691","0.0457","","","0.1121","0.135","","","","","","1.122","","","","has coordinates","193908","2020-10-21","18:00:00",""
"7155487","15.0818","0.0003","5.9952","0.0001","18.5272","0.0004","90","","102.281","0.002","90","","1636.86","0.06","293","2","293","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","2-Fluoro-3-hydroxy-1,3,3-triphenylpropan-1-one","","- C21 H17 F O2 -","- C21 H17 F O2 -","- C84 H68 F4 O8 -","4","1","","Naveen, Naganaboina; Balamurugan, Rengarajan","Catalyst free synthesis of α-fluoro-β-hydroxy ketones/α-fluoro-ynols via electrophilic fluorination of tertiary propargyl alcohols using Selectfluor™ (F-TEDA-BF4).","Organic & biomolecular chemistry","2017","15","9","2063","2072","10.1039/c7ob00140a","","","1.54184","CuKα","","0.0472","0.0424","","","0.1172","0.1223","","","","","","1.046","","","","has coordinates","193905","2020-10-21","18:00:00",""
"7155488","4.87924","0.00005","14.43858","0.00015","20.3657","0.0002","90","","90","","90","","1434.75","0.03","100","0.1","100","0.1","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C18 H16 N2 O3 -","- C18 H16 N2 O3 -","- C72 H64 N8 O12 -","4","1","","Verhasselt, Sigrid; Roman, Bart I.; De Wever, Olivier; Van Hecke, Kristof; Van Deun, Rik; Bracke, Marc E.; Stevens, Christian V.","Discovery of (S)-3'-hydroxyblebbistatin and (S)-3'-aminoblebbistatin: polar myosin II inhibitors with superior research tool properties.","Organic & biomolecular chemistry","2017","15","9","2104","2118","10.1039/c7ob00006e","","x-ray","1.54184","CuKα","","0.0538","0.0477","","","0.1217","0.1282","","","","","","1.033","","","","has coordinates","193906","2020-10-21","18:00:00",""
"7155489","4.88084","0.00006","14.45507","0.00015","20.3743","0.0002","90","","90","","90","","1437.47","0.03","100","0.1","100","0.1","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C18 H16 N2 O3 -","- C18 H16 N2 O3 -","- C72 H64 N8 O12 -","4","1","","Verhasselt, Sigrid; Roman, Bart I.; De Wever, Olivier; Van Hecke, Kristof; Van Deun, Rik; Bracke, Marc E.; Stevens, Christian V.","Discovery of (S)-3'-hydroxyblebbistatin and (S)-3'-aminoblebbistatin: polar myosin II inhibitors with superior research tool properties.","Organic & biomolecular chemistry","2017","15","9","2104","2118","10.1039/c7ob00006e","","x-ray","1.54184","CuKα","","0.0527","0.0498","","","0.1346","0.1386","","","","","","1.074","","","","has coordinates","193906","2020-10-21","18:00:00",""
"7155490","9.4223","0.0006","20.649","0.0013","10.9082","0.0008","90","","105.964","0.0019","90","","2040.5","0.2","100","2","100","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C23 H27 N O4 S -","- C23 H27 N O4 S -","- C92 H108 N4 O16 S4 -","4","1","","Rong, Zhouting; Echavarren, Antonio M.","Broad scope gold(i)-catalysed polyenyne cyclisations for the formation of up to four carbon-carbon bonds.","Organic & biomolecular chemistry","2017","15","10","2163","2167","10.1039/c7ob00235a","","","0.71073","MoKα","","0.051","0.0426","","","0.1059","0.1111","","","","","","1.046","","","","has coordinates","195168","2020-10-21","18:00:00",""
"7155491","9.8767","0.0014","23.638","0.003","8.6175","0.0012","90","","102.363","0.004","90","","1965.2","0.5","100","2","100","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C23 H27 N O5 -","- C23 H27 N O5 -","- C92 H108 N4 O20 -","4","1","","Rong, Zhouting; Echavarren, Antonio M.","Broad scope gold(i)-catalysed polyenyne cyclisations for the formation of up to four carbon-carbon bonds.","Organic & biomolecular chemistry","2017","15","10","2163","2167","10.1039/c7ob00235a","","","0.71073","MoKα","","0.053","0.0482","","","0.1255","0.1284","","","","","","1.127","","","","has coordinates","195168","2020-10-21","18:00:00",""
"7155492","14.5068","0.0011","16.0241","0.0012","7.276","0.0005","90","","96.491","0.001","90","","1680.5","0.2","296","2","296","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C24 H12 F6 -","- C24 H12 F6 -","- C96 H48 F24 -","4","1","","Yamada, Shigeyuki; Kinoshita, Keita; Iwama, Shota; Yamazaki, Takashi; Kubota, Toshio; Yajima, Tomoko; Yamamoto, Kyoko; Tahara, Shinya","Synthesis of perfluoroalkylated pentacenes and evaluation of their fundamental physical properties.","Organic & biomolecular chemistry","2017","15","12","2522","2535","10.1039/c7ob00043j","","","0.71073","MoKα","","0.0767","0.0482","","","0.1377","0.1575","","","","","","0.999","","","","has coordinates","195181","2020-10-21","18:00:00",""
"7155493","16.244","0.006","11.619","0.004","12.748","0.005","90","","73.966","0.006","90","","2312.4","1.5","123.15","","123.15","","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C23 H8 F20 -","- C23 H8 F20 -","- C92 H32 F80 -","4","1","","Yamada, Shigeyuki; Kinoshita, Keita; Iwama, Shota; Yamazaki, Takashi; Kubota, Toshio; Yajima, Tomoko; Yamamoto, Kyoko; Tahara, Shinya","Synthesis of perfluoroalkylated pentacenes and evaluation of their fundamental physical properties.","Organic & biomolecular chemistry","2017","15","12","2522","2535","10.1039/c7ob00043j","","","0.710747","MoKα","","0.0807","0.0579","","","0.1249","0.1384","","","","","","1.05","","","","has coordinates","195181","2020-10-21","18:00:00",""
"7155494","7.8393","0.0009","10.8367","0.0012","17.382","0.002","90","","94.666","0.005","90","","1471.7","0.3","150","2","150","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C15.5 H20 Cl N O2 -","- C15.5 H20 Cl N O2 -","- C62 H80 Cl4 N4 O8 -","4","1","","Yang, Yanxin; Yan, Linfan; Xie, Qinyu; Liang, Qiuming; Song, Datong","Zwitterionic indenylammonium with carbon-centred reactivity towards reversible CO2 binding and catalytic reduction.","Organic & biomolecular chemistry","2017","15","10","2240","2245","10.1039/c7ob00364a","","","0.71073","MoKα","","0.1588","0.0664","","","0.1285","0.1635","","","","","","1.012","","","","has coordinates","195167","2020-10-21","18:00:00",""
"7155495","6.3758","0.0004","12.4522","0.0007","14.7628","0.001","90","0.005","79.702","0.006","90","0.005","1153.18","0.13","298","2","298.15","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C14 H9 N3 O2 -","- C14 H9 N3 O2 -","- C56 H36 N12 O8 -","4","1","","Gopalaiah, Kovuru; Saini, Anupama; Chandrudu, Sankala Naga; Rao, Devarapalli Chenna; Yadav, Harsh; Kumar, Binay","Copper-catalyzed aerobic oxidative coupling of o-phenylenediamines with 2-aryl/heteroarylethylamines: direct access to construct quinoxalines.","Organic & biomolecular chemistry","2017","15","10","2259","2268","10.1039/c7ob00122c","","","0.71073","MoKα","","0.1536","0.0678","","","0.1177","0.1505","","","","","","1.045","","","","has coordinates","195165","2020-10-21","18:00:00",""
"7155496","9.5475","0.0013","4.7592","0.0005","12.4973","0.0018","90","","103.477","0.013","90","","552.22","0.13","293","2","293","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C14 H9 Cl N2 -","- C14 H9 Cl N2 -","- C28 H18 Cl2 N4 -","2","1","","Gopalaiah, Kovuru; Saini, Anupama; Chandrudu, Sankala Naga; Rao, Devarapalli Chenna; Yadav, Harsh; Kumar, Binay","Copper-catalyzed aerobic oxidative coupling of o-phenylenediamines with 2-aryl/heteroarylethylamines: direct access to construct quinoxalines.","Organic & biomolecular chemistry","2017","15","10","2259","2268","10.1039/c7ob00122c","","","0.71073","MoKα","","0.0629","0.0454","","","0.0953","0.1085","","","","","","1.01","","","","has coordinates","195165","2020-10-21","18:00:00",""
"7155497","3.8983","0.0005","26.209","0.003","11.0333","0.0011","90","","96.286","0.011","90","","1120.5","0.2","293","2","293","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C14 H9 Cl N2 -","- C14 H9 Cl N2 -","- C56 H36 Cl4 N8 -","4","1","","Gopalaiah, Kovuru; Saini, Anupama; Chandrudu, Sankala Naga; Rao, Devarapalli Chenna; Yadav, Harsh; Kumar, Binay","Copper-catalyzed aerobic oxidative coupling of o-phenylenediamines with 2-aryl/heteroarylethylamines: direct access to construct quinoxalines.","Organic & biomolecular chemistry","2017","15","10","2259","2268","10.1039/c7ob00122c","","","0.71073","MoKα","","0.2615","0.1109","","","0.2407","0.3247","","","","","","0.967","","","","has coordinates","195165","2020-10-21","18:00:00",""
"7155498","16.0372","0.0012","3.9616","0.0003","18.8895","0.0014","90","0.005","101.354","0.006","90","0.005","1176.62","0.15","293","2","293","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C15 H12 N2 O -","- C15 H12 N2 O -","- C60 H48 N8 O4 -","4","1","","Gopalaiah, Kovuru; Saini, Anupama; Chandrudu, Sankala Naga; Rao, Devarapalli Chenna; Yadav, Harsh; Kumar, Binay","Copper-catalyzed aerobic oxidative coupling of o-phenylenediamines with 2-aryl/heteroarylethylamines: direct access to construct quinoxalines.","Organic & biomolecular chemistry","2017","15","10","2259","2268","10.1039/c7ob00122c","","","0.71073","MoKα","","0.1164","0.0547","","","0.111","0.1419","","","","","","1.03","","","","has coordinates","195165","2020-10-21","18:00:00",""
"7155499","3.9286","0.0004","11.3555","0.0015","13.3245","0.0015","78.536","0.011","83.012","0.009","81.083","0.01","572.98","0.12","298","2","298.15","","","","","","","","","4","P -1","-P 1","2","","","","- C14 H9 N3 O2 -","- C14 H9 N3 O2 -","- C28 H18 N6 O4 -","2","1","","Gopalaiah, Kovuru; Saini, Anupama; Chandrudu, Sankala Naga; Rao, Devarapalli Chenna; Yadav, Harsh; Kumar, Binay","Copper-catalyzed aerobic oxidative coupling of o-phenylenediamines with 2-aryl/heteroarylethylamines: direct access to construct quinoxalines.","Organic & biomolecular chemistry","2017","15","10","2259","2268","10.1039/c7ob00122c","","","0.71073","MoKα","","0.1494","0.0664","","","0.1224","0.1694","","","","","","1.026","","","","has coordinates","195165","2020-10-21","18:00:00",""
"7155500","9.5607","0.0009","10.284","0.001","10.9413","0.001","100.114","0.004","114.21","0.004","102.16","0.004","916.8","0.16","223","2","223","2","","","","","","","","3","P -1","-P 1","2","","2-Methoxy-4'-phenyl-[1,1':2',1''-terphenyl]-3'-ol (9d)","","- C25 H20 O2 -","- C25 H20 O2 -","- C50 H40 O4 -","2","1","","Maezono, Shizuka Mei Bautista; Poudel, Tej Narayan; Lee, Yong Rok","One-pot construction of sterically challenging and diverse polyarylphenols via transition-metal-free benzannulation and their potent in vitro antioxidant activity.","Organic & biomolecular chemistry","2017","15","9","2052","2062","10.1039/c7ob00078b","","","0.71073","MoKα","","0.0621","0.0429","","","0.1164","0.1258","","","","","","1.069","","","","has coordinates","193907","2020-10-21","18:00:00",""
"7155501","9.688","0.0003","21.3581","0.0008","14.0274","0.0005","90","","106.82","0.001","90","","2778.34","0.17","296","2","296","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C25 H24 Br N5 O9 -","- C25 H24 Br N5 O9 -","- C100 H96 Br4 N20 O36 -","4","1","","Yang, Jieru; Zhou, Xiaofan; Zeng, Yu; Huang, Chaoqian; Xiao, Yuanjing; Zhang, Junliang","Divergent synthesis from reactions of 2-trifluoromethyl-1,3-conjugated enynes with N-acetylated 2-aminomalonates.","Organic & biomolecular chemistry","2017","15","10","2253","2258","10.1039/c6ob02749k","","","0.71073","MoKα","","0.0676","0.0443","","","0.1076","0.1217","","","","","","1.032","","","","has coordinates","195166","2020-10-21","18:00:00",""
"7155502","16.88","0.003","7.9527","0.0015","21.255","0.004","90","","90","","90","","2853.3","0.9","296","2","296","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C14 H11 Cl2 N O3 -","- C14 H11 Cl2 N O3 -","- C112 H88 Cl16 N8 O24 -","8","1","","Xu, Guangyang; Liu, Kai; Dai, Zhenya; Sun, Jiangtao","Gold/silver-catalyzed controllable regioselective vinylcarbene insertion into O-H bonds.","Organic & biomolecular chemistry","2017","15","11","2345","2348","10.1039/c7ob00338b","","","0.71073","MoKα","","0.0498","0.0336","","","0.0791","0.0897","","","","","","1.032","","","","has coordinates","195172","2020-10-21","18:00:00",""
"7155503","5.6319","0.0014","11.918","0.003","14.202","0.004","80.529","0.006","81.438","0.006","78.19","0.006","913.8","0.4","296","2","296","2","","","","","","","","4","P -1","-P 1","2","","","","- C20 H23 N O3 -","- C20 H23 N O3 -","- C40 H46 N2 O6 -","2","1","","Xu, Guangyang; Liu, Kai; Dai, Zhenya; Sun, Jiangtao","Gold/silver-catalyzed controllable regioselective vinylcarbene insertion into O-H bonds.","Organic & biomolecular chemistry","2017","15","11","2345","2348","10.1039/c7ob00338b","","","0.71073","MoKα","","0.0898","0.0601","","","0.1936","0.2489","","","","","","1.018","","","","has coordinates","195172","2020-10-21","18:00:00",""
"7155504","9.8839","0.0004","9.9233","0.0004","13.1134","0.0005","109.219","0.004","93.721","0.003","115.017","0.004","1068.78","0.09","150","2","150.15","","","","","","","","","6","P -1","-P 1","2","","","","- C24 H28 B Fe N O4 -","- C24 H28 B Fe N O4 -","- C48 H56 B2 Fe2 N2 O8 -","2","1","","Goggins, Sean; Apsey, Ellen A.; Mahon, Mary F.; Frost, Christopher G.","Ratiometric electrochemical detection of hydrogen peroxide and glucose.","Organic & biomolecular chemistry","2017","15","11","2459","2466","10.1039/c7ob00211d","","","1.54184","CuKα","","0.0439","0.0421","","","0.1088","0.1112","","","","","","1.033","","","","has coordinates","195173","2020-10-21","18:00:00",""
"7155505","7.8685","0.0004","15.9375","0.0007","10.112","0.0004","90","","102.539","0.005","90","","1237.84","0.1","295","2","295","2","","","","","","","","4","P 1 21/a 1","-P 2yab","14","","dimethyl 2-((4-nitrophenyl)amino)malonate","","- C11 H12 N2 O6 -","- C11 H12 N2 O6 -","- C44 H48 N8 O24 -","4","1","","Ramakrishna, Kankanala; Sivasankar, Chinnappan","Iridium catalyzed acceptor/acceptor carbene insertion into N-H bonds in water.","Organic & biomolecular chemistry","2017","15","11","2392","2396","10.1039/c7ob00177k","","","0.71073","MoKα","","0.0665","0.047","","","0.1224","0.1374","","","","","","1.038","","","","has coordinates","195176","2020-10-21","18:00:00",""
"7155506","8.496","0.006","11.107","0.008","9.921","0.007","90","","95.155","0.012","90","","932.4","1.1","150","2","150","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C22 H23 N3 O2 -","- C22 H23 N3 O2 -","- C44 H46 N6 O4 -","2","1","","Li, X.; Reeder, A. T.; Torri, F.; Adams, H.; Jones, S.","Mechanistic investigations of the asymmetric hydrosilylation of ketimines with trichlorosilane reveals a dual activation model and an organocatalyst with enhanced efficiency.","Organic & biomolecular chemistry","2017","15","11","2422","2435","10.1039/c6ob02537d","","","0.71073","MoKα","","0.064","0.0412","","","0.0819","0.0888","","","","","","1.022","","","","has coordinates","195175","2020-10-21","18:00:00",""
"7155507","25.356","0.003","6.9395","0.0009","7.4967","0.0011","90","","90","","90","","1319.1","0.3","123.15","","123.15","","","","","","","","","4","P b c n","-P 2n 2ab","60","","","","- C17 H12 N2 O3 -","- C17 H12 N2 O3 -","- C68 H48 N8 O12 -","4","0.5","","Jeppesen, Anne; Nielsen, Bjarne E.; Larsen, Dennis; Akselsen, Olivia M.; Sølling, Theis I; Brock-Nannestad, Theis; Pittelkow, Michael","Croconamides: a new dual hydrogen bond donating motif for anion recognition and organocatalysis.","Organic & biomolecular chemistry","2017","15","13","2784","2790","10.1039/c7ob00441a","","","0.71073","MoKα","","0.1037","0.0898","","","0.2118","0.2207","","","","","","1.092","","","","has coordinates","195169","2020-10-21","18:00:00",""
"7155508","20.0339","0.0013","8.9046","0.0007","13.8902","0.001","90","","122.816","0.002","90","","2082.5","0.3","123","","123.15","","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C21 H8 F12 N2 O3 -","- C21 H8 F12 N2 O3 -","- C84 H32 F48 N8 O12 -","4","1","","Jeppesen, Anne; Nielsen, Bjarne E.; Larsen, Dennis; Akselsen, Olivia M.; Sølling, Theis I; Brock-Nannestad, Theis; Pittelkow, Michael","Croconamides: a new dual hydrogen bond donating motif for anion recognition and organocatalysis.","Organic & biomolecular chemistry","2017","15","13","2784","2790","10.1039/c7ob00441a","","","0.71073","MoKα","","0.057","0.0466","","","0.1179","0.1254","","","","","","1.053","","","","has coordinates,has disorder","195169","2020-10-21","18:00:00",""
"7155509","6.9949","0.0009","10.2229","0.0014","15.438","0.002","90","","95.443","0.003","90","","1099","0.3","296","2","296.15","","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C28 H25 N O S -","- C28 H25 N O S -","- C56 H50 N2 O2 S2 -","2","1","","Zhang, Xuxue; Wu, Mingsheng; Zhang, Juan; Cao, Song","Synthesis of N,N-disubstituted 2-aminothiophenes by the cyclization of gem-difluoroalkenes with β-keto thioamides.","Organic & biomolecular chemistry","2017","15","11","2436","2442","10.1039/c7ob00368d","","","0.71073","MoKα","","0.0499","0.0367","","","0.0801","0.0862","","","","","","1.023","","","","has coordinates","195174","2020-10-21","18:00:00",""
"7155510","5.6825","0.0003","14.2013","0.0007","11.4613","0.0006","90","","94.933","0.002","90","","921.49","0.08","150","2","150","2","","","","","","","Sarcophyton stellatum","3","P 1 21 1","P 2yb","4","","(‒)-(2R,7R,8R)-Sarcophytoxide","","- C20 H30 O2 -","- C20 H30 O2 -","- C40 H60 O4 -","2","1","","Rahelivao, Marie Pascaline; Lübken, Tilo; Gruner, Margit; Kataeva, Olga; Ralambondrahety, Rahanira; Andriamanantoanina, Hanta; Checinski, Marek P.; Bauer, Ingmar; Knölker, Hans-Joachim","Isolation and structure elucidation of natural products of three soft corals and a sponge from the coast of Madagascar.","Organic & biomolecular chemistry","2017","15","12","2593","2608","10.1039/c7ob00191f","","","1.54178","CuKα","","0.0265","0.0264","","","0.0747","0.0747","","","","","","1.048","","","","has coordinates","195180","2020-10-21","18:00:00",""
"7155511","11.8164","0.0018","9.2321","0.0011","11.9043","0.0019","90","","110.492","0.003","90","","1216.5","0.3","296","2","296","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C12 H14 O3 S -","- C12 H14 O3 S -","- C48 H56 O12 S4 -","4","2","","Shiely, Amy E.; Slattery, Catherine N.; Ford, Alan; Eccles, Kevin S.; Lawrence, Simon E.; Maguire, Anita R.","Enantioselective copper catalysed intramolecular C-H insertion reactions of α-diazo-β-keto sulfones, α-diazo-β-keto phosphine oxides and 2-diazo-1,3-diketones; the influence of the carbene substituent.","Organic & biomolecular chemistry","2017","15","12","2609","2628","10.1039/c7ob00214a","","","0.71073","MoKα","","0.0578","0.0414","","","0.0967","0.1063","","","","","","1.068","","","","has coordinates","195182","2020-10-21","18:00:00",""
"7155512","7.8117","0.001","12.6388","0.0016","16.816","0.002","90","","90","","90","","1660.3","0.4","292","2","292","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C17 H15 Br O3 S -","- C17 H15 Br O3 S -","- C68 H60 Br4 O12 S4 -","4","1","","Shiely, Amy E.; Slattery, Catherine N.; Ford, Alan; Eccles, Kevin S.; Lawrence, Simon E.; Maguire, Anita R.","Enantioselective copper catalysed intramolecular C-H insertion reactions of α-diazo-β-keto sulfones, α-diazo-β-keto phosphine oxides and 2-diazo-1,3-diketones; the influence of the carbene substituent.","Organic & biomolecular chemistry","2017","15","12","2609","2628","10.1039/c7ob00214a","","","0.71073","MoKα","","0.0476","0.0352","","","0.0775","0.0819","","","","","","1.051","","","","has coordinates","195182","2020-10-21","18:00:00",""
"7155513","7.8064","0.0014","12.6377","0.0019","16.783","0.003","90","","90","","90","","1655.7","0.5","292","2","292","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C17 H15 Br O3 S -","- C17 H15 Br O3 S -","- C68 H60 Br4 O12 S4 -","4","1","","Shiely, Amy E.; Slattery, Catherine N.; Ford, Alan; Eccles, Kevin S.; Lawrence, Simon E.; Maguire, Anita R.","Enantioselective copper catalysed intramolecular C-H insertion reactions of α-diazo-β-keto sulfones, α-diazo-β-keto phosphine oxides and 2-diazo-1,3-diketones; the influence of the carbene substituent.","Organic & biomolecular chemistry","2017","15","12","2609","2628","10.1039/c7ob00214a","","","0.71073","MoKα","","0.0619","0.0401","","","0.0826","0.0895","","","","","","1.043","","","","has coordinates","195182","2020-10-21","18:00:00",""
"7155514","7.5086","0.0002","20.531","0.0005","20.0462","0.0005","90","","97.9726","0.0015","90","","3060.43","0.13","298","2","298","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","N-(tert-butyl)-2-(9-(2-(cyclopentylamino)-2-oxoethyl)-3,10-dioxo-4,9-diaza-1,2(1,3)-dibenzenacyclodecaphane-4-yl)acetamide","","- C63 H80 N8 O9 -","- C63 H80 N8 O9 -","- C126 H160 N16 O18 -","2","0.5","","Pérez-Labrada, Karell; Cruz-Mendoza, Marco A; Chávez-Riveros, Alejandra; Hernández-Vázquez, Eduardo; Torroba, Tomás; Miranda, Luis D.","Diversity-oriented synthesis and cytotoxic activity evaluation of biaryl-containing macrocycles.","Organic & biomolecular chemistry","2017","15","11","2450","2458","10.1039/c6ob02726a","","","1.54178","CuKα","","0.1764","0.1513","","","0.3364","0.3543","","","","","","1.197","","","","has coordinates,has disorder","195177","2020-10-21","18:00:00",""
"7155515","6.2179","0.0003","10.0744","0.0004","10.4155","0.0005","90","","107.042","0.005","90","","623.8","0.05","293","2","293","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C9 H15 N O5 S -","- C9 H15 N O5 S -","- C18 H30 N2 O10 S2 -","2","1","","Gan, Shaoyan; Yin, Junjie; Yao, Yuan; Liu, Yang; Chang, Denghu; Zhu, Dan; Shi, Lei","Metal- and additive-free oxygen-atom transfer reaction: an efficient and chemoselective oxidation of sulfides to sulfoxides with cyclic diacyl peroxides.","Organic & biomolecular chemistry","2017","15","12","2647","2654","10.1039/c7ob00021a","","x-ray","0.71073","MoKα","","0.035","0.0325","","","0.0771","0.0791","","","","","","1.066","","","","has coordinates","195184","2020-10-21","18:00:00",""
"7155516","19.0072","0.0009","19.0072","0.0009","5.7243","0.0003","90","","90","","120","","1790.97","0.15","100","2","100","2","","","","","","","","3","R 3 :H","R 3","146","","","","- C10 H10 O -","- C10 H10 O -","- C90 H90 O9 -","9","1","","Ma, Fujie; Chen, Jingchao; Yang, Fan; Shinde, Madhuri Vikas; Zhou, Yongyun; Fan, Baomin","Palladium/zinc co-catalyzed asymmetric transfer hydrogenation of oxabenzonorbornadienes with alcohols as hydrogen sources.","Organic & biomolecular chemistry","2017","15","11","2359","2362","10.1039/c7ob00175d","","","1.54178","CuKα","","0.0812","0.0773","","","0.2082","0.2129","","","","","","1.121","","","","has coordinates","195179","2020-10-21","18:00:00",""
"7155517","4.6462","0.0002","9.7488","0.0003","19.6719","0.0006","90","","90","","90","","891.04","0.05","100","2","100","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C11 H12 O2 -","- C11 H12 O2 -","- C44 H48 O8 -","4","1","","Ma, Fujie; Chen, Jingchao; Yang, Fan; Shinde, Madhuri Vikas; Zhou, Yongyun; Fan, Baomin","Palladium/zinc co-catalyzed asymmetric transfer hydrogenation of oxabenzonorbornadienes with alcohols as hydrogen sources.","Organic & biomolecular chemistry","2017","15","11","2359","2362","10.1039/c7ob00175d","","","1.54178","CuKα","","0.0461","0.0461","","","0.1384","0.1385","","","","","","1.203","","","","has coordinates","195179","2020-10-21","18:00:00",""
"7155518","10.848","0.002","8.1961","0.0016","15.304","0.003","90","","103.597","0.003","90","","1322.6","0.4","296","2","296","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C17 H13 F O2 -","- C17 H13 F O2 -","- C68 H52 F4 O8 -","4","1","","Wang, Liang; Li, Xuehu; Tao, Hua; Zhou, Xiang; Lu, Xihong; Du, Wenyue; Jiang, Tingting; Xin, Zhijun; Liang, Jianping","Palladium-catalyzed intermolecular tandem cyclization reaction: a highly regioselective synthesis of functionalized 3H-spiro[isobenzofuran-1,3'-isochroman] scaffolds.","Organic & biomolecular chemistry","2017","15","11","2403","2410","10.1039/c6ob02802k","","","0.71073","MoKα","","0.0455","0.0412","","","0.1179","0.1227","","","","","","1.005","","","","has coordinates","195178","2020-10-21","18:00:00",""
"7155519","5.8794","0.0004","7.4664","0.0007","15.5877","0.0015","92.948","0.008","93.41","0.007","110.44","0.008","638.14","0.1","293","2","293","2","","","","","","","","3","P -1","-P 1","2","","","","- C14 H17 N3 -","- C14 H17 N3 -","- C28 H34 N6 -","2","1","","Sun, Chenyang; Yuan, Xiao; Li, Yan; Li, Xiaoxiao; Zhao, Zhigang","N(1)-Selective alkenylation of 1-sulfonyl-1,2,3-triazoles with alkynes via gold catalysis.","Organic & biomolecular chemistry","2017","15","13","2721","2724","10.1039/c7ob00142h","","x-ray","1.54184","CuKα","","0.075","0.0663","","","0.1641","0.1779","","","","","","1.065","","","","has coordinates","195171","2020-10-21","18:00:00",""
"7155520","10.82","0.004","17.17","0.02","10.534","0.005","90","","105.49","0.04","90","","1886","2","290.55","0.1","290.55","0.1","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C24 H18 N2 O2 -","- C24 H18 N2 O2 -","- C96 H72 N8 O8 -","4","1","","Liu, Chen-Fei; Zhang, Guo-Tai; Sun, Jun-Shu; Dong, Lin","Access to π-conjugated azaindole derivatives via rhodium(iii)-catalyzed cascade reaction of azaindoles and diazo compounds.","Organic & biomolecular chemistry","2017","15","14","2902","2905","10.1039/c7ob00059f","","x-ray","0.71073","MoKα","","0.1235","0.076","","","0.206","0.2518","","","","","","1.022","","","","has coordinates","196511","2020-10-21","18:00:00",""
"7155521","7.1265","0.0007","28.922","0.003","11.2917","0.001","90","","106.228","0.001","90","","2234.6","0.4","296","2","296","2","","","","","","","","5","P 1 21 1","P 2yb","4","compound (+) 14d","","","- C21 H19 N O2 S -","- C21 H19 N O2 S -","- C84 H76 N4 O8 S4 -","4","2","","Carella, Andrea; Ramos Ferronatto, Gabriel; Marotta, Emanuela; Mazzanti, Andrea; Righi, Paolo; Paolucci, Claudio","Betti's base for crystallization-induced deracemization of substituted aldehydes: synthesis of enantiopure amorolfine and fenpropimorph.","Organic & biomolecular chemistry","2017","15","14","2968","2978","10.1039/c6ob02765b","","","0.71073","MoKα","","0.1279","0.0933","","","0.246","0.2878","","","","","","0.879","","","","has coordinates","196514","2020-10-21","18:00:00",""
"7155522","8.1053","0.0011","10.2013","0.0013","14.6738","0.0019","74.381","0.003","81.572","0.003","79.622","0.003","1143.2","0.3","293","2","293","2","","","","","","","","4","P -1","-P 1","2","","","","- C29 H21 Br O2 -","- C29 H21 Br O2 -","- C58 H42 Br2 O4 -","2","1","","Zhang, Fangfang; Yao, Qiyi; Yuan, Yang; Xu, Murong; Kong, Lingkai; Li, Yanzhong","Base-mediated insertion reaction of alkynes into carbon-carbon σ-bonds of ethanones: synthesis of hydroxydienone and chromone derivatives.","Organic & biomolecular chemistry","2017","15","12","2497","2500","10.1039/c7ob00476a","","","0.71073","MoKα","","0.0812","0.0517","","","0.1353","0.15","","","","","","1.025","","","","has coordinates","195183","2020-10-21","18:00:00",""
"7155523","10.1572","0.0014","9.7577","0.0014","21.796","0.003","90","","98.391","0.003","90","","2137.1","0.5","293","2","293","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C29 H20 O2 -","- C29 H20 O2 -","- C116 H80 O8 -","4","1","","Zhang, Fangfang; Yao, Qiyi; Yuan, Yang; Xu, Murong; Kong, Lingkai; Li, Yanzhong","Base-mediated insertion reaction of alkynes into carbon-carbon σ-bonds of ethanones: synthesis of hydroxydienone and chromone derivatives.","Organic & biomolecular chemistry","2017","15","12","2497","2500","10.1039/c7ob00476a","","","0.71073","MoKα","","0.0713","0.0437","","","0.1035","0.1149","","","","","","1.033","","","","has coordinates","195183","2020-10-21","18:00:00",""
"7155524","9.3577","0.0008","11.409","0.0009","11.7512","0.0008","63.086","0.002","75.619","0.002","69.263","0.002","1040.37","0.14","296","2","296","2","","","","","","","","5","P -1","-P 1","2","","","","- C22 H20 F2 N2 O4 -","- C22 H20 F2 N2 O4 -","- C44 H40 F4 N4 O8 -","2","1","","Tang, Luning; Huang, Hai; Xi, Yang; He, Guangke; Zhu, Hongjun","Pd/Cu-Catalyzed tandem head-to-tail dimerization/cycloisomerization of terminal ynamides for the synthesis of 5-vinyloxazolones.","Organic & biomolecular chemistry","2017","15","14","2923","2930","10.1039/c7ob00381a","","","0.71073","MoKα","","0.0611","0.0473","","","0.1178","0.1263","","","","","","1.031","","","","has coordinates","196516","2020-10-21","18:00:00",""
"7155525","10.797","0.013","11.711","0.015","12.514","0.015","113.344","0.017","96.823","0.019","113.413","0.019","1259","3","296","2","296","2","","","","","","","","4","P -1","-P 1","2","","","","- C26 H30 N2 O4 -","- C26 H30 N2 O4 -","- C52 H60 N4 O8 -","2","1","","Tang, Luning; Huang, Hai; Xi, Yang; He, Guangke; Zhu, Hongjun","Pd/Cu-Catalyzed tandem head-to-tail dimerization/cycloisomerization of terminal ynamides for the synthesis of 5-vinyloxazolones.","Organic & biomolecular chemistry","2017","15","14","2923","2930","10.1039/c7ob00381a","","","0.71073","MoKα","","0.1161","0.0995","","","0.2702","0.2767","","","","","","1.165","","","","has coordinates","196516","2020-10-21","18:00:00",""
"7155526","12.4653","0.0016","8.3351","0.0011","16.192","0.002","90","","110.902","0.002","90","","1571.6","0.3","293","2","293","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","(4S)-4-(4-chlorobenzoyl)-2-methylhexahydropyrrolo[3,4-a]pyrrolizine-1,3(2H,4H)-dione","","- C17 H17 Cl N2 O3 -","- C17 H17 Cl N2 O3 -","- C68 H68 Cl4 N8 O12 -","4","1","","Reddy, Chada Narsimha; Sathish, Manda; Adhikary, Susanta; Nanubolu, Jagadeesh Babu; Alarifi, Abdullah; Maurya, Ram Awatar; Kamal, Ahmed","Phenacyl azides as efficient intermediates: one-pot synthesis of pyrrolidines and imidazoles.","Organic & biomolecular chemistry","2017","15","13","2730","2733","10.1039/c7ob00299h","","","0.71073","MoKα","","0.0558","0.0463","","","0.1279","0.1368","","","","","","1.038","","","","has coordinates","195170","2020-10-21","18:00:00",""
"7155527","10.433","0.002","11.252","0.002","11.15","0.002","90","","101.21","0.03","90","","1283.9","0.4","120","2","120","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C15 H21 N O2 -","- C15 H21 N O2 -","- C60 H84 N4 O8 -","4","2","","Kuznetsov, Nikolai Yu; Tikhov, Rabdan M.; Godovikov, Ivan A.; Medvedev, Michael G.; Lyssenko, Konstantin A.; Burtseva, Elena I.; Kirillova, Elena S.; Bubnov, Yuri N.","Stereoselective synthesis of novel adamantane derivatives with high potency against rimantadine-resistant influenza A virus strains.","Organic & biomolecular chemistry","2017","15","15","3152","3157","10.1039/c7ob00331e","","","0.71073","MoKα","","0.0656","0.0514","","","0.1057","0.1141","","","","","","1.05","","","","has coordinates","196521","2020-10-21","18:00:00",""
"7155528","6.953","0.0014","11.068","0.002","16.703","0.003","90","","90","","90","","1285.4","0.4","120","2","120","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C15 H21 N O2 -","- C15 H21 N O2 -","- C60 H84 N4 O8 -","4","1","","Kuznetsov, Nikolai Yu; Tikhov, Rabdan M.; Godovikov, Ivan A.; Medvedev, Michael G.; Lyssenko, Konstantin A.; Burtseva, Elena I.; Kirillova, Elena S.; Bubnov, Yuri N.","Stereoselective synthesis of novel adamantane derivatives with high potency against rimantadine-resistant influenza A virus strains.","Organic & biomolecular chemistry","2017","15","15","3152","3157","10.1039/c7ob00331e","","","0.71073","MoKα","","0.0551","0.0418","","","0.0923","0.0992","","","","","","0.995","","","","has coordinates","196521","2020-10-21","18:00:00",""
"7155529","10.3207","0.0002","17.168","0.0004","10.4198","0.0002","90","","96.038","0.001","90","","1836","0.07","120","","120","","","","","","","","","4","P 1 21 1","P 2yb","4","","tert-butyl (1-((3r,5r,7r)-adamantan-1-yl)but-3-en-1-yl)carbamate","","- C19 H31 N O2 -","- C19 H31 N O2 -","- C76 H124 N4 O8 -","4","2","","Kuznetsov, Nikolai Yu; Tikhov, Rabdan M.; Godovikov, Ivan A.; Medvedev, Michael G.; Lyssenko, Konstantin A.; Burtseva, Elena I.; Kirillova, Elena S.; Bubnov, Yuri N.","Stereoselective synthesis of novel adamantane derivatives with high potency against rimantadine-resistant influenza A virus strains.","Organic & biomolecular chemistry","2017","15","15","3152","3157","10.1039/c7ob00331e","","x-ray","1.54178","CuKα","","0.0326","0.0323","","","0.0897","0.09","","","","","","1.058","","","","has coordinates","196521","2020-10-21","18:00:00",""
"7155530","10.6735","0.0007","11.9007","0.0008","14.2306","0.0009","90","","90","","90","","1807.6","0.2","120","","120","","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","4-((3r,5r,7r)-adamantan-1-yl)-6-(bromomethyl)-2-(tert-butoxy)-5,6-dihydro-4H-1,3-oxazine","","- C19 H30 Br N O2 -","- C19 H30 Br N O2 -","- C76 H120 Br4 N4 O8 -","4","1","","Kuznetsov, Nikolai Yu; Tikhov, Rabdan M.; Godovikov, Ivan A.; Medvedev, Michael G.; Lyssenko, Konstantin A.; Burtseva, Elena I.; Kirillova, Elena S.; Bubnov, Yuri N.","Stereoselective synthesis of novel adamantane derivatives with high potency against rimantadine-resistant influenza A virus strains.","Organic & biomolecular chemistry","2017","15","15","3152","3157","10.1039/c7ob00331e","","","0.71073","MoKα","","0.0379","0.0298","","","0.0651","0.068","","","","","","1.007","","","","has coordinates","196521","2020-10-21","18:00:00",""
"7155531","8.3872","0.0017","10.676","0.002","28.705","0.006","90","","90","","90","","2570.3","0.9","120","2","120","2","","","","","","","","4","C 2 2 21","C 2c 2","20","","","","- C15 H23 N O2 -","- C15 H23 N O2 -","- C120 H184 N8 O16 -","8","1","","Kuznetsov, Nikolai Yu; Tikhov, Rabdan M.; Godovikov, Ivan A.; Medvedev, Michael G.; Lyssenko, Konstantin A.; Burtseva, Elena I.; Kirillova, Elena S.; Bubnov, Yuri N.","Stereoselective synthesis of novel adamantane derivatives with high potency against rimantadine-resistant influenza A virus strains.","Organic & biomolecular chemistry","2017","15","15","3152","3157","10.1039/c7ob00331e","","","0.71073","MoKα","","0.1119","0.0784","","","0.1837","0.1994","","","","","","1.081","","","","has coordinates","196521","2020-10-21","18:00:00",""
"7155532","14.4594","0.0015","5.6092","0.0006","15.0823","0.0015","90","","105.035","0.002","90","","1181.4","0.2","293","2","293","2","","","","","","","synthesis as described","4","P 1 21/n 1","-P 2yn","14","","","","- C15 H10 N2 O2 -","- C15 H10 N2 O2 -","- C60 H40 N8 O8 -","4","1","","Mtiraoui, Hasan; Renault, Kevin; Sanselme, Morgane; Msaddek, Moncef; Renard, Pierre-Yves; Sabot, Cyrille","Metal-free oxidative ring contraction of benzodiazepinones: an entry to quinoxalinones.","Organic & biomolecular chemistry","2017","15","14","3060","3068","10.1039/c7ob00205j","","x-ray","0.71073","MoKα","","0.0457","0.0417","","","0.1096","0.1131","","","","","","1.073","","","","has coordinates","196513","2020-10-21","18:00:00",""
"7155533","8.2056","0.0001","11.9665","0.0002","13.8857","0.0002","90","","90","","90","","1363.47","0.03","100","","100","","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","(7S,8aS)-octahydro-5,5-dimethylindolizin-7-ol 9, acetic acid salt monohydrate","","- C12 H25 N O4 -","- C12 H25 N O4 -","- C48 H100 N4 O16 -","4","1","","Zhang, Jing; Kolluri, Rao; Alvarez, Salvador G.; Irving, Mark M.; Singh, Rajinder; Duncton, Matthew A. J.","Enantioselective synthesis of an octahydroindolizine (indolizidine) alcohol using an enzymatic resolution.","Organic & biomolecular chemistry","2017","15","14","2953","2961","10.1039/c7ob00192d","","","1.54178","CuKα","","0.0388","0.038","","","0.1016","0.1031","","","","","","1.079","","","","has coordinates","196512","2020-10-21","18:00:00",""
"7155534","12.8722","0.0005","6.6204","0.0002","20.7083","0.0008","90","","92.069","0.002","90","","1763.59","0.11","110.15","","110.15","","","","","","","","","5","P 1 21 1","P 2yb","4","","Ethyl (1aS,2S,3R,3aR,6aS,6bS)-4-oxo-5-tosyloctahydro-2,6a-epoxyoxireno[2,3-e]isoindole-3-carboxylate","","- C18 H19 N O7 S -","- C18 H19 N O7 S -","- C72 H76 N4 O28 S4 -","4","2","","Abbasov, Mikail E.; Hudson, Brandi M.; Kong, Weixu; Tantillo, Dean J.; Romo, Daniel","Enantioselective Diels-Alder-lactamization organocascades employing a furan-based diene.","Organic & biomolecular chemistry","2017","15","15","3179","3183","10.1039/c6ob02738e","","","1.54178","CuKα","","0.0428","0.037","","","0.0966","0.1092","","","","","","1.116","","","","has coordinates,has disorder","196518","2020-10-21","18:00:00",""
"7155535","15.0497","0.0007","11.1392","0.0005","16.514","0.005","90","","90","","90","","2768.4","0.9","293","2","293","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","8-Methyl-2-nitro-7,8-dihydro-5H-benzo[i]pyrido[3,2-b][1,4,7]oxadiazecin-9(6H)-one","","- C15 H14 N4 O4 -","- C15 H13 N4 O4 -","- C120 H104 N32 O32 -","8","1","","Sapegin, Alexander; Osipyan, Angelina; Krasavin, Mikhail","Structurally diverse arene-fused ten-membered lactams accessed via hydrolytic imidazoline ring expansion.","Organic & biomolecular chemistry","2017","15","14","2906","2909","10.1039/c7ob00535k","","","0.71073","MoKα","","0.0532","0.0415","","","0.0967","0.1032","","","","","","1.062","","","","has coordinates","206958","2020-10-21","18:00:00",""
"7155536","12.5546","0.0016","13.421","0.0018","17.44","0.002","95.959","0.007","103.802","0.007","108.371","0.007","2656.7","0.6","273","2","273.15","","","","","","","","","3","P -1","-P 1","2","","","","- C23 H20 N2 -","- C23 H20 N2 -","- C138 H120 N12 -","6","3","","Banerji, Biswadip; Chatterjee, Satadru; Chandrasekhar, K.; Bera, Suvankar; Mazumder, Leena; Prodhan, Chandraday; Chaudhuri, Keya","Expedient Synthesis of Phenanthro-Imidazo-Pyridine Fused Heteropolynuclear Framework via CDC coupling: A New Class of Luminophores","Org. Biomol. Chem.","2017","","","","","10.1039/C7OB00564D","","","0.71073","MoKα","","0.1379","0.0634","","","0.1906","0.2541","","","","","","0.988","","","","has coordinates","194319","2020-10-21","18:00:00",""
"7155537","21.0174","0.0006","9.9144","0.0002","26.3443","0.0008","90","","104.108","0.003","90","","5323.9","0.3","289","2","289","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C77 H19 Cl9 O6 -","- C77 H19 Cl9 O6 -","- C308 H76 Cl36 O24 -","4","1","","Wang, Jun-Jie; Lin, Hao-Sheng; Niu, Chuang; Wang, Guan-Wu","The cyclopropanation of [60]fullerobenzofurans via electrosynthesis.","Organic & biomolecular chemistry","2017","15","15","3248","3254","10.1039/c7ob00463j","","","1.54184","CuKα","","0.1249","0.0977","","","0.2206","0.241","","","","","","1.093","","","","has coordinates,has disorder","196523","2020-10-21","18:00:00",""
"7155538","12.4334","0.0005","10.216","0.0004","16.6743","0.0007","90","","99.832","0.004","90","","2086.86","0.15","293","2","298","","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","3i","","- C24 H26 O5 -","- C24 H26 O5 -","- C96 H104 O20 -","4","1","","Zhang, Zhen; Li, Cheng; Wang, Shao-Hua; Zhang, Fu-Min; Han, Xue; Tu, Yong-Qiang; Zhang, Xiao-Ming","Tandem SN2' nucleophilic substitution/oxidative radical cyclization of aryl substituted allylic alcohols with 1,3-dicarbonyl compounds.","Organic & biomolecular chemistry","2017","15","15","3239","3247","10.1039/c7ob00620a","","","0.7107","MoKα","","0.0796","0.0546","","","0.1282","0.1468","","","","","","1.029","","","","has coordinates","196517","2020-10-21","18:00:00",""
"7155539","11.4563","0.0005","18.7494","0.0008","9.4799","0.0003","90","","90.253","0.003","90","","2036.25","0.14","293","2","293","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C24 H26 N2 O2 -","- C24 H26 N2 O2 -","- C96 H104 N8 O8 -","4","1","","Mardjan, M. I. D.; Perie, S.; Parrain, J.-L.; Commeiras, L.","A tunable copper-catalyzed multicomponent reaction towards alkaloid-inspired indole/lactam polycycles.","Organic & biomolecular chemistry","2017","15","15","3304","3309","10.1039/c7ob00532f","","x-ray","0.71073","MoKα","","0.0901","0.0644","","","0.1618","0.1772","","","","","","1.033","","","","has coordinates","196522","2020-10-21","18:00:00",""
"7155540","12.7853","0.0006","15.0292","0.0008","19.3138","0.0013","90","","107.062","0.006","90","","3547.9","0.4","293","2","293","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C40 H48 N4 O2 -","- C40 H48 N4 O2 -","- C160 H192 N16 O8 -","4","1","","Mardjan, M. I. D.; Perie, S.; Parrain, J.-L.; Commeiras, L.","A tunable copper-catalyzed multicomponent reaction towards alkaloid-inspired indole/lactam polycycles.","Organic & biomolecular chemistry","2017","15","15","3304","3309","10.1039/c7ob00532f","","x-ray","0.71073","MoKα","","0.1347","0.0709","","","0.1481","0.1756","","","","","","1.027","","","","has coordinates,has disorder","196522","2020-10-21","18:00:00",""
"7155541","11.776","0.0009","8.4171","0.0006","13.9685","0.0011","90","","114.786","0.003","90","","1257.01","0.17","103","2","103","2","","","","","","","","5","P 1 21 1","P 2yb","4","","3,5-dimethoxy-2-((R)-2-nitro-1-phenylethyl)phenyl ((1R,4S)-7,7-dimethyl-2-oxobicyclo[2.2.1]heptan-1-yl)methanesulfonate","","- C26 H31 N O8 S -","- C26 H31 N O8 S -","- C52 H62 N2 O16 S2 -","2","1","","Han, Xiaoyu; Ye, Can; Chen, Fenfen; Chen, Qu; Wang, Yongjiang; Zeng, Xiaofei","A highly enantioselective Friedel-Crafts reaction of 3,5-dimethoxylphenol with nitroolefins mediated by a bifunctional quinine derived thiourea catalyst.","Organic & biomolecular chemistry","2017","15","16","3401","3407","10.1039/c7ob00372b","","","0.71073","MoKα","","0.0463","0.0428","","","0.103","0.1124","","","","","","1.144","","","","has coordinates","196509","2020-10-21","18:00:00",""
"7155542","10.0601","0.0008","15.2849","0.0012","15.3621","0.0011","90","","90.477","0.003","90","","2362.1","0.3","100","","100","","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","(±)-(1R,2S)-Diethyl 3,3,3-trifluoro-1,2-dihydroxypropylphosphonate","","- C7 H14 F3 O5 P -","- C7 H14 F3 O5 P -","- C56 H112 F24 O40 P8 -","8","2","","Pallitsch, K.; Schweifer, A.; Roller, A.; Hammerschmidt, F.","Towards the biodegradation pathway of fosfomycin.","Organic & biomolecular chemistry","2017","15","15","3276","3285","10.1039/c7ob00546f","","x-ray","0.71073","MoKα","","0.0725","0.0657","","","0.1566","0.1615","","","","","","1.084","","","","has coordinates,has disorder","196519","2020-10-21","18:00:00",""
"7155543","8.1889","0.0003","10.3419","0.0005","10.9166","0.0004","105.058","0.004","98.466","0.003","99.563","0.003","862.59","0.07","293","2","293","2","","","","","","","","4","P -1","-P 1","2","","","","- C20 H16 N2 O4 -","- C20 H16 N2 O4 -","- C40 H32 N4 O8 -","2","1","","Majee, Debashis; Biswas, Soumen; Mobin, Shaikh M.; Samanta, Sampak","Domino reaction of cyclic sulfamidate imines with Morita-Baylis-Hillman acetates promoted by DABCO: a metal-free approach to functionalized nicotinic acid derivatives.","Organic & biomolecular chemistry","2017","15","15","3286","3297","10.1039/c7ob00240h","","","0.71073","MoKα","","0.0967","0.0624","","","0.1619","0.1867","","","","","","1.07","","","","has coordinates","196520","2020-10-21","18:00:00",""
"7155544","12.74606","0.00016","10.64439","0.00015","19.7255","0.0003","90","","98.7804","0.0013","90","","2644.87","0.06","293","2","293","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C27 H42 Cl N2 P Ru -","- C27 H42 Cl N2 P Ru -","- C108 H168 Cl4 N8 P4 Ru4 -","4","1","","Chang, Weihong; Gong, Xue; Wang, Shuizhong; Xiao, Ling-Ping; Song, Guoyong","Acceptorless dehydrogenation and dehydrogenative coupling of alcohols catalysed by protic NHC ruthenium complexes.","Organic & biomolecular chemistry","2017","15","16","3466","3471","10.1039/c7ob00542c","","","0.71073","MoKα","","0.034","0.0285","","","0.0598","0.0626","","","","","","1.051","","","","has coordinates","196510","2020-10-21","18:00:00",""
"7155545","10.128","0.003","12.566","0.003","13.275","0.004","83.199","0.005","84.143","0.005","68.651","0.004","1559.3","0.8","163","2","163","2","","","","","","","","6","P -1","-P 1","2","","","","- C33 H48 N2 Na P Ru -","- C33 H48 N2 Na P Ru -","- C66 H96 N4 Na2 P2 Ru2 -","2","1","","Chang, Weihong; Gong, Xue; Wang, Shuizhong; Xiao, Ling-Ping; Song, Guoyong","Acceptorless dehydrogenation and dehydrogenative coupling of alcohols catalysed by protic NHC ruthenium complexes.","Organic & biomolecular chemistry","2017","15","16","3466","3471","10.1039/c7ob00542c","","","0.71073","MoKα","","0.077","0.0557","","","0.1317","0.1425","","","","","","0.982","","","","has coordinates","196510","2020-10-21","18:00:00",""
"7155546","10.9813","0.0014","26.815","0.004","14.946","0.002","90","","90.512","0.013","90","","4400.9","1","294","2","294","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C51 H44 N4 O4 S2 -","- C51 H44 N4 O4 S2 -","- C204 H176 N16 O16 S8 -","4","1","","Zhao, Yingying; Hu, Yancheng; Li, Xincheng; Wan, Boshun","Tf2NH-catalyzed formal [3 + 2] cycloaddition of oxadiazolones with ynamides: a simple access to aminoimidazoles.","Organic & biomolecular chemistry","2017","15","16","3413","3417","10.1039/c7ob00701a","","","0.71073","MoKα","","0.2753","0.0814","","","0.1463","0.228","","","","","","0.947","","","","has coordinates","196508","2020-10-21","18:00:00",""
"7155547","8.9022","0.0005","14.9494","0.0008","27.943","0.0016","90","","93.499","0.005","90","","3711.8","0.4","130","","130","","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C35 H47 N O14 -","- C35 H47 N O14 -","- C140 H188 N4 O56 -","4","2","","Xiao, Yongsheng; Zhang, Bo; Zhang, Mei; Guo, Zhi Kai; Deng, Xin Zhao; Shi, Jing; Li, Wei; Jiao, Rui Hua; Tan, R.-X.; Ge, Hui Ming","Rifamorpholines A-E, Potential Antibiotics from a Locust-Associated Actinobacteria Amycolatopsis sp. Hca4","Org. Biomol. Chem.","2017","","","","","10.1039/C7OB00614D","","","1.54178","CuKα","","0.1258","0.0937","","","0.2406","0.2635","","","","","","0.999","","","","has coordinates","194752","2020-10-21","18:00:00",""
"7155548","11.8973","0.0001","14.2852","0.0002","11.9193","0.0002","90","","114.749","0.001","90","","1839.68","0.05","130","","130","","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C37 H45 N O13 -","- C37 H45 N O13 -","- C74 H90 N2 O26 -","2","1","","Xiao, Yongsheng; Zhang, Bo; Zhang, Mei; Guo, Zhi Kai; Deng, Xin Zhao; Shi, Jing; Li, Wei; Jiao, Rui Hua; Tan, R.-X.; Ge, Hui Ming","Rifamorpholines A-E, Potential Antibiotics from a Locust-Associated Actinobacteria Amycolatopsis sp. Hca4","Org. Biomol. Chem.","2017","","","","","10.1039/C7OB00614D","","","1.54178","CuKα","","0.046","0.0451","","","0.1188","0.1201","","","","","","1.036","","","","has coordinates","194752","2020-10-21","18:00:00",""
"7155549","13.8048","0.0003","15.2327","0.0003","15.2102","0.0004","90","","90","","90","","3198.47","0.13","293","2","293","2","","","","","","","","4","P b c n","-P 2n 2ab","60","","","","- C18 H18 N2 O3 -","- C18 H18 N2 O3 -","- C144 H144 N16 O24 -","8","1","","Bai, Siyi; Chen, Xun; Hu, Xinwei; Deng, Yuanfu; Jiang, Huanfeng; Zeng, Wei","An Ir(iii)-catalyzed aryl C-H bond carbenoid functionalization cascade: access to 1,3-dihydroindol-2-ones.","Organic & biomolecular chemistry","2017","15","17","3638","3647","10.1039/c7ob00367f","","","1.54184","CuKα","","0.0443","0.0385","","","0.1018","0.1066","","","","","","1.054","","","","has coordinates","196505","2020-10-21","18:00:00",""
"7155550","5.7144","0.0013","12.03","0.003","12.5875","0.0012","92.05","0.014","92.677","0.013","90.37","0.02","863.8","0.3","198","15","198","15","","","","","","","","5","P -1","-P 1","2","","","","- C22 H15 F O S -","- C22 H15 F O S -","- C44 H30 F2 O2 S2 -","2","1","","Yang, Xiaodong; Yan, Rulong","A method for accessing sulfanylfurans from homopropargylic alcohols and sulfonyl hydrazides.","Organic & biomolecular chemistry","2017","15","17","3571","3574","10.1039/c7ob00566k","","x-ray","0.71073","MoKα","","0.1215","0.0619","","","0.1214","0.1656","","","","","","1.061","","","","has coordinates","196506","2020-10-21","18:00:00",""
"7155551","8.8343","0.0004","10.9242","0.0005","10.9439","0.0005","103.635","0.002","97.925","0.002","91.114","0.002","1015.12","0.08","296","2","296","2","","","","","","","","5","P -1","-P 1","2","","(Z)-diethyl 1-acetyl-5-benzylidene-4-(trifluoromethyl)pyrrolidine-2,2-dicarboxylate","","- C20 H22 F3 N O5 -","- C20 H22 F3 N O5 -","- C40 H44 F6 N2 O10 -","2","1","","Yang, Jieru; Zhou, Xiaofan; Zeng, Yu; Huang, Chaoqian; Xiao, Yuanjing; Zhang, Junliang","Divergent synthesis from reactions of 2-trifluoromethyl-1,3-conjugated enynes with N-acetylated 2-aminomalonates.","Organic & biomolecular chemistry","2017","15","10","2253","2258","10.1039/c6ob02749k","","","0.71073","MoKα","","0.0699","0.0476","","","0.127","0.1526","","","","","","1.073","","","","has coordinates","194918","2020-10-21","18:00:00",""
"7155552","10.7953","0.001","21.8368","0.0019","9.4439","0.0008","90","","113.58","0.002","90","","2040.4","0.3","173","2","173","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","diethyl 2-acetamido-2-(2-(difluoromethylene)-4-phenylbut-3-yn-1-yl)malonate","","- C20 H21 F2 N O5 -","- C20 H21 F2 N O5 -","- C80 H84 F8 N4 O20 -","4","1","","Yang, Jieru; Zhou, Xiaofan; Zeng, Yu; Huang, Chaoqian; Xiao, Yuanjing; Zhang, Junliang","Divergent synthesis from reactions of 2-trifluoromethyl-1,3-conjugated enynes with N-acetylated 2-aminomalonates.","Organic & biomolecular chemistry","2017","15","10","2253","2258","10.1039/c6ob02749k","","","0.71073","MoKα","","0.0788","0.0449","","","0.1094","0.1313","","","","","","1.028","","","","has coordinates","194918","2020-10-21","18:00:00",""
"7155553","5.6783","0.0002","18.1808","0.0007","34.1983","0.0014","90","","90","","90","","3530.5","0.2","300","2","300","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C20 H20 O5 -","- C20 H20 O5 -","- C160 H160 O40 -","8","2","","Lian, Xiao-Lei; Adili, Alafate; Liu, Bin; Tao, Zhong-Lin; Han, Zhi-Yong","Enantioselective [4 + 1] cycloaddition of ortho-quinone methides and bromomalonates under phase-transfer catalysis.","Organic & biomolecular chemistry","2017","15","17","3670","3673","10.1039/c7ob00484b","","","1.54184","CuKα","","0.0592","0.0542","","","0.1417","0.1465","","","","","","1.034","","","","has coordinates","196500","2020-10-21","18:00:00",""
"7155554","6.071","0.0003","15.0757","0.0009","25.2963","0.0014","90","","92.595","0.003","90","","2312.9","0.2","200","2","200","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C24 H26 O4 S2 -","- C24 H26 O4 S2 -","- C96 H104 O16 S8 -","4","1","","Fensterbank, Louis; Guelen, Simon; Blazejak, Max; Chamoreau, Lise-Marie; Arnaud, Huguet; Derenne, Sylvie; Volatron, Francois; Mansuy, Virgine","Photochemical Studies on Bis-Sulfide and -Sulfone Tethered Polyenic Derivatives","Org. Biomol. Chem.","2017","","","","","10.1039/C7OB00551B","","","1.54178","CuKα","","0.0432","0.0329","","","0.0856","0.0908","","","","","","1.035","","","","has coordinates","195233","2020-10-21","18:00:00",""
"7155555","6.2958","0.0001","40.1116","0.0009","10.5256","0.0002","90","","97.68","0.002","90","","2634.24","0.09","200","2","200","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C24 H23 Na O10 S4 -","- C24 H23 Na O10 S4 -","- C96 H92 Na4 O40 S16 -","4","1","","Fensterbank, Louis; Guelen, Simon; Blazejak, Max; Chamoreau, Lise-Marie; Arnaud, Huguet; Derenne, Sylvie; Volatron, Francois; Mansuy, Virgine","Photochemical Studies on Bis-Sulfide and -Sulfone Tethered Polyenic Derivatives","Org. Biomol. Chem.","2017","","","","","10.1039/C7OB00551B","","","1.54178","CuKα","","0.0719","0.0435","","","0.0941","0.1064","","","","","","1.029","","","","has coordinates","195233","2020-10-21","18:00:00",""
"7155556","22.865","0.006","20.08","0.004","10.665","0.002","90","","93.607","0.018","90","","4886.9","1.9","200","2","200","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C24 H26 O8 S2 -","- C24 H26 O8 S2 -","- C192 H208 O64 S16 -","8","2","","Fensterbank, Louis; Guelen, Simon; Blazejak, Max; Chamoreau, Lise-Marie; Arnaud, Huguet; Derenne, Sylvie; Volatron, Francois; Mansuy, Virgine","Photochemical Studies on Bis-Sulfide and -Sulfone Tethered Polyenic Derivatives","Org. Biomol. Chem.","2017","","","","","10.1039/C7OB00551B","","","1.54178","CuKα","","0.1093","0.0833","","","0.2177","0.2375","","","","","","1.067","","","","has coordinates,has disorder","195233","2020-10-21","18:00:00",""
"7155557","5.9549","0.0002","15.3259","0.0004","21.7847","0.0006","90","","93.458","0.002","90","","1984.54","0.1","200","2","200","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C20 H22 O4 S2 -","- C20 H22 O4 S2 -","- C80 H88 O16 S8 -","4","1","","Fensterbank, Louis; Guelen, Simon; Blazejak, Max; Chamoreau, Lise-Marie; Arnaud, Huguet; Derenne, Sylvie; Volatron, Francois; Mansuy, Virgine","Photochemical Studies on Bis-Sulfide and -Sulfone Tethered Polyenic Derivatives","Org. Biomol. Chem.","2017","","","","","10.1039/C7OB00551B","","","1.54178","CuKα","","0.0404","0.0319","","","0.0842","0.089","","","","","","1.05","","","","has coordinates","195233","2020-10-21","18:00:00",""
"7155558","13.8437","0.0004","12.6589","0.0004","8.7099","0.0002","90","","100.811","0.002","90","","1499.28","0.07","200","2","200","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C16 H14 O2 S2 -","- C16 H14 O2 S2 -","- C64 H56 O8 S8 -","4","1","","Fensterbank, Louis; Guelen, Simon; Blazejak, Max; Chamoreau, Lise-Marie; Arnaud, Huguet; Derenne, Sylvie; Volatron, Francois; Mansuy, Virgine","Photochemical Studies on Bis-Sulfide and -Sulfone Tethered Polyenic Derivatives","Org. Biomol. Chem.","2017","","","","","10.1039/C7OB00551B","","","1.54178","CuKα","","0.0514","0.0386","","","0.0956","0.101","","","","","","1.116","","","","has coordinates","195233","2020-10-21","18:00:00",""
"7155559","7.2168","0.0002","16.2188","0.0004","25.3953","0.0006","100.65","0.001","92.438","0.001","101.714","0.001","2850.51","0.13","200","2","200","2","","","","","","","","4","P -1","-P 1","2","","","","- C24 H26 O8 S2 -","- C24 H26 O8 S2 -","- C96 H104 O32 S8 -","4","2","","Fensterbank, Louis; Guelen, Simon; Blazejak, Max; Chamoreau, Lise-Marie; Arnaud, Huguet; Derenne, Sylvie; Volatron, Francois; Mansuy, Virgine","Photochemical Studies on Bis-Sulfide and -Sulfone Tethered Polyenic Derivatives","Org. Biomol. Chem.","2017","","","","","10.1039/C7OB00551B","","","0.71073","MoKα","","0.0993","0.055","","","0.1696","0.2064","","","","","","0.812","","","","has coordinates","195233","2020-10-21","18:00:00",""
"7155560","11.8441","0.0004","11.9103","0.0005","13.4579","0.0005","90","","90","","90","","1898.46","0.12","296","2","296","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C21 H25 N O2 S -","- C21 H25 N O2 S -","- C84 H100 N4 O8 S4 -","4","1","","Chung, Min-Ching; Chan, Yung-Hsiang; Chang, Wen-Jung; Hou, Duen-Ren","Synthesis of 2,3-dihydro-1H-pyrroles by intramolecular cyclization of N-(3-butynyl)-sulfonamides.","Organic & biomolecular chemistry","2017","15","17","3783","3790","10.1039/c7ob00528h","","","0.71073","MoKα","","0.0544","0.0379","","","0.0808","0.0882","","","","","","1.027","","","","has coordinates","196501","2020-10-21","18:00:00",""
"7155561","9.35","0.004","8.514","0.003","18.643","0.007","90","","103.789","0.018","90","","1441.3","1","100","2","100","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C19 H13 N O3 -","- C19 H13 N O3 -","- C76 H52 N4 O12 -","4","1","","Midya, Siba Prasad; Gopi, Elumalai; Satam, Nishikant; Namboothiri, Irishi N. N.","Synthesis of fused cyanopyrroles and spirocyclopropanes via addition of N-ylides to chalconimines.","Organic & biomolecular chemistry","2017","15","17","3616","3627","10.1039/c7ob00529f","","","0.71073","MoKα","","0.0928","0.0536","","","0.1183","0.1503","","","","","","0.975","","","","has coordinates","211196","2020-10-21","18:00:00",""
"7155562","7.199","0.003","13.738","0.005","30.836","0.012","90","","90","","90","","3050","2","100","2","100","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C20 H16 N2 O -","- C20 H16 N2 O -","- C160 H128 N16 O8 -","8","2","","Midya, Siba Prasad; Gopi, Elumalai; Satam, Nishikant; Namboothiri, Irishi N. N.","Synthesis of fused cyanopyrroles and spirocyclopropanes via addition of N-ylides to chalconimines.","Organic & biomolecular chemistry","2017","15","17","3616","3627","10.1039/c7ob00529f","","","0.71075","MoKα","","0.0625","0.0539","","","0.1276","0.1344","","","","","","1.017","","","","has coordinates","196504","2020-10-21","18:00:00",""
"7155563","12.0052","0.001","9.6664","0.0006","15.8157","0.0012","90","","96.318","0.008","90","","1824.2","0.2","105.3","","105.3","","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C16 H28 O3 Si -","- C16 H28 O3 Si -","- C64 H112 O12 Si4 -","4","2","","Yang, Hongguang; Liu, Xiaoyu; Li, Xiaoyu; Shi, Xiang; Yang, Feilong; Jiao, Xiaozhen; Xie, Ping","Enantioselective total synthesis of colomitides and their absolute configuration determination and structural revision.","Organic & biomolecular chemistry","2017","15","17","3728","3735","10.1039/c7ob00539c","","","1.5418","CuKα","","0.0456","0.0404","","","0.107","0.1142","","","","","","1.036","","","","has coordinates","196507","2020-10-21","18:00:00",""
"7155564","9.9108","0.0003","9.8191","0.0003","18.3013","0.0006","90","","91.679","0.003","90","","1780.23","0.1","104.6","","104.6","","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C16 H28 O3 Si -","- C16 H28 O3 Si -","- C64 H112 O12 Si4 -","4","2","","Yang, Hongguang; Liu, Xiaoyu; Li, Xiaoyu; Shi, Xiang; Yang, Feilong; Jiao, Xiaozhen; Xie, Ping","Enantioselective total synthesis of colomitides and their absolute configuration determination and structural revision.","Organic & biomolecular chemistry","2017","15","17","3728","3735","10.1039/c7ob00539c","","","1.5418","CuKα","","0.0597","0.0579","","","0.1552","0.1572","","","","","","1.099","","","","has coordinates","196507","2020-10-21","18:00:00",""
"7155565","8.1512","0.001","16.7902","0.0019","9.2892","0.0011","90","","97.105","0.002","90","","1261.6","0.3","296","","296.15","","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C11 H10 Br N O4 S -","- C11 H10 Br N O4 S -","- C44 H40 Br4 N4 O16 S4 -","4","1","","Wang, Ruijia; Xiang, Jiannan; Zou, Huaxu; Xiong, Yi; Yi, Niannian; Deng, Wei","PhI(OAc)2-Mediated 1,2-Aminohalogenation of Alkynes: A General Access to (E)-4-(Halomethylene)oxazolidin-2-ones","Org. Biomol. Chem.","2017","","","","","10.1039/C7OB00509A","","","0.71073","MoKα","","0.0719","0.0426","","","0.0979","0.1101","","","","","","1.044","","","","has coordinates","195257","2020-10-21","18:00:00",""
"7155566","5.2978","0.0003","8.3344","0.0003","37.1632","0.0015","90","","91.094","0.004","90","","1640.6","0.13","200","1","200","1","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C17 H14 F3 N O2 S -","- C17 H14 F3 N O2 S -","- C68 H56 F12 N4 O8 S4 -","4","1","","Espinosa, Miguel; Herrera, Jorge; Blay, Gonzalo; Cardona, Luz; Muñoz, M Carmen; Pedro, Jose R.","Copper-Catalysed Enantioselective Michael Addition of Malonic Esters to β-Trifluoromethyl-α,β-Unsaturated Imines","Org. Biomol. Chem.","2017","","","","","10.1039/C7OB00595D","","","0.71073","MoKα","","0.1031","0.0615","","","0.1254","0.1466","","","","","","1.028","","","","has coordinates","195258","2020-10-21","18:00:00",""
"7155567","9.68066","0.00015","12.6194","0.0002","18.5137","0.0004","90","","90","","90","","2261.71","0.07","200","1","200","1","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C22 H22 F3 N O6 S -","- C22 H22 F3 N O6 S -","- C88 H88 F12 N4 O24 S4 -","4","1","","Espinosa, Miguel; Herrera, Jorge; Blay, Gonzalo; Cardona, Luz; Muñoz, M Carmen; Pedro, Jose R.","Copper-Catalysed Enantioselective Michael Addition of Malonic Esters to β-Trifluoromethyl-α,β-Unsaturated Imines","Org. Biomol. Chem.","2017","","","","","10.1039/C7OB00595D","","","0.71073","MoKα","","0.0565","0.0422","","","0.0894","0.0991","","","","","","1.028","","","","has coordinates","195258","2020-10-21","18:00:00",""
"7155568","14.32966","0.00013","8.77119","0.00008","14.61018","0.00013","90","","90","","90","","1836.33","0.03","100","","100","","","","","","","","","4","P n a 21","P 2c -2n","33","","","","- C10 H11 N O2 -","- C10 H11 N O2 -","- C80 H88 N8 O16 -","8","2","","Lebel, Helene; Mamani Laparra, Laura; Khalifa, Maroua; Trudel, Carl; Audubert, Clément; Szponarski, Mathieu; Dicaire-Leduc, Cédric; Azek, Emna; Ernzerhof, Matthias","Synthesis of Oxazolidinones: Rhodium-Catalyzed C‒H Amination of N-Mesyloxycarbamates.","Org. Biomol. Chem.","2017","","","","","10.1039/C7OB00378A","","x-ray","1.54178","CuKα","","0.0281","0.0279","","","0.0738","0.0742","","","","","","1.061","","","","has coordinates","195279","2020-10-21","18:00:00",""
"7155569","15.04","0.0004","6.0462","0.0002","12.0358","0.0003","90","","93.0384","0.0011","90","","1092.94","0.05","150","","150","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C11 H19 N O2 -","- C11 H19 N O2 -","- C44 H76 N4 O8 -","4","1","","Lebel, Helene; Mamani Laparra, Laura; Khalifa, Maroua; Trudel, Carl; Audubert, Clément; Szponarski, Mathieu; Dicaire-Leduc, Cédric; Azek, Emna; Ernzerhof, Matthias","Synthesis of Oxazolidinones: Rhodium-Catalyzed C‒H Amination of N-Mesyloxycarbamates.","Org. Biomol. Chem.","2017","","","","","10.1039/C7OB00378A","","x-ray","1.34139","GaKα","","0.0516","0.0481","","","0.1186","0.1223","","","","","","1.099","","","","has coordinates","195279","2020-10-21","18:00:00",""
"7155570","5.5901","0.0001","10.1207","0.0002","40.4585","0.0008","90","","90","","90","","2288.97","0.08","130","2","130","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","(R)-Ethyl 4-(4-iodophenyl)-1-(4-methoxybenzyl)-2-methyl-1,4-dihydroquinoline-3-carboxylate","","- C27 H26 I N O3 -","- C27 H26 I N O3 -","- C108 H104 I4 N4 O12 -","4","1","","Hodík, Tomáš; Schneider, Christoph","Brønsted acid-catalyzed, enantioselective synthesis of 1,4-dihydroquinoline-3-carboxylates via in situ generated ortho-quinone methide imines.","Organic & biomolecular chemistry","2017","15","17","3706","3716","10.1039/c7ob00488e","","x-ray","0.71073","MoKα","","0.0298","0.0262","","","0.0496","0.0509","","","","","","1.052","","","","has coordinates","196503","2020-10-21","18:00:00",""
"7155571","11.682","0.0006","7.2674","0.0004","20.0741","0.001","90","","103.443","0.004","90","","1657.55","0.15","173","2","173","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C20 H23 N O3 -","- C20 H23 N O3 -","- C80 H92 N4 O12 -","4","1","","Karunaratne, Chamini; Sarkisian, Ryan G.; Reeves, Jennifer; Deng, Yongming; Wheeler, Kraig A.; Wang, Hong","Multicomponent Reaction through Cooperative Trio Catalysis Incorporating Enamine, Brønsted Acid and Metal Lewis Acid Catalysis: A Concise Route to Access Chromans","Org. Biomol. Chem.","2017","","","","","10.1039/C7OB00753A","","","1.54178","CuKα","","0.0935","0.0634","","","0.1481","0.1652","","","","","","1.044","","","","has coordinates","195281","2020-10-21","18:00:00",""
"7155572","12.869","0.002","14.38","0.003","10.957","0.002","90","","108.813","0.004","90","","1919.3","0.6","296","2","296","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C21 H17 Br N2 O3 -","- C21 H17 Br N2 O3 -","- C84 H68 Br4 N8 O12 -","4","1","","Ni, Chunjie; Yuan, Yuejie; Zhang, Yuwen; Chen, Jiangfei; Wang, Dong; Tong, Xiaofeng","Polycycle Construction via DMAP-Catalysed Tandem Addition-(4+2) Annulation Sequence of δ-Acetoxy Allenoate","Org. Biomol. Chem.","2017","","","","","10.1039/C7OB00688H","","","0.71073","MoKα","","0.0799","0.0486","","","0.1308","0.1561","","","","","","0.963","","","","has coordinates","195326","2020-10-21","18:00:00",""
"7155573","7.0562","0.0013","9.0008","0.0013","12.13","0.002","90.532","0.013","92.165","0.015","100.461","0.014","756.9","0.2","297","2","297","2","","","","","","","","3","P -1","-P 1","2","","","","- C20 H16 N2 -","- C20 H16 N2 -","- C40 H32 N4 -","2","1","","Delaye, Pierre-Olivier; Pénichon, Mélanie; Allouchi, Hassan; Enguehard-Gueiffier, Cecile; Gueiffier, Alain","Regiocontrolled functionalization of 2,3-dihalogenoimidazo[1,2-a]pyridines by Suzuki-Miyaura and Sonogashira cross-coupling reactions","Org. Biomol. Chem.","2017","","","","","10.1039/C7OB00624A","","x-ray","0.71073","MoKα","","0.1178","0.0709","","","0.1648","0.2152","","","","","","1.013","","","","has coordinates","195339","2020-10-21","18:00:00",""
"7155574","11.4817","0.0006","11.8623","0.0007","12.3995","0.0007","76.664","0.005","63.649","0.006","70.861","0.005","1422.43","0.16","150","","150","","","","","","","","","4","P -1","-P 1","2","","","","- C33 H40 N2 O4 -","- C33 H40 N2 O4 -","- C66 H80 N4 O8 -","2","1","","Huang, Huan-Ming; Bonilla, Pablo; Procter, David John","Selective Construction of Quaternary Stereocentres in Radical Cyclisation Cascades triggered by electron-transfer reduction of amide-type carbonyls","Org. Biomol. Chem.","2017","","","","","10.1039/C7OB00739F","","x-ray","0.71073","MoKα","","0.1365","0.0741","","","0.1649","0.2091","","","","","","1.069","","","","has coordinates,has disorder","195411","2020-10-21","18:00:00",""
"7155575","11.6196","0.0007","13.8475","0.0008","21.0449","0.0012","89.1","0.005","83.969","0.005","83.67","0.005","3346.9","0.3","150.02","0.1","150.02","0.1","","","","","","","","5","P -1","-P 1","2","","","","- C72 H82 F12 N4 O4 -","- C72 H82 F12 N4 O4 -","- C144 H164 F24 N8 O8 -","2","1","","Huang, Huan-Ming; Bonilla, Pablo; Procter, David John","Selective Construction of Quaternary Stereocentres in Radical Cyclisation Cascades triggered by electron-transfer reduction of amide-type carbonyls","Org. Biomol. Chem.","2017","","","","","10.1039/C7OB00739F","","x-ray","0.71073","MoKα","","0.1656","0.095","","","0.2256","0.2787","","","","","","1.034","","","","has coordinates,has disorder","195411","2020-10-21","18:00:00",""
"7155576","10.2079","0.0018","10.4253","0.0016","11.4032","0.0019","90","","97.286","0.006","90","","1203.7","0.3","296","2","296","2","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C27 H28 Br N O3 S -","- C27 H28 Br N O3 S -","- C54 H56 Br2 N2 O6 S2 -","2","1","","Hou, Longlei; Yuan, Yuejie; Tong, Xiaofeng","Pd(0)-catalysed asymmetric reductive Heck-type cyclization of (Z)-1-iodo-1,6-diene: enantioselective synthesis of quaternary tetrahydropyridines","Org. Biomol. Chem.","2017","","","","","10.1039/C7OB00762K","","","0.71073","MoKα","","0.0466","0.0403","","","0.0949","0.0978","","","","","","1.022","","","","has coordinates","195412","2020-10-21","18:00:00",""
"7155577","19.4281","0.0004","8.92102","0.00013","11.7047","0.0002","90","","105.986","0.002","90","","1950.19","0.06","107.8","0.4","107.8","0.4","","","","","","","","5","C 1 2 1","C 2y","5","","","","- C16 H24 Br O5 P -","- C16 H24 Br O5 P -","- C64 H96 Br4 O20 P4 -","4","1","","Vamisetti, Ganga B.; Chowdhury, Raghunath; Ghosh, Sunil Kumar","Organocatalytic Decarboxylative Aldol Reaction of β-Ketoacids with α-Ketophosphonates en route for the Enantioselective Synthesis of Tertiary α-Hydroxyphosphonates","Org. Biomol. Chem.","2017","","","","","10.1039/C7OB00796E","","x-ray","1.54184","CuKα","","0.0644","0.0585","","","0.148","0.1709","","","","","","1.136","","","","has coordinates","195413","2020-10-21","18:00:00",""
"7155578","13.255","0.002","15.682","0.003","17.83","0.003","87.669","0.01","72.107","0.009","70.902","0.009","3325.5","1","296","2","296","2","","","","","","","","4","P -1","-P 1","2","","","","- C2.24 H2.15 N0.24 O0.21 -","- C2.23881 H2.14925 N0.238806 O0.208955 -","- C150 H144 N16 O14 -","67","33.5","","Cui, Hai-Lei; Wang, Jiang-Fang; Zhou, Hai-Lin; You, Xiao-Lin; Jiang, Xiao-Jie","Catalyst-free Synthesis of Novel Dimeric β-Carboline Derivatives via An Unexpected [2 + 2 + 2] Annulation","Org. Biomol. Chem.","2017","","","","","10.1039/C7OB00689F","","","0.71073","MoKα","","0.2105","0.1099","","","0.2901","0.3683","","","","","","1.025","","","","has coordinates","195414","2020-10-21","18:00:00",""
"7155579","12.8205","0.0004","8.93","0.0003","16.3199","0.0006","90","","93.109","0.003","90","","1865.67","0.11","100","2","100","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C22 H20 N2 O4 -","- C22 H20 N2 O4 -","- C88 H80 N8 O16 -","4","1","","Shoji, Taku; Sugiyama, Shuhei; Araki, Takanori; Ohta, Akira; Sekiguchi, Ryuta; Ito, Shunji; Mori, Shigeki; Okujima, Tetsuo","Synthesis of 2-amino- and 2-arylazoazulenes via nucleophilic aromatic substitution of 2-chloroazulenes with amines and arylhydrazines","Org. Biomol. Chem.","2017","","","","","10.1039/C7OB00691H","","","0.71075","MoKα","","0.0577","0.0428","","","0.093","0.1004","","","","","","1.049","","","","has coordinates,has disorder","195415","2020-10-21","18:00:00",""
"7155580","15.5798","0.0006","15.4279","0.0008","16.6633","0.0007","90","","90.085","0.004","90","","4005.2","0.3","100","2","100","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C23 H22 N2 O4 -","- C23 H22 N2 O4 -","- C184 H176 N16 O32 -","8","4","","Shoji, Taku; Sugiyama, Shuhei; Araki, Takanori; Ohta, Akira; Sekiguchi, Ryuta; Ito, Shunji; Mori, Shigeki; Okujima, Tetsuo","Synthesis of 2-amino- and 2-arylazoazulenes via nucleophilic aromatic substitution of 2-chloroazulenes with amines and arylhydrazines","Org. Biomol. Chem.","2017","","","","","10.1039/C7OB00691H","","","0.71075","MoKα","","0.1309","0.0647","","","0.1216","0.1448","","","","","","1.01","","","","has coordinates,has disorder","195415","2020-10-21","18:00:00",""
"7155581","18.8735","0.001","9.5367","0.0004","27.4383","0.0017","90","","104.585","0.006","90","","4779.5","0.5","100","0.1","100","0.1","","","","","","","","4","C 1 2 1","C 2y","5","","","","- C23 H36 N2 O6 -","- C23 H36 N2 O6 -","- C184 H288 N16 O48 -","8","2","","Paikar, Arpita; Debnath, Mintu; Podder, Debasish; Sasmal, Supriya; Haldar, Debasish","Synthesis and structural investigation of 2-aminomethyl-3-(4-methoxy-phenyl)-propionic acid containing peptide analogue of amyloidogenic AS(6-7) sequence: Inhibition of fibril formation","Org. Biomol. Chem.","2017","","","","","10.1039/C7OB00797C","","","0.71073","","","0.050435","0.046071","","","","0.159827","","","","","","1.16679","","","","has coordinates","195536","2020-10-21","18:00:00",""
"7155582","19.4462","0.0007","10.2917","0.0004","9.0894","0.0002","90","","99.477","0.003","90","","1794.27","0.1","293","2","293","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C17 H25 N O5 -","- C17 H25 N O5 -","- C68 H100 N4 O20 -","4","1","","Paikar, Arpita; Debnath, Mintu; Podder, Debasish; Sasmal, Supriya; Haldar, Debasish","Synthesis and structural investigation of 2-aminomethyl-3-(4-methoxy-phenyl)-propionic acid containing peptide analogue of amyloidogenic AS(6-7) sequence: Inhibition of fibril formation","Org. Biomol. Chem.","2017","","","","","10.1039/C7OB00797C","","x-ray","0.71073","MoKα","","0.0681","0.0522","","","0.1157","0.1232","","","","","","1.096","","","","has coordinates","195536","2020-10-21","18:00:00",""
"7155583","10.8333","0.0004","18.5688","0.0006","11.5795","0.0004","90","","104.444","0.004","90","","2255.72","0.14","100","0.1","100","0.1","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C21 H32 N2 O5 -","- C21 H32 N2 O5 -","- C84 H128 N8 O20 -","4","2","","Paikar, Arpita; Debnath, Mintu; Podder, Debasish; Sasmal, Supriya; Haldar, Debasish","Synthesis and structural investigation of 2-aminomethyl-3-(4-methoxy-phenyl)-propionic acid containing peptide analogue of amyloidogenic AS(6-7) sequence: Inhibition of fibril formation","Org. Biomol. Chem.","2017","","","","","10.1039/C7OB00797C","","x-ray","0.71073","MoKα","","0.0442","0.041","","","0.109","0.1115","","","","","","1.122","","","","has coordinates","195536","2020-10-21","18:00:00",""
"7155584","25.1584","0.0008","25.1584","0.0008","24.8801","0.0007","90","","90","","120","","13637.9","0.7","100","0.1","100","0.1","","","","","","","","4","P 65","P 65","170","","","","- C21 H32 N2 O5 -","- C21 H32 N2 O5 -","- C378 H576 N36 O90 -","18","3","","Paikar, Arpita; Debnath, Mintu; Podder, Debasish; Sasmal, Supriya; Haldar, Debasish","Synthesis and structural investigation of 2-aminomethyl-3-(4-methoxy-phenyl)-propionic acid containing peptide analogue of amyloidogenic AS(6-7) sequence: Inhibition of fibril formation","Org. Biomol. Chem.","2017","","","","","10.1039/C7OB00797C","","x-ray","0.71073","MoKα","","0.0736","0.0584","","","0.1484","0.1562","","","","","","1.052","","","","has coordinates","195536","2020-10-21","18:00:00",""
"7155585","10.1366","0.0008","13.6377","0.001","10.5947","0.0008","90","","97.508","0.002","90","","1452.05","0.19","193","2","193","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C15 H14 Br N O3 -","- C15 H14 Br N O3 -","- C60 H56 Br4 N4 O12 -","4","1","","Peng, Cheng; Zhai, Jiaojiao; Xue, Mingqiang; Xu, Fan","Lanthanide amide-catalyzed one-pot functionalization of isatins: synthesis of spiro[cyclopropan-1,3′-oxindoles] and 2-oxoindolin-3-yl phosphates","Org. Biomol. Chem.","2017","","","","","10.1039/C7OB00640C","","","0.71073","MoKα","","0.1188","0.0602","","","0.106","0.1243","","","","","","1.085","","","","has coordinates,has disorder","195537","2020-10-21","18:00:00",""
"7155586","10.8908","0.0004","11.0249","0.0004","13.2194","0.0005","88.096","0.002","71.104","0.002","72.794","0.002","1431.06","0.09","153","2","153","2","","","","","","","","5","P -1","-P 1","2","","","","- C15 H14 Cl N O3 -","- C15 H14 Cl N O3 -","- C60 H56 Cl4 N4 O12 -","4","2","","Peng, Cheng; Zhai, Jiaojiao; Xue, Mingqiang; Xu, Fan","Lanthanide amide-catalyzed one-pot functionalization of isatins: synthesis of spiro[cyclopropan-1,3′-oxindoles] and 2-oxoindolin-3-yl phosphates","Org. Biomol. Chem.","2017","","","","","10.1039/C7OB00640C","","","0.71073","MoKα","","0.1","0.048","","","0.085","0.0994","","","","","","1.01","","","","has coordinates","195537","2020-10-21","18:00:00",""
"7155587","9.9666","0.0005","17.1779","0.0008","11.1475","0.0005","90","","111.554","0.002","90","","1775.05","0.15","153","2","153","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C22 H21 N O3 -","- C22 H21 N O3 -","- C88 H84 N4 O12 -","4","1","","Peng, Cheng; Zhai, Jiaojiao; Xue, Mingqiang; Xu, Fan","Lanthanide amide-catalyzed one-pot functionalization of isatins: synthesis of spiro[cyclopropan-1,3′-oxindoles] and 2-oxoindolin-3-yl phosphates","Org. Biomol. Chem.","2017","","","","","10.1039/C7OB00640C","","","0.71073","MoKα","","0.059","0.0431","","","0.0977","0.106","","","","","","1.075","","","","has coordinates","195537","2020-10-21","18:00:00",""
"7155588","9.1949","0.0013","10.8105","0.0016","13.5437","0.0019","100.222","0.003","97.215","0.003","111.349","0.003","1207.1","0.3","296","2","296","2","","","","","","","","5","P -1","-P 1","2","","","","- C25 H25 N O5 S2 -","- C25 H25 N O5 S2 -","- C50 H50 N2 O10 S4 -","2","1","","Zhao, Yuyang; Wang, Yurong; Gu, Zhanshou; Wang, Zhiming","[3, 3]-Sigmatropic Rearrangement of Allenic Alcohols: Stereoselective Synthesis of 1,3-Diene-2-ol Sulfonates","Org. Biomol. Chem.","2017","","","","","10.1039/C7OB00578D","","","0.71073","MoKα","","0.0584","0.0498","","","0.1583","0.1835","","","","","","1.036","","","","has coordinates","195538","2020-10-21","18:00:00",""
"7155589","10.141","0.002","17.015","0.004","14.611","0.002","90","","132.351","0.008","90","","1863.2","0.7","293","2","293","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C20 H20 O5 S -","- C20 H20 O5 S -","- C80 H80 O20 S4 -","4","1","","Zhao, Yuyang; Wang, Yurong; Gu, Zhanshou; Wang, Zhiming","[3, 3]-Sigmatropic Rearrangement of Allenic Alcohols: Stereoselective Synthesis of 1,3-Diene-2-ol Sulfonates","Org. Biomol. Chem.","2017","","","","","10.1039/C7OB00578D","","","0.71073","MoKα","","0.0552","0.0452","","","0.111","0.1165","","","","","","1.074","","","","has coordinates","195538","2020-10-21","18:00:00",""
"7155590","8.53511","0.00016","13.4671","0.0002","18.5695","0.0003","90","","103.033","0.0018","90","","2079.46","0.06","293.3","0.2","293.3","0.2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C21 H18 Cl N O5 S -","- C21 H19 Cl N2 O4 S -","- C84 H76 Cl4 N8 O16 S4 -","4","1","","Li, Honghe; Li, Xiao-Xiao; Zhao, Zhi-Gang; Yuan, Xiao; Sun, Chenyang","Regioselective 1,2-additon of allenamides with N-haloimides: synthesis of 2-halo allylic aminal derivatives","Org. Biomol. Chem.","2017","","","","","10.1039/C7OB00882A","","x-ray","1.54184","CuKα","","0.0558","0.0531","","","0.1455","0.1489","","","","","","1.06","","","","has coordinates","195618","2020-10-21","18:00:00",""
"7155591","18.9341","0.0008","18.9341","0.0008","38.159","0.003","90","","90","","90","","13680","1.4","103","2","103","2","","","","","","","","5","P 4/n n c","-P 4a 2bc","126","","","","- C200 H152 N16 O40 Pd4 -","- C200 H152 N16 O40 Pd4 -","- C400 H304 N32 O80 Pd8 -","2","","","Sekiya, Ryo; Fukuda, Morihiko; Kuroda, Reiko","Site-selective anion recognition of an interlocked dimer","Org. Biomol. Chem.","2017","","","","","10.1039/C7OB00328E","","x-ray","0.71073","MoKα","","0.1215","0.0741","","","0.2021","0.2323","","","","","","1","","","","has coordinates,has disorder","195649","2020-10-21","18:00:00",""
"7155592","18.9525","0.0012","18.9525","0.0012","38.292","0.004","90","","90","","90","","13754.4","1.9","103","2","103","2","","","","","","","","5","P 4/n n c","-P 4a 2bc","126","","","","- C200 H160 N16 O40 Pd4 -","- C200 H160 N16 O40 Pd4 -","- C400 H320 N32 O80 Pd8 -","2","","","Sekiya, Ryo; Fukuda, Morihiko; Kuroda, Reiko","Site-selective anion recognition of an interlocked dimer","Org. Biomol. Chem.","2017","","","","","10.1039/C7OB00328E","","x-ray","0.71073","MoKα","","0.1409","0.099","","","0.2835","0.3174","","","","","","1.092","","","","has coordinates,has disorder","195649","2020-10-21","18:00:00",""
"7155593","6.0667","0.0005","15.3771","0.0013","13.1958","0.0011","90","","93.36","0.003","90","","1228.9","0.18","150","2","150","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C14 H9.43 Cl1.58 N O2 -","- C14 H9.425 Cl1.575 N O2 -","- C56 H37.7 Cl6.3 N4 O8 -","4","1","","Liang, Dongdong; Sersen, Deanna; Yang, Chao; Deschamps, Jeffrey; Imler, Gregory H.; Jiang, Chao; Xue, Fengtian","One-Pot Sequential Reaction to 2-Substituted-Phenanthridinones from N‒Methoxybenzamides","Org. Biomol. Chem.","2017","","","","","10.1039/C7OB00649G","","","0.71073","MoKα","","0.0975","0.0622","","","0.1241","0.1343","","","","","","1.189","","","","has coordinates,has disorder","195775","2020-10-21","18:00:00",""
"7155594","8.7653","0.0011","15.5191","0.0017","16.6792","0.0018","67.964","0.01","75.967","0.01","74.401","0.01","2000","0.4","170","2","170","2","","","","","","","","4","P -1","-P 1","2","","","","- C38 H52 N2 O16 -","- C38 H52 N2 O16 -","- C76 H104 N4 O32 -","2","1","","Lavie-Cambot, Aurélie; Tron, Arnaud; Ducrot, Aurelien; Castet, Frederic; Kauffmann, Brice; Beauté, Louis; Allouchi, Hassan; Pozzo, Jean-Luc; Bonnet, Célia; McClenaghan, Nathan D.","Synthetic water soluble di-/tritopic molecular receptors exhibiting Ca2+/Mg2+ exchange","Org. Biomol. Chem.","2017","","","","","10.1039/C6OB02732F","","","0.71073","MoKα","","0.0882","0.0456","","","0.1089","0.1179","","","","","","0.937","","","","has coordinates,has disorder","195776","2020-10-21","18:00:00",""
"7155595","12.0268","0.0004","13.3697","0.0006","13.7604","0.0005","105.516","0.003","103.403","0.003","112.129","0.004","1832.72","0.16","170","2","170","2","","","","","","","","4","P -1","-P 1","2","","","","- C35 H47 N2 O13 -","- C35 H47 N2 O13 -","- C70 H94 N4 O26 -","2","1","","Lavie-Cambot, Aurélie; Tron, Arnaud; Ducrot, Aurelien; Castet, Frederic; Kauffmann, Brice; Beauté, Louis; Allouchi, Hassan; Pozzo, Jean-Luc; Bonnet, Célia; McClenaghan, Nathan D.","Synthetic water soluble di-/tritopic molecular receptors exhibiting Ca2+/Mg2+ exchange","Org. Biomol. Chem.","2017","","","","","10.1039/C6OB02732F","","","0.71073","MoKα","","0.0729","0.0424","","","0.116","0.1364","","","","","","1.005","","","","has coordinates,has disorder","195776","2020-10-21","18:00:00",""
"7155596","15.8422","0.0017","15.8422","0.0017","11.1926","0.0012","90","","90","","120","","2432.7","0.5","130","","130","","","","","","","","organic synthesis","4","P 65","P 65","170","methyl 5-chloro-3-oxo-2-(4-oxopentan-2-yl)-2,3-dihydrobenzofuran-2-carboxylate","methyl 5-chloro-3-oxo-2-(4-oxopentan-2-yl)-2,3-dihydrobenzofuran-2-carboxylate","","- C15 H15 Cl O5 -","- C15 H15 Cl O5 -","- C90 H90 Cl6 O30 -","6","1","","Wang, Haojiang; Wang, Yifeng; Zhang, Cheng; Jiang, Yidong; Chu, Mingming; Li, Zhaobo; Du, Xiaohua; Xu, Danqian","Asymmetric conjugate additions of 2-substituted benzofuran-3(2H)-ones to α,β-unsaturated ketones catalyzed by chiral copper complexes","Org. Biomol. Chem.","2017","","","","","10.1039/C7OB00677B","","","0.71073","MoKα","","0.0719","0.0535","","","0.1541","0.1733","","","","","","0.924","","","","has coordinates,has disorder","195800","2020-10-21","18:00:00",""
"7155597","12.1722","0.0002","12.4739","0.0003","14.8531","0.0003","66.9784","0.001","77.9463","0.001","76.9647","0.001","2003.74","0.07","296","2","296","2","","","","","","","","4","P -1","-P 1","2","","","","- C21.5 H20 N6 O3.5 -","- C21.5 H20 N6 O3.5 -","- C86 H80 N24 O14 -","4","2","","Behera, Harekrushna; V, Ramkumar; Madhavan, Nandita","Triamide macrocyclic chloride receptors via a one-pot tandem reduction-condensation-cyclization reaction","Org. Biomol. Chem.","2017","","","","","10.1039/C7OB00642J","","","0.71073","MoKα","","0.0712","0.0536","","","0.1436","0.161","","","","","","1.021","","","","has coordinates","202518","2020-10-21","18:00:00",""
"7155598","7.2737","0.0003","19.6223","0.0008","26.0959","0.001","90","","94.556","0.002","90","","3712.8","0.3","296","2","296","2","","","","","","","","4","P 1 2/c 1","-P 2yc","13","","","","- C42 H38 N6 O7 -","- C42 H38 N6 O7 -","- C168 H152 N24 O28 -","4","1","","Behera, Harekrushna; V, Ramkumar; Madhavan, Nandita","Triamide macrocyclic chloride receptors via a one-pot tandem reduction-condensation-cyclization reaction","Org. Biomol. Chem.","2017","","","","","10.1039/C7OB00642J","","","0.71073","MoKα","","0.1381","0.0848","","","0.2533","0.297","","","","","","1.051","","","","has coordinates","195908","2020-10-21","18:00:00",""
"7155599","9.7883","0.0003","10.7161","0.0004","12.5654","0.0004","83.489","0.002","71.694","0.002","81.618","0.002","1234.74","0.07","298","2","298","2","","","","","","","","5","P -1","-P 1","2","","","","- C24 H31 Cl2 N3 O4 -","- C24 H31 Cl2 N3 O4 -","- C48 H62 Cl4 N6 O8 -","2","1","","Hernandez Rubio, Omayra; Borrego, Sara del Mazo; Marcos Monleon, Laura; Simon, Luis; Temprano, Álvaro G.; rodriguez moran, joaquin","A cleft type receptor which combines an oxyanion hole with electrostatic interactions","Org. Biomol. Chem.","2017","","","","","10.1039/C7OB00679A","","","1.54178","CuKα","","0.0613","0.0499","","","0.1431","0.1531","","","","","","1.033","","","","has coordinates","196223","2020-10-21","18:00:00",""
"7155600","15.3308","0.0004","11.572","0.0003","15.6536","0.0005","90","","97.625","0.002","90","","2752.52","0.13","298","2","298","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C27 H35 Cl2 N3 O6 -","- C27 H35 Cl2 N3 O6 -","- C108 H140 Cl8 N12 O24 -","4","2","","Hernandez Rubio, Omayra; Borrego, Sara del Mazo; Marcos Monleon, Laura; Simon, Luis; Temprano, Álvaro G.; rodriguez moran, joaquin","A cleft type receptor which combines an oxyanion hole with electrostatic interactions","Org. Biomol. Chem.","2017","","","","","10.1039/C7OB00679A","","","1.54178","CuKα","","0.0672","0.0596","","","0.165","0.1748","","","","","","1.043","","","","has coordinates,has disorder","196223","2020-10-21","18:00:00",""
"7155601","9.0157","0.0009","14.404","0.0015","19.6135","0.0019","90","","90","","90","","2547.1","0.4","298","2","298","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C25 H33 Cl2 N3 O4 -","- C25 H33 Cl2 N3 O4 -","- C100 H132 Cl8 N12 O16 -","4","1","","Hernandez Rubio, Omayra; Borrego, Sara del Mazo; Marcos Monleon, Laura; Simon, Luis; Temprano, Álvaro G.; rodriguez moran, joaquin","A cleft type receptor which combines an oxyanion hole with electrostatic interactions","Org. Biomol. Chem.","2017","","","","","10.1039/C7OB00679A","","","1.54178","CuKα","","0.1022","0.0843","","","0.2116","0.2285","","","","","","1.116","","","","has coordinates","196223","2020-10-21","18:00:00",""
"7155602","12.2705","0.0005","15.0706","0.0006","17.1904","0.0007","90","","91.145","0.003","90","","3178.3","0.2","298","2","298","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C31 H33 Cl2 N5 O9 -","- C31 H33 Cl2 N5 O9 -","- C124 H132 Cl8 N20 O36 -","4","1","","Hernandez Rubio, Omayra; Borrego, Sara del Mazo; Marcos Monleon, Laura; Simon, Luis; Temprano, Álvaro G.; rodriguez moran, joaquin","A cleft type receptor which combines an oxyanion hole with electrostatic interactions","Org. Biomol. Chem.","2017","","","","","10.1039/C7OB00679A","","","1.54178","CuKα","","0.1737","0.1294","","","0.3075","0.3777","","","","","","2.166","","","","has coordinates","196223","2020-10-21","18:00:00",""
"7155603","8.4007","0.0006","14.3494","0.001","26.2774","0.0017","90","","90","","90","","3167.6","0.4","298","2","298","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C32 H37 Cl2 N3 O6 -","- C32 H37 Cl2 N3 O6 -","- C128 H148 Cl8 N12 O24 -","4","1","","Hernandez Rubio, Omayra; Borrego, Sara del Mazo; Marcos Monleon, Laura; Simon, Luis; Temprano, Álvaro G.; rodriguez moran, joaquin","A cleft type receptor which combines an oxyanion hole with electrostatic interactions","Org. Biomol. Chem.","2017","","","","","10.1039/C7OB00679A","","","1.54178","CuKα","","0.1339","0.0961","","","0.2332","0.2546","","","","","","1.088","","","","has coordinates","196223","2020-10-21","18:00:00",""
"7155604","10.7729","0.0006","23.4747","0.0012","28.9321","0.0017","90","","90","","90","","7316.7","0.7","298","2","298","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C34 H42 Cl2 N4 O7 S -","- C34 H42 Cl2 N4 O7 S -","- C272 H336 Cl16 N32 O56 S8 -","8","2","","Hernandez Rubio, Omayra; Borrego, Sara del Mazo; Marcos Monleon, Laura; Simon, Luis; Temprano, Álvaro G.; rodriguez moran, joaquin","A cleft type receptor which combines an oxyanion hole with electrostatic interactions","Org. Biomol. Chem.","2017","","","","","10.1039/C7OB00679A","","","1.54178","CuKα","","0.1695","0.1055","","","0.2699","0.3292","","","","","","1.004","","","","has coordinates","203412","2020-10-21","18:00:00",""
"7155605","17.4116","0.0008","19.0364","0.0009","17.372","0.0007","90","","97.836","0.003","90","","5704.3","0.4","298","2","298","2","","","","","","","","5","C 1 2 1","C 2y","5","","","","- C52 H64 Cl4 N6 O13 -","- C52 H64 Cl4 N6 O13 -","- C208 H256 Cl16 N24 O52 -","4","1","","Hernandez Rubio, Omayra; Borrego, Sara del Mazo; Marcos Monleon, Laura; Simon, Luis; Temprano, Álvaro G.; rodriguez moran, joaquin","A cleft type receptor which combines an oxyanion hole with electrostatic interactions","Org. Biomol. Chem.","2017","","","","","10.1039/C7OB00679A","","","1.54178","CuKα","","0.1078","0.0724","","","0.1928","0.2145","","","","","","1.167","","","","has coordinates","196223","2020-10-21","18:00:00",""
"7155606","14.2849","0.0004","11.9116","0.0004","19.8778","0.0006","90","","90","","90","","3382.33","0.18","296","2","296","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C22 H13 N3 O -","- C22 H13 N3 O -","- C176 H104 N24 O8 -","8","1","","Kota, Shiva Kumar; Meesa, Siddi Ramulu; Rajesham, Bandari; Kumar, Naikawadi Praveen; voora, vani; Kancha, Rama Krishna","FeCl3 catalysed 7-membered ring formation in a single pot: a new route to indole-fused oxepines/azepines and their cytotoxic activity","Org. Biomol. Chem.","2017","","","","","10.1039/C7OB00715A","","","0.71073","MoKα","","0.069","0.0418","","","0.0972","0.1086","","","","","","0.921","","","","has coordinates","196224","2020-10-21","18:00:00",""
"7155607","14.9957","0.0012","7.6225","0.0006","11.9828","0.001","90","","91.022","0.003","90","","1369.47","0.19","100","2","100","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","LWJ-161C","","","- C17 H15 N3 O -","- C17 H15 N3 O -","- C68 H60 N12 O4 -","4","1","","Li, Wenjun; Yuan, Huijun; Zhang, Lili; Liu, Zhantao; Liu, Yang; Wang, Jian","NHC-catalyzed 1,3-dipolar cycloaddition reaction of allyl ketone with azide: direct access to 1,4,5-trisubstituted 1,2,3-triazole","Org. Biomol. Chem.","2017","","","","","10.1039/C7OB00906B","","","0.71073","MoKα","","0.0472","0.0381","","","0.0883","0.0941","","","","","","1.032","","","","has coordinates","196225","2020-10-21","18:00:00",""
"7155608","18.0647","0.0012","10.9779","0.0008","15.0137","0.001","90","","109.868","0.008","90","","2800.2","0.4","123","","123","","","","","","","","","3","C 1 2/c 1","-C 2yc","15","","anti-5,17-di-tert-butyl-1,2-epoxy-1,2-dimethyl-8,20-dimethoxy[2.6]metacyclophane","","- C32 H46 O3 -","- C32 H46 O3 -","- C128 H184 O12 -","4","0.5","","Akther, Thamina; Islam, Md Monarul; Rahman, Shofiur; Georghiou, Paris E.; Matsumoto, Taisuke; Tanaka, Junji; Redshaw, Carl; Yamato, Takehiko","Synthesis and conformations of [2.n]metacyclophan-1-ene epoxides and their conversion to [n.1]metacyclophanes.","Organic & biomolecular chemistry","2017","15","16","3519","3527","10.1039/c7ob00400a","","","1.54187","CuKα","","0.2006","0.145","","","0.3909","0.4263","","","","","","1.417","","","","has coordinates","196254","2020-10-21","18:00:00",""
"7155609","18.51","0.0018","11.9741","0.0012","14.7028","0.0015","90","","113.069","0.008","90","","2998.1","0.5","123","","123","","","","","","","","","3","C 1 2/c 1","-C 2yc","15","","syn-5,19-di-tert-butyl-1,2-epoxy-1,2-dimethyl-8,22-dimethoxy[2.8]metacyclophane","","- C34 H50 O2 -","- C34 H50 O2 -","- C136 H200 O8 -","4","0.5","","Akther, Thamina; Islam, Md Monarul; Rahman, Shofiur; Georghiou, Paris E.; Matsumoto, Taisuke; Tanaka, Junji; Redshaw, Carl; Yamato, Takehiko","Synthesis and conformations of [2.n]metacyclophan-1-ene epoxides and their conversion to [n.1]metacyclophanes.","Organic & biomolecular chemistry","2017","15","16","3519","3527","10.1039/c7ob00400a","","","1.54187","CuKα","","0.2485","0.1471","","","0.3076","0.3461","","","","","","1.371","","","","has coordinates,has disorder","196254","2020-10-21","18:00:00",""
"7155610","10.8892","0.0005","14.598","0.0006","17.6382","0.0008","90","","91.421","0.006","90","","2802.9","0.2","123","","123","","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","anti-5,17-di-tert-butyl-8,20-dimethoxy-1,2-dimethyl[2.6]metacyclophan-1-ene","","- C32 H46 O2 -","- C32 H46 O2 -","- C128 H184 O8 -","4","1","","Akther, Thamina; Islam, Md Monarul; Rahman, Shofiur; Georghiou, Paris E.; Matsumoto, Taisuke; Tanaka, Junji; Redshaw, Carl; Yamato, Takehiko","Synthesis and conformations of [2.n]metacyclophan-1-ene epoxides and their conversion to [n.1]metacyclophanes.","Organic & biomolecular chemistry","2017","15","16","3519","3527","10.1039/c7ob00400a","","","1.54187","CuKα","","0.1669","0.1036","","","0.245","0.2843","","","","","","1.033","","","","has coordinates,has disorder","196254","2020-10-21","18:00:00",""
"7155611","9.78317","0.00018","17.0949","0.0003","18.4711","0.0004","90","","104.725","0.007","90","","2987.69","0.14","123","","123","","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","syn-5,19-di-tert-butyl-1,2-epoxy-1,2-dimethyl-8,22-dimethoxy[2.8]metacyclophane","","- C34 H50 O3 -","- C34 H50 O3 -","- C136 H200 O12 -","4","1","","Akther, Thamina; Islam, Md Monarul; Rahman, Shofiur; Georghiou, Paris E.; Matsumoto, Taisuke; Tanaka, Junji; Redshaw, Carl; Yamato, Takehiko","Synthesis and conformations of [2.n]metacyclophan-1-ene epoxides and their conversion to [n.1]metacyclophanes.","Organic & biomolecular chemistry","2017","15","16","3519","3527","10.1039/c7ob00400a","","","1.54187","CuKα","","0.0595","0.047","","","0.1049","0.116","","","","","","1.077","","","","has coordinates","196254","2020-10-21","18:00:00",""
"7155612","8.109","0.0002","9.145","0.0002","9.2939","0.0002","90","","96.4248","0.0006","90","","684.88","0.03","200","2","200","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C16 H20 N2 O -","- C16 H20 N2 O -","- C32 H40 N4 O2 -","2","1","","Sheth, Vishal M.; Hong, Bor-Cherng; Lee, Gene-Hsiang","Enantioselective total synthesis of (+)-arborescidine C and related tetracyclic indole alkaloids using organocatalysis.","Organic & biomolecular chemistry","2017","15","16","3408","3412","10.1039/c7ob00473g","","","1.54178","CuKα","","0.0258","0.0254","","","0.0657","0.0662","","","","","","1.045","","","","has coordinates","196255","2020-10-21","18:00:00",""
"7155613","5.8639","0.0001","8.5853","0.0002","29.2551","0.0006","90","","90","","90","","1472.8","0.05","200","2","200","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C17 H20 N2 O3 -","- C17 H20 N2 O3 -","- C68 H80 N8 O12 -","4","1","","Sheth, Vishal M.; Hong, Bor-Cherng; Lee, Gene-Hsiang","Enantioselective total synthesis of (+)-arborescidine C and related tetracyclic indole alkaloids using organocatalysis.","Organic & biomolecular chemistry","2017","15","16","3408","3412","10.1039/c7ob00473g","","","1.54178","CuKα","","0.0361","0.0354","","","0.0902","0.0909","","","","","","1.253","","","","has coordinates,has disorder","196255","2020-10-21","18:00:00",""
"7155614","15.1844","0.0005","20.725","0.0006","6.8775","0.0002","90","","100.961","0.001","90","","2124.84","0.11","100","2","100","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C13.5 H11 B0.5 F N O0.5 -","- C13.5 H11 B0.5 F N O0.5 -","- C108 H88 B4 F8 N8 O4 -","8","1","","Miao, Fang; Lim, Zheng Long; Hu, Pan; Dong, Shaoqiang; Qi, Qingbiao; Zhang, Xiaojie; Wu, Jishan","BODIPY blocked anthroxyl radicals: the substituent effect on reactivity and fluorescence turn-on detection of a hydroxyl radical.","Organic & biomolecular chemistry","2017","15","15","3188","3191","10.1039/c7ob00586e","","","1.54178","CuKα","","0.0501","0.045","","","0.1214","0.1271","","","","","","1.029","","","","has coordinates","196256","2020-10-21","18:00:00",""
"7155615","8.3338","0.0009","12.5679","0.0014","14.0639","0.0016","87.509","0.005","81.274","0.005","75.494","0.005","1409.5","0.3","100","2","100","2","","","","","","","","7","P -1","-P 1","2","","","","- C31.25 H29.5 B Cl0.5 F2 N2 O4 -","- C31.25 H29.5 B Cl0.5 F2 N2 O4 -","- C62.5 H59 B2 Cl F4 N4 O8 -","2","1","","Miao, Fang; Lim, Zheng Long; Hu, Pan; Dong, Shaoqiang; Qi, Qingbiao; Zhang, Xiaojie; Wu, Jishan","BODIPY blocked anthroxyl radicals: the substituent effect on reactivity and fluorescence turn-on detection of a hydroxyl radical.","Organic & biomolecular chemistry","2017","15","15","3188","3191","10.1039/c7ob00586e","","","1.54178","CuKα","","0.0945","0.0822","","","0.2314","0.2449","","","","","","1.081","","","","has coordinates,has disorder","196256","2020-10-21","18:00:00",""
"7155616","9.968","0.002","10.431","0.003","10.921","0.003","62.684","0.004","78.845","0.004","62.833","0.003","897.4","0.4","296","2","296","2","","","","","","","","3","P -1","-P 1","2","","","","- C23 H24 O -","- C23 H24 O -","- C46 H48 O2 -","2","1","","Diao, Yunxia; Zuo, Zhijun; Wang, Hui; Liu, Jingjing; Luan, Xinjun","Palladium(0)-catalyzed [2+2+1] cyclization of 1,6-enynes with vinyl bromides: a highly diastereoselective synthesis of terahydro-1H-cyclopenta[c]furans bearing two quaternary carbon centers","Org. Biomol. Chem.","2017","","","","","10.1039/C7OB00768J","","","0.71073","MoKα","","0.0717","0.0493","","","0.1248","0.1413","","","","","","1.047","","","","has coordinates","196552","2020-10-21","18:00:00",""
"7155617","9.6023","0.0003","11.8204","0.0004","12.0014","0.0006","118.262","0.004","99.616","0.003","94.267","0.003","1164.33","0.09","293","2","293","2","","","","","","","","4","P -1","-P 1","2","","","","- C28 H25 I N2 -","- C28 H25 I N2 -","- C56 H50 I2 N4 -","2","1","","Verma, Akhilesh K.; Kumar, Sonu; Mujahid, Mohammad","Regioselective 6-endo-dig Iodocyclization: An accessible approach for Iodo-benzo[a]phenazines","Org. Biomol. Chem.","2017","","","","","10.1039/C7OB00671C","","","0.71073","MoKα","","0.0391","0.0314","","","0.0697","0.0728","","","","","","1.032","","","","has coordinates","196553","2020-10-21","18:00:00",""
"7155618","34.5876","0.0004","9.19962","0.0001","4.92247","0.00005","90","","90","","90","","1566.29","0.03","123","2","123","","","","","","","","","5","P n m a","-P 2ac 2n","62","","","","- C18 H17 Br F2 O -","- C18 H17 Br F2 O -","- C72 H68 Br4 F8 O4 -","4","0.5","","Konik, Yulia A.; Kudrjashova, Marina; Konrad, Nele; Kaabel, Sandra; Järving, Ivar; Lopp, Margus; Kananovich, Dzmitry","Two-step Conversion of Carboxylic Esters into Distally Fluorinated Ketones via Ring Cleavage of Cyclopropanol Intermediates: Application of Sulfinate Salts as Fluoroalkylating Reagents","Org. Biomol. Chem.","2017","","","","","10.1039/C7OB00680B","","x-ray","1.54184","CuKα","","0.0236","0.0235","","","0.0626","0.0627","","","","","","1.127","","","","has coordinates,has disorder","196572","2020-10-21","18:00:00",""
"7155619","8.0697","0.0003","32.4621","0.0012","9.8721","0.0004","90","","90.549","0.0017","90","","2585.97","0.17","296","2","296","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C32 H30 N2 O2 S -","- C32 H30 N2 O2 S -","- C128 H120 N8 O8 S4 -","4","1","","Chauhan, Dinesh Pratapsinh; Varma, Sreejith Jayasree J.; Gudem, Mahesh; Panigrahi, Nihar; Singh, Khushboo; Hazra, Anirban; Talukdar, Pinaki","Intramolecular cascade rearrangements of enynamine derived ketenimines: Access to acyclic and cyclic amidines","Org. Biomol. Chem.","2017","","","","","10.1039/C7OB00499K","","","1.54178","CuKα","","0.0503","0.0434","","","0.1306","0.1365","","","","","","1.101","","","","has coordinates","196612","2020-10-21","18:00:00",""
"7155620","12.375","0.004","17.958","0.007","14.179","0.006","90","","91.594","0.01","90","","3150","2","296","2","296","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C38 H34 N2 O2 S -","- C38 H34 N2 O2 S -","- C152 H136 N8 O8 S4 -","4","1","","Chauhan, Dinesh Pratapsinh; Varma, Sreejith Jayasree J.; Gudem, Mahesh; Panigrahi, Nihar; Singh, Khushboo; Hazra, Anirban; Talukdar, Pinaki","Intramolecular cascade rearrangements of enynamine derived ketenimines: Access to acyclic and cyclic amidines","Org. Biomol. Chem.","2017","","","","","10.1039/C7OB00499K","","","0.71073","MoKα","","0.2279","0.0805","","","0.1721","0.2471","","","","","","0.912","","","","has coordinates","206489","2020-10-21","18:00:00",""
"7155621","8.7353","0.0011","10.2521","0.0013","15.765","0.002","101.925","0.006","98.258","0.006","93.27","0.005","1361.6","0.3","296","2","296","2","","","","","","","","5","P -1","-P 1","2","","","","- C33 H29 N3 O2 S -","- C33 H29 N3 O2 S -","- C66 H58 N6 O4 S2 -","2","1","","Chauhan, Dinesh Pratapsinh; Varma, Sreejith Jayasree J.; Gudem, Mahesh; Panigrahi, Nihar; Singh, Khushboo; Hazra, Anirban; Talukdar, Pinaki","Intramolecular cascade rearrangements of enynamine derived ketenimines: Access to acyclic and cyclic amidines","Org. Biomol. Chem.","2017","","","","","10.1039/C7OB00499K","","","1.54178","CuKα","","0.1123","0.0948","","","0.2521","0.2636","","","","","","1.782","","","","has coordinates","196612","2020-10-21","18:00:00",""
"7155622","27.148","0.006","6.2305","0.0014","27.401","0.006","90","","92.154","0.005","90","","4631.5","1.8","296","2","296","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C26 H26 N2 O2 S -","- C26 H26 N2 O2 S -","- C208 H208 N16 O16 S8 -","8","1","","Chauhan, Dinesh Pratapsinh; Varma, Sreejith Jayasree J.; Gudem, Mahesh; Panigrahi, Nihar; Singh, Khushboo; Hazra, Anirban; Talukdar, Pinaki","Intramolecular cascade rearrangements of enynamine derived ketenimines: Access to acyclic and cyclic amidines","Org. Biomol. Chem.","2017","","","","","10.1039/C7OB00499K","","","0.71073","MoKα","","0.1176","0.0514","","","0.1315","0.1764","","","","","","0.941","","","","has coordinates","196612","2020-10-21","18:00:00",""
"7155623","9.0423","0.0004","10.9846","0.0005","11.4374","0.0005","91.995","0.002","100.164","0.002","103.818","0.002","1082.32","0.08","0","2","0","2","","","","","","","","5","P -1","-P 1","2","","","","- C25 H28 N2 O2 S -","- C25 H28 N2 O2 S -","- C50 H56 N4 O4 S2 -","2","1","","Chauhan, Dinesh Pratapsinh; Varma, Sreejith Jayasree J.; Gudem, Mahesh; Panigrahi, Nihar; Singh, Khushboo; Hazra, Anirban; Talukdar, Pinaki","Intramolecular cascade rearrangements of enynamine derived ketenimines: Access to acyclic and cyclic amidines","Org. Biomol. Chem.","2017","","","","","10.1039/C7OB00499K","","","1.54178","CuKα","","0.0619","0.057","","","0.1948","0.2017","","","","","","1.689","","","","has coordinates","206489","2020-10-21","18:00:00",""
"7155624","11.7831","0.0005","9.6543","0.0004","17.6007","0.0007","90","","96.297","0.002","90","","1990.13","0.14","296","2","296","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C24 H23 N O2 S -","- C24 H23 N O2 S -","- C96 H92 N4 O8 S4 -","4","1","","Theunissen, Cédric; Métayer, Benoît; Lecomte, Morgan; Henry, Nicolas; Chan, Hwai-Chien; Compain, Guillaume; Gérard, Phidéline; Bachmann, Christian; Mokhtari, Naima; Marrot, Jérome; Martin-Mingot, Agnès; Thibaudeau, Sébastien; Evano, Gwilherm","Cationic polycyclization of ynamides: building up molecular complexity","Org. Biomol. Chem.","2017","","","","","10.1039/C7OB00850C","","","0.71073","MoKα","","0.0526","0.0416","","","0.1183","0.1294","","","","","","1.053","","","","has coordinates","196613","2020-10-21","18:00:00",""
"7155625","5.3653","0.0012","15.987","0.003","8.8569","0.0018","90","","99.018","0.009","90","","750.3","0.3","298","2","298","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C19 H17 N O2 -","- C19 H17 N O2 -","- C38 H34 N2 O4 -","2","1","","Theunissen, Cédric; Métayer, Benoît; Lecomte, Morgan; Henry, Nicolas; Chan, Hwai-Chien; Compain, Guillaume; Gérard, Phidéline; Bachmann, Christian; Mokhtari, Naima; Marrot, Jérome; Martin-Mingot, Agnès; Thibaudeau, Sébastien; Evano, Gwilherm","Cationic polycyclization of ynamides: building up molecular complexity","Org. Biomol. Chem.","2017","","","","","10.1039/C7OB00850C","","","0.71073","MoKα","","0.1039","0.0943","","","0.2378","0.2459","","","","","","1.199","","","","has coordinates","196613","2020-10-21","18:00:00",""
"7155626","11.0053","0.0015","10.9876","0.0014","16.699","0.002","90","","107.056","0.006","90","","1930.5","0.4","150","2","150","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C24 H23 N O2 S -","- C24 H23 N O2 S -","- C96 H92 N4 O8 S4 -","4","1","","Theunissen, Cédric; Métayer, Benoît; Lecomte, Morgan; Henry, Nicolas; Chan, Hwai-Chien; Compain, Guillaume; Gérard, Phidéline; Bachmann, Christian; Mokhtari, Naima; Marrot, Jérome; Martin-Mingot, Agnès; Thibaudeau, Sébastien; Evano, Gwilherm","Cationic polycyclization of ynamides: building up molecular complexity","Org. Biomol. Chem.","2017","","","","","10.1039/C7OB00850C","","","0.71073","MoKα","","0.0409","0.0344","","","0.0933","0.0984","","","","","","1.06","","","","has coordinates","196613","2020-10-21","18:00:00",""
"7155627","9.6403","0.0005","16.1153","0.0008","16.1214","0.0008","90","","90","","90","","2504.6","0.2","296","2","296","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C31 H34 O2 -","- C31 H34 O2 -","- C124 H136 O8 -","4","1","","Zhou, Tao; Li, Shenhuan; Huang, Ben; Li, Cao; Zhao, Yang; Chen, Jieqiong; Chen, Aoling; Xiao, Yuanjin; Liu, Lu; Zhang, Junliang","Phosphine-catalyzed Friedel‒Crafts reaction of naphthols with para-quinone methides: expedient access to triarylmethanes","Org. Biomol. Chem.","2017","","","","","10.1039/C7OB00911A","","","0.71073","MoKα","","0.0606","0.039","","","0.0844","0.0959","","","","","","1.039","","","","has coordinates","196684","2020-10-21","18:00:00",""
"7155628","7.7171","0.0004","10.6392","0.0006","11.009","0.0004","110.7","0.005","100.085","0.004","101.913","0.005","796.35","0.08","100","","100","","","","","","","","","4","P -1","-P 1","2","","","","- C19 H15 N3 O4 -","- C19 H15 N3 O4 -","- C38 H30 N6 O8 -","2","1","","Zou, Yong; Sheng, Jianfei; Liu, Zhihong; Yan, Ming; Zhang, Xue-jing; Wang, Dejian; Xu, Jun; Zhang, Ensheng","Biomass-involved synthesis of N-substituted benzofuro[2,3-d]pyrimidine-4-amines and biological evaluation as novel EGFR tyrosine kinase inhibitors","Org. Biomol. Chem.","2017","","","","","10.1039/C7OB00793K","","x-ray","1.54184","CuKα","","0.0412","0.0385","","","0.1025","0.1054","","","","","","1.0489","","","","has coordinates","196745","2020-10-21","18:00:00",""
"7155629","19.9896","0.0004","7.31234","0.0001","20.2663","0.0004","90","","106.139","0.0019","90","","2845.59","0.09","150","2","150","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C18 H14 O4 -","- C18 H14 O4 -","- C144 H112 O32 -","8","2","","Del Grosso, Alessandro; Galanopoulos, Lavrentis-Dimitrios; Chiu, Cookson K. C.; Clarkson, Guy J.; O′ Connor, Peter B.; Wills, Martin","Strained alkynes derived from 2,2′-dihydroxy-1,1′-biaryls; synthesis and copper-free cycloaddition with azides","Org. Biomol. Chem.","2017","","","","","10.1039/C7OB00991G","","x-ray","1.54184","CuKα","","0.0697","0.067","","","0.1826","0.1841","","","","","","1.125","","","","has coordinates","196746","2020-10-21","18:00:00",""
"7155630","15.81826","0.00015","9.23296","0.0001","8.32936","0.00009","90","","90","","90","","1216.5","0.02","150","2","150","2","","","","","","","","3","P b c n","-P 2n 2ab","60","","","","- C16 H16 O2 -","- C16 H16 O2 -","- C64 H64 O8 -","4","0.5","","Del Grosso, Alessandro; Galanopoulos, Lavrentis-Dimitrios; Chiu, Cookson K. C.; Clarkson, Guy J.; O′ Connor, Peter B.; Wills, Martin","Strained alkynes derived from 2,2′-dihydroxy-1,1′-biaryls; synthesis and copper-free cycloaddition with azides","Org. Biomol. Chem.","2017","","","","","10.1039/C7OB00991G","","x-ray","1.54184","CuKα","","0.038","0.037","","","0.1057","0.1068","","","","","","1.109","","","","has coordinates","196746","2020-10-21","18:00:00",""
"7155631","23.6448","0.0005","7.0895","0.0001","18.3229","0.0004","90","","119.266","0.002","90","","2679.42","0.1","150","2","150","2","","","","","","","","3","C 1 2/c 1","-C 2yc","15","","","","- C17 H12 O4 -","- C17 H12 O4 -","- C136 H96 O32 -","8","1","","Del Grosso, Alessandro; Galanopoulos, Lavrentis-Dimitrios; Chiu, Cookson K. C.; Clarkson, Guy J.; O′ Connor, Peter B.; Wills, Martin","Strained alkynes derived from 2,2′-dihydroxy-1,1′-biaryls; synthesis and copper-free cycloaddition with azides","Org. Biomol. Chem.","2017","","","","","10.1039/C7OB00991G","","x-ray","1.54178","CuKα","","0.0419","0.0378","","","0.1028","0.1072","","","","","","1.054","","","","has coordinates","196746","2020-10-21","18:00:00",""
"7155632","14.16761","0.00006","7.46338","0.00004","28.10737","0.00012","90","","103.616","0.0004","90","","2888.5","0.02","150","2","150","2","","","","","","","","4","I 1 2/a 1","-I 2ya","15","","","","- C16 H10 Br2 O2 -","- C16 H10 Br2 O2 -","- C128 H80 Br16 O16 -","8","1","","Del Grosso, Alessandro; Galanopoulos, Lavrentis-Dimitrios; Chiu, Cookson K. C.; Clarkson, Guy J.; O′ Connor, Peter B.; Wills, Martin","Strained alkynes derived from 2,2′-dihydroxy-1,1′-biaryls; synthesis and copper-free cycloaddition with azides","Org. Biomol. Chem.","2017","","","","","10.1039/C7OB00991G","","x-ray","1.54184","CuKα","","0.0306","0.0304","","","0.0799","0.0801","","","","","","1.083","","","","has coordinates","196746","2020-10-21","18:00:00",""
"7155633","9.5443","0.0001","19.2006","0.0002","20.0739","0.0002","90","","90","","90","","3678.67","0.07","150","2","150","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C23 H19 N3 O2 -","- C23 H19 N3 O2 -","- C184 H152 N24 O16 -","8","2","","Del Grosso, Alessandro; Galanopoulos, Lavrentis-Dimitrios; Chiu, Cookson K. C.; Clarkson, Guy J.; O′ Connor, Peter B.; Wills, Martin","Strained alkynes derived from 2,2′-dihydroxy-1,1′-biaryls; synthesis and copper-free cycloaddition with azides","Org. Biomol. Chem.","2017","","","","","10.1039/C7OB00991G","","x-ray","1.54184","CuKα","","0.0407","0.0369","","","0.091","0.0938","","","","","","1.012","","","","has coordinates","196746","2020-10-21","18:00:00",""
"7155634","7.84858","0.00005","15.11182","0.00007","13.51546","0.00009","90","","101.048","0.0006","90","","1573.31","0.017","175","2","175","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C16 H8 Br4 O2 -","- C16 H8 Br4 O2 -","- C64 H32 Br16 O8 -","4","1","","Del Grosso, Alessandro; Galanopoulos, Lavrentis-Dimitrios; Chiu, Cookson K. C.; Clarkson, Guy J.; O′ Connor, Peter B.; Wills, Martin","Strained alkynes derived from 2,2′-dihydroxy-1,1′-biaryls; synthesis and copper-free cycloaddition with azides","Org. Biomol. Chem.","2017","","","","","10.1039/C7OB00991G","","x-ray","1.54184","CuKα","","0.0257","0.0251","","","0.0636","0.064","","","","","","1.173","","","","has coordinates","196746","2020-10-21","18:00:00",""
"7155635","13.54378","0.00008","13.54378","0.00008","48.366","0.0003","90","","90","","120","","7683.35","0.08","150","2","150","2","","","","","","","","3","P 61","P 61","169","","","","- C24 H16 O2 -","- C24 H16 O2 -","- C432 H288 O36 -","18","3","","Del Grosso, Alessandro; Galanopoulos, Lavrentis-Dimitrios; Chiu, Cookson K. C.; Clarkson, Guy J.; O′ Connor, Peter B.; Wills, Martin","Strained alkynes derived from 2,2′-dihydroxy-1,1′-biaryls; synthesis and copper-free cycloaddition with azides","Org. Biomol. Chem.","2017","","","","","10.1039/C7OB00991G","","x-ray","1.54178","CuKα","","0.0318","0.0315","","","0.0829","0.083","","","","","","1.041","","","","has coordinates","196746","2020-10-21","18:00:00",""
"7155636","13.2049","0.0004","20.8347","0.0006","22.084","0.0006","102.297","0.001","100.464","0.001","91.103","0.002","5827","0.3","298","2","298","2","","","","","","","","4","P -1","-P 1","2","","","","- C68 H78 N O13.5 -","- C68 H78 N O13.5 -","- C272 H312 N4 O54 -","4","2","","Ke, Wen; Wu, Xin-Lang; chen, yi; Hu, Wen-Jing; Liu, Yahu; Jia, Xueshun; Li, Jiu-Sheng; Jiang, Biao","Bis- and mono(m-benzoic acid)-functionalized pillar[5]arenes","Org. Biomol. Chem.","2017","","","","","10.1039/C7OB00984D","","","0.82673","Synchrotron","","0.0746","0.0703","","","0.1948","0.2002","","","","","","1.045","","","","has coordinates","202518","2020-10-21","18:00:00",""
"7155637","18.8983","0.0013","5.7625","0.0004","13.2709","0.0012","90","","116.426","0.008","90","","1294.21","0.19","296","2","296","2","","","","","","","","4","C 1 2 1","C 2y","5","","","","- C15 H9 I O2 -","- C15 H9 I O2 -","- C60 H36 I4 O8 -","4","1","","Mancuso, Raffaella; Pomelli, Christian Silvio; Malafronte, Francesco; Maner, Asif; Marino, Nadia; Chiappe, Cinzia; Gabriele, Bartolo","Divergent syntheses of iodinated isobenzofuranones and isochromenones by iodolactonization of 2-alkynylbenzoic acids in ionic liquids","Org. Biomol. Chem.","2017","","","","","10.1039/C7OB00962C","","","0.71073","MoKα","","0.0724","0.0629","","","0.1764","0.1954","","","","","","1.129","","","","has coordinates","196748","2020-10-21","18:00:00",""
"7155638","13.9685","0.0019","7.1901","0.0009","12.5256","0.0016","90","","90","","90","","1258","0.3","296","2","296","2","","","","","","","","4","P n m a","-P 2ac 2n","62","","","","- C13 H13 I O2 -","- C13 H13 I O2 -","- C52 H52 I4 O8 -","4","0.5","","Mancuso, Raffaella; Pomelli, Christian Silvio; Malafronte, Francesco; Maner, Asif; Marino, Nadia; Chiappe, Cinzia; Gabriele, Bartolo","Divergent syntheses of iodinated isobenzofuranones and isochromenones by iodolactonization of 2-alkynylbenzoic acids in ionic liquids","Org. Biomol. Chem.","2017","","","","","10.1039/C7OB00962C","","","0.71073","MoKα","","0.0353","0.0317","","","0.0856","0.1048","","","","","","1.339","","","","has coordinates","196748","2020-10-21","18:00:00",""
"7155639","31.9591","0.0004","33.2764","0.0004","10.3208","0.0001","90","","90","","90","","10976","0.2","130","","130","","","","","","","","","4","F d d 2","F 2 -2d","43","","","","- C32 H31 N3 O5 -","- C32 H31 N3 O5 -","- C512 H496 N48 O80 -","16","1","","Li, Can; Lu, Han; Sun, Xiao-Xue; Mei, Guang-Jian; Shi, Feng","Diastereo- and Enantioselective Construction of Spirooxindole Scaffolds through a Catalytic Asymmetric [3+3] Cycloaddition","Org. Biomol. Chem.","2017","","","","","10.1039/C7OB01059A","","","1.54178","CuKα","","0.0436","0.0418","","","0.113","0.1149","","","","","","1.038","","","","has coordinates","196749","2020-10-21","18:00:00",""
"7155640","11.0983","0.0007","16.4648","0.001","16.7317","0.0008","63.011","0.005","72.188","0.007","78.909","0.007","2588.7","0.3","123","","123","","","","","","","","","2","P -1","-P 1","2","","","","- C76.5 H64 -","- C76.5 H64 -","- C153 H128 -","2","1","","Fujikawa, Takao; Mitoma, Nobuhiko; Wakamiya, Atsushi; Saeki, Akinori; Segawa, Yasutomo; Itami, Kenichiro","Synthesis, Properties, and Crystal Structures of π-Extended Double [6]Helicenes: Contorted Multi-Dimensional Stacking Lattice","Org. Biomol. Chem.","2017","","","","","10.1039/C7OB00987A","","","0.71075","MoKα","","0.1027","0.0713","","","0.1617","0.199","","","","","","1.187","","","","has coordinates,has disorder","196750","2020-10-21","18:00:00",""
"7155641","16.046","0.003","26.399","0.005","11.908","0.002","90","","110.469","0.003","90","","4725.7","1.5","123","","123","","","","","","","","","3","C 1 2/c 1","-C 2yc","15","","","","- C66 H52 S4 -","- C66 H52 S4 -","- C264 H208 S16 -","4","0.5","","Fujikawa, Takao; Mitoma, Nobuhiko; Wakamiya, Atsushi; Saeki, Akinori; Segawa, Yasutomo; Itami, Kenichiro","Synthesis, Properties, and Crystal Structures of π-Extended Double [6]Helicenes: Contorted Multi-Dimensional Stacking Lattice","Org. Biomol. Chem.","2017","","","","","10.1039/C7OB00987A","","","0.71075","MoKα","","0.0927","0.0753","","","0.1903","0.2061","","","","","","1.114","","","","has coordinates,has disorder","196750","2020-10-21","18:00:00",""
"7155642","7.1098","0.001","5.6455","0.0008","14.581","0.002","90","","90.522","0.007","90","","585.23","0.14","180","","180","","","","","","","","","4","P 1 21 1","P 2yb","4","","1-(1,1,2,2-tetrafluoroethyl)-4-p-tolyl-1H-1,2,3-triazole","","- C11 H9 F4 N3 -","- C11 H9 F4 N3 -","- C22 H18 F8 N6 -","2","1","","Voltrová, Svatava; Muselli, Mickaël; Filgas, Josef; Matoušek, Václav; Klepetářová, Blanka; Beier, Petr","Synthesis of tetrafluoroethylene- and tetrafluoroethyl-containing azides and their 1,3-dipolar cycloaddition as synthetic application","Org. Biomol. Chem.","2017","","","","","10.1039/C7OB01151B","","x-ray","1.54178","CuKα","","0.0887","0.082","","0.1027","0.0921","0.0921","","","","","","1.0405","","","","has coordinates","196786","2020-10-21","18:00:00",""
"7155643","18.6519","0.0009","5.6223","0.0003","27.0706","0.0013","90","","90","","90","","2838.8","0.2","180","","180","","","","","","","","","5","P n a 21","P 2c -2n","33","","1-(2-(4-bromo-1H-pyrazol-1-yl)-1,1,2,2-tetrafluoroethyl)-4-phenyl-1H-1,2,3-triazole","","- C13 H8 Br F4 N5 -","- C13 H8 Br F4 N5 -","- C104 H64 Br8 F32 N40 -","8","2","","Voltrová, Svatava; Muselli, Mickaël; Filgas, Josef; Matoušek, Václav; Klepetářová, Blanka; Beier, Petr","Synthesis of tetrafluoroethylene- and tetrafluoroethyl-containing azides and their 1,3-dipolar cycloaddition as synthetic application","Org. Biomol. Chem.","2017","","","","","10.1039/C7OB01151B","","x-ray","1.54178","CuKα","","0.04","0.0305","","0.0434","0.0303","0.0303","","","","","","1.0981","","","","has coordinates","196786","2020-10-21","18:00:00",""
"7155644","16.0915","0.0014","7.1728","0.0006","31.911","0.003","90","","104.303","0.003","90","","3569","0.5","180","","180","","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","5-iodo-4-phenyl-1-(1,1,2,2-tetrafluoro-2-(4-methoxyphenoxy)ethyl)-1H-1,2,3-triazole","","- C17 H12 F4 I N3 O2 -","- C17 H12 F4 I N3 O2 -","- C136 H96 F32 I8 N24 O16 -","8","1","","Voltrová, Svatava; Muselli, Mickaël; Filgas, Josef; Matoušek, Václav; Klepetářová, Blanka; Beier, Petr","Synthesis of tetrafluoroethylene- and tetrafluoroethyl-containing azides and their 1,3-dipolar cycloaddition as synthetic application","Org. Biomol. Chem.","2017","","","","","10.1039/C7OB01151B","","x-ray","1.54178","CuKα","","0.1225","0.0879","","0.1026","0.0831","0.0831","","","","","","1.1113","","","","has coordinates","196786","2020-10-21","18:00:00",""
"7155645","18.5871","0.0012","5.6567","0.0004","15.3181","0.0011","90","","95.884","0.006","90","","1602.08","0.19","180","","180","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","4-phenyl-1-(1,1,2,2-tetrafluoro-2-(4-methoxyphenoxy)ethyl)-1H-1,2,3-triazole","","- C17 H13 F4 N3 O2 -","- C17 H13 F4 N3 O2 -","- C68 H52 F16 N12 O8 -","4","1","","Voltrová, Svatava; Muselli, Mickaël; Filgas, Josef; Matoušek, Václav; Klepetářová, Blanka; Beier, Petr","Synthesis of tetrafluoroethylene- and tetrafluoroethyl-containing azides and their 1,3-dipolar cycloaddition as synthetic application","Org. Biomol. Chem.","2017","","","","","10.1039/C7OB01151B","","x-ray","1.5418","CuKα","","0.0636","0.0477","","0.0543","0.0476","0.0476","","","","","","1.1449","","","","has coordinates","196786","2020-10-21","18:00:00",""
"7155646","5.3006","0.0006","8.666","0.001","35.753","0.004","90","","90","","90","","1642.3","0.3","180","","180","","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","1-(1,1,2,2-tetrafluoro-2-(phenylthio)ethyl)-4-(p-tolyl)-1H-1,2,3-triazole","","- C17 H13 F4 N3 S -","- C17 H13 F4 N3 S -","- C68 H52 F16 N12 S4 -","4","1","","Voltrová, Svatava; Muselli, Mickaël; Filgas, Josef; Matoušek, Václav; Klepetářová, Blanka; Beier, Petr","Synthesis of tetrafluoroethylene- and tetrafluoroethyl-containing azides and their 1,3-dipolar cycloaddition as synthetic application","Org. Biomol. Chem.","2017","","","","","10.1039/C7OB01151B","","x-ray","1.54178","CuKα","","0.0773","0.0621","","0.0679","0.0587","0.0587","","","","","","0.9687","","","","has coordinates","196786","2020-10-21","18:00:00",""
"7155647","12.7355","0.0006","9.6324","0.0004","9.0837","0.0004","90","","102.202","0.001","90","","1089.15","0.08","130","","130","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","2-fluoro-2-(phenylsulfonyl)thietane 1,1-dioxide","","- C9 H9 F O4 S2 -","- C9 H9 F O4 S2 -","- C36 H36 F4 O16 S8 -","4","1","","Parisi, Giovanna; Degennaro, Leonardo; Carlucci, Claudia; de Candia, Modesto; Mastrorilli, Pietro; Roller, Alexander; Holzer, Wolfgang; Altomare, Cosimo Damiano; Pace, Vittorio; Luisi, Renzo","A Greener and Efficient Access to Substituted Four- and Six-membered Sulfur-bearing Heterocycles","Org. Biomol. Chem.","2017","","","","","10.1039/C7OB00846E","","x-ray","0.71073","MoKα","","0.0345","0.0318","","","0.0872","0.0887","","","","","","1.03","","","","has coordinates","196787","2020-10-21","18:00:00",""
"7155648","17.037","0.001","10.9283","0.001","8.8054","0.0006","90","","90","","90","","1639.4","0.2","100","","100","","","","","","","","","4","C m c 21","C 2c -2","36","","2,6-dibenzyltetrahydro-2H-thiopyran 1,1-dioxide","","- C19 H22 O2 S -","- C19 H22 O2 S -","- C76 H88 O8 S4 -","4","0.5","","Parisi, Giovanna; Degennaro, Leonardo; Carlucci, Claudia; de Candia, Modesto; Mastrorilli, Pietro; Roller, Alexander; Holzer, Wolfgang; Altomare, Cosimo Damiano; Pace, Vittorio; Luisi, Renzo","A Greener and Efficient Access to Substituted Four- and Six-membered Sulfur-bearing Heterocycles","Org. Biomol. Chem.","2017","","","","","10.1039/C7OB00846E","","x-ray","1.54178","CuKα","","0.0644","0.0636","","","0.1697","0.1719","","","","","","1.058","","","","has coordinates","196787","2020-10-21","18:00:00",""
"7155649","8.8749","0.0015","6.3714","0.0012","15.789","0.003","90","","95.698","0.006","90","","888.4","0.3","100","","100","","","","","","","","","5","P 1 21 1","P 2yb","4","","(1,1-dioxido-2,4-thietanediyl)bis{[4-(trifluoromethyl)phenyl]}","","- C19 H12 F6 O4 S -","- C19 H12 F6 O4 S -","- C38 H24 F12 O8 S2 -","2","1","","Parisi, Giovanna; Degennaro, Leonardo; Carlucci, Claudia; de Candia, Modesto; Mastrorilli, Pietro; Roller, Alexander; Holzer, Wolfgang; Altomare, Cosimo Damiano; Pace, Vittorio; Luisi, Renzo","A Greener and Efficient Access to Substituted Four- and Six-membered Sulfur-bearing Heterocycles","Org. Biomol. Chem.","2017","","","","","10.1039/C7OB00846E","","x-ray","0.71073","MoKα","","0.0548","0.0461","","","0.1158","0.1203","","","","","","1.038","","","","has coordinates","196787","2020-10-21","18:00:00",""
"7155650","6.9602","0.0006","31.951","0.003","8.3374","0.0007","90","","103.572","0.004","90","","1802.3","0.3","130","","130","","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","(1,1-dioxido-2,4-thietanediyl)bis{[4-(trifluoromethyl)phenyl]}","","- C19 H12 F6 O4 S -","- C19 H12 F6 O4 S -","- C76 H48 F24 O16 S4 -","4","1","","Parisi, Giovanna; Degennaro, Leonardo; Carlucci, Claudia; de Candia, Modesto; Mastrorilli, Pietro; Roller, Alexander; Holzer, Wolfgang; Altomare, Cosimo Damiano; Pace, Vittorio; Luisi, Renzo","A Greener and Efficient Access to Substituted Four- and Six-membered Sulfur-bearing Heterocycles","Org. Biomol. Chem.","2017","","","","","10.1039/C7OB00846E","","x-ray","0.71073","MoKα","","0.0534","0.0486","","","0.1253","0.1283","","","","","","1.097","","","","has coordinates","196787","2020-10-21","18:00:00",""
"7155651","9.6118","0.0005","9.9839","0.0005","26.2874","0.0014","90","","90","","90","","2522.6","0.2","293","0.1","293","0.1","","","","","","","","7","P 21 21 21","P 2ac 2ab","19","","","","- C24 H17 Cl F3 N3 O7 S -","- C24 H17 Cl F3 N3 O7 S -","- C96 H68 Cl4 F12 N12 O28 S4 -","4","1","","Zhu, Yuanyuan; Li, Boyu; Wang, Cui; Dong, Zhenghao; Zhong, Xiaoling; Wang, Kairong; Yan, Wenjin; Wang, Rui","Asymmetric Synthesis of CF3-Containing Tetrahydroquinoline via Thiourea-Catalyzed Cascade Reaction","Org. Biomol. Chem.","2017","","","","","10.1039/C7OB01013C","","","0.7107","MoKα","","0.0664","0.0486","","","0.0949","0.1086","","","","","","1.062","","","","has coordinates","196788","2020-10-21","18:00:00",""
"7155652","9.9489","0.0007","10.0773","0.0005","51.389","0.003","90","","90","","90","","5152.2","0.5","292.65","0.16","292.65","0.16","","","","","","","","7","P 21 21 21","P 2ac 2ab","19","","","","- C24 H17 Br F3 N3 O7 S -","- C24 H17 Br F3 N3 O7 S -","- C192 H136 Br8 F24 N24 O56 S8 -","8","2","","Zhu, Yuanyuan; Li, Boyu; Wang, Cui; Dong, Zhenghao; Zhong, Xiaoling; Wang, Kairong; Yan, Wenjin; Wang, Rui","Asymmetric Synthesis of CF3-Containing Tetrahydroquinoline via Thiourea-Catalyzed Cascade Reaction","Org. Biomol. Chem.","2017","","","","","10.1039/C7OB01013C","","","0.7107","MoKα","","0.1158","0.0683","","","0.1196","0.149","","","","","","1.053","","","","has coordinates","196788","2020-10-21","18:00:00",""
"7155653","8.9339","0.0009","11.2293","0.0011","13.7571","0.0008","78.616","0.006","88.105","0.007","69.424","0.009","1265.7","0.2","100","0.1","100","0.1","","","","","","","","4","P -1","-P 1","2","","","","- C14 H17 N O2 -","- C14 H17 N O2 -","- C56 H68 N4 O8 -","4","2","","Piens, Nicola; Van Hecke, Kristof; Vogt, Dieter; D'hooghe, Matthias","Cobalt carbonyl-catalyzed carbonylation of functionalized aziridines to versatile β-lactam building blocks","Org. Biomol. Chem.","2017","","","","","10.1039/C7OB00832E","","x-ray","1.54184","CuKα","","0.1253","0.0831","","","0.1618","0.188","","","","","","1.032","","","","has coordinates","204136","2020-10-21","18:00:00",""
"7155654","14.6008","0.0004","8.3244","0.0003","15.3345","0.0005","90","","99.473","0.003","90","","1838.38","0.1","100","0.1","100","0.1","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C21 H25 N O4 -","- C21 H25 N O4 -","- C84 H100 N4 O16 -","4","1","","Piens, Nicola; Van Hecke, Kristof; Vogt, Dieter; D'hooghe, Matthias","Cobalt carbonyl-catalyzed carbonylation of functionalized aziridines to versatile β-lactam building blocks","Org. Biomol. Chem.","2017","","","","","10.1039/C7OB00832E","","x-ray","1.54184","CuKα","","0.044","0.0393","","","0.1008","0.1053","","","","","","1.045","","","","has coordinates","196897","2020-10-21","18:00:00",""
"7155655","7.6298","0.0002","18.0069","0.0007","18.6575","0.0006","96.857","0.003","98.399","0.003","100.637","0.003","2463.87","0.15","100","0.1","100","0.1","","","","","","","","4","P -1","-P 1","2","","","","- C19 H19 N O4 -","- C19 H19 N O4 -","- C114 H114 N6 O24 -","6","3","","Piens, Nicola; Van Hecke, Kristof; Vogt, Dieter; D'hooghe, Matthias","Cobalt carbonyl-catalyzed carbonylation of functionalized aziridines to versatile β-lactam building blocks","Org. Biomol. Chem.","2017","","","","","10.1039/C7OB00832E","","x-ray","1.54184","CuKα","","0.0829","0.0538","","","0.1349","0.161","","","","","","1.025","","","","has coordinates","196897","2020-10-21","18:00:00",""
"7155656","12.777","0.0017","16.254","0.002","17.725","0.002","90","","90","","90","","3681.1","0.8","173","2","173","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C20 H20 N2 O5 -","- C20 H20 N2 O5 -","- C160 H160 N16 O40 -","8","1","","Liu, Jie-Jie; Cheng, Liang; Huang, Hong-Yan; Wei, Feng; Wang, Dong; Liu, Li","Unprecedented formation of 3-(tetrahydrofuran-2-yl)-4H-chromen-4-one in the reaction between 3,3a-dihydro-9H-furo[3,4-b]chromen-9-one with malononitrile","Org. Biomol. Chem.","2017","","","","","10.1039/C7OB00904F","","","0.71073","MoKα","","0.0675","0.0594","","","0.1268","0.1323","","","","","","1.138","","","","has coordinates","196996","2020-10-21","18:00:00",""
"7155657","13.668","0.003","14.731","0.003","13.261","0.003","90","","111.59","0.03","90","","2482.7","1.1","173","2","173","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C27 H23 Cl N2 O7 -","- C27 H23 Cl N2 O7 -","- C108 H92 Cl4 N8 O28 -","4","1","","Liu, Jie-Jie; Cheng, Liang; Huang, Hong-Yan; Wei, Feng; Wang, Dong; Liu, Li","Unprecedented formation of 3-(tetrahydrofuran-2-yl)-4H-chromen-4-one in the reaction between 3,3a-dihydro-9H-furo[3,4-b]chromen-9-one with malononitrile","Org. Biomol. Chem.","2017","","","","","10.1039/C7OB00904F","","","0.71073","MoKα","","0.0648","0.0569","","","0.1215","0.1264","","","","","","1.154","","","","has coordinates","196996","2020-10-21","18:00:00",""
"7155658","7.6133","0.0015","10.8331","0.0017","11.794","0.002","103.557","0.008","95.557","0.009","108.701","0.007","879.9","0.3","173.15","","173.15","","","","","","","","","3","P -1","-P 1","2","","","","- C21 H18 O7 -","- C21 H18 O7 -","- C42 H36 O14 -","2","1","","Liu, Jie-Jie; Cheng, Liang; Huang, Hong-Yan; Wei, Feng; Wang, Dong; Liu, Li","Unprecedented formation of 3-(tetrahydrofuran-2-yl)-4H-chromen-4-one in the reaction between 3,3a-dihydro-9H-furo[3,4-b]chromen-9-one with malononitrile","Org. Biomol. Chem.","2017","","","","","10.1039/C7OB00904F","","","0.710747","MoKα","","0.0569","0.0505","","","0.111","0.1149","","","","","","1.143","","","","has coordinates","196996","2020-10-21","18:00:00",""
"7155659","7.8755","0.0004","11.9538","0.0006","13.5136","0.0008","66.584","0.003","88.943","0.003","81.445","0.003","1153.28","0.11","296","2","296","2","","","","","","","","5","P -1","-P 1","2","","","","- C24 H29 Br N2 O4 -","- C24 H29 Br N2 O4 -","- C48 H58 Br2 N4 O8 -","2","1","","Cui, Hai-Lei; Peng, Li-Jie; Zhou, Hai-Lin; You, Xiao-Lin; Jiang, Xiao-Jie","Stereoselective Synthesis of Enamino Ketones Through Aza-Michael/Hydrolysis Cascade","Org. Biomol. Chem.","2017","","","","","10.1039/C7OB01032J","","","0.71073","MoKα","","0.067","0.0424","","","0.1255","0.1439","","","","","","1.007","","","","has coordinates","196997","2020-10-21","18:00:00",""
"7155660","8.5462","0.0017","9.7412","0.0019","12.085","0.002","90.29","0.03","104.04","0.03","94.61","0.03","972.6","0.3","173.15","","173.15","","","","","","","","","4","P -1","-P 1","2","","","","- C23 H20 N2 O4 -","- C23 H20 N2 O4 -","- C46 H40 N4 O8 -","2","1","","Guo, Hongchao; Gao, Xing; Li, Zhen; Yang, Wenjun; Liu, Yang; Chen, Wufeng; Zhang, Cheng; Zheng, Lufei","Phosphine-Catalyzed [3+2] and [4+2] Annulation Reactions of Ynones with Barbiturate-derived Alkenes","Org. Biomol. Chem.","2017","","","","","10.1039/C7OB01034F","","","0.71073","MoKα","","0.0734","0.0644","","","0.1352","0.1425","","","","","","1.152","","","","has coordinates","197065","2020-10-21","18:00:00",""
"7155661","8.989","0.004","5.73","0.003","36.156","0.016","90","","96.682","0.006","90","","1849.6","1.5","173","","173","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C23 H20 N2 O4 -","- C23 H20 N2 O4 -","- C92 H80 N8 O16 -","4","1","","Guo, Hongchao; Gao, Xing; Li, Zhen; Yang, Wenjun; Liu, Yang; Chen, Wufeng; Zhang, Cheng; Zheng, Lufei","Phosphine-Catalyzed [3+2] and [4+2] Annulation Reactions of Ynones with Barbiturate-derived Alkenes","Org. Biomol. Chem.","2017","","","","","10.1039/C7OB01034F","","","0.71073","MoKα","","0.0774","0.0714","","","0.1666","0.1711","","","","","","1.181","","","","has coordinates","197065","2020-10-21","18:00:00",""
"7155662","15.04","0.003","8.7022","0.0015","15.9","0.003","90","","115.384","0.002","90","","1880.1","0.6","173.15","","173.15","","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C23 H20 N2 O4 -","- C23 H20 N2 O4 -","- C92 H80 N8 O16 -","4","1","","Guo, Hongchao; Gao, Xing; Li, Zhen; Yang, Wenjun; Liu, Yang; Chen, Wufeng; Zhang, Cheng; Zheng, Lufei","Phosphine-Catalyzed [3+2] and [4+2] Annulation Reactions of Ynones with Barbiturate-derived Alkenes","Org. Biomol. Chem.","2017","","","","","10.1039/C7OB01034F","","","0.71073","MoKα","","0.0519","0.0488","","","0.111","0.1132","","","","","","1.127","","","","has coordinates","197065","2020-10-21","18:00:00",""
"7155663","7.9869","0.0009","9.5322","0.0012","16.242","0.002","79.589","0.004","83.633","0.004","86.893","0.004","1208","0.3","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C24 H26 N2 O7 S2 -","- C24 H26 N2 O7 S2 -","- C48 H52 N4 O14 S4 -","2","1","","Varshnaya, Rohit Kumar; Banerjee, Prabal","Construction of Thiazines and Oxathianes via [3+3] Annulation of N Tosylaziridinedicarboxylates and Oxiranes with 1,4-dithian-2,5-diol : Application Towards the Synthesis of Bioactive Molecules","Org. Biomol. Chem.","2017","","","","","10.1039/C7OB00941K","","","0.71073","MoKα","","0.046","0.0392","","","0.1072","0.112","","","","","","1.056","","","","has coordinates","197127","2020-10-21","18:00:00",""
"7155664","5.7679","0.0019","9.859","0.003","13.531","0.004","73.54","0.03","85.59","0.03","81.51","0.03","729.3","0.4","295.35","0.1","295.35","0.1","","","","","","","","5","P -1","-P 1","2","","(E)-2,2-difluoro-1-(piperidin-1-yl)-4-(p-tolyl)but-3-en-1-one","","- C16 H19 F2 N O -","- C16 H19 F2 N O -","- C32 H38 F4 N2 O2 -","2","1","","Wan, Wen; Li, jialiang; Ma, Bin Guo; Chen, Yunrong; Jiang, Haizhen; Deng, Hongmei; Hao, Jian","Ag(I)-catalyzed Oxidative Decarboxylation of Difluoroacetates with Activated Alkenes to Form Difluorooxindoles","Org. Biomol. Chem.","2017","","","","","10.1039/C7OB00955K","","x-ray","0.71073","MoKα","","0.1435","0.066","","","0.14","0.1998","","","","","","1.056","","","","has coordinates","197128","2020-10-21","18:00:00",""
"7155665","14.8634","0.0009","9.0465","0.0006","16.6597","0.0013","90","","90","","90","","2240.1","0.3","169.9","","169.9","","","","","","","","","4","P n a 21","P 2c -2n","33","","","","- C14 H12 N2 O -","- C14 H12 N2 O -","- C112 H96 N16 O8 -","8","2","","Wu, Zi-Jun; Huang, Kenneth L.; Huang, Zhi-Zhen","A cascade C‒H functionalization/cyclization reaction of N-arylpyridin-2-amines with α,β-unsaturated aldehydes for the synthesis of dihydroquinolinone derivatives under rhodium catalysis","Org. Biomol. Chem.","2017","","","","","10.1039/C7OB00743D","","","0.71073","MoKα","","0.0499","0.0391","","","0.0886","0.0969","","","","","","1.035","","","","has coordinates","197129","2020-10-21","18:00:00",""
"7155666","8.2625","0.0004","9.6405","0.0004","17.8895","0.0007","90","","90","","90","","1424.98","0.11","100","2","100","","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C11 H11 F9 O4 -","- C11 H11 F9 O4 -","- C44 H44 F36 O16 -","4","1","","Silvestri, Anthony Paul; Dawson, Philip Edward","Base-catalyzed Diastereoselective Trimerization of Trifluoroacetone","Org. Biomol. Chem.","2017","","","","","10.1039/C7OB01094J","","x-ray","0.71073","MoKα","","0.0352","0.031","","","0.0741","0.0774","","","","","","1.055","","","","has coordinates","197558","2020-10-21","18:00:00",""
"7155667","7.82","0.0013","9.4398","0.0016","16.743","0.003","90","","97.709","0.009","90","","1224.8","0.4","100","","100","","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C9 H9 F9 O3 -","- C9 H9 F9 O3 -","- C36 H36 F36 O12 -","4","1","","Silvestri, Anthony Paul; Dawson, Philip Edward","Base-catalyzed Diastereoselective Trimerization of Trifluoroacetone","Org. Biomol. Chem.","2017","","","","","10.1039/C7OB01094J","","x-ray","0.71073","MoKα","","0.0572","0.0399","","","0.1002","0.108","","","","","","1.016","","","","has coordinates","197558","2020-10-21","18:00:00",""
"7155668","6.3866","0.0001","10.6043","0.0002","19.7027","0.0003","90","","90","","90","","1334.37","0.04","150","","150","","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C13 H19 N O5 -","- C13 H19 N O5 -","- C52 H76 N4 O20 -","4","1","","Moloney, Mark G.; Josa-Cullere, Laia; Towers, Christopher; Willenbrock, Frances; Macauley, Valentine; Christensen, Kirsten","Synthesis and bioactivity of fused- and spiro‒lactone-lactam systems","Org. Biomol. Chem.","2017","","","","","10.1039/C7OB01148B","","","1.5418","CuKα","","0.028","0.0263","","0.0669","0.0655","0.0669","","","","","","1.0034","","","","has coordinates","197559","2020-10-21","18:00:00",""
"7155669","10.0438","0.0009","10.0438","0.0009","29.02","0.003","90","","90","","90","","2927.5","0.5","296","2","296","2","","","","","","","","6","P 43 21 2","P 4nw 2abw","96","","","","- C13 H14 F N O5 S -","- C13 H14 F N O5 S -","- C104 H112 F8 N8 O40 S8 -","8","1","","Yan, Shenghu; Cao, Shengyu; sun, jiangtao","Synthesis of Seven-Membered Heterocycles via Copper-Catalyzed Cross-Coupling of Terminal Alkynes with Diazo Compounds and Sequential Michael Addition","Org. Biomol. Chem.","2017","","","","","10.1039/C7OB01091E","","","0.71073","MoKα","","0.0747","0.0447","","","0.1068","0.1204","","","","","","1.032","","","","has coordinates","197640","2020-10-21","18:00:00",""
"7155670","10.558","0.002","16.971","0.004","8.182","0.003","90","","90","","90","","1466","0.7","293","2","293","2","","","","","","","","4","P n a 21","P 2c -2n","33","","","","- C15 H12 N2 O5 -","- C15 H12 N2 O5 -","- C60 H48 N8 O20 -","4","1","","Zhang, Huaiyuan; Su, Yingpeng; Wang, Ke-Hu; Huang, Danfeng; Li, Jun; Hu, Yulai","Synthesis of N-Acetoxy-N-arylamides via Diacetoxyiodobenzene Promoted Double Acylation Reaction of Hydroxylamines with Aldehydes","Org. Biomol. Chem.","2017","","","","","10.1039/C7OB00855D","","x-ray","1.54184","CuKα","","0.1024","0.0564","","","0.1397","0.1872","","","","","","0.976","","","","has coordinates","197641","2020-10-21","18:00:00",""
"7155671","16.036","0.003","7.932","0.002","22.399","0.003","90","","101.857","0.011","90","","2788.3","1","293","2","293","2","","","","","","","","4","I 1 2/a 1","-I 2ya","15","","rac-(3S,5aR,6S,9S,9aS,10R)-methyl 10-bromo-1-oxo-3,4,5,5a,6,9-hexahydro-1H-6,9-ethano-3,9a-methanobenzo[c]oxepine-7-carboxylate","","- C15 H17 Br O4 -","- C15 H17 Br O4 -","- C120 H136 Br8 O32 -","8","1","","BROSSARD, Dominique; Retailleau, Pascal; Dumontet, Vincent; Breton, Philippe; Desrat, Sandy; Roussi, Fanny","Fast & easy preparation of 3D scaffolds from methyl benzoate by a diversity oriented synthesis strategy based on Diels-Alder and ene-reactions","Org. Biomol. Chem.","2017","","","","","10.1039/C7OB01236E","","","0.71073","MoKα","","0.0493","0.0333","","","0.0797","0.0878","","","","","","1.027","","","","has coordinates","197679","2020-10-21","18:00:00",""
"7155672","18.318","0.001","7.395","0.001","12.871","0.001","90","","108.64","0.05","90","","1652.1","0.6","293","2","293","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C15 H21 Cs O6 -","- C15 H21 Cs O6 -","- C60 H84 Cs4 O24 -","4","1","","BROSSARD, Dominique; Retailleau, Pascal; Dumontet, Vincent; Breton, Philippe; Desrat, Sandy; Roussi, Fanny","Fast & easy preparation of 3D scaffolds from methyl benzoate by a diversity oriented synthesis strategy based on Diels-Alder and ene-reactions","Org. Biomol. Chem.","2017","","","","","10.1039/C7OB01236E","","","0.71073","MoKα","","0.0737","0.0624","","","0.1755","0.1835","","","","","","1.104","","","","has coordinates","197679","2020-10-21","18:00:00",""
"7155673","8.759","0.002","10.165","0.002","11.997","0.002","90","","97.231","0.014","90","","1059.7","0.4","293","2","293","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","rac-(6aR,10aS)-3,3a,4,5,6,6a,7,8-octahydro-3,6-methanobenzo[h] indole-2,11(1H)-dione","","- C13 H15 N O2 -","- C13 H15 N O2 -","- C52 H60 N4 O8 -","4","1","","BROSSARD, Dominique; Retailleau, Pascal; Dumontet, Vincent; Breton, Philippe; Desrat, Sandy; Roussi, Fanny","Fast & easy preparation of 3D scaffolds from methyl benzoate by a diversity oriented synthesis strategy based on Diels-Alder and ene-reactions","Org. Biomol. Chem.","2017","","","","","10.1039/C7OB01236E","","","0.71073","MoKα","","0.0878","0.0496","","","0.1084","0.1263","","","","","","1.043","","","","has coordinates","197679","2020-10-21","18:00:00",""
"7155674","8.4275","0.0009","17.516","0.0013","8.9932","0.0007","90","","99.603","0.007","90","","1308.9","0.2","193","2","193","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C15 H18 O5 -","- C15 H18 O5 -","- C60 H72 O20 -","4","1","","BROSSARD, Dominique; Retailleau, Pascal; Dumontet, Vincent; Breton, Philippe; Desrat, Sandy; Roussi, Fanny","Fast & easy preparation of 3D scaffolds from methyl benzoate by a diversity oriented synthesis strategy based on Diels-Alder and ene-reactions","Org. Biomol. Chem.","2017","","","","","10.1039/C7OB01236E","","","1.54187","CuKα","","0.0856","0.065","","","0.15","0.1856","","","","","","1.039","","","","has coordinates","197679","2020-10-21","18:00:00",""
"7155675","10.9176","0.001","12.7548","0.0009","13.084","0.001","70.366","0.007","85.295","0.007","69.235","0.007","1603.1","0.2","130","0.1","130","0.1","","","","","","","","6","P -1","-P 1","2","","","","- C31 H33 Br Cl2 O6 S3 -","- C30 H31 Br O6 S3 -","- C60 H62 Br2 O12 S6 -","2","1","","Rizzacasa, Mark A.; Fisher, Brendan; Lepage, Romain; White, Jonathan; Ye, Young; Krenske, Elizabeth","An Unprecedented Stereoselective Base-Induced Trimerization of an α-Bromovinylsulfone","Org. Biomol. Chem.","2017","","","","","10.1039/C7OB01121K","","x-ray","1.54184","CuKα","","0.0429","0.0383","","","0.103","0.1077","","","","","","1.024","","","","has coordinates","197731","2020-10-21","18:00:00",""
"7155676","9.1037","0.0004","18.2464","0.0008","9.7398","0.0005","90","","105.614","0.002","90","","1558.17","0.13","296","2","296","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C15 H15 F2 N3 O3 -","- C15 H15 F2 N3 O3 -","- C60 H60 F8 N12 O12 -","4","1","","Han, Wenyong; Zhao, Jia; Wang, Jian-Shu; Xiang, Guang-Yan; Zhang, Ding-Lei; Bai, Mei; Cui, Baodong; Wan, Nanwei; Chen, Yongzheng","Diastereoselective [3+2] cycloaddition of 3-ylideneoxindoles with in situ generated CF2HCHN2: Syntheses of CF2H-containing spirooxindoles","Org. Biomol. Chem.","2017","","","","","10.1039/C7OB01266G","","","0.71073","MoKα","","0.0879","0.0483","","","0.1174","0.1355","","","","","","1.021","","","","has coordinates,has disorder","197798","2020-10-21","18:00:00",""
"7155677","8.1522","0.0005","9.14","0.0006","12.4646","0.0008","89.726","0.005","76.757","0.005","63.771","0.007","806","0.11","100","0.1","100","0.1","","","","","","","","5","P -1","-P 1","2","","","","- C16 H17 F2 N3 O4 -","- C16 H17 F2 N3 O4 -","- C32 H34 F4 N6 O8 -","2","1","","Han, Wenyong; Zhao, Jia; Wang, Jian-Shu; Xiang, Guang-Yan; Zhang, Ding-Lei; Bai, Mei; Cui, Baodong; Wan, Nanwei; Chen, Yongzheng","Diastereoselective [3+2] cycloaddition of 3-ylideneoxindoles with in situ generated CF2HCHN2: Syntheses of CF2H-containing spirooxindoles","Org. Biomol. Chem.","2017","","","","","10.1039/C7OB01266G","","x-ray","0.71073","MoKα","","0.0566","0.0467","","","0.1074","0.1151","","","","","","1.052","","","","has coordinates","197798","2020-10-21","18:00:00",""
"7155678","10.7505","0.0005","12.0115","0.0005","14.5754","0.0007","90","","106.876","0.005","90","","1801.06","0.15","100","0.1","100","0.1","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C20 H17 F2 N3 O3 -","- C20 H17 F2 N3 O3 -","- C80 H68 F8 N12 O12 -","4","1","","Han, Wenyong; Zhao, Jia; Wang, Jian-Shu; Xiang, Guang-Yan; Zhang, Ding-Lei; Bai, Mei; Cui, Baodong; Wan, Nanwei; Chen, Yongzheng","Diastereoselective [3+2] cycloaddition of 3-ylideneoxindoles with in situ generated CF2HCHN2: Syntheses of CF2H-containing spirooxindoles","Org. Biomol. Chem.","2017","","","","","10.1039/C7OB01266G","","x-ray","0.71073","MoKα","","0.058","0.0461","","","0.1027","0.1117","","","","","","1.03","","","","has coordinates","197798","2020-10-21","18:00:00",""
"7155679","8.1398","0.0003","12.3213","0.0004","16.5028","0.0005","90","","102.686","0.002","90","","1614.71","0.09","296","2","296","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","3a","","- C18 H13 N O2 S2 -","- C18 H13 N O2 S2 -","- C72 H52 N4 O8 S8 -","4","1","","Mahato, Karuna; Ray Bagdi, Prasanta; Khan, Abu Taleb","K2CO3 catalyzed regioselective synthesis of thieno[2,3-b]thiochromen-4-one oximes: Access to the corresponding Amine and Nitroso derivatives","Org. Biomol. Chem.","2017","","","","","10.1039/C7OB01033H","","","0.71073","MoKα","","0.0721","0.0462","","","0.1","0.1115","","","","","","1.003","","","","has coordinates","197799","2020-10-21","18:00:00",""
"7155680","6.3128","0.0003","18.0467","0.0009","12.6157","0.0005","90","","96.132","0.004","90","","1429.02","0.11","296","2","296","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","5a","","- C17 H9 N O2 S2 -","- C17 H9 N O2 S2 -","- C68 H36 N4 O8 S8 -","4","1","","Mahato, Karuna; Ray Bagdi, Prasanta; Khan, Abu Taleb","K2CO3 catalyzed regioselective synthesis of thieno[2,3-b]thiochromen-4-one oximes: Access to the corresponding Amine and Nitroso derivatives","Org. Biomol. Chem.","2017","","","","","10.1039/C7OB01033H","","","0.71073","MoKα","","0.0782","0.0496","","","0.0869","0.102","","","","","","1.006","","","","has coordinates","197799","2020-10-21","18:00:00",""
"7155681","18.1202","0.0005","12.7017","0.0003","14.342","0.0004","90","","113.133","0.001","90","","3035.51","0.14","296","2","296","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","4f","","- C17 H10 Br N O S2 -","- C17 H10 Br N O S2 -","- C136 H80 Br8 N8 O8 S16 -","8","2","","Mahato, Karuna; Ray Bagdi, Prasanta; Khan, Abu Taleb","K2CO3 catalyzed regioselective synthesis of thieno[2,3-b]thiochromen-4-one oximes: Access to the corresponding Amine and Nitroso derivatives","Org. Biomol. Chem.","2017","","","","","10.1039/C7OB01033H","","","0.71073","MoKα","","0.0984","0.0464","","","0.1141","0.1386","","","","","","1.008","","","","has coordinates","197799","2020-10-21","18:00:00",""
"7155682","16.7723","0.0014","5.696","0.0004","19.6942","0.0015","90","","113.699","0.01","90","","1722.8","0.3","293","2","293","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C18 H18 O2 S2 -","- C18 H18 O2 S2 -","- C72 H72 O8 S8 -","4","1","","Liu, Zhuqing; Huang, Fei; Lou, Jiang; Wang, Quannan; Yu, Zhengkun","Copper-Promoted Direct C-H Alkoxylation of S,S-Functionalized Internal Olefins with Alcohols","Org. Biomol. Chem.","2017","","","","","10.1039/C7OB01234A","","","0.71073","MoKα","","0.0737","0.0428","","","0.0956","0.1144","","","","","","1.036","","","","has coordinates","197800","2020-10-21","18:00:00",""
"7155683","8.2708","0.0005","19.5714","0.0012","10.5066","0.0008","90","","103.832","0.002","90","","1651.4","0.19","296","2","296","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C20 H17 N5 O -","- C20 H17 N5 O -","- C80 H68 N20 O4 -","4","1","","cui, dongmei; Zhang, Chen; Li, JInjing; Song, Chan","Copper (II) catalyzed iodine-promoted oxidative cyclization of 2-amino-1,3,5-triazines and chalcones: synthesis of aroylimidazo[1,2-a][1,3,5]triazines","Org. Biomol. Chem.","2017","","","","","10.1039/C7OB01018D","","","0.71073","MoKα","","0.1242","0.0639","","","0.1244","0.1556","","","","","","1.001","","","","has coordinates","197841","2020-10-21","18:00:00",""
"7155684","10.27418","0.00011","12.53092","0.00012","10.87663","0.00016","90","","107.895","0.001","90","","1332.57","0.03","100","0.1","100","0.1","","","","","","","","3","P 1 21 1","P 2yb","4","","","","- C29 H42 O9 -","- C29 H42 O9 -","- C58 H84 O18 -","2","1","","Zhou, Shi-Wen; Zheng, Qingfei; Huang, Xiuyong; Wang, Yong; Luo, Sifan; Jiang, Ren-Wang; Wang, Lei; Ye, Wen-Cai; Tian, Hai-Yan","Isolation and identification of L/D-lactate-conjugated bufadienolides from toad eggs revealing lactate racemization in amphibians","Org. Biomol. Chem.","2017","","","","","10.1039/C7OB01055A","","","1.54184","CuKα","","0.0569","0.0559","","","0.1467","0.1483","","","","","","1.042","","","","has coordinates","197842","2020-10-21","18:00:00",""
"7155685","32.2353","0.0003","7.66968","0.00008","10.48751","0.00013","90","","99.2221","0.0011","90","","2559.36","0.05","100","0.1","100","0.1","","","","","","","","3","C 1 2 1","C 2y","5","","","","- C27 H38 O9 -","- C27 H38 O9 -","- C108 H152 O36 -","4","1","","Zhou, Shi-Wen; Zheng, Qingfei; Huang, Xiuyong; Wang, Yong; Luo, Sifan; Jiang, Ren-Wang; Wang, Lei; Ye, Wen-Cai; Tian, Hai-Yan","Isolation and identification of L/D-lactate-conjugated bufadienolides from toad eggs revealing lactate racemization in amphibians","Org. Biomol. Chem.","2017","","","","","10.1039/C7OB01055A","","","1.54178","CuKα","","0.0382","0.038","","","0.1093","0.1097","","","","","","1.052","","","","has coordinates","197842","2020-10-21","18:00:00",""
"7155686","6.26417","0.00006","18.04765","0.00014","10.53779","0.0001","90","","91.2643","0.0009","90","","1191.05","0.019","293","2","293","2","","","","","","","","3","P 1 21 1","P 2yb","4","","","","- C27 H36 O8 -","- C27 H36 O8 -","- C54 H72 O16 -","2","1","","Zhou, Shi-Wen; Zheng, Qingfei; Huang, Xiuyong; Wang, Yong; Luo, Sifan; Jiang, Ren-Wang; Wang, Lei; Ye, Wen-Cai; Tian, Hai-Yan","Isolation and identification of L/D-lactate-conjugated bufadienolides from toad eggs revealing lactate racemization in amphibians","Org. Biomol. Chem.","2017","","","","","10.1039/C7OB01055A","","","1.54184","CuKα","","0.026","0.0255","","","0.0647","0.0652","","","","","","1.028","","","","has coordinates","197842","2020-10-21","18:00:00",""
"7155687","9.499","0.0002","10.4196","0.0003","12.8765","0.0005","90","","96.497","0.003","90","","1266.28","0.07","173","2","173","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C27 H38 N0 O8 -","- C27 H38 O8 -","- C54 H76 O16 -","2","1","","Zhou, Shi-Wen; Zheng, Qingfei; Huang, Xiuyong; Wang, Yong; Luo, Sifan; Jiang, Ren-Wang; Wang, Lei; Ye, Wen-Cai; Tian, Hai-Yan","Isolation and identification of L/D-lactate-conjugated bufadienolides from toad eggs revealing lactate racemization in amphibians","Org. Biomol. Chem.","2017","","","","","10.1039/C7OB01055A","","","1.54184","CuKα","","0.0565","0.0452","","","0.1215","0.13","","","","","","1.006","","","","has coordinates","197842","2020-10-21","18:00:00",""
"7155688","8.624","0.003","9.752","0.004","26.737","0.01","90","","90","","90","","2248.6","1.5","293","2","293","2","","","","","","","organic synthesis","5","P 21 21 21","P 2ac 2ab","19","(2R,3S)-3-(3-chlorophenyl)-3'-methyl-1'-phenyl-3H,4H-spiro[furo[3,2-c]chromene-2,4'-pyrazole]-4,5'(1'H)-dione","(2R,3S)-3-(3-chlorophenyl)-3'-methyl-1'-phenyl-3H,4H-spiro[furo[3,2-c]chromene-2,4'-pyrazole]-4,5'(1'H)-dione","","- C26 H17 Cl N2 O4 -","- C26 H17 Cl N2 O4 -","- C104 H68 Cl4 N8 O16 -","4","1","","Xia, Ai-Bao; Zhang, Xiao-Long; Tang, Chengke; Feng, Kai-Xiang; Du, Xiao-Hua; Xu, Danqian","One-pot Asymmetric Synthesis of Spiro[dihydrofurocoumarin/ pyrazolone] Scaffolds by Michael Addition/I2-Mediated Cyclization Sequence","Org. Biomol. Chem.","2017","","","","","10.1039/C7OB00986K","","","0.71073","MoKα","","0.1508","0.1238","","","0.2984","0.3136","","","","","","1.138","","","","has coordinates","197878","2020-10-21","18:00:00",""
"7155689","8.743","0.002","9.675","0.003","15.147","0.004","90","","94.291","0.006","90","","1277.7","0.6","293","2","293","2","","","","","","","organic synthesis","6","P 1 21 1","P 2yb","4","Annulated hydroxycoumarin","(2R,3S)-3-(3-bromophenyl)-3'-methyl-1'-phenyl-3H,4H-spiro[furo[3,2-c]chromene-2,4'-pyrazole]-4,5'(1'H)-dione","","- C27 H19 Br Cl2 N2 O4 -","- C27 H19 Br Cl2 N2 O4 -","- C54 H38 Br2 Cl4 N4 O8 -","2","1","","Xia, Ai-Bao; Zhang, Xiao-Long; Tang, Chengke; Feng, Kai-Xiang; Du, Xiao-Hua; Xu, Danqian","One-pot Asymmetric Synthesis of Spiro[dihydrofurocoumarin/ pyrazolone] Scaffolds by Michael Addition/I2-Mediated Cyclization Sequence","Org. Biomol. Chem.","2017","","","","","10.1039/C7OB00986K","","","0.71073","MoKα","","0.1018","0.0599","","","0.1321","0.1521","","","","","","1.018","","","","has coordinates","197878","2020-10-21","18:00:00",""
"7155690","8.3497","0.0011","9.7735","0.0013","27.653","0.004","90","","90","","90","","2256.6","0.5","293","2","293","2","","","","","","","organic synthesis","4","P 21 21 21","P 2ac 2ab","19","(2R,3S)-3'-ethyl-1',3-diphenyl-3H,4H-spiro[furo[3,2-c]chromene-2,4'-pyrazole]-4,5'(1'H)-dione","(2R,3S)-3'-ethyl-1',3-diphenyl-3H,4H-spiro[furo[3,2-c]chromene-2,4'-pyrazole]-4,5'(1'H)-dione","","- C27 H20 N2 O4 -","- C27 H20 N2 O4 -","- C108 H80 N8 O16 -","4","1","","Xia, Ai-Bao; Zhang, Xiao-Long; Tang, Chengke; Feng, Kai-Xiang; Du, Xiao-Hua; Xu, Danqian","One-pot Asymmetric Synthesis of Spiro[dihydrofurocoumarin/ pyrazolone] Scaffolds by Michael Addition/I2-Mediated Cyclization Sequence","Org. Biomol. Chem.","2017","","","","","10.1039/C7OB00986K","","","0.71073","MoKα","","0.0616","0.0435","","","0.0934","0.1012","","","","","","1.02","","","","has coordinates","197878","2020-10-21","18:00:00",""
"7155691","11.6493","0.0004","7.9939","0.0003","19.75","0.001","90","","94.522","0.003","90","","1833.46","0.13","296","2","296","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C23 H18 N2 O2 -","- C23 H18 N2 O2 -","- C92 H72 N8 O8 -","4","1","","Wang, Changcheng; Jiang, Hangqi; Chen, Weifeng; Dong, Jun; Chen, Zhengwang; Cao, Hua","Silver-Catalyzed [3+2] Domino Reaction: An Efficient Strategy to Synthesize Imidazole-5-carbaldehydes","Org. Biomol. Chem.","2017","","","","","10.1039/C7OB01242J","","","0.71073","MoKα","","0.1358","0.0645","","","0.1727","0.2117","","","","","","1.041","","","","has coordinates","197879","2020-10-21","18:00:00",""
"7155692","9.9836","0.0008","11.1199","0.0009","12.6582","0.0011","90","","90","","90","","1405.3","0.2","298","1","298","1","","","","","","","Botrytis cinerea fungus","3","P 21 21 21","P 2ac 2ab","19","","presilphiperfolan-8,10,14-triol","","- C15 H26 O3 -","- C15 H26 O3 -","- C60 H104 O12 -","4","1","","Franco dos Santos, Gabriel; Moraga, Javier; Takahashi, Jacqueline A.; Viaud, Muriel; Hanson, James R.; Hern�ndez- Gal�n, Rosario; Collado, I. G.","The formation of sesquiterpenoid presilphiperfolane and cameroonane metabolites in the Bcbot4 null mutant of Botrytis cinerea","Org. Biomol. Chem.","2017","","","","","10.1039/C7OB01088E","","","0.71073","MoKα","","0.0578","0.0465","","","0.1074","0.115","","","","","","1.05","","","","has coordinates","197880","2020-10-21","18:00:00",""
"7155693","8.8617","0.0007","13.1073","0.0012","28.6","0.002","90","","90","","90","","3322","0.5","100","0.1","100","0.1","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","isopropyl (S,Z)-2-((tert-butylsulfinyl)imino)-2-(4-fluorophenyl)acetate","","- C15 H20 F N O3 S -","- C15 H20 F N O3 S -","- C120 H160 F8 N8 O24 S8 -","8","2","","Wei, qiaoling; Zhang, Feng; zhao, xiaofang; Wang, Chao; Xiao, Jianling; Tang, Weijun","Ru-catalyzed highly diastereoselective hydrogenation of N-tert-butylsulfinyl ketimines for the synthesis of aryl glycine derivatives","Org. Biomol. Chem.","2017","","","","","10.1039/C7OB01329A","","x-ray","0.71073","MoKα","","0.0685","0.0546","","","0.107","0.1165","","","","","","1.045","","","","has coordinates","197881","2020-10-21","18:00:00",""
"7155694","7.428","0.004","10.364","0.007","10.401","0.006","60.81","0.02","86.52","0.03","88.14","0.03","697.7","0.7","157.54","","157.54","","","","","","","","","4","P -1","-P 1","2","","","","- C26 H26 N10 O8 -","- C26 H26 N10 O8 -","- C26 H26 N10 O8 -","1","0.5","","Nizalapur, Shashidhar; Kimyon, Onder; Yee, Eugene; Bhadbhade, Mohan; Manefield, Mike; Willcox, Mark D.P.; Black, David StClair; Kumar, Naresh","Synthesis and Biological Evaluation of Novel Acyclic and Cyclic Glyoxamides as Bacterial Quorum Sensing and Biofilm Inhibitors","Org. Biomol. Chem.","2017","","","","","10.1039/C7OB01011G","","","0.71073","MoKα","","0.1642","0.0659","","","0.129","0.1668","","","","","","0.918","","","","has coordinates","197909","2020-10-21","18:00:00",""
"7155695","9.7434","0.0005","9.8225","0.0005","12.0241","0.0006","92.357","0.002","104.697","0.003","106.384","0.002","1060.01","0.1","153.54","","153.54","","","","","","","","","5","P -1","-P 1","2","","","","- C8.5 H11.5 N2.5 O2.5 S -","- C8.5 H11.5 N2.5 O2.5 S -","- C34 H46 N10 O10 S4 -","4","2","","Nizalapur, Shashidhar; Kimyon, Onder; Yee, Eugene; Bhadbhade, Mohan; Manefield, Mike; Willcox, Mark D.P.; Black, David StClair; Kumar, Naresh","Synthesis and Biological Evaluation of Novel Acyclic and Cyclic Glyoxamides as Bacterial Quorum Sensing and Biofilm Inhibitors","Org. Biomol. Chem.","2017","","","","","10.1039/C7OB01011G","","","0.71073","MoKα","","0.0556","0.0394","","","0.0933","0.1032","","","","","","1.041","","","","has coordinates,has disorder","197909","2020-10-21","18:00:00",""
"7155696","11.66","0.003","12.79","0.002","20.164","0.005","75.148","0.011","83.74","0.012","72.575","0.013","2771.5","1.1","296","2","296","2","","","","","","","","5","P -1","-P 1","2","","","","- C56 H46 N4 O8 S2 -","- C56 H46 N4 O8 S2 -","- C112 H92 N8 O16 S4 -","2","1","","Li, Cong-Xiang; Liu, Rui-Juan; Yin, Kun; Wen, Li-Rong; Li, Ming","Synthesis of disulfides tethered pyrroles from β-ketothioamides via bicyclization/ring-opening/oxidative coupling reaction","Org. Biomol. Chem.","2017","","","","","10.1039/C7OB00655A","","","0.71073","MoKα","","0.0873","0.071","","","0.181","0.1936","","","","","","1.081","","","","has coordinates,has disorder","197910","2020-10-21","18:00:00",""
"7155697","18.382","0.005","12.608","0.003","10.333","0.003","90","","97.036","0.003","90","","2376.7","1.1","173.15","","173.15","","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C28 H19 F N2 O4 S -","- C28 H19 F N2 O4 S -","- C112 H76 F4 N8 O16 S4 -","4","1","","Li, Cong-Xiang; Liu, Rui-Juan; Yin, Kun; Wen, Li-Rong; Li, Ming","Synthesis of disulfides tethered pyrroles from β-ketothioamides via bicyclization/ring-opening/oxidative coupling reaction","Org. Biomol. Chem.","2017","","","","","10.1039/C7OB00655A","","","0.71073","MoKα","","0.0555","0.0485","","","0.0899","0.0939","","","","","","1.168","","","","has coordinates","197910","2020-10-21","18:00:00",""
"7155698","24.0516","0.0014","8.6236","0.0005","20.5558","0.001","90","","106.207","0.003","90","","4094.1","0.4","296","2","296","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C23 H20 N2 O2.5 -","- C23 H22.5 N2 O2.5 -","- C184 H180 N16 O20 -","8","1","","Fan, Zhoulong; Lu, Heng; Li, Wei; Geng, Kaijun; Zhang, Ao","Rhodium-Catalyzed Redox-Neutral Coupling of Phenidones with Alkynes","Org. Biomol. Chem.","2017","","","","","10.1039/C7OB01271C","","","0.71073","MoKα","","0.1382","0.1177","","","0.3849","0.4122","","","","","","1.768","","","","has coordinates","197911","2020-10-21","18:00:00",""
"7155699","16.8419","0.0005","8.6097","0.0002","23.3066","0.0006","90","","98.94","0.001","90","","3338.49","0.15","120","2","120","2","","","","","","","synthesized by the authors","2","P 1 21/c 1","-P 2ybc","14","","","","- C46 H38 -","- C46 H38 -","- C184 H152 -","4","1","","Kaiser, Reinhard Peter; Mosinger, Jiri; Cisarova, Ivana; Kotora, Martin","Synthesis of Selectively 4-Substituted 9,9´-Spirobifluorenes and Modulation of Their Photophysical Properties.","Org. Biomol. Chem.","2017","","","","","10.1039/C7OB01319A","","","1.54178","CuKα","","0.0728","0.0574","","","0.1369","0.1458","","","","","","1.057","","","","has coordinates","197912","2020-10-21","18:00:00",""
"7155700","9.9228","0.0004","12.9083","0.0006","16.2089","0.0007","75.028","0.002","85.12","0.002","71.846","0.002","1905.8","0.15","150","2","150","2","","","","","","","synthesized by the authors","3","P -1","-P 1","2","","","","- C51 H39 Cl3 -","- C51 H39 Cl3 -","- C102 H78 Cl6 -","2","1","","Kaiser, Reinhard Peter; Mosinger, Jiri; Cisarova, Ivana; Kotora, Martin","Synthesis of Selectively 4-Substituted 9,9´-Spirobifluorenes and Modulation of Their Photophysical Properties.","Org. Biomol. Chem.","2017","","","","","10.1039/C7OB01319A","","","0.71073","MoKα","","0.0531","0.0424","","","0.1181","0.1239","","","","","","1.05","","","","has coordinates","197912","2020-10-21","18:00:00",""
"7155701","8.8276","0.0003","11.6527","0.0003","18.174","0.0005","91.534","0.001","90.277","0.001","107.972","0.001","1777.45","0.09","150","2","150","2","","","","","","","synthesized by the authors","3","P -1","-P 1","2","","","","- C49 H40 O -","- C49 H40 O -","- C98 H80 O2 -","2","1","","Kaiser, Reinhard Peter; Mosinger, Jiri; Cisarova, Ivana; Kotora, Martin","Synthesis of Selectively 4-Substituted 9,9´-Spirobifluorenes and Modulation of Their Photophysical Properties.","Org. Biomol. Chem.","2017","","","","","10.1039/C7OB01319A","","","1.54178","CuKα","","0.056","0.0431","","","0.1022","0.1095","","","","","","1.04","","","","has coordinates","197912","2020-10-21","18:00:00",""
"7155702","9.4308","0.0002","17.6455","0.0003","18.5101","0.0003","90","","92.764","0.001","90","","3076.7","0.1","150","2","150","2","","","","","","","synthesized by the authors","3","P 1 21/n 1","-P 2yn","14","","","","- C43 H36 O -","- C43 H36 O -","- C172 H144 O4 -","4","1","","Kaiser, Reinhard Peter; Mosinger, Jiri; Cisarova, Ivana; Kotora, Martin","Synthesis of Selectively 4-Substituted 9,9´-Spirobifluorenes and Modulation of Their Photophysical Properties.","Org. Biomol. Chem.","2017","","","","","10.1039/C7OB01319A","","","0.71073","MoKα","","0.0517","0.0409","","","0.1025","0.1112","","","","","","1.029","","","","has coordinates","197912","2020-10-21","18:00:00",""
"7155703","16.9235","0.0004","9.141","0.0002","28.7305","0.0007","90","","100.728","0.001","90","","4366.86","0.18","150","2","150","2","","","","","","","synthesized by the authors","4","P 1 21/c 1","-P 2ybc","14","","","","- C51 H50 B10 O -","- C51 H50 B10 O -","- C204 H200 B40 O4 -","4","1","","Kaiser, Reinhard Peter; Mosinger, Jiri; Cisarova, Ivana; Kotora, Martin","Synthesis of Selectively 4-Substituted 9,9´-Spirobifluorenes and Modulation of Their Photophysical Properties.","Org. Biomol. Chem.","2017","","","","","10.1039/C7OB01319A","","","1.54178","CuKα","","0.0546","0.0455","","","0.1154","0.1211","","","","","","1.028","","","","has coordinates","197912","2020-10-21","18:00:00",""
"7155704","8.333","0.0002","11.6908","0.0003","18.3693","0.0004","88.57","0.001","86.248","0.001","72.826","0.001","1706.04","0.07","150","2","150","2","","","","","","","synthesized by the authors","2","P -1","-P 1","2","","","","- C48 H38 -","- C48 H38 -","- C96 H76 -","2","1","","Kaiser, Reinhard Peter; Mosinger, Jiri; Cisarova, Ivana; Kotora, Martin","Synthesis of Selectively 4-Substituted 9,9´-Spirobifluorenes and Modulation of Their Photophysical Properties.","Org. Biomol. Chem.","2017","","","","","10.1039/C7OB01319A","","","0.71073","MoKα","","0.0657","0.0474","","","0.1275","0.1392","","","","","","1.056","","","","has coordinates","197912","2020-10-21","18:00:00",""
"7155705","35.6573","0.0008","9.6469","0.0002","22.6588","0.0004","90","","128.858","0.0005","90","","6069.4","0.2","150","2","150","2","","","","","","","synthesized by the authors","3","C 1 2/c 1","-C 2yc","15","","","","- C42 H33 Cl -","- C42 H33 Cl -","- C336 H264 Cl8 -","8","1","","Kaiser, Reinhard Peter; Mosinger, Jiri; Cisarova, Ivana; Kotora, Martin","Synthesis of Selectively 4-Substituted 9,9´-Spirobifluorenes and Modulation of Their Photophysical Properties.","Org. Biomol. Chem.","2017","","","","","10.1039/C7OB01319A","","","0.71073","MoKα","","0.0528","0.0425","","","0.1098","0.1179","","","","","","1.041","","","","has coordinates","197912","2020-10-21","18:00:00",""
"7155706","14.207","0.005","5.497","0.005","24.708","0.005","90","0.005","106.065","0.005","90","0.005","1854.2","1.8","298","2","298","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","Indole-C3-thio pyridine derivative1","Indole-C3-thio pyridine derivative1","","- C23 H20 N2 S -","- C23 H20 N2 S -","- C92 H80 N8 S4 -","4","1","","Chowdhury, Hrishikesh; Goswami, Avijit","Synthesis of 3-(2-Thiopyridiyl)indoles via Ruthenium Catalyzed [2+2+2] Cycloaddition of Diynes and 3-Thiocyanatoindoles","Org. Biomol. Chem.","2017","","","","","10.1039/C7OB01101F","","","0.71073","MoKα","","0.2434","0.069","","","0.1112","0.1534","","","","","","0.984","","","","has coordinates","197913","2020-10-21","18:00:00",""
"7155707","10.825","0.005","8.969","0.005","15.96","0.005","90","0.005","101.245","0.005","90","0.005","1519.8","1.2","298","2","298","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","Indole-C3-thio cyanide","Indole-C3-thio cyanide","","- C17 H14 N2 O S -","- C17 H14 N2 O S -","- C68 H56 N8 O4 S4 -","4","1","","Chowdhury, Hrishikesh; Goswami, Avijit","Synthesis of 3-(2-Thiopyridiyl)indoles via Ruthenium Catalyzed [2+2+2] Cycloaddition of Diynes and 3-Thiocyanatoindoles","Org. Biomol. Chem.","2017","","","","","10.1039/C7OB01101F","","","0.71073","MoKα","","0.0676","0.0458","","","0.111","0.1227","","","","","","1.049","","","","has coordinates","197913","2020-10-21","18:00:00",""
"7155708","17.5208","0.0009","12.0966","0.0007","12.4375","0.0006","90","","94.984","0.002","90","","2626.1","0.2","298","2","298","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","Indole-C3-thio pyridine derivative2","Indole-C3-thio pyridine derivative2","","- C31 H30 N2 O2 S -","- C31 H30 N2 O2 S -","- C124 H120 N8 O8 S4 -","4","1","","Chowdhury, Hrishikesh; Goswami, Avijit","Synthesis of 3-(2-Thiopyridiyl)indoles via Ruthenium Catalyzed [2+2+2] Cycloaddition of Diynes and 3-Thiocyanatoindoles","Org. Biomol. Chem.","2017","","","","","10.1039/C7OB01101F","","","0.71073","MoKα","","0.0781","0.0533","","","0.1257","0.14","","","","","","1.049","","","","has coordinates","197913","2020-10-21","18:00:00",""
"7155709","10.1014","0.0007","11.8755","0.0008","19.3441","0.0014","80.723","0.003","80.515","0.004","89.777","0.004","2258.2","0.3","298","2","298","2","","","","","","","","5","P -1","-P 1","2","3-thio Indole-derivative","3-thio Indole-derivative","","- C28 H22 N2 O S -","- C28 H22 N2 O S -","- C112 H88 N8 O4 S4 -","4","2","","Chowdhury, Hrishikesh; Goswami, Avijit","Synthesis of 3-(2-Thiopyridiyl)indoles via Ruthenium Catalyzed [2+2+2] Cycloaddition of Diynes and 3-Thiocyanatoindoles","Org. Biomol. Chem.","2017","","","","","10.1039/C7OB01101F","","","0.71073","MoKα","","0.2438","0.1196","","","0.217","0.263","","","","","","1.083","","","","has coordinates","197913","2020-10-21","18:00:00",""
"7155710","8.2713","0.0011","15.4059","0.0017","10.6562","0.0014","90","","100.751","0.004","90","","1334.1","0.3","173","2","173","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C13 H12 F3 N3 O -","- C13 H12 F3 N3 O -","- C52 H48 F12 N12 O4 -","4","1","","Ji, Heng; Ni, Hui-qiong; Zhi, Peng; Xi, Zi-wei; Wang, Wei; Shi, Jian-jun; Shen, Yong-miao","Visible-light mediated directed perfluoroalkylation of hydrazones","Org. Biomol. Chem.","2017","","","","","10.1039/C7OB01144J","","","0.71073","MoKα","","0.106","0.0528","","","0.0946","0.1113","","","","","","1.043","","","","has coordinates","197960","2020-10-21","18:00:00",""
"7155711","21.57","0.004","5.4827","0.0009","19.132","0.003","90","","104.557","0.004","90","","2190","0.6","173","2","173","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C19 H13 F17 N2 O -","- C19 H13 F17 N2 O -","- C76 H52 F68 N8 O4 -","4","1","","Ji, Heng; Ni, Hui-qiong; Zhi, Peng; Xi, Zi-wei; Wang, Wei; Shi, Jian-jun; Shen, Yong-miao","Visible-light mediated directed perfluoroalkylation of hydrazones","Org. Biomol. Chem.","2017","","","","","10.1039/C7OB01144J","","","0.71073","MoKα","","0.1492","0.1024","","","0.263","0.2893","","","","","","1.161","","","","has coordinates,has disorder","197960","2020-10-21","18:00:00",""
"7155712","15.1069","0.0003","18.0326","0.0004","18.7735","0.0004","90","","100.397","0.002","90","","5030.24","0.19","150","0.1","150","0.1","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C26 H32 Cl2 N2 Pd -","- C26 H32 Cl2 N2 Pd -","- C208 H256 Cl16 N16 Pd8 -","8","2","","Chen, Fu-Min; Lu, Dong-Dong; Hu, Li-Qun; Huang, Ju; Liu, Feng-Shou","Camphyl-based α-Diimine Palladium Complexes: Highly Efficient Precatalysts for Direct Arylation of Thiazoles in Open-Air","Org. Biomol. Chem.","2017","","","","","10.1039/C7OB00856B","","","1.54178","CuKα","","0.059","0.0535","","","0.1296","0.1345","","","","","","1.056","","","","has coordinates","197961","2020-10-21","18:00:00",""
"7155713","15.0879","0.0014","17.9838","0.0017","8.8566","0.0009","90","","103.191","0.003","90","","2339.7","0.4","200","2","200","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C25 H24 N4 O5 -","- C25 H24 N4 O5 -","- C100 H96 N16 O20 -","4","1","","Balalaie, Saeed; Shamakli, Mohammad; Nikbakht, Ali -; S. Alavijeh, Nahid; Rominger, Frank -; Rostamizadeh, Shahnaz; Bijanzadeh, Hamid Raza -","Direct access to isoxazolino and isoxazolo benzazepines from 2-((hydroxyimino)methyl) benzoic acid via a post-Ugi heteroannulation","Org. Biomol. Chem.","2017","","","","","10.1039/C7OB01142C","","","0.71073","MoKα","","0.0878","0.0552","","","0.1458","0.1632","","","","","","1.086","","","","has coordinates,has disorder","198025","2020-10-21","18:00:00",""
"7155714","8.6689","0.0003","10.6916","0.0004","13.0284","0.0004","77.844","0.003","81.09","0.003","71.413","0.003","1113.85","0.07","100","2","100","2","","","","","","","","4","P -1","-P 1","2","","","","- C25 H24 N4 O5 -","- C25 H24 N4 O5 -","- C50 H48 N8 O10 -","2","1","","Balalaie, Saeed; Shamakli, Mohammad; Nikbakht, Ali -; S. Alavijeh, Nahid; Rominger, Frank -; Rostamizadeh, Shahnaz; Bijanzadeh, Hamid Raza -","Direct access to isoxazolino and isoxazolo benzazepines from 2-((hydroxyimino)methyl) benzoic acid via a post-Ugi heteroannulation","Org. Biomol. Chem.","2017","","","","","10.1039/C7OB01142C","","","1.54178","CuKα","","0.0548","0.0352","","","0.0783","0.0828","","","","","","0.848","","","","has coordinates","198025","2020-10-21","18:00:00",""
"7155715","8.2136","0.0007","10.294","0.0009","22.413","0.002","85.572","0.007","88.689","0.009","69.865","0.005","1773.9","0.3","100","2","100","2","","","","","","","","4","P -1","-P 1","2","22-membered pentamide Unclosed Cryptand","","","- C30 H33.25 N7 O13.1 -","- C30.004 H33.25 N7 O13.1 -","- C60.008 H66.5 N14 O26.2 -","2","1","","Dąbrowa, Kajetan; Ulatowski, Filip; Lichosyt, Dawid; Jurczak, Janusz","Catching chloride: searching for non-Hofmeister selectivity behavior in systematically varied polyamide macrocyclic receptors","Org. Biomol. Chem.","2017","","","","","10.1039/C7OB01385J","","","0.71073","MoKα","","0.068","0.0503","","","0.1631","0.1744","","","","","","1.092","","","","has coordinates,has disorder","198131","2020-10-21","18:00:00",""
"7155716","9.9445","0.0006","15.7022","0.0008","30.3358","0.0018","90","","98.244","0.005","90","","4688","0.5","100","2","100","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C44 H65 Cl N8 O10 -","- C44 H65 Cl N8 O10 -","- C176 H260 Cl4 N32 O40 -","4","1","","Dąbrowa, Kajetan; Ulatowski, Filip; Lichosyt, Dawid; Jurczak, Janusz","Catching chloride: searching for non-Hofmeister selectivity behavior in systematically varied polyamide macrocyclic receptors","Org. Biomol. Chem.","2017","","","","","10.1039/C7OB01385J","","","0.71073","MoKα","","0.0615","0.0327","","","0.0731","0.078","","","","","","0.916","","","","has coordinates","198131","2020-10-21","18:00:00",""
"7155717","7.0259","0.0003","6.8005","0.0003","14.1172","0.0006","90","","93.843","0.004","90","","673","0.05","111.7","","111.7","","","","","","","","","3","P 1 21 1","P 2yb","4","","","","- C16 H16 O6 -","- C16 H16 O6 -","- C32 H32 O12 -","2","1","","Zhu, Hui; Yang, Ya-nan; Xu, Kuo; Xie, Jing; Feng, Zi-ming; Jiang, Jian-shuang; Zhang, pei cheng","Sophopterocarpan A, a novel pterocarpine derivative with a benzotetrahydrofuran-fused bicyclo [3.3.1] nonane from Sophora flavescens","Org. Biomol. Chem.","2017","","","","","10.1039/C7OB01261F","","","1.5418","CuKα","","0.0364","0.035","","","0.0926","0.0944","","","","","","1.034","","","","has coordinates","198132","2020-10-21","18:00:00",""
"7155718","10.7682","0.0005","18.6312","0.0008","10.2412","0.0005","90","","110.113","0.001","90","","1929.34","0.15","284","2","284","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C19 H23 N O2 S2 -","- C19 H23 N O2 S2 -","- C76 H92 N4 O8 S8 -","4","1","","Liu, Tao; Tian, Jun; Gao, Wenchao; Chang, Hong hong; Liu, Qiang; Li, Xing; Wei, Wen long","Intermolecular Sulfenoamination of Alkenes with Sulfonylamides and N-Sulfanylsuccinimides to Access beta-Sulfonylamino Sulfides and Dihydrobenzothiazines","Org. Biomol. Chem.","2017","","","","","10.1039/C7OB01225J","","","0.71073","MoKα","","0.0773","0.053","","","0.143","0.1627","","","","","","1.007","","","","has coordinates","198158","2020-10-21","18:00:00",""
"7155719","10.7451","0.0004","24.1196","0.0008","10.5407","0.0004","90","","100.488","0.001","90","","2686.17","0.17","290","2","290","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C29 H27 Cl N O3 S2 -","- C29 H27 Cl N O3 S2 -","- C116 H108 Cl4 N4 O12 S8 -","4","1","","Liu, Tao; Tian, Jun; Gao, Wenchao; Chang, Hong hong; Liu, Qiang; Li, Xing; Wei, Wen long","Intermolecular Sulfenoamination of Alkenes with Sulfonylamides and N-Sulfanylsuccinimides to Access beta-Sulfonylamino Sulfides and Dihydrobenzothiazines","Org. Biomol. Chem.","2017","","","","","10.1039/C7OB01225J","","","0.71073","MoKα","","0.0913","0.0614","","","0.1417","0.1569","","","","","","1.063","","","","has coordinates","198158","2020-10-21","18:00:00",""
"7155720","17.0838","0.0003","5.23428","0.00009","14.8641","0.0003","90","","90.8577","0.0017","90","","1329.02","0.04","150","0.1","293","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C17 H15 N O2 -","- C17 H15 N O2 -","- C68 H60 N4 O8 -","4","1","","Paterson, Andrew; Heron, Callum; McMullin, Claire; Mahon, Mary F.; Press, Neil J.; Frost, Christopher G.","α-halo carbonyls enable meta selective primary, secondary and tertiary C-H alkylations by ruthenium catalysis","Org. Biomol. Chem.","2017","","","","","10.1039/C7OB01192J","","","1.54184","CuKα","","0.0421","0.0369","","","0.0957","0.0998","","","","","","1.016","","","","has coordinates","198159","2020-10-21","18:00:00",""
"7155721","37.637","0.003","4.9401","0.0005","11.5774","0.0011","90","","94.936","0.003","90","","2144.6","0.3","273","0.2","273","0.2","","","","","","","","4","C 1 c 1","C -2yc","9","","","","- C27 H19 F5 O -","- C27 H19 F5 O -","- C108 H76 F20 O4 -","4","1","","Yamada, Shigeyuki; Miyano, Kazuya; Konno, Tsutomu; Agou, Tomohiro; Kubota, Toshio; Hosokai, Takuya","Fluorine-containing bistolanes as light-emitting liquid crystalline molecules","Org. Biomol. Chem.","2017","","","","","10.1039/C7OB01369H","","","0.71073","MoKα","","0.0521","0.0395","","","0.1149","0.1265","","","","","","0.876","","","","has coordinates","198160","2020-10-21","18:00:00",""
"7155722","6.003","0.0005","7.6051","0.0007","40.901","0.003","90","","92.432","0.008","90","","1865.6","0.3","298","2","298","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C23 H11 F5 O -","- C23 H11 F5 O -","- C92 H44 F20 O4 -","4","1","","Yamada, Shigeyuki; Miyano, Kazuya; Konno, Tsutomu; Agou, Tomohiro; Kubota, Toshio; Hosokai, Takuya","Fluorine-containing bistolanes as light-emitting liquid crystalline molecules","Org. Biomol. Chem.","2017","","","","","10.1039/C7OB01369H","","","0.71073","MoKα","","0.0975","0.0628","","","0.1675","0.2093","","","","","","1.036","","","","has coordinates","198160","2020-10-21","18:00:00",""
"7155723","5.5711","0.0001","14.4715","0.0004","15.8198","0.0005","90","","94.691","0.002","90","","1271.15","0.06","290","2","290","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C16 H14 N2 O -","- C16 H14 N2 O -","- C64 H56 N8 O4 -","4","1","","Cui, Baodong; Shang, Jing; Yuan, Changlun; Han, Wen-Yong; Wan, Nanwei; Chen, Yong-Zheng","Synthesis of 2,3'-Spirobi[indolin]-2-ones Enabled by a Tandem Nucleophilic Benzylation/C(sp2)-N Cross-Coupling Reaction Sequence","Org. Biomol. Chem.","2017","","","","","10.1039/C7OB01343D","","","1.54184","CuKα","","0.0437","0.0394","","","0.105","0.1104","","","","","","1.047","","","","has coordinates","198161","2020-10-21","18:00:00",""
"7155724","11.908","0.002","17.703","0.004","17.953","0.004","84.06","0.03","70.79","0.03","86.23","0.03","3552.7","1.4","93","2","93","2","","","","","","","synthesis","4","P 1","P 1","1","","Z-(Leu-Leu-AC6)2-Leu-Leu-OMe.3EtOH","","- C62 H107 N8 O16.5 -","- C62 H107 N8 O16.5 -","- C124 H214 N16 O33 -","2","2","","Furukawa, Kaori; Oba, Makoto; Toyama, Kotomi; Opiyo, George Ouma; Demizu, Yosuke; Kurihara, Masaaki; Doi, Mitsunobu; Tanaka, Masakazu","Low pH-triggering Changes in Peptide Secondary Structures","Org. Biomol. Chem.","2017","","","","","10.1039/C7OB01374D","","","0.71073","MoKα","","0.1642","0.0998","","","0.2421","0.3067","","","","","","0.963","","","","has coordinates","203412","2020-10-21","18:00:00",""
"7155725","10.478","0.002","12.291","0.002","17.574","0.003","90","","93.197","0.002","90","","2259.7","0.7","296","2","296","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C24 H22 N2 O6 S -","- C24 H22 N2 O6 S -","- C96 H88 N8 O24 S4 -","4","1","","Mao, Hui; You, Bingxin; Zhou, Liejin; Xie, Tingting; Wen, Yihang; Lv, Xin; Wang, Xiaoxia","SmI2-mediated reductive cyclization of β-arylthio ketones: a facile and diastereoselective synthesis of thiochroman derivatives","Org. Biomol. Chem.","2017","","","","","10.1039/C7OB01082F","","","0.71073","MoKα","","0.0826","0.0475","","","0.1117","0.1384","","","","","","0.89","","","","has coordinates","198230","2020-10-21","18:00:00",""
"7155726","7.6687","0.0009","9.7813","0.0011","9.8658","0.0011","116.485","0.003","91.631","0.003","102.325","0.003","640.6","0.13","100","2","100","","","","","","","","","5","P -1","-P 1","2","","","","- C12 H13 Cl N4 O -","- C12 H13 Cl N4 O -","- C24 H26 Cl2 N8 O2 -","2","1","","Collet, Jurrien; Foley, Christopher; Shaw, Arthur Y.; Orru, Romano; Ruijter, E.; Hulme, Christopher","Copper (I) Catalyzed Oxidative Hydrolysis of Ugi 3-Component and Ugi-Azide Reaction Products Towards 2o α-Ketoamides and α-Ketotetrazoles","Org. Biomol. Chem.","2017","","","","","10.1039/C7OB00881C","","","0.71073","MoKα","","0.0408","0.0354","","","0.0822","0.0857","","","","","","1.027","","","","has coordinates,has disorder","198276","2020-10-21","18:00:00",""
"7155727","6.6815","0.0003","15.5318","0.0006","20.9543","0.0008","90","","95.279","0.001","90","","2165.32","0.15","100","2","100","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C25 H34 Cl N -","- C25 H34 Cl N -","- C100 H136 Cl4 N4 -","4","1","","Erker, Gerhard; Wang, Tongdao; Kohrt, Sonja; Daniliuc, Constantin Gabriel; Kehr, Gerald","Borata-Wittig Olefination Reactions of Ketones, Carboxylic Esters and Amides with Bis(pentafluorophenyl)borata-alkene Reagents","Org. Biomol. Chem.","2017","","","","","10.1039/C7OB01591G","","","0.71073","MoKα","","0.0439","0.0339","","","0.0762","0.081","","","","","","1.061","","","","has coordinates","198305","2020-10-21","18:00:00",""
"7155728","11.575","0.0001","21.5349","0.0003","18.6398","0.0004","90","","97.633","0.0001","90","","4605.11","0.12","223","2","223","2","","","","","","","","8","P 1 21/c 1","-P 2ybc","14","","","","- C47 H52 B Cl2 F10 Li N2 O -","- C47 H52 B Cl2 F10 Li N2 O -","- C188 H208 B4 Cl8 F40 Li4 N8 O4 -","4","1","","Erker, Gerhard; Wang, Tongdao; Kohrt, Sonja; Daniliuc, Constantin Gabriel; Kehr, Gerald","Borata-Wittig Olefination Reactions of Ketones, Carboxylic Esters and Amides with Bis(pentafluorophenyl)borata-alkene Reagents","Org. Biomol. Chem.","2017","","","","","10.1039/C7OB01591G","","","0.71073","MoKα","","0.1242","0.0749","","","0.1256","0.1513","","","","","","1.098","","","","has coordinates,has disorder","198305","2020-10-21","18:00:00",""
"7155729","11.9795","0.0002","16.9234","0.0003","15.3648","0.0003","90","","96.686","0.001","90","","3093.78","0.1","223","2","223","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C29 H28 B F10 Li N2 -","- C29 H28 B F10 Li N2 -","- C116 H112 B4 F40 Li4 N8 -","4","1","","Erker, Gerhard; Wang, Tongdao; Kohrt, Sonja; Daniliuc, Constantin Gabriel; Kehr, Gerald","Borata-Wittig Olefination Reactions of Ketones, Carboxylic Esters and Amides with Bis(pentafluorophenyl)borata-alkene Reagents","Org. Biomol. Chem.","2017","","","","","10.1039/C7OB01591G","","","0.71073","MoKα","","0.0989","0.071","","","0.1426","0.1548","","","","","","1.042","","","","has coordinates","198305","2020-10-21","18:00:00",""
"7155730","10.4348","0.0003","31.1087","0.0008","11.4021","0.0003","90","","108.364","0.001","90","","3512.78","0.17","100","2","100","2","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C38 H37 B F10 Li N O -","- C38 H37 B F10 Li N O -","- C152 H148 B4 F40 Li4 N4 O4 -","4","1","","Erker, Gerhard; Wang, Tongdao; Kohrt, Sonja; Daniliuc, Constantin Gabriel; Kehr, Gerald","Borata-Wittig Olefination Reactions of Ketones, Carboxylic Esters and Amides with Bis(pentafluorophenyl)borata-alkene Reagents","Org. Biomol. Chem.","2017","","","","","10.1039/C7OB01591G","","","1.54178","CuKα","","0.0401","0.0356","","","0.0888","0.0914","","","","","","1.035","","","","has coordinates","198305","2020-10-21","18:00:00",""
"7155731","10.1438","0.0008","19.1936","0.0016","10.2323","0.0008","90","","91.835","0.009","90","","1991.2","0.3","100","2","100","2","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C42 H30 B2 F20 Li N -","- C42 H30 B2 F20 Li N -","- C84 H60 B4 F40 Li2 N2 -","2","1","","Erker, Gerhard; Wang, Tongdao; Kohrt, Sonja; Daniliuc, Constantin Gabriel; Kehr, Gerald","Borata-Wittig Olefination Reactions of Ketones, Carboxylic Esters and Amides with Bis(pentafluorophenyl)borata-alkene Reagents","Org. Biomol. Chem.","2017","","","","","10.1039/C7OB01591G","","","1.54178","CuKα","","0.0494","0.038","","","0.0823","0.0869","","","","","","1.029","","","","has coordinates","198305","2020-10-21","18:00:00",""
"7155732","10.2492","0.0003","11.9411","0.0003","18.0278","0.0005","80.152","0.001","74.012","0.001","74.399","0.001","2031.64","0.1","100","2","100","2","","","","","","","","8","P -1","-P 1","2","","","","- C44 H41 B Cl2 F10 Li N O -","- C44 H41 B Cl2 F10 Li N O -","- C88 H82 B2 Cl4 F20 Li2 N2 O2 -","2","1","","Erker, Gerhard; Wang, Tongdao; Kohrt, Sonja; Daniliuc, Constantin Gabriel; Kehr, Gerald","Borata-Wittig Olefination Reactions of Ketones, Carboxylic Esters and Amides with Bis(pentafluorophenyl)borata-alkene Reagents","Org. Biomol. Chem.","2017","","","","","10.1039/C7OB01591G","","","1.54178","CuKα","","0.0428","0.0365","","","0.0895","0.0931","","","","","","1.044","","","","has coordinates,has disorder","198305","2020-10-21","18:00:00",""
"7155733","11.5212","0.0004","12.3482","0.0004","17.2949","0.0006","74.832","0.001","84.57","0.001","84.573","0.001","2357.86","0.14","100","2","100","2","","","","","","","","8","P -1","-P 1","2","","","","- C47.5 H55 B Cl3 F10 Li N2 O -","- C47.5 H55 B Cl3 F10 Li N2 O -","- C95 H110 B2 Cl6 F20 Li2 N4 O2 -","2","1","","Erker, Gerhard; Wang, Tongdao; Kohrt, Sonja; Daniliuc, Constantin Gabriel; Kehr, Gerald","Borata-Wittig Olefination Reactions of Ketones, Carboxylic Esters and Amides with Bis(pentafluorophenyl)borata-alkene Reagents","Org. Biomol. Chem.","2017","","","","","10.1039/C7OB01591G","","","0.71073","MoKα","","0.0563","0.0396","","","0.0862","0.0938","","","","","","1.04","","","","has coordinates,has disorder","198305","2020-10-21","18:00:00",""
"7155734","11.386","0.0002","12.1287","0.0003","15.1316","0.0003","91.934","0.002","94.577","0.001","99.948","0.001","2049.25","0.07","223","2","223","2","","","","","","","","7","P -1","-P 1","2","","","","- C38 H50 B F10 Li N2 O -","- C38 H50 B F10 Li N2 O -","- C76 H100 B2 F20 Li2 N4 O2 -","2","1","","Erker, Gerhard; Wang, Tongdao; Kohrt, Sonja; Daniliuc, Constantin Gabriel; Kehr, Gerald","Borata-Wittig Olefination Reactions of Ketones, Carboxylic Esters and Amides with Bis(pentafluorophenyl)borata-alkene Reagents","Org. Biomol. Chem.","2017","","","","","10.1039/C7OB01591G","","","0.71073","MoKα","","0.0744","0.0603","","","0.1347","0.1428","","","","","","1.041","","","","has coordinates","198305","2020-10-21","18:00:00",""
"7155735","12.3926","0.0009","14.9007","0.0013","16.795","0.0014","72.685","0.005","82.243","0.005","84.547","0.005","2928.8","0.4","100","2","100","2","","","","","","","","6","P -1","-P 1","2","","","","- C30 H29 B F10 Li N -","- C30 H29 B F10 Li N -","- C120 H116 B4 F40 Li4 N4 -","4","2","","Erker, Gerhard; Wang, Tongdao; Kohrt, Sonja; Daniliuc, Constantin Gabriel; Kehr, Gerald","Borata-Wittig Olefination Reactions of Ketones, Carboxylic Esters and Amides with Bis(pentafluorophenyl)borata-alkene Reagents","Org. Biomol. Chem.","2017","","","","","10.1039/C7OB01591G","","","1.54178","CuKα","","0.106","0.0621","","","0.1521","0.1816","","","","","","1.034","","","","has coordinates","198305","2020-10-21","18:00:00",""
"7155736","9.8919","0.0003","11.1034","0.0004","11.1528","0.0004","105.335","0.001","98.663","0.001","106.303","0.001","1099.87","0.07","101","2","101","2","","","","","","","","7","P -1","-P 1","2","","","","- C42 H38 B2 F20 Li2 N2 O2 -","- C42 H38 B2 F20 Li2 N2 O2 -","- C42 H38 B2 F20 Li2 N2 O2 -","1","0.5","","Erker, Gerhard; Wang, Tongdao; Kohrt, Sonja; Daniliuc, Constantin Gabriel; Kehr, Gerald","Borata-Wittig Olefination Reactions of Ketones, Carboxylic Esters and Amides with Bis(pentafluorophenyl)borata-alkene Reagents","Org. Biomol. Chem.","2017","","","","","10.1039/C7OB01591G","","","0.71073","MoKα","","0.0505","0.0352","","","0.0808","0.0887","","","","","","1.032","","","","has coordinates","198305","2020-10-21","18:00:00",""
"7155737","9.4685","0.0002","11.0334","0.0002","21.6455","0.0004","90","","93.492","0.001","90","","2257.1","0.08","223","2","223","2","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C42 H38 B2 F20 Li2 N2 O2 -","- C42 H38 B2 F20 Li2 N2 O2 -","- C84 H76 B4 F40 Li4 N4 O4 -","2","0.5","","Erker, Gerhard; Wang, Tongdao; Kohrt, Sonja; Daniliuc, Constantin Gabriel; Kehr, Gerald","Borata-Wittig Olefination Reactions of Ketones, Carboxylic Esters and Amides with Bis(pentafluorophenyl)borata-alkene Reagents","Org. Biomol. Chem.","2017","","","","","10.1039/C7OB01591G","","","0.71073","MoKα","","0.0767","0.0582","","","0.1413","0.1594","","","","","","1.062","","","","has coordinates","198305","2020-10-21","18:00:00",""
"7155738","7.4978","0.0003","10.8784","0.0003","14.5077","0.0005","83.472","0.001","89.713","0.001","73.889","0.001","1129.03","0.07","100","2","100","2","","","","","","","","6","P -1","-P 1","2","","","","- C48 H46 B2 F20 Li2 N2 -","- C48 H46 B2 F20 Li2 N2 -","- C48 H46 B2 F20 Li2 N2 -","1","0.5","","Erker, Gerhard; Wang, Tongdao; Kohrt, Sonja; Daniliuc, Constantin Gabriel; Kehr, Gerald","Borata-Wittig Olefination Reactions of Ketones, Carboxylic Esters and Amides with Bis(pentafluorophenyl)borata-alkene Reagents","Org. Biomol. Chem.","2017","","","","","10.1039/C7OB01591G","","","0.71073","MoKα","","0.0423","0.0338","","","0.0824","0.0883","","","","","","1.016","","","","has coordinates","198305","2020-10-21","18:00:00",""
"7155739","25.0211","0.0008","13.2663","0.0005","13.5992","0.0004","90","","103.116","0.002","90","","4396.3","0.3","100","2","100","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C25 H32.52 Cl N O0.26 -","- C25 H32.524 Cl N O0.262 -","- C200 H260.192 Cl8 N8 O2.096 -","8","2","","Erker, Gerhard; Wang, Tongdao; Kohrt, Sonja; Daniliuc, Constantin Gabriel; Kehr, Gerald","Borata-Wittig Olefination Reactions of Ketones, Carboxylic Esters and Amides with Bis(pentafluorophenyl)borata-alkene Reagents","Org. Biomol. Chem.","2017","","","","","10.1039/C7OB01591G","","","1.54178","CuKα","","0.0669","0.0483","","","0.118","0.127","","","","","","1.075","","","","has coordinates,has disorder","198305","2020-10-21","18:00:00",""
"7155740","26.6576","0.0019","17.0458","0.0014","20.604","0.003","90","","123.014","0.002","90","","7850.8","1.4","100","2","100","2","","","","","","","","7","C 1 2/c 1","-C 2yc","15","","","","- C38 H50 B F10 Li N2 O -","- C38 H50 B F10 Li N2 O -","- C304 H400 B8 F80 Li8 N16 O8 -","8","1","","Erker, Gerhard; Wang, Tongdao; Kohrt, Sonja; Daniliuc, Constantin Gabriel; Kehr, Gerald","Borata-Wittig Olefination Reactions of Ketones, Carboxylic Esters and Amides with Bis(pentafluorophenyl)borata-alkene Reagents","Org. Biomol. Chem.","2017","","","","","10.1039/C7OB01591G","","","0.71073","MoKα","","0.0621","0.0424","","","0.0973","0.1096","","","","","","1.033","","","","has coordinates,has disorder","198305","2020-10-21","18:00:00",""
"7155741","10.1977","0.0003","13.1232","0.0005","13.9306","0.0005","95.042","0.002","90.491","0.002","109.468","0.002","1749.47","0.11","173","2","173","2","","","","","","","","8","P -1","-P 1","2","","","","- C37 H34 B Cl F10 Li N O -","- C37 H34 B Cl F10 Li N O -","- C74 H68 B2 Cl2 F20 Li2 N2 O2 -","2","1","","Erker, Gerhard; Wang, Tongdao; Kohrt, Sonja; Daniliuc, Constantin Gabriel; Kehr, Gerald","Borata-Wittig Olefination Reactions of Ketones, Carboxylic Esters and Amides with Bis(pentafluorophenyl)borata-alkene Reagents","Org. Biomol. Chem.","2017","","","","","10.1039/C7OB01591G","","","0.71073","MoKα","","0.1108","0.0747","","","0.1301","0.1512","","","","","","1.118","","","","has coordinates","198305","2020-10-21","18:00:00",""
"7155742","10.585","0.002","17.682","0.004","21.378","0.004","90","","90","","90","","4001.2","1.4","153","2","153.15","","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","(2S,3R)-1'-Benzyl-3-(4-bromophenyl)-3H-spiro[furan-2,3'-indoline]-2',5(4H)-dione","","- C24 H18 Br N O3 -","- C24 H18 Br N O3 -","- C192 H144 Br8 N8 O24 -","8","2","","Ming, Sheng; Zhao, Bo-Liang; Du, Da-Ming","Chiral squaramide-catalysed enantioselective Michael/cyclization cascade reaction of 3-hydroxyoxindoles with α,β-unsaturated N-acylated succinimides","Org. Biomol. Chem.","2017","","","","","10.1039/C7OB01307H","","","0.71073","MoKα","","0.0504","0.0453","","","0.0928","0.0956","","","","","","1.099","","","","has coordinates","198451","2020-10-21","18:00:00",""
"7155743","9.1323","0.0005","27.5891","0.0014","12.2546","0.0006","90","","102.328","0.0016","90","","3016.4","0.3","296","2","296","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C40 H25 F2 N O2 -","- C40 H25 F2 N O2 -","- C160 H100 F8 N4 O8 -","4","1","","Yang, Ren-Yin; Sun, Jing; Sun, Qiu; Yan, Chao Guo","Selective Construction of Polycyclic Spirooxindoles via Cu(OTf)2/HOTf-catalyzed Domino Reaction of o-Arylalkynylacetophenones and 3-Phenacylideneoxindoles","Org. Biomol. Chem.","2017","","","","","10.1039/C7OB01292F","","","0.71073","MoKα","","0.1396","0.0592","","","0.121","0.1456","","","","","","1.014","","","","has coordinates","198452","2020-10-21","18:00:00",""
"7155744","10.5661","0.0018","13.057","0.002","13.553","0.002","65.881","0.005","81.281","0.005","75.729","0.005","1651.2","0.5","296","2","296","2","","","","","","","","5","P -1","-P 1","2","","","","- C40 H25 Cl2 N O2 -","- C40 H25 Cl2 N O2 -","- C80 H50 Cl4 N2 O4 -","2","1","","Yang, Ren-Yin; Sun, Jing; Sun, Qiu; Yan, Chao Guo","Selective Construction of Polycyclic Spirooxindoles via Cu(OTf)2/HOTf-catalyzed Domino Reaction of o-Arylalkynylacetophenones and 3-Phenacylideneoxindoles","Org. Biomol. Chem.","2017","","","","","10.1039/C7OB01292F","","","0.71073","MoKα","","0.0791","0.0527","","","0.1546","0.1663","","","","","","1.055","","","","has coordinates","198452","2020-10-21","18:00:00",""
"7155745","10.0836","0.0007","12.5395","0.001","13.2044","0.001","74.853","0.002","68.565","0.002","71.764","0.002","1455.54","0.19","296","2","296","2","","","","","","","","5","P -1","-P 1","2","","","","- C40 H26 F N O2 -","- C40 H26 F N O2 -","- C80 H52 F2 N2 O4 -","2","1","","Yang, Ren-Yin; Sun, Jing; Sun, Qiu; Yan, Chao Guo","Selective Construction of Polycyclic Spirooxindoles via Cu(OTf)2/HOTf-catalyzed Domino Reaction of o-Arylalkynylacetophenones and 3-Phenacylideneoxindoles","Org. Biomol. Chem.","2017","","","","","10.1039/C7OB01292F","","","0.71073","MoKα","","0.1015","0.0502","","","0.1159","0.1276","","","","","","1.019","","","","has coordinates","198452","2020-10-21","18:00:00",""
"7155746","11.5428","0.0013","13.0504","0.0015","20.6374","0.0018","90","","108.573","0.005","90","","2946.9","0.5","296","2","296","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C41 H29 N O3 -","- C41 H29 N O3 -","- C164 H116 N4 O12 -","4","1","","Yang, Ren-Yin; Sun, Jing; Sun, Qiu; Yan, Chao Guo","Selective Construction of Polycyclic Spirooxindoles via Cu(OTf)2/HOTf-catalyzed Domino Reaction of o-Arylalkynylacetophenones and 3-Phenacylideneoxindoles","Org. Biomol. Chem.","2017","","","","","10.1039/C7OB01292F","","","0.71073","MoKα","","0.1703","0.0578","","","0.1158","0.1389","","","","","","0.942","","","","has coordinates","198452","2020-10-21","18:00:00",""
"7155747","12.8383","0.0018","13.0875","0.0018","14.1034","0.0019","71.229","0.004","69.868","0.004","65.226","0.003","1975.8","0.5","296","2","296","2","","","","","","","","5","P -1","-P 1","2","","","","- C39 H25 Cl N2 O4 -","- C39 H25 Cl N2 O4 -","- C78 H50 Cl2 N4 O8 -","2","1","","Yang, Ren-Yin; Sun, Jing; Sun, Qiu; Yan, Chao Guo","Selective Construction of Polycyclic Spirooxindoles via Cu(OTf)2/HOTf-catalyzed Domino Reaction of o-Arylalkynylacetophenones and 3-Phenacylideneoxindoles","Org. Biomol. Chem.","2017","","","","","10.1039/C7OB01292F","","","0.71073","MoKα","","0.1642","0.0735","","","0.2187","0.2582","","","","","","1.081","","","","has coordinates","198452","2020-10-21","18:00:00",""
"7155748","10.794","0.013","12.84","0.016","13.826","0.017","68.88","0.03","77.77","0.03","89.02","0.03","1743","4","296","2","296","2","","","","","","","","5","P -1","-P 1","2","","","","- C41 H26 Cl5 N O3 -","- C41 H26 Cl5 N O3 -","- C82 H52 Cl10 N2 O6 -","2","1","","Yang, Ren-Yin; Sun, Jing; Sun, Qiu; Yan, Chao Guo","Selective Construction of Polycyclic Spirooxindoles via Cu(OTf)2/HOTf-catalyzed Domino Reaction of o-Arylalkynylacetophenones and 3-Phenacylideneoxindoles","Org. Biomol. Chem.","2017","","","","","10.1039/C7OB01292F","","","0.71073","MoKα","","0.2459","0.1424","","","0.316","0.3586","","","","","","1.031","","","","has coordinates","198452","2020-10-21","18:00:00",""
"7155749","22.5392","0.0013","7.9506","0.0005","23.0909","0.0009","90","","120.813","0.004","90","","3553.8","0.4","296","2","296","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C40 H26 N2 O4 -","- C40 H26 N2 O4 -","- C160 H104 N8 O16 -","4","1","","Yang, Ren-Yin; Sun, Jing; Sun, Qiu; Yan, Chao Guo","Selective Construction of Polycyclic Spirooxindoles via Cu(OTf)2/HOTf-catalyzed Domino Reaction of o-Arylalkynylacetophenones and 3-Phenacylideneoxindoles","Org. Biomol. Chem.","2017","","","","","10.1039/C7OB01292F","","","0.71073","MoKα","","0.1517","0.0833","","","0.2392","0.2685","","","","","","0.994","","","","has coordinates","198452","2020-10-21","18:00:00",""
"7155750","11.302","0.0007","12.3396","0.0007","13.4599","0.0008","64.567","0.002","87.281","0.002","78.153","0.002","1657.36","0.17","296","2","296","2","","","","","","","","4","P -1","-P 1","2","","","","- C41 H29 N O2 -","- C41 H29 N O2 -","- C82 H58 N2 O4 -","2","1","","Yang, Ren-Yin; Sun, Jing; Sun, Qiu; Yan, Chao Guo","Selective Construction of Polycyclic Spirooxindoles via Cu(OTf)2/HOTf-catalyzed Domino Reaction of o-Arylalkynylacetophenones and 3-Phenacylideneoxindoles","Org. Biomol. Chem.","2017","","","","","10.1039/C7OB01292F","","","0.71073","MoKα","","0.1334","0.0693","","","0.1948","0.2239","","","","","","1.065","","","","has coordinates","198452","2020-10-21","18:00:00",""
"7155751","5.6912","0.0004","25.2938","0.0019","11.9374","0.0009","90","","102.064","0.008","90","","1680.5","0.2","292.76","0.1","292.76","0.1","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C17 H14 F3 N3 O3 -","- C17 H14 F3 N3 O3 -","- C68 H56 F12 N12 O12 -","4","1","","Peng, Xiansha; Huang, Danfeng; Wang, Ke-Hu; Wang, Yalin; Wang, Juanjuan; Su, Yingpeng; Hu, Yulai","Synthesis of Trifluoromethylated Pyrazolidines by [3+2] Cycloaddition","Org. Biomol. Chem.","2017","","","","","10.1039/C7OB01299C","","","0.71073","MoKα","","0.122","0.0646","","","0.1172","0.1501","","","","","","1.068","","","","has coordinates","198453","2020-10-21","18:00:00",""
"7155752","9.9013","0.0007","9.9393","0.0008","21.0212","0.0016","80.533","0.007","87.495","0.006","89.524","0.006","2038.6","0.3","283","4","283","4","","","","","","","","4","P -1","-P 1","2","","","","- C10 H7 F3 N2 -","- C10 H7 F3 N2 -","- C80 H56 F24 N16 -","8","4","","Peng, Xiansha; Huang, Danfeng; Wang, Ke-Hu; Wang, Yalin; Wang, Juanjuan; Su, Yingpeng; Hu, Yulai","Synthesis of Trifluoromethylated Pyrazolidines by [3+2] Cycloaddition","Org. Biomol. Chem.","2017","","","","","10.1039/C7OB01299C","","","0.7107","MoKα","","0.1737","0.0977","","","0.2572","0.3188","","","","","","1.046","","","","has coordinates,has disorder","198453","2020-10-21","18:00:00",""
"7155753","8.3615","0.0014","8.679","0.0016","9.7121","0.0016","87.261","0.014","86.85","0.013","74.088","0.013","676.4","0.2","298","2","298","2","","","","","","","","5","P -1","-P 1","2","","","","- C15 H11 Br N2 O -","- C15 H11 Br N2 O -","- C30 H22 Br2 N4 O2 -","2","1","","Dabiri, Minoo; Farajinia Lehi, Noushin; Kazemi Movahed, Siyavash; Khavasi, Hamid Reza","Pd-catalyzed regioselective C-H halogenation of quinazolinones and benzoxazinones","Org. Biomol. Chem.","2017","","","","","10.1039/C7OB01534H","","","0.71073","MoKα","","0.0851","0.0776","","","0.1464","0.1702","","","","","","0.978","","","","has coordinates","198577","2020-10-21","18:00:00",""
"7155754","8.079","0.002","8.088","0.003","12.7","0.004","87.8","0.02","83.42","0.02","71.65","0.02","782.5","0.4","298","2","298","2","","","","","","","","5","P -1","-P 1","2","","","","- C16 H11 Cl2 N O4 -","- C16 H11 Cl2 N O4 -","- C32 H22 Cl4 N2 O8 -","2","1","","Dabiri, Minoo; Farajinia Lehi, Noushin; Kazemi Movahed, Siyavash; Khavasi, Hamid Reza","Pd-catalyzed regioselective C-H halogenation of quinazolinones and benzoxazinones","Org. Biomol. Chem.","2017","","","","","10.1039/C7OB01534H","","","0.71073","MoKα","","0.0895","0.0521","","","0.1512","0.1751","","","","","","1.1","","","","has coordinates","198577","2020-10-21","18:00:00",""
"7155755","5.095","0.001","6.1734","0.0013","6.2035","0.0014","90","","95.735","0.009","90","","194.14","0.07","150","","150","","","","","","","","synthesis as described","3","P 1 21/m 1","-P 2yb","11","","","","- C3 Br N -","- C3 Br N -","- C6 Br2 N2 -","2","0.5","","Ligny, Romain; Gauthier, Etienne S.; Yáñez, Manuel; Roisnel, Thierry; Guillemin, Jean-Claude; Trolez, Yann","One-step synthesis of conjugated enynenitriles from bromocyanoacetylene.","Organic & biomolecular chemistry","2017","","","","","10.1039/c6ob02590k","","x-ray","0.71073","MoKα","","0.03","0.0289","","","0.0711","0.0719","","","","","","1.217","","","","has coordinates","198578","2020-10-21","18:00:00",""
"7155756","15.4292","0.0014","15.571","0.0014","17.8509","0.0015","90","","90","","90","","4288.6","0.7","150","","150","","","","","","","","synthesis as described","4","P b c a","-P 2ac 2ab","61","","","","- C20 H36 N2 Si -","- C20 H36 N2 Si -","- C160 H288 N16 Si8 -","8","1","","Ligny, Romain; Gauthier, Etienne S.; Yáñez, Manuel; Roisnel, Thierry; Guillemin, Jean-Claude; Trolez, Yann","One-step synthesis of conjugated enynenitriles from bromocyanoacetylene.","Organic & biomolecular chemistry","2017","","","","","10.1039/c6ob02590k","","x-ray","0.71073","MoKα","","0.1021","0.0661","","","0.1644","0.1955","","","","","","1.027","","","","has coordinates","198578","2020-10-21","18:00:00",""
"7155757","8.2173","0.0005","10.0044","0.0006","11.8002","0.0007","103.879","0.002","107.903","0.002","97.302","0.001","874.73","0.09","296","2","296","2","","","","","","","","6","P 1","P 1","1","","","","- C17.5 H15 Cl N2 O4 S -","- C17.5 H15 Cl N2 O4 S -","- C35 H30 Cl2 N4 O8 S2 -","2","2","","Wang, Lei; Rahman, Abdul; Lin, Xufeng","Enantioselective synthesis of cyclic quaternary α-amino acid derivatives by chiral phosphoric acid catalysis.","Organic & biomolecular chemistry","2017","","","","","10.1039/c7ob01149k","","","0.71073","MoKα","","0.0835","0.0444","","","0.0881","0.1251","","","","","","1.003","","","","has coordinates","203412","2020-10-21","18:00:00",""
"7155758","17.132","0.003","13.827","0.003","5.5861","0.0011","90","","90","","90","","1323.3","0.5","100","2","100","2","","","","","","","","4","P c a 21","P 2c -2ac","29","","","","- C15 H14 N2 O3 -","- C15 H14 N2 O3 -","- C60 H56 N8 O12 -","4","1","","Zubkov, Fedor Ivanovich; Kvyatkovskaya, Elizaveta Alexandrovna; Nikitina, Eugeniya V.; Amoyaw, Prince; Kouznetsov, Vladimir; Lazarenko , Vladimir; Khrustalev, Victor N.","Comment on ""An unexpected formation of the novel 7-oxa-2azabicyclo[2.2.1]hept-5-ene skeleton during the reaction of furfurylamine with maleimides and their bioprospection using a zebrafish embryo model"" by C. E. Puerto Galvis and V. V. Kouznetsov, Org. Biomol. Chem., 2013, 11, 407","Org. Biomol. Chem.","2017","","","","","10.1039/C7OB01207A","","","0.9699","synchrotron","","0.127","0.089","","","0.207","0.23","","","","","","1.038","","","","has coordinates,has disorder","198621","2020-10-21","18:00:00",""
"7155759","17.231","0.003","14.729","0.003","5.6114","0.0011","90","","90","","90","","1424.1","0.5","100","2","100","2","","","","","","","","4","P c a 21","P 2c -2ac","29","","","","- C16 H16 N2 O3 -","- C16 H16 N2 O3 -","- C64 H64 N8 O12 -","4","1","","Zubkov, Fedor Ivanovich; Kvyatkovskaya, Elizaveta Alexandrovna; Nikitina, Eugeniya V.; Amoyaw, Prince; Kouznetsov, Vladimir; Lazarenko , Vladimir; Khrustalev, Victor N.","Comment on ""An unexpected formation of the novel 7-oxa-2azabicyclo[2.2.1]hept-5-ene skeleton during the reaction of furfurylamine with maleimides and their bioprospection using a zebrafish embryo model"" by C. E. Puerto Galvis and V. V. Kouznetsov, Org. Biomol. Chem., 2013, 11, 407","Org. Biomol. Chem.","2017","","","","","10.1039/C7OB01207A","","","0.9699","synchrotron","","0.1411","0.0792","","","0.1694","0.1934","","","","","","1.008","","","","has coordinates","198621","2020-10-21","18:00:00",""
"7155760","17.6741","0.0018","16.8387","0.0017","18.4813","0.0019","90","","90","","90","","5500.2","1","100","2","100","2","","","","","","","","6","P b c a","-P 2ac 2ab","61","","","","- C17 H39 F6 Ir O9 P4 -","- C17 H39 F6 Ir O9 P4 -","- C136 H312 F48 Ir8 O72 P32 -","8","1","","Moskovets, Alexey P.; Usanov, Dmitry; Afanasyev, Oleg I.; Fastovskiy, Vasilii A.; Molotkov, Alexander P.; Muratov, Karim M.; Denisov, Gleb L.; Zlotskii , Semen S.; Smol’yakov, Alexander F.; Loginov, Dmitry A.; Chusov, Denis","Reductive Amination Catalyzed by Iridium Complexes Using Carbon Monoxide as a Reducing Agent","Org. Biomol. Chem.","2017","","","","","10.1039/C7OB01005B","","","0.71073","MoKα","","0.0274","0.0227","","","0.0518","0.0545","","","","","","1.014","","","","has coordinates","198665","2020-10-21","18:00:00",""
"7155761","7.6783","0.0013","11.4349","0.0019","13.505","0.002","96.491","0.004","91.287","0.004","100.696","0.004","1156.5","0.3","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C29 H19 Cl2 N O2 -","- C29 H19 Cl2 N O2 -","- C58 H38 Cl4 N2 O4 -","2","1","","Zhao, Yu-Lei; Yuan, Yang; Xu, Murong; Zheng, Zhong; Zhang, Runhua; LI, Yanzhong","Selective synthesis of pyrrolo[1,2-a]azepines or 4,6-dicarbonyl indoles via tandem reactions of alkynones with pyrrole derivatives","Org. Biomol. Chem.","2017","","","","","10.1039/C7OB01516J","","","0.71073","MoKα","","0.0984","0.068","","","0.1458","0.1607","","","","","","1.085","","","","has coordinates","198716","2020-10-21","18:00:00",""
"7155762","26.413","0.004","8.3862","0.0013","12.2342","0.0018","90","","115.572","0.003","90","","2444.5","0.6","293","2","293","2","","","","","","","","5","C 1 2 1","C 2y","5","","","","- C29 H19 Cl2 N O2 -","- C29 H19 Cl2 N O2 -","- C116 H76 Cl8 N4 O8 -","4","1","","Zhao, Yu-Lei; Yuan, Yang; Xu, Murong; Zheng, Zhong; Zhang, Runhua; LI, Yanzhong","Selective synthesis of pyrrolo[1,2-a]azepines or 4,6-dicarbonyl indoles via tandem reactions of alkynones with pyrrole derivatives","Org. Biomol. Chem.","2017","","","","","10.1039/C7OB01516J","","","0.71073","MoKα","","0.0832","0.0555","","","0.1364","0.1542","","","","","","0.996","","","","has coordinates","198716","2020-10-21","18:00:00",""
"7155763","10.396","0.003","12.966","0.004","16.944","0.005","81.864","0.006","89.495","0.005","89.905","0.005","2260.9","1.2","296","","296","","","","","","","","","4","P -1","-P 1","2","","","","- C29 H22 N2 O3 -","- C29 H22 N2 O3 -","- C116 H88 N8 O12 -","4","2","","Zhao, Yu-Lei; Yuan, Yang; Xu, Murong; Zheng, Zhong; Zhang, Runhua; LI, Yanzhong","Selective synthesis of pyrrolo[1,2-a]azepines or 4,6-dicarbonyl indoles via tandem reactions of alkynones with pyrrole derivatives","Org. Biomol. Chem.","2017","","","","","10.1039/C7OB01516J","","","0.71073","MoKα","","0.1584","0.0724","","","0.1784","0.2253","","","","","","1.002","","","","has coordinates","198716","2020-10-21","18:00:00",""
"7155764","16.2793","0.0012","8.0744","0.0004","12.2026","0.0006","90","","110.362","0.007","90","","1503.75","0.17","100","2","100","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C13 H5 Br F8 N2 O -","- C13 H5 Br F8 N2 O -","- C52 H20 Br4 F32 N8 O4 -","4","1","","Mykhailiuk, Pavel K.","Heptafluoroisopropyl diazomethane (i-C3F7CHN2): in situ generation and synthesis of pyrazoles","Org. Biomol. Chem.","2017","","","","","10.1039/C7OB01579H","","","0.71073","MoKα","","0.1062","0.0626","","","0.1388","0.1628","","","","","","0.986","","","","has coordinates","198745","2020-10-21","18:00:00",""
"7155765","10.601","0.002","12.112","0.002","12.616","0.002","61.588","0.017","74.909","0.016","90.027","0.015","1360.8","0.5","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","","","- C13 H6 F8 N2 O -","- C13 H6 F8 N2 O -","- C52 H24 F32 N8 O4 -","4","2","","Mykhailiuk, Pavel K.","Heptafluoroisopropyl diazomethane (i-C3F7CHN2): in situ generation and synthesis of pyrazoles","Org. Biomol. Chem.","2017","","","","","10.1039/C7OB01579H","","","0.71073","MoKα","","0.1945","0.1166","","","0.2876","0.3496","","","","","","0.954","","","","has coordinates","198745","2020-10-21","18:00:00",""
"7155766","5.6579","0.0005","29.09","0.002","6.9744","0.0007","90","","110.142","0.01","90","","1077.7","0.18","100","2","100","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C8 H5 F7 N2 O2 -","- C8 H5 F7 N2 O2 -","- C32 H20 F28 N8 O8 -","4","1","","Mykhailiuk, Pavel K.","Heptafluoroisopropyl diazomethane (i-C3F7CHN2): in situ generation and synthesis of pyrazoles","Org. Biomol. Chem.","2017","","","","","10.1039/C7OB01579H","","","0.71073","MoKα","","0.1003","0.0594","","","0.1311","0.1533","","","","","","0.946","","","","has coordinates","198745","2020-10-21","18:00:00",""
"7155767","12.6081","0.0012","16.88","0.003","19.074","0.0016","68.673","0.013","90.021","0.008","89.803","0.011","3781.4","0.9","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","","","- C11 H9 F7 N2 O -","- C11 H9 F7 N2 O -","- C132 H108 F84 N24 O12 -","12","6","","Mykhailiuk, Pavel K.","Heptafluoroisopropyl diazomethane (i-C3F7CHN2): in situ generation and synthesis of pyrazoles","Org. Biomol. Chem.","2017","","","","","10.1039/C7OB01579H","","","0.71073","MoKα","","0.205","0.1201","","","0.276","0.3391","","","","","","1.003","","","","has coordinates","198745","2020-10-21","18:00:00",""
"7155768","14.9885","0.0002","14.9885","0.0002","20.7329","0.0007","90","","90","","90","","4657.75","0.18","100","2","100","2","","","","","","","","5","P 43","P 4cw","78","","","","- C9 H8 F7 N3 O -","- C9 H8 F7 N3 O -","- C144 H128 F112 N48 O16 -","16","4","","Mykhailiuk, Pavel K.","Heptafluoroisopropyl diazomethane (i-C3F7CHN2): in situ generation and synthesis of pyrazoles","Org. Biomol. Chem.","2017","","","","","10.1039/C7OB01579H","","","0.71073","MoKα","","0.1194","0.0739","","","0.1619","0.188","","","","","","0.986","","","","has coordinates","198745","2020-10-21","18:00:00",""
"7155769","9.3738","0.0014","12.4038","0.0013","14.0939","0.0014","104.197","0.009","90.841","0.011","101.985","0.011","1550.3","0.3","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C14 H9 F7 N2 O -","- C14 H9 F7 N2 O -","- C56 H36 F28 N8 O4 -","4","2","","Mykhailiuk, Pavel K.","Heptafluoroisopropyl diazomethane (i-C3F7CHN2): in situ generation and synthesis of pyrazoles","Org. Biomol. Chem.","2017","","","","","10.1039/C7OB01579H","","","0.71073","MoKα","","0.2191","0.0701","","","0.1765","0.241","","","","","","0.819","","","","has coordinates","198745","2020-10-21","18:00:00",""
"7155770","11.7601","0.0006","10.6895","0.0004","11.2243","0.0007","90","","110.252","0.006","90","","1323.77","0.13","100","2","100","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C11 H11 F7 N2 O -","- C11 H11 F7 N2 O -","- C44 H44 F28 N8 O4 -","4","1","","Mykhailiuk, Pavel K.","Heptafluoroisopropyl diazomethane (i-C3F7CHN2): in situ generation and synthesis of pyrazoles","Org. Biomol. Chem.","2017","","","","","10.1039/C7OB01579H","","","0.71073","MoKα","","0.0848","0.048","","","0.1151","0.1346","","","","","","0.942","","","","has coordinates","198745","2020-10-21","18:00:00",""
"7155771","27.56","0.004","30.44","0.004","9.2142","0.0014","90","","90","","90","","7730","1.9","293","2","293","2","","","","","","","see text","5","F d d 2","F 2 -2d","43","","","","- C20 H19 N2 O5 P -","- C20 H19 N2 O5 P -","- C320 H304 N32 O80 P16 -","16","1","","Gupta, Ashis Kumar; Vaishanv, Narendra Kumar; Kant, Ruchir; Mohanan, Kishor","Rapid and selective synthesis of spiropyrazolines and pyrazolylphthalides employing Seyferth-Gilbert reagent","Org. Biomol. Chem.","2017","","","","","10.1039/C7OB01417A","","","0.71075","MoKα","","0.1161","0.1147","","","0.2605","0.2633","","","","","","1.173","","","","has coordinates","211179","2020-10-21","18:00:00",""
"7155772","8.4669","0.0013","13.109","0.002","19.934","0.003","90","","107.975","0.005","90","","2104.5","0.6","293","2","293","2","","","","","","","see text","5","P 1 21/c 1","-P 2ybc","14","","","","- C21 H21 N2 O7 P -","- C21 H21 N2 O7 P -","- C84 H84 N8 O28 P4 -","4","1","","Gupta, Ashis Kumar; Vaishanv, Narendra Kumar; Kant, Ruchir; Mohanan, Kishor","Rapid and selective synthesis of spiropyrazolines and pyrazolylphthalides employing Seyferth-Gilbert reagent","Org. Biomol. Chem.","2017","","","","","10.1039/C7OB01417A","","","0.71075","MoKα","","0.0517","0.0444","","","0.1253","0.1293","","","","","","1.002","","","","has coordinates","211179","2020-10-21","18:00:00",""
"7155773","3.828","0.0002","13.3111","0.0011","25.038","0.002","90","","90.919","0.001","90","","1275.64","0.16","298","2","298","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C16 H8 Cl N O2 S -","- C16 H8 Cl N O2 S -","- C64 H32 Cl4 N4 O8 S4 -","4","1","","Jiang, Bo; Fan, Wei; Chen, KuongYuen; Chen, Qi-Peng; Li, Guigen","Facile synthesis of benzo[b]thiophenes via metal-free radical-triggered intramolecular C-S bond formation","Org. Biomol. Chem.","2017","","","","","10.1039/C7OB01515A","","","0.71073","MoKα","","0.1888","0.1126","","","0.2226","0.2492","","","","","","1.106","","","","has coordinates","198780","2020-10-21","18:00:00",""
"7155774","9.134","0.0003","10.0111","0.0004","11.6697","0.0004","66.936","0.002","86.111","0.002","76.562","0.002","954.6","0.06","301","2","301","2","","","","","","","","5","P -1","-P 1","2","","","","- C22 H21 Br N2 O2 -","- C22 H21 Br N2 O2 -","- C44 H42 Br2 N4 O4 -","2","1","","Li, Jianjun; Fu, Yiwei; Qin, Cong; Yu, Yang; Li, Hao; Wang, Wei","Asymmetric Synthesis of Isoquinolinonaphthyridines Catalyzed by a Chiral Brønsted Acid","Org. Biomol. Chem.","2017","","","","","10.1039/C7OB01527E","","","1.54178","CuKα","","0.0638","0.0451","","","0.1112","0.1247","","","","","","1.006","","","","has coordinates","198819","2020-10-21","18:00:00",""
"7155775","6.9865","0.0017","8.511","0.002","11.9757","0.0018","88.053","0.017","77.077","0.018","84.5","0.02","690.8","0.3","293","2","293","2","","","","","","","","3","P -1","-P 1","2","","","","- C17 H13 O4 -","- C17 H13 O4 -","- C34 H26 O8 -","2","1","","Han, Bo; Peng, Cheng; Wang, Biao; Huang, Wei; Zhou, Jin; Tang, Xue; Chen, Yang","Drug design based on pentaerythritol tetranitrate reductase: synthesis and antibacterial activity of Pogostone derivatives","Org. Biomol. Chem.","2017","","","","","10.1039/C7OB01429E","","","1.54184","CuKα","","0.1344","0.0755","","","0.2063","0.2777","","","","","","0.962","","","","has coordinates","198820","2020-10-21","18:00:00",""
"7155776","7.6999","0.0003","11.1232","0.0005","18.8431","0.0009","99.119","0.002","96.526","0.002","94.243","0.002","1576.17","0.12","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","","","- C17 H23 F N O4.5 -","- C17 H23 F N O4.5 -","- C68 H92 F4 N4 O18 -","4","2","","Liu, Yi; Yeung, Ying-Yeung","Ring Strain-Dictated Divergent Fluorinating Prins Cyclization or Semipinacol Rearrangement","Org. Biomol. Chem.","2017","","","","","10.1039/C7OB01567D","","","0.71073","MoKα","","0.1141","0.0765","","","0.2009","0.225","","","","","","1.029","","","","has coordinates","198821","2020-10-21","18:00:00",""
"7155777","13.727","0.0003","13.727","0.0003","10.9453","0.0003","90","","90","","90","","2062.43","0.09","100","2","100","2","","","","","","","","4","P 43","P 4cw","78","","","","- C24 H27 N3 O2 -","- C24 H27 N3 O2 -","- C96 H108 N12 O8 -","4","1","","Wuensch, Bernhard; Wittig, Christian; Schepmann, Dirk; Soeberdt, Michael; Daniliuc, Constantin Gabriel","Stereoselective synthesis of conformationally restricted KOR agonists based on the 2,5-diazabicyclo[2.2.2]octane scaffold","Org. Biomol. Chem.","2017","","","","","10.1039/C7OB01530E","","","1.54178","CuKα","","0.0267","0.026","","","0.0636","0.0643","","","","","","1.103","","","","has coordinates","198822","2020-10-21","18:00:00",""
"7155778","24.6806","0.0006","6.2455","0.0002","16.1174","0.0004","90","","93.541","0.001","90","","2479.64","0.12","100","2","100","2","","","","","","","","5","P 1 2/c 1","-P 2yc","13","","","","- C26 H27 Cl4 N3 O2 -","- C26 H27 Cl4 N3 O2 -","- C104 H108 Cl16 N12 O8 -","4","1","","Wuensch, Bernhard; Wittig, Christian; Schepmann, Dirk; Soeberdt, Michael; Daniliuc, Constantin Gabriel","Stereoselective synthesis of conformationally restricted KOR agonists based on the 2,5-diazabicyclo[2.2.2]octane scaffold","Org. Biomol. Chem.","2017","","","","","10.1039/C7OB01530E","","","1.54178","CuKα","","0.0793","0.0551","","","0.1299","0.1425","","","","","","1.055","","","","has coordinates","198822","2020-10-21","18:00:00",""
"7155779","8.269","0.005","16.049","0.005","18.529","0.005","90","0.005","90","0.005","90","0.005","2459","1.8","150","2","150","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C28 H26 Cl N O3 Se -","- C28 H26 Cl N O3 Se -","- C112 H104 Cl4 N4 O12 Se4 -","4","1","","Singha Roy, Soumya Jyoti; Mukherjee, Santanu","“On water” catalytic enantioselective sulfenylation of deconjugated butyrolactams","Org. Biomol. Chem.","2017","","","","","10.1039/C7OB01714F","","","0.71073","MoKα","","0.0328","0.0263","","","0.0649","0.0751","","","","","","1.124","","","","has coordinates","198823","2020-10-21","18:00:00",""
"7155780","8.373","0.004","11.816","0.005","25.567","0.012","90","","90","","90","","2529","2","140","2","140","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C28 H26 Cl N O3 S -","- C28 H26 Cl N O3 S -","- C112 H104 Cl4 N4 O12 S4 -","4","1","","Singha Roy, Soumya Jyoti; Mukherjee, Santanu","“On water” catalytic enantioselective sulfenylation of deconjugated butyrolactams","Org. Biomol. Chem.","2017","","","","","10.1039/C7OB01714F","","","0.71073","MoKα","","0.0988","0.0475","","","0.0803","0.0939","","","","","","1.023","","","","has coordinates","198823","2020-10-21","18:00:00",""
"7155781","13.4035","0.0011","28.882","0.002","5.1236","0.0004","90","","90","","90","","1983.4","0.3","150","2","150","2","","","","","","","","5","P 21 21 2","P 2 2ab","18","","2014/7","","- C22 H22 Cl N O4 -","- C22 H22 Cl N O4 -","- C88 H88 Cl4 N4 O16 -","4","1","","Singha Roy, Soumya Jyoti; Mukherjee, Santanu","“On water” catalytic enantioselective sulfenylation of deconjugated butyrolactams","Org. Biomol. Chem.","2017","","","","","10.1039/C7OB01714F","","","0.71073","MoKα","","0.04","0.0311","","","0.0752","0.0793","","","","","","0.925","","","","has coordinates","198823","2020-10-21","18:00:00",""
"7155782","19.703","0.002","8.2643","0.0005","23.1696","0.0019","90","","90","","90","","3772.7","0.5","150","2","150","2","","","","","","","","3","P b c a","-P 2ac 2ab","61","","","","- C25 H24 O -","- C25 H24 O -","- C200 H192 O8 -","8","1","","Saunthwal, Rakesh K.; Danodia, abhinandan K.; Saini, Kapil Mohan; Verma, Akhilesh K.","Ag(I)-Catalyzed Cycloisomerization Reactions: Synthesis of Substituted Phenanthrenes and Naphthothiophenes","Org. Biomol. Chem.","2017","","","","","10.1039/C7OB01646H","","","0.71073","MoKα","","0.1223","0.0969","","","0.2312","0.2465","","","","","","1.096","","","","has coordinates","199035","2020-10-21","18:00:00",""
"7155783","10.1389","0.0013","10.283","0.0013","19.617","0.003","79.125","0.006","89.681","0.006","62.353","0.004","1771.3","0.4","293","2","293","2","","","","","","","synthesis as described","5","P 1","P 1","1","","2e-BPh4","","- C42 H46 B N O2 -","- C42 H46 B N O2 -","- C84 H92 B2 N2 O4 -","2","2","","Tayama, Eiji; Watanabe, Kazutoshi; Sotome, Sho","Structural and mechanistic studies of the base-induced Sommelet‒Hauser rearrangement of N-α-branched benzylic azetidine-2-carboxylic acid-derived ammonium salts","Org. Biomol. Chem.","2017","","","","","10.1039/C7OB01391D","","x-ray","0.71073","MoKα","","0.0835","0.0552","","","0.1118","0.1265","","","","","","1.063","","","","has coordinates","211332","2020-10-21","18:00:00",""
"7155784","13.4025","0.001","15.8388","0.0012","16.5989","0.0013","90","","90","","90","","3523.6","0.5","293","2","293","2","","","","","","","synthesis as described","5","P 21 21 21","P 2ac 2ab","19","","2a-BPh4","","- C41 H46 B N O2 -","- C41 H46 B N O2 -","- C164 H184 B4 N4 O8 -","4","1","","Tayama, Eiji; Watanabe, Kazutoshi; Sotome, Sho","Structural and mechanistic studies of the base-induced Sommelet‒Hauser rearrangement of N-α-branched benzylic azetidine-2-carboxylic acid-derived ammonium salts","Org. Biomol. Chem.","2017","","","","","10.1039/C7OB01391D","","x-ray","0.71073","MoKα","","0.0805","0.0442","","","0.0939","0.1085","","","","","","1.014","","","","has coordinates","199036","2020-10-21","18:00:00",""
"7155785","13.0145","0.0003","7.79931","0.00017","10.8094","0.0003","90","","90","","90","","1097.2","0.05","150","2","150","0.1","","","","","","","","4","P n a 21","P 2c -2n","33","","Dimethyl (r,s)-1-acetylpyrrolidine-2,5-dicarboxylate","","- C10 H15 N O5 -","- C10 H15 N O5 -","- C40 H60 N4 O20 -","4","1","","Kubyshkin, Vladimir; Budisa, Nediljko","Amide rotation trajectories probed by symmetry","Org. Biomol. Chem.","2017","","","","","10.1039/C7OB01421J","","x-ray","1.54184","CuKα","","0.0269","0.0257","","","0.0626","0.0632","","","","","","1.019","","","","has coordinates","199037","2020-10-21","18:00:00",""
"7155786","7.8936","0.0002","13.18","0.0003","11.2852","0.0003","90","","104.484","0.003","90","","1136.77","0.05","150","2","150","0.1","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","Dimethyl (r,r)-1-acetylpyrrolidine-2,5-dicarboxylate","","- C10 H15 N O5 -","- C10 H15 N O5 -","- C40 H60 N4 O20 -","4","1","","Kubyshkin, Vladimir; Budisa, Nediljko","Amide rotation trajectories probed by symmetry","Org. Biomol. Chem.","2017","","","","","10.1039/C7OB01421J","","x-ray","1.54184","CuKα","","0.0365","0.0346","","","0.0873","0.0887","","","","","","1.04","","","","has coordinates","199037","2020-10-21","18:00:00",""
"7155787","7.5463","0.001","21.489","0.003","12.4234","0.0017","90","","105.179","0.002","90","","1944.3","0.5","294","2","294","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C25 H18 O5 -","- C25 H18 O5 -","- C100 H72 O20 -","4","1","","Tangella, Yellaiah; Kesari, Manasa Lakshmi; V, Lakshma Nayak; Manda, Sathish; Balasubramanian, Sridhar; Alarifi, Abd-Allah; Nagesh, Narayana; Kamal, Ahmed","An efficient one-pot approach for the regio and diastereoselective synthesis of trans-dihydrofuran derivatives: Cytotoxicity and DNA-binding studies","Org. Biomol. Chem.","2017","","","","","10.1039/C7OB01456B","","","0.71073","MoKα","","0.0549","0.047","","","0.1267","0.134","","","","","","1.033","","","","has coordinates","199339","2020-10-21","18:00:00",""
"7155788","7.2467","0.0005","10.8572","0.0007","13.9575","0.0009","106.546","0.002","90.819","0.002","107.578","0.002","997.47","0.12","293","2","293","2","","","","","","","","4","P -1","-P 1","2","","","","- C25 H22 N2 O2 -","- C25 H22 N2 O2 -","- C50 H44 N4 O4 -","2","1","","Kayet, Anirban; Singh, Vinod","A one-pot synthesis of 2,2’-disubstituted diindolylmethanes (DIMs) via a sequential Sonogashira coupling and cycloisomerization/C3-functionalization of 2-iodolanilines","Org. Biomol. Chem.","2017","","","","","10.1039/C7OB01701D","","","0.71073","MoKα","","0.0613","0.0433","","","0.0928","0.1005","","","","","","1.078","","","","has coordinates","199382","2020-10-21","18:00:00",""
"7155789","4.9045","0.0004","10.4027","0.001","12.0076","0.001","83.328","0.004","80.762","0.006","89.239","0.006","600.58","0.09","296","2","296.15","","","","","","","","","4","P -1","-P 1","2","","","","- C12 H13 N O4 -","- C12 H13 N O4 -","- C24 H26 N2 O8 -","2","1","","Lv, Honggui; Shi, Jingjing; Huang, Junjun; Zhang, Chao; yi, wei","Rhodium(III)-catalyzed and MeOH-involved regioselective mono-alkenylation of N-arylureas with acrylates","Org. Biomol. Chem.","2017","","","","","10.1039/C7OB01627A","","","0.71073","MoKα","","0.106","0.0812","","","0.2603","0.2765","","","","","","1.072","","","","has coordinates","199430","2020-10-21","18:00:00",""
"7155790","8.3587","0.0003","16.6395","0.0005","17.2793","0.0006","97.127","0.002","98.68","0.002","103.468","0.002","2278.52","0.14","100","","100","","","","","","","","","6","P -1","-P 1","2","","","","- C48 H58 B2 N2 S2 Si2 -","- C48 H58 B2 N2 S2 Si2 -","- C96 H116 B4 N4 S4 Si4 -","2","1","","Zhang, Wanzheng; Fu, Yubin; Qiang, Peirong; Hunger, Jens; Bi, Shuai; Zhang, Wen-Bei; Zhang, Fan","Syn-BN-Heteroacence Cored Conjugated Oligomers with Finely Tuned Blue-Violet Luminescent Properties","Org. Biomol. Chem.","2017","","","","","10.1039/C7OB01679D","","x-ray","0.71073","MoKα","","0.0628","0.0449","","","0.1107","0.1202","","","","","","1.032","","","","has coordinates,has disorder","199493","2020-10-21","18:00:00",""
"7155791","10.523","0.003","11.578","0.003","12.402","0.006","97.23","0.011","102.026","0.015","100.544","0.003","1431.6","0.9","93","2","93","2","","","","","","","","6","P -1","-P 1","2","","","","- C36 H23 B Cl2 N2 S -","- C36 H23 B Cl2 N2 S -","- C72 H46 B2 Cl4 N4 S2 -","2","1","","Maeda, Chihiro; Nagahata, Keiji; Ema, Tadashi","Carbazole-based BODIPYs with ethynyl substituents at the boron center: solid-state excimer fluorescence in the VIS/NIR region","Org. Biomol. Chem.","2017","","","","","10.1039/C7OB01473B","","","1.54187","CuKα","","0.0369","0.0351","","","0.0915","0.0929","","","","","","1.051","","","","has coordinates","199510","2020-10-21","18:00:00",""
"7155792","10.337","0.002","25.595","0.005","14.097","0.003","90","","97.574","0.005","90","","3697.2","1.3","93","2","93","2","","","","","","","","5","P 1 21/a 1","-P 2yab","14","","","","- C45 H51 B N2 S -","- C45 H51 B N2 S -","- C180 H204 B4 N8 S4 -","4","1","","Maeda, Chihiro; Nagahata, Keiji; Ema, Tadashi","Carbazole-based BODIPYs with ethynyl substituents at the boron center: solid-state excimer fluorescence in the VIS/NIR region","Org. Biomol. Chem.","2017","","","","","10.1039/C7OB01473B","","","1.54187","CuKα","","0.0689","0.0568","","","0.1486","0.1593","","","","","","1.048","","","","has coordinates","199510","2020-10-21","18:00:00",""
"7155793","11.733","0.003","9.921","0.002","21.775","0.005","90","","94.847","0.009","90","","2525.6","1","93","2","93","2","","","","","","","","5","P 1 21/a 1","-P 2yab","14","","","","- C29 H27 B N4 S -","- C29 H27 B N4 S -","- C116 H108 B4 N16 S4 -","4","1","","Maeda, Chihiro; Nagahata, Keiji; Ema, Tadashi","Carbazole-based BODIPYs with ethynyl substituents at the boron center: solid-state excimer fluorescence in the VIS/NIR region","Org. Biomol. Chem.","2017","","","","","10.1039/C7OB01473B","","","1.54187","CuKα","","0.0386","0.0348","","","0.0973","0.0997","","","","","","1.041","","","","has coordinates","199510","2020-10-21","18:00:00",""
"7155794","12.213","0.004","13.215","0.007","13.236","0.009","119.751","0.018","96.382","0.014","91.1942","0.0013","1836","1.7","93","2","93","2","","","","","","","","6","P -1","-P 1","2","","","","- C44 H39 B Cl2 N2 S -","- C44 H39 B Cl2 N2 S -","- C88 H78 B2 Cl4 N4 S2 -","2","1","","Maeda, Chihiro; Nagahata, Keiji; Ema, Tadashi","Carbazole-based BODIPYs with ethynyl substituents at the boron center: solid-state excimer fluorescence in the VIS/NIR region","Org. Biomol. Chem.","2017","","","","","10.1039/C7OB01473B","","","1.54187","CuKα","","0.0518","0.0451","","","0.1229","0.1261","","","","","","1.056","","","","has coordinates","199510","2020-10-21","18:00:00",""
"7155795","11.908","0.004","13.971","0.006","17.856","0.007","100.643","0.012","92.2079","0.001","92.499","0.016","2913","2","93","2","93","2","","","","","","","","6","P -1","-P 1","2","","","","- C65 H63 B Cl6 N2 S -","- C65 H63 B Cl6 N2 S -","- C130 H126 B2 Cl12 N4 S2 -","2","1","","Maeda, Chihiro; Nagahata, Keiji; Ema, Tadashi","Carbazole-based BODIPYs with ethynyl substituents at the boron center: solid-state excimer fluorescence in the VIS/NIR region","Org. Biomol. Chem.","2017","","","","","10.1039/C7OB01473B","","","1.54187","CuKα","","0.0995","0.0619","","","0.1573","0.1859","","","","","","1.009","","","","has coordinates,has disorder","199510","2020-10-21","18:00:00",""
"7155796","11.071","0.003","12.31","0.004","15.729","0.005","99.083","0.014","96.913","0.009","99.963","0.009","2060.6","1.1","93","2","93","2","","","","","","","","6","P -1","-P 1","2","","","","- C54 H41 B N2 O S -","- C54 H41 B N2 O S -","- C108 H82 B2 N4 O2 S2 -","2","1","","Maeda, Chihiro; Nagahata, Keiji; Ema, Tadashi","Carbazole-based BODIPYs with ethynyl substituents at the boron center: solid-state excimer fluorescence in the VIS/NIR region","Org. Biomol. Chem.","2017","","","","","10.1039/C7OB01473B","","","1.54187","CuKα","","0.0708","0.0649","","","0.1748","0.1792","","","","","","1.074","","","","has coordinates,has disorder","199510","2020-10-21","18:00:00",""
"7155797","9.83","0.0005","10.1369","0.0004","12.4497","0.0005","90","","95.021","0.002","90","","1235.8","0.09","150","","150.01","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C16 H13 N O2 -","- C16 H13 N O2 -","- C64 H52 N4 O8 -","4","1","","Cheng, Yuyu; Zhang, Pengfei; Jia, Yanwen; Fang, Zhiqiang; Li, Pengfei","Organocatalytic condensation‒ring opening‒annulation cascade reactions between N-Bocindolin-2-ones/benzofuran-2(3H)-ones and salicylaldehydes for synthesis of 3-arylcoumarins","Org. Biomol. Chem.","2017","","","","","10.1039/C7OB01730H","","x-ray","0.71073","MoKα","","0.0516","0.0409","","","0.0997","0.106","","","","","","1.059","","","","has coordinates","199511","2020-10-21","18:00:00",""
"7155798","5.8423","0.0006","10.7141","0.001","17.775","0.0018","90","","90","","90","","1112.63","0.19","150.35","","150.35","","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C15 H10 O3 -","- C15 H10 O3 -","- C60 H40 O12 -","4","1","","Cheng, Yuyu; Zhang, Pengfei; Jia, Yanwen; Fang, Zhiqiang; Li, Pengfei","Organocatalytic condensation‒ring opening‒annulation cascade reactions between N-Bocindolin-2-ones/benzofuran-2(3H)-ones and salicylaldehydes for synthesis of 3-arylcoumarins","Org. Biomol. Chem.","2017","","","","","10.1039/C7OB01730H","","x-ray","0.71073","MoKα","","0.0483","0.0412","","","0.099","0.1029","","","","","","1.05","","","","has coordinates","199511","2020-10-21","18:00:00",""
"7155799","11.3554","0.0005","9.9923","0.0004","15.6896","0.0008","90","","105.418","0.002","90","","1716.18","0.14","173","","173","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C20 H19 N O4 -","- C20 H19 N O4 -","- C80 H76 N4 O16 -","4","1","","Cheng, Yuyu; Zhang, Pengfei; Jia, Yanwen; Fang, Zhiqiang; Li, Pengfei","Organocatalytic condensation‒ring opening‒annulation cascade reactions between N-Bocindolin-2-ones/benzofuran-2(3H)-ones and salicylaldehydes for synthesis of 3-arylcoumarins","Org. Biomol. Chem.","2017","","","","","10.1039/C7OB01730H","","","0.71073","MoKα","","0.058","0.0436","","","0.1054","0.1134","","","","","","1.015","","","","has coordinates","199511","2020-10-21","18:00:00",""
"7155800","9.676","0.005","12.483","0.006","11.857","0.006","90","","98.414","0.016","90","","1416.7","1.2","296","2","296","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C14 H11 Cl N4 O S -","- C14 H11 Cl N4 O S -","- C56 H44 Cl4 N16 O4 S4 -","4","1","","Das, Asish R.; Mukherjee, Prasun","One-flask synthesis of pyrazolone thioethers involving catalyzed and uncatalyzed thioetherification pathways of pyrazolones","Org. Biomol. Chem.","2017","","","","","10.1039/C7OB01754E","","","0.71073","MoKα","","0.0818","0.0442","","","0.1182","0.1393","","","","","","0.97","","","","has coordinates","199660","2020-10-21","18:00:00",""
"7155801","42.263","0.006","5.9743","0.0008","11.7282","0.0016","90","","91.856","0.005","90","","2959.7","0.7","296","2","296","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C16 H13 Cl N2 O S -","- C16 H13 Cl N2 O S -","- C128 H104 Cl8 N16 O8 S8 -","8","1","","Das, Asish R.; Mukherjee, Prasun","One-flask synthesis of pyrazolone thioethers involving catalyzed and uncatalyzed thioetherification pathways of pyrazolones","Org. Biomol. Chem.","2017","","","","","10.1039/C7OB01754E","","","0.71073","MoKα","","0.0722","0.0472","","","0.1303","0.1479","","","","","","0.997","","","","has coordinates","199660","2020-10-21","18:00:00",""
"7155802","8.764","0.0008","10.011","0.0008","11.2134","0.001","99.004","0.004","91.663","0.005","98.87","0.004","958.65","0.15","296","2","296","2","","","","","","","","5","P -1","-P 1","2","","triphenylsulfonium trifluoromethanesulfonate","","- C19 H15 F3 O3 S2 -","- C19 H15 F3 O3 S2 -","- C38 H30 F6 O6 S4 -","2","1","","Zhang, Lei; Li, Xiaojin; Sun, Yan; Zhao, Weizhao; Luo, Fan; Huang, Xin; Lin, Lihui; Yang, Ying; Peng, Bo","Mild Synthesis of Triarylsulfonium Salts with Arynes","Org. Biomol. Chem.","2017","","","","","10.1039/C7OB01596H","","","0.71073","MoKα","","0.1572","0.1377","","","0.4083","0.4205","","","","","","3.083","","","","has coordinates","199661","2020-10-21","18:00:00",""
"7155803","8.9672","0.0003","22.0738","0.0006","11.2978","0.0003","90","","99.418","0.002","90","","2206.15","0.11","296","2","296","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","bis(4-methoxyphenyl)(phenyl)sulfonium trifluoromethanesulfonate","","- C21 H19 F3 O5 S2 -","- C21 H19 F3 O5 S2 -","- C84 H76 F12 O20 S8 -","4","1","","Zhang, Lei; Li, Xiaojin; Sun, Yan; Zhao, Weizhao; Luo, Fan; Huang, Xin; Lin, Lihui; Yang, Ying; Peng, Bo","Mild Synthesis of Triarylsulfonium Salts with Arynes","Org. Biomol. Chem.","2017","","","","","10.1039/C7OB01596H","","","0.71073","MoKα","","0.1481","0.1026","","","0.3042","0.3336","","","","","","2.152","","","","has coordinates","199661","2020-10-21","18:00:00",""
"7155804","17.208","0.0008","5.9717","0.0002","9.2902","0.0004","90","","90","","90","","954.67","0.07","173","2","173","2","","","","","","","","5","P c a 21","P 2c -2ac","29","","glyzide diazaborine","","- C9 H10 B N3 O2 -","- C9 H10 B N3 O2 -","- C36 H40 B4 N12 O8 -","4","1","","Gu, Han; Chio, Tak Ian; Lei, Zhen; Staples, Richard J.; Hirschi, Jennifer S.; Bane, Susan","Formation of hydrazones and stabilized boron-nitrogen heterocycles in aqueous solution from carbohydrazides and ortho-formylphenylboronic acids","Org. Biomol. Chem.","2017","","","","","10.1039/C7OB01708A","","","1.54178","CuKα","","0.0842","0.0747","","","0.1696","0.1781","","","","","","1.073","","","","has coordinates","199662","2020-10-21","18:00:00",""
"7155805","8.5138","0.0009","5.9254","0.0006","10.259","0.0011","90","","105.511","0.0011","90","","498.69","0.09","173","2","173","2","","","","","","","","5","P 1 c 1","P -2yc","7","","glyzide acetyl diazaborine","","- C10 H12 B N3 O2 -","- C10 H12 B N3 O2 -","- C20 H24 B2 N6 O4 -","2","1","","Gu, Han; Chio, Tak Ian; Lei, Zhen; Staples, Richard J.; Hirschi, Jennifer S.; Bane, Susan","Formation of hydrazones and stabilized boron-nitrogen heterocycles in aqueous solution from carbohydrazides and ortho-formylphenylboronic acids","Org. Biomol. Chem.","2017","","","","","10.1039/C7OB01708A","","","0.71073","MoKα","","0.032","0.0296","","","0.0697","0.0723","","","","","","1.033","","","","has coordinates,has disorder","199662","2020-10-21","18:00:00",""
"7155806","7.6716","0.0001","11.0843","0.0001","12.4325","0.0002","103.941","0.001","97.63","","109.88","","937.83","0.02","173","2","173","2","","","","","","","","5","P -1","-P 1","2","","propazide diazaborine","","- C20 H20 B2 N4 O3 -","- C20 H20 B2 N4 O3 -","- C40 H40 B4 N8 O6 -","2","1","","Gu, Han; Chio, Tak Ian; Lei, Zhen; Staples, Richard J.; Hirschi, Jennifer S.; Bane, Susan","Formation of hydrazones and stabilized boron-nitrogen heterocycles in aqueous solution from carbohydrazides and ortho-formylphenylboronic acids","Org. Biomol. Chem.","2017","","","","","10.1039/C7OB01708A","","","1.54178","CuKα","","0.039","0.0379","","","0.1018","0.1028","","","","","","1.039","","","","has coordinates","199662","2020-10-21","18:00:00",""
"7155807","7.3575","0.0001","8.0557","0.0001","15.1438","0.0002","95.913","0.001","94.559","0.001","110.014","0.001","832.53","0.02","173","2","173","2","","","","","","","","5","P -1","-P 1","2","","acetyl diazaborine","","- C18 H16 B2 N4 O3 -","- C18 H16 B2 N4 O3 -","- C36 H32 B4 N8 O6 -","2","1","","Gu, Han; Chio, Tak Ian; Lei, Zhen; Staples, Richard J.; Hirschi, Jennifer S.; Bane, Susan","Formation of hydrazones and stabilized boron-nitrogen heterocycles in aqueous solution from carbohydrazides and ortho-formylphenylboronic acids","Org. Biomol. Chem.","2017","","","","","10.1039/C7OB01708A","","","1.54178","CuKα","","0.0357","0.0347","","","0.0923","0.0933","","","","","","1.03","","","","has coordinates","199662","2020-10-21","18:00:00",""
"7155808","11.27","0.002","7.571","0.0015","13.366","0.003","90","","109.99","0.03","90","","1071.7","0.4","293","2","293","2","","","","","","","","7","P 1 21 1","P 2yb","4","","","","- C22 H19 F I N O2 S -","- C22 H19 F I N O2 S -","- C44 H38 F2 I2 N2 O4 S2 -","2","1","","Xi, Yang; Zhu, Guohao; Tang, Luning; Ma, shihan; Zhang, Dongming; Zhang, Rong; He, Guangke; Zhu, Hongjun","Highly regio- and stereoselective trans-iodofluorination of ynamides enabling the synthesis of (E)-α-fluoro-β-iodoenamides","Org. Biomol. Chem.","2017","","","","","10.1039/C7OB01470H","","","0.71073","MoKα","","0.069","0.0521","","","0.1334","0.1454","","","","","","1.003","","","","has coordinates","199692","2020-10-21","18:00:00",""
"7155809","7.418","0.0001","7.5529","0.0001","10.9647","0.0002","80.836","0.001","86.503","0.001","84.074","0.001","602.621","0.016","296","2","296","2","","","","","","","","4","P -1","-P 1","2","","","","- C16 H11 N O2 -","- C16 H11 N O2 -","- C32 H22 N2 O4 -","2","1","","Nallagonda, Rajender; Reddy, Reddy Rajasekhar; Ghorai, Prasanta","Nitrile-Assisted Oxidation over Oxidative-Annulation: Pd-Catalyzed α,β-Dehydrogenation of α-Cinnamyl β-Keto Nitriles","Org. Biomol. Chem.","2017","","","","","10.1039/C7OB00912G","","","0.71073","MoKα","","0.0488","0.043","","","0.1418","0.1481","","","","","","1.147","","","","has coordinates","199693","2020-10-21","18:00:00",""
"7155810","10.3657","0.0002","12.7989","0.0002","18.2787","0.0004","81.712","0.001","75.211","0.001","67.712","0.001","2166.48","0.07","173","2","173","2","","","","","","","","5","P -1","-P 1","2","","","","- C7 H10 Cl3 N O2 -","- C7 H10 Cl3 N O2 -","- C56 H80 Cl24 N8 O16 -","8","4","","Skvorcova, M.; Jirgensons, A.","Intramolecular cyclopropylmethylation via non-classical carbocations","Org. Biomol. Chem.","2017","","","","","10.1039/C7OB01721A","","","0.71073","MoKα","","0.1819","0.106","","","0.2767","0.3268","","","","","","1.033","","","","has coordinates","199694","2020-10-21","18:00:00",""
"7155811","9.816","0.003","10.298","0.003","11.204","0.003","110.604","0.003","104.269","0.004","103.444","0.005","961.7","0.5","113","2","113","2","","","","","","","","6","P -1","-P 1","2","","","","- C22 H18 F N O4 S -","- C22 H18 F N O4 S -","- C44 H36 F2 N2 O8 S2 -","2","1","","Huang, You; Jin, Hongxing; Zhang, Qinglong; Li, Erqing; Jia, Penghao; Li, Ning","Phosphine-Catalyzed Intramolecular Rauhut-Currier Reaction: Enantioselective Synthesis of Hydro-2H-Indole Derivatives","Org. Biomol. Chem.","2017","","","","","10.1039/C7OB01820G","","","0.71073","MoKα","","0.0333","0.0305","","","0.0874","0.0888","","","","","","1.068","","","","has coordinates","199695","2020-10-21","18:00:00",""
"7155812","8.2619","0.0007","12.0578","0.0012","12.2736","0.001","86.934","0.005","75.93","0.005","83.499","0.006","1177.96","0.18","113","2","113","2","","","","","","","","6","P -1","-P 1","2","","","","- C26.5 H28.5 Br N O4 S -","- C26.5 H18 Br N O4 S -","- C53 H36 Br2 N2 O8 S2 -","2","1","","Huang, You; Jin, Hongxing; Zhang, Qinglong; Li, Erqing; Jia, Penghao; Li, Ning","Phosphine-Catalyzed Intramolecular Rauhut-Currier Reaction: Enantioselective Synthesis of Hydro-2H-Indole Derivatives","Org. Biomol. Chem.","2017","","","","","10.1039/C7OB01820G","","","0.71073","MoKα","","0.0435","0.0365","","","0.1056","0.1083","","","","","","1.068","","","","has coordinates,has disorder","199695","2020-10-21","18:00:00",""
"7155813","5.8155","0.0002","11.5974","0.0003","31.3321","0.001","90","","90","","90","","2113.18","0.11","100","0.1","100","0.1","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","3-[2-(4-Chlorophenyl)-2-oxoethyl]- 7,7-dimethyl-4-phenyl-4,6,7,8-tetrahydro-2H-chromene-2,5(3H)-dione","","- C25 H23 Cl O4 -","- C25 H23 Cl O4 -","- C100 H92 Cl4 O16 -","4","1","","Kowalczyk, Dorota; Albrecht, Lukasz","Organocatalytic cis-Selective Approach to Bicyclic δ-Lactones","Org. Biomol. Chem.","2017","","","","","10.1039/C7OB01570D","","x-ray","1.54184","CuKα","","0.0686","0.0615","","","0.1553","0.1593","","","","","","1.097","","","","has coordinates","199729","2020-10-21","18:00:00",""
"7155814","8.7744","0.0004","12.7387","0.0005","15.8017","0.0007","89.557","0.002","85.34","0.002","71.223","0.002","1666.38","0.13","100","0.5","100","0.5","","","","","","","","6","P -1","-P 1","2","","","","- C30 H32 B2 Br2 F4 N4 -","- C30 H32 B2 Br2 F4 N4 -","- C60 H64 B4 Br4 F8 N8 -","2","1","","Savoldelli, Andrea; Paolesse, Roberto; Fronczek, Frank R.; Smith, Kevin M.; Vicente, M Graca H","BODIPY dyads from a,c-biladiene salts","Org. Biomol. Chem.","2017","","","","","10.1039/C7OB01797A","","","0.71073","MoKα","","0.1039","0.0743","","","0.2009","0.2157","","","","","","1.067","","","","has coordinates","199730","2020-10-21","18:00:00",""
"7155815","11.6931","0.0006","12.6204","0.0006","16.4696","0.0008","90","","104.241","0.003","90","","2355.8","0.2","296","2","296","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C23 H27 N O5 S2 -","- C23 H27 N O5 S2 -","- C92 H108 N4 O20 S8 -","4","1","","Wan, Yimei; Zhang, Jian; Chen, Yongtao; Kong, Lichun; Luo, Fang; Zhu, Gangguo","Palladium-catalyzed tandem cyclization/sulfonylation of homoallenyl amides with sodium sulfinates","Org. Biomol. Chem.","2017","","","","","10.1039/C7OB01922J","","","0.71073","MoKα","","","0.0482","","","0.1053","0.1209","","","","","","1.02","","","","has coordinates","199731","2020-10-21","18:00:00",""
"7155816","9.933","0.002","29.454","0.006","11.47","0.002","90","","112.4","0.03","90","","3102.5","1.2","170","2","170","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C21 H16 N2 O -","- C21 H16 N2 O -","- C168 H128 N16 O8 -","8","2","","Gholap, Aniket V. A.; Maity, Soham; Schulzke, Carola; Maiti, Debabrata; Kapdi, Anant R.","Synthesis of Cu-catalysed quinazolinones using a Csp3‒H functionalisation/cyclisation strategy","Org. Biomol. Chem.","2017","","","","","10.1039/C7OB01723E","","","0.71073","MoKα","","0.1464","0.0448","","","0.0723","0.096","","","","","","0.794","","","","has coordinates","199761","2020-10-21","18:00:00",""
"7155817","17.102","0.007","8.688","0.003","18.461","0.008","90","","98.011","0.007","90","","2716.2","1.9","100","2","99.98","","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C31 H26 N2 O8 S2 -","- C31 H26 N2 O8 S2 -","- C124 H104 N8 O32 S8 -","4","0.5","","Gunnlaugsson, Thorfinnur; Shanmugaraju, Sankarasekaran; McAdams, Deirdre; Pancotti, Francesca; Hawes, Chris Samuel; Veale, Emma; Kitchen, Jonathan A.","One-pot facile synthesis of 4-amino-1,8-naphthalimide derived Tröger’s bases via a nucleophilic displacement approach","Org. Biomol. Chem.","2017","","","","","10.1039/C7OB01835E","","x-ray","1.54178","CuKα","","0.066","0.0543","","","0.145","0.1584","","","","","","1.031","","","","has coordinates,has disorder","199762","2020-10-21","18:00:00",""
"7155818","10.406","0.002","11.383","0.003","13.621","0.003","83.448","0.009","87.082","0.001","78.674","0.01","1571","0.6","100","2","100.15","","","","","","","","","5","P -1","-P 1","2","","N-Phenyl-1,8-naphthalimide Derived Trogers base","","- C40 H26 Cl2 N4 O4 -","- C40 H26 Cl2 N4 O4 -","- C80 H52 Cl4 N8 O8 -","2","1","","Gunnlaugsson, Thorfinnur; Shanmugaraju, Sankarasekaran; McAdams, Deirdre; Pancotti, Francesca; Hawes, Chris Samuel; Veale, Emma; Kitchen, Jonathan A.","One-pot facile synthesis of 4-amino-1,8-naphthalimide derived Tröger’s bases via a nucleophilic displacement approach","Org. Biomol. Chem.","2017","","","","","10.1039/C7OB01835E","","x-ray","0.71075","MoKα","","0.0644","0.0577","","","0.1644","0.1702","","","","","","1.048","","","","has coordinates","199762","2020-10-21","18:00:00",""
"7155819","30.029","0.004","5.0205","0.0005","17.915","0.002","90","","104.28","0.013","90","","2617.4","0.5","298.84","0.1","298.84","0.1","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C14 H13 N3 O2 -","- C14 H13 N3 O2 -","- C112 H104 N24 O16 -","8","1","","Ma, Haojie; Zhou, Xiaoqiang; Zhan, Zhenzhen; Wei, Daidong; Shi, Chong; Liu, Xingxing; Huang, Guosheng","Copper‒Catalyzed Transformation of Ketones to Amides via C(CO)‒C(alkyl) Bond Cleavage Directed by Picolinamide","Org. Biomol. Chem.","2017","","","","","10.1039/C7OB01636K","","x-ray","0.71073","MoKα","","0.1752","0.073","","","0.1332","0.1797","","","","","","1.048","","","","has coordinates","199763","2020-10-21","18:00:00",""
"7155820","11.0499","0.0014","11.3287","0.0014","11.7946","0.0014","90","","113.702","0.001","90","","1351.9","0.3","293","2","293","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C13 H21 N O3 -","- C13 H21 N O3 -","- C52 H84 N4 O12 -","4","1","","He, Xinwei; Yu, Zhiyu; Zuo, Youpeng; Yang, Cheng; Shang, Yongjia","Direct Carboxamidation of Cyclic 2-Diazo-1,3-diketones by Rh2(OAc)4-catalyzed Isocyanide Insertion-Hydrolysis","Org. Biomol. Chem.","2017","","","","","10.1039/C7OB01801K","","","0.71073","MoKα","","0.0558","0.0422","","","0.116","0.1253","","","","","","1.052","","","","has coordinates","199764","2020-10-21","18:00:00",""
"7155821","46.4589","0.0008","7.7649","0.0001","18.0818","0.0013","90","","93.435","0.007","90","","6511.3","0.5","153","2","153","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C33 H52 N4 O S -","- C33 H52 N4 O S -","- C264 H416 N32 O8 S8 -","8","1","","Koeller, Sylvain; Lescure, Marie-Helene; Davies, Clotilde; Desvergne, Jean-Pierre; massip, Stéphane; Bibal, Brigitte","Insight into the Deprotonation at the Half-Equivalence for (Thio)Amido-Benzimidazoles in the Presence of Anions","Org. Biomol. Chem.","2017","","","","","10.1039/C7OB01704A","","","1.54187","CuKα","","0.0562","0.0459","","","0.127","0.1462","","","","","","1.017","","","","has coordinates","199765","2020-10-21","18:00:00",""
"7155822","10.428","0.0001","8.6604","0.0001","30.374","0.002","90","","99.054","0.006","90","","2708.92","0.19","153","2","153","2","","","","","","","","5","P 1 2/n 1","-P 2yac","13","","","","- C26 H30.5 F6 N3.5 O -","- C26 H30.5 F6 N3.5 O -","- C104 H122 F24 N14 O4 -","4","1","","Koeller, Sylvain; Lescure, Marie-Helene; Davies, Clotilde; Desvergne, Jean-Pierre; massip, Stéphane; Bibal, Brigitte","Insight into the Deprotonation at the Half-Equivalence for (Thio)Amido-Benzimidazoles in the Presence of Anions","Org. Biomol. Chem.","2017","","","","","10.1039/C7OB01704A","","","1.54187","CuKα","","0.0787","0.0543","","","0.1391","0.1607","","","","","","1.017","","","","has coordinates,has disorder","199765","2020-10-21","18:00:00",""
"7155823","9.8669","0.0012","11.6783","0.0013","16.7989","0.0019","94.509","0.005","90.153","0.004","99.505","0.005","1903","0.4","253","2","253","2","","","","","","","","5","P -1","-P 1","2","","","","- C36 H26 F12 N6 O2 -","- C36 H26 F12 N6 O2 -","- C72 H52 F24 N12 O4 -","2","1","","Koeller, Sylvain; Lescure, Marie-Helene; Davies, Clotilde; Desvergne, Jean-Pierre; massip, Stéphane; Bibal, Brigitte","Insight into the Deprotonation at the Half-Equivalence for (Thio)Amido-Benzimidazoles in the Presence of Anions","Org. Biomol. Chem.","2017","","","","","10.1039/C7OB01704A","","","1.54187","CuKα","","0.0962","0.0756","","","0.177","0.192","","","","","","1.027","","","","has coordinates,has disorder","199765","2020-10-21","18:00:00",""
"7155824","21.9302","0.0015","8.3467","0.0006","26.7797","0.0014","90","","90","","90","","4901.9","0.5","213","2","213","2","","","","","","","","5","P n a 21","P 2c -2n","33","","","","- C50 H69 N7 O2 S2 -","- C50 H69 N7 O2 S2 -","- C200 H276 N28 O8 S8 -","4","1","","Koeller, Sylvain; Lescure, Marie-Helene; Davies, Clotilde; Desvergne, Jean-Pierre; massip, Stéphane; Bibal, Brigitte","Insight into the Deprotonation at the Half-Equivalence for (Thio)Amido-Benzimidazoles in the Presence of Anions","Org. Biomol. Chem.","2017","","","","","10.1039/C7OB01704A","","","1.54187","CuKα","","0.0723","0.059","","","0.1399","0.1535","","","","","","1.035","","","","has coordinates","199765","2020-10-21","18:00:00",""
"7155825","30.8271","0.0017","8.5867","0.0004","22.1213","0.0016","90","","108.296","0.003","90","","5559.6","0.6","293","2","293","2","","","","","","","","6","C 1 2 1","C 2y","5","","","","- C53 H65 F12 N7 O S2 -","- C52 H61 F12 N7 S2 -","- C208 H244 F48 N28 S8 -","4","1","","Koeller, Sylvain; Lescure, Marie-Helene; Davies, Clotilde; Desvergne, Jean-Pierre; massip, Stéphane; Bibal, Brigitte","Insight into the Deprotonation at the Half-Equivalence for (Thio)Amido-Benzimidazoles in the Presence of Anions","Org. Biomol. Chem.","2017","","","","","10.1039/C7OB01704A","","","1.54187","CuKα","","0.1022","0.0703","","","0.1652","0.1751","","","","","","1.046","","","","has coordinates,has disorder","199765","2020-10-21","18:00:00",""
"7155826","47.563","0.003","7.5976","0.0004","17.5514","0.0008","90","","94.075","0.004","90","","6326.4","0.6","213","2","213","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C33 H52 N4 O2 -","- C33 H52 N4 O2 -","- C264 H416 N32 O16 -","8","1","","Koeller, Sylvain; Lescure, Marie-Helene; Davies, Clotilde; Desvergne, Jean-Pierre; massip, Stéphane; Bibal, Brigitte","Insight into the Deprotonation at the Half-Equivalence for (Thio)Amido-Benzimidazoles in the Presence of Anions","Org. Biomol. Chem.","2017","","","","","10.1039/C7OB01704A","","","1.54187","CuKα","","0.0578","0.0458","","","0.1232","0.1347","","","","","","1.005","","","","has coordinates","199765","2020-10-21","18:00:00",""
"7155827","4.8277","0.0002","24.7394","0.0009","16.4158","0.0009","90","","94.129","0.002","90","","1955.52","0.15","293","2","293","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C19 H17 F6 N3 O2 -","- C19 H17 F6 N3 O2 -","- C76 H68 F24 N12 O8 -","4","1","","Koeller, Sylvain; Lescure, Marie-Helene; Davies, Clotilde; Desvergne, Jean-Pierre; massip, Stéphane; Bibal, Brigitte","Insight into the Deprotonation at the Half-Equivalence for (Thio)Amido-Benzimidazoles in the Presence of Anions","Org. Biomol. Chem.","2017","","","","","10.1039/C7OB01704A","","","1.54187","CuKα","","0.105","0.0713","","","0.1578","0.1823","","","","","","1.026","","","","has coordinates,has disorder","199765","2020-10-21","18:00:00",""
"7155828","3.8441","0.0003","14.0818","0.0011","8.2393","0.0007","90","","101.091","0.005","90","","437.68","0.06","150","2","150","2","","","","","","","","4","P 1 n 1","P -2yac","7","","","","- C9 H9 N3 O2 -","- C9 H9 N3 O2 -","- C18 H18 N6 O4 -","2","1","","Sarkar, Sujan K.; Gatlin, DeVonna M; Das, Anushree; Loftin, Breyinn; Krause, Jeanette; Abe, Manabu; Gudmundsdottir , Anna","Laser flash photolysis of nanocrystalline α-azido-p-methoxy-acetophenone","Org. Biomol. Chem.","2017","","","","","10.1039/C7OB01731F","","","0.7749","synchrotron","","0.0454","0.0365","","","0.0846","0.0889","","","","","","1.072","","","","has coordinates","199793","2020-10-21","18:00:00",""
"7155829","16.431","0.003","5.3912","0.0009","16.311","0.003","90","","94.01","0.003","90","","1441.3","0.4","150","2","150","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C17 H17 N O4 -","- C17 H17 N O4 -","- C68 H68 N4 O16 -","4","1","","Sarkar, Sujan K.; Gatlin, DeVonna M; Das, Anushree; Loftin, Breyinn; Krause, Jeanette; Abe, Manabu; Gudmundsdottir , Anna","Laser flash photolysis of nanocrystalline α-azido-p-methoxy-acetophenone","Org. Biomol. Chem.","2017","","","","","10.1039/C7OB01731F","","","0.7749","synchrotron","","0.0679","0.0424","","","0.1017","0.1132","","","","","","1.007","","","","has coordinates","199793","2020-10-21","18:00:00",""
"7155830","7.4726","0.0006","20.1154","0.0016","23.4601","0.0019","90","","90","","90","","3526.4","0.5","296","2","296","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C31 H58 O3 Si2 -","- C31 H58 O3 Si2 -","- C124 H232 O12 Si8 -","4","1","","Guillade, Lucía; Gónzalez Pérez, Adán B; R. de LERA, Angel","Synthesis of the Octahydronaphthalene Core of Nahuoic Acid A via a B(C6F5)3-Catalyzed Intramolecular Diels-Alder (IMDA) Reaction","Org. Biomol. Chem.","2017","","","","","10.1039/C7OB01665D","","","1.54178","CuKα","","0.0863","0.0701","","","0.1881","0.2039","","","","","","1.039","","","","has coordinates","199835","2020-10-21","18:00:00",""
"7155831","8.2887","0.0011","17.918","0.004","12.294","0.002","90","","104.347","0.004","90","","1768.9","0.5","296","2","296","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C31 H58 O3 Si2 -","- C31 H58 O3 Si2 -","- C62 H116 O6 Si4 -","2","1","","Guillade, Lucía; Gónzalez Pérez, Adán B; R. de LERA, Angel","Synthesis of the Octahydronaphthalene Core of Nahuoic Acid A via a B(C6F5)3-Catalyzed Intramolecular Diels-Alder (IMDA) Reaction","Org. Biomol. Chem.","2017","","","","","10.1039/C7OB01665D","","","1.54178","CuKα","","0.1066","0.0969","","","0.2401","0.2533","","","","","","1.087","","","","has coordinates,has disorder","199835","2020-10-21","18:00:00",""
"7155832","5.49","0.0002","19.9165","0.0006","18.1684","0.0008","90","","94.993","0.004","90","","1979.02","0.13","293","2","293","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C21 H20 Br N0 O3 P -","- C21 H20 Br O3 P -","- C84 H80 Br4 O12 P4 -","4","1","","Wang, Hai-Yang; Huang, Liye; Cao, Xiaohui; Liang, Dacheng; Peng, Ai-Yun","Synthesis of phostones via DABCO-catalyzed bromocyclization of alkenylphosphonic acid monoesters","Org. Biomol. Chem.","2017","","","","","10.1039/C7OB01436H","","","1.54178","CuKα","","0.0727","0.0613","","","0.1693","0.18","","","","","","1.074","","","","has coordinates","199836","2020-10-21","18:00:00",""
"7155833","20.981","0.003","11.5804","0.0017","20.012","0.003","90","","100.351","0.005","90","","4783.2","1.2","293","2","293","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C22 H25 Cl N2 O8 -","- C22 H25 Cl N2 O8 -","- C176 H200 Cl8 N16 O64 -","8","1","","Zhang, Yu; Sun, Jing; Shen, Guo-Liang; Yan, Chao Guo","Selective synthesis of tetrahydroimidazo[1,2-a]pyridine and pyrrolidine derivatives via One-pot two-step reaction","Org. Biomol. Chem.","2017","","","","","10.1039/C7OB01860F","","","0.71073","MoKα","","0.0841","0.0588","","","0.1489","0.1647","","","","","","1.028","","","","has coordinates","199848","2020-10-21","18:00:00",""
"7155834","11.7002","0.0019","10.3645","0.0014","20.605","0.003","90","","97.755","0.005","90","","2475.8","0.6","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C21 H22 Cl3 N3 O6 -","- C21 H22 Cl3 N3 O6 -","- C84 H88 Cl12 N12 O24 -","4","1","","Zhang, Yu; Sun, Jing; Shen, Guo-Liang; Yan, Chao Guo","Selective synthesis of tetrahydroimidazo[1,2-a]pyridine and pyrrolidine derivatives via One-pot two-step reaction","Org. Biomol. Chem.","2017","","","","","10.1039/C7OB01860F","","","0.71073","MoKα","","0.1188","0.0865","","","0.2264","0.2564","","","","","","1.066","","","","has coordinates","199848","2020-10-21","18:00:00",""
"7155835","10.2898","0.0013","10.3345","0.0013","10.6805","0.0016","110.213","0.004","92.129","0.004","94.62","0.004","1059.8","0.2","296","2","296","2","","","","","","","","4","P -1","-P 1","2","","","","- C21 H23 N3 O7 -","- C21 H23 N3 O7 -","- C42 H46 N6 O14 -","2","1","","Zhang, Yu; Sun, Jing; Shen, Guo-Liang; Yan, Chao Guo","Selective synthesis of tetrahydroimidazo[1,2-a]pyridine and pyrrolidine derivatives via One-pot two-step reaction","Org. Biomol. Chem.","2017","","","","","10.1039/C7OB01860F","","","0.71073","MoKα","","0.1059","0.0626","","","0.1462","0.1752","","","","","","1.065","","","","has coordinates","199848","2020-10-21","18:00:00",""
"7155836","9.1043","0.0015","10.3101","0.0017","12.91","0.002","108.789","0.004","106.251","0.004","98.82","0.005","1061.1","0.3","296","2","296","2","","","","","","","","4","P -1","-P 1","2","","","","- C21 H23 N3 O6 -","- C21 H23 N3 O6 -","- C42 H46 N6 O12 -","2","1","","Zhang, Yu; Sun, Jing; Shen, Guo-Liang; Yan, Chao Guo","Selective synthesis of tetrahydroimidazo[1,2-a]pyridine and pyrrolidine derivatives via One-pot two-step reaction","Org. Biomol. Chem.","2017","","","","","10.1039/C7OB01860F","","","0.71073","MoKα","","0.0684","0.0556","","","0.1566","0.1712","","","","","","1.043","","","","has coordinates","199848","2020-10-21","18:00:00",""
"7155837","10.3301","0.0013","10.6104","0.0013","12.2479","0.0015","68.368","0.003","82.297","0.003","61.873","0.003","1099.2","0.2","296","2","296","2","","","","","","","","4","P -1","-P 1","2","","","","- C21 H25 N3 O8 -","- C21 H25 N3 O8 -","- C42 H50 N6 O16 -","2","1","","Zhang, Yu; Sun, Jing; Shen, Guo-Liang; Yan, Chao Guo","Selective synthesis of tetrahydroimidazo[1,2-a]pyridine and pyrrolidine derivatives via One-pot two-step reaction","Org. Biomol. Chem.","2017","","","","","10.1039/C7OB01860F","","","0.71073","MoKα","","0.0543","0.0422","","","0.1189","0.1374","","","","","","1.088","","","","has coordinates","199848","2020-10-21","18:00:00",""
"7155838","8.2529","0.0011","10.4792","0.0014","14.724","0.002","90.68","0.005","97.661","0.005","108.073","0.004","1197.8","0.3","296","2","296","2","","","","","","","","4","P -1","-P 1","2","","","","- C22 H25 N3 O10 -","- C22 H25 N3 O10 -","- C44 H50 N6 O20 -","2","1","","Zhang, Yu; Sun, Jing; Shen, Guo-Liang; Yan, Chao Guo","Selective synthesis of tetrahydroimidazo[1,2-a]pyridine and pyrrolidine derivatives via One-pot two-step reaction","Org. Biomol. Chem.","2017","","","","","10.1039/C7OB01860F","","","0.71073","MoKα","","0.0981","0.0699","","","0.189","0.2114","","","","","","1.033","","","","has coordinates","199848","2020-10-21","18:00:00",""
"7155839","26.9454","0.0014","5.9941","0.0003","20.0378","0.001","90","","121.992","0.001","90","","2744.8","0.2","296","2","296","2","","","","","","","","4","C 1 2 1","C 2y","5","","","","- C28 H26 N4 O7 -","- C28 H26 N4 O7 -","- C112 H104 N16 O28 -","4","1","","Zhang, Yu; Sun, Jing; Shen, Guo-Liang; Yan, Chao Guo","Selective synthesis of tetrahydroimidazo[1,2-a]pyridine and pyrrolidine derivatives via One-pot two-step reaction","Org. Biomol. Chem.","2017","","","","","10.1039/C7OB01860F","","","0.71073","MoKα","","0.2013","0.1195","","","0.2668","0.3179","","","","","","1.084","","","","has coordinates","199848","2020-10-21","18:00:00",""
"7155840","11.771","0.004","10.369","0.003","20.983","0.006","90","","96.31","0.01","90","","2545.5","1.4","296","2","296","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C21 H23 N3 O7 -","- C21 H23 N3 O7 -","- C84 H92 N12 O28 -","4","1","","Zhang, Yu; Sun, Jing; Shen, Guo-Liang; Yan, Chao Guo","Selective synthesis of tetrahydroimidazo[1,2-a]pyridine and pyrrolidine derivatives via One-pot two-step reaction","Org. Biomol. Chem.","2017","","","","","10.1039/C7OB01860F","","","0.71073","MoKα","","0.1234","0.0858","","","0.271","0.294","","","","","","1.103","","","","has coordinates","199848","2020-10-21","18:00:00",""
"7155841","7.1646","0.0006","5.8851","0.0004","14.5753","0.0014","90","","93.051","0.009","90","","613.69","0.09","190","2","190","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","(Z)-3-iodobut-2-enoic acid","","- C4 H5 I O2 -","- C4 H5 I O2 -","- C16 H20 I4 O8 -","4","1","","Vanden Berg, Timothy J.; Pinkerton, David M.; Williams, Craig M.","7-Step total synthesis of (+)-EBC-329: Photoisomerisation reveals new seco-casbane family member","Org. Biomol. Chem.","2017","","","","","10.1039/C7OB01400G","","","0.71073","MoKα","","0.0782","0.0461","","","0.0772","0.0967","","","","","","1.03","","","","has coordinates","199849","2020-10-21","18:00:00",""
"7155842","9.1046","0.0008","15.0988","0.0014","14.5408","0.0015","90","","93.271","0.006","90","","1995.6","0.3","100","2","100","2","","","","","","","","4","P 1 c 1","P -2yc","7","","","","- C23 H25 N3 O2 -","- C23 H25 N3 O2 -","- C92 H100 N12 O8 -","4","2","","Garcia-Valverde, Maria; Pertejo, Pablo; Peña-Calleja, Pablo; Carreira-Barral, Israel; quesada, roberto; Cordero, Nicolás A.; Rodríguez, Francisco J.","Novel pyrrolobenzodiazepine and pyrroloquinazoline scaffolds synthesized by a simple and highly selective Ugi/cyclization sequence","Org. Biomol. Chem.","2017","","","","","10.1039/C7OB01807J","","","0.71073","MoKα","","0.088","0.0618","","","0.1384","0.1561","","","","","","1.044","","","","has coordinates","199850","2020-10-21","18:00:00",""
"7155843","9.9552","0.0005","10.5626","0.0005","10.569","0.0005","69.563","0.003","62.162","0.003","69.785","0.003","898.28","0.08","100","2","100","2","","","","","","","","4","P -1","-P 1","2","","","","- C20 H25 N3 O2 -","- C20 H25 N3 O2 -","- C40 H50 N6 O4 -","2","1","","Garcia-Valverde, Maria; Pertejo, Pablo; Peña-Calleja, Pablo; Carreira-Barral, Israel; quesada, roberto; Cordero, Nicolás A.; Rodríguez, Francisco J.","Novel pyrrolobenzodiazepine and pyrroloquinazoline scaffolds synthesized by a simple and highly selective Ugi/cyclization sequence","Org. Biomol. Chem.","2017","","","","","10.1039/C7OB01807J","","","0.71073","MoKα","","0.056","0.0405","","","0.0986","0.1078","","","","","","1.039","","","","has coordinates","199850","2020-10-21","18:00:00",""
"7155844","15.6121","0.0015","11.9598","0.0012","12.8469","0.0013","90","","103.093","0.007","90","","2336.4","0.4","150","","150","","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","(6-chlorophenanthren-9-yl)(4-nitrophenyl)methyl diethyl phosphate","","- C25 H23 Cl N O6 P -","- C25 H23 Cl N O6 P -","- C100 H92 Cl4 N4 O24 P4 -","4","1","","Kondoh, Azusa; Ozawa, Ryosuke; Aoki, Takuma; Terada, Masahiro","Intramolecular Addition of Benzyl Anion to Alkyne Utilizing [1,2]-Phospha-Brook Rearrangement under Brønsted Base Catalysis","Org. Biomol. Chem.","2017","","","","","10.1039/C7OB02059G","","","0.71075","MoKα","","0.0496","0.0433","","","0.1105","0.1146","","","","","","1.043","","","","has coordinates","199893","2020-10-21","18:00:00",""
"7155845","14.557","0.008","7.392","0.004","18.717","0.008","90","","113.45","0.03","90","","1847.7","1.7","293","2","293","2","","","","","","","see text","4","P 1 21/c 1","-P 2ybc","14","","","","- C22 H23 N O3 -","- C22 H23 N O3 -","- C88 H92 N4 O12 -","4","1","","Pramanik, Mukund M. D.; Nagode, Savita B.; Kant, Ruchir; Rastogi, Namrata","Visible light catalyzed Mannich reaction between tert-amines and silyl diazoenolates","Org. Biomol. Chem.","2017","","","","","10.1039/C7OB01756A","","","0.71075","MoKα","","0.156","0.075","","","0.1759","0.2001","","","","","","0.961","","","","has coordinates","211179","2020-10-21","18:00:00",""
"7155846","7.7439","0.0003","7.8264","0.0003","9.1707","0.0003","76.972","0.0013","81.6747","0.0014","83.9592","0.0014","534.27","0.03","100","2","100","2","","","","","","","","3","P -1","-P 1","2","","","","- C11 H14 O6 -","- C11 H14 O6 -","- C22 H28 O12 -","2","1","","Geibel, Irina; Schmidtmann, Marc; Christoffers, Jens","Cerium-Catalyzed, Oxidative Synthesis of Annulated, Tetrasubstituted Dihydrofuran-Derivatives","Org. Biomol. Chem.","2017","","","","","10.1039/C7OB01904A","","","0.71073","MoKα","","0.0316","0.0296","","","0.0863","0.0879","","","","","","1.059","","","","has coordinates","199923","2020-10-21","18:00:00",""
"7155847","14.688","0.0015","5.0342","0.0005","16.7218","0.0015","90","","98.151","0.004","90","","1224","0.2","193","2","193","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C25 H30 N2 O6 -","- C25 H30 N2 O6 -","- C50 H60 N4 O12 -","2","1","","HERNÁNDEZ MESA, DÁCIL; Boto, Alicia; Guzman, David; Alvarez González, Eleuterio","Metal-free, direct conversion of α-amino acids into α-keto γ-amino esters for the syntesis of α,γ-Peptides","Org. Biomol. Chem.","2017","","","","","10.1039/C7OB02033C","","","0.71073","MoKα","","0.0679","0.0523","","","0.1348","0.1444","","","","","","1.024","","","","has coordinates","199924","2020-10-21","18:00:00",""
"7155848","10.9737","0.0008","4.9511","0.0004","22.0555","0.0019","90","","102.768","0.003","90","","1168.69","0.16","193","2","193","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C23 H26 Cl2 N2 O5 -","- C23 H26 Cl2 N2 O5 -","- C46 H52 Cl4 N4 O10 -","2","1","","HERNÁNDEZ MESA, DÁCIL; Boto, Alicia; Guzman, David; Alvarez González, Eleuterio","Metal-free, direct conversion of α-amino acids into α-keto γ-amino esters for the syntesis of α,γ-Peptides","Org. Biomol. Chem.","2017","","","","","10.1039/C7OB02033C","","","0.71073","MoKα","","0.1007","0.0842","","","0.2366","0.2513","","","","","","1.053","","","","has coordinates","199924","2020-10-21","18:00:00",""
"7155849","8.312","0.0005","10.2393","0.0007","21.6965","0.0014","90","","97.053","0.001","90","","1832.6","0.2","294","2","294","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C23 H17 Cl N2 S -","- C23 H17 Cl N2 S -","- C92 H68 Cl4 N8 S4 -","4","1","","karunakar, Galla venkata; Kommuru, Goutham; Kadiyala, Veerabhushanam; Balasubramanian, Sridhar","Gold-catalyzed Intramolecular Cyclization/Condensation Sequence: Synthesis of 1,2-Dihydro[c][2,7]naphthyridines","Org. Biomol. Chem.","2017","","","","","10.1039/C7OB01285C","","","0.71073","MoKα","","0.0559","0.047","","","0.1211","0.1277","","","","","","1.033","","","","has coordinates","199963","2020-10-21","18:00:00",""
"7155850","9.8885","0.0004","11.7756","0.0004","24.4823","0.001","90","","90","","90","","2850.79","0.19","298.84","0.1","298.84","0.1","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C12 H12 Br3 N O -","- C12 H12 Br3 N O -","- C96 H96 Br24 N8 O8 -","8","1","","Chen, Fengjuan; Wang, Yajun; Zhao, Shijun; Jiang, Wei; Huo, Cong-De","Tandem radical cyclization to construct poly-brominated 2-oxindoles","Org. Biomol. Chem.","2017","","","","","10.1039/C7OB01859B","","x-ray","0.71073","MoKα","","0.0812","0.0429","","","0.0708","0.0839","","","","","","1.043","","","","has coordinates","200001","2020-10-21","18:00:00",""
"7155851","8.8691","0.0009","11.1836","0.0009","12.6245","0.0012","92.638","0.007","99.87","0.008","105.055","0.008","1185.9","0.2","293","2","293.15","","","","","","","","","5","P -1","-P 1","2","","","","- C29 H23 Cl N2 O2 -","- C29 H23 Cl N2 O2 -","- C58 H46 Cl2 N4 O4 -","2","1","","Xu, Jianfeng; Yuan, Shiru; Peng, Jingyi; Miao, Maozhong; Chen, Zhengkai; Ren, Hongjun","Base-Mediated Diastereoselective [4+3] Annulation of in situ Generated ortho-Quinone Methides with C,N-Cyclic Azomethine Imines","Org. Biomol. Chem.","2017","","","","","10.1039/C7OB01783A","","","0.71073","MoKα","","0.0866","0.0588","","","0.1557","0.1817","","","","","","1.07","","","","has coordinates","200002","2020-10-21","18:00:00",""
"7155852","9.0736","0.0013","10.7768","0.0012","21.461","0.003","90","","90","","90","","2098.6","0.5","293","2","293","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","3-methyl-2-oxo-5-((E)-(2-oxo-4,8b-dihydro-2H-indeno[1,2-b]furan-3(3aH)-ylidene) methoxy)-2,5-dihydro-1H-pyrrole-1-carboxylate","","- C22 H23 N O6 -","- C22 H23 N O6 -","- C88 H92 N4 O24 -","4","1","","Prandi, Cristina; Lombardi, Chiara; Artuso, Emma; LOLLI, Marco Lucio Lucio; Grandi, Eleonora; Priola, Emanuele; Spyrakis, Francesca","Recent Advances in the Synthesis of Analogues of Phytohormones Strigolactones with Ring-Closing Metathesis as a Key Step","Org. Biomol. Chem.","2017","","","","","10.1039/C7OB01917C","","","1.54184","CuKα","","0.108","0.0522","","","0.0999","0.1247","","","","","","1.033","","","","has coordinates","200021","2020-10-21","18:00:00",""
"7155853","10.884","0.0009","14.483","0.0013","14.997","0.0012","104.061","0.002","106.62","0.002","100.897","0.001","2110.7","0.3","298","2","298","2","","","","","","","","4","P -1","-P 1","2","","","","- C27 H23 N3 O -","- C27 H23 N3 O -","- C108 H92 N12 O4 -","4","2","","Lin, Wei; Hu, Xiuxiu; Song, Shuai; Cai, Qi; Wang, Yun; Shi, DaQing","Microwave-assisted synthesis of novel hetero[5]helicene-like molecules and coumarin derivatives","Org. Biomol. Chem.","2017","","","","","10.1039/C7OB01742A","","","0.71073","MoKα","","0.115","0.0527","","","0.0931","0.1069","","","","","","1.052","","","","has coordinates","200022","2020-10-21","18:00:00",""
"7155854","10.007","0.0009","11.0039","0.0011","18.1201","0.0016","90","","105.024","0.002","90","","1927.1","0.3","298","2","298","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C27 H21 N3 O2 -","- C27 H21 N3 O2 -","- C108 H84 N12 O8 -","4","1","","Lin, Wei; Hu, Xiuxiu; Song, Shuai; Cai, Qi; Wang, Yun; Shi, DaQing","Microwave-assisted synthesis of novel hetero[5]helicene-like molecules and coumarin derivatives","Org. Biomol. Chem.","2017","","","","","10.1039/C7OB01742A","","","0.71073","MoKα","","0.1874","0.0752","","","0.1788","0.2666","","","","","","1.053","","","","has coordinates,has disorder","200022","2020-10-21","18:00:00",""
"7155855","10.19","0.002","15.31","0.003","13.623","0.003","90","","97.81","0.03","90","","2105.6","0.8","289","2","289","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C25 H23 N O S -","- C25 H23 N O S -","- C100 H92 N4 O4 S4 -","4","1","","Xie, Xiaoyu; Li, Pinhua; Shi, Qing; Wang, Lei","Visible-light-induced tandem cyclization of 2-alkynylanilines with disulfides: A convenient method for accessing benzothiophenes under transition-metal-free and photocatalyst-free conditions","Org. Biomol. Chem.","2017","","","","","10.1039/C7OB01747B","","","0.71073","MoKα","","0.1056","0.0565","","","0.1194","0.1394","","","","","","1.025","","","","has coordinates","200023","2020-10-21","18:00:00",""
"7155856","20.3605","0.0003","11.6571","0.0003","21.6409","0.0008","90","","90.325","0.003","90","","5136.3","0.2","150","0.2","150","0.2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C29 H32 B F2 N3 -","- C29 H32 B F2 N3 -","- C232 H256 B8 F16 N24 -","8","2","","Alnoman, Rua Bandar; Stachelek, Patrycja; Knight, Julian G.; Harriman, Anthony; Waddell, Paul G.","Synthesis of 2-aminoBODIPYs by palladium catalysed amination","Org. Biomol. Chem.","2017","","","","","10.1039/C7OB01767G","","","1.54184","CuKα","","0.052","0.0384","","","0.0947","0.1043","","","","","","1.015","","","","has coordinates","200059","2020-10-21","18:00:00",""
"7155857","20.508","0.007","7.052","0.002","15.829","0.006","90","","120.795","0.015","90","","1966.5","1.2","296","2","296","2","","","","","","","","5","C 1 2 1","C 2y","5","KMK","","","- C21 H18 Br N2 O2 -","- C21 H18 Br N2 O2 -","- C84 H72 Br4 N8 O8 -","4","1","","Chen, Fu-Xue; Karmaker, Pran Gopal; Qiu, Jiashen; Wu, Di; Yin, Hongquan; Yang, Zhuo; Ren, Mengmeng","Enantioselective Electrophilic Cyanation of β-keto Amides Catalysed by Cinchona Organocatalyst","Org. Biomol. Chem.","2017","","","","","10.1039/C7OB01782K","","","0.71073","MoKα","","0.1353","0.0519","","","0.0887","0.1035","","","","","","0.934","","","","has coordinates","200116","2020-10-21","18:00:00",""
"7155858","17.0425","0.0003","6.4551","0.0001","17.1404","0.0003","90","","95.917","0.0006","90","","1875.59","0.05","100","2","100","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","(±)-4-(4-bromophenyl)-2,2,7,10-tetramethyl-1,4-dihydro-2H-benzo[f]isochromene (2dA)","","- C23 H23 Br O -","- C23 H23 Br O -","- C92 H92 Br4 O4 -","4","1","","Hinkle, Robert J.; Chen, Yuzhou; Nofi, Colleen P.; Lewis, Shane E.","Electronic effects on a one-pot aromatization cascade involving alkynyl-Prins cyclization, Friedel‒Crafts alkylation and dehydration to tricyclic benzo[f]isochromenes","Org. Biomol. Chem.","2017","","","","","10.1039/C7OB01412K","","","1.54178","CuKα","","0.0245","0.0242","","","0.0654","0.0656","","","","","","1.031","","","","has coordinates","200117","2020-10-21","18:00:00",""
"7155859","18.1842","0.0002","8.9542","0.0001","20.2236","0.0002","90","","90","","90","","3292.91","0.06","296","2","296","2","","","","","","","","3","P b c a","-P 2ac 2ab","61","","(2S*,4R*)-2-methyl-4-(p-tolyl)-1,4-dihydro-2H-benzo-[f]isochromene (cis-(±)-2eD)","","- C21 H20 O -","- C21 H20 O -","- C168 H160 O8 -","8","1","","Hinkle, Robert J.; Chen, Yuzhou; Nofi, Colleen P.; Lewis, Shane E.","Electronic effects on a one-pot aromatization cascade involving alkynyl-Prins cyclization, Friedel‒Crafts alkylation and dehydration to tricyclic benzo[f]isochromenes","Org. Biomol. Chem.","2017","","","","","10.1039/C7OB01412K","","","1.54178","CuKα","","0.0488","0.0406","","","0.1157","0.1246","","","","","","1.026","","","","has coordinates","200117","2020-10-21","18:00:00",""
"7155860","22.372","0.002","8.6007","0.0009","20.507","0.003","90","","121.939","0.004","90","","3348.5","0.7","298","2","298","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C20 H16 N2 O -","- C20 H16 N2 O -","- C160 H128 N16 O8 -","8","1","","Chen, Chuang; zhu, menghua; jiang, Lihui; Zeng, Zebing; yi, niannian; Xiang, Jiannan","Copper-Catalyzed Oxidative Cross-coupling of α-Aminocarbonyl Compounds with Primary Amines toward 2-Oxo-acetamidines","Org. Biomol. Chem.","2017","","","","","10.1039/C7OB02012K","","","1.54178","CuKα","","0.0515","0.0456","","","0.1158","0.1209","","","","","","1.002","","","","has coordinates","200118","2020-10-21","18:00:00",""
"7155861","8.24","0.04","10.18","0.06","13.48","0.07","103.86","0.16","92.63","0.11","113.2","0.12","997","9","296","","296","","","","","","","","","6","P -1","-P 1","2","","","","- C20 H15 Br2 N O3 S -","- C20 H15 Br2 N O3 S -","- C40 H30 Br4 N2 O6 S2 -","2","1","","Su, Zhenjie; Qian, Siran; Xue, Shuwen; Wang, Cunde","DBU-mediated [4 + 1] Annulations of Donor-Acceptor Cyclopropanes with Carbon disulfide or Thiourea for Synthesis of 2-Aminothiophene-3-carboxylates","Org. Biomol. Chem.","2017","","","","","10.1039/C7OB01886J","","","0.71073","MoKα","","0.1165","0.0725","","","0.2067","0.244","","","","","","1.021","","","","has coordinates","200119","2020-10-21","18:00:00",""
"7155862","31.62","0.06","8.854","0.017","13.34","0.03","90","","99.52","0.04","90","","3683","13","296","","296","","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C20 H16 Br N O3 S -","- C20 H16 Br N O3 S -","- C160 H128 Br8 N8 O24 S8 -","8","1","","Su, Zhenjie; Qian, Siran; Xue, Shuwen; Wang, Cunde","DBU-mediated [4 + 1] Annulations of Donor-Acceptor Cyclopropanes with Carbon disulfide or Thiourea for Synthesis of 2-Aminothiophene-3-carboxylates","Org. Biomol. Chem.","2017","","","","","10.1039/C7OB01886J","","","0.71073","MoKα","","0.067","0.0447","","","0.125","0.1489","","","","","","1.064","","","","has coordinates","200119","2020-10-21","18:00:00",""
"7155863","8.1715","0.0006","9.5381","0.0007","13.8371","0.001","74.718","0.002","78.453","0.002","70.74","0.002","974.49","0.12","296","","296","","","","","","","","","6","P -1","-P 1","2","","","","- C20 H15 Cl2 N O3 S -","- C20 H15 Cl2 N O3 S -","- C40 H30 Cl4 N2 O6 S2 -","2","1","","Su, Zhenjie; Qian, Siran; Xue, Shuwen; Wang, Cunde","DBU-mediated [4 + 1] Annulations of Donor-Acceptor Cyclopropanes with Carbon disulfide or Thiourea for Synthesis of 2-Aminothiophene-3-carboxylates","Org. Biomol. Chem.","2017","","","","","10.1039/C7OB01886J","","","0.71073","MoKα","","0.0534","0.0466","","","0.1309","0.1437","","","","","","1.062","","","","has coordinates","200119","2020-10-21","18:00:00",""
"7155864","12.16","0.004","16.526","0.005","19.764","0.006","75.92","0.005","73.481","0.005","86.123","0.006","3693","2","193","2","193","2","","","","","","","","4","P -1","-P 1","2","","","","- C70 H75 Br5 O10 -","- C70 H75 Br5 O10 -","- C140 H150 Br10 O20 -","2","1","","Ding, Jiaming; Chen, Jiafu; Mao, Weipeng; Huang, Junrou; Ma, Da","A New Synthetic Method for Non-symmetric Pillar[5]arenes with Simple Isolation and Improved Yield","Org. Biomol. Chem.","2017","","","","","10.1039/C7OB02013A","","","0.71073","MoKα","","0.2148","0.138","","","0.3774","0.4184","","","","","","1.163","","","","has coordinates,has disorder","200120","2020-10-21","18:00:00",""
"7155865","17.427","0.003","7.3463","0.0011","18.485","0.003","90","","95.213","0.004","90","","2356.7","0.7","293","2","293","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C31 H25 N O3 -","- C31 H25 N O3 -","- C124 H100 N4 O12 -","4","2","","Li, Xiangdong; Zhao, JiDong; Xie, Xin; Liu, Yuanhong","Synthesis of Functionalized Indolizines via Gold(I)-Catalyzed Intramolecular Hydroarylation/aromatization of Pyrrole-Ynes","Org. Biomol. Chem.","2017","","","","","10.1039/C7OB02102J","","","0.71073","MoKα","","0.1552","0.1221","","","0.2902","0.3208","","","","","","1.102","","","","has coordinates","200198","2020-10-21","18:00:00",""
"7155866","18.7982","0.0016","6.0423","0.0005","14.304","0.0012","90","","101.908","0.004","90","","1589.7","0.2","150","2","150","2","","","","","","","Organic synthesis","5","C 1 2 1","C 2y","5","","(R,R)-3-(2-methylpropane-2-sulfinylamino)-2,2-dimethyl-3-phenylpropanoic acid","","- C15 H23 N O3 S -","- C15 H23 N O3 S -","- C60 H92 N4 O12 S4 -","4","1","","Cantú-Reyes, Margarita; Alvarado-Beltrán, Isabel; Ballinas-Indilí, Ricardo; Álvarez-Toledano, Cecilio; Hernández-Rodríguez, Marcos","Stereodivergent Mannich reaction of bis(trimethylsilyl)ketene acetals with N-tert-butanesulfinyl imines by Lewis acid or Lewis base activation, a one-pot protocol to obtain chiral β-amino acids","Org. Biomol. Chem.","2017","","","","","10.1039/C7OB01853C","","","1.54178","CuKα","","0.0455","0.0415","","","0.0959","0.0994","","","","","","1.139","","","","has coordinates","200273","2020-10-21","18:00:00",""
"7155867","12.844","0.004","13.059","0.003","17.671","0.006","90","","109.17","0.03","90","","2799.6","1.5","298","2","298","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C31 H20 N4 O2 S3 -","- C31 H20 N4 O2 S3 -","- C124 H80 N16 O8 S12 -","4","1","","Vahabi, Amir Hossein; Alizadeh, Abdolali; Khavasi, Hamid Reza; Bazgir, Ayoob","Palladium-catalyzed, unsymmetrical homocoupling of thiophenes via carbon‒sulfur bond activation: a new avenue to homocoupling reactions","Org. Biomol. Chem.","2017","","","","","10.1039/C7OB01923H","","","0.71073","MoKα","","0.2212","0.0907","","","0.1091","0.1378","","","","","","0.939","","","","has coordinates","200366","2020-10-21","18:00:00",""
"7155868","6.4503","0.0016","12.709","0.003","16.51","0.004","80.068","0.019","88.626","0.019","82.085","0.019","1320.5","0.6","298","2","298","2","","","","","","","","5","P -1","-P 1","2","","","","- C25 H16 N4 O2 S3 -","- C25 H16 N4 O2 S3 -","- C50 H32 N8 O4 S6 -","2","1","","Vahabi, Amir Hossein; Alizadeh, Abdolali; Khavasi, Hamid Reza; Bazgir, Ayoob","Palladium-catalyzed, unsymmetrical homocoupling of thiophenes via carbon‒sulfur bond activation: a new avenue to homocoupling reactions","Org. Biomol. Chem.","2017","","","","","10.1039/C7OB01923H","","","0.71073","MoKα","","0.3047","0.135","","","0.2636","0.321","","","","","","0.969","","","","has coordinates","200366","2020-10-21","18:00:00",""
"7155869","19.134","0.01","10.392","0.004","10.998","0.005","90","","98.116","0.01","90","","2164.9","1.7","296","2","296","2","","","","","","","","3","C 1 2/c 1","-C 2yc","15","","1a","","- C31 H22 O -","- C31 H22 O -","- C124 H88 O4 -","4","0.5","","Prati, Luca; Mancinelli, Michele; Ciogli, Alessia; Mazzanti, Andrea","Tetrasubstituted Cyclopentadienones as Suitable Enantiopure Ligands with Axial Chirality","Org. Biomol. Chem.","2017","","","","","10.1039/C7OB01455D","","","0.71073","MoKα","","0.1144","0.0627","","","0.1208","0.1423","","","","","","1.068","","","","has coordinates","200769","2020-10-21","18:00:00",""
"7155870","15.0717","0.0008","10.5131","0.0005","9.6899","0.0005","90","","99.871","0.005","90","","1512.64","0.14","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C17 H15 N O3 S -","- C17 H15 N O3 S -","- C68 H60 N4 O12 S4 -","4","1","","Wang, Huihong; Shi, Tao; Gao, Weiwei; Zhang, Hong-Hua; Wang, Yongqiang; Li, Junfang; Hou, Yong sheng; Chen, Jin-Hong; Peng, Xue; Wang, Zhen","Double 1, 4-additions of (Thio)salicylamides/Thiosalicylic Acids with Propiolate Derivatives: A Direct, General Synthesis of Diverse Heterocyclic Scaffolds","Org. Biomol. Chem.","2017","","","","","10.1039/C7OB02101A","","","0.71073","MoKα","","0.0696","0.0476","","","0.0947","0.1097","","","","","","1.049","","","","has coordinates","200770","2020-10-21","18:00:00",""
"7155871","11.9367","0.0004","14.2449","0.0004","11.4918","0.0003","90","","112.287","0.004","90","","1808.06","0.11","293","2","293","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","((1R,2R)-2-(4-methoxyphenoxy)-1-phenylcyclopropyl)(pyrrolidin-1-yl)methanone","","- C21 H23 N O3 -","- C21 H23 N O3 -","- C84 H92 N4 O12 -","4","1","","Yamanushkin, Pavel; Lu Diaz, Michael; Edwards, Andrew Stephen; Aksenov, Nicolai A.; Rubina, Marina; Rubin, Michael","Directed Nucleophilic Addition of Phenoxides to Cyclopropenes","Org. Biomol. Chem.","2017","","","","","10.1039/C7OB01785E","","x-ray","1.54184","CuKα","","0.0632","0.0592","","","0.1653","0.1717","","","","","","1.063","","","","has coordinates","200771","2020-10-21","18:00:00",""
"7155872","9.4667","0.0005","10.5554","0.0006","10.6002","0.0006","62.334","0.006","83.248","0.005","79.062","0.005","920.55","0.1","293","2","293","2","","","","","","","","4","P -1","-P 1","2","","","","- C21 H23 N O4 -","- C21 H23 N O4 -","- C42 H46 N2 O8 -","2","1","","Yamanushkin, Pavel; Lu Diaz, Michael; Edwards, Andrew Stephen; Aksenov, Nicolai A.; Rubina, Marina; Rubin, Michael","Directed Nucleophilic Addition of Phenoxides to Cyclopropenes","Org. Biomol. Chem.","2017","","","","","10.1039/C7OB01785E","","x-ray","1.54184","CuKα","","0.0448","0.0401","","","0.1119","0.1163","","","","","","1.055","","","","has coordinates","200771","2020-10-21","18:00:00",""
"7155873","15.5689","0.0012","10.3588","0.0006","11.1945","0.0007","90","","92.692","0.006","90","","1803.4","0.2","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C17 H26 N2 O5 S -","- C17 H26 N2 O5 S -","- C68 H104 N8 O20 S4 -","4","1","","Llona-Minguez, Sabin; Throup, Adam; Steiner, Emilie; Lightowler, Molly; Van der Haegen, Sandra; Homan, Evert; Eriksson, Lars; Stenmark, Pål; Jenmalm-Jensen, Annika; Helleday, Thomas","Novel spirocyclic systems via multicomponent aza-Diels‒Alder reaction","Org. Biomol. Chem.","2017","","","","","10.1039/C7OB02069D","","","0.71073","MoKα","","0.0711","0.0398","","","0.0829","0.0866","","","","","","0.892","","","","has coordinates","200772","2020-10-21","18:00:00",""
"7155874","9.18906","0.00012","11.13074","0.00016","20.4649","0.0003","90","","97.6868","0.0012","90","","2074.36","0.05","135","0.1","135","0.1","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C21 H21 N O7 S -","- C21 H21 N O7 S -","- C84 H84 N4 O28 S4 -","4","1","","xing, siyang; Cui, Hong; Gu, Nan; Li, Ying; Wang, Kui; Tian, Dawei; Qin, Jiajing; Liu, Qiaoyang","AgOTf-Catalyzed Sequential Synthesis of 4-Isoquinolone via Oxidative Ring Opening of Aziridines and Aza-Michael Addition","Org. Biomol. Chem.","2017","","","","","10.1039/C7OB02167D","","x-ray","1.54184","CuKα","","0.0591","0.0558","","","0.1546","0.1581","","","","","","1.075","","","","has coordinates","200817","2020-10-21","18:00:00",""
"7155875","15.2903","0.0014","5.0921","0.0004","16.0912","0.0014","90","","115.067","0.011","90","","1134.9","0.2","123","2","123","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","4-((fluoromethyl)sulfonyl)-1-phenylbutan-2-one","","- C11 H13 F O3 S -","- C11 H13 F O3 S -","- C44 H52 F4 O12 S4 -","4","1","","Konik, Yulia A.; Elek, Gabor Zoltan; Kaabel, Sandra; Järving, Ivar; Lopp, Margus; Kananovich, Dzmitry","Synthesis of γ-keto sulfones by copper-catalyzed oxidative sulfonylation of tertiary cyclopropanols","Org. Biomol. Chem.","2017","","","","","10.1039/C7OB01605K","","x-ray","1.54184","CuKα","","0.0701","0.0562","","","0.1399","0.1565","","","","","","1.084","","","","has coordinates","200818","2020-10-21","18:00:00",""
"7155876","6.098","0.003","27.444","0.014","11.214","0.003","90","","103.5","0.03","90","","1824.8","1.4","295","2","295","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C21 H21 N3 O -","- C21 H21 N3 O -","- C84 H84 N12 O4 -","4","1","","Varaksin, Mikhail V.; Moseev, Timofey D.; Chupakhin, Oleg N.; Charushin, Valery; Trofimov, Boris A.","Metal-free C-H functionalization of 2H-imidazole 1-oxides with pyrrolyl fragments in the design of novel azaheterocyclic ensembles","Org. Biomol. Chem.","2017","","","","","10.1039/C7OB01999H","","","1.54184","CuKα","","0.0696","0.0434","","","0.0895","0.0922","","","","","","1.003","","","","has coordinates","200878","2020-10-21","18:00:00",""
"7155877","24.515","0.0015","8.318","0.0004","22.0494","0.0015","90","","100.632","0.003","90","","4419","0.5","293","","293","","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C23 H27 Br N2 O2 -","- C23 H27 Br N2 O2 -","- C184 H216 Br8 N16 O16 -","8","1","","Groves, Brandon R.; Cameron, T. Stanley; Thompson, Alison","Deuteration and tautomeric reactivity of the 1-methyl functionality of free-base dipyrrins","Org. Biomol. Chem.","2017","","","","","10.1039/C7OB01278K","","","0.71075","MoKα","","","0.0395","","","","0.0502","","","","","","1.07","","","","has coordinates","200879","2020-10-21","18:00:00",""
"7155878","5.7189","0.0011","12.5306","0.0017","26.957","0.003","90","","90","","90","","1931.8","0.5","296","2","296","2","","","","","","","","4","P 2 21 21","P 2bc 2","18","","","","- C23 H24 N2 O2 -","- C23 H24 N2 O2 -","- C92 H96 N8 O8 -","4","1","","Pan, Subhas Chandra; Maity, Rajendra","Enantioselective Aminocatalytic Synthesis of Tetrahydropyrano [2,3-c]Pyrazoles via Domino Michael-Hemiacetalization Reaction with Alkylidene Pyrazolones","Org. Biomol. Chem.","2017","","","","","10.1039/C7OB02170D","","","0.71073","MoKα","","0.2183","0.1268","","","0.227","0.3032","","","","","","1.149","","","","has coordinates","200880","2020-10-21","18:00:00",""
"7155879","5.9545","0.0007","12.1404","0.0009","28.388","0.002","90","","90","","90","","2052.2","0.3","296","2","296","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C23 H23 Cl N2 O2 -","- C23 H23 Cl N2 O2 -","- C92 H92 Cl4 N8 O8 -","4","1","","Pan, Subhas Chandra; Maity, Rajendra","Enantioselective Aminocatalytic Synthesis of Tetrahydropyrano [2,3-c]Pyrazoles via Domino Michael-Hemiacetalization Reaction with Alkylidene Pyrazolones","Org. Biomol. Chem.","2017","","","","","10.1039/C7OB02170D","","","0.71073","MoKα","","0.2029","0.1216","","","0.2518","0.3503","","","","","","1.081","","","","has coordinates","200880","2020-10-21","18:00:00",""
"7155880","12.6633","0.0019","16.796","0.002","9.359","0.0015","90","","104.449","0.016","90","","1927.6","0.5","100","0.2","100","0.2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C23 H24 N2 O3 -","- C23 H24 N2 O3 -","- C92 H96 N8 O12 -","4","1","","Pan, Subhas Chandra; Maity, Rajendra","Enantioselective Aminocatalytic Synthesis of Tetrahydropyrano [2,3-c]Pyrazoles via Domino Michael-Hemiacetalization Reaction with Alkylidene Pyrazolones","Org. Biomol. Chem.","2017","","","","","10.1039/C7OB02170D","","x-ray","0.71073","MoKα","","0.1554","0.0698","","","0.1432","0.1859","","","","","","1.017","","","","has coordinates","200880","2020-10-21","18:00:00",""
"7155881","10.482","","5.173","","12.755","","90","","98.46","","90","","684.094","","173","","173","","","","","","","","","3","P 1 21 1","P 2yb","4","","","","- C19 H16 O -","- C19 H16 O -","- C38 H32 O2 -","2","1","","Fan, Rui; Wen, Yuewei; Thamattoor, Dasan Madhav","Photochemical Generation and Trapping of 3-Oxacyclohexyne","Org. Biomol. Chem.","2017","","","","","10.1039/C7OB01697B","","","0.71073","MoKα","","0.0748","0.0455","","","0.1141","0.1341","","","","","","0.875","","","","has coordinates,has disorder","200956","2020-10-21","18:00:00",""
"7155882","10.5283","0.0002","14.2319","0.0003","14.0529","0.0003","90","","105.291","0.001","90","","2031.11","0.07","173","","172.98","","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","","","- C25 H22 O5 -","- C25 H22 O5 -","- C100 H88 O20 -","4","1","","Fan, Rui; Wen, Yuewei; Thamattoor, Dasan Madhav","Photochemical Generation and Trapping of 3-Oxacyclohexyne","Org. Biomol. Chem.","2017","","","","","10.1039/C7OB01697B","","x-ray","0.71073","MoKα","K-L~3~","0.0737","0.0462","","","0.1024","0.1157","","","","","","1.014","","","","has coordinates,has disorder","200956","2020-10-21","18:00:00",""
"7155883","13.469","0.003","12.454","0.002","14.312","0.003","90","0.03","91.69","0.03","90","0.03","2399.7","0.8","173","2","172.99","","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C33 H26 O -","- C33 H26 O -","- C132 H104 O4 -","4","1","","Fan, Rui; Wen, Yuewei; Thamattoor, Dasan Madhav","Photochemical Generation and Trapping of 3-Oxacyclohexyne","Org. Biomol. Chem.","2017","","","","","10.1039/C7OB01697B","","x-ray","0.71073","MoKα","K-L~3~","0.1172","0.0509","","","0.0945","0.1158","","","","","","1.017","","","","has coordinates,has disorder","200956","2020-10-21","18:00:00",""
"7155884","10.918","0.002","14.453","0.003","14.576","0.003","90","","95.125","0.006","90","","2290.9","0.8","205","","205","","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C24 H24 Cl N2 O3 P -","- C24 H24 Cl N2 O3 P -","- C96 H96 Cl4 N8 O12 P4 -","4","1","","Wei, Weiwei; Li, Xuanyi; Gu, Meng; Yao, Hequan; Lin, Aijun","Cu/Pd Cooperatively Catalyzed Tandem C-N and C-P Bonds Formation: Access to Phosphorated 2H-Indazoles","Org. Biomol. Chem.","2017","","","","","10.1039/C7OB02323E","","","0.71073","MoKα","","0.1128","0.0552","","","0.1288","0.1557","","","","","","0.97","","","","has coordinates,has disorder","201020","2020-10-21","18:00:00",""
"7155885","8.75356","0.00007","8.85744","0.00005","24.746","0.0002","90","","90","","90","","1918.66","0.02","100","2","100","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C21 H23 N O4 -","- C21 H23 N O4 -","- C84 H92 N4 O16 -","4","1","","Jackson, Mark; O'Broin, Calvin Quince; Müller-Bunz, Helge; Guiry, Patrick J.","Enantioselective synthesis of sterically hindered α-allyl‒α-aryl oxindoles via palladium-catalysed decarboxylative asymmetric allylic alkylation","Org. Biomol. Chem.","2017","","","","","10.1039/C7OB02161E","","","1.54184","CuKα","","0.0309","0.0287","","","0.0711","0.0729","","","","","","1.041","","","","has coordinates","201021","2020-10-21","18:00:00",""
"7155886","12.4015","0.0003","12.4015","0.0003","44.3208","0.0011","90","","90","","90","","6816.4","0.3","100","2","100","2","","","","","","","","5","P 41","P 4w","76","","","","- C39.5 H25.65 Cl4.35 N2 O2 -","- C39.5 H25.6525 Cl4.3475 N2 O2 -","- C316 H205.22 Cl34.78 N16 O16 -","8","2","","Ikai, Tomoyuki; Wada, Yuya; Awata, Seiya; Yun, Changsik; Maeda, Katsuhiro; Mizuno, Motohiro; Swager, Timothy M.","Chiral triptycene-pyrene π-conjugated chromophores with circularly polarized luminescence","Org. Biomol. Chem.","2017","","","","","10.1039/C7OB02046E","","","1.54178","CuKα","","0.0727","0.0723","","","0.1932","0.1935","","","","","","1.146","","","","has coordinates,has disorder","201098","2020-10-21","18:00:00",""
"7155887","9.3298","0.0001","9.3298","0.0001","25.5998","0.0002","90","","90","","120","","1929.8","0.03","290","2","290","2","","","","","","","","5","P 32","P 32","145","","","","- C26 H27 N3 O4 S -","- C26 H27 N3 O4 S -","- C78 H81 N9 O12 S3 -","3","1","","Cui, Baodong; Chen, Yu; Shan, Jing; Qin, Lei; Yuan, Changlun; Wang, Yi; Han, Wen-Yong; Wan, Nanwei; Chen, Yong-Zheng","Enantioselective Synthesis of Spiro-oxindole-based 3,4-Dihydropyrroles via a Michael/Cyclization Cascade of 3-Aminooxindoles with 2-Enoylpyridines","Org. Biomol. Chem.","2017","","","","","10.1039/C7OB02138K","","","1.54184","CuKα","","0.0344","0.0342","","","0.0916","0.0918","","","","","","1.035","","","","has coordinates","201165","2020-10-21","18:00:00",""
"7155888","5.8282","0.0001","12.018","0.0002","24.9007","0.0003","90","","90","","90","","1744.13","0.05","150.01","0.1","150.01","0.1","","","","","","","synthesis as described","4","P 21 21 21","P 2ac 2ab","19","","(Z)-4-Allyl-N-butyl-3-phenyl-1H-isochromen-1-imine","","- C22 H23 N O -","- C22 H23 N O -","- C88 H92 N4 O4 -","4","1","","Alvarez, Rosana; Vilar, Unai; Madich, Youssef; Aurrecoechea, Jose M.","On the Regiochemical Differences between Pd-Catalyzed Heterocyclization-Allylation and -Arylation Reactions of Alkynylbenzamides: Preparation of 4-Allyl-isochromen-1-imines and Computational Study","Org. Biomol. Chem.","2017","","","","","10.1039/C7OB02117H","","x-ray","1.54184","","","0.0357","0.0339","","","0.0852","0.087","","","","","","1.038","","","","has coordinates","201196","2020-10-21","18:00:00",""
"7155889","9.4549","0.0011","10.764","0.0012","21.279","0.003","90","","98.778","0.002","90","","2140.3","0.5","296","2","296","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","ethyl 3-hydroxy-5-methyl-2-(4-(<i>m</i>-tolyl)-1<i>H</i>-1,2,3-triazol-1-yl)-[1,1'-\ biphenyl]-4- carboxylate","","- C25 H23 N3 O3 -","- C25 H23 N3 O3 -","- C100 H92 N12 O12 -","4","1","","Wang, Qiang; Shi, Xiaonan; Zhang, Xinying; Fan, Xuesen","A Convenient Synthesis of 1-Aryl-1H-1,2,3-triazoles from Aliphatic Substrates","Org. Biomol. Chem.","2017","","","","","10.1039/C7OB02035J","","","0.71073","MoKα","","0.1068","0.0498","","","0.1102","0.1408","","","","","","1.004","","","","has coordinates","201197","2020-10-21","18:00:00",""
"7155890","10.371","0.0002","11.8296","0.0003","13.3226","0.0003","90","","90","","90","","1634.48","0.06","90","2","90","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C20 H28 O2 -","- C20 H28 O2 -","- C80 H112 O8 -","4","1","","Uroos, Maliha; Pitt, Phillip; Harwood, Laurence Marius; Lewis, William; Blake, Alexander J.; Hayes, Christopher J. J","Total synthesis of (‒)-aritasone via the ultra-high pressure hetero-Diels-Alder dimerisation of (‒)-pinocarvone","Org. Biomol. Chem.","2017","","","","","10.1039/C7OB02204B","","x-ray","1.54184","CuKα","","0.0282","0.0278","","","0.0751","0.0754","","","","","","1.052","","","","has coordinates","201341","2020-10-21","18:00:00",""
"7155891","6.6086","0.0003","9.9529","0.0005","25.6799","0.0013","90","","90","","90","","1689.09","0.14","120","2","120","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C20 H28 O2 -","- C20 H28 O2 -","- C80 H112 O8 -","4","1","","Uroos, Maliha; Pitt, Phillip; Harwood, Laurence Marius; Lewis, William; Blake, Alexander J.; Hayes, Christopher J. J","Total synthesis of (‒)-aritasone via the ultra-high pressure hetero-Diels-Alder dimerisation of (‒)-pinocarvone","Org. Biomol. Chem.","2017","","","","","10.1039/C7OB02204B","","","0.71073","MoKα","","0.0607","0.0502","","","0.0924","0.0988","","","","","","1.063","","","","has coordinates","201341","2020-10-21","18:00:00",""
"7155892","6.2525","0.0006","10.9938","0.001","24.717","0.002","90","","90","","90","","1699","0.3","150","2","150","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C20 H28 O2 -","- C20 H28 O2 -","- C80 H112 O8 -","4","1","","Uroos, Maliha; Pitt, Phillip; Harwood, Laurence Marius; Lewis, William; Blake, Alexander J.; Hayes, Christopher J. J","Total synthesis of (‒)-aritasone via the ultra-high pressure hetero-Diels-Alder dimerisation of (‒)-pinocarvone","Org. Biomol. Chem.","2017","","","","","10.1039/C7OB02204B","","","0.71073","MoKα","","0.059","0.0553","","","0.1194","0.1211","","","","","","1.184","","","","has coordinates","201341","2020-10-21","18:00:00",""
"7155893","21.834","0.004","4.927","0.001","22.042","0.004","90","","97.23","0.03","90","","2352.3","0.8","100","2","100","2","","","","","","","","5","P 1 c 1","P -2yc","7","","","","- C27 H6 F15 N3 O3 -","- C27 H6 F15 N3 O3 -","- C108 H24 F60 N12 O12 -","4","2","","Mehr, S. Hessam M.; Oshima, Hiroya; Carta, Veronica; Patrick, Brian O.; White, Nicholas G.; MacLachlan, Mark J.","Tuning the tautomeric behavior of tris(salicylaldimines)","Org. Biomol. Chem.","2017","","","","","10.1039/C7OB02058A","","x-ray","0.68879","","","0.039","0.0344","","","0.0903","0.0929","","","","","","1.104","","","","has coordinates,has disorder","201396","2020-10-21","18:00:00",""
"7155894","15.537","0.002","4.479","0.0007","14.849","0.002","90","","100.182","0.004","90","","1017.1","0.2","90","","90","","","","","","","","synthesized","4","P 1 21/c 1","-P 2ybc","14","","","","- C9 H12 N6 O3 -","- C9 H12 N6 O3 -","- C36 H48 N24 O12 -","4","1","","Mehr, S. Hessam M.; Oshima, Hiroya; Carta, Veronica; Patrick, Brian O.; White, Nicholas G.; MacLachlan, Mark J.","Tuning the tautomeric behavior of tris(salicylaldimines)","Org. Biomol. Chem.","2017","","","","","10.1039/C7OB02058A","","","0.71073","MoKα","","0.0581","0.0486","","0.1092","0.1054","0.1091","","","","","","0.9843","","","","has coordinates,has disorder","201396","2020-10-21","18:00:00",""
"7155895","4.3393","0.0014","18.049","0.006","20.965","0.007","90","","90.408","0.006","90","","1641.9","0.9","90","","90","","","","","","","","synthesized","5","P 1 21/n 1","-P 2yn","14","","","","- C31 H32 Cl2 N6 O12 -","- C31 H32 Cl2 N6 O12 -","- C62 H64 Cl4 N12 O24 -","2","0.5","","Mehr, S. Hessam M.; Oshima, Hiroya; Carta, Veronica; Patrick, Brian O.; White, Nicholas G.; MacLachlan, Mark J.","Tuning the tautomeric behavior of tris(salicylaldimines)","Org. Biomol. Chem.","2017","","","","","10.1039/C7OB02058A","","","0.71073","MoKα","","0.0782","0.0677","","0.1341","0.1305","0.1341","","","","","","0.9101","","","","has coordinates","201396","2020-10-21","18:00:00",""
"7155896","33.094","0.004","33.094","0.004","4.6401","0.0007","90","","90","","90","","5081.9","1.2","90","","90","","","","","","","","synthesized","4","I -4","I -4","82","","","","- C30 H27 N3 O6 -","- C30 H27 N3 O6 -","- C240 H216 N24 O48 -","8","1","","Mehr, S. Hessam M.; Oshima, Hiroya; Carta, Veronica; Patrick, Brian O.; White, Nicholas G.; MacLachlan, Mark J.","Tuning the tautomeric behavior of tris(salicylaldimines)","Org. Biomol. Chem.","2017","","","","","10.1039/C7OB02058A","","","1.54178","CuKα","","0.0529","0.0451","","0.1243","0.1138","0.1243","","","","","","0.919","","","","has coordinates","201396","2020-10-21","18:00:00",""
"7155897","13.462","0.003","18.842","0.004","13.504","0.003","90","","98.67","0.03","90","","3386.2","1.3","173","2","173","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C30 H52 N6 O8 -","- C30 H52 N6 O8 -","- C120 H208 N24 O32 -","4","1","","Mehr, S. Hessam M.; Oshima, Hiroya; Carta, Veronica; Patrick, Brian O.; White, Nicholas G.; MacLachlan, Mark J.","Tuning the tautomeric behavior of tris(salicylaldimines)","Org. Biomol. Chem.","2017","","","","","10.1039/C7OB02058A","","x-ray","0.68879","synchrotron","","0.0696","0.0492","","","0.1236","0.1344","","","","","","1.027","","","","has coordinates,has disorder","201396","2020-10-21","18:00:00",""
"7155898","13.3358","0.0004","8.919","0.0003","19.7702","0.0008","90","","95.598","0.003","90","","2340.29","0.14","293","","293","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C20 H37 N2 O5 P -","- C20 H37 N2 O5 P -","- C80 H148 N8 O20 P4 -","4","1","","Audran, Gérard; Bikanga, Raphael; Brémond, Paul; Edeleva, Mariya; Joly, Jean-Patrick; Marque, Sylvain R. A.; Nkolo, Paulin; Roubaud, Valérie","How intramolecular hydrogen bonding (IHB) controls the C‒ON bond homolysis in alkoxyamines","Org. Biomol. Chem.","2017","","","","","10.1039/C7OB02223A","","x-ray","0.71073","MoKα","","0.0852","0.0621","","","0.1501","0.1665","","","","","","1.052","","","","has coordinates","201397","2020-10-21","18:00:00",""
"7155899","14.4884","0.0006","12.0955","0.0004","14.1006","0.0006","90","","108.748","0.005","90","","2339.94","0.17","293","","293","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C20 H37 N2 O5 P -","- C20 H37 N2 O5 P -","- C80 H148 N8 O20 P4 -","4","1","","Audran, Gérard; Bikanga, Raphael; Brémond, Paul; Edeleva, Mariya; Joly, Jean-Patrick; Marque, Sylvain R. A.; Nkolo, Paulin; Roubaud, Valérie","How intramolecular hydrogen bonding (IHB) controls the C‒ON bond homolysis in alkoxyamines","Org. Biomol. Chem.","2017","","","","","10.1039/C7OB02223A","","x-ray","0.71073","MoKα","","0.07","0.0489","","","0.1227","0.1359","","","","","","1.035","","","","has coordinates","201397","2020-10-21","18:00:00",""
"7155900","8.4725","0.00015","12.5302","0.0002","12.5601","0.0002","59.3789","0.0007","76.9217","0.0008","68.9074","0.0009","1069.05","0.03","93.1","","93.1","","","","","","","","","5","P -1","-P 1","2","","","","- C24.5 H20.5 Cl1.5 N2 O4 -","- C24.5 H20.5 Cl1.5 N2 O4 -","- C49 H41 Cl3 N4 O8 -","2","1","","Luccarelli, James; Jones, Ian M.; Thompson, Sam; Hamilton, Andrew D.","Unpicking the determinants of amide NH••O=C hydrogen bond strength with diphenylacetylene molecular balances","Org. Biomol. Chem.","2017","","","","","10.1039/C7OB02026K","","","1.54187","CuKα","","","0.0646","","","","0.1663","","","","","","1.034","","","","has coordinates","201398","2020-10-21","18:00:00",""
"7155901","12.0339","0.0012","12.2457","0.0012","8.4183","0.0008","90","","107.164","0.0019","90","","1185.3","0.2","223.1","","","","","","","","","","","4","P 1 c 1","P -2yc","7","","","","- C30 H22 N2 O4 -","- C30 H22 N2 O4 -","- C60 H44 N4 O8 -","2","1","","Luccarelli, James; Jones, Ian M.; Thompson, Sam; Hamilton, Andrew D.","Unpicking the determinants of amide NH••O=C hydrogen bond strength with diphenylacetylene molecular balances","Org. Biomol. Chem.","2017","","","","","10.1039/C7OB02026K","","","0.71075","MoKα","","","0.052","","","","0.1082","","","","","","1.039","","","","has coordinates","201398","2020-10-21","18:00:00",""
"7155902","12.1075","0.0014","12.4511","0.0014","8.6144","0.001","90","","105.293","0.002","90","","1252.7","0.2","223.1","","","","","","","","","","","4","P 1 c 1","P -2yc","7","","","","- C31 H24 N2 O5 -","- C31 H24 N2 O5 -","- C62 H48 N4 O10 -","2","1","","Luccarelli, James; Jones, Ian M.; Thompson, Sam; Hamilton, Andrew D.","Unpicking the determinants of amide NH••O=C hydrogen bond strength with diphenylacetylene molecular balances","Org. Biomol. Chem.","2017","","","","","10.1039/C7OB02026K","","","0.71075","MoKα","","","0.063","","","","0.139","","","","","","1.075","","","","has coordinates","201398","2020-10-21","18:00:00",""
"7155903","10.66","0.004","9.536","0.004","13.873","0.005","90","","107.324","0.007","90","","1346.3","0.9","295","2","295","2","","","","","","","1,3-di-tert-butylpyrimidine-2,4,6(1H,3H,5H)-trione/3-(4-chlorophenyl)-1-(p-tolyl)propan-1-one","5","P 1 21 1","P 2yb","4","1,3-di-tert-butyl-5-(1-(4-chlorophenyl)-3-oxo-3-(p-tolyl)propyl)pyrimidine-2,4,6(1H,3H,5H)-trione","1,3-di-tert-butyl-5-(1-(4-chlorophenyl)-3-oxo-3-(p-tolyl)propyl)pyrimidine-2,4,6(1H,3H,5H)-trione","","- C28 H33 Cl N2 O4 -","- C28 H33 Cl N2 O4 -","- C56 H66 Cl2 N4 O8 -","2","1","","Liu, Ying; Zhang, Yongna; Duan, Hui-Xin; Wanyan, Dong-Yan; Wang, You-Qing","Enantioselective Organocatalytic Michael Additions of N,N'-Dialkylbarbituric Acids to Enones","Org. Biomol. Chem.","2017","","","","","10.1039/C7OB02116J","","","0.71073","MoKα","","0.085","0.0576","","","0.1078","0.1285","","","","","","1.121","","","","has coordinates","201399","2020-10-21","18:00:00",""
"7155904","19.9398","0.0017","10.9448","0.001","16.3541","0.0014","90","","95.219","0.002","90","","3554.3","0.5","100","2","100","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C25 H16 F N O2 -","- C25 H16 F N O2 -","- C200 H128 F8 N8 O16 -","8","1","","Jin, Shao-Jing; Guo, Jiao-Mei; Zhu, Yan-Shuo; Wang, Qi-Lin; Bu, Zhanwei","A Copper-Catalyzed Tandem Reaction for the Construction of Coumarin Fused 9H-Pyrrolo[1,2-a]indoles","Org. Biomol. Chem.","2017","","","","","10.1039/C7OB02307C","","","0.71073","MoKα","","0.0715","0.0535","","","0.1276","0.138","","","","","","0.982","","","","has coordinates","201547","2020-10-21","18:00:00",""
"7155905","10.3304","0.0005","11.1679","0.0005","24.5971","0.0012","90","","90","","90","","2837.7","0.2","150","","150","","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C32 H36 Br N O4 -","- C32 H36 Br N O4 -","- C128 H144 Br4 N4 O16 -","4","1","","Li, Wenjun; Zhang, Lili; Liu, Yang; Liu, Kun; Liu, Zhantao; He, Ningning","Asymmetric synthesis of dihydrocoumarins via organocatalytic hetero-Diels-Alder reaction of ortho-quinone methides","Org. Biomol. Chem.","2017","","","","","10.1039/C7OB02325A","","","0.71073","MoKα","","0.0396","0.0337","","","0.0815","0.0848","","","","","","1.038","","","","has coordinates","201548","2020-10-21","18:00:00",""
"7155906","8.3643","0.0006","11.0918","0.0009","14.0147","0.0011","90","","107.36","","90","","1240.99","0.17","293","2","293","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C13 H12 F3 N O2 -","- C13 H12 F3 N O2 -","- C52 H48 F12 N4 O8 -","4","1","","zou, guanglong; wang, xuelin","Visible-light induced di- and trifluoromethylation of N-methacryloyl benzamides with fluorinated sulfones for the synthesis of CF2H/CF3-containing isoquinolinediones","Org. Biomol. Chem.","2017","","","","","10.1039/C7OB02226C","","","0.71073","MoKα","","0.1219","0.0967","","","0.2413","0.2635","","","","","","0.982","","","","has coordinates","201585","2020-10-21","18:00:00",""
"7155907","7.9457","0.0007","19.7796","0.0015","8.9411","0.0008","90","","107.13","0.009","90","","1342.9","0.2","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C14 H15 F2 N O3 -","- C14 H15 F2 N O3 -","- C56 H60 F8 N4 O12 -","4","1","","zou, guanglong; wang, xuelin","Visible-light induced di- and trifluoromethylation of N-methacryloyl benzamides with fluorinated sulfones for the synthesis of CF2H/CF3-containing isoquinolinediones","Org. Biomol. Chem.","2017","","","","","10.1039/C7OB02226C","","","0.71073","MoKα","","0.0794","0.0613","","","0.1443","0.1553","","","","","","1.074","","","","has coordinates","201585","2020-10-21","18:00:00",""
"7155908","13.474","0.002","14.769","0.002","19.43","0.003","86.111","0.005","73.453","0.005","87.487","0.006","3696.6","0.9","296.15","","296.15","","","","","","","","","5","P -1","-P 1","2","","SubPc dimer","","- C76 H66 B2 N12 Si2 -","- C76 B2 N12 Si2 -","- C152 B4 N24 Si4 -","2","1","","Gotfredsen, Henrik; Broløs, Line; Holmstrøm, Thomas; Sørensen, Jacob; Viñas, Alberto; Kilde, Martin Drøhse; Skov, Anders B.; Santella, Marco; Hammerich, Ole; Nielsen, Mogens Brøndsted","Acetylenic scaffolding with subphthalocyanines ‒ synthetic scope and elucidation of electronic interactions in dimeric structures","Org. Biomol. Chem.","2017","","","","","10.1039/C7OB01907F","","","0.71073","MoKα","","0.1102","0.0935","","","0.2717","0.2985","","","","","","0.8395","","","","has coordinates","201586","2020-10-21","18:00:00",""
"7155909","7.004","0.0003","8.8258","0.0004","8.9668","0.0005","100.469","0.004","95.629","0.004","104.054","0.004","522.84","0.05","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C11 H13 N O S -","- C11 H13 N O S -","- C22 H26 N2 O2 S2 -","2","1","","Urriolabeitia, Esteban Pablo; Ruiz, Sara; Carrera, Clara; Villuendas, Pedro","Ru-catalysed synthesis of fused heterocycle-pyridinones and -pyrones","Org. Biomol. Chem.","2017","","","","","10.1039/C7OB01497J","","","0.71073","MoKα","","0.0547","0.0411","","","0.1021","0.1121","","","","","","1.047","","","","has coordinates","201686","2020-10-21","18:00:00",""
"7155910","22.0506","0.0011","10.8562","0.0004","22.7711","0.0009","90","","114.574","0.006","90","","4957.3","0.4","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C33 H21 N O S -","- C33 H21 N O S -","- C264 H168 N8 O8 S8 -","8","2","","Urriolabeitia, Esteban Pablo; Ruiz, Sara; Carrera, Clara; Villuendas, Pedro","Ru-catalysed synthesis of fused heterocycle-pyridinones and -pyrones","Org. Biomol. Chem.","2017","","","","","10.1039/C7OB01497J","","","0.71073","MoKα","","0.1554","0.0595","","","0.0973","0.1324","","","","","","1.019","","","","has coordinates","201686","2020-10-21","18:00:00",""
"7155911","14.6413","0.0004","14.6413","0.0004","32.7707","0.0019","90","","90","","90","","7025","0.5","293","2","293","2","","","","","","","","5","I 41 c d","I 4bw -2c","110","","","","- C9 H9 N O S -","- C9 H9 N O S -","- C288 H288 N32 O32 S32 -","32","2","","Urriolabeitia, Esteban Pablo; Ruiz, Sara; Carrera, Clara; Villuendas, Pedro","Ru-catalysed synthesis of fused heterocycle-pyridinones and -pyrones","Org. Biomol. Chem.","2017","","","","","10.1039/C7OB01497J","","","0.71073","MoKα","","0.1312","0.0767","","","0.1911","0.225","","","","","","1.024","","","","has coordinates","201686","2020-10-21","18:00:00",""
"7155912","8.5758","0.0002","11.4732","0.0004","11.7346","0.0003","90","","90.065","0.002","90","","1154.59","0.06","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C12 H15 N O S -","- C12 H15 N O S -","- C48 H60 N4 O4 S4 -","4","1","","Urriolabeitia, Esteban Pablo; Ruiz, Sara; Carrera, Clara; Villuendas, Pedro","Ru-catalysed synthesis of fused heterocycle-pyridinones and -pyrones","Org. Biomol. Chem.","2017","","","","","10.1039/C7OB01497J","","","0.71073","MoKα","","0.068","0.0486","","","0.1276","0.1431","","","","","","1.048","","","","has coordinates","201686","2020-10-21","18:00:00",""
"7155913","5.6715","0.0002","8.7531","0.0002","10.1807","0.0002","84.071","0.001","82.036","0.001","83.693","0.001","495.5","0.02","100","2","100","2","","","","","","","","4","P 1","P 1","1","","Phenyl 4-hydroxy-3-(3-oxocyclohex-1-en-1-yl)-4-phenyltetrahydrothiophene-2-carboxylate","","- C23 H22 O4 S -","- C23 H22 O4 S -","- C23 H22 O4 S -","1","1","","Przydacz, Artur; Kowalczyk, Rafał; Albrecht, Lukasz","Brønsted-base-catalyzed Remote Cascade Reactivity of 2,4-Dienones - Asymmetric Synthesis of Tetrahydrothiophenes","Org. Biomol. Chem.","2017","","","","","10.1039/C7OB02397A","","","1.54178","CuKα","","0.0379","0.0364","","","0.0893","0.0917","","","","","","1.12","","","","has coordinates,has disorder","201687","2020-10-21","18:00:00",""
"7155914","19.078","0.002","17.996","0.002","20.823","0.003","90","","90","","90","","7149.1","1.5","296","2","296","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C43 H40 N4 O4 -","- C43 H40 N4 O4 -","- C344 H320 N32 O32 -","8","1","","Qian, Yu-lun; Xia, Peng-Ju; Li, Jun; Zhao, Qinglan; Xiao, Jun-An; Xiang, Haoyue; Yang, Hua","Diversity-driven and facile 1,3-dipolar cycloaddition to access dispirooxindole-imidazolidine scaffolds","Org. Biomol. Chem.","2017","","","","","10.1039/C7OB02319G","","","0.71073","MoKα","","0.1258","0.0531","","","0.1222","0.1495","","","","","","1.007","","","","has coordinates","206489","2020-10-21","18:00:00",""
"7155915","10.1477","0.0004","21.6478","0.0008","13.5815","0.0004","90","","94.959","0.002","90","","2972.35","0.18","296","2","296","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C33 H36 N4 O4 -","- C33 H36 N4 O4 -","- C132 H144 N16 O16 -","4","1","","Qian, Yu-lun; Xia, Peng-Ju; Li, Jun; Zhao, Qinglan; Xiao, Jun-An; Xiang, Haoyue; Yang, Hua","Diversity-driven and facile 1,3-dipolar cycloaddition to access dispirooxindole-imidazolidine scaffolds","Org. Biomol. Chem.","2017","","","","","10.1039/C7OB02319G","","","0.71073","MoKα","","0.0985","0.0694","","","0.1781","0.1996","","","","","","1.04","","","","has coordinates","201688","2020-10-21","18:00:00",""
"7155916","9.383","0.0006","11.5671","0.0008","11.822","0.0008","82.403","0.005","77.878","0.005","69.245","0.006","1170.72","0.14","295.25","0.11","295.25","0.11","","","","","","","","4","P -1","-P 1","2","","","","- C22 H26 N6 O4 -","- C22 H26 N6 O4 -","- C44 H52 N12 O8 -","2","1","","Liu, Haifeng; Zhu, Tong-Hao; Xu, Pei; Wang, Shun-Yi; Ji, Shun-Jun","I2/CHP Mediated [1+1+1+1] Cyclization of Aromaticisocyanide with Amine to Construct 1,3-Diazetidine-2,4-diimine Derivatives","Org. Biomol. Chem.","2017","","","","","10.1039/C7OB02255G","","x-ray","0.71073","MoKα","","0.1284","0.0681","","","0.1772","0.2235","","","","","","1.045","","","","has coordinates,has disorder","201689","2020-10-21","18:00:00",""
"7155917","8.2634","0.001","12.174","0.002","15.232","0.003","88.77","0.03","79.422","0.018","76.323","0.018","1463.2","0.4","93","2","93","2","","","","","","","","7","P -1","-P 1","2","","","","- C66 H61 B2 Cl3 F4 N4 S2 -","- C66 H61 B2 Cl3 F4 N4 S2 -","- C66 H61 B2 Cl3 F4 N4 S2 -","1","0.5","","Maeda, Chihiro; Todaka, Takumi; Ueda, Tomomi; Ema, Tadashi","Synthesis of carbazole-based BODIPY dimer showing red fluorescence in the solid state","Org. Biomol. Chem.","2017","","","","","10.1039/C7OB02419C","","","1.54187","CuKα","","0.0722","0.0487","","","0.1239","0.1387","","","","","","1.004","","","","has coordinates,has disorder","201908","2020-10-21","18:00:00",""
"7155918","9.6199","0.0015","11.2244","0.0019","24.169","0.004","88.899","0.015","85.634","0.013","83.446","0.012","2585","0.7","93","2","93","2","","","","","","","","7","P -1","-P 1","2","","","","- C56.61 H52 B2 Cl1.23 F4 N6 S4 -","- C56.6035 H52 B2 Cl1.207 F4 N6 S4 -","- C113.207 H104 B4 Cl2.414 F8 N12 S8 -","2","1","","Maeda, Chihiro; Todaka, Takumi; Ueda, Tomomi; Ema, Tadashi","Synthesis of carbazole-based BODIPY dimer showing red fluorescence in the solid state","Org. Biomol. Chem.","2017","","","","","10.1039/C7OB02419C","","","1.54187","CuKα","","0.0557","0.052","","","0.1484","0.1517","","","","","","1.024","","","","has coordinates,has disorder","201908","2020-10-21","18:00:00",""
"7155919","13.2852","0.0018","6.7684","0.001","14.0755","0.0019","90","","112.709","0.004","90","","1167.5","0.3","296","2","296","2","","","","","","","","4","P 1 21 1","P 2yb","4","","1-benzyl-3-((2-(2-nitrobenzoyl)-1H-indol-3-yl)methyl)piperazine-2,5-dione","","- C27 H22 N4 O5 -","- C27 H22 N4 O5 -","- C54 H44 N8 O10 -","2","1","","Sen, Subhabrata; Chauhan, Jyoti; Luthra, Tania; Gundla, Rambabu; Ferraro, Antonio; Holzgrabe, Ulrike","A diversity oriented synthesis of natural product inspired molecular libraries","Org. Biomol. Chem.","2017","","","","","10.1039/C7OB02230A","","","0.71073","MoKα","","0.1294","0.0652","","","0.153","0.1898","","","","","","1.073","","","","has coordinates","201909","2020-10-21","18:00:00",""
"7155920","8.962","0.003","9.634","0.005","20.046","0.011","90","","90","","90","","1730.8","1.4","295","2","295","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","methyl 1-(2-nitrophenyl)-2,3,4,9-tetrahydro-1H-pyrido[3,4-b]indole-3-carboxylate","","- C19 H17 N3 O4 -","- C19 H17 N3 O4 -","- C76 H68 N12 O16 -","4","1","","Sen, Subhabrata; Chauhan, Jyoti; Luthra, Tania; Gundla, Rambabu; Ferraro, Antonio; Holzgrabe, Ulrike","A diversity oriented synthesis of natural product inspired molecular libraries","Org. Biomol. Chem.","2017","","","","","10.1039/C7OB02230A","","","0.71073","MoKα","","0.0689","0.0483","","","0.1121","0.1345","","","","","","1.092","","","","has coordinates","201909","2020-10-21","18:00:00",""
"7155921","5.7984","0.0001","7.8542","0.0002","33.8291","0.0008","90","","90","","90","","1540.64","0.06","100","2","100","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","benzyl 6-deoxy-2,3-O-(1-methylethylidene)-?-D-mannofuranoside","","- C16 H22 O5 -","- C16 H22 O5 -","- C64 H88 O20 -","4","1","","Mirabella, Stefania; Fibbi, Giulia; Matassini, Camilla; Faggi, Cristina; Goti, Andrea; Cardona, Francesca","Accessing 2-substituted piperidine iminosugars by organometallic addition/intramolecular reductive amination: aldehyde vs nitrone route","Org. Biomol. Chem.","2017","","","","","10.1039/C7OB01848G","","x-ray","1.54178","CuKα","","0.0576","0.0497","","","0.1229","0.1323","","","","","","1.149","","","","has coordinates","201938","2020-10-21","18:00:00",""
"7155922","5.5","0.0002","9.816","0.0003","18.586","0.0006","90","","90","","90","","1003.42","0.06","100","2","100","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","(2S,3R,4S,5R)-3-hydroxy-4,5-O-(1-methylethylidene)-2-methyl-piperidine","","- C9 H17 N O3 -","- C9 H17 N O3 -","- C36 H68 N4 O12 -","4","1","","Mirabella, Stefania; Fibbi, Giulia; Matassini, Camilla; Faggi, Cristina; Goti, Andrea; Cardona, Francesca","Accessing 2-substituted piperidine iminosugars by organometallic addition/intramolecular reductive amination: aldehyde vs nitrone route","Org. Biomol. Chem.","2017","","","","","10.1039/C7OB01848G","","x-ray","1.54178","CuKα","","0.0541","0.0384","","","0.0828","0.0882","","","","","","0.984","","","","has coordinates","201938","2020-10-21","18:00:00",""
"7155923","9.6708","0.0008","24.094","0.002","15.4897","0.0014","90","","92.783","0.004","90","","3605","0.5","103","2","103","2","","","","","","","","7","P 1 21 1","P 2yb","4","","","","- C30.5 H28.5 Br Cl7.5 N O6 S -","- C30.5 H28.5 Br Cl7.5 N O6 S -","- C122 H114 Br4 Cl30 N4 O24 S4 -","4","2","","Dai, Lu; Hou, Yuxuan; Zhang, Lvye; Chen, Zhangtao; Zeng, Xiaofei; Zhong, Guofu","Construction of Tetrahydropyranoquinoline Derivatives via an Asymmetric Organocatalytic aza-Michael-IED/HAD Cascade Reaction","Org. Biomol. Chem.","2017","","","","","10.1039/C7OB02231J","","","0.71073","MoKα","","0.0744","0.0576","","","0.1143","0.1217","","","","","","1.07","","","","has coordinates,has disorder","201966","2020-10-21","18:00:00",""
"7155924","11.213","0.0004","13.1574","0.0005","14.6972","0.0004","90","","95.529","0.002","90","","2158.25","0.13","173","2","173","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C48 H51 N3 O8 S2 -","- C48 H51 N3 O8 S2 -","- C96 H102 N6 O16 S4 -","2","1","","Dai, Lu; Hou, Yuxuan; Zhang, Lvye; Chen, Zhangtao; Zeng, Xiaofei; Zhong, Guofu","Construction of Tetrahydropyranoquinoline Derivatives via an Asymmetric Organocatalytic aza-Michael-IED/HAD Cascade Reaction","Org. Biomol. Chem.","2017","","","","","10.1039/C7OB02231J","","","0.71073","MoKα","","0.0711","0.0483","","","0.1202","0.1578","","","","","","1.11","","","","has coordinates","201966","2020-10-21","18:00:00",""
"7155925","7.368","0.003","10.812","0.003","22.597","0.005","90","","95.146","0.017","90","","1792.9","1","123","","123","","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","4-(4-bromo[2.2]paracyclophan-5-yldiazenyl)morpholine","","- C20 H22 Br N3 O -","- C20 H22 Br N3 O -","- C80 H88 Br4 N12 O4 -","4","1","","Rowlands, Gareth J.; Jayasundera, Krishanthi P.; Engels, Tim G. W.; Lun, David J.; Mungalpara, Maulik N.; Plieger, Paul","The synthesis of planar chiral pseudo-gem aminophosphine pre-ligands based on [2.2]paracyclophane","Org. Biomol. Chem.","2017","","","","","10.1039/C7OB02393F","","","1.54187","CuKα","","0.0562","0.0495","","","0.1139","0.1228","","","","","","1.112","","","","has coordinates","201967","2020-10-21","18:00:00",""
"7155926","9.9567","0.0006","26.208","0.002","11.6346","0.0009","90","","109.833","0.008","90","","2855.9","0.4","291.8","0.5","291.8","0.5","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C17 H12 F2 O2 -","- C17 H12 F2 O2 -","- C136 H96 F16 O16 -","8","2","","Zhu, Mei; Fu, Weijun; Wang, Zhiqiang; Xu, Chen; Ji, Baoming","Visible-light-mediated direct difluoromethylation of alkynoates: Synthesis of 3-difluoromethylated coumarins","Org. Biomol. Chem.","2017","","","","","10.1039/C7OB02366A","","x-ray","0.71073","MoKα","","0.106","0.0663","","","0.1567","0.1711","","","","","","1.048","","","","has coordinates","201968","2020-10-21","18:00:00",""
"7155927","7.6418","0.0004","9.229","0.0005","16.4366","0.001","96.591","0.002","93.902","0.002","105.608","0.002","1103.14","0.11","296","2","296","2","","","","","","","","4","P -1","-P 1","2","","","","- C13 H9 Br N2 -","- C13 H9 Br N2 -","- C52 H36 Br4 N8 -","4","2","","Liu, Yun; Wang, Wenhui; Han, Junwen; Sun, Jinwei Wei","Cu(II)-promoted Tandem Decarboxylative Halogenation and Oxidative Diamination Reaction of 2-Aminopyridines with Alkynoic Acids for the Synthesis of 2-Haloimidazo[1,2-a]pyridines","Org. Biomol. Chem.","2017","","","","","10.1039/C7OB02014G","","","0.71073","MoKα","","0.0485","0.0335","","","0.0736","0.0773","","","","","","1.032","","","","has coordinates","202094","2020-10-21","18:00:00",""
"7155928","8.1396","0.0011","9.5365","0.0013","13.2564","0.0018","108.241","0.002","99.899","0.002","103.051","0.002","918.7","0.2","294","2","294","2","","","","","","","","5","P -1","-P 1","2","","","","- C23 H15 F N2 O3 -","- C23 H15 F N2 O3 -","- C46 H30 F2 N4 O6 -","2","1","","Malapaka, Chandrasekharam; Botla, Vinayak; Navyasree, Pilli","Iron (III)-catalyzed chelation assisted remote C-H bond oxygenation of 8-amidoquinolines.","Org. Biomol. Chem.","2017","","","","","10.1039/C7OB02159C","","","0.71073","MoKα","","0.0778","0.0586","","","0.129","0.1385","","","","","","1.095","","","","has coordinates","202095","2020-10-21","18:00:00",""
"7155929","6.2656","0.0006","6.3728","0.0004","11.8196","0.0012","90","","100.172","0.007","90","","464.53","0.07","295","2","295","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","4,8‒Dibromo‒4,8‒difluorotricyclo[5.1.0.0^3,5^]octane","","- C8 H8 Br2 F2 -","- C8 H8 Br2 F2 -","- C16 H16 Br4 F4 -","2","0.5","","Sedenkova, Kseniya N.; Averina, Elena B.; Grishin, Y K.; Kolodjashnaja, Julia V.; Rybakov, Victor B.; Kuznetsova, Tamara S.; Hughes, Audrey; Gomes, Gabriel dos Passos; Alabugin, Igor; Zefirov, Nikolay S.","Substituent effects on stereoselectivity of dihalocarbene reactions with cyclohexadiene and on the reactivity of bis-dihalocyclopropanes in electrophilic nitrations on route to pyrimidine N-oxides","Org. Biomol. Chem.","2017","","","","","10.1039/C7OB02463K","","","0.71073","MoKα","","0.0778","0.0615","","","0.14","0.1463","","","","","","0.938","","","","has coordinates","202096","2020-10-21","18:00:00",""
"7155931","6.1907","0.0001","15.2739","0.0003","17.2701","0.0003","90","","90","","90","","1632.99","0.05","290","2","290","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C17 H15 Br2 N O2 -","- C17 H15 Br2 N O2 -","- C68 H60 Br8 N4 O8 -","4","1","","Jiang, Hua-Jie; Liu, Kun; Wang, Jing; Li, Na; Yu, Jie","Brønsted Acids of Anionic Chiral Co(III) Complexes as Catalysts for the Stereoselective Synthesis of cis-4-Aminofuranobenzopyrans","Org. Biomol. Chem.","2017","","","","","10.1039/C7OB02452E","","","1.54184","CuKα","","0.0472","0.0466","","","0.1233","0.1244","","","","","","1.059","","","","has coordinates","202146","2020-10-21","18:00:00",""
"7155932","27.2206","0.0007","8.3665","0.0002","13.1113","0.0003","90","","114.033","0.001","90","","2727.13","0.12","150","2","150","2","","","","","","","synthesized by the authors","6","C 1 2 1","C 2y","5","","","","- C27 H26 F N3 O7 S -","- C27 H26 F N3 O7 S -","- C108 H104 F4 N12 O28 S4 -","4","1","","Urban, Michal; Franc, Michael; Hofmanova, Marketa; Cisarova, Ivana; Vesely, Jan","The Enantioselective Addition of 1-Fluoro-1-nitro(phenylsulfonyl)methane to Isatin-Derived Ketimines","Org. Biomol. Chem.","2017","","","","","10.1039/C7OB02408H","","","1.54178","CuKα","","0.0262","0.0258","","","0.0674","0.0677","","","","","","1.041","","","","has coordinates","202171","2020-10-21","18:00:00",""
"7155933","7.4367","0.0005","11.0255","0.0008","13.3188","0.0009","90","","90","","90","","1092.05","0.13","296","2","296","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C13 H12 N2 O -","- C13 H12 N2 O -","- C52 H48 N8 O4 -","4","1","","Liu, Shuai; Zu, Weisai; Zhang, Jinli; Xu, Liang","Chemoselective N-arylation of Aminobenzamides via Copper Catalysed Chan−Evans−Lam Reactions","Org. Biomol. Chem.","2017","","","","","10.1039/C7OB02491F","","","0.71073","MoKα","","0.0454","0.0363","","","0.0931","0.1019","","","","","","0.832","","","","has coordinates","205752","2020-10-21","18:00:00",""
"7155934","8.683","0.00016","10.2079","0.0002","27.0713","0.0006","90","","90","","90","","2399.47","0.08","100","2","100","2","","","","","","","","7","P 21 21 21","P 2ac 2ab","19","[Cu(DPA-Ph)(H2O)(OTf)](OTf)","","","- C20 H19 Cu F6 N3 O7 S2 -","- C20 H19 Cu F6 N3 O7 S2 -","- C80 H76 Cu4 F24 N12 O28 S8 -","4","1","","Wang, Yang; Liu, Haixiong; Zhang, Xiaofeng; Zhang, Zilong; Huang, Deguang","Experimental and mechanistic insights into copper(ii)‒dioxygen catalyzed oxidative N-dealkylation of N-(2-pyridylmethyl)phenylamine and its derivatives","Org. Biomol. Chem.","2017","","","","","10.1039/C7OB02192E","","","1.54184","CuKα","","0.0251","0.0232","","","0.0589","0.0602","","","","","","1.033","","","","has coordinates","202265","2020-10-21","18:00:00",""
"7155935","10.0986","0.0012","13.5819","0.0014","15.2704","0.0016","68.475","0.01","72.79","0.01","73.322","0.01","1823.2","0.4","100","2","100","2","","","","","","","","7","P -1","-P 1","2","[Cu(DPA-Ph)(PyCH2NHCH2Ph)(OTf)](OTf)","","","- C33 H31 Cu F6 N5 O6 S2 -","- C33 H31 Cu F6 N5 O6 S2 -","- C66 H62 Cu2 F12 N10 O12 S4 -","2","1","","Wang, Yang; Liu, Haixiong; Zhang, Xiaofeng; Zhang, Zilong; Huang, Deguang","Experimental and mechanistic insights into copper(ii)‒dioxygen catalyzed oxidative N-dealkylation of N-(2-pyridylmethyl)phenylamine and its derivatives","Org. Biomol. Chem.","2017","","","","","10.1039/C7OB02192E","","","1.54184","CuKα","","0.1586","0.1146","","","0.3084","0.322","","","","","","1.096","","","","has coordinates,has disorder","202265","2020-10-21","18:00:00",""
"7155936","10.1705","0.0004","12.0872","0.0004","14.4087","0.0006","93.643","0.003","110.216","0.004","95.074","0.003","1647.26","0.12","100","2","100","2","","","","","","","","7","P -1","-P 1","2","[Cu(DPA-Me)2](OTf)2","","","- C28 H30 Cu F6 N6 O6 S2 -","- C28 H30 Cu F6 N6 O6 S2 -","- C56 H60 Cu2 F12 N12 O12 S4 -","2","1","","Wang, Yang; Liu, Haixiong; Zhang, Xiaofeng; Zhang, Zilong; Huang, Deguang","Experimental and mechanistic insights into copper(ii)‒dioxygen catalyzed oxidative N-dealkylation of N-(2-pyridylmethyl)phenylamine and its derivatives","Org. Biomol. Chem.","2017","","","","","10.1039/C7OB02192E","","","1.54184","CuKα","","0.0629","0.0581","","","0.1854","0.1872","","","","","","1.144","","","","has coordinates","202265","2020-10-21","18:00:00",""
"7155937","13.4993","0.0003","8.9437","0.0002","20.9454","0.0005","90","","100.521","0.002","90","","2486.3","0.1","100","2","100","2","","","","","","","","7","P 1 21/n 1","-P 2yn","14","[Cu(DPA-Ph)(PyCOO)](OTf)","","","- C25 H21 Cu F3 N4 O5 S -","- C25 H21 Cu F3 N4 O5 S -","- C100 H84 Cu4 F12 N16 O20 S4 -","4","1","","Wang, Yang; Liu, Haixiong; Zhang, Xiaofeng; Zhang, Zilong; Huang, Deguang","Experimental and mechanistic insights into copper(ii)‒dioxygen catalyzed oxidative N-dealkylation of N-(2-pyridylmethyl)phenylamine and its derivatives","Org. Biomol. Chem.","2017","","","","","10.1039/C7OB02192E","","","1.54184","CuKα","","0.0609","0.0477","","","0.1274","0.136","","","","","","1.062","","","","has coordinates","202265","2020-10-21","18:00:00",""
"7155938","8.9816","0.0004","10.9461","0.0004","16.4679","0.0009","81.55","0.004","77.177","0.004","87.632","0.003","1561.44","0.13","100","2","100","2","","","","","","","","7","P -1","-P 1","2","[Cu(DPA-Ph)(PyCH2NHCH3)(OTf)](OTf)","","","- C27 H27 Cu F6 N5 O6 S2 -","- C27 H27 Cu F6 N5 O6 S2 -","- C54 H54 Cu2 F12 N10 O12 S4 -","2","1","","Wang, Yang; Liu, Haixiong; Zhang, Xiaofeng; Zhang, Zilong; Huang, Deguang","Experimental and mechanistic insights into copper(ii)‒dioxygen catalyzed oxidative N-dealkylation of N-(2-pyridylmethyl)phenylamine and its derivatives","Org. Biomol. Chem.","2017","","","","","10.1039/C7OB02192E","","","1.54184","CuKα","","0.0521","0.0433","","","0.1125","0.1168","","","","","","1.096","","","","has coordinates","202265","2020-10-21","18:00:00",""
"7155939","18.9625","0.001","8.7607","0.0005","19.5836","0.001","90","","90","","90","","3253.3","0.3","100","2","100","2","","","","","","","","4","P c a 21","P 2c -2ac","29","","","","- C20 H15 N3 O2 -","- C20 H15 N3 O2 -","- C160 H120 N24 O16 -","8","2","","Li, Wenjun; Yuan, Huijun; Gao, Hua; Liu, Kun; Liu, Zhantao; Wang, Jian","Cycloadduct formation of α,β-unsaturated ester with azide catalyzed by NHC systems","Org. Biomol. Chem.","2017","","","","","10.1039/C7OB02469J","","","0.71073","MoKα","","0.125","0.1052","","","0.2594","0.2808","","","","","","1.077","","","","has coordinates","202266","2020-10-21","18:00:00",""
"7155940","9.6369","0.001","12.1697","0.0013","12.3161","0.0012","86.914","0.003","73.831","0.003","85.494","0.003","1382.2","0.2","99","2","99","2","","","","","","","","4","P -1","-P 1","2","","","","- C36 H32 N2 O3 -","- C36 H32 N2 O3 -","- C72 H64 N4 O6 -","2","1","","Liu, Rai-Shung; Sharma, Pankaj; Jadhav, Prakash Daulat; Skaria, Manisha","Stereoselective annulation between an allene, an alkene, and two nitrosoarenes to access bis(isoxazoliodine) derivatives","Org. Biomol. Chem.","2017","","","","","10.1039/C7OB02087B","","","0.71073","MoKα","","0.0479","0.0371","","","0.0856","0.0916","","","","","","1.038","","","","has coordinates","202344","2020-10-21","18:00:00",""
"7155941","9.214","0.0003","10.224","0.0003","14.5971","0.0005","100.117","0.001","95.021","0.001","94.031","0.001","1343.37","0.07","200","2","200","2","","","","","","","","4","P -1","-P 1","2","","","","- C32 H30 N2 O4 -","- C32 H30 N2 O4 -","- C64 H60 N4 O8 -","2","1","","Liu, Rai-Shung; Sharma, Pankaj; Jadhav, Prakash Daulat; Skaria, Manisha","Stereoselective annulation between an allene, an alkene, and two nitrosoarenes to access bis(isoxazoliodine) derivatives","Org. Biomol. Chem.","2017","","","","","10.1039/C7OB02087B","","","0.71073","MoKα","","0.0487","0.0385","","","0.0898","0.098","","","","","","1.001","","","","has coordinates","202344","2020-10-21","18:00:00",""
"7155942","13.7372","0.001","7.3706","0.0005","19.7024","0.0014","90","","106.653","0.004","90","","1911.2","0.2","100","2","100","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C24 H22 N2 O2 -","- C24 H22 N2 O2 -","- C96 H88 N8 O8 -","4","1","","Liu, Rai-Shung; Sharma, Pankaj; Jadhav, Prakash Daulat; Skaria, Manisha","Stereoselective annulation between an allene, an alkene, and two nitrosoarenes to access bis(isoxazoliodine) derivatives","Org. Biomol. Chem.","2017","","","","","10.1039/C7OB02087B","","","0.71073","MoKα","","0.1143","0.0607","","","0.1533","0.1968","","","","","","1.086","","","","has coordinates,has disorder","202344","2020-10-21","18:00:00",""
"7155943","24.087","0.003","9.7374","0.0011","23.807","0.003","90","","107.805","0.004","90","","5316.4","1.1","200","2","200","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C31 H32 N2 O4 -","- C31 H32 N2 O4 -","- C248 H256 N16 O32 -","8","1","","Liu, Rai-Shung; Sharma, Pankaj; Jadhav, Prakash Daulat; Skaria, Manisha","Stereoselective annulation between an allene, an alkene, and two nitrosoarenes to access bis(isoxazoliodine) derivatives","Org. Biomol. Chem.","2017","","","","","10.1039/C7OB02087B","","","0.71073","MoKα","","0.1157","0.0567","","","0.1343","0.1691","","","","","","1.078","","","","has coordinates","202344","2020-10-21","18:00:00",""
"7155944","9.8521","0.0003","10.1991","0.0004","16.8567","0.0006","99.88","0.003","95.857","0.003","116.117","0.003","1467.8","0.1","290.81","0.1","290.81","0.1","","","","","","","","3","P -1","-P 1","2","","","","- C40 H37 N -","- C40 H37 N -","- C80 H74 N2 -","2","1","","Ferguson, Jayne L.; Squire, Marie A.; Fitchett, Christopher M.","Photochemical and oxidative cyclisation of tetraphenylpyrroles","Org. Biomol. Chem.","2017","","","","","10.1039/C7OB02537H","","","1.54184","CuKα","","0.0446","0.0407","","","0.1072","0.1105","","","","","","1.02","","","","has coordinates,has disorder","202345","2020-10-21","18:00:00",""
"7155945","9.9632","0.0003","11.2079","0.0003","11.9471","0.0004","64.541","0.002","74.712","0.002","75.154","0.002","1146.17","0.06","296","2","296.15","","","","","","","","","4","P -1","-P 1","2","","","","- C30 H17 Cl4 N -","- C30 H17 Cl4 N -","- C60 H34 Cl8 N2 -","2","1","","Ferguson, Jayne L.; Squire, Marie A.; Fitchett, Christopher M.","Photochemical and oxidative cyclisation of tetraphenylpyrroles","Org. Biomol. Chem.","2017","","","","","10.1039/C7OB02537H","","","0.71073","MoKα","","0.0731","0.0391","","","0.0923","0.1095","","","","","","1.017","","","","has coordinates","202345","2020-10-21","18:00:00",""
"7155946","10.1062","0.0002","13.119","0.0003","18.1079","0.0004","90","","97.158","0.002","90","","2382.09","0.09","287.84","0.1","287.84","0.1","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C35 H25 N -","- C35 H25 N -","- C140 H100 N4 -","4","1","","Ferguson, Jayne L.; Squire, Marie A.; Fitchett, Christopher M.","Photochemical and oxidative cyclisation of tetraphenylpyrroles","Org. Biomol. Chem.","2017","","","","","10.1039/C7OB02537H","","","1.54184","CuKα","","0.0548","0.0418","","","0.1039","0.1131","","","","","","1.038","","","","has coordinates","202345","2020-10-21","18:00:00",""
"7155947","10.2655","0.0005","11.633","0.0005","12.7175","0.0006","109.469","0.004","101.265","0.004","91.218","0.004","1398.14","0.12","120","0.1","120","0.1","","","","","","","","3","P -1","-P 1","2","","","","- C39 H33 N -","- C39 H33 N -","- C78 H66 N2 -","2","1","","Ferguson, Jayne L.; Squire, Marie A.; Fitchett, Christopher M.","Photochemical and oxidative cyclisation of tetraphenylpyrroles","Org. Biomol. Chem.","2017","","","","","10.1039/C7OB02537H","","","1.54184","CuKα","","0.0515","0.0441","","","0.1146","0.1214","","","","","","1.04","","","","has coordinates","202345","2020-10-21","18:00:00",""
"7155948","5.95712","0.00011","24.7533","0.0005","22.292","0.0004","90","","94.0305","0.0017","90","","3279.01","0.11","120.01","0.1","120.01","0.1","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C45 H39 N -","- C45 H39 N -","- C180 H156 N4 -","4","1","","Ferguson, Jayne L.; Squire, Marie A.; Fitchett, Christopher M.","Photochemical and oxidative cyclisation of tetraphenylpyrroles","Org. Biomol. Chem.","2017","","","","","10.1039/C7OB02537H","","","1.54184","CuKα","","0.0668","0.0599","","","0.148","0.1537","","","","","","1.042","","","","has coordinates","202345","2020-10-21","18:00:00",""
"7155950","13.379","0.005","9.939","0.003","15.142","0.005","90","","91.1","0.008","90","","2013.1","1.2","293","2","293","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C27 H25 N O -","- C27 H25 N O -","- C108 H100 N4 O4 -","4","1","","Shi, Min; Wei, Yin; Zhang, Xiao-Yu","Copper(I)-catalyzed carbocyclization of acrylamide-tethered alkylidenecyclopropanes with diaryliodonium salts","Org. Biomol. Chem.","2017","","","","","10.1039/C7OB02502E","","","0.71073","MoKα","","0.0757","0.053","","","0.122","0.1342","","","","","","1.031","","","","has coordinates","202398","2020-10-21","18:00:00",""
"7155951","9.1032","0.0015","14.843","0.002","19.069","0.003","94.1","0.004","101.55","0.004","104.178","0.003","2427.7","0.6","293","2","293","2","","","","","","","","4","P -1","-P 1","2","","","","- C32 H27 N O -","- C32 H27 N O -","- C128 H108 N4 O4 -","4","2","","Shi, Min; Wei, Yin; Zhang, Xiao-Yu","Copper(I)-catalyzed carbocyclization of acrylamide-tethered alkylidenecyclopropanes with diaryliodonium salts","Org. Biomol. Chem.","2017","","","","","10.1039/C7OB02502E","","","0.71073","MoKα","","0.1052","0.0641","","","0.1494","0.1722","","","","","","1.009","","","","has coordinates","202398","2020-10-21","18:00:00",""
"7155952","9.6623","0.0018","15.496","0.003","16.311","0.003","83.237","0.003","82.104","0.003","76.194","0.003","2340","0.8","293","2","293","2","","","","","","","","4","P -1","-P 1","2","","","","- C29 H27 N4 O -","- C29 H27 N4 O -","- C116 H108 N16 O4 -","4","2","","Subbarayappa, Adimurthy; Samanta, Supravat; Ravi, Chitrakar; Sadu, Nageswararao; Joshi, Abhisek","Visible- Light-Promoted Selective C‒H Amination of Heteroarenes with Heteroaromatic Amines under Metal-Free Conditions","Org. Biomol. Chem.","2017","","","","","10.1039/C7OB02504A","","","0.71073","MoKα","","0.094","0.0775","","","0.2181","0.2342","","","","","","1.023","","","","has coordinates","206489","2020-10-21","18:00:00",""
"7155953","35.4337","0.0015","35.4337","0.0015","9.6326","0.0004","90","","90","","120","","10473.9","0.8","109.6","","109.6","","","","","","","","","4","R -3","-R 3","148","6H,8H-pyrimido[2,1-a:4,3-a']diisoquinoline-6-thione","","","- C28.33 H30 N2 S -","- C28.3333 H30 N2 S -","- C510 H540 N36 S18 -","18","","","He, Wei; Zhuang, Junpeng; Du, Hongguang; Yang, Zhanhui; Xu, Jiaxi","Stereochemistry and mechanistic insights in the [2t + 2i + 2i] annulations of thioketenes and imines","Org. Biomol. Chem.","2017","","","","","10.1039/C7OB02212C","","","0.7107","MoKα","","0.0575","0.0465","","","0.106","0.1125","","","","","","1.051","","","","has coordinates,has disorder","202400","2020-10-21","18:00:00",""
"7155954","37.951","0.003","24.115","0.002","9.5003","0.0006","90","","90","","90","","8694.6","1.1","293","2","293","2","","","","","","","","4","F d d 2","F 2 -2d","43","","","","- C27 H21 N O3 -","- C27 H21 N O3 -","- C432 H336 N16 O48 -","16","1","","Chaudhari, Tohasib Yusub; Ginotra, Sandeep K.; Tandon, Vibha","Facile access to functionalized indenes and fused quinolines by regioselective 5-enolexo-dig Michael addition and cyclization reactions","Org. Biomol. Chem.","2017","","","","","10.1039/C7OB02498C","","","0.71073","MoKα","","0.0947","0.066","","","0.1385","0.1609","","","","","","1.031","","","","has coordinates","202469","2020-10-21","18:00:00",""
"7155955","8.6045","0.0003","21.7424","0.0007","10.3736","0.0004","90","","109.45","0.004","90","","1829.97","0.12","293","2","293","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C22 H17 O3 P -","- C22 H17 O3 P -","- C88 H68 O12 P4 -","4","1","","Li, Qingrui; Zhao, Xiuli; Li, Yabo; Huang, Mengmeng; Kim, Jung Keun; Wu, Yangjie","Regioselective Phosphinylation of Coumarins under Green LED Irradiation and Mechanism Study","Org. Biomol. Chem.","2017","","","","","10.1039/C7OB02478A","","x-ray","1.54184","CuKα","","0.0531","0.0432","","","0.1132","0.1228","","","","","","1.037","","","","has coordinates,has disorder","202470","2020-10-21","18:00:00",""
"7155956","8.9064","0.0008","11.4166","0.0009","12.9485","0.0012","108.992","0.005","90.76","0.005","104.392","0.005","1199.49","0.19","296","2","296.15","","","","","","","","","4","P -1","-P 1","2","","","","- C24 H14 Cl3 N3 -","- C24 H14 Cl3 N3 -","- C48 H28 Cl6 N6 -","2","1","","Liu, Liangxian; Huang, Panpan; Peng, Xiangjun; Hu, Dan; Liao, Huiwu; Tang, Shaobin","Regioselective synthesis of 2,3′-biindoles mediated by an NBS-induced homo-coupling of indoles","Org. Biomol. Chem.","2017","","","","","10.1039/C7OB02312J","","","0.71073","MoKα","","0.12","0.0813","","","0.2677","0.2951","","","","","","1.106","","","","has coordinates","202471","2020-10-21","18:00:00",""
"7155957","7.1025","0.0004","17.9372","0.0015","11.9529","0.0009","90","","90","","90","","1522.79","0.19","100","0.1","100","0.1","","","","","","","","5","P n a 21","P 2c -2n","33","","N-(2-(2,4-dioxo-2H-benzo[d][1,3]oxazin-1(4H)-yl)ethyl)-N,N-dimethylethynaminium bromide","","- C15 H17 Br N2 O3 -","- C15 H17 Br N2 O3 -","- C60 H68 Br4 N8 O12 -","4","1","","Fessler, Adam B.; Garmon, Corey B.; Heavey, Thomas; Fowler, Anthony John; Ogle, Craig","Water-soluble and UV traceable isatoic anhydride-based reagents for bioconjugation","Organic & Biomolecular Chemistry","2017","","","","","10.1039/C7OB02377D","","","1.54184","CuKα","","0.064","0.0469","","","0.1055","0.117","","","","","","1.061","","","","has coordinates","202886","2020-10-21","18:00:00",""
"7155958","5.732","0.005","9.388","0.005","14.303","0.005","92.462","0.005","94.667","0.005","104.905","0.005","739.7","0.8","293","2","293","2","","","","","","","","3","P -1","-P 1","2","","","","- C20 H16 O2 -","- C20 H16 O2 -","- C40 H32 O4 -","2","1","","Dhevalapally, Ramachary Buchi; T., Prabhakar Reddy; Adaveni, Suresh Kumar","Organocatalytic umpolung annulative dimerization of ynones for the synthesis of 5-alkylidene-2-cyclopentenones","Organic & Biomolecular Chemistry","2017","","","","","10.1039/C7OB02424J","","","0.71073","MoKα","","0.1555","0.0752","","","0.1742","0.2168","","","","","","0.999","","","","has coordinates","202946","2020-10-21","18:00:00",""
"7155959","8.3805","0.0007","8.9419","0.0008","9.0849","0.0007","103.317","0.003","107.305","0.003","98.863","0.004","614.08","0.09","100","1","100","1","","","","","","","","4","P -1","-P 1","2","","","","- C12 H14 N6 O -","- C12 H14 N6 O -","- C24 H28 N12 O2 -","2","1","","Frongia, Angelo; Aitken, David J.; Boddaert, Thomas; Ghisu, Lorenza; Arca, Massimiliano; Secci, Francesco; Caboni, P.; Guillot, Régis; Melis, Nicola","Synthesis of 2,2-bis(pyridin-2-yl amino)cyclobutanols and their conversion into 5-(pyridin-2-ylamino)dihydrofuran-2(3H)-ones","Organic & Biomolecular Chemistry","2017","","","","","10.1039/C7OB02567J","","","0.71073","MoKα","","0.153","0.0458","","","0.0671","0.077","","","","","","0.869","","","","has coordinates","202996","2020-10-21","18:00:00",""
"7155960","15.2929","0.0005","4.803","0.0001","17.5928","0.0006","90","","92.928","0.002","90","","1290.54","0.07","293","2","293","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C15 H10 Cl2 N2 -","- C15 H10 Cl2 N2 -","- C60 H40 Cl8 N8 -","4","1","","Aegurla, Balakrishna; Peddinti, Rama Krishna","The diaza-Nazarov cyclization involving a 2,3-diaza-pentadienyl cation for the synthesis of polysubstituted pyrazoles","Organic & Biomolecular Chemistry","2017","","","","","10.1039/C7OB01949A","","","0.71073","MoKα","","0.0429","0.0282","","","0.0733","0.0884","","","","","","0.817","","","","has coordinates","202997","2020-10-21","18:00:00",""
"7155961","6.8629","0.0008","13.3106","0.0007","17.3781","0.0011","107.076","0.005","91.166","0.007","91.431","0.007","1516.4","0.2","297","2","297","2","","","","","","","","4","P -1","-P 1","2","","","","- C30 H52 N6 O3 -","- C30 H52 N6 O3 -","- C60 H104 N12 O6 -","2","1","","Rayavarapu, Suresh; Kheria, Sanjeev; Shinde, Dinesh R.; Gonnade, Rajesh G.; Sanjayan, G. J.","A Modular Approach Towards Functionalized Highly Stable Self-complementary Quadruple Hydrogen Bonded Systems","Organic & Biomolecular Chemistry","2017","","","","","10.1039/C7OB02358H","","","0.71073","MoKα","","0.1738","0.0933","","","0.224","0.2848","","","","","","1.037","","","","has coordinates,has disorder","203032","2020-10-21","18:00:00",""
"7155962","8.5829","0.0013","9.4082","0.0014","19.835","0.003","91.627","0.004","102.132","0.004","101.559","0.005","1530","0.4","100","2","100","2","","","","","","","","4","P -1","-P 1","2","","","","- C27 H52 N6 O6 -","- C27 H52 N6 O6 -","- C54 H104 N12 O12 -","2","1","","Rayavarapu, Suresh; Kheria, Sanjeev; Shinde, Dinesh R.; Gonnade, Rajesh G.; Sanjayan, G. J.","A Modular Approach Towards Functionalized Highly Stable Self-complementary Quadruple Hydrogen Bonded Systems","Organic & Biomolecular Chemistry","2017","","","","","10.1039/C7OB02358H","","","0.71073","MoKα","","0.1043","0.0798","","","0.1639","0.1742","","","","","","1.164","","","","has coordinates,has disorder","203032","2020-10-21","18:00:00",""
"7155963","9.3827","0.0004","11.1","0.0006","16.5626","0.0009","73.523","0.002","84.484","0.002","73.317","0.002","1584.29","0.14","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","","","- C31 H42 Cl2 N6 O3 -","- C31 H42 Cl2 N6 O3 -","- C62 H84 Cl4 N12 O6 -","2","1","","Rayavarapu, Suresh; Kheria, Sanjeev; Shinde, Dinesh R.; Gonnade, Rajesh G.; Sanjayan, G. J.","A Modular Approach Towards Functionalized Highly Stable Self-complementary Quadruple Hydrogen Bonded Systems","Organic & Biomolecular Chemistry","2017","","","","","10.1039/C7OB02358H","","","0.71073","MoKα","","0.0866","0.0674","","","0.167","0.181","","","","","","1.028","","","","has coordinates","203032","2020-10-21","18:00:00",""
"7155964","8.7851","0.0018","10.557","0.002","13.269","0.003","100.21","0.03","97.69","0.03","111.07","0.03","1103.7","0.5","298","2","298","2","","","","","","","","4","P -1","-P 1","2","","","","- C25 H31 N3 O3 -","- C25 H31 N3 O3 -","- C50 H62 N6 O6 -","2","1","","Shiri, Morteza; Ranjbar, Maryam; Yasaei, Zahra; Zamanian, Fatemeh; Notash, Behrouz","Palladium-catalyzed tandem reaction of 2-chloroquinoline-3-carbaldehydes and isocyanides","Organic & Biomolecular Chemistry","2017","","","","","10.1039/C7OB02043K","","","0.71073","MoKα","","0.2494","0.0818","","","0.1272","0.1729","","","","","","0.814","","","","has coordinates","203033","2020-10-21","18:00:00",""
"7155965","15.937","0.003","8.9523","0.0018","12.934","0.003","90","","112.46","0.03","90","","1705.4","0.7","298","2","298","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C21 H20 N2 O2 -","- C21 H20 N2 O2 -","- C84 H80 N8 O8 -","4","1","","Shiri, Morteza; Ranjbar, Maryam; Yasaei, Zahra; Zamanian, Fatemeh; Notash, Behrouz","Palladium-catalyzed tandem reaction of 2-chloroquinoline-3-carbaldehydes and isocyanides","Organic & Biomolecular Chemistry","2017","","","","","10.1039/C7OB02043K","","","0.71073","MoKα","","0.0866","0.0476","","","0.1072","0.1175","","","","","","0.858","","","","has coordinates","203033","2020-10-21","18:00:00",""
"7155966","6.531","0.003","8.903","0.005","13.722","0.007","101.653","0.009","93.785","0.01","103.989","0.01","752.7","0.7","273","2","273","2","","","","","","","","5","P -1","-P 1","2","","","","- C14 H15 Cl2 N3 O2 -","- C14 H15 Cl2 N3 O2 -","- C28 H30 Cl4 N6 O4 -","2","1","","Singh, Ravi Prakash; Tripathi, Krishna Nand; Ray, Devalina","Pd-Catalyzed Regioselective Intramolecular Dehydrogenative C-5 Cross Coupling in an N-substituted Pyrrole-Azole System","Organic & Biomolecular Chemistry","2017","","","","","10.1039/C7OB02676E","","","0.71073","MoKα","","0.0649","0.0518","","","0.1499","0.1708","","","","","","1.079","","","","has coordinates","203034","2020-10-21","18:00:00",""
"7155967","8.2526","0.0002","8.2526","0.0002","60.866","0.003","90","","90","","90","","4145.3","0.2","150","2","150","2","","","","","","","","4","P 43 21 2","P 4nw 2abw","96","","","","- C19 H28 N2 O7 -","- C19 H28 N2 O7 -","- C152 H224 N16 O56 -","8","1","","Chiu, Din-Chi; Lin, Tzu-Chen; Huang, Wen-I; Cheng, Ting-Jen R.; Tsai, Keng-Chang; Fang, Jim-Min","Peramivir analogues bearing hydrophilic side chains exhibit higher activities against H275Y mutant than wild-type influenza virus","Organic & Biomolecular Chemistry","2017","","","","","10.1039/C7OB02374J","","","1.54178","CuKα","","0.0819","0.075","","","0.2042","0.2107","","","","","","1.088","","","","has coordinates","203035","2020-10-21","18:00:00",""
"7155968","6.0765","0.0002","9.6451","0.0004","11.0698","0.0004","89.902","0.003","75.421","0.003","76.398","0.004","609.14","0.04","150","2","150","2","","","","","","","","4","P 1","P 1","1","","","","- C25 H32 N2 O7 -","- C25 H32 N2 O7 -","- C25 H32 N2 O7 -","1","1","","Chiu, Din-Chi; Lin, Tzu-Chen; Huang, Wen-I; Cheng, Ting-Jen R.; Tsai, Keng-Chang; Fang, Jim-Min","Peramivir analogues bearing hydrophilic side chains exhibit higher activities against H275Y mutant than wild-type influenza virus","Organic & Biomolecular Chemistry","2017","","","","","10.1039/C7OB02374J","","","1.54178","CuKα","","0.0361","0.0342","","","0.0903","0.0932","","","","","","1.032","","","","has coordinates","203035","2020-10-21","18:00:00",""
"7155969","10.3732","0.0004","16.8818","0.0004","35.8766","0.0011","90","","90","","90","","6282.6","0.3","150","2","150","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C30 H44 N2 O10 -","- C30 H44 N2 O10 -","- C240 H352 N16 O80 -","8","2","","Chiu, Din-Chi; Lin, Tzu-Chen; Huang, Wen-I; Cheng, Ting-Jen R.; Tsai, Keng-Chang; Fang, Jim-Min","Peramivir analogues bearing hydrophilic side chains exhibit higher activities against H275Y mutant than wild-type influenza virus","Organic & Biomolecular Chemistry","2017","","","","","10.1039/C7OB02374J","","","1.54178","CuKα","","0.1223","0.0798","","","0.212","0.2541","","","","","","1.175","","","","has coordinates","203035","2020-10-21","18:00:00",""
"7155970","19.2545","0.0011","15.5146","0.001","13.4314","0.0009","90","","90","","90","","4012.3","0.4","100","1","100","1","","","","","","","","4","P b c n","-P 2n 2ab","60","","","","- C24 H22 N2 O4 -","- C24 H22 N2 O4 -","- C192 H176 N16 O32 -","8","1","","Secci, Francesco; Guillot, Régis; Aitken, David J.; Frongia, Angelo; Arca, Massimiliano; Sarais, Giorgia; Luridiana, Alberto; Martis, Alberto","Acid-Catalyzed Reaction of 2-Hydroxycyclobutanone with Benzylic Alcohols","Organic & Biomolecular Chemistry","2017","","","","","10.1039/C7OB02545A","","","0.71073","MoKα","","0.1268","0.058","","","0.1431","0.1918","","","","","","1.019","","","","has coordinates","203100","2020-10-21","18:00:00",""
"7155971","8.1745","0.0005","10.1237","0.0006","20.5314","0.0012","90","","90","","90","","1699.1","0.18","100","2","100","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C15 H22 F3 N O2 S -","- C15 H22 F3 N O2 S -","- C60 H88 F12 N4 O8 S4 -","4","1","","Grellepois, Fabienne; Ben Jamaa, Abdelkhalek; Saraiva Rosa, Nathalie","α-Trifluoromethylated tertiary homoallylic amines: diastereoselective synthesis and conversion into β-aminoesters, γ- and δ-aminoalcohols, azetidines and pyrrolidines","Organic & Biomolecular Chemistry","2017","","","","","10.1039/C7OB02506H","","","1.54178","CuKα","","0.0312","0.0298","","","0.0751","0.076","","","","","","1.056","","","","has coordinates","203101","2020-10-21","18:00:00",""
"7155972","7.535","0.005","10.972","0.005","9.93","0.005","90","0.005","99.961","0.005","90","0.005","808.6","0.8","100","2","100","2","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C12 H22 F3 N O3 S -","- C12 H22 F3 N O3 S -","- C24 H44 F6 N2 O6 S2 -","2","1","","Grellepois, Fabienne; Ben Jamaa, Abdelkhalek; Saraiva Rosa, Nathalie","α-Trifluoromethylated tertiary homoallylic amines: diastereoselective synthesis and conversion into β-aminoesters, γ- and δ-aminoalcohols, azetidines and pyrrolidines","Organic & Biomolecular Chemistry","2017","","","","","10.1039/C7OB02506H","","","1.54178","CuKα","","0.0238","0.0234","","","0.0626","0.0628","","","","","","1.075","","","","has coordinates","203101","2020-10-21","18:00:00",""
"7155973","9.6709","0.0005","9.6709","0.0005","12.3901","0.0006","90","","90","","120","","1003.55","0.09","101","2","101","2","","","","","","","","6","P 31","P 31","144","","","","- C10 H18 F3 N O S -","- C10 H18 F3 N O S -","- C30 H54 F9 N3 O3 S3 -","3","1","","Grellepois, Fabienne; Ben Jamaa, Abdelkhalek; Saraiva Rosa, Nathalie","α-Trifluoromethylated tertiary homoallylic amines: diastereoselective synthesis and conversion into β-aminoesters, γ- and δ-aminoalcohols, azetidines and pyrrolidines","Organic & Biomolecular Chemistry","2017","","","","","10.1039/C7OB02506H","","","1.54178","CuKα","","0.0302","0.0283","","","0.0686","0.0699","","","","","","1.065","","","","has coordinates","203101","2020-10-21","18:00:00",""
"7155974","9.071","0.005","16.862","0.005","19.003","0.005","90","0.005","90","0.005","90","0.005","2907","2","100","2","100","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C11 H22 F3 N O S -","- C11 H22 F3 N O S -","- C88 H176 F24 N8 O8 S8 -","8","2","","Grellepois, Fabienne; Ben Jamaa, Abdelkhalek; Saraiva Rosa, Nathalie","α-Trifluoromethylated tertiary homoallylic amines: diastereoselective synthesis and conversion into β-aminoesters, γ- and δ-aminoalcohols, azetidines and pyrrolidines","Organic & Biomolecular Chemistry","2017","","","","","10.1039/C7OB02506H","","","1.54178","CuKα","","0.0246","0.0231","","","0.0594","0.0601","","","","","","1.05","","","","has coordinates","206489","2020-10-21","18:00:00",""
"7155975","11.039","0.005","12.316","0.005","21.359","0.005","90","0.005","90","0.005","90","0.005","2903.9","1.9","101","2","101","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C11 H20 F3 N O2 S -","- C11 H20 F3 N O2 S -","- C88 H160 F24 N8 O16 S8 -","8","2","","Grellepois, Fabienne; Ben Jamaa, Abdelkhalek; Saraiva Rosa, Nathalie","α-Trifluoromethylated tertiary homoallylic amines: diastereoselective synthesis and conversion into β-aminoesters, γ- and δ-aminoalcohols, azetidines and pyrrolidines","Organic & Biomolecular Chemistry","2017","","","","","10.1039/C7OB02506H","","","1.54178","CuKα","","0.0539","0.0479","","","0.113","0.1171","","","","","","1.063","","","","has coordinates","206489","2020-10-21","18:00:00",""
"7155976","9.212","0.005","9.456","0.005","10.583","0.005","90","0.005","112.258","0.005","90","0.005","853.2","0.8","100","2","100","2","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C16 H24 F3 N O2 S -","- C16 H24 F3 N O2 S -","- C32 H48 F6 N2 O4 S2 -","2","1","","Grellepois, Fabienne; Ben Jamaa, Abdelkhalek; Saraiva Rosa, Nathalie","α-Trifluoromethylated tertiary homoallylic amines: diastereoselective synthesis and conversion into β-aminoesters, γ- and δ-aminoalcohols, azetidines and pyrrolidines","Organic & Biomolecular Chemistry","2017","","","","","10.1039/C7OB02506H","","","1.54178","CuKα","","0.0206","0.0204","","","0.0552","0.0553","","","","","","0.92","","","","has coordinates","203101","2020-10-21","18:00:00",""
"7155977","13.9254","0.0013","17.3264","0.0016","11.0023","0.001","90","","100.865","0.002","90","","2607","0.4","293","2","293","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C14 H16 O4 -","- C14 H16 O4 -","- C112 H128 O32 -","8","2","","Si, Tengda; Li, Bowen; Xiong, Wenrui; Xu, Bin; Tang, Wenjun","Efficient Cross-Coupling of Aryl/Alkenyl Triflates with Acyclic Secondary Alkylboronic Acids","Organic & Biomolecular Chemistry","2017","","","","","10.1039/C7OB02531A","","","0.71073","MoKα","","0.0728","0.0454","","","0.1172","0.1323","","","","","","1.029","","","","has coordinates","203144","2020-10-21","18:00:00",""
"7155978","7.9929","0.0004","9.2895","0.0005","54.987","0.004","90","","90","","90","","4082.8","0.4","100","0.1","100","0.1","","","","","","","Physalis pubescens","3","P 21 21 21","P 2ac 2ab","19","","Withapubeside A","","- C41 H67 O16 -","- C41 H67 O16 -","- C164 H268 O64 -","4","1","","Xia, Guiyang; Yao, Tie; Zhang, Bing-Yang; Li, Yang; Kang, Ning; Cao, Shijie; Ding, Liqin; Chen, Lixia; Qiu, Feng","Withapubesides A‒D, natural inducible nitric oxide synthase (iNOS) inhibitors from Physalis pubescens","Organic & Biomolecular Chemistry","2017","","","","","10.1039/C7OB02551C","","x-ray","1.54184","CuKα","","0.0876","0.0756","","","0.1749","0.1829","","","","","","1.077","","","","has coordinates,has disorder","203145","2020-10-21","18:00:00",""
"7155979","8.5061","0.0002","15.9215","0.0004","9.6417","0.0002","90","","90","","90","","1305.77","0.05","130","0.1","130","0.1","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C6 H9 N O3 -","- C6 H9 N O3 -","- C48 H72 N8 O24 -","8","2","","Alhifthi, Amani; Harris, Benjamin L.; Goerigk, Lars; White, Jonathan; Williams, Spencer J.","Structure-reactivity correlations of the abnormal Beckmann reaction of dihydrolevoglucosenone oxime","Organic & Biomolecular Chemistry","2017","","","","","10.1039/C7OB02499A","","x-ray","0.71073","MoKα","","0.0404","0.036","","","0.0952","0.0977","","","","","","1.081","","","","has coordinates","203212","2020-10-21","18:00:00",""
"7155980","7.3112","0.0002","12.3133","0.0003","13.9596","0.0003","90","","90","","90","","1256.71","0.05","130.01","0.1","130.01","0.1","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C13 H12 N2 O6 -","- C13 H12 N2 O6 -","- C52 H48 N8 O24 -","4","1","","Alhifthi, Amani; Harris, Benjamin L.; Goerigk, Lars; White, Jonathan; Williams, Spencer J.","Structure-reactivity correlations of the abnormal Beckmann reaction of dihydrolevoglucosenone oxime","Organic & Biomolecular Chemistry","2017","","","","","10.1039/C7OB02499A","","x-ray","0.71073","MoKα","","0.0467","0.0379","","","0.1008","0.1077","","","","","","1.083","","","","has coordinates","203212","2020-10-21","18:00:00",""
"7155981","11.6567","0.0005","12.4748","0.0005","17.6511","0.0006","90","","98.457","0.004","90","","2538.83","0.17","130","0.1","130","0.1","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C13 H12 N2 O6 -","- C13 H12 N2 O6 -","- C104 H96 N16 O48 -","8","4","","Alhifthi, Amani; Harris, Benjamin L.; Goerigk, Lars; White, Jonathan; Williams, Spencer J.","Structure-reactivity correlations of the abnormal Beckmann reaction of dihydrolevoglucosenone oxime","Organic & Biomolecular Chemistry","2017","","","","","10.1039/C7OB02499A","","x-ray","0.71073","MoKα","","0.0707","0.0496","","","0.1125","0.124","","","","","","1.036","","","","has coordinates","203212","2020-10-21","18:00:00",""
"7155982","5.9489","0.0001","8.1059","0.0001","22.3033","0.0004","90","","90","","90","","1075.49","0.03","130","0.1","130","0.1","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C12 H13 N O3 -","- C12 H13 N O3 -","- C48 H52 N4 O12 -","4","1","","Alhifthi, Amani; Harris, Benjamin L.; Goerigk, Lars; White, Jonathan; Williams, Spencer J.","Structure-reactivity correlations of the abnormal Beckmann reaction of dihydrolevoglucosenone oxime","Organic & Biomolecular Chemistry","2017","","","","","10.1039/C7OB02499A","","x-ray","1.54184","CuKα","","0.0287","0.0285","","","0.0715","0.0716","","","","","","1.05","","","","has coordinates","203212","2020-10-21","18:00:00",""
"7155983","6.7738","0.0002","11.4773","0.0003","14.8982","0.0004","90","","90","","90","","1158.26","0.06","130","0.1","130","0.1","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C12 H12 N2 O5 -","- C12 H12 N2 O5 -","- C48 H48 N8 O20 -","4","1","","Alhifthi, Amani; Harris, Benjamin L.; Goerigk, Lars; White, Jonathan; Williams, Spencer J.","Structure-reactivity correlations of the abnormal Beckmann reaction of dihydrolevoglucosenone oxime","Organic & Biomolecular Chemistry","2017","","","","","10.1039/C7OB02499A","","x-ray","1.54184","CuKα","","0.033","0.0298","","","0.0759","0.0795","","","","","","1.068","","","","has coordinates","203212","2020-10-21","18:00:00",""
"7155984","19.6367","0.0008","6.268","0.0002","20.8548","0.0012","90","","99.68","0.004","90","","2530.3","0.2","130","0.1","130","0.1","","","","","","","","5","C 1 2 1","C 2y","5","","","","- C13 H14 Br N O3 -","- C13 H14 Br N O3 -","- C104 H112 Br8 N8 O24 -","8","2","","Alhifthi, Amani; Harris, Benjamin L.; Goerigk, Lars; White, Jonathan; Williams, Spencer J.","Structure-reactivity correlations of the abnormal Beckmann reaction of dihydrolevoglucosenone oxime","Organic & Biomolecular Chemistry","2017","","","","","10.1039/C7OB02499A","","x-ray","0.71073","MoKα","","0.0722","0.047","","","0.1006","0.1216","","","","","","1.059","","","","has coordinates","203212","2020-10-21","18:00:00",""
"7155985","5.6704","0.0002","15.6773","0.0006","9.7844","0.0003","90","","90","","90","","869.8","0.05","130.01","0.1","130.01","0.1","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C8 H11 N O4 -","- C8 H11 N O4 -","- C32 H44 N4 O16 -","4","1","","Alhifthi, Amani; Harris, Benjamin L.; Goerigk, Lars; White, Jonathan; Williams, Spencer J.","Structure-reactivity correlations of the abnormal Beckmann reaction of dihydrolevoglucosenone oxime","Organic & Biomolecular Chemistry","2017","","","","","10.1039/C7OB02499A","","x-ray","0.71073","MoKα","","0.0476","0.0401","","","0.1068","0.1112","","","","","","1.071","","","","has coordinates","203212","2020-10-21","18:00:00",""
"7155986","6.27","0.0013","9.456","0.0019","23.6","0.005","90","","90","","90","","1399.2","0.5","100","0.1","100","0.2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C13 H11 N3 O8 -","- C13 H11 N3 O8 -","- C52 H44 N12 O32 -","4","1","","Alhifthi, Amani; Harris, Benjamin L.; Goerigk, Lars; White, Jonathan; Williams, Spencer J.","Structure-reactivity correlations of the abnormal Beckmann reaction of dihydrolevoglucosenone oxime","Organic & Biomolecular Chemistry","2017","","","","","10.1039/C7OB02499A","","","0.71073","synchrotron","","0.0368","0.0339","","","0.0881","0.0906","","","","","","1.081","","","","has coordinates","203212","2020-10-21","18:00:00",""
"7155987","7.06","0.003","11.3973","0.0017","13.353","0.003","70.012","0.019","84.34","0.03","84.46","0.02","1002.5","0.5","293","2","293","2","","","","","","","","4","P -1","-P 1","2","","6-methyl 2-chloro-3-ethynylquinoline","","- C12 H8 Cl N -","- C12 H8 Cl N -","- C48 H32 Cl4 N4 -","4","2","","Singh, Radhey M.; Nandini, Durgesh; Bharadwaj, Kishor Chandra; Gupta, Tanu; Singh, Raj Pal","Na2S mediated synthesis of terminal alkynes from gem-dibromoalkenes","Organic & Biomolecular Chemistry","2017","","","","","10.1039/C7OB02431B","","","0.71073","MoKα","","0.2236","0.0681","","","0.1016","0.1624","","","","","","0.975","","","","has coordinates","203213","2020-10-21","18:00:00",""
"7155988","7.7992","0.0003","9.552","0.0004","9.6675","0.0004","90.026","0.002","112.759","0.0017","93.5164","0.0016","662.65","0.05","100","2","100","2","","","","","","","","6","P -1","-P 1","2","","","","- C28 H29 Cl N4 O4 S2 -","- C28 H29 Cl N4 O4 S2 -","- C28 H29 Cl N4 O4 S2 -","1","0.5","","Wessel, Andrew J.; Schultz, Jason W.; Tang, Fenghzi; Duan, Hui; Mirica, Liviu M.","Improved Synthesis of Symmetrically & Asymmetrically N-Substituted Pyridinophane Derivatives","Organic & Biomolecular Chemistry","2017","","","","","10.1039/C7OB02508D","","","0.71073","MoKα","","0.0651","0.0581","","","0.1312","0.1343","","","","","","1.227","","","","has coordinates,has disorder","203214","2020-10-21","18:00:00",""
"7155989","9.412","0.0007","12.0734","0.0014","13.3979","0.0014","111.486","0.01","93.777","0.007","100.958","0.008","1375.5","0.3","293","2","293","2","","","","","","","","3","P -1","-P 1","2","","","","- C36 H28 S -","- C36 H28 S -","- C72 H56 S2 -","2","1","","Saini, Kapil Mohan; Saunthwal, Rakesh K.; Verma, Akhilesh K.","Pd-Catalyzed One-Pot Sequential Cross-Coupling Reactions of Tetrabromothiophene","Organic & Biomolecular Chemistry","2017","","","","","10.1039/C7OB02601C","","","0.71073","MoKα","","0.1165","0.0916","","","0.2601","0.2968","","","","","","1.077","","","","has coordinates","203328","2020-10-21","18:00:00",""
"7155990","8.8974","0.0002","11.2339","0.0002","15.5141","0.0003","102.767","0.002","96.993","0.002","90.293","0.001","1500.26","0.05","293","2","293","2","","","","","","","","3","P -1","-P 1","2","","","","- C32 H26 O11 -","- C32 H26 O11 -","- C64 H52 O22 -","2","1","","Liu, Zhaoming; Chen, Senhua; Pei, Qiu; Chunbing, Tan; long, yuhua; Lu, Yongjun; She, Zhi-Gang","(+)- and (‒)-Ascomlactone A, a pair of Novel Dimeric Polyketides from a Mangrove Endophytic Fungus Ascomycota sp. SK2YWS-L","Organic & Biomolecular Chemistry","2017","","","","","10.1039/C7OB02707A","","","1.54178","CuKα","","0.0667","0.0623","","","0.1933","0.1977","","","","","","1.07","","","","has coordinates","203439","2020-10-21","18:00:00",""
"7155991","6.32903","0.00009","8.54815","0.00013","23.7167","0.0004","90","","90","","90","","1283.11","0.03","99.97","0.12","99.97","0.12","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C14 H17 N O4 -","- C14 H17 N O4 -","- C56 H68 N4 O16 -","4","1","","Osorio-Nieto, Urbano; Vázquez-Amaya, Laura Y; Höpfl, Herbert; Quintero, Leticia; Sartillo-Piscil, Fernando","The direct and highly diastereoselective synthesis of 3,4-epoxy-2-piperidones. Application to the total synthesis and absolute configurational assignment of 3α,4α-epoxy-5β-pipermethystine.","Organic & biomolecular chemistry","2017","16","1","77","88","10.1039/c7ob02700a","","x-ray","1.54184","CuKα","","0.0306","0.0297","","","0.0735","0.0743","","","","","","1.025","","","","has coordinates","230638","2020-10-21","18:00:00",""
"7155992","9.66134","0.00017","5.45597","0.0001","14.8724","0.0002","90","","93.7727","0.0016","90","","782.25","0.02","291.84","0.1","291.84","0.1","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C17 H19 N O5 -","- C17 H19 N O5 -","- C34 H38 N2 O10 -","2","1","","Osorio-Nieto, Urbano; Vázquez-Amaya, Laura Y; Höpfl, Herbert; Quintero, Leticia; Sartillo-Piscil, Fernando","The direct and highly diastereoselective synthesis of 3,4-epoxy-2-piperidones. Application to the total synthesis and absolute configurational assignment of 3α,4α-epoxy-5β-pipermethystine.","Organic & biomolecular chemistry","2017","16","1","77","88","10.1039/c7ob02700a","","x-ray","1.54184","CuKα","","0.0336","0.0332","","","0.0899","0.0904","","","","","","1.049","","","","has coordinates","230638","2020-10-21","18:00:00",""
"7155993","6.38939","0.00011","7.59037","0.00013","26.8562","0.0005","90","","90","","90","","1302.47","0.04","100","2","100","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C14 H17 N O4 -","- C14 H17 N O4 -","- C56 H68 N4 O16 -","4","1","","Osorio-Nieto, Urbano; Vázquez-Amaya, Laura Y; Höpfl, Herbert; Quintero, Leticia; Sartillo-Piscil, Fernando","The direct and highly diastereoselective synthesis of 3,4-epoxy-2-piperidones. Application to the total synthesis and absolute configurational assignment of 3α,4α-epoxy-5β-pipermethystine.","Organic & biomolecular chemistry","2017","16","1","77","88","10.1039/c7ob02700a","","x-ray","1.54184","CuKα","","0.0308","0.0304","","","0.078","0.0785","","","","","","1.07","","","","has coordinates","230638","2020-10-21","18:00:00",""
"7155994","16.373","0.003","17.935","0.002","18.38","0.003","90","","114.773","0.003","90","","4900.6","1.3","100","2","100","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C44 H56 Cl6 N6 O6 -","- C44 H56 Cl6 N6 O6 -","- C176 H224 Cl24 N24 O24 -","4","1","","D'Amato, A.; Schettini, R.; Della Sala, G.; Costabile, C.; Tedesco, C.; Izzo, I.; De Riccardis, F.","Conformational isomerism in cyclic peptoids and its specification","Organic & Biomolecular Chemistry","2017","","","","","10.1039/C7OB02643A","","","0.71073","MoKα","","0.1733","0.0888","","","0.2278","0.3026","","","","","","0.906","","","","has coordinates","203475","2020-10-21","18:00:00",""
"7155997","24.68","0.0009","24.68","0.0009","101.978","0.005","90","","90","","120","","53793","4","100.01","0.1","100.01","0.1","","","","","","","","3","R -3 :H","-R 3","148","FRP-6","","","- C300 H324 N12 -","- C300 H324 N12 -","- C1800 H1944 N72 -","6","0.333333","","Wang, Xinchang; Peng, Pixian; Xuan, Wei; Wang, Yu; Zhuang, Yongbin; Tian, Zhongqun; Cao, Xiaoyu","Narcissistic chiral self-sorting of molecular face-rotating polyhedra.","Organic & biomolecular chemistry","2017","16","1","34","37","10.1039/c7ob02727c","","","1.54184","CuKα","","0.1743","0.126","","","0.3615","0.4099","","","","","","1.231","","","","has coordinates","230640","2020-10-21","18:00:00",""
"7155998","27.8827","0.0006","27.8827","0.0006","25.2681","0.0005","90","","90","","120","","17012.7","0.6","150","0.1","150","0.1","","","","","","","","3","P -3","-P 3","147","FRP-7","","","- C252 H324 N12 -","- C252 H324 N12 -","- C504 H648 N24 -","2","0.333333","","Wang, Xinchang; Peng, Pixian; Xuan, Wei; Wang, Yu; Zhuang, Yongbin; Tian, Zhongqun; Cao, Xiaoyu","Narcissistic chiral self-sorting of molecular face-rotating polyhedra.","Organic & biomolecular chemistry","2017","16","1","34","37","10.1039/c7ob02727c","","x-ray","1.54184","CuKα","","0.1242","0.0971","","","0.2951","0.3293","","","","","","1.108","","","","has coordinates","230640","2020-10-21","18:00:00",""
"7155999","14.3715","0.0005","14.9202","0.0005","19.0907","0.0006","90","","90","","90","","4093.5","0.2","100","2","100","2","","","","","","","synthesis as described","5","P b c a","-P 2ac 2ab","61","","6,7-dihydro-4-nitro-6-[(1-phenyl-2-methyl)propyl]-dibenzo[d,f][1,2]thiazepine 5,5-dioxide","","- C23 H22 N2 O4 S -","- C23 H22 N2 O4 S -","- C184 H176 N16 O32 S8 -","8","1","","Balgobin, Sinead M. C.; Brookes, Dominic J.; Jiang, Junxiang; Pritchard, Robin G.; Wallace, Timothy W.","Axial stereocontrol in tropos dibenz[c,e]azepines: the individual and cooperative effects of alkyl substituents","Organic & Biomolecular Chemistry","2017","","","","","10.1039/C7OB02385E","","x-ray","0.71073","MoKα","","0.0962","0.0527","","","0.099","0.1252","","","","","","1.092","","","","has coordinates","203678","2020-10-21","18:00:00",""
"7156000","10.1508","0.001","14.2203","0.0012","14.6966","0.0014","90","","106.099","0.01","90","","2038.2","0.3","150","2","150","2","","","","","","","synthesis as described","5","P 1 21/c 1","-P 2ybc","14","","6,7-dihydro-5-(1-methylethyl)-6-[(2-nitrophenyl)sulfonyl]-5H-dibenz[c,e]azepine","","- C23 H22 N2 O4 S -","- C23 H22 N2 O4 S -","- C92 H88 N8 O16 S4 -","4","1","","Balgobin, Sinead M. C.; Brookes, Dominic J.; Jiang, Junxiang; Pritchard, Robin G.; Wallace, Timothy W.","Axial stereocontrol in tropos dibenz[c,e]azepines: the individual and cooperative effects of alkyl substituents","Organic & Biomolecular Chemistry","2017","","","","","10.1039/C7OB02385E","","x-ray","0.71073","MoKα","","0.1094","0.0676","","","0.101","0.1185","","","","","","1.019","","","","has coordinates","203678","2020-10-21","18:00:00",""
"7156009","6.6297","0.0015","15.443","0.004","20.287","0.005","90","","90","","90","","2077","0.9","296","2","296","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C24 H20 Br N O2 -","- C24 H20 Br N O2 -","- C96 H80 Br4 N4 O8 -","4","1","","Guo, Tao; Yuan, Bin-Hua; Liu, Wen-Jie","Highly efficient asymmetric construction of novel indolines and tetrahydroquinoline derivatives via aza-Barbier/C-N coupling reaction.","Organic & biomolecular chemistry","2017","16","1","57","61","10.1039/c7ob02891a","","","0.71073","MoKα","","0.0516","0.0308","","","0.0653","0.0721","","","","","","1.009","","","","has coordinates","230641","2020-10-21","18:00:00",""
"7156010","7.297","0.002","10.159","0.003","14.198","0.004","90","","97.465","0.004","90","","1043.6","0.5","296","2","296","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C25 H22 Br N O2 -","- C25 H22 Br N O2 -","- C50 H44 Br2 N2 O4 -","2","1","","Guo, Tao; Yuan, Bin-Hua; Liu, Wen-Jie","Highly efficient asymmetric construction of novel indolines and tetrahydroquinoline derivatives via aza-Barbier/C-N coupling reaction.","Organic & biomolecular chemistry","2017","16","1","57","61","10.1039/c7ob02891a","","","0.71073","MoKα","","0.0862","0.0463","","","0.0982","0.1229","","","","","","1.005","","","","has coordinates","230641","2020-10-21","18:00:00",""
"7156011","18.851","0.005","6.6457","0.0019","20.17","0.006","90","","114.181","0.003","90","","2305.1","1.1","296","2","296","2","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C22 H28 Br N O2 S -","- C22 H28 Br N O2 S -","- C88 H112 Br4 N4 O8 S4 -","4","2","","Guo, Tao; Yuan, Bin-Hua; Liu, Wen-Jie","Highly efficient asymmetric construction of novel indolines and tetrahydroquinoline derivatives via aza-Barbier/C-N coupling reaction.","Organic & biomolecular chemistry","2017","16","1","57","61","10.1039/c7ob02891a","","","0.71073","MoKα","","0.0702","0.0435","","","0.102","0.1306","","","","","","1.036","","","","has coordinates","230641","2020-10-21","18:00:00",""
"7156013","5.5664","0.0003","8.8236","0.0005","28.6221","0.0019","90","","90","","90","","1405.79","0.14","100","2","100","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C18 H15 N3 O -","- C18 H15 N3 O -","- C72 H60 N12 O4 -","4","1","","Ruvinskaya, Julia O.; Rostovskii, Nikolai V.; Filippov, Ilya P.; Khlebnikov, Alexander F.; Novikov, Mikhail S.","A novel approach to 5H-pyrazino[2,3-b]indoles via annulation of 3-diazoindolin-2-imines with 2H-azirines or 5-alkoxyisoxazoles under Rh(ii) catalysis.","Organic & biomolecular chemistry","2017","16","1","38","42","10.1039/c7ob02637d","","","0.71073","MoKα","","0.0505","0.0419","","","0.0891","0.0924","","","","","","1.07","","","","has coordinates","230639","2020-10-21","18:00:00",""
"7156032","31.822","0.0018","31.822","0.0018","13.3046","0.0005","90","","90","","120","","11667.8","1","170.1","","170.1","","","","","","","","","6","R -3","-R 3","148","","","","- C23 H17 Cl N2 O3 S2 -","- C23 H17 Cl N2 O3 S2 -","- C414 H306 Cl18 N36 O54 S36 -","18","","","Ma, Fanghui; Qian, Jing; Lu, Ping; Wang, Yanguang","Convenient Synthesis of 2-Amino-3-(arylthio)indoles via Rh-Catalyzed Reaction of 3-Diazoindol-2-imines with Thioesters","Organic & Biomolecular Chemistry","2017","","","","","10.1039/C7OB02597A","","","0.71073","MoKα","","0.066","0.0515","","","0.1215","0.1335","","","","","","1.024","","","","has coordinates","204211","2020-10-21","18:00:00",""
"7156033","14.9465","0.0016","9.956","0.0008","14.9447","0.0012","90","","105.076","0.01","90","","2147.3","0.4","293","2","293.15","","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C23 H19 F N2 O3 S2 -","- C23 H19 F N2 O3 S2 -","- C92 H76 F4 N8 O12 S8 -","4","1","","Ma, Fanghui; Qian, Jing; Lu, Ping; Wang, Yanguang","Convenient Synthesis of 2-Amino-3-(arylthio)indoles via Rh-Catalyzed Reaction of 3-Diazoindol-2-imines with Thioesters","Organic & Biomolecular Chemistry","2017","","","","","10.1039/C7OB02597A","","","0.71073","MoKα","","0.058","0.0441","","","0.1048","0.1151","","","","","","1.058","","","","has coordinates","204211","2020-10-21","18:00:00",""
"7157220","6.07381","0.00017","10.7631","0.0003","19.448","0.0005","90","","90","","90","","1271.37","0.06","100","2","100","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C13 H9 F5 N2 O S -","- C13 H9 F5 N2 O S -","- C52 H36 F20 N8 O4 S4 -","4","1","","Sansook, Supojjanee; Ocasio, Cory A.; Day, Iain J.; Tizzard, Graham J.; Coles, Simon J.; Fedorov, Oleg; Bennett, James M.; Elkins, Jonathan M.; Spencer, John","Synthesis of kinase inhibitors containing a pentafluorosulfanyl moiety.","Organic & biomolecular chemistry","2017","15","40","8655","8660","10.1039/c7ob02289a","","x-ray","0.71075","MoKα","","0.0278","0.0258","","","0.064","0.0649","","","","","","1.021","","","","has coordinates","235724","2020-10-21","18:00:00",""
"7157221","16.2237","0.0016","5.6641","0.0003","16.3505","0.0013","90","","119.308","0.012","90","","1310.2","0.2","100","2","100","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C13 H9 F5 N2 O S -","- C13 H9 F5 N2 O S -","- C52 H36 F20 N8 O4 S4 -","4","1","","Sansook, Supojjanee; Ocasio, Cory A.; Day, Iain J.; Tizzard, Graham J.; Coles, Simon J.; Fedorov, Oleg; Bennett, James M.; Elkins, Jonathan M.; Spencer, John","Synthesis of kinase inhibitors containing a pentafluorosulfanyl moiety.","Organic & biomolecular chemistry","2017","15","40","8655","8660","10.1039/c7ob02289a","","x-ray","0.71075","MoKα","","0.1168","0.0565","","","0.1006","0.1186","","","","","","1.024","","","","has coordinates","235724","2020-10-21","18:00:00",""
"7157222","6.3732","0.0003","12.03","0.0007","12.4738","0.0006","67.624","0.005","79.476","0.004","87.476","0.005","869.13","0.08","100","2","100","2","","","","","","","","7","P -1","-P 1","2","","","","- C19 H14 F5 Fe N O S -","- C19 H14 F5 Fe N O S -","- C38 H28 F10 Fe2 N2 O2 S2 -","2","1","","Sansook, Supojjanee; Ocasio, Cory A.; Day, Iain J.; Tizzard, Graham J.; Coles, Simon J.; Fedorov, Oleg; Bennett, James M.; Elkins, Jonathan M.; Spencer, John","Synthesis of kinase inhibitors containing a pentafluorosulfanyl moiety.","Organic & biomolecular chemistry","2017","15","40","8655","8660","10.1039/c7ob02289a","","x-ray","0.71075","MoKα","","0.1048","0.0553","","","0.1097","0.1262","","","","","","1.011","","","","has coordinates","235724","2020-10-21","18:00:00",""
"7157223","28.9645","0.0011","9.2222","0.0004","13.5088","0.0006","90","","102.331","0.004","90","","3525.2","0.3","100","2","100","2","","","","","","","","7","C 1 2/c 1","-C 2yc","15","","","","- C19 H14 F5 Fe N O S -","- C19 H14 F5 Fe N O S -","- C152 H112 F40 Fe8 N8 O8 S8 -","8","1","","Sansook, Supojjanee; Ocasio, Cory A.; Day, Iain J.; Tizzard, Graham J.; Coles, Simon J.; Fedorov, Oleg; Bennett, James M.; Elkins, Jonathan M.; Spencer, John","Synthesis of kinase inhibitors containing a pentafluorosulfanyl moiety.","Organic & biomolecular chemistry","2017","15","40","8655","8660","10.1039/c7ob02289a","","x-ray","0.71075","MoKα","","0.089","0.0506","","","0.0967","0.1089","","","","","","1.012","","","","has coordinates","235724","2020-10-21","18:00:00",""
"7226764","11.7568","0.0009","15.0687","0.001","11.1422","0.0007","90","","90","","90","","1973.9","0.2","100","2","100","2","","","","","","","","6","P n n a","-P 2a 2bc","52","","","","- C11 H9 Fe0.5 N O2.5 Zn0.5 -","- C11 H9 Fe0.5 N O2.5 Zn0.5 -","- C88 H72 Fe4 N8 O20 Zn4 -","8","1","","Ospina-Castro, María L.; Reiber, Andreas; Jorge, Gilberto; Ávila, Edward E.; Briceño, Alexander","Novel 3-D interpenetrated metal‒organometallic networks based on self-assembled Zn(ii)/Cu(ii) from 1,1′-ferrocenedicarboxylic acid and 4,4′-bipyridine","CrystEngComm","2017","19","5","758","","10.1039/C6CE02109C","","","1.54184","CuKα","","0.031","0.0277","","","0.0785","0.081","","","","","","1.061","","","","has coordinates","191568","2020-10-21","18:00:00",""
"7226765","12.016","0.002","14.441","0.002","11.1347","0.0015","90","","90","","90","","1932.1","0.5","173","2","173","2","","","","","","","","6","P n n a","-P 2a 2bc","52","","","","- C11 H9 Cu0.5 Fe0.5 N O2.5 -","- C11 H9 Cu0.5 Fe0.5 N O2.5 -","- C88 H72 Cu4 Fe4 N8 O20 -","8","1","","Ospina-Castro, María L.; Reiber, Andreas; Jorge, Gilberto; Ávila, Edward E.; Briceño, Alexander","Novel 3-D interpenetrated metal‒organometallic networks based on self-assembled Zn(ii)/Cu(ii) from 1,1′-ferrocenedicarboxylic acid and 4,4′-bipyridine","CrystEngComm","2017","19","5","758","","10.1039/C6CE02109C","","","0.71073","MoKα","","0.0666","0.0467","","","0.1227","0.1416","","","","","","1.073","","","","has coordinates","191568","2020-10-21","18:00:00",""
"7226822","17.4184","0.0011","8.2542","0.0005","18.8202","0.0012","90","","104.911","0.007","90","","2614.8","0.3","293.23","0.1","293.23","0.1","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C27 H26 N4 O6 S -","- C27 H26 N4 O6 S -","- C108 H104 N16 O24 S4 -","4","1","","Liu, Xihong; Yang, Dongxu; Wang, Kezhou; Zhang, Jinlong; Wang, Rui","A catalyst-free 1,3-dipolar cycloaddition of C,N-cyclic azomethine imines and 3-nitroindoles: an easy access to five-ring-fused tetrahydroisoquinolines","Green Chem.","2017","19","1","82","","10.1039/C6GC02517J","","x-ray","0.71073","MoKα","","0.0979","0.0573","","","0.1216","0.1517","","","","","","1.035","","","","has coordinates","191691","2020-10-21","18:00:00",""
"7226883","16.685","0.0005","5.027","0.0002","22.863","0.0007","90","","96.02","0.002","90","","1907.07","0.11","296","2","296","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C22 H20 N2 O7 -","- C22 H20 N2 O7 -","- C88 H80 N8 O28 -","4","0.5","","Gopan, Gopika; Salini, P. S.; Deb, Somadrita; Hariharan, Mahesh","V-shaped oxydiphthalimides: side-chain engineering regulates crystallisation-induced emission enhancement","CrystEngComm","2017","19","3","419","","10.1039/C6CE01738J","","","0.71073","MoKα","","0.0421","0.0344","","","0.0843","0.091","","","","","","1.036","","","","has coordinates","191562","2020-10-21","18:00:00",""
"7226884","16.4774","0.001","5.1561","0.0004","24.853","0.0016","90","","92.793","0.004","90","","2109","0.2","296","2","296","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C24 H24 N2 O5 -","- C24 H24 N2 O5 -","- C96 H96 N8 O20 -","4","0.5","","Gopan, Gopika; Salini, P. S.; Deb, Somadrita; Hariharan, Mahesh","V-shaped oxydiphthalimides: side-chain engineering regulates crystallisation-induced emission enhancement","CrystEngComm","2017","19","3","419","","10.1039/C6CE01738J","","","0.71073","MoKα","","0.0782","0.0612","","","0.1761","0.1902","","","","","","1.057","","","","has coordinates","191562","2020-10-21","18:00:00",""
"7226885","43.491","0.005","5.2413","0.0005","19.472","0.002","90","","104.452","0.004","90","","4298.2","0.8","296","2","296","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C26 H24 N2 O5 -","- C26 H24 N2 O5 -","- C208 H192 N16 O40 -","8","1","","Gopan, Gopika; Salini, P. S.; Deb, Somadrita; Hariharan, Mahesh","V-shaped oxydiphthalimides: side-chain engineering regulates crystallisation-induced emission enhancement","CrystEngComm","2017","19","3","419","","10.1039/C6CE01738J","","","0.71073","MoKα","","0.1059","0.0507","","","0.12","0.1484","","","","","","1.02","","","","has coordinates,has disorder","191562","2020-10-21","18:00:00",""
"7226886","32.3856","0.0016","5.3119","0.0002","15.6793","0.0008","90","","110.527","0.003","90","","2526","0.2","296","2","296","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C30 H30 N2 O5 -","- C30 H30 N2 O5 -","- C120 H120 N8 O20 -","4","0.5","","Gopan, Gopika; Salini, P. S.; Deb, Somadrita; Hariharan, Mahesh","V-shaped oxydiphthalimides: side-chain engineering regulates crystallisation-induced emission enhancement","CrystEngComm","2017","19","3","419","","10.1039/C6CE01738J","","","0.71073","MoKα","","0.0952","0.0726","","","0.2056","0.236","","","","","","1.046","","","","has coordinates","191562","2020-10-21","18:00:00",""
"7226887","13.856","0.0007","20.5314","0.0011","13.6341","0.0007","90","","116.97","0.002","90","","3456.8","0.3","296","2","296","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C40 H40 N2 O5 -","- C40 H40 N2 O5 -","- C160 H160 N8 O20 -","4","1","","Gopan, Gopika; Salini, P. S.; Deb, Somadrita; Hariharan, Mahesh","V-shaped oxydiphthalimides: side-chain engineering regulates crystallisation-induced emission enhancement","CrystEngComm","2017","19","3","419","","10.1039/C6CE01738J","","","0.71073","MoKα","","0.1039","0.0554","","","0.1462","0.1906","","","","","","1.063","","","","has coordinates","191562","2020-10-21","18:00:00",""
"7226888","4.958","0.002","21.437","0.01","12.165","0.006","90","","98.132","0.007","90","","1280","1","296.15","","296.15","","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C16 H11 N3 O -","- C16 H11 N3 O -","- C64 H44 N12 O4 -","4","2","","Xie, Yu-Yang; Wang, Ying-Chun; He, Yan; Hu, Da-Chao; Wang, Heng-Shan; Pan, Ying-Ming","Catalyst-free synthesis of fused 1,2,3-triazole and isoindoline derivatives via an intramolecular azide‒alkene cascade reaction","Green Chem.","2017","19","3","656","","10.1039/C6GC01553K","","","0.71073","MoKα","","0.0494","0.0354","","","0.1048","0.1182","","","","","","0.834","","","","has coordinates","193863","2020-10-21","18:00:00",""
"7226904","7.6148","0.0009","7.8988","0.0008","24.473","0.003","90","","90","","90","","1472","0.3","120","2","120","2","","","","","","","","4","C m c e","-C 2ac 2","64","","?DW-X-7-SEB 2-amino-5-(iodoethynyl)-pyrimidine","","- C6 H4 I N3 -","- C6 H4 I N3 -","- C48 H32 I8 N24 -","8","0.5","","Aakeröy, Christer B.; Welideniya, Dhanushi; Desper, John","Ethynyl hydrogen bonds and iodoethynyl halogen bonds: a case of synthon mimicry","CrystEngComm","2017","19","1","11","","10.1039/C6CE02201D","","","0.71073","MoKα","","0.1004","0.0865","","","0.1898","0.1975","","","","","","1.064","","","","has coordinates","191574","2020-10-21","18:00:00",""
"7226905","4.3404","0.0007","7.7073","0.0012","8.6344","0.0015","90","","91.363","0.009","90","","288.76","0.08","120","2","120","2","","","","","","","","3","P 1 21/m 1","-P 2yb","11","","DW-Y-2 2-amino-5-ethynylpyrimidine","","- C6 H5 N3 -","- C6 H5 N3 -","- C12 H10 N6 -","2","0.5","","Aakeröy, Christer B.; Welideniya, Dhanushi; Desper, John","Ethynyl hydrogen bonds and iodoethynyl halogen bonds: a case of synthon mimicry","CrystEngComm","2017","19","1","11","","10.1039/C6CE02201D","","","0.71073","MoKα","","0.0524","0.0416","","","0.1199","0.1299","","","","","","1.067","","","","has coordinates","191574","2020-10-21","18:00:00",""
"7226906","5.7837","0.0005","6.113","0.0005","16.4016","0.0014","98.086","0.004","92.18","0.004","101.892","0.004","560.46","0.08","120","2","120","2","","","","","","","","4","P -1","-P 1","2","","DW-X-8-DOD [2-amino-5-(iodoethynyl)-pyrimidine]2, 2,3,5,6-Me4-pyrazine","","- C20 H20 I2 N8 -","- C20 H20 I2 N8 -","- C20 H20 I2 N8 -","1","0.5","","Aakeröy, Christer B.; Welideniya, Dhanushi; Desper, John","Ethynyl hydrogen bonds and iodoethynyl halogen bonds: a case of synthon mimicry","CrystEngComm","2017","19","1","11","","10.1039/C6CE02201D","","","0.71073","MoKα","","0.0384","0.0319","","","0.0887","0.0919","","","","","","1.069","","","","has coordinates","191574","2020-10-21","18:00:00",""
"7226907","5.7849","0.0018","6.0656","0.0018","14.756","0.005","79.742","0.008","88.831","0.008","80.342","0.007","502.3","0.3","120","2","120","2","","","","","","","","3","P -1","-P 1","2","","DW-Y-8 (2-amino-5-ethynylpyrimidine)2, 2,3,5,6-Me4-pyrazine","","- C20 H22 N8 -","- C20 H22 N8 -","- C20 H22 N8 -","1","0.5","","Aakeröy, Christer B.; Welideniya, Dhanushi; Desper, John","Ethynyl hydrogen bonds and iodoethynyl halogen bonds: a case of synthon mimicry","CrystEngComm","2017","19","1","11","","10.1039/C6CE02201D","","","0.71073","MoKα","","0.067","0.0463","","","0.1222","0.1365","","","","","","1.099","","","","has coordinates,has disorder","191574","2020-10-21","18:00:00",""
"7226908","19.625","0.002","7.5472","0.0007","8.2583","0.0008","90","","100.95","0.004","90","","1200.9","0.2","120","2","120","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","DW-X-4 [2-amino-5-(iodoethynyl)-pyrimidine]2, 1,2-bis(4-pyridyl)ethylene","","- C24 H18 I2 N8 -","- C24 H18 I2 N8 -","- C48 H36 I4 N16 -","2","0.5","","Aakeröy, Christer B.; Welideniya, Dhanushi; Desper, John","Ethynyl hydrogen bonds and iodoethynyl halogen bonds: a case of synthon mimicry","CrystEngComm","2017","19","1","11","","10.1039/C6CE02201D","","","0.71073","MoKα","","0.0305","0.0242","","","0.0539","0.0567","","","","","","1.058","","","","has coordinates","191574","2020-10-21","18:00:00",""
"7226909","5.9068","0.0006","11.5286","0.0012","15.8169","0.0016","104.471","0.004","93.042","0.005","95.934","0.004","1033.84","0.18","120","2","120","2","","","","","","","","3","P -1","-P 1","2","","DW-Y-4 2-amino-5-ethynylpyrimidine, (1,2-bis(4-pyridyl)ethylene)2","","- C24 H20 N8 -","- C24 H20 N8 -","- C48 H40 N16 -","2","1","","Aakeröy, Christer B.; Welideniya, Dhanushi; Desper, John","Ethynyl hydrogen bonds and iodoethynyl halogen bonds: a case of synthon mimicry","CrystEngComm","2017","19","1","11","","10.1039/C6CE02201D","","","0.71073","MoKα","","0.0879","0.0573","","","0.1611","0.1814","","","","","","1.096","","","","has coordinates,has disorder","191574","2020-10-21","18:00:00",""
"7226985","14.2032","0.0008","4.6426","0.0003","18.5046","0.001","90","","99.389","0.006","90","","1203.84","0.12","293","2","293","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","3,4-dihydro-(3Z)-(2-oxohex-5-enylidene)-1,4-benzoxazin-2-one","","- C14 H13 N O3 -","- C14 H13 N O3 -","- C56 H52 N4 O12 -","4","1","","Petronijević, Jelena; Bugarčić, Zorica; Bogdanović, Goran A.; Stefanović, Srđan; Janković, Nenad","An enolate ion as a synthon in biocatalytic synthesis of 3,4-dihydro-2(1H)-quinoxalinones and 3,4-dihydro-1,4-benzoxazin-2-ones: lemon juice as an alternative to hazardous solvents and catalysts","Green Chem.","2017","19","3","707","","10.1039/C6GC02893D","","x-ray","0.71073","MoKα","","0.0845","0.0462","","","0.0951","0.1153","","","","","","1.032","","","","has coordinates","193861","2020-10-21","18:00:00",""
"7227061","21.5317","0.0007","9.9017","0.0003","16.3749","0.0005","90","","90","","90","","3491.14","0.19","90","2","90","2","","","","","","","","6","P n a 21","P 2c -2n","33","","","","- C23 H42 Eu Mo N12 O7 -","- C23 H42 Eu Mo N12 O7 -","- C92 H168 Eu4 Mo4 N48 O28 -","4","1","","Komine, Masaya; Chorazy, Szymon; Imoto, Kenta; Nakabayashi, Koji; Ohkoshi, Shin-ichi","SHG-active LnIII‒[MoI(CN)5(NO)]3− (Ln = Gd, Eu) magnetic coordination chains: a new route towards non-centrosymmetric molecule-based magnets","CrystEngComm","2017","19","1","18","","10.1039/C6CE02214F","","x-ray","0.71075","MoKα","","0.0475","0.0451","","","0.09","0.0932","","","","","","1.123","","","","has coordinates","191578","2020-10-21","18:00:00",""
"7227062","21.4968","0.0012","9.8959","0.0005","16.3664","0.0008","90","","90","","90","","3481.6","0.3","90","2","90","2","","","","","","","","6","P n a 21","P 2c -2n","33","","","","- C23 H42 Gd Mo N12 O7 -","- C23 H42 Gd Mo N12 O7 -","- C92 H168 Gd4 Mo4 N48 O28 -","4","1","","Komine, Masaya; Chorazy, Szymon; Imoto, Kenta; Nakabayashi, Koji; Ohkoshi, Shin-ichi","SHG-active LnIII‒[MoI(CN)5(NO)]3− (Ln = Gd, Eu) magnetic coordination chains: a new route towards non-centrosymmetric molecule-based magnets","CrystEngComm","2017","19","1","18","","10.1039/C6CE02214F","","x-ray","0.71075","MoKα","","0.0429","0.0405","","","0.0866","0.0886","","","","","","1.091","","","","has coordinates","191578","2020-10-21","18:00:00",""
"7227091","9.374","0.007","35.9","0.03","12.405","0.009","90","","93.387","0.006","90","","4167","6","100","","100","","","","","","","","","5","P 1 21 1","P 2yb","4","","trans-ABPX103","","- C47.5 H37.5 Cl4.5 N2 O6 -","- C47.5 H37.5 Cl4.5 N2 O6 -","- C190 H150 Cl18 N8 O24 -","4","2","","Tanioka, Masaru; Kamino, Shinichiro; Muranaka, Atsuya; Shirasaki, Yoshinao; Ooyama, Yousuke; Ueda, Masashi; Uchiyama, Masanobu; Enomoto, Shuichi; Sawada, Daisuke","Water-tunable solvatochromic and nanoaggregate fluorescence: dual colour visualisation and quantification of trace water in tetrahydrofuran.","Physical chemistry chemical physics : PCCP","2017","19","2","1209","1216","10.1039/c6cp06808a","","","0.71075","MoKα","","0.0988","0.0761","","","0.1214","0.1363","","","","","","1.09","","","","has coordinates","203412","2020-10-21","18:00:00",""
"7227120","31.654","0.002","9.7728","0.0007","37.31","0.002","90","","90","","90","","11541.8","1.3","120","2","120","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C59 H63 N3 O14 Zn2 -","- C54.36 H53.04 N2 O12.36 Zn2 -","- C434.88 H424.32 N16 O98.88 Zn16 -","8","1","","Martin, Adam D.; Easun, Timothy L.; Argent, Stephen P.; Lewis, William; Blake, Alexander J.; Schröder, Martin","The effect of carboxylate position on the structure of a metal organic framework derived from cyclotriveratrylene","CrystEngComm","2017","19","4","603","","10.1039/C6CE01965J","","x-ray","0.6889","","","0.2249","0.146","","","0.3889","0.4154","","","","","","1.208","","","","has coordinates,has disorder","191557","2020-10-21","18:00:00",""
"7227121","32.094","0.002","9.8357","0.0007","37.7628","0.0016","90","","90","","90","","11920.5","1.2","120","2","120","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C63 H72 Co2 N4 O15 -","- C55 H54 Co2 N2 O13 -","- C440 H432 Co16 N16 O104 -","8","1","","Martin, Adam D.; Easun, Timothy L.; Argent, Stephen P.; Lewis, William; Blake, Alexander J.; Schröder, Martin","The effect of carboxylate position on the structure of a metal organic framework derived from cyclotriveratrylene","CrystEngComm","2017","19","4","603","","10.1039/C6CE01965J","","","1.54184","CuKα","","0.1346","0.0836","","","0.2382","0.2812","","","","","","1.029","","","","has coordinates,has disorder","191557","2020-10-21","18:00:00",""
"7227122","23.7409","0.0014","23.9301","0.0014","31.1933","0.0016","68.75","0.005","88.214","0.004","60.764","0.006","14179","1.8","120","2","120","2","","","","","","","","5","P -1","-P 1","2","","","","- C264 H331 N21 O62 Zn6 -","- C204 H189 N6 O47 Zn6 -","- C408 H378 N12 O94 Zn12 -","2","1","","Martin, Adam D.; Easun, Timothy L.; Argent, Stephen P.; Lewis, William; Blake, Alexander J.; Schröder, Martin","The effect of carboxylate position on the structure of a metal organic framework derived from cyclotriveratrylene","CrystEngComm","2017","19","4","603","","10.1039/C6CE01965J","","x-ray","0.6889","","","0.2211","0.1727","","","0.4367","0.4728","","","","","","1.484","","","","has coordinates","191557","2020-10-21","18:00:00",""
"7227125","12.5078","0.0009","8.3906","0.0006","11.3259","0.0009","90","","116.232","0.004","90","","1066.21","0.14","100","2","100","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C13 H11 F N2 -","- C13 H11 F N2 -","- C52 H44 F4 N8 -","4","1","","Dey, Dhananjay; Chopra, Deepak","Occurrence of 3D isostructurality in fluorinated phenyl benzamidines","CrystEngComm","2017","19","1","47","","10.1039/C6CE01924B","","","0.71073","MoKα","","0.0731","0.0494","","","0.125","0.1388","","","","","","1.073","","","","has coordinates,has disorder","191581","2020-10-21","18:00:00",""
"7227126","22.9004","0.0012","11.908","0.0006","8.2228","0.0005","90","","104.178","0.003","90","","2174","0.2","100","2","100","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C13 H10 F2 N2 -","- C13 H10 F2 N2 -","- C104 H80 F16 N16 -","8","1","","Dey, Dhananjay; Chopra, Deepak","Occurrence of 3D isostructurality in fluorinated phenyl benzamidines","CrystEngComm","2017","19","1","47","","10.1039/C6CE01924B","","","0.71073","MoKα","","0.101","0.085","","","0.2131","0.2268","","","","","","1.107","","","","has coordinates,has disorder","191581","2020-10-21","18:00:00",""
"7227127","9.4875","0.0003","11.5929","0.0004","10.3365","0.0003","90","","93.915","0.002","90","","1134.23","0.06","100","2","100","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C13 H10 F2 N2 -","- C13 H10 F2 N2 -","- C52 H40 F8 N8 -","4","1","","Dey, Dhananjay; Chopra, Deepak","Occurrence of 3D isostructurality in fluorinated phenyl benzamidines","CrystEngComm","2017","19","1","47","","10.1039/C6CE01924B","","","0.71073","MoKα","","0.0753","0.0574","","","0.1413","0.1511","","","","","","1.073","","","","has coordinates,has disorder","191581","2020-10-21","18:00:00",""
"7227128","9.6935","0.0003","10.9094","0.0003","10.3672","0.0003","90","","94.576","0.002","90","","1092.84","0.06","100","2","100","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C13 H10 F2 N2 -","- C13 H10 F2 N2 -","- C52 H40 F8 N8 -","4","1","","Dey, Dhananjay; Chopra, Deepak","Occurrence of 3D isostructurality in fluorinated phenyl benzamidines","CrystEngComm","2017","19","1","47","","10.1039/C6CE01924B","","","0.71073","MoKα","","0.0433","0.038","","","0.0966","0.1003","","","","","","1.04","","","","has coordinates","191581","2020-10-21","18:00:00",""
"7227131","10.6305","0.0008","13.32","0.001","16.2613","0.0012","90","","107.408","0.004","90","","2197.1","0.3","296","2","296","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","KHC-053","","","- C20 H16 N2 O8 Zn2 -","- C20 H16 N2 O8 Zn2 -","- C80 H64 N8 O32 Zn8 -","4","1","","Kim, Hyun-Chul; Huh, Seong; Kim, Jin Yeong; Moon, Hoi Ri; Lee, Do Nam; Kim, Youngmee","Zn-MOFs containing flexible α,ω-alkane (or alkene)-dicarboxylates with 1,2-bis(4-pyridyl)ethylene: comparison with Zn-MOFs containing 1,2-bis(4-pyridyl)ethane ligands","CrystEngComm","2017","19","1","99","","10.1039/C6CE02122K","","","0.71073","","","0.1686","0.0739","","","0.1791","0.219","","","","","","0.985","","","","has coordinates,has disorder","191577","2020-10-21","18:00:00",""
"7227132","8.8979","0.0003","21.4587","0.0007","13.4851","0.0004","90","","96.7804","0.0016","90","","2556.8","0.14","296","2","296","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C16 H12 N2 O4.5 Zn -","- C16 H12 N2 O4.5 Zn -","- C64 H48 N8 O18 Zn4 -","4","0.5","","Kim, Hyun-Chul; Huh, Seong; Kim, Jin Yeong; Moon, Hoi Ri; Lee, Do Nam; Kim, Youngmee","Zn-MOFs containing flexible α,ω-alkane (or alkene)-dicarboxylates with 1,2-bis(4-pyridyl)ethylene: comparison with Zn-MOFs containing 1,2-bis(4-pyridyl)ethane ligands","CrystEngComm","2017","19","1","99","","10.1039/C6CE02122K","","","0.71073","MoKα","","0.0596","0.0494","","","0.1399","0.145","","","","","","1.106","","","","has coordinates","191577","2020-10-21","18:00:00",""
"7227133","8.1425","0.0002","9.1496","0.0002","11.5118","0.0003","97.185","0.0016","96.2776","0.0017","102.745","0.0016","821.58","0.04","296","2","296","2","","","","","","","","5","P -1","-P 1","2","CIH065R","","","- C18 H18 N2 O4 Zn -","- C18 H18 N2 O4 Zn -","- C36 H36 N4 O8 Zn2 -","2","1","","Kim, Hyun-Chul; Huh, Seong; Kim, Jin Yeong; Moon, Hoi Ri; Lee, Do Nam; Kim, Youngmee","Zn-MOFs containing flexible α,ω-alkane (or alkene)-dicarboxylates with 1,2-bis(4-pyridyl)ethylene: comparison with Zn-MOFs containing 1,2-bis(4-pyridyl)ethane ligands","CrystEngComm","2017","19","1","99","","10.1039/C6CE02122K","","","0.71073","","","0.0892","0.065","","","0.1444","0.159","","","","","","1.041","","","","has coordinates","191577","2020-10-21","18:00:00",""
"7227134","12.396","0.003","13.262","0.003","15.772","0.003","90","","90","","90","","2592.8","1","296","2","296","2","","","","","","","","5","P n n a","-P 2a 2bc","52","","","","- C18 H14 N2 O4 Zn -","- C18 H14 N2 O4 Zn -","- C72 H56 N8 O16 Zn4 -","4","0.5","","Kim, Hyun-Chul; Huh, Seong; Kim, Jin Yeong; Moon, Hoi Ri; Lee, Do Nam; Kim, Youngmee","Zn-MOFs containing flexible α,ω-alkane (or alkene)-dicarboxylates with 1,2-bis(4-pyridyl)ethylene: comparison with Zn-MOFs containing 1,2-bis(4-pyridyl)ethane ligands","CrystEngComm","2017","19","1","99","","10.1039/C6CE02122K","","","0.71073","MoKα","","0.2084","0.0753","","","0.1912","0.2263","","","","","","0.859","","","","has coordinates","191577","2020-10-21","18:00:00",""
"7227135","8.8583","0.0002","21.437","0.0005","13.5925","0.0003","90","","95.7932","0.0012","90","","2567.97","0.1","296","2","296","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C16 H12 N2 O4 Zn -","- C16 H12 N2 O4 Zn -","- C64 H48 N8 O16 Zn4 -","4","0.5","","Kim, Hyun-Chul; Huh, Seong; Kim, Jin Yeong; Moon, Hoi Ri; Lee, Do Nam; Kim, Youngmee","Zn-MOFs containing flexible α,ω-alkane (or alkene)-dicarboxylates with 1,2-bis(4-pyridyl)ethylene: comparison with Zn-MOFs containing 1,2-bis(4-pyridyl)ethane ligands","CrystEngComm","2017","19","1","99","","10.1039/C6CE02122K","","","0.71073","MoKα","","0.0549","0.0412","","","0.0899","0.0934","","","","","","1.137","","","","has coordinates","191577","2020-10-21","18:00:00",""
"7227136","12.471","0.003","13.306","0.003","15.711","0.003","90","","90","","90","","2607.1","1","293","2","293","2","","","","","","","","6","P n n a","-P 2a 2bc","52","","","","- C18 H14 I0.1 N2 O4 Zn -","- C18 H14 I0.1 N2 O4 Zn -","- C72 H56 I0.4 N8 O16 Zn4 -","4","0.5","","Kim, Hyun-Chul; Huh, Seong; Kim, Jin Yeong; Moon, Hoi Ri; Lee, Do Nam; Kim, Youngmee","Zn-MOFs containing flexible α,ω-alkane (or alkene)-dicarboxylates with 1,2-bis(4-pyridyl)ethylene: comparison with Zn-MOFs containing 1,2-bis(4-pyridyl)ethane ligands","CrystEngComm","2017","19","1","99","","10.1039/C6CE02122K","","","0.71073","MoKα","","0.2318","0.0894","","","0.1491","0.2079","","","","","","1.051","","","","has coordinates","191577","2020-10-21","18:00:00",""
"7227139","12.5902","0.0005","13.8557","0.0006","7.0755","0.0003","90","","93.443","0.004","90","","1232.07","0.09","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C13 H11 Co N O6 -","- C13 H11 Co N O6 -","- C52 H44 Co4 N4 O24 -","4","1","","Gu, Jin-Zhong; Liang, Xiao-Xiao; Cui, Yan-Hui; Wu, Jiang; Kirillov, Alexander M.","Exploring 4-(3-carboxyphenyl)picolinic acid as a semirigid building block for the hydrothermal self-assembly of diverse metal‒organic and supramolecular networks","CrystEngComm","2017","19","1","117","","10.1039/C6CE02115H","","","0.71073","MoKα","","0.0588","0.0411","","","0.0764","0.086","","","","","","1.06","","","","has coordinates","191579","2020-10-21","18:00:00",""
"7227140","11.4833","0.0008","12.8687","0.0006","15.1022","0.0008","90","","97.349","0.006","90","","2213.4","0.2","293","2","293","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C23 H19 Co N3 O6 -","- C23 H19 Co N3 O6 -","- C92 H76 Co4 N12 O24 -","4","1","","Gu, Jin-Zhong; Liang, Xiao-Xiao; Cui, Yan-Hui; Wu, Jiang; Kirillov, Alexander M.","Exploring 4-(3-carboxyphenyl)picolinic acid as a semirigid building block for the hydrothermal self-assembly of diverse metal‒organic and supramolecular networks","CrystEngComm","2017","19","1","117","","10.1039/C6CE02115H","","","0.71073","MoKα","","0.0752","0.0478","","","0.0865","0.1006","","","","","","1.001","","","","has coordinates","191579","2020-10-21","18:00:00",""
"7227141","10.035","0.0003","11.632","0.0003","18.666","0.0006","90","","90","","90","","2178.83","0.11","293","2","293","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C25 H17 Co N3 O5 -","- C25 H17 Co N3 O5 -","- C100 H68 Co4 N12 O20 -","4","1","","Gu, Jin-Zhong; Liang, Xiao-Xiao; Cui, Yan-Hui; Wu, Jiang; Kirillov, Alexander M.","Exploring 4-(3-carboxyphenyl)picolinic acid as a semirigid building block for the hydrothermal self-assembly of diverse metal‒organic and supramolecular networks","CrystEngComm","2017","19","1","117","","10.1039/C6CE02115H","","","0.71073","MoKα","","0.0501","0.0399","","","0.0798","0.0861","","","","","","1.012","","","","has coordinates","191579","2020-10-21","18:00:00",""
"7227142","12.5528","0.0007","14.2273","0.0007","7.1047","0.0004","90","","93.315","0.005","90","","1266.72","0.12","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C26 H24 N2 Ni O12 -","- C26 H24 N2 Ni O12 -","- C52 H48 N4 Ni2 O24 -","2","0.5","","Gu, Jin-Zhong; Liang, Xiao-Xiao; Cui, Yan-Hui; Wu, Jiang; Kirillov, Alexander M.","Exploring 4-(3-carboxyphenyl)picolinic acid as a semirigid building block for the hydrothermal self-assembly of diverse metal‒organic and supramolecular networks","CrystEngComm","2017","19","1","117","","10.1039/C6CE02115H","","","0.71073","MoKα","","0.0799","0.0498","","","0.0831","0.0995","","","","","","1.072","","","","has coordinates","191579","2020-10-21","18:00:00",""
"7227143","12.5405","0.0004","13.8008","0.0004","7.0319","0.0003","90","","93.828","0.003","90","","1214.29","0.07","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C13 H11 N Ni O6 -","- C13 H11 N Ni O6 -","- C52 H44 N4 Ni4 O24 -","4","1","","Gu, Jin-Zhong; Liang, Xiao-Xiao; Cui, Yan-Hui; Wu, Jiang; Kirillov, Alexander M.","Exploring 4-(3-carboxyphenyl)picolinic acid as a semirigid building block for the hydrothermal self-assembly of diverse metal‒organic and supramolecular networks","CrystEngComm","2017","19","1","117","","10.1039/C6CE02115H","","","0.71073","MoKα","","0.0475","0.0352","","","0.0753","0.0838","","","","","","1.065","","","","has coordinates","191579","2020-10-21","18:00:00",""
"7227144","12.523","0.004","14.22","0.003","7.0884","0.0019","90","","93.4","0.04","90","","1260.1","0.6","295.69","0.16","295.69","0.16","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C26 H24 N2 O12 Zn -","- C26 H24 N2 O12 Zn -","- C52 H48 N4 O24 Zn2 -","2","0.5","","Gu, Jin-Zhong; Liang, Xiao-Xiao; Cui, Yan-Hui; Wu, Jiang; Kirillov, Alexander M.","Exploring 4-(3-carboxyphenyl)picolinic acid as a semirigid building block for the hydrothermal self-assembly of diverse metal‒organic and supramolecular networks","CrystEngComm","2017","19","1","117","","10.1039/C6CE02115H","","","0.71073","MoKα","","0.1023","0.0561","","","0.1206","0.1319","","","","","","0.927","","","","has coordinates","191579","2020-10-21","18:00:00",""
"7227145","9.0764","0.0014","16.0794","0.0016","13.913","0.003","90","","106.7","0.02","90","","1944.9","0.6","293","2","293","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C23 H15 N3 O4 Zn -","- C23 H15 N3 O4 Zn -","- C92 H60 N12 O16 Zn4 -","4","1","","Gu, Jin-Zhong; Liang, Xiao-Xiao; Cui, Yan-Hui; Wu, Jiang; Kirillov, Alexander M.","Exploring 4-(3-carboxyphenyl)picolinic acid as a semirigid building block for the hydrothermal self-assembly of diverse metal‒organic and supramolecular networks","CrystEngComm","2017","19","1","117","","10.1039/C6CE02115H","","","0.71073","MoKα","","0.1595","0.0684","","","0.0781","0.1034","","","","","","1.003","","","","has coordinates","191579","2020-10-21","18:00:00",""
"7227146","10.0211","0.0005","11.6063","0.0008","18.7216","0.0011","90","","90","","90","","2177.5","0.2","293","2","293","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C25 H17 N3 O5 Zn -","- C25 H17 N3 O5 Zn -","- C100 H68 N12 O20 Zn4 -","4","1","","Gu, Jin-Zhong; Liang, Xiao-Xiao; Cui, Yan-Hui; Wu, Jiang; Kirillov, Alexander M.","Exploring 4-(3-carboxyphenyl)picolinic acid as a semirigid building block for the hydrothermal self-assembly of diverse metal‒organic and supramolecular networks","CrystEngComm","2017","19","1","117","","10.1039/C6CE02115H","","","0.71073","MoKα","","0.0641","0.0464","","","0.0646","0.0745","","","","","","1.074","","","","has coordinates","191579","2020-10-21","18:00:00",""
"7227147","10.1184","0.0004","11.542","0.0004","18.8913","0.0009","90","","90","","90","","2206.25","0.16","293","2","293","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C25 H17 Mn N3 O5 -","- C25 H17 Mn N3 O5 -","- C100 H68 Mn4 N12 O20 -","4","1","","Gu, Jin-Zhong; Liang, Xiao-Xiao; Cui, Yan-Hui; Wu, Jiang; Kirillov, Alexander M.","Exploring 4-(3-carboxyphenyl)picolinic acid as a semirigid building block for the hydrothermal self-assembly of diverse metal‒organic and supramolecular networks","CrystEngComm","2017","19","1","117","","10.1039/C6CE02115H","","","0.71073","MoKα","","0.0676","0.0471","","","0.0725","0.082","","","","","","1.013","","","","has coordinates","191579","2020-10-21","18:00:00",""
"7227148","10.0257","0.0003","11.6347","0.0006","18.6389","0.0005","90","","90","","90","","2174.15","0.14","293","2","293","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C25 H17 Cu N3 O5 -","- C25 H17 Cu N3 O5 -","- C100 H68 Cu4 N12 O20 -","4","1","","Gu, Jin-Zhong; Liang, Xiao-Xiao; Cui, Yan-Hui; Wu, Jiang; Kirillov, Alexander M.","Exploring 4-(3-carboxyphenyl)picolinic acid as a semirigid building block for the hydrothermal self-assembly of diverse metal‒organic and supramolecular networks","CrystEngComm","2017","19","1","117","","10.1039/C6CE02115H","","","0.71073","MoKα","","0.0637","0.0522","","","0.1218","0.1327","","","","","","1.137","","","","has coordinates","191579","2020-10-21","18:00:00",""
"7227149","10.9405","0.0007","21.724","0.0017","23.897","0.0011","90","","91.988","0.005","90","","5676.2","0.6","293","2","293","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C63 H45 Cd3 N7 O16 -","- C63 H37 Cd3 N7 O16 -","- C252 H148 Cd12 N28 O64 -","4","1","","Gu, Jin-Zhong; Liang, Xiao-Xiao; Cui, Yan-Hui; Wu, Jiang; Kirillov, Alexander M.","Exploring 4-(3-carboxyphenyl)picolinic acid as a semirigid building block for the hydrothermal self-assembly of diverse metal‒organic and supramolecular networks","CrystEngComm","2017","19","1","117","","10.1039/C6CE02115H","","","0.71073","MoKα","","0.1722","0.0916","","","0.2109","0.2717","","","","","","1.023","","","","has coordinates","191579","2020-10-21","18:00:00",""
"7227152","13.3655","0.0009","17.7584","0.0011","21.054","0.0014","106.656","0.001","92.95","0.001","110.785","0.001","4410","0.5","293","2","293","2","","","","","","","","7","P -1","-P 1","2","","","","- C51 H82 Cl N16 O42 V16 Zn3.5 -","- C51 H70 Cl N16 O42 V16 Zn3.5 -","- C102 H140 Cl2 N32 O84 V32 Zn7 -","2","1","","Guo, Hai-Yang; Zhang, Ting-Ting; Lin, Po-Han; Xiao-Zhang, Xiao-Zhang; Cui, Xiao-Bing; Huo, Qi-Sheng; Xu, Ji-Qing","Preparation, structure and characterization of a series of vanadates","CrystEngComm","2017","19","2","265","","10.1039/C6CE02205G","","","0.71073","MoKα","","0.0989","0.0604","","","0.1546","0.1761","","","","","","1.051","","","","has coordinates","191545","2020-10-21","18:00:00",""
"7227153","14.989","0.002","14.989","0.002","28.467","0.006","90","","90","","120","","5538.8","1.6","293","2","293","2","","","","","","","","7","P 63/m","-P 6c","176","","","","- C54 H106 Cl N36 Ni3 O53 V15 -","- C54 H72 Cl N36 Ni3 O53.0001 V15 -","- C108 H144 Cl2 N72 Ni6 O106 V30 -","2","0.166667","","Guo, Hai-Yang; Zhang, Ting-Ting; Lin, Po-Han; Xiao-Zhang, Xiao-Zhang; Cui, Xiao-Bing; Huo, Qi-Sheng; Xu, Ji-Qing","Preparation, structure and characterization of a series of vanadates","CrystEngComm","2017","19","2","265","","10.1039/C6CE02205G","","","0.71073","MoKα","","0.0815","0.0625","","","0.1776","0.1928","","","","","","1.088","","","","has coordinates","191545","2020-10-21","18:00:00",""
"7227154","22.904","0.003","13.0032","0.0012","25.754","0.002","90","","95.05","0.002","90","","7640.4","1.4","296","2","296","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C60 H62 N12 O34 V10 Zn2 -","- C60 H48 N12 O34 V10 Zn2 -","- C240 H192 N48 O136 V40 Zn8 -","4","0.5","","Guo, Hai-Yang; Zhang, Ting-Ting; Lin, Po-Han; Xiao-Zhang, Xiao-Zhang; Cui, Xiao-Bing; Huo, Qi-Sheng; Xu, Ji-Qing","Preparation, structure and characterization of a series of vanadates","CrystEngComm","2017","19","2","265","","10.1039/C6CE02205G","","","0.71073","MoKα","","0.0874","0.0491","","","0.1182","0.1363","","","","","","1.044","","","","has coordinates","191545","2020-10-21","18:00:00",""
"7227155","12.18","0.0007","13.5592","0.0008","13.8287","0.0007","85.204","0.004","65.431","0.005","75.508","0.005","2010.4","0.2","293","2","293","2","","","","","","","","6","P -1","-P 1","2","","","","- C72 H72 N12 Ni2 O24 V4 -","- C72 H48 N12 Ni2 O24 V4 -","- C72 H48 N12 Ni2 O24 V4 -","1","0.5","","Guo, Hai-Yang; Zhang, Ting-Ting; Lin, Po-Han; Xiao-Zhang, Xiao-Zhang; Cui, Xiao-Bing; Huo, Qi-Sheng; Xu, Ji-Qing","Preparation, structure and characterization of a series of vanadates","CrystEngComm","2017","19","2","265","","10.1039/C6CE02205G","","","0.71073","MoKα","","0.0649","0.0518","","","0.1557","0.1682","","","","","","1.021","","","","has coordinates","191545","2020-10-21","18:00:00",""
"7227173","11.2871","0.0003","11.6719","0.0004","25.6378","0.0006","82.855","0.002","79.874","0.002","63.094","0.003","2961.17","0.17","100","2","100","2","","","","","","","","6","P -1","-P 1","2","","","","- C24 H33 N4 O12 Y Zn -","- C24 H33 N4 O12 Y Zn -","- C96 H132 N16 O48 Y4 Zn4 -","4","2","","Zabala-Lekuona, A.; Cepeda, J.; Oyarzabal, I.; Rodríguez-Diéguez, A.; García, J. A.; Seco, J. M.; Colacio, E.","Rational design of triple-bridged dinuclear ZnIILnIII-based complexes: a structural, magnetic and luminescence study","CrystEngComm","2017","19","2","256","","10.1039/C6CE02240E","","","1.54184","CuKα","","0.0393","0.0341","","","0.0861","0.0905","","","","","","1.016","","","","has coordinates","191546","2020-10-21","18:00:00",""
"7227174","11.3119","0.0004","11.6798","0.0006","25.6158","0.001","82.889","0.004","79.959","0.003","62.936","0.004","2963.8","0.2","100","2","100","2","","","","","","","","6","P -1","-P 1","2","","","","- C24 H33 Dy N4 O12 Zn -","- C24 H33 Dy N4 O12 Zn -","- C96 H132 Dy4 N16 O48 Zn4 -","4","2","","Zabala-Lekuona, A.; Cepeda, J.; Oyarzabal, I.; Rodríguez-Diéguez, A.; García, J. A.; Seco, J. M.; Colacio, E.","Rational design of triple-bridged dinuclear ZnIILnIII-based complexes: a structural, magnetic and luminescence study","CrystEngComm","2017","19","2","256","","10.1039/C6CE02240E","","","1.54184","CuKα","","0.0373","0.0338","","","0.0825","0.0851","","","","","","1.031","","","","has coordinates,has disorder","191546","2020-10-21","18:00:00",""
"7227175","11.278","0.0004","11.665","0.0005","25.6084","0.0008","82.789","0.003","79.834","0.003","63.148","0.004","2954.5","0.2","100","2","100","2","","","","","","","","6","P -1","-P 1","2","","","","- C24 H33 Er N4 O12 Zn -","- C24 H33 Er N4 O12 Zn -","- C96 H132 Er4 N16 O48 Zn4 -","4","2","","Zabala-Lekuona, A.; Cepeda, J.; Oyarzabal, I.; Rodríguez-Diéguez, A.; García, J. A.; Seco, J. M.; Colacio, E.","Rational design of triple-bridged dinuclear ZnIILnIII-based complexes: a structural, magnetic and luminescence study","CrystEngComm","2017","19","2","256","","10.1039/C6CE02240E","","","0.71073","MoKα","","0.0313","0.0262","","","0.0536","0.056","","","","","","1.028","","","","has coordinates","191546","2020-10-21","18:00:00",""
"7227176","11.1639","0.0004","11.7254","0.0005","25.6988","0.0008","83.027","0.003","79.709","0.003","62.765","0.004","2939.9","0.2","100","2","100","2","","","","","","","","6","P -1","-P 1","2","","","","- C24 H33 N4 O12 Tm Zn -","- C24 H33 N4 O12 Tm Zn -","- C96 H132 N16 O48 Tm4 Zn4 -","4","2","","Zabala-Lekuona, A.; Cepeda, J.; Oyarzabal, I.; Rodríguez-Diéguez, A.; García, J. A.; Seco, J. M.; Colacio, E.","Rational design of triple-bridged dinuclear ZnIILnIII-based complexes: a structural, magnetic and luminescence study","CrystEngComm","2017","19","2","256","","10.1039/C6CE02240E","","","1.54184","CuKα","","0.036","0.0339","","","0.085","0.0865","","","","","","1.074","","","","has coordinates,has disorder","191546","2020-10-21","18:00:00",""
"7227179","18.5413","0.0003","3.77083","0.00007","18.5858","0.0003","90","","93.6727","0.0017","90","","1296.78","0.04","183","2","183","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C7 H7 N O2 -","- C7 H7 N O2 -","- C56 H56 N8 O16 -","8","2","","Nievergelt, Philipp P.; Spingler, Bernhard","Growing single crystals of small molecules by thermal recrystallization, a viable option even for minute amounts of material?","CrystEngComm","2017","19","1","142","","10.1039/C6CE02222G","","","0.71073","MoKα","","0.0614","0.0505","","","0.1313","0.1382","","","","","","1.091","","","","has coordinates","191575","2020-10-21","18:00:00",""
"7227180","7.49441","0.0001","11.0643","0.00014","13.8036","0.00015","90","","92.9142","0.0011","90","","1143.12","0.02","183","2","183","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C15 H12 N2 O -","- C15 H12 N2 O -","- C60 H48 N8 O4 -","4","1","","Nievergelt, Philipp P.; Spingler, Bernhard","Growing single crystals of small molecules by thermal recrystallization, a viable option even for minute amounts of material?","CrystEngComm","2017","19","1","142","","10.1039/C6CE02222G","","","0.71073","MoKα","","0.0549","0.0426","","","0.12","0.1312","","","","","","1.077","","","","has coordinates","191575","2020-10-21","18:00:00",""
"7227181","35.2832","0.0009","35.2832","0.0009","5.20165","0.00013","90","","90","","120","","5608","0.2","183","2","183","2","","","","","","","","4","R -3 :H","-R 3","148","","","","- C15 H12.33 N2 O1.17 -","- C15 H12 N2 O1.1667 -","- C270 H216 N36 O21.0006 -","18","1","","Nievergelt, Philipp P.; Spingler, Bernhard","Growing single crystals of small molecules by thermal recrystallization, a viable option even for minute amounts of material?","CrystEngComm","2017","19","1","142","","10.1039/C6CE02222G","","","1.54184","CuKα","","0.0506","0.0474","","","0.1566","0.1608","","","","","","1.09","","","","has coordinates","191575","2020-10-21","18:00:00",""
"7227182","12.732","0.0002","14.2382","0.0002","21.2459","0.0005","81.567","0.001","73.329","0.001","80.109","0.001","3615.35","0.12","293","2","293","2","","","","","","","","6","P -1","-P 1","2","","","","- C67 H59 Cl3 Cu3 N12 O20 -","- C67 H55 Cl3 Cu3 N12 O20 -","- C134 H110 Cl6 Cu6 N24 O40 -","2","1","","Martínez-Benito, Carla; Pasán, Jorge; Martín, Tomás; Lago, Ana B.; Julve, Miguel; Ruiz-Pérez, Catalina","Tailor-made copper(ii) coordination polymers based on the C3 symmetric methanetriacetate as a ligand","CrystEngComm","2017","19","2","376","","10.1039/C6CE02351G","","","0.71073","MoKα","","0.1179","0.0626","","","0.1619","0.1934","","","","","","1.016","","","","has coordinates,has disorder","191552","2020-10-21","18:00:00",""
"7227183","13.1193","0.0005","14.2591","0.0006","14.4095","0.0005","60.4","0.004","86.909","0.003","83.559","0.003","2328.99","0.18","150","0.1","150","0.1","","","","","","","","6","P -1","-P 1","2","","","","- C74 H106 Cl2 Cu4 N12 O42 -","- C74 H106 Cl2 Cu4 N12 O42 -","- C74 H106 Cl2 Cu4 N12 O42 -","1","0.5","","Martínez-Benito, Carla; Pasán, Jorge; Martín, Tomás; Lago, Ana B.; Julve, Miguel; Ruiz-Pérez, Catalina","Tailor-made copper(ii) coordination polymers based on the C3 symmetric methanetriacetate as a ligand","CrystEngComm","2017","19","2","376","","10.1039/C6CE02351G","","","1.54184","CuKα","","0.0498","0.0446","","","0.1203","0.1254","","","","","","1.037","","","","has coordinates","191552","2020-10-21","18:00:00",""
"7227184","8.3536","0.0003","10.032","0.0004","10.2798","0.0004","87.419","0.004","86.088","0.003","78.661","0.004","842.26","0.06","150","0.1","150","0.1","","","","","","","","5","P -1","-P 1","2","","","","- C34 H33 Cu2 N4 O12.5 -","- C34 H32 Cu2 N4 O12.5 -","- C34 H32 Cu2 N4 O12.5 -","1","0.5","","Martínez-Benito, Carla; Pasán, Jorge; Martín, Tomás; Lago, Ana B.; Julve, Miguel; Ruiz-Pérez, Catalina","Tailor-made copper(ii) coordination polymers based on the C3 symmetric methanetriacetate as a ligand","CrystEngComm","2017","19","2","376","","10.1039/C6CE02351G","","","1.54184","CuKα","","0.0266","0.0257","","","0.0655","0.0662","","","","","","1.044","","","","has coordinates","191552","2020-10-21","18:00:00",""
"7227185","17.3178","0.0007","19.003","0.0003","25.7513","0.001","90","","136.335","0.007","90","","5851.1","0.8","150","0.2","150","0.1","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C54 H52 Cl2 Cu4 N8 O23 -","- C54 H52 Cl2 Cu4 N8 O23 -","- C216 H208 Cl8 Cu16 N32 O92 -","4","1","","Martínez-Benito, Carla; Pasán, Jorge; Martín, Tomás; Lago, Ana B.; Julve, Miguel; Ruiz-Pérez, Catalina","Tailor-made copper(ii) coordination polymers based on the C3 symmetric methanetriacetate as a ligand","CrystEngComm","2017","19","2","376","","10.1039/C6CE02351G","","","1.54184","CuKα","","0.0372","0.0326","","","0.0869","0.0909","","","","","","1.031","","","","has coordinates,has disorder","191552","2020-10-21","18:00:00",""
"7227186","22.535","0.003","22.535","0.003","29.635","0.006","90","","90","","120","","13033","4","100","2","100","2","","","","","","","","5","R 3 :H","R 3","146","","","","- C141 H167 Cu9 N21 O55 -","- C141 H135 Cu9 N21 O55 -","- C423 H405 Cu27 N63 O165 -","3","0.333333","","Martínez-Benito, Carla; Pasán, Jorge; Martín, Tomás; Lago, Ana B.; Julve, Miguel; Ruiz-Pérez, Catalina","Tailor-made copper(ii) coordination polymers based on the C3 symmetric methanetriacetate as a ligand","CrystEngComm","2017","19","2","376","","10.1039/C6CE02351G","","","0.7293","","","0.0668","0.0654","","","0.1803","0.1829","","","","","","1.059","","","","has coordinates","191552","2020-10-21","18:00:00",""
"7227187","23.6201","0.0004","23.6201","0.0004","13.6105","0.0003","90","","90","","120","","6576.1","0.2","293","2","293","2","","","","","","","","5","P -3 c 1","-P 3 2""c","165","","","","- C172 H304 Cu12 N48 O150 -","- C172 H124 Cu12 N36 O48 -","- C172 H124 Cu12 N36 O48 -","1","0.0833333","","Martínez-Benito, Carla; Pasán, Jorge; Martín, Tomás; Lago, Ana B.; Julve, Miguel; Ruiz-Pérez, Catalina","Tailor-made copper(ii) coordination polymers based on the C3 symmetric methanetriacetate as a ligand","CrystEngComm","2017","19","2","376","","10.1039/C6CE02351G","","","1.54184","CuKα","","0.0361","0.034","","","0.0938","0.0958","","","","","","1.088","","","","has coordinates,has disorder","191552","2020-10-21","18:00:00",""
"7227190","6.87","0.0018","8.309","0.002","22.23","0.006","90","","90","","90","","1269","0.6","298","2","298","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","phellandrene anhydride","5-methyl-8-(propan-2-yl)hexahydro-4,7-ethano-2-benzofuran-1,3-dione","","- C14 H18 O3 -","- C14 H18 O3 -","- C56 H72 O12 -","4","1","","Jezowski, Sebastian R.; Monaco, Stephen; Yennawar, Hemant P.; Wonderling, Nichole M.; Mathers, Robert T.; Schatschneider, Bohdan","Unusual physical behaviour and polymorphic phase transitions in crystalline bicyclic anhydrides","CrystEngComm","2017","19","2","276","","10.1039/C6CE02036D","","","0.71073","MoKα","","0.0568","0.0453","","","0.1109","0.1179","","","","","","1.065","","","","has coordinates","191549","2020-10-21","18:00:00",""
"7227191","6.9562","0.0018","8.559","0.002","21.752","0.006","90","","90","","90","","1295.1","0.6","298","2","298","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","5-methyl-8-(propan-2-yl)-3a,4,7,7a-tetrahydro-4,7-ethano-2-benzofuran-1,3-dione","","- C14 H20 O3 -","- C14 H20 O3 -","- C56 H80 O12 -","4","1","","Jezowski, Sebastian R.; Monaco, Stephen; Yennawar, Hemant P.; Wonderling, Nichole M.; Mathers, Robert T.; Schatschneider, Bohdan","Unusual physical behaviour and polymorphic phase transitions in crystalline bicyclic anhydrides","CrystEngComm","2017","19","2","276","","10.1039/C6CE02036D","","","0.71073","MoKα","","0.0688","0.0496","","","0.1315","0.1413","","","","","","1.012","","","","has coordinates","191549","2020-10-21","18:00:00",""
"7227192","6.53","0.0015","10.411","0.002","12.121","0.003","90","","97.062","0.004","90","","817.8","0.3","203","2","203","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","Bicyclo[2.2.2]oct-5-ene-2,3-dicarboxylic anhydride","","- C10 H10 O3 -","- C10 H10 O3 -","- C40 H40 O12 -","4","1","","Jezowski, Sebastian R.; Monaco, Stephen; Yennawar, Hemant P.; Wonderling, Nichole M.; Mathers, Robert T.; Schatschneider, Bohdan","Unusual physical behaviour and polymorphic phase transitions in crystalline bicyclic anhydrides","CrystEngComm","2017","19","2","276","","10.1039/C6CE02036D","","","0.71073","MoKα","","0.0535","0.0466","","","0.118","0.1233","","","","","","1.026","","","","has coordinates","191549","2020-10-21","18:00:00",""
"7227193","14.472","0.003","8.153","0.0017","14.494","0.003","90","","91.73","0.004","90","","1709.4","0.6","203","2","203","2","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","Bicyclo[2.2.2]octane-2-endo,3-endo-dicarboxylic acid anhydride","","- C10 H12 O3 -","- C10 H12 O3 -","- C80 H96 O24 -","8","2","","Jezowski, Sebastian R.; Monaco, Stephen; Yennawar, Hemant P.; Wonderling, Nichole M.; Mathers, Robert T.; Schatschneider, Bohdan","Unusual physical behaviour and polymorphic phase transitions in crystalline bicyclic anhydrides","CrystEngComm","2017","19","2","276","","10.1039/C6CE02036D","","","0.71073","MoKα","","0.0697","0.0506","","","0.1247","0.1359","","","","","","1.026","","","","has coordinates","191549","2020-10-21","18:00:00",""
"7227194","13.453","0.003","5.8751","0.0012","17.417","0.004","90","","101.5","0.03","90","","1349","0.5","298","2","298","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C14 H15 Cl N2 O2 -","- C14 H15 Cl N2 O2 -","- C56 H60 Cl4 N8 O8 -","4","1","","Lazić, Anita; Trišović, Nemanja; Radovanović, Lidija; Rogan, Jelena; Poleti, Dejan; Vitnik, Željko; Vitnik, Vesna; Ušćumlić, Gordana","Towards understanding intermolecular interactions in hydantoin derivatives: the case of cycloalkane-5-spirohydantoins tethered with a halogenated benzyl moiety","CrystEngComm","2017","19","3","469","","10.1039/C6CE02210C","","x-ray","0.71073","MoKα","","0.0657","0.0569","","","0.1231","0.1279","","","","","","1.107","","","","has coordinates","191564","2020-10-21","18:00:00",""
"7227195","13.622","0.003","5.926","0.0012","17.379","0.004","90","","101","0.03","90","","1377.1","0.5","294","2","294","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C14 H15 Br N2 O2 -","- C14 H15 Br N2 O2 -","- C56 H60 Br4 N8 O8 -","4","1","","Lazić, Anita; Trišović, Nemanja; Radovanović, Lidija; Rogan, Jelena; Poleti, Dejan; Vitnik, Željko; Vitnik, Vesna; Ušćumlić, Gordana","Towards understanding intermolecular interactions in hydantoin derivatives: the case of cycloalkane-5-spirohydantoins tethered with a halogenated benzyl moiety","CrystEngComm","2017","19","3","469","","10.1039/C6CE02210C","","x-ray","0.71073","MoKα","","0.0553","0.0389","","","0.0833","0.0901","","","","","","1.023","","","","has coordinates","191564","2020-10-21","18:00:00",""
"7227196","13.287","0.003","5.9132","0.0012","18.536","0.004","90","","99.09","0.03","90","","1438.1","0.5","295","2","295","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C15 H17 Cl N2 O2 -","- C15 H17 Cl N2 O2 -","- C60 H68 Cl4 N8 O8 -","4","1","","Lazić, Anita; Trišović, Nemanja; Radovanović, Lidija; Rogan, Jelena; Poleti, Dejan; Vitnik, Željko; Vitnik, Vesna; Ušćumlić, Gordana","Towards understanding intermolecular interactions in hydantoin derivatives: the case of cycloalkane-5-spirohydantoins tethered with a halogenated benzyl moiety","CrystEngComm","2017","19","3","469","","10.1039/C6CE02210C","","x-ray","0.71073","MoKα","","0.0597","0.0477","","","0.1109","0.1173","","","","","","1.071","","","","has coordinates","191564","2020-10-21","18:00:00",""
"7227197","13.505","0.003","5.9344","0.0012","18.587","0.004","90","","97.49","0.03","90","","1476.9","0.6","295","2","295","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C15 H17 Br N2 O2 -","- C15 H17 Br N2 O2 -","- C60 H68 Br4 N8 O8 -","4","1","","Lazić, Anita; Trišović, Nemanja; Radovanović, Lidija; Rogan, Jelena; Poleti, Dejan; Vitnik, Željko; Vitnik, Vesna; Ušćumlić, Gordana","Towards understanding intermolecular interactions in hydantoin derivatives: the case of cycloalkane-5-spirohydantoins tethered with a halogenated benzyl moiety","CrystEngComm","2017","19","3","469","","10.1039/C6CE02210C","","x-ray","0.71073","MoKα","","0.0768","0.0686","","","0.154","0.163","","","","","","1.174","","","","has coordinates","191564","2020-10-21","18:00:00",""
"7227198","6.434","0.0013","13.594","0.003","18.649","0.004","72.12","0.03","84.92","0.03","84.41","0.03","1542","0.6","294","2","294","2","","","","","","","","5","P -1","-P 1","2","","","","- C16 H19 Cl N2 O2 -","- C16 H19 Cl N2 O2 -","- C64 H76 Cl4 N8 O8 -","4","2","","Lazić, Anita; Trišović, Nemanja; Radovanović, Lidija; Rogan, Jelena; Poleti, Dejan; Vitnik, Željko; Vitnik, Vesna; Ušćumlić, Gordana","Towards understanding intermolecular interactions in hydantoin derivatives: the case of cycloalkane-5-spirohydantoins tethered with a halogenated benzyl moiety","CrystEngComm","2017","19","3","469","","10.1039/C6CE02210C","","x-ray","0.71073","MoKα","","0.0807","0.0566","","","0.1236","0.1355","","","","","","1.049","","","","has coordinates","191564","2020-10-21","18:00:00",""
"7227199","6.4576","0.0013","13.713","0.003","18.624","0.004","72.03","0.03","84.97","0.03","84.93","0.03","1559.4","0.6","298","2","298","2","","","","","","","","5","P -1","-P 1","2","","","","- C16 H19 Br N2 O2 -","- C16 H19 Br N2 O2 -","- C64 H76 Br4 N8 O8 -","4","2","","Lazić, Anita; Trišović, Nemanja; Radovanović, Lidija; Rogan, Jelena; Poleti, Dejan; Vitnik, Željko; Vitnik, Vesna; Ušćumlić, Gordana","Towards understanding intermolecular interactions in hydantoin derivatives: the case of cycloalkane-5-spirohydantoins tethered with a halogenated benzyl moiety","CrystEngComm","2017","19","3","469","","10.1039/C6CE02210C","","x-ray","0.71073","MoKα","","0.069","0.0452","","","0.1222","0.1357","","","","","","1.068","","","","has coordinates","191564","2020-10-21","18:00:00",""
"7227200","12.8199","0.0009","12.8199","0.0009","32.617","0.004","90","","90","","90","","5360.6","0.8","293","2","293","2","","","","","","","","7","I 4 2 2","I 4 2","97","","","","- C54 H52 B2 Cu F7.97 N4 O4 -","- C54 H52 B2 Cu F7.931 N4 O4 -","- C216 H208 B8 Cu4 F31.724 N16 O16 -","4","0.25","","Mocanu, Teodora; Pop, Lidia; Hădade, Niculina D.; Shova, Sergiu; Grosu, Ion; Andruh, Marius","Coordination polymers constructed from tetrahedral-shaped adamantane tectons","CrystEngComm","2017","19","1","27","","10.1039/C6CE02146H","","x-ray","1.54184","CuKα","","0.1507","0.1033","","","0.2671","0.3199","","","","","","1.086","","","","has coordinates,has disorder","191576","2020-10-21","18:00:00",""
"7227201","11.645","0.005","11.645","0.005","52.7","0.005","90","0.005","90","0.005","90","0.005","7146","4","293","2","293","2","","","","","","","","6","I 41/a","-I 4ad","88","","","","- C29 H16 F12 Mn N2 O4 -","- C29 H16 F12 Mn N2 O4 -","- C232 H128 F96 Mn8 N16 O32 -","8","","","Mocanu, Teodora; Pop, Lidia; Hădade, Niculina D.; Shova, Sergiu; Grosu, Ion; Andruh, Marius","Coordination polymers constructed from tetrahedral-shaped adamantane tectons","CrystEngComm","2017","19","1","27","","10.1039/C6CE02146H","","","0.71069","MoKα","","0.1674","0.0604","","","0.1342","0.1807","","","","","","0.885","","","","has coordinates","191576","2020-10-21","18:00:00",""
"7227202","23.729","0.003","24.75","0.003","16.918","0.002","90","","119.249","0.002","90","","8669","1.8","296","2","296","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C30 H78 Mo12 N12 O61 Sb2 -","- C30 H44 Mo12 N12 O61 Sb2 -","- C120 H176 Mo48 N48 O244 Sb8 -","4","0.5","","Wang, Jin; Liang, Yanfen; Ma, Pengtao; Zhang, Dongdi; Niu, Jingyang; Wang, Jingping","Ligand-controlled formation of covalently modified antimoniomolybdates and their photochromic properties","CrystEngComm","2017","19","2","207","","10.1039/C6CE02343F","","","0.71073","MoKα","","0.042","0.0356","","","0.1018","0.1056","","","","","","1.049","","","","has coordinates","191548","2020-10-21","18:00:00",""
"7227203","11.2428","0.0007","13.9571","0.0009","19.478","0.0013","105.855","0.001","103.033","0.001","103.153","0.001","2724.7","0.3","296","2","296","2","","","","","","","","6","P -1","-P 1","2","","","","- C30 H96 Mo12 N12 O62 Sb2 -","- C30 H46 Mo12 N12 O62 Sb2 -","- C30 H46 Mo12 N12 O62 Sb2 -","1","0.5","","Wang, Jin; Liang, Yanfen; Ma, Pengtao; Zhang, Dongdi; Niu, Jingyang; Wang, Jingping","Ligand-controlled formation of covalently modified antimoniomolybdates and their photochromic properties","CrystEngComm","2017","19","2","207","","10.1039/C6CE02343F","","","0.71073","MoKα","","0.0777","0.0562","","","0.166","0.1804","","","","","","1.077","","","","has coordinates,has disorder","191548","2020-10-21","18:00:00",""
"7227204","36.2075","0.0012","36.2075","0.0012","36.2075","0.0012","90","","90","","90","","47467","3","296","2","296.15","","","","","","","","","6","F d -3 m","-F 4vw 2vw 3","227","","","","- C36 H124 Mo24 N24 O116 Sb4 -","- C36 H12 Mo24 O108 Sb4 -","- C288 H96 Mo192 O864 Sb32 -","8","","","Wang, Jin; Liang, Yanfen; Ma, Pengtao; Zhang, Dongdi; Niu, Jingyang; Wang, Jingping","Ligand-controlled formation of covalently modified antimoniomolybdates and their photochromic properties","CrystEngComm","2017","19","2","207","","10.1039/C6CE02343F","","","0.71073","MoKα","","0.0322","0.0273","","","0.0839","0.0875","","","","","","1.042","","","","has coordinates","191548","2020-10-21","18:00:00",""
"7227205","10.3655","0.001","11.8975","0.0012","18.6068","0.0018","76.136","0.002","80.465","0.002","84.056","0.002","2192.1","0.4","293","2","293","2","","","","","","","","6","P -1","-P 1","2","","","","- C12 H39 Mo6 N6 O30 Sb -","- C12 H9 Mo6 N6 O34 Sb -","- C24 H18 Mo12 N12 O68 Sb2 -","2","1","","Wang, Jin; Liang, Yanfen; Ma, Pengtao; Zhang, Dongdi; Niu, Jingyang; Wang, Jingping","Ligand-controlled formation of covalently modified antimoniomolybdates and their photochromic properties","CrystEngComm","2017","19","2","207","","10.1039/C6CE02343F","","","0.71073","MoKα","","0.0536","0.0449","","","0.1226","0.1274","","","","","","1.045","","","","has coordinates","191548","2020-10-21","18:00:00",""
"7227206","9.3202","0.001","10.5724","0.0012","14.7777","0.0016","88.561","0.002","85.685","0.002","81.729","0.002","1436.8","0.3","293","2","293","2","","","","","","","","5","P -1","-P 1","2","Olanzapine-hydroquinone-toluene form II","","","- C30 H34 N4 O2 S -","- C30 H34 N4 O2 S -","- C60 H68 N8 O4 S2 -","2","1","","Nanubolu, Jagadeesh Babu; Ravikumar, Krishnan","Designing a new cocrystal of olanzapine drug and observation of concomitant polymorphism in a ternary cocrystal system","CrystEngComm","2017","19","2","355","","10.1039/C6CE02227H","","","0.71073","MoKα","","0.0865","0.0611","","","0.1497","0.1644","","","","","","1.054","","","","has coordinates","191551","2020-10-21","18:00:00",""
"7227207","10.6675","0.0014","11.6121","0.0015","13.0639","0.0017","72.725","0.002","74.29","0.002","65.743","0.002","1388.1","0.3","294","2","294","2","","","","","","","","5","P -1","-P 1","2","Olanzapine-hydroquinone-toluene form I","","","- C30 H34 N4 O2 S -","- C30 H34 N4 O2 S -","- C60 H68 N8 O4 S2 -","2","1","","Nanubolu, Jagadeesh Babu; Ravikumar, Krishnan","Designing a new cocrystal of olanzapine drug and observation of concomitant polymorphism in a ternary cocrystal system","CrystEngComm","2017","19","2","355","","10.1039/C6CE02227H","","","0.71073","MoKα","","0.0788","0.0656","","","0.1671","0.1777","","","","","","1.112","","","","has coordinates","191551","2020-10-21","18:00:00",""
"7227208","5.1207","0.0005","9.1029","0.0008","24.816","0.002","90","","90","","90","","1156.75","0.18","100","2","100","2","","","","","","","synthesis as described","4","P 21 21 21","P 2ac 2ab","19","","","","- C10 H F11 N2 -","- C10 H F11 N2 -","- C40 H4 F44 N8 -","4","1","","Quesada-Moreno, María M; Avilés-Moreno, Juan Ramón; López-González, Juan Jesús; Jacob, Kane; Vendier, Laure; Etienne, Michel; Alkorta, Ibon; Elguero, José; Claramunt, Rosa M.","Supramolecular organization of perfluorinated 1H-indazoles in the solid state using X-ray crystallography, SSNMR and sensitive (VCD) and non sensitive (MIR, FIR and Raman) to chirality vibrational spectroscopies.","Physical chemistry chemical physics : PCCP","2017","19","2","1632","1643","10.1039/c6cp04940k","","x-ray","1.54178","CuKα","","0.0693","0.0625","","","0.1506","0.1542","","","","","","1.161","","","","has coordinates","191758","2020-10-21","18:00:00",""
"7227209","12.4065","0.0003","12.4065","0.0003","5.5725","0.0002","90","","90","","120","","742.81","0.04","110","2","110","2","","","","","","","synthesis as described","4","P 32","P 32","145","","","","- C9 H F9 N2 -","- C9 H F9 N2 -","- C27 H3 F27 N6 -","3","1","","Quesada-Moreno, María M; Avilés-Moreno, Juan Ramón; López-González, Juan Jesús; Jacob, Kane; Vendier, Laure; Etienne, Michel; Alkorta, Ibon; Elguero, José; Claramunt, Rosa M.","Supramolecular organization of perfluorinated 1H-indazoles in the solid state using X-ray crystallography, SSNMR and sensitive (VCD) and non sensitive (MIR, FIR and Raman) to chirality vibrational spectroscopies.","Physical chemistry chemical physics : PCCP","2017","19","2","1632","1643","10.1039/c6cp04940k","","x-ray","1.54184","CuKα","","0.0238","0.023","","","0.0593","0.0606","","","","","","1.105","","","","has coordinates","191758","2020-10-21","18:00:00",""
"7227210","12.3863","0.0007","12.3863","0.0007","5.5727","0.0003","90","","90","","120","","740.42","0.07","100","","100","","","","","","","","","4","P 32","P 32","145","","","","- C9 H F9 N2 -","- C9 H F9 N2 -","- C27 H3 F27 N6 -","3","1","","Quesada-Moreno, María M; Avilés-Moreno, Juan Ramón; López-González, Juan Jesús; Jacob, Kane; Vendier, Laure; Etienne, Michel; Alkorta, Ibon; Elguero, José; Claramunt, Rosa M.","Supramolecular organization of perfluorinated 1H-indazoles in the solid state using X-ray crystallography, SSNMR and sensitive (VCD) and non sensitive (MIR, FIR and Raman) to chirality vibrational spectroscopies.","Physical chemistry chemical physics : PCCP","2017","19","2","1632","1643","10.1039/c6cp04940k","","","1.5418","CuKα","","0.0278","0.0276","","0.0688","0.0686","0.0688","","","","","","0.9188","","","","has coordinates","191758","2020-10-21","18:00:00",""
"7227211","16.3324","0.001","7.7981","0.0005","15.33","0.0009","90","","101.178","0.001","90","","1915.4","0.2","120","2","120","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C25 H23 N O3 -","- C25 H23 N O3 -","- C100 H92 N4 O12 -","4","1","","Panchenko, Pavel A.; Arkhipova, Antonina N.; Fedorova, Olga A.; Fedorov, Yuri V.; Zakharko, Marina A.; Arkhipov, Dmitry E.; Jonusauskas, Gediminas","Controlling photophysics of styrylnaphthalimides through TICT, fluorescence and E,Z-photoisomerization interplay.","Physical chemistry chemical physics : PCCP","2017","19","2","1244","1256","10.1039/c6cp07255k","","","0.71073","MoKα","","0.0817","0.0506","","","0.1302","0.1573","","","","","","1.022","","","","has coordinates","191759","2020-10-21","18:00:00",""
"7227212","12.6799","0.0007","9.0474","0.0005","18.899","0.001","90","","103.126","0.001","90","","2111.4","0.2","120","2","120","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C26 H25 N O4 -","- C26 H25 N O4 -","- C104 H100 N4 O16 -","4","1","","Panchenko, Pavel A.; Arkhipova, Antonina N.; Fedorova, Olga A.; Fedorov, Yuri V.; Zakharko, Marina A.; Arkhipov, Dmitry E.; Jonusauskas, Gediminas","Controlling photophysics of styrylnaphthalimides through TICT, fluorescence and E,Z-photoisomerization interplay.","Physical chemistry chemical physics : PCCP","2017","19","2","1244","1256","10.1039/c6cp07255k","","","0.71073","MoKα","","0.0768","0.0506","","","0.1024","0.1147","","","","","","1.019","","","","has coordinates","191759","2020-10-21","18:00:00",""
"7227213","7.466","0.0013","13.752","0.002","20.182","0.003","82.47","0.004","84.186","0.004","89.182","0.004","2043.7","0.6","100","2","100","2","","","","","","","","4","P -1","-P 1","2","","","","- C26 H26 N2 O2 -","- C26 H26 N2 O2 -","- C104 H104 N8 O8 -","4","2","","Panchenko, Pavel A.; Arkhipova, Antonina N.; Fedorova, Olga A.; Fedorov, Yuri V.; Zakharko, Marina A.; Arkhipov, Dmitry E.; Jonusauskas, Gediminas","Controlling photophysics of styrylnaphthalimides through TICT, fluorescence and E,Z-photoisomerization interplay.","Physical chemistry chemical physics : PCCP","2017","19","2","1244","1256","10.1039/c6cp07255k","","","0.71073","MoKα","","0.0873","0.0479","","","0.1144","0.1413","","","","","","1.009","","","","has coordinates","191759","2020-10-21","18:00:00",""
"7227216","4.7532","0.0001","8.1538","0.0002","10.0237","0.0002","113.997","0.001","91.275","0.001","90.003","0.001","354.801","0.014","296","2","296","2","","","","","","","","5","P 1","P 1","1","","","","- C12 H16 Cl2 N2 O2 -","- C12 H16 Cl2 N2 O2 -","- C12 H16 Cl2 N2 O2 -","1","1","","Valdo, Ana Karoline Silva Mendanha; da Silva, Cameron Capeletti; Maia, Lauro June Queiroz; Sarotti, Ariel M.; Martins, Felipe T.","Experimental and theoretical second harmonic generation and photoluminescence from the pseudo-centrosymmetric dihydrochloride salt dihydrate of trans-1,2-bis(4-pyridyl)ethene","CrystEngComm","2017","19","2","346","","10.1039/C6CE02229D","","","0.71073","MoKα","","0.0553","0.0493","","","0.1342","0.1569","","","","","","1.109","","","","has coordinates,has disorder","191547","2020-10-21","18:00:00",""
"7227217","7.2247","0.0005","10.4855","0.0009","10.8336","0.0009","64.61","0.002","85.799","0.003","79.794","0.003","729.69","0.1","270","","270","","","","","","","","","6","P -1","-P 1","2","","","","- C24 H15 As F6 O8 S8 -","- C24 H15 As F6 O8 S8 -","- C24 H15 As F6 O8 S8 -","1","0.5","","Yoshida, Junya; Ueda, Akira; Kumai, Reiji; Murakami, Youichi; Mori, Hatsumi","Anion substitution in hydrogen-bonded organic conductors: the chemical pressure effect on hydrogen-bond-mediated phase transition","CrystEngComm","2017","19","2","367","","10.1039/C6CE01763K","","","1","synchrotron","","0.0431","0.0403","","","0.1065","0.1081","","","","","","1.108","","","","has coordinates","191550","2020-10-21","18:00:00",""
"7227218","7.1809","0.0005","9.8084","0.0009","10.8511","0.0011","66.647","0.002","84.88","0.003","78.699","0.003","688.01","0.11","150","","150","","","","","","","","","5","P -1","-P 1","2","","","","- C24 H15 Cl O12 S8 -","- C24 H15 Cl O12 S8 -","- C24 H15 Cl O12 S8 -","1","0.5","","Yoshida, Junya; Ueda, Akira; Kumai, Reiji; Murakami, Youichi; Mori, Hatsumi","Anion substitution in hydrogen-bonded organic conductors: the chemical pressure effect on hydrogen-bond-mediated phase transition","CrystEngComm","2017","19","2","367","","10.1039/C6CE01763K","","","1","synchrotron","","0.0481","0.0446","","","0.1277","0.1317","","","","","","1.103","","","","has coordinates","191550","2020-10-21","18:00:00",""
"7227219","7.2808","0.0004","9.8586","0.0008","10.866","0.0008","66.382","0.002","85.05","0.003","78.872","0.003","701.14","0.09","298","","298","","","","","","","","","5","P -1","-P 1","2","","","","- C24 H15 Cl O12 S8 -","- C24 H15 Cl O12 S8 -","- C24 H15 Cl O12 S8 -","1","0.5","","Yoshida, Junya; Ueda, Akira; Kumai, Reiji; Murakami, Youichi; Mori, Hatsumi","Anion substitution in hydrogen-bonded organic conductors: the chemical pressure effect on hydrogen-bond-mediated phase transition","CrystEngComm","2017","19","2","367","","10.1039/C6CE01763K","","","1","synchrotron","","0.0487","0.0455","","","0.134","0.1375","","","","","","1.097","","","","has coordinates","191550","2020-10-21","18:00:00",""
"7227220","7.2244","0.0002","9.7489","0.0003","10.8919","0.0007","66.7372","0.001","85.5145","0.0013","79.0594","0.0012","691.94","0.05","240","","240","","","","","","","","","6","P -1","-P 1","2","","","","- C24 H15 B F4 O8 S8 -","- C24 H15 B F4 O8 S8 -","- C24 H15 B F4 O8 S8 -","1","0.5","","Yoshida, Junya; Ueda, Akira; Kumai, Reiji; Murakami, Youichi; Mori, Hatsumi","Anion substitution in hydrogen-bonded organic conductors: the chemical pressure effect on hydrogen-bond-mediated phase transition","CrystEngComm","2017","19","2","367","","10.1039/C6CE01763K","","","1","synchrotron","","0.0429","0.0381","","","0.1082","0.1115","","","","","","1.058","","","","has coordinates","191550","2020-10-21","18:00:00",""
"7227221","7.2482","0.0002","10.268","0.0003","10.8587","0.0007","65.3729","0.001","85.6015","0.0012","79.458","0.0012","722.24","0.06","270","","270","","","","","","","","","6","P -1","-P 1","2","","","","- C24 H15 F6 O8 P S8 -","- C24 H15 F6 O8 P S8 -","- C24 H15 F6 O8 P S8 -","1","0.5","","Yoshida, Junya; Ueda, Akira; Kumai, Reiji; Murakami, Youichi; Mori, Hatsumi","Anion substitution in hydrogen-bonded organic conductors: the chemical pressure effect on hydrogen-bond-mediated phase transition","CrystEngComm","2017","19","2","367","","10.1039/C6CE01763K","","","1","synchrotron","","0.0555","0.0546","","","0.1462","0.1478","","","","","","1.067","","","","has coordinates","191550","2020-10-21","18:00:00",""
"7227222","6.6847","0.0005","8.2593","0.0007","12.7076","0.0012","71.172","0.004","85.353","0.003","72.077","0.003","631.7","0.09","110","2","110","2","","","","","","","","5","P -1","-P 1","2","","5-bromo-2,3-difluorophenyl 4-methoxybenzoate","","- C14 H9 Br F2 O3 -","- C14 H9 Br F2 O3 -","- C28 H18 Br2 F4 O6 -","2","1","","Gautam, Prashant; Kathe, Prasad; Bhanage, Bhalchandra M.","Pd/C catalyzed phenoxycarbonylation using N-formylsaccharin as a CO surrogate in propylene carbonate, a sustainable solvent","Green Chem.","2017","19","3","823","","10.1039/C6GC03027K","","","0.71073","MoKα","","0.0363","0.0282","","","0.0575","0.06","","","","","","1.061","","","","has coordinates","193862","2020-10-21","18:00:00",""
"7227231","3.61996","0.00017","12.9546","0.0005","7.0224","0.0004","90","","94.632","0.003","90","","328.24","0.03","100","","100","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C6 H8 N4 O2 -","- C6 H8 N4 O2 -","- C12 H16 N8 O4 -","2","0.5","","Sato, M.; Takeda, T.; Hoshino, N.; Akutagawa, T.","Electronic and crystal structures of 1,2,3-triazole-fused p-benzoquinone derivatives","CrystEngComm","2017","19","6","910","","10.1039/C6CE02167K","","","1.54187","CuKα","","0.0564","0.0505","","","0.1354","0.1434","","","","","","1.143","","","","has coordinates","193760","2020-10-21","18:00:00",""
"7227232","10.76606","0.00019","8.25767","0.00015","17.3938","0.0003","90","","90","","90","","1546.35","0.05","293","","293","","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C14 H24 N4 O2 -","- C14 H24 N4 O2 -","- C56 H96 N16 O8 -","4","0.5","","Sato, M.; Takeda, T.; Hoshino, N.; Akutagawa, T.","Electronic and crystal structures of 1,2,3-triazole-fused p-benzoquinone derivatives","CrystEngComm","2017","19","6","910","","10.1039/C6CE02167K","","","1.54187","CuKα","","0.0498","0.0484","","","0.1185","0.1198","","","","","","1.104","","","","has coordinates","193760","2020-10-21","18:00:00",""
"7227233","3.68405","0.00013","13.8967","0.0004","8.7734","0.0003","90","","101.475","0.002","90","","440.19","0.03","100","","100","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C6 H6 N6 O4 -","- C6 H4 N6 O4 -","- C12 H8 N12 O8 -","2","0.5","","Sato, M.; Takeda, T.; Hoshino, N.; Akutagawa, T.","Electronic and crystal structures of 1,2,3-triazole-fused p-benzoquinone derivatives","CrystEngComm","2017","19","6","910","","10.1039/C6CE02167K","","","1.54187","CuKα","","0.0717","0.0658","","","0.1878","0.1943","","","","","","1.084","","","","has coordinates","193760","2020-10-21","18:00:00",""
"7227234","7.5718","0.0003","8.46267","0.00018","8.7904","0.0002","102.057","0.0014","102.489","0.0018","101.212","0.0018","520.6","0.03","100","","100","","","","","","","","","4","P -1","-P 1","2","","","","- C18 H32 N8 O2 -","- C18 H32 N8 O2 -","- C18 H32 N8 O2 -","1","0.5","","Sato, M.; Takeda, T.; Hoshino, N.; Akutagawa, T.","Electronic and crystal structures of 1,2,3-triazole-fused p-benzoquinone derivatives","CrystEngComm","2017","19","6","910","","10.1039/C6CE02167K","","","1.54187","CuKα","","0.0587","0.0496","","","0.1301","0.1469","","","","","","1.084","","","","has coordinates","193760","2020-10-21","18:00:00",""
"7227235","10.5475","","20.4313","","6.8444","","90","","109.458","","90","","1390.72","","100","","100","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C32 H22 N8 O8 -","- C32 H22 N8 O8 -","- C64 H44 N16 O16 -","2","0.5","","Sato, M.; Takeda, T.; Hoshino, N.; Akutagawa, T.","Electronic and crystal structures of 1,2,3-triazole-fused p-benzoquinone derivatives","CrystEngComm","2017","19","6","910","","10.1039/C6CE02167K","","","1.54187","CuKα","","0.0669","0.0525","","","0.1322","0.1461","","","","","","1.106","","","","has coordinates","193760","2020-10-21","18:00:00",""
"7227236","9.6805","0.0002","3.52584","0.00008","14.4065","0.0003","90","","106.805","0.0013","90","","470.722","0.018","100","","100","","","","","","","","","5","P 1 2/n 1","-P 2yac","13","","","","- C6 H4 N6 Na O4 -","- C6 H6 N6 Na O4 -","- C12 H12 N12 Na2 O8 -","2","0.5","","Sato, M.; Takeda, T.; Hoshino, N.; Akutagawa, T.","Electronic and crystal structures of 1,2,3-triazole-fused p-benzoquinone derivatives","CrystEngComm","2017","19","6","910","","10.1039/C6CE02167K","","","1.54187","CuKα","","0.0604","0.0577","","","0.1656","0.17","","","","","","1.085","","","","has coordinates","193760","2020-10-21","18:00:00",""
"7227237","6.46087","0.00012","5.62884","0.00012","9.37402","0.00017","90","","99.3001","0.0009","90","","336.426","0.011","100","","100","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C6 H2 N6 O2 -","- C6 H2 N6 O2 -","- C12 H4 N12 O4 -","2","0.5","","Sato, M.; Takeda, T.; Hoshino, N.; Akutagawa, T.","Electronic and crystal structures of 1,2,3-triazole-fused p-benzoquinone derivatives","CrystEngComm","2017","19","6","910","","10.1039/C6CE02167K","","","1.54187","CuKα","","0.0457","0.0421","","","0.1079","0.1103","","","","","","1.087","","","","has coordinates","193760","2020-10-21","18:00:00",""
"7227238","10.0971","","19.4344","","7.5505","","90","","90.629","","90","","1481.55","","100","","100","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C36 H12 N8 O8 -","- C36 H12 N8 O8 -","- C72 H24 N16 O16 -","2","0.5","","Sato, M.; Takeda, T.; Hoshino, N.; Akutagawa, T.","Electronic and crystal structures of 1,2,3-triazole-fused p-benzoquinone derivatives","CrystEngComm","2017","19","6","910","","10.1039/C6CE02167K","","","1.54187","CuKα","","0.0566","0.0521","","","0.1557","0.1605","","","","","","1.1","","","","has coordinates","193760","2020-10-21","18:00:00",""
"7227241","23.0687","0.0014","23.0687","0.0014","20.7587","0.0017","90","","90","","120","","9567","1.1","173","2","173","2","","","","","","","","5","P -3","-P 3","147","","","","- C24 H15 N3 O15 Zn3 -","- C24 H15 N3 O15 Zn3 -","- C144 H90 N18 O90 Zn18 -","6","1","","Li, Qipeng; Luo, Jiagang; Wang, Lei; Qi, Cen; Yang, Yongsheng; Zhang, Xinjun; Qian, Jinjie","Two cage-based zinc-tetracarboxylate frameworks with white-light emission","CrystEngComm","2017","19","2","214","","10.1039/C6CE02281B","","","0.71073","MoKα","","0.1378","0.1126","","","0.2952","0.3127","","","","","","1.007","","","","has coordinates","191553","2020-10-21","18:00:00",""
"7227242","38.569","0.009","38.569","0.009","28.647","0.009","90","","90","","120","","36905","17","173","2","173","2","","","","","","","","5","R -3 :H","-R 3","148","","","","- C32 H20 N4 O20 Zn4 -","- C32 H20 N4 O20 Zn4 -","- C576 H360 N72 O360 Zn72 -","18","1","","Li, Qipeng; Luo, Jiagang; Wang, Lei; Qi, Cen; Yang, Yongsheng; Zhang, Xinjun; Qian, Jinjie","Two cage-based zinc-tetracarboxylate frameworks with white-light emission","CrystEngComm","2017","19","2","214","","10.1039/C6CE02281B","","","0.71073","MoKα","","0.1442","0.1307","","","0.4007","0.4265","","","","","","1.053","","","","has coordinates","191553","2020-10-21","18:00:00",""
"7227243","6.7854","0.0003","8.2932","0.0003","9.432","0.0003","97.567","0.002","107.241","0.002","97.513","0.002","494.35","0.03","103","2","103","2","","","","","","","","4","P -1","-P 1","2","","","","- C26 H10 F4 N4 -","- C26 H10 F4 N4 -","- C26 H10 F4 N4 -","1","0.5","","Hu, Peng; Li, Henan; Li, Yongxin; Jiang, Hui; Kloc, Christian","Single-crystal growth, structures, charge transfer and transport properties of anthracene-F4TCNQ and tetracene-F4TCNQ charge-transfer compounds","CrystEngComm","2017","19","4","618","","10.1039/C6CE02116F","","","1.54178","CuKα","","0.1374","0.1271","","","0.3802","0.3883","","","","","","1.624","","","","has coordinates","191554","2020-10-21","18:00:00",""
"7227244","8.6573","0.0011","7.1501","0.001","18.754","0.003","90","","96.93","0.009","90","","1152.4","0.3","103","","103","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C30 H12 F4 N4 -","- C30 H12 F4 N4 -","- C60 H24 F8 N8 -","2","0.5","","Hu, Peng; Li, Henan; Li, Yongxin; Jiang, Hui; Kloc, Christian","Single-crystal growth, structures, charge transfer and transport properties of anthracene-F4TCNQ and tetracene-F4TCNQ charge-transfer compounds","CrystEngComm","2017","19","4","618","","10.1039/C6CE02116F","","x-ray","0.71073","MoKα","","0.0987","0.0399","","","0.0387","0.0433","","","","1.9","1.9","1.45","","","","has coordinates","191554","2020-10-21","18:00:00",""
"7227245","13.1253","0.0002","7.86257","0.00013","11.71964","0.00016","90","","90","","90","","1209.45","0.03","250","0.1","250","0.1","","","","","","","","6","P c a 21","P 2c -2ac","29","dabco ditetrafluoroborate monohydrate","","","- C6 H16 B2 F8 N2 O -","- C6 H16 B2 F8 N2 O -","- C24 H64 B8 F32 N8 O4 -","4","1","","Szafrański, Marek","Comment on “1,4-Diazabicyclo[2.2.2]octane-based disalts showing non-centrosymmetric structures and phase transition behaviors” by X.-B. Han, P. Hu, C. Shi and W. Zhang, CrystEngComm, 2016, 18, 1563","CrystEngComm","2017","19","1","179","","10.1039/C6CE01469K","","","0.71073","MoKα","","0.0446","0.0407","","","0.1101","0.1135","","","","","","1.053","","","","has coordinates","191580","2020-10-21","18:00:00",""
"7227246","7.8089","0.00018","11.6361","0.0002","12.9991","0.0003","90.0033","0.0017","89.9908","0.0018","90.0086","0.0018","1181.17","0.04","150","0.1","150","0.1","","","","","","","","6","P 1","P 1","1","dabco ditetrafluoroborate monohydrate","","","- C6 H16 B2 F8 N2 O -","- C6 H16 B2 F8 N2 O -","- C24 H64 B8 F32 N8 O4 -","4","4","","Szafrański, Marek","Comment on “1,4-Diazabicyclo[2.2.2]octane-based disalts showing non-centrosymmetric structures and phase transition behaviors” by X.-B. Han, P. Hu, C. Shi and W. Zhang, CrystEngComm, 2016, 18, 1563","CrystEngComm","2017","19","1","179","","10.1039/C6CE01469K","","","0.71073","MoKα","","0.0246","0.0235","","","0.0577","0.0584","","","","","","1.071","","","","has coordinates","191580","2020-10-21","18:00:00",""
"7227247","13.3063","0.0002","8.0603","0.0001","11.7787","0.0001","90","","90","","90","","1263.3","0.03","260","0.1","260","0.1","","","","","","","","5","P c a 21","P 2c -2ac","29","dabco diperchlorate monohydrate","","","- C6 H16 Cl2 N2 O9 -","- C6 H16 Cl2 N2 O9 -","- C24 H64 Cl8 N8 O36 -","4","1","","Szafrański, Marek","Comment on “1,4-Diazabicyclo[2.2.2]octane-based disalts showing non-centrosymmetric structures and phase transition behaviors” by X.-B. Han, P. Hu, C. Shi and W. Zhang, CrystEngComm, 2016, 18, 1563","CrystEngComm","2017","19","1","179","","10.1039/C6CE01469K","","","0.71073","MoKα","","0.0265","0.0249","","","0.0658","0.0668","","","","","","1.071","","","","has coordinates","191580","2020-10-21","18:00:00",""
"7227248","7.99901","0.00016","11.6844","0.0003","13.2191","0.0002","89.9922","0.0016","90.0224","0.0016","90.0075","0.0017","1235.5","0.04","150","0.1","150","0.1","","","","","","","","5","P 1","P 1","1","dabco diperchlorate monohydrate","","","- C6 H16 Cl2 N2 O9 -","- C6 H16 Cl2 N2 O9 -","- C24 H64 Cl8 N8 O36 -","4","4","","Szafrański, Marek","Comment on “1,4-Diazabicyclo[2.2.2]octane-based disalts showing non-centrosymmetric structures and phase transition behaviors” by X.-B. Han, P. Hu, C. Shi and W. Zhang, CrystEngComm, 2016, 18, 1563","CrystEngComm","2017","19","1","179","","10.1039/C6CE01469K","","","0.71073","MoKα","","0.0247","0.0239","","","0.0585","0.0591","","","","","","1.038","","","","has coordinates","191580","2020-10-21","18:00:00",""
"7227249","7.8457","0.0002","11.6885","0.0002","13.0792","0.0003","90.0075","0.0018","89.998","0.002","90.0165","0.0019","1199.42","0.05","220","0.1","220","0.1","","","","","","","","6","P 1","P 1","1","dabco ditetrafluoroborate monohydrate","","","- C6 H16 B2 F8 N2 O -","- C6 H16 B2 F8 N2 O -","- C24 H64 B8 F32 N8 O4 -","4","4","","Szafrański, Marek","Comment on “1,4-Diazabicyclo[2.2.2]octane-based disalts showing non-centrosymmetric structures and phase transition behaviors” by X.-B. Han, P. Hu, C. Shi and W. Zhang, CrystEngComm, 2016, 18, 1563","CrystEngComm","2017","19","1","179","","10.1039/C6CE01469K","","","0.71073","MoKα","","0.0415","0.0368","","","0.0901","0.094","","","","","","1.029","","","","has coordinates","191580","2020-10-21","18:00:00",""
"7227250","8.02169","0.00015","11.7137","0.0002","13.2529","0.0002","89.9946","0.0015","90.0068","0.0015","89.9829","0.0015","1245.29","0.04","200","0.1","200","0.1","","","","","","","","5","P 1","P 1","1","dabco diperchlorate monohydrate","","","- C6 H16 Cl2 N2 O9 -","- C6 H16 Cl2 N2 O9 -","- C24 H64 Cl8 N8 O36 -","4","4","","Szafrański, Marek","Comment on “1,4-Diazabicyclo[2.2.2]octane-based disalts showing non-centrosymmetric structures and phase transition behaviors” by X.-B. Han, P. Hu, C. Shi and W. Zhang, CrystEngComm, 2016, 18, 1563","CrystEngComm","2017","19","1","179","","10.1039/C6CE01469K","","","0.71073","MoKα","","0.0212","0.0205","","","0.0547","0.0552","","","","","","1.066","","","","has coordinates","191580","2020-10-21","18:00:00",""
"7227251","9.324","0.002","9.324","0.002","7.1369","0.0018","90","","90","","90","","620.5","0.2","223","","223","","","","","","","","","6","I -4","I -4","82","","","","- C8 H20 B0.504 F4.992 N P0.496 -","- C8 H20 B0.504 F4.992 N P0.496 -","- C16 H40 B1.008 F9.984 N2 P0.992 -","2","0.25","","Matsumoto, Kazuhiko; Nonaka, Ryojun; Wang, Yushen; Veryasov, Gleb; Hagiwara, Rika","Formation of a solid solution between [N(C2H5)4][BF4] and [N(C2H5)4][PF6] in crystal and plastic crystal phases.","Physical chemistry chemical physics : PCCP","2017","19","3","2053","2059","10.1039/c6cp07992j","","","0.71073","MoKα","","0.0656","0.0649","","","0.188","0.1892","","","","","","1.109","","","","has coordinates,has disorder","191763","2020-10-21","18:00:00",""
"7227252","5.8457","0.0006","13.5935","0.0014","9.8497","0.0011","90","","98.476","0.009","90","","774.14","0.14","180","2","180","","","","","","","","synthesis as described","4","P 1 21/c 1","-P 2ybc","14","","","","- C18 H18 N4 O2 -","- C18 H18 N4 O2 -","- C36 H36 N8 O4 -","2","0.5","","Leblanc, Nicolas; Genovese, Damiano; De Cola, Luisa; Powell, Annie K.","A platform with connections in many directions - further remarkable facets to the multifaceted methylbiquinoxen dication.","Physical chemistry chemical physics : PCCP","2017","19","10","6981","6988","10.1039/c6cp07538j","","","0.71073","MoKα","","0.0558","0.0371","","","0.0964","0.1034","","","","","","0.962","","","","has coordinates","195185","2020-10-21","18:00:00",""
"7227253","10.2451","0.0008","11.074","0.0007","15.3632","0.0011","90","","90","","90","","1743","0.2","180","2","180","","","","","","","","synthesis as described","4","P c a b","-P 2bc 2ac","61","","","","- C20 H22 N4 O2 -","- C20 H22 N4 O2 -","- C80 H88 N16 O8 -","4","0.5","","Leblanc, Nicolas; Genovese, Damiano; De Cola, Luisa; Powell, Annie K.","A platform with connections in many directions - further remarkable facets to the multifaceted methylbiquinoxen dication.","Physical chemistry chemical physics : PCCP","2017","19","10","6981","6988","10.1039/c6cp07538j","","","0.71073","MoKα","","0.0683","0.0476","","","0.1214","0.1326","","","","","","1.015","","","","has coordinates","195185","2020-10-21","18:00:00",""
"7227254","8.6751","0.0008","11.2503","0.001","13.3424","0.001","90","","94.681","0.007","90","","1297.84","0.19","180","2","180","","","","","","","","synthesis as described","4","P 1 21/a 1","-P 2yab","14","","","","- C26 H34 N4 O4 -","- C26 H34 N4 O4 -","- C52 H68 N8 O8 -","2","0.5","","Leblanc, Nicolas; Genovese, Damiano; De Cola, Luisa; Powell, Annie K.","A platform with connections in many directions - further remarkable facets to the multifaceted methylbiquinoxen dication.","Physical chemistry chemical physics : PCCP","2017","19","10","6981","6988","10.1039/c6cp07538j","","","0.71073","MoKα","","0.0819","0.0498","","","0.1279","0.146","","","","","","0.878","","","","has coordinates","195185","2020-10-21","18:00:00",""
"7227255","8.829","0.0011","11.313","0.0016","10.403","0.0013","90","","107.834","0.009","90","","989.1","0.2","180","2","180","2","","","","","","","synthesis as described","4","P 1 21/a 1","-P 2yab","14","","","","- C22 H26 N4 O2 -","- C22 H26 N4 O2 -","- C44 H52 N8 O4 -","2","0.5","","Leblanc, Nicolas; Genovese, Damiano; De Cola, Luisa; Powell, Annie K.","A platform with connections in many directions - further remarkable facets to the multifaceted methylbiquinoxen dication.","Physical chemistry chemical physics : PCCP","2017","19","10","6981","6988","10.1039/c6cp07538j","","","0.71073","MoKα","","0.0622","0.0379","","","0.0968","0.1075","","","","","","0.927","","","","has coordinates","195185","2020-10-21","18:00:00",""
"7227257","3.6632","0.0003","3.6632","0.0003","11.998","0.002","90","","90","","90","","161","0.03","293","","293","","","","","","","","","4","I 4/m m m","-I 4 2","139","","","","- Al Ca Gd O4 -","- Al Ca Gd O4 -","- Al2 Ca2 Gd2 O8 -","2","0.0625","","Hu, Qiangqiang; Jia, Zhitai; Tang, Cheng; Lin, Na; Zhang, Jian; Jia, Ning; Wang, Shanpeng; Zhao, Xian; Tao, Xutang","The origin of coloration of CaGdAlO4 crystals and its effect on their physical properties","CrystEngComm","2017","19","3","537","","10.1039/C6CE02411D","","x-ray","0.71073","MoKα","","0.0287","0.0287","","","0.0745","0.0745","","","","1","1","1","","","","has coordinates","191561","2020-10-21","18:00:00",""
"7227258","9.307","0.0003","17.6267","0.0004","10.8072","0.0003","90","","113.592","0.004","90","","1624.75","0.09","120","0.1","120","0.1","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C12 H10 Cl4 N2 O4 Re -","- C12 H10 Cl4 N2 O4 Re -","- C48 H40 Cl16 N8 O16 Re4 -","4","0.5","","Pedersen, Anders H.; Julve, Miguel; Brechin, Euan K.; Martínez-Lillo, José","Self-assembly of the tetrachlorido(oxalato)rhenate(iv) anion with protonated organic cations: X-ray structures and magnetic properties","CrystEngComm","2017","19","3","503","","10.1039/C6CE02025A","","x-ray","1.54184","CuKα","","0.0326","0.0322","","","0.0849","0.0857","","","","","","1.032","","","","has coordinates","191560","2020-10-21","18:00:00",""
"7227259","9.8643","0.0002","9.9913","0.0002","12.1357","0.0002","93.364","0.0007","92.3297","0.0007","119.535","0.0006","1035.51","0.03","120","2","120","2","","","","","","","","6","P -1","-P 1","2","","","","- C14 H14 Cl4 N8 O4 Re -","- C14 H14 Cl4 N8 O4 Re -","- C28 H28 Cl8 N16 O8 Re2 -","2","1","","Pedersen, Anders H.; Julve, Miguel; Brechin, Euan K.; Martínez-Lillo, José","Self-assembly of the tetrachlorido(oxalato)rhenate(iv) anion with protonated organic cations: X-ray structures and magnetic properties","CrystEngComm","2017","19","3","503","","10.1039/C6CE02025A","","","0.71073","MoKα","","0.0168","0.0167","","","0.0457","0.0458","","","","","","1.006","","","","has coordinates","191560","2020-10-21","18:00:00",""
"7227260","6.0614","0.0005","4.9572","0.0004","12.1601","0.001","90","","102.523","0.008","90","","356.69","0.05","295","","295","","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C7 H7 Br O -","- C7 H7 Br O -","- C14 H14 Br2 O2 -","2","1","","Romasanta, A. K. S.; Braga, D.; Duarte, M. T.; Grepioni, F.","How similar is similar? Exploring the binary and ternary solid solution landscapes of p-methyl/chloro/bromo-benzyl alcohols","CrystEngComm","2017","19","4","653","","10.1039/C6CE02282K","","","0.71073","MoKα","","0.0623","0.048","","","0.1061","0.1165","","","","","","1.005","","","","has coordinates","191558","2020-10-21","18:00:00",""
"7227261","6.044","0.002","4.9739","0.0012","12.231","0.005","90","","103.69","0.04","90","","357.2","0.2","295","","295","","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C7.5 H8.5 Br0.5 O -","- C7.5 H8.5 Br0.5 O -","- C15 H17 Br O2 -","2","1","","Romasanta, A. K. S.; Braga, D.; Duarte, M. T.; Grepioni, F.","How similar is similar? Exploring the binary and ternary solid solution landscapes of p-methyl/chloro/bromo-benzyl alcohols","CrystEngComm","2017","19","4","653","","10.1039/C6CE02282K","","","0.71073","MoKα","","0.1333","0.0943","","","0.2196","0.2507","","","","","","1.141","","","","has coordinates,has disorder","191558","2020-10-21","18:00:00",""
"7227262","5.9892","0.0006","4.9395","0.0005","12.0858","0.0012","90","","102.59","0.01","90","","348.94","0.06","295","","295","","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C7 H7 Br0.5 Cl0.5 O -","- C7 H7 Br0.5 Cl0.5 O -","- C14 H14 Br Cl O2 -","2","1","","Romasanta, A. K. S.; Braga, D.; Duarte, M. T.; Grepioni, F.","How similar is similar? Exploring the binary and ternary solid solution landscapes of p-methyl/chloro/bromo-benzyl alcohols","CrystEngComm","2017","19","4","653","","10.1039/C6CE02282K","","","0.71073","MoKα","","0.0698","0.0512","","","0.1062","0.1232","","","","","","1","","","","has coordinates,has disorder","191558","2020-10-21","18:00:00",""
"7227263","13.7763","0.0012","16.0926","0.0012","17.8036","0.001","82.048","0.005","72.999","0.006","68.508","0.008","3509.9","0.5","175","","175","","","","","","","","","4","P -1","-P 1","2","","","","- C128 H104 O28 Si8 -","- C128 H104 O28 Si8 -","- C128 H104 O28 Si8 -","1","0.5","","Voisin, Doria; Flot, David; Van der Lee, Arie; Dautel, Olivier J.; Moreau, Joel J. E.","Hydrogen bond-directed assembly of silsesquioxanes cubes: synthesis of carboxylic acid POSS derivatives and the solid state structure of octa[2-(p-carboxyphenyl)ethyl] silsesquioxane","CrystEngComm","2017","19","3","492","","10.1039/C6CE02369J","","","0.71073","MoKα","","0.1262","0.0989","","0.1518","0.1254","0.1254","","","","","","1.1368","","","","has coordinates","191563","2020-10-21","18:00:00",""
"7227264","10.894","0.003","12.114","0.003","15.8","0.003","85.936","0.01","76.182","0.009","78.08","0.02","1980.6","0.8","100","2","100","2","","","","","","","","4","P -1","-P 1","2","","","","- C80 H88 O30 Si8 -","- C77.4 H82.8 O29.35 Si8 -","- C77.4 H82.8 O29.35 Si8 -","1","0.5","","Voisin, Doria; Flot, David; Van der Lee, Arie; Dautel, Olivier J.; Moreau, Joel J. E.","Hydrogen bond-directed assembly of silsesquioxanes cubes: synthesis of carboxylic acid POSS derivatives and the solid state structure of octa[2-(p-carboxyphenyl)ethyl] silsesquioxane","CrystEngComm","2017","19","3","492","","10.1039/C6CE02369J","","","0.8729","synchrotron","","0.0804","0.0586","","","0.1621","0.1825","","","","","","1.026","","","","has coordinates","191563","2020-10-21","18:00:00",""
"7227268","4.5613","0.0005","10.2296","0.0011","13.7303","0.0015","80.28","0.003","83.693","0.003","87.814","0.003","627.52","0.12","100","2","100","2","","","","","","","","6","P -1","-P 1","2","","","","- C22 H18 F4 I2 N6 O2 -","- C22 H18 F4 I2 N6 O2 -","- C22 H18 F4 I2 N6 O2 -","1","0.5","","Som, Bozumeh; Salpage, Sahan R.; Son, Juno; Gu, Bing; Karakalos, Stavros G.; Smith, Mark D.; Shimizu, Linda S.","Pillars of assembled pyridyl bis-urea macrocycles: a robust synthon to organize diiodotetrafluorobenzenes","CrystEngComm","2017","19","3","484","","10.1039/C6CE02392D","","x-ray","0.71073","MoKα","","0.0313","0.0242","","","0.0416","0.0428","","","","","","1.063","","","","has coordinates","191565","2020-10-21","18:00:00",""
"7227269","4.6564","0.0003","12.7812","0.0009","14.2764","0.0009","104.509","0.002","96.086","0.002","97.186","0.002","807.71","0.09","100","2","100","2","","","","","","","","6","P -1","-P 1","2","","","","- C28 H18 F8 I4 N6 O2 -","- C28 H18 F8 I4 N6 O2 -","- C28 H18 F8 I4 N6 O2 -","1","0.5","","Som, Bozumeh; Salpage, Sahan R.; Son, Juno; Gu, Bing; Karakalos, Stavros G.; Smith, Mark D.; Shimizu, Linda S.","Pillars of assembled pyridyl bis-urea macrocycles: a robust synthon to organize diiodotetrafluorobenzenes","CrystEngComm","2017","19","3","484","","10.1039/C6CE02392D","","x-ray","0.71073","MoKα","","0.035","0.0247","","","0.0476","0.0506","","","","","","1.062","","","","has coordinates","191565","2020-10-21","18:00:00",""
"7227270","4.5773","0.0003","36.882","0.003","21.7673","0.0014","90","","91.029","0.002","90","","3674.2","0.5","100","2","100","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C30 H24 F8 I4 N6 O3 S -","- C30 H24 F8 I4 N6 O3 S -","- C120 H96 F32 I16 N24 O12 S4 -","4","1","","Som, Bozumeh; Salpage, Sahan R.; Son, Juno; Gu, Bing; Karakalos, Stavros G.; Smith, Mark D.; Shimizu, Linda S.","Pillars of assembled pyridyl bis-urea macrocycles: a robust synthon to organize diiodotetrafluorobenzenes","CrystEngComm","2017","19","3","484","","10.1039/C6CE02392D","","x-ray","0.71073","MoKα","","0.0755","0.0454","","","0.0643","0.0698","","","","","","1.103","","","","has coordinates","191565","2020-10-21","18:00:00",""
"7227271","12.1733","0.0007","12.9667","0.0007","19.521","0.0011","93.601","0.002","96.085","0.002","111.847","0.002","2826.4","0.3","296","2","296","2","","","","","","","","9","P -1","-P 1","2","","","","- C49 H44 Cl5 F6 Ir N4 O7 P2 S2 -","- C49 H44 Cl5 F6 Ir N4 O7 P2 S2 -","- C98 H88 Cl10 F12 Ir2 N8 O14 P4 S4 -","2","1","","Liu, Huan; Wang, Dong-Liang; Chen, Xia; Lu, Yong; Zhao, Xiao-Li; Liu, Ye","Efficient and recyclable Ir(i)-catalysts with the involvement of π-acceptor phosphines for N-alkylation of aryl amines with alcohols","Green Chem.","2017","19","4","1109","","10.1039/C6GC03096C","","","0.71073","MoKα","","0.0814","0.0582","","","0.1562","0.1798","","","","","","1.018","","","","has coordinates","193860","2020-10-21","18:00:00",""
"7227272","9.0997","0.0003","15.2322","0.0005","13.1977","0.0005","90","","93.109","0.001","90","","1826.62","0.11","296","2","296","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C42 H34 Cl2 Ir N4 P2 -","- C42 H34 Cl2 Ir N4 P2 -","- C84 H68 Cl4 Ir2 N8 P4 -","2","0.5","","Liu, Huan; Wang, Dong-Liang; Chen, Xia; Lu, Yong; Zhao, Xiao-Li; Liu, Ye","Efficient and recyclable Ir(i)-catalysts with the involvement of π-acceptor phosphines for N-alkylation of aryl amines with alcohols","Green Chem.","2017","19","4","1109","","10.1039/C6GC03096C","","","0.71073","MoKα","","0.0271","0.0222","","","0.0495","0.0522","","","","","","1.089","","","","has coordinates","193860","2020-10-21","18:00:00",""
"7227284","8.8117","0.0009","7.4263","0.0008","14.7072","0.0016","90","","90","","90","","962.41","0.18","213","1","213","1","","","","","","","","3","P c a 21","P 2c -2ac","29","","","","- C8 H8 I2 -","- C8 H8 I2 -","- C32 H32 I8 -","4","1","","Albright, Emily; Cann, Jonathan; Decken, Andreas; Eisler, Sara","Halogen⋯halogen interactions in diiodo-xylenes","CrystEngComm","2017","19","7","1024","","10.1039/C6CE02339H","","x-ray","0.71073","MoKα","","0.0312","0.031","","","0.0846","0.0848","","","","","","1.091","","","","has coordinates","193765","2020-10-21","18:00:00",""
"7227285","9.572","0.005","8.414","0.005","11.973","0.006","90","","105.341","0.008","90","","929.9","0.9","198","2","198","2","","","","","","","","3","C 1 2/c 1","-C 2yc","15","","","","- C8 H8 I2 -","- C8 H8 I2 -","- C32 H32 I8 -","4","0.5","","Albright, Emily; Cann, Jonathan; Decken, Andreas; Eisler, Sara","Halogen⋯halogen interactions in diiodo-xylenes","CrystEngComm","2017","19","7","1024","","10.1039/C6CE02339H","","x-ray","0.71073","MoKα","","0.036","0.0341","","","0.0954","0.0992","","","","","","1.241","","","","has coordinates","193765","2020-10-21","18:00:00",""
"7227286","7.2216","0.0007","22.988","0.002","17.6581","0.0019","90","","101.235","0.001","90","","2875.2","0.5","213","2","213","2","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","","","- C8 H8 I2 -","- C8 H8 I2 -","- C96 H96 I24 -","12","3","","Albright, Emily; Cann, Jonathan; Decken, Andreas; Eisler, Sara","Halogen⋯halogen interactions in diiodo-xylenes","CrystEngComm","2017","19","7","1024","","10.1039/C6CE02339H","","x-ray","0.71073","MoKα","","0.0342","0.0279","","","0.0663","0.0707","","","","","","1.083","","","","has coordinates","193765","2020-10-21","18:00:00",""
"7227287","8.107","0.003","16.238","0.005","14.621","0.005","90","","93.57","0.004","90","","1921","1.1","173","2","173","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C8 H8 I2 -","- C8 H8 I2 -","- C64 H64 I16 -","8","2","","Albright, Emily; Cann, Jonathan; Decken, Andreas; Eisler, Sara","Halogen⋯halogen interactions in diiodo-xylenes","CrystEngComm","2017","19","7","1024","","10.1039/C6CE02339H","","x-ray","0.71073","MoKα","","0.031","0.0267","","","0.0687","0.071","","","","","","1.041","","","","has coordinates","193765","2020-10-21","18:00:00",""
"7227288","10.3425","0.0005","13.0194","0.0007","13.2226","0.0005","90","","90","","90","","1780.46","0.15","296","2","296","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C24 H19 N -","- C24 H19 N -","- C96 H76 N4 -","4","1","","Mallia, Ajith R.; Ramakrishnan, Remya; Niyas, M. A.; Hariharan, Mahesh","Crystalline triphenylamine substituted arenes: solid state packing and luminescence properties","CrystEngComm","2017","19","5","817","","10.1039/C6CE02321E","","","0.71073","MoKα","","0.0405","0.0337","","","0.0841","0.0889","","","","","","1.05","","","","has coordinates","191569","2020-10-21","18:00:00",""
"7227289","14.0037","0.0003","18.865","0.0004","9.2913","0.0002","90","","109.592","0.001","90","","2312.46","0.09","296","2","296","2","","","","","","","","3","C 1 2/c 1","-C 2yc","15","","","","- C32 H23 N -","- C32 H23 N -","- C128 H92 N4 -","4","0.5","","Mallia, Ajith R.; Ramakrishnan, Remya; Niyas, M. A.; Hariharan, Mahesh","Crystalline triphenylamine substituted arenes: solid state packing and luminescence properties","CrystEngComm","2017","19","5","817","","10.1039/C6CE02321E","","","0.71073","MoKα","","0.0525","0.0411","","","0.1044","0.1176","","","","","","1.05","","","","has coordinates","191569","2020-10-21","18:00:00",""
"7227290","7.66","0.0005","14.3344","0.001","21.738","0.0015","87.427","0.003","83.718","0.003","75.715","0.003","2298.8","0.3","296","2","296","2","","","","","","","","3","P -1","-P 1","2","","","","- C32 H23 N -","- C32 H23 N -","- C128 H92 N4 -","4","2","","Mallia, Ajith R.; Ramakrishnan, Remya; Niyas, M. A.; Hariharan, Mahesh","Crystalline triphenylamine substituted arenes: solid state packing and luminescence properties","CrystEngComm","2017","19","5","817","","10.1039/C6CE02321E","","","0.71073","MoKα","","0.0697","0.0429","","","0.1256","0.1592","","","","","","1.099","","","","has coordinates","191569","2020-10-21","18:00:00",""
"7227291","18.1949","0.0008","10.7188","0.0003","12.2321","0.0005","90","","95.895","0.002","90","","2372.98","0.16","296","2","296","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C34 H23 N -","- C34 H23 N -","- C136 H92 N4 -","4","1","","Mallia, Ajith R.; Ramakrishnan, Remya; Niyas, M. A.; Hariharan, Mahesh","Crystalline triphenylamine substituted arenes: solid state packing and luminescence properties","CrystEngComm","2017","19","5","817","","10.1039/C6CE02321E","","","0.71073","MoKα","","0.0595","0.0392","","","0.1055","0.141","","","","","","1.121","","","","has coordinates","191569","2020-10-21","18:00:00",""
"7227292","20.863","0.003","10.6106","0.0016","11.6041","0.0013","90","","93.835","0.005","90","","2563","0.6","296","2","296","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C38 H25 N -","- C38 H25 N -","- C152 H100 N4 -","4","1","","Mallia, Ajith R.; Ramakrishnan, Remya; Niyas, M. A.; Hariharan, Mahesh","Crystalline triphenylamine substituted arenes: solid state packing and luminescence properties","CrystEngComm","2017","19","5","817","","10.1039/C6CE02321E","","","0.71073","MoKα","","0.1754","0.0566","","","0.1198","0.1877","","","","","","0.993","","","","has coordinates","191569","2020-10-21","18:00:00",""
"7227293","15.4053","0.0003","7.6463","0.0002","17.3621","0.0004","90","","100.301","0.001","90","","2012.18","0.08","296","2","296","2","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","","","- C28 H21 N -","- C28 H21 N -","- C112 H84 N4 -","4","1","","Mallia, Ajith R.; Ramakrishnan, Remya; Niyas, M. A.; Hariharan, Mahesh","Crystalline triphenylamine substituted arenes: solid state packing and luminescence properties","CrystEngComm","2017","19","5","817","","10.1039/C6CE02321E","","","0.71073","MoKα","","0.0713","0.0472","","","0.1014","0.1266","","","","","","1.103","","","","has coordinates","191569","2020-10-21","18:00:00",""
"7227294","7.157","0.0014","12.806","0.003","7.856","0.0016","90","","90","","90","","720","0.3","153","2","153","2","","","","","","","","4","C c c m","-C 2 2c","66","","","","- C6 H4 Mn N4 -","- C6 H4 Mn N4 -","- C24 H16 Mn4 N16 -","4","0.25","","Xia, Bin; Wang, Kai; Wang, Qing-Lun; Ma, Yue; Tong, Yu-Zhang; Liao, Dai-Zheng","Crystal structure and magnetic properties of two manganese(ii) homometallic coordination polymers","CrystEngComm","2017","19","5","811","","10.1039/C6CE02178F","","","0.71073","MoKα","","0.0316","0.0249","","","0.0668","0.0699","","","","","","1.11","","","","has coordinates","191566","2020-10-21","18:00:00",""
"7227295","8.363","0.0017","12.827","0.003","12.987","0.003","78.01","0.03","77.5","0.03","71.85","0.03","1277.6","0.6","153","2","153","2","","","","","","","","5","P -1","-P 1","2","","","","- C25.14 H20.28 Mn2 N8 O -","- C25.14 H19.85 Mn2 N8 O -","- C50.28 H39.7 Mn4 N16 O2 -","2","1","","Xia, Bin; Wang, Kai; Wang, Qing-Lun; Ma, Yue; Tong, Yu-Zhang; Liao, Dai-Zheng","Crystal structure and magnetic properties of two manganese(ii) homometallic coordination polymers","CrystEngComm","2017","19","5","811","","10.1039/C6CE02178F","","","0.71073","MoKα","","0.0669","0.0536","","","0.1435","0.1549","","","","","","1.067","","","","has coordinates","191566","2020-10-21","18:00:00",""
"7227296","17.112","0.0015","16.287","0.0013","9.1823","0.0008","90","","107.089","0.009","90","","2446.1","0.4","293","2","293","2","","","","","","","","5","C 1 c 1","C -2yc","9","","","","- C28 H22 Cd N2 O9 -","- C28 H20 Cd N2 O9 -","- C112 H80 Cd4 N8 O36 -","4","1","","Li, Wen-Bo; Yao, Qing-Xia; Sun, Li; Yang, Xiao-Dong; Guo, Rui-Yun; Zhang, Jie","A viologen-based coordination polymer exhibiting high sensitivity towards various light sources","CrystEngComm","2017","19","4","722","","10.1039/C6CE02496C","","","0.71073","MoKα","","0.0451","0.0344","","","0.0809","0.0863","","","","","","1.028","","","","has coordinates","191556","2020-10-21","18:00:00",""
"7227297","17.1144","0.0014","16.2849","0.0012","9.1786","0.0007","90","","107.107","0.008","90","","2445","0.3","293","2","293","2","","","","","","","","5","C 1 c 1","C -2yc","9","","","","- C28 H22 Cd N2 O9 -","- C28 H20 Cd N2 O9 -","- C112 H80 Cd4 N8 O36 -","4","1","","Li, Wen-Bo; Yao, Qing-Xia; Sun, Li; Yang, Xiao-Dong; Guo, Rui-Yun; Zhang, Jie","A viologen-based coordination polymer exhibiting high sensitivity towards various light sources","CrystEngComm","2017","19","4","722","","10.1039/C6CE02496C","","","0.71073","MoKα","","0.0491","0.0369","","","0.086","0.0935","","","","","","1.019","","","","has coordinates","191556","2020-10-21","18:00:00",""
"7227298","19.1","0.007","22.96","0.008","24.338","0.009","90","","90","","90","","10673","7","296","2","296.15","","","","","","","","","7","P b c a","-P 2ac 2ab","61","","","","- C12 H48 Er Mn Mo9 N5 O49 -","- C12 H10 Er Mn Mo9 N5 O49 -","- C96 H80 Er8 Mn8 Mo72 N40 O392 -","8","1","","Gong, Peijun; Li, Yanyan; Zhai, Cuiping; Luo, Jie; Tian, Xuemeng; Chen, Lijuan; Zhao, Junwei","Syntheses, structural characterization and photophysical properties of two series of rare-earth-isonicotinic-acid containing Waugh-type manganomolybdates","CrystEngComm","2017","19","5","834","","10.1039/C6CE02428A","","","0.71073","MoKα","","0.0645","0.0395","","","0.0955","0.1032","","","","","","1.063","","","","has coordinates","191571","2020-10-21","18:00:00",""
"7227299","19.0464","0.0006","22.8077","0.0007","24.2799","0.0007","90","","90","","90","","10547.3","0.6","296","2","296.15","","","","","","","","","7","P b c a","-P 2ac 2ab","61","","","","- C12 H48 Eu Mn Mo9 N5 O49 -","- C12 H10 Eu Mn Mo9 N5 O49 -","- C96 H80 Eu8 Mn8 Mo72 N40 O392 -","8","1","","Gong, Peijun; Li, Yanyan; Zhai, Cuiping; Luo, Jie; Tian, Xuemeng; Chen, Lijuan; Zhao, Junwei","Syntheses, structural characterization and photophysical properties of two series of rare-earth-isonicotinic-acid containing Waugh-type manganomolybdates","CrystEngComm","2017","19","5","834","","10.1039/C6CE02428A","","","0.71073","MoKα","","0.0464","0.0325","","","0.0863","0.0913","","","","","","1.082","","","","has coordinates","191571","2020-10-21","18:00:00",""
"7227300","10.4141","0.0004","12.6941","0.0005","19.1513","0.0009","72.893","0.001","82.037","0.001","89.305","0.001","2395.32","0.17","296","2","296.15","","","","","","","","","7","P -1","-P 1","2","","","","- C24 H82 Mn2 Mo18 N12 Nd2 O88 -","- C24 H18 Mn2 Mo18 N12 Nd2 O88 -","- C24 H18 Mn2 Mo18 N12 Nd2 O88 -","1","0.5","","Gong, Peijun; Li, Yanyan; Zhai, Cuiping; Luo, Jie; Tian, Xuemeng; Chen, Lijuan; Zhao, Junwei","Syntheses, structural characterization and photophysical properties of two series of rare-earth-isonicotinic-acid containing Waugh-type manganomolybdates","CrystEngComm","2017","19","5","834","","10.1039/C6CE02428A","","","0.71073","MoKα","","0.0477","0.0364","","","0.0929","0.0984","","","","","","1.058","","","","has coordinates","191571","2020-10-21","18:00:00",""
"7227301","18.9813","0.0011","22.8264","0.0014","24.1927","0.0014","90","","90","","90","","10482.1","1.1","296","2","296.15","","","","","","","","","7","P b c a","-P 2ac 2ab","61","","","","- C12 H48 Mn Mo9 N5 O49 Y -","- C12 H10 Mn Mo9 N5 O49 Y -","- C96 H80 Mn8 Mo72 N40 O392 Y8 -","8","1","","Gong, Peijun; Li, Yanyan; Zhai, Cuiping; Luo, Jie; Tian, Xuemeng; Chen, Lijuan; Zhao, Junwei","Syntheses, structural characterization and photophysical properties of two series of rare-earth-isonicotinic-acid containing Waugh-type manganomolybdates","CrystEngComm","2017","19","5","834","","10.1039/C6CE02428A","","","0.71073","MoKα","","0.0568","0.0364","","","0.0903","0.0964","","","","","","1.068","","","","has coordinates","191571","2020-10-21","18:00:00",""
"7227302","10.3698","0.0006","12.6471","0.0008","19.0794","0.0011","73.32","0.001","81.798","0.001","88.775","0.001","2371.9","0.2","296","2","296.15","","","","","","","","","7","P -1","-P 1","2","","","","- C24 H82 La2 Mn2 Mo18 N12 O88 -","- C24 H18 La2 Mn2 Mo18 N12 O88 -","- C24 H18 La2 Mn2 Mo18 N12 O88 -","1","0.5","","Gong, Peijun; Li, Yanyan; Zhai, Cuiping; Luo, Jie; Tian, Xuemeng; Chen, Lijuan; Zhao, Junwei","Syntheses, structural characterization and photophysical properties of two series of rare-earth-isonicotinic-acid containing Waugh-type manganomolybdates","CrystEngComm","2017","19","5","834","","10.1039/C6CE02428A","","","0.71073","MoKα","","0.0643","0.0476","","","0.1254","0.134","","","","","","1.071","","","","has coordinates","191571","2020-10-21","18:00:00",""
"7227303","19.0677","0.0016","22.7335","0.0019","24.228","0.002","90","","90","","90","","10502.2","1.5","296","2","296.15","","","","","","","","","7","P b c a","-P 2ac 2ab","61","","","","- C12 H48 Mn Mo9 N5 O49 Tb -","- C12 H10 Mn Mo9 N5 O49 Tb -","- C96 H80 Mn8 Mo72 N40 O392 Tb8 -","8","1","","Gong, Peijun; Li, Yanyan; Zhai, Cuiping; Luo, Jie; Tian, Xuemeng; Chen, Lijuan; Zhao, Junwei","Syntheses, structural characterization and photophysical properties of two series of rare-earth-isonicotinic-acid containing Waugh-type manganomolybdates","CrystEngComm","2017","19","5","834","","10.1039/C6CE02428A","","","0.71073","MoKα","","0.0397","0.0303","","","0.0819","0.0863","","","","","","1.098","","","","has coordinates","191571","2020-10-21","18:00:00",""
"7227304","18.9956","0.0007","22.8143","0.0009","24.1926","0.001","90","","90","","90","","10484.4","0.7","296","2","296.15","","","","","","","","","7","P b c a","-P 2ac 2ab","61","","","","- C12 H48 Mn Mo9 N5 O49 Tm -","- C12 H10 Mn Mo9 N5 O49 Tm -","- C96 H80 Mn8 Mo72 N40 O392 Tm8 -","8","1","","Gong, Peijun; Li, Yanyan; Zhai, Cuiping; Luo, Jie; Tian, Xuemeng; Chen, Lijuan; Zhao, Junwei","Syntheses, structural characterization and photophysical properties of two series of rare-earth-isonicotinic-acid containing Waugh-type manganomolybdates","CrystEngComm","2017","19","5","834","","10.1039/C6CE02428A","","","0.71073","MoKα","","0.0397","0.0312","","","0.088","0.0914","","","","","","1.057","","","","has coordinates","191571","2020-10-21","18:00:00",""
"7227305","18.9918","0.0008","22.8191","0.001","24.1887","0.0011","90","","90","","90","","10482.8","0.8","296","2","296.15","","","","","","","","","7","P b c a","-P 2ac 2ab","61","","","","- C12 H48 Ho Mn Mo9 N5 O49 -","- C12 H10 Ho Mn Mo9 N5 O49 -","- C96 H80 Ho8 Mn8 Mo72 N40 O392 -","8","1","","Gong, Peijun; Li, Yanyan; Zhai, Cuiping; Luo, Jie; Tian, Xuemeng; Chen, Lijuan; Zhao, Junwei","Syntheses, structural characterization and photophysical properties of two series of rare-earth-isonicotinic-acid containing Waugh-type manganomolybdates","CrystEngComm","2017","19","5","834","","10.1039/C6CE02428A","","","0.71073","MoKα","","0.0681","0.0416","","","0.1069","0.1239","","","","","","1.088","","","","has coordinates","191571","2020-10-21","18:00:00",""
"7227306","10.431","0.0005","12.6785","0.0006","19.1442","0.0009","72.956","0.001","82.02","0.001","89.255","0.001","2396.1","0.2","296","2","296.15","","","","","","","","","7","P -1","-P 1","2","","","","- C24 H82 Mn2 Mo18 N12 O88 Pr2 -","- C24 H18 Mn2 Mo18 N12 O88 Pr2 -","- C24 H18 Mn2 Mo18 N12 O88 Pr2 -","1","0.5","","Gong, Peijun; Li, Yanyan; Zhai, Cuiping; Luo, Jie; Tian, Xuemeng; Chen, Lijuan; Zhao, Junwei","Syntheses, structural characterization and photophysical properties of two series of rare-earth-isonicotinic-acid containing Waugh-type manganomolybdates","CrystEngComm","2017","19","5","834","","10.1039/C6CE02428A","","","0.71073","MoKα","","0.0422","0.0329","","","0.083","0.0871","","","","","","1.049","","","","has coordinates","191571","2020-10-21","18:00:00",""
"7227307","19.0792","0.0009","22.8325","0.001","24.331","0.0011","90","","90","","90","","10599.2","0.8","296","2","296.15","","","","","","","","","7","P b c a","-P 2ac 2ab","61","","","","- C12 H48 Mn Mo9 N5 O49 Sm -","- C12 H10 Mn Mo9 N5 O49 Sm -","- C96 H80 Mn8 Mo72 N40 O392 Sm8 -","8","1","","Gong, Peijun; Li, Yanyan; Zhai, Cuiping; Luo, Jie; Tian, Xuemeng; Chen, Lijuan; Zhao, Junwei","Syntheses, structural characterization and photophysical properties of two series of rare-earth-isonicotinic-acid containing Waugh-type manganomolybdates","CrystEngComm","2017","19","5","834","","10.1039/C6CE02428A","","","0.71073","MoKα","","0.0352","0.0274","","","0.0722","0.0757","","","","","","1.091","","","","has coordinates","191571","2020-10-21","18:00:00",""
"7227308","18.9941","0.0011","22.8037","0.0014","24.1386","0.0014","90","","90","","90","","10455.3","1.1","296","2","296.15","","","","","","","","","7","P b c a","-P 2ac 2ab","61","","","","- C12 H48 Mn Mo9 N5 O49 Yb -","- C12 H10 Mn Mo9 N5 O49 Yb -","- C96 H80 Mn8 Mo72 N40 O392 Yb8 -","8","1","","Gong, Peijun; Li, Yanyan; Zhai, Cuiping; Luo, Jie; Tian, Xuemeng; Chen, Lijuan; Zhao, Junwei","Syntheses, structural characterization and photophysical properties of two series of rare-earth-isonicotinic-acid containing Waugh-type manganomolybdates","CrystEngComm","2017","19","5","834","","10.1039/C6CE02428A","","","0.71073","MoKα","","0.0426","0.0325","","","0.0898","0.0939","","","","","","1.077","","","","has coordinates","191571","2020-10-21","18:00:00",""
"7227309","19.0411","0.0009","22.8346","0.0011","24.2724","0.0011","90","","90","","90","","10553.5","0.9","296","2","296.15","","","","","","","","","7","P b c a","-P 2ac 2ab","61","","","","- C12 H48 Gd Mn Mo9 N5 O49 -","- C12 H10 Gd Mn Mo9 N5 O49 -","- C96 H80 Gd8 Mn8 Mo72 N40 O392 -","8","1","","Gong, Peijun; Li, Yanyan; Zhai, Cuiping; Luo, Jie; Tian, Xuemeng; Chen, Lijuan; Zhao, Junwei","Syntheses, structural characterization and photophysical properties of two series of rare-earth-isonicotinic-acid containing Waugh-type manganomolybdates","CrystEngComm","2017","19","5","834","","10.1039/C6CE02428A","","","0.71073","MoKα","","0.0554","0.0351","","","0.0819","0.0882","","","","","","1.04","","","","has coordinates","191571","2020-10-21","18:00:00",""
"7227310","19.0233","0.0006","22.7722","0.0007","24.1995","0.0007","90","","90","","90","","10483.3","0.6","296","2","296.15","","","","","","","","","7","P b c a","-P 2ac 2ab","61","","","","- C12 H48 Dy Mn Mo9 N5 O49 -","- C12 H10 Dy Mn Mo9 N5 O49 -","- C96 H80 Dy8 Mn8 Mo72 N40 O392 -","8","1","","Gong, Peijun; Li, Yanyan; Zhai, Cuiping; Luo, Jie; Tian, Xuemeng; Chen, Lijuan; Zhao, Junwei","Syntheses, structural characterization and photophysical properties of two series of rare-earth-isonicotinic-acid containing Waugh-type manganomolybdates","CrystEngComm","2017","19","5","834","","10.1039/C6CE02428A","","","0.71073","MoKα","","0.0509","0.0351","","","0.1039","0.1159","","","","","","1.083","","","","has coordinates","191571","2020-10-21","18:00:00",""
"7227311","6.7549","0.0002","11.0133","0.0003","32.2549","0.0011","90","","90","","90","","2399.56","0.13","200","2","200","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C26 H18 Co N4 O2 S2 -","- C26 H18 Co N4 O2 S2 -","- C104 H72 Co4 N16 O8 S8 -","4","1","","Rams, Michał; Tomkowicz, Zbigniew; Böhme, Michael; Plass, Winfried; Suckert, Stefan; Werner, Julia; Jess, Inke; Näther, Christian","Influence of metal coordination and co-ligands on the magnetic properties of 1D Co(NCS)2 coordination polymers.","Physical chemistry chemical physics : PCCP","2017","19","4","3232","3243","10.1039/c6cp08193b","","","0.71073","MoKα","","0.0292","0.0265","","","0.0624","0.0632","","","","","","1.055","","","","has coordinates","191761","2020-10-21","18:00:00",""
"7227312","9.105","0.0005","10.7073","0.0006","11.0049","0.0006","115.112","0.004","93.167","0.005","110.952","0.004","879.62","0.1","200","2","200","2","","","","","","","","5","P -1","-P 1","2","","","","- C16 H14 Co N4 S2 -","- C16 H14 Co N4 S2 -","- C32 H28 Co2 N8 S4 -","2","1","","Rams, Michał; Tomkowicz, Zbigniew; Böhme, Michael; Plass, Winfried; Suckert, Stefan; Werner, Julia; Jess, Inke; Näther, Christian","Influence of metal coordination and co-ligands on the magnetic properties of 1D Co(NCS)2 coordination polymers.","Physical chemistry chemical physics : PCCP","2017","19","4","3232","3243","10.1039/c6cp08193b","","","0.71073","MoKα","","0.0695","0.04","","","0.0808","0.09","","","","","","1.044","","","","has coordinates,has disorder","191761","2020-10-21","18:00:00",""
"7227313","12.3182","0.0017","22.004","0.002","13.2118","0.0017","90","","109.093","0.014","90","","3384.1","0.8","298","2","298","2","","","","","","","","7","P 1 21 1","P 2yb","4","","","","- C54 H45 Cr N16 O8 Ru2 S -","- C54 H45 Cr N16 O8 Ru2 S -","- C108 H90 Cr2 N32 O16 Ru4 S2 -","2","1","","Cadranel, Alejandro; Tate, Jaired E.; Oviedo, Paola S.; Yamazaki, Shiori; Hodak, José H; Baraldo, Luis M.; Kleiman, Valeria D.","Distant ultrafast energy transfer in a trimetallic {Ru-Ru-Cr} complex facilitated by hole delocalization.","Physical chemistry chemical physics : PCCP","2017","19","4","2882","2893","10.1039/c6cp06562g","","","0.71069","MoKα","","0.1142","0.0874","","","0.2135","0.2582","","","","","","1.059","","","","has coordinates,has disorder","191762","2020-10-21","18:00:00",""
"7227314","13.779","0.003","18.119","0.004","22.414","0.004","90","","92.599","0.015","90","","5590","2","298","2","298","2","","","","","","","","8","P 1 21/c 1","-P 2ybc","14","","","","- C47 H43 Cl F12 N10 O P2 Ru2 -","- C47 H43 Cl F12 N10 O P2 Ru2 -","- C188 H172 Cl4 F48 N40 O4 P8 Ru8 -","4","1","","Cadranel, Alejandro; Tate, Jaired E.; Oviedo, Paola S.; Yamazaki, Shiori; Hodak, José H; Baraldo, Luis M.; Kleiman, Valeria D.","Distant ultrafast energy transfer in a trimetallic {Ru-Ru-Cr} complex facilitated by hole delocalization.","Physical chemistry chemical physics : PCCP","2017","19","4","2882","2893","10.1039/c6cp06562g","","","0.71069","MoKα","","0.2005","0.1127","","","0.2734","0.3624","","","","","","1.017","","","","has coordinates","191762","2020-10-21","18:00:00",""
"7227315","17.694","0.003","17.694","0.003","21.24","0.004","90","","90","","120","","5758.9","1.8","293","2","293","2","","","","","","","","5","P -3 c 1","-P 3 2""c","165","","","","- C72 H60 N24 O24 Y2 -","- C72 H60 N24 O24 Y2 -","- C144 H120 N48 O48 Y4 -","2","0.166667","","Zeng, Cheng-Hui; Luo, Zhixun; Yao, Jiannian","Porous hydrogen-bonded organic‒inorganic frameworks: weak interactions and selective dye filtration","CrystEngComm","2017","19","4","613","","10.1039/C6CE02367C","","","0.71073","MoKα","","0.1401","0.1039","","","0.2891","0.3213","","","","","","1.009","","","","has coordinates","191555","2020-10-21","18:00:00",""
"7227316","17.786","0.003","17.786","0.003","21.419","0.004","90","","90","","120","","5867.9","1.8","296","2","296","2","","","","","","","","5","P -3 c 1","-P 3 2""c","165","","","","- C72 H60 Er2 N24 O24 -","- C72 H60 Er2 N24 O24 -","- C144 H120 Er4 N48 O48 -","2","0.166667","","Zeng, Cheng-Hui; Luo, Zhixun; Yao, Jiannian","Porous hydrogen-bonded organic‒inorganic frameworks: weak interactions and selective dye filtration","CrystEngComm","2017","19","4","613","","10.1039/C6CE02367C","","","0.71073","MoKα","","0.067","0.0594","","","0.1996","0.2076","","","","","","1.003","","","","has coordinates","191555","2020-10-21","18:00:00",""
"7227317","17.788","0.003","17.788","0.003","21.332","0.004","90","","90","","120","","5845.4","1.8","296","2","296","2","","","","","","","","5","P -3 c 1","-P 3 2""c","165","","","","- C72 H60 N24 O24 Tb2 -","- C72 H60 N24 O24 Tb2 -","- C144 H120 N48 O48 Tb4 -","2","0.166667","","Zeng, Cheng-Hui; Luo, Zhixun; Yao, Jiannian","Porous hydrogen-bonded organic‒inorganic frameworks: weak interactions and selective dye filtration","CrystEngComm","2017","19","4","613","","10.1039/C6CE02367C","","","0.71073","MoKα","","0.0645","0.0605","","","0.1654","0.169","","","","","","1.035","","","","has coordinates","191555","2020-10-21","18:00:00",""
"7227318","6.4544","0.0017","14.483","0.004","15.512","0.004","90","","96.399","0.005","90","","1441","0.7","293","2","293","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C15 H10 F3 N O2 S -","- C15 H10 F3 N O2 S -","- C60 H40 F12 N4 O8 S4 -","4","1","","Zhao, Xian; Huang, Yangen; Qing, Feng-Ling; Xu, Xiu-Hua","Synthesis of aryl triflones by insertion of arynes into C‒SO2CF3 bonds","RSC Adv.","2017","7","1","47","","10.1039/C6RA26429H","","","0.71073","MoKα","","0.058","0.0453","","","0.1156","0.124","","","","","","1.08","","","","has coordinates","189355","2020-10-21","18:00:00",""
"7227319","16.14371","0.00017","7.60048","0.00007","16.42538","0.00017","90","","99.4396","0.001","90","","1988.1","0.04","293","","293","","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C25 H20 O5 -","- C25 H20 O5 -","- C100 H80 O20 -","4","1","","Biyogo, Alex Meye; Curti, Christophe; El-Kashef, Hussein; Khoumeri, Omar; Terme, Thierry; Vanelle, Patrice","Mn(OAc)3 catalyzed intermolecular oxidative peroxycyclization of naphthoquinone","RSC Adv.","2017","7","1","106","","10.1039/C6RA25138B","","x-ray","1.54184","CuKα","","0.0409","0.0385","","","0.1005","0.1028","","","","","","1.039","","","","has coordinates","189356","2020-10-21","18:00:00",""
"7227320","7.6077","0.0004","17.9285","0.0007","13.5108","0.0006","90","","97.529","0.004","90","","1826.91","0.15","293","","293","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C20 H17 N O7 -","- C20 H17 N O7 -","- C80 H68 N4 O28 -","4","1","","Biyogo, Alex Meye; Curti, Christophe; El-Kashef, Hussein; Khoumeri, Omar; Terme, Thierry; Vanelle, Patrice","Mn(OAc)3 catalyzed intermolecular oxidative peroxycyclization of naphthoquinone","RSC Adv.","2017","7","1","106","","10.1039/C6RA25138B","","x-ray","0.71073","MoKα","","0.0647","0.0484","","","0.1123","0.1227","","","","","","1.021","","","","has coordinates","189356","2020-10-21","18:00:00",""
"7227321","33.134","0.006","7.3925","0.0003","23.922","0.004","90","","135.55","0.03","90","","4103","2","293","","293","","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C21 H21 N O7.25 -","- C21 H21 N O7.25 -","- C168 H168 N8 O58 -","8","1","","Biyogo, Alex Meye; Curti, Christophe; El-Kashef, Hussein; Khoumeri, Omar; Terme, Thierry; Vanelle, Patrice","Mn(OAc)3 catalyzed intermolecular oxidative peroxycyclization of naphthoquinone","RSC Adv.","2017","7","1","106","","10.1039/C6RA25138B","","x-ray","0.71073","MoKα","","0.0946","0.0685","","","0.2016","0.2234","","","","","","1.069","","","","has coordinates,has disorder","189356","2020-10-21","18:00:00",""
"7227322","7.9834","0.0003","17.6071","0.0006","12.0243","0.0005","90","","102.179","0.004","90","","1652.15","0.11","293","","293","","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C19 H13 N O6 -","- C19 H13 N O6 -","- C76 H52 N4 O24 -","4","1","","Biyogo, Alex Meye; Curti, Christophe; El-Kashef, Hussein; Khoumeri, Omar; Terme, Thierry; Vanelle, Patrice","Mn(OAc)3 catalyzed intermolecular oxidative peroxycyclization of naphthoquinone","RSC Adv.","2017","7","1","106","","10.1039/C6RA25138B","","x-ray","0.71073","MoKα","","0.061","0.0487","","","0.1196","0.1267","","","","","","1.069","","","","has coordinates","189356","2020-10-21","18:00:00",""
"7227323","11.7759","0.0004","12.0137","0.0004","13.2565","0.0005","105.781","0.003","107.535","0.003","92.139","0.003","1706.28","0.11","293","","293","","","","","","","","","4","P -1","-P 1","2","","","","- C19 H15 N O7 -","- C19 H15 N O7 -","- C76 H60 N4 O28 -","4","2","","Biyogo, Alex Meye; Curti, Christophe; El-Kashef, Hussein; Khoumeri, Omar; Terme, Thierry; Vanelle, Patrice","Mn(OAc)3 catalyzed intermolecular oxidative peroxycyclization of naphthoquinone","RSC Adv.","2017","7","1","106","","10.1039/C6RA25138B","","x-ray","0.71073","MoKα","","0.1118","0.0675","","","0.1511","0.1754","","","","","","1.038","","","","has coordinates","203412","2020-10-21","18:00:00",""
"7227324","12.5159","0.001","19.1864","0.0014","9.9596","0.0008","90","","94.649","0.003","90","","2383.8","0.3","296","2","296","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","catena-poly-[bis-μ~4~-(((adamantane-1,3-diyl)‒di-(phen-4-yl))-di-(carboxylato-κO:κO'))‒bis-N,N-dimethylformamide-κO-dimanganese(II)]","","- C27 H29 Mn N O5 -","- C27 H29 Mn N O5 -","- C108 H116 Mn4 N4 O20 -","4","1","","Zhao, Tian; Heering, Christian; Boldog, Ishtvan; Domasevitch, Konstantin V.; Janiak, Christoph","A view on systematic truncation of tetrahedral ligands for coordination polymers","CrystEngComm","2017","19","5","776","","10.1039/C6CE02384C","","","0.71073","MoKα","","0.0706","0.0409","","","0.0877","0.1005","","","","","","1.015","","","","has coordinates","191573","2020-10-21","18:00:00",""
"7227325","11.0682","0.0004","13.5036","0.0005","14.6691","0.0005","70.055","0.002","79.314","0.002","87.896","0.002","2024.37","0.13","296","2","296","2","","","","","","","","5","P -1","-P 1","2","","poly-[dimethylammonium μ~6~-(((adamantane-1,3,5-triyl)- -tri(phen-4-yl))-tri-(carboxylato-κ^2^O,O'))- -(N,N-dimethylformamide-κO)-cadmium(II)],solvate with N,N-dimethylformamide and water","","- C36 H44 Cd N2 O9 -","- C37.5 H25 Cd N1.5 O8.5 -","- C75 H50 Cd2 N3 O17 -","2","1","","Zhao, Tian; Heering, Christian; Boldog, Ishtvan; Domasevitch, Konstantin V.; Janiak, Christoph","A view on systematic truncation of tetrahedral ligands for coordination polymers","CrystEngComm","2017","19","5","776","","10.1039/C6CE02384C","","","0.71073","MoKα","","0.091","0.0713","","","0.2032","0.2217","","","","","","1.073","","","","has coordinates,has disorder","191573","2020-10-21","18:00:00",""
"7227326","17.335","0.003","17.748","0.002","19.551","0.003","90","","90","","90","","6015.1","1.5","296","2","296","2","","","","","","","","4","I m m a","-I 2b 2","74","","catena-[ bis(dimethylammonium) μ~8~-(((adamantane-1,3,5,7-tetrayl)‒tetra-(phen-4-yl))-tetracarboxylato)-manganese(II)]solvate with dimethylformamide and water","","- C38 H28 Mn O8 -","- C38 H28 Mn O8 -","- C152 H112 Mn4 O32 -","4","0.25","","Zhao, Tian; Heering, Christian; Boldog, Ishtvan; Domasevitch, Konstantin V.; Janiak, Christoph","A view on systematic truncation of tetrahedral ligands for coordination polymers","CrystEngComm","2017","19","5","776","","10.1039/C6CE02384C","","","0.71073","MoKα","","0.1334","0.0997","","","0.2883","0.3047","","","","","","0.944","","","","has coordinates","191573","2020-10-21","18:00:00",""
"7227327","7.604","0.008","9.541","0.01","24.58","0.03","90","","90","","90","","1783","3","293","2","293","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C18 H16 Br2 S -","- C18 H16 Br2 S -","- C72 H64 Br8 S4 -","4","1","","Cai, Junmei; Cai, Juewang; Zheng, Purui; Wang, Xiaorong; Zhao, Xiaoming","Chiral carbon‒sulfur center formation via Pd-catalyzed asymmetric allylic thioetherification: synthesis of allylic thioethers","RSC Adv.","2017","7","1","256","","10.1039/C6RA26877C","","","0.71073","MoKα","","0.1302","0.0528","","","0.0964","0.1194","","","","","","1.015","","","","has coordinates","189381","2020-10-21","18:00:00",""
"7227328","20.178","0.002","4.0966","0.0004","25.538","0.002","90","","99.66","0.009","90","","2081.1","0.3","293","2","293","2","","","","","","","","4","I 1 2/a 1","-I 2ya","15","","","","- C11 H7 N O6 -","- C11 H7 N O6 -","- C88 H56 N8 O48 -","8","1","","Pramanik, Apurba; Haldar, Debasish","Packing-induced solid-state fluorescence and thermochromic behavior of peptidic luminophores","RSC Adv.","2017","7","1","389","","10.1039/C6RA24799G","","x-ray","0.71073","MoKα","","0.0844","0.0641","","","0.1602","0.1721","","","","","","1.153","","","","has coordinates","189382","2020-10-21","18:00:00",""
"7227329","7.847","0.0003","14.249","0.0008","15.0925","0.0008","118","0.006","90.705","0.004","92.192","0.004","1488.03","0.15","153","2","153","2","","","","","","","","4","P -1","-P 1","2","","","","- C15 H14 N2 O7 -","- C15 H14 N2 O7 -","- C60 H56 N8 O28 -","4","2","","Pramanik, Apurba; Haldar, Debasish","Packing-induced solid-state fluorescence and thermochromic behavior of peptidic luminophores","RSC Adv.","2017","7","1","389","","10.1039/C6RA24799G","","","0.71073","MoKα","","0.0471","0.0373","","","0.0895","0.0967","","","","","","1.048","","","","has coordinates","189382","2020-10-21","18:00:00",""
"7227330","7.858","0.0008","11.5608","0.0012","13.8689","0.0011","108.556","0.008","94.723","0.007","91.871","0.008","1188.1","0.2","293","2","293","2","","","","","","","","4","P -1","-P 1","2","","","","- C25 H19 N3 O10 -","- C25 H19 N3 O10 -","- C50 H38 N6 O20 -","2","1","","Pramanik, Apurba; Haldar, Debasish","Packing-induced solid-state fluorescence and thermochromic behavior of peptidic luminophores","RSC Adv.","2017","7","1","389","","10.1039/C6RA24799G","","","0.71073","MoKα","","0.1181","0.0726","","","0.1679","0.1887","","","","","","1.041","","","","has coordinates","189382","2020-10-21","18:00:00",""
"7227331","30.2435","0.0005","9.4252","0.0002","18.2742","0.0003","90","","107.545","0.001","90","","4966.76","0.16","130","","130","","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C80 H166 Br6 Cu2 N8 O12 -","- C80 H166 Br6 Cu2 N8 O12 -","- C160 H332 Br12 Cu4 N16 O24 -","2","0.5","","Yao, Junyao; Chen, Qibin; Sheng, Yujie; Kai, Aiting; Liu, Honglai","Reversible water uptake by a porous molecular crystal from metal complex of gemini surfactant","CrystEngComm","2017","19","5","802","","10.1039/C6CE02197B","","","1.54178","CuKα","","0.0633","0.0562","","","0.1537","0.1608","","","","","","1.025","","","","has coordinates","191572","2020-10-21","18:00:00",""
"7227332","18.6401","0.0005","18.6401","0.0005","39.748","0.0009","90","","90","","120","","11960.3","0.5","296","2","296","2","","","","","","","","4","R -3 m :H","-R 3 2""","166","","ZJU-12","","- C28 H18 Cu2 O12 -","- C28 H14 Cu2 O12 -","- C252 H126 Cu18 O108 -","9","0.25","","Duan, Xing; Cui, Yuanjing; Yang, Yu; Qian, Guodong","A novel methoxy-decorated metal‒organic framework exhibiting high acetylene and carbon dioxide storage capacities","CrystEngComm","2017","19","11","1464","","10.1039/C6CE02291J","","","0.71073","MoKα","","0.05","0.0405","","","0.1199","0.1239","","","","","","1.171","","","","has coordinates","195039","2020-10-21","18:00:00",""
"7227333","25.4682","0.0009","25.4682","0.0009","12.316","0.0005","90","","90","","120","","6918.3","0.4","223","0.1","223","0.1","","","","","","","","6","R -3","-R 3","148","","","","- C14 H18 Cl N3 O Se -","- C14 H16 Cl N3 O Se -","- C252 H288 Cl18 N54 O18 Se18 -","18","","","Fang, Yi; Zhu, Zheng-Lin; Xu, Pei; Wang, Shun-Yi; Ji, Shun-Jun","Aerobic radical-cascade cycloaddition of isocyanides, selenium and imidamides: facile access to 1,2,4-selenadiazoles under metal-free conditions","Green Chem.","2017","19","7","1613","","10.1039/C6GC03521C","","","0.71073","MoKα","","0.0706","0.0475","","","0.109","0.1206","","","","","","1.05","","","","has coordinates,has disorder","195144","2020-10-21","18:00:00",""
"7227334","7.4459","0.0004","17.9293","0.0009","17.1981","0.001","90","","98.529","0.002","90","","2270.6","0.2","150","","150","","","","","","","","","3","C 1 2/c 1","-C 2yc","15","","[6]helicene - PhF6 complex","","- C32 H16 F6 -","- C32 H16 F6 -","- C128 H64 F24 -","4","0.5","","Dračínský, Martin; Storch, Jan; Církva, Vladimír; Císařová, Ivana; Sýkora, Jan","Internal dynamics in helical molecules studied by X-ray diffraction, NMR spectroscopy and DFT calculations.","Physical chemistry chemical physics : PCCP","2017","19","4","2900","2907","10.1039/c6cp07552e","","","0.71073","MoKα","","0.0474","0.0404","","0.0943","0.0926","0.0926","","","","","","1.0302","","","","has coordinates","191760","2020-10-21","18:00:00",""
"7227335","7.5783","0.0006","20.3575","0.0016","11.4292","0.0008","90","","101.178","0.003","90","","1729.8","0.2","150","","150","","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","tetrafluoro[6]helicene","","- C26 H12 F4 -","- C26 H12 F4 -","- C104 H48 F16 -","4","1","","Dračínský, Martin; Storch, Jan; Církva, Vladimír; Císařová, Ivana; Sýkora, Jan","Internal dynamics in helical molecules studied by X-ray diffraction, NMR spectroscopy and DFT calculations.","Physical chemistry chemical physics : PCCP","2017","19","4","2900","2907","10.1039/c6cp07552e","","","0.71073","MoKα","","0.0436","0.041","","0.0873","0.0869","0.0869","","","","","","1.0085","","","","has coordinates","191760","2020-10-21","18:00:00",""
"7227336","7.3058","0.0002","12.947","0.0005","17.4452","0.0006","90","","90","","90","","1650.11","0.1","100","","100","","","","","","","","","2","P 21 21 21","P 2ac 2ab","19","","[6]helicene","","- C26 H16 -","- C26 H16 -","- C104 H64 -","4","1","","Dračínský, Martin; Storch, Jan; Církva, Vladimír; Císařová, Ivana; Sýkora, Jan","Internal dynamics in helical molecules studied by X-ray diffraction, NMR spectroscopy and DFT calculations.","Physical chemistry chemical physics : PCCP","2017","19","4","2900","2907","10.1039/c6cp07552e","","","0.71073","MoKα","","0.0368","0.0331","","0.0825","0.081","0.081","","","","","","0.9382","","","","has coordinates","191760","2020-10-21","18:00:00",""
"7227337","7.3417","0.0003","13.1529","0.0004","17.5885","0.0005","90","","90","","90","","1698.43","0.1","300","","300","","","","","","","","","2","P 21 21 21","P 2ac 2ab","19","","[6]helicene","","- C26 H16 -","- C26 H16 -","- C104 H64 -","4","1","","Dračínský, Martin; Storch, Jan; Církva, Vladimír; Císařová, Ivana; Sýkora, Jan","Internal dynamics in helical molecules studied by X-ray diffraction, NMR spectroscopy and DFT calculations.","Physical chemistry chemical physics : PCCP","2017","19","4","2900","2907","10.1039/c6cp07552e","","","0.71073","MoKα","","0.0508","0.0392","","0.1126","0.08","0.08","","","","","","0.982","","","","has coordinates","191760","2020-10-21","18:00:00",""
"7227338","7.328","0.0003","13.04","0.0006","17.449","0.0005","90","","90","","90","","1667.38","0.11","150","","150","","","","","","","","","2","P 21 21 21","P 2ac 2ab","19","","[6]helicene","","- C26 H16 -","- C26 H16 -","- C104 H64 -","4","1","","Dračínský, Martin; Storch, Jan; Církva, Vladimír; Císařová, Ivana; Sýkora, Jan","Internal dynamics in helical molecules studied by X-ray diffraction, NMR spectroscopy and DFT calculations.","Physical chemistry chemical physics : PCCP","2017","19","4","2900","2907","10.1039/c6cp07552e","","","0.71073","MoKα","","0.0494","0.0345","","0.0936","0.0795","0.0795","","","","","","1.0363","","","","has coordinates","191760","2020-10-21","18:00:00",""
"7227339","24.4406","0.0008","4.3182","0.0002","11.0826","0.0004","90","","90","","90","","1169.65","0.08","298","2","298","2","","","","","","","","4","P c a 21","P 2c -2ac","29","","","","- C16 H10 N2 O -","- C16 H10 N2 O -","- C64 H40 N8 O4 -","4","1","","Yin, Bo; Huang, Panpan; Lu, Yingbing; Liu, Liangxian","TEMPO-catalyzed oxidative homocoupling route to 3,2′-biindolin-2-ones via an indolin-3-one intermediate","RSC Adv.","2017","7","2","606","","10.1039/C6RA24834A","","","0.71073","MoKα","","0.1002","0.0397","","","0.0557","0.0649","","","","","","0.831","","","","has coordinates","189817","2020-10-21","18:00:00",""
"7227340","11.2125","0.0019","6.7337","0.0011","15.886","0.003","90","","104.314","0.004","90","","1162.2","0.4","293","2","293","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C24 H33 F3 O3 S -","- C24 H33 F3 O3 S -","- C48 H66 F6 O6 S2 -","2","1","","He, Bin; Xiao, Zhiwei; Wu, Hao; Guo, Yong; Chen, Qing-Yun; Liu, Chao","Oxidative decarboxylative radical trifluoromethylthiolation of alkyl carboxylic acids with silver(i) trifluoromethanethiolate and selectfluor","RSC Adv.","2017","7","2","880","","10.1039/C6RA26133G","","","0.71073","MoKα","","0.0946","0.0744","","","0.1911","0.2107","","","","","","1.042","","","","has coordinates,has disorder","189818","2020-10-21","18:00:00",""
"7227341","12.7203","0.0002","13.7758","0.0003","15.8945","0.0003","90","","100.925","0.002","90","","2734.75","0.09","150","2","150","0.1","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C54 H72 Br2 N6 Sn2 -","- C54 H72 Br2 N6 Sn2 -","- C108 H144 Br4 N12 Sn4 -","2","0.5","","Ochiai, Tatsumi; Inoue, Shigeyoshi","Synthesis of a cyclopentadienyl(imino)stannylene and its direct conversion into halo(imino)stannylenes","RSC Adv.","2017","7","2","801","","10.1039/C6RA27697K","","x-ray","1.54184","CuKα","","0.0452","0.0367","","","0.0904","0.0978","","","","","","1.02","","","","has coordinates,has disorder","189819","2020-10-21","18:00:00",""
"7227342","11.0955","0.0003","23.0198","0.0005","25.7805","0.0006","90","","95.263","0.002","90","","6557","0.3","150","2","150","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C72 H98 N6 O2 Sn2 -","- C72 H98 N6 O2 Sn2 -","- C288 H392 N24 O8 Sn8 -","4","1","","Ochiai, Tatsumi; Inoue, Shigeyoshi","Synthesis of a cyclopentadienyl(imino)stannylene and its direct conversion into halo(imino)stannylenes","RSC Adv.","2017","7","2","801","","10.1039/C6RA27697K","","","1.54184","CuKα","","0.0994","0.0915","","","0.2201","0.2233","","","","","","1.158","","","","has coordinates","189819","2020-10-21","18:00:00",""
"7227343","12.7248","0.0003","9.5216","0.0002","18.8321","0.0005","90","","90","","90","","2281.71","0.09","293","2","293","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","N,N'-bis(isoquinolinecarboxamide)-1,6-hexane","","- C26 H26 N4 O2 -","- C26 H26 N4 O2 -","- C104 H104 N16 O8 -","4","0.5","","Parra, Nicole; Belmar, Julio B.; Jiménez, Claudio A.; Pasán, Jorge; Ruiz-Pérez, Catalina","Crystal structure analysis of supramolecular arrangements in bis(1-isoquinolinecarboxamide)alkanes and their Ag(i) complexes","CrystEngComm","2017","19","7","1076","","10.1039/C6CE02393B","","","1.54184","CuKα","","0.0527","0.0471","","","0.1358","0.1432","","","","","","1.064","","","","has coordinates","193763","2020-10-21","18:00:00",""
"7227344","7.5367","0.0003","8.3723","0.0003","19.4198","0.0007","88.709","0.003","82.328","0.003","89.464","0.003","1214.08","0.08","293","2","293","2","","","","","","","","6","P -1","-P 1","2","","4b","","- C23 H22 Ag Cl N4 O7 -","- C23 H22 Ag Cl N4 O7 -","- C46 H44 Ag2 Cl2 N8 O14 -","2","1","","Parra, Nicole; Belmar, Julio B.; Jiménez, Claudio A.; Pasán, Jorge; Ruiz-Pérez, Catalina","Crystal structure analysis of supramolecular arrangements in bis(1-isoquinolinecarboxamide)alkanes and their Ag(i) complexes","CrystEngComm","2017","19","7","1076","","10.1039/C6CE02393B","","","1.54184","CuKα","","0.0362","0.0346","","","0.0946","0.0966","","","","","","1.035","","","","has coordinates,has disorder","193763","2020-10-21","18:00:00",""
"7227345","19.2319","0.0008","13.1155","0.0002","9.2503","0.0004","90","","128.558","0.006","90","","1824.56","0.19","293","2","293","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","N,N'-bis(1-isoquinolinecarboxamide)-1,2-ethane","","- C22 H18 N4 O2 -","- C22 H18 N4 O2 -","- C88 H72 N16 O8 -","4","0.5","","Parra, Nicole; Belmar, Julio B.; Jiménez, Claudio A.; Pasán, Jorge; Ruiz-Pérez, Catalina","Crystal structure analysis of supramolecular arrangements in bis(1-isoquinolinecarboxamide)alkanes and their Ag(i) complexes","CrystEngComm","2017","19","7","1076","","10.1039/C6CE02393B","","","1.54184","CuKα","","0.0467","0.045","","","0.1138","0.1156","","","","","","1.104","","","","has coordinates","193763","2020-10-21","18:00:00",""
"7227346","8.2326","0.0001","12.4302","0.0002","9.8859","0.0002","90","","102.96","0.002","90","","985.88","0.03","293","2","293","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","N,N'-bis(isoquinolinecarboxamide)-1,4-buthane","","- C24 H22 N4 O2 -","- C24 H22 N4 O2 -","- C48 H44 N8 O4 -","2","0.5","","Parra, Nicole; Belmar, Julio B.; Jiménez, Claudio A.; Pasán, Jorge; Ruiz-Pérez, Catalina","Crystal structure analysis of supramolecular arrangements in bis(1-isoquinolinecarboxamide)alkanes and their Ag(i) complexes","CrystEngComm","2017","19","7","1076","","10.1039/C6CE02393B","","","1.54184","CuKα","","0.0366","0.0348","","","0.0992","0.1012","","","","","","1.085","","","","has coordinates","193763","2020-10-21","18:00:00",""
"7227347","13.4447","0.0004","8.7623","0.0002","17.9862","0.0005","90","","90","","90","","2118.89","0.1","293","2","293","2","","","","","","","","4","P b c n","-P 2n 2ab","60","","N,N'-bis(isoquinolinecarboxamide)-1,5-pentane","","- C25 H24 N4 O2 -","- C25 H24 N4 O2 -","- C100 H96 N16 O8 -","4","0.5","","Parra, Nicole; Belmar, Julio B.; Jiménez, Claudio A.; Pasán, Jorge; Ruiz-Pérez, Catalina","Crystal structure analysis of supramolecular arrangements in bis(1-isoquinolinecarboxamide)alkanes and their Ag(i) complexes","CrystEngComm","2017","19","7","1076","","10.1039/C6CE02393B","","","1.54184","CuKα","","0.0404","0.0371","","","0.104","0.1078","","","","","","1.074","","","","has coordinates","193763","2020-10-21","18:00:00",""
"7227348","9.2783","0.0003","11.1478","0.0004","13.0263","0.0006","100.674","0.003","101.046","0.004","91.916","0.003","1296.18","0.09","175","0.1","175","0.1","","","","","","","","6","P -1","-P 1","2","","","","- C50 H54 Ag2 Cl2 N8 O15 -","- C50 H50 Ag2 Cl2 N8 O15 -","- C50 H50 Ag2 Cl2 N8 O15 -","1","0.5","","Parra, Nicole; Belmar, Julio B.; Jiménez, Claudio A.; Pasán, Jorge; Ruiz-Pérez, Catalina","Crystal structure analysis of supramolecular arrangements in bis(1-isoquinolinecarboxamide)alkanes and their Ag(i) complexes","CrystEngComm","2017","19","7","1076","","10.1039/C6CE02393B","","","1.54184","CuKα","","0.0334","0.0297","","","0.07","0.0732","","","","","","1.038","","","","has coordinates,has disorder","193763","2020-10-21","18:00:00",""
"7227349","7.7056","0.0002","14.8087","0.0003","21.2528","0.0006","90","","117.472","0.004","90","","2151.69","0.12","293","2","293","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C22 H18 Ag Cl N4 O6 -","- C22 H18 Ag Cl N4 O6 -","- C88 H72 Ag4 Cl4 N16 O24 -","4","1","","Parra, Nicole; Belmar, Julio B.; Jiménez, Claudio A.; Pasán, Jorge; Ruiz-Pérez, Catalina","Crystal structure analysis of supramolecular arrangements in bis(1-isoquinolinecarboxamide)alkanes and their Ag(i) complexes","CrystEngComm","2017","19","7","1076","","10.1039/C6CE02393B","","","1.54184","CuKα","","0.0355","0.0276","","","0.067","0.071","","","","","","1.03","","","","has coordinates","193763","2020-10-21","18:00:00",""
"7227350","22.6498","0.0007","9.4681","0.0003","13.4041","0.0003","90","","92.921","0.003","90","","2870.78","0.14","293","2","293","2","","","","","","","","6","C 1 2 1","C 2y","5","","","","- C26 H26 Ag Cl N4 O6 -","- C26 H26 Ag Cl N4 O6 -","- C104 H104 Ag4 Cl4 N16 O24 -","4","1","","Parra, Nicole; Belmar, Julio B.; Jiménez, Claudio A.; Pasán, Jorge; Ruiz-Pérez, Catalina","Crystal structure analysis of supramolecular arrangements in bis(1-isoquinolinecarboxamide)alkanes and their Ag(i) complexes","CrystEngComm","2017","19","7","1076","","10.1039/C6CE02393B","","","1.54184","CuKα","","0.0539","0.0522","","","0.1434","0.1468","","","","","","1.072","","","","has coordinates,has disorder","193763","2020-10-21","18:00:00",""
"7227351","12.2945","0.0006","18.6277","0.0008","11.5504","0.0006","90","","90","","90","","2645.3","0.2","293","2","293","2","","","","","","","","6","P n n a","-P 2a 2bc","52","","1f","","- C27 H28 Ag Cl N4 O6 -","- C27 H28 Ag Cl N4 O6 -","- C108 H112 Ag4 Cl4 N16 O24 -","4","0.5","","Parra, Nicole; Belmar, Julio B.; Jiménez, Claudio A.; Pasán, Jorge; Ruiz-Pérez, Catalina","Crystal structure analysis of supramolecular arrangements in bis(1-isoquinolinecarboxamide)alkanes and their Ag(i) complexes","CrystEngComm","2017","19","7","1076","","10.1039/C6CE02393B","","","1.54184","CuKα","","0.0659","0.062","","","0.1788","0.1849","","","","","","1.08","","","","has coordinates","193763","2020-10-21","18:00:00",""
"7227352","10.166","0.002","13.696","0.003","17.241","0.003","104.5","0.03","105.38","0.03","92.03","0.03","2227.5","0.9","298","2","298","2","","","","","","","","7","P -1","-P 1","2","2-ethylcyanoacetate-12,13-dibromo-5,10,15,20-tetraphenylporphyrin Cu(II)complex","2-ethylcyanoacetate-12,13-dibromo-5,10,15,20-tetraphenylporphyrinatocopper(II)","","- C101.5 H61.5 Br4 Cl4.5 Cu2 N10 O4 -","- C101.5 H61.5 Br4 Cl4.5 Cu2 N10 O4 -","- C101.5 H61.5 Br4 Cl4.5 Cu2 N10 O4 -","1","0.5","","Chahal, Mandeep K.; Sankar, Muniappan; Butcher, Ray J.","An insight into the communication between β-olefin/phenyl olefin-mediated acceptors and porphyrin π-system: a way to establish porphyrin based chemodosimeters and chemosensors.","Physical chemistry chemical physics : PCCP","2017","19","6","4530","4540","10.1039/c6cp08396j","","","0.71073","MoKα","","0.1154","0.0765","","","0.2206","0.2556","","","","","","1.032","","","","has coordinates,has disorder","193914","2020-10-21","18:00:00",""
"7227353","24.899","0.005","12.615","0.003","33.689","0.007","90","","98.7","0.03","90","","10460","4","298","2","298","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","2-Nitro-12,13-bis(4-dicyanovinylphenyl)-meso-tetraphenylporphyrin Ni(II) complex","2-Nitro-12,13-bis(4-dicyanovinylphenyl)-5,10,15,20-tetraphenylporphyrinatonickel(II)","","- C64 H34 N9 Ni O2 -","- C64 H34 N9 Ni O2 -","- C512 H272 N72 Ni8 O16 -","8","1","","Chahal, Mandeep K.; Sankar, Muniappan; Butcher, Ray J.","An insight into the communication between β-olefin/phenyl olefin-mediated acceptors and porphyrin π-system: a way to establish porphyrin based chemodosimeters and chemosensors.","Physical chemistry chemical physics : PCCP","2017","19","6","4530","4540","10.1039/c6cp08396j","","","0.71073","MoKα","","0.2295","0.0791","","","0.1922","0.2539","","","","","","0.889","","","","has coordinates,has disorder","193914","2020-10-21","18:00:00",""
"7227354","13.236","0.003","16.471","0.003","24.435","0.005","90.79","0.03","103.49","0.03","96.01","0.03","5148","2","299","2","299","2","","","","","","","","6","P -1","-P 1","2","2-Nitro-12,13-bis(4-formylphenyl)-5,10,15,20-tetraphenylporphyrin nickel(II) complex","2-Nitro-12,13-bis(4-formylphenyl)-5,10,15,20-tetraphenylporphyrinatonickel(II)","","- C233 H141 Cl3 N20 Ni4 O16 -","- C233 H141 Cl3 N20 Ni4 O16 -","- C233 H141 Cl3 N20 Ni4 O16 -","1","0.5","","Chahal, Mandeep K.; Sankar, Muniappan; Butcher, Ray J.","An insight into the communication between β-olefin/phenyl olefin-mediated acceptors and porphyrin π-system: a way to establish porphyrin based chemodosimeters and chemosensors.","Physical chemistry chemical physics : PCCP","2017","19","6","4530","4540","10.1039/c6cp08396j","","","0.71073","MoKα","","0.17","0.0748","","","0.1995","0.2566","","","","","","0.969","","","","has coordinates,has disorder","193914","2020-10-21","18:00:00",""
"7227355","10.2909","0.0009","10.655","0.001","11.4221","0.0011","79.594","0.002","75.334","0.002","61.906","0.001","1066.09","0.17","298","2","298","2","","","","","","","","5","P -1","-P 1","2","","","","- C39 H46 Mn2 N4 O19 -","- C39 H46 Mn2 N4 O19 -","- C39 H46 Mn2 N4 O19 -","1","0.5","","Li, Ling; Lv, Lei; Huang, Ru-Dan","A series of coordination polymers based on terphenyl tetracarboxylates and bis-pyridyl ligands with water vapor sorption properties","RSC Adv.","2017","7","2","975","","10.1039/C6RA25319A","","","0.71073","MoKα","","0.1062","0.0621","","","0.1514","0.1827","","","","","","1.03","","","","has coordinates,has disorder","189876","2020-10-21","18:00:00",""
"7227356","11.463","0.0009","11.835","0.001","11.893","0.0011","74.149","0.001","88.61","0.002","87.414","0.002","1550.4","0.2","298","2","298","2","","","","","","","","5","P -1","-P 1","2","","","","- C68 H48 Mn4 N4 O22 -","- C68 H48 Mn4 N4 O22 -","- C68 H48 Mn4 N4 O22 -","1","0.5","","Li, Ling; Lv, Lei; Huang, Ru-Dan","A series of coordination polymers based on terphenyl tetracarboxylates and bis-pyridyl ligands with water vapor sorption properties","RSC Adv.","2017","7","2","975","","10.1039/C6RA25319A","","","0.71073","MoKα","","0.2103","0.1324","","","0.3214","0.3532","","","","","","1.038","","","","has coordinates","189876","2020-10-21","18:00:00",""
"7227357","13.545","0.0012","20.0472","0.0018","12.8501","0.0011","90","","91.381","0.001","90","","3488.3","0.5","298","2","298","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C38 H36 N4 Ni O10 -","- C38 H36 N4 Ni O10 -","- C152 H144 N16 Ni4 O40 -","4","1","","Li, Ling; Lv, Lei; Huang, Ru-Dan","A series of coordination polymers based on terphenyl tetracarboxylates and bis-pyridyl ligands with water vapor sorption properties","RSC Adv.","2017","7","2","975","","10.1039/C6RA25319A","","","0.71073","MoKα","","0.0812","0.046","","","0.0818","0.0892","","","","","","1.056","","","","has coordinates","189876","2020-10-21","18:00:00",""
"7227358","12.361","0.0011","12.7309","0.0012","12.7571","0.0014","83.027","0.002","82.921","0.001","70.982","0.001","1876.4","0.3","298","2","298","2","","","","","","","","5","P -1","-P 1","2","","","","- C38 H40 Co2 N4 O13 -","- C38 H40 Co2 N4 O13 -","- C76 H80 Co4 N8 O26 -","2","1","","Li, Ling; Lv, Lei; Huang, Ru-Dan","A series of coordination polymers based on terphenyl tetracarboxylates and bis-pyridyl ligands with water vapor sorption properties","RSC Adv.","2017","7","2","975","","10.1039/C6RA25319A","","","0.71073","MoKα","","0.1662","0.1307","","","0.3409","0.3708","","","","","","1.256","","","","has coordinates","189876","2020-10-21","18:00:00",""
"7227359","8.581","0.0007","10.278","0.0008","12.214","0.0011","79.344","0.002","71.749","0.001","68.861","0.001","951.03","0.14","298","2","298","2","","","","","","","","5","P -1","-P 1","2","","","","- C38 H38 Co2 N4 O16 -","- C38 H38 Co2 N4 O16 -","- C38 H38 Co2 N4 O16 -","1","0.5","","Li, Ling; Lv, Lei; Huang, Ru-Dan","A series of coordination polymers based on terphenyl tetracarboxylates and bis-pyridyl ligands with water vapor sorption properties","RSC Adv.","2017","7","2","975","","10.1039/C6RA25319A","","","0.71073","MoKα","","0.127","0.1007","","","0.2669","0.288","","","","","","1.016","","","","has coordinates,has disorder","189876","2020-10-21","18:00:00",""
"7227360","10.723","0.0009","11.8829","0.0011","13.6481","0.0012","88.316","0.002","70.259","0.001","78.075","0.002","1600","0.2","298","2","298","2","","","","","","","","5","P -1","-P 1","2","","","","- C68 H64 Co2 N8 O20 -","- C68 H64 Co2 N8 O20 -","- C68 H64 Co2 N8 O20 -","1","0.5","","Li, Ling; Lv, Lei; Huang, Ru-Dan","A series of coordination polymers based on terphenyl tetracarboxylates and bis-pyridyl ligands with water vapor sorption properties","RSC Adv.","2017","7","2","975","","10.1039/C6RA25319A","","","0.71073","MoKα","","0.2697","0.1471","","","0.2957","0.4166","","","","","","1.017","","","","has coordinates,has disorder","189876","2020-10-21","18:00:00",""
"7227361","6.3993","0.0003","11.0228","0.0005","13.8844","0.0009","106.376","0.005","98.689","0.005","106.505","0.003","872.02","0.09","296","2","296","2","","","","","","","","4","P -1","-P 1","2","","","","- C20 H20 N4 O2 -","- C20 H20 N4 O2 -","- C40 H40 N8 O4 -","2","1","","Zhang, Yong; Wei, Biao-Wen; Wang, Wen-Xin; Deng, Lei-Ling; Nie, Long-Jun; Luo, Hai-Qing; Fan, Xiao-Lin","Direct vinylogous oxidative cross-dehydrogenative coupling of 4-nitroisoxazoles with N-aryl tetrahydroisoquinolines in water under air conditions","RSC Adv.","2017","7","3","1229","","10.1039/C6RA26126D","","","0.71073","MoKα","","0.0758","0.0504","","","0.1293","0.1464","","","","","","1.044","","","","has coordinates","189877","2020-10-21","18:00:00",""
"7227362","9.6638","0.0017","6.6901","0.0011","24.67","0.004","90","","99.732","0.008","90","","1572","0.5","296","2","296","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","Ethenzamide-24Dihydroxybenzoic acid","","- C16 H16 N O6 -","- C16 H16 N O6 -","- C64 H64 N4 O24 -","4","1","","Sarmah, Kashyap Kumar; Boro, Kaveri; Arhangelskis, Mihails; Thakuria, Ranjit","Crystal structure landscape of ethenzamide: a physicochemical property study","CrystEngComm","2017","19","5","826","","10.1039/C6CE02057G","","","0.71073","MoKα","","0.0729","0.0449","","","0.136","0.1627","","","","","","1.044","","","","has coordinates,has disorder","191570","2020-10-21","18:00:00",""
"7227363","11.1756","0.0012","11.7633","0.0014","12.2009","0.0014","95.319","0.008","102.434","0.007","100.852","0.007","1523.4","0.3","296","2","296","2","","","","","","","","4","P -1","-P 1","2","","Ethenzamide-35Dihydroxybenzoicacid dihydrate","","- C30 H33 N O16 -","- C30 H31 N O16 -","- C60 H62 N2 O32 -","2","1","","Sarmah, Kashyap Kumar; Boro, Kaveri; Arhangelskis, Mihails; Thakuria, Ranjit","Crystal structure landscape of ethenzamide: a physicochemical property study","CrystEngComm","2017","19","5","826","","10.1039/C6CE02057G","","","0.71073","MoKα","","0.1767","0.0682","","","0.1688","0.2191","","","","","","0.957","","","","has coordinates","191570","2020-10-21","18:00:00",""
"7227364","14.9229","0.0008","18.9781","0.0013","21.8605","0.0014","90","","90","","90","","6191.1","0.7","296","2","296","2","","","","","","","","4","I b c a","-I 2b 2c","73","","Ethenzamide-35Dihydroxybenzoic acid","","- C16 H17 N O6 -","- C16 H17 N O6 -","- C256 H272 N16 O96 -","16","1","","Sarmah, Kashyap Kumar; Boro, Kaveri; Arhangelskis, Mihails; Thakuria, Ranjit","Crystal structure landscape of ethenzamide: a physicochemical property study","CrystEngComm","2017","19","5","826","","10.1039/C6CE02057G","","","0.71073","MoKα","","0.0802","0.0538","","","0.1428","0.1621","","","","","","1.041","","","","has coordinates","191570","2020-10-21","18:00:00",""
"7227365","15.539","0.002","7.4265","0.001","31.796","0.004","90","","90","","90","","3669.3","0.8","296","2","296","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","Ethenzamide Ferulic acid","","- C19 H21 N O6 -","- C19 H21 N O6 -","- C152 H168 N8 O48 -","8","1","","Sarmah, Kashyap Kumar; Boro, Kaveri; Arhangelskis, Mihails; Thakuria, Ranjit","Crystal structure landscape of ethenzamide: a physicochemical property study","CrystEngComm","2017","19","5","826","","10.1039/C6CE02057G","","","0.71073","MoKα","","0.1115","0.0511","","","0.1342","0.1617","","","","","","1.072","","","","has coordinates","191570","2020-10-21","18:00:00",""
"7227366","17.8433","0.0001","8.2767","0.0003","15.1223","0.0006","90","","115.072","0.001","90","","2022.88","0.11","295","2","295","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","Clonidine","2-(2,6-dichlorophenylamino)-2-imidazoline","","- C9 H9 Cl2 N3 -","- C9 H9 Cl2 N3 -","- C72 H72 Cl16 N24 -","8","2","","Kolesnikova, Inna N.; Rykov, Anatolii N.; Shishkov, Igor F.; Tafeenko, Victor A.; Aslanov, Leonid A.","Molecular structure of clonidine: gas-phase electron diffraction, single-crystal X-ray diffraction and quantum chemical studies.","Physical chemistry chemical physics : PCCP","2017","19","6","4618","4626","10.1039/c6cp08401j","","","1.54186","CuKα","","0.0718","0.0402","","","0.0937","0.1089","","","","","","0.894","","","","has coordinates","193913","2020-10-21","18:00:00",""
"7227367","18.2906","0.001","7.9655","0.0004","12.6721","0.0007","90","","93.119","0.002","90","","1843.51","0.17","293","2","293","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","dodecyltrimethylphosphonium bromide","","- C15 H34 Br P -","- C15 H34 Br P -","- C60 H136 Br4 P4 -","4","1","","Gamarra, Ana; Urpí, Lourdes; Martínez de Ilarduya, Antxon; Muñoz-Guerra, Sebastián","Crystalline structure and thermotropic behavior of alkyltrimethylphosphonium amphiphiles.","Physical chemistry chemical physics : PCCP","2017","19","6","4370","4382","10.1039/c6cp08304h","","","0.71073","MoKα","","0.048","0.0298","","","0.072","0.0814","","","","","","1.046","","","","has coordinates","193910","2020-10-21","18:00:00",""
"7227368","17.5609","0.0008","26.6596","0.0013","19.7774","0.0009","90","","96.521","0.002","90","","9199.2","0.7","293","2","293","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C64 H76 Br2.09 Cd2 Cl5.91 N30 O26.5 -","- C64 H76 Br2.089 Cd2 Cl5.911 N30 O26.5 -","- C256 H304 Br8.356 Cd8 Cl23.644 N120 O106 -","4","1","","Gao, Zhongzheng; Bai, Dong; Chen, Lixia; Tao, Zhu; Xiao, Xin; Prior, Timothy J.; Redshaw, Carl","A study of the interaction between inverted cucurbit[7]uril and symmetric viologens","RSC Adv.","2017","7","1","461","","10.1039/C6RA24780F","","","0.71073","MoKα","","0.1046","0.0511","","","0.1225","0.1546","","","","","","1.02","","","","has coordinates,has disorder","189960","2020-10-21","18:00:00",""
"7227369","17.8377","0.0005","26.1661","0.0009","19.5368","0.0009","90","","98.161","0.003","90","","9026.3","0.6","293","2","293","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C117 H85 Cd4 Cl16 N58 O36 -","- C117 H84 Cd4 Cl16 N59 O36 -","- C234 H168 Cd8 Cl32 N118 O72 -","2","0.5","","Gao, Zhongzheng; Bai, Dong; Chen, Lixia; Tao, Zhu; Xiao, Xin; Prior, Timothy J.; Redshaw, Carl","A study of the interaction between inverted cucurbit[7]uril and symmetric viologens","RSC Adv.","2017","7","1","461","","10.1039/C6RA24780F","","","0.71073","MoKα","","0.1658","0.1083","","","0.2972","0.3678","","","","","","1.047","","","","has coordinates,has disorder","189960","2020-10-21","18:00:00",""
"7227370","9.45444","0.00013","17.6795","0.0003","14.4839","0.0002","90","","93.4373","0.0013","90","","2416.63","0.06","298","2","298","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","Glibenclamide","5-chloro-N-(4-[N-(cyclohexylcarbamoyl)sulfamoyl]phenethyl)-2-methoxybenzamide","","- C23 H28 Cl N3 O5 S -","- C23 H28 Cl N3 O5 S -","- C92 H112 Cl4 N12 O20 S4 -","4","1","","Suresh, Kuthuru; Khandavilli, U. B. Rao; Gunnam, Anilkumar; Nangia, Ashwini","Polymorphism, isostructurality and physicochemical properties of glibenclamide salts","CrystEngComm","2017","19","6","918","","10.1039/C6CE02295B","","","1.54184","CuKα","","0.0553","0.0504","","","0.1387","0.1458","","","","","","1.008","","","","has coordinates","193758","2020-10-21","18:00:00",""
"7227371","19.5991","0.0016","5.8086","0.0003","23.4722","0.0017","90","","108.746","0.008","90","","2530.4","0.3","298","2","298","2","","","","","","","","7","P 1 21/n 1","-P 2yn","14","Glibenclamide-sodiumhydrate salt","5-chloro-N-(4-[N-(cyclohexylcarbamoyl)sulfamoyl]phenethyl)-2-methoxybenzamide-sodium-hydrate","","- C23 H27 Cl N3 Na O6 S -","- C23 H27 Cl N3 Na O6 S -","- C92 H108 Cl4 N12 Na4 O24 S4 -","4","1","","Suresh, Kuthuru; Khandavilli, U. B. Rao; Gunnam, Anilkumar; Nangia, Ashwini","Polymorphism, isostructurality and physicochemical properties of glibenclamide salts","CrystEngComm","2017","19","6","918","","10.1039/C6CE02295B","","","1.54184","CuKα","","0.1202","0.0844","","","0.2244","0.275","","","","","","1.044","","","","has coordinates","193758","2020-10-21","18:00:00",""
"7227372","19.718","0.004","6.1475","0.0011","21.732","0.005","90","","109.25","0.02","90","","2487","0.9","298","2","298","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","Glibenclamide-ammonium salt","5-chloro-N-(4-[N-(cyclohexylcarbamoyl)sulfamoyl]phenethyl)-2-methoxybenzamide-ammonium","","- C23 H31 Cl N4 O5 S -","- C23 H31 Cl N4 O5 S -","- C92 H124 Cl4 N16 O20 S4 -","4","1","","Suresh, Kuthuru; Khandavilli, U. B. Rao; Gunnam, Anilkumar; Nangia, Ashwini","Polymorphism, isostructurality and physicochemical properties of glibenclamide salts","CrystEngComm","2017","19","6","918","","10.1039/C6CE02295B","","","0.71073","MoKα","","0.2463","0.0644","","","0.0682","0.0919","","","","","","0.77","","","","has coordinates","193758","2020-10-21","18:00:00",""
"7227373","10.9425","0.001","10.1583","0.0007","11.5023","0.0011","90","","91.164","0.009","90","","1278.3","0.19","298","2","298","2","","","","","","","","7","P 1 21 1","P 2yb","4","Glibenclamidesodium salt","5-chloro-N-(4-[N-(cyclohexylcarbamoyl)sulfamoyl]phenethyl)-2-methoxybenzamide-sodium","","- C23 H27 Cl N3 Na O5 S -","- C23 H27 Cl N3 Na O5 S -","- C46 H54 Cl2 N6 Na2 O10 S2 -","2","1","","Suresh, Kuthuru; Khandavilli, U. B. Rao; Gunnam, Anilkumar; Nangia, Ashwini","Polymorphism, isostructurality and physicochemical properties of glibenclamide salts","CrystEngComm","2017","19","6","918","","10.1039/C6CE02295B","","","1.54184","CuKα","","0.0867","0.0617","","","0.1366","0.1569","","","","","","1.069","","","","has coordinates","193758","2020-10-21","18:00:00",""
"7227374","19.819","0.004","6.2006","0.0009","21.636","0.005","90","","109.69","0.02","90","","2503.4","0.9","298","2","298","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","Glibenclamide-potassium salt","5-chloro-N-(4-[N-(cyclohexylcarbamoyl)sulfamoyl]phenethyl)-2-methoxybenzamide-potassium","","- C23 H27 Cl K N3 O5 S -","- C23 H27 Cl K N3 O5 S -","- C92 H108 Cl4 K4 N12 O20 S4 -","4","1","","Suresh, Kuthuru; Khandavilli, U. B. Rao; Gunnam, Anilkumar; Nangia, Ashwini","Polymorphism, isostructurality and physicochemical properties of glibenclamide salts","CrystEngComm","2017","19","6","918","","10.1039/C6CE02295B","","","0.71073","MoKα","","0.1575","0.0832","","","0.2247","0.2568","","","","","","0.984","","","","has coordinates","193758","2020-10-21","18:00:00",""
"7227375","19.7594","0.0013","6.1759","0.0003","21.556","0.0015","90","","109.627","0.007","90","","2477.7","0.3","298","2","298","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","Glibenclamidesodium salt","5-chloro-N-(4-[N-(cyclohexylcarbamoyl)sulfamoyl]phenethyl)-2-methoxybenzamide-sodium","","- C23 H27 Cl N3 Na O5 S -","- C23 H27 Cl N3 Na O5 S -","- C92 H108 Cl4 N12 Na4 O20 S4 -","4","1","","Suresh, Kuthuru; Khandavilli, U. B. Rao; Gunnam, Anilkumar; Nangia, Ashwini","Polymorphism, isostructurality and physicochemical properties of glibenclamide salts","CrystEngComm","2017","19","6","918","","10.1039/C6CE02295B","","","0.71073","MoKα","","0.1174","0.0834","","","0.2207","0.2495","","","","","","1.041","","","","has coordinates","193758","2020-10-21","18:00:00",""
"7227376","6.4396","0.0012","9.0583","0.0018","13.442","0.003","89.677","0.004","85.919","0.004","89.345","0.003","782","0.3","296","2","296","2","","","","","","","","6","P -1","-P 1","2","","","","- C22 H30 Cu N2 O24 Sm2 -","- C22 H30 Cu N2 O24 Sm2 -","- C22 H30 Cu N2 O24 Sm2 -","1","0.5","","Zhang, Ju-Wen; Li, Xiao-Li; Kan, Xiao-Min; Wu, Hao; Liu, Ying; Liu, Bin-Qiu","Syntheses, structures, and magnetic properties of two series of copper-lanthanide heterometallic coordination polymers based on pyridine-2,3-dicarboxylic acid and succinic acid","CrystEngComm","2017","19","4","661","","10.1039/C6CE02353C","","","0.71073","MoKα","","0.0435","0.036","","","0.0789","0.0816","","","","","","1.07","","","","has coordinates","191559","2020-10-21","18:00:00",""
"7227377","6.4157","0.0009","9.0257","0.0013","13.4267","0.0019","89.703","0.003","85.968","0.003","89.342","0.002","775.51","0.19","296","2","296","2","","","","","","","","6","P -1","-P 1","2","","","","- C22 H30 Cu Eu2 N2 O24 -","- C22 H30 Cu Eu2 N2 O24 -","- C22 H30 Cu Eu2 N2 O24 -","1","0.5","","Zhang, Ju-Wen; Li, Xiao-Li; Kan, Xiao-Min; Wu, Hao; Liu, Ying; Liu, Bin-Qiu","Syntheses, structures, and magnetic properties of two series of copper-lanthanide heterometallic coordination polymers based on pyridine-2,3-dicarboxylic acid and succinic acid","CrystEngComm","2017","19","4","661","","10.1039/C6CE02353C","","","0.71073","MoKα","","0.0427","0.0325","","","0.0667","0.0706","","","","","","1.022","","","","has coordinates","191559","2020-10-21","18:00:00",""
"7227378","6.4331","0.0006","9.0449","0.0008","13.4358","0.0012","89.788","0.002","85.905","0.002","89.405","0.002","779.74","0.12","296","2","296","2","","","","","","","","6","P -1","-P 1","2","","","","- C22 H30 Cu Gd2 N2 O24 -","- C22 H30 Cu Gd2 N2 O24 -","- C22 H30 Cu Gd2 N2 O24 -","1","0.5","","Zhang, Ju-Wen; Li, Xiao-Li; Kan, Xiao-Min; Wu, Hao; Liu, Ying; Liu, Bin-Qiu","Syntheses, structures, and magnetic properties of two series of copper-lanthanide heterometallic coordination polymers based on pyridine-2,3-dicarboxylic acid and succinic acid","CrystEngComm","2017","19","4","661","","10.1039/C6CE02353C","","","0.71073","MoKα","","0.0367","0.0307","","","0.0714","0.0739","","","","","","1.045","","","","has coordinates","191559","2020-10-21","18:00:00",""
"7227379","6.3914","0.0005","8.9902","0.0007","13.4028","0.001","89.716","0.002","85.997","0.002","89.332","0.002","768.19","0.1","296","2","296","2","","","","","","","","6","P -1","-P 1","2","","","","- C22 H30 Cu N2 O24 Tb2 -","- C22 H30 Cu N2 O24 Tb2 -","- C22 H30 Cu N2 O24 Tb2 -","1","0.5","","Zhang, Ju-Wen; Li, Xiao-Li; Kan, Xiao-Min; Wu, Hao; Liu, Ying; Liu, Bin-Qiu","Syntheses, structures, and magnetic properties of two series of copper-lanthanide heterometallic coordination polymers based on pyridine-2,3-dicarboxylic acid and succinic acid","CrystEngComm","2017","19","4","661","","10.1039/C6CE02353C","","","0.71073","MoKα","","0.0287","0.0248","","","0.0535","0.0549","","","","","","1.018","","","","has coordinates","191559","2020-10-21","18:00:00",""
"7227380","6.3769","0.0005","8.9671","0.0007","13.3816","0.001","89.736","0.001","85.988","0.001","89.368","0.001","763.26","0.1","296","2","296","2","","","","","","","","6","P -1","-P 1","2","","","","- C22 H30 Cu Dy2 N2 O24 -","- C22 H30 Cu Dy2 N2 O24 -","- C22 H30 Cu Dy2 N2 O24 -","1","0.5","","Zhang, Ju-Wen; Li, Xiao-Li; Kan, Xiao-Min; Wu, Hao; Liu, Ying; Liu, Bin-Qiu","Syntheses, structures, and magnetic properties of two series of copper-lanthanide heterometallic coordination polymers based on pyridine-2,3-dicarboxylic acid and succinic acid","CrystEngComm","2017","19","4","661","","10.1039/C6CE02353C","","","0.71073","MoKα","","0.0254","0.021","","","0.0452","0.0467","","","","","","1.046","","","","has coordinates","191559","2020-10-21","18:00:00",""
"7227381","6.3612","0.0004","8.9542","0.0005","13.3901","0.0008","89.708","0.001","86.066","0.001","89.343","0.001","760.84","0.08","296","2","296","2","","","","","","","","6","P -1","-P 1","2","","","","- C22 H30 Cu Er2 N2 O24 -","- C22 H30 Cu Er2 N2 O24 -","- C22 H30 Cu Er2 N2 O24 -","1","0.5","","Zhang, Ju-Wen; Li, Xiao-Li; Kan, Xiao-Min; Wu, Hao; Liu, Ying; Liu, Bin-Qiu","Syntheses, structures, and magnetic properties of two series of copper-lanthanide heterometallic coordination polymers based on pyridine-2,3-dicarboxylic acid and succinic acid","CrystEngComm","2017","19","4","661","","10.1039/C6CE02353C","","","0.71073","MoKα","","0.0238","0.021","","","0.0459","0.0468","","","","","","1.029","","","","has coordinates","191559","2020-10-21","18:00:00",""
"7227382","6.5822","0.0004","8.0601","0.0005","13.0454","0.0008","102.873","0.001","91.157","0.001","101.766","0.001","658.97","0.07","296","2","296","2","","","","","","","","6","P -1","-P 1","2","","","","- C22 H18 Cu Er2 N2 O18 -","- C22 H18 Cu Er2 N2 O18 -","- C22 H18 Cu Er2 N2 O18 -","1","0.5","","Zhang, Ju-Wen; Li, Xiao-Li; Kan, Xiao-Min; Wu, Hao; Liu, Ying; Liu, Bin-Qiu","Syntheses, structures, and magnetic properties of two series of copper-lanthanide heterometallic coordination polymers based on pyridine-2,3-dicarboxylic acid and succinic acid","CrystEngComm","2017","19","4","661","","10.1039/C6CE02353C","","","0.71073","MoKα","","0.0271","0.0236","","","0.0506","0.0519","","","","","","1.056","","","","has coordinates","191559","2020-10-21","18:00:00",""
"7227383","6.5746","0.0005","8.0495","0.0006","13.0264","0.0009","102.932","0.001","91.116","0.001","101.825","0.001","656.1","0.08","296","2","296","2","","","","","","","","6","P -1","-P 1","2","","","","- C22 H18 Cu N2 O18 Yb2 -","- C22 H18 Cu N2 O18 Yb2 -","- C22 H18 Cu N2 O18 Yb2 -","1","0.5","","Zhang, Ju-Wen; Li, Xiao-Li; Kan, Xiao-Min; Wu, Hao; Liu, Ying; Liu, Bin-Qiu","Syntheses, structures, and magnetic properties of two series of copper-lanthanide heterometallic coordination polymers based on pyridine-2,3-dicarboxylic acid and succinic acid","CrystEngComm","2017","19","4","661","","10.1039/C6CE02353C","","","0.71073","MoKα","","0.0266","0.0239","","","0.0617","0.0631","","","","","","0.996","","","","has coordinates","191559","2020-10-21","18:00:00",""
"7227384","6.5663","0.0004","8.0384","0.0005","13.0187","0.0008","102.924","0.001","91.179","0.001","101.852","0.001","653.88","0.07","296","2","296","2","","","","","","","","6","P -1","-P 1","2","","","","- C22 H18 Cu Lu2 N2 O18 -","- C22 H18 Cu Lu2 N2 O18 -","- C22 H18 Cu Lu2 N2 O18 -","1","0.5","","Zhang, Ju-Wen; Li, Xiao-Li; Kan, Xiao-Min; Wu, Hao; Liu, Ying; Liu, Bin-Qiu","Syntheses, structures, and magnetic properties of two series of copper-lanthanide heterometallic coordination polymers based on pyridine-2,3-dicarboxylic acid and succinic acid","CrystEngComm","2017","19","4","661","","10.1039/C6CE02353C","","","0.71073","MoKα","","0.0236","0.02","","","0.0431","0.0443","","","","","","1.037","","","","has coordinates","191559","2020-10-21","18:00:00",""
"7227385","9.008","0.0004","15.383","0.0006","15.627","0.0006","90","","90","","90","","2165.43","0.15","293","2","293","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","7,7'-(Naphthalene-1,8-diyl)bis(4-methylcoumarin)","","- C30 H20 O4 -","- C30 H20 O4 -","- C120 H80 O16 -","4","1","","Mukhopadhyay, Arindam; Maka, Vijay Kumar; Moorthy, Jarugu Narasimha","Remarkable influence of 'phane effect' on the excited-state properties of cofacially oriented coumarins.","Physical chemistry chemical physics : PCCP","2017","19","6","4758","4767","10.1039/c6cp07720j","","","0.71073","MoKα","","0.1288","0.058","","","0.0947","0.1123","","","","","","1.015","","","","has coordinates","193911","2020-10-21","18:00:00",""
"7227386","11.798","0.005","12.109","0.005","12.211","0.005","95.007","0.005","102.009","0.005","110.256","0.005","1576.5","1.1","100","2","100","2","","","","","","","","3","P -1","-P 1","2","","7-(2,3,5,6-Tetramethylphenyl)-4-methylcoumarin","","- C20 H20 O2 -","- C20 H20 O2 -","- C80 H80 O8 -","4","2","","Mukhopadhyay, Arindam; Maka, Vijay Kumar; Moorthy, Jarugu Narasimha","Remarkable influence of 'phane effect' on the excited-state properties of cofacially oriented coumarins.","Physical chemistry chemical physics : PCCP","2017","19","6","4758","4767","10.1039/c6cp07720j","","","0.71073","MoKα","","0.1462","0.0834","","","0.218","0.2558","","","","","","0.975","","","","has coordinates","193911","2020-10-21","18:00:00",""
"7227387","15.247","0.0004","5.005","0.0001","10.4052","0.0003","90","","131.936","0.001","90","","590.68","0.03","293","","293","","","","","","","","","4","C 1 2 1","C 2y","5","lithium tartrate; dilithium tartrate","Lithium l-tartrate","","- C4 H4 Li2 O6 -","- C4 H4 Li2 O6 -","- C16 H16 Li8 O24 -","4","1","","Yeung, Hamish H.-M.; Kilmurray, Rebecca; Hobday, Claire L.; McKellar, Scott C.; Cheetham, Anthony K.; Allan, David R.; Moggach, Stephen A.","Hidden negative linear compressibility in lithium l-tartrate.","Physical chemistry chemical physics : PCCP","2017","19","5","3544","3549","10.1039/c6cp08690j","","","0.71073","MoKα","","0.026","0.0247","","0.0678","0.0654","0.0678","","","","","","0.9705","","","","has coordinates","191764","2020-10-21","18:00:00",""
"7227388","15.075","0.003","4.9857","0.0015","10.382","0.004","90","","131.84","0.02","90","","581.3","0.4","293","","293","","","","680000","","","","","4","C 1 2 1","C 2y","5","Lithium tartrate; dilithium tartrate","Lithium l-tartrate","","- C4 H2 Li2 O6 -","- C4 H2 Li2 O6 -","- C16 H8 Li8 O24 -","4","1","","Yeung, Hamish H.-M.; Kilmurray, Rebecca; Hobday, Claire L.; McKellar, Scott C.; Cheetham, Anthony K.; Allan, David R.; Moggach, Stephen A.","Hidden negative linear compressibility in lithium l-tartrate.","Physical chemistry chemical physics : PCCP","2017","19","5","3544","3549","10.1039/c6cp08690j","","x-ray","0.71073","MoKα","","0.1202","0.118","","0.2333","0.223","0.2333","","","","","","0.9262","","","","has coordinates","191764","2020-10-21","18:00:00",""
"7227389","14.342","0.013","4.8946","0.0011","10.487","0.014","90","","133.01","0.03","90","","538.3","0.9","293","","293","","","","3430000","","","","","4","C 1 2 1","C 2y","5","Lithium tartrate; dilithium tartrate","Lithium l-tartrate","","- C4 H4 Li2 O6 -","- C4 H4 Li2 O6 -","- C16 H16 Li8 O24 -","4","1","","Yeung, Hamish H.-M.; Kilmurray, Rebecca; Hobday, Claire L.; McKellar, Scott C.; Cheetham, Anthony K.; Allan, David R.; Moggach, Stephen A.","Hidden negative linear compressibility in lithium l-tartrate.","Physical chemistry chemical physics : PCCP","2017","19","5","3544","3549","10.1039/c6cp08690j","","x-ray","0.4859","","","0.0622","0.0607","","0.168","0.1641","0.168","","","","","","0.9991","","","","has coordinates","191764","2020-10-21","18:00:00",""
"7227390","14.84","0.03","4.98","0.012","10.36","0.04","90","","131.64","0.15","90","","572","3","293","","293","","","","","","","","","4","C 1 2 1","C 2y","5","Lithium tartrate; dilithium tartrate","Lithium l-tartrate","","- C4 H2 Li2 O6 -","- C4 H2 Li2 O6 -","- C16 H8 Li8 O24 -","4","1","","Yeung, Hamish H.-M.; Kilmurray, Rebecca; Hobday, Claire L.; McKellar, Scott C.; Cheetham, Anthony K.; Allan, David R.; Moggach, Stephen A.","Hidden negative linear compressibility in lithium l-tartrate.","Physical chemistry chemical physics : PCCP","2017","19","5","3544","3549","10.1039/c6cp08690j","","","0.71073","MoKα","","0.0712","0.0679","","0.1797","0.1683","0.1797","","","","","","1.0302","","","","has coordinates","191764","2020-10-21","18:00:00",""
"7227391","14.168","0.008","4.8351","0.0006","10.715","0.008","90","","134.825","0.018","90","","520.6","0.5","293","","293","","","","4410000","","","","","4","C 1 2 1","C 2y","5","Lithium tartrate; dilithium tartrate","Lithium l-tartrate","","- C4 H4 Li2 O6 -","- C4 H4 Li2 O6 -","- C16 H16 Li8 O24 -","4","1","","Yeung, Hamish H.-M.; Kilmurray, Rebecca; Hobday, Claire L.; McKellar, Scott C.; Cheetham, Anthony K.; Allan, David R.; Moggach, Stephen A.","Hidden negative linear compressibility in lithium l-tartrate.","Physical chemistry chemical physics : PCCP","2017","19","5","3544","3549","10.1039/c6cp08690j","","x-ray","0.4859","","","0.0643","0.0566","","0.179","0.1495","0.179","","","","","","1.0688","","","","has coordinates","191764","2020-10-21","18:00:00",""
"7227392","14.095","0.008","4.8107","0.0005","10.788","0.008","90","","135.458","0.018","90","","513.1","0.5","293","","293","","","","4820000","","","","","4","C 1 2 1","C 2y","5","Lithium tartrate; dilithium tartrate","Lithium l-tartrate","","- C4 H4 Li2 O6 -","- C4 H4 Li2 O6 -","- C16 H16 Li8 O24 -","4","1","","Yeung, Hamish H.-M.; Kilmurray, Rebecca; Hobday, Claire L.; McKellar, Scott C.; Cheetham, Anthony K.; Allan, David R.; Moggach, Stephen A.","Hidden negative linear compressibility in lithium l-tartrate.","Physical chemistry chemical physics : PCCP","2017","19","5","3544","3549","10.1039/c6cp08690j","","x-ray","0.4859","","","0.0455","0.0447","","0.1463","0.1417","0.1463","","","","","","0.9874","","","","has coordinates","191764","2020-10-21","18:00:00",""
"7227393","14.639","0.007","4.9393","0.0005","10.379","0.007","90","","132.027","0.013","90","","557.5","0.5","293","","293","","","","2290000","","","","","4","C 1 2 1","C 2y","5","Lithium tartrate; dilithium tartrate","Lithium l-tartrate","","- C4 H4 Li2 O6 -","- C4 H4 Li2 O6 -","- C16 H16 Li8 O24 -","4","1","","Yeung, Hamish H.-M.; Kilmurray, Rebecca; Hobday, Claire L.; McKellar, Scott C.; Cheetham, Anthony K.; Allan, David R.; Moggach, Stephen A.","Hidden negative linear compressibility in lithium l-tartrate.","Physical chemistry chemical physics : PCCP","2017","19","5","3544","3549","10.1039/c6cp08690j","","x-ray","0.4859","","","0.0476","0.0465","","0.1218","0.1203","0.1218","","","","","","1.006","","","","has coordinates","191764","2020-10-21","18:00:00",""
"7227394","15.181","0.002","4.9938","0.0002","10.405","0.002","90","","131.943","0.006","90","","586.73","0.15","293","","293","","","","137000","","","","","4","C 1 2 1","C 2y","5","Lithium tartrate; dilithium tartrate","Lithium l-tartraate","","- C4 H2 Li2 O6 -","- C4 H2 Li2 O6 -","- C16 H8 Li8 O24 -","4","1","","Yeung, Hamish H.-M.; Kilmurray, Rebecca; Hobday, Claire L.; McKellar, Scott C.; Cheetham, Anthony K.; Allan, David R.; Moggach, Stephen A.","Hidden negative linear compressibility in lithium l-tartrate.","Physical chemistry chemical physics : PCCP","2017","19","5","3544","3549","10.1039/c6cp08690j","","x-ray","0.71073","MoKα","","0.057","0.056","","0.1808","0.1781","0.1808","","","","","","1.0972","","","","has coordinates","191764","2020-10-21","18:00:00",""
"7227395","14.477","0.006","4.9154","0.0005","10.425","0.007","90","","132.46","0.013","90","","547.3","0.5","293","","293","","","","2950000","","","","","4","C 1 2 1","C 2y","5","Lithium tartrate; dilithium tartrate","Lithium l-tartrate","","- C4 H4 Li2 O6 -","- C4 H4 Li2 O6 -","- C16 H16 Li8 O24 -","4","1","","Yeung, Hamish H.-M.; Kilmurray, Rebecca; Hobday, Claire L.; McKellar, Scott C.; Cheetham, Anthony K.; Allan, David R.; Moggach, Stephen A.","Hidden negative linear compressibility in lithium l-tartrate.","Physical chemistry chemical physics : PCCP","2017","19","5","3544","3549","10.1039/c6cp08690j","","x-ray","0.4859","","","0.0578","0.0548","","0.1501","0.1456","0.1501","","","","","","1.0222","","","","has coordinates","191764","2020-10-21","18:00:00",""
"7227396","14.024","0.008","4.789","0.0006","10.837","0.008","90","","135.927","0.019","90","","506.3","0.5","293","","293","","","","5520000","","","","","4","C 1 2 1","C 2y","5","Lithium tartrate; dilithium tartrate","Lithium l-tartrate","","- C4 H4 Li2 O6 -","- C4 H4 Li2 O6 -","- C16 H16 Li8 O24 -","4","1","","Yeung, Hamish H.-M.; Kilmurray, Rebecca; Hobday, Claire L.; McKellar, Scott C.; Cheetham, Anthony K.; Allan, David R.; Moggach, Stephen A.","Hidden negative linear compressibility in lithium l-tartrate.","Physical chemistry chemical physics : PCCP","2017","19","5","3544","3549","10.1039/c6cp08690j","","x-ray","0.4859","","","0.0646","0.0534","","0.1876","0.1597","0.1876","","","","","","0.9326","","","","has coordinates","191764","2020-10-21","18:00:00",""
"7227397","14.67","0.02","4.946","0.003","10.365","0.011","90","","131.97","0.05","90","","559.2","1.1","293","","293","","","","2010000","","","","","4","C 1 2 1","C 2y","5","Lithium tartrate; dilithium tartrate","Lithium l-tartrate","","- C4 H4 Li2 O6 -","- C4 H4 Li2 O6 -","- C16 H16 Li8 O24 -","4","1","","Yeung, Hamish H.-M.; Kilmurray, Rebecca; Hobday, Claire L.; McKellar, Scott C.; Cheetham, Anthony K.; Allan, David R.; Moggach, Stephen A.","Hidden negative linear compressibility in lithium l-tartrate.","Physical chemistry chemical physics : PCCP","2017","19","5","3544","3549","10.1039/c6cp08690j","","x-ray","0.4859","","","0.0507","0.0491","","0.1348","0.1328","0.1348","","","","","","1.0045","","","","has coordinates","191764","2020-10-21","18:00:00",""
"7227398","14.231","0.009","4.856","0.0006","10.642","0.009","90","","134.235","0.018","90","","526.9","0.6","293","","293","","","","4030000","","","","","4","C 1 2 1","C 2y","5","Lithium tartrate; dilithium tartrate","Lithium l-tartrate","","- C4 H4 Li2 O6 -","- C4 H4 Li2 O6 -","- C16 H16 Li8 O24 -","4","1","","Yeung, Hamish H.-M.; Kilmurray, Rebecca; Hobday, Claire L.; McKellar, Scott C.; Cheetham, Anthony K.; Allan, David R.; Moggach, Stephen A.","Hidden negative linear compressibility in lithium l-tartrate.","Physical chemistry chemical physics : PCCP","2017","19","5","3544","3549","10.1039/c6cp08690j","","x-ray","0.4859","","","0.0534","0.052","","0.1377","0.1355","0.1377","","","","","","0.9881","","","","has coordinates","191764","2020-10-21","18:00:00",""
"7227399","14.126","0.008","4.8218","0.0006","10.753","0.008","90","","135.162","0.018","90","","516.4","0.5","293","","293","","","","4660000","","","","","4","C 1 2 1","C 2y","5","Lithium tartrate; dilithium tartrate","Lithium l-tartrate","","- C4 H4 Li2 O6 -","- C4 H4 Li2 O6 -","- C16 H16 Li8 O24 -","4","1","","Yeung, Hamish H.-M.; Kilmurray, Rebecca; Hobday, Claire L.; McKellar, Scott C.; Cheetham, Anthony K.; Allan, David R.; Moggach, Stephen A.","Hidden negative linear compressibility in lithium l-tartrate.","Physical chemistry chemical physics : PCCP","2017","19","5","3544","3549","10.1039/c6cp08690j","","x-ray","0.4859","","","0.0463","0.0447","","0.1128","0.1104","0.1128","","","","","","0.9913","","","","has coordinates","191764","2020-10-21","18:00:00",""
"7227400","10.5437","0.0003","10.6658","0.0004","11.1228","0.0004","86.656","0.003","71.241","0.003","82.672","0.003","1174.52","0.07","150","2","150","2","","","","","","","","5","P -1","-P 1","2","","","","- C24 H30 N3 O5 P -","- C24 H30 N3 O5 P -","- C48 H60 N6 O10 P2 -","2","1","","Sharma, Kamna; Kalita, Alok Ch.; Murugavel, Ramaswamy","Five different pseudo-polymorphs of 4-aminoarylphosphate: supramolecular aggregation in organophosphates","CrystEngComm","2017","19","7","1058","","10.1039/C6CE02215D","","","0.71073","MoKα","","0.0833","0.0751","","","0.1925","0.2047","","","","","","1.042","","","","has coordinates","193767","2020-10-21","18:00:00",""
"7227401","8.9355","0.0003","9.377","0.0003","9.3907","0.0002","93.415","0.002","92.982","0.002","103.905","0.003","760.63","0.04","150","2","150","2","","","","","","","","5","P -1","-P 1","2","","","","- C13 H20 N O6 P -","- C13 H20 N O6 P -","- C26 H40 N2 O12 P2 -","2","1","","Sharma, Kamna; Kalita, Alok Ch.; Murugavel, Ramaswamy","Five different pseudo-polymorphs of 4-aminoarylphosphate: supramolecular aggregation in organophosphates","CrystEngComm","2017","19","7","1058","","10.1039/C6CE02215D","","","0.71073","MoKα","","0.0332","0.0318","","","0.087","0.0882","","","","","","1.051","","","","has coordinates","193767","2020-10-21","18:00:00",""
"7227402","14.0712","0.0003","7.6213","0.0002","15.6474","0.0004","90","","109.97","0.002","90","","1577.14","0.07","150","2","150","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C13 H22 N O7 P -","- C13 H22 N O7 P -","- C52 H88 N4 O28 P4 -","4","1","","Sharma, Kamna; Kalita, Alok Ch.; Murugavel, Ramaswamy","Five different pseudo-polymorphs of 4-aminoarylphosphate: supramolecular aggregation in organophosphates","CrystEngComm","2017","19","7","1058","","10.1039/C6CE02215D","","","1.54184","CuKα","","0.04","0.037","","","0.0985","0.1006","","","","","","1.057","","","","has coordinates","193767","2020-10-21","18:00:00",""
"7227403","10.145","0.003","10.145","0.003","31.351","0.011","90","","90","","90","","3226.7","1.8","150","2","150","2","","","","","","","","5","P 43 21 2","P 4nw 2abw","96","","","","- C14 H22 N O5 P -","- C14 H22 N O5 P -","- C112 H176 N8 O40 P8 -","8","1","","Sharma, Kamna; Kalita, Alok Ch.; Murugavel, Ramaswamy","Five different pseudo-polymorphs of 4-aminoarylphosphate: supramolecular aggregation in organophosphates","CrystEngComm","2017","19","7","1058","","10.1039/C6CE02215D","","","0.71075","MoKα","","0.0613","0.0548","","","0.1045","0.1077","","","","","","1.087","","","","has coordinates","193767","2020-10-21","18:00:00",""
"7227404","13.2233","0.0004","13.8858","0.0006","14.518","0.0009","84.034","0.004","80.465","0.004","80.694","0.003","2586.1","0.2","150","2","150","2","","","","","","","","7","P -1","-P 1","2","","","","- C37 H63 F3 N3 O16 P3 S -","- C37 H63 F3 N3 O16 P3 S -","- C74 H126 F6 N6 O32 P6 S2 -","2","1","","Sharma, Kamna; Kalita, Alok Ch.; Murugavel, Ramaswamy","Five different pseudo-polymorphs of 4-aminoarylphosphate: supramolecular aggregation in organophosphates","CrystEngComm","2017","19","7","1058","","10.1039/C6CE02215D","","","0.71073","MoKα","","0.0719","0.0554","","","0.1399","0.1515","","","","","","1.017","","","","has coordinates,has disorder","193767","2020-10-21","18:00:00",""
"7227405","18.824","0.011","34.1","0.02","16.321","0.011","90","","91.078","0.011","90","","10475","11","150","2","150","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C36 H62 N3 O13 P3 -","- C36 H62 N3 O13 P3 -","- C288 H496 N24 O104 P24 -","8","1","","Sharma, Kamna; Kalita, Alok Ch.; Murugavel, Ramaswamy","Five different pseudo-polymorphs of 4-aminoarylphosphate: supramolecular aggregation in organophosphates","CrystEngComm","2017","19","7","1058","","10.1039/C6CE02215D","","","0.71075","MoKα","","0.1222","0.0912","","","0.2416","0.271","","","","","","1.1","","","","has coordinates,has disorder","193767","2020-10-21","18:00:00",""
"7227406","8.163","0.0008","21.2184","0.0019","11.3124","0.001","90","","102.267","0.009","90","","1914.6","0.3","150","2","150","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C15 H28 N O5 P S -","- C15 H28 N O5 P S -","- C60 H112 N4 O20 P4 S4 -","4","1","","Sharma, Kamna; Kalita, Alok Ch.; Murugavel, Ramaswamy","Five different pseudo-polymorphs of 4-aminoarylphosphate: supramolecular aggregation in organophosphates","CrystEngComm","2017","19","7","1058","","10.1039/C6CE02215D","","","0.71073","MoKα","","0.1457","0.0881","","","0.1893","0.2271","","","","","","1.04","","","","has coordinates","193767","2020-10-21","18:00:00",""
"7227407","11.778","0.003","14.601","0.004","16.488","0.004","90","","103.452","0.004","90","","2757.7","1.2","150","2","150","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C12 H21 N O4.5 P -","- C12 H21 N O4.5 P -","- C96 H168 N8 O36 P8 -","8","2","","Sharma, Kamna; Kalita, Alok Ch.; Murugavel, Ramaswamy","Five different pseudo-polymorphs of 4-aminoarylphosphate: supramolecular aggregation in organophosphates","CrystEngComm","2017","19","7","1058","","10.1039/C6CE02215D","","","0.71075","MoKα","","0.0361","0.0323","","","0.0811","0.0837","","","","","","1.085","","","","has coordinates","203412","2020-10-21","18:00:00",""
"7227408","8.455","0.0017","13.485","0.003","14.017","0.003","115.54","0.03","95.02","0.03","94.99","0.03","1422.6","0.7","153.15","","153.15","","","","","","","","","5","P -1","-P 1","2","","","","- C50 H64 N8 O22 Zn4 -","- C50 H64 N8 O22 Zn4 -","- C50 H64 N8 O22 Zn4 -","1","0.5","","Xu, Guohong; Tang, Bei-bei; Hao, Liang; Liu, Gui-lei; Li, Hui","Ligand-dependent assembly of dinuclear, linear tetranuclear and one-dimensional Zn(ii) complexes with an aroylhydrazone Schiff base","CrystEngComm","2017","19","5","781","","10.1039/C6CE02292H","","","0.71073","MoKα","","0.0429","0.0325","","","0.0755","0.0804","","","","","","1.027","","","","has coordinates","191567","2020-10-21","18:00:00",""
"7227409","8.874","0.0018","9.5171","0.0018","11.986","0.002","84.921","0.003","85.114","0.004","74.714","0.004","970.6","0.3","296","2","296","2","","","","","","","","5","P -1","-P 1","2","","","","- C33 H30 N6 O15 Zn2 -","- C33 H30 N6 O15 Zn2 -","- C33 H30 N6 O15 Zn2 -","1","0.5","","Xu, Guohong; Tang, Bei-bei; Hao, Liang; Liu, Gui-lei; Li, Hui","Ligand-dependent assembly of dinuclear, linear tetranuclear and one-dimensional Zn(ii) complexes with an aroylhydrazone Schiff base","CrystEngComm","2017","19","5","781","","10.1039/C6CE02292H","","","0.71073","MoKα","","0.1381","0.0845","","","0.2257","0.3312","","","","","","1.171","","","","has coordinates","191567","2020-10-21","18:00:00",""
"7227410","38.142","0.008","11.411","0.002","29.647","0.006","90","","129.94","0.03","90","","9893","5","153.15","","153.15","","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C42 H44 N6 O21 S Zn4 -","- C42 H44 N6 O21 S Zn4 -","- C336 H352 N48 O168 S8 Zn32 -","8","1","","Xu, Guohong; Tang, Bei-bei; Hao, Liang; Liu, Gui-lei; Li, Hui","Ligand-dependent assembly of dinuclear, linear tetranuclear and one-dimensional Zn(ii) complexes with an aroylhydrazone Schiff base","CrystEngComm","2017","19","5","781","","10.1039/C6CE02292H","","","0.71073","MoKα","","0.0931","0.073","","","0.2008","0.2215","","","","","","1.061","","","","has coordinates","191567","2020-10-21","18:00:00",""
"7227411","7.82","0.004","18.768","0.009","25.836","0.012","80.419","0.016","82.135","0.019","83.58","0.03","3688","3","150","","150","","","","","","","","","8","P -1","-P 1","2","","","","- C127 H105 Ag4 B4 F16 N19 O10 S8 -","- C127 H105 Ag4 B4 F16 N19 O10 S8 -","- C127 H105 Ag4 B4 F16 N19 O10 S8 -","1","0.5","","Bullock, Samantha J.; Davidson, Francesca S.; Faulkner, Robert A.; Parkes, Gareth M. B.; Rice, Craig R.; Towns-Andrews, Liz","Control of metallo-supramolecular assemblies via steric, hydrogen bonding and argentophilic interactions; formation of a 3-dimensional polymer of circular helicates","CrystEngComm","2017","19","9","1273","","10.1039/C6CE02589G","","","0.71073","MoKα","","0.0961","0.0588","","","0.1467","0.164","","","","","","1.0362","","","","has coordinates,has disorder","193771","2020-10-21","18:00:00",""
"7227412","26.047","0.0011","26.047","0.0011","41.751","0.002","90","","90","","120","","24530.9","1.9","150","2","150","","","","","","","","","8","R -3 c","-R 3 2""c","167","","","","- C144 H108 Ag6 B5 F20 N24 O6 S12 -","- C144 H108 Ag6 B5 F20 N24 O6 S12 -","- C864 H648 Ag36 B30 F120 N144 O36 S72 -","6","","","Bullock, Samantha J.; Davidson, Francesca S.; Faulkner, Robert A.; Parkes, Gareth M. B.; Rice, Craig R.; Towns-Andrews, Liz","Control of metallo-supramolecular assemblies via steric, hydrogen bonding and argentophilic interactions; formation of a 3-dimensional polymer of circular helicates","CrystEngComm","2017","19","9","1273","","10.1039/C6CE02589G","","","0.71073","MoKα","","0.0983","0.0547","","","0.1432","0.1697","","","","","","1.0586","","","","has coordinates","193771","2020-10-21","18:00:00",""
"7227413","7.5797","0.0002","10.6965","0.0003","17.3538","0.0005","103.551","0.001","101.676","0.001","90.482","0.001","1337.2","0.06","150","2","150","2","","","","","","","","7","P -1","-P 1","2","","","","- C48 H34 Ag2 Cl8 N8 O10 S4 -","- C48 H34 Ag2 Cl8 N8 O10 S4 -","- C48 H34 Ag2 Cl8 N8 O10 S4 -","1","0.5","","Bullock, Samantha J.; Davidson, Francesca S.; Faulkner, Robert A.; Parkes, Gareth M. B.; Rice, Craig R.; Towns-Andrews, Liz","Control of metallo-supramolecular assemblies via steric, hydrogen bonding and argentophilic interactions; formation of a 3-dimensional polymer of circular helicates","CrystEngComm","2017","19","9","1273","","10.1039/C6CE02589G","","","0.71073","MoKα","","0.0705","0.0492","","","0.1297","0.1424","","","","","","1.068","","","","has coordinates","193771","2020-10-21","18:00:00",""
"7227414","4.8755","0.0014","5.9345","0.0018","7.808","0.002","90","","99.205","0.003","90","","223","0.11","100","2","100","2","","","","","","","","4","P 1 21/m 1","-P 2yb","11","","","","- C2 H4 N2 O3 -","- C2 H4 N2 O3 -","- C4 H8 N4 O6 -","2","0.5","","Chua, Zhijie; Rosadiuk, Kris; Perepichka, Inna; Bohle, Scott","Lewis Acid stabilization and Activation of Primary N-Nitrosamides","RSC Adv.","2017","","","","","10.1039/C6RA24421A","","","0.71073","MoKα","","0.0589","0.0471","","","0.122","0.1301","","","","","","1.149","","","","has coordinates","190378","2020-10-21","18:00:00",""
"7227415","4.7863","0.0015","6.0338","0.0019","9.375","0.003","90","","99.945","0.003","90","","266.68","0.15","100","2","100","2","","","","","","","","4","P 1 21/m 1","-P 2yb","11","","","","- C3 H6 N2 O3 -","- C3 H6 N2 O3 -","- C6 H12 N4 O6 -","2","0.5","","Chua, Zhijie; Rosadiuk, Kris; Perepichka, Inna; Bohle, Scott","Lewis Acid stabilization and Activation of Primary N-Nitrosamides","RSC Adv.","2017","","","","","10.1039/C6RA24421A","","","0.71073","MoKα","","0.0526","0.0364","","","0.0868","0.0919","","","","","","1.1","","","","has coordinates,has disorder","190378","2020-10-21","18:00:00",""
"7227416","5.8792","0.0007","6.8542","0.0008","12.8207","0.0014","90","","90","","90","","516.64","0.1","100","2","100","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C2 H3 K N2 O3 -","- C2 H3 K N2 O3 -","- C8 H12 K4 N8 O12 -","4","1","","Chua, Zhijie; Rosadiuk, Kris; Perepichka, Inna; Bohle, Scott","Lewis Acid stabilization and Activation of Primary N-Nitrosamides","RSC Adv.","2017","","","","","10.1039/C6RA24421A","","","0.71073","MoKα","","0.0222","0.0215","","","0.0537","0.0539","","","","","","1.14","","","","has coordinates","190378","2020-10-21","18:00:00",""
"7227417","44.728","0.003","44.728","0.003","12.044","0.0009","90","","90","","120","","20867","3","100","2","100","2","","","","","","","","6","R -3 :H","-R 3","148","","","","- C40 H33 N2 O5 P2 Re -","- C40 H33 N2 O5 P2 Re -","- C720 H594 N36 O90 P36 Re18 -","18","1","","Chua, Zhijie; Rosadiuk, Kris; Perepichka, Inna; Bohle, Scott","Lewis Acid stabilization and Activation of Primary N-Nitrosamides","RSC Adv.","2017","","","","","10.1039/C6RA24421A","","","0.71073","MoKα","","0.0707","0.0465","","","0.103","0.111","","","","","","1.072","","","","has coordinates,has disorder","190378","2020-10-21","18:00:00",""
"7227418","11.1714","0.0007","46.877","0.003","17.9886","0.0008","90","","128.081","0.003","90","","7415.1","0.8","100","2","100","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C81 H68 Cl2 N4 O10 P4 Re2 -","- C81 H68 Cl2 N4 O10 P4 Re2 -","- C324 H272 Cl8 N16 O40 P16 Re8 -","4","1","","Chua, Zhijie; Rosadiuk, Kris; Perepichka, Inna; Bohle, Scott","Lewis Acid stabilization and Activation of Primary N-Nitrosamides","RSC Adv.","2017","","","","","10.1039/C6RA24421A","","","0.71073","MoKα","","0.0811","0.0541","","","0.1131","0.1234","","","","","","1.066","","","","has coordinates,has disorder","190378","2020-10-21","18:00:00",""
"7227419","11.2939","0.001","22.8887","0.0019","17.8433","0.0011","90","","128.455","0.004","90","","3612.1","0.5","100","2","100","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C41 H35 N2 O5 P2 Re -","- C41 H35 N2 O5 P2 Re -","- C164 H140 N8 O20 P8 Re4 -","4","1","","Chua, Zhijie; Rosadiuk, Kris; Perepichka, Inna; Bohle, Scott","Lewis Acid stabilization and Activation of Primary N-Nitrosamides","RSC Adv.","2017","","","","","10.1039/C6RA24421A","","","0.71073","MoKα","","0.0411","0.0284","","","0.0572","0.0617","","","","","","1.021","","","","has coordinates,has disorder","190378","2020-10-21","18:00:00",""
"7227420","8.8493","0.0014","11.2288","0.0018","18.574","0.003","90","","90.45","0.002","90","","1845.6","0.5","296","2","296","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","DTQopen","2,3-Bis(2,5-dimethylthiophen-3-yl)-5,6-dimethylbenzoquinone","","- C20 H20 O2 S2 -","- C20 H20 O2 S2 -","- C80 H80 O8 S8 -","4","1","","Saito, Eiji; Ako, Takumi; Kobori, Yasuhiro; Tsuda, Akihiko","Switching of the π-electronic conjugations in the reduction of a dithienylethene-fused p-benzoquinone","RSC Adv.","2017","7","5","2403","","10.1039/C6RA27001H","","","0.71073","MoKα","","0.0592","0.0439","","","0.1321","0.15","","","","","","0.883","","","","has coordinates","190458","2020-10-21","18:00:00",""
"7227421","11.6079","0.0008","8.1273","0.0003","25.7149","0.001","90","","92.286","0.004","90","","2424","0.2","106.4","","106.4","","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C24 H28 O14 -","- C24 H28 O14 -","- C96 H112 O56 -","4","1","","Sang, Xia-Nan; Chen, Shao-Fei; Chen, Gang; An, Xiao; Li, Sheng-Ge; Lu, Xiao-Jie; Zhao, Dan; Bai, Jiao; Wang, Hai-Feng; Pei, Yue-Hu","Two pairs of enantiomeric α-pyrone dimers from the endophytic fungus Phoma sp. YN02-P-3","RSC Adv.","2017","7","4","1943","","10.1039/C6RA26319D","","","1.5418","CuKα","","0.0566","0.0485","","","0.13","0.1371","","","","","","1.029","","","","has coordinates,has disorder","190459","2020-10-21","18:00:00",""
"7227422","10.4377","0.0009","17.2053","0.0014","8.6699","0.0007","90","","94.227","0.003","90","","1552.7","0.2","100","2","100","2","","","","","","","","5","C 1 c 1","C -2yc","9","","","","- C11 H15 Cl4 N Ti -","- C11 H15 Cl4 N Ti -","- C44 H60 Cl16 N4 Ti4 -","4","1","","Tripathi, Kamini; Rai, Abhishek; Yadav, Amarish Kumar; Srikrishna, Saripella; Kumari, Niraj; Mishra, Lallan","Fluorescein hydrazone-based supramolecular architectures, molecular recognition, sequential logic operation and cell imaging","RSC Adv.","2017","7","4","2264","","10.1039/C6RA26255D","","","0.71073","MoKα","","0.0398","0.0297","","","0.0541","0.0576","","","","","","1.013","","","","has coordinates","190460","2020-10-21","18:00:00",""
"7227423","8.2826","0.0005","13.7434","0.0007","19.0467","0.0009","84.161","0.004","86.179","0.004","77.4","0.004","2102.7","0.2","293","2","293","2","","","","","","","","4","P -1","-P 1","2","","","","- C43 H53 N5 O10 -","- C43 H53 N5 O10 -","- C86 H106 N10 O20 -","2","1","","Tripathi, Kamini; Rai, Abhishek; Yadav, Amarish Kumar; Srikrishna, Saripella; Kumari, Niraj; Mishra, Lallan","Fluorescein hydrazone-based supramolecular architectures, molecular recognition, sequential logic operation and cell imaging","RSC Adv.","2017","7","4","2264","","10.1039/C6RA26255D","","","0.71073","MoKα","","0.1219","0.0813","","","0.1842","0.2087","","","","","","1.042","","","","has coordinates","190460","2020-10-21","18:00:00",""
"7227424","20.173","0.004","10.666","0.002","18.074","0.004","90","","113.82","0.03","90","","3557.6","1.5","113","2","113","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C23 H15 F18 N4 O6 Tb -","- C23 H15 F18 N4 O6 Tb -","- C92 H60 F72 N16 O24 Tb4 -","4","0.5","","Yao, Binling; Gu, Bin; Su, Meihui; Li, Guoliang; Ma, Yue; Li, Licun; Wang, Qinglun; Cheng, Peng; Zhang, Xuan","Single-molecule magnet behavior in a mononuclear dysprosium(iii) complex with 1-methylimidazole","RSC Adv.","2017","7","5","2766","","10.1039/C6RA25038F","","","0.71073","MoKα","","0.0469","0.0428","","","0.1061","0.1108","","","","","","1.049","","","","has coordinates,has disorder","190461","2020-10-21","18:00:00",""
"7227425","20.103","0.004","10.649","0.002","18.062","0.004","90","","113.88","0.03","90","","3535.7","1.5","113.15","","113.15","","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C23 H15 Dy F18 N4 O6 -","- C23 H15 Dy F18 N4 O6 -","- C92 H60 Dy4 F72 N16 O24 -","4","0.5","","Yao, Binling; Gu, Bin; Su, Meihui; Li, Guoliang; Ma, Yue; Li, Licun; Wang, Qinglun; Cheng, Peng; Zhang, Xuan","Single-molecule magnet behavior in a mononuclear dysprosium(iii) complex with 1-methylimidazole","RSC Adv.","2017","7","5","2766","","10.1039/C6RA25038F","","","0.71073","MoKα","","0.05","0.0434","","","0.0987","0.1032","","","","","","1.014","","","","has coordinates,has disorder","190461","2020-10-21","18:00:00",""
"7227426","20.079","0.007","10.639","0.002","18.035","0.009","90","","113.89","0.03","90","","3523","2","113","2","113","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C23 H15 F18 Ho N4 O6 -","- C23 H15 F18 Ho N4 O6 -","- C92 H60 F72 Ho4 N16 O24 -","4","0.5","","Yao, Binling; Gu, Bin; Su, Meihui; Li, Guoliang; Ma, Yue; Li, Licun; Wang, Qinglun; Cheng, Peng; Zhang, Xuan","Single-molecule magnet behavior in a mononuclear dysprosium(iii) complex with 1-methylimidazole","RSC Adv.","2017","7","5","2766","","10.1039/C6RA25038F","","","0.71073","MoKα","","0.0468","0.0423","","","0.1035","0.1081","","","","","","1.039","","","","has coordinates,has disorder","190461","2020-10-21","18:00:00",""
"7227427","9.596","0.0015","13.277","0.002","15.277","0.003","104.26","0.004","96.594","0.002","97.594","0.003","1847.7","0.5","113","","113","","","","","","","","","5","P -1","-P 1","2","","","","- C30 H22 Eu N O9 -","- C30 H22 Eu N O9 -","- C60 H44 Eu2 N2 O18 -","2","1","","Zhao, Meng; Yao, Zhao-Quan; Xu, Yue-Ling; Chang, Ze; Bu, Xian-He","Guest dependent structure and acetone sensing properties of a 2D Eu3+ coordination polymer","RSC Adv.","2017","7","4","2258","","10.1039/C6RA25681C","","","0.71073","MoKα","","0.0381","0.0359","","","0.0988","0.0999","","","","","","1.057","","","","has coordinates","190462","2020-10-21","18:00:00",""
"7227428","9.4793","0.0011","11.192","0.0011","15.6287","0.0015","91.437","0.001","101.32","0.002","113.66","0.002","1479.2","0.3","113","2","113","2","","","","","","","","5","P -1","-P 1","2","","","","- C10 H8 Fe2 O6 S2 -","- C10 H8 Fe2 O6 S2 -","- C40 H32 Fe8 O24 S8 -","4","2","","Zhang, Xia; Zhang, Tianyong; Li, Bin; Zhang, Guanghui; Hai, Li; Ma, Xiaoyuan; Wu, Wubin","Direct synthesis of phenol by novel [FeFe]-hydrogenase model complexes as catalysts of benzene hydroxylation with H2O2","RSC Adv.","2017","7","5","2934","","10.1039/C6RA27831K","","","0.71073","MoKα","","0.0482","0.045","","","0.1063","0.1083","","","","","","1.018","","","","has coordinates,has disorder","190508","2020-10-21","18:00:00",""
"7227429","13.8434","0.0014","12.6809","0.0014","17.6","0.002","90","","102.58","0.002","90","","3015.5","0.6","113","2","113","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C27 H41 Fe2 O5 P S2 -","- C27 H41 Fe2 O5 P S2 -","- C108 H164 Fe8 O20 P4 S8 -","4","1","","Zhang, Xia; Zhang, Tianyong; Li, Bin; Zhang, Guanghui; Hai, Li; Ma, Xiaoyuan; Wu, Wubin","Direct synthesis of phenol by novel [FeFe]-hydrogenase model complexes as catalysts of benzene hydroxylation with H2O2","RSC Adv.","2017","7","5","2934","","10.1039/C6RA27831K","","","0.71073","MoKα","","0.0298","0.0286","","","0.0715","0.0722","","","","","","1.057","","","","has coordinates","190508","2020-10-21","18:00:00",""
"7227430","9.846","0.002","11.197","0.002","13.562","0.002","96.013","0.003","93.089","0.004","111.076","0.005","1380.7","0.4","113","2","113","2","","","","","","","","6","P -1","-P 1","2","","","","- C27 H23 Fe2 O5 P S2 -","- C27 H23 Fe2 O5 P S2 -","- C54 H46 Fe4 O10 P2 S4 -","2","1","","Zhang, Xia; Zhang, Tianyong; Li, Bin; Zhang, Guanghui; Hai, Li; Ma, Xiaoyuan; Wu, Wubin","Direct synthesis of phenol by novel [FeFe]-hydrogenase model complexes as catalysts of benzene hydroxylation with H2O2","RSC Adv.","2017","7","5","2934","","10.1039/C6RA27831K","","","0.71073","MoKα","","0.0642","0.0618","","","0.1701","0.1749","","","","","","1.076","","","","has coordinates,has disorder","190508","2020-10-21","18:00:00",""
"7227431","11.3908","0.0012","8.3911","0.0007","18.9319","0.0019","90","","106.049","0.002","90","","1739","0.3","113","2","113","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C15 H13 Cl2 N3 O4 S -","- C15 H13 Cl2 N3 O4 S -","- C60 H52 Cl8 N12 O16 S4 -","4","1","","Chen, Lai; Guo, Xiao-Feng; Fan, Zhi-Jin; Zhang, Nai-Lou; Zhu, Yu-Jie; Zhang, Zhi-Ming; Khazhieva, Inna; Yurievich, Morzherin Y.; Belskaya, Nataliya P.; Bakulev, Vasiliy A.","Synthesis and fungicidal activity of 3,4-dichloroisothiazole based strobilurins as potent fungicide candidates","RSC Adv.","2017","7","6","3145","","10.1039/C6RA25520E","","","0.71073","MoKα","","0.0722","0.0698","","","0.2049","0.2064","","","","","","1.061","","","","has coordinates","190509","2020-10-21","18:00:00",""
"7227432","8.6745","0.0002","8.9262","0.0002","17.2543","0.0004","90","","103.42","0.002","90","","1299.53","0.05","100","1","100","1","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C29 H30 N4 O4 S -","- C29 H30 N4 O4 S -","- C58 H60 N8 O8 S2 -","2","1","","Sadu, Venkata S.; Sadu, Sirisha; Kim, Seji; Hwang, In-Taek; Kong, Ki-Jeong; Lee, Kee-In","Influence of steric demand on ruthenium-catalyzed cycloaddition of sterically hindered azides","RSC Adv.","2017","7","6","3229","","10.1039/C6RA25403A","","","0.71073","MoKα","","0.0574","0.0437","","","0.0932","0.0985","","","","","","1.025","","","","has coordinates","190510","2020-10-21","18:00:00",""
"7227433","18.788","0.004","8.43","0.0017","18.868","0.004","90","","115.53","0.03","90","","2696.6","1.2","100","2","100","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C32 H32 N2 Ni O5 -","- C32 H32 N2 Ni O5 -","- C128 H128 N8 Ni4 O20 -","4","1","","Lee, Jae Hwa; Park, Sungbin; Jeoung, Sungeun; Moon, Hoi Ri","Single-crystal-to-single-crystal transformation of a coordination polymer from 2D to 3D by [2+2] photodimerization assisted with a coexisting flexible ligand","CrystEngComm","2017","","","","","10.1039/C6CE02652D","","","0.63","synchrotron","","0.0683","0.0406","","","0.1008","0.1107","","","","","","0.975","","","","has coordinates","190572","2020-10-21","18:00:00",""
"7227434","21.313","0.004","8.508","0.0017","30.83","0.006","90","","94.27","0.03","90","","5574.9","1.9","100","2","100","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C64 H64 N4 Ni2 O10 -","- C64 H64 N4 Ni2 O10 -","- C256 H256 N16 Ni8 O40 -","4","1","","Lee, Jae Hwa; Park, Sungbin; Jeoung, Sungeun; Moon, Hoi Ri","Single-crystal-to-single-crystal transformation of a coordination polymer from 2D to 3D by [2+2] photodimerization assisted with a coexisting flexible ligand","CrystEngComm","2017","","","","","10.1039/C6CE02652D","","","0.7","synchrotron","","0.1578","0.0774","","","0.2061","0.25","","","","","","1.01","","","","has coordinates,has disorder","190572","2020-10-21","18:00:00",""
"7227435","18.732","0.004","8.404","0.0017","18.827","0.004","90","","115.03","0.03","90","","2685.5","1.2","100","2","100","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C32 H32 N2 Ni O5 -","- C32 H32 N2 Ni O5 -","- C128 H128 N8 Ni4 O20 -","4","1","","Lee, Jae Hwa; Park, Sungbin; Jeoung, Sungeun; Moon, Hoi Ri","Single-crystal-to-single-crystal transformation of a coordination polymer from 2D to 3D by [2+2] photodimerization assisted with a coexisting flexible ligand","CrystEngComm","2017","","","","","10.1039/C6CE02652D","","","0.65","synchrotron","","0.1407","0.0629","","","0.162","0.1917","","","","","","1.076","","","","has coordinates,has disorder","190572","2020-10-21","18:00:00",""
"7227436","13.4938","0.0004","8.7231","0.0003","22.5819","0.0006","90","","95.3654","0.0011","90","","2646.42","0.14","100","2","100","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C27 H26 Mn N5 O7 -","- C27 H26 Mn N5 O7 -","- C108 H104 Mn4 N20 O28 -","4","1","","Ako, Ayuk M.; Hawes, Chris S.; Twamley, Brendan; Schmitt, Wolfgang","Facile adaptation of 1D Mn(ii) chain motifs to form 3D azo-pyridine-based coordination polymers","CrystEngComm","2017","19","6","994","","10.1039/C6CE02493A","","","0.71073","MoKα","","0.0383","0.0312","","","0.0805","0.0846","","","","","","1.052","","","","has coordinates,has disorder","193759","2020-10-21","18:00:00",""
"7227437","7.4909","0.0002","11.8073","0.0004","24.3162","0.0008","90","","90","","90","","2150.7","0.12","100","2","100","2","","","","","","","","5","P n a 21","P 2c -2n","33","","","","- C14 H18 Mn N8 O8 -","- C14 H18 Mn N8 O8 -","- C56 H72 Mn4 N32 O32 -","4","1","","Ako, Ayuk M.; Hawes, Chris S.; Twamley, Brendan; Schmitt, Wolfgang","Facile adaptation of 1D Mn(ii) chain motifs to form 3D azo-pyridine-based coordination polymers","CrystEngComm","2017","19","6","994","","10.1039/C6CE02493A","","","0.71073","MoKα","","0.0452","0.0421","","","0.1113","0.1133","","","","","","1.097","","","","has coordinates","193759","2020-10-21","18:00:00",""
"7227438","9.1567","0.0004","10.545","0.0005","14.0966","0.0006","90","","97.5786","0.0007","90","","1349.24","0.1","100","2","100","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C24 H16 Ag2 Mn N12 -","- C24 H16 Ag2 Mn N12 -","- C48 H32 Ag4 Mn2 N24 -","2","0.5","","Ako, Ayuk M.; Hawes, Chris S.; Twamley, Brendan; Schmitt, Wolfgang","Facile adaptation of 1D Mn(ii) chain motifs to form 3D azo-pyridine-based coordination polymers","CrystEngComm","2017","19","6","994","","10.1039/C6CE02493A","","","0.71073","MoKα","","0.0145","0.0135","","","0.034","0.0344","","","","","","1.058","","","","has coordinates","193759","2020-10-21","18:00:00",""
"7227439","15.021","0.002","16.504","0.003","25.151","0.004","90","","96.42","0.002","90","","6196","1.7","150","2","150","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C64 H66 N6 O8 Zn4 -","- C64 H66 N6 O8 Zn4 -","- C256 H264 N24 O32 Zn16 -","4","1","","Al-Khafaji, Yahya F.; Elsegood, Mark R. J.; Frese, Josef W. A.; Redshaw, Carl","Ring opening polymerization of lactides and lactones by multimetallic alkyl zinc complexes derived from the acids Ph2C(X)CO2H (X = OH, NH2)","RSC Adv.","2017","7","8","4510","","10.1039/C6RA26746G","","","0.71073","MoKα","","0.077","0.0531","","","0.1235","0.1379","","","","","","1.07","","","","has coordinates","190580","2020-10-21","18:00:00",""
"7227440","18.401","0.005","18.401","0.005","11.347","0.003","90","","90","","90","","3842.1","1.8","150","2","150","2","","","","","","","","6","I -4","I -4","82","","","","- C84 H64 F12 N4 O8 Zn4 -","- C84 H64 F12 N4 O8 Zn4 -","- C168 H128 F24 N8 O16 Zn8 -","2","0.25","","Al-Khafaji, Yahya F.; Elsegood, Mark R. J.; Frese, Josef W. A.; Redshaw, Carl","Ring opening polymerization of lactides and lactones by multimetallic alkyl zinc complexes derived from the acids Ph2C(X)CO2H (X = OH, NH2)","RSC Adv.","2017","7","8","4510","","10.1039/C6RA26746G","","","0.71073","MoKα","","0.0573","0.0554","","","0.1313","0.133","","","","","","1.109","","","","has coordinates","190580","2020-10-21","18:00:00",""
"7227441","13.5944","0.0005","13.5944","0.0005","22.3469","0.0009","90","","90","","90","","4129.9","0.3","150","2","150","2","","","","","","","","6","I -4","I -4","82","","","","- C94 H75.18 F12 N4 O9.59 Zn4 -","- C94 H72 F12 N4 O9.588 Zn4 -","- C188 H144 F24 N8 O19.176 Zn8 -","2","0.25","","Al-Khafaji, Yahya F.; Elsegood, Mark R. J.; Frese, Josef W. A.; Redshaw, Carl","Ring opening polymerization of lactides and lactones by multimetallic alkyl zinc complexes derived from the acids Ph2C(X)CO2H (X = OH, NH2)","RSC Adv.","2017","7","8","4510","","10.1039/C6RA26746G","","","0.71073","MoKα","","0.0362","0.0318","","","0.0797","0.082","","","","","","1.041","","","","has coordinates,has disorder","190580","2020-10-21","18:00:00",""
"7227442","9.3027","0.0005","18.1466","0.001","14.1566","0.0008","90","","94.8366","0.001","90","","2381.3","0.2","150","2","150","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C25 H18 B F9 N2 -","- C25 H18 B F9 N2 -","- C100 H72 B4 F36 N8 -","4","1","","Al-Khafaji, Yahya F.; Elsegood, Mark R. J.; Frese, Josef W. A.; Redshaw, Carl","Ring opening polymerization of lactides and lactones by multimetallic alkyl zinc complexes derived from the acids Ph2C(X)CO2H (X = OH, NH2)","RSC Adv.","2017","7","8","4510","","10.1039/C6RA26746G","","","0.71073","MoKα","","0.0668","0.0428","","","0.0959","0.105","","","","","","1.048","","","","has coordinates","190580","2020-10-21","18:00:00",""
"7227443","12.7113","0.0011","9.9296","0.0008","6.5812","0.0006","90","","90","","90","","830.67","0.12","150","2","150","2","","","","","","","","5","P n m a","-P 2ac 2n","62","","","","- C4 H6 Cl2 N2 Zn -","- C4 H6 Cl2 N2 Zn -","- C16 H24 Cl8 N8 Zn4 -","4","0.5","","Al-Khafaji, Yahya F.; Elsegood, Mark R. J.; Frese, Josef W. A.; Redshaw, Carl","Ring opening polymerization of lactides and lactones by multimetallic alkyl zinc complexes derived from the acids Ph2C(X)CO2H (X = OH, NH2)","RSC Adv.","2017","7","8","4510","","10.1039/C6RA26746G","","","0.71073","MoKα","","0.0236","0.0199","","","0.0535","0.055","","","","","","1.042","","","","has coordinates","190580","2020-10-21","18:00:00",""
"7227444","11.692","0.003","7.545","0.003","20.193","0.005","90","","90","","90","","1781.3","1","120","2","120","2","","","","","","","","3","P b c a","-P 2ac 2ab","61","2,3-dibromonaphthalene","2,3-dibromonaphthalene","","- C10 H6 Br2 -","- C10 H6 Br2 -","- C80 H48 Br16 -","8","1","","Białkowska, Magda; Chaładaj, Wojciech; Deperasińska, Irena; Drzewiecka-Antonik, Aleksandra; Koziol, Anna E.; Makarewicz, Artur; Kozankiewicz, Bolesław","Single molecules of terrylene in di-substituted naphthalenes crystallizing in the herringbone pattern","RSC Adv.","2017","7","5","2780","","10.1039/C6RA27167G","","","1.54184","CuKα","","0.0632","0.0475","","","0.12","0.1374","","","","","","1.004","","","","has coordinates","190581","2020-10-21","18:00:00",""
"7227445","11.631","0.003","7.417","0.002","19.691","0.004","90","","90","","90","","1698.7","0.7","120","2","120","2","","","","","","","","3","P b c a","-P 2ac 2ab","61","2,3-dichloronaphthalene","2,3-dichloronaphthalene","","- C10 H6 Cl2 -","- C10 H6 Cl2 -","- C80 H48 Cl16 -","8","1","","Białkowska, Magda; Chaładaj, Wojciech; Deperasińska, Irena; Drzewiecka-Antonik, Aleksandra; Koziol, Anna E.; Makarewicz, Artur; Kozankiewicz, Bolesław","Single molecules of terrylene in di-substituted naphthalenes crystallizing in the herringbone pattern","RSC Adv.","2017","7","5","2780","","10.1039/C6RA27167G","","","1.54184","CuKα","","0.102","0.0788","","","0.2002","0.2253","","","","","","1.089","","","","has coordinates","190581","2020-10-21","18:00:00",""
"7227446","8.858","0.0006","12.4336","0.0007","17.542","0.0012","90","","90","","90","","1932","0.2","293","2","293","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","sd310-42","","- C21 H32 O4 -","- C21 H32 O4 -","- C84 H128 O16 -","4","1","","Li, Xin; Li, Xiao-Dong; Li, Xiao-Ming; Xu, Gang-Ming; Liu, Yang; Wang, Bin-Gui","Wentinoids A‒F, six new isopimarane diterpenoids from Aspergillus wentii SD-310, a deep-sea sediment derived fungus","RSC Adv.","2017","7","8","4387","","10.1039/C6RA27209F","","","1.54178","CuKα","","0.0894","0.0567","","","0.1105","0.1289","","","","","","1.037","","","","has coordinates","190582","2020-10-21","18:00:00",""
"7227447","6.6729","0.0005","11.9119","0.0009","23.5741","0.0018","90","","90","","90","","1873.8","0.2","293","2","293","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","sd310-40","","- C20 H32 O3 -","- C20 H32 O3 -","- C80 H128 O12 -","4","1","","Li, Xin; Li, Xiao-Dong; Li, Xiao-Ming; Xu, Gang-Ming; Liu, Yang; Wang, Bin-Gui","Wentinoids A‒F, six new isopimarane diterpenoids from Aspergillus wentii SD-310, a deep-sea sediment derived fungus","RSC Adv.","2017","7","8","4387","","10.1039/C6RA27209F","","","1.54178","CuKα","","0.2224","0.096","","","0.2657","0.2979","","","","","","1.27","","","","has coordinates,has disorder","190582","2020-10-21","18:00:00",""
"7227448","9.4327","0.0006","13.1356","0.0009","16.737","0.0009","90","","90","","90","","2073.8","0.2","293","2","293","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","sd310-20","","- C22 H32 O4 -","- C22 H32 O4 -","- C88 H128 O16 -","4","1","","Li, Xin; Li, Xiao-Dong; Li, Xiao-Ming; Xu, Gang-Ming; Liu, Yang; Wang, Bin-Gui","Wentinoids A‒F, six new isopimarane diterpenoids from Aspergillus wentii SD-310, a deep-sea sediment derived fungus","RSC Adv.","2017","7","8","4387","","10.1039/C6RA27209F","","","1.54178","CuKα","","0.0722","0.0502","","","0.1068","0.1211","","","","","","1.034","","","","has coordinates","190582","2020-10-21","18:00:00",""
"7227449","10.1099","0.0007","14.5192","0.001","18.8693","0.0014","73.736","0.004","86.862","0.004","78.123","0.004","2602","0.3","296","2","296","2","","","","","","","","6","P -1","-P 1","2","","","","- C24 H24 B2 Cu F8 N4 -","- C24 H24 B2 Cu F8 N4 -","- C96 H96 B8 Cu4 F32 N16 -","4","2","","Li, Jiajia; Yang, Xichuan; Yu, Ze; Gurzadyan, Gagik G.; Cheng, Ming; Zhang, Fuguo; Cong, Jiayan; Wang, Weihan; Wang, Haoxin; Li, Xiaoxin; Kloo, Lars; Wang, Mei; Sun, Licheng","Efficient dye-sensitized solar cells with [copper(6,6′-dimethyl-2,2′-bipyridine)2]2+/1+ redox shuttle","RSC Adv.","2017","7","8","4611","","10.1039/C6RA25676G","","","0.71073","MoKα","","0.0678","0.0559","","","0.1695","0.1777","","","","","","1.079","","","","has coordinates","203412","2020-10-21","18:00:00",""
"7227450","10.4583","0.0001","13.32","0.0002","22.0536","0.0003","90","","90","","90","","3072.17","0.07","296","2","296","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C34 H44 O7 -","- C34 H44 O7 -","- C136 H176 O28 -","4","1","","Wu, Jie-Wei; Tang, Chunping; Ke, Chang-Qiang; Yao, Sheng; Liu, Hong-Chun; Lin, Li-Gen; Ye, Yang","Dicarabrol A, dicarabrone C and dipulchellin A, unique sesquiterpene lactone dimers from Carpesium abrotanoides","RSC Adv.","2017","7","8","4639","","10.1039/C6RA27626A","","","1.54178","CuKα","","0.1011","0.0993","","","0.3028","0.3076","","","","","","1.539","","","","has coordinates,has disorder","190584","2020-10-21","18:00:00",""
"7227451","5.4625","0.0004","6.5901","0.0006","29.293","0.003","90","","90.889","0.006","90","","1054.37","0.16","296","2","296","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C18 H20 Co3 O10 P2 -","- C18 H20 Co3 O10 P2 -","- C36 H40 Co6 O20 P4 -","2","0.5","","Du, Zi-Yi; Zhang, Ling; Wang, Bao-Ying; Liu, Sui-Jun; Huang, Bo; Liu, Cai-Ming; Zhang, Wei-Xiong","Two magnetic Δ-chain-based Mn(ii) and Co(ii) coordination polymers with mixed carboxylate‒phosphinate and μ3-OH− bridges","CrystEngComm","2017","19","7","1052","","10.1039/C6CE02537D","","","0.71073","MoKα","","0.0604","0.0414","","","0.083","0.0897","","","","","","1.04","","","","has coordinates","193761","2020-10-21","18:00:00",""
"7227452","5.6315","0.0004","6.7154","0.0005","29.169","0.003","90","","91.174","0.006","90","","1102.88","0.16","296","2","296","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C18 H20 Mn3 O10 P2 -","- C18 H20 Mn3 O10 P2 -","- C36 H40 Mn6 O20 P4 -","2","0.5","","Du, Zi-Yi; Zhang, Ling; Wang, Bao-Ying; Liu, Sui-Jun; Huang, Bo; Liu, Cai-Ming; Zhang, Wei-Xiong","Two magnetic Δ-chain-based Mn(ii) and Co(ii) coordination polymers with mixed carboxylate‒phosphinate and μ3-OH− bridges","CrystEngComm","2017","19","7","1052","","10.1039/C6CE02537D","","","0.71073","MoKα","","0.1072","0.0885","","","0.1932","0.2018","","","","","","1.083","","","","has coordinates","193761","2020-10-21","18:00:00",""
"7227453","9.2637","0.0004","10.3529","0.0004","10.4849","0.0005","86.787","0.004","75.671","0.004","82.064","0.004","964.7","0.07","293","","293","","","","","","","","","3","P -1","-P 1","2","","N-((1-(2,6-dimethylphenyl)-1H-tetrazol-5-yl)(phenyl)methyl)aniline","","- C22 H21 N5 -","- C22 H21 N5 -","- C44 H42 N10 -","2","1","","Pharande, Shrikant G.; Corrales Escobosa, Alma Rosa; Gámez-Montaño, Rocío","Endogenous water-triggered and ultrasound accelerated synthesis of 1,5-disubstituted tetrazoles via a solvent and catalyst-free Ugi-azide reaction","Green Chem.","2017","19","5","1259","","10.1039/C6GC03324E","","x-ray","0.71073","MoKα","","0.0699","0.0533","","","0.1293","0.1424","","","","","","1.033","","","","has coordinates","195137","2020-10-21","18:00:00",""
"7227454","8.7719","0.0017","12.685","0.002","12.779","0.003","90","","90","","90","","1421.9","0.5","100","","100","","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C13 H15 F6 P Ru -","- C13 H15 F6 P Ru -","- C52 H60 F24 P4 Ru4 -","4","1","","Tominaga, Takumi; Ueda, Takahiro; Mochida, Tomoyuki","Effect of substituents and anions on the phase behavior of Ru(ii) sandwich complexes: exploring the boundaries between ionic liquids and ionic plastic crystals.","Physical chemistry chemical physics : PCCP","2017","19","6","4352","4359","10.1039/c6cp08308k","","","0.71073","MoKα","","0.048","0.0469","","","0.1128","0.114","","","","","","1.045","","","","has coordinates","193912","2020-10-21","18:00:00",""
"7227455","7.2375","0.0014","17.759","0.003","20.303","0.004","90","","97.97","0.002","90","","2584.4","0.8","173","2","173","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C15 H11 N3 Ru -","- C15 H11 N3 Ru -","- C120 H88 N24 Ru8 -","8","2","","Tominaga, Takumi; Ueda, Takahiro; Mochida, Tomoyuki","Effect of substituents and anions on the phase behavior of Ru(ii) sandwich complexes: exploring the boundaries between ionic liquids and ionic plastic crystals.","Physical chemistry chemical physics : PCCP","2017","19","6","4352","4359","10.1039/c6cp08308k","","","0.71073","","","0.0459","0.0379","","","0.0901","0.0962","","","","","","1.013","","","","has coordinates","193912","2020-10-21","18:00:00",""
"7227456","10.175","0.004","21.481","0.01","10.493","0.005","90","","93.144","0.009","90","","2290","1.8","293","2","293","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C24 H46 N28 O7 Zn4 -","- C24 H46 N28 O7 Zn4 -","- C48 H92 N56 O14 Zn8 -","2","1","","Li, Min-Yu; Wang, Fei; Gu, Zhi-Gang; Zhang, Jian","Synthesis of homochiral zeolitic metal‒organic frameworks with amino acid and tetrazolates for chiral recognition","RSC Adv.","2017","7","9","4872","","10.1039/C6RA27069G","","","0.71073","MoKα","","0.126","0.0685","","","0.125","0.159","","","","","","1.046","","","","has coordinates","190640","2020-10-21","18:00:00",""
"7227457","10.11","0.005","21.362","0.01","10.475","0.005","90","","93.97","0.006","90","","2256.9","1.9","293","2","293","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C24 H44 N28 O8 Zn4 -","- C24 H44 N28 O8 Zn4 -","- C48 H88 N56 O16 Zn8 -","2","1","","Li, Min-Yu; Wang, Fei; Gu, Zhi-Gang; Zhang, Jian","Synthesis of homochiral zeolitic metal‒organic frameworks with amino acid and tetrazolates for chiral recognition","RSC Adv.","2017","7","9","4872","","10.1039/C6RA27069G","","","0.71073","MoKα","","0.1488","0.0733","","","0.1399","0.181","","","","","","1.019","","","","has coordinates","190640","2020-10-21","18:00:00",""
"7227458","10.185","0.004","21.488","0.009","10.501","0.005","90","","93.174","0.008","90","","2294.7","1.7","293","2","293","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C24 H46 N28 O7 Zn4 -","- C24 H46 N28 O7 Zn4 -","- C48 H92 N56 O14 Zn8 -","2","1","","Li, Min-Yu; Wang, Fei; Gu, Zhi-Gang; Zhang, Jian","Synthesis of homochiral zeolitic metal‒organic frameworks with amino acid and tetrazolates for chiral recognition","RSC Adv.","2017","7","9","4872","","10.1039/C6RA27069G","","","0.71073","MoKα","","0.1504","0.0643","","","0.113","0.1538","","","","","","0.965","","","","has coordinates","190640","2020-10-21","18:00:00",""
"7227459","10.2303","0.0003","21.4402","0.0006","11.1573","0.0004","90","","91.259","0.003","90","","2446.65","0.13","293","2","293","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C28 H52 N28 O6 Zn4 -","- C28 H52 N28 O6 Zn4 -","- C56 H104 N56 O12 Zn8 -","2","1","","Li, Min-Yu; Wang, Fei; Gu, Zhi-Gang; Zhang, Jian","Synthesis of homochiral zeolitic metal‒organic frameworks with amino acid and tetrazolates for chiral recognition","RSC Adv.","2017","7","9","4872","","10.1039/C6RA27069G","","","1.54178","CuKα","","0.0593","0.0446","","","0.1167","0.1304","","","","","","1.017","","","","has coordinates","190640","2020-10-21","18:00:00",""
"7227460","12.209","0.011","20.445","0.018","20.68","0.019","90","","90","","90","","5162","8","296","2","296.15","","","","","","","","","3","F d d d","-F 2uv 2vw","70","","","","- Eu Ga2 S4 -","- Eu Ga2 S4 -","- Eu32 Ga64 S128 -","32","","","Chi, Yang; Guo, Sheng-Ping; Xue, Huai-Guo","Band gap tuning from an indirect EuGa2S4 to a direct EuZnGeS4 semiconductor: syntheses, crystal and electronic structures, and optical properties","RSC Adv.","2017","7","9","5039","","10.1039/C6RA25283D","","","0.71073","MoKα","","0.0421","0.0342","","","0.0841","0.0894","","","","","","1.145","","","","has coordinates","190641","2020-10-21","18:00:00",""
"7227461","13.4899","0.0007","21.7475","0.0013","21.8592","0.0011","90","","90","","90","","6412.9","0.6","296","2","296.15","","","","","","","","","3","F d d d","-F 2uv 2vw","70","","","","- Eu In2 Se4 -","- Eu In2 Se4 -","- Eu32 In64 Se128 -","32","","","Chi, Yang; Guo, Sheng-Ping; Xue, Huai-Guo","Band gap tuning from an indirect EuGa2S4 to a direct EuZnGeS4 semiconductor: syntheses, crystal and electronic structures, and optical properties","RSC Adv.","2017","7","9","5039","","10.1039/C6RA25283D","","","0.71073","MoKα","","0.0493","0.0285","","","0.0594","0.0666","","","","","","1.093","","","","has coordinates","190642","2020-10-21","18:00:00",""
"7227462","13.016","0.003","20.772","0.005","21.076","0.005","90","","90","","90","","5698","2","296","2","296.15","","","","","","","","","3","F d d d","-F 2uv 2vw","70","","","","- Eu In2 S4 -","- Eu In2 S4 -","- Eu32 In64 S128 -","32","","","Chi, Yang; Guo, Sheng-Ping; Xue, Huai-Guo","Band gap tuning from an indirect EuGa2S4 to a direct EuZnGeS4 semiconductor: syntheses, crystal and electronic structures, and optical properties","RSC Adv.","2017","7","9","5039","","10.1039/C6RA25283D","","","0.71073","MoKα","","0.0428","0.0327","","","0.0793","0.0878","","","","","","1.09","","","","has coordinates","190643","2020-10-21","18:00:00",""
"7227463","20.398","0.006","20.682","0.006","12.234","0.004","90","","90","","90","","5161","3","296","2","296.15","","","","","","","","","4","F d d d","-F 2uv 2vw","70","","","","- Eu Ge S4 Zn -","- Eu Ge S4 Zn -","- Eu32 Ge32 S128 Zn32 -","32","","","Chi, Yang; Guo, Sheng-Ping; Xue, Huai-Guo","Band gap tuning from an indirect EuGa2S4 to a direct EuZnGeS4 semiconductor: syntheses, crystal and electronic structures, and optical properties","RSC Adv.","2017","7","9","5039","","10.1039/C6RA25283D","","","0.71073","MoKα","","0.0553","0.0483","","","0.1245","0.1279","","","","","","1.129","","","","has coordinates","190644","2020-10-21","18:00:00",""
"7227464","9.6264","0.0004","9.6264","0.0004","42.6146","0.0018","90","","90","","90","","3949","0.3","296","2","296","2","","","","","","","","6","P 43","P 4cw","78","","","","- C20 H23 F N2 O2 S -","- C20 H23 F N2 O2 S -","- C160 H184 F8 N16 O16 S8 -","8","2","","Xie, Chen; Sha, Wanxing; Zhu, Yi; Han, Jianlin; Soloshonok, Vadim A.; Pan, Yi","Asymmetric synthesis of C‒F quaternary α-fluoro-β-amino-indolin-2-ones via Mannich addition reactions; facets of reactivity, structural generality and stereochemical outcome","RSC Adv.","2017","7","10","5679","","10.1039/C6RA27710A","","","0.71073","MoKα","","0.0726","0.0506","","","0.1096","0.1186","","","","","","1.055","","","","has coordinates","190645","2020-10-21","18:00:00",""
"7227465","29.2197","0.0006","6.08065","0.00011","16.8443","0.0003","90","","114.964","0.0007","90","","2713.21","0.09","323","","323","","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C22 H15 F6 N2 P S8 -","- C22 H14 F6 N2 P S8 -","- C88 H56 F24 N8 P4 S32 -","4","0.5","","Kanetou, Tomoaki; Tsunashima, Ryo; Hoshino, Norihisa; Akutagawa, Tomoyuki","Solid-state structure and electronic states of hydrogen-bonded dimer of pyridyl-substituted tetrathiafulvalene salted with PF6−","RSC Adv.","2017","7","11","6236","","10.1039/C6RA27814K","","","1.54187","CuKα","","","0.0377","","","","0.131","","","","","","0.842","","","","has coordinates","190646","2020-10-21","18:00:00",""
"7227466","28.6106","0.0006","6.00201","0.00012","16.6897","0.0003","90","","113.9","0.0008","90","","2620.22","0.09","93","","93","","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C22 H15 F6 N2 P S8 -","- C22 H14 F6 N2 P S8 -","- C88 H56 F24 N8 P4 S32 -","4","0.5","","Kanetou, Tomoaki; Tsunashima, Ryo; Hoshino, Norihisa; Akutagawa, Tomoyuki","Solid-state structure and electronic states of hydrogen-bonded dimer of pyridyl-substituted tetrathiafulvalene salted with PF6−","RSC Adv.","2017","7","11","6236","","10.1039/C6RA27814K","","","1.54187","CuKα","","","0.0314","","","","0.0882","","","","","","1.137","","","","has coordinates","190646","2020-10-21","18:00:00",""
"7227467","7.682","0.0012","10.2672","0.0015","18.256","0.003","90","","90","","90","","1439.9","0.4","180","2","180","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C8 H4 Eu0.1 O4 Pb0.85 -","- C8 H4 Eu0.1 O4 Pb0.85 -","- C64 H32 Eu0.8 O32 Pb6.8 -","8","1","","Barbosa, C. D. E. S.; da Luz, L. L.; Paz, F. A. Almeida; Malta, O. L.; Rodrigues, M. O.; Júnior, S. A.; Ferreira, R. A. S.; Carlos, L. D.","Site-selective Eu(iii) spectroscopy of highly efficient luminescent mixed-metal Pb(ii)/Eu(iii) coordination polymers","RSC Adv.","2017","7","10","6093","","10.1039/C6RA27850G","","","0.71073","MoKα","","0.0445","0.0253","","","0.0477","0.0543","","","","","","1.022","","","","has coordinates","190647","2020-10-21","18:00:00",""
"7227468","12.0542","0.0004","12.5534","0.0004","15.406","0.0004","112.178","0.003","102.023","0.003","99.933","0.003","2028.64","0.13","100","2","100","2","","","","","","","","6","P -1","-P 1","2","","","","- C68 H60 Fe2 N44 Na2 O12 -","- C68 H36 Fe2 N44 Na2 O12 -","- C68 H36 Fe2 N44 Na2 O12 -","1","0.5","","Han, Yi; Zheng, Hao; Li, Huijun; Wang, Hongli; Wang, Shi-Min; Geng, Yanling; Wang, Lei","Solvent-mediated preparation of a heterometallic [2 ×2] grid via a 1D metal‒organic template with extraordinary acid/base-resistance","RSC Adv.","2017","7","10","5578","","10.1039/C6RA26412C","","","1.54178","CuKα","","0.1064","0.094","","","0.2661","0.2748","","","","","","1.068","","","","has coordinates","190648","2020-10-21","18:00:00",""
"7227469","22.027","0.004","7.4504","0.0015","11.654","0.002","90","","90.19","0.03","90","","1912.5","0.6","293","2","293","2","","","","","","","","6","C 1 2 1","C 2y","5","","","","- C17 H14 Fe N11 O3 S0 -","- C17 H11 Fe N11 O3 -","- C68 H44 Fe4 N44 O12 -","4","1","","Han, Yi; Zheng, Hao; Li, Huijun; Wang, Hongli; Wang, Shi-Min; Geng, Yanling; Wang, Lei","Solvent-mediated preparation of a heterometallic [2 ×2] grid via a 1D metal‒organic template with extraordinary acid/base-resistance","RSC Adv.","2017","7","10","5578","","10.1039/C6RA26412C","","","0.71073","MoKα","","0.0559","0.0554","","","0.1588","0.1595","","","","","","1.052","","","","has coordinates","190648","2020-10-21","18:00:00",""
"7227470","15.3271","0.0003","17.5154","0.0006","11.6216","0.0003","90","","101.145","0.002","90","","3061.1","0.15","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C30 H29 Cd N3 O7 -","- C30 H29 Cd N3 O7 -","- C120 H116 Cd4 N12 O28 -","4","1","","Wu, Lei; Chigan, Dongdong; Yan, Luke; Chen, Huaxin","Metal organic frameworks with uni-, di-, and tri-nuclear Cd(ii) SBU prepared from 1,3-bis(4-pyridyl)propane and different dicarboxylate ligands: syntheses, structures and luminescent properties","RSC Adv.","2017","7","10","5541","","10.1039/C6RA26855B","","","0.71073","MoKα","","0.0832","0.0576","","","0.1392","0.1626","","","","","","1.047","","","","has coordinates","190649","2020-10-21","18:00:00",""
"7227471","16.375","0.003","12.766","0.003","25.32","0.005","90","","98.43","0.03","90","","5235.8","1.9","293","2","293","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C21 H18 Cd N2 O5 -","- C21 H18 Cd N2 O5 -","- C168 H144 Cd8 N16 O40 -","8","1","","Wu, Lei; Chigan, Dongdong; Yan, Luke; Chen, Huaxin","Metal organic frameworks with uni-, di-, and tri-nuclear Cd(ii) SBU prepared from 1,3-bis(4-pyridyl)propane and different dicarboxylate ligands: syntheses, structures and luminescent properties","RSC Adv.","2017","7","10","5541","","10.1039/C6RA26855B","","","0.71073","MoKα","","0.0692","0.0668","","","0.2401","0.2414","","","","","","1.24","","","","has coordinates","190649","2020-10-21","18:00:00",""
"7227472","53.6","0.011","13.976","0.003","47.389","0.009","90","","118.27","0.03","90","","31266","14","293","2","293","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C234 H168 Cd12 N8 O73 -","- C234 H168 Cd12 N8 O73 -","- C936 H672 Cd48 N32 O292 -","4","0.5","","Wu, Lei; Chigan, Dongdong; Yan, Luke; Chen, Huaxin","Metal organic frameworks with uni-, di-, and tri-nuclear Cd(ii) SBU prepared from 1,3-bis(4-pyridyl)propane and different dicarboxylate ligands: syntheses, structures and luminescent properties","RSC Adv.","2017","7","10","5541","","10.1039/C6RA26855B","","","0.71073","MoKα","","0.1085","0.0681","","","0.1725","0.1924","","","","","","1.04","","","","has coordinates","190649","2020-10-21","18:00:00",""
"7227473","7.5863","0.0005","6.0552","0.0004","46.173","0.003","90","","90","","90","","2121","0.2","299","2","299","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C2.38 H1.7 O0.17 S0.17 -","- C2.38298 H1.70213 O0.170213 S0.170213 -","- C112 H80 O8 S8 -","47","5.875","","Yao, Chao; Chen, Xiaolong; He, Yaowu; Guo, Yitong; Murtaza, Imran; Meng, Hong","Design and characterization of methoxy modified organic semiconductors based on phenyl[1]benzothieno[3,2-b][1]benzothiophene","RSC Adv.","2017","7","9","5514","","10.1039/C6RA28074A","","","1.54178","CuKα","","0.0624","0.0525","","","0.1351","0.1395","","","","","","1.159","","","","has coordinates","190650","2020-10-21","18:00:00",""
"7227474","44.778","0.005","5.5195","0.0006","8.2452","0.0009","90","","93.029","0.009","90","","2035","0.4","293","2","293","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","3-(4-phenoxyphenyl)-6-(p-tolyl)-1,2,4,5-tetrazine","","- C24 H22 N4 O -","- C24 H22 N4 O -","- C96 H88 N16 O4 -","4","1","","Fang, Zheng; Hu, Wen-Li; Liu, De-Yong; Yu, Chu-Yi; Hu, Xiang-Guo","Synthesis of tetrazines from gem-difluoroalkenes under aerobic conditions at room temperature","Green Chem.","2017","19","5","1299","","10.1039/C6GC03494B","","","0.71073","MoKα","","0.1254","0.0942","","","0.2486","0.2688","","","","","","1.085","","","","has coordinates","195139","2020-10-21","18:00:00",""
"7227475","4.8044","0.0003","34.603","0.003","9.8785","0.0007","90","","100.443","0.007","90","","1615.1","0.2","293","2","293","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","3,6-bis(4-bromophenyl)-1,2,4,5-tetrazine","","- C16 H12 Br2 N4 -","- C16 H12 Br2 N4 -","- C64 H48 Br8 N16 -","4","1","","Fang, Zheng; Hu, Wen-Li; Liu, De-Yong; Yu, Chu-Yi; Hu, Xiang-Guo","Synthesis of tetrazines from gem-difluoroalkenes under aerobic conditions at room temperature","Green Chem.","2017","19","5","1299","","10.1039/C6GC03494B","","","0.71073","MoKα","","0.1105","0.0744","","","0.2029","0.2436","","","","","","1.04","","","","has coordinates","195139","2020-10-21","18:00:00",""
"7227476","16.8878","0.0011","13.8408","0.0013","14.4153","0.0013","90","","109.557","0.002","90","","3175.1","0.5","173","2","173","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C73 H49 B2 Cl3 F4 N10 O4 -","- C73 H49 B2 Cl3 F4 N10 O4 -","- C146 H98 B4 Cl6 F8 N20 O8 -","2","0.5","","Mazel, Antoine; Baudron, Stéphane A.; Hosseini, Mir Wais","AzaBODIPY based coordination polymers","CrystEngComm","2017","19","6","897","","10.1039/C6CE02582J","","","0.71073","MoKα","","0.1405","0.0761","","","0.1762","0.2059","","","","","","1.039","","","","has coordinates","193757","2020-10-21","18:00:00",""
"7227477","14.4266","0.0005","16.319","0.0006","27.6414","0.0011","90","","90","","90","","6507.6","0.4","173","2","173","2","","","","","","","","7","P n n a","-P 2a 2bc","52","","","","- C148 H104 Ag2 B6 F16 N20 O9 -","- C148 H96 Ag2 B6 F16 N20 O9 -","- C296 H192 Ag4 B12 F32 N40 O18 -","2","0.25","","Mazel, Antoine; Baudron, Stéphane A.; Hosseini, Mir Wais","AzaBODIPY based coordination polymers","CrystEngComm","2017","19","6","897","","10.1039/C6CE02582J","","","0.71073","MoKα","","0.1281","0.0635","","","0.1782","0.2147","","","","","","1.054","","","","has coordinates","193757","2020-10-21","18:00:00",""
"7227478","9.1444","0.0008","12.27","0.0008","13.4648","0.001","110.287","0.002","95.118","0.003","90.687","0.003","1409.92","0.19","173","2","173","2","","","","","","","","4","P -1","-P 1","2","","","","- C36 H25 N5 O2 -","- C36 H25 N5 O2 -","- C72 H50 N10 O4 -","2","1","","Mazel, Antoine; Baudron, Stéphane A.; Hosseini, Mir Wais","AzaBODIPY based coordination polymers","CrystEngComm","2017","19","6","897","","10.1039/C6CE02582J","","","0.71073","MoKα","","0.1637","0.077","","","0.1371","0.1643","","","","","","1.036","","","","has coordinates","193757","2020-10-21","18:00:00",""
"7227479","29.311","0.0013","15.3218","0.0005","18.7508","0.0007","90","","110.666","0.003","90","","7879.1","0.5","173","2","173","2","","","","","","","","7","C 1 2/c 1","-C 2yc","15","","","","- C36 H24 Ag B2 F6 N5 O2 -","- C36 H24 Ag B2 F6 N5 O2 -","- C288 H192 Ag8 B16 F48 N40 O16 -","8","1","","Mazel, Antoine; Baudron, Stéphane A.; Hosseini, Mir Wais","AzaBODIPY based coordination polymers","CrystEngComm","2017","19","6","897","","10.1039/C6CE02582J","","","0.71073","MoKα","","0.0843","0.0532","","","0.16","0.1822","","","","","","1.042","","","","has coordinates,has disorder","193757","2020-10-21","18:00:00",""
"7227480","16.9698","0.0008","12.9677","0.0007","13.8541","0.0008","90","","108.953","0.002","90","","2883.4","0.3","173","2","173","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C36 H24 B F2 N5 O2 -","- C36 H24 B F2 N5 O2 -","- C144 H96 B4 F8 N20 O8 -","4","1","","Mazel, Antoine; Baudron, Stéphane A.; Hosseini, Mir Wais","AzaBODIPY based coordination polymers","CrystEngComm","2017","19","6","897","","10.1039/C6CE02582J","","","0.71073","MoKα","","0.1289","0.0642","","","0.1339","0.1576","","","","","","1.032","","","","has coordinates","193757","2020-10-21","18:00:00",""
"7227481","18.8302","0.0003","13.26542","0.00018","18.4305","0.0002","90","","105.958","0.0014","90","","4426.36","0.11","100","2","100","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","PCBM-C60","PCBM*1-MN","","- C83 H24 O2 -","- C83 H24 O2 -","- C332 H96 O8 -","4","1","","Xue, Hong-Tao; Boschetto, Gabriele; Krompiec, Michal; Morse, Graham E.; Tang, Fu-Ling; Skylaris, Chris-Kriton","Linear-scaling density functional simulations of the effect of crystallographic structure on the electronic and optical properties of fullerene solvates.","Physical chemistry chemical physics : PCCP","2017","19","7","5617","5628","10.1039/c6cp08165g","","","1.54178","CuKα","","0.0758","0.0687","","","0.1817","0.1921","","","","","","1.032","","","","has coordinates","193915","2020-10-21","18:00:00",""
"7227482","12.444","0.002","14.557","0.003","17.393","0.003","94.102","0.004","105.644","0.004","101.451","0.003","2947.4","0.9","293","","293","","","","","","","","","7","P -1","-P 1","2","","","","- C44 H72 Cu2 N16 O82 P2 W24 -","- C44 H64 Cu2 N16 O82 P2 W24 -","- C44 H64 Cu2 N16 O82 P2 W24 -","1","0.5","","Tian, Aixiang; Ni, Huaiping; Ji, Xuebin; Tian, Yan; Liu, Guocheng; Ying, Jun","Using a flexible bis(pyrazol) ligand to construct four new Keggin-based compounds: syntheses, structures and properties","RSC Adv.","2017","7","10","5774","","10.1039/C6RA25156K","","","0.71073","MoKα","","0.1184","0.0705","","","0.1829","0.2172","","","","","","1.015","","","","has coordinates","190774","2020-10-21","18:00:00",""
"7227483","11.3926","0.001","28.008","0.002","17.0586","0.0014","90","","95.775","0.002","90","","5415.5","0.8","293","2","293","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C22 H37 Cu N8 O42 P W12 -","- C22 H32 Cu N8 O42 P W12 -","- C88 H128 Cu4 N32 O168 P4 W48 -","4","1","","Tian, Aixiang; Ni, Huaiping; Ji, Xuebin; Tian, Yan; Liu, Guocheng; Ying, Jun","Using a flexible bis(pyrazol) ligand to construct four new Keggin-based compounds: syntheses, structures and properties","RSC Adv.","2017","7","10","5774","","10.1039/C6RA25156K","","","0.71073","MoKα","","0.0841","0.0435","","","0.0772","0.0896","","","","","","0.995","","","","has coordinates","190774","2020-10-21","18:00:00",""
"7227484","35.318","0.005","23.532","0.005","23.25","0.005","90","0.005","117.176","0.005","90","0.005","17190","6","293","2","293","2","","","","","","","","7","C 1 2/c 1","-C 2yc","15","","","","- C44 H100 Cu2 N16 O58 Si W12 -","- C44 H56 Cu2 N16 O41 Si W12 -","- C352 H448 Cu16 N128 O328 Si8 W96 -","8","1","","Tian, Aixiang; Ni, Huaiping; Ji, Xuebin; Tian, Yan; Liu, Guocheng; Ying, Jun","Using a flexible bis(pyrazol) ligand to construct four new Keggin-based compounds: syntheses, structures and properties","RSC Adv.","2017","7","10","5774","","10.1039/C6RA25156K","","","0.71069","MoKα","","0.084","0.047","","","0.1087","0.125","","","","","","0.97","","","","has coordinates","190774","2020-10-21","18:00:00",""
"7227485","15.2377","0.0013","18.6736","0.0016","25.291","0.002","90","","97.928","0.002","90","","7127.6","1","293","2","293","2","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C33 H56 Cu2 N12 O44 Si W12 -","- C33 H46 Cu2 N12 O44 Si W12 -","- C132 H184 Cu8 N48 O176 Si4 W48 -","4","1","","Tian, Aixiang; Ni, Huaiping; Ji, Xuebin; Tian, Yan; Liu, Guocheng; Ying, Jun","Using a flexible bis(pyrazol) ligand to construct four new Keggin-based compounds: syntheses, structures and properties","RSC Adv.","2017","7","10","5774","","10.1039/C6RA25156K","","","0.71073","MoKα","","0.079","0.0402","","","0.0704","0.0805","","","","","","0.986","","","","has coordinates","190774","2020-10-21","18:00:00",""
"7227486","9.5976","0.0005","11.9814","0.0009","21.8713","0.0011","90","","100.945","0.004","90","","2469.3","0.3","173","2","173","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C16 H34 Cl3 Cu K O9 -","- C16 H34 Cl3 Cu K O9 -","- C64 H136 Cl12 Cu4 K4 O36 -","4","1","","van Well, Natalija; Bolte, Michael; Delley, Bernard; Wolf, Bernd; Lang, Michael; Schefer, Jürg; Rüegg, Christian; Assmus, Wolf; Krellner, Cornelius","Interplay between structure and magnetism in the low-dimensional spin system: K(C8H16O4)2CuCl3·H2O","CrystEngComm","2017","19","7","1028","","10.1039/C6CE02331B","","","0.71073","MoKα","","0.0575","0.0515","","","0.1245","0.1282","","","","","","1.061","","","","has coordinates","211177","2020-10-21","18:00:00",""
"7227487","49.6795","0.0009","49.6795","0.0009","23.7404","0.0008","90","","90","","120","","50743","2","173","2","173","","","","","","","","","7","R -3","-R 3","148","","","","- C24 H45 N12 Ni2 O42 Si W11 -","- C24 H37 N12 Ni2 O40 Si W11 -","- C432 H666 N216 Ni36 O720 Si18 W198 -","18","","","Jiao, Yan-Qing; Li, Meng-Ting; Qin, Chao; Su, Zhong-Min","A noncovalently connected metal‒organic framework assembled from a Ni(iii)-supported polyoxometalate‒imidazolate hybrid","CrystEngComm","2017","19","13","1721","","10.1039/C6CE02420C","","","0.71073","MoKα","","0.0531","0.0379","","","0.1015","0.1077","","","","","","1.116","","","","has coordinates,has disorder","195022","2020-10-21","18:00:00",""
"7227488","8.0218","0.0008","10.0798","0.001","11.6154","0.0012","83.984","0.001","83.174","0.001","76.697","0.001","904.6","0.16","296","2","296","2","","","","","","","","4","P -1","-P 1","2","","","","- C36 H26 N20 Zn2 -","- C36 H26 N20 Zn2 -","- C36 H26 N20 Zn2 -","1","0.5","","Wei, Qin; Wei, Mei-Juan; Ou, Yan-Jun; Zhang, Ji-Yuan; Huang, Xia; Cai, Yue-Peng; Si, Li-Ping","Formation and conversion of six temperature-dependent fluorescent ZnII-complexes containing two in situ formed N-rich heterocyclic ligands","RSC Adv.","2017","7","12","6994","","10.1039/C6RA25678C","","","0.71073","MoKα","","0.0633","0.0483","","","0.1387","0.1501","","","","","","1.032","","","","has coordinates","190819","2020-10-21","18:00:00",""
"7227489","18.13","0.003","18.615","0.003","13.827","0.002","90","","128.341","0.002","90","","3660.1","1","293","2","293","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C18 H14 N10 Zn -","- C18 H14 N10 Zn -","- C144 H112 N80 Zn8 -","8","1","","Wei, Qin; Wei, Mei-Juan; Ou, Yan-Jun; Zhang, Ji-Yuan; Huang, Xia; Cai, Yue-Peng; Si, Li-Ping","Formation and conversion of six temperature-dependent fluorescent ZnII-complexes containing two in situ formed N-rich heterocyclic ligands","RSC Adv.","2017","7","12","6994","","10.1039/C6RA25678C","","","0.71073","MoKα","","0.0825","0.0455","","","0.1137","0.1343","","","","","","1.021","","","","has coordinates","190819","2020-10-21","18:00:00",""
"7227490","8.73","0.002","13.047","0.004","15.56","0.004","90","","96.344","0.003","90","","1761.4","0.8","296","2","296","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C36 H26 Cl4 N8 Zn2 -","- C36 H26 Cl4 N8 Zn2 -","- C72 H52 Cl8 N16 Zn4 -","2","0.5","","Wei, Qin; Wei, Mei-Juan; Ou, Yan-Jun; Zhang, Ji-Yuan; Huang, Xia; Cai, Yue-Peng; Si, Li-Ping","Formation and conversion of six temperature-dependent fluorescent ZnII-complexes containing two in situ formed N-rich heterocyclic ligands","RSC Adv.","2017","7","12","6994","","10.1039/C6RA25678C","","","0.71073","MoKα","","0.0564","0.0395","","","0.1007","0.1099","","","","","","1.052","","","","has coordinates","190819","2020-10-21","18:00:00",""
"7227491","22.85","0.03","14.997","0.018","14.976","0.019","90","","127.339","0.014","90","","4080","9","298","2","298","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C36 H28 Cl4 N8 O Zn2 -","- C36 H26 Cl4 N8 Zn2 -","- C144 H104 Cl16 N32 Zn8 -","4","0.5","","Wei, Qin; Wei, Mei-Juan; Ou, Yan-Jun; Zhang, Ji-Yuan; Huang, Xia; Cai, Yue-Peng; Si, Li-Ping","Formation and conversion of six temperature-dependent fluorescent ZnII-complexes containing two in situ formed N-rich heterocyclic ligands","RSC Adv.","2017","7","12","6994","","10.1039/C6RA25678C","","","0.71073","MoKα","","0.0863","0.0515","","","0.1102","0.1239","","","","","","1.057","","","","has coordinates","190819","2020-10-21","18:00:00",""
"7227492","8.884","0.002","19.73","0.005","21.404","0.006","90","","93.623","0.004","90","","3744.2","1.6","296","2","296","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C36 H26 N20 Zn2 -","- C36 H26 N20 Zn2 -","- C144 H104 N80 Zn8 -","4","1","","Wei, Qin; Wei, Mei-Juan; Ou, Yan-Jun; Zhang, Ji-Yuan; Huang, Xia; Cai, Yue-Peng; Si, Li-Ping","Formation and conversion of six temperature-dependent fluorescent ZnII-complexes containing two in situ formed N-rich heterocyclic ligands","RSC Adv.","2017","7","12","6994","","10.1039/C6RA25678C","","","0.71073","MoKα","","0.1211","0.06","","","0.1514","0.1849","","","","","","1.05","","","","has coordinates","190819","2020-10-21","18:00:00",""
"7227493","7.229","0.003","14.023","0.006","19.027","0.007","90","","95.403","0.005","90","","1920.2","1.3","298","2","298","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C18 H14 Cl2 N4 Zn -","- C18 H14 Cl2 N4 Zn -","- C72 H56 Cl8 N16 Zn4 -","4","1","","Wei, Qin; Wei, Mei-Juan; Ou, Yan-Jun; Zhang, Ji-Yuan; Huang, Xia; Cai, Yue-Peng; Si, Li-Ping","Formation and conversion of six temperature-dependent fluorescent ZnII-complexes containing two in situ formed N-rich heterocyclic ligands","RSC Adv.","2017","7","12","6994","","10.1039/C6RA25678C","","","0.71073","MoKα","","0.0432","0.032","","","0.0748","0.0809","","","","","","1.027","","","","has coordinates","190819","2020-10-21","18:00:00",""
"7227494","9.6659","0.0019","10.381","0.002","23.145","0.005","82.71","0.03","81.94","0.03","83.31","0.03","2269.3","0.8","293","2","293","2","","","","","","","","7","P -1","-P 1","2","","","","- C45 H29 F9 Gd N3 O6 S3 -","- C45 H29 F9 Gd N3 O6 S3 -","- C90 H58 F18 Gd2 N6 O12 S6 -","2","1","","Liu, Lin; Fu, Guorui; Li, Baoning; Lü, Xingqiang; Wong, Wai-Kwok; Jones, Richard A.","Single-component Eu3±-Tb3±-Gd3±grafted polymer with ultra-high color rendering index white-light emission","RSC Adv.","2017","7","11","6762","","10.1039/C6RA26724F","","","0.71073","MoKα","","0.0811","0.0564","","","0.1389","0.1476","","","","","","1.056","","","","has coordinates","190820","2020-10-21","18:00:00",""
"7227495","9.672","0.0009","13.729","0.001","13.997","0.001","94.881","0.004","102.916","0.003","101.498","0.003","1758.8","0.2","183.1","","","","","","","","","","","6","P -1","-P 1","2","","","","- C28 H28 Cu2 Dy N5 O20 -","- C28 H28 Cu2 Dy N5 O20 -","- C56 H56 Cu4 Dy2 N10 O40 -","2","1","","Han, Zhisong; Peng, Jun; Liu, Li; Wang, Gang; Yu, Feng; Guo, Xuhong","Few-layer TiO2‒B nanosheets with N-doped graphene nanosheets as a highly robust anode for lithium-ion batteries","RSC Adv.","2017","7","13","7864","","10.1039/C6RA26929J","","","0.7107","MoKα","","","0.0321","","","","0.0957","","","","","","1.001","","","","has coordinates","190872","2020-10-21","18:00:00",""
"7227496","12.039","0.002","12.503","0.003","13.461","0.003","94.26","0.03","95.68","0.03","110.43","0.03","1876.5","0.8","301","2","301","2","","","","","","","","6","P -1","-P 1","2","","","","- C38 H29 Cl4 N4 O6 Re -","- C38 H29 Cl4 N4 O6 Re -","- C76 H58 Cl8 N8 O12 Re2 -","2","1","","Han, Zhisong; Peng, Jun; Liu, Li; Wang, Gang; Yu, Feng; Guo, Xuhong","Few-layer TiO2‒B nanosheets with N-doped graphene nanosheets as a highly robust anode for lithium-ion batteries","RSC Adv.","2017","7","13","7864","","10.1039/C6RA26929J","","","0.71069","MoKα","","0.0524","0.0428","","","0.1213","0.1337","","","","","","1.111","","","","has coordinates","190872","2020-10-21","18:00:00",""
"7227497","15.16","0.0009","10.0435","0.0004","16.1525","0.0009","90","","109.81","0.006","90","","2313.8","0.2","180","0.1","180","0.1","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C20 H15 F6 N O4 S3 -","- C20 H15 F6 N O4 S3 -","- C80 H60 F24 N4 O16 S12 -","4","1","","Siu, Benjamin; Cassity, Cody G.; Benchea, Adela; Hamby, Taylor; Hendrich, Jeffrey; Strickland, Katie J.; Wierzbicki, Andrzej; Sykora, Richard E.; Salter, E. Alan; O'Brien, Richard A.; West, Kevin N.; Davis, James H.","Thermally robust: triarylsulfonium ionic liquids stable in air for 90 days at 300 °C","RSC Adv.","2017","7","13","7623","","10.1039/C6RA25774G","","x-ray","0.71073","MoKα","","0.0441","0.0344","","","0.0804","0.0866","","","","","","1.042","","","","has coordinates","287931","2023-12-01","12:37:00",""
"7227498","16.3379","0.0004","10.9218","0.0003","15.1158","0.0004","90","","106.795","0.003","90","","2582.2","0.12","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C31 H24 N4 O2 Pd -","- C31 H24 N4 O2 Pd -","- C124 H96 N16 O8 Pd4 -","4","1","","Kumar, Pramod; Kumar, Vijay; Gupta, Rajeev","Selective fluorescent turn-off sensing of Pd2+ ion: applications as paper strips, polystyrene films, and in cell imaging","RSC Adv.","2017","7","13","7734","","10.1039/C6RA27565F","","","0.71073","MoKα","","0.0692","0.0442","","","0.0818","0.0909","","","","","","0.98","","","","has coordinates","190874","2020-10-21","18:00:00",""
"7227499","12.466","0.009","9.358","0.006","18.136","0.013","90","","90","","90","","2116","3","293","2","293","2","","","","","","","","4","P n m a","-P 2ac 2n","62","","","","- Ba8 Ga2 Se18 Sn7 -","- Ba8 Ga2 Se18 Sn7 -","- Ba16 Ga4 Se36 Sn14 -","2","0.25","","Li, Yan-Yan; Wang, Jin-Qiu; Liu, Peng-Fei; Lin, Hua; Chen, Ling; Wu, Li-Ming","Centrosymmetric to noncentrosymmetric structural transformation of new quaternary selenides induced by isolated dimeric [Sn2Se4] units: from Ba8Ga2Sn7Se18 to Ba10Ga2Sn9Se22","RSC Adv.","2017","7","14","8082","","10.1039/C6RA27253C","","","0.71073","MoKα","","0.049","0.0415","","","0.092","0.0959","","","","","","1.137","","","","has coordinates","190876","2020-10-21","18:00:00",""
"7227500","9.3844","0.0011","44.834","0.006","12.4159","0.0016","90","","90","","90","","5223.9","1.1","293","2","293","2","","","","","","","","4","C m c 21","C 2c -2","36","","","","- Ba10 Ga2 Se22 Sn9 -","- Ba10 Ga2 Se22 Sn9 -","- Ba40 Ga8 Se88 Sn36 -","4","0.5","","Li, Yan-Yan; Wang, Jin-Qiu; Liu, Peng-Fei; Lin, Hua; Chen, Ling; Wu, Li-Ming","Centrosymmetric to noncentrosymmetric structural transformation of new quaternary selenides induced by isolated dimeric [Sn2Se4] units: from Ba8Ga2Sn7Se18 to Ba10Ga2Sn9Se22","RSC Adv.","2017","7","14","8082","","10.1039/C6RA27253C","","","0.71073","MoKα","","0.048","0.0418","","","0.0873","0.0897","","","","","","0.981","","","","has coordinates","190876","2020-10-21","18:00:00",""
"7227501","9.7939","0.0015","10.1887","0.0017","12.694","0.002","112.876","0.005","93.064","0.005","111.984","0.004","1052.5","0.3","273","2","273","2","","","","","","","","5","P -1","-P 1","2","","","","- C24 H23 N O3 S -","- C24 H23 N O3 S -","- C48 H46 N2 O6 S2 -","2","1","","Hou, Yunlei; Qin, Mingze; Yang, Xiuxiu; Shen, Qi; Zhao, Yanfang; Liu, Yajing; Gong, Ping","Palladium-catalyzed three-component tandem cyclization of buta-2,3-dien-1-ol, aryl iodides, and imines: an efficient protocol for the synthesis of oxazolidine derivatives","RSC Adv.","2017","7","12","7401","","10.1039/C6RA27993G","","","0.71073","MoKα","","0.0665","0.049","","","0.1299","0.1468","","","","","","1.009","","","","has coordinates","190877","2020-10-21","18:00:00",""
"7227502","8.3296","0.0001","12.7403","0.0001","14.5548","0.0002","90","","92.654","0.001","90","","1542.92","0.03","110","2","110","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C10 H4 Ag B Br4 F4 N2 -","- C10 H4 Ag B Br4 F4 N2 -","- C40 H16 Ag4 B4 Br16 F16 N8 -","4","1","","Aubert, E.; Abboud, M.; Doudouh, A.; Durand, P.; Peluso, P.; Ligresti, A.; Vigolo, B.; Cossu, S.; Pale, P.; Mamane, V.","Silver(i) coordination polymers with 3,3′,5,5′-tetrasubstituted 4,4′-bipyridine ligands: towards new porous chiral materials","RSC Adv.","2017","7","12","7358","","10.1039/C6RA28197D","","","0.7107","MoKα","","0.0369","0.0265","","","0.0639","0.0662","","","","","","1.057","","","","has coordinates","190878","2020-10-21","18:00:00",""
"7227503","15.1879","0.00013","22.0564","0.0017","11.4445","0.0001","90","","90","","90","","3833.8","0.3","110","2","110","2","","","","","","","","8","C m c e","-C 2ac 2","64","","","","- C11 H4 Ag Br4 F3 N2 O3 S -","- C11 H4 Ag Br4 F3 N2 O3 S -","- C88 H32 Ag8 Br32 F24 N16 O24 S8 -","8","0.5","","Aubert, E.; Abboud, M.; Doudouh, A.; Durand, P.; Peluso, P.; Ligresti, A.; Vigolo, B.; Cossu, S.; Pale, P.; Mamane, V.","Silver(i) coordination polymers with 3,3′,5,5′-tetrasubstituted 4,4′-bipyridine ligands: towards new porous chiral materials","RSC Adv.","2017","7","12","7358","","10.1039/C6RA28197D","","","1.54184","CuKα","","0.0205","0.0201","","","0.0548","0.0551","","","","","","1.059","","","","has coordinates","190878","2020-10-21","18:00:00",""
"7227504","11.405","0.0001","11.119","0.0001","23.0313","0.0003","90","","97.927","0.001","90","","2892.74","0.05","110","2","110","2","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C25.5 H22 Ag Br2 N3 O6.5 -","- C25.5 H22 Ag Br2 N3 O6.5 -","- C102 H88 Ag4 Br8 N12 O26 -","4","2","","Aubert, E.; Abboud, M.; Doudouh, A.; Durand, P.; Peluso, P.; Ligresti, A.; Vigolo, B.; Cossu, S.; Pale, P.; Mamane, V.","Silver(i) coordination polymers with 3,3′,5,5′-tetrasubstituted 4,4′-bipyridine ligands: towards new porous chiral materials","RSC Adv.","2017","7","12","7358","","10.1039/C6RA28197D","","","0.71073","MoKα","","0.0619","0.0592","","","0.1482","0.1495","","","","","","1.163","","","","has coordinates","190878","2020-10-21","18:00:00",""
"7227505","11.5735","0.0001","30.6737","0.0002","13.4661","0.0001","90","","108.102","0.001","90","","4543.88","0.07","110","2","110","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C48 H36 Ag Br4 N5 O7 -","- C48 H36 Ag Br4 N5 O7 -","- C192 H144 Ag4 Br16 N20 O28 -","4","1","","Aubert, E.; Abboud, M.; Doudouh, A.; Durand, P.; Peluso, P.; Ligresti, A.; Vigolo, B.; Cossu, S.; Pale, P.; Mamane, V.","Silver(i) coordination polymers with 3,3′,5,5′-tetrasubstituted 4,4′-bipyridine ligands: towards new porous chiral materials","RSC Adv.","2017","7","12","7358","","10.1039/C6RA28197D","","","1.5418","CuKα","","0.0272","0.0269","","","0.0631","0.0632","","","","","","1.051","","","","has coordinates","190878","2020-10-21","18:00:00",""
"7227506","7.1747","0.0001","11.7418","0.0001","16.5245","0.0001","90","","92.237","0.001","90","","1391.03","0.02","110","2","110","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C10 H4 Ag Cl4 N3 O3 -","- C10 H4 Ag Cl4 N3 O3 -","- C40 H16 Ag4 Cl16 N12 O12 -","4","1","","Aubert, E.; Abboud, M.; Doudouh, A.; Durand, P.; Peluso, P.; Ligresti, A.; Vigolo, B.; Cossu, S.; Pale, P.; Mamane, V.","Silver(i) coordination polymers with 3,3′,5,5′-tetrasubstituted 4,4′-bipyridine ligands: towards new porous chiral materials","RSC Adv.","2017","7","12","7358","","10.1039/C6RA28197D","","","0.71073","MoKα","","0.0254","0.0193","","","0.0438","0.0459","","","","","","1.036","","","","has coordinates","190878","2020-10-21","18:00:00",""
"7227507","11.53665","0.00013","7.59398","0.0001","35.9275","0.0004","90","","95.6775","0.001","90","","3132.14","0.06","110","2","110","2","","","","","","","","7","P 1 2/c 1","-P 2yc","13","","","","- C50 H20 Ag B Cl20 F4 N10 -","- C50 H20 Ag B Cl20 F4 N10 -","- C100 H40 Ag2 B2 Cl40 F8 N20 -","2","0.5","","Aubert, E.; Abboud, M.; Doudouh, A.; Durand, P.; Peluso, P.; Ligresti, A.; Vigolo, B.; Cossu, S.; Pale, P.; Mamane, V.","Silver(i) coordination polymers with 3,3′,5,5′-tetrasubstituted 4,4′-bipyridine ligands: towards new porous chiral materials","RSC Adv.","2017","7","12","7358","","10.1039/C6RA28197D","","","1.54184","CuKα","","0.0277","0.0245","","","0.0672","0.0681","","","","","","1.137","","","","has coordinates","190878","2020-10-21","18:00:00",""
"7227508","12.2195","0.0002","12.5892","0.0002","13.8909","0.0002","88.31","0.002","78.533","0.002","61.721","0.002","1839.1","0.06","110","2","110","2","","","","","","","","8","P -1","-P 1","2","","","","- C24 H14 Ag2 Cl8 F6 N4 O7 S2 -","- C24 H14 Ag2 Cl8 F6 N4 O7 S2 -","- C48 H28 Ag4 Cl16 F12 N8 O14 S4 -","2","1","","Aubert, E.; Abboud, M.; Doudouh, A.; Durand, P.; Peluso, P.; Ligresti, A.; Vigolo, B.; Cossu, S.; Pale, P.; Mamane, V.","Silver(i) coordination polymers with 3,3′,5,5′-tetrasubstituted 4,4′-bipyridine ligands: towards new porous chiral materials","RSC Adv.","2017","7","12","7358","","10.1039/C6RA28197D","","","1.5418","CuKα","","0.0213","0.0206","","","0.0525","0.0528","","","","","","1.048","","","","has coordinates","190878","2020-10-21","18:00:00",""
"7227509","21.9475","0.0006","7.8051","0.0002","19.9629","0.0005","90","","107.285","0.003","90","","3265.26","0.16","110","2","110","2","","","","","","","","7","C 1 2/c 1","-C 2yc","15","","","","- C10 H6 Ag Br2 I2 N3 O4 -","- C10 H6 Ag Br2 I2 N3 O4 -","- C80 H48 Ag8 Br16 I16 N24 O32 -","8","1","","Aubert, E.; Abboud, M.; Doudouh, A.; Durand, P.; Peluso, P.; Ligresti, A.; Vigolo, B.; Cossu, S.; Pale, P.; Mamane, V.","Silver(i) coordination polymers with 3,3′,5,5′-tetrasubstituted 4,4′-bipyridine ligands: towards new porous chiral materials","RSC Adv.","2017","7","12","7358","","10.1039/C6RA28197D","","","1.5418","CuKα","","0.0383","0.0379","","","0.0904","0.0905","","","","","","1.218","","","","has coordinates","190878","2020-10-21","18:00:00",""
"7227510","7.40984","0.00006","12.03342","0.00009","16.56423","0.00014","90","","94.4891","0.0007","90","","1472.43","0.02","110","2","110","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C10 H4 Ag Br4 N3 O3 -","- C10 H4 Ag Br4 N3 O3 -","- C40 H16 Ag4 Br16 N12 O12 -","4","1","","Aubert, E.; Abboud, M.; Doudouh, A.; Durand, P.; Peluso, P.; Ligresti, A.; Vigolo, B.; Cossu, S.; Pale, P.; Mamane, V.","Silver(i) coordination polymers with 3,3′,5,5′-tetrasubstituted 4,4′-bipyridine ligands: towards new porous chiral materials","RSC Adv.","2017","7","12","7358","","10.1039/C6RA28197D","","","0.71073","MoKα","","0.0301","0.0242","","","0.0562","0.0578","","","","","","1.02","","","","has coordinates","190878","2020-10-21","18:00:00",""
"7227511","7.0404","0.0001","11.1885","0.0002","11.4664","0.0001","69.987","0.001","76.954","0.001","75.036","0.001","810.46","0.02","110","2","110","2","","","","","","","","7","P -1","-P 1","2","","","","- C10 H6 Ag Cl2 I2 N3 O4 -","- C10 H6 Ag Cl2 I2 N3 O4 -","- C20 H12 Ag2 Cl4 I4 N6 O8 -","2","1","","Aubert, E.; Abboud, M.; Doudouh, A.; Durand, P.; Peluso, P.; Ligresti, A.; Vigolo, B.; Cossu, S.; Pale, P.; Mamane, V.","Silver(i) coordination polymers with 3,3′,5,5′-tetrasubstituted 4,4′-bipyridine ligands: towards new porous chiral materials","RSC Adv.","2017","7","12","7358","","10.1039/C6RA28197D","","","0.71073","MoKα","","0.0331","0.0274","","","0.0582","0.0602","","","","","","1.158","","","","has coordinates","190878","2020-10-21","18:00:00",""
"7227512","13.8267","0.0001","11.6089","0.0001","25.4608","0.0003","90","","106.841","0.001","90","","3911.51","0.07","110","2","110","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C30 H12 Ag Cl12 N7 O3 -","- C30 H12 Ag Cl12 N7 O3 -","- C120 H48 Ag4 Cl48 N28 O12 -","4","1","","Aubert, E.; Abboud, M.; Doudouh, A.; Durand, P.; Peluso, P.; Ligresti, A.; Vigolo, B.; Cossu, S.; Pale, P.; Mamane, V.","Silver(i) coordination polymers with 3,3′,5,5′-tetrasubstituted 4,4′-bipyridine ligands: towards new porous chiral materials","RSC Adv.","2017","7","12","7358","","10.1039/C6RA28197D","","","0.71073","MoKα","","0.0343","0.0283","","","0.063","0.0657","","","","","","1.087","","","","has coordinates","190878","2020-10-21","18:00:00",""
"7227513","11.9096","0.001","5.5828","0.0004","17.2361","0.0015","90","","102.291","0.009","90","","1119.74","0.16","100","2","100","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","Picolinic acid : Nicotinamide","","- C12 H11 N3 O3 -","- C12 H11 N3 O3 -","- C48 H44 N12 O12 -","4","1","","Ganduri, Ramesh; Cherukuvada, Suryanarayan; Sarkar, Sounak; Guru Row, Tayur N.","Manifestation of cocrystals and eutectics among structurally related molecules: towards understanding the factors that control their formation","CrystEngComm","2017","19","7","1123","","10.1039/C6CE02003H","","","0.71073","MoKα","","0.0886","0.0704","","","0.1707","0.179","","","","","","1.138","","","","has coordinates","193766","2020-10-21","18:00:00",""
"7227514","6.9822","0.0004","7.1747","0.0005","12.7208","0.0009","76.298","0.006","83.08","0.005","69.036","0.006","577.68","0.07","100","2","100","2","","","","","","","","4","P -1","-P 1","2","","Picolinic acid : Isonicotinamide","","- C12 H11 N3 O3 -","- C12 H11 N3 O3 -","- C24 H22 N6 O6 -","2","1","","Ganduri, Ramesh; Cherukuvada, Suryanarayan; Sarkar, Sounak; Guru Row, Tayur N.","Manifestation of cocrystals and eutectics among structurally related molecules: towards understanding the factors that control their formation","CrystEngComm","2017","19","7","1123","","10.1039/C6CE02003H","","","0.71073","MoKα","","0.0718","0.0499","","","0.1145","0.1295","","","","","","1.05","","","","has coordinates","193766","2020-10-21","18:00:00",""
"7227515","26.886","0.003","10.6027","0.0018","16.7359","0.0018","90","","119.293","0.002","90","","4160.8","1","296","2","296","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","S3","","","- C24 H23 N3 O S -","- C24 H23 N3 O S -","- C192 H184 N24 O8 S8 -","8","1","","Fang, Wenyan; Zhang, Yuyang; Zhang, Gaobin; Kong, Lin; Yang, Longmei; Yang, Jiaxiang","Multi-stimuli-responsive fluorescence of a highly emissive difluoroboron complex in both solution and solid states","CrystEngComm","2017","19","9","1294","","10.1039/C6CE02376B","","","0.71073","MoKα","","0.053","0.0396","","","0.1093","0.1184","","","","","","1.074","","","","has coordinates","193770","2020-10-21","18:00:00",""
"7227516","6.5","0.007","26.53","0.03","12.8","0.013","90","","104.287","0.014","90","","2139","4","296","2","296","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","22","","- C24 H22 B F2 N3 O S -","- C24 H22 B F2 N3 O S -","- C96 H88 B4 F8 N12 O4 S4 -","4","1","","Fang, Wenyan; Zhang, Yuyang; Zhang, Gaobin; Kong, Lin; Yang, Longmei; Yang, Jiaxiang","Multi-stimuli-responsive fluorescence of a highly emissive difluoroboron complex in both solution and solid states","CrystEngComm","2017","19","9","1294","","10.1039/C6CE02376B","","","0.71073","MoKα","","0.1108","0.0766","","","0.2161","0.2566","","","","","","0.977","","","","has coordinates","193770","2020-10-21","18:00:00",""
"7227517","6.025","0.018","6.025","0.018","26.95","0.08","90","","90","","90","","978","5","173","","173","","","","","","","","","5","I 41/a m d","-I 4bd 2","141","","","","- C6 H4 Co N6 O4 -","- C6 H4 Co N6 O4 -","- C24 H16 Co4 N24 O16 -","4","","","Orsi, Angelica; Price, David J.; Kahr, Jürgen; Pillai, Renjith S.; Sneddon, Scott; Cao, Shuai; Benoit, Virginie; Łozińska, Magdalena M.; Cordes, David B.; Slawin, Alexandra M. Z.; Llewellyn, Philip L.; Casely, Ian; Ashbrook, Sharon E.; Maurin, Guillaume; Wright, Paul A.","Porous zinc and cobalt 2-nitroimidazolate frameworks with six-membered ring windows and a layered cobalt 2-nitroimidazolate polymorph","CrystEngComm","2017","19","10","1377","","10.1039/C6CE02476A","","","1.54187","CuKα","","0.1173","0.0977","","","0.2787","0.2973","","","","","","1.205","","","","has coordinates","195019","2020-10-21","18:00:00",""
"7227518","8.462","0.008","14.549","0.015","18.799","0.018","90","","90","","90","","2314","4","173","2","173","2","","","","","","","","5","P c c n","-P 2ab 2ac","56","","","","- C6 H4 N6 O4 Zn -","- C6 H4 N6 O4 Zn -","- C48 H32 N48 O32 Zn8 -","8","1","","Orsi, Angelica; Price, David J.; Kahr, Jürgen; Pillai, Renjith S.; Sneddon, Scott; Cao, Shuai; Benoit, Virginie; Łozińska, Magdalena M.; Cordes, David B.; Slawin, Alexandra M. Z.; Llewellyn, Philip L.; Casely, Ian; Ashbrook, Sharon E.; Maurin, Guillaume; Wright, Paul A.","Porous zinc and cobalt 2-nitroimidazolate frameworks with six-membered ring windows and a layered cobalt 2-nitroimidazolate polymorph","CrystEngComm","2017","19","10","1377","","10.1039/C6CE02476A","","","1.54187","CuKα","","0.1007","0.0942","","","0.1976","0.2008","","","","","","1.376","","","","has coordinates,has disorder","195019","2020-10-21","18:00:00",""
"7227519","11.0928","0.0002","12.4805","0.0002","15.1388","0.0002","81.463","0.001","83.416","0.001","64.133","0.001","1862.06","0.05","150","2","150","2","","","","","","","","7","P -1","-P 1","2","1-Sm","","","- C48 H72 Cu2 I2 N14 O23 Sm2 -","- C48 H72 Cu2 I2 N14 O23 Sm2 -","- C48 H72 Cu2 I2 N14 O23 Sm2 -","1","0.5","","Hu, Yue-Qiao; Zhang, Tao; Li, Mu-Qing; Wang, Yanyan; Zheng, Zhiping; Zheng, Yan-Zhen","Copper(i)/(ii)-redox triggered efficient and green rare-earth separation using a heterometallic metal‒organic framework","Green Chem.","2017","19","5","1250","","10.1039/C6GC02833K","","","0.71073","MoKα","","0.0279","0.0245","","","0.0764","0.0791","","","","","","1.024","","","","has coordinates","195138","2020-10-21","18:00:00",""
"7227520","11.1874","0.0008","12.6","0.0009","15.1798","0.0011","92.528","0.001","96.837","0.001","116.289","0.001","1893.5","0.2","150","2","150","2","","","","","","","","7","P -1","-P 1","2","1-Eu","","","- C48 H72 Cu2 Eu2 I2 N14 O23 -","- C48 H72 Cu2 Eu2 I2 N14 O23 -","- C48 H72 Cu2 Eu2 I2 N14 O23 -","1","0.5","","Hu, Yue-Qiao; Zhang, Tao; Li, Mu-Qing; Wang, Yanyan; Zheng, Zhiping; Zheng, Yan-Zhen","Copper(i)/(ii)-redox triggered efficient and green rare-earth separation using a heterometallic metal‒organic framework","Green Chem.","2017","19","5","1250","","10.1039/C6GC02833K","","","0.71073","MoKα","","0.0326","0.0274","","","0.0894","0.0975","","","","","","1.02","","","","has coordinates","195138","2020-10-21","18:00:00",""
"7227521","11.1994","0.0012","12.5884","0.0014","15.174","0.0017","92.438","0.002","96.979","0.002","116.308","0.001","1892.3","0.4","150","2","150","2","","","","","","","","7","P -1","-P 1","2","1-Gd","","","- C48 H72 Cu2 Gd2 I2 N14 O23 -","- C48 H72 Cu2 Gd2 I2 N14 O23 -","- C48 H72 Cu2 Gd2 I2 N14 O23 -","1","0.5","","Hu, Yue-Qiao; Zhang, Tao; Li, Mu-Qing; Wang, Yanyan; Zheng, Zhiping; Zheng, Yan-Zhen","Copper(i)/(ii)-redox triggered efficient and green rare-earth separation using a heterometallic metal‒organic framework","Green Chem.","2017","19","5","1250","","10.1039/C6GC02833K","","","0.71073","MoKα","","0.0291","0.0261","","","0.0796","0.0821","","","","","","1.024","","","","has coordinates","195138","2020-10-21","18:00:00",""
"7227522","11.2008","0.001","12.5798","0.0011","15.1576","0.0014","92.291","0.001","97.131","0.001","116.347","0.001","1888.2","0.3","150","2","150","2","","","","","","","","7","P -1","-P 1","2","1-Tb","","","- C48 H72 Cu2 I2 N14 O23 Tb2 -","- C48 H72 Cu2 I2 N14 O23 Tb2 -","- C48 H72 Cu2 I2 N14 O23 Tb2 -","1","0.5","","Hu, Yue-Qiao; Zhang, Tao; Li, Mu-Qing; Wang, Yanyan; Zheng, Zhiping; Zheng, Yan-Zhen","Copper(i)/(ii)-redox triggered efficient and green rare-earth separation using a heterometallic metal‒organic framework","Green Chem.","2017","19","5","1250","","10.1039/C6GC02833K","","","0.71073","MoKα","","0.0269","0.0249","","","0.0779","0.0799","","","","","","1.024","","","","has coordinates","195138","2020-10-21","18:00:00",""
"7227523","11.1272","0.0005","12.4509","0.0006","15.132","0.0007","81.365","0.001","82.847","0.001","63.926","0.001","1857.69","0.15","150","2","150","2","","","","","","","","7","P -1","-P 1","2","1-Dy","","","- C48 H72 Cu2 Dy2 I2 N14 O23 -","- C48 H72 Cu2 Dy2 I2 N14 O23 -","- C48 H72 Cu2 Dy2 I2 N14 O23 -","1","0.5","","Hu, Yue-Qiao; Zhang, Tao; Li, Mu-Qing; Wang, Yanyan; Zheng, Zhiping; Zheng, Yan-Zhen","Copper(i)/(ii)-redox triggered efficient and green rare-earth separation using a heterometallic metal‒organic framework","Green Chem.","2017","19","5","1250","","10.1039/C6GC02833K","","","0.71073","MoKα","","0.024","0.0222","","","0.0698","0.0713","","","","","","1.025","","","","has coordinates","195138","2020-10-21","18:00:00",""
"7227524","11.1399","0.0009","12.4564","0.001","15.1237","0.0012","81.32","0.001","82.723","0.001","63.883","0.001","1858.5","0.3","150","2","150","2","","","","","","","","7","P -1","-P 1","2","1-Ho","","","- C48 H72 Cu2 Ho2 I2 N14 O23 -","- C48 H72 Cu2 Ho2 I2 N14 O23 -","- C48 H72 Cu2 Ho2 I2 N14 O23 -","1","0.5","","Hu, Yue-Qiao; Zhang, Tao; Li, Mu-Qing; Wang, Yanyan; Zheng, Zhiping; Zheng, Yan-Zhen","Copper(i)/(ii)-redox triggered efficient and green rare-earth separation using a heterometallic metal‒organic framework","Green Chem.","2017","19","5","1250","","10.1039/C6GC02833K","","","0.71073","MoKα","","0.0232","0.0218","","","0.0705","0.0719","","","","","","1.029","","","","has coordinates","195138","2020-10-21","18:00:00",""
"7227525","11.2006","0.0009","12.5227","0.001","15.113","0.0013","92.084","0.001","97.414","0.001","116.45","0.001","1871.5","0.3","150","2","150","2","","","","","","","","7","P -1","-P 1","2","1-Er","","","- C48 H72 Cu2 Er2 I2 N14 O23 -","- C48 H72 Cu2 Er2 I2 N14 O23 -","- C48 H72 Cu2 Er2 I2 N14 O23 -","1","0.5","","Hu, Yue-Qiao; Zhang, Tao; Li, Mu-Qing; Wang, Yanyan; Zheng, Zhiping; Zheng, Yan-Zhen","Copper(i)/(ii)-redox triggered efficient and green rare-earth separation using a heterometallic metal‒organic framework","Green Chem.","2017","19","5","1250","","10.1039/C6GC02833K","","","0.71073","MoKα","","0.025","0.0228","","","0.0722","0.074","","","","","","1.047","","","","has coordinates","195138","2020-10-21","18:00:00",""
"7227526","11.1943","0.0004","12.4986","0.0004","15.077","0.0005","91.996","0.002","97.522","0.002","116.512","0.002","1861.03","0.11","150","2","150","2","","","","","","","","7","P -1","-P 1","2","1-Yb","","","- C48 H72 Cu2 I2 N14 O23 Yb2 -","- C48 H72 Cu2 I2 N14 O23 Yb2 -","- C48 H72 Cu2 I2 N14 O23 Yb2 -","1","0.5","","Hu, Yue-Qiao; Zhang, Tao; Li, Mu-Qing; Wang, Yanyan; Zheng, Zhiping; Zheng, Yan-Zhen","Copper(i)/(ii)-redox triggered efficient and green rare-earth separation using a heterometallic metal‒organic framework","Green Chem.","2017","19","5","1250","","10.1039/C6GC02833K","","","0.71073","MoKα","","0.0281","0.0248","","","0.078","0.081","","","","","","1.043","","","","has coordinates","195138","2020-10-21","18:00:00",""
"7227527","11.2135","0.0007","12.5387","0.0007","15.1202","0.0009","92.092","0.001","97.415","0.001","116.389","0.001","1877.91","0.19","150","2","150","2","","","","","","","","7","P -1","-P 1","2","1-Y","","","- C48 H72 Cu2 I2 N14 O23 Y2 -","- C48 H72 Cu2 I2 N14 O23 Y2 -","- C48 H72 Cu2 I2 N14 O23 Y2 -","1","0.5","","Hu, Yue-Qiao; Zhang, Tao; Li, Mu-Qing; Wang, Yanyan; Zheng, Zhiping; Zheng, Yan-Zhen","Copper(i)/(ii)-redox triggered efficient and green rare-earth separation using a heterometallic metal‒organic framework","Green Chem.","2017","19","5","1250","","10.1039/C6GC02833K","","","0.71073","MoKα","","0.0379","0.0322","","","0.1095","0.1141","","","","","","1.027","","","","has coordinates","195138","2020-10-21","18:00:00",""
"7227528","17.8961","0.0019","31.932","0.003","25.078","0.003","90","","90","","90","","14331","3","150","2","150","2","","","","","","","","8","C 2 2 21","C 2c 2","20","2-Pr","","","- C48 H40 Cu8 I8 N8 Na2 O25 Pr2 -","- C48 H40 Cu8 I8 N8 Na2 O25 Pr2 -","- C192 H160 Cu32 I32 N32 Na8 O100 Pr8 -","4","0.5","","Hu, Yue-Qiao; Zhang, Tao; Li, Mu-Qing; Wang, Yanyan; Zheng, Zhiping; Zheng, Yan-Zhen","Copper(i)/(ii)-redox triggered efficient and green rare-earth separation using a heterometallic metal‒organic framework","Green Chem.","2017","19","5","1250","","10.1039/C6GC02833K","","","0.71073","MoKα","","0.106","0.0862","","","0.2128","0.229","","","","","","1.06","","","","has coordinates","195138","2020-10-21","18:00:00",""
"7227529","17.889","0.002","31.835","0.004","24.831","0.003","90","","90","","90","","14141","3","150","2","150","2","","","","","","","","9","C 2 2 21","C 2c 2","20","2-Nd","","","- C48 H40 Cl0 Cu8 I8 N8 Na2 Nd2 O25 -","- C48 H40 Cu8 I8 N8 Na2 Nd2 O25 -","- C192 H160 Cu32 I32 N32 Na8 Nd8 O100 -","4","0.5","","Hu, Yue-Qiao; Zhang, Tao; Li, Mu-Qing; Wang, Yanyan; Zheng, Zhiping; Zheng, Yan-Zhen","Copper(i)/(ii)-redox triggered efficient and green rare-earth separation using a heterometallic metal‒organic framework","Green Chem.","2017","19","5","1250","","10.1039/C6GC02833K","","","0.71073","MoKα","","0.1594","0.0853","","","0.2168","0.2635","","","","","","1.071","","","","has coordinates","195138","2020-10-21","18:00:00",""
"7227530","30.225","0.003","16.6117","0.0011","31.83","0.002","90","","116.663","0.004","90","","14282","2","300","2","300","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C49 H22 Co F15 N6 O2 -","- C49 H22 Co F15 N6 O2 -","- C588 H264 Co12 F180 N72 O24 -","12","1.5","","Xu, Liang; Lei, Haitao; Zhang, Zongyao; Yao, Zhen; Li, Jianfeng; Yu, Zhiyong; Cao, Rui","The effect of the trans axial ligand of cobalt corroles on water oxidation activity in neutral aqueous solutions.","Physical chemistry chemical physics : PCCP","2017","19","15","9755","9761","10.1039/c6cp08495h","","","0.71073","MoKα","","0.1465","0.0994","","","0.2571","0.298","","","","","","1.089","","","","has coordinates","196524","2020-10-21","18:00:00",""
"7227531","9.181","0.003","9.435","0.003","18.057","0.005","97.901","0.005","104.26","0.005","102.17","0.005","1452","0.8","293","2","293","2","","","","","","","","7","P -1","-P 1","2","","k161003","","- C34 H27 F2 N O2 Pt Si -","- C34 H27 F2 N O2 Pt Si -","- C68 H54 F4 N2 O4 Pt2 Si2 -","2","1","","Cho, Yang-Jin; Kim, So-Yoen; Son, Ho-Jin; Cho, Dae Won; Kang, Sang Ook","Steric effect on excimer formation in planar Pt(ii) complexes.","Physical chemistry chemical physics : PCCP","2017","19","7","5486","5494","10.1039/c6cp08651a","","","0.71073","MoKα","","0.0358","0.03","","","0.0695","0.0851","","","","","","1.03","","","","has coordinates","193916","2020-10-21","18:00:00",""
"7227532","10.3177","0.0009","7.676","0.0007","19.0308","0.0016","90","","92.402","0.001","90","","1505.9","0.2","293","2","293","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","k161102","","- C16 H13 F2 N O2 Pt -","- C16 H13 F2 N O2 Pt -","- C64 H52 F8 N4 O8 Pt4 -","4","1","","Cho, Yang-Jin; Kim, So-Yoen; Son, Ho-Jin; Cho, Dae Won; Kang, Sang Ook","Steric effect on excimer formation in planar Pt(ii) complexes.","Physical chemistry chemical physics : PCCP","2017","19","7","5486","5494","10.1039/c6cp08651a","","","0.71073","MoKα","","0.0353","0.0286","","","0.0746","0.0793","","","","","","1.045","","","","has coordinates","193916","2020-10-21","18:00:00",""
"7227533","9.8803","0.0002","24.2747","0.0005","10.4047","0.0002","90","","114.042","0.001","90","","2278.99","0.08","296","2","296","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C12 H26 N8 O7 S2 Zn -","- C12 H26 N8 O7 S2 Zn -","- C48 H104 N32 O28 S8 Zn4 -","4","1","","González-García, Cristina; Mendiola, M. Antonia; Perles, Josefina; López-Torres, Elena","Structural diversity and supramolecular architectures of Zn(ii), Cu(ii) and Ni(ii) complexes by selective control of the degree of deprotonation of diacetyl bis(4-isopropyl-3-thiosemicarbazone)","CrystEngComm","2017","19","7","1035","","10.1039/C6CE02488B","","","0.71073","MoKα","","0.0413","0.0306","","","0.0841","0.0966","","","","","","1.098","","","","has coordinates","193764","2020-10-21","18:00:00",""
"7227534","14.7144","0.0006","7.0324","0.0003","21.4403","0.0008","90","","90","","90","","2218.59","0.15","296","2","296","2","","","","","","","","6","P n m a","-P 2ac 2n","62","","","","- C14 H28 N6 Ni O S3 -","- C14 H19 N6 Ni O S3 -","- C56 H76 N24 Ni4 O4 S12 -","4","0.5","","González-García, Cristina; Mendiola, M. Antonia; Perles, Josefina; López-Torres, Elena","Structural diversity and supramolecular architectures of Zn(ii), Cu(ii) and Ni(ii) complexes by selective control of the degree of deprotonation of diacetyl bis(4-isopropyl-3-thiosemicarbazone)","CrystEngComm","2017","19","7","1035","","10.1039/C6CE02488B","","","0.71073","MoKα","","0.0943","0.0484","","","0.1373","0.1795","","","","","","1.094","","","","has coordinates,has disorder","193764","2020-10-21","18:00:00",""
"7227535","8.6284","0.0004","10.0416","0.0004","11.2867","0.0005","74.662","0.002","69.52","0.002","89.89","0.002","879.02","0.07","296","2","296","2","","","","","","","","5","P -1","-P 1","2","","","","- C24 H44 N12 S4 Zn2 -","- C24 H44 N12 S4 Zn2 -","- C24 H44 N12 S4 Zn2 -","1","0.5","","González-García, Cristina; Mendiola, M. Antonia; Perles, Josefina; López-Torres, Elena","Structural diversity and supramolecular architectures of Zn(ii), Cu(ii) and Ni(ii) complexes by selective control of the degree of deprotonation of diacetyl bis(4-isopropyl-3-thiosemicarbazone)","CrystEngComm","2017","19","7","1035","","10.1039/C6CE02488B","","","0.71073","MoKα","","0.0372","0.0342","","","0.0954","0.0989","","","","","","1.049","","","","has coordinates","193764","2020-10-21","18:00:00",""
"7227536","9.0012","0.0004","11.2753","0.0004","12.1281","0.0005","94.572","0.002","105.603","0.002","112.913","0.002","1068.14","0.08","153","2","153","2","","","","","","","","6","P -1","-P 1","2","","","","- C15 H29 Cu N7 O S2 -","- C15 H29 Cu N7 O S2 -","- C30 H58 Cu2 N14 O2 S4 -","2","1","","González-García, Cristina; Mendiola, M. Antonia; Perles, Josefina; López-Torres, Elena","Structural diversity and supramolecular architectures of Zn(ii), Cu(ii) and Ni(ii) complexes by selective control of the degree of deprotonation of diacetyl bis(4-isopropyl-3-thiosemicarbazone)","CrystEngComm","2017","19","7","1035","","10.1039/C6CE02488B","","","0.71073","MoKα","","0.0415","0.0308","","","0.0806","0.0966","","","","","","1.146","","","","has coordinates","193764","2020-10-21","18:00:00",""
"7227537","9.8527","0.0003","14.1937","0.0004","15.1185","0.0004","113.748","0.001","103.82","0.001","97.895","0.001","1813.18","0.09","296","2","296","2","","","","","","","","5","P -1","-P 1","2","","","","- C12 H22 Cu N6 S2 -","- C12 H22 Cu N6 S2 -","- C48 H88 Cu4 N24 S8 -","4","2","","González-García, Cristina; Mendiola, M. Antonia; Perles, Josefina; López-Torres, Elena","Structural diversity and supramolecular architectures of Zn(ii), Cu(ii) and Ni(ii) complexes by selective control of the degree of deprotonation of diacetyl bis(4-isopropyl-3-thiosemicarbazone)","CrystEngComm","2017","19","7","1035","","10.1039/C6CE02488B","","","0.71073","MoKα","","0.0625","0.0356","","","0.1001","0.1255","","","","","","1","","","","has coordinates","193764","2020-10-21","18:00:00",""
"7227538","8.8078","0.0017","15.696","0.003","16.873","0.004","82.42","0.011","88.292","0.01","79.428","0.01","2273","0.8","296","2","296","2","","","","","","","","6","P -1","-P 1","2","","","","- C14 H29 N7 O4 S2 Zn -","- C14 H29 N7 O4 S2 Zn -","- C56 H116 N28 O16 S8 Zn4 -","4","2","","González-García, Cristina; Mendiola, M. Antonia; Perles, Josefina; López-Torres, Elena","Structural diversity and supramolecular architectures of Zn(ii), Cu(ii) and Ni(ii) complexes by selective control of the degree of deprotonation of diacetyl bis(4-isopropyl-3-thiosemicarbazone)","CrystEngComm","2017","19","7","1035","","10.1039/C6CE02488B","","","0.71073","MoKα","","0.0747","0.0518","","","0.1488","0.1769","","","","","","1.051","","","","has coordinates","193764","2020-10-21","18:00:00",""
"7227539","15.2729","0.0008","6.9098","0.0004","23.4483","0.0011","90","","91.266","0.004","90","","2474","0.2","123","0.1","123","0.1","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C14 H12 B F2 N O2 -","- C14 H12 B F2 N O2 -","- C112 H96 B8 F16 N8 O16 -","8","2","","Bednarska, Joanna; Zaleśny, Robert; Wielgus, Małgorzata; Jędrzejewska, Beata; Puttreddy, Rakesh; Rissanen, Kari; Bartkowiak, Wojciech; Ågren, Hans; Ośmiałowski, Borys","Two-photon absorption of BF2-carrying compounds: insights from theory and experiment.","Physical chemistry chemical physics : PCCP","2017","19","8","5705","5708","10.1039/c7cp00063d","","x-ray","1.54184","CuKα","","0.103","0.0866","","","0.2297","0.2377","","","","","","1.168","","","","has coordinates","193909","2020-10-21","18:00:00",""
"7227540","31.155","0.006","7.7105","0.0015","11.419","0.002","90","","90","","90","","2743.1","0.9","170","","170","","","","","","","","","6","P c a 21","P 2c -2ac","29","","","","- C15 H15 B F2 N2 O -","- C15 H15 B F2 N2 O -","- C120 H120 B8 F16 N16 O8 -","8","2","","Bednarska, Joanna; Zaleśny, Robert; Wielgus, Małgorzata; Jędrzejewska, Beata; Puttreddy, Rakesh; Rissanen, Kari; Bartkowiak, Wojciech; Ågren, Hans; Ośmiałowski, Borys","Two-photon absorption of BF2-carrying compounds: insights from theory and experiment.","Physical chemistry chemical physics : PCCP","2017","19","8","5705","5708","10.1039/c7cp00063d","","","0.71073","MoKα","","0.0502","0.0365","","","0.0732","0.0786","","","","","","1.072","","","","has coordinates","193909","2020-10-21","18:00:00",""
"7227541","5.505","0.0011","9.61","0.0019","16.517","0.003","99.15","0.03","98.7","0.03","100.8","0.03","832.5","0.3","293","2","293","2","","","","","","","","3","P -1","-P 1","2","","1-phenyl-3-(1-pyrenyl) prop-2-en-1-one","","- C25 H16 O -","- C25 H16 O -","- C50 H32 O2 -","2","1","","Yu, Fangfang; Wang, Mingliang; Sun, Hao; Shan, Yaqi; Du, Man; Khan, Arshad; Usman, Rabia; Zhang, Wei; Shan, Hongbin; Xu, Chunxiang","Tuning the solid-state fluorescence of chalcone crystals via molecular coplanarity and J-aggregate formation","RSC Adv.","2017","7","14","8491","","10.1039/C6RA27458G","","","0.71073","MoKα","","0.2175","0.096","","","0.1651","0.2068","","","","","","1.002","","","","has coordinates","191007","2020-10-21","18:00:00",""
"7227542","5.432","0.0011","19.431","0.004","16.208","0.003","90","","95.65","0.03","90","","1702.4","0.6","293","2","293","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","3-(9-anthryl)-1-(4-chloro) prop-2-en-1-one","","- C23 H15 Cl O -","- C23 H15 Cl O -","- C92 H60 Cl4 O4 -","4","1","","Yu, Fangfang; Wang, Mingliang; Sun, Hao; Shan, Yaqi; Du, Man; Khan, Arshad; Usman, Rabia; Zhang, Wei; Shan, Hongbin; Xu, Chunxiang","Tuning the solid-state fluorescence of chalcone crystals via molecular coplanarity and J-aggregate formation","RSC Adv.","2017","7","14","8491","","10.1039/C6RA27458G","","","0.71073","MoKα","","0.198","0.0841","","","0.1314","0.1644","","","","","","1.001","","","","has coordinates","191007","2020-10-21","18:00:00",""
"7227543","31.234","0.006","4.818","0.001","11.669","0.002","90","","90","","90","","1756","0.6","293","2","293","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","3-(1-pyrenyl)-1-(4-chlorophenyl) prop-2-en-1-one","","- C25 H15 Cl O -","- C25 H15 Cl O -","- C100 H60 Cl4 O4 -","4","1","","Yu, Fangfang; Wang, Mingliang; Sun, Hao; Shan, Yaqi; Du, Man; Khan, Arshad; Usman, Rabia; Zhang, Wei; Shan, Hongbin; Xu, Chunxiang","Tuning the solid-state fluorescence of chalcone crystals via molecular coplanarity and J-aggregate formation","RSC Adv.","2017","7","14","8491","","10.1039/C6RA27458G","","","0.71073","MoKα","","0.1937","0.071","","","0.0861","0.1172","","","","","","1.004","","","","has coordinates","191007","2020-10-21","18:00:00",""
"7227544","10.831","0.002","10.431","0.002","30.703","0.006","90","","90","","90","","3468.8","1.1","293","2","293","2","","","","","","","","4","P c a 21","P 2c -2ac","29","","3-(9-anthryl)-1-(4-chloro) prop-2-en-1-one","","- C23 H15 Cl O -","- C23 H15 Cl O -","- C184 H120 Cl8 O8 -","8","2","","Yu, Fangfang; Wang, Mingliang; Sun, Hao; Shan, Yaqi; Du, Man; Khan, Arshad; Usman, Rabia; Zhang, Wei; Shan, Hongbin; Xu, Chunxiang","Tuning the solid-state fluorescence of chalcone crystals via molecular coplanarity and J-aggregate formation","RSC Adv.","2017","7","14","8491","","10.1039/C6RA27458G","","","0.71073","MoKα","","0.1141","0.0551","","","0.0969","0.1132","","","","","","0.998","","","","has coordinates","202518","2020-10-21","18:00:00",""
"7227545","4.672","0.0009","22.405","0.005","8.21","0.0016","90","","106.02","0.03","90","","826","0.3","293","2","293","2","","","","","","","","3","P 1 21 1","P 2yb","4","","1-phenyl-3-(1-pyrenyl) prop-2-en-1-one","","- C25 H16 O -","- C25 H16 O -","- C50 H32 O2 -","2","1","","Yu, Fangfang; Wang, Mingliang; Sun, Hao; Shan, Yaqi; Du, Man; Khan, Arshad; Usman, Rabia; Zhang, Wei; Shan, Hongbin; Xu, Chunxiang","Tuning the solid-state fluorescence of chalcone crystals via molecular coplanarity and J-aggregate formation","RSC Adv.","2017","7","14","8491","","10.1039/C6RA27458G","","","0.71073","MoKα","","0.1169","0.0569","","","0.1087","0.1284","","","","","","1.002","","","","has coordinates","191007","2020-10-21","18:00:00",""
"7227546","30.665","0.006","5.507","0.0011","21.295","0.004","90","","92.38","0.03","90","","3593","1.2","293","2","293","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","3-(1-pyrenyl)-1-(4-chlorophenyl) prop-2-en-1-one","","- C25 H15 Cl O -","- C25 H15 Cl O -","- C200 H120 Cl8 O8 -","8","1","","Yu, Fangfang; Wang, Mingliang; Sun, Hao; Shan, Yaqi; Du, Man; Khan, Arshad; Usman, Rabia; Zhang, Wei; Shan, Hongbin; Xu, Chunxiang","Tuning the solid-state fluorescence of chalcone crystals via molecular coplanarity and J-aggregate formation","RSC Adv.","2017","7","14","8491","","10.1039/C6RA27458G","","","0.71073","MoKα","","0.2216","0.0986","","","0.2173","0.2764","","","","","","1.002","","","","has coordinates","191007","2020-10-21","18:00:00",""
"7227547","28.811","0.006","5.488","0.0011","21.784","0.004","90","","100.25","0.03","90","","3389.4","1.2","293","2","293","2","","","","","","","","3","P 1 2/c 1","-P 2yc","13","","1-phenyl-3-(1-pyrenyl) prop-2-en-1-one","","- C25 H16 O -","- C25 H16 O -","- C200 H128 O8 -","8","2","","Yu, Fangfang; Wang, Mingliang; Sun, Hao; Shan, Yaqi; Du, Man; Khan, Arshad; Usman, Rabia; Zhang, Wei; Shan, Hongbin; Xu, Chunxiang","Tuning the solid-state fluorescence of chalcone crystals via molecular coplanarity and J-aggregate formation","RSC Adv.","2017","7","14","8491","","10.1039/C6RA27458G","","","0.71073","MoKα","","0.1715","0.0693","","","0.1072","0.1313","","","","","","1.001","","","","has coordinates","202518","2020-10-21","18:00:00",""
"7227548","7.387","0.0015","7.847","0.0016","32.089","0.006","90","","94","0.03","90","","1855.5","0.6","293","2","293","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","3-(1-pyrenyl)-1-(4-nitrophenyl) prop-2-en-1-one","","- C25 H15 N O3 -","- C25 H15 N O3 -","- C100 H60 N4 O12 -","4","1","","Yu, Fangfang; Wang, Mingliang; Sun, Hao; Shan, Yaqi; Du, Man; Khan, Arshad; Usman, Rabia; Zhang, Wei; Shan, Hongbin; Xu, Chunxiang","Tuning the solid-state fluorescence of chalcone crystals via molecular coplanarity and J-aggregate formation","RSC Adv.","2017","7","14","8491","","10.1039/C6RA27458G","","","0.71073","MoKα","","0.2004","0.0777","","","0.1285","0.1651","","","","","","1","","","","has coordinates","191007","2020-10-21","18:00:00",""
"7227549","18.377","0.004","7.9014","0.0016","17.239","0.003","90","","99.43","0.03","90","","2469.3","0.9","293","2","293","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","meso-asaronan A","","- C24 H34 O9 -","- C24 H34 O9 -","- C96 H136 O36 -","4","1","","Qin, Da-Peng; Feng, Xiao-Lin; Zhang, Wei-Yang; Gao, Hao; Cheng, Xiao-Rui; Zhou, Wen-Xia; Yu, Yang; Yao, Xin-Sheng","Anti-neuroinflammatory asarone derivatives from the rhizomes of Acorus tatarinowii","RSC Adv.","2017","7","14","8512","","10.1039/C6RA27786A","","","0.71073","MoKα","","0.0756","0.0554","","","0.1342","0.1473","","","","","","1.035","","","","has coordinates","191008","2020-10-21","18:00:00",""
"7227550","14.3231","0.0005","23.3774","0.0006","16.4367","0.0005","90","","90","","90","","5503.6","0.3","107","","107","","","","","","","","","3","P n 21 a","P -2ac -2n","33","","asarolignan B","","- C49 H78 O23.9 -","- C49 H78 O23.9 -","- C196 H312 O95.6 -","4","1","","Qin, Da-Peng; Feng, Xiao-Lin; Zhang, Wei-Yang; Gao, Hao; Cheng, Xiao-Rui; Zhou, Wen-Xia; Yu, Yang; Yao, Xin-Sheng","Anti-neuroinflammatory asarone derivatives from the rhizomes of Acorus tatarinowii","RSC Adv.","2017","7","14","8512","","10.1039/C6RA27786A","","","0.71073","MoKα","","0.0967","0.0697","","","0.1642","0.1815","","","","","","1.069","","","","has coordinates,has disorder","191008","2020-10-21","18:00:00",""
"7227551","7.571","0.0002","15.1433","0.0004","18.9868","0.0006","90","","112.489","0.003","90","","2011.29","0.11","293","2","293","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","asaroquinone A","","- C22 H24 O6 -","- C22 H24 O6 -","- C88 H96 O24 -","4","1","","Qin, Da-Peng; Feng, Xiao-Lin; Zhang, Wei-Yang; Gao, Hao; Cheng, Xiao-Rui; Zhou, Wen-Xia; Yu, Yang; Yao, Xin-Sheng","Anti-neuroinflammatory asarone derivatives from the rhizomes of Acorus tatarinowii","RSC Adv.","2017","7","14","8512","","10.1039/C6RA27786A","","","1.54178","CuKα","","0.046","0.0382","","","0.0947","0.1028","","","","","","1.037","","","","has coordinates","191008","2020-10-21","18:00:00",""
"7227552","11.7316","0.0005","25.2812","0.0008","8.4293","0.0002","90","","97.814","0.003","90","","2476.82","0.15","293","2","293","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","asarolignan D","","- C25 H36 O7 -","- C25 H36 O7 -","- C100 H144 O28 -","4","1","","Qin, Da-Peng; Feng, Xiao-Lin; Zhang, Wei-Yang; Gao, Hao; Cheng, Xiao-Rui; Zhou, Wen-Xia; Yu, Yang; Yao, Xin-Sheng","Anti-neuroinflammatory asarone derivatives from the rhizomes of Acorus tatarinowii","RSC Adv.","2017","7","14","8512","","10.1039/C6RA27786A","","","1.54178","CuKα","","0.0669","0.0498","","","0.1273","0.1435","","","","","","1.04","","","","has coordinates,has disorder","191008","2020-10-21","18:00:00",""
"7227553","7.1841","0.0014","18.013","0.004","14.832","0.003","90","","95.33","0.03","90","","1911.1","0.7","293","2","293","2","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C21 H17 F N0 O2 S Se -","- C21 H17 F O2 S Se -","- C84 H68 F4 O8 S4 Se4 -","4","1","","Sun, Kai; Wang, Xin; Fu, Fangfang; Zhang, Chong; Chen, Yao; Liu, Lin","Metal-free selenosulfonylation of alkynes: rapid access to β-(seleno)vinyl sulfones via a cationic-species-induced pathway","Green Chem.","2017","19","6","1490","","10.1039/C6GC03420A","","","0.71073","MoKα","","0.0786","0.055","","","0.1703","0.189","","","","","","1.061","","","","has coordinates","195140","2020-10-21","18:00:00",""
"7227554","8.7143","0.0017","10.963","0.002","12.352","0.003","91.21","0.03","95.23","0.03","108.64","0.03","1111.9","0.5","293","2","293","2","","","","","","","","6","P -1","-P 1","2","","","","- C24 H24 N0 O2 S Se -","- C24 H24 O2 S Se -","- C48 H48 O4 S2 Se2 -","2","1","","Sun, Kai; Wang, Xin; Fu, Fangfang; Zhang, Chong; Chen, Yao; Liu, Lin","Metal-free selenosulfonylation of alkynes: rapid access to β-(seleno)vinyl sulfones via a cationic-species-induced pathway","Green Chem.","2017","19","6","1490","","10.1039/C6GC03420A","","","0.71073","MoKα","","0.1045","0.0549","","","0.1672","0.2168","","","","","","1.026","","","","has coordinates","195140","2020-10-21","18:00:00",""
"7227555","14.693","0.003","13.577","0.003","17.032","0.003","90","","94.54","0.03","90","","3387","1.2","293","2","293","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C18 H18 N0 O2 S Se -","- C18 H18 O2 S Se -","- C144 H144 O16 S8 Se8 -","8","1","","Sun, Kai; Wang, Xin; Fu, Fangfang; Zhang, Chong; Chen, Yao; Liu, Lin","Metal-free selenosulfonylation of alkynes: rapid access to β-(seleno)vinyl sulfones via a cationic-species-induced pathway","Green Chem.","2017","19","6","1490","","10.1039/C6GC03420A","","","0.71073","MoKα","","0.0375","0.0289","","","0.0737","0.0773","","","","","","1.038","","","","has coordinates","195140","2020-10-21","18:00:00",""
"7227556","21.7917","0.0019","11.2285","0.001","7.3897","0.0006","90","","90","","90","","1808.2","0.3","147","2","147","2","","","","","","","","6","P n a 21","P 2c -2n","33","","","","- C19 H22 B F2 N3 O2 -","- C19 H22 B F2 N3 O2 -","- C76 H88 B4 F8 N12 O8 -","4","1","","Sritharan, S. R.; Hussein, B. A.; Machin, D. D.; El-Aooiti, M. A.; Adjei, J. A.; Singh, J. K.; Pau, J. T. H.; Dhindsa, J. S.; Lough, A. J.; Koivisto, B. D.","Managing nucleophilic addition reactions to tune the physical properties of 2-substituted pentamethylBODIPY derivatives","RSC Adv.","2017","7","15","8922","","10.1039/C6RA28114A","","","0.71073","MoKα","","0.1199","0.0492","","","0.0895","0.1116","","","","","","0.967","","","","has coordinates","191051","2020-10-21","18:00:00",""
"7227557","8.5314","0.0008","10.7672","0.0009","21.276","0.002","90","","96.381","0.007","90","","1942.3","0.3","147","2","147","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C21 H27 B F2 N2 O -","- C21 H27 B F2 N2 O -","- C84 H108 B4 F8 N8 O4 -","4","1","","Sritharan, S. R.; Hussein, B. A.; Machin, D. D.; El-Aooiti, M. A.; Adjei, J. A.; Singh, J. K.; Pau, J. T. H.; Dhindsa, J. S.; Lough, A. J.; Koivisto, B. D.","Managing nucleophilic addition reactions to tune the physical properties of 2-substituted pentamethylBODIPY derivatives","RSC Adv.","2017","7","15","8922","","10.1039/C6RA28114A","","","1.54178","CuKα","","0.0835","0.0492","","","0.1162","0.1331","","","","","","1.022","","","","has coordinates","191051","2020-10-21","18:00:00",""
"7227558","14.2221","0.0006","25.5903","0.001","10.381","0.0004","90","","93.552","0.0011","90","","3770.9","0.3","293","2","293","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C72 H50 I6 La2 N6 O14 -","- C72 H50 I6 La2 N6 O14 -","- C144 H100 I12 La4 N12 O28 -","2","0.5","","August Ridenour, J.; Carter, Korey P.; Cahill, Christopher L.","RE-p-halobenzoic acid‒terpyridine complexes, part III: structural and supramolecular trends in a series of p-iodobenzoic acid rare-earth hybrid materials","CrystEngComm","2017","19","8","1190","","10.1039/C6CE02356H","","x-ray","0.71073","MoKα","","0.076","0.0471","","","0.116","0.1332","","","","","","1.024","","","","has coordinates","193756","2020-10-21","18:00:00",""
"7227559","11.1864","0.0009","12.786","0.0007","14.4367","0.0008","68.885","0.001","88.375","0.003","72.644","0.002","1831.3","0.2","293","2","293","","","","","","","","","6","P -1","-P 1","2","","","","- C72 H50 I6 Lu2 N6 O14 -","- C72 H50 I6 Lu2 N6 O14 -","- C72 H50 I6 Lu2 N6 O14 -","1","0.5","","August Ridenour, J.; Carter, Korey P.; Cahill, Christopher L.","RE-p-halobenzoic acid‒terpyridine complexes, part III: structural and supramolecular trends in a series of p-iodobenzoic acid rare-earth hybrid materials","CrystEngComm","2017","19","8","1190","","10.1039/C6CE02356H","","x-ray","0.71073","MoKα","","0.0446","0.0363","","","0.0973","0.1033","","","","","","1.038","","","","has coordinates,has disorder","193756","2020-10-21","18:00:00",""
"7227560","11.198","0.005","13.03","0.005","14.604","0.005","69.314","0.004","89.085","0.003","72.956","0.005","1896.8","1.3","293","2","293","2","","","","","","","","6","P -1","-P 1","2","","","","- C72 H50 Ce2 I6 N6 O14 -","- C72 H50 Ce2 I6 N6 O14 -","- C72 H50 Ce2 I6 N6 O14 -","1","0.5","","August Ridenour, J.; Carter, Korey P.; Cahill, Christopher L.","RE-p-halobenzoic acid‒terpyridine complexes, part III: structural and supramolecular trends in a series of p-iodobenzoic acid rare-earth hybrid materials","CrystEngComm","2017","19","8","1190","","10.1039/C6CE02356H","","","0.71073","MoKα","","0.0345","0.0264","","","0.0597","0.0637","","","","","","1.036","","","","has coordinates,has disorder","193756","2020-10-21","18:00:00",""
"7227561","14.247","0.0011","25.523","0.002","10.3649","0.0008","90","","93.3","0.0009","90","","3762.7","0.5","293","2","293","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C72 H50 Ce2 I6 N6 O14 -","- C72 H50 Ce2 I6 N6 O14 -","- C144 H100 Ce4 I12 N12 O28 -","2","0.5","","August Ridenour, J.; Carter, Korey P.; Cahill, Christopher L.","RE-p-halobenzoic acid‒terpyridine complexes, part III: structural and supramolecular trends in a series of p-iodobenzoic acid rare-earth hybrid materials","CrystEngComm","2017","19","8","1190","","10.1039/C6CE02356H","","x-ray","0.71073","MoKα","","0.0731","0.0441","","","0.0999","0.1151","","","","","","1.032","","","","has coordinates","193756","2020-10-21","18:00:00",""
"7227562","10.0196","0.0004","10.467","0.0004","15.3792","0.0006","85.225","0.001","75.107","0.002","75.17","0.001","1506.53","0.1","293","2","293","2","","","","","","","","6","P -1","-P 1","2","","","","- C60 H38 Er2 I4 N6 O12 -","- C60 H38 Er2 I4 N6 O12 -","- C60 H38 Er2 I4 N6 O12 -","1","0.5","","August Ridenour, J.; Carter, Korey P.; Cahill, Christopher L.","RE-p-halobenzoic acid‒terpyridine complexes, part III: structural and supramolecular trends in a series of p-iodobenzoic acid rare-earth hybrid materials","CrystEngComm","2017","19","8","1190","","10.1039/C6CE02356H","","","0.71073","MoKα","","0.0529","0.0395","","","0.0829","0.0886","","","","","","1.061","","","","has coordinates,has disorder","193756","2020-10-21","18:00:00",""
"7227563","11.1925","0.0005","12.7725","0.0005","14.436","0.0006","68.862","0.002","88.312","0.001","72.624","0.001","1829.91","0.14","293","2","293","","","","","","","","","6","P -1","-P 1","2","","","","- C72 H50 I6 N6 O14 Yb2 -","- C72 H50 I6 N6 O14 Yb2 -","- C72 H50 I6 N6 O14 Yb2 -","1","0.5","","August Ridenour, J.; Carter, Korey P.; Cahill, Christopher L.","RE-p-halobenzoic acid‒terpyridine complexes, part III: structural and supramolecular trends in a series of p-iodobenzoic acid rare-earth hybrid materials","CrystEngComm","2017","19","8","1190","","10.1039/C6CE02356H","","x-ray","0.71073","MoKα","","0.0654","0.0449","","","0.0996","0.1092","","","","","","1.041","","","","has coordinates,has disorder","193756","2020-10-21","18:00:00",""
"7227564","11.194","0.003","12.797","0.004","14.456","0.004","68.894","0.003","88.362","0.004","72.638","0.004","1836.6","0.9","293","2","293","2","","","","","","","","6","P -1","-P 1","2","","","","- C72 H50 I6 N6 O14 Tm2 -","- C72 H50 I6 N6 O14 Tm2 -","- C72 H50 I6 N6 O14 Tm2 -","1","0.5","","August Ridenour, J.; Carter, Korey P.; Cahill, Christopher L.","RE-p-halobenzoic acid‒terpyridine complexes, part III: structural and supramolecular trends in a series of p-iodobenzoic acid rare-earth hybrid materials","CrystEngComm","2017","19","8","1190","","10.1039/C6CE02356H","","","0.71073","MoKα","","0.062","0.0417","","","0.0984","0.1096","","","","","","1.043","","","","has coordinates,has disorder","193756","2020-10-21","18:00:00",""
"7227565","11.1808","0.0005","12.8254","0.0005","14.4618","0.0006","68.892","0.001","88.445","0.0011","72.691","0.0009","1839.57","0.13","293","2","293","2","","","","","","","","6","P -1","-P 1","2","","","","- C72 H50 I6 N6 O14 Y2 -","- C72 H50 I6 N6 O14 Y2 -","- C72 H50 I6 N6 O14 Y2 -","1","0.5","","August Ridenour, J.; Carter, Korey P.; Cahill, Christopher L.","RE-p-halobenzoic acid‒terpyridine complexes, part III: structural and supramolecular trends in a series of p-iodobenzoic acid rare-earth hybrid materials","CrystEngComm","2017","19","8","1190","","10.1039/C6CE02356H","","x-ray","0.71073","MoKα","","0.0711","0.0488","","","0.1372","0.1508","","","","","","1.048","","","","has coordinates,has disorder","193756","2020-10-21","18:00:00",""
"7227566","11.2147","0.0005","12.8161","0.0006","14.4733","0.0007","68.947","0.002","88.417","0.001","72.681","0.001","1845.99","0.15","293","2","293","2","","","","","","","","6","P -1","-P 1","2","","","","- C72 H50 Ho2 I6 N6 O14 -","- C72 H50 Ho2 I6 N6 O14 -","- C72 H50 Ho2 I6 N6 O14 -","1","0.5","","August Ridenour, J.; Carter, Korey P.; Cahill, Christopher L.","RE-p-halobenzoic acid‒terpyridine complexes, part III: structural and supramolecular trends in a series of p-iodobenzoic acid rare-earth hybrid materials","CrystEngComm","2017","19","8","1190","","10.1039/C6CE02356H","","x-ray","0.71073","MoKα","","0.054","0.0369","","","0.0763","0.0842","","","","","","1.031","","","","has coordinates,has disorder","193756","2020-10-21","18:00:00",""
"7227567","9.9471","0.0003","10.5094","0.0004","15.3693","0.0005","85.325","0.001","75.351","0.002","74.913","0.001","1500.66","0.09","293","2","293","","","","","","","","","6","P -1","-P 1","2","","","","- C60 H38 I4 N6 O12 Tm2 -","- C60 H38 I4 N6 O12 Tm2 -","- C60 H38 I4 N6 O12 Tm2 -","1","0.5","","August Ridenour, J.; Carter, Korey P.; Cahill, Christopher L.","RE-p-halobenzoic acid‒terpyridine complexes, part III: structural and supramolecular trends in a series of p-iodobenzoic acid rare-earth hybrid materials","CrystEngComm","2017","19","8","1190","","10.1039/C6CE02356H","","","0.71073","MoKα","","0.0384","0.0321","","","0.0728","0.0758","","","","","","1.04","","","","has coordinates,has disorder","193756","2020-10-21","18:00:00",""
"7227568","8.79","0.0013","13.516","0.002","15.488","0.002","103.43","0.003","91.225","0.002","93.761","0.002","1784.6","0.4","293","2","293","","","","","","","","","6","P -1","-P 1","2","","","","- C36 H25 I3 Lu N3 O7 -","- C36 H25 I3 Lu N3 O7 -","- C72 H50 I6 Lu2 N6 O14 -","2","1","","August Ridenour, J.; Carter, Korey P.; Cahill, Christopher L.","RE-p-halobenzoic acid‒terpyridine complexes, part III: structural and supramolecular trends in a series of p-iodobenzoic acid rare-earth hybrid materials","CrystEngComm","2017","19","8","1190","","10.1039/C6CE02356H","","x-ray","0.71073","MoKα","","0.0318","0.0273","","","0.0611","0.0631","","","","","","1.067","","","","has coordinates","193756","2020-10-21","18:00:00",""
"7227569","8.7843","0.0005","13.5206","0.0007","15.4808","0.0008","103.471","0.001","91.197","0.0011","93.745","0.0012","1783","0.17","293","2","293","","","","","","","","","6","P -1","-P 1","2","","","","- C36 H25 I3 N3 O7 Yb -","- C36 H25 I3 N3 O7 Yb -","- C72 H50 I6 N6 O14 Yb2 -","2","1","","August Ridenour, J.; Carter, Korey P.; Cahill, Christopher L.","RE-p-halobenzoic acid‒terpyridine complexes, part III: structural and supramolecular trends in a series of p-iodobenzoic acid rare-earth hybrid materials","CrystEngComm","2017","19","8","1190","","10.1039/C6CE02356H","","x-ray","0.71073","MoKα","","0.0404","0.0305","","","0.0731","0.0785","","","","","","1.035","","","","has coordinates","193756","2020-10-21","18:00:00",""
"7227570","11.2083","0.0004","12.8703","0.0005","14.5009","0.0006","69.063","0.002","88.615","0.001","72.74","0.001","1857.85","0.13","293","2","293","2","","","","","","","","6","P -1","-P 1","2","","","","- C72 H50 Gd2 I6 N6 O14 -","- C72 H50 Gd2 I6 N6 O14 -","- C72 H50 Gd2 I6 N6 O14 -","1","0.5","","August Ridenour, J.; Carter, Korey P.; Cahill, Christopher L.","RE-p-halobenzoic acid‒terpyridine complexes, part III: structural and supramolecular trends in a series of p-iodobenzoic acid rare-earth hybrid materials","CrystEngComm","2017","19","8","1190","","10.1039/C6CE02356H","","","0.71073","MoKα","","0.0588","0.04","","","0.0786","0.0867","","","","","","1.037","","","","has coordinates,has disorder","193756","2020-10-21","18:00:00",""
"7227571","11.1954","0.0007","12.8463","0.0008","14.4794","0.0008","69.023","0.001","88.579","0.002","72.752","0.001","1849.22","0.19","293","2","293","2","","","","","","","","6","P -1","-P 1","2","","","","- C72 H50 I6 N6 O14 Tb2 -","- C72 H50 I6 N6 O14 Tb2 -","- C72 H50 I6 N6 O14 Tb2 -","1","0.5","","August Ridenour, J.; Carter, Korey P.; Cahill, Christopher L.","RE-p-halobenzoic acid‒terpyridine complexes, part III: structural and supramolecular trends in a series of p-iodobenzoic acid rare-earth hybrid materials","CrystEngComm","2017","19","8","1190","","10.1039/C6CE02356H","","","0.71073","MoKα","","0.0581","0.0407","","","0.0849","0.093","","","","","","1.034","","","","has coordinates,has disorder","193756","2020-10-21","18:00:00",""
"7227572","11.2063","0.0003","12.9586","0.0004","14.5704","0.0004","69.231","0.0011","88.87","0.002","72.899","0.001","1882.44","0.09","293","2","293","2","","","","","","","","6","P -1","-P 1","2","","","","- C72 H50 I6 N6 Nd2 O14 -","- C72 H50 I6 N6 Nd2 O14 -","- C72 H50 I6 N6 Nd2 O14 -","1","0.5","","August Ridenour, J.; Carter, Korey P.; Cahill, Christopher L.","RE-p-halobenzoic acid‒terpyridine complexes, part III: structural and supramolecular trends in a series of p-iodobenzoic acid rare-earth hybrid materials","CrystEngComm","2017","19","8","1190","","10.1039/C6CE02356H","","x-ray","0.71073","MoKα","","0.0364","0.0313","","","0.0751","0.0788","","","","","","1.023","","","","has coordinates,has disorder","193756","2020-10-21","18:00:00",""
"7227573","11.2048","0.0004","12.9132","0.0005","14.5273","0.0006","69.134","0.001","88.722","0.001","72.806","0.002","1868.2","0.13","293","2","293","2","","","","","","","","6","P -1","-P 1","2","","","","- C72 H50 I6 N6 O14 Sm2 -","- C72 H50 I6 N6 O14 Sm2 -","- C72 H50 I6 N6 O14 Sm2 -","1","0.5","","August Ridenour, J.; Carter, Korey P.; Cahill, Christopher L.","RE-p-halobenzoic acid‒terpyridine complexes, part III: structural and supramolecular trends in a series of p-iodobenzoic acid rare-earth hybrid materials","CrystEngComm","2017","19","8","1190","","10.1039/C6CE02356H","","","0.71073","MoKα","","0.05","0.0366","","","0.0758","0.0822","","","","","","0.977","","","","has coordinates,has disorder","193756","2020-10-21","18:00:00",""
"7227574","11.2063","0.0003","12.7987","0.0004","14.4542","0.0004","68.914","0.001","88.394","0.002","72.64","0.001","1838.85","0.09","293","2","293","2","","","","","","","","6","P -1","-P 1","2","","","","- C72 H50 Er2 I6 N6 O14 -","- C72 H50 Er2 I6 N6 O14 -","- C72 H50 Er2 I6 N6 O14 -","1","0.5","","August Ridenour, J.; Carter, Korey P.; Cahill, Christopher L.","RE-p-halobenzoic acid‒terpyridine complexes, part III: structural and supramolecular trends in a series of p-iodobenzoic acid rare-earth hybrid materials","CrystEngComm","2017","19","8","1190","","10.1039/C6CE02356H","","x-ray","0.71073","MoKα","","0.048","0.0359","","","0.0782","0.0837","","","","","","1.043","","","","has coordinates,has disorder","193756","2020-10-21","18:00:00",""
"7227575","11.152","0.0003","12.9748","0.0004","14.5744","0.0004","69.246","0.001","88.95","0.002","73.066","0.001","1877.98","0.09","293","2","293","2","","","","","","","","6","P -1","-P 1","2","","","","- C72 H50 I6 N6 O14 Pr2 -","- C72 H50 I6 N6 O14 Pr2 -","- C72 H50 I6 N6 O14 Pr2 -","1","0.5","","August Ridenour, J.; Carter, Korey P.; Cahill, Christopher L.","RE-p-halobenzoic acid‒terpyridine complexes, part III: structural and supramolecular trends in a series of p-iodobenzoic acid rare-earth hybrid materials","CrystEngComm","2017","19","8","1190","","10.1039/C6CE02356H","","","0.71073","MoKα","","0.0498","0.0379","","","0.0917","0.0986","","","","","","1.043","","","","has coordinates,has disorder","193756","2020-10-21","18:00:00",""
"7227576","8.7799","0.0004","13.563","0.0006","15.5082","0.0007","103.533","0.002","91.262","0.001","93.551","0.001","1790.75","0.14","293","2","293","2","","","","","","","","6","P -1","-P 1","2","","","","- C36 H25 I3 N3 O7 Y -","- C36 H25 I3 N3 O7 Y -","- C72 H50 I6 N6 O14 Y2 -","2","1","","August Ridenour, J.; Carter, Korey P.; Cahill, Christopher L.","RE-p-halobenzoic acid‒terpyridine complexes, part III: structural and supramolecular trends in a series of p-iodobenzoic acid rare-earth hybrid materials","CrystEngComm","2017","19","8","1190","","10.1039/C6CE02356H","","x-ray","0.71073","MoKα","","0.0417","0.0283","","","0.0557","0.0597","","","","","","1.016","","","","has coordinates","193756","2020-10-21","18:00:00",""
"7227577","11.1901","0.0006","12.8834","0.0006","14.507","0.0007","69.119","0.002","88.699","0.001","72.84","0.001","1859.1","0.16","293","2","293","2","","","","","","","","6","P -1","-P 1","2","","","","- C72 H50 Eu2 I6 N6 O14 -","- C72 H50 Eu2 I6 N6 O14 -","- C72 H50 Eu2 I6 N6 O14 -","1","0.5","","August Ridenour, J.; Carter, Korey P.; Cahill, Christopher L.","RE-p-halobenzoic acid‒terpyridine complexes, part III: structural and supramolecular trends in a series of p-iodobenzoic acid rare-earth hybrid materials","CrystEngComm","2017","19","8","1190","","10.1039/C6CE02356H","","x-ray","0.71073","MoKα","","0.0397","0.0351","","","0.0939","0.0984","","","","","","1.033","","","","has coordinates,has disorder","193756","2020-10-21","18:00:00",""
"7227578","11.1784","0.0004","12.8338","0.0005","14.4641","0.0006","68.995","0.002","88.543","0.001","72.722","0.001","1842.08","0.13","293","2","293","2","","","","","","","","6","P -1","-P 1","2","","","","- C72 H50 Dy2 I6 N6 O14 -","- C72 H50 Dy2 I6 N6 O14 -","- C72 H50 Dy2 I6 N6 O14 -","1","0.5","","August Ridenour, J.; Carter, Korey P.; Cahill, Christopher L.","RE-p-halobenzoic acid‒terpyridine complexes, part III: structural and supramolecular trends in a series of p-iodobenzoic acid rare-earth hybrid materials","CrystEngComm","2017","19","8","1190","","10.1039/C6CE02356H","","","0.71073","MoKα","","0.0515","0.0408","","","0.1105","0.1182","","","","","","1.028","","","","has coordinates,has disorder","193756","2020-10-21","18:00:00",""
"7227579","9.9154","0.0005","10.4003","0.0005","15.0369","0.0008","85.103","0.001","74.836","0.001","74.496","0.001","1442","0.13","293","2","293","2","","","","","","","","6","P -1","-P 1","2","","","","- C60 H38 Br4 Lu2 N6 O12 -","- C60 H38 Br4.006 Lu2 N6 O12 -","- C60 H38 Br4.006 Lu2 N6 O12 -","1","0.5","","Ridenour, J. August; Carter, Korey P.; Butcher, Ray J.; Cahill, Christopher L.","RE-p-halobenzoic acid‒terpyridine complexes, Part II: structural diversity, supramolecular assembly, and luminescence properties in a series of p-bromobenzoic acid rare-earth hybrid materials","CrystEngComm","2017","19","8","1172","","10.1039/C6CE02355J","","x-ray","0.71073","MoKα","","0.0478","0.0341","","","0.0638","0.0697","","","","","","1.025","","","","has coordinates,has disorder","193755","2020-10-21","18:00:00",""
"7227580","10.0352","0.0004","10.3574","0.0004","15.0822","0.0006","84.858","0.0009","74.15","0.001","75.009","0.0011","1456.39","0.1","293","2","293","2","","","","","","","","6","P -1","-P 1","2","","","","- C60 H38 Br4 N6 O12 Tm2 -","- C60 H38 Br4 N6 O12 Tm2 -","- C60 H38 Br4 N6 O12 Tm2 -","1","0.5","","Ridenour, J. August; Carter, Korey P.; Butcher, Ray J.; Cahill, Christopher L.","RE-p-halobenzoic acid‒terpyridine complexes, Part II: structural diversity, supramolecular assembly, and luminescence properties in a series of p-bromobenzoic acid rare-earth hybrid materials","CrystEngComm","2017","19","8","1172","","10.1039/C6CE02355J","","","0.71073","MoKα","","0.0589","0.04","","","0.079","0.0858","","","","","","1.021","","","","has coordinates,has disorder","193755","2020-10-21","18:00:00",""
"7227581","8.683","0.0013","13.052","0.0019","15.223","0.002","102.793","0.002","93.301","0.002","92.394","0.002","1677","0.4","293","2","293","2","","","","","","","","6","P -1","-P 1","2","","","","- C36 H25 Br3 N3 O7 Yb -","- C36 H25 Br3 N3 O7 Yb -","- C72 H50 Br6 N6 O14 Yb2 -","2","1","","Ridenour, J. August; Carter, Korey P.; Butcher, Ray J.; Cahill, Christopher L.","RE-p-halobenzoic acid‒terpyridine complexes, Part II: structural diversity, supramolecular assembly, and luminescence properties in a series of p-bromobenzoic acid rare-earth hybrid materials","CrystEngComm","2017","19","8","1172","","10.1039/C6CE02355J","","x-ray","0.71073","MoKα","","0.0289","0.0229","","","0.0508","0.0527","","","","","","1.011","","","","has coordinates","193755","2020-10-21","18:00:00",""
"7227582","8.7587","0.0003","13.2478","0.0005","15.3694","0.0006","103.332","0.001","92.802","0.001","92.495","0.0011","1730.47","0.11","293","2","293","2","","","","","","","","6","P -1","-P 1","2","","","","- C36 H25 Br3 N3 O7 Tb -","- C36 H25 Br3 N3 O7 Tb -","- C72 H50 Br6 N6 O14 Tb2 -","2","1","","Ridenour, J. August; Carter, Korey P.; Butcher, Ray J.; Cahill, Christopher L.","RE-p-halobenzoic acid‒terpyridine complexes, Part II: structural diversity, supramolecular assembly, and luminescence properties in a series of p-bromobenzoic acid rare-earth hybrid materials","CrystEngComm","2017","19","8","1172","","10.1039/C6CE02355J","","x-ray","0.71073","MoKα","","0.048","0.0323","","","0.0646","0.0694","","","","","","1.019","","","","has coordinates","193755","2020-10-21","18:00:00",""
"7227583","8.7712","0.0002","13.1735","0.0004","15.3367","0.0004","103.2","0.011","92.67","0.01","92.75","0.01","1720.29","0.11","293","2","293","2","","","","","","","","6","P -1","-P 1","2","","","","- C36 H25 Br3 N3 O7 Tm -","- C36 H25 Br3 N3 O7 Tm -","- C72 H50 Br6 N6 O14 Tm2 -","2","1","","Ridenour, J. August; Carter, Korey P.; Butcher, Ray J.; Cahill, Christopher L.","RE-p-halobenzoic acid‒terpyridine complexes, Part II: structural diversity, supramolecular assembly, and luminescence properties in a series of p-bromobenzoic acid rare-earth hybrid materials","CrystEngComm","2017","19","8","1172","","10.1039/C6CE02355J","","x-ray","0.71073","MoKα","","0.0337","0.026","","","0.0633","0.068","","","","","","0.83","","","","has coordinates","193755","2020-10-21","18:00:00",""
"7227584","9.9679","0.0004","10.3797","0.0004","15.0584","0.0005","84.989","0.001","74.48","0.001","74.774","0.001","1448.25","0.09","293","2","293","2","","","","","","","","6","P -1","-P 1","2","","","","- C60 H38 Br4 N6 O12 Yb2 -","- C60 H38 Br4 N6 O12 Yb2 -","- C60 H38 Br4 N6 O12 Yb2 -","1","0.5","","Ridenour, J. August; Carter, Korey P.; Butcher, Ray J.; Cahill, Christopher L.","RE-p-halobenzoic acid‒terpyridine complexes, Part II: structural diversity, supramolecular assembly, and luminescence properties in a series of p-bromobenzoic acid rare-earth hybrid materials","CrystEngComm","2017","19","8","1172","","10.1039/C6CE02355J","","x-ray","0.71073","MoKα","","0.0509","0.0369","","","0.0728","0.0776","","","","","","1.045","","","","has coordinates,has disorder","193755","2020-10-21","18:00:00",""
"7227585","8.7754","0.0007","13.2024","0.0011","15.3521","0.0013","103.207","0.001","92.728","0.0009","92.688","0.001","1726.6","0.2","293","2","293","2","","","","","","","","6","P -1","-P 1","2","","","","- C36 H25 Br3 Er N3 O7 -","- C36 H25 Br3 Er N3 O7 -","- C72 H50 Br6 Er2 N6 O14 -","2","1","","Ridenour, J. August; Carter, Korey P.; Butcher, Ray J.; Cahill, Christopher L.","RE-p-halobenzoic acid‒terpyridine complexes, Part II: structural diversity, supramolecular assembly, and luminescence properties in a series of p-bromobenzoic acid rare-earth hybrid materials","CrystEngComm","2017","19","8","1172","","10.1039/C6CE02355J","","x-ray","0.71073","MoKα","","0.06","0.0411","","","0.0934","0.1017","","","","","","1.002","","","","has coordinates","193755","2020-10-21","18:00:00",""
"7227586","8.7376","0.0015","13.163","0.002","15.296","0.003","103.274","0.002","92.763","0.002","92.604","0.002","1707.4","0.5","293","2","293","2","","","","","","","","6","P -1","-P 1","2","","","","- C36 H25 Br3 Ho N3 O7 -","- C36 H25 Br3 Ho N3 O7 -","- C72 H50 Br6 Ho2 N6 O14 -","2","1","","Ridenour, J. August; Carter, Korey P.; Butcher, Ray J.; Cahill, Christopher L.","RE-p-halobenzoic acid‒terpyridine complexes, Part II: structural diversity, supramolecular assembly, and luminescence properties in a series of p-bromobenzoic acid rare-earth hybrid materials","CrystEngComm","2017","19","8","1172","","10.1039/C6CE02355J","","x-ray","0.71073","MoKα","","0.0952","0.0506","","","0.1016","0.1201","","","","","","0.919","","","","has coordinates","193755","2020-10-21","18:00:00",""
"7227587","10.974","0.002","12.601","0.002","14.083","0.003","69.087","0.003","88.723","0.003","74.262","0.003","1744.9","0.6","293","2","293","2","","","","","","","","6","P -1","-P 1","2","","","","- C72 H50 Br6 N6 O14 Sm2 -","- C72 H50 Br6 N6 O14 Sm2 -","- C72 H50 Br6 N6 O14 Sm2 -","1","0.5","","Ridenour, J. August; Carter, Korey P.; Butcher, Ray J.; Cahill, Christopher L.","RE-p-halobenzoic acid‒terpyridine complexes, Part II: structural diversity, supramolecular assembly, and luminescence properties in a series of p-bromobenzoic acid rare-earth hybrid materials","CrystEngComm","2017","19","8","1172","","10.1039/C6CE02355J","","x-ray","0.71073","MoKα","","0.0621","0.0387","","","0.0769","0.0859","","","","","","0.937","","","","has coordinates","193755","2020-10-21","18:00:00",""
"7227588","8.7618","0.0006","13.223","0.0009","15.3537","0.0011","103.268","0.001","92.804","0.0008","92.564","0.001","1726.4","0.2","293","2","293","2","","","","","","","","6","P -1","-P 1","2","","","","- C36 H25 Br3 Dy N3 O7 -","- C36 H25 Br3 Dy N3 O7 -","- C72 H50 Br6 Dy2 N6 O14 -","2","1","","Ridenour, J. August; Carter, Korey P.; Butcher, Ray J.; Cahill, Christopher L.","RE-p-halobenzoic acid‒terpyridine complexes, Part II: structural diversity, supramolecular assembly, and luminescence properties in a series of p-bromobenzoic acid rare-earth hybrid materials","CrystEngComm","2017","19","8","1172","","10.1039/C6CE02355J","","x-ray","0.71073","MoKα","","0.0874","0.0441","","","0.0737","0.0858","","","","","","0.981","","","","has coordinates","193755","2020-10-21","18:00:00",""
"7227589","8.7767","0.0004","13.1502","0.0006","15.3202","0.0007","103.146","0.001","92.657","0.001","92.845","0.0011","1716.7","0.14","293","2","293","2","","","","","","","","6","P -1","-P 1","2","","","","- C36 H25 Br3 Lu N3 O7 -","- C36 H25 Br3 Lu N3 O7 -","- C72 H50 Br6 Lu2 N6 O14 -","2","1","","Ridenour, J. August; Carter, Korey P.; Butcher, Ray J.; Cahill, Christopher L.","RE-p-halobenzoic acid‒terpyridine complexes, Part II: structural diversity, supramolecular assembly, and luminescence properties in a series of p-bromobenzoic acid rare-earth hybrid materials","CrystEngComm","2017","19","8","1172","","10.1039/C6CE02355J","","x-ray","0.71073","MoKα","","0.0637","0.0389","","","0.0755","0.0848","","","","","","0.949","","","","has coordinates","193755","2020-10-21","18:00:00",""
"7227590","13.8199","0.001","25.3181","0.0018","9.9662","0.0007","90","","91.308","0.001","90","","3486.2","0.4","293","2","293","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C72 H50 Br6 N6 Nd2 O14 -","- C72 H50 Br6 N6 Nd2 O14 -","- C144 H100 Br12 N12 Nd4 O28 -","2","0.5","","Ridenour, J. August; Carter, Korey P.; Butcher, Ray J.; Cahill, Christopher L.","RE-p-halobenzoic acid‒terpyridine complexes, Part II: structural diversity, supramolecular assembly, and luminescence properties in a series of p-bromobenzoic acid rare-earth hybrid materials","CrystEngComm","2017","19","8","1172","","10.1039/C6CE02355J","","x-ray","0.71073","MoKα","","0.0517","0.0321","","","0.062","0.0677","","","","","","0.989","","","","has coordinates","193755","2020-10-21","18:00:00",""
"7227591","13.8325","0.0005","25.4757","0.0008","10.2555","0.0003","90","","91.931","0.001","90","","3611.9","0.2","293","2","293","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C72 H50 Br6 N6 O14 Pr2 -","- C72 H50 Br6 N6 O14 Pr2 -","- C144 H100 Br12 N12 O28 Pr4 -","2","0.5","","Ridenour, J. August; Carter, Korey P.; Butcher, Ray J.; Cahill, Christopher L.","RE-p-halobenzoic acid‒terpyridine complexes, Part II: structural diversity, supramolecular assembly, and luminescence properties in a series of p-bromobenzoic acid rare-earth hybrid materials","CrystEngComm","2017","19","8","1172","","10.1039/C6CE02355J","","x-ray","0.71073","MoKα","","0.0747","0.0422","","","0.0958","0.109","","","","","","1.014","","","","has coordinates","193755","2020-10-21","18:00:00",""
"7227592","10.9343","0.0015","12.5436","0.0017","14.0627","0.0019","68.83","0.002","88.536","0.003","74.185","0.002","1724.8","0.4","293","2","293","2","","","","","","","","6","P -1","-P 1","2","","","","- C72 H50 Br6 N6 O14 Tb2 -","- C72 H50 Br6 N6 O14 Tb2 -","- C72 H50 Br6 N6 O14 Tb2 -","1","0.5","","Ridenour, J. August; Carter, Korey P.; Butcher, Ray J.; Cahill, Christopher L.","RE-p-halobenzoic acid‒terpyridine complexes, Part II: structural diversity, supramolecular assembly, and luminescence properties in a series of p-bromobenzoic acid rare-earth hybrid materials","CrystEngComm","2017","19","8","1172","","10.1039/C6CE02355J","","x-ray","0.71073","MoKα","","0.0797","0.0486","","","0.0954","0.1061","","","","","","0.982","","","","has coordinates","193755","2020-10-21","18:00:00",""
"7227593","25.3124","0.0012","29.7294","0.0014","9.5415","0.0004","90","","90","","90","","7180.2","0.6","293","2","293","2","","","","","","","","6","P n n a","-P 2a 2bc","52","","","","- C72 H50 Br6 La2 N6 O14 -","- C72 H50 Br6 La2 N6 O14 -","- C288 H200 Br24 La8 N24 O56 -","4","0.5","","Ridenour, J. August; Carter, Korey P.; Butcher, Ray J.; Cahill, Christopher L.","RE-p-halobenzoic acid‒terpyridine complexes, Part II: structural diversity, supramolecular assembly, and luminescence properties in a series of p-bromobenzoic acid rare-earth hybrid materials","CrystEngComm","2017","19","8","1172","","10.1039/C6CE02355J","","x-ray","0.71073","MoKα","","0.0687","0.0349","","","0.0716","0.0829","","","","","","1.023","","","","has coordinates","193755","2020-10-21","18:00:00",""
"7227594","13.809","0.0005","25.6321","0.0009","10.2526","0.0004","90","","92.434","0.001","90","","3625.7","0.2","293","2","293","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C72 H50 Br6 La2 N6 O14 -","- C72 H50 Br6 La2 N6 O14 -","- C144 H100 Br12 La4 N12 O28 -","2","0.5","","Ridenour, J. August; Carter, Korey P.; Butcher, Ray J.; Cahill, Christopher L.","RE-p-halobenzoic acid‒terpyridine complexes, Part II: structural diversity, supramolecular assembly, and luminescence properties in a series of p-bromobenzoic acid rare-earth hybrid materials","CrystEngComm","2017","19","8","1172","","10.1039/C6CE02355J","","x-ray","0.71073","MoKα","","0.0952","0.0457","","","0.0995","0.1185","","","","","","1.012","","","","has coordinates","193755","2020-10-21","18:00:00",""
"7227595","10.9414","0.0016","12.5871","0.0019","14.092","0.002","68.974","0.003","88.679","0.004","74.21","0.002","1737.2","0.4","293","2","293","2","","","","","","","","6","P -1","-P 1","2","","","","- C72 H50 Br6 Eu2 N6 O14 -","- C72 H50 Br6 Eu2 N6 O14 -","- C72 H50 Br6 Eu2 N6 O14 -","1","0.5","","Ridenour, J. August; Carter, Korey P.; Butcher, Ray J.; Cahill, Christopher L.","RE-p-halobenzoic acid‒terpyridine complexes, Part II: structural diversity, supramolecular assembly, and luminescence properties in a series of p-bromobenzoic acid rare-earth hybrid materials","CrystEngComm","2017","19","8","1172","","10.1039/C6CE02355J","","x-ray","0.71073","MoKα","","0.0675","0.0415","","","0.0875","0.0951","","","","","","1.041","","","","has coordinates","193755","2020-10-21","18:00:00",""
"7227596","13.8159","0.0004","25.5564","0.0006","10.2526","0.0003","90","","92.18","0.01","90","","3617.42","0.17","293","2","293","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C72 H50 Br6 Ce2 N6 O14 -","- C72 H50 Br6 Ce2 N6 O14 -","- C144 H100 Br12 Ce4 N12 O28 -","2","0.5","","Ridenour, J. August; Carter, Korey P.; Butcher, Ray J.; Cahill, Christopher L.","RE-p-halobenzoic acid‒terpyridine complexes, Part II: structural diversity, supramolecular assembly, and luminescence properties in a series of p-bromobenzoic acid rare-earth hybrid materials","CrystEngComm","2017","19","8","1172","","10.1039/C6CE02355J","","x-ray","0.71073","MoKα","","0.0707","0.0411","","","0.0983","0.1105","","","","","","1.026","","","","has coordinates","193755","2020-10-21","18:00:00",""
"7227597","25.242","0.005","29.691","0.006","9.5673","0.0018","90","","90","","90","","7170","2","293","2","293","2","","","","","","","","6","P n n a","-P 2a 2bc","52","","","","- C72 H46 Br6 Ce2 N6 O14 -","- C72 H46 Br6 Ce2 N6 O14 -","- C288 H184 Br24 Ce8 N24 O56 -","4","0.5","","Ridenour, J. August; Carter, Korey P.; Butcher, Ray J.; Cahill, Christopher L.","RE-p-halobenzoic acid‒terpyridine complexes, Part II: structural diversity, supramolecular assembly, and luminescence properties in a series of p-bromobenzoic acid rare-earth hybrid materials","CrystEngComm","2017","19","8","1172","","10.1039/C6CE02355J","","x-ray","0.71073","MoKα","","0.0968","0.0416","","","0.0876","0.1052","","","","","","1.005","","","","has coordinates","193755","2020-10-21","18:00:00",""
"7227598","8.778","0.003","13.221","0.004","15.363","0.005","103.208","0.005","92.772","0.006","92.673","0.005","1730.7","1","293","2","293","2","","","","","","","","6","P -1","-P 1","2","","","","- C36 H25 Br3 N3 O7 Y -","- C36 H25 Br3 N3 O7 Y -","- C72 H50 Br6 N6 O14 Y2 -","2","1","","Ridenour, J. August; Carter, Korey P.; Butcher, Ray J.; Cahill, Christopher L.","RE-p-halobenzoic acid‒terpyridine complexes, Part II: structural diversity, supramolecular assembly, and luminescence properties in a series of p-bromobenzoic acid rare-earth hybrid materials","CrystEngComm","2017","19","8","1172","","10.1039/C6CE02355J","","x-ray","0.71073","MoKα","","0.0789","0.0406","","","0.0823","0.0946","","","","","","0.963","","","","has coordinates","193755","2020-10-21","18:00:00",""
"7227599","8.7578","0.0007","13.2715","0.0011","15.3805","0.0012","103.408","0.0009","92.838","0.001","92.302","0.001","1734.3","0.2","293","2","293","2","","","","","","","","6","P -1","-P 1","2","","","","- C36 H25 Br3 Gd N3 O7 -","- C36 H25 Br3 Gd N3 O7 -","- C72 H50 Br6 Gd2 N6 O14 -","2","1","","Ridenour, J. August; Carter, Korey P.; Butcher, Ray J.; Cahill, Christopher L.","RE-p-halobenzoic acid‒terpyridine complexes, Part II: structural diversity, supramolecular assembly, and luminescence properties in a series of p-bromobenzoic acid rare-earth hybrid materials","CrystEngComm","2017","19","8","1172","","10.1039/C6CE02355J","","x-ray","0.71073","MoKα","","0.0555","0.0368","","","0.0796","0.0873","","","","","","1.009","","","","has coordinates","193755","2020-10-21","18:00:00",""
"7227600","25.0965","0.0017","29.647","0.002","9.605","0.0007","90","","90","","90","","7146.5","0.9","293","2","293","2","","","","","","","","6","P n n a","-P 2a 2bc","52","","","","- C72 H47 Br6 N6 Nd2 O14 -","- C72 H47 Br6 N6 Nd2 O14 -","- C288 H188 Br24 N24 Nd8 O56 -","4","0.5","","Ridenour, J. August; Carter, Korey P.; Butcher, Ray J.; Cahill, Christopher L.","RE-p-halobenzoic acid‒terpyridine complexes, Part II: structural diversity, supramolecular assembly, and luminescence properties in a series of p-bromobenzoic acid rare-earth hybrid materials","CrystEngComm","2017","19","8","1172","","10.1039/C6CE02355J","","x-ray","0.71073","MoKα","","0.0562","0.0364","","","0.0785","0.0858","","","","","","1.118","","","","has coordinates,has disorder","193755","2020-10-21","18:00:00",""
"7227601","25.1741","0.0016","29.6104","0.0019","9.5656","0.0006","90","","90","","90","","7130.3","0.8","293","2","293","2","","","","","","","","6","P n n a","-P 2a 2bc","52","","","","- C72 H50 Br6 N6 O14 Pr2 -","- C72 H50 Br6 N6 O14 Pr2 -","- C288 H200 Br24 N24 O56 Pr8 -","4","0.5","","Ridenour, J. August; Carter, Korey P.; Butcher, Ray J.; Cahill, Christopher L.","RE-p-halobenzoic acid‒terpyridine complexes, Part II: structural diversity, supramolecular assembly, and luminescence properties in a series of p-bromobenzoic acid rare-earth hybrid materials","CrystEngComm","2017","19","8","1172","","10.1039/C6CE02355J","","x-ray","0.71073","MoKα","","0.0651","0.0454","","","0.1125","0.1223","","","","","","1.065","","","","has coordinates","193755","2020-10-21","18:00:00",""
"7227602","10.962","0.003","12.556","0.003","14.059","0.004","68.944","0.004","88.62","0.006","74.244","0.005","1732.2","0.8","293","2","293","2","","","","","","","","6","P -1","-P 1","2","","","","- C72 H50 Br6 Gd2 N6 O14 -","- C72 H50 Br6 Gd2 N6 O14 -","- C72 H50 Br6 Gd2 N6 O14 -","1","0.5","","Ridenour, J. August; Carter, Korey P.; Butcher, Ray J.; Cahill, Christopher L.","RE-p-halobenzoic acid‒terpyridine complexes, Part II: structural diversity, supramolecular assembly, and luminescence properties in a series of p-bromobenzoic acid rare-earth hybrid materials","CrystEngComm","2017","19","8","1172","","10.1039/C6CE02355J","","x-ray","0.71073","MoKα","","0.104","0.0543","","","0.0986","0.1187","","","","","","0.968","","","","has coordinates","193755","2020-10-21","18:00:00",""
"7227603","8.7564","0.0018","9.2855","0.0018","12.643","0.003","108.548","0.004","95.167","0.004","96.016","0.004","960.9","0.4","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C22 H15 Cl N4 O3 -","- C22 H15 Cl N4 O3 -","- C44 H30 Cl2 N8 O6 -","2","1","","Gu, Linghui; Wang, Peng; Zhong, Qiu; Deng, Yuxing; Xie, Jiangping; Liu, Fei; Xiao, Fan; Zheng, Shilong; Chen, Yue; Wang, Guangdi; He, Ling","Copper salt-catalyzed formation of a novel series of triazole‒spirodienone conjugates with potent anticancer activity","RSC Adv.","2017","7","16","9412","","10.1039/C6RA24764D","","","0.71073","MoKα","","0.0707","0.0533","","","0.1492","0.1652","","","","","","1.025","","","","has coordinates","191165","2020-10-21","18:00:00",""
"7227604","13.3996","0.0018","12.191","0.002","22.958","0.003","90","","90","","90","","3750.3","0.9","113","2","113","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C24 H23 N3 O -","- C24 H23 N3 O -","- C192 H184 N24 O8 -","8","1","","Zhao, Hong-Wu; Pang, Hai-Liang; Zhao, Yu-Di; Liu, Yue-Yang; Zhao, Li-Jiao; Chen, Xiao-Qin; Song, Xiu-Qing; Feng, Ning-Ning; Du, Juan","Construction of 2,3,4,5-tetrahydro-1,2,4-triazines via [4 + 2] cycloaddition of α-halogeno hydrazones to imines","RSC Adv.","2017","7","15","9264","","10.1039/C6RA27767E","","","0.71073","MoKα","","0.0377","0.0343","","","0.0915","0.0934","","","","","","1.069","","","","has coordinates","191166","2020-10-21","18:00:00",""
"7227605","12.6799","0.0005","8.8317","0.0003","15.5666","0.0006","90","","109.439","0.004","90","","1643.86","0.11","293","2","293.15","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C40 H46 N2 O2 -","- C40 H46 N2 O2 -","- C80 H92 N4 O4 -","2","0.5","","Kurzep, Piotr; Skórka, Łukasz; Zagorska, Malgorzata; Guńka, Piotr A.; Banasiewicz, Marzena; Kozankiewicz, Bolesław; Kulszewicz-Bajer, Irena","New quinacridone derivatives with π-extended conjugation in central core","RSC Adv.","2017","7","14","8627","","10.1039/C6RA28567H","","x-ray","1.54184","CuKα","","0.0677","0.0559","","","0.1639","0.1781","","","","","","1.072","","","","has coordinates,has disorder","191167","2020-10-21","18:00:00",""
"7227606","11.579","0.0008","9.4791","0.0005","30.0335","0.0019","90","","90","","90","","3296.4","0.4","295","2","295","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C19 H18 N4 O -","- C19 H18 N4 O -","- C152 H144 N32 O8 -","8","1","","Kopchuk, Dmitry S.; Chepchugov, Nikolay V.; Kovalev, Igor S.; Santra, Sougata; Rahman, Matiur; Giri, Kousik; Zyryanov, Grigory V.; Majee, Adinath; Charushin, Valery N.; Chupakhin, Oleg N.","Solvent-free synthesis of 5-(aryl/alkyl)amino-1,2,4-triazines and α-arylamino-2,2′-bipyridines with greener prospects","RSC Adv.","2017","7","16","9610","","10.1039/C6RA26305D","","","0.7107","MoKα","","0.1113","0.0514","","","0.1237","0.1607","","","","","","1.001","","","","has coordinates","191179","2020-10-21","18:00:00",""
"7227607","7.8721","0.0003","8.4927","0.0003","10.4598","0.0004","68.931","0.002","89.853","0.002","77.388","0.002","634.58","0.04","123","2","123","2","","","","","","","","4","P -1","-P 1","2","","ethyl (E)-4-(pyrrolidin-1-yldiazenyl)benzoate","","- C13 H17 N3 O2 -","- C13 H17 N3 O2 -","- C26 H34 N6 O4 -","2","1","","Petrović, Martina; Scarpi, Dina; Nieger, Martin; Jung, Nicole; Occhiato, Ernesto G.; Bräse, Stefan","Oxidation of diazenyl-protected N-heterocycles ‒ a new entry to functionalized lactams","RSC Adv.","2017","7","16","9461","","10.1039/C6RA26546D","","","1.54178","CuKα","","0.0475","0.0367","","","0.0888","0.0944","","","","","","1.043","","","","has coordinates","191180","2020-10-21","18:00:00",""
"7227608","5.9831","0.0005","33.308","0.003","7.7858","0.0007","90","","93.355","0.002","90","","1548.9","0.2","123","2","123","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","4-(3,4-dihydro-1H-isoquinolin-2-ylazo)-benzoic acid ethyl ester","","- C18 H19 N3 O2 -","- C18 H19 N3 O2 -","- C72 H76 N12 O8 -","4","1","","Petrović, Martina; Scarpi, Dina; Nieger, Martin; Jung, Nicole; Occhiato, Ernesto G.; Bräse, Stefan","Oxidation of diazenyl-protected N-heterocycles ‒ a new entry to functionalized lactams","RSC Adv.","2017","7","16","9461","","10.1039/C6RA26546D","","","1.54178","CuKα","","0.036","0.0349","","","0.0892","0.0901","","","","","","1.049","","","","has coordinates","191180","2020-10-21","18:00:00",""
"7227609","14.7907","0.0003","7.09","0.0002","12.8103","0.0003","90","","98.877","0.001","90","","1327.27","0.06","123","2","123","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","ethyl (E)-4-((2-oxopiperidin-1-yl)diazenyl)benzoate","","- C14 H17 N3 O3 -","- C14 H17 N3 O3 -","- C56 H68 N12 O12 -","4","1","","Petrović, Martina; Scarpi, Dina; Nieger, Martin; Jung, Nicole; Occhiato, Ernesto G.; Bräse, Stefan","Oxidation of diazenyl-protected N-heterocycles ‒ a new entry to functionalized lactams","RSC Adv.","2017","7","16","9461","","10.1039/C6RA26546D","","","1.54178","CuKα","","0.0389","0.0335","","","0.0864","0.0899","","","","","","1.064","","","","has coordinates","191180","2020-10-21","18:00:00",""
"7227611","4.587","0.003","9.666","0.004","19.148","0.005","90","","91.76","0.02","90","","848.6","0.7","293","2","293","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","N-(nicotinoamido)urea","","- C7 H8 N4 O2 -","- C7 H8 N4 O2 -","- C28 H32 N16 O8 -","4","1","","Causà, Mauro; Centore, Roberto","Actual and virtual structures in molecular crystals","CrystEngComm","2017","19","9","1320","","10.1039/C7CE00075H","","x-ray","0.71073","MoKα","","0.081","0.0539","","","0.1164","0.1272","","","","","","1.168","","","","has coordinates","193768","2020-10-21","18:00:00",""
"7227612","4.58","0.002","9.633","0.003","19.017","0.005","90","","91.18","0.02","90","","838.8","0.5","173","2","173","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","N-(nicotinoamido)urea","","- C7 H8 N4 O2 -","- C7 H8 N4 O2 -","- C28 H32 N16 O8 -","4","1","","Causà, Mauro; Centore, Roberto","Actual and virtual structures in molecular crystals","CrystEngComm","2017","19","9","1320","","10.1039/C7CE00075H","","x-ray","0.71073","MoKα","","0.0777","0.046","","","0.0981","0.1099","","","","","","1.083","","","","has coordinates","193768","2020-10-21","18:00:00",""
"7227613","13.7987","0.0005","11.449","0.0005","12.1306","0.0006","90","","96.794","0.004","90","","1902.95","0.14","127.3","0.6","127.3","0.6","","","","","","","","7","I 1 2/a 1","-I 2ya","15","","","","- C16 H14 Ag B F4 N6 O2 -","- C16 H14 Ag B F4 N6 O2 -","- C64 H56 Ag4 B4 F16 N24 O8 -","4","0.5","","Ding, Bin; Wu, Jie; Wu, Xiang Xia; Huo, Jian Zhong; Zhu, Zhao Zhou; Liu, Yuan Yuan; Shi, Fang Xue","Syntheses, structural diversities and characterization of a series of coordination polymers with two isomeric oxadiazol-pyridine ligands","RSC Adv.","2017","7","16","9704","","10.1039/C6RA28153B","","x-ray","0.71073","MoKα","","0.0439","0.0414","","","0.1115","0.1137","","","","","","1.094","","","","has coordinates,has disorder","191222","2020-10-21","18:00:00",""
"7227614","8.1723","0.0005","19.7588","0.0012","8.6182","0.0005","90","","107.041","0.001","90","","1330.52","0.14","296","2","296","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C9 H7 Ag F3 N3 O4 S -","- C9 H7 Ag F3 N3 O4 S -","- C36 H28 Ag4 F12 N12 O16 S4 -","4","1","","Ding, Bin; Wu, Jie; Wu, Xiang Xia; Huo, Jian Zhong; Zhu, Zhao Zhou; Liu, Yuan Yuan; Shi, Fang Xue","Syntheses, structural diversities and characterization of a series of coordination polymers with two isomeric oxadiazol-pyridine ligands","RSC Adv.","2017","7","16","9704","","10.1039/C6RA28153B","","","0.71073","MoKα","","0.0343","0.0289","","","0.0709","0.0731","","","","","","1.069","","","","has coordinates","191222","2020-10-21","18:00:00",""
"7227615","8.9845","0.0005","10.6321","0.0006","11.8557","0.0007","90","","107.885","0.002","90","","1077.78","0.11","300","2","300","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C18 H14.5 Cu N8 O2.5 S2 -","- C18 H14 Cu N8 O2.5 S2 -","- C36 H28 Cu2 N16 O5 S4 -","2","0.5","","Ding, Bin; Wu, Jie; Wu, Xiang Xia; Huo, Jian Zhong; Zhu, Zhao Zhou; Liu, Yuan Yuan; Shi, Fang Xue","Syntheses, structural diversities and characterization of a series of coordination polymers with two isomeric oxadiazol-pyridine ligands","RSC Adv.","2017","7","16","9704","","10.1039/C6RA28153B","","","0.71073","MoKα","","0.0445","0.034","","","0.0803","0.0874","","","","","","1.045","","","","has coordinates","191222","2020-10-21","18:00:00",""
"7227616","25.8009","0.0018","8.5402","0.0006","7.8195","0.0005","90","","100.454","0.002","90","","1694.4","0.2","298","2","298","2","","","","","","","","5","C 1 2 1","C 2y","5","","","","- C12 H11 Cd N9 O3 -","- C12 H11 Cd N9 O3 -","- C48 H44 Cd4 N36 O12 -","4","1","","Ding, Bin; Wu, Jie; Wu, Xiang Xia; Huo, Jian Zhong; Zhu, Zhao Zhou; Liu, Yuan Yuan; Shi, Fang Xue","Syntheses, structural diversities and characterization of a series of coordination polymers with two isomeric oxadiazol-pyridine ligands","RSC Adv.","2017","7","16","9704","","10.1039/C6RA28153B","","","0.71073","MoKα","","0.0231","0.022","","","0.0594","0.0604","","","","","","1.011","","","","has coordinates","191222","2020-10-21","18:00:00",""
"7227617","12.402","0.004","15.825","0.005","14.732","0.005","90","","112.998","0.011","90","","2661.5","1.5","299","2","299","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C20 H14 Cd2 N10 O2 S4 -","- C20 H14 Cd2 N10 O2 S4 -","- C80 H56 Cd8 N40 O8 S16 -","4","0.5","","Ding, Bin; Wu, Jie; Wu, Xiang Xia; Huo, Jian Zhong; Zhu, Zhao Zhou; Liu, Yuan Yuan; Shi, Fang Xue","Syntheses, structural diversities and characterization of a series of coordination polymers with two isomeric oxadiazol-pyridine ligands","RSC Adv.","2017","7","16","9704","","10.1039/C6RA28153B","","","0.71073","MoKα","","0.0363","0.0292","","","0.0719","0.0934","","","","","","1.168","","","","has coordinates","191222","2020-10-21","18:00:00",""
"7227618","8.6773","0.0011","15.4665","0.0019","18.997","0.002","77.458","0.003","82.51","0.003","76.521","0.002","2411.6","0.5","296","2","296","2","","","","","","","","7","P -1","-P 1","2","","","","- C35 H28 Ag3 F9 N12 O13 S3 -","- C35 H28 Ag3 F9 N12 O13 S3 -","- C70 H56 Ag6 F18 N24 O26 S6 -","2","1","","Ding, Bin; Wu, Jie; Wu, Xiang Xia; Huo, Jian Zhong; Zhu, Zhao Zhou; Liu, Yuan Yuan; Shi, Fang Xue","Syntheses, structural diversities and characterization of a series of coordination polymers with two isomeric oxadiazol-pyridine ligands","RSC Adv.","2017","7","16","9704","","10.1039/C6RA28153B","","","0.71073","MoKα","","0.0956","0.0482","","","0.0946","0.118","","","","","","1.016","","","","has coordinates","191222","2020-10-21","18:00:00",""
"7227619","9.0183","0.0013","10.8981","0.0017","19.524","0.003","104.313","0.003","91.093","0.003","112.549","0.003","1703.2","0.4","296","2","296","2","","","","","","","","7","P -1","-P 1","2","","","","- C24 H21 Ag2 F12 N9 O3 P2 -","- C24 H21 Ag2 F12 N9 O3 P2 -","- C48 H42 Ag4 F24 N18 O6 P4 -","2","1","","Ding, Bin; Wu, Jie; Wu, Xiang Xia; Huo, Jian Zhong; Zhu, Zhao Zhou; Liu, Yuan Yuan; Shi, Fang Xue","Syntheses, structural diversities and characterization of a series of coordination polymers with two isomeric oxadiazol-pyridine ligands","RSC Adv.","2017","7","16","9704","","10.1039/C6RA28153B","","","0.71073","MoKα","","0.0858","0.0549","","","0.1389","0.159","","","","","","1.056","","","","has coordinates","191222","2020-10-21","18:00:00",""
"7227620","14.0427","0.0013","10.023","0.001","7.5702","0.0007","90","","102.733","0.003","90","","1039.3","0.17","298","2","298","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C18 H14 Cd N8 O2 S2 -","- C18 H14 Cd N8 O2 S2 -","- C36 H28 Cd2 N16 O4 S4 -","2","0.5","","Ding, Bin; Wu, Jie; Wu, Xiang Xia; Huo, Jian Zhong; Zhu, Zhao Zhou; Liu, Yuan Yuan; Shi, Fang Xue","Syntheses, structural diversities and characterization of a series of coordination polymers with two isomeric oxadiazol-pyridine ligands","RSC Adv.","2017","7","16","9704","","10.1039/C6RA28153B","","","0.71073","MoKα","","0.0363","0.0297","","","0.0649","0.0684","","","","","","1.056","","","","has coordinates","191222","2020-10-21","18:00:00",""
"7227621","11.5","0.006","12.19","0.007","12.237","0.006","69.738","0.008","70.732","0.008","70.189","0.008","1469.5","1.4","298","2","298","2","","","","","","","","5","P -1","-P 1","2","","","","- C31 H31 Cl N6 O4 -","- C31 H31 Cl N6 O4 -","- C62 H62 Cl2 N12 O8 -","2","1","","Li, Yinhua; Guo, Jixi; Liu, Anjie; Jia, Dianzeng; Wu, Xueyan; Chen, Yi","Synthesis, mechanism and efficient modulation of a fluorescence dye by photochromic pyrazolone with energy transfer in the crystalline state","RSC Adv.","2017","7","16","9847","","10.1039/C6RA27937F","","","0.71073","MoKα","","0.1255","0.0664","","","0.1723","0.2084","","","","","","1.006","","","","has coordinates","191223","2020-10-21","18:00:00",""
"7227622","8.3676","0.0008","17.9504","0.0016","18.8093","0.0018","90","","97.692","0.002","90","","2799.8","0.5","298","2","298","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C33 H27 N O5 S -","- C33 H27 N O5 S -","- C132 H108 N4 O20 S4 -","4","1","","Li, Jie; Hao, Wen-Juan; Zhou, Peng; Zhu, Yi-Long; Wang, Shu-Liang; Tu, Shu-Jiang; Jiang, Bo","Oxidative bicyclization of N-tethered 1,7-enynes toward polycyclic 3,4-dihydroquinolin-2(1H)-ones via site-selective decarboxylative C(sp3)‒H functionalization","RSC Adv.","2017","7","16","9693","","10.1039/C6RA28589A","","","0.71073","MoKα","","0.1438","0.0528","","","0.0873","0.1056","","","","","","1.014","","","","has coordinates","191224","2020-10-21","18:00:00",""
"7227623","8.2654","0.0007","11.9303","0.0009","12.0829","0.0011","89.065","0.002","89.854","0.001","90.304","0.001","1191.3","0.17","298","2","298","2","","","","","","","","6","P -1","-P 1","2","","","","- C27 H24 Cl N O3 S -","- C27 H24 Cl N O3 S -","- C54 H48 Cl2 N2 O6 S2 -","2","1","","Li, Jie; Hao, Wen-Juan; Zhou, Peng; Zhu, Yi-Long; Wang, Shu-Liang; Tu, Shu-Jiang; Jiang, Bo","Oxidative bicyclization of N-tethered 1,7-enynes toward polycyclic 3,4-dihydroquinolin-2(1H)-ones via site-selective decarboxylative C(sp3)‒H functionalization","RSC Adv.","2017","7","16","9693","","10.1039/C6RA28589A","","","0.71073","MoKα","","0.1115","0.0674","","","0.1718","0.2008","","","","","","1.031","","","","has coordinates","191224","2020-10-21","18:00:00",""
"7227624","8.0895","0.0016","11.829","0.002","18.063","0.004","86.63","0.03","77.32","0.03","77.33","0.03","1645.1","0.6","293","2","293","2","","","","","","","","6","P -1","-P 1","2","","","","- C22 H26 N6 O16 P4 Zn3 -","- C22 H25 N6 O16 P4 Zn3 -","- C44 H50 N12 O32 P8 Zn6 -","2","1","","Li, Jin-Hua; Han, Song-De; Pan, Jie; Xue, Zhen-Zhen; Wang, Guo-Ming; Wang, Zong-Hua; Bao, Zhen-Zhen","Template synthesis and photochromism of a layered zinc diphosphonate","CrystEngComm","2017","19","8","1160","","10.1039/C7CE00212B","","","0.71073","MoKα","","0.056","0.0389","","","0.0749","0.0802","","","","","","1.052","","","","has coordinates","193754","2020-10-21","18:00:00",""
"7227630","19.392","0.005","12.369","0.005","18.099","0.005","90","0.005","110.204","0.005","90","0.005","4074","2","293","2","293","2","","","","","","","","5","P 1 2/c 1","-P 2yc","13","","SB-NS-371","","- C8 H9 F3 N2 S -","- C8 H9 F3 N2 S -","- C128 H144 F48 N32 S16 -","16","4","","Sharma, N.; Kumari, N.; Chundawat, T. S.; Kumar, S.; Bhagat, S.","Efficient trifluoromethylation of C(sp2)‒H functionalized α-oxoketene dithioacetals: a route to the regioselective synthesis of functionalized trifluoromethylated pyrazoles","RSC Adv.","2017","7","17","10150","","10.1039/C7RA01130J","","","0.71073","MoKα","","0.2134","0.1116","","","0.2682","0.3318","","","","","","1.071","","","","has coordinates","191853","2020-10-21","18:00:00",""
"7227631","13.456","0.005","10.034","0.005","22.429","0.005","90","0.005","90","0.005","90","0.005","3028","2","293","2","293","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","SB-NS-357","","- C14 H11 F3 O2 S2 -","- C14 H11 F3 O2 S2 -","- C112 H88 F24 O16 S16 -","8","1","","Sharma, N.; Kumari, N.; Chundawat, T. S.; Kumar, S.; Bhagat, S.","Efficient trifluoromethylation of C(sp2)‒H functionalized α-oxoketene dithioacetals: a route to the regioselective synthesis of functionalized trifluoromethylated pyrazoles","RSC Adv.","2017","7","17","10150","","10.1039/C7RA01130J","","","0.71073","MoKα","","0.0583","0.047","","","0.1121","0.1175","","","","","","1.087","","","","has coordinates","191853","2020-10-21","18:00:00",""
"7227632","9.4554","0.0003","11.8767","0.0003","10.4401","0.0002","90","","91.738","0.002","90","","1171.87","0.05","100","2","100","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C15 H12 N2 O -","- C15 H12 N2 O -","- C60 H48 N8 O4 -","4","1","","Smirnov, Andrey S.; Nikolaev, Dmitriy N.; Gurzhiy, Vlad V.; Smirnov, Sergey N.; Suslonov, Vitaliy S.; Garabadzhiu, Alexander V.; Davidovich, Pavel B.","Conformational stabilization of isatin Schiff bases ‒ biologically active chemical probes","RSC Adv.","2017","7","17","10070","","10.1039/C6RA26779C","","","1.54184","CuKα","","0.0421","0.037","","","0.0929","0.097","","","","","","1.051","","","","has coordinates","191854","2020-10-21","18:00:00",""
"7227633","10.2483","0.0003","8.1749","0.0002","16.2529","0.0006","90","","102.182","0.003","90","","1330.99","0.07","100","2","100","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C17 H16 N2 O -","- C17 H16 N2 O -","- C68 H64 N8 O4 -","4","1","","Smirnov, Andrey S.; Nikolaev, Dmitriy N.; Gurzhiy, Vlad V.; Smirnov, Sergey N.; Suslonov, Vitaliy S.; Garabadzhiu, Alexander V.; Davidovich, Pavel B.","Conformational stabilization of isatin Schiff bases ‒ biologically active chemical probes","RSC Adv.","2017","7","17","10070","","10.1039/C6RA26779C","","","0.71073","MoKα","","0.0434","0.0377","","","0.0924","0.0965","","","","","","1.037","","","","has coordinates","191854","2020-10-21","18:00:00",""
"7227634","8.5182","0.0006","29.4795","0.0014","8.4782","0.0005","90","","115.15","0.008","90","","1927.1","0.2","100","2","100","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C23 H28 N2 O -","- C23 H28 N2 O -","- C92 H112 N8 O4 -","4","1","","Smirnov, Andrey S.; Nikolaev, Dmitriy N.; Gurzhiy, Vlad V.; Smirnov, Sergey N.; Suslonov, Vitaliy S.; Garabadzhiu, Alexander V.; Davidovich, Pavel B.","Conformational stabilization of isatin Schiff bases ‒ biologically active chemical probes","RSC Adv.","2017","7","17","10070","","10.1039/C6RA26779C","","","0.71073","MoKα","","0.0598","0.047","","","0.0994","0.1053","","","","","","1.07","","","","has coordinates","191854","2020-10-21","18:00:00",""
"7227635","7.8377","0.0002","8.33995","0.00019","31.7116","0.0006","85.8492","0.0017","85.7112","0.0018","69.989","0.002","1939.84","0.08","100","2","100","2","","","","","","","","4","P -1","-P 1","2","","","","- C24 H19 N3 O3 -","- C24 H19 N3 O3 -","- C96 H76 N12 O12 -","4","2","","Smirnov, Andrey S.; Nikolaev, Dmitriy N.; Gurzhiy, Vlad V.; Smirnov, Sergey N.; Suslonov, Vitaliy S.; Garabadzhiu, Alexander V.; Davidovich, Pavel B.","Conformational stabilization of isatin Schiff bases ‒ biologically active chemical probes","RSC Adv.","2017","7","17","10070","","10.1039/C6RA26779C","","","1.54184","CuKα","","0.0637","0.0608","","","0.1443","0.1456","","","","","","1.203","","","","has coordinates","191854","2020-10-21","18:00:00",""
"7227636","23.6723","0.0011","19.9737","0.0005","14.0418","0.0004","90","","101.024","0.003","90","","6516.8","0.4","100","2","100","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C15 H12 Br2 Hg N2 O -","- C15 H12 Br2 Hg N2 O -","- C240 H192 Br32 Hg16 N32 O16 -","16","4","","Smirnov, Andrey S.; Nikolaev, Dmitriy N.; Gurzhiy, Vlad V.; Smirnov, Sergey N.; Suslonov, Vitaliy S.; Garabadzhiu, Alexander V.; Davidovich, Pavel B.","Conformational stabilization of isatin Schiff bases ‒ biologically active chemical probes","RSC Adv.","2017","7","17","10070","","10.1039/C6RA26779C","","","0.71073","MoKα","","0.1071","0.0676","","","0.1179","0.1325","","","","","","1.127","","","","has coordinates","206489","2020-10-21","18:00:00",""
"7227637","7.2618","0.0003","11.2036","0.001","20.2141","0.0011","93.876","0.006","98.487","0.004","107.037","0.006","1544.48","0.18","100","2","100","2","","","","","","","","6","P -1","-P 1","2","","","","- C15 H12 Br2 Cd N2 O -","- C15 H12 Br2 Cd N2 O -","- C60 H48 Br8 Cd4 N8 O4 -","4","2","","Smirnov, Andrey S.; Nikolaev, Dmitriy N.; Gurzhiy, Vlad V.; Smirnov, Sergey N.; Suslonov, Vitaliy S.; Garabadzhiu, Alexander V.; Davidovich, Pavel B.","Conformational stabilization of isatin Schiff bases ‒ biologically active chemical probes","RSC Adv.","2017","7","17","10070","","10.1039/C6RA26779C","","x-ray","0.71073","MoKα","","0.0824","0.0685","","","0.1938","0.2022","","","","","","1.04","","","","has coordinates","191854","2020-10-21","18:00:00",""
"7227638","6.7734","0.0009","13.444","0.0018","11.9844","0.0016","90","","103.854","0.002","90","","1059.6","0.2","100","2","100","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C10 H12 Cl8 N2 Nb2 O2 -","- C10 H12 Cl8 N2 Nb2 O2 -","- C20 H24 Cl16 N4 Nb4 O4 -","2","0.5","","Biancalana, Lorenzo; Bortoluzzi, Marco; Ferretti, Eleonora; Hayatifar, Mohammad; Marchetti, Fabio; Pampaloni, Guido; Zacchini, Stefano","The reactions of α-amino acids and α-amino acid esters with high valent transition metal halides: synthesis of coordination complexes, activation processes and stabilization of α-ammonium acylchloride cations","RSC Adv.","2017","7","17","10158","","10.1039/C7RA00073A","","","0.71073","MoKα","","0.0476","0.0406","","","0.0874","0.0913","","","","","","1.065","","","","has coordinates","191855","2020-10-21","18:00:00",""
"7227639","6.9864","0.0004","12.7821","0.0007","20.9934","0.0011","90","","90","","90","","1874.73","0.18","100","2","100","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C11 H15 Cl7 N Nb O -","- C11 H15 Cl7 N Nb O -","- C44 H60 Cl28 N4 Nb4 O4 -","4","1","","Biancalana, Lorenzo; Bortoluzzi, Marco; Ferretti, Eleonora; Hayatifar, Mohammad; Marchetti, Fabio; Pampaloni, Guido; Zacchini, Stefano","The reactions of α-amino acids and α-amino acid esters with high valent transition metal halides: synthesis of coordination complexes, activation processes and stabilization of α-ammonium acylchloride cations","RSC Adv.","2017","7","17","10158","","10.1039/C7RA00073A","","","0.71073","MoKα","","0.0268","0.0249","","","0.057","0.0575","","","","","","1.214","","","","has coordinates","191855","2020-10-21","18:00:00",""
"7227640","8.065","0.003","18.492","0.007","10.184","0.004","90","","94.036","0.005","90","","1515.1","1","100","2","100","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C6 H16 Cl6 N Nb -","- C6 H16 Cl6 N Nb -","- C24 H64 Cl24 N4 Nb4 -","4","1","","Biancalana, Lorenzo; Bortoluzzi, Marco; Ferretti, Eleonora; Hayatifar, Mohammad; Marchetti, Fabio; Pampaloni, Guido; Zacchini, Stefano","The reactions of α-amino acids and α-amino acid esters with high valent transition metal halides: synthesis of coordination complexes, activation processes and stabilization of α-ammonium acylchloride cations","RSC Adv.","2017","7","17","10158","","10.1039/C7RA00073A","","","0.71073","MoKα","","0.071","0.0442","","","0.0779","0.087","","","","","","1.073","","","","has coordinates","191855","2020-10-21","18:00:00",""
"7227641","10.045","0.002","6.9628","0.0017","16.994","0.004","90","","106.428","0.003","90","","1140.1","0.4","100","2","100","2","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C7 H16 Cl11 N Nb2 O2 -","- C7 H16 Cl11 N Nb2 O2 -","- C14 H32 Cl22 N2 Nb4 O4 -","2","1","","Biancalana, Lorenzo; Bortoluzzi, Marco; Ferretti, Eleonora; Hayatifar, Mohammad; Marchetti, Fabio; Pampaloni, Guido; Zacchini, Stefano","The reactions of α-amino acids and α-amino acid esters with high valent transition metal halides: synthesis of coordination complexes, activation processes and stabilization of α-ammonium acylchloride cations","RSC Adv.","2017","7","17","10158","","10.1039/C7RA00073A","","","0.71073","MoKα","","0.0239","0.0217","","","0.042","0.0428","","","","","","1.023","","","","has coordinates","191855","2020-10-21","18:00:00",""
"7227642","10.1676","0.0016","17.3","0.003","17.485","0.003","90","","91.708","0.002","90","","3074.2","0.9","100","2","100","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C62 H52 Cd2 N8 O16 -","- C62 H52 Cd2 N8 O16 -","- C124 H104 Cd4 N16 O32 -","2","0.5","","Wu, Yu; Wu, Jian; Luo, Zhidong; Wang, Jun; Li, Yulong; Han, Yaoyao; Liu, Jianqiang","Fluorescence detection of Mn2+, Cr2O72− and nitroexplosives and photocatalytic degradation of methyl violet and rhodamine B based on two stable metal‒organic frameworks","RSC Adv.","2017","7","17","10415","","10.1039/C6RA28728J","","","0.71073","MoKα","","0.0465","0.0359","","","0.0951","0.1004","","","","","","1.051","","","","has coordinates","191911","2020-10-21","18:00:00",""
"7227643","9.413","0.002","18.749","0.005","17.387","0.005","90","","91.076","0.004","90","","3068","1.4","296","2","296","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C29 H17 N3 O5 Zn -","- C29 H17 N3 O5 Zn -","- C116 H68 N12 O20 Zn4 -","4","1","","Wu, Yu; Wu, Jian; Luo, Zhidong; Wang, Jun; Li, Yulong; Han, Yaoyao; Liu, Jianqiang","Fluorescence detection of Mn2+, Cr2O72− and nitroexplosives and photocatalytic degradation of methyl violet and rhodamine B based on two stable metal‒organic frameworks","RSC Adv.","2017","7","17","10415","","10.1039/C6RA28728J","","","0.71073","MoKα","","0.0996","0.0759","","","0.1901","0.1992","","","","","","1.062","","","","has coordinates","191911","2020-10-21","18:00:00",""
"7227644","9.4482","0.0009","10.0882","0.0009","14.7102","0.0013","72.942","0.003","82.84","0.003","64.91","0.003","1213.95","0.19","299","2","299","2","","","","","","","","5","P -1","-P 1","2","","","","- C26 H22 Cd N2 O6 -","- C26 H22 Cd N2 O6 -","- C52 H44 Cd2 N4 O12 -","2","1","","Ahmed, Faruk; Datta, Joydeep; Dutta, Basudeb; Naskar, Kaushik; Sinha, Chittaranjan; Alam, Seikh Mafiz; Kundu, Suman; Ray, Partha Pratim; Mir, Mohammad Hedayetullah","Cation dependent charge transport in linear dicarboxylate based isotypical 1D coordination polymers","RSC Adv.","2017","7","17","10369","","10.1039/C7RA00165G","","","0.71073","MoKα","","0.0651","0.0575","","","0.1419","0.1518","","","","","","1.135","","","","has coordinates","191912","2020-10-21","18:00:00",""
"7227645","9.8479","0.0004","27.7163","0.0013","9.3837","0.0004","90","","114.841","0.001","90","","2324.28","0.18","293","2","293","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C26 H22 N2 O6 Zn -","- C26 H22 N2 O6 Zn -","- C104 H88 N8 O24 Zn4 -","4","0.5","","Ahmed, Faruk; Datta, Joydeep; Dutta, Basudeb; Naskar, Kaushik; Sinha, Chittaranjan; Alam, Seikh Mafiz; Kundu, Suman; Ray, Partha Pratim; Mir, Mohammad Hedayetullah","Cation dependent charge transport in linear dicarboxylate based isotypical 1D coordination polymers","RSC Adv.","2017","7","17","10369","","10.1039/C7RA00165G","","","0.71073","MoKα","","0.0492","0.0447","","","0.1138","0.118","","","","","","1.069","","","","has coordinates","191912","2020-10-21","18:00:00",""
"7227646","16.028","0.005","12.352","0.004","17.52","0.005","90","","104.455","0.019","90","","3358.8","1.8","108","2","108","2","","","","","","","","3","I 1 2/a 1","-I 2ya","15","","Bis(trifluormethyl)dimethylfluoranthen","","- C22 H16 F6 -","- C22 H16 F6 -","- C176 H128 F48 -","8","1","","Schmidt, Bernd M.; Meyer, Annika K.; Lentz, Dieter","Solid state structures of fluorine-rich fluoranthenes","CrystEngComm","2017","19","9","1328","","10.1039/C6CE02558G","","","0.71073","MoKα","","0.0516","0.0352","","","0.0883","0.1009","","","","","","1.04","","","","has coordinates","193769","2020-10-21","18:00:00",""
"7227647","11.817","0.003","21.237","0.004","8.258","0.0016","90","","97.474","0.002","90","","2054.8","0.8","153","","153","","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C24 H14 F12 -","- C24 H14 F12 -","- C96 H56 F48 -","4","1","","Schmidt, Bernd M.; Meyer, Annika K.; Lentz, Dieter","Solid state structures of fluorine-rich fluoranthenes","CrystEngComm","2017","19","9","1328","","10.1039/C6CE02558G","","","0.71075","MoKα","","","0.0504","","","","0.0599","","","","","","3.246","","","","has coordinates","193769","2020-10-21","18:00:00",""
"7227648","30.365","0.011","12.085","0.004","13.365","0.004","90","","90","","90","","4904","3","133","2","133","2","","","","","","","","3","P c c n","-P 2ab 2ac","56","","","","- C32 H16 F10 -","- C32 H16 F10 -","- C256 H128 F80 -","8","1","","Schmidt, Bernd M.; Meyer, Annika K.; Lentz, Dieter","Solid state structures of fluorine-rich fluoranthenes","CrystEngComm","2017","19","9","1328","","10.1039/C6CE02558G","","","0.71073","MoKα","","0.0914","0.0663","","","0.1364","0.1477","","","","","","1.093","","","","has coordinates,has disorder","193769","2020-10-21","18:00:00",""
"7227649","8.943","0.002","9.827","0.002","21.451","0.005","90","","97.064","0.005","90","","1870.9","0.7","100","2","100","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C23 H15 F9 -","- C23 H14 F9 -","- C92 H56 F36 -","4","1","","Schmidt, Bernd M.; Meyer, Annika K.; Lentz, Dieter","Solid state structures of fluorine-rich fluoranthenes","CrystEngComm","2017","19","9","1328","","10.1039/C6CE02558G","","","0.71073","MoKα","","0.0538","0.0474","","","0.1089","0.1116","","","","","","1.218","","","","has coordinates","193769","2020-10-21","18:00:00",""
"7227650","12.017","0.002","7.1071","0.0014","35.635","0.007","90","","92.848","0.005","90","","3039.7","1","133","2","133","2","","","","","","","","3","I 1 2/a 1","-I 2ya","15","","","","- C22 H16 N2 -","- C22 H16 N2 -","- C176 H128 N16 -","8","1","","Schmidt, Bernd M.; Meyer, Annika K.; Lentz, Dieter","Solid state structures of fluorine-rich fluoranthenes","CrystEngComm","2017","19","9","1328","","10.1039/C6CE02558G","","","0.71073","MoKα","","0.0596","0.0462","","","0.1194","0.1313","","","","","","1.062","","","","has coordinates","193769","2020-10-21","18:00:00",""
"7227651","12.479","0.002","11.3269","0.0019","29.181","0.005","90","","101.941","0.002","90","","4035.4","1.2","123","2","123","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C24 H14 F12 -","- C24 H14 F12 -","- C192 H112 F96 -","8","2","","Schmidt, Bernd M.; Meyer, Annika K.; Lentz, Dieter","Solid state structures of fluorine-rich fluoranthenes","CrystEngComm","2017","19","9","1328","","10.1039/C6CE02558G","","","0.71069","MoKα","","0.0585","0.0505","","","0.1387","0.1453","","","","","","1.051","","","","has coordinates","202518","2020-10-21","18:00:00",""
"7227652","21.1643","0.0012","11.9365","0.0006","12.8317","0.0008","90","","106.535","0.002","90","","3107.6","0.3","100","2","100","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C21 H17 F3 -","- C21 H17 F3 -","- C168 H136 F24 -","8","2","","Schmidt, Bernd M.; Meyer, Annika K.; Lentz, Dieter","Solid state structures of fluorine-rich fluoranthenes","CrystEngComm","2017","19","9","1328","","10.1039/C6CE02558G","","","0.71073","MoKα","","0.0929","0.0567","","","0.1301","0.146","","","","","","1.018","","","","has coordinates","202518","2020-10-21","18:00:00",""
"7227653","7.8051","0.0009","13.136","0.0015","14.1342","0.0015","78.497","0.009","85.326","0.009","85.781","0.01","1412.9","0.3","298","2","298","2","","","","","","","","7","P -1","-P 1","2","","","","- C44 H28 F8 Hg3 I6 N12 O4 -","- C44 H28 F8 Hg3 I6 N12 O4 -","- C44 H28 F8 Hg3 I6 N12 O4 -","1","0.5","","Khavasi, Hamid Reza; Rahimi, Narjes","Are fluorine-based contacts predictable? A case study in three similar coordination compounds","CrystEngComm","2017","19","10","1361","","10.1039/C6CE02598F","","","0.71073","MoKα","","0.0953","0.0875","","","0.1825","0.1919","","","","","","0.935","","","","has coordinates","195018","2020-10-21","18:00:00",""
"7227654","10.988","0.003","3.9173","0.0009","31.538","0.009","90","","99.68","0.02","90","","1338.2","0.6","298","2","298","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C11 H7 Cl2 F2 Hg N3 O -","- C11 H7 Cl2 F2 Hg N3 O -","- C44 H28 Cl8 F8 Hg4 N12 O4 -","4","1","","Khavasi, Hamid Reza; Rahimi, Narjes","Are fluorine-based contacts predictable? A case study in three similar coordination compounds","CrystEngComm","2017","19","10","1361","","10.1039/C6CE02598F","","","0.71073","MoKα","","0.0965","0.0941","","","0.1497","0.1981","","","","","","0.968","","","","has coordinates","195018","2020-10-21","18:00:00",""
"7227655","6.7713","0.0012","12.7185","0.0015","33.489","0.004","90","","90","","90","","2884.1","0.7","298","2","298","2","","","","","","","","7","P b c a","-P 2ac 2ab","61","","","","- C11 H7 Br2 F2 Hg N3 O -","- C11 H7 Br2 F2 Hg N3 O -","- C88 H56 Br16 F16 Hg8 N24 O8 -","8","1","","Khavasi, Hamid Reza; Rahimi, Narjes","Are fluorine-based contacts predictable? A case study in three similar coordination compounds","CrystEngComm","2017","19","10","1361","","10.1039/C6CE02598F","","","0.71073","MoKα","","0.0998","0.0928","","","0.1944","0.1996","","","","","","1.032","","","","has coordinates","195018","2020-10-21","18:00:00",""
"7227656","7.4184","0.0004","10.1888","0.0006","18.148","0.0013","90","","91.187","0.004","90","","1371.41","0.15","100","2","100","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C12 H10 Cl2 N4 O Zn -","- C12 H10 Cl2 N4 O Zn -","- C48 H40 Cl8 N16 O4 Zn4 -","4","1","","Afkhami, Farhad Akbari; Khandar, Ali Akbar; Mahmoudi, Ghodrat; Maniukiewicz, Waldemar; Gurbanov, Atash V.; Zubkov, Fedor I.; Şahin, Onur; Yesilel, Okan Zafer; Frontera, Antonio","Chelate ring stacking interactions in the supramolecular assemblies of Zn(ii)and Cd(ii) coordination compounds: a combined experimental and theoretical study","CrystEngComm","2017","19","10","1389","","10.1039/C6CE02666D","","","0.71073","MoKα","","0.0429","0.0384","","","0.0915","0.0934","","","","","","1.046","","","","has coordinates","208163","2020-10-21","18:00:00",""
"7227657","29.767","0.0012","10.3466","0.0004","25.8735","0.001","90","","98.543","0.002","90","","7880.3","0.5","100","","100","","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C72 H52 I6 N16 O8 Zn5 -","- C72 H52 I6 N16 O8 Zn5 -","- C288 H208 I24 N64 O32 Zn20 -","4","0.5","","Afkhami, Farhad Akbari; Khandar, Ali Akbar; Mahmoudi, Ghodrat; Maniukiewicz, Waldemar; Gurbanov, Atash V.; Zubkov, Fedor I.; Şahin, Onur; Yesilel, Okan Zafer; Frontera, Antonio","Chelate ring stacking interactions in the supramolecular assemblies of Zn(ii)and Cd(ii) coordination compounds: a combined experimental and theoretical study","CrystEngComm","2017","19","10","1389","","10.1039/C6CE02666D","","","0.71073","MoKα","","0.088","0.0538","","","0.1108","0.1243","","","","","","1.02","","","","has coordinates","195016","2020-10-21","18:00:00",""
"7227658","7.6877","0.0014","10.3625","0.0019","18.182","0.003","90","","91.183","0.002","90","","1448.1","0.4","100","2","100","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C12 H10 Br2 N4 O Zn -","- C12 H10 Br2 N4 O Zn -","- C48 H40 Br8 N16 O4 Zn4 -","4","1","","Afkhami, Farhad Akbari; Khandar, Ali Akbar; Mahmoudi, Ghodrat; Maniukiewicz, Waldemar; Gurbanov, Atash V.; Zubkov, Fedor I.; Şahin, Onur; Yesilel, Okan Zafer; Frontera, Antonio","Chelate ring stacking interactions in the supramolecular assemblies of Zn(ii)and Cd(ii) coordination compounds: a combined experimental and theoretical study","CrystEngComm","2017","19","10","1389","","10.1039/C6CE02666D","","","0.71073","MoKα","","0.0474","0.0377","","","0.0884","0.0931","","","","","","1.078","","","","has coordinates","195016","2020-10-21","18:00:00",""
"7227659","9.1458","0.0006","11.706","0.0009","18.2478","0.0012","80.629","0.009","77.512","0.008","88.044","0.009","1881.9","0.2","213","2","213","2","","","","","","","","6","P -1","-P 1","2","","","","- C18 H14 Br2 N4 O Zn -","- C18 H14 Br2 N4 O Zn -","- C72 H56 Br8 N16 O4 Zn4 -","4","2","","Afkhami, Farhad Akbari; Khandar, Ali Akbar; Mahmoudi, Ghodrat; Maniukiewicz, Waldemar; Gurbanov, Atash V.; Zubkov, Fedor I.; Şahin, Onur; Yesilel, Okan Zafer; Frontera, Antonio","Chelate ring stacking interactions in the supramolecular assemblies of Zn(ii)and Cd(ii) coordination compounds: a combined experimental and theoretical study","CrystEngComm","2017","19","10","1389","","10.1039/C6CE02666D","","","0.71073","MoKα","","0.0477","0.0287","","","0.0579","0.0608","","","","","","0.826","","","","has coordinates","195016","2020-10-21","18:00:00",""
"7227660","9.0285","0.0006","11.7143","0.0008","17.5898","0.0011","82.781","0.008","78.436","0.005","88.107","0.008","1808.1","0.2","213","2","213","2","","","","","","","","6","P -1","-P 1","2","","","","- C18 H14 Cl2 N4 O Zn -","- C18 H14 Cl2 N4 O Zn -","- C72 H56 Cl8 N16 O4 Zn4 -","4","2","","Afkhami, Farhad Akbari; Khandar, Ali Akbar; Mahmoudi, Ghodrat; Maniukiewicz, Waldemar; Gurbanov, Atash V.; Zubkov, Fedor I.; Şahin, Onur; Yesilel, Okan Zafer; Frontera, Antonio","Chelate ring stacking interactions in the supramolecular assemblies of Zn(ii)and Cd(ii) coordination compounds: a combined experimental and theoretical study","CrystEngComm","2017","19","10","1389","","10.1039/C6CE02666D","","","0.71073","MoKα","","0.0374","0.029","","","0.0742","0.0759","","","","","","0.949","","","","has coordinates","195016","2020-10-21","18:00:00",""
"7227661","9.2443","0.0018","10.2822","0.0013","14.4976","0.0016","82.264","0.01","86.277","0.013","88.43","0.013","1362.4","0.4","173","","173","","","","","","","","","5","P -1","-P 1","2","","","","- C24 H22 Cd N10 O9 -","- C24 H22 Cd N10 O9 -","- C48 H44 Cd2 N20 O18 -","2","1","","Afkhami, Farhad Akbari; Khandar, Ali Akbar; Mahmoudi, Ghodrat; Maniukiewicz, Waldemar; Gurbanov, Atash V.; Zubkov, Fedor I.; Şahin, Onur; Yesilel, Okan Zafer; Frontera, Antonio","Chelate ring stacking interactions in the supramolecular assemblies of Zn(ii)and Cd(ii) coordination compounds: a combined experimental and theoretical study","CrystEngComm","2017","19","10","1389","","10.1039/C6CE02666D","","","0.71073","MoKα","","0.0883","0.0524","","","0.0708","0.0771","","","","","","1.019","","","","has coordinates","195016","2020-10-21","18:00:00",""
"7227662","9.347","0.0014","11.475","0.0012","18.59","0.002","78.554","0.005","76.342","0.006","87.434","0.004","1899","0.4","100","","100","","","","","","","","","6","P -1","-P 1","2","","","","- C18 H14 Br2 Cd N4 O -","- C18 H14 Br2 Cd N4 O -","- C72 H56 Br8 Cd4 N16 O4 -","4","2","","Afkhami, Farhad Akbari; Khandar, Ali Akbar; Mahmoudi, Ghodrat; Maniukiewicz, Waldemar; Gurbanov, Atash V.; Zubkov, Fedor I.; Şahin, Onur; Yesilel, Okan Zafer; Frontera, Antonio","Chelate ring stacking interactions in the supramolecular assemblies of Zn(ii)and Cd(ii) coordination compounds: a combined experimental and theoretical study","CrystEngComm","2017","19","10","1389","","10.1039/C6CE02666D","","","0.71073","MoKα","","0.0366","0.0284","","","0.0566","0.0597","","","","","","1.045","","","","has coordinates","195016","2020-10-21","18:00:00",""
"7227663","10.827","0.0002","11.86","0.0002","34.3648","0.0007","90","","94.6387","0.0013","90","","4398.27","0.14","273","2","273","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C107 H96 B2 N4 O -","- C107 H96 B2 N4 O -","- C214 H192 B4 N8 O2 -","2","0.5","","You, Dong Kyun; Lee, Seon Hee; Lee, Ji Hye; Kwak, Sang Woo; Hwang, Hyonseok; Lee, Junseong; Chung, Yongseog; Park, Myung Hwan; Lee, Kang Mun","Synthesis and photophysical properties of phenanthroimidazole‒triarylborane dyads: intriguing ‘turn-on’ sensing mediated by fluoride anions","RSC Adv.","2017","7","17","10345","","10.1039/C6RA28559G","","","0.71073","MoKα","","0.1708","0.0769","","","0.2207","0.2688","","","","","","1.044","","","","has coordinates","191930","2020-10-21","18:00:00",""
"7227664","8.6872","0.0002","13.4379","0.0003","17.4444","0.0004","84.593","0.002","83.569","0.002","84.507","0.002","2007.12","0.08","296","2","296","2","","","","","","","","4","P -1","-P 1","2","","","","- C45 H39 B N2 -","- C45 H39 B N2 -","- C90 H78 B2 N4 -","2","1","","You, Dong Kyun; Lee, Seon Hee; Lee, Ji Hye; Kwak, Sang Woo; Hwang, Hyonseok; Lee, Junseong; Chung, Yongseog; Park, Myung Hwan; Lee, Kang Mun","Synthesis and photophysical properties of phenanthroimidazole‒triarylborane dyads: intriguing ‘turn-on’ sensing mediated by fluoride anions","RSC Adv.","2017","7","17","10345","","10.1039/C6RA28559G","","","0.71073","MoKα","","0.1099","0.0561","","","0.1315","0.1469","","","","","","1.009","","","","has coordinates,has disorder","191931","2020-10-21","18:00:00",""
"7227665","11.731","0.004","10.216","0.004","15.667","0.006","90","","96.915","0.007","90","","1863.9","1.2","293","2","293","2","","","","","","","","2","P 1 21/c 1","-P 2ybc","14","","","","- C22 H26 -","- C22 H26 -","- C88 H104 -","4","1","","Yang, Junwei; Huang, Wei; Lin, Tingting; Pan, Xiaoyong; Zhu, Haoyun; Huang, Yuli; Wang, Weizhi","Intramolecular oxidative cyclodehydrogenation route for the synthesis of strap-like conjugated polymers","RSC Adv.","2017","7","18","10763","","10.1039/C6RA25214A","","","0.71073","MoKα","","0.1394","0.0967","","","0.1832","0.1951","","","","","","1.013","","","","has coordinates","191932","2020-10-21","18:00:00",""
"7227666","10.991","0.018","12.54","0.02","13.97","0.04","108.83","0.05","103.58","0.05","104.77","0.03","1653","6","296","2","296","2","","","","","","","","4","P -1","-P 1","2","","","","- C34 H50 B2 O4 -","- C34 H50 B2 O4 -","- C68 H100 B4 O8 -","2","1","","Yang, Junwei; Huang, Wei; Lin, Tingting; Pan, Xiaoyong; Zhu, Haoyun; Huang, Yuli; Wang, Weizhi","Intramolecular oxidative cyclodehydrogenation route for the synthesis of strap-like conjugated polymers","RSC Adv.","2017","7","18","10763","","10.1039/C6RA25214A","","","0.71073","MoKα","","0.1805","0.1322","","","0.2363","0.2686","","","","","","1.196","","","","has coordinates","191932","2020-10-21","18:00:00",""
"7227667","10.021","0.0003","16.1986","0.0005","18.3286","0.0005","76.43","0.003","87.497","0.002","74.082","0.003","2780.58","0.15","93","","93","","","","","","","","","5","P -1","-P 1","2","","","","- C58 H36 Cl8 O8 S4 -","- C58 H36 Cl8 O8 S4 -","- C116 H72 Cl16 O16 S8 -","2","1","","Hisaki, Ichiro; Affendy, Emilya N. Q.; Tohnai, Norimitsu","Precise Elucidations on Stacking Manners of Hydrogen-Bonded Two-Dimensional Organic Frameworks Composed of X-Shaped π-Conjugated Systems","CrystEngComm","2017","","","","","10.1039/C7CE00183E","","","0.8","synchrotron","","0.0612","0.054","","","0.1623","0.1724","","","","","","1.034","","","","has coordinates","191959","2020-10-21","18:00:00",""
"7227668","5.60869","0.0001","14.7726","0.0004","18.7946","0.0005","75.237","0.002","82.3657","0.0018","88.599","0.0019","1492.4","0.06","113","","113","","","","","","","","","4","P -1","-P 1","2","","","","- C38 H22 N4 O8 -","- C38 H22 N4 O8 -","- C38 H22 N4 O8 -","1","0.5","","Hisaki, Ichiro; Affendy, Emilya N. Q.; Tohnai, Norimitsu","Precise Elucidations on Stacking Manners of Hydrogen-Bonded Two-Dimensional Organic Frameworks Composed of X-Shaped π-Conjugated Systems","CrystEngComm","2017","","","","","10.1039/C7CE00183E","","","1.54187","CuKα","","0.0819","0.0765","","","0.266","0.2723","","","","","","1.107","","","","has coordinates","191959","2020-10-21","18:00:00",""
"7227669","19.4377","0.0015","30.6822","0.0012","9.1127","0.0008","90","","90","","90","","5434.7","0.7","253","","253","","","","","","","","","3","P b c n","-P 2n 2ab","60","","","","- C34 H22 O8 -","- C34 H22 O8 -","- C136 H88 O32 -","4","0.5","","Hisaki, Ichiro; Affendy, Emilya N. Q.; Tohnai, Norimitsu","Precise Elucidations on Stacking Manners of Hydrogen-Bonded Two-Dimensional Organic Frameworks Composed of X-Shaped π-Conjugated Systems","CrystEngComm","2017","","","","","10.1039/C7CE00183E","","","1.54187","CuKα","","0.172","0.1026","","","0.3133","0.3439","","","","","","1.36","","","","has coordinates","191959","2020-10-21","18:00:00",""
"7227670","6.0657","0.0004","11.6494","0.001","14.2527","0.0012","104.148","0.007","102.007","0.006","92.918","0.006","949.69","0.14","296.9","0.6","296.9","0.6","","","","","","","","4","P -1","-P 1","2","","RJ-17","","- C23 H21 Cl N2 -","- C23 H21 Cl N2 -","- C46 H42 Cl2 N4 -","2","1","","Jamatia, Ramen; Gupta, Ajay; Dam, Binoyargha; Saha, Mithu; Pal, Amarta Kumar","Graphite oxide: a metal free highly efficient carbocatalyst for the synthesis of 1,5-benzodiazepines under room temperature and solvent free heating conditions","Green Chem.","2017","19","6","1576","","10.1039/C6GC03110B","","","0.7107","MoKα","","0.084562","0.056699","","","","0.138382","","","","","","1.04758","","","","has coordinates","195141","2020-10-21","18:00:00",""
"7227671","9.1382","0.0013","9.8141","0.0015","24.597","0.004","90","","90","","90","","2205.9","0.6","173.15","","173.15","","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C25 H24 N2 O4 S -","- C25 H24 N2 O4 S -","- C100 H96 N8 O16 S4 -","4","1","","Li, Feifei; Cao, Guorui; Gao, Yanfeng; Teng, Dawei","Cu(ii)/DM-Segphos catalyzed asymmetric 1,3-dipolar cycloaddition of benzoisothiazole-2,2-dioxide-3-ylidenes and azomethine ylides","RSC Adv.","2017","7","18","10816","","10.1039/C6RA26543J","","","0.71073","MoKα","","0.0342","0.0339","","","0.0811","0.0813","","","","","","1.072","","","","has coordinates","191970","2020-10-21","18:00:00",""
"7227672","19.627","0.002","7.315","0.001","23.51","0.003","90","","114.567","0.008","90","","3069.8","0.7","100","2","100","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C30 H45 N3 O9 -","- C30 H45 N3 O9 -","- C120 H180 N12 O36 -","4","1","","Lynes, Amy D.; Hawes, Chris S.; Ward, Edward N.; Haffner, Benjamin; Möbius, Matthias E.; Byrne, Kevin; Schmitt, Wolfgang; Pal, Robert; Gunnlaugsson, Thorfinnur","Benzene-1,3,5-tricarboxamide n-alkyl ester and carboxylic acid derivatives: tuneable structural, morphological and thermal properties","CrystEngComm","2017","19","10","1427","","10.1039/C7CE00206H","","","1.54178","CuKα","","0.202","0.0884","","","0.2088","0.2795","","","","","","0.969","","","","has coordinates,has disorder","195020","2020-10-21","18:00:00",""
"7227673","24.6517","0.0013","4.7182","0.0003","25.6558","0.0012","90","","96.827","0.004","90","","2962.9","0.3","100","2","99.99","","","","","","","","","4","P 1 2/n 1","-P 2yac","13","","","","- C24 H43 N3 O14 -","- C24 H43 N3 O14 -","- C96 H172 N12 O56 -","4","1","","Lynes, Amy D.; Hawes, Chris S.; Ward, Edward N.; Haffner, Benjamin; Möbius, Matthias E.; Byrne, Kevin; Schmitt, Wolfgang; Pal, Robert; Gunnlaugsson, Thorfinnur","Benzene-1,3,5-tricarboxamide n-alkyl ester and carboxylic acid derivatives: tuneable structural, morphological and thermal properties","CrystEngComm","2017","19","10","1427","","10.1039/C7CE00206H","","","1.54178","CuKα","","0.0729","0.0547","","","0.1396","0.1547","","","","","","1.026","","","","has coordinates","195020","2020-10-21","18:00:00",""
"7227674","15.5682","0.0006","15.5682","0.0006","6.8268","0.0003","90","","90","","120","","1432.93","0.1","100","2","99.99","","","","","","","","","4","P 63/m","-P 6c","176","","","","- C27 H39 N3 O9 -","- C27 H39 N3 O9 -","- C54 H78 N6 O18 -","2","0.166667","","Lynes, Amy D.; Hawes, Chris S.; Ward, Edward N.; Haffner, Benjamin; Möbius, Matthias E.; Byrne, Kevin; Schmitt, Wolfgang; Pal, Robert; Gunnlaugsson, Thorfinnur","Benzene-1,3,5-tricarboxamide n-alkyl ester and carboxylic acid derivatives: tuneable structural, morphological and thermal properties","CrystEngComm","2017","19","10","1427","","10.1039/C7CE00206H","","","1.54178","CuKα","","0.0615","0.0533","","","0.1608","0.1674","","","","","","1.064","","","","has coordinates,has disorder","195020","2020-10-21","18:00:00",""
"7227675","4.9042","0.0002","16.9098","0.0006","17.0515","0.0007","77.472","0.003","87.209","0.004","83.111","0.003","1370.05","0.09","100","2","100","","","","","","","","","4","P -1","-P 1","2","","","","- C21 H27 N3 O9 -","- C21 H27 N3 O9 -","- C42 H54 N6 O18 -","2","1","","Lynes, Amy D.; Hawes, Chris S.; Ward, Edward N.; Haffner, Benjamin; Möbius, Matthias E.; Byrne, Kevin; Schmitt, Wolfgang; Pal, Robert; Gunnlaugsson, Thorfinnur","Benzene-1,3,5-tricarboxamide n-alkyl ester and carboxylic acid derivatives: tuneable structural, morphological and thermal properties","CrystEngComm","2017","19","10","1427","","10.1039/C7CE00206H","","","1.54178","CuKα","","0.0854","0.0581","","","0.1507","0.1651","","","","","","1.045","","","","has coordinates","195020","2020-10-21","18:00:00",""
"7227676","8.0533","0.0008","25.607","0.003","45.045","0.005","90","","90","","90","","9289.2","1.8","123","","123","","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C15 H13 Co N2 -","- C15 H13 Co N2 -","- C480 H416 Co32 N64 -","32","4","","Reinhardt, Maxwell; Dalgleish, Simon; Shuku, Yoshiaki; Reissig, Louisa; Matsushita, Michio M.; Crain, Jason; Awaga, Kunio; Robertson, Neil","Molecular and thin film properties of cobalt half-sandwich compounds for optoelectronic application.","Physical chemistry chemical physics : PCCP","2017","19","9","6768","6776","10.1039/c6cp08685c","","","0.71075","MoKα","","0.0686","0.051","","","0.1044","0.1138","","","","","","1.089","","","","has coordinates","193917","2020-10-21","18:00:00",""
"7227677","14.214","0.002","9.8017","0.0014","19.392","0.003","90","","95.548","0.004","90","","2689.1","0.7","130","2","130","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C13 H15 Cl N2 S -","- C13 H15 Cl N2 S -","- C104 H120 Cl8 N16 S8 -","8","2","","Saeed, Aamer; Flörke, Ulrich; Fantoni, Adolfo; Khurshid, Asma; Pérez, Hiram; Erben, Mauricio F.","Close insight into the nature of intermolecular interactions in dihydropyrimidine-2(1H)-thione derivatives","CrystEngComm","2017","19","11","1495","","10.1039/C6CE02619B","","","0.71073","MoKα","","0.08","0.0499","","","0.1064","0.1149","","","","","","0.934","","","","has coordinates","195042","2020-10-21","18:00:00",""
"7227678","12.228","0.003","8.896","0.002","14.798","0.004","90","","113.166","0.006","90","","1479.9","0.6","130","2","130","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C15 H20 N2 S -","- C15 H20 N2 S -","- C60 H80 N8 S4 -","4","1","","Saeed, Aamer; Flörke, Ulrich; Fantoni, Adolfo; Khurshid, Asma; Pérez, Hiram; Erben, Mauricio F.","Close insight into the nature of intermolecular interactions in dihydropyrimidine-2(1H)-thione derivatives","CrystEngComm","2017","19","11","1495","","10.1039/C6CE02619B","","","0.71073","MoKα","","0.1389","0.0544","","","0.0865","0.1042","","","","","","0.765","","","","has coordinates","195042","2020-10-21","18:00:00",""
"7227679","12.072","0.004","7.01","0.002","17.035","0.005","90","","101.402","0.007","90","","1413.1","0.7","130","2","130","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C13 H14 Cl2 N2 S -","- C13 H14 Cl2 N2 S -","- C52 H56 Cl8 N8 S4 -","4","1","","Saeed, Aamer; Flörke, Ulrich; Fantoni, Adolfo; Khurshid, Asma; Pérez, Hiram; Erben, Mauricio F.","Close insight into the nature of intermolecular interactions in dihydropyrimidine-2(1H)-thione derivatives","CrystEngComm","2017","19","11","1495","","10.1039/C6CE02619B","","","0.71073","MoKα","","0.1","0.0537","","","0.1075","0.1259","","","","","","1.008","","","","has coordinates","195042","2020-10-21","18:00:00",""
"7227680","8.729","0.003","9.683","0.003","10.503","0.004","64.578","0.005","78.685","0.006","63.892","0.006","719.9","0.4","130","2","130","2","","","","","","","","5","P -1","-P 1","2","","","","- C14 H18 N2 O S -","- C14 H18 N2 O S -","- C28 H36 N4 O2 S2 -","2","1","","Saeed, Aamer; Flörke, Ulrich; Fantoni, Adolfo; Khurshid, Asma; Pérez, Hiram; Erben, Mauricio F.","Close insight into the nature of intermolecular interactions in dihydropyrimidine-2(1H)-thione derivatives","CrystEngComm","2017","19","11","1495","","10.1039/C6CE02619B","","","0.71073","MoKα","","0.108","0.0522","","","0.0852","0.0999","","","","","","0.824","","","","has coordinates","195042","2020-10-21","18:00:00",""
"7227681","8.3433","0.0013","12.2995","0.0018","15.029","0.002","85.243","0.005","84.81","0.005","87.894","0.005","1530","0.4","296","2","296","2","","","","","","","","6","P -1","-P 1","2","","Complex1","","- C20 H26 N3 O9 S Zn2 -","- C20 H26 N3 O9 S Zn2 -","- C40 H52 N6 O18 S2 Zn4 -","2","1","","Naskar, Barnali; Modak, Ritwik; Maiti, Dilip K.; Bauzá, Antonio; Frontera, Antonio; Maiti, Pulak Kumar; Mandal, Sukhendu; Goswami, Sanchita","A highly selective “ON‒OFF” probe for colorimetric and fluorometric sensing of Cu2+ in water","RSC Adv.","2017","7","19","11312","","10.1039/C6RA27017D","","","0.71073","MoKα","","0.2431","0.2368","","","0.6462","0.6685","","","","","","0.95","","","","has coordinates","192054","2020-10-21","18:00:00",""
"7227682","13.6312","0.0002","23.5061","0.0004","24.2909","0.0004","90","","90","","90","","7783.2","0.2","200","0.14","200","0.14","","","","","","","","7","P b c a","-P 2ac 2ab","61","","","","- C45 H47 B4 Cl11 F16 I6 N12 -","- C45 H47 B4 Cl11 F16 I6 N12 -","- C180 H188 B16 Cl44 F64 I24 N48 -","4","0.5","","Ruiz-Botella, Sheila; Vidossich, Pietro; Ujaque, Gregori; Peris, Eduardo; Beer, Paul D.","Tripodal halogen bonding iodo-azolium receptors for anion recognition","RSC Adv.","2017","7","19","11253","","10.1039/C6RA28082J","","","0.71073","MoKα","","0.0596","0.0408","","","0.106","0.1209","","","","","","1.086","","","","has coordinates,has disorder","192055","2020-10-21","18:00:00",""
"7227683","8.501","0.0004","8.6149","0.0004","13.9713","0.0006","91.269","0.002","94.756","0.002","114.531","0.002","925.82","0.07","100","2","100","2","","","","","","","","4","P -1","-P 1","2","","","","- C24 H21 N3 O -","- C24 H21 N3 O -","- C48 H42 N6 O2 -","2","1","","Hasan, Phool; Aneja, Babita; Masood, Mir M.; Ahmad, Md. Belal; Yadava, Umesh; Daniliuc, Constantin G.; Abid, Mohammad","Efficient synthesis of novel N-substituted 2-carboxy-4-quinolones via lithium bis(trimethylsilyl)amide (LiHMDS)-induced in situ cyclocondensation reaction","RSC Adv.","2017","7","19","11367","","10.1039/C6RA28631C","","","0.71073","MoKα","","0.0529","0.0427","","","0.1031","0.1095","","","","","","1.055","","","","has coordinates","192056","2020-10-21","18:00:00",""
"7227684","14.5288","0.001","5.2501","0.0004","17.6225","0.0012","90","","113.257","0.004","90","","1234.98","0.16","100","2","100","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C14 H13 Cl N2 O -","- C14 H13 Cl N2 O -","- C56 H52 Cl4 N8 O4 -","4","1","","Hasan, Phool; Aneja, Babita; Masood, Mir M.; Ahmad, Md. Belal; Yadava, Umesh; Daniliuc, Constantin G.; Abid, Mohammad","Efficient synthesis of novel N-substituted 2-carboxy-4-quinolones via lithium bis(trimethylsilyl)amide (LiHMDS)-induced in situ cyclocondensation reaction","RSC Adv.","2017","7","19","11367","","10.1039/C6RA28631C","","","1.54178","CuKα","","0.2002","0.18","","","0.3342","0.3428","","","","","","1.328","","","","has coordinates","192056","2020-10-21","18:00:00",""
"7227685","24.6076","0.0013","9.1723","0.0003","19.6702","0.0014","90","","110.211","0.007","90","","4166.4","0.4","293","2","293","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C16 H18 Br Cl2 N5 O2 Zn -","- C16 H18 Br Cl2 N5 O2 Zn -","- C128 H144 Br8 Cl16 N40 O16 Zn8 -","8","2","","Mandal, Arkalekha; Patel, Bhisma K.; Shukla, Rahul; Chopra, Deepak","Impact of the complementary electronic nature of C‒X and M‒X halogens and intramolecular X⋯O interaction on supramolecular assemblies of Zn(ii) complexes of o-halophenyl substituted hydrazides","CrystEngComm","2017","19","12","1607","","10.1039/C7CE00060J","","","0.71073","MoKα","","0.0813","0.0436","","","0.0822","0.0979","","","","","","0.994","","","","has coordinates","195043","2020-10-21","18:00:00",""
"7227686","24.5875","0.0009","9.1372","0.0003","19.5598","0.0007","90","","109.513","0.002","90","","4141.9","0.3","296","2","296","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C16 H18 Cl3 N5 O2 Zn -","- C16 H18 Cl3 N5 O2 Zn -","- C128 H144 Cl24 N40 O16 Zn8 -","8","2","","Mandal, Arkalekha; Patel, Bhisma K.; Shukla, Rahul; Chopra, Deepak","Impact of the complementary electronic nature of C‒X and M‒X halogens and intramolecular X⋯O interaction on supramolecular assemblies of Zn(ii) complexes of o-halophenyl substituted hydrazides","CrystEngComm","2017","19","12","1607","","10.1039/C7CE00060J","","","0.71073","MoKα","","0.0991","0.0423","","","0.0948","0.1127","","","","","","1.02","","","","has coordinates","195043","2020-10-21","18:00:00",""
"7227687","13.6983","0.0009","15.3878","0.0009","22.9945","0.0015","90","","96.396","0.002","90","","4816.8","0.5","296","2","296.15","","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C43 H44 N9 O15 Si Zn3 -","- C43 H36 N9 O15 Si Zn3 -","- C172 H144 N36 O60 Si4 Zn12 -","4","1","","Hui, Yuan-Feng; Kang, Chun-Li; Tian, Tao; Dang, Song; Ai, Jing; Liu, Chao; Tian, Hong-Rui; Sun, Zhong-Ming; Gao, Chao-Ying","Metal‒organic frameworks constructed from a tetrahedral silicon-based linker for selective adsorption of methylene blue","CrystEngComm","2017","19","11","1564","","10.1039/C6CE02639G","","","0.71073","MoKα","","0.0922","0.0476","","","0.1087","0.1311","","","","","","1.014","","","","has coordinates","195040","2020-10-21","18:00:00",""
"7227688","18.64","0.003","22.795","0.004","13.281","0.002","90","","130.484","0.003","90","","4292.1","1.2","296","2","296.15","","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C14 H10 Cd O5 Si0.5 -","- C14 H10 Cd O5 Si0.5 -","- C112 H80 Cd8 O40 Si4 -","8","1","","Hui, Yuan-Feng; Kang, Chun-Li; Tian, Tao; Dang, Song; Ai, Jing; Liu, Chao; Tian, Hong-Rui; Sun, Zhong-Ming; Gao, Chao-Ying","Metal‒organic frameworks constructed from a tetrahedral silicon-based linker for selective adsorption of methylene blue","CrystEngComm","2017","19","11","1564","","10.1039/C6CE02639G","","","0.71073","MoKα","","0.03","0.0239","","","0.0514","0.0529","","","","","","0.948","","","","has coordinates","195040","2020-10-21","18:00:00",""
"7227689","13.9339","0.0005","21.224","0.0007","16.231","0.0006","90","","100.771","0.001","90","","4715.5","0.3","296","2","296.15","","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C40 H29 Co3 N8 O16 Si -","- C40 H29 Co3 N8 O13 Si -","- C160 H116 Co12 N32 O52 Si4 -","4","1","","Hui, Yuan-Feng; Kang, Chun-Li; Tian, Tao; Dang, Song; Ai, Jing; Liu, Chao; Tian, Hong-Rui; Sun, Zhong-Ming; Gao, Chao-Ying","Metal‒organic frameworks constructed from a tetrahedral silicon-based linker for selective adsorption of methylene blue","CrystEngComm","2017","19","11","1564","","10.1039/C6CE02639G","","","0.71073","MoKα","","0.0616","0.0428","","","0.1047","0.1143","","","","","","1.08","","","","has coordinates","195040","2020-10-21","18:00:00",""
"7227690","9.108","0.0018","25.909","0.005","14.588","0.003","90","","96.69","0.03","90","","3419","1.2","100","2","100","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C32 H39 Cl Cu2 N5 O8 -","- C32 H39 Cl Cu2 N5 O8 -","- C128 H156 Cl4 Cu8 N20 O32 -","4","1","","Lee, Hyun-Jung; Kwon, Hyunchul; Sim, Jaeung; Song, Dalnim; Kim, Yonghwi; Kim, Jaheon; Kim, Kimoon; Lee, Eunsung","Synthetic control of coincidental formation of an N-heterocyclic carbene‒copper(i) complex and imidazolium cations within metal‒organic frameworks","CrystEngComm","2017","19","11","1528","","10.1039/C7CE00078B","","","0.62998","synchrotron","","0.0809","0.0645","","","0.1752","0.1878","","","","","","0.969","","","","has coordinates","195041","2020-10-21","18:00:00",""
"7227691","9.2442","0.0004","26.9115","0.0013","13.167","0.0007","90","","90.408","0.002","90","","3275.5","0.3","100","2","100","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C30.5 H32.5 Cl Cu N4 O10 -","- C30.5 H32.5 Cl Cu N4 O10 -","- C122 H130 Cl4 Cu4 N16 O40 -","4","1","","Lee, Hyun-Jung; Kwon, Hyunchul; Sim, Jaeung; Song, Dalnim; Kim, Yonghwi; Kim, Jaheon; Kim, Kimoon; Lee, Eunsung","Synthetic control of coincidental formation of an N-heterocyclic carbene‒copper(i) complex and imidazolium cations within metal‒organic frameworks","CrystEngComm","2017","19","11","1528","","10.1039/C7CE00078B","","","0.71073","MoKα","","0.1057","0.0628","","","0.137","0.1583","","","","","","1.026","","","","has coordinates,has disorder","195041","2020-10-21","18:00:00",""
"7227692","6.6863","0.0011","33.34","0.004","11.325","0.0019","90","","107.156","0.005","90","","2412.3","0.6","100","2","100","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C20 H20 Cl Cu N3 O10 -","- C20 H20 Cl Cu N3 O10 -","- C80 H80 Cl4 Cu4 N12 O40 -","4","1","","Lee, Hyun-Jung; Kwon, Hyunchul; Sim, Jaeung; Song, Dalnim; Kim, Yonghwi; Kim, Jaheon; Kim, Kimoon; Lee, Eunsung","Synthetic control of coincidental formation of an N-heterocyclic carbene‒copper(i) complex and imidazolium cations within metal‒organic frameworks","CrystEngComm","2017","19","11","1528","","10.1039/C7CE00078B","","","0.71073","MoKα","","0.1387","0.0632","","","0.1388","0.1696","","","","","","1.009","","","","has coordinates","195041","2020-10-21","18:00:00",""
"7227693","8.7638","0.0007","9.0088","0.0007","13.4894","0.0011","90.103","0.002","106.079","0.002","107.018","0.002","974.55","0.14","173","","173","","","","","","","","","6","P -1","-P 1","2","","","","- C46 H28 F2 Fe2 N8 S2 -","- C46 H28 F2 Fe2 N8 S2 -","- C46 H28 F2 Fe2 N8 S2 -","1","0.5","","Mochida, Tomoyuki; Funasako, Yusuke; Akasaka, Takahiro; Uruichi, Mikio; Mori, Hatsumi","Valence engineering of ionic molecular crystals: monovalent‒divalent phase diagram for biferrocene‒tetracyanoquinodimethane salts","CrystEngComm","2017","19","11","1449","","10.1039/C7CE00134G","","","0.71073","MoKα","","0.0585","0.0438","","","0.1068","0.1143","","","","","","1.048","","","","has coordinates,has disorder","195038","2020-10-21","18:00:00",""
"7227694","8.654","0.003","9.112","0.003","13.738","0.004","89.225","0.005","75.034","0.005","73.2","0.005","999.7","0.6","173","","173","","","","","","","","","5","P -1","-P 1","2","","","","- C48 H32 Cl2 Fe2 N8 -","- C48 H32 Cl2 Fe2 N8 -","- C48 H32 Cl2 Fe2 N8 -","1","0.5","","Mochida, Tomoyuki; Funasako, Yusuke; Akasaka, Takahiro; Uruichi, Mikio; Mori, Hatsumi","Valence engineering of ionic molecular crystals: monovalent‒divalent phase diagram for biferrocene‒tetracyanoquinodimethane salts","CrystEngComm","2017","19","11","1449","","10.1039/C7CE00134G","","","0.71073","MoKα","","0.1437","0.0783","","","0.1838","0.2199","","","","","","0.969","","","","has coordinates,has disorder","195038","2020-10-21","18:00:00",""
"7227695","8.7754","0.001","9.0556","0.0011","13.2444","0.0016","91.068","0.002","105.733","0.002","108.766","0.002","952.7","0.2","173","","173","","","","","","","","","6","P -1","-P 1","2","","","","- C46 H26 F4 Fe2 N8 S2 -","- C46 H26 F4 Fe2 N8 S2 -","- C46 H26 F4 Fe2 N8 S2 -","1","0.5","","Mochida, Tomoyuki; Funasako, Yusuke; Akasaka, Takahiro; Uruichi, Mikio; Mori, Hatsumi","Valence engineering of ionic molecular crystals: monovalent‒divalent phase diagram for biferrocene‒tetracyanoquinodimethane salts","CrystEngComm","2017","19","11","1449","","10.1039/C7CE00134G","","","0.71073","MoKα","","0.06","0.0465","","","0.1149","0.1227","","","","","","1.036","","","","has coordinates","195038","2020-10-21","18:00:00",""
"7227696","8.7951","0.0013","9.1673","0.0013","13.4002","0.0018","92.358","0.012","104.633","0.012","109.317","0.011","977.3","0.3","296","","296","","","","","","","","","5","P -1","-P 1","2","","","","- C48 H30 F4 Fe2 N8 -","- C48 H30 F4 Fe2 N8 -","- C48 H30 F4 Fe2 N8 -","1","0.5","","Mochida, Tomoyuki; Funasako, Yusuke; Akasaka, Takahiro; Uruichi, Mikio; Mori, Hatsumi","Valence engineering of ionic molecular crystals: monovalent‒divalent phase diagram for biferrocene‒tetracyanoquinodimethane salts","CrystEngComm","2017","19","11","1449","","10.1039/C7CE00134G","","","0.71069","MoKα","","0.0433","0.0314","","","0.0768","0.0811","","","","","","1.02","","","","has coordinates,has disorder","195038","2020-10-21","18:00:00",""
"7227697","8.8205","0.0008","9.0902","0.0008","13.6352","0.0013","90.168","0.002","104.444","0.002","107.949","0.002","1003.4","0.16","173","","173","","","","","","","","","6","P -1","-P 1","2","","","","- C46 H28 Cl2 Fe2 N8 S2 -","- C46 H28 Cl2 Fe2 N8 S2 -","- C46 H28 Cl2 Fe2 N8 S2 -","1","0.5","","Mochida, Tomoyuki; Funasako, Yusuke; Akasaka, Takahiro; Uruichi, Mikio; Mori, Hatsumi","Valence engineering of ionic molecular crystals: monovalent‒divalent phase diagram for biferrocene‒tetracyanoquinodimethane salts","CrystEngComm","2017","19","11","1449","","10.1039/C7CE00134G","","","0.71073","MoKα","","0.0805","0.0664","","","0.1705","0.1809","","","","","","1.046","","","","has coordinates,has disorder","195038","2020-10-21","18:00:00",""
"7227698","8.8175","0.0012","9.1617","0.0012","13.8108","0.0018","90.54","0.002","103.988","0.002","109.55","0.001","1015.2","0.2","150","","150","","","","","","","","","6","P -1","-P 1","2","","","","- C46 H26 Cl4 Fe2 N8 S2 -","- C46 H26 Cl4 Fe2 N8 S2 -","- C46 H26 Cl4 Fe2 N8 S2 -","1","0.5","","Mochida, Tomoyuki; Funasako, Yusuke; Akasaka, Takahiro; Uruichi, Mikio; Mori, Hatsumi","Valence engineering of ionic molecular crystals: monovalent‒divalent phase diagram for biferrocene‒tetracyanoquinodimethane salts","CrystEngComm","2017","19","11","1449","","10.1039/C7CE00134G","","","0.71073","MoKα","","0.05","0.0373","","","0.0839","0.0911","","","","","","1.027","","","","has coordinates","195038","2020-10-21","18:00:00",""
"7227699","8.77","0.0012","9.211","0.0012","13.5822","0.0019","89.993","0.003","75.599","0.003","71.823","0.003","1006.1","0.2","173","","173","","","","","","","","","6","P -1","-P 1","2","","","","- C46 H28 Cl2 Fe2 N8 Se2 -","- C46 H28 Cl2 Fe2 N8 Se2 -","- C46 H28 Cl2 Fe2 N8 Se2 -","1","0.5","","Mochida, Tomoyuki; Funasako, Yusuke; Akasaka, Takahiro; Uruichi, Mikio; Mori, Hatsumi","Valence engineering of ionic molecular crystals: monovalent‒divalent phase diagram for biferrocene‒tetracyanoquinodimethane salts","CrystEngComm","2017","19","11","1449","","10.1039/C7CE00134G","","","0.71073","MoKα","","0.1001","0.0599","","","0.1526","0.1787","","","","","","1.059","","","","has coordinates,has disorder","195038","2020-10-21","18:00:00",""
"7227700","8.7623","0.0009","9.125","0.001","13.4315","0.0014","90.012","0.002","106.064","0.002","107.409","0.002","980.68","0.18","173","","173","","","","","","","","","6","P -1","-P 1","2","","","","- C46 H28 F2 Fe2 N8 Se2 -","- C46 H28 F2 Fe2 N8 Se2 -","- C46 H28 F2 Fe2 N8 Se2 -","1","0.5","","Mochida, Tomoyuki; Funasako, Yusuke; Akasaka, Takahiro; Uruichi, Mikio; Mori, Hatsumi","Valence engineering of ionic molecular crystals: monovalent‒divalent phase diagram for biferrocene‒tetracyanoquinodimethane salts","CrystEngComm","2017","19","11","1449","","10.1039/C7CE00134G","","","0.71073","MoKα","","0.0603","0.041","","","0.1039","0.1132","","","","","","1.052","","","","has coordinates,has disorder","195038","2020-10-21","18:00:00",""
"7227701","4.3353","0.0009","10.658","0.002","12.488","0.003","106.28","0.03","93.9","0.03","95.4","0.03","548.7","0.2","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C10 H9 Hg N3 O2 -","- C10 H9 Hg N3 O2 -","- C20 H18 Hg2 N6 O4 -","2","1","","Lin, Nai-Chieh; Syu, Herbert J. H.; Naziruddin, Abbas Raja; Liu, Fu-Chen; Lin, Ivan J. B.","Direct C-metallation of N-substituted triazoles promoted by mercury acetate. An alternative route to N-heterocyclic carbene complexes","RSC Adv.","2017","7","19","11652","","10.1039/C7RA00163K","","","0.71073","MoKα","","0.0369","0.0273","","","0.0607","0.0645","","","","","","0.983","","","","has coordinates","192188","2020-10-21","18:00:00",""
"7227702","13.171","0.0018","4.5399","0.0005","14.99","0.002","90","","93.807","0.011","90","","894.3","0.2","296","2","296","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C14 H10 Cl2 Hg2 N8 -","- C14 H10 Cl2 Hg2 N8 -","- C28 H20 Cl4 Hg4 N16 -","2","0.5","","Lin, Nai-Chieh; Syu, Herbert J. H.; Naziruddin, Abbas Raja; Liu, Fu-Chen; Lin, Ivan J. B.","Direct C-metallation of N-substituted triazoles promoted by mercury acetate. An alternative route to N-heterocyclic carbene complexes","RSC Adv.","2017","7","19","11652","","10.1039/C7RA00163K","","","0.71073","MoKα","","0.0633","0.0571","","","0.1717","0.1738","","","","","","1.369","","","","has coordinates","192188","2020-10-21","18:00:00",""
"7227703","7.3859","0.0005","15.9445","0.0012","8.7003","0.0006","90","","90","","90","","1024.59","0.13","293","2","293","2","","","","","","","","5","P n m a","-P 2ac 2n","62","","","","- B16 Gd7.5 O48 Sr12 Yb0.5 -","- B16 Gd7.496 O48 Sr12 Yb1.008 -","- B16 Gd7.496 O48 Sr12 Yb1.008 -","1","0.125","","Sun, Shijia; Wei, Qi; Lou, Fei; Huang, Yisheng; Yuan, Feifei; Zhang, Lizhen; Lin, Zhoubin","A promising ultrafast pulse laser crystal with a disordered structure: Yb3+:Sr3Gd2(BO3)4","CrystEngComm","2017","19","12","1620","","10.1039/C7CE00025A","","","0.71073","MoKα","","0.0476","0.0434","","","0.112","0.116","","","","","","1.096","","","","has coordinates,has disorder","195045","2020-10-21","18:00:00",""
"7227704","8.5213","0.0003","12.9489","0.0004","13.3149","0.0005","68.372","0.003","82.029","0.004","89.978","0.004","1350.5","0.09","","","","","","","","","","","","5","P 1","P 1","1","","","","- C52 H64 Cu4 N4 O12 -","- C52 H64 Cu4 N4 O12 -","- C52 H64 Cu4 N4 O12 -","1","1","","Kuang, Rui; Zheng, Luyi; Chi, Yanhui; Shi, Jingmin; Chen, Xuexue; Zhang, Chengcheng","Highly efficient electrochemical recognition and quantification of amine enantiomers based on a guest-free homochiral MOF","RSC Adv.","2017","7","19","11701","","10.1039/C7RA00205J","","","","","","0.054","","","","","","","","","","","","","","","has coordinates","192222","2020-10-21","18:00:00",""
"7227705","15.4725","0.0012","8.3765","0.0007","22.2908","0.0019","90","","106.388","0.002","90","","2771.6","0.4","298","2","298","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C25 H38 K N O8 -","- C25 H38 K N O8 -","- C100 H152 K4 N4 O32 -","4","1","","Wu, Bing-Bing; Wang, Zhong-Xia","Crown ether complexes of potassium quinolin-8-olates: synthesis, characterization and catalysis toward the ring-opening polymerization of rac-lactide","RSC Adv.","2017","7","19","11657","","10.1039/C7RA01186E","","","0.71073","MoKα","","0.1088","0.049","","","0.0873","0.0961","","","","","","1.078","","","","has coordinates","192223","2020-10-21","18:00:00",""
"7227706","8.5895","0.001","12.3063","0.001","9.7721","0.0009","90","","111.94","0.013","90","","958.15","0.18","295.05","0.1","295.05","0.1","","","","","","","","5","P 1 21 1","P 2yb","4","","YG-98","","- C21 H17 Br N2 O3 -","- C21 H17 Br N2 O3 -","- C42 H34 Br2 N4 O6 -","2","1","","Guo, Yong; Wang, Xiaoguang; Qu, Lailiang; Xu, Shengnan; Zhao, Yi; Xie, Ruoqian; Huang, Mengxing; Zhang, Yanbing","Design, synthesis, antibacterial and insecticidal activities of novel N-phenylpyrazole fraxinellone hybrid compounds","RSC Adv.","2017","7","19","11796","","10.1039/C6RA28064A","","x-ray","0.71073","MoKα","","0.1506","0.0688","","","0.1383","0.1798","","","","","","1.01","","","","has coordinates","192224","2020-10-21","18:00:00",""
"7227707","7.9128","0.0005","13.2459","0.0009","8.7406","0.0006","90","","99.323","0.007","90","","904.02","0.11","289.97","0.1","289.97","0.1","","","","","","","","5","P 1 21 1","P 2yb","4","","YG-90","","- C21 H16 F2 N2 O3 -","- C21 H16 F2 N2 O3 -","- C42 H32 F4 N4 O6 -","2","1","","Guo, Yong; Wang, Xiaoguang; Qu, Lailiang; Xu, Shengnan; Zhao, Yi; Xie, Ruoqian; Huang, Mengxing; Zhang, Yanbing","Design, synthesis, antibacterial and insecticidal activities of novel N-phenylpyrazole fraxinellone hybrid compounds","RSC Adv.","2017","7","19","11796","","10.1039/C6RA28064A","","x-ray","0.71073","MoKα","","0.086","0.0548","","","0.1443","0.1765","","","","","","0.959","","","","has coordinates","192224","2020-10-21","18:00:00",""
"7227708","10.4147","0.0005","10.8221","0.0008","11.4326","0.0007","63.221","0.007","63.896","0.005","74.519","0.005","1029.22","0.13","150","0.1","150","0.1","","","","","","","","4","P -1","-P 1","2","","","","- C27 H23 N O2 -","- C27 H23 N O2 -","- C54 H46 N2 O4 -","2","1","","Xiong, Wenfang; Qi, Chaorong; Guo, Tianzuo; Zhang, Min; Chen, Kai; Jiang, Huanfeng","A copper-catalyzed oxidative coupling reaction of arylboronic acids, amines and carbon dioxide using molecular oxygen as the oxidant","Green Chem.","2017","19","7","1642","","10.1039/C6GC03465A","","x-ray","1.54184","CuKα","","0.0374","0.0353","","","0.091","0.0927","","","","","","1.06","","","","has coordinates","195143","2020-10-21","18:00:00",""
"7227709","8.0644","0.0005","25.5256","0.0013","7.0058","0.0004","90","","108.253","0.002","90","","1369.57","0.14","100","2","100","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C18 H10 N4 -","- C18 H10 N4 -","- C72 H40 N16 -","4","1","","Reig, Marta; Bagdziunas, Gintautas; Volyniuk, Dmytro; Grazulevicius, Juozas V.; Velasco, Dolores","Tuning the ambipolar charge transport properties of tricyanovinyl-substituted carbazole-based materials.","Physical chemistry chemical physics : PCCP","2017","19","9","6721","6730","10.1039/c6cp08078b","","","0.71073","MoKα","","0.0737","0.0537","","","0.1287","0.1385","","","","","","1.081","","","","has coordinates","193918","2020-10-21","18:00:00",""
"7227710","6.8946","0.0009","16.799","0.002","13.329","0.002","90","","93.493","0.006","90","","1540.9","0.4","100","2","100","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C19 H12 N4 O -","- C19 H12 N4 O -","- C76 H48 N16 O4 -","4","1","","Reig, Marta; Bagdziunas, Gintautas; Volyniuk, Dmytro; Grazulevicius, Juozas V.; Velasco, Dolores","Tuning the ambipolar charge transport properties of tricyanovinyl-substituted carbazole-based materials.","Physical chemistry chemical physics : PCCP","2017","19","9","6721","6730","10.1039/c6cp08078b","","","0.71073","MoKα","","0.1112","0.0538","","","0.1098","0.1288","","","","","","1.033","","","","has coordinates","193918","2020-10-21","18:00:00",""
"7227711","26.744","0.004","26.744","0.004","4.997","0.0001","90","","90","","120","","3095.2","0.7","100","2","100","2","","","","","","","","5","P 63","P 6c","173","","","","- C24 H20.67 Br N O4.33 -","- C24 H20 Br N O4.3333 -","- C144 H120 Br6 N6 O25.9998 -","6","1","","Pizzi, A.; Lascialfari, L.; Demitri, N.; Bertolani, A.; Maiolo, D.; Carretti, E.; Metrangolo, P.","Halogen bonding modulates hydrogel formation from Fmoc amino acids","CrystEngComm","2017","19","14","1870","","10.1039/C7CE00031F","","","0.7","Synchrotron","","0.1208","0.0691","","","0.1693","0.2006","","","","","","1.065","","","","has coordinates,has disorder","195037","2020-10-21","18:00:00",""
"7227712","4.92","0.001","13.034","0.003","36.789","0.007","90","","90","","90","","2359.2","0.9","100","2","100","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C26 H26 F N O5 S -","- C26 H26 F N O5 S -","- C104 H104 F4 N4 O20 S4 -","4","1","","Pizzi, A.; Lascialfari, L.; Demitri, N.; Bertolani, A.; Maiolo, D.; Carretti, E.; Metrangolo, P.","Halogen bonding modulates hydrogel formation from Fmoc amino acids","CrystEngComm","2017","19","14","1870","","10.1039/C7CE00031F","","","0.8","Synchrotron","","0.1448","0.115","","","0.2979","0.3191","","","","","","1.081","","","","has coordinates,has disorder","195037","2020-10-21","18:00:00",""
"7227713","13.168","0.003","4.839","0.001","17.4","0.004","90","","111.41","0.03","90","","1032.2","0.4","100","2","100","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C24 H20 Cl N O4 -","- C24 H20 Cl N O4 -","- C48 H40 Cl2 N2 O8 -","2","1","","Pizzi, A.; Lascialfari, L.; Demitri, N.; Bertolani, A.; Maiolo, D.; Carretti, E.; Metrangolo, P.","Halogen bonding modulates hydrogel formation from Fmoc amino acids","CrystEngComm","2017","19","14","1870","","10.1039/C7CE00031F","","","0.7","Synchrotron","","0.1171","0.0665","","","0.1645","0.1977","","","","","","1.016","","","","has coordinates","195037","2020-10-21","18:00:00",""
"7227714","26.878","0.004","26.878","0.004","4.999","0.001","90","","90","","120","","3127.6","0.9","100","2","100","2","","","","","","","","5","P 63","P 6c","173","","","","- C24 H20.67 I N O4.33 -","- C24 H20 I N O4.3333 -","- C144 H120 I6 N6 O25.9998 -","6","1","","Pizzi, A.; Lascialfari, L.; Demitri, N.; Bertolani, A.; Maiolo, D.; Carretti, E.; Metrangolo, P.","Halogen bonding modulates hydrogel formation from Fmoc amino acids","CrystEngComm","2017","19","14","1870","","10.1039/C7CE00031F","","","0.7","Synchrotron","","0.1424","0.0733","","","0.1554","0.1896","","","","","","1.014","","","","has coordinates,has disorder","195037","2020-10-21","18:00:00",""
"7227715","20.187","0.003","10.5943","0.0015","24.296","0.004","90","","90","","90","","5196.1","1.4","293","2","293","2","","","","","","","","5","P n a 21","P 2c -2n","33","","","","- C56 H52 Mn3 N5 O20 -","- C56 H52 Mn3 N5 O20 -","- C224 H208 Mn12 N20 O80 -","4","1","","Ye, Run-Ping; Zhang, Xin; Qin, Ye-Yan; Yao, Yuan-Gen","Combined influence of hydrogen bonds and π‒π interactions on the assembly of five manganese coordination polymers with magnetic properties","CrystEngComm","2017","19","12","1658","","10.1039/C7CE00004A","","","0.71073","MoKα","","0.043","0.0319","","","0.0663","0.0705","","","","","","1.032","","","","has coordinates","195044","2020-10-21","18:00:00",""
"7227716","8.8593","0.0012","9.9579","0.0015","14.811","0.003","103.45","0.007","97.543","0.005","90.896","0.007","1258.3","0.4","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C26 H21 Mn N3 O8 -","- C26 H17 Mn N3 O8 -","- C52 H34 Mn2 N6 O16 -","2","1","","Ye, Run-Ping; Zhang, Xin; Qin, Ye-Yan; Yao, Yuan-Gen","Combined influence of hydrogen bonds and π‒π interactions on the assembly of five manganese coordination polymers with magnetic properties","CrystEngComm","2017","19","12","1658","","10.1039/C7CE00004A","","","0.71073","MoKα","","0.0755","0.0665","","","0.1913","0.2003","","","","","","1.058","","","","has coordinates,has disorder","195044","2020-10-21","18:00:00",""
"7227717","10.7524","0.0005","14.4645","0.0005","15.5968","0.0005","90","","100.955","0.003","90","","2381.54","0.16","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C28 H19 Mn N3 O6 -","- C28 H19 Mn N3 O6 -","- C112 H76 Mn4 N12 O24 -","4","1","","Ye, Run-Ping; Zhang, Xin; Qin, Ye-Yan; Yao, Yuan-Gen","Combined influence of hydrogen bonds and π‒π interactions on the assembly of five manganese coordination polymers with magnetic properties","CrystEngComm","2017","19","12","1658","","10.1039/C7CE00004A","","","0.71073","MoKα","","0.0692","0.0494","","","0.1014","0.1201","","","","","","1.099","","","","has coordinates","195044","2020-10-21","18:00:00",""
"7227718","10.088","0.003","10.16","0.003","13.027","0.004","97.791","0.002","106.85","0.003","114.222","0.003","1114.7","0.6","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C22 H21 Mn N2 O8 -","- C22 H21 Mn N2 O8 -","- C44 H42 Mn2 N4 O16 -","2","1","","Ye, Run-Ping; Zhang, Xin; Qin, Ye-Yan; Yao, Yuan-Gen","Combined influence of hydrogen bonds and π‒π interactions on the assembly of five manganese coordination polymers with magnetic properties","CrystEngComm","2017","19","12","1658","","10.1039/C7CE00004A","","","0.71073","MoKα","","0.0363","0.0341","","","0.099","0.1004","","","","","","1.073","","","","has coordinates","195044","2020-10-21","18:00:00",""
"7227719","9.7818","0.0007","12.9471","0.0006","13.4939","0.0009","90","","105.008","0.004","90","","1650.65","0.18","293","2","293","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C21 H13 Mn N2 O5 -","- C21 H13 Mn N2 O5 -","- C84 H52 Mn4 N8 O20 -","4","1","","Ye, Run-Ping; Zhang, Xin; Qin, Ye-Yan; Yao, Yuan-Gen","Combined influence of hydrogen bonds and π‒π interactions on the assembly of five manganese coordination polymers with magnetic properties","CrystEngComm","2017","19","12","1658","","10.1039/C7CE00004A","","","0.71073","MoKα","","0.0451","0.0369","","","0.0904","0.093","","","","","","1.059","","","","has coordinates","195044","2020-10-21","18:00:00",""
"7227720","7.7079","0.0001","7.7079","0.0001","9.4483","0.0003","90","","90","","120","","486.135","0.018","298","","298","","","","","","","","","6","R 3 m :H","R 3 -2""","160","","","","- C3 H3 Cl Li N3 O3 -","- C3 H3 Cl Li N3 O3 -","- C9 H9 Cl3 Li3 N9 O9 -","3","0.166667","","Shemchuk, Oleksii; Braga, Dario; Maini, Lucia; Grepioni, Fabrizia","Anhydrous ionic co-crystals of cyanuric acid with LiCl and NaCl","CrystEngComm","2017","19","10","1366","","10.1039/C7CE00037E","powder diffraction","x-ray","0.775311","Synchrotron","","","","","","","","","0.0725","15.8185","","","","","","","has coordinates","195017","2020-10-21","18:00:00",""
"7227721","7.6807","0.0001","7.6807","0.0001","6.3662","0.0001","90","","90","","120","","325.246","0.008","298","","298","","","","","","","","","6","P 63/m m c","-P 6c 2c","194","","","","- C3 H3 Cl N3 Na O3 -","- C3 H3 Cl N3 Na O3 -","- C6 H6 Cl2 N6 Na2 O6 -","2","0.0833333","","Shemchuk, Oleksii; Braga, Dario; Maini, Lucia; Grepioni, Fabrizia","Anhydrous ionic co-crystals of cyanuric acid with LiCl and NaCl","CrystEngComm","2017","19","10","1366","","10.1039/C7CE00037E","powder diffraction","x-ray","0.775311","Synchrotron","","","","","","","","","0.043","9.36586","","","","","","","has coordinates","195017","2020-10-21","18:00:00",""
"7227722","30.827","0.008","13.426","0.003","8.792","0.002","90","","94.156","0.004","90","","3629.3","1.5","100","","100","","","","","","","","","3","C 1 2/c 1","-C 2yc","15","","","","- C45 H33 N9 -","- C45 H33 N9 -","- C180 H132 N36 -","4","0.5","","Kautny, Paul; Zhao, Chenyang; Kader, Thomas; Stöger, Berthold; Horkel, Ernst; Chen, Jiangshan; Ma, Dongge; Fröhlich, Johannes; Lumpi, Daniel","Functional organic click-materials: application in phosphorescent organic light emitting diodes","RSC Adv.","2017","7","20","12150","","10.1039/C6RA28212A","","x-ray","0.71069","MoKα","","0.0857","0.0527","","","0.0522","0.0556","","","","1.69","1.69","1.55","","","","has coordinates","192408","2020-10-21","18:00:00",""
"7227723","8.9444","0.001","13.9122","0.0015","16.3529","0.0018","77.14","0.004","78.37","0.004","74.165","0.004","1886.9","0.4","100","","100","","","","","","","","","3","P -1","-P 1","2","","","","- C46 H34 N8 -","- C46 H34 N8 -","- C92 H68 N16 -","2","1","","Kautny, Paul; Zhao, Chenyang; Kader, Thomas; Stöger, Berthold; Horkel, Ernst; Chen, Jiangshan; Ma, Dongge; Fröhlich, Johannes; Lumpi, Daniel","Functional organic click-materials: application in phosphorescent organic light emitting diodes","RSC Adv.","2017","7","20","12150","","10.1039/C6RA28212A","","x-ray","0.71073","MoKα","","0.075","0.0472","","","0.0561","0.0581","","","","2.58","2.58","2.17","","","","has coordinates","192408","2020-10-21","18:00:00",""
"7227724","31.687","0.002","10.9573","0.0005","27.1488","0.0015","90","","115.982","0.006","90","","8473.5","0.9","153","2","153","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C82 H60 Co5 N12 O38 -","- C82 H58 Co5 N12 O38 -","- C328 H232 Co20 N48 O152 -","4","0.5","","Zhang, Jian-Yong; Shi, Jun-Xia; Chen, Liang-Yan; Jia, Qin-Xiang; Deng, Wei; Gao, En-Qing","N-donor auxiliary ligand-directed assembly of CoII compounds with a 2,2′-dinitro-biphenyl-4,4′-dicarboxylate ligand: structures and magnetic properties","CrystEngComm","2017","19","13","1738","","10.1039/C7CE00046D","","","0.71073","MoKα","","0.1172","0.0644","","","0.1332","0.165","","","","","","0.987","","","","has coordinates","195027","2020-10-21","18:00:00",""
"7227725","13.6157","0.0013","19.5109","0.0019","8.7982","0.0009","90","","96.577","0.001","90","","2321.9","0.4","293","2","293","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C24 H14 Co N4 O8 -","- C24 H14 Co N4 O8 -","- C96 H56 Co4 N16 O32 -","4","0.5","","Zhang, Jian-Yong; Shi, Jun-Xia; Chen, Liang-Yan; Jia, Qin-Xiang; Deng, Wei; Gao, En-Qing","N-donor auxiliary ligand-directed assembly of CoII compounds with a 2,2′-dinitro-biphenyl-4,4′-dicarboxylate ligand: structures and magnetic properties","CrystEngComm","2017","19","13","1738","","10.1039/C7CE00046D","","","0.71073","MoKα","","0.0333","0.03","","","0.0797","0.0821","","","","","","1.035","","","","has coordinates","195027","2020-10-21","18:00:00",""
"7227726","17.4893","0.0016","12.6182","0.0011","24.895","0.0018","90","","90","","90","","5493.9","0.8","153","2","153","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C28 H21 Co N6 O8.5 -","- C28 H20 Co N6 O8.5 -","- C224 H160 Co8 N48 O68 -","8","1","","Zhang, Jian-Yong; Shi, Jun-Xia; Chen, Liang-Yan; Jia, Qin-Xiang; Deng, Wei; Gao, En-Qing","N-donor auxiliary ligand-directed assembly of CoII compounds with a 2,2′-dinitro-biphenyl-4,4′-dicarboxylate ligand: structures and magnetic properties","CrystEngComm","2017","19","13","1738","","10.1039/C7CE00046D","","","0.71073","MoKα","","0.1088","0.0608","","","0.1048","0.125","","","","","","1.05","","","","has coordinates","195027","2020-10-21","18:00:00",""
"7227727","14.129","0.003","11.967","0.002","17.318","0.004","90","","107.944","0.002","90","","2785.7","1","296","2","296","2","","","","","","","","5","P 1 2/n 1","-P 2yac","13","","","","- C26 H18 Co N6 O9 -","- C26 H16 Co N6 O9 -","- C104 H64 Co4 N24 O36 -","4","1","","Zhang, Jian-Yong; Shi, Jun-Xia; Chen, Liang-Yan; Jia, Qin-Xiang; Deng, Wei; Gao, En-Qing","N-donor auxiliary ligand-directed assembly of CoII compounds with a 2,2′-dinitro-biphenyl-4,4′-dicarboxylate ligand: structures and magnetic properties","CrystEngComm","2017","19","13","1738","","10.1039/C7CE00046D","","","0.71073","MoKα","","0.0925","0.067","","","0.2091","0.2321","","","","","","1.052","","","","has coordinates","195027","2020-10-21","18:00:00",""
"7227728","13.3233","0.0004","23.3778","0.0008","8.8535","0.0003","90","","93.832","0.003","90","","2751.43","0.16","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C29 H18 Co N5 O8 -","- C29 H18 Co N5 O8 -","- C116 H72 Co4 N20 O32 -","4","1","","Zhang, Jian-Yong; Shi, Jun-Xia; Chen, Liang-Yan; Jia, Qin-Xiang; Deng, Wei; Gao, En-Qing","N-donor auxiliary ligand-directed assembly of CoII compounds with a 2,2′-dinitro-biphenyl-4,4′-dicarboxylate ligand: structures and magnetic properties","CrystEngComm","2017","19","13","1738","","10.1039/C7CE00046D","","","0.71073","MoKα","","0.0935","0.059","","","0.1272","0.147","","","","","","1.024","","","","has coordinates,has disorder","195027","2020-10-21","18:00:00",""
"7227729","9.0054","0.0004","8.7908","0.0004","19.4618","0.0009","90","","102.377","0.003","90","","1504.88","0.12","293","2","293.15","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","VA6","N-(2-hydroxy-5-chlorophenyl)-2-propylpentanamide","","- C14 H20 Cl N O2 -","- C14 H20 Cl N O2 -","- C56 H80 Cl4 N4 O8 -","4","1","","Alpuche-García, Andrea; Dávila-González, Xochitl; Arregui, Leticia; Beltrán, Hiram I.","Novel valproic aminophenol amides with enhanced glial cell viability effect","RSC Adv.","2017","7","20","12391","","10.1039/C7RA00048K","","","0.71073","MoKα","","0.0763","0.0551","","","0.147","0.1633","","","","","","1.029","","","","has coordinates","192455","2020-10-21","18:00:00",""
"7227730","8.9236","0.0005","8.7861","0.0004","19.7125","0.001","90","","102.535","0.003","90","","1508.69","0.13","293","2","293","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","VA2","N-(4-methyl-2-hydroxyphenyl)-2-propylpentanamide","","- C15 H23 N O2 -","- C15 H23 N O2 -","- C60 H92 N4 O8 -","4","1","","Alpuche-García, Andrea; Dávila-González, Xochitl; Arregui, Leticia; Beltrán, Hiram I.","Novel valproic aminophenol amides with enhanced glial cell viability effect","RSC Adv.","2017","7","20","12391","","10.1039/C7RA00048K","","","0.71073","MoKα","","0.149","0.0681","","","0.1371","0.169","","","","","","1.032","","","","has coordinates","192455","2020-10-21","18:00:00",""
"7227731","8.5924","0.0017","12.938","0.003","14.25","0.003","90","","90","","90","","1584.2","0.6","293","2","293.15","","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","VA2","N-(5-methyl-2-hydroxyphenyl)-2-propylpentanamide","","- C15 H23 N O2 -","- C15 H23 N O2 -","- C60 H92 N4 O8 -","4","1","","Alpuche-García, Andrea; Dávila-González, Xochitl; Arregui, Leticia; Beltrán, Hiram I.","Novel valproic aminophenol amides with enhanced glial cell viability effect","RSC Adv.","2017","7","20","12391","","10.1039/C7RA00048K","","","0.71073","MoKα","","0.0939","0.0558","","","0.1151","0.1306","","","","","","1.0912","","","","has coordinates","192455","2020-10-21","18:00:00",""
"7227732","13.51","0.005","14.382","0.005","18.388","0.007","90","","92.036","0.006","90","","3571","2","296","2","296.15","","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C54 H74 Cu5 Ho2 N10 O28 -","- C54 H74 Cu5 Ho2 N10 O28 -","- C108 H148 Cu10 Ho4 N20 O56 -","2","0.5","","Jiang, Lin; Liu, Bin; Zhao, Hao-Wen; Tian, Jin-Lei; Liu, Xin; Yan, Shi-Ping","Compartmental ligand approach for constructing 3d‒4f heterometallic [CuII5LnIII2] clusters: synthesis and magnetostructural properties","CrystEngComm","2017","19","13","1816","","10.1039/C6CE02519F","","","0.71073","MoKα","","0.0585","0.0379","","","0.0856","0.0964","","","","","","1.056","","","","has coordinates","195021","2020-10-21","18:00:00",""
"7227733","9.5585","0.0019","14.859","0.003","14.869","0.003","63.43","0.03","71.39","0.03","84.76","0.03","1786.7","0.9","113.15","","113.15","","","","","","","","","8","P -1","-P 1","2","","","","- C50 H78 Cu5 Eu2 F12 N4 O26 P2 -","- C50 H78 Cu5 Eu2 F12 N4 O26 P2 -","- C50 H78 Cu5 Eu2 F12 N4 O26 P2 -","1","0.5","","Jiang, Lin; Liu, Bin; Zhao, Hao-Wen; Tian, Jin-Lei; Liu, Xin; Yan, Shi-Ping","Compartmental ligand approach for constructing 3d‒4f heterometallic [CuII5LnIII2] clusters: synthesis and magnetostructural properties","CrystEngComm","2017","19","13","1816","","10.1039/C6CE02519F","","","0.71073","MoKα","","0.0387","0.0333","","","0.0813","0.0833","","","","","","0.9553","","","","has coordinates","195021","2020-10-21","18:00:00",""
"7227734","12.835","0.003","16.082","0.003","18.97","0.004","90","","105.8","0.03","90","","3767.7","1.5","293","2","293","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C58 H96 Cu5 Dy2 N6 O34 -","- C58 H96 Cu5 Dy2 N6 O34 -","- C116 H192 Cu10 Dy4 N12 O68 -","2","0.5","","Jiang, Lin; Liu, Bin; Zhao, Hao-Wen; Tian, Jin-Lei; Liu, Xin; Yan, Shi-Ping","Compartmental ligand approach for constructing 3d‒4f heterometallic [CuII5LnIII2] clusters: synthesis and magnetostructural properties","CrystEngComm","2017","19","13","1816","","10.1039/C6CE02519F","","","0.71073","MoKα","","0.0672","0.0513","","","0.1114","0.124","","","","","","1.065","","","","has coordinates","195021","2020-10-21","18:00:00",""
"7227735","9.5555","0.0019","14.872","0.003","14.873","0.003","63.49","0.03","84.78","0.03","71.57","0.03","1791.2","0.9","113.15","","113.15","","","","","","","","","8","P -1","-P 1","2","","","","- C50 H74 Cu5 F12 N4 O26 P2 Sm2 -","- C50 H74 Cu5 F12 N4 O26 P2 Sm2 -","- C50 H74 Cu5 F12 N4 O26 P2 Sm2 -","1","0.5","","Jiang, Lin; Liu, Bin; Zhao, Hao-Wen; Tian, Jin-Lei; Liu, Xin; Yan, Shi-Ping","Compartmental ligand approach for constructing 3d‒4f heterometallic [CuII5LnIII2] clusters: synthesis and magnetostructural properties","CrystEngComm","2017","19","13","1816","","10.1039/C6CE02519F","","","0.71073","MoKα","","0.039","0.0335","","","0.0915","0.1049","","","","","","1.0134","","","","has coordinates,has disorder","195021","2020-10-21","18:00:00",""
"7227736","12.795","0.003","16.128","0.003","19.041","0.004","90","","105.99","0.03","90","","3777.2","1.5","293","2","293","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C58 H96 Cu5 N6 O34 Tb2 -","- C58 H96 Cu5 N6 O34 Tb2 -","- C116 H192 Cu10 N12 O68 Tb4 -","2","0.5","","Jiang, Lin; Liu, Bin; Zhao, Hao-Wen; Tian, Jin-Lei; Liu, Xin; Yan, Shi-Ping","Compartmental ligand approach for constructing 3d‒4f heterometallic [CuII5LnIII2] clusters: synthesis and magnetostructural properties","CrystEngComm","2017","19","13","1816","","10.1039/C6CE02519F","","","0.71073","MoKα","","0.0683","0.0606","","","0.1606","0.1701","","","","","","1.065","","","","has coordinates","195021","2020-10-21","18:00:00",""
"7227737","12.8616","0.0003","16.2208","0.0004","18.8147","0.0005","90","","104.605","0.003","90","","3798.39","0.17","293","2","293","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C50 H74 Cu5 N6 O30 Tm2 -","- C50 H74 Cu5 N6 O30 Tm2 -","- C100 H148 Cu10 N12 O60 Tm4 -","2","0.5","","Jiang, Lin; Liu, Bin; Zhao, Hao-Wen; Tian, Jin-Lei; Liu, Xin; Yan, Shi-Ping","Compartmental ligand approach for constructing 3d‒4f heterometallic [CuII5LnIII2] clusters: synthesis and magnetostructural properties","CrystEngComm","2017","19","13","1816","","10.1039/C6CE02519F","","","0.71073","MoKα","","0.081","0.0465","","","0.1125","0.129","","","","","","1.044","","","","has coordinates","195021","2020-10-21","18:00:00",""
"7227738","12.813","0.003","16.135","0.003","19.072","0.004","90","","105.84","0.03","90","","3793.2","1.5","293","2","293","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C58 H96 Cu5 Gd2 N6 O34 -","- C58 H96 Cu5 Gd2 N6 O34 -","- C116 H192 Cu10 Gd4 N12 O68 -","2","0.5","","Jiang, Lin; Liu, Bin; Zhao, Hao-Wen; Tian, Jin-Lei; Liu, Xin; Yan, Shi-Ping","Compartmental ligand approach for constructing 3d‒4f heterometallic [CuII5LnIII2] clusters: synthesis and magnetostructural properties","CrystEngComm","2017","19","13","1816","","10.1039/C6CE02519F","","","0.71073","MoKα","","0.0563","0.0416","","","0.0903","0.1001","","","","","","1.041","","","","has coordinates","195021","2020-10-21","18:00:00",""
"7227739","12.964","0.005","16.269","0.006","19.079","0.007","90","","105.362","0.006","90","","3880","3","296","2","296.15","","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C58 H96 Cu5 N6 O34 Yb2 -","- C58 H96 Cu5 N6 O34 Yb2 -","- C116 H192 Cu10 N12 O68 Yb4 -","2","0.5","","Jiang, Lin; Liu, Bin; Zhao, Hao-Wen; Tian, Jin-Lei; Liu, Xin; Yan, Shi-Ping","Compartmental ligand approach for constructing 3d‒4f heterometallic [CuII5LnIII2] clusters: synthesis and magnetostructural properties","CrystEngComm","2017","19","13","1816","","10.1039/C6CE02519F","","","0.71073","MoKα","","0.053","0.0364","","","0.0873","0.1023","","","","","","1.153","","","","has coordinates","195021","2020-10-21","18:00:00",""
"7227740","10.0009","0.0005","10.7218","0.0005","21.5824","0.0011","81.629","0.003","81.306","0.003","73.137","0.003","2176.58","0.19","296","2","296","2","","","","","","","","4","P -1","-P 1","2","","","","- C44 H64 N4 O6 -","- C44 H64 N4 O6 -","- C88 H128 N8 O12 -","2","1","","Martins, Felipe Terra; Maia, Lauro June Queiroz; da Silva Neto, Leonardo; da Silva, Cleiton Moreira; Sarotti, Ariel M.; de Fátima, Ângelo","Solvatomorphs of 25,26,27,28-tetrahydroxycalix[4]arene and 5,11,17,23-tetramino-25,26,27,28-tetrabutoxycalix[4]arene: quenching photoluminescence through switching the guest","CrystEngComm","2017","19","13","1792","","10.1039/C6CE02649D","","","0.71073","MoKα","","0.1297","0.0704","","","0.2011","0.2377","","","","","","1.037","","","","has coordinates,has disorder","195023","2020-10-21","18:00:00",""
"7227741","18.536","0.0013","33.68","0.003","16.0933","0.0011","90","","113.747","0.004","90","","9196.3","1.2","296","2","296","2","","","","","","","","3","C 1 2/m 1","-C 2y","12","","","","- C88 H90 O17 -","- C88 H90 O17 -","- C352 H360 O68 -","4","0.5","","Martins, Felipe Terra; Maia, Lauro June Queiroz; da Silva Neto, Leonardo; da Silva, Cleiton Moreira; Sarotti, Ariel M.; de Fátima, Ângelo","Solvatomorphs of 25,26,27,28-tetrahydroxycalix[4]arene and 5,11,17,23-tetramino-25,26,27,28-tetrabutoxycalix[4]arene: quenching photoluminescence through switching the guest","CrystEngComm","2017","19","13","1792","","10.1039/C6CE02649D","","","0.71073","MoKα","","0.2162","0.1648","","","0.4357","0.4633","","","","","","1.481","","","","has coordinates","195023","2020-10-21","18:00:00",""
"7227742","17.286","0.003","18.154","0.003","18.412","0.003","114.488","0.009","93.801","0.009","116.859","0.009","4456.2","1.5","296","2","296","2","","","","","","","","4","P -1","-P 1","2","","","","- C32 H36 O6 S2 -","- C32 H36 O6 S2 -","- C192 H216 O36 S12 -","6","3","","Martins, Felipe Terra; Maia, Lauro June Queiroz; da Silva Neto, Leonardo; da Silva, Cleiton Moreira; Sarotti, Ariel M.; de Fátima, Ângelo","Solvatomorphs of 25,26,27,28-tetrahydroxycalix[4]arene and 5,11,17,23-tetramino-25,26,27,28-tetrabutoxycalix[4]arene: quenching photoluminescence through switching the guest","CrystEngComm","2017","19","13","1792","","10.1039/C6CE02649D","","","0.71073","MoKα","","0.2972","0.1415","","","0.3582","0.4586","","","","","","1.114","","","","has coordinates","195023","2020-10-21","18:00:00",""
"7227743","47.845","0.009","10.2532","0.0012","19.755","0.004","90","","102.025","0.011","90","","9478","3","296","2","296","2","","","","","","","","5","C 1 c 1","C -2yc","9","","","","- C46 H70 N4 O7 S -","- C46 H70 N4 O7 S -","- C368 H560 N32 O56 S8 -","8","2","","Martins, Felipe Terra; Maia, Lauro June Queiroz; da Silva Neto, Leonardo; da Silva, Cleiton Moreira; Sarotti, Ariel M.; de Fátima, Ângelo","Solvatomorphs of 25,26,27,28-tetrahydroxycalix[4]arene and 5,11,17,23-tetramino-25,26,27,28-tetrabutoxycalix[4]arene: quenching photoluminescence through switching the guest","CrystEngComm","2017","19","13","1792","","10.1039/C6CE02649D","","","0.71073","MoKα","","0.1799","0.0795","","","0.1958","0.2472","","","","","","0.961","","","","has coordinates,has disorder","195023","2020-10-21","18:00:00",""
"7227744","11.0733","0.0007","6.1594","0.0003","15.85","0.0012","90","","110.183","0.002","90","","1014.67","0.11","296","2","296","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","4,4'-2Me-1,4-bis(5-phenylfuran-2-yl)benzene","","- C28 H22 O2 -","- C28 H22 O2 -","- C56 H44 O4 -","2","0.5","","Kazantsev, Maxim S.; Beloborodova, Alina A.; Frantseva, Ekaterina S.; Rybalova, Tatyana V.; Konstantinov, Vladislav G.; Shundrina, Inna K.; Paraschuk, Dmitry Yu.; Mostovich, Evgeny A.","Methyl substituent effect on structure, luminescence and semiconducting properties of furan/phenylene co-oligomer single crystals","CrystEngComm","2017","19","13","1809","","10.1039/C6CE02565J","","","0.71073","MoKα","","0.0456","0.0355","","","0.1034","0.1258","","","","","","1.157","","","","has coordinates","195025","2020-10-21","18:00:00",""
"7227745","20.407","0.004","7.2998","0.0014","6.2","0.0011","90","","97.773","0.006","90","","915.1","0.3","200","2","200","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","1,4-bis(5-phenylfuran-2-yl)benzene","","- C26 H18 O2 -","- C26 H18 O2 -","- C52 H36 O4 -","2","0.5","","Kazantsev, Maxim S.; Beloborodova, Alina A.; Frantseva, Ekaterina S.; Rybalova, Tatyana V.; Konstantinov, Vladislav G.; Shundrina, Inna K.; Paraschuk, Dmitry Yu.; Mostovich, Evgeny A.","Methyl substituent effect on structure, luminescence and semiconducting properties of furan/phenylene co-oligomer single crystals","CrystEngComm","2017","19","13","1809","","10.1039/C6CE02565J","","","0.71073","MoKα","","0.0863","0.0567","","","0.1454","0.1719","","","","","","1.189","","","","has coordinates","195025","2020-10-21","18:00:00",""
"7227746","13.2404","0.0006","5.4901","0.0002","15.3541","0.0007","90","","90.015","0.002","90","","1116.11","0.08","296","2","296","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","3,5,3',5'-4Me-1,4-bis(5-phenylfuran-2-yl)benzene","","- C30 H26 O2 -","- C30 H26 O2 -","- C60 H52 O4 -","2","0.5","","Kazantsev, Maxim S.; Beloborodova, Alina A.; Frantseva, Ekaterina S.; Rybalova, Tatyana V.; Konstantinov, Vladislav G.; Shundrina, Inna K.; Paraschuk, Dmitry Yu.; Mostovich, Evgeny A.","Methyl substituent effect on structure, luminescence and semiconducting properties of furan/phenylene co-oligomer single crystals","CrystEngComm","2017","19","13","1809","","10.1039/C6CE02565J","","","0.71073","MoKα","","0.0662","0.0494","","","0.1383","0.1815","","","","","","1.233","","","","has coordinates","195025","2020-10-21","18:00:00",""
"7227747","39.169","0.008","7.5511","0.0015","16.702","0.003","90","","95.27","0.03","90","","4919.1","1.7","293","2","293","2","","","","","","","synthesis as described","4","C 1 2 1","C 2y","5","","2,5-Bis(17alpha-ethynyl-5delta-androst-2-en-17beta-ol)-4-nitroaniline","","- C48 H62 N2 O4 -","- C48 H62 N2 O4 -","- C192 H248 N8 O16 -","4","1","","Aguilar-Valdez, Nancy; Maldonado-Domínguez, Mauricio; Arcos-Ramos, Rafael; Romero-Ávila, Margarita; Santillan, Rosa; Farfán, Norberto","Synthesis of steroidal molecular compasses: exploration of the controlled assembly of solid organic materials","CrystEngComm","2017","19","13","1771","","10.1039/C7CE00157F","","x-ray","0.71073","MoKα","","0.1544","0.0873","","","0.2242","0.2703","","","","","","1.012","","","","has coordinates","206489","2020-10-21","18:00:00",""
"7227748","11.8249","0.0002","13.9462","0.0003","26.1937","0.0005","90","","90","","90","","4319.67","0.14","173","2","173","2","","","","","","","synthesis as described","4","P 21 21 21","P 2ac 2ab","19","","2,5-Bis(17alpha-ethynyl-estra-1,3,5-(10)-trien-17beta-ol-3-methyl ether)-4-nitroaniline","","- C48 H54 N2 O6 -","- C48 H54 N2 O6 -","- C192 H216 N8 O24 -","4","1","","Aguilar-Valdez, Nancy; Maldonado-Domínguez, Mauricio; Arcos-Ramos, Rafael; Romero-Ávila, Margarita; Santillan, Rosa; Farfán, Norberto","Synthesis of steroidal molecular compasses: exploration of the controlled assembly of solid organic materials","CrystEngComm","2017","19","13","1771","","10.1039/C7CE00157F","","x-ray","0.71073","MoKα","","0.0843","0.0547","","","0.1386","0.1544","","","","","","1.03","","","","has coordinates","195026","2020-10-21","18:00:00",""
"7227749","13.3831","0.0012","10.0721","0.0008","11.1876","0.0011","90","","90.401","0.009","90","","1508","0.2","293","","293","","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C10 H8 Br2 Hg N2 S2 -","- C10 H8 Br2 Hg N2 S2 -","- C40 H32 Br8 Hg4 N8 S8 -","4","0.5","","Azhdari Tehrani, Alireza; Ghasempour, Hosein; Morsali, Ali; Bauzá, Antonio; Frontera, Antonio; Retailleau, Pascal","Unraveling the dual character of sulfur atoms in a series of Hg(ii) coordination polymers containing bis(4-pyridyl)disulfide","CrystEngComm","2017","19","14","1974","","10.1039/C7CE00033B","","x-ray","0.71073","MoKα","","0.0438","0.0354","","","0.0866","0.0898","","","","","","1.028","","","","has coordinates","195034","2020-10-21","18:00:00",""
"7227750","12.9022","0.001","9.8132","0.0011","11.2707","0.0008","90","","93.389","0.007","90","","1424.5","0.2","293","","293","","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C10 H8 Cl2 Hg N2 S2 -","- C10 H8 Cl2 Hg N2 S2 -","- C40 H32 Cl8 Hg4 N8 S8 -","4","0.5","","Azhdari Tehrani, Alireza; Ghasempour, Hosein; Morsali, Ali; Bauzá, Antonio; Frontera, Antonio; Retailleau, Pascal","Unraveling the dual character of sulfur atoms in a series of Hg(ii) coordination polymers containing bis(4-pyridyl)disulfide","CrystEngComm","2017","19","14","1974","","10.1039/C7CE00033B","","","0.71075","MoKα","","0.0205","0.0178","","","0.0357","0.0361","","","","","","0.883","","","","has coordinates","195034","2020-10-21","18:00:00",""
"7227751","13.9527","0.0011","10.2881","0.0008","10.9667","0.0009","90","","94.445","0.009","90","","1569.5","0.2","173","","173","","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C10 H8 Hg I2 N2 S2 -","- C10 H8 Hg I2 N2 S2 -","- C40 H32 Hg4 I8 N8 S8 -","4","0.5","","Azhdari Tehrani, Alireza; Ghasempour, Hosein; Morsali, Ali; Bauzá, Antonio; Frontera, Antonio; Retailleau, Pascal","Unraveling the dual character of sulfur atoms in a series of Hg(ii) coordination polymers containing bis(4-pyridyl)disulfide","CrystEngComm","2017","19","14","1974","","10.1039/C7CE00033B","","","0.71075","MoKα","","0.0197","0.0177","","","0.0409","0.0414","","","","","","1.035","","","","has coordinates","195034","2020-10-21","18:00:00",""
"7227752","9.7948","0.0005","10.1059","0.0005","22.8628","0.0011","90","","101.365","0.001","90","","2218.71","0.19","200.15","","200.15","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","[Mn(saltmen)(Hfmac)]","[Mn(saltmen)(Hfmac)]","","- C24 H25 Mn N2 O6 -","- C24 H25 Mn N2 O6 -","- C96 H100 Mn4 N8 O24 -","4","1","","Su, Yu-Jun; Wei, Ke-Xin; Huang, Bo; Xu, Wei-Jian; Zhang, Wei-Xiong; Zeng, Ming-Hua; Chen, Xiao-Ming","Deformable Mn(iii)‒Schiff-base dimer for anomalously large positive and negative anisotropic thermal expansions","CrystEngComm","2017","19","13","1725","","10.1039/C7CE00292K","","","0.71073","MoKα","","0.0479","0.0412","","","0.1074","0.1115","","","","","","1.07","","","","has coordinates,has disorder","195029","2020-10-21","18:00:00",""
"7227753","9.8352","0.0005","10.4074","0.0005","22.6698","0.0011","90","","101.884","0.001","90","","2270.72","0.19","350.15","","350.15","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","[Mn(saltmen)(Hfmac)]","[Mn(saltmen)(Hfmac)]","","- C24 H25 Mn N2 O6 -","- C24 H25 Mn N2 O6 -","- C96 H100 Mn4 N8 O24 -","4","1","","Su, Yu-Jun; Wei, Ke-Xin; Huang, Bo; Xu, Wei-Jian; Zhang, Wei-Xiong; Zeng, Ming-Hua; Chen, Xiao-Ming","Deformable Mn(iii)‒Schiff-base dimer for anomalously large positive and negative anisotropic thermal expansions","CrystEngComm","2017","19","13","1725","","10.1039/C7CE00292K","","","0.71073","MoKα","","0.0598","0.0449","","","0.114","0.1239","","","","","","1.071","","","","has coordinates,has disorder","195029","2020-10-21","18:00:00",""
"7227754","9.7701","0.0013","10.0137","0.0013","22.834","0.003","90","","101.106","0.004","90","","2192.1","0.5","150","","150","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","[Mn(saltmen)(Hfmac)]","[Mn(saltmen)(Hfmac)]","","- C24 H25 Mn N2 O6 -","- C24 H25 Mn N2 O6 -","- C96 H100 Mn4 N8 O24 -","4","1","","Su, Yu-Jun; Wei, Ke-Xin; Huang, Bo; Xu, Wei-Jian; Zhang, Wei-Xiong; Zeng, Ming-Hua; Chen, Xiao-Ming","Deformable Mn(iii)‒Schiff-base dimer for anomalously large positive and negative anisotropic thermal expansions","CrystEngComm","2017","19","13","1725","","10.1039/C7CE00292K","","","0.71073","MoKα","","0.0694","0.0598","","","0.1527","0.1603","","","","","","1.058","","","","has coordinates,has disorder","195029","2020-10-21","18:00:00",""
"7227755","9.8143","0.0004","10.2937","0.0004","22.7516","0.0008","90","","101.785","0.001","90","","2250.04","0.15","300","","300","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","[Mn(saltmen)(Hfmac)]","[Mn(saltmen)(Hfmac)]","","- C24 H25 Mn N2 O6 -","- C24 H25 Mn N2 O6 -","- C96 H100 Mn4 N8 O24 -","4","1","","Su, Yu-Jun; Wei, Ke-Xin; Huang, Bo; Xu, Wei-Jian; Zhang, Wei-Xiong; Zeng, Ming-Hua; Chen, Xiao-Ming","Deformable Mn(iii)‒Schiff-base dimer for anomalously large positive and negative anisotropic thermal expansions","CrystEngComm","2017","19","13","1725","","10.1039/C7CE00292K","","","0.71073","MoKα","","0.0519","0.0436","","","0.1134","0.1184","","","","","","1.044","","","","has coordinates,has disorder","195029","2020-10-21","18:00:00",""
"7227756","9.808","0.0003","10.2049","0.0004","22.817","0.0008","90","","101.631","0.001","90","","2236.85","0.14","250.15","","250.15","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","[Mn(saltmen)(Hfmac)]","[Mn(saltmen)(Hfmac)]","","- C24 H25 Mn N2 O6 -","- C24 H25 Mn N2 O6 -","- C96 H100 Mn4 N8 O24 -","4","1","","Su, Yu-Jun; Wei, Ke-Xin; Huang, Bo; Xu, Wei-Jian; Zhang, Wei-Xiong; Zeng, Ming-Hua; Chen, Xiao-Ming","Deformable Mn(iii)‒Schiff-base dimer for anomalously large positive and negative anisotropic thermal expansions","CrystEngComm","2017","19","13","1725","","10.1039/C7CE00292K","","","0.71073","MoKα","","0.0431","0.0372","","","0.097","0.101","","","","","","1.041","","","","has coordinates,has disorder","195029","2020-10-21","18:00:00",""
"7227757","10.8035","0.0006","11.0281","0.0006","16.5111","0.0008","83.101","0.004","78.246","0.004","86.292","0.004","1910.34","0.18","295","2","295","2","","","","","","","","7","P -1","-P 1","2","","","","- C26 H20 Cl2 N2 O19 Pb4 S4 -","- C26 H20 Cl2 N2 O19 Pb4 S4 -","- C52 H40 Cl4 N4 O38 Pb8 S8 -","2","1","","Huang, Guo-Zhen; Zou, Xin; Zhu, Zhi-Biao; Deng, Zhao-Peng; Huo, Li-Hua; Gao, Shan","Effect of ligand configurations, secondary Pb‒O interactions and auxiliary ligands on Pb(ii)‒mono/disulfonate complexes: syntheses, structures, and luminescence properties","CrystEngComm","2017","19","13","1778","","10.1039/C7CE00071E","","","0.71073","MoKα","","0.0639","0.0434","","","0.0682","0.076","","","","","","1.001","","","","has coordinates","195030","2020-10-21","18:00:00",""
"7227758","33.4445","0.0016","10.358","0.0005","7.975","0.0003","90","","101.332","0.004","90","","2708.8","0.2","295","2","295","2","","","","","","","","7","C 1 2/c 1","-C 2yc","15","","","","- C11 H9 Cl N O5 Pb S -","- C11 H9 Cl N O5 Pb S -","- C88 H72 Cl8 N8 O40 Pb8 S8 -","8","1","","Huang, Guo-Zhen; Zou, Xin; Zhu, Zhi-Biao; Deng, Zhao-Peng; Huo, Li-Hua; Gao, Shan","Effect of ligand configurations, secondary Pb‒O interactions and auxiliary ligands on Pb(ii)‒mono/disulfonate complexes: syntheses, structures, and luminescence properties","CrystEngComm","2017","19","13","1778","","10.1039/C7CE00071E","","","0.71073","MoKα","","0.0768","0.0621","","","0.1739","0.1876","","","","","","1.024","","","","has coordinates","195030","2020-10-21","18:00:00",""
"7227759","7.1884","0.0005","10.6571","0.0007","12.4644","0.0008","92.225","0.005","91.08","0.006","109.457","0.006","899.14","0.11","295","2","295","2","","","","","","","","6","P -1","-P 1","2","","","","- C12 H8 Cl2 O9 Pb2 S2 -","- C12 H8 Cl2 O9 Pb2 S2 -","- C24 H16 Cl4 O18 Pb4 S4 -","2","1","","Huang, Guo-Zhen; Zou, Xin; Zhu, Zhi-Biao; Deng, Zhao-Peng; Huo, Li-Hua; Gao, Shan","Effect of ligand configurations, secondary Pb‒O interactions and auxiliary ligands on Pb(ii)‒mono/disulfonate complexes: syntheses, structures, and luminescence properties","CrystEngComm","2017","19","13","1778","","10.1039/C7CE00071E","","","0.71073","MoKα","","0.0567","0.04","","","0.0724","0.0783","","","","","","1.003","","","","has coordinates","195030","2020-10-21","18:00:00",""
"7227760","7.5895","0.0004","13.3371","0.0006","16.5241","0.0006","90","","92.337","0.004","90","","1671.21","0.13","295","2","295","2","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C32 H22 Cl2 N4 O8 Pb2 S2 -","- C32 H22 Cl2 N4 O8 Pb2 S2 -","- C64 H44 Cl4 N8 O16 Pb4 S4 -","2","0.5","","Huang, Guo-Zhen; Zou, Xin; Zhu, Zhi-Biao; Deng, Zhao-Peng; Huo, Li-Hua; Gao, Shan","Effect of ligand configurations, secondary Pb‒O interactions and auxiliary ligands on Pb(ii)‒mono/disulfonate complexes: syntheses, structures, and luminescence properties","CrystEngComm","2017","19","13","1778","","10.1039/C7CE00071E","","","0.71073","MoKα","","0.0615","0.0436","","","0.0873","0.0964","","","","","","1.043","","","","has coordinates","195030","2020-10-21","18:00:00",""
"7227761","7.712","0.0003","9.8706","0.0005","17.3297","0.0008","90","","95.495","0.004","90","","1313.11","0.1","295","2","295","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C6 H9 Cl O10 Pb S2 -","- C6 H9 Cl O10 Pb S2 -","- C24 H36 Cl4 O40 Pb4 S8 -","4","1","","Huang, Guo-Zhen; Zou, Xin; Zhu, Zhi-Biao; Deng, Zhao-Peng; Huo, Li-Hua; Gao, Shan","Effect of ligand configurations, secondary Pb‒O interactions and auxiliary ligands on Pb(ii)‒mono/disulfonate complexes: syntheses, structures, and luminescence properties","CrystEngComm","2017","19","13","1778","","10.1039/C7CE00071E","","","0.71073","MoKα","","0.0624","0.0465","","","0.0947","0.1032","","","","","","1.024","","","","has coordinates","195030","2020-10-21","18:00:00",""
"7227762","9.9814","0.0005","14.3511","0.0008","14.5242","0.0008","70.188","0.005","83.453","0.005","87.315","0.005","1944.52","0.19","295","2","295","2","","","","","","","","7","P -1","-P 1","2","","","","- C24 H26 Cl2 N2 O21 Pb3 S4 -","- C24 H26 Cl2 N2 O21 Pb3 S4 -","- C48 H52 Cl4 N4 O42 Pb6 S8 -","2","1","","Huang, Guo-Zhen; Zou, Xin; Zhu, Zhi-Biao; Deng, Zhao-Peng; Huo, Li-Hua; Gao, Shan","Effect of ligand configurations, secondary Pb‒O interactions and auxiliary ligands on Pb(ii)‒mono/disulfonate complexes: syntheses, structures, and luminescence properties","CrystEngComm","2017","19","13","1778","","10.1039/C7CE00071E","","","0.71073","MoKα","","0.0731","0.0485","","","0.0984","0.11","","","","","","1.025","","","","has coordinates","195030","2020-10-21","18:00:00",""
"7227763","9.3621","0.0006","9.7551","0.0005","10.9477","0.0008","80.577","0.005","69.059","0.006","88.515","0.005","920.62","0.11","295","2","295","2","","","","","","","","7","P -1","-P 1","2","","","","- C36 H26 Cl2 N4 O10 Pb2 S2 -","- C36 H26 Cl2 N4 O10 Pb2 S2 -","- C36 H26 Cl2 N4 O10 Pb2 S2 -","1","0.5","","Huang, Guo-Zhen; Zou, Xin; Zhu, Zhi-Biao; Deng, Zhao-Peng; Huo, Li-Hua; Gao, Shan","Effect of ligand configurations, secondary Pb‒O interactions and auxiliary ligands on Pb(ii)‒mono/disulfonate complexes: syntheses, structures, and luminescence properties","CrystEngComm","2017","19","13","1778","","10.1039/C7CE00071E","","","0.71073","MoKα","","0.0518","0.0393","","","0.0616","0.0662","","","","","","1.005","","","","has coordinates","195030","2020-10-21","18:00:00",""
"7227764","8.5537","0.001","9.2608","0.0015","13.8202","0.0014","99.041","0.011","102.3","0.009","108.323","0.012","985.3","0.2","295","2","295","2","","","","","","","","7","P -1","-P 1","2","","","","- C16 H15 Cl N2 O9 Pb S2 -","- C16 H15 Cl N2 O9 Pb S2 -","- C32 H30 Cl2 N4 O18 Pb2 S4 -","2","1","","Huang, Guo-Zhen; Zou, Xin; Zhu, Zhi-Biao; Deng, Zhao-Peng; Huo, Li-Hua; Gao, Shan","Effect of ligand configurations, secondary Pb‒O interactions and auxiliary ligands on Pb(ii)‒mono/disulfonate complexes: syntheses, structures, and luminescence properties","CrystEngComm","2017","19","13","1778","","10.1039/C7CE00071E","","","0.71073","MoKα","","0.0702","0.0555","","","0.1197","0.1302","","","","","","1.04","","","","has coordinates","195030","2020-10-21","18:00:00",""
"7227765","16.66839","0.00021","3.77859","0.000052","6.289797","0.000081","90","","90.2084","0.00088","90","","396.148","0.009","300","","300","","","","","","","","","3","C 1 2/m 1","-C 2y","12","","","","- O10 S Sm2 -","- O10 S Sm2 -","- O20 S2 Sm4 -","2","0.25","","Wang, Xuejiao; Li, Ji-Guang; Molokeev, Maxim S.; Wang, Xiaojun; Liu, Weigang; Zhu, Qi; Tanaka, Hidehiko; Suzuta, Keiko; Kim, Byung-Nam; Sakka, Yoshio","Hydrothermal crystallization of a Ln2(OH)4SO4·nH2O layered compound for a wide range of Ln (Ln = La‒Dy), thermolysis, and facile transformation into oxysulfate and oxysulfide phosphors","RSC Adv.","2017","7","22","13331","","10.1039/C7RA00645D","powder diffraction","x-ray","1.5406","CuKα~1~~2~","","","","","","","","","3.54","1.992","","","","","","","has coordinates","205493","2020-10-21","18:00:00",""
"7227766","16.64411","0.00029","3.752217","0.000092","6.27044","0.0001","90","","90.1141","0.0013","90","","391.603","0.013","300","","300","","","","","","","","","3","C 1 2/m 1","-C 2y","12","","","","- Eu2 O10 S -","- Eu2 O10 S -","- Eu4 O20 S2 -","2","0.25","","Wang, Xuejiao; Li, Ji-Guang; Molokeev, Maxim S.; Wang, Xiaojun; Liu, Weigang; Zhu, Qi; Tanaka, Hidehiko; Suzuta, Keiko; Kim, Byung-Nam; Sakka, Yoshio","Hydrothermal crystallization of a Ln2(OH)4SO4·nH2O layered compound for a wide range of Ln (Ln = La‒Dy), thermolysis, and facile transformation into oxysulfate and oxysulfide phosphors","RSC Adv.","2017","7","22","13331","","10.1039/C7RA00645D","powder diffraction","x-ray","1.5406","CuKα~1~~2~","","","","","","","","","3.77","2.497","","","","","","","has coordinates","205493","2020-10-21","18:00:00",""
"7227767","16.58166","0.00038","3.682131","0.000063","6.21443","0.0001","90","","90.0337","0.0037","90","","379.427","0.012","300","","300","","","","","","","","","3","C 1 2/m 1","-C 2y","12","","","","- Dy2 O10 S -","- Dy2 O10 S -","- Dy4 O20 S2 -","2","0.25","","Wang, Xuejiao; Li, Ji-Guang; Molokeev, Maxim S.; Wang, Xiaojun; Liu, Weigang; Zhu, Qi; Tanaka, Hidehiko; Suzuta, Keiko; Kim, Byung-Nam; Sakka, Yoshio","Hydrothermal crystallization of a Ln2(OH)4SO4·nH2O layered compound for a wide range of Ln (Ln = La‒Dy), thermolysis, and facile transformation into oxysulfate and oxysulfide phosphors","RSC Adv.","2017","7","22","13331","","10.1039/C7RA00645D","powder diffraction","x-ray","1.5406","CuKα~1~~2~","","","","","","","","","3.19","1.566","","","","","","","has coordinates","205493","2020-10-21","18:00:00",""
"7227768","16.63622","0.00077","3.73123","0.00014","6.25297","0.00029","90","","90.0636","0.0077","90","","388.14","0.03","300","","300","","","","","","","","","3","C 1 2/m 1","-C 2y","12","","","","- Gd2 O10 S -","- Gd2 O10 S -","- Gd4 O20 S2 -","2","0.25","","Wang, Xuejiao; Li, Ji-Guang; Molokeev, Maxim S.; Wang, Xiaojun; Liu, Weigang; Zhu, Qi; Tanaka, Hidehiko; Suzuta, Keiko; Kim, Byung-Nam; Sakka, Yoshio","Hydrothermal crystallization of a Ln2(OH)4SO4·nH2O layered compound for a wide range of Ln (Ln = La‒Dy), thermolysis, and facile transformation into oxysulfate and oxysulfide phosphors","RSC Adv.","2017","7","22","13331","","10.1039/C7RA00645D","powder diffraction","x-ray","1.5406","CuKα~1~~2~","","","","","","","","","1.04","1.267","","","","","","","has coordinates","205493","2020-10-21","18:00:00",""
"7227769","16.59872","0.00055","3.70483","0.00011","6.23157","0.00019","90","","90.0909","0.0046","90","","383.21","0.02","300","","300","","","","","","","","","3","C 1 2/m 1","-C 2y","12","","","","- O10 S Tb2 -","- O10 S Tb2 -","- O20 S2 Tb4 -","2","0.25","","Wang, Xuejiao; Li, Ji-Guang; Molokeev, Maxim S.; Wang, Xiaojun; Liu, Weigang; Zhu, Qi; Tanaka, Hidehiko; Suzuta, Keiko; Kim, Byung-Nam; Sakka, Yoshio","Hydrothermal crystallization of a Ln2(OH)4SO4·nH2O layered compound for a wide range of Ln (Ln = La‒Dy), thermolysis, and facile transformation into oxysulfate and oxysulfide phosphors","RSC Adv.","2017","7","22","13331","","10.1039/C7RA00645D","powder diffraction","x-ray","1.5406","CuKα~1~~2~","","","","","","","","","0.9","1.455","","","","","","","has coordinates","205493","2020-10-21","18:00:00",""
"7227770","16.8","0.002","3.89198","0.0004","6.39427","0.00075","90","","90.4448","0.005","90","","418.08","0.08","300","","300","","","","","","","","","3","C 1 2/m 1","-C 2y","12","","","","- Ce2 O10 S -","- Ce2 O10 S -","- Ce4 O20 S2 -","2","0.25","","Wang, Xuejiao; Li, Ji-Guang; Molokeev, Maxim S.; Wang, Xiaojun; Liu, Weigang; Zhu, Qi; Tanaka, Hidehiko; Suzuta, Keiko; Kim, Byung-Nam; Sakka, Yoshio","Hydrothermal crystallization of a Ln2(OH)4SO4·nH2O layered compound for a wide range of Ln (Ln = La‒Dy), thermolysis, and facile transformation into oxysulfate and oxysulfide phosphors","RSC Adv.","2017","7","22","13331","","10.1039/C7RA00645D","powder diffraction","x-ray","1.5406","CuKα~1~~2~","","","","","","","","","1.55","1.395","","","","","","","has coordinates","205493","2020-10-21","18:00:00",""
"7227771","16.7586","0.0022","3.85723","0.00051","6.35696","0.00085","90","","90.3911","0.0032","90","","410.92","0.09","300","","300","","","","","","","","","3","C 1 2/m 1","-C 2y","12","","","","- O10 Pr2 S -","- O10 Pr2 S -","- O20 Pr4 S2 -","2","0.25","","Wang, Xuejiao; Li, Ji-Guang; Molokeev, Maxim S.; Wang, Xiaojun; Liu, Weigang; Zhu, Qi; Tanaka, Hidehiko; Suzuta, Keiko; Kim, Byung-Nam; Sakka, Yoshio","Hydrothermal crystallization of a Ln2(OH)4SO4·nH2O layered compound for a wide range of Ln (Ln = La‒Dy), thermolysis, and facile transformation into oxysulfate and oxysulfide phosphors","RSC Adv.","2017","7","22","13331","","10.1039/C7RA00645D","powder diffraction","x-ray","1.5406","CuKα~1~~2~","","","","","","","","","4","3.576","","","","","","","has coordinates","205493","2020-10-21","18:00:00",""
"7227772","16.74223","0.00059","3.83065","0.00014","6.33686","0.00026","90","","90.2964","0.0022","90","","406.4","0.03","300","","300","","","","","","","","","3","C 1 2/m 1","-C 2y","12","","","","- Nd2 O10 S -","- Nd2 O10 S -","- Nd4 O20 S2 -","2","0.25","","Wang, Xuejiao; Li, Ji-Guang; Molokeev, Maxim S.; Wang, Xiaojun; Liu, Weigang; Zhu, Qi; Tanaka, Hidehiko; Suzuta, Keiko; Kim, Byung-Nam; Sakka, Yoshio","Hydrothermal crystallization of a Ln2(OH)4SO4·nH2O layered compound for a wide range of Ln (Ln = La‒Dy), thermolysis, and facile transformation into oxysulfate and oxysulfide phosphors","RSC Adv.","2017","7","22","13331","","10.1039/C7RA00645D","powder diffraction","x-ray","1.5406","CuKα~1~~2~","","","","","","","","","2.7","3.52","","","","","","","has coordinates","205493","2020-10-21","18:00:00",""
"7227773","16.8847","0.00061","3.94202","0.00012","6.43589","0.00021","90","","90.4539","0.0021","90","","428.36","0.02","300","","300","","","","","","","","","3","C 1 2/m 1","-C 2y","12","","","","- La2 O10 S -","- La2 O10 S -","- La4 O20 S2 -","2","0.25","","Wang, Xuejiao; Li, Ji-Guang; Molokeev, Maxim S.; Wang, Xiaojun; Liu, Weigang; Zhu, Qi; Tanaka, Hidehiko; Suzuta, Keiko; Kim, Byung-Nam; Sakka, Yoshio","Hydrothermal crystallization of a Ln2(OH)4SO4·nH2O layered compound for a wide range of Ln (Ln = La‒Dy), thermolysis, and facile transformation into oxysulfate and oxysulfide phosphors","RSC Adv.","2017","7","22","13331","","10.1039/C7RA00645D","powder diffraction","x-ray","1.5406","CuKα~1~~2~","","","","","","","","","1.47","1.578","","","","","","","has coordinates","205493","2020-10-21","18:00:00",""
"7227774","7.521","0.004","19.628","0.009","11.313","0.005","90","","90","","90","","1670","1.4","296.15","","296.15","","","","","","","","","3","P n a 21","P 2c -2n","33","","","","- C23 H17 N -","- C23 H17 N -","- C92 H68 N4 -","4","1","","Mao, Zhong-Yuan; Liao, Xiao-Yun; Wang, Heng-Shan; Wang, Chun-Gu; Huang, Ke-Bin; Pan, Ying-Ming","Acid-catalyzed tandem reaction for the synthesis of pyridine derivatives via CC/C(sp3)‒N bond cleavage of enones and primary amines","RSC Adv.","2017","7","22","13123","","10.1039/C7RA00780A","","","0.71073","MoKα","","0.0477","0.0404","","","0.1058","0.1128","","","","","","1.056","","","","has coordinates","192747","2020-10-21","18:00:00",""
"7227775","12.115","0.012","12.115","0.012","12.641","0.012","90","","90","","90","","1855","3","296","2","296.15","","","","","","","","","5","P 43 21 2","P 4nw 2abw","96","","","","- C23 H15 Cl F N -","- C23 H15 Cl F N -","- C92 H60 Cl4 F4 N4 -","4","0.5","","Mao, Zhong-Yuan; Liao, Xiao-Yun; Wang, Heng-Shan; Wang, Chun-Gu; Huang, Ke-Bin; Pan, Ying-Ming","Acid-catalyzed tandem reaction for the synthesis of pyridine derivatives via CC/C(sp3)‒N bond cleavage of enones and primary amines","RSC Adv.","2017","7","22","13123","","10.1039/C7RA00780A","","","0.71073","MoKα","","0.0398","0.0343","","","0.0856","0.0902","","","","","","1.08","","","","has coordinates,has disorder","192747","2020-10-21","18:00:00",""
"7227776","31.3469","0.0011","31.3469","0.0011","31.3469","0.0011","90","","90","","90","","30802.3","1.9","295","","295","","","","160000","","","","","4","I 4 3 2","I 4 2 3","211","γ-cyclodextrin-metal-organic framework","catena-((μ8-γ-Cyclodextrin)-di-potassium dihydroxide)","","- C48 H82 K2 O42 -","- C48 H80 K2 O42 -","- C576 H960 K24 O504 -","12","0.25","","Patyk-Kaźmierczak, Ewa; Warren, Mark R.; Allan, David R.; Katrusiak, Andrzej","Pressure inverse solubility and polymorphism of an edible γ-cyclodextrin-based metal-organic framework.","Physical chemistry chemical physics : PCCP","2017","19","13","9086","9091","10.1039/c7cp00593h","","x-ray","0.6889","synchrotron","","0.0794","0.0745","","","0.1998","0.2092","","","","","","1.13","","","","has coordinates","204138","2020-10-21","18:00:00",""
"7227777","31.3031","0.0011","31.3031","0.0011","31.3031","0.0011","90","","90","","90","","30673.4","1.9","295","","295","","","","250000","","","","","4","I 4 3 2","I 4 2 3","211","γ-cyclodextrin-metal-organic framework","catena-((μ8-γ-Cyclodextrin)-di-potassium dihydroxide)","","- C48 H82 K2 O42 -","- C48 H80 K2 O42 -","- C576 H960 K24 O504 -","12","0.25","","Patyk-Kaźmierczak, Ewa; Warren, Mark R.; Allan, David R.; Katrusiak, Andrzej","Pressure inverse solubility and polymorphism of an edible γ-cyclodextrin-based metal-organic framework.","Physical chemistry chemical physics : PCCP","2017","19","13","9086","9091","10.1039/c7cp00593h","","x-ray","0.6889","synchrotron","","0.1071","0.0955","","","0.2583","0.2807","","","","","","1.189","","","","has coordinates","204138","2020-10-21","18:00:00",""
"7227778","31.2695","0.0018","31.2695","0.0018","31.2695","0.0018","90","","90","","90","","30575","3","295","","295","","","","330000","","","","","4","I 4 3 2","I 4 2 3","211","γ-cyclodextrin-metal-organic framework","catena-((μ8-γ-Cyclodextrin)-di-potassium dihydroxide)","","- C48 H82 K2 O42 -","- C48 H80 K2 O42 -","- C576 H960 K24 O504 -","12","0.25","","Patyk-Kaźmierczak, Ewa; Warren, Mark R.; Allan, David R.; Katrusiak, Andrzej","Pressure inverse solubility and polymorphism of an edible γ-cyclodextrin-based metal-organic framework.","Physical chemistry chemical physics : PCCP","2017","19","13","9086","9091","10.1039/c7cp00593h","","x-ray","0.6889","synchrotron","","0.1019","0.0814","","","0.2122","0.2317","","","","","","1.035","","","","has coordinates","204138","2020-10-21","18:00:00",""
"7227779","31.238","0.002","31.238","0.002","31.238","0.002","90","","90","","90","","30482","3","295","","295","","","","410000","","","","","4","I 4 3 2","I 4 2 3","211","γ-cyclodextrin-metal-organic framework","catena-((μ8-γ-Cyclodextrin)-di-potassium dihydroxide)","","- C48 H82 K2 O42 -","- C48 H80 K2 O42 -","- C576 H960 K24 O504 -","12","0.25","","Patyk-Kaźmierczak, Ewa; Warren, Mark R.; Allan, David R.; Katrusiak, Andrzej","Pressure inverse solubility and polymorphism of an edible γ-cyclodextrin-based metal-organic framework.","Physical chemistry chemical physics : PCCP","2017","19","13","9086","9091","10.1039/c7cp00593h","","x-ray","0.6889","synchrotron","","0.1248","0.0922","","","0.2328","0.2494","","","","","","0.96","","","","has coordinates","204138","2020-10-21","18:00:00",""
"7227780","31.223","0.003","31.223","0.003","31.223","0.003","90","","90","","90","","30439","5","295","","295","","","","490000","","","","","4","I 4 3 2","I 4 2 3","211","γ-cyclodextrin-metal-organic framework","catena-((μ8-γ-Cyclodextrin)-di-potassium dihydroxide)","","- C48 H82 K2 O42 -","- C48 H80 K2 O42 -","- C576 H960 K24 O504 -","12","0.25","","Patyk-Kaźmierczak, Ewa; Warren, Mark R.; Allan, David R.; Katrusiak, Andrzej","Pressure inverse solubility and polymorphism of an edible γ-cyclodextrin-based metal-organic framework.","Physical chemistry chemical physics : PCCP","2017","19","13","9086","9091","10.1039/c7cp00593h","","x-ray","0.6889","synchrotron","","0.2266","0.067","","","0.1871","0.2693","","","","","","0.94","","","","has coordinates","204138","2020-10-21","18:00:00",""
"7227781","31.179","0.011","31.179","0.011","31.179","0.011","90","","90","","90","","30310","19","295","","295","","","","570000","","","","","4","I 4 3 2","I 4 2 3","211","γ-cyclodextrin-metal-organic framework","catena-((μ8-γ-Cyclodextrin)-di-potassium dihydroxide)","","- C48 H82 K2 O42 -","- C48 H80 K2 O42 -","- C576 H960 K24 O504 -","12","0.25","","Patyk-Kaźmierczak, Ewa; Warren, Mark R.; Allan, David R.; Katrusiak, Andrzej","Pressure inverse solubility and polymorphism of an edible γ-cyclodextrin-based metal-organic framework.","Physical chemistry chemical physics : PCCP","2017","19","13","9086","9091","10.1039/c7cp00593h","","x-ray","0.71073","MoKα","","0.0699","0.064","","","0.1342","0.1406","","","","","","0.944","","","","has coordinates","204138","2020-10-21","18:00:00",""
"7227782","30.988","0.003","30.988","0.003","30.988","0.003","90","","90","","90","","29756","5","295","","295","","","","860000","","","","","4","I 4 3 2","I 4 2 3","211","γ-cyclodextrin-metal-organic framework","catena-((μ8-γ-Cyclodextrin)-di-potassium dihydroxide)","","- C48 H82 K2 O42 -","- C48 H80 K2 O42 -","- C576 H960 K24 O504 -","12","0.25","","Patyk-Kaźmierczak, Ewa; Warren, Mark R.; Allan, David R.; Katrusiak, Andrzej","Pressure inverse solubility and polymorphism of an edible γ-cyclodextrin-based metal-organic framework.","Physical chemistry chemical physics : PCCP","2017","19","13","9086","9091","10.1039/c7cp00593h","","x-ray","0.71073","MoKα","","0.0863","0.0863","","","0.2187","0.2187","","","","","","1.126","","","","has coordinates","204138","2020-10-21","18:00:00",""
"7227783","30.968","0.006","30.968","0.006","30.968","0.006","90","","90","","90","","29699","10","295","","295","","","","990000","","","","","4","I 4 3 2","I 4 2 3","211","γ-cyclodextrin-metal-organic framework","catena-((μ8-γ-Cyclodextrin)-di-potassium dihydroxide)","","- C48 H82 K2 O42 -","- C48 H80 K2 O42 -","- C576 H960 K24 O504 -","12","0.25","","Patyk-Kaźmierczak, Ewa; Warren, Mark R.; Allan, David R.; Katrusiak, Andrzej","Pressure inverse solubility and polymorphism of an edible γ-cyclodextrin-based metal-organic framework.","Physical chemistry chemical physics : PCCP","2017","19","13","9086","9091","10.1039/c7cp00593h","","x-ray","0.71073","MoKα","","0.0869","0.0865","","","0.2315","0.2326","","","","","","1.174","","","","has coordinates","204138","2020-10-21","18:00:00",""
"7227784","30.898","0.003","30.898","0.003","30.898","0.003","90","","90","","90","","29498","5","295","","295","","","","1360000","","","","","4","I 4 3 2","I 4 2 3","211","γ-cyclodextrin-metal-organic framework","catena-((μ8-γ-Cyclodextrin)-di-potassium dihydroxide)","","- C48 H82 K2 O42 -","- C48 H80 K2 O42 -","- C576 H960 K24 O504 -","12","0.25","","Patyk-Kaźmierczak, Ewa; Warren, Mark R.; Allan, David R.; Katrusiak, Andrzej","Pressure inverse solubility and polymorphism of an edible γ-cyclodextrin-based metal-organic framework.","Physical chemistry chemical physics : PCCP","2017","19","13","9086","9091","10.1039/c7cp00593h","","x-ray","0.71073","MoKα","","0.0924","0.0907","","","0.2341","0.235","","","","","","1.283","","","","has coordinates","204138","2020-10-21","18:00:00",""
"7227785","43.6764","0.0014","43.6764","0.0014","28.1864","0.0009","90","","90","","120","","46565","3","295","","295","","","","","","","","","4","R 3 2","R 3 2""","155","γ-cyclodextrin-metal-organic framework","catena-((μ8-γ-Cyclodextrin)-di-potassium dihydroxide)","","- C48 H82 K2 O42 -","- C48 H80 K2 O42 -","- C864 H1440 K36 O756 -","18","","","Patyk-Kaźmierczak, Ewa; Warren, Mark R.; Allan, David R.; Katrusiak, Andrzej","Pressure inverse solubility and polymorphism of an edible γ-cyclodextrin-based metal-organic framework.","Physical chemistry chemical physics : PCCP","2017","19","13","9086","9091","10.1039/c7cp00593h","","x-ray","0.6889","synchrotron","","0.1379","0.1354","","","0.3715","0.3798","","","","","","1.946","","","","has coordinates","195186","2020-10-21","18:00:00",""
"7227786","43.367","0.006","43.367","0.006","28.09","0.005","90","","90","","120","","45751","12","194.98","0.1","194.98","0.1","","","","","","","","4","R 3 2 :H","R 3 2""","155","γ-cyclodextrin-metal-organic framework","catena-((μ8-γ-Cyclodextrin)-di-potassium dihydroxide)","","- C48 H82 K2 O42 -","- C48 H80 K2 O42 -","- C864 H1440 K36 O756 -","18","1","","Patyk-Kaźmierczak, Ewa; Warren, Mark R.; Allan, David R.; Katrusiak, Andrzej","Pressure inverse solubility and polymorphism of an edible γ-cyclodextrin-based metal-organic framework.","Physical chemistry chemical physics : PCCP","2017","19","13","9086","9091","10.1039/c7cp00593h","","x-ray","0.71073","MoKα","","0.1291","0.1122","","","0.2798","0.2938","","","","","","1.283","","","","has coordinates","204138","2020-10-21","18:00:00",""
"7227787","43.643","0.013","43.643","0.013","28.059","0.013","90","","90","","120","","46284","3","219.98","0.1","219.98","0.1","","","","","","","","4","R 3 2 :H","R 3 2""","155","γ-cyclodextrin-metal-organic framework","catena-((μ8-γ-Cyclodextrin)-di-potassium dihydroxide)","","- C48 H82 K2 O42 -","- C48 H80 K2 O42 -","- C864 H1440 K36 O756 -","18","1","","Patyk-Kaźmierczak, Ewa; Warren, Mark R.; Allan, David R.; Katrusiak, Andrzej","Pressure inverse solubility and polymorphism of an edible γ-cyclodextrin-based metal-organic framework.","Physical chemistry chemical physics : PCCP","2017","19","13","9086","9091","10.1039/c7cp00593h","","x-ray","0.71073","MoKα","","0.0949","0.074","","","0.1509","0.1618","","","","","","1.181","","","","has coordinates","204138","2020-10-21","18:00:00",""
"7227788","43.26","0.016","43.26","0.016","28.104","0.016","90","","90","","120","","45548","4","244.98","0.1","244.98","0.1","","","","","","","","4","R 3 2 :H","R 3 2""","155","γ-cyclodextrin-metal-organic framework","catena-((μ8-γ-Cyclodextrin)-di-potassium dihydroxide)","","- C48 H82 K2 O42 -","- C48 H80 K2 O42 -","- C864 H1440 K36 O756 -","18","1","","Patyk-Kaźmierczak, Ewa; Warren, Mark R.; Allan, David R.; Katrusiak, Andrzej","Pressure inverse solubility and polymorphism of an edible γ-cyclodextrin-based metal-organic framework.","Physical chemistry chemical physics : PCCP","2017","19","13","9086","9091","10.1039/c7cp00593h","","x-ray","0.71073","MoKα","","0.1079","0.0812","","","0.1846","0.2034","","","","","","0.995","","","","has coordinates","204138","2020-10-21","18:00:00",""
"7227789","31.2093","0.0016","31.2093","0.0016","31.2093","0.0016","90","","90","","90","","30398","3","269.99","0.1","269.99","0.1","","","","","","","","4","I 4 3 2","I 4 2 3","211","γ-cyclodextrin-metal-organic framework","catena-((μ8-γ-Cyclodextrin)-di-potassium dihydroxide)","","- C48 H82 K2 O42 -","- C48 H80 K2 O42 -","- C576 H960 K24 O504 -","12","0.25","","Patyk-Kaźmierczak, Ewa; Warren, Mark R.; Allan, David R.; Katrusiak, Andrzej","Pressure inverse solubility and polymorphism of an edible γ-cyclodextrin-based metal-organic framework.","Physical chemistry chemical physics : PCCP","2017","19","13","9086","9091","10.1039/c7cp00593h","","x-ray","0.71073","MoKα","","0.0652","0.0594","","","0.1473","0.1534","","","","","","1.086","","","","has coordinates","204138","2020-10-21","18:00:00",""
"7227790","31.2093","0.0007","31.2093","0.0007","31.2093","0.0007","90","","90","","90","","30398.5","1.2","295.01","0.1","295.01","0.1","","","","","","","","4","I 4 3 2","I 4 2 3","211","γ-cyclodextrin-metal-organic framework","catena-((μ8-γ-Cyclodextrin)-di-potassium dihydroxide)","","- C48 H82 K2 O42 -","- C48 H80 K2 O42 -","- C576 H960 K24 O504 -","12","0.25","","Patyk-Kaźmierczak, Ewa; Warren, Mark R.; Allan, David R.; Katrusiak, Andrzej","Pressure inverse solubility and polymorphism of an edible γ-cyclodextrin-based metal-organic framework.","Physical chemistry chemical physics : PCCP","2017","19","13","9086","9091","10.1039/c7cp00593h","","x-ray","0.71073","MoKα","","0.0522","0.0485","","","0.1296","0.1326","","","","","","1.092","","","","has coordinates","204138","2020-10-21","18:00:00",""
"7227791","10.0478","0.0003","10.3511","0.0003","14.6556","0.0005","90","","90","","90","","1524.27","0.08","200","2","200","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C8 H7 N O S -","- C8 H7 N O S -","- C64 H56 N8 O8 S8 -","8","1","","Huang, Chun-Hao; Wu, Pei-Jhen; Chung, Kun-You; Chen, Yi-An; Li, Elise Y.; Chou, Pi-Tai","Room-temperature phosphorescence from small organic systems containing a thiocarbonyl moiety.","Physical chemistry chemical physics : PCCP","2017","19","13","8896","8901","10.1039/c7cp00074j","","","0.71073","MoKα","","0.0346","0.0298","","","0.0794","0.0831","","","","","","1.06","","","","has coordinates","195187","2020-10-21","18:00:00",""
"7227792","6.9208","0.0003","7.5423","0.0004","8.8756","0.0005","85.0711","0.0017","82.0272","0.0016","89.0243","0.0017","457.11","0.04","150","2","150","2","","","","","","","","5","P -1","-P 1","2","","","","- C8 H6 Br N S2 -","- C8 H6 Br N S2 -","- C16 H12 Br2 N2 S4 -","2","1","","Huang, Chun-Hao; Wu, Pei-Jhen; Chung, Kun-You; Chen, Yi-An; Li, Elise Y.; Chou, Pi-Tai","Room-temperature phosphorescence from small organic systems containing a thiocarbonyl moiety.","Physical chemistry chemical physics : PCCP","2017","19","13","8896","8901","10.1039/c7cp00074j","","","0.71073","MoKα","","0.0257","0.0241","","","0.0682","0.0688","","","","","","1.057","","","","has coordinates","195187","2020-10-21","18:00:00",""
"7227793","7.025","0.0003","8.6002","0.0004","13.5237","0.0006","90","","100.788","0.0017","90","","802.61","0.06","200","2","200","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C8 H7 N S2 -","- C8 H7 N S2 -","- C32 H28 N4 S8 -","4","1","","Huang, Chun-Hao; Wu, Pei-Jhen; Chung, Kun-You; Chen, Yi-An; Li, Elise Y.; Chou, Pi-Tai","Room-temperature phosphorescence from small organic systems containing a thiocarbonyl moiety.","Physical chemistry chemical physics : PCCP","2017","19","13","8896","8901","10.1039/c7cp00074j","","","0.71073","MoKα","","0.039","0.0337","","","0.0807","0.0831","","","","","","1.102","","","","has coordinates","195187","2020-10-21","18:00:00",""
"7227794","7.3765","0.0002","18.9914","0.0007","7.7127","0.0003","90","","118.059","0.0013","90","","953.48","0.06","200","2","200","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C8 H6 I N S2 -","- C8 H6 I N S2 -","- C32 H24 I4 N4 S8 -","4","1","","Huang, Chun-Hao; Wu, Pei-Jhen; Chung, Kun-You; Chen, Yi-An; Li, Elise Y.; Chou, Pi-Tai","Room-temperature phosphorescence from small organic systems containing a thiocarbonyl moiety.","Physical chemistry chemical physics : PCCP","2017","19","13","8896","8901","10.1039/c7cp00074j","","","0.71073","MoKα","","0.0267","0.0208","","","0.0452","0.0468","","","","","","1.115","","","","has coordinates","195187","2020-10-21","18:00:00",""
"7227795","9.4916","0.0003","22.4131","0.0007","10.1084","0.0003","90","","102.5","0.001","90","","2099.45","0.11","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C14 H15 N3 O17 Tb2 -","- C14 H11 N3 O17 Tb2 -","- C56 H44 N12 O68 Tb8 -","4","1","","Zhang, Li-Yang; Lu, Li-Ping; Zhu, Miao-Li; Feng, Si-Si","Self-assembly of lanthanide(iii) coordination polymers from a bifunctional 2-(pyridin-2-yl)-1H-imidazole-4,5-dicarboxylate ligand with the assistance of oxalate: syntheses, structures, luminescence, and magnetic properties","CrystEngComm","2017","19","14","1953","","10.1039/C7CE00149E","","","0.71073","MoKα","","0.0247","0.0195","","","0.0424","0.0441","","","","","","1.048","","","","has coordinates","195035","2020-10-21","18:00:00",""
"7227796","9.428","0.0019","22.415","0.005","10.051","0.002","90","","102.12","0.03","90","","2076.7","0.8","100","2","100","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C14 H15 Dy2 N3 O17 -","- C14 H15 Dy2 N3 O17 -","- C56 H60 Dy8 N12 O68 -","4","1","","Zhang, Li-Yang; Lu, Li-Ping; Zhu, Miao-Li; Feng, Si-Si","Self-assembly of lanthanide(iii) coordination polymers from a bifunctional 2-(pyridin-2-yl)-1H-imidazole-4,5-dicarboxylate ligand with the assistance of oxalate: syntheses, structures, luminescence, and magnetic properties","CrystEngComm","2017","19","14","1953","","10.1039/C7CE00149E","","","0.72","synchrotron","","0.0248","0.023","","","0.0516","0.0525","","","","","","1.038","","","","has coordinates","195035","2020-10-21","18:00:00",""
"7227797","9.574","0.0019","22.547","0.005","10.122","0.002","90","","102.04","0.03","90","","2136.9","0.8","100","2","100","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C14 H15 Eu2 N3 O17 -","- C14 H15 Eu2 N3 O17 -","- C56 H60 Eu8 N12 O68 -","4","1","","Zhang, Li-Yang; Lu, Li-Ping; Zhu, Miao-Li; Feng, Si-Si","Self-assembly of lanthanide(iii) coordination polymers from a bifunctional 2-(pyridin-2-yl)-1H-imidazole-4,5-dicarboxylate ligand with the assistance of oxalate: syntheses, structures, luminescence, and magnetic properties","CrystEngComm","2017","19","14","1953","","10.1039/C7CE00149E","","","0.72","synchrotron","","0.0331","0.0293","","","0.0736","0.0754","","","","","","1.014","","","","has coordinates","195035","2020-10-21","18:00:00",""
"7227798","9.59","0.0019","22.621","0.005","10.129","0.002","90","","101.61","0.03","90","","2152.4","0.8","100","2","100","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C14 H14.75 N3 O17 Sm2 -","- C14 H11 N3 O16.87 Sm2 -","- C56 H44 N12 O67.48 Sm8 -","4","1","","Zhang, Li-Yang; Lu, Li-Ping; Zhu, Miao-Li; Feng, Si-Si","Self-assembly of lanthanide(iii) coordination polymers from a bifunctional 2-(pyridin-2-yl)-1H-imidazole-4,5-dicarboxylate ligand with the assistance of oxalate: syntheses, structures, luminescence, and magnetic properties","CrystEngComm","2017","19","14","1953","","10.1039/C7CE00149E","","","0.72","synchrotron","","0.025","0.0243","","","0.0563","0.0568","","","","","","1.042","","","","has coordinates","195035","2020-10-21","18:00:00",""
"7227799","9.5261","0.0007","22.4729","0.0016","10.1216","0.0007","90","","102.263","0.002","90","","2117.4","0.3","298","2","298","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C14 H15 Gd2 N3 O17 -","- C14 H15 Gd2 N3 O17 -","- C56 H60 Gd8 N12 O68 -","4","1","","Zhang, Li-Yang; Lu, Li-Ping; Zhu, Miao-Li; Feng, Si-Si","Self-assembly of lanthanide(iii) coordination polymers from a bifunctional 2-(pyridin-2-yl)-1H-imidazole-4,5-dicarboxylate ligand with the assistance of oxalate: syntheses, structures, luminescence, and magnetic properties","CrystEngComm","2017","19","14","1953","","10.1039/C7CE00149E","","","0.71073","MoKα","","0.031","0.022","","","0.0401","0.0427","","","","","","1.039","","","","has coordinates","195035","2020-10-21","18:00:00",""
"7227800","7.1614","0.0008","19.471","0.002","8.7123","0.0009","90","","92.426","0.002","90","","1213.8","0.2","298","2","298","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C11 H7 La N3 O7 -","- C11 H5 La N3 O7 -","- C44 H20 La4 N12 O28 -","4","1","","Zhang, Li-Yang; Lu, Li-Ping; Zhu, Miao-Li; Feng, Si-Si","Self-assembly of lanthanide(iii) coordination polymers from a bifunctional 2-(pyridin-2-yl)-1H-imidazole-4,5-dicarboxylate ligand with the assistance of oxalate: syntheses, structures, luminescence, and magnetic properties","CrystEngComm","2017","19","14","1953","","10.1039/C7CE00149E","","","0.71073","MoKα","","0.0328","0.0261","","","0.0487","0.0497","","","","","","1.67","","","","has coordinates","195035","2020-10-21","18:00:00",""
"7227801","9.612","0.0019","22.868","0.005","10.159","0.002","90","","101.07","0.03","90","","2191.5","0.8","100","2","100","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C14 H15 N3 O17 Pr2 -","- C14 H15 N3 O17 Pr2 -","- C56 H60 N12 O68 Pr8 -","4","1","","Zhang, Li-Yang; Lu, Li-Ping; Zhu, Miao-Li; Feng, Si-Si","Self-assembly of lanthanide(iii) coordination polymers from a bifunctional 2-(pyridin-2-yl)-1H-imidazole-4,5-dicarboxylate ligand with the assistance of oxalate: syntheses, structures, luminescence, and magnetic properties","CrystEngComm","2017","19","14","1953","","10.1039/C7CE00149E","","","0.72","synchrotron","","0.0206","0.0205","","","0.0554","0.0554","","","","","","1.15","","","","has coordinates","195035","2020-10-21","18:00:00",""
"7227802","9.594","0.0019","22.789","0.005","10.146","0.002","90","","101.32","0.03","90","","2175.1","0.8","100","2","100","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C14 H15 N3 Nd2 O17 -","- C14 H15 N3 Nd2 O17 -","- C56 H60 N12 Nd8 O68 -","4","1","","Zhang, Li-Yang; Lu, Li-Ping; Zhu, Miao-Li; Feng, Si-Si","Self-assembly of lanthanide(iii) coordination polymers from a bifunctional 2-(pyridin-2-yl)-1H-imidazole-4,5-dicarboxylate ligand with the assistance of oxalate: syntheses, structures, luminescence, and magnetic properties","CrystEngComm","2017","19","14","1953","","10.1039/C7CE00149E","","","0.72","synchrotron","","0.02","0.0187","","","0.0479","0.0486","","","","","","1.041","","","","has coordinates","195035","2020-10-21","18:00:00",""
"7227803","7.086","0.0014","19.48","0.004","8.677","0.0017","90","","92.55","0.03","90","","1196.5","0.4","100","2","100","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C11 H7 Ce N3 O7 -","- C11 H7 Ce N3 O7 -","- C44 H28 Ce4 N12 O28 -","4","1","","Zhang, Li-Yang; Lu, Li-Ping; Zhu, Miao-Li; Feng, Si-Si","Self-assembly of lanthanide(iii) coordination polymers from a bifunctional 2-(pyridin-2-yl)-1H-imidazole-4,5-dicarboxylate ligand with the assistance of oxalate: syntheses, structures, luminescence, and magnetic properties","CrystEngComm","2017","19","14","1953","","10.1039/C7CE00149E","","","0.7","synchrotron","","0.0303","0.028","","","0.076","0.078","","","","","","1.053","","","","has coordinates","195035","2020-10-21","18:00:00",""
"7227804","9.4056","0.0006","22.3152","0.0015","10.082","0.0007","90","","102.96","0.002","90","","2062.2","0.2","298","2","298","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C14 H15 Er2 N3 O17 -","- C14 H11 Er2 N3 O17 -","- C56 H44 Er8 N12 O68 -","4","1","","Zhang, Li-Yang; Lu, Li-Ping; Zhu, Miao-Li; Feng, Si-Si","Self-assembly of lanthanide(iii) coordination polymers from a bifunctional 2-(pyridin-2-yl)-1H-imidazole-4,5-dicarboxylate ligand with the assistance of oxalate: syntheses, structures, luminescence, and magnetic properties","CrystEngComm","2017","19","14","1953","","10.1039/C7CE00149E","","","0.71073","MoKα","","0.0328","0.0238","","","0.0507","0.0537","","","","","","1.056","","","","has coordinates","195035","2020-10-21","18:00:00",""
"7227805","9.4299","0.0003","22.3272","0.0008","10.0874","0.0004","90","","102.817","0.001","90","","2070.92","0.13","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C14 H15 Ho2 N3 O17 -","- C14 H11 Ho2 N3 O17 -","- C56 H44 Ho8 N12 O68 -","4","1","","Zhang, Li-Yang; Lu, Li-Ping; Zhu, Miao-Li; Feng, Si-Si","Self-assembly of lanthanide(iii) coordination polymers from a bifunctional 2-(pyridin-2-yl)-1H-imidazole-4,5-dicarboxylate ligand with the assistance of oxalate: syntheses, structures, luminescence, and magnetic properties","CrystEngComm","2017","19","14","1953","","10.1039/C7CE00149E","","","0.71073","MoKα","","0.0269","0.0209","","","0.0413","0.043","","","","","","1.057","","","","has coordinates","195035","2020-10-21","18:00:00",""
"7227806","7.5408","0.0003","11.7049","0.0005","15.9042","0.0006","90.095","0.002","102.741","0.002","106.596","0.002","1309.03","0.09","100","","100","","","","","","","","","5","P -1","-P 1","2","","","","- C16 H32 N4 O20 Zr -","- C16 H32 N4 O20 Zr -","- C32 H64 N8 O40 Zr2 -","2","1","","Hamdouni, Monia; Walha, Siwar; Duhayon, Carine; Kabadou, Ahlem; Sutter, Jean-Pascal","Hydrogen-bonded supramolecular architectures based on [Zr(C2O4)4]4− anion and protonated polyamine cations","CrystEngComm","2017","19","12","1633","","10.1039/C6CE02547A","","","0.71073","MoKα","","0.035","0.0331","","0.0383","0.0356","0.0351","","","","","","1.1011","","","","has coordinates","195046","2020-10-21","18:00:00",""
"7227807","7.0194","0.0004","17.8877","0.001","13.4593","0.0008","90","","90.3052","0.0016","90","","1689.94","0.17","100","","100","","","","","","","","","5","P 1 2/n 1","-P 2yac","13","","","","- C28 H32 N8 O18 Zr -","- C28 H32 N8 O18 Zr -","- C56 H64 N16 O36 Zr2 -","2","0.5","","Hamdouni, Monia; Walha, Siwar; Duhayon, Carine; Kabadou, Ahlem; Sutter, Jean-Pascal","Hydrogen-bonded supramolecular architectures based on [Zr(C2O4)4]4− anion and protonated polyamine cations","CrystEngComm","2017","19","12","1633","","10.1039/C6CE02547A","","","0.71073","MoKα","","0.02","0.0198","","0.0206","0.0202","0.0201","","","","","","1.063","","","","has coordinates","195046","2020-10-21","18:00:00",""
"7227808","15.078","0.005","20.979","0.005","8.776","0.005","90","","98.917","0.005","90","","2742.5","1.9","180","","180","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C20 H28 N4 O20 Zr -","- C20 H28 N4 O20 Zr -","- C80 H112 N16 O80 Zr4 -","4","1","","Hamdouni, Monia; Walha, Siwar; Duhayon, Carine; Kabadou, Ahlem; Sutter, Jean-Pascal","Hydrogen-bonded supramolecular architectures based on [Zr(C2O4)4]4− anion and protonated polyamine cations","CrystEngComm","2017","19","12","1633","","10.1039/C6CE02547A","","","0.71073","MoKα","","0.0842","0.0397","","0.0624","0.0315","0.0295","","","","","","1.1223","","","","has coordinates","195046","2020-10-21","18:00:00",""
"7227809","10.077","0.009","10.81","0.01","11.116","0.011","78.14","0.03","89.23","0.05","86.71","0.03","1183.1","1.9","100","","100","","","","","","","","","6","P -1","-P 1","2","","","","- C10 H20 N8 O18 S2 Zr -","- C10 H20 N8 O18 S2 Zr -","- C20 H40 N16 O36 S4 Zr2 -","2","1","","Hamdouni, Monia; Walha, Siwar; Duhayon, Carine; Kabadou, Ahlem; Sutter, Jean-Pascal","Hydrogen-bonded supramolecular architectures based on [Zr(C2O4)4]4− anion and protonated polyamine cations","CrystEngComm","2017","19","12","1633","","10.1039/C6CE02547A","","","0.71073","MoKα","","0.0566","0.0488","","0.0469","0.0409","0.0402","","","","","","0.8618","","","","has coordinates","195046","2020-10-21","18:00:00",""
"7227810","24.165","0.007","8.609","0.003","18.26","0.005","90","","92.647","0.007","90","","3795","2","296","2","296","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C35 H68 Au Cl N2 O -","- C35 H68 Au Cl N2 O -","- C140 H272 Au4 Cl4 N8 O4 -","4","1","","Syu, Herbert J. H.; Chiou, Josh Y. Z.; Wang, Ju-Chun; Lin, Ivan J. B.","Photoluminescence of self-assembled Ag(i) and Au(i) N-heterocyclic carbene complexes. Interplay the aurophilic, hydrogen bonding and hydrophobic interactions","RSC Adv.","2017","7","24","14611","","10.1039/C6RA28294F","","","0.71073","MoKα","","0.0998","0.0431","","","0.0962","0.123","","","","","","1.055","","","","has coordinates","194034","2020-10-21","18:00:00",""
"7227811","10.71","0.006","12.206","0.007","32.32","0.019","90.21","0.011","92.509","0.012","113.758","0.01","3862","4","296","2","296","2","","","","","","","","6","P -1","-P 1","2","","","","- C70 H136 Ag2 Cl2 N4 O2 -","- C70 H136 Ag2 Cl2 N4 O2 -","- C140 H272 Ag4 Cl4 N8 O4 -","2","1","","Syu, Herbert J. H.; Chiou, Josh Y. Z.; Wang, Ju-Chun; Lin, Ivan J. B.","Photoluminescence of self-assembled Ag(i) and Au(i) N-heterocyclic carbene complexes. Interplay the aurophilic, hydrogen bonding and hydrophobic interactions","RSC Adv.","2017","7","24","14611","","10.1039/C6RA28294F","","","0.71073","MoKα","","0.3441","0.0894","","","0.2044","0.3622","","","","","","0.918","","","","has coordinates","194034","2020-10-21","18:00:00",""
"7227812","6.7868","0.0014","20.823","0.004","7.4953","0.0015","90","","90","","90","","1059.2","0.4","293","2","293","2","","","","","","","","5","P n a 21","P 2c -2n","33","","","","- C6 H14 Cd Cl3 N -","- C6 H14 Cd Cl3 N -","- C24 H56 Cd4 Cl12 N4 -","4","1","","Lu, Yang; Wang, Zhongxia; Chen, Hai-Peng; Ge, Jia-Zhen","High temperature structural phase transition and dielectric relaxation in an organic‒inorganic hybrid compound: (4-methylpiperidinium)CdCl3","CrystEngComm","2017","19","14","1896","","10.1039/C7CE00053G","","","0.71073","MoKα","","0.0536","0.0476","","","0.0909","0.0932","","","","","","1.056","","","","has coordinates","195036","2020-10-21","18:00:00",""
"7227813","6.779","0.006","7.648","0.006","20.8582","0.0017","90","","90","","90","","1081.4","1.3","393","2","393","2","","","","","","","","5","P n m a","-P 2ac 2n","62","","","","- C12 H28 Cd2 Cl6 N2 -","- C12 H28 Cd2 Cl6 N2 -","- C24 H56 Cd4 Cl12 N4 -","2","0.25","","Lu, Yang; Wang, Zhongxia; Chen, Hai-Peng; Ge, Jia-Zhen","High temperature structural phase transition and dielectric relaxation in an organic‒inorganic hybrid compound: (4-methylpiperidinium)CdCl3","CrystEngComm","2017","19","14","1896","","10.1039/C7CE00053G","","","0.71073","MoKα","","0.1718","0.1328","","","0.1772","0.1945","","","","","","1.319","","","","has coordinates,has disorder","195036","2020-10-21","18:00:00",""
"7227814","14.6554","0.0005","6.00711","0.00018","17.9996","0.0005","90","","90.1994","0.0014","90","","1584.61","0.08","296","","296","","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C34 H24 Cl4 N6 -","- C34 H24 Cl4 N6 -","- C68 H48 Cl8 N12 -","2","0.5","","Akune, Yoko; Hirosawa, Risa; Endo, Natsuko; Hatano, Sayumi; Hosokai, Takuya; Sato, Hiroyasu; Matsumoto, Shinya","Tuning of fluorescence efficiency via local modification of the crystal structure by benzyl groups in polymorphs of a pyrazine dye","CrystEngComm","2017","19","14","1947","","10.1039/C7CE00164A","","","1.54187","CuKα","","","0.0762","","","","0.2408","","","","","","1.606","","","","has coordinates","195031","2020-10-21","18:00:00",""
"7227815","4.70709","0.00016","26.1213","0.0012","12.1528","0.0005","90","","93.267","0.003","90","","1491.82","0.11","93","","93","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C34 H24 Cl4 N6 -","- C34 H24 Cl4 N6 -","- C68 H48 Cl8 N12 -","2","0.5","","Akune, Yoko; Hirosawa, Risa; Endo, Natsuko; Hatano, Sayumi; Hosokai, Takuya; Sato, Hiroyasu; Matsumoto, Shinya","Tuning of fluorescence efficiency via local modification of the crystal structure by benzyl groups in polymorphs of a pyrazine dye","CrystEngComm","2017","19","14","1947","","10.1039/C7CE00164A","","","1.54187","CuKα","","0.0667","0.0567","","","0.1651","0.1793","","","","","","1.096","","","","has coordinates","195031","2020-10-21","18:00:00",""
"7227816","9.3812","0.0002","12.9376","0.0003","18.1801","0.0004","90","","90","","90","","2206.52","0.08","150","2","150","2","","","","","","","","5","P n m a","-P 2ac 2n","62","","","","- C15 H19 Cu2 N9 O9 -","- C15 H19 Cu2 N9 O9 -","- C60 H76 Cu8 N36 O36 -","4","0.5","","Bovill, Sally M.; Dixey, Richard J. C.; Saines, Paul J.","Three coordination frameworks with copper formate based low dimensional motifs: synthesis, structure and magnetic properties","CrystEngComm","2017","19","13","1831","","10.1039/C6CE01601D","","","0.71073","MoKα","","0.1005","0.0718","","","0.2031","0.2334","","","","","","1.16","","","","has coordinates","195024","2020-10-21","18:00:00",""
"7227817","7.1767","0.0003","7.3661","0.0004","12.3418","0.0007","90","","90","","90","","652.44","0.06","150","2","150","2","","","","","","","","5","P m n b","-P 2bc 2a","62","","","","- C H7 Cu N3 O5 -","- C H7 Cu N3 O5 -","- C4 H28 Cu4 N12 O20 -","4","0.5","","Bovill, Sally M.; Dixey, Richard J. C.; Saines, Paul J.","Three coordination frameworks with copper formate based low dimensional motifs: synthesis, structure and magnetic properties","CrystEngComm","2017","19","13","1831","","10.1039/C6CE01601D","","","0.71073","MoKα","","0.0734","0.0496","","","0.1366","0.1872","","","","","","1.205","","","","has coordinates","195024","2020-10-21","18:00:00",""
"7227818","7.4087","0.0006","7.8568","0.0007","12.3745","0.001","90","","90","","90","","720.3","0.1","150","2","150","2","","","","","","","","6","P n m a","-P 2ac 2n","62","","","","- C H7 Cl Cu N2 O6 -","- C H7 Cl Cu N2 O6 -","- C4 H28 Cl4 Cu4 N8 O24 -","4","0.5","","Bovill, Sally M.; Dixey, Richard J. C.; Saines, Paul J.","Three coordination frameworks with copper formate based low dimensional motifs: synthesis, structure and magnetic properties","CrystEngComm","2017","19","13","1831","","10.1039/C6CE01601D","","","0.71073","MoKα","","0.0969","0.0534","","","0.1266","0.214","","","","","","1.177","","","","has coordinates","195024","2020-10-21","18:00:00",""
"7227819","12.5284","0.0006","6.3807","0.0002","20.8145","0.0008","90","","105.488","0.004","90","","1603.49","0.11","293","2","293","2","","","","","","","synthesis as described","6","P 1 21/n 1","-P 2yn","14","","","","- C12 H12 Cl2 N2 Na O5 -","- C12 H12 Cl2 N2 Na O5 -","- C48 H48 Cl8 N8 Na4 O20 -","4","1","","Molčanov, Krešimir; Kojić-Prodić, Biserka","Spin pairing, electrostatic and dipolar interactions influence stacking of radical anions in alkali salts of 4,5-dichloro-3,6-dioxocyclohexa-1,4-diene-1,2-dicarbonitrile (DDQ)","CrystEngComm","2017","19","13","1801","","10.1039/C7CE00261K","","x-ray","1.54184","CuKα","","0.0741","0.0676","","","0.1792","0.1884","","","","","","1.091","","","","has coordinates","195028","2020-10-21","18:00:00",""
"7227820","7.8772","0.0008","7.9735","0.0008","10.4011","0.0008","94.304","0.007","106.276","0.008","109.851","0.009","579.26","0.11","120","2","120","2","","","","","","","","6","P -1","-P 1","2","","","","- C8 H6 Cl2 Li N2 O5 -","- C8 H6 Cl2 Li N2 O5 -","- C16 H12 Cl4 Li2 N4 O10 -","2","1","","Molčanov, Krešimir; Kojić-Prodić, Biserka","Spin pairing, electrostatic and dipolar interactions influence stacking of radical anions in alkali salts of 4,5-dichloro-3,6-dioxocyclohexa-1,4-diene-1,2-dicarbonitrile (DDQ)","CrystEngComm","2017","19","13","1801","","10.1039/C7CE00261K","","x-ray","1.54184","CuKα","","","0.0321","","","","0.0912","","","","","","1.079","","","","has coordinates","195028","2020-10-21","18:00:00",""
"7227821","6.108","0.0003","10.6399","0.0005","12.546","0.0007","109.248","0.004","92.148","0.004","90.445","0.004","769.05","0.07","100","2","100","2","","","","","","","synthesis as described","6","P -1","-P 1","2","","","","- C12 H10 Cl2 Cs N2 O4 -","- C12 H10 Cl2 Cs N2 O4 -","- C24 H20 Cl4 Cs2 N4 O8 -","2","1","","Molčanov, Krešimir; Kojić-Prodić, Biserka","Spin pairing, electrostatic and dipolar interactions influence stacking of radical anions in alkali salts of 4,5-dichloro-3,6-dioxocyclohexa-1,4-diene-1,2-dicarbonitrile (DDQ)","CrystEngComm","2017","19","13","1801","","10.1039/C7CE00261K","","x-ray","1.54179","CuKα","","0.047","0.0432","","","0.1111","0.1153","","","","","","1.071","","","","has coordinates","195028","2020-10-21","18:00:00",""
"7227822","13.2615","0.0003","18.7662","0.0003","16.7948","0.0002","90","","90","","90","","4179.69","0.13","293","2","293","2","","","","","","","synthesis as described","5","P b c 21","P 2c -2b","29","","","","- C32 Cl8 Cs4 N8 O9 -","- C32 Cl8 Cs4 N8 O9 -","- C128 Cl32 Cs16 N32 O36 -","4","1","","Molčanov, Krešimir; Kojić-Prodić, Biserka","Spin pairing, electrostatic and dipolar interactions influence stacking of radical anions in alkali salts of 4,5-dichloro-3,6-dioxocyclohexa-1,4-diene-1,2-dicarbonitrile (DDQ)","CrystEngComm","2017","19","13","1801","","10.1039/C7CE00261K","","x-ray","1.54179","CuKα","","0.0517","0.0506","","","0.1296","0.1314","","","","","","1.018","","","","has coordinates","195028","2020-10-21","18:00:00",""
"7227823","16.044","0.005","16.044","0.005","3.555","0.005","90","0.005","90","0.005","120","0.005","792.5","1.2","293","2","293","2","","","","","","","synthesis as described","6","P 3 1 m","P 3 -2","157","","","","- C8 H2 Cl2 K N2 O3 -","- C8 H2 Cl2 K N2 O3 -","- C24 H6 Cl6 K3 N6 O9 -","3","0.5","","Molčanov, Krešimir; Kojić-Prodić, Biserka","Spin pairing, electrostatic and dipolar interactions influence stacking of radical anions in alkali salts of 4,5-dichloro-3,6-dioxocyclohexa-1,4-diene-1,2-dicarbonitrile (DDQ)","CrystEngComm","2017","19","13","1801","","10.1039/C7CE00261K","","x-ray","1.54179","CuKα","","0.0624","0.0608","","","0.165","0.1671","","","","","","1.126","","","","has coordinates","195028","2020-10-21","18:00:00",""
"7227824","7.975","0.0012","8.0294","0.0013","10.4361","0.0014","94.183","0.012","106.05","0.013","110.302","0.014","591.66","0.17","293","2","293","2","","","","","","","","6","P -1","-P 1","2","","","","- C8 H6 Cl2 Li N2 O5 -","- C8 H6 Cl2 Li N2 O5 -","- C16 H12 Cl4 Li2 N4 O10 -","2","1","","Molčanov, Krešimir; Kojić-Prodić, Biserka","Spin pairing, electrostatic and dipolar interactions influence stacking of radical anions in alkali salts of 4,5-dichloro-3,6-dioxocyclohexa-1,4-diene-1,2-dicarbonitrile (DDQ)","CrystEngComm","2017","19","13","1801","","10.1039/C7CE00261K","","x-ray","1.54184","CuKα","","","0.0581","","","","0.1705","","","","","","1.068","","","","has coordinates","195028","2020-10-21","18:00:00",""
"7227825","20.039","0.003","17.152","0.003","14.09","0.003","90","","99.843","0.008","90","","4771.6","1.5","296","2","296","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C20 H58 Mo7 N8 O39 -","- C20 H28 Mo7 N8 O39 -","- C80 H112 Mo28 N32 O156 -","4","0.5","","Jassal, Amanpreet Kaur; Rana, Love Karan; Hundal, Geeta","Structure directing role of amines and water molecules in the self-assembly of polyoxomolybdates","CrystEngComm","2017","19","15","2021","","10.1039/C6CE02640K","","","0.71073","MoKα","","0.1319","0.0884","","","0.2303","0.2691","","","","","","1.112","","","","has coordinates,has disorder","196388","2020-10-21","18:00:00",""
"7227826","11.3855","0.0009","11.3943","0.0009","16.1815","0.0012","77.32","0.003","73.592","0.003","64.011","0.003","1798.9","0.2","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","","","- C8 H42 Mo7 N3 O33.5 -","- C8 H18 Mo7 N3 O33.5 -","- C16 H36 Mo14 N6 O67 -","2","1","","Jassal, Amanpreet Kaur; Rana, Love Karan; Hundal, Geeta","Structure directing role of amines and water molecules in the self-assembly of polyoxomolybdates","CrystEngComm","2017","19","15","2021","","10.1039/C6CE02640K","","","0.71073","MoKα","","0.0873","0.0793","","","0.2066","0.2117","","","","","","1.176","","","","has coordinates","276339","2022-06-28","15:56:57",""
"7227827","29.144","0.0011","29.144","0.0012","12.032","0.0004","90","","90","","120","","8850.5","0.6","100","2","100","2","","","","","","","","5","R -3 :H","-R 3","148","","","","- C16 H46 Mo8 N2 O28 -","- C16 H46 Mo8 N2 O28 -","- C144 H414 Mo72 N18 O252 -","9","0.5","","Jassal, Amanpreet Kaur; Rana, Love Karan; Hundal, Geeta","Structure directing role of amines and water molecules in the self-assembly of polyoxomolybdates","CrystEngComm","2017","19","15","2021","","10.1039/C6CE02640K","","","0.71073","MoKα","","0.0324","0.0246","","","0.0544","0.0578","","","","","","1.035","","","","has coordinates","276339","2022-06-28","15:56:57",""
"7227828","8.8713","0.0012","10.8897","0.0015","21.328","0.003","98.581","0.005","95.318","0.005","99.992","0.005","1991.5","0.5","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","","","- C12 H54 Mo7 N8 O30 -","- C12 H54 Mo7 N8 O30 -","- C24 H108 Mo14 N16 O60 -","2","1","","Jassal, Amanpreet Kaur; Rana, Love Karan; Hundal, Geeta","Structure directing role of amines and water molecules in the self-assembly of polyoxomolybdates","CrystEngComm","2017","19","15","2021","","10.1039/C6CE02640K","","","0.71073","MoKα","","0.0204","0.0192","","","0.0475","0.0482","","","","","","0.989","","","","has coordinates","276339","2022-06-28","15:56:58",""
"7227829","27.592","0.0009","20.794","0.0006","16.12","0.0005","90","","90","","90","","9248.8","0.5","100","2","100","2","","","","","","","","5","P c a 21","P 2c -2ac","29","","","","- C18 H53 Mo7 N6 O35.5 -","- C18 H26 Mo7 N6 O35.5 -","- C144 H208 Mo56 N48 O284 -","8","2","","Jassal, Amanpreet Kaur; Rana, Love Karan; Hundal, Geeta","Structure directing role of amines and water molecules in the self-assembly of polyoxomolybdates","CrystEngComm","2017","19","15","2021","","10.1039/C6CE02640K","","","0.71073","MoKα","","0.051","0.0434","","","0.1053","0.11","","","","","","1.055","","","","has coordinates","276339","2022-06-28","15:56:58",""
"7227830","28.887","0.002","12.1278","0.0009","21.5485","0.0016","90","","108.698","0.003","90","","7150.8","0.9","296","2","296","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C4 H44 Mo7 N O37.5 -","- C4 H39 Mo7 N O37.5 -","- C32 H312 Mo56 N8 O300 -","8","1","","Jassal, Amanpreet Kaur; Rana, Love Karan; Hundal, Geeta","Structure directing role of amines and water molecules in the self-assembly of polyoxomolybdates","CrystEngComm","2017","19","15","2021","","10.1039/C6CE02640K","","","0.71073","MoKα","","0.041","0.0325","","","0.0856","0.0936","","","","","","0.959","","","","has coordinates","276339","2022-06-28","15:56:58",""
"7227831","10.2857","0.0002","22.5658","0.0004","7.71479","0.00014","90","","97.8249","0.0018","90","","1773.97","0.06","123.01","0.1","123.01","0.1","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","methyl (2S*,3R*)-3-(2-ethoxy-2-oxoethyl)-2-(o-tolyl)indoline-1-carboxylate","","- C21 H23 N O4 -","- C21 H23 N O4 -","- C84 H92 N4 O16 -","4","1","","Pagire, Santosh K.; Reiser, Oliver","Tandem cyclisation of vinyl radicals: a sustainable approach to indolines utilizing visible-light photoredox catalysis","Green Chem.","2017","19","7","1721","","10.1039/C7GC00445A","","x-ray","1.54184","CuKα","","0.0487","0.0422","","","0.1101","0.1167","","","","","","1.034","","","","has coordinates,has disorder","195142","2020-10-21","18:00:00",""
"7227832","10.5987","0.0003","12.0841","0.0003","18.4864","0.0005","98.172","0.002","99.125","0.002","99.657","0.002","2269.67","0.11","150","0.1","150","0.1","","","","","","","","5","P -1","-P 1","2","(Dipp-BIANMe)FeCl2","","","- C57 H50 Cl2 Fe N2 -","- C57 H50 Cl2 Fe N2 -","- C114 H100 Cl4 Fe2 N4 -","2","1","","Yu, Xun; Zhu, Feifeng; Bu, Donglei; Lei, Hao","Ferrous complexes supported by sterically encumbered asymmetric bis(arylimino)acenaphthene (BIAN) ligands: synthesis, characterization and screening for catalytic hydrosilylation of carbonyl compounds","RSC Adv.","2017","7","25","15321","","10.1039/C7RA01511A","","x-ray","1.54184","CuKα","","0.0437","0.0394","","","0.1001","0.1041","","","","","","1.023","","","","has coordinates","194154","2020-10-21","18:00:00",""
"7227833","10.383","0.00014","21.4869","0.0004","25.4145","0.0003","90","","90","","90","","5669.94","0.15","93","","93","","","","","","","","","7","P 21 21 21","P 2ac 2ab","19","(Dipp-BIANF)FeCl2","","","- C68 H71 Cl2 F Fe N2 O3 -","- C68 H71 Cl2 F Fe N2 O3 -","- C272 H284 Cl8 F4 Fe4 N8 O12 -","4","1","","Yu, Xun; Zhu, Feifeng; Bu, Donglei; Lei, Hao","Ferrous complexes supported by sterically encumbered asymmetric bis(arylimino)acenaphthene (BIAN) ligands: synthesis, characterization and screening for catalytic hydrosilylation of carbonyl compounds","RSC Adv.","2017","7","25","15321","","10.1039/C7RA01511A","","x-ray","1.54184","CuKα","","0.0378","0.0361","","","0.0959","0.0972","","","","","","1.026","","","","has coordinates,has disorder","194154","2020-10-21","18:00:00",""
"7227834","19.01587","0.00018","14.80189","0.00015","16.80964","0.00017","90","","103.52","0.001","90","","4600.3","0.08","150","0.1","150","0.1","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","(Mes-BIANCl)FeCl2","","","- C57 H49 Cl3 Fe N2 O -","- C57 H49 Cl3 Fe N2 O -","- C228 H196 Cl12 Fe4 N8 O4 -","4","1","","Yu, Xun; Zhu, Feifeng; Bu, Donglei; Lei, Hao","Ferrous complexes supported by sterically encumbered asymmetric bis(arylimino)acenaphthene (BIAN) ligands: synthesis, characterization and screening for catalytic hydrosilylation of carbonyl compounds","RSC Adv.","2017","7","25","15321","","10.1039/C7RA01511A","","x-ray","1.54184","CuKα","","0.0804","0.0771","","","0.1957","0.2012","","","","","","1.084","","","","has coordinates","194154","2020-10-21","18:00:00",""
"7227835","13.87969","0.00013","16.89054","0.00015","18.35276","0.00016","90","","103.305","0.0009","90","","4187.06","0.07","150","0.1","150","0.1","","","","","","","","6","P 1 21/n 1","-P 2yn","14","(Mes-BIANF)FeCl2","","","- C53 H41 Cl2 F Fe N2 -","- C53 H41 Cl2 F Fe N2 -","- C212 H164 Cl8 F4 Fe4 N8 -","4","1","","Yu, Xun; Zhu, Feifeng; Bu, Donglei; Lei, Hao","Ferrous complexes supported by sterically encumbered asymmetric bis(arylimino)acenaphthene (BIAN) ligands: synthesis, characterization and screening for catalytic hydrosilylation of carbonyl compounds","RSC Adv.","2017","7","25","15321","","10.1039/C7RA01511A","","x-ray","1.54184","CuKα","","0.0423","0.0396","","","0.1048","0.1071","","","","","","1.03","","","","has coordinates","194154","2020-10-21","18:00:00",""
"7227836","19.7651","0.0004","14.8041","0.0003","34.06","0.0007","90","","102.115","0.002","90","","9744.1","0.4","150","0.1","150","0.1","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","(Mes-BIANMe)FeCl2","","","- C112 H96 Cl4 Fe2 N4 O -","- C112 H96 Cl4 Fe2 N4 O -","- C448 H384 Cl16 Fe8 N16 O4 -","4","1","","Yu, Xun; Zhu, Feifeng; Bu, Donglei; Lei, Hao","Ferrous complexes supported by sterically encumbered asymmetric bis(arylimino)acenaphthene (BIAN) ligands: synthesis, characterization and screening for catalytic hydrosilylation of carbonyl compounds","RSC Adv.","2017","7","25","15321","","10.1039/C7RA01511A","","x-ray","0.71073","MoKα","","0.1033","0.0646","","","0.1594","0.1803","","","","","","1.033","","","","has coordinates,has disorder","194154","2020-10-21","18:00:00",""
"7227837","10.51517","0.00014","18.6075","0.0003","26.0044","0.0003","90","","96.4438","0.0011","90","","5055.9","0.12","93","","93","","","","","","","","","6","P 1 21/n 1","-P 2yn","14","(Dipp-BIANCl)FeCl2","","","- C60 H55 Cl3 Fe N2 O -","- C60 H55 Cl3 Fe N2 O -","- C240 H220 Cl12 Fe4 N8 O4 -","4","1","","Yu, Xun; Zhu, Feifeng; Bu, Donglei; Lei, Hao","Ferrous complexes supported by sterically encumbered asymmetric bis(arylimino)acenaphthene (BIAN) ligands: synthesis, characterization and screening for catalytic hydrosilylation of carbonyl compounds","RSC Adv.","2017","7","25","15321","","10.1039/C7RA01511A","","x-ray","1.54184","CuKα","","0.0519","0.0439","","","0.1232","0.1284","","","","","","1.124","","","","has coordinates","194154","2020-10-21","18:00:00",""
"7227838","6.036","0.0007","10.7787","0.0008","10.9735","0.001","90","","94.546","0.01","90","","711.69","0.12","213","2","213","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","1,4-Dinitro-1,3-pentadiene","","- C5 H6 N2 O4 -","- C5 H6 N2 O4 -","- C20 H24 N8 O16 -","4","1","","Bauzá, Antonio; Sharko, Anastasiya V.; Senchyk, Ganna A.; Rusanov, Eduard B.; Frontera, Antonio; Domasevitch, Kostiantyn V.","π–hole interactions at work: crystal engineering with nitro-derivatives","CrystEngComm","2017","19","14","1933","","10.1039/C7CE00267J","","","0.71073","MoKα","","0.047","0.0357","","","0.0953","0.0983","","","","","","0.955","","","","has coordinates","288505","2023-12-22","15:12:04",""
"7227839","8.3219","0.0007","5.2142","0.0004","12.3799","0.0013","90","","90.819","0.012","90","","537.13","0.08","213","2","213","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","1,4-Dinitro-1,3-butadiene 1,4-Dioxane (1/1) solvate","","- C8 H12 N2 O6 -","- C8 H12 N2 O6 -","- C16 H24 N4 O12 -","2","0.5","","Bauzá, Antonio; Sharko, Anastasiya V.; Senchyk, Ganna A.; Rusanov, Eduard B.; Frontera, Antonio; Domasevitch, Kostiantyn V.","π–hole interactions at work: crystal engineering with nitro-derivatives","CrystEngComm","2017","19","14","1933","","10.1039/C7CE00267J","","","0.71073","MoKα","","0.0383","0.0301","","","0.0827","0.086","","","","","","1.038","","","","has coordinates","288505","2023-12-22","15:12:04",""
"7227840","5.4312","0.0008","6.1004","0.001","12.3902","0.0013","90","","101.006","0.005","90","","402.97","0.1","296","2","296","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","2,4-Dinitro-2,4-hexadiene","","- C6 H8 N2 O4 -","- C6 H8 N2 O4 -","- C12 H16 N4 O8 -","2","0.5","","Bauzá, Antonio; Sharko, Anastasiya V.; Senchyk, Ganna A.; Rusanov, Eduard B.; Frontera, Antonio; Domasevitch, Kostiantyn V.","π–hole interactions at work: crystal engineering with nitro-derivatives","CrystEngComm","2017","19","14","1933","","10.1039/C7CE00267J","","","0.71073","MoKα","","0.0783","0.0422","","","0.0991","0.1174","","","","","","1.042","","","","has coordinates","288505","2023-12-22","15:12:04",""
"7227841","3.8306","0.0003","10.3433","0.0006","7.9532","0.0006","90","","102.516","0.006","90","","307.63","0.04","296","2","296","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","1,4-Dinitro-1,3-butadiene","","- C4 H4 N2 O4 -","- C4 H4 N2 O4 -","- C8 H8 N4 O8 -","2","0.5","","Bauzá, Antonio; Sharko, Anastasiya V.; Senchyk, Ganna A.; Rusanov, Eduard B.; Frontera, Antonio; Domasevitch, Kostiantyn V.","π–hole interactions at work: crystal engineering with nitro-derivatives","CrystEngComm","2017","19","14","1933","","10.1039/C7CE00267J","","","0.71073","MoKα","","0.0585","0.0356","","","0.0881","0.1023","","","","","","1.063","","","","has coordinates","288505","2023-12-22","15:12:04",""
"7227842","8.4983","0.0005","8.3756","0.0005","10.7054","0.0007","90","","106.311","0.006","90","","731.32","0.08","295.35","0.1","295.35","0.1","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C16 H24 Cl N2 O -","- C16 H24 Cl N2 O -","- C32 H48 Cl2 N4 O2 -","2","1","","Huang, Jiu-Lin; Lv, Min; Xu, Hui","Semisynthesis of some matrine ether derivatives as insecticidal agents","RSC Adv.","2017","7","26","15997","","10.1039/C7RA00954B","","x-ray","0.71073","MoKα","","0.0617","0.0492","","","0.1163","0.1326","","","","","","1.033","","","","has coordinates","194224","2020-10-21","18:00:00",""
"7227843","8.8606","0.0007","9.866","0.0006","12.1556","0.0016","90","","108.727","0.011","90","","1006.37","0.18","293","2","293","","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C22 H27 N3 O4 -","- C22 H27 N3 O4 -","- C44 H54 N6 O8 -","2","1","","Huang, Jiu-Lin; Lv, Min; Xu, Hui","Semisynthesis of some matrine ether derivatives as insecticidal agents","RSC Adv.","2017","7","26","15997","","10.1039/C7RA00954B","","x-ray","0.71073","MoKα","","0.1178","0.0596","","","0.0975","0.1256","","","","","","1.077","","","","has coordinates","194224","2020-10-21","18:00:00",""
"7227844","10.5122","0.0005","9.5461","0.0004","13.519","0.0006","90","","99.723","0.004","90","","1337.15","0.1","293","2","293","","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C30 H38 N2 O3 -","- C30 H38 N2 O3 -","- C60 H76 N4 O6 -","2","1","","Huang, Jiu-Lin; Lv, Min; Xu, Hui","Semisynthesis of some matrine ether derivatives as insecticidal agents","RSC Adv.","2017","7","26","15997","","10.1039/C7RA00954B","","x-ray","0.71073","MoKα","","0.0911","0.0608","","","0.1236","0.1447","","","","","","1.041","","","","has coordinates","194224","2020-10-21","18:00:00",""
"7227845","6.1435","0.0005","17.5376","0.0012","18.541","0.0014","90","","90","","90","","1997.6","0.3","294.05","0.1","294.05","0.1","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C22 H27 Cl N2 O2 -","- C22 H27 Cl N2 O2 -","- C88 H108 Cl4 N8 O8 -","4","1","","Huang, Jiu-Lin; Lv, Min; Xu, Hui","Semisynthesis of some matrine ether derivatives as insecticidal agents","RSC Adv.","2017","7","26","15997","","10.1039/C7RA00954B","","x-ray","0.71073","MoKα","","0.157","0.0677","","","0.1113","0.1654","","","","","","1.052","","","","has coordinates","194224","2020-10-21","18:00:00",""
"7227846","16.0604","0.0004","16.0604","0.0004","44.117","0.0011","90","","90","","90","","11379.4","0.5","293","2","293","2","","","","","","","","5","P 42 21 2","P 4n 2n","94","NTU-141","T41b","","- C61 H40 Cu2 N12 O10 -","- C61 H40 Cu2 N12 O10 -","- C244 H160 Cu8 N48 O40 -","4","0.5","","Li, Pei-Zhou; Wang, Xiao-Jun; Liu, Jia; Liang, Jie; Chen, Jie Yi Jalyn; Zhao, Yanli","Two Metal-Organic Frameworks Sharing Same Basic Framework Show Distinct Interpenetration Degrees and Different Performance on CO2 Catalytic Conversion","CrystEngComm","2017","","","","","10.1039/C7CE00100B","","","1.54184","CuKα","","0.1029","0.0627","","","0.1698","0.1917","","","","","","0.87","","","","has coordinates","194243","2020-10-21","18:00:00",""
"7227847","22.805","0.0005","22.805","0.0005","44.0727","0.0012","90","","90","","90","","22920.8","0.9","293","2","293","2","","","","","","","","5","P 42 21 2","P 4n 2n","94","NTU-140","T41a","","- C61 H40 Cu2 N12 O10 -","- C61 H40 Cu2 N12 O10 -","- C244 H160 Cu8 N48 O40 -","4","0.5","","Li, Pei-Zhou; Wang, Xiao-Jun; Liu, Jia; Liang, Jie; Chen, Jie Yi Jalyn; Zhao, Yanli","Two Metal-Organic Frameworks Sharing Same Basic Framework Show Distinct Interpenetration Degrees and Different Performance on CO2 Catalytic Conversion","CrystEngComm","2017","","","","","10.1039/C7CE00100B","","","1.54184","CuKα","","0.1627","0.0697","","","0.1125","0.137","","","","","","0.804","","","","has coordinates","194243","2020-10-21","18:00:00",""
"7227848","11.1395","0.0019","21.597","0.004","24.323","0.004","92.569","0.003","98.988","0.003","90.655","0.003","5773","1.7","213","2","213","2","","","","","","","","6","P -1","-P 1","2","","","","- C86 H144 Br2 N2 O28 Si16 -","- C86 H144 Br2 N2 O28 Si16 -","- C172 H288 Br4 N4 O56 Si32 -","2","1","","Shao, Yu; Zhang, Xinlin; Liang, Kai; Wang, Jing; Lin, Yuejian; Yang, Shuguang; Zhang, Wen-Bin; Zhu, Meifang; Sun, Bin","How does the interplay between bromine substitution at bay area and bulky substituents at imide position influence the photophysical properties of perylene diimides?","RSC Adv.","2017","7","26","16155","","10.1039/C7RA00779E","","","0.71073","MoKα","","0.1705","0.0902","","","0.2464","0.2991","","","","","","0.946","","","","has coordinates","194248","2020-10-21","18:00:00",""
"7227849","13.794","0.002","12.924","0.002","14.1348","0.0015","90","","114.513","0.007","90","","2292.7","0.6","95","0.5","95","0.5","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C16 H26 Cl2 N2 O9 Ru S2 -","- C16 H22 Cl2 N2 O9 Ru S2 -","- C64 H88 Cl8 N8 O36 Ru4 S8 -","4","1","","Kamatchi, Thangavel Sathiya; Chitrapriya, Nataraj; Ashok Kumar, Sarvana Loganthan; Jung, Jang Yoon; Puschmann, Horst; Fronczek, Frank R.; Natarajan, Karuppannan","The effect of incorporating carboxylic acid functionalities into 2,2′-bipyridine on the biological activity of the complexes formed: synthesis, structure, DNA/protein interaction, antioxidant activity and cytotoxicity","RSC Adv.","2017","7","27","16428","","10.1039/C7RA00425G","","","0.71073","MoKα","","0.0633","0.0479","","","0.1064","0.1151","","","","","","1.013","","","","has coordinates","194249","2020-10-21","18:00:00",""
"7227850","27.7264","0.0007","7.7631","0.0003","16.5025","0.0007","90","","90","","90","","3552","0.2","120","","393.15","","","","","","","","","7","P c a 21","P 2c -2ac","29","","","","- C14 H20 Cl2 N2 O2 Ru S2 -","- C14 H20 Cl2 N2 O2 Ru S2 -","- C112 H160 Cl16 N16 O16 Ru8 S16 -","8","2","","Kamatchi, Thangavel Sathiya; Chitrapriya, Nataraj; Ashok Kumar, Sarvana Loganthan; Jung, Jang Yoon; Puschmann, Horst; Fronczek, Frank R.; Natarajan, Karuppannan","The effect of incorporating carboxylic acid functionalities into 2,2′-bipyridine on the biological activity of the complexes formed: synthesis, structure, DNA/protein interaction, antioxidant activity and cytotoxicity","RSC Adv.","2017","7","27","16428","","10.1039/C7RA00425G","","","0.7107","MoKα","","0.0324","0.0314","","","0.0736","0.0743","","","","","","1.135","","","","has coordinates","198633","2020-10-21","18:00:00",""
"7227851","22.089","0.013","6.142","0.004","13.906","0.009","90","","125.968","0.009","90","","1526.9","1.7","296","2","296","2","","","","","","","","5","C 1 2 1","C 2y","5","","","","- C28 H26 Co2 N6 O11 -","- C28 H26 Co2 N6 O11 -","- C56 H52 Co4 N12 O22 -","2","0.5","","Yu, Fan; Xiong, Xin; Huang, Kexing; Zhou, Yinliu; Li, Bao","2D Co-based coordination polymer with a histidine derivative as an efficient heterogeneous catalyst for the oxidation of cyclohexene","CrystEngComm","2017","19","15","2126","","10.1039/C7CE00349H","","","0.71073","MoKα","","0.0715","0.0606","","","0.1639","0.1796","","","","","","1.198","","","","has coordinates","196387","2020-10-21","18:00:00",""
"7227852","22.4588","0.0011","6.1786","0.0004","14.1282","0.0007","90","","127.551","0.004","90","","1554.29","0.17","293","2","296","2","","","","","","","","5","C 1 2 1","C 2y","5","","","","- C28 H24 Mn2 N6 O11 -","- C28 H24 Mn2 N6 O11 -","- C56 H48 Mn4 N12 O22 -","2","0.5","","Yu, Fan; Xiong, Xin; Huang, Kexing; Zhou, Yinliu; Li, Bao","2D Co-based coordination polymer with a histidine derivative as an efficient heterogeneous catalyst for the oxidation of cyclohexene","CrystEngComm","2017","19","15","2126","","10.1039/C7CE00349H","","","0.71073","MoKα","","0.064","0.0624","","","0.1769","0.1806","","","","","","1.093","","","","has coordinates","196387","2020-10-21","18:00:00",""
"7227853","17.3616","0.0004","22.7205","0.0008","10.3693","0.0003","90","","106.01","0.0012","90","","3931.7","0.2","150","2","150","2","","","","","","","","5","C 1 2 1","C 2y","5","","","","- C39 H36 Cu N0 O5 -","- C39 H36 Cu O5 -","- C156 H144 Cu4 O20 -","4","1","","Robin, Julien; Audebrand, Nathalie; Poriel, Cyril; Canivet, Jerôme; Calvez, Guillaume; Roisnel, Thierry; Dorcet, Vincent; Roussel, Pascal","A series of chiral metal‒organic frameworks based on fluorene di- and tetra-carboxylates: syntheses, crystal structures and luminescence properties","CrystEngComm","2017","19","15","2042","","10.1039/C7CE00108H","","","0.71073","MoKα","","0.1028","0.0775","","","0.2255","0.2455","","","","","","1.029","","","","has coordinates","196389","2020-10-21","18:00:00",""
"7227854","13.2142","0.0005","13.8021","0.0005","15.108","0.0005","98.5544","0.0013","94.0136","0.0013","108.002","0.0012","2571.64","0.16","150","2","150","2","","","","","","","","4","P 1","P 1","1","","","","- C106 H112 Cu4 O20 -","- C106 H105 Cu4 O20 -","- C106 H105 Cu4 O20 -","1","1","","Robin, Julien; Audebrand, Nathalie; Poriel, Cyril; Canivet, Jerôme; Calvez, Guillaume; Roisnel, Thierry; Dorcet, Vincent; Roussel, Pascal","A series of chiral metal‒organic frameworks based on fluorene di- and tetra-carboxylates: syntheses, crystal structures and luminescence properties","CrystEngComm","2017","19","15","2042","","10.1039/C7CE00108H","","","0.71073","MoKα","","0.0996","0.0732","","","0.2015","0.2233","","","","","","1.059","","","","has coordinates","196389","2020-10-21","18:00:00",""
"7227855","31.812","0.0009","31.812","0.0009","79.5235","0.0019","90","","90","","120","","69696","3","100","2","100","2","","","","","","","","6","R 3 2 :H","R 3 2""","155","","","","- C151 H132 Cs0 Cu4 N2 O20 -","- C151 H115 Cu4 N2 O20 -","- C2718 H2070 Cu72 N36 O360 -","18","1","","Robin, Julien; Audebrand, Nathalie; Poriel, Cyril; Canivet, Jerôme; Calvez, Guillaume; Roisnel, Thierry; Dorcet, Vincent; Roussel, Pascal","A series of chiral metal‒organic frameworks based on fluorene di- and tetra-carboxylates: syntheses, crystal structures and luminescence properties","CrystEngComm","2017","19","15","2042","","10.1039/C7CE00108H","","","1.5418","CuKα","","0.1495","0.1134","","","0.3136","0.3466","","","","","","1.224","","","","has coordinates","196389","2020-10-21","18:00:00",""
"7227856","18.4059","0.0007","18.7645","0.0009","34.5211","0.0014","90","","90","","90","","11922.8","0.9","150","2","150","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C81 H68 Cu4 N O20 -","- C81 H65 Cu4 N O20 -","- C324 H260 Cu16 N4 O80 -","4","1","","Robin, Julien; Audebrand, Nathalie; Poriel, Cyril; Canivet, Jerôme; Calvez, Guillaume; Roisnel, Thierry; Dorcet, Vincent; Roussel, Pascal","A series of chiral metal‒organic frameworks based on fluorene di- and tetra-carboxylates: syntheses, crystal structures and luminescence properties","CrystEngComm","2017","19","15","2042","","10.1039/C7CE00108H","","","0.71073","MoKα","","0.1036","0.0767","","","0.2268","0.2458","","","","","","1.045","","","","has coordinates","196389","2020-10-21","18:00:00",""
"7227857","7.622","0.001","19.178","0.002","10.846","0.0013","90","","96.04","0.002","90","","1576.6","0.3","100","2","100","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","Poly{[octaaquabis(mu-6-aminopyridine-3-carboxylato-kN:kO)dimanganese(II)]di(mu-6-aminopyridine-3-carboxylato)}","","- C24 H36 Mn2 N8 O16 -","- C24 H36 Mn2 N8 O16 -","- C48 H72 Mn4 N16 O32 -","2","0.5","","Rodríguez-Diéguez, Antonio; Pérez-Yáñez, Sonia; Ruiz-Rubio, Leire; Seco, Jose M.; Cepeda, Javier","From isolated to 2D coordination polymers based on 6-aminonicotinate and 3d-metal ions: towards field-induced single-ion-magnets","CrystEngComm","2017","19","16","2229","","10.1039/C7CE00234C","","","0.71073","MoKα","","0.0546","0.041","","","0.1015","0.1111","","","","","","1.035","","","","has coordinates","196385","2020-10-21","18:00:00",""
"7227858","26.181","0.006","7.86","0.0018","15.687","0.003","90","","117.124","0.007","90","","2873.1","1.1","100","2","100","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","Poly{[bis(mu-6-aminopyridine-3-carboxylato-kN:kO)cobalt(II)]hydrate}","","- C12 H12 Co N4 O5 -","- C12 H12 Co N4 O5 -","- C96 H96 Co8 N32 O40 -","8","1","","Rodríguez-Diéguez, Antonio; Pérez-Yáñez, Sonia; Ruiz-Rubio, Leire; Seco, Jose M.; Cepeda, Javier","From isolated to 2D coordination polymers based on 6-aminonicotinate and 3d-metal ions: towards field-induced single-ion-magnets","CrystEngComm","2017","19","16","2229","","10.1039/C7CE00234C","","","0.71073","MoKα","","0.143","0.0956","","","0.1918","0.21","","","","","","1.14","","","","has coordinates","196385","2020-10-21","18:00:00",""
"7227859","9.81","0.0008","14.1534","0.0011","14.2636","0.0011","73.12","0.03","74.15","0.03","86.86","0.03","1822.4","0.5","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","[triaqua(6-aminopyridine-3-carboxylato-kO)bis(4,4'-bipyridine)cobalt(II)](6-aminopyridine-3-carboxylato)pentahydrate","","- C32 H42 Co N8 O12 -","- C32 H42 Co N8 O12 -","- C64 H84 Co2 N16 O24 -","2","1","","Rodríguez-Diéguez, Antonio; Pérez-Yáñez, Sonia; Ruiz-Rubio, Leire; Seco, Jose M.; Cepeda, Javier","From isolated to 2D coordination polymers based on 6-aminonicotinate and 3d-metal ions: towards field-induced single-ion-magnets","CrystEngComm","2017","19","16","2229","","10.1039/C7CE00234C","","","0.71073","MoKα","","0.1672","0.0803","","","0.1876","0.218","","","","","","1.045","","","","has coordinates,has disorder","196385","2020-10-21","18:00:00",""
"7227860","11.895","0.0005","7.3902","0.0002","18.7683","0.0005","90","","90","","90","","1649.85","0.09","100","2","100","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","Poly{[triaqua(mu-6-aminopyridine-3-carboxylato-kN:kO)(6-aminopyridine-3-carboxylato-kO')cobalt(II)]dihydrate}","","- C12 H20 Co N4 O9 -","- C12 H20 Co N4 O9 -","- C48 H80 Co4 N16 O36 -","4","1","","Rodríguez-Diéguez, Antonio; Pérez-Yáñez, Sonia; Ruiz-Rubio, Leire; Seco, Jose M.; Cepeda, Javier","From isolated to 2D coordination polymers based on 6-aminonicotinate and 3d-metal ions: towards field-induced single-ion-magnets","CrystEngComm","2017","19","16","2229","","10.1039/C7CE00234C","","","0.71073","MoKα","","0.0393","0.0334","","","0.069","0.0726","","","","","","1.035","","","","has coordinates","196385","2020-10-21","18:00:00",""
"7227861","21.9362","0.0009","4.53698","0.00016","23.8161","0.0011","90","","112.119","0.005","90","","2195.83","0.17","293","2","293","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C10 H10 N2 O2 Se -","- C10 H8.5 N2 O2 Se -","- C80 H68 N16 O16 Se8 -","8","2","","Deng, Shulin; Zeng, Delong; Luo, Yi; Zhao, Jianfu; Li, Xiaoling; Zhao, Zhennan; Chen, Tianfeng","Enhancement of cell uptake and antitumor activity of selenadiazole derivatives through interaction and delivery by serum albumin","RSC Adv.","2017","7","27","16721","","10.1039/C6RA28801D","","","1.54184","CuKα","","0.0667","0.0551","","","0.1435","0.1594","","","","","","1.094","","","","has coordinates","203412","2020-10-21","18:00:00",""
"7227862","16.35","0.0007","4.6387","0.0002","14.6202","0.0006","90","","102.521","0.004","90","","1082.46","0.08","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C10 H10 N2 O2 Se -","- C10 H10 N2 O2 Se -","- C40 H40 N8 O8 Se4 -","4","1","","Deng, Shulin; Zeng, Delong; Luo, Yi; Zhao, Jianfu; Li, Xiaoling; Zhao, Zhennan; Chen, Tianfeng","Enhancement of cell uptake and antitumor activity of selenadiazole derivatives through interaction and delivery by serum albumin","RSC Adv.","2017","7","27","16721","","10.1039/C6RA28801D","","","1.54178","CuKα","","0.0303","0.0269","","","0.0708","0.0739","","","","","","1.061","","","","has coordinates","194293","2020-10-21","18:00:00",""
"7227863","23.715","0.003","4.6936","0.0003","24.377","0.003","90","","117.245","0.014","90","","2412.3","0.5","293","2","293","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C11 H12 N2 O2 Se -","- C11 H12 N2 O2 Se -","- C88 H96 N16 O16 Se8 -","8","2","","Deng, Shulin; Zeng, Delong; Luo, Yi; Zhao, Jianfu; Li, Xiaoling; Zhao, Zhennan; Chen, Tianfeng","Enhancement of cell uptake and antitumor activity of selenadiazole derivatives through interaction and delivery by serum albumin","RSC Adv.","2017","7","27","16721","","10.1039/C6RA28801D","","","1.54178","CuKα","","0.0657","0.0542","","","0.1349","0.1414","","","","","","1.155","","","","has coordinates","194293","2020-10-21","18:00:00",""
"7227864","7.131","0.004","9.138","0.005","14.261","0.008","77.831","0.017","76.835","0.019","79.429","0.019","875.5","0.8","153","2","153","2","","","","","","","","5","P -1","-P 1","2","","","","- C10 H13 O13 S2 Yb3 -","- C10 H13 O13 S2 Yb3 -","- C20 H26 O26 S4 Yb6 -","2","1","","Li, Haoran; Sheng, Tianlu; Xue, Zhenzhen; Zhu, Xiaoquan; Hu, Shengmin; Wen, Yuehong; Fu, Ruibiao; Zhuo, Chao; Wu, Xintao","Synthesis, structure, characterization, and multifunctional properties of a family of rare earth organic frameworks","CrystEngComm","2017","19","15","2106","","10.1039/C7CE00202E","","","0.71073","MoKα","","0.0678","0.0569","","","0.1488","0.155","","","","","","1.066","","","","has coordinates","196386","2020-10-21","18:00:00",""
"7227865","7.373","0.006","9.398","0.008","14.426","0.011","77.28","0.03","76.81","0.03","78.97","0.03","938.8","1.3","153","2","153","2","","","","","","","","5","P -1","-P 1","2","","","","- C10 H13 Gd3 O13 S2 -","- C10 H13 Gd3 O13 S2 -","- C20 H26 Gd6 O26 S4 -","2","1","","Li, Haoran; Sheng, Tianlu; Xue, Zhenzhen; Zhu, Xiaoquan; Hu, Shengmin; Wen, Yuehong; Fu, Ruibiao; Zhuo, Chao; Wu, Xintao","Synthesis, structure, characterization, and multifunctional properties of a family of rare earth organic frameworks","CrystEngComm","2017","19","15","2106","","10.1039/C7CE00202E","","","0.71073","MoKα","","0.1071","0.1041","","","0.2715","0.2745","","","","","","1.054","","","","has coordinates","196386","2020-10-21","18:00:00",""
"7227866","7.2126","0.0007","9.2072","0.001","14.3212","0.0002","77.79","0.03","76.84","0.03","79.26","0.03","895.5","0.2","153","2","153","2","","","","","","","","5","P -1","-P 1","2","","","","- C10 H13 Er3 O13 S2 -","- C10 H13 Er3 O12.99 S2 -","- C20 H26 Er6 O25.98 S4 -","2","1","","Li, Haoran; Sheng, Tianlu; Xue, Zhenzhen; Zhu, Xiaoquan; Hu, Shengmin; Wen, Yuehong; Fu, Ruibiao; Zhuo, Chao; Wu, Xintao","Synthesis, structure, characterization, and multifunctional properties of a family of rare earth organic frameworks","CrystEngComm","2017","19","15","2106","","10.1039/C7CE00202E","","","0.71073","MoKα","","0.1277","0.1097","","","0.2693","0.289","","","","","","1.02","","","","has coordinates,has disorder","196386","2020-10-21","18:00:00",""
"7227867","7.235","0.004","9.252","0.004","14.315","0.007","77.672","0.018","76.786","0.015","79.175","0.019","901.6","0.8","153","2","153","2","","","","","","","","5","P -1","-P 1","2","","","","- C10 H13 O13 S2 Y3 -","- C10 H13 O13 S2 Y3 -","- C20 H26 O26 S4 Y6 -","2","1","","Li, Haoran; Sheng, Tianlu; Xue, Zhenzhen; Zhu, Xiaoquan; Hu, Shengmin; Wen, Yuehong; Fu, Ruibiao; Zhuo, Chao; Wu, Xintao","Synthesis, structure, characterization, and multifunctional properties of a family of rare earth organic frameworks","CrystEngComm","2017","19","15","2106","","10.1039/C7CE00202E","","","0.71073","MoKα","","0.1002","0.0948","","","0.2354","0.2399","","","","","","1.047","","","","has coordinates","196386","2020-10-21","18:00:00",""
"7227868","15.3201","0.0015","15.8949","0.0015","16.0521","0.0015","72.814","0.001","83.465","0.002","87.082","0.002","3709.5","0.6","150","2","150","2","","","","","","","","4","P -1","-P 1","2","","","","- C81 H97 Cl3 O4 -","- C81 H97 Cl3 O4 -","- C162 H194 Cl6 O8 -","2","1","","Desroches, Maude; Morin, Jean-François","Synthesis and properties of a trapezoid shaped macrocycle with different [n]yne units","RSC Adv.","2017","7","28","17117","","10.1039/C7RA01721A","","","0.71073","MoKα","","0.1106","0.061","","","0.1526","0.1763","","","","","","1.021","","","","has coordinates","194348","2020-10-21","18:00:00",""
"7227869","11.31171","0.00018","13.8659","0.0003","18.2058","0.0003","90","","99.5069","0.0017","90","","2816.31","0.09","293","2","293","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C32 H25 Cu N5 O5 -","- C32 H25 Cu N5 O5 -","- C128 H100 Cu4 N20 O20 -","4","1","","Jadeja, R. N.; Vyas, K. M.; Upadhyay, K. K.; Devkar, R. V.","In vitro apoptosis-inducing effect and gene expression profiles of mixed ligand Cu(ii) complexes derived from 4-acyl pyrazolones on human lung cancer cells","RSC Adv.","2017","7","28","17107","","10.1039/C7RA01025G","","","1.54184","CuKα","","0.0504","0.0443","","","0.174","0.1918","","","","","","0.832","","","","has coordinates","194349","2020-10-21","18:00:00",""
"7227870","8.8175","0.0003","12.8309","0.0004","19.0229","0.0008","90","","102.082","0.004","90","","2104.51","0.14","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C25 H17 Cu N3 O5 -","- C25 H17 Cu N3 O5 -","- C100 H68 Cu4 N12 O20 -","4","1","","Jadeja, R. N.; Vyas, K. M.; Upadhyay, K. K.; Devkar, R. V.","In vitro apoptosis-inducing effect and gene expression profiles of mixed ligand Cu(ii) complexes derived from 4-acyl pyrazolones on human lung cancer cells","RSC Adv.","2017","7","28","17107","","10.1039/C7RA01025G","","","1.54184","CuKα","","0.0687","0.0575","","","0.169","0.182","","","","","","1.063","","","","has coordinates","194349","2020-10-21","18:00:00",""
"7227871","11.9167","0.0002","13.741","0.0002","18.0275","0.0004","90","","100.693","0.0018","90","","2900.69","0.09","293","2","293","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C34 H26 Cu N5 O5 -","- C34 H26 Cu N5 O5 -","- C136 H104 Cu4 N20 O20 -","4","1","","Jadeja, R. N.; Vyas, K. M.; Upadhyay, K. K.; Devkar, R. V.","In vitro apoptosis-inducing effect and gene expression profiles of mixed ligand Cu(ii) complexes derived from 4-acyl pyrazolones on human lung cancer cells","RSC Adv.","2017","7","28","17107","","10.1039/C7RA01025G","","","1.54184","CuKα","","0.0553","0.0488","","","0.1368","0.1427","","","","","","1.041","","","","has coordinates","194349","2020-10-21","18:00:00",""
"7227872","11.9989","0.0003","14.4984","0.0003","14.8134","0.0004","64.239","0.002","84.8034","0.0019","74.8834","0.0019","2239.82","0.1","173","0.1","173","0.1","","","","","","","","5","P -1","-P 1","2","","","","- C26 H16 O4 P Re -","- C26 H16 O4 P Re -","- C104 H64 O16 P4 Re4 -","4","2","","Sun, Ruichen; Wang, Tian; Zhang, Shaowei; Chu, Xiaodan; Zhu, Bolin","Synthesis, structures and catalytic activity of cyclometalated rhenium complexes","RSC Adv.","2017","7","28","17063","","10.1039/C6RA28263F","","x-ray","1.54184","CuKα","","0.0313","0.0294","","","0.0764","0.078","","","","","","1.061","","","","has coordinates","194350","2020-10-21","18:00:00",""
"7227873","24.564","0.003","42.547","0.005","7.7934","0.0008","90","","90","","90","","8145.1","1.6","296","2","296","2","","","","","","","","5","F d d 2","F 2 -2d","43","","","","- C20 H21 O5 P Re -","- C20 H21 O5 P Re -","- C320 H336 O80 P16 Re16 -","16","1","","Sun, Ruichen; Wang, Tian; Zhang, Shaowei; Chu, Xiaodan; Zhu, Bolin","Synthesis, structures and catalytic activity of cyclometalated rhenium complexes","RSC Adv.","2017","7","28","17063","","10.1039/C6RA28263F","","","0.71073","MoKα","","0.0295","0.0245","","","0.0435","0.0453","","","","","","1.001","","","","has coordinates,has disorder","194350","2020-10-21","18:00:00",""
"7227874","9.939","0.0005","11.0789","0.0005","11.2433","0.0006","94.119","0.004","97.332","0.004","99.066","0.004","1207.22","0.11","173","0.1","173","0.1","","","","","","","","6","P -1","-P 1","2","","","","- C26 H17 Br O4 P Re -","- C26 H17 Br O4 P Re -","- C52 H34 Br2 O8 P2 Re2 -","2","1","","Sun, Ruichen; Wang, Tian; Zhang, Shaowei; Chu, Xiaodan; Zhu, Bolin","Synthesis, structures and catalytic activity of cyclometalated rhenium complexes","RSC Adv.","2017","7","28","17063","","10.1039/C6RA28263F","","x-ray","0.71073","MoKα","","0.0394","0.0329","","","0.0571","0.0608","","","","","","0.958","","","","has coordinates,has disorder","194350","2020-10-21","18:00:00",""
"7227875","24.3119","0.0009","11.3315","0.0003","19.6695","0.0006","90","","98.995","0.003","90","","5352.1","0.3","154.5","0.9","154.5","0.9","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C28 H17 F3 O6 P Re -","- C28 H17 F3 O6 P Re -","- C224 H136 F24 O48 P8 Re8 -","8","2","","Sun, Ruichen; Wang, Tian; Zhang, Shaowei; Chu, Xiaodan; Zhu, Bolin","Synthesis, structures and catalytic activity of cyclometalated rhenium complexes","RSC Adv.","2017","7","28","17063","","10.1039/C6RA28263F","","x-ray","0.71073","MoKα","","0.0563","0.0487","","","0.1086","0.1129","","","","","","1.087","","","","has coordinates","194350","2020-10-21","18:00:00",""
"7227876","9.6422","0.0003","9.6691","0.0004","10.1342","0.0004","66.683","0.002","71.511","0.001","67.162","0.001","784.58","0.05","150","2","150","2","","","","","","","","5","P -1","-P 1","2","(3-bromo-4-(dimethylamino)phenyl)(4-(dimethylamino)phenyl)methanone","(3-bromo-4-(dimethylamino)phenyl)(4-(dimethylamino)phenyl)methanone","","- C17 H19 Br N2 O -","- C17 H19 Br N2 O -","- C34 H38 Br2 N4 O2 -","2","1","","Vaz, Patrícia A. A. M.; Rocha, João; Silva, Artur M. S.; Guieu, Samuel","Halogen-bonded dimers and ribbons from the self-assembly of 3-halobenzophenones","CrystEngComm","2017","19","16","2202","","10.1039/C7CE00260B","","","0.71073","MoKα","","0.0542","0.0386","","","0.0941","0.1007","","","","","","1.028","","","","has coordinates","196380","2020-10-21","18:00:00",""
"7227877","18.632","0.006","8.288","0.002","14.009","0.005","90","","127.796","0.008","90","","1709.4","0.9","296","2","296","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","bis(3-bromo-4-(dimethylamino)phenyl)methanone","bis(3-bromo-4-(dimethylamino)phenyl)methanone","","- C17 H18 Br2 N2 O -","- C17 H18 Br2 N2 O -","- C68 H72 Br8 N8 O4 -","4","0.5","","Vaz, Patrícia A. A. M.; Rocha, João; Silva, Artur M. S.; Guieu, Samuel","Halogen-bonded dimers and ribbons from the self-assembly of 3-halobenzophenones","CrystEngComm","2017","19","16","2202","","10.1039/C7CE00260B","","","0.71073","MoKα","","0.0382","0.0294","","","0.074","0.079","","","","","","1.041","","","","has coordinates","196380","2020-10-21","18:00:00",""
"7227878","7.2012","0.0007","10.0238","0.001","10.6964","0.001","84.21","0.003","81.717","0.003","70.242","0.003","717.94","0.12","180","2","180","2","","","","","","","","4","P -1","-P 1","2","","3,3?-Dibromo-4,4?-dimethoxybenzophenone","","- C15 H12 Br2 O3 -","- C15 H12 Br2 O3 -","- C30 H24 Br4 O6 -","2","1","","Vaz, Patrícia A. A. M.; Rocha, João; Silva, Artur M. S.; Guieu, Samuel","Halogen-bonded dimers and ribbons from the self-assembly of 3-halobenzophenones","CrystEngComm","2017","19","16","2202","","10.1039/C7CE00260B","","","0.71073","MoKα","","0.0268","0.0221","","","0.0585","0.0608","","","","","","0.993","","","","has coordinates","196380","2020-10-21","18:00:00",""
"7227879","11.8321","0.001","9.9164","0.0008","13.5148","0.001","90","","94.805","0.003","90","","1580.1","0.2","180","2","180","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","(3-bromo-4-(dimethylamino)phenyl)(3-bromo-4-(methylamino)phenyl)methanone","","- C16 H16 Br2 N2 O -","- C16 H16 Br2 N2 O -","- C64 H64 Br8 N8 O4 -","4","1","","Vaz, Patrícia A. A. M.; Rocha, João; Silva, Artur M. S.; Guieu, Samuel","Halogen-bonded dimers and ribbons from the self-assembly of 3-halobenzophenones","CrystEngComm","2017","19","16","2202","","10.1039/C7CE00260B","","","0.71073","MoKα","","0.0799","0.066","","","0.1791","0.2001","","","","","","1.083","","","","has coordinates","196380","2020-10-21","18:00:00",""
"7227880","12.2967","0.0005","9.6212","0.0005","14.0625","0.0006","90","","96.74","0.002","90","","1652.22","0.13","180","2","180","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","(4-(dimethylamino)-3-iodophenyl)(3-iodo-4-(methylamino)phenyl)methanone","","- C16 H16 I2 N2 O -","- C16 H16 I2 N2 O -","- C64 H64 I8 N8 O4 -","4","1","","Vaz, Patrícia A. A. M.; Rocha, João; Silva, Artur M. S.; Guieu, Samuel","Halogen-bonded dimers and ribbons from the self-assembly of 3-halobenzophenones","CrystEngComm","2017","19","16","2202","","10.1039/C7CE00260B","","","0.71073","MoKα","","0.0344","0.0241","","","0.0471","0.0504","","","","","","1.117","","","","has coordinates","196380","2020-10-21","18:00:00",""
"7227881","9.5382","0.0005","9.6556","0.0005","10.2314","0.0005","72.585","0.002","68.506","0.002","67.819","0.002","797.58","0.07","150","2","150","2","","","","","","","","5","P -1","-P 1","2","(3-iodo-4-(dimethylamino)phenyl)(4-(dimethylamino)phenyl)methanone","(3-iodo-4-(dimethylamino)phenyl)(4-(dimethylamino)phenyl)methanone","","- C17 H19 I N2 O -","- C17 H19 I N2 O -","- C34 H38 I2 N4 O2 -","2","1","","Vaz, Patrícia A. A. M.; Rocha, João; Silva, Artur M. S.; Guieu, Samuel","Halogen-bonded dimers and ribbons from the self-assembly of 3-halobenzophenones","CrystEngComm","2017","19","16","2202","","10.1039/C7CE00260B","","","0.71073","MoKα","","0.0507","0.0323","","","0.0638","0.0689","","","","","","1.069","","","","has coordinates","196380","2020-10-21","18:00:00",""
"7227882","6.5438","0.0004","13.1859","0.0007","12.5014","0.0007","90","","93.862","0.002","90","","1076.24","0.11","100","2","100","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","HAMH205","","","- C11 H5 F3 N2 O3 S -","- C11 H5 F3 N2 O3 S -","- C44 H20 F12 N8 O12 S4 -","4","1","","Abdel-Mohsen, H. T.; Conrad, J.; Harms, K.; Nohr, D.; Beifuss, U.","Laccase-catalyzed green synthesis and cytotoxic activity of novel pyrimidobenzothiazoles and catechol thioethers","RSC Adv.","2017","7","28","17427","","10.1039/C6RA28102H","","","0.71073","MoKα","","0.0327","0.028","","","0.0672","0.0691","","","","","","1.048","","","","has coordinates","194382","2020-10-21","18:00:00",""
"7227883","8.6208","0.0004","11.629","0.0004","15.4798","0.0006","90","","105.09","0.001","90","","1498.36","0.1","100","2","100","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","HAMH285","","","- C15 H18 N2 O3 S -","- C15 H18 N2 O3 S -","- C60 H72 N8 O12 S4 -","4","1","","Abdel-Mohsen, H. T.; Conrad, J.; Harms, K.; Nohr, D.; Beifuss, U.","Laccase-catalyzed green synthesis and cytotoxic activity of novel pyrimidobenzothiazoles and catechol thioethers","RSC Adv.","2017","7","28","17427","","10.1039/C6RA28102H","","","0.71073","MoKα","","0.0353","0.0315","","","0.0788","0.0814","","","","","","1.048","","","","has coordinates","194382","2020-10-21","18:00:00",""
"7227884","9.5121","0.0003","17.4396","0.0006","18.5025","0.0007","111.433","0.002","103.318","0.002","102.732","0.001","2618.36","0.17","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","","","- C60 H62 Cl3 N6 O4.5 -","- C60 H62 Cl3 N6 O4.5 -","- C120 H124 Cl6 N12 O9 -","2","1","","Sathiyashivan, Shankar Deval; Kumar, Chakka Kiran; Shankar, Bhaskaran; Sathiyendiran, Malaichamy; Masram, Dhanraj T.","Perfect symmetrical cyclic aromatic trimer motif in tripodal molecule","RSC Adv.","2017","7","28","17297","","10.1039/C7RA01682D","","","0.71073","MoKα","","0.1056","0.0689","","","0.1528","0.1719","","","","","","1.02","","","","has coordinates","208944","2020-10-21","18:00:00",""
"7227885","18.62","0.003","18.62","0.003","18.075","0.003","90","","90","","120","","5427.1","1.5","296","2","296","2","","","","","","","","5","P -3 c 1","-P 3 2""c","165","","","","- C121 H132 Cl6 N12 O15 -","- C121 H132 Cl6 N12 O15 -","- C242 H264 Cl12 N24 O30 -","2","0.166667","","Sathiyashivan, Shankar Deval; Kumar, Chakka Kiran; Shankar, Bhaskaran; Sathiyendiran, Malaichamy; Masram, Dhanraj T.","Perfect symmetrical cyclic aromatic trimer motif in tripodal molecule","RSC Adv.","2017","7","28","17297","","10.1039/C7RA01682D","","","0.71073","MoKα","","0.1227","0.0803","","","0.2021","0.2281","","","","","","1.082","","","","has coordinates","194383","2020-10-21","18:00:00",""
"7227886","9.401","0.005","10.66","0.005","11.058","0.005","107.936","0.005","98.134","0.003","110.383","0.003","949.1","0.8","223","","223","","","","","","","","","5","P -1","-P 1","2","","tert-Butyl 2-(2,1,3-benzothiadiazol-4-yl)-3-ethyl-1H-indole-1-carboxylate","","- C21 H21 N3 O2 S -","- C21 H21 N3 O2 S -","- C42 H42 N6 O4 S2 -","2","1","","Ito, Suguru; Taguchi, Tomohiro; Yamada, Takeshi; Ubukata, Takashi; Yamaguchi, Yoshitaka; Asami, Masatoshi","Indolylbenzothiadiazoles with varying substituents on the indole ring: a systematic study on the self-recovering mechanochromic luminescence","RSC Adv.","2017","7","28","16953","","10.1039/C7RA01006K","","","0.71075","MoKα","","0.051","0.0463","","","0.1274","0.132","","","","","","1.05","","","","has coordinates","194384","2020-10-21","18:00:00",""
"7227887","8.367","0.003","8.84","0.003","10.153","0.003","80.099","0.013","67.01","0.011","82.285","0.014","679.2","0.4","223","","223","","","","","","","","","4","P -1","-P 1","2","","4-(1,3-Dimethyl-1H-indol-2-yl)-2,1,3-benzothiadiazole","","- C16 H13 N3 S -","- C16 H13 N3 S -","- C32 H26 N6 S2 -","2","1","","Ito, Suguru; Taguchi, Tomohiro; Yamada, Takeshi; Ubukata, Takashi; Yamaguchi, Yoshitaka; Asami, Masatoshi","Indolylbenzothiadiazoles with varying substituents on the indole ring: a systematic study on the self-recovering mechanochromic luminescence","RSC Adv.","2017","7","28","16953","","10.1039/C7RA01006K","","","0.71075","MoKα","","0.0646","0.061","","","0.175","0.1786","","","","","","1.076","","","","has coordinates","194384","2020-10-21","18:00:00",""
"7227888","11.305","0.008","11.319","0.008","11.788","0.008","109.674","0.006","98.76","0.004","115.528","0.004","1200.6","1.5","223","","223","","","","","","","","","6","P -1","-P 1","2","","4-(3-Methyl-1-tosyl-1H-indol-2-yl)-2,1,3-benzothiaziazole","","- C23 H18 Cl3 N3 O2 S2 -","- C23 H18 Cl3 N3 O2 S2 -","- C46 H36 Cl6 N6 O4 S4 -","2","1","","Ito, Suguru; Taguchi, Tomohiro; Yamada, Takeshi; Ubukata, Takashi; Yamaguchi, Yoshitaka; Asami, Masatoshi","Indolylbenzothiadiazoles with varying substituents on the indole ring: a systematic study on the self-recovering mechanochromic luminescence","RSC Adv.","2017","7","28","16953","","10.1039/C7RA01006K","","","0.71075","MoKα","","0.0747","0.0658","","","0.181","0.1911","","","","","","1.053","","","","has coordinates","194384","2020-10-21","18:00:00",""
"7227889","9.3836","","9.5084","0.0005","12.6685","0.0003","84.707","0.012","69.198","0.007","77.736","0.012","1032.35","0.09","223","","223","","","","","","","","","5","P -1","-P 1","2","","tert-Butyl 2-(2,1,3-benzothiadiazol-4-yl)-3-isopropyl-1H-indole-1-carboxylate","","- C22 H23 N3 O2 S -","- C22 H23 N3 O2 S -","- C44 H46 N6 O4 S2 -","2","1","","Ito, Suguru; Taguchi, Tomohiro; Yamada, Takeshi; Ubukata, Takashi; Yamaguchi, Yoshitaka; Asami, Masatoshi","Indolylbenzothiadiazoles with varying substituents on the indole ring: a systematic study on the self-recovering mechanochromic luminescence","RSC Adv.","2017","7","28","16953","","10.1039/C7RA01006K","","","0.71075","MoKα","","0.0509","0.0455","","","0.1187","0.1229","","","","","","1.034","","","","has coordinates","194384","2020-10-21","18:00:00",""
"7227890","11.028","0.007","14.215","0.008","11.554","0.007","90","","114.243","0.007","90","","1651.5","1.7","223","","223","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","Ethyl 2-(2,1,3-benzothiadiazol-4-yl)-3-methyl-1H-indole-1-carboxylate","","- C18 H15 N3 O2 S -","- C18 H15 N3 O2 S -","- C72 H60 N12 O8 S4 -","4","1","","Ito, Suguru; Taguchi, Tomohiro; Yamada, Takeshi; Ubukata, Takashi; Yamaguchi, Yoshitaka; Asami, Masatoshi","Indolylbenzothiadiazoles with varying substituents on the indole ring: a systematic study on the self-recovering mechanochromic luminescence","RSC Adv.","2017","7","28","16953","","10.1039/C7RA01006K","","","0.71075","MoKα","","0.091","0.0724","","","0.19","0.2121","","","","","","1.099","","","","has coordinates","194384","2020-10-21","18:00:00",""
"7227891","12.119","0.005","13.78","0.005","21.31","0.008","90","","98.941","0.007","90","","3516","2","223","","223","","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","2-(2,1,3-Benzothiadiazol-4-yl)-3-methyl-1H-indol-1-yl-2,2-dimethylpropan-1-one","","- C20 H19 N3 O S -","- C20 H19 N3 O S -","- C160 H152 N24 O8 S8 -","8","2","","Ito, Suguru; Taguchi, Tomohiro; Yamada, Takeshi; Ubukata, Takashi; Yamaguchi, Yoshitaka; Asami, Masatoshi","Indolylbenzothiadiazoles with varying substituents on the indole ring: a systematic study on the self-recovering mechanochromic luminescence","RSC Adv.","2017","7","28","16953","","10.1039/C7RA01006K","","","0.71075","MoKα","","0.0643","0.0506","","","0.1178","0.1268","","","","","","1.082","","","","has coordinates","194384","2020-10-21","18:00:00",""
"7227892","20.828","0.007","11.825","0.004","15.926","0.005","90","","111.203","0.004","90","","3657","2","173","","173","","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","2-(2,1,3-Benzothiadiazol-4-yl)-3-methyl-1H-indol-1-yl(phenyl)methanone","","- C22 H15 N3 O S -","- C22 H15 N3 O S -","- C176 H120 N24 O8 S8 -","8","1","","Ito, Suguru; Taguchi, Tomohiro; Yamada, Takeshi; Ubukata, Takashi; Yamaguchi, Yoshitaka; Asami, Masatoshi","Indolylbenzothiadiazoles with varying substituents on the indole ring: a systematic study on the self-recovering mechanochromic luminescence","RSC Adv.","2017","7","28","16953","","10.1039/C7RA01006K","","","0.71075","MoKα","","0.1147","0.0843","","","0.2211","0.2476","","","","","","1.126","","","","has coordinates","194384","2020-10-21","18:00:00",""
"7227893","9.48269","0.00014","12.34678","0.00029","3.68977","0.000052","90","","90","","90.4227","0.0069","431.989","0.013","298","","298","","","","","","","","","5","P 1 1 2/m","-P 2","10","Dibromo(4-cyanopyridine)Nickel","Dibromo(4-cyanopyridine)Nickel","","- C6 H4 Br2 N2 Ni -","- C6 H4 Br2 N2 Ni -","- C12 H8 Br4 N4 Ni2 -","2","0.5","","Zhao, Haishuang; Bodach, Alexander; Heine, Miriam; Krysiak, Yasar; Glinnemann, Jürgen; Alig, Edith; Fink, Lothar; Schmidt, Martin U.","4-Cyanopyridine, a versatile mono- and bidentate ligand. Crystal structures of related coordination polymers determined by X-ray powder diffraction","CrystEngComm","2017","19","16","2216","","10.1039/C7CE00425G","powder diffraction","","1.5406","CuKα~1~","","","","","","","","","","1.628","","","","","","","has coordinates","204140","2020-10-21","18:00:00",""
"7227894","26.69813","0.00038","7.29357","0.00011","3.735946","0.000042","90","","90","","90","","727.481","0.017","298","","298","","","","","","","","","5","P n n m","-P 2 2n","58","Dibromo-bis(4-cyanopyridine)Nickel","Dibromo-bis(4-cyanopyridine)Nickel","","- C12 H8 Br2 N4 Ni -","- C12 H8 Br2 N4 Ni -","- C24 H16 Br4 N8 Ni2 -","2","0.25","","Zhao, Haishuang; Bodach, Alexander; Heine, Miriam; Krysiak, Yasar; Glinnemann, Jürgen; Alig, Edith; Fink, Lothar; Schmidt, Martin U.","4-Cyanopyridine, a versatile mono- and bidentate ligand. Crystal structures of related coordination polymers determined by X-ray powder diffraction","CrystEngComm","2017","19","16","2216","","10.1039/C7CE00425G","powder diffraction","","1.5406","CuKα~1~","","","","","","","","","0.01613","1.481","","","","","","","has coordinates","204140","2020-10-21","18:00:00",""
"7227895","9.50494","0.00026","7.58104","0.00041","3.513186","0.000064","90","","90","","128.019","0.0032","199.433","0.015","298","","298","","","","","","","","","5","P 1 1 m","P -2","6","Dichloro-bis(4-cyanopyridine)Nickel","Dichloro(4-cyanopyridine)Nickel","","- C6 H4 Cl2 N2 Ni -","- C6 H4 Cl2 N2 Ni -","- C6 H4 Cl2 N2 Ni -","1","0.5","","Zhao, Haishuang; Bodach, Alexander; Heine, Miriam; Krysiak, Yasar; Glinnemann, Jürgen; Alig, Edith; Fink, Lothar; Schmidt, Martin U.","4-Cyanopyridine, a versatile mono- and bidentate ligand. Crystal structures of related coordination polymers determined by X-ray powder diffraction","CrystEngComm","2017","19","16","2216","","10.1039/C7CE00425G","powder diffraction","","1.5406","CuKα~1~","","","","","","","","","0.01769","1.485","","","","","","","has coordinates","204140","2020-10-21","18:00:00",""
"7227896","26.8461","0.0015","7.31908","0.00032","3.7708","0.00011","90","","90","","90","","740.92","0.06","298","","298","","","","","","","","","5","P n n m","-P 2 2n","58","Dibromo-bis(4-cyanopyridine)Cobalt","Dibromo-bis(4-cyanopyridine)Cobalt","","- C12 H8 Br2 Co N4 -","- C12 H8 Br2 Co N4 -","- C24 H16 Br4 Co2 N8 -","2","0.25","","Zhao, Haishuang; Bodach, Alexander; Heine, Miriam; Krysiak, Yasar; Glinnemann, Jürgen; Alig, Edith; Fink, Lothar; Schmidt, Martin U.","4-Cyanopyridine, a versatile mono- and bidentate ligand. Crystal structures of related coordination polymers determined by X-ray powder diffraction","CrystEngComm","2017","19","16","2216","","10.1039/C7CE00425G","powder diffraction","","0.7093","MoKα~1~","","","","","","","","","0.00863","1.06","","","","","","","has coordinates","204140","2020-10-21","18:00:00",""
"7227897","7.96092","0.00038","27.33624","0.00013","3.79473","0.00018","90","","97.4815","0.0016","90","","818.79","0.06","298","","298","","","","","","","","","5","P 1 21/n 1","-P 2yn","14","Dichloro-bis(4-cyanopyridine)copper","Dichloro(4-cyanopyridine)copper","","- C6 H4 Cl2 Cu N2 -","- C6 H4 Cl2 Cu N2 -","- C24 H16 Cl8 Cu4 N8 -","4","1","","Zhao, Haishuang; Bodach, Alexander; Heine, Miriam; Krysiak, Yasar; Glinnemann, Jürgen; Alig, Edith; Fink, Lothar; Schmidt, Martin U.","4-Cyanopyridine, a versatile mono- and bidentate ligand. Crystal structures of related coordination polymers determined by X-ray powder diffraction","CrystEngComm","2017","19","16","2216","","10.1039/C7CE00425G","powder diffraction","","1.5406","CuKα~1~","","","","","","","","","0.03203","2.091","","","","","","","has coordinates","204140","2020-10-21","18:00:00",""
"7227898","26.4504","0.0007","7.16668","0.00019","3.58904","0.00007","90","","92.474","0.004","90","","679.71","0.03","298","","298","","","","","","","","","5","P 1 21/n 1","-P 2yn","14","Dichloro-bis(4-cyanopyridine)Nickel","Dichloro-bis(4-cyanopyridine)Nickel","","- C12 H8 Cl2 N4 Ni -","- C12 H8 Cl2 N4 Ni -","- C24 H16 Cl4 N8 Ni2 -","2","0.5","","Zhao, Haishuang; Bodach, Alexander; Heine, Miriam; Krysiak, Yasar; Glinnemann, Jürgen; Alig, Edith; Fink, Lothar; Schmidt, Martin U.","4-Cyanopyridine, a versatile mono- and bidentate ligand. Crystal structures of related coordination polymers determined by X-ray powder diffraction","CrystEngComm","2017","19","16","2216","","10.1039/C7CE00425G","powder diffraction","","1.5406","CuKα~1~","","","","","","","","","0.0085","1.366","","","","","","","has coordinates","204140","2020-10-21","18:00:00",""
"7227899","13.83118","0.00025","7.93848","0.00014","3.79073","0.000043","96.1714","0.0015","94.9144","0.0014","96.8254","0.0011","408.824","0.011","298","","298","","","","","","","","","5","P -1","-P 1","2","Dichloro-bis(4-cyanopyridine)copper","Dichloro(4-cyanopyridine)copper","","- C6 H4 Cl2 Cu N2 -","- C6 H4 Cl2 Cu N2 -","- C12 H8 Cl4 Cu2 N4 -","2","1","","Zhao, Haishuang; Bodach, Alexander; Heine, Miriam; Krysiak, Yasar; Glinnemann, Jürgen; Alig, Edith; Fink, Lothar; Schmidt, Martin U.","4-Cyanopyridine, a versatile mono- and bidentate ligand. Crystal structures of related coordination polymers determined by X-ray powder diffraction","CrystEngComm","2017","19","16","2216","","10.1039/C7CE00425G","powder diffraction","","1.5406","CuKα~1~","","","","","","","","","0.01767","1.742","","","","","","","has coordinates","204140","2020-10-21","18:00:00",""
"7227900","8.322","0.005","10.111","0.005","14.048","0.005","99.667","0.005","102.545","0.005","113.317","0.005","1016.2","0.9","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","","","- C21 H16 Cd N2 O8 -","- C21 H16 Cd N2 O8 -","- C42 H32 Cd2 N4 O16 -","2","1","","Gupta, Anoop K.; Tomar, Kapil; Bharadwaj, Parimal K.","Cd(ii) coordination polymers constructed with a flexible carboxylate linker and pyridyl co-linkers: variation in the network topologies and photoluminescence properties","CrystEngComm","2017","19","16","2253","","10.1039/C7CE00156H","","","0.71069","MoKα","","0.0838","0.0642","","","0.1858","0.2","","","","","","1.07","","","","has coordinates","196381","2020-10-21","18:00:00",""
"7227901","8.363","0.009","10.188","0.011","14.322","0.015","98.845","0.015","100.165","0.014","112.564","0.012","1076","2","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","","","- C44 H34 Cd2 N2 O17 -","- C44 H34 Cd2 N2 O17 -","- C44 H34 Cd2 N2 O17 -","1","0.5","","Gupta, Anoop K.; Tomar, Kapil; Bharadwaj, Parimal K.","Cd(ii) coordination polymers constructed with a flexible carboxylate linker and pyridyl co-linkers: variation in the network topologies and photoluminescence properties","CrystEngComm","2017","19","16","2253","","10.1039/C7CE00156H","","","0.71073","MoKα","","0.064","0.0467","","","0.1106","0.1441","","","","","","1.148","","","","has coordinates","196381","2020-10-21","18:00:00",""
"7227902","8.418","0.005","10.214","0.005","11.382","0.005","75.111","0.005","83.956","0.005","78.582","0.005","925.5","0.8","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","","","- C22 H16 Cd N O7 -","- C22 H16 Cd N O7 -","- C44 H32 Cd2 N2 O14 -","2","1","","Gupta, Anoop K.; Tomar, Kapil; Bharadwaj, Parimal K.","Cd(ii) coordination polymers constructed with a flexible carboxylate linker and pyridyl co-linkers: variation in the network topologies and photoluminescence properties","CrystEngComm","2017","19","16","2253","","10.1039/C7CE00156H","","","0.71069","MoKα","","0.0448","0.036","","","0.0843","0.0888","","","","","","1.053","","","","has coordinates","196381","2020-10-21","18:00:00",""
"7227903","9.904","0.005","11.945","0.005","13.078","0.005","69.194","0.005","75.412","0.005","70.291","0.005","1346.1","1","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","","","- C58 H52 Cd3 N4 O17 -","- C58 H52 Cd3 N4 O17 -","- C58 H52 Cd3 N4 O17 -","1","0.5","","Gupta, Anoop K.; Tomar, Kapil; Bharadwaj, Parimal K.","Cd(ii) coordination polymers constructed with a flexible carboxylate linker and pyridyl co-linkers: variation in the network topologies and photoluminescence properties","CrystEngComm","2017","19","16","2253","","10.1039/C7CE00156H","","","0.71069","MoKα","","0.0871","0.0466","","","0.0899","0.1021","","","","","","1.028","","","","has coordinates","196381","2020-10-21","18:00:00",""
"7227904","9.995","0.005","18.248","0.005","22.57","0.005","90","0.005","90","0.005","90","0.005","4117","3","100","2","100","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C32 H40 Cd3 O26 -","- C32 H40 Cd3 O26 -","- C128 H160 Cd12 O104 -","4","1","","Gupta, Anoop K.; Tomar, Kapil; Bharadwaj, Parimal K.","Cd(ii) coordination polymers constructed with a flexible carboxylate linker and pyridyl co-linkers: variation in the network topologies and photoluminescence properties","CrystEngComm","2017","19","16","2253","","10.1039/C7CE00156H","","","0.71069","MoKα","","0.0511","0.0388","","","0.09","0.0972","","","","","","1.08","","","","has coordinates","196381","2020-10-21","18:00:00",""
"7227905","16.164","0.005","11.755","0.005","20.199","0.004","90","","120.402","0.017","90","","3310.2","1.9","100","2","100","2","","","","","","","","5","P 1 2/c 1","-P 2yc","13","","","","- C62 H46 Cd3 N6 O16 -","- C62 H46 Cd3 N6 O16 -","- C124 H92 Cd6 N12 O32 -","2","0.5","","Gupta, Anoop K.; Tomar, Kapil; Bharadwaj, Parimal K.","Cd(ii) coordination polymers constructed with a flexible carboxylate linker and pyridyl co-linkers: variation in the network topologies and photoluminescence properties","CrystEngComm","2017","19","16","2253","","10.1039/C7CE00156H","","","0.71069","MoKα","","0.0961","0.0593","","","0.1531","0.1683","","","","","","1.007","","","","has coordinates","196381","2020-10-21","18:00:00",""
"7227906","15.0907","0.0009","15.2326","0.0009","18.8918","0.0011","80.9942","0.0009","83.7204","0.001","75.2446","0.0009","4136.7","0.4","293","2","293","2","","","","","","","","8","P -1","-P 1","2","","","","- C48 H56 As6 Cu4 Mo36 N32 Na2 O128 -","- C48 H56 As6 Cu4 Mo36 N32 Na2 O128 -","- C48 H56 As6 Cu4 Mo36 N32 Na2 O128 -","1","0.5","","Li, Feng-rui; Lv, Jing-hua; Yu, Kai; Zhang, He; Wang, Chun-mei; Wang, Chunxiao; Zhou, Bai-bin","Two extended Wells–Dawson arsenomolybdate architectures directed by Na(i) and/or Cu(i) organic complex linkers","CrystEngComm","2017","19","17","2320","","10.1039/C6CE02539K","","","0.71","MoKα","","0.082","0.0757","","","0.1037","0.1251","","","","","","1.093","","","","has coordinates","287753","2023-11-23","09:34:45",""
"7227907","22.034","0.013","22.034","0.013","34.773","0.016","90","","90","","120","","14620","14","296","2","296","2","","","","","","","","7","R -3 c :H","-R 3 2""c","167","","","","- C144 H144 As12 Cu36 Mo108 N216 O372 -","- C144 H144 As12 Cu36 Mo108 N216 O371.964 -","- C144 H144 As12 Cu36 Mo108 N216 O371.964 -","1","0.0277778","","Li, Feng-rui; Lv, Jing-hua; Yu, Kai; Zhang, He; Wang, Chun-mei; Wang, Chunxiao; Zhou, Bai-bin","Two extended Wells‒Dawson arsenomolybdate architectures directed by Na(i) and/or Cu(i) organic complex linkers","CrystEngComm","2017","19","17","2320","","10.1039/C6CE02539K","","","0.71073","MoKα","","0.0891","0.0717","","","0.1827","0.2128","","","","","","1.07","","","","has coordinates,has disorder","196376","2020-10-21","18:00:00",""
"7227908","13.3102","0.0019","17.025","0.002","14.896","0.002","90","","108.86","0.004","90","","3194.3","0.7","293","2","293","2","","","","","","","","5","P 1 21 1","P 2yb","4","{D-Gln@TMeQ[6]}.Cl.11H2O","complex1","","- C45 H77 Cl N26 O26 -","- C45 H55 Cl N26 O26 -","- C90 H110 Cl2 N52 O52 -","2","1","","Shan, Pei-Hui; Tu, Shi-Chun; Lin, Rui-Lian; Tao, Zhu; Liu, Jing-Xin; Xiao, Xin","Supramolecular complexes of α,α′,δ,δ′-tetramethyl-cucurbit[6]uril binding with enantiomeric amino acids","CrystEngComm","2017","19","16","2168","","10.1039/C7CE00340D","","","0.71073","MoKα","","0.1773","0.0989","","","0.2487","0.3059","","","","","","1.003","","","","has coordinates","196383","2020-10-21","18:00:00",""
"7227909","13.4651","0.0009","16.34","0.0011","29.934","0.002","90","","100.665","0.002","90","","6472.3","0.8","273","2","273","2","","","","","","","","5","P 1 21 1","P 2yb","4","{TMeQ[6]?Cd(H2O)3D-Val?TMeQ[6]}.(NO3)2.21H2O","complex7","","- C85 H139 Cd N51 O53 -","- C85 H97 Cd N49 O45 -","- C170 H194 Cd2 N98 O90 -","2","1","","Shan, Pei-Hui; Tu, Shi-Chun; Lin, Rui-Lian; Tao, Zhu; Liu, Jing-Xin; Xiao, Xin","Supramolecular complexes of α,α′,δ,δ′-tetramethyl-cucurbit[6]uril binding with enantiomeric amino acids","CrystEngComm","2017","19","16","2168","","10.1039/C7CE00340D","","","0.71073","MoKα","","0.0523","0.0438","","","0.1082","0.1132","","","","","","1.013","","","","has coordinates","196383","2020-10-21","18:00:00",""
"7227910","13.277","0.002","17.119","0.003","15.609","0.003","90","","112.981","0.002","90","","3266.2","1","273","2","273","2","","","","","","","","5","P 1 21 1","P 2yb","4","L-Ser?TMeQ[6].Cl.10H2O","complex6","","- C43 H72 Cl N25 O25 -","- C43 H52 N25 O25 -","- C86 H104 N50 O50 -","2","1","","Shan, Pei-Hui; Tu, Shi-Chun; Lin, Rui-Lian; Tao, Zhu; Liu, Jing-Xin; Xiao, Xin","Supramolecular complexes of α,α′,δ,δ′-tetramethyl-cucurbit[6]uril binding with enantiomeric amino acids","CrystEngComm","2017","19","16","2168","","10.1039/C7CE00340D","","","0.71073","MoKα","","0.1404","0.0667","","","0.1728","0.1873","","","","","","1.013","","","","has coordinates","196383","2020-10-21","18:00:00",""
"7227911","13.219","0.003","17.089","0.004","15.467","0.003","90","","112.608","0.007","90","","3225.5","1.2","273","2","273","2","","","","","","","","5","P 1 21 1","P 2yb","4","D-Ser?TMeQ[6].Cl.10H2O","complex5","","- C43 H72 Cl N25 O25 -","- C43 H52 N25 O24.5 -","- C86 H104 N50 O49 -","2","1","","Shan, Pei-Hui; Tu, Shi-Chun; Lin, Rui-Lian; Tao, Zhu; Liu, Jing-Xin; Xiao, Xin","Supramolecular complexes of α,α′,δ,δ′-tetramethyl-cucurbit[6]uril binding with enantiomeric amino acids","CrystEngComm","2017","19","16","2168","","10.1039/C7CE00340D","","","0.71073","MoKα","","0.0901","0.0776","","","0.2151","0.2288","","","","","","1.013","","","","has coordinates","196383","2020-10-21","18:00:00",""
"7227912","11.9992","0.0009","12.9523","0.0005","12.967","0.0005","117.184","0.001","105.147","0.002","93.662","0.002","1690.55","0.16","293","2","293","2","","","","","","","","6","P 1","P 1","1","{Cd(H2O)5(D-Met)@TMeQ[6]}.(NO3)2.10H2O","complex3","","- C45 H84 Cd N27 O35 S -","- C45 H55 Cd N27 O35 S -","- C45 H55 Cd N27 O35 S -","1","1","","Shan, Pei-Hui; Tu, Shi-Chun; Lin, Rui-Lian; Tao, Zhu; Liu, Jing-Xin; Xiao, Xin","Supramolecular complexes of α,α′,δ,δ′-tetramethyl-cucurbit[6]uril binding with enantiomeric amino acids","CrystEngComm","2017","19","16","2168","","10.1039/C7CE00340D","","","0.71073","MoKα","","0.0466","0.0456","","","0.1259","0.1284","","","","","","1.003","","","","has coordinates","196383","2020-10-21","18:00:00",""
"7227913","13.2985","0.0015","17.0458","0.0019","14.9506","0.0017","90","","108.985","0.003","90","","3204.7","0.6","273","2","273","2","","","","","","","","5","P 1 21 1","P 2yb","4","{L-Gln@TMeQ[6]}.Cl.11H2O","complex2","","- C45 H77 Cl N26 O26 -","- C45 H55 Cl N26 O26 -","- C90 H110 Cl2 N52 O52 -","2","1","","Shan, Pei-Hui; Tu, Shi-Chun; Lin, Rui-Lian; Tao, Zhu; Liu, Jing-Xin; Xiao, Xin","Supramolecular complexes of α,α′,δ,δ′-tetramethyl-cucurbit[6]uril binding with enantiomeric amino acids","CrystEngComm","2017","19","16","2168","","10.1039/C7CE00340D","","","0.71073","MoKα","","0.1557","0.0963","","","0.2409","0.2852","","","","","","1.006","","","","has coordinates","196383","2020-10-21","18:00:00",""
"7227914","12.0385","0.0011","12.9653","0.0006","12.9988","0.0006","117.301","0.002","93.649","0.002","105.198","0.002","1699.4","0.2","293","2","293","2","","","","","","","","6","P 1","P 1","1","{Cd(H2O)5(L-Met)@TMeQ[6]}.(NO3)2.10H2O","complex4","","- C45 H84 Cd N27 O35 S -","- C45 H55 Cd N27 O34 S -","- C45 H55 Cd N27 O34 S -","1","1","","Shan, Pei-Hui; Tu, Shi-Chun; Lin, Rui-Lian; Tao, Zhu; Liu, Jing-Xin; Xiao, Xin","Supramolecular complexes of α,α′,δ,δ′-tetramethyl-cucurbit[6]uril binding with enantiomeric amino acids","CrystEngComm","2017","19","16","2168","","10.1039/C7CE00340D","","","0.71073","MoKα","","0.0953","0.0853","","","0.22","0.2464","","","","","","1.003","","","","has coordinates","196383","2020-10-21","18:00:00",""
"7227915","25.5147","0.0015","13.4137","0.0008","14.6329","0.0009","90","","101.966","0.0009","90","","4899.2","0.5","293","2","293","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C34 H46 Ce2 N6 O22 -","- C22 H18 Ce2 N2 O18 -","- C88 H72 Ce8 N8 O72 -","4","0.5","","Ma, Aiqing; Ke, Fei; Jiang, Jing; Yuan, Qiaoyu; Luo, Zhidong; Liu, Jianqiang; Kumar, Abhinav","Two lanthanide-based metal‒organic frameworks for highly efficient adsorption and removal of fluoride ions from water","CrystEngComm","2017","19","16","2172","","10.1039/C7CE00291B","","","0.71073","MoKα","","0.0806","0.0562","","","0.1506","0.1698","","","","","","1.039","","","","has coordinates","196384","2020-10-21","18:00:00",""
"7227916","14.221","0.0001","14.221","","9.5733","0.0001","90","","90","","120","","1676.69","0.02","","","","","","","","","","","","3","R -3 :H","-R 3","148","","","","- Al2 Cd O4 -","- Al2 Cd O4 -","- Al36 Cd18 O72 -","18","1","","Ran, Weiguang; Wang, Lili; Liu, Qingzhi; Liu, Guangzeng; Qu, Dan; Pan, Xiaohua; Shi, Jinsheng","Mn2+ doped CdAl2O4 phosphors with new structure and special fluorescence properties: experimental and theoretical analysis","RSC Adv.","2017","7","29","17612","","10.1039/C7RA01623A","","","","","","","","","","","","","","","","","","","","","has coordinates","194403","2020-10-21","18:00:00",""
"7227917","18.9711","0.0009","18.9711","0.0009","44.954","0.002","90","","90","","120","","14011.5","1.1","296","2","296","2","","","","","","","","5","R -3 :H","-R 3","148","","","","- C19 H11 Cu N O4 -","- C19 H7 Cu N O4 -","- C342 H126 Cu18 N18 O72 -","18","1","","Wang, Di; Sun, Libo; Liu, Yuchuan; Du, Jianfeng; Wang, Shun; Song, Xiaowei; Liang, Zhiqiang","Synthesis, structure and gas adsorption properties of a stable microporous Cu-based metal‒organic framework assembled from a T-shaped pyridyl dicarboxylate ligand","RSC Adv.","2017","7","29","17697","","10.1039/C7RA01125C","","","0.71073","MoKα","","0.0735","0.0597","","","0.2127","0.2315","","","","","","1.184","","","","has coordinates","194404","2020-10-21","18:00:00",""
"7227918","4.0145","0.0003","26.7097","0.0018","11.7285","0.001","90","","94.126","0.007","90","","1254.34","0.17","290","2","290","2","","","","","","","","4","C 1 c 1","C -2yc","9","","","","- C15 H13 N O3 -","- C15 H13 N O3 -","- C60 H52 N4 O12 -","4","1","","Qian, Zongzheng; Li, Dongxue; Xie, Tongqing; Zhang, Xuepeng; He, Yang; Ai, Yuejie; Zhang, Guoqing","Curved fractal structures of pyridine-substituted β-diketone crystals","CrystEngComm","2017","19","17","2283","","10.1039/C7CE00462A","","","0.71073","MoKα","","0.0573","0.0396","","","0.0754","0.0842","","","","","","1.014","","","","has coordinates,has disorder","196375","2020-10-21","18:00:00",""
"7227919","21.986","0.002","3.9115","0.0004","30.02","0.002","90","","106.946","0.009","90","","2469.6","0.4","290","2","290","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C15 H13 N O3 -","- C15 H13 N O3 -","- C120 H104 N8 O24 -","8","1","","Qian, Zongzheng; Li, Dongxue; Xie, Tongqing; Zhang, Xuepeng; He, Yang; Ai, Yuejie; Zhang, Guoqing","Curved fractal structures of pyridine-substituted β-diketone crystals","CrystEngComm","2017","19","17","2283","","10.1039/C7CE00462A","","","1.54184","CuKα","","0.0738","0.0575","","","0.1491","0.1688","","","","","","1.039","","","","has coordinates,has disorder","196375","2020-10-21","18:00:00",""
"7227920","3.8841","0.0002","11.6062","0.0006","27.622","0.0012","90","","90","","90","","1245.19","0.11","290","2","290","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C15 H13 N O3 -","- C15 H13 N O3 -","- C60 H52 N4 O12 -","4","1","","Qian, Zongzheng; Li, Dongxue; Xie, Tongqing; Zhang, Xuepeng; He, Yang; Ai, Yuejie; Zhang, Guoqing","Curved fractal structures of pyridine-substituted β-diketone crystals","CrystEngComm","2017","19","17","2283","","10.1039/C7CE00462A","","","1.54184","CuKα","","0.0454","0.0404","","","0.1083","0.1139","","","","","","1.077","","","","has coordinates,has disorder","196375","2020-10-21","18:00:00",""
"7227921","33.6004","0.0006","26.9604","0.0005","23.2138","0.0005","90","","90","","90","","21028.9","0.7","133","2","133","2","","","","","","","","5","C m c e","-C 2ac 2","64","","","","- C50 H28 Co3 N2 O16 -","- C50 H28 Co3 N2 O16 -","- C400 H224 Co24 N16 O128 -","8","0.5","","Akintola, Oluseun; Ziegenbalg, Sven; Buchholz, Axel; Görls, Helmar; Plass, Winfried","Robust anionic pillared-layer framework with triphenylamine-based linkers: ion exchange and counterion-dependent sorption properties","CrystEngComm","2017","","","","","10.1039/C7CE00369B","","","0.71073","MoKα","","0.0929","0.0649","","","0.182","0.1984","","","","","","1.02","","","","has coordinates","194464","2020-10-21","18:00:00",""
"7227922","4.8168","0.0006","10.4707","0.001","11.0951","0.0009","107.086","0.008","95.382","0.009","93.503","0.009","530.21","0.1","100","2","100","2","","","","","","","","3","P 1","P 1","1","","","","- C4 H6 O5 -","- C4 H6 O5 -","- C16 H24 O20 -","4","4","","Kotelnikova, Elena N.; Isakov, Anton I.; Lorenz, Heike","Non-equimolar discrete compounds in binary chiral systems of organic substances","CrystEngComm","2017","19","14","1851","","10.1039/C6CE02209J","","x-ray","1.54184","CuKα","","0.0557","0.0519","","","0.1375","0.1425","","","","","","1.034","","","","has coordinates","203412","2020-10-21","18:00:00",""
"7227923","25.7697","0.0014","5.2445","0.0002","9.6681","0.0006","90","","97.215","0.005","90","","1296.29","0.12","100.01","0.1","100.01","0.1","","","","","","","","4","C 1 2 1","C 2y","5","","","","- C10.85 H22.57 N2 O4 -","- C10.845 H22.57 N2 O4 -","- C43.38 H90.28 N8 O16 -","4","1","","Kotelnikova, Elena N.; Isakov, Anton I.; Lorenz, Heike","Non-equimolar discrete compounds in binary chiral systems of organic substances","CrystEngComm","2017","19","14","1851","","10.1039/C6CE02209J","","x-ray","1.54184","CuKα","","0.0439","0.0428","","","0.1171","0.1182","","","","","","1.061","","","","has coordinates","195033","2020-10-21","18:00:00",""
"7227924","22.3946","0.0004","4.8894","0.0001","16.9441","0.0003","90","","122.616","0.001","90","","1562.73","0.05","297","2","297","2","","","","","","","","6","C 1 c 1","C -2yc","9","","","","- C13 H14 Cu N2 O7 P2 -","- C13 H14 Cu N2 O7 P2 -","- C52 H56 Cu4 N8 O28 P8 -","4","1","","Demadis, Konstantinos D.; Anagnostou, Zafeiria; Panera, Aggeliki; Mezei, Gellert; Kirillova, Marina V.; Kirillov, Alexander M.","Three-component 1D and 2D metal phosphonates: structural variability, topological analysis and catalytic hydrocarboxylation of alkanes","RSC Adv.","2017","7","29","17788","","10.1039/C7RA00738H","","","0.71073","MoKα","","0.0251","0.022","","","0.05","0.0512","","","","","","1.043","","","","has coordinates","194471","2020-10-21","18:00:00",""
"7227925","12.3487","0.0003","14.3471","0.0004","10.0005","0.0003","90","","107.578","0.001","90","","1689.04","0.08","296","2","296","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C12 H18 Mn N2 O8 P2 -","- C12 H18 Mn N2 O8 P2 -","- C48 H72 Mn4 N8 O32 P8 -","4","0.5","","Demadis, Konstantinos D.; Anagnostou, Zafeiria; Panera, Aggeliki; Mezei, Gellert; Kirillova, Marina V.; Kirillov, Alexander M.","Three-component 1D and 2D metal phosphonates: structural variability, topological analysis and catalytic hydrocarboxylation of alkanes","RSC Adv.","2017","7","29","17788","","10.1039/C7RA00738H","","","0.71073","MoKα","","0.0321","0.0257","","","0.0711","0.0754","","","","","","1.042","","","","has coordinates","194471","2020-10-21","18:00:00",""
"7227926","5.5335","0.0002","10.6895","0.0003","12.6347","0.0004","95.967","0.002","90.237","0.002","103.332","0.002","722.96","0.04","296","2","296","2","","","","","","","","6","P -1","-P 1","2","","","","- C12 H14 N2 O6 P2 Zn -","- C12 H14 N2 O6 P2 Zn -","- C24 H28 N4 O12 P4 Zn2 -","2","1","","Demadis, Konstantinos D.; Anagnostou, Zafeiria; Panera, Aggeliki; Mezei, Gellert; Kirillova, Marina V.; Kirillov, Alexander M.","Three-component 1D and 2D metal phosphonates: structural variability, topological analysis and catalytic hydrocarboxylation of alkanes","RSC Adv.","2017","7","29","17788","","10.1039/C7RA00738H","","","0.71073","MoKα","","0.0347","0.0269","","","0.0587","0.0621","","","","","","1.055","","","","has coordinates","194471","2020-10-21","18:00:00",""
"7227927","7.2046","0.0001","19.6744","0.0002","13.6407","0.0001","90","","90","","90","","1933.52","0.04","297","2","297","2","","","","","","","","6","P n m a","-P 2ac 2n","62","","","","- C14 H22 N2 Ni O10 P2 -","- C14 H22 N2 Ni O10 P2 -","- C56 H88 N8 Ni4 O40 P8 -","4","0.5","","Demadis, Konstantinos D.; Anagnostou, Zafeiria; Panera, Aggeliki; Mezei, Gellert; Kirillova, Marina V.; Kirillov, Alexander M.","Three-component 1D and 2D metal phosphonates: structural variability, topological analysis and catalytic hydrocarboxylation of alkanes","RSC Adv.","2017","7","29","17788","","10.1039/C7RA00738H","","","0.71073","MoKα","","0.0302","0.0243","","","0.0607","0.0643","","","","","","1.067","","","","has coordinates,has disorder","194471","2020-10-21","18:00:00",""
"7227928","7.633","0.015","27.01","0.05","10.461","0.016","90","","125.38","0.1","90","","1758","6","296","2","296.15","","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C12 H14 N6 O8 S Zn -","- C12 H14 N6 O8 S Zn -","- C48 H56 N24 O32 S4 Zn4 -","4","1","","Zou, Bi-Qun; Lu, Xing; Qin, Qi-Pin; Bai, Yu-Xia; Zhang, Ye; Wang, Meng; Liu, Yan-Cheng; Chen, Zhen-Feng; Liang, Hong","Three novel transition metal complexes of 6-methyl-2-oxo-quinoline-3-carbaldehyde thiosemicarbazone: synthesis, crystal structure, cytotoxicity, and mechanism of action","RSC Adv.","2017","7","29","17923","","10.1039/C7RA00826K","","","0.71073","MoKα","","0.1461","0.1133","","","0.2895","0.3252","","","","","","1.431","","","","has coordinates","194497","2020-10-21","18:00:00",""
"7227929","8.5965","0.0008","10.0815","0.0009","12.1404","0.0014","110.051","0.002","95.727","0.001","90.148","0.001","982.69","0.17","298","2","298","2","","","","","","","","6","P -1","-P 1","2","","","","- C12 H16 Cu N6 O9 S -","- C12 H16 Cu N6 O9 S -","- C24 H32 Cu2 N12 O18 S2 -","2","1","","Zou, Bi-Qun; Lu, Xing; Qin, Qi-Pin; Bai, Yu-Xia; Zhang, Ye; Wang, Meng; Liu, Yan-Cheng; Chen, Zhen-Feng; Liang, Hong","Three novel transition metal complexes of 6-methyl-2-oxo-quinoline-3-carbaldehyde thiosemicarbazone: synthesis, crystal structure, cytotoxicity, and mechanism of action","RSC Adv.","2017","7","29","17923","","10.1039/C7RA00826K","","","0.71073","MoKα","","0.2048","0.1694","","","0.4316","0.4537","","","","","","1.705","","","","has coordinates,has disorder","194497","2020-10-21","18:00:00",""
"7227930","44.6818","0.0013","7.1241","0.0003","18.747","0.001","90","","111.205","0.0016","90","","5563.5","0.4","153","2","153","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","5-diphenylamino-2-(4-pyridinium)thiazole?THF","","- C30 H26 F3 N3 O3.5 S2 -","- C30 H26 F3 N3 O3.5 S2 -","- C240 H208 F24 N24 O28 S16 -","8","1","","Yamaguchi, Kirara; Murai, Toshiaki; Tsuchiya, Yuki; Miwa, Yohei; Kutsumizu, Shoichi; Sasamori, Takahiro; Tokitoh, Norihiro","Pyridinium 5-aminothiazoles: specific photophysical properties and vapochromism in halogenated solvents","RSC Adv.","2017","7","29","18132","","10.1039/C7RA01896G","","","0.71075","MoKα","","0.0892","0.0754","","","0.2127","0.2255","","","","","","1.077","","","","has coordinates,has disorder","194498","2020-10-21","18:00:00",""
"7227931","7.1453","0.0001","9.8932","0.0002","19.2696","0.0004","83.277","0.001","84.66","0.001","73.971","0.001","1297.57","0.04","103","2","103","2","","","","","","","","6","P -1","-P 1","2","","5-diphenylamino-2-(4-pyridinium)thiazole","","- C28 H22 F3 N3 O3 S2 -","- C28 H22 F3 N3 O3 S2 -","- C56 H44 F6 N6 O6 S4 -","2","1","","Yamaguchi, Kirara; Murai, Toshiaki; Tsuchiya, Yuki; Miwa, Yohei; Kutsumizu, Shoichi; Sasamori, Takahiro; Tokitoh, Norihiro","Pyridinium 5-aminothiazoles: specific photophysical properties and vapochromism in halogenated solvents","RSC Adv.","2017","7","29","18132","","10.1039/C7RA01896G","","","0.71075","MoKα","","0.0607","0.0517","","","0.135","0.1436","","","","","","1.025","","","","has coordinates,has disorder","194498","2020-10-21","18:00:00",""
"7227932","8.164","0.0004","12.4878","0.0006","16.1848","0.0008","90","","94.013","0.002","90","","1646","0.14","293","2","293","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C17 H13 Cl N2 O4 Y -","- C17 H13 Cl N2 O4 Y -","- C68 H52 Cl4 N8 O16 Y4 -","4","1","","Tan, Xiao-Feng; Zhou, Jian; Zou, Hua-Hong; Fu, Lianshe; Tang, Qiuling; Wang, Peng","A series of lanthanide glutarates: lanthanide contraction effect on crystal frameworks of lanthanide glutarates","RSC Adv.","2017","7","29","17934","","10.1039/C7RA01552F","","","0.71073","MoKα","","0.0411","0.0404","","","0.1307","0.1314","","","","","","1.127","","","","has coordinates","194499","2020-10-21","18:00:00",""
"7227933","8.8586","0.0018","13.565","0.003","16.392","0.003","84.12","0.03","83.86","0.03","75.14","0.03","1887.2","0.7","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C39 H34 Ce2 N4 O12 -","- C39 H34 Ce2 N4 O12 -","- C78 H68 Ce4 N8 O24 -","2","1","","Tan, Xiao-Feng; Zhou, Jian; Zou, Hua-Hong; Fu, Lianshe; Tang, Qiuling; Wang, Peng","A series of lanthanide glutarates: lanthanide contraction effect on crystal frameworks of lanthanide glutarates","RSC Adv.","2017","7","29","17934","","10.1039/C7RA01552F","","","0.71073","MoKα","","0.0348","0.0242","","","0.0539","0.0582","","","","","","1.065","","","","has coordinates","194499","2020-10-21","18:00:00",""
"7227934","9.076","0.002","9.867","0.003","16.303","0.004","103.349","0.016","104.11","0.009","98.526","0.01","1344.9","0.6","293","2","293","2","","","","","","","","4","P -1","-P 1","2","","","","- C15 H34 La2 O20 -","- C15 H34 La2 O20 -","- C30 H68 La4 O40 -","2","1","","Tan, Xiao-Feng; Zhou, Jian; Zou, Hua-Hong; Fu, Lianshe; Tang, Qiuling; Wang, Peng","A series of lanthanide glutarates: lanthanide contraction effect on crystal frameworks of lanthanide glutarates","RSC Adv.","2017","7","29","17934","","10.1039/C7RA01552F","","","0.71073","MoKα","","0.0296","0.0281","","","0.0769","0.0791","","","","","","1.18","","","","has coordinates","194499","2020-10-21","18:00:00",""
"7227935","8.7671","0.0005","13.4002","0.0007","16.4124","0.0011","83.911","0.002","84.424","0.002","75.048","0.002","1847.46","0.19","297","2","297","2","","","","","","","","5","P -1","-P 1","2","","","","- C39 H34 Ho2 N4 O12 -","- C39 H34 Ho2 N4 O12 -","- C78 H68 Ho4 N8 O24 -","2","1","","Tan, Xiao-Feng; Zhou, Jian; Zou, Hua-Hong; Fu, Lianshe; Tang, Qiuling; Wang, Peng","A series of lanthanide glutarates: lanthanide contraction effect on crystal frameworks of lanthanide glutarates","RSC Adv.","2017","7","29","17934","","10.1039/C7RA01552F","","","0.71073","MoKα","","0.0768","0.0342","","","0.045","0.0532","","","","","","0.959","","","","has coordinates","194499","2020-10-21","18:00:00",""
"7227936","8.1381","0.0011","12.4629","0.0016","16.161","0.003","90","","94.034","0.005","90","","1635.1","0.4","297","2","297","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C17 H14 Cl N2 O4 Tm -","- C17 H14 Cl N2 O4 Tm -","- C68 H56 Cl4 N8 O16 Tm4 -","4","1","","Tan, Xiao-Feng; Zhou, Jian; Zou, Hua-Hong; Fu, Lianshe; Tang, Qiuling; Wang, Peng","A series of lanthanide glutarates: lanthanide contraction effect on crystal frameworks of lanthanide glutarates","RSC Adv.","2017","7","29","17934","","10.1039/C7RA01552F","","","0.71073","MoKα","","0.1023","0.0429","","","0.0594","0.0719","","","","","","0.95","","","","has coordinates","194499","2020-10-21","18:00:00",""
"7227937","8.7895","0.0004","13.4391","0.0007","16.4098","0.0009","83.909","0.002","84.34","0.002","74.984","0.002","1856.5","0.16","300","2","300","2","","","","","","","","5","P -1","-P 1","2","","","","- C39 H34 N4 O12 Tb2 -","- C39 H34 N4 O12 Tb2 -","- C78 H68 N8 O24 Tb4 -","2","1","","Tan, Xiao-Feng; Zhou, Jian; Zou, Hua-Hong; Fu, Lianshe; Tang, Qiuling; Wang, Peng","A series of lanthanide glutarates: lanthanide contraction effect on crystal frameworks of lanthanide glutarates","RSC Adv.","2017","7","29","17934","","10.1039/C7RA01552F","","","0.71073","MoKα","","0.0722","0.0334","","","0.0487","0.0561","","","","","","0.963","","","","has coordinates","194499","2020-10-21","18:00:00",""
"7227938","9.6046","0.0004","10.6651","0.0005","14.3071","0.0006","90","","100.53","0.003","90","","1440.85","0.11","296","1","296","1","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","","","- C17 H16 N4 -","- C17 H16 N4 -","- C68 H64 N16 -","4","1","","Meti, Puttavva; Lee, Eun-Sil; Yang, Jung-Won; Gong, Young-Dae","Regioselective synthesis of dipyrrolopyrazine (DPP) derivatives via metal free and metal catalyzed amination and investigation of their optical and thermal properties","RSC Adv.","2017","7","29","18120","","10.1039/C7RA01795B","","","0.71073","MoKα","","0.0793","0.0597","","","0.1485","0.1617","","","","","","1.123","","","","has coordinates","194500","2020-10-21","18:00:00",""
"7227939","10.6893","0.0019","13.959","0.002","14.063","0.002","70.144","0.01","70.634","0.01","89.661","0.011","1848.4","0.5","273","2","273","2","","","","","","","","6","P -1","-P 1","2","","","","- C52 H50 N14 O32 Ru2 W10 -","- C52 H50 N14 O32 Ru2 W10 -","- C52 H50 N14 O32 Ru2 W10 -","1","0.5","","Wang, Shugai; Xing, Songzhu; Shi, Zhuolin; He, Jiachen; Han, Qiuxia; Li, Mingxue","Electrostatic polypyridine‒ruthenium(ii)⋯decatungstate dyads: structures, characterizations and photodegradation of dye","RSC Adv.","2017","7","29","18024","","10.1039/C7RA01342F","","","0.71073","MoKα","","0.0474","0.033","","","0.0796","0.0851","","","","","","1.001","","","","has coordinates","194501","2020-10-21","18:00:00",""
"7227940","20.5261","0.001","9.0318","0.0005","10.5375","0.0006","90","","90","","90","","1953.52","0.18","293","2","293","2","","","","","","","","6","P 21 21 2","P 2 2ab","18","Isoquinoline","4-Carbomethoxy-7-(4-chlorophenylamino)-6-bromo-3-bromoethyl-1-methyl-5,8-dioxo-5,8-dihydroisoquinoline","","- C19 H13 Br2 Cl N2 O4 -","- C19 H13 Br2 Cl N2 O4 -","- C76 H52 Br8 Cl4 N8 O16 -","4","1","","Novais, Juliana S.; Campos, Vinicius R.; Silva, Ana Carolina J. A.; de Souza, Maria C. B. V.; Ferreira, Vitor F.; Keller, Vitor G. L.; Ferreira, Matheus O.; Dias, Flaviana R. F.; Vitorino, Maíra I.; Sathler, Plínio C.; Santana, Marcos V.; Resende, Jackson A. L. C.; Castro, Helena C.; Cunha, Anna C.","Synthesis and antimicrobial evaluation of promising 7-arylamino-5,8-dioxo-5,8-dihydroisoquinoline-4-carboxylates and their halogenated amino compounds for treating Gram-negative bacterial infections","RSC Adv.","2017","7","30","18311","","10.1039/C7RA00825B","","x-ray","0.71073","MoKα","","0.0917","0.052","","","0.1117","0.1267","","","","","","1.005","","","","has coordinates","194557","2020-10-21","18:00:00",""
"7227941","14.56","0.003","10.207","0.002","25.11","0.005","90","","102.18","0.03","90","","3647.7","1.3","298","2","298","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","Isoquinoline","4-Carbomethoxy-7-(4-chlorophenylamino)-6-bromo-1,3-dimethyl-5,8-dioxo-5,8-dihydroisoquinoline","","- C19 H14 Br Cl N2 O4 -","- C19 H14 Br Cl N2 O4 -","- C152 H112 Br8 Cl8 N16 O32 -","8","1","","Novais, Juliana S.; Campos, Vinicius R.; Silva, Ana Carolina J. A.; de Souza, Maria C. B. V.; Ferreira, Vitor F.; Keller, Vitor G. L.; Ferreira, Matheus O.; Dias, Flaviana R. F.; Vitorino, Maíra I.; Sathler, Plínio C.; Santana, Marcos V.; Resende, Jackson A. L. C.; Castro, Helena C.; Cunha, Anna C.","Synthesis and antimicrobial evaluation of promising 7-arylamino-5,8-dioxo-5,8-dihydroisoquinoline-4-carboxylates and their halogenated amino compounds for treating Gram-negative bacterial infections","RSC Adv.","2017","7","30","18311","","10.1039/C7RA00825B","","x-ray","0.71073","MoKα","","0.0987","0.0507","","","0.1128","0.1283","","","","","","0.938","","","","has coordinates","194557","2020-10-21","18:00:00",""
"7227942","11.806","0.0004","13.343","0.0004","15.4244","0.0005","90","","91.18","0.001","90","","2429.25","0.14","150","2","150","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","alonnphcl","LBu-AlMe2","","- C24 H32 Al Cl N2 O -","- C24 H32 Al Cl N2 O -","- C96 H128 Al4 Cl4 N8 O4 -","4","1","","Hsu, Chiao-Yin; Tseng, Hsi-Ching; Vandavasi, Jaya Kishore; Lu, Wei-Yi; Wang, Li-Fang; Chiang, Michael Y.; Lai, Yi-Chun; Chen, Hsing-Yin; Chen, Hsuan-Ying","Investigation of the dinuclear effect of aluminum complexes in the ring-opening polymerization of ε-caprolactone","RSC Adv.","2017","7","31","18851","","10.1039/C7RA02136D","","","0.71073","MoKα","","0.0543","0.0405","","","0.1088","0.1225","","","","","","1.008","","","","has coordinates","194575","2020-10-21","18:00:00",""
"7227943","5.7071","0.0011","7.8905","0.0016","15.868","0.003","90","","97.78","0.03","90","","708","0.2","293","2","293","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C16 H14 O6 Zn -","- C16 H14 O6 Zn -","- C32 H28 O12 Zn2 -","2","1","","Huang, Ji-Han; Hou, Guang-Feng; Ma, Dong-Sheng; Yu, Ying-Hui; Jiang, Wen-Hong; Huang, Qi; Gao, Jin-Sheng","Two pairs of Zn(ii) coordination polymer enantiomers based on chiral aromatic polycarboxylate ligands: synthesis, crystal structures and properties","RSC Adv.","2017","7","30","18650","","10.1039/C7RA00337D","","","0.71073","MoKα","","0.0419","0.0354","","","0.0915","0.1064","","","","","","1.107","","","","has coordinates","194576","2020-10-21","18:00:00",""
"7227944","5.6961","0.0011","7.8959","0.0016","15.87","0.003","90","","97.98","0.03","90","","706.9","0.2","293","2","293","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C16 H14 O6 Zn -","- C16 H14 O6 Zn -","- C32 H28 O12 Zn2 -","2","1","","Huang, Ji-Han; Hou, Guang-Feng; Ma, Dong-Sheng; Yu, Ying-Hui; Jiang, Wen-Hong; Huang, Qi; Gao, Jin-Sheng","Two pairs of Zn(ii) coordination polymer enantiomers based on chiral aromatic polycarboxylate ligands: synthesis, crystal structures and properties","RSC Adv.","2017","7","30","18650","","10.1039/C7RA00337D","","","0.71073","MoKα","","0.0302","0.0274","","","0.0609","0.0627","","","","","","1.076","","","","has coordinates","194576","2020-10-21","18:00:00",""
"7227945","6.0565","0.0012","7.3687","0.0015","15.825","0.003","90","","96.6","0.03","90","","701.6","0.2","293","2","293","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C14 H14 O7 Zn -","- C14 H14 O7 Zn -","- C28 H28 O14 Zn2 -","2","1","","Huang, Ji-Han; Hou, Guang-Feng; Ma, Dong-Sheng; Yu, Ying-Hui; Jiang, Wen-Hong; Huang, Qi; Gao, Jin-Sheng","Two pairs of Zn(ii) coordination polymer enantiomers based on chiral aromatic polycarboxylate ligands: synthesis, crystal structures and properties","RSC Adv.","2017","7","30","18650","","10.1039/C7RA00337D","","","0.71073","MoKα","","0.0274","0.0254","","","0.0567","0.0575","","","","","","1.088","","","","has coordinates","194576","2020-10-21","18:00:00",""
"7227946","6.045","0.005","7.363","0.005","15.846","0.005","90","0.005","96.636","0.005","90","0.005","700.6","0.8","293","2","293","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C14 H14 O7 Zn -","- C14 H14 O7 Zn -","- C28 H28 O14 Zn2 -","2","1","","Huang, Ji-Han; Hou, Guang-Feng; Ma, Dong-Sheng; Yu, Ying-Hui; Jiang, Wen-Hong; Huang, Qi; Gao, Jin-Sheng","Two pairs of Zn(ii) coordination polymer enantiomers based on chiral aromatic polycarboxylate ligands: synthesis, crystal structures and properties","RSC Adv.","2017","7","30","18650","","10.1039/C7RA00337D","","","0.71069","MoKα","","0.0445","0.0428","","","0.1247","0.1271","","","","","","1.079","","","","has coordinates","194576","2020-10-21","18:00:00",""
"7227947","10.4656","0.0004","13.8598","0.0005","11.2698","0.0004","90","","110.768","0.001","90","","1528.48","0.1","100","2","100","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C30 H38 N4 O6 P2 -","- C30 H38 N4 O6 P2 -","- C60 H76 N8 O12 P4 -","2","0.5","","Gholivand, Khodayar; Hosseini, Mahdieh; Ebrahimi valmoozi, Ali Asghar; Farshadfar, Kaveh","Polymorphism, Pseudo-polymorphism, and Conformerism in the Crystal Structure of Piperazine-N,N’-bis(N,O-diphenyl phosphoramidate)","CrystEngComm","2017","","","","","10.1039/C7CE00039A","","","0.71073","MoKα","","0.0631","0.0491","","","0.1184","0.1284","","","","","","1.05","","","","has coordinates,has disorder","194631","2020-10-21","18:00:00",""
"7227948","9.422","0.003","10.045","0.003","14.165","0.004","90","","94.264","0.005","90","","1336.9","0.7","150","2","150","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C28 H30 N4 O4 P2 -","- C28 H30 N4 O4 P2 -","- C56 H60 N8 O8 P4 -","2","0.5","","Gholivand, Khodayar; Hosseini, Mahdieh; Ebrahimi valmoozi, Ali Asghar; Farshadfar, Kaveh","Polymorphism, Pseudo-polymorphism, and Conformerism in the Crystal Structure of Piperazine-N,N’-bis(N,O-diphenyl phosphoramidate)","CrystEngComm","2017","","","","","10.1039/C7CE00039A","","","0.71073","MoKα","","0.0621","0.0427","","","0.1029","0.1172","","","","","","0.968","","","","has coordinates","194631","2020-10-21","18:00:00",""
"7227949","12.9321","0.0004","19.0714","0.0006","21.9285","0.0007","90","","90","","90","","5408.3","0.3","100","2","100","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C28 H30 N4 O4 P2 -","- C28 H30 N4 O4 P2 -","- C224 H240 N32 O32 P16 -","8","2","","Gholivand, Khodayar; Hosseini, Mahdieh; Ebrahimi valmoozi, Ali Asghar; Farshadfar, Kaveh","Polymorphism, Pseudo-polymorphism, and Conformerism in the Crystal Structure of Piperazine-N,N’-bis(N,O-diphenyl phosphoramidate)","CrystEngComm","2017","","","","","10.1039/C7CE00039A","","","0.71073","MoKα","","0.0393","0.032","","","0.0844","0.09","","","","","","1.065","","","","has coordinates","194631","2020-10-21","18:00:00",""
"7227950","7.752","0.006","6.391","0.005","8.702","0.008","90","","116.05","0.04","90","","387.3","0.6","296","2","296","2","","","","","","","","4","C 1 2/m 1","-C 2y","12","","","","- C2 H6 N8 O4 -","- C2 H6 N8 O4 -","- C4 H12 N16 O8 -","2","0.25","","Yu, Yuehai; Chen, Shusen; Li, Xin; Jin, Shaohua; Li, Lijie; Zhang, Guangyuan; Ma, Xiao; Shu, Qinghai","The novel compound dimethylamine-5,5′-bistetrazole-1,1′-diolate: crystal structure, thermal investigation, safety evaluation and theoretical studies","RSC Adv.","2017","7","30","18523","","10.1039/C7RA00908A","","","0.71073","MoKα","","0.1079","0.1036","","","0.3082","0.3191","","","","","","1.505","","","","has coordinates","194635","2020-10-21","18:00:00",""
"7227951","4.864","0.004","25.342","0.02","6.732","0.005","90","","100.365","0.009","90","","816.3","1.1","153","2","153","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C6 H16 N18 O6 -","- C6 H16 N18 O6 -","- C12 H32 N36 O12 -","2","0.5","","Yu, Yuehai; Chen, Shusen; Li, Xin; Jin, Shaohua; Li, Lijie; Zhang, Guangyuan; Ma, Xiao; Shu, Qinghai","The novel compound dimethylamine-5,5′-bistetrazole-1,1′-diolate: crystal structure, thermal investigation, safety evaluation and theoretical studies","RSC Adv.","2017","7","30","18523","","10.1039/C7RA00908A","","","0.71073","MoKα","","0.13","0.1042","","","0.2663","0.2781","","","","","","0.998","","","","has coordinates,has disorder","198632","2020-10-21","18:00:00",""
"7227952","11.8521","0.0011","12.22","0.0012","14.6694","0.0015","68.971","0.009","68.595","0.009","61.417","0.01","1692.3","0.3","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C38 H27 Cd2 N5 O9 -","- C38 H27 Cd2 N5 O9 -","- C76 H54 Cd4 N10 O18 -","2","1","","Guo, Xiao-Yu; Zhao, Fei; Liu, Hou-Ting; Wang, Yan-Qin; Liu, Zhi-Liang; Gao, En-Qing","Five new 2D and 3D coordination polymers based on two new multifunctional pyridyl‒tricarboxylate ligands: hydrothermal syntheses, structural diversity, luminescent and magnetic properties","RSC Adv.","2017","7","31","19039","","10.1039/C7RA02063E","","","0.71073","MoKα","","0.0891","0.0546","","","0.0973","0.1248","","","","","","1.035","","","","has coordinates","194637","2020-10-21","18:00:00",""
"7227953","18.48","0.002","9.4446","0.0009","8.0006","0.0007","90","","99.263","0.003","90","","1378.2","0.2","273","2","273","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C14 H11 Co N O8 -","- C14 H11 Co N O8 -","- C56 H44 Co4 N4 O32 -","4","1","","Guo, Xiao-Yu; Zhao, Fei; Liu, Hou-Ting; Wang, Yan-Qin; Liu, Zhi-Liang; Gao, En-Qing","Five new 2D and 3D coordination polymers based on two new multifunctional pyridyl‒tricarboxylate ligands: hydrothermal syntheses, structural diversity, luminescent and magnetic properties","RSC Adv.","2017","7","31","19039","","10.1039/C7RA02063E","","","0.71073","MoKα","","0.0261","0.024","","","0.062","0.063","","","","","","1.1","","","","has coordinates","194637","2020-10-21","18:00:00",""
"7227954","7.1966","0.0005","10.3116","0.0006","12.2101","0.0008","102.745","0.002","101.788","0.002","92.055","0.002","862.02","0.1","273","2","273","2","","","","","","","","5","P -1","-P 1","2","","","","- C28 H36 Co3 N2 O24 -","- C28 H36 Co3 N2 O24 -","- C28 H36 Co3 N2 O24 -","1","0.5","","Guo, Xiao-Yu; Zhao, Fei; Liu, Hou-Ting; Wang, Yan-Qin; Liu, Zhi-Liang; Gao, En-Qing","Five new 2D and 3D coordination polymers based on two new multifunctional pyridyl‒tricarboxylate ligands: hydrothermal syntheses, structural diversity, luminescent and magnetic properties","RSC Adv.","2017","7","31","19039","","10.1039/C7RA02063E","","","0.71073","MoKα","","0.0291","0.0254","","","0.0614","0.0629","","","","","","1.064","","","","has coordinates","194637","2020-10-21","18:00:00",""
"7227955","15.7203","0.001","13.1516","0.0009","6.1682","0.0004","90","","90","","90","","1275.26","0.15","293","2","293","2","","","","","","","","5","P c a 21","P 2c -2ac","29","","","","- C14 H7 N O6 Zn -","- C14 H7 N O6 Zn -","- C56 H28 N4 O24 Zn4 -","4","1","","Guo, Xiao-Yu; Zhao, Fei; Liu, Hou-Ting; Wang, Yan-Qin; Liu, Zhi-Liang; Gao, En-Qing","Five new 2D and 3D coordination polymers based on two new multifunctional pyridyl‒tricarboxylate ligands: hydrothermal syntheses, structural diversity, luminescent and magnetic properties","RSC Adv.","2017","7","31","19039","","10.1039/C7RA02063E","","","1.54184","CuKα","","0.0625","0.0481","","","0.1165","0.1318","","","","","","1.083","","","","has coordinates","194637","2020-10-21","18:00:00",""
"7227956","9.633","0.001","10.6019","0.0009","11.2826","0.001","96.503","0.007","104.988","0.008","104.111","0.008","1060.2","0.19","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C48 H32 Mn3 N6 O14 -","- C48 H32 Mn3 N6 O14 -","- C48 H32 Mn3 N6 O14 -","1","0.5","","Guo, Xiao-Yu; Zhao, Fei; Liu, Hou-Ting; Wang, Yan-Qin; Liu, Zhi-Liang; Gao, En-Qing","Five new 2D and 3D coordination polymers based on two new multifunctional pyridyl‒tricarboxylate ligands: hydrothermal syntheses, structural diversity, luminescent and magnetic properties","RSC Adv.","2017","7","31","19039","","10.1039/C7RA02063E","","","1.54184","CuKα","","0.0862","0.0559","","","0.122","0.1405","","","","","","1.025","","","","has coordinates","194637","2020-10-21","18:00:00",""
"7227957","12.485","0.003","13.08","0.003","23.566","0.005","90","","90","","90","","3848.4","1.5","293","2","293","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C18 H21 Bi2 I9 N6 O0 -","- C18 H21 Bi2 I9 N6 -","- C72 H84 Bi8 I36 N24 -","4","1","","Wang, Rong-Yan; Zhang, Xiao; Huo, Qi-Sheng; Yu, Jie-Hui; Xu, Ji-Qing","New discrete iodometallates with in situ generated triimidazole derivatives as countercations (Mn+ = Ag+, Pb2+, Bi3+)","RSC Adv.","2017","7","31","19073","","10.1039/C6RA27510A","","","0.71073","MoKα","","0.0526","0.0382","","","0.0665","0.0705","","","","","","1.04","","","","has coordinates","194638","2020-10-21","18:00:00",""
"7227958","11.2094","0.0003","13.2371","0.0004","21.8384","0.0005","90","","92.965","0.002","90","","3236.04","0.15","293","2","293","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C36 H42 Ag6 Br0 I12 N12 O0 -","- C36 H42 Ag6 I12 N12 -","- C72 H84 Ag12 I24 N24 -","2","0.5","","Wang, Rong-Yan; Zhang, Xiao; Huo, Qi-Sheng; Yu, Jie-Hui; Xu, Ji-Qing","New discrete iodometallates with in situ generated triimidazole derivatives as countercations (Mn+ = Ag+, Pb2+, Bi3+)","RSC Adv.","2017","7","31","19073","","10.1039/C6RA27510A","","","0.71073","MoKα","","0.0552","0.0343","","","0.0736","0.081","","","","","","0.979","","","","has coordinates","194638","2020-10-21","18:00:00",""
"7227959","12.496","0.003","20.569","0.004","12.634","0.003","90","","100.16","0.03","90","","3196.4","1.3","293","2","293","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C36 H46 I12 N12 O2 Pb3 -","- C36 H42 I12 N12 O2 Pb3 -","- C72 H84 I24 N24 O4 Pb6 -","2","0.5","","Wang, Rong-Yan; Zhang, Xiao; Huo, Qi-Sheng; Yu, Jie-Hui; Xu, Ji-Qing","New discrete iodometallates with in situ generated triimidazole derivatives as countercations (Mn+ = Ag+, Pb2+, Bi3+)","RSC Adv.","2017","7","31","19073","","10.1039/C6RA27510A","","","0.71073","MoKα","","0.0797","0.0492","","","0.0838","0.0926","","","","","","1.05","","","","has coordinates","194638","2020-10-21","18:00:00",""
"7227960","14.09","0.002","14.09","0.002","31.201","0.006","90","","90","","120","","5364.4","1.5","293","2","293","2","","","","","","","","6","R -3 :H","-R 3","148","","","","- C36 H42 Ag8 I14 N12 O0 -","- C36 H42 Ag8 I14 N12 -","- C108 H126 Ag24 I42 N36 -","3","0.166667","","Wang, Rong-Yan; Zhang, Xiao; Huo, Qi-Sheng; Yu, Jie-Hui; Xu, Ji-Qing","New discrete iodometallates with in situ generated triimidazole derivatives as countercations (Mn+ = Ag+, Pb2+, Bi3+)","RSC Adv.","2017","7","31","19073","","10.1039/C6RA27510A","","","0.71073","MoKα","","0.0484","0.0417","","","0.0925","0.0954","","","","","","1.094","","","","has coordinates","194638","2020-10-21","18:00:00",""
"7227961","15.887","0.0016","5.9848","0.0006","13.8225","0.0014","90","","93.469","0.005","90","","1311.8","0.2","298","2","298.15","","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","(AN2690)(ina)","5-fluoro-1,3-dihydro-1-hydroxy-2,1-benzoxaborole, isonicotinamide","","- C13 H12 B F N2 O3 -","- C13 H12 B F N2 O3 -","- C52 H48 B4 F4 N8 O12 -","4","1","","Campillo-Alvarado, Gonzalo; Staudt, Colton; Bak, Melissa; MacGillivray, Len R.","Generation of cocrystals of Tavaborole (AN2690): opportunities for boron-containing APIs","CrystEngComm","2017","","","","","10.1039/C7CE00314E","","","0.71073","MoKα","","0.0794","0.0468","","","0.117","0.1346","","","","","","1.069","","","","has coordinates","194677","2020-10-21","18:00:00",""
"7227962","15.0294","0.0015","5.9476","0.0006","14.5384","0.0015","90","","110.69","0.005","90","","1215.8","0.2","298","2","298.15","","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","2(AN2690)(bpeta)","5-fluoro-1,3-dihydro-1-hydroxy-2,1-benzoxaborole, 1,2-bis(4-pyridyl)ethane","","- C26 H24 B2 F2 N2 O4 -","- C26 H24 B2 F2 N2 O4 -","- C52 H48 B4 F4 N4 O8 -","2","0.5","","Campillo-Alvarado, Gonzalo; Staudt, Colton; Bak, Melissa; MacGillivray, Len R.","Generation of cocrystals of Tavaborole (AN2690): opportunities for boron-containing APIs","CrystEngComm","2017","","","","","10.1039/C7CE00314E","","","0.71073","MoKα","","0.0599","0.0467","","","0.1319","0.1443","","","","","","1.02","","","","has coordinates","194677","2020-10-21","18:00:00",""
"7227963","14.8742","0.0015","5.9305","0.0006","14.3285","0.0014","90","","109.171","0.005","90","","1193.8","0.2","298","","298.15","","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","2(AN2690)(bpe)","5-fluoro-1,3-dihydro-1-hydroxy-2,1-benzoxaborole, 1,2-bis(4-pyridyl)ethylene","","- C26 H22 B2 F2 N2 O4 -","- C26 H22 B2 F2 N2 O4 -","- C52 H44 B4 F4 N4 O8 -","2","0.5","","Campillo-Alvarado, Gonzalo; Staudt, Colton; Bak, Melissa; MacGillivray, Len R.","Generation of cocrystals of Tavaborole (AN2690): opportunities for boron-containing APIs","CrystEngComm","2017","","","","","10.1039/C7CE00314E","","","0.71073","MoKα","","0.0484","0.0374","","","0.1067","0.1186","","","","","","0.999","","","","has coordinates","194677","2020-10-21","18:00:00",""
"7227964","14.5378","0.0015","6.0517","0.0006","14.4276","0.0014","90","","118.366","0.005","90","","1116.9","0.2","298","2","298.15","","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","2(AN2690)(bpy)","5-fluoro-1,3-dihydro-1-hydroxy-2,1-benzoxaborole, 4,4'-bipyridine","","- C24 H20 B2 F2 N2 O4 -","- C24 H20 B2 F2 N2 O4 -","- C48 H40 B4 F4 N4 O8 -","2","0.5","","Campillo-Alvarado, Gonzalo; Staudt, Colton; Bak, Melissa; MacGillivray, Len R.","Generation of cocrystals of Tavaborole (AN2690): opportunities for boron-containing APIs","CrystEngComm","2017","","","","","10.1039/C7CE00314E","","","0.71073","MoKα","","0.0595","0.0413","","","0.1033","0.1153","","","","","","1.088","","","","has coordinates","194677","2020-10-21","18:00:00",""
"7227965","14.8042","0.0004","16.9788","0.0004","17.5636","0.0006","99.169","0.002","104.186","0.003","101.157","0.002","4098.8","0.2","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C91 H94 N8 O19 Zn3 -","- C91 H94 N8 O19 Zn3 -","- C182 H188 N16 O38 Zn6 -","2","1","","Chen, Dong-Hui; Lin, Ling; Sheng, Tianlu; Wen, Yuehong; Hu, Shengmin; Fu, Ruibiao; Zhuo, Chao; Li, Haoran; Wu, Xintao","Syntheses, structures and luminescence properties of five coordination polymers based on designed 2,7-bis(4-benzoic acid)-N-(4-benzoic acid) carbazole","CrystEngComm","2017","","","","","10.1039/C7CE00361G","","","1.54178","CuKα","","0.0928","0.0736","","","0.2125","0.2274","","","","","","1.099","","","","has coordinates","194678","2020-10-21","18:00:00",""
"7227966","15.8325","0.0019","22.884","0.003","36.596","0.005","90","","97.523","0.002","90","","13145","3","293","2","293","2","","","","","","","","5","P 1 n 1","P -2yac","7","","","","- C278 H276 Cd9 N25 O62 -","- C278 H275 Cd9 N25 O62 -","- C556 H550 Cd18 N50 O124 -","2","1","","Chen, Dong-Hui; Lin, Ling; Sheng, Tianlu; Wen, Yuehong; Hu, Shengmin; Fu, Ruibiao; Zhuo, Chao; Li, Haoran; Wu, Xintao","Syntheses, structures and luminescence properties of five coordination polymers based on designed 2,7-bis(4-benzoic acid)-N-(4-benzoic acid) carbazole","CrystEngComm","2017","","","","","10.1039/C7CE00361G","","","0.71073","MoKα","","0.0564","0.0519","","","0.1315","0.1363","","","","","","1.107","","","","has coordinates","194678","2020-10-21","18:00:00",""
"7227967","30.057","0.006","16.187","0.003","21.894","0.004","90","","114.478","0.003","90","","9695","3","293","2","293","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C74 H54 N4 O14 Zn3 -","- C74 H54 N4 O14 Zn3 -","- C296 H216 N16 O56 Zn12 -","4","0.5","","Chen, Dong-Hui; Lin, Ling; Sheng, Tianlu; Wen, Yuehong; Hu, Shengmin; Fu, Ruibiao; Zhuo, Chao; Li, Haoran; Wu, Xintao","Syntheses, structures and luminescence properties of five coordination polymers based on designed 2,7-bis(4-benzoic acid)-N-(4-benzoic acid) carbazole","CrystEngComm","2017","","","","","10.1039/C7CE00361G","","","0.71073","MoKα","","0.0583","0.0495","","","0.1449","0.1517","","","","","","1.083","","","","has coordinates","194678","2020-10-21","18:00:00",""
"7227968","11.151","0.004","14.724","0.005","15.569","0.005","63.18","0.012","71.118","0.014","79.302","0.017","2156.1","1.3","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C45 H47 Cd1.5 N4 O10 -","- C45 H47 Cd1.5 N4 O10 -","- C90 H94 Cd3 N8 O20 -","2","1","","Chen, Dong-Hui; Lin, Ling; Sheng, Tianlu; Wen, Yuehong; Hu, Shengmin; Fu, Ruibiao; Zhuo, Chao; Li, Haoran; Wu, Xintao","Syntheses, structures and luminescence properties of five coordination polymers based on designed 2,7-bis(4-benzoic acid)-N-(4-benzoic acid) carbazole","CrystEngComm","2017","","","","","10.1039/C7CE00361G","","","0.71073","MoKα","","0.0478","0.0429","","","0.1379","0.1418","","","","","","1.048","","","","has coordinates","194678","2020-10-21","18:00:00",""
"7227969","14.6832","0.0005","15.5902","0.0006","19.356","0.0003","83.727","0.005","81.479","0.005","87.507","0.006","4354","0.2","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C90 H98 N8 O22 Zn3 -","- C90 H94 N8 O22 Zn3 -","- C180 H188 N16 O44 Zn6 -","2","1","","Chen, Dong-Hui; Lin, Ling; Sheng, Tianlu; Wen, Yuehong; Hu, Shengmin; Fu, Ruibiao; Zhuo, Chao; Li, Haoran; Wu, Xintao","Syntheses, structures and luminescence properties of five coordination polymers based on designed 2,7-bis(4-benzoic acid)-N-(4-benzoic acid) carbazole","CrystEngComm","2017","","","","","10.1039/C7CE00361G","","","0.71073","MoKα","","0.0795","0.0699","","","0.2137","0.2252","","","","","","1.105","","","","has coordinates","194678","2020-10-21","18:00:00",""
"7227970","10.7451","0.0011","5.1443","0.0005","10.5886","0.001","90","","93.357","0.001","90","","584.29","0.1","296.15","","298.15","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C8 H8 O6 P2 Zn2 -","- C8 H8 O6 P2 Zn2 -","- C16 H16 O12 P4 Zn4 -","2","0.5","","Zhang, Li; Li, Sanying; Liu, Lei; Dong, Jinxiang; Lin, Zhi","Four new zinc (II) diphosphonates obtained via an ionothermal route: crystal structures and phase transformation behaviour","CrystEngComm","2017","","","","","10.1039/C7CE00400A","","","0.71073","MoKα","","0.0538","0.0459","","","0.1234","0.1316","","","","","","1.035","","","","has coordinates","194679","2020-10-21","18:00:00",""
"7227971","22.259","0.002","5.8452","0.0006","4.9451","0.0004","90","","90","","90","","643.4","0.1","298","2","298.15","","","","","","","","","5","P n m a","-P 2ac 2n","62","","","","- C8 H12 O8 P2 Zn2 -","- C8 H12 O8 P2 Zn2 -","- C16 H24 O16 P4 Zn4 -","2","0.25","","Zhang, Li; Li, Sanying; Liu, Lei; Dong, Jinxiang; Lin, Zhi","Four new zinc (II) diphosphonates obtained via an ionothermal route: crystal structures and phase transformation behaviour","CrystEngComm","2017","","","","","10.1039/C7CE00400A","","","0.71073","MoKα","","0.0627","0.058","","","0.1474","0.1503","","","","","","1.093","","","","has coordinates","194679","2020-10-21","18:00:00",""
"7227972","13.1036","0.0012","22.262","0.002","8.5052","0.0008","90","","90","","90","","2481.1","0.4","298","2","298.15","","","","","","","","","6","P c c n","-P 2ab 2ac","56","","","","- C16 H20 Na2 O14 P4 Zn3 -","- C16 H20 Na2 O14 P4 Zn3 -","- C64 H80 Na8 O56 P16 Zn12 -","4","0.5","","Zhang, Li; Li, Sanying; Liu, Lei; Dong, Jinxiang; Lin, Zhi","Four new zinc (II) diphosphonates obtained via an ionothermal route: crystal structures and phase transformation behaviour","CrystEngComm","2017","","","","","10.1039/C7CE00400A","","","0.71073","MoKα","","0.0384","0.0298","","","0.0789","0.0824","","","","","","1.046","","","","has coordinates","194679","2020-10-21","18:00:00",""
"7227973","20.9501","0.0018","5.2845","0.0004","23.55","0.002","90","","93.373","0.001","90","","2602.7","0.4","298","2","298.15","","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C16 H24 Na2 O15 P4 Zn2 -","- C16 H22 Na2 O15 P4 Zn2 -","- C64 H88 Na8 O60 P16 Zn8 -","4","0.5","","Zhang, Li; Li, Sanying; Liu, Lei; Dong, Jinxiang; Lin, Zhi","Four new zinc (II) diphosphonates obtained via an ionothermal route: crystal structures and phase transformation behaviour","CrystEngComm","2017","","","","","10.1039/C7CE00400A","","","0.71073","MoKα","","0.0669","0.0434","","","0.0939","0.103","","","","","","1.056","","","","has coordinates","194679","2020-10-21","18:00:00",""
"7227974","10.8895","0.0002","15.6795","0.0004","16.3632","0.0003","99.4445","0.0018","93.0501","0.0015","93.7936","0.0017","2744.14","0.1","100","2","100","2","","","","","","","","6","P -1","-P 1","2","","","","- C26.5 H31 Cl I N5 Pt -","- C26.5 H31 Cl I N5 Pt -","- C106 H124 Cl4 I4 N20 Pt4 -","4","2","","Novikov, Alexander S.; Ivanov, Daniil M.; Avdontceva, Margarita S.; Kukushkin, Vadim Yu.","Diiodomethane as Halogen Bond Donor toward Metal-bound Halides","CrystEngComm","2017","","","","","10.1039/C7CE00346C","","","0.71073","MoKα","","0.0398","0.0289","","","0.0625","0.0673","","","","","","1.039","","","","has coordinates","203412","2020-10-21","18:00:00",""
"7227975","36.424","0.005","17.532","0.002","13.651","0.0018","90","","93.591","0.004","90","","8700.2","1.9","223","2","223","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C72 H97 Cs N24 O35 -","- C72 H72 Cs N24 O25 -","- C288 H288 Cs4 N96 O100 -","4","0.5","","Shen, Feng-Fang; Zhao, Jiang-Lin; Chen, Kai; Hua, Zi-Yi; Chen, Mindong; Zhang, Yun-Qian; Zhu, Qian-Jiang; Tao, Zhu","Supramolecular coordination assemblies of a Symmetrical Octamethyl-Substituted Cucurbituril with alkali metal ions based on the outer-surface interactions of cucurbit[n]urils","CrystEngComm","2017","","","","","10.1039/C7CE00233E","","","0.71073","MoKα","","0.1489","0.1238","","","0.397","0.4098","","","","","","1.539","","","","has coordinates","194682","2020-10-21","18:00:00",""
"7227976","21.382","0.003","13.15","0.002","26.066","0.004","90","","106.422","0.003","90","","7030.1","1.8","223","2","223","2","","","","","","","","7","C 1 2/c 1","-C 2yc","15","","","","- C44 H68 Cd2 Cl7 Cs N24 O19 -","- C44 H52 Cd2 Cl7 Cs N24 O12 -","- C176 H208 Cd8 Cl28 Cs4 N96 O48 -","4","0.5","","Shen, Feng-Fang; Zhao, Jiang-Lin; Chen, Kai; Hua, Zi-Yi; Chen, Mindong; Zhang, Yun-Qian; Zhu, Qian-Jiang; Tao, Zhu","Supramolecular coordination assemblies of a Symmetrical Octamethyl-Substituted Cucurbituril with alkali metal ions based on the outer-surface interactions of cucurbit[n]urils","CrystEngComm","2017","","","","","10.1039/C7CE00233E","","","0.71073","MoKα","","0.075","0.0576","","","0.1731","0.1855","","","","","","1.117","","","","has coordinates","194682","2020-10-21","18:00:00",""
"7227977","13.3215","0.0005","16.4274","0.0007","16.0353","0.0006","90","","113.592","0.001","90","","3215.8","0.2","223","2","223","2","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C44 H80 Cd Cl4 N24 O25 -","- C44 H52 Cd Cl4 N24 O12 -","- C88 H104 Cd2 Cl8 N48 O24 -","2","1","","Shen, Feng-Fang; Zhao, Jiang-Lin; Chen, Kai; Hua, Zi-Yi; Chen, Mindong; Zhang, Yun-Qian; Zhu, Qian-Jiang; Tao, Zhu","Supramolecular coordination assemblies of a Symmetrical Octamethyl-Substituted Cucurbituril with alkali metal ions based on the outer-surface interactions of cucurbit[n]urils","CrystEngComm","2017","","","","","10.1039/C7CE00233E","","","0.71073","MoKα","","0.0464","0.0413","","","0.0963","0.0984","","","","","","1.04","","","","has coordinates","194682","2020-10-21","18:00:00",""
"7227978","12.4353","0.0009","12.8181","0.0009","13.2339","0.0009","61.113","0.002","79.45","0.002","79.892","0.002","1806.4","0.2","223","2","223","2","","","","","","","","7","P -1","-P 1","2","","","","- C44 H76 Cd2 Cl8 K4 N24 O24 -","- C44 H52 Cd2 Cl8 K4 N24 O22 -","- C44 H52 Cd2 Cl8 K4 N24 O22 -","1","0.5","","Shen, Feng-Fang; Zhao, Jiang-Lin; Chen, Kai; Hua, Zi-Yi; Chen, Mindong; Zhang, Yun-Qian; Zhu, Qian-Jiang; Tao, Zhu","Supramolecular coordination assemblies of a Symmetrical Octamethyl-Substituted Cucurbituril with alkali metal ions based on the outer-surface interactions of cucurbit[n]urils","CrystEngComm","2017","","","","","10.1039/C7CE00233E","","","0.71073","MoKα","","0.0973","0.0824","","","0.2225","0.233","","","","","","1.044","","","","has coordinates","194682","2020-10-21","18:00:00",""
"7227979","11.239","0.006","15.408","0.008","24.027","0.012","90","","98.565","0.014","90","","4114","4","223","2","223","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C72 H90 Cl2 N24 Na2 O31 -","- C72 H76 Cl2 N24 Na2 O30 -","- C144 H152 Cl4 N48 Na4 O60 -","2","0.5","","Shen, Feng-Fang; Zhao, Jiang-Lin; Chen, Kai; Hua, Zi-Yi; Chen, Mindong; Zhang, Yun-Qian; Zhu, Qian-Jiang; Tao, Zhu","Supramolecular coordination assemblies of a Symmetrical Octamethyl-Substituted Cucurbituril with alkali metal ions based on the outer-surface interactions of cucurbit[n]urils","CrystEngComm","2017","","","","","10.1039/C7CE00233E","","","0.71073","MoKα","","0.114","0.0609","","","0.1618","0.1919","","","","","","0.922","","","","has coordinates","194682","2020-10-21","18:00:00",""
"7227980","12.3158","0.0007","16.9613","0.0009","16.6577","0.0008","90","","96.41","0.002","90","","3457.9","0.3","223","2","223","2","","","","","","","","6","P 1 2/n 1","-P 2yac","13","","","","- C44 H81 Cd2 Cl7 N24 O25 -","- C44 H52 Cd2 Cl7 N24 O12 -","- C88 H104 Cd4 Cl14 N48 O24 -","2","0.5","","Shen, Feng-Fang; Zhao, Jiang-Lin; Chen, Kai; Hua, Zi-Yi; Chen, Mindong; Zhang, Yun-Qian; Zhu, Qian-Jiang; Tao, Zhu","Supramolecular coordination assemblies of a Symmetrical Octamethyl-Substituted Cucurbituril with alkali metal ions based on the outer-surface interactions of cucurbit[n]urils","CrystEngComm","2017","","","","","10.1039/C7CE00233E","","","0.71073","MoKα","","0.0987","0.0691","","","0.1647","0.1763","","","","","","1.036","","","","has coordinates","194682","2020-10-21","18:00:00",""
"7227981","10.337","0.002","15.507","0.003","27.383","0.006","90","","96.84","0.03","90","","4358.1","1.6","293","2","293","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C26 H22 Co N2 O6 -","- C26 H22 Co N2 O6 -","- C104 H88 Co4 N8 O24 -","4","0.5","","Martins, Vinícius; Camargos-Resende, Jackson A. L.; Machado Ronconi, Célia","A series of coordination networks constructed from the rigid ligand 4,4'-ethynylenedibenzoate: topological diversity, entanglement, supramolecular interactions and photophysical properties","CrystEngComm","2017","","","","","10.1039/C7CE00306D","","x-ray","0.71073","MoKα","","0.0822","0.0578","","","0.2179","0.2431","","","","","","0.915","","","","has coordinates,has disorder","194684","2020-10-21","18:00:00",""
"7227982","8.1941","0.0005","16.2658","0.0009","16.7088","0.0009","78.246","0.002","87.041","0.002","84.491","0.002","2169.1","0.2","287","2","287","2","","","","","","","","5","P -1","-P 1","2","","","","- C26 H19 Er O8 S -","- C26 H19 Er O8 S -","- C52 H38 Er2 O16 S2 -","2","1","","Martins, Vinícius; Camargos-Resende, Jackson A. L.; Machado Ronconi, Célia","A series of coordination networks constructed from the rigid ligand 4,4'-ethynylenedibenzoate: topological diversity, entanglement, supramolecular interactions and photophysical properties","CrystEngComm","2017","","","","","10.1039/C7CE00306D","","","0.71073","MoKα","","0.047","0.0339","","","0.079","0.0842","","","","","","1.032","","","","has coordinates,has disorder","194684","2020-10-21","18:00:00",""
"7227983","32.978","0.007","7.9043","0.0016","19.738","0.004","90","","106.77","0.03","90","","4926.2","1.9","293","2","293","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C21 H23 Cd O6.25 S2.5 -","- C21 H23 Cd O6.25 S2.5 -","- C168 H184 Cd8 O50 S20 -","8","1","","Martins, Vinícius; Camargos-Resende, Jackson A. L.; Machado Ronconi, Célia","A series of coordination networks constructed from the rigid ligand 4,4'-ethynylenedibenzoate: topological diversity, entanglement, supramolecular interactions and photophysical properties","CrystEngComm","2017","","","","","10.1039/C7CE00306D","","x-ray","0.71073","MoKα","","0.0441","0.03","","","0.062","0.0674","","","","","","1.084","","","","has coordinates,has disorder","194684","2020-10-21","18:00:00",""
"7227984","35.067","0.003","24.035","0.003","26.081","0.003","90","","132.068","0.003","90","","16318","3","150","2","150","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C48 H32 Gd2 O16 -","- C48 H32 Gd2 O16 -","- C384 H256 Gd16 O128 -","8","1","","Martins, Vinícius; Camargos-Resende, Jackson A. L.; Machado Ronconi, Célia","A series of coordination networks constructed from the rigid ligand 4,4'-ethynylenedibenzoate: topological diversity, entanglement, supramolecular interactions and photophysical properties","CrystEngComm","2017","","","","","10.1039/C7CE00306D","","x-ray","0.71073","MoKα","","0.1879","0.1425","","","0.3835","0.4313","","","","","","1.061","","","","has coordinates","194684","2020-10-21","18:00:00",""
"7227985","6.4269","0.0003","8.9443","0.0005","16.3677","0.0009","85.57","0.005","81.795","0.004","86.766","0.005","927.49","0.09","173","2","173","2","","","","","","","","6","P -1","-P 1","2","","","","- C12 H10 F13 I N2 S -","- C12 H10 F13 I N2 S -","- C24 H20 F26 I2 N4 S2 -","2","1","","Hummel, Michael; Markiewicz, Marta; Stolte, Stefan; Noisternig, Michael Franz; Braun, Doris Elfriede; Gelbrich, Thomas; Griesser, Ulrich J.; Partl, Gabriel Julian; Naier, Benjamin Florian; Wurst, Klaus; Krüger, Biljana; Kopacka, Holger; Laus, Gerhard; Huppertz, Hubert; Schottenberger, Herwig","Phase-out-compliant fluorosurfactants: Unique methimazolium derivatives including room temperature ionic liquids","Green Chem.","2017","","","","","10.1039/C7GC00571G","","x-ray","0.71073","MoKα","","0.0359","0.0286","","","0.0522","0.056","","","","","","1.02","","","","has coordinates","194734","2020-10-21","18:00:00",""
"7227986","6.3654","0.0004","9.2363","0.0005","16.0361","0.0012","75.231","0.005","83.709","0.005","76.855","0.005","886.44","0.1","173","2","173","2","","","","","","","","6","P -1","-P 1","2","","","","- C12 H10 Cl F13 N2 S -","- C12 H10 Cl F13 N2 S -","- C24 H20 Cl2 F26 N4 S2 -","2","1","","Hummel, Michael; Markiewicz, Marta; Stolte, Stefan; Noisternig, Michael Franz; Braun, Doris Elfriede; Gelbrich, Thomas; Griesser, Ulrich J.; Partl, Gabriel Julian; Naier, Benjamin Florian; Wurst, Klaus; Krüger, Biljana; Kopacka, Holger; Laus, Gerhard; Huppertz, Hubert; Schottenberger, Herwig","Phase-out-compliant fluorosurfactants: Unique methimazolium derivatives including room temperature ionic liquids","Green Chem.","2017","","","","","10.1039/C7GC00571G","","x-ray","0.71073","MoKα","","0.0621","0.044","","","0.1032","0.114","","","","","","1.029","","","","has coordinates","194734","2020-10-21","18:00:00",""
"7227987","18.463","0.005","8.901","0.003","11.595","0.003","90","","102.185","0.009","90","","1862.6","0.9","173","2","173","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C24 H20 F32 N4 S2 Si -","- C24 H20 F32 N4 S2 Si -","- C48 H40 F64 N8 S4 Si2 -","2","0.5","","Hummel, Michael; Markiewicz, Marta; Stolte, Stefan; Noisternig, Michael Franz; Braun, Doris Elfriede; Gelbrich, Thomas; Griesser, Ulrich J.; Partl, Gabriel Julian; Naier, Benjamin Florian; Wurst, Klaus; Krüger, Biljana; Kopacka, Holger; Laus, Gerhard; Huppertz, Hubert; Schottenberger, Herwig","Phase-out-compliant fluorosurfactants: Unique methimazolium derivatives including room temperature ionic liquids","Green Chem.","2017","","","","","10.1039/C7GC00571G","","","0.71073","MoKα","","0.1554","0.0902","","","0.2128","0.2515","","","","","","1.05","","","","has coordinates","194734","2020-10-21","18:00:00",""
"7227988","6.4954","0.0005","9.2039","0.0008","27.9195","0.0019","94.848","0.006","91.767","0.006","95.367","0.007","1654.6","0.2","173","2","173","2","","","","","","","","6","P -1","-P 1","2","","","","- C20 H10 F30 I2 N2 S -","- C20 H10 F30 I2 N2 S -","- C40 H20 F60 I4 N4 S2 -","2","1","","Hummel, Michael; Markiewicz, Marta; Stolte, Stefan; Noisternig, Michael Franz; Braun, Doris Elfriede; Gelbrich, Thomas; Griesser, Ulrich J.; Partl, Gabriel Julian; Naier, Benjamin Florian; Wurst, Klaus; Krüger, Biljana; Kopacka, Holger; Laus, Gerhard; Huppertz, Hubert; Schottenberger, Herwig","Phase-out-compliant fluorosurfactants: Unique methimazolium derivatives including room temperature ionic liquids","Green Chem.","2017","","","","","10.1039/C7GC00571G","","x-ray","0.71073","MoKα","","0.0686","0.0462","","","0.0977","0.112","","","","","","1.056","","","","has coordinates,has disorder","194734","2020-10-21","18:00:00",""
"7227989","5.8881","0.0003","10.2741","0.0007","25.481","0.001","89.763","0.004","87.419","0.004","77.726","0.003","1504.69","0.14","233","2","233","2","","","","","","","","6","P -1","-P 1","2","","","","- C20 H13 F26 I N2 S -","- C20 H13 F26 I N2 S -","- C40 H26 F52 I2 N4 S2 -","2","1","","Hummel, Michael; Markiewicz, Marta; Stolte, Stefan; Noisternig, Michael Franz; Braun, Doris Elfriede; Gelbrich, Thomas; Griesser, Ulrich J.; Partl, Gabriel Julian; Naier, Benjamin Florian; Wurst, Klaus; Krüger, Biljana; Kopacka, Holger; Laus, Gerhard; Huppertz, Hubert; Schottenberger, Herwig","Phase-out-compliant fluorosurfactants: Unique methimazolium derivatives including room temperature ionic liquids","Green Chem.","2017","","","","","10.1039/C7GC00571G","","","0.71073","MoKα","","0.0917","0.0589","","","0.1519","0.1684","","","","","","1.067","","","","has coordinates","194734","2020-10-21","18:00:00",""
"7227990","8.6657","0.0002","10.1187","0.0004","48.601","0.002","90","","90","","90","","4261.6","0.3","233","2","233","2","","","","","","","","6","P b c a","-P 2ac 2ab","61","","","","- C15 H15 F13 N2 O3 S2 -","- C15 H15 F13 N2 O3 S2 -","- C120 H120 F104 N16 O24 S16 -","8","1","","Hummel, Michael; Markiewicz, Marta; Stolte, Stefan; Noisternig, Michael Franz; Braun, Doris Elfriede; Gelbrich, Thomas; Griesser, Ulrich J.; Partl, Gabriel Julian; Naier, Benjamin Florian; Wurst, Klaus; Krüger, Biljana; Kopacka, Holger; Laus, Gerhard; Huppertz, Hubert; Schottenberger, Herwig","Phase-out-compliant fluorosurfactants: Unique methimazolium derivatives including room temperature ionic liquids","Green Chem.","2017","","","","","10.1039/C7GC00571G","","","0.71073","MoKα","","0.0942","0.0569","","","0.1283","0.1468","","","","","","0.983","","","","has coordinates,has disorder","194734","2020-10-21","18:00:00",""
"7227991","24.0182","0.0013","26.8445","0.0014","7.914","0.0004","90","","90","","90","","5102.6","0.5","293","2","293","2","","","","","","","","4","F d d 2","F 2 -2d","43","","1-methyl-2-(methylamino)-3-nitro-1H-chromeno[2,3-b]pyridin-5(10aH)-one","","- C14 H13 N3 O4 -","- C14 H13 N3 O4 -","- C224 H208 N48 O64 -","16","1","","Ramakrishna, Seeram; nataraj, poomathi; Perumal, Paramasivan Thirumalai","An efficient and eco-friendly synthesis of 2-pyridones and functionalized azaxanthone frameworks via indium triflate catalyzed domino reaction","Green Chem.","2017","","","","","10.1039/C6GC03440C","","","0.71073","MoKα","","0.0336","0.03","","","0.0733","0.0759","","","","","","1.044","","","","has coordinates","194735","2020-10-21","18:00:00",""
"7227992","14.158","0.003","14.747","0.003","23.048","0.007","90","","90","","90","","4812","2","296","2","296","2","","","","","","","","6","P b c a","-P 2ac 2ab","61","","3,3-disubstituted oxindole","","- C27 H22 Br N3 O4 S -","- C27 H22 Br N3 O4 S -","- C216 H176 Br8 N24 O32 S8 -","8","1","","Ramakrishna, Seeram; nataraj, poomathi; Perumal, Paramasivan Thirumalai","An efficient and eco-friendly synthesis of 2-pyridones and functionalized azaxanthone frameworks via indium triflate catalyzed domino reaction","Green Chem.","2017","","","","","10.1039/C6GC03440C","","","0.71073","MoKα","","0.1138","0.0904","","","0.2816","0.3003","","","","","","1.123","","","","has coordinates","194735","2020-10-21","18:00:00",""
"7227993","27.6575","0.0015","27.6575","0.0015","10.9557","0.0014","90","","90","","120","","7257.7","1.1","290","1","290","1","","","","","","","","4","R 3 :H","R 3","146","S-Thiadianin's, R-Dianin's IPA Quasiracemate, Type I cell","S-4-p-hydroxyphenyl-2,2,4-trimethylthiachroman, R-4-p-hydroxyphenyl-2,2,4-trimethylchroman, 0.33 IPA solvate","","- C38 H45.33 O3.67 S -","- C37.9998 H45.3328 O3.6666 S -","- C341.998 H407.995 O32.9994 S9 -","9","1","","Frampton, Christopher Stephen; MacNicol, David D.; Gall, James H.; Mohd Ali, Hapipah; Azizan, Ainnul; Ketuly, Kamal","An unprecedented Dianin clathrate structure with Z ′ (host) = 16","CrystEngComm","2017","","","","","10.1039/C7CE00451F","","","1.54178","CuKα","","0.0411","0.0397","","","0.116","0.1186","","","","","","1.006","","","","has coordinates","195223","2020-10-21","18:00:00",""
"7227994","28.246","0.004","28.246","0.004","10.965","0.003","90","","90","","120","","7576","3","371","1","371","1","","","","","","","","4","R -3 :H","-R 3","148","S-Dianin's Compound with IPA guest, Type I cell","4-p-hydroxyphenyl-2,2,4-trimethylthiachroman: 0.33 IPA solvate","","- C19 H22.67 O1.33 S -","- C18.3334 H20 O1.08333 S -","- C330.001 H360 O19.5 S18 -","18","1","","Frampton, Christopher Stephen; MacNicol, David D.; Gall, James H.; Mohd Ali, Hapipah; Azizan, Ainnul; Ketuly, Kamal","An unprecedented Dianin clathrate structure with Z ′ (host) = 16","CrystEngComm","2017","","","","","10.1039/C7CE00451F","","","1.54178","CuKα","","0.2061","0.1493","","","0.3289","0.4072","","","","","","1.981","","","","has coordinates","195223","2020-10-21","18:00:00",""
"7227995","56.1623","0.0004","56.1623","0.0004","10.88656","0.00012","90","","90","","120","","29738","0.4","200","1","200","1","","","","","","","","4","R -3 :H","-R 3","148","S-ThiaDianin's Compound 0.33 IPA solvate, Type II cell","4-p-hydroxyphenyl-2,2,4-trimethylthiachroman 0.33 IPA solvate","","- C19 H22.67 O1.33 S -","- C19 H22.6666 O1.33332 S -","- C1368 H1632 O95.9994 S72 -","72","4","","Frampton, Christopher Stephen; MacNicol, David D.; Gall, James H.; Mohd Ali, Hapipah; Azizan, Ainnul; Ketuly, Kamal","An unprecedented Dianin clathrate structure with Z ′ (host) = 16","CrystEngComm","2017","","","","","10.1039/C7CE00451F","","","1.54178","CuKα","","0.0511","0.0457","","","0.1326","0.1435","","","","","","1","","","","has coordinates,has disorder","195223","2020-10-21","18:00:00",""
"7227996","56.4934","0.0004","56.4934","0.0004","10.9041","0.0001","90","","90","","120","","30138.1","0.4","295","1","295","1","","","","","","","","4","R -3 :H","-R 3","148","S-ThiaDianin's Compound 0.33 IPA solvate, Type II cell","4-p-hydroxyphenyl-2,2,4-trimethylthiachroman: 0.33 IPA solvate","","- C19 H22.67 O1.33 S -","- C19 H22.6666 O1.33332 S -","- C1368 H1632 O95.9994 S72 -","72","4","","Frampton, Christopher Stephen; MacNicol, David D.; Gall, James H.; Mohd Ali, Hapipah; Azizan, Ainnul; Ketuly, Kamal","An unprecedented Dianin clathrate structure with Z ′ (host) = 16","CrystEngComm","2017","","","","","10.1039/C7CE00451F","","","1.54178","CuKα","","0.0592","0.0545","","","0.1552","0.1614","","","","","","1.026","","","","has coordinates","195223","2020-10-21","18:00:00",""
"7227997","55.0808","0.0009","55.0808","0.0009","10.8542","0.0002","90","","90","","120","","28518.6","0.8","90","1","90","1","","","","","","","","4","R 3 :H","R 3","146","S-Thiadianin's, R-Dianin's IPA Quasiracemate, Type II cell","S-4-p-hydroxyphenyl-2,2,4-trimethylthiachroman, R-4-p-hydroxyphenyl-2,2,4-trimethylchroman, 0.33 IPA solvate","","- C38 H45.33 O3.67 S -","- C38 H45.3332 O3.66666 S -","- C1368 H1632 O132 S36 -","36","4","","Frampton, Christopher Stephen; MacNicol, David D.; Gall, James H.; Mohd Ali, Hapipah; Azizan, Ainnul; Ketuly, Kamal","An unprecedented Dianin clathrate structure with Z ′ (host) = 16","CrystEngComm","2017","","","","","10.1039/C7CE00451F","","","1.54178","CuKα","","0.0317","0.0312","","","0.081","0.0815","","","","","","1.04","","","","has coordinates,has disorder","195223","2020-10-21","18:00:00",""
"7227998","111.791","0.0004","111.791","0.0004","10.8568","0.0001","90","","90","","120","","117502","1.2","90","1","90","1","","","","","","","","4","R -3 :H","-R 3","148","S-ThiaDianin's Compound 0.33 IPA solvate, Type III cell","4-p-hydroxyphenyl-2,2,4-trimethylthiachroman 0.33 IPA solvate","","- C19 H22.67 O1.33 S -","- C19 H22.6667 O1.33333 S -","- C5472 H6528 O383.999 S288 -","288","16","","Frampton, Christopher Stephen; MacNicol, David D.; Gall, James H.; Mohd Ali, Hapipah; Azizan, Ainnul; Ketuly, Kamal","An unprecedented Dianin clathrate structure with Z ′ (host) = 16","CrystEngComm","2017","","","","","10.1039/C7CE00451F","","","1.54178","CuKα","","0.0652","0.0608","","","0.1736","0.1775","","","","","","1.048","","","","has coordinates,has disorder","195223","2020-10-21","18:00:00",""
"7227999","113.983","0.005","113.983","0.005","10.7937","0.0007","90","","90","","120","","121445","11","120","2","120","1","","","","","","","","4","R -3 :H","-R 3","148","SelenaDianin's Compound 0.33 IPA solvate, Type III cell","4-p-hydroxyphenyl-2,2,4-trimethylselenachroman 0.33 IPA solvate","","- C19 H22.67 O1.33 Se -","- C19 H20.4167 O1.33333 Se -","- C5472 H5880 O383.999 Se288 -","288","16","","Frampton, Christopher Stephen; MacNicol, David D.; Gall, James H.; Mohd Ali, Hapipah; Azizan, Ainnul; Ketuly, Kamal","An unprecedented Dianin clathrate structure with Z ′ (host) = 16","CrystEngComm","2017","","","","","10.1039/C7CE00451F","","","0.71073","MoKα","","0.1743","0.1092","","","0.2502","0.2638","","","","","","1.491","","","","has coordinates","195223","2020-10-21","18:00:00",""
"7228000","10.4069","0.0013","14.095","0.0017","15.263","0.002","86.244","0.003","85.165","0.003","85.393","0.004","2219.8","0.5","97","","97","","","","","","","","","7","P -1","-P 1","2","","","","- C83.5 H51 Cl12 N4 O16 Rh4 S8 -","- C83.5 H42 Cl12 N4 O16 Rh4 S8 -","- C83.5 H42 Cl12 N4 O16 Rh4 S8 -","1","0.5","","Sekine, Yoshihiro; Tonouchi, Masanori; Yokoyama, Taiga; Kosaka, Wataru; Miyasaka, Hitoshi","Built-in TTF‒TCNQ charge-transfer salts in π-stacked pillared layer frameworks","CrystEngComm","2017","19","17","2300","","10.1039/C7CE00492C","","","0.71075","MoKα","","","0.0496","","","","0.1333","","","","","","1.067","","","","has coordinates","196374","2020-10-21","18:00:00",""
"7228001","10.929","0.002","13.658","0.003","16.296","0.003","71.368","0.009","74.864","0.01","69.076","0.009","2123.1","0.7","97","","97","","","","","","","","","7","P -1","-P 1","2","","","","- C76 H44 Cl12 N4 O16 Rh4 S4 -","- C76 H38 Cl12 N4 O16 Rh4 S4 -","- C76 H38 Cl12 N4 O16 Rh4 S4 -","1","0.5","","Sekine, Yoshihiro; Tonouchi, Masanori; Yokoyama, Taiga; Kosaka, Wataru; Miyasaka, Hitoshi","Built-in TTF‒TCNQ charge-transfer salts in π-stacked pillared layer frameworks","CrystEngComm","2017","19","17","2300","","10.1039/C7CE00492C","","","0.71075","MoKα","","","0.0514","","","","0.1398","","","","","","1.063","","","","has coordinates","196374","2020-10-21","18:00:00",""
"7228002","8.279","0.0006","13.8112","0.0011","14.0825","0.0013","91.101","0.006","97.128","0.005","90.515","0.004","1597.4","0.2","97","","97","","","","","","","","","7","P -1","-P 1","2","","","","- C40 H44 Cl12 N4 O16 Rh4 S4 -","- C40 H44 Cl12 N4 O16 Rh4 S4 -","- C40 H44 Cl12 N4 O16 Rh4 S4 -","1","0.5","","Sekine, Yoshihiro; Tonouchi, Masanori; Yokoyama, Taiga; Kosaka, Wataru; Miyasaka, Hitoshi","Built-in TTF‒TCNQ charge-transfer salts in π-stacked pillared layer frameworks","CrystEngComm","2017","19","17","2300","","10.1039/C7CE00492C","","","0.71075","MoKα","","","0.0716","","","","0.2091","","","","","","1.092","","","","has coordinates","196374","2020-10-21","18:00:00",""
"7228003","7.7565","0.0002","16.3013","0.0005","18.1525","0.0005","90","","97.092","0.003","90","","2277.66","0.11","100","","100","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C15 H18 N7 O6 Zn2 -","- C15 H15 N7 O6 Zn2 -","- C60 H60 N28 O24 Zn8 -","4","1","","Tang, Yu-Huan; Wu, Xin; Wang, Fei; Zhang, Jian","Sythesis of Zeolite-like Metal-organic Frameworks from a Dual-ligand Strategy","CrystEngComm","2017","","","","","10.1039/C7CE00332C","","","1.54178","CuKα","","0.0683","0.0645","","","0.1825","0.1852","","","","","","0.829","","","","has coordinates,has disorder","195226","2020-10-21","18:00:00",""
"7228004","14.0656","0.0005","14.0656","0.0005","15.9629","0.0011","90","","90","","90","","3158.1","0.3","293","2","293","2","","","","","","","","5","P 43 21 2","P 4nw 2abw","96","","","","- C21 H14 N8 O6 Zn2 -","- C21 H16 N8 O6 Zn2 -","- C84 H64 N32 O24 Zn8 -","4","0.5","","Tang, Yu-Huan; Wu, Xin; Wang, Fei; Zhang, Jian","Sythesis of Zeolite-like Metal-organic Frameworks from a Dual-ligand Strategy","CrystEngComm","2017","","","","","10.1039/C7CE00332C","","","0.71073","MoKα","","0.0594","0.0548","","","0.1615","0.1663","","","","","","1.061","","","","has coordinates","195226","2020-10-21","18:00:00",""
"7228005","23.9672","0.0002","23.9672","0.0002","14.6637","0.0003","90","","90","","120","","7294.72","0.17","100","0.3","100","0.3","","","","","","","","5","P 6/m","-P 6","175","","","","- C15 H9 N7 O5 Zn2 -","- C15 H9 N7 O5 Zn2 -","- C180 H108 N84 O60 Zn24 -","12","1","","Tang, Yu-Huan; Wu, Xin; Wang, Fei; Zhang, Jian","Sythesis of Zeolite-like Metal-organic Frameworks from a Dual-ligand Strategy","CrystEngComm","2017","","","","","10.1039/C7CE00332C","","","1.54178","CuKα","","0.0935","0.0853","","","0.2698","0.2845","","","","","","1.005","","","","has coordinates,has disorder","195226","2020-10-21","18:00:00",""
"7228006","10.5112","0.0005","16.4981","0.0007","22.863","0.001","90","","90.391","0.001","90","","3964.7","0.3","150","2","150","2","","","","","","","","6","P 1 21 1","P 2yb","4","2[Gd(dipic)3] 2[CoEn3] * 17(H2O)","","","- C27 H50 Co Gd N9 O20.5 -","- C27 H50 Co Gd N9 O20.5 -","- C108 H200 Co4 Gd4 N36 O82 -","4","2","","Harrowfield, Jack M.; Kim, Yang; Skelton, Brian W.; Sobolev, Alexandre N.; White, Allan H.","Chiral discrimination in solid-state interactions of cobalt(iii)‒polyamine complex cations with tris-(dipicolinato)lanthanate(iii) anions","CrystEngComm","2017","19","17","2372","","10.1039/C6CE02573K","","","0.71073","MoKα","","0.0734","0.0483","","","0.1124","0.1206","","","","","","1","","","","has coordinates","203412","2020-10-21","18:00:00",""
"7228007","10.4992","0.0004","21.4101","0.0009","16.8664","0.0007","90","","95.879","0.001","90","","3771.4","0.3","150","2","150","2","","","","","","","","6","P 1 21 1","P 2yb","4","2[Gd(dipic)3] 2[CoEn3] * 13(H2O)","","","- C27 H46 Co Gd N9 O18.5 -","- C27 H46 Co Gd N9 O18.5 -","- C108 H184 Co4 Gd4 N36 O74 -","4","2","","Harrowfield, Jack M.; Kim, Yang; Skelton, Brian W.; Sobolev, Alexandre N.; White, Allan H.","Chiral discrimination in solid-state interactions of cobalt(iii)‒polyamine complex cations with tris-(dipicolinato)lanthanate(iii) anions","CrystEngComm","2017","19","17","2372","","10.1039/C6CE02573K","","","0.71073","MoKα","","0.0272","0.023","","","0.0478","0.049","","","","","","1.003","","","","has coordinates","203412","2020-10-21","18:00:00",""
"7228008","10.6445","0.0006","10.6445","0.0006","36.732","0.003","90","","90","","120","","3604.3","0.4","150","2","150","2","","","","","","","","6","P 32 2 1","P 32 2""","154","[Gd(dipic)3] [Co(sar)(NO2)2] * 12(H2O)","","","- C35 H63 Co Gd N11 O28 -","- C35 H39 Co Gd N11 O28 -","- C105 H117 Co3 Gd3 N33 O84 -","3","0.5","","Harrowfield, Jack M.; Kim, Yang; Skelton, Brian W.; Sobolev, Alexandre N.; White, Allan H.","Chiral discrimination in solid-state interactions of cobalt(iii)‒polyamine complex cations with tris-(dipicolinato)lanthanate(iii) anions","CrystEngComm","2017","19","17","2372","","10.1039/C6CE02573K","","","0.71073","MoKα","","0.0828","0.0458","","","0.0718","0.0776","","","","","","1.001","","","","has coordinates,has disorder","196378","2020-10-21","18:00:00",""
"7228009","32.494","0.002","10.6067","0.0006","22.729","0.001","90","","115.372","0.001","90","","7078","0.7","150","2","150","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","2[La(dipic)3] 2(CoEn3) * 9(H2O)","","","- C54 H84 Co2 La2 N18 O33 -","- C54 H84 Co2 La2 N18 O33 -","- C216 H336 Co8 La8 N72 O132 -","4","0.5","","Harrowfield, Jack M.; Kim, Yang; Skelton, Brian W.; Sobolev, Alexandre N.; White, Allan H.","Chiral discrimination in solid-state interactions of cobalt(iii)‒polyamine complex cations with tris-(dipicolinato)lanthanate(iii) anions","CrystEngComm","2017","19","17","2372","","10.1039/C6CE02573K","","","0.71073","MoKα","","0.0594","0.0332","","","0.0738","0.0821","","","","","","1.004","","","","has coordinates,has disorder","196378","2020-10-21","18:00:00",""
"7228010","15.191","0.001","10.5019","0.0009","22.891","0.002","90","","107.102","0.002","90","","3490.4","0.5","150","2","150","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","[La(dipic)3] [CoEn3] * 4(H2O)","","","- C27 H41 Co La N9 O16 -","- C27 H41 Co La N9 O16 -","- C108 H164 Co4 La4 N36 O64 -","4","1","","Harrowfield, Jack M.; Kim, Yang; Skelton, Brian W.; Sobolev, Alexandre N.; White, Allan H.","Chiral discrimination in solid-state interactions of cobalt(iii)‒polyamine complex cations with tris-(dipicolinato)lanthanate(iii) anions","CrystEngComm","2017","19","17","2372","","10.1039/C6CE02573K","","","0.71073","MoKα","","0.0813","0.0443","","","0.0911","0.1022","","","","","","1.003","","","","has coordinates","196378","2020-10-21","18:00:00",""
"7228011","10.6171","0.0005","21.464","0.001","16.9092","0.0009","90","","96.623","0.001","90","","3827.6","0.3","150","2","150","2","","","","","","","","6","P 1 21 1","P 2yb","4","2[La(dipic)3] 2[CoEn3] * 13(H2O)","","","- C54 H92 Co2 La2 N18 O37 -","- C54 H90 Co2 La2 N18 O37 -","- C108 H180 Co4 La4 N36 O74 -","2","1","","Harrowfield, Jack M.; Kim, Yang; Skelton, Brian W.; Sobolev, Alexandre N.; White, Allan H.","Chiral discrimination in solid-state interactions of cobalt(iii)‒polyamine complex cations with tris-(dipicolinato)lanthanate(iii) anions","CrystEngComm","2017","19","17","2372","","10.1039/C6CE02573K","","","0.71073","MoKα","","0.0388","0.0299","","","0.0603","0.0628","","","","","","1","","","","has coordinates","196378","2020-10-21","18:00:00",""
"7228012","5.8787","0.0003","8.2985","0.0004","13.07","0.002","81.714","0.008","87.395","0.008","82.183","0.004","624.88","0.11","293","2","293","2","","","4030000","","","","","5","P -1","-P 1","2","tolazamide","N-[(azepan-1-ylamino)carbonyl]-4-methylbenzenesulfonamide","","- C14 H21 N3 O3 S -","- C14 H21 N3 O3 S -","- C28 H42 N6 O6 S2 -","2","1","","Fedorov, A. Yu.; Rychkov, D. A.; Losev, E. A.; Zakharov, B. A.; Stare, J.; Boldyreva, E. V.","Effect of pressure on two polymorphs of tolazamide: why no interconversion?","CrystEngComm","2017","19","16","2243","","10.1039/C6CE02527G","","","0.71073","MoKα","","0.0716","0.0442","","","0.0868","0.1008","","","","","","1.095","","","","has coordinates","211417","2020-10-21","18:00:00",""
"7228013","6.3489","0.0004","8.8785","0.0005","13.387","0.003","81.965","0.01","85.674","0.01","84.251","0.005","742","0.18","293","2","293","2","","","330000","","","","","5","P -1","-P 1","2","tolazamide","N-[(azepan-1-ylamino)carbonyl]-4-methylbenzenesulfonamide","","- C14 H21 N3 O3 S -","- C14 H21 N3 O3 S -","- C28 H42 N6 O6 S2 -","2","1","","Fedorov, A. Yu.; Rychkov, D. A.; Losev, E. A.; Zakharov, B. A.; Stare, J.; Boldyreva, E. V.","Effect of pressure on two polymorphs of tolazamide: why no interconversion?","CrystEngComm","2017","19","16","2243","","10.1039/C6CE02527G","","","0.71073","MoKα","","0.1003","0.0526","","","0.1161","0.1425","","","","","","0.972","","","","has coordinates,has disorder","211417","2020-10-21","18:00:00",""
"7228014","6.2278","0.0005","9.026","0.002","13.3215","0.0014","79.608","0.013","86.913","0.008","85.99","0.013","734.09","0.19","293","2","293","2","460000","","460000","","","","","5","P -1","-P 1","2","tolazamide","N-[(azepan-1-ylamino)carbonyl]-4-methylbenzenesulfonamide","","- C14 H21 N3 O3 S -","- C14 H21 N3 O3 S -","- C28 H42 N6 O6 S2 -","2","1","","Fedorov, A. Yu.; Rychkov, D. A.; Losev, E. A.; Zakharov, B. A.; Stare, J.; Boldyreva, E. V.","Effect of pressure on two polymorphs of tolazamide: why no interconversion?","CrystEngComm","2017","19","16","2243","","10.1039/C6CE02527G","","","0.71073","MoKα","","0.163","0.0772","","","0.1557","0.2054","","","","","","1.033","","","","has coordinates","211416","2020-10-21","18:00:00",""
"7228015","5.7365","0.0003","8.0902","0.0004","12.894","0.002","82.422","0.008","88.028","0.008","82.178","0.004","587.58","0.1","293","2","293","2","","","6830000","","","","","5","P -1","-P 1","2","tolazamide","N-[(azepan-1-ylamino)carbonyl]-4-methylbenzenesulfonamide","","- C14 H21 N3 O3 S -","- C14 H21 N3 O3 S -","- C28 H42 N6 O6 S2 -","2","1","","Fedorov, A. Yu.; Rychkov, D. A.; Losev, E. A.; Zakharov, B. A.; Stare, J.; Boldyreva, E. V.","Effect of pressure on two polymorphs of tolazamide: why no interconversion?","CrystEngComm","2017","19","16","2243","","10.1039/C6CE02527G","","","0.71073","MoKα","","0.0798","0.0502","","","0.1029","0.1185","","","","","","1.098","","","","has coordinates","211417","2020-10-21","18:00:00",""
"7228016","5.8913","0.0003","8.5944","0.0015","12.8846","0.0015","80.681","0.012","85.494","0.007","85.723","0.009","640.51","0.14","293","2","293","2","3000000","","3000000","","","","","5","P -1","-P 1","2","tolazamide","N-[(azepan-1-ylamino)carbonyl]-4-methylbenzenesulfonamide","","- C14 H21 N3 O3 S -","- C14 H21 N3 O3 S -","- C28 H42 N6 O6 S2 -","2","1","","Fedorov, A. Yu.; Rychkov, D. A.; Losev, E. A.; Zakharov, B. A.; Stare, J.; Boldyreva, E. V.","Effect of pressure on two polymorphs of tolazamide: why no interconversion?","CrystEngComm","2017","19","16","2243","","10.1039/C6CE02527G","","","0.71073","MoKα","","0.116","0.066","","","0.1148","0.1407","","","","","","1.054","","","","has coordinates","211416","2020-10-21","18:00:00",""
"7228017","5.7168","0.0004","8.3457","0.0014","12.6434","0.001","81.496","0.001","84.436","0.007","85.47","0.011","592.5","0.12","293","2","293","2","6100000","","6100000","","","","","5","P -1","-P 1","2","tolazamide","N-[(azepan-1-ylamino)carbonyl]-4-methylbenzenesulfonamide","","- C14 H21 N3 O3 S -","- C14 H21 N3 O3 S -","- C28 H42 N6 O6 S2 -","2","1","","Fedorov, A. Yu.; Rychkov, D. A.; Losev, E. A.; Zakharov, B. A.; Stare, J.; Boldyreva, E. V.","Effect of pressure on two polymorphs of tolazamide: why no interconversion?","CrystEngComm","2017","19","16","2243","","10.1039/C6CE02527G","","","0.71073","MoKα","","0.09","0.0539","","","0.1071","0.1256","","","","","","1.063","","","","has coordinates","211416","2020-10-21","18:00:00",""
"7228018","5.7996","0.0003","8.1816","0.0004","12.978","0.003","82.064","0.009","87.702","0.009","82.134","0.004","604.03","0.15","293","2","293","2","","","5450000","","","","","5","P -1","-P 1","2","tolazamide","N-[(azepan-1-ylamino)carbonyl]-4-methylbenzenesulfonamide","","- C14 H21 N3 O3 S -","- C14 H21 N3 O3 S -","- C28 H42 N6 O6 S2 -","2","1","","Fedorov, A. Yu.; Rychkov, D. A.; Losev, E. A.; Zakharov, B. A.; Stare, J.; Boldyreva, E. V.","Effect of pressure on two polymorphs of tolazamide: why no interconversion?","CrystEngComm","2017","19","16","2243","","10.1039/C6CE02527G","","","0.71073","MoKα","","0.0646","0.0412","","","0.0828","0.097","","","","","","1.036","","","","has coordinates","211417","2020-10-21","18:00:00",""
"7228019","5.8202","0.0003","8.536","0.005","12.7885","0.0014","80.81","0.02","85.069","0.006","85.606","0.014","623.6","0.4","293","2","293","2","4030000","","4030000","","","","","5","P -1","-P 1","2","tolazamide","N-[(azepan-1-ylamino)carbonyl]-4-methylbenzenesulfonamide","","- C14 H21 N3 O3 S -","- C14 H21 N3 O3 S -","- C28 H42 N6 O6 S2 -","2","1","","Fedorov, A. Yu.; Rychkov, D. A.; Losev, E. A.; Zakharov, B. A.; Stare, J.; Boldyreva, E. V.","Effect of pressure on two polymorphs of tolazamide: why no interconversion?","CrystEngComm","2017","19","16","2243","","10.1039/C6CE02527G","","","0.71073","MoKα","","0.1015","0.0573","","","0.1133","0.1356","","","","","","1.056","","","","has coordinates","211416","2020-10-21","18:00:00",""
"7228020","5.7694","0.0003","8.1369","0.0004","12.941","0.003","82.207","0.009","87.842","0.009","82.147","0.004","596.15","0.15","293","2","293","2","","","6100000","","","","","5","P -1","-P 1","2","tolazamide","N-[(azepan-1-ylamino)carbonyl]-4-methylbenzenesulfonamide","","- C14 H21 N3 O3 S -","- C14 H21 N3 O3 S -","- C28 H42 N6 O6 S2 -","2","1","","Fedorov, A. Yu.; Rychkov, D. A.; Losev, E. A.; Zakharov, B. A.; Stare, J.; Boldyreva, E. V.","Effect of pressure on two polymorphs of tolazamide: why no interconversion?","CrystEngComm","2017","19","16","2243","","10.1039/C6CE02527G","","","0.71073","MoKα","","0.0666","0.0437","","","0.0895","0.1034","","","","","","1.06","","","","has coordinates","211417","2020-10-21","18:00:00",""
"7228021","5.9272","0.0003","8.3697","0.0004","13.124","0.002","81.58","0.008","87.185","0.008","82.254","0.004","637.89","0.11","293","2","293","2","","","3320000","","","","","5","P -1","-P 1","2","tolazamide","N-[(azepan-1-ylamino)carbonyl]-4-methylbenzenesulfonamide","","- C14 H21 N3 O3 S -","- C14 H21 N3 O3 S -","- C28 H42 N6 O6 S2 -","2","1","","Fedorov, A. Yu.; Rychkov, D. A.; Losev, E. A.; Zakharov, B. A.; Stare, J.; Boldyreva, E. V.","Effect of pressure on two polymorphs of tolazamide: why no interconversion?","CrystEngComm","2017","19","16","2243","","10.1039/C6CE02527G","","","0.71073","MoKα","","0.0719","0.0416","","","0.0691","0.078","","","","","","1.106","","","","has coordinates","211417","2020-10-21","18:00:00",""
"7228022","5.9669","0.0003","8.6945","0.0018","12.9785","0.0009","80.432","0.01","85.884","0.005","85.774","0.008","660.93","0.15","293","2","293","2","2130000","","2130000","","","","","5","P -1","-P 1","2","tolazamide","N-[(azepan-1-ylamino)carbonyl]-4-methylbenzenesulfonamide","","- C14 H21 N3 O3 S -","- C14 H21 N3 O3 S -","- C28 H42 N6 O6 S2 -","2","1","","Fedorov, A. Yu.; Rychkov, D. A.; Losev, E. A.; Zakharov, B. A.; Stare, J.; Boldyreva, E. V.","Effect of pressure on two polymorphs of tolazamide: why no interconversion?","CrystEngComm","2017","19","16","2243","","10.1039/C6CE02527G","","","0.71073","MoKα","","0.1204","0.0664","","","0.1401","0.172","","","","","","1.025","","","","has coordinates","211416","2020-10-21","18:00:00",""
"7228023","6.0542","0.0006","8.807","0.003","13.095","0.002","80.05","0.02","86.26","0.011","85.728","0.019","684.8","0.3","293","2","293","2","1330000","","1330000","","","","","5","P -1","-P 1","2","tolazamide","N-[(azepan-1-ylamino)carbonyl]-4-methylbenzenesulfonamide","","- C14 H21 N3 O3 S -","- C14 H21 N3 O3 S -","- C28 H42 N6 O6 S2 -","2","1","","Fedorov, A. Yu.; Rychkov, D. A.; Losev, E. A.; Zakharov, B. A.; Stare, J.; Boldyreva, E. V.","Effect of pressure on two polymorphs of tolazamide: why no interconversion?","CrystEngComm","2017","19","16","2243","","10.1039/C6CE02527G","","","0.71073","MoKα","","0.1434","0.075","","","0.1709","0.2213","","","","","","1.041","","","","has coordinates","211416","2020-10-21","18:00:00",""
"7228024","6.0717","0.0003","8.5574","0.0005","13.251","0.002","81.402","0.009","86.675","0.009","82.667","0.005","674.66","0.12","293","2","293","2","","","1730000","","","","","5","P -1","-P 1","2","tolazamide","N-[(azepan-1-ylamino)carbonyl]-4-methylbenzenesulfonamide","","- C14 H21 N3 O3 S -","- C14 H21 N3 O3 S -","- C28 H42 N6 O6 S2 -","2","1","","Fedorov, A. Yu.; Rychkov, D. A.; Losev, E. A.; Zakharov, B. A.; Stare, J.; Boldyreva, E. V.","Effect of pressure on two polymorphs of tolazamide: why no interconversion?","CrystEngComm","2017","19","16","2243","","10.1039/C6CE02527G","","","0.71073","MoKα","","0.0802","0.0465","","","0.0964","0.1153","","","","","","0.935","","","","has coordinates,has disorder","211417","2020-10-21","18:00:00",""
"7228025","5.9122","0.0003","8.617","0.004","12.915","0.0017","80.61","0.019","85.576","0.007","85.688","0.012","645.9","0.3","293","2","293","2","2720000","","2720000","","","","","5","P -1","-P 1","2","tolazamide","N-[(azepan-1-ylamino)carbonyl]-4-methylbenzenesulfonamide","","- C14 H21 N3 O3 S -","- C14 H21 N3 O3 S -","- C28 H42 N6 O6 S2 -","2","1","","Fedorov, A. Yu.; Rychkov, D. A.; Losev, E. A.; Zakharov, B. A.; Stare, J.; Boldyreva, E. V.","Effect of pressure on two polymorphs of tolazamide: why no interconversion?","CrystEngComm","2017","19","16","2243","","10.1039/C6CE02527G","","","0.71073","MoKα","","0.1297","0.0727","","","0.1649","0.2127","","","","","","1.025","","","","has coordinates","211416","2020-10-21","18:00:00",""
"7228026","5.7692","0.0002","8.421","0.002","12.7212","0.0011","81.231","0.012","84.74","0.005","85.557","0.009","606.96","0.16","293","2","293","2","5010000","","5010000","","","","","5","P -1","-P 1","2","tolazamide","N-[(azepan-1-ylamino)carbonyl]-4-methylbenzenesulfonamide","","- C14 H21 N3 O3 S -","- C14 H21 N3 O3 S -","- C28 H42 N6 O6 S2 -","2","1","","Fedorov, A. Yu.; Rychkov, D. A.; Losev, E. A.; Zakharov, B. A.; Stare, J.; Boldyreva, E. V.","Effect of pressure on two polymorphs of tolazamide: why no interconversion?","CrystEngComm","2017","19","16","2243","","10.1039/C6CE02527G","","","0.71073","MoKα","","0.0928","0.053","","","0.0904","0.1092","","","","","","1.053","","","","has coordinates","211416","2020-10-21","18:00:00",""
"7228027","5.9953","0.0003","8.4598","0.0004","13.189","0.002","81.453","0.009","86.954","0.009","82.427","0.004","655.35","0.11","293","2","293","2","","","2500000","","","","","5","P -1","-P 1","2","tolazamide","N-[(azepan-1-ylamino)carbonyl]-4-methylbenzenesulfonamide","","- C14 H21 N3 O3 S -","- C14 H21 N3 O3 S -","- C28 H42 N6 O6 S2 -","2","1","","Fedorov, A. Yu.; Rychkov, D. A.; Losev, E. A.; Zakharov, B. A.; Stare, J.; Boldyreva, E. V.","Effect of pressure on two polymorphs of tolazamide: why no interconversion?","CrystEngComm","2017","19","16","2243","","10.1039/C6CE02527G","","","0.71073","MoKα","","0.0748","0.042","","","0.0933","0.1144","","","","","","0.986","","","","has coordinates,has disorder","211417","2020-10-21","18:00:00",""
"7228028","6.1901","0.0004","8.6946","0.0006","13.321","0.003","81.572","0.011","86.221","0.01","83.18","0.005","703.32","0.17","293","2","293","2","","","1010000","","","","","5","P -1","-P 1","2","tolazamide","N-[(azepan-1-ylamino)carbonyl]-4-methylbenzenesulfonamide","","- C14 H21 N3 O3 S -","- C14 H21 N3 O3 S -","- C28 H42 N6 O6 S2 -","2","1","","Fedorov, A. Yu.; Rychkov, D. A.; Losev, E. A.; Zakharov, B. A.; Stare, J.; Boldyreva, E. V.","Effect of pressure on two polymorphs of tolazamide: why no interconversion?","CrystEngComm","2017","19","16","2243","","10.1039/C6CE02527G","","","0.71073","MoKα","","0.0854","0.0486","","","0.1118","0.1353","","","","","","0.943","","","","has coordinates,has disorder","211417","2020-10-21","18:00:00",""
"7228029","5.8398","0.0003","8.2425","0.0004","13.031","0.003","81.891","0.008","87.556","0.008","82.156","0.004","614.98","0.15","293","2","293","2","","","4720000","","","","","5","P -1","-P 1","2","tolazamide","N-[(azepan-1-ylamino)carbonyl]-4-methylbenzenesulfonamide","","- C14 H21 N3 O3 S -","- C14 H21 N3 O3 S -","- C28 H42 N6 O6 S2 -","2","1","","Fedorov, A. Yu.; Rychkov, D. A.; Losev, E. A.; Zakharov, B. A.; Stare, J.; Boldyreva, E. V.","Effect of pressure on two polymorphs of tolazamide: why no interconversion?","CrystEngComm","2017","19","16","2243","","10.1039/C6CE02527G","","","0.71073","MoKα","","0.0679","0.0433","","","0.095","0.1081","","","","","","1.071","","","","has coordinates","211417","2020-10-21","18:00:00",""
"7228030","8.1532","0.0005","10.2921","0.0007","12.9838","0.0011","66.763","0.007","88.564","0.006","73.285","0.006","953.98","0.14","293","2","293","2","","","","","","","","3","P -1","-P 1","2","","","","- C25 H22 N2 -","- C25 H22 N2 -","- C50 H44 N4 -","2","1","","Fu, Hongyu; Xu, Ning; Pan, Yi-Ming; Lu, Xiao-Lin; Xia, Min","Emission behaviours of novel V- and X-shaped fluorophores in response to pH and force stimuli","Phys. Chem. Chem. Phys.","2017","","","","","10.1039/C7CP01281K","","","1.54184","CuKα","","0.0535","0.0456","","","0.1172","0.1268","","","","","","1.056","","","","has coordinates","195260","2020-10-21","18:00:00",""
"7228031","12.487","0.01","12.487","0.01","9.776","0.011","90","","90","","90","","1524","2","296","2","296","2","","","","","","","","5","P 43","P 4cw","78","","","","- C11 H14 N2 O4 Zn -","- C11 H14 N2 O4 Zn -","- C44 H56 N8 O16 Zn4 -","4","1","","Duan, Jingui; Zou, Changchang; Li, Qianqian; Cheng, Fujun; Wang, Haijun; Jin, Wanqin","Homochiral porous coordination polymers with rare utk topology and two kinds of uniform channels for enantioseparation","CrystEngComm","2017","","","","","10.1039/C7CE00522A","","","0.71073","MoKα","","0.1655","0.1094","","","0.2513","0.2786","","","","","","0.903","","","","has coordinates","195272","2020-10-21","18:00:00",""
"7228032","12.8","0.003","12.8","0.003","9.984","0.005","90","","90","","90","","1635.8","1","296","2","296","2","","","","","","","","5","P 41","P 4w","76","","","","- C11 H14 N2 O4 Zn -","- C11 H14 N2 O4 Zn -","- C44 H56 N8 O16 Zn4 -","4","1","","Duan, Jingui; Zou, Changchang; Li, Qianqian; Cheng, Fujun; Wang, Haijun; Jin, Wanqin","Homochiral porous coordination polymers with rare utk topology and two kinds of uniform channels for enantioseparation","CrystEngComm","2017","","","","","10.1039/C7CE00522A","","","0.71073","MoKα","","0.0632","0.0529","","","0.1297","0.1348","","","","","","1.005","","","","has coordinates","195272","2020-10-21","18:00:00",""
"7228033","32.49","0.005","32.49","0.005","25.78","0.005","90","","90","","90","","27213","8","293","2","296","2","","","","","","","","5","I 4","I 4","79","","DUT-129","","- C52 H60 N4 O8 Zn -","- C52 H60 N4 O8 Zn -","- C624 H720 N48 O96 Zn12 -","12","1.5","","Kutzscher, Christel; Müller, Daniel; Notzon, Andreas; Stoeck, Ulrich; Bon, Volodymyr; Senkovska, Irena; Kaskel, Stefan; Glorius, Frank","Synthesis of the homochiral metal-organic framework DUT-129 based on a chiral dicarboxylate linker with 6 stereocenters.","CrystEngComm","2017","","","","","10.1039/C7CE00410A","","x-ray","0.88561","synchrotron","","0.1579","0.0669","","","0.1498","0.1952","","","","","","0.906","","","","has coordinates","195273","2020-10-21","18:00:00",""
"7228034","19.3336","0.0015","23.1519","0.0018","14.0857","0.0012","90","","130.241","0.001","90","","4812.7","0.7","296","2","296","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C26 H29 I N2 O2 -","- C26 H29 I N2 O2 -","- C208 H232 I8 N16 O16 -","8","1","","Thapaliya, Ek Raj; Garcia-Amorós, Jaume; Nonell, Santi; Captain, Burjor; Raymo, Francisco M.","Structural Implications on the Excitation Dynamics of Fluorescent 3H-Indolium Cations","Phys. Chem. Chem. Phys.","2017","","","","","10.1039/C7CP01841J","","","0.71073","MoKα","","0.0757","0.039","","","0.0765","0.0895","","","","","","1.01","","","","has coordinates","195282","2020-10-21","18:00:00",""
"7228035","8.4113","0.0006","15.752","0.0012","21.6939","0.0016","90","","95.3864","0.0014","90","","2861.6","0.4","100","","100","","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C27 H31 Cl2 F6 N2 O2 P -","- C27 H31 Cl2 F6 N2 O2 P -","- C108 H124 Cl8 F24 N8 O8 P4 -","4","1","","Thapaliya, Ek Raj; Garcia-Amorós, Jaume; Nonell, Santi; Captain, Burjor; Raymo, Francisco M.","Structural Implications on the Excitation Dynamics of Fluorescent 3H-Indolium Cations","Phys. Chem. Chem. Phys.","2017","","","","","10.1039/C7CP01841J","","","0.71073","MoKα","","0.097","0.0802","","","0.2262","0.2411","","","","","","1.034","","","","has coordinates","195282","2020-10-21","18:00:00",""
"7228036","7.9573","0.0008","10.3708","0.0008","14.498","0.0013","90.488","0.007","96.737","0.008","100.862","0.007","1166.3","0.18","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C27 H18 Cd N2 O8 -","- C27 H18 Cd N2 O8 -","- C54 H36 Cd2 N4 O16 -","2","1","","Gu, Jinzhong; Kirillov, Alexander M.; Liang, Xiaoxiao; Cui, Yanhui; Wu, Jiang; Shi, Zi-Fa","Introducing 2-(2-carboxyphenoxy)terephthalic acid as a new versatile building block for design of diverse coordination polymers: Synthesis, structural features, luminescence sensing, and magnetism","CrystEngComm","2017","","","","","10.1039/C7CE00219J","","","0.71073","MoKα","","0.0615","0.0425","","","0.0691","0.0799","","","","","","1.056","","","","has coordinates","195324","2020-10-21","18:00:00",""
"7228037","21.8374","0.0009","10.3384","0.0005","24.6652","0.0012","90","","95.758","0.004","90","","5540.4","0.4","293","2","293","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C66 H42 Mn3 N6 O16 -","- C66 H42 Mn3 N6 O16 -","- C264 H168 Mn12 N24 O64 -","4","0.5","","Gu, Jinzhong; Kirillov, Alexander M.; Liang, Xiaoxiao; Cui, Yanhui; Wu, Jiang; Shi, Zi-Fa","Introducing 2-(2-carboxyphenoxy)terephthalic acid as a new versatile building block for design of diverse coordination polymers: Synthesis, structural features, luminescence sensing, and magnetism","CrystEngComm","2017","","","","","10.1039/C7CE00219J","","","0.71073","MoKα","","0.0858","0.0517","","","0.0839","0.1017","","","","","","1.05","","","","has coordinates","195324","2020-10-21","18:00:00",""
"7228038","10.3948","0.001","7.9986","0.0006","28.3241","0.0017","90","","93.65","0.007","90","","2350.2","0.3","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C27 H18 Mn N2 O8 -","- C27 H18 Mn N2 O8 -","- C108 H72 Mn4 N8 O32 -","4","1","","Gu, Jinzhong; Kirillov, Alexander M.; Liang, Xiaoxiao; Cui, Yanhui; Wu, Jiang; Shi, Zi-Fa","Introducing 2-(2-carboxyphenoxy)terephthalic acid as a new versatile building block for design of diverse coordination polymers: Synthesis, structural features, luminescence sensing, and magnetism","CrystEngComm","2017","","","","","10.1039/C7CE00219J","","","0.71073","MoKα","","0.0588","0.041","","","0.0838","0.0932","","","","","","1.011","","","","has coordinates","195324","2020-10-21","18:00:00",""
"7228039","9.9405","0.0004","17.5969","0.0007","19.2671","0.0007","90","","95.778","0.004","90","","3353.1","0.2","293","2","293","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C39 H23 Cd2 Cl N4 O7 -","- C39 H23 Cd2 Cl N4 O7 -","- C156 H92 Cd8 Cl4 N16 O28 -","4","1","","Gu, Jinzhong; Kirillov, Alexander M.; Liang, Xiaoxiao; Cui, Yanhui; Wu, Jiang; Shi, Zi-Fa","Introducing 2-(2-carboxyphenoxy)terephthalic acid as a new versatile building block for design of diverse coordination polymers: Synthesis, structural features, luminescence sensing, and magnetism","CrystEngComm","2017","","","","","10.1039/C7CE00219J","","","0.71073","MoKα","","0.0835","0.0474","","","0.0819","0.1061","","","","","","1.015","","","","has coordinates","195324","2020-10-21","18:00:00",""
"7228040","14.9155","0.0011","20.1133","0.0009","14.3821","0.0007","90","","105.87","0.006","90","","4150.2","0.4","293","2","293","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C40 H24 Cd3 N2 O14 -","- C40 H24 Cd3 N2 O14 -","- C160 H96 Cd12 N8 O56 -","4","0.5","","Gu, Jinzhong; Kirillov, Alexander M.; Liang, Xiaoxiao; Cui, Yanhui; Wu, Jiang; Shi, Zi-Fa","Introducing 2-(2-carboxyphenoxy)terephthalic acid as a new versatile building block for design of diverse coordination polymers: Synthesis, structural features, luminescence sensing, and magnetism","CrystEngComm","2017","","","","","10.1039/C7CE00219J","","","0.71073","MoKα","","0.0436","0.0319","","","0.0563","0.0613","","","","","","0.99","","","","has coordinates","195324","2020-10-21","18:00:00",""
"7228041","11.6055","0.0005","14.9903","0.0004","13.1804","0.0009","90","","114.102","0.007","90","","2093.1","0.2","293","2","293","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C42 H26 Cd3 N8 O14 -","- C42 H26 Cd3 N8 O14 -","- C84 H52 Cd6 N16 O28 -","2","0.5","","Gu, Jinzhong; Kirillov, Alexander M.; Liang, Xiaoxiao; Cui, Yanhui; Wu, Jiang; Shi, Zi-Fa","Introducing 2-(2-carboxyphenoxy)terephthalic acid as a new versatile building block for design of diverse coordination polymers: Synthesis, structural features, luminescence sensing, and magnetism","CrystEngComm","2017","","","","","10.1039/C7CE00219J","","","0.71073","MoKα","","0.0552","0.0358","","","0.0662","0.0776","","","","","","1.025","","","","has coordinates","195324","2020-10-21","18:00:00",""
"7228042","12.1882","0.0005","15.0139","0.0004","13.241","0.0006","90","","114.569","0.005","90","","2203.63","0.17","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C50 H30 Mn3 N4 O14 -","- C50 H30 Mn3 N4 O14 -","- C100 H60 Mn6 N8 O28 -","2","0.5","","Gu, Jinzhong; Kirillov, Alexander M.; Liang, Xiaoxiao; Cui, Yanhui; Wu, Jiang; Shi, Zi-Fa","Introducing 2-(2-carboxyphenoxy)terephthalic acid as a new versatile building block for design of diverse coordination polymers: Synthesis, structural features, luminescence sensing, and magnetism","CrystEngComm","2017","","","","","10.1039/C7CE00219J","","","0.71073","MoKα","","0.0585","0.0399","","","0.0715","0.0821","","","","","","1.069","","","","has coordinates","195324","2020-10-21","18:00:00",""
"7228043","17.3969","0.001","22.9035","0.0012","14.6548","0.0009","90","","99.242","0.005","90","","5763.4","0.6","293","2","293","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C66 H46 N6 O17 Zn3 -","- C66 H46 N6 O17 Zn3 -","- C264 H184 N24 O68 Zn12 -","4","0.5","","Gu, Jinzhong; Kirillov, Alexander M.; Liang, Xiaoxiao; Cui, Yanhui; Wu, Jiang; Shi, Zi-Fa","Introducing 2-(2-carboxyphenoxy)terephthalic acid as a new versatile building block for design of diverse coordination polymers: Synthesis, structural features, luminescence sensing, and magnetism","CrystEngComm","2017","","","","","10.1039/C7CE00219J","","","0.71073","MoKα","","0.1167","0.0638","","","0.1092","0.139","","","","","","1.011","","","","has coordinates","195324","2020-10-21","18:00:00",""
"7228044","22.5877","0.0005","10.2617","0.0002","24.0631","0.0005","90","","95.087","0.002","90","","5555.6","0.2","293","2","293","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C66 H42 Cd3 N6 O16 -","- C66 H42 Cd3 N6 O16 -","- C264 H168 Cd12 N24 O64 -","4","0.5","","Gu, Jinzhong; Kirillov, Alexander M.; Liang, Xiaoxiao; Cui, Yanhui; Wu, Jiang; Shi, Zi-Fa","Introducing 2-(2-carboxyphenoxy)terephthalic acid as a new versatile building block for design of diverse coordination polymers: Synthesis, structural features, luminescence sensing, and magnetism","CrystEngComm","2017","","","","","10.1039/C7CE00219J","","","0.71073","MoKα","","0.0482","0.033","","","0.0571","0.0655","","","","","","1.04","","","","has coordinates","195324","2020-10-21","18:00:00",""
"7228045","9.581","0.0003","41.4136","0.0015","9.8344","0.0004","90","","98.146","0.004","90","","3862.8","0.2","293","2","293","2","","","","","","","","5","P 1 21/m 1","-P 2yb","11","","","","- C81 H58 N9 Ni3 O17 -","- C81 H58 N9 Ni3 O17 -","- C162 H116 N18 Ni6 O34 -","2","0.5","","Gu, Jinzhong; Kirillov, Alexander M.; Liang, Xiaoxiao; Cui, Yanhui; Wu, Jiang; Shi, Zi-Fa","Introducing 2-(2-carboxyphenoxy)terephthalic acid as a new versatile building block for design of diverse coordination polymers: Synthesis, structural features, luminescence sensing, and magnetism","CrystEngComm","2017","","","","","10.1039/C7CE00219J","","","0.71073","MoKα","","0.0816","0.0556","","","0.1345","0.1537","","","","","","1.039","","","","has coordinates","195324","2020-10-21","18:00:00",""
"7228046","18.7994","0.0007","13.0415","0.0008","16.9882","0.001","90","","93.823","0.005","90","","4155.8","0.4","293","2","293","2","","","","","","","","5","I 2/c 1 1","-I 2yc","15","","","","- C21 H12 N4 O7 Zn2 -","- C21 H12 N4 O7 Zn2 -","- C168 H96 N32 O56 Zn16 -","8","1","","Gu, Jinzhong; Kirillov, Alexander M.; Liang, Xiaoxiao; Cui, Yanhui; Wu, Jiang; Shi, Zi-Fa","Introducing 2-(2-carboxyphenoxy)terephthalic acid as a new versatile building block for design of diverse coordination polymers: Synthesis, structural features, luminescence sensing, and magnetism","CrystEngComm","2017","","","","","10.1039/C7CE00219J","","","0.71073","MoKα","","0.0795","0.0502","","","0.114","0.1311","","","","","","1.015","","","","has coordinates","195324","2020-10-21","18:00:00",""
"7228047","10.8678","0.0006","14.2781","0.0009","14.568","0.0006","109.047","0.005","103.976","0.004","90.04","0.005","2065.7","0.2","294.2","0.3","294.2","0.3","","","","","","","","5","P -1","-P 1","2","","","","- C30 H25 Cd3 Cl O19 -","- C30 H25 Cd3 Cl O19 -","- C60 H50 Cd6 Cl2 O38 -","2","1","","Gu, Jinzhong; Kirillov, Alexander M.; Liang, Xiaoxiao; Cui, Yanhui; Wu, Jiang; Shi, Zi-Fa","Introducing 2-(2-carboxyphenoxy)terephthalic acid as a new versatile building block for design of diverse coordination polymers: Synthesis, structural features, luminescence sensing, and magnetism","CrystEngComm","2017","","","","","10.1039/C7CE00219J","","x-ray","0.71073","MoKα","","0.0839","0.0731","","","0.1765","0.1812","","","","","","1.14","","","","has coordinates","195324","2020-10-21","18:00:00",""
"7228048","11.6968","0.0004","16.3288","0.0003","13.0831","0.0005","90","","115.442","0.004","90","","2256.47","0.14","292.8","0.1","292.8","0.1","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C54 H34 Cd3 N4 O16 -","- C54 H34 Cd3 N4 O16 -","- C108 H68 Cd6 N8 O32 -","2","0.5","","Gu, Jinzhong; Kirillov, Alexander M.; Liang, Xiaoxiao; Cui, Yanhui; Wu, Jiang; Shi, Zi-Fa","Introducing 2-(2-carboxyphenoxy)terephthalic acid as a new versatile building block for design of diverse coordination polymers: Synthesis, structural features, luminescence sensing, and magnetism","CrystEngComm","2017","","","","","10.1039/C7CE00219J","","x-ray","0.71073","MoKα","","0.0461","0.0356","","","0.0721","0.0806","","","","","","0.997","","","","has coordinates","195324","2020-10-21","18:00:00",""
"7228049","9.0919","0.0005","11.467","0.0006","18.2129","0.0009","101.076","0.002","90.19","0.002","96.853","0.002","1849.47","0.17","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C38 H45 N5 O6 Zn -","- C38 H45 N5 O6 Zn -","- C76 H90 N10 O12 Zn2 -","2","1","","Wang, Wen-Jie; Hao, Liang; Chen, Chao-Yuan; Qiu, Qi-Ming; Wang, Ke; Song, Jian-Biao; Li, Hui","Red-shift in fluorescence emission of D‒A type asymmetrical Zn(ii) complexes by extending the π‒π stacking interaction","RSC Adv.","2017","7","33","20488","","10.1039/C7RA01135K","","","0.71073","MoKα","","0.0539","0.0366","","","0.1009","0.1134","","","","","","1.047","","","","has coordinates","195327","2020-10-21","18:00:00",""
"7228050","23.447","0.003","18.503","0.003","14.697","0.002","90","","109.402","0.005","90","","6014","1.5","296","2","296","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C30 H35 N3 O5 Zn -","- C30 H35 N3 O5 Zn -","- C240 H280 N24 O40 Zn8 -","8","1","","Wang, Wen-Jie; Hao, Liang; Chen, Chao-Yuan; Qiu, Qi-Ming; Wang, Ke; Song, Jian-Biao; Li, Hui","Red-shift in fluorescence emission of D‒A type asymmetrical Zn(ii) complexes by extending the π‒π stacking interaction","RSC Adv.","2017","7","33","20488","","10.1039/C7RA01135K","","","0.71073","MoKα","","0.1261","0.0444","","","0.0735","0.0877","","","","","","0.786","","","","has coordinates","195327","2020-10-21","18:00:00",""
"7228051","13.3099","0.0007","32.1189","0.0018","18.9918","0.001","90","","94.049","0.001","90","","8098.7","0.8","296","2","296","2","","","","","","","","8","P 1 21/n 1","-P 2yn","14","","","","- C17 H105 N33 O129 P4 Sn2 W30 Zn2 -","- C17 H74 N33 O126 P4 Sn2 W30 Zn2 -","- C34 H148 N66 O252 P8 Sn4 W60 Zn4 -","2","0.5","","Guo, Li-Ying; Li, Ying; Zhang, Yao; Li, Jian-Sheng; You, Wan-Sheng; Su, Fang; Zhu, Zai-Ming; Sang, Xiao-Jing; Zhang, Lan-Cui","Extended visible photosensitivity of carboxyethyltin functionalized polyoxometalates with common organic dyes enabling enhanced photoelectric performance","RSC Adv.","2017","7","33","20685","","10.1039/C7RA02353G","","","0.71073","MoKα","","0.0754","0.0455","","","0.0997","0.1109","","","","","","1.038","","","","has coordinates,has disorder","195328","2020-10-21","18:00:00",""
"7228052","13.3227","0.0007","32.2012","0.0016","19.096","0.001","90","","94.054","0.001","90","","8171.8","0.7","296","2","296","2","","","","","","","","8","P 1 21/n 1","-P 2yn","14","","","","- C18 H112 Cu2 N36 O130 P4 Sn2 W30 -","- C18 H80 Cu2 N36 O123 P4 Sn2 W30 -","- C36 H160 Cu4 N72 O246 P8 Sn4 W60 -","2","0.5","","Guo, Li-Ying; Li, Ying; Zhang, Yao; Li, Jian-Sheng; You, Wan-Sheng; Su, Fang; Zhu, Zai-Ming; Sang, Xiao-Jing; Zhang, Lan-Cui","Extended visible photosensitivity of carboxyethyltin functionalized polyoxometalates with common organic dyes enabling enhanced photoelectric performance","RSC Adv.","2017","7","33","20685","","10.1039/C7RA02353G","","","0.71073","MoKα","","0.0936","0.0501","","","0.1083","0.1264","","","","","","1.015","","","","has coordinates","195328","2020-10-21","18:00:00",""
"7228053","8.5054","0.0002","10.2435","0.0002","10.9144","0.0003","63.35","0.002","71.042","0.002","82.5615","0.0019","803.65","0.04","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","","","- C15 H15 N O8 Yb -","- C15 H15 N O8 Yb -","- C30 H30 N2 O16 Yb2 -","2","1","","Breeze, Matthew I.; Chamberlain, Thomas W.; Clarkson, Guy J.; de Camargo, Raíssa Pires; Wu, Yue; de Lima, Juliana Fonseca; Millange, Franck; Serra, Osvaldo A.; O'Hare, Dermot; Walton, Richard I.","Structural variety in ytterbium dicarboxylate frameworks and in situ study diffraction of their solvothermal crystallisation","CrystEngComm","2017","19","17","2424","","10.1039/C7CE00481H","","","0.71073","MoKα","","0.0168","0.0162","","","0.0362","0.0365","","","","","","1.067","","","","has coordinates","196373","2020-10-21","18:00:00",""
"7228054","10.56825","0.00017","12.66272","0.00019","6.6229","0.00013","90","","95.2274","0.0017","90","","882.61","0.03","296","3","296","3","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C9 H5 O6 Yb -","- C9 H5 O6 Yb -","- C36 H20 O24 Yb4 -","4","1","","Breeze, Matthew I.; Chamberlain, Thomas W.; Clarkson, Guy J.; de Camargo, Raíssa Pires; Wu, Yue; de Lima, Juliana Fonseca; Millange, Franck; Serra, Osvaldo A.; O'Hare, Dermot; Walton, Richard I.","Structural variety in ytterbium dicarboxylate frameworks and in situ study diffraction of their solvothermal crystallisation","CrystEngComm","2017","19","17","2424","","10.1039/C7CE00481H","","x-ray","1.54184","CuKα","","0.0627","0.0561","","","0.1522","0.1554","","","","","","1.066","","","","has coordinates","196373","2020-10-21","18:00:00",""
"7228055","18.295","0.0004","10.8482","0.0002","17.3984","0.0004","90","","101.395","0.002","90","","3384.96","0.13","100","2","100","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C15 H14 N O7.5 Yb -","- C15 H14 N O7.5 Yb -","- C120 H112 N8 O60 Yb8 -","8","1","","Breeze, Matthew I.; Chamberlain, Thomas W.; Clarkson, Guy J.; de Camargo, Raíssa Pires; Wu, Yue; de Lima, Juliana Fonseca; Millange, Franck; Serra, Osvaldo A.; O'Hare, Dermot; Walton, Richard I.","Structural variety in ytterbium dicarboxylate frameworks and in situ study diffraction of their solvothermal crystallisation","CrystEngComm","2017","19","17","2424","","10.1039/C7CE00481H","","x-ray","0.71073","MoKα","","0.0478","0.0358","","","0.1042","0.1155","","","","","","1.03","","","","has coordinates","196373","2020-10-21","18:00:00",""
"7228056","8.4515","0.0002","12.3972","0.0004","12.568","0.0003","110.453","0.002","102.132","0.002","109.619","0.003","1079.2","0.07","150","2","150","2","","","","","","","","5","P -1","-P 1","2","","","","- C21 H20 N O9 Yb -","- C21 H20 N O9 Yb -","- C42 H40 N2 O18 Yb2 -","2","1","","Breeze, Matthew I.; Chamberlain, Thomas W.; Clarkson, Guy J.; de Camargo, Raíssa Pires; Wu, Yue; de Lima, Juliana Fonseca; Millange, Franck; Serra, Osvaldo A.; O'Hare, Dermot; Walton, Richard I.","Structural variety in ytterbium dicarboxylate frameworks and in situ study diffraction of their solvothermal crystallisation","CrystEngComm","2017","19","17","2424","","10.1039/C7CE00481H","","x-ray","0.71073","MoKα","","0.0452","0.0403","","","0.1032","0.1065","","","","","","1.041","","","","has coordinates,has disorder","196373","2020-10-21","18:00:00",""
"7228057","30.261","0.006","9.6957","0.0019","21.35","0.004","90","","120.61","0.03","90","","5391","2","153","2","153","2","","","","","","","","6","C 1 2 1","C 2y","5","","","","- C42 H58 Cu2 N8 O27 P2 -","- C42 H58 Cu2 N8 O27 P2 -","- C168 H232 Cu8 N32 O108 P8 -","4","1","","Gu, Leilei; Qiu, Qi-ming; Zhou, Pei; Hao, Liang; Liu, Minghua; Li, Hui","Unusual crystal structure and chirality of uridine 5′-monophosphate coordination polymer","RSC Adv.","2017","7","34","20840","","10.1039/C7RA00851A","","","0.71073","MoKα","","0.0838","0.0732","","","0.1934","0.2043","","","","","","1.045","","","","has coordinates,has disorder","195340","2020-10-21","18:00:00",""
"7228058","10.364","0.003","20.041","0.006","15.393","0.004","90","","98.08","0.007","90","","3165.5","1.6","296","2","296","2","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C42 H68 Cu2 N12 O31 P2 -","- C42 H68 Cu2 N12 O31 P2 -","- C84 H136 Cu4 N24 O62 P4 -","2","1","","Gu, Leilei; Qiu, Qi-ming; Zhou, Pei; Hao, Liang; Liu, Minghua; Li, Hui","Unusual crystal structure and chirality of uridine 5′-monophosphate coordination polymer","RSC Adv.","2017","7","34","20840","","10.1039/C7RA00851A","","","0.71073","MoKα","","0.1104","0.071","","","0.1672","0.1815","","","","","","1.046","","","","has coordinates","195340","2020-10-21","18:00:00",""
"7228059","6.9551","0.0008","10.549","0.0011","11.4502","0.0012","109.409","0.004","99.928","0.004","98.943","0.004","759.75","0.15","299","2","299","2","","","","","","","","5","P -1","-P 1","2","","","","- C20 H32 Cu Dy2 O24 -","- C20 H32 Cu Dy2 O24 -","- C20 H32 Cu Dy2 O24 -","1","0.5","","Li, Zhongyi; Zhang, Chi; Zhai, Bin; Han, Jing-Cheng; Pei, Meng-Chun; Zhang, Jian-Jun; Zhang, Fuli; Li, Suzhi; Cao, Guangxiu","Linking heterometallic Cu-Ln chain unit with 2-methylenesuccinate bridge to form 2D network exhibiting large magnetocaloric effect","CrystEngComm","2017","","","","","10.1039/C7CE00356K","","","0.71073","MoKα","","0.023","0.0211","","","0.0555","0.0566","","","","","","1.048","","","","has coordinates","195397","2020-10-21","18:00:00",""
"7228060","7.0117","0.0005","10.8073","0.0009","11.6598","0.0009","108.747","0.002","100.358","0.002","99.018","0.002","800.92","0.11","298","2","298","2","","","","","","","","5","P -1","-P 1","2","","","","- C20 H32 Cu La2 O24 -","- C20 H28 Cu La2 O24 -","- C20 H28 Cu La2 O24 -","1","0.5","","Li, Zhongyi; Zhang, Chi; Zhai, Bin; Han, Jing-Cheng; Pei, Meng-Chun; Zhang, Jian-Jun; Zhang, Fuli; Li, Suzhi; Cao, Guangxiu","Linking heterometallic Cu-Ln chain unit with 2-methylenesuccinate bridge to form 2D network exhibiting large magnetocaloric effect","CrystEngComm","2017","","","","","10.1039/C7CE00356K","","","0.71073","MoKα","","0.0204","0.0188","","","0.0513","0.0526","","","","","","1.041","","","","has coordinates,has disorder","195397","2020-10-21","18:00:00",""
"7228061","6.9675","0.0008","10.6078","0.0012","11.4879","0.0013","109.198","0.003","100.025","0.003","98.983","0.003","768.54","0.15","298","2","298","2","","","","","","","","5","P -1","-P 1","2","","","","- C20 H32 Cu Gd2 O24 -","- C20 H32 Cu Gd2 O24 -","- C20 H32 Cu Gd2 O24 -","1","0.5","","Li, Zhongyi; Zhang, Chi; Zhai, Bin; Han, Jing-Cheng; Pei, Meng-Chun; Zhang, Jian-Jun; Zhang, Fuli; Li, Suzhi; Cao, Guangxiu","Linking heterometallic Cu-Ln chain unit with 2-methylenesuccinate bridge to form 2D network exhibiting large magnetocaloric effect","CrystEngComm","2017","","","","","10.1039/C7CE00356K","","","0.71073","MoKα","","0.0234","0.0228","","","0.0618","0.0622","","","","","","1.062","","","","has coordinates","195397","2020-10-21","18:00:00",""
"7228062","6.963","0.0004","10.5852","0.0005","11.4644","0.0006","109.296","0.002","99.958","0.002","98.927","0.002","764.74","0.07","299","2","299","2","","","","","","","","5","P -1","-P 1","2","","","","- C20 H32 Cu O24 Tb2 -","- C20 H32 Cu O24 Tb2 -","- C20 H32 Cu O24 Tb2 -","1","0.5","","Li, Zhongyi; Zhang, Chi; Zhai, Bin; Han, Jing-Cheng; Pei, Meng-Chun; Zhang, Jian-Jun; Zhang, Fuli; Li, Suzhi; Cao, Guangxiu","Linking heterometallic Cu-Ln chain unit with 2-methylenesuccinate bridge to form 2D network exhibiting large magnetocaloric effect","CrystEngComm","2017","","","","","10.1039/C7CE00356K","","","0.71073","MoKα","","0.0238","0.0229","","","0.0616","0.0622","","","","","","1.05","","","","has coordinates","195397","2020-10-21","18:00:00",""
"7228063","11.86816","0.00016","11.86816","0.00016","11.6198","0.0002","90","","90","","90","","1636.69","0.04","150","","150","","","","","","","","synthesized","5","P 4/n :2","-P 4a","85","","","","- C31 H32 Cl2 N8 O4 -","- C31 H32 Cl2 N8 O4 -","- C62 H64 Cl4 N16 O8 -","2","0.25","","Morshedi, Mahbod; White, Nicholas G.","Mixed halide/oxoanion-templated frameworks","CrystEngComm","2017","19","17","2367","","10.1039/C7CE00265C","","","1.54184","CuKα","","0.0713","0.0706","","0.194","0.194","0.194","","","","","","1.0673","","","","has coordinates","196377","2020-10-21","18:00:00",""
"7228064","11.6729","0.0015","11.8954","0.0009","26.963","0.002","101.982","0.007","91.167","0.008","90.664","0.008","3661.1","0.6","150","","150","","","","","","","","synthesized","4","P -1","-P 1","2","","","","- C30.5 H39 N12 O14 -","- C30.5 H39 N12 O14 -","- C122 H156 N48 O56 -","4","2","","Morshedi, Mahbod; White, Nicholas G.","Mixed halide/oxoanion-templated frameworks","CrystEngComm","2017","19","17","2367","","10.1039/C7CE00265C","","","1.54184","CuKα","","0.1618","0.1386","","0.3474","0.3309","0.3474","","","","","","0.9703","","","","has coordinates","203412","2020-10-21","18:00:00",""
"7228065","12.07173","0.00018","12.07173","0.00018","11.3545","0.0003","90","","90","","90","","1654.65","0.06","150","","150","","","","","","","","synthesized","5","P 4/n :2","-P 4a","85","","","","- C31 H32 Br2 N8 O4 -","- C31 H32 Br2 N8 O4 -","- C62 H64 Br4 N16 O8 -","2","0.25","","Morshedi, Mahbod; White, Nicholas G.","Mixed halide/oxoanion-templated frameworks","CrystEngComm","2017","19","17","2367","","10.1039/C7CE00265C","","","1.54184","CuKα","","0.0754","0.0735","","0.188","0.1877","0.188","","","","","","1.0299","","","","has coordinates","196377","2020-10-21","18:00:00",""
"7228066","13.3818","0.0003","7.1209","0.0001","21.9744","0.0004","90","","95.8782","0.0019","90","","2082.94","0.07","150","","150","","","","","","","","synthesized","4","P 1 2/n 1","-P 2yac","13","","","","- C29 H32 Br4 N8 -","- C29 H32 Br4 N8 -","- C58 H64 Br8 N16 -","2","0.5","","Morshedi, Mahbod; White, Nicholas G.","Mixed halide/oxoanion-templated frameworks","CrystEngComm","2017","19","17","2367","","10.1039/C7CE00265C","","","1.54184","CuKα","","0.0417","0.0386","","0.1014","0.0974","0.1014","","","","","","0.9495","","","","has coordinates","196377","2020-10-21","18:00:00",""
"7228067","11.7352","0.0002","11.7352","0.0002","25.3812","0.0013","90","","90","","90","","3495.4","0.2","150","","150","","","","","","","","synthesized","4","P 4/n c c :2","-P 4a 2ac","130","","","","- C29 H32 Cl4 N8 -","- C29 H32 Cl4 N8 -","- C116 H128 Cl16 N32 -","4","0.25","","Morshedi, Mahbod; White, Nicholas G.","Mixed halide/oxoanion-templated frameworks","CrystEngComm","2017","19","17","2367","","10.1039/C7CE00265C","","","1.54184","CuKα","","0.1458","0.144","","0.2419","0.2413","0.2419","","","","","","1.0381","","","","has coordinates","196377","2020-10-21","18:00:00",""
"7228068","18.8984","0.0018","17.7031","0.0018","14.4754","0.0014","90","","96.602","0.002","90","","4810.8","0.8","293","2","293","2","","","","","","","","5","C 1 2 1","C 2y","5","","","","- C26 H15 N6 O11 Zn2 -","- C26 H10 N6 O11 Zn2 -","- C104 H40 N24 O44 Zn8 -","4","1","","Dai, Yue; Zhou, Huajun; Song, Xuedan; Zhang, Jian-Jun; Hao, Ce; Di, Ling; Wang, Yu-Xian; Ni, Jun; Wang, Hui-Long","Two (5, 5)-connected isomeric frameworks as highly selective and sensitive photoluminescent probes of nitroaromatics","CrystEngComm","2017","","","","","10.1039/C7CE00236J","","","0.71073","MoKα","","0.0452","0.038","","","0.0927","0.0954","","","","","","1.003","","","","has coordinates","195399","2020-10-21","18:00:00",""
"7228069","31.855","0.011","17.268","0.003","30.293","0.014","90","","116.25","0.03","90","","14945","10","100","2","100","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C26 H15 N6 O11 Zn2 -","- C26 H13 N6 O11 Zn2 -","- C208 H104 N48 O88 Zn16 -","8","1","","Dai, Yue; Zhou, Huajun; Song, Xuedan; Zhang, Jian-Jun; Hao, Ce; Di, Ling; Wang, Yu-Xian; Ni, Jun; Wang, Hui-Long","Two (5, 5)-connected isomeric frameworks as highly selective and sensitive photoluminescent probes of nitroaromatics","CrystEngComm","2017","","","","","10.1039/C7CE00236J","","","0.8","synchrotron","","0.1365","0.1079","","","0.3065","0.3357","","","","","","0.982","","","","has coordinates","195399","2020-10-21","18:00:00",""
"7228070","10.449","0.002","10.526","0.002","10.759","0.002","78.55","0.002","75.968","0.002","72.67","0.002","1085.7","0.4","296","2","296.15","","","","","","","","","7","P -1","-P 1","2","","","","- C24 H30 As2 Cu Mo6 N8 O30 -","- C24 H30 As2 Cu Mo6 N8 O30 -","- C24 H30 As2 Cu Mo6 N8 O30 -","1","0.5","","Cong, Bowen; Su, Zhanhua; Zhao, Zhifeng; yu, baoyi; Zhao, Wenqi; Xia, Lin; ma, xiujuan; Zhou, Baibin","Assembly of Six [HxAs2Mo6O26](6-x)- Clusters-Based Hybrid Materials from 1D Chain to 3D Framework with Multiple Cu-N Complexes","CrystEngComm","2017","","","","","10.1039/C7CE00319F","","","0.71073","MoKα","","0.0411","0.0393","","","0.1003","0.102","","","","","","1.117","","","","has coordinates","195438","2020-10-21","18:00:00",""
"7228071","10.253","0.002","10.694","0.003","11.38","0.003","85.068","0.002","88.477","0.002","67.518","0.002","1148.6","0.5","296","2","296.15","","","","","","","","","7","P -1","-P 1","2","","","","- C15 H14 As Cu Mo3 N3 O15 -","- C15 H14 As Cu Mo3 N3 O15 -","- C30 H28 As2 Cu2 Mo6 N6 O30 -","2","1","","Cong, Bowen; Su, Zhanhua; Zhao, Zhifeng; yu, baoyi; Zhao, Wenqi; Xia, Lin; ma, xiujuan; Zhou, Baibin","Assembly of Six [HxAs2Mo6O26](6-x)- Clusters-Based Hybrid Materials from 1D Chain to 3D Framework with Multiple Cu-N Complexes","CrystEngComm","2017","","","","","10.1039/C7CE00319F","","","0.71073","MoKα","","0.0533","0.052","","","0.1594","0.1602","","","","","","1.085","","","","has coordinates","195438","2020-10-21","18:00:00",""
"7228072","12.5599","0.0015","12.7481","0.0015","13.367","0.0016","99.749","0.001","105.537","0.001","111.878","0.001","1824.8","0.4","296","2","296.15","","","","","","","","","7","P -1","-P 1","2","","","","- C40 H66 As2 Cu2 Mo6 N24 O27 -","- C40 H64 As2 Cu2 Mo6 N24 O27 -","- C40 H64 As2 Cu2 Mo6 N24 O27 -","1","0.5","","Cong, Bowen; Su, Zhanhua; Zhao, Zhifeng; yu, baoyi; Zhao, Wenqi; Xia, Lin; ma, xiujuan; Zhou, Baibin","Assembly of Six [HxAs2Mo6O26](6-x)- Clusters-Based Hybrid Materials from 1D Chain to 3D Framework with Multiple Cu-N Complexes","CrystEngComm","2017","","","","","10.1039/C7CE00319F","","","0.71073","MoKα","","0.0423","0.0385","","","0.1044","0.1075","","","","","","1.069","","","","has coordinates","195438","2020-10-21","18:00:00",""
"7228073","10.8652","0.0005","11.969","0.0006","13.1751","0.0006","115.495","0.001","100.719","0.001","99.261","0.001","1462.36","0.12","296","2","296.15","","","","","","","","","7","P -1","-P 1","2","","","","- C42 H46 As2 Cu Mo6 N12 O28 -","- C42 H46 As2 Cu Mo6 N12 O28 -","- C42 H46 As2 Cu Mo6 N12 O28 -","1","0.5","","Cong, Bowen; Su, Zhanhua; Zhao, Zhifeng; yu, baoyi; Zhao, Wenqi; Xia, Lin; ma, xiujuan; Zhou, Baibin","Assembly of Six [HxAs2Mo6O26](6-x)- Clusters-Based Hybrid Materials from 1D Chain to 3D Framework with Multiple Cu-N Complexes","CrystEngComm","2017","","","","","10.1039/C7CE00319F","","","0.71073","MoKα","","0.0333","0.0313","","","0.0766","0.0775","","","","","","1.196","","","","has coordinates,has disorder","195438","2020-10-21","18:00:00",""
"7228074","8.8989","0.001","16.3552","0.0019","24.297","0.003","90","","94.832","0.001","90","","3523.7","0.7","296","2","296.15","","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C30 H25 As Cu Mo3 N6 O15 -","- C30 H25 As Cu Mo3 N6 O15 -","- C120 H100 As4 Cu4 Mo12 N24 O60 -","4","1","","Cong, Bowen; Su, Zhanhua; Zhao, Zhifeng; yu, baoyi; Zhao, Wenqi; Xia, Lin; ma, xiujuan; Zhou, Baibin","Assembly of Six [HxAs2Mo6O26](6-x)- Clusters-Based Hybrid Materials from 1D Chain to 3D Framework with Multiple Cu-N Complexes","CrystEngComm","2017","","","","","10.1039/C7CE00319F","","","0.71073","MoKα","","0.0499","0.0391","","","0.0867","0.0946","","","","","","1.044","","","","has coordinates","195438","2020-10-21","18:00:00",""
"7228075","11.0544","0.0009","11.9897","0.001","12.6353","0.001","109.081","0.001","103.561","0.001","109.228","0.001","1380.2","0.2","296","2","296.15","","","","","","","","","8","P -1","-P 1","2","","","","- C30 H32 As2 Cl Cu3 Mo6 N20 O27 -","- C30 H32 As2 Cl Cu3 Mo6 N20 O27 -","- C30 H32 As2 Cl Cu3 Mo6 N20 O27 -","1","0.5","","Cong, Bowen; Su, Zhanhua; Zhao, Zhifeng; yu, baoyi; Zhao, Wenqi; Xia, Lin; ma, xiujuan; Zhou, Baibin","Assembly of Six [HxAs2Mo6O26](6-x)- Clusters-Based Hybrid Materials from 1D Chain to 3D Framework with Multiple Cu-N Complexes","CrystEngComm","2017","","","","","10.1039/C7CE00319F","","","0.71073","MoKα","","0.0349","0.028","","","0.0635","0.0664","","","","","","1.073","","","","has coordinates,has disorder","195438","2020-10-21","18:00:00",""
"7228076","8.401","0.0017","9.3598","0.0019","20.446","0.004","86.38","0.03","82.42","0.03","81.59","0.03","1574.9","0.6","223","2","223","2","","","","","","","","5","P -1","-P 1","2","","","","- C36 H30 Ag2 N4 O6 -","- C36 H30 Ag2 N4 O6 -","- C72 H60 Ag4 N8 O12 -","2","1","","Chen, Jing-Min; Hou, Yi-Xuan; Zhou, Qian-Kun; Zhang, Hao; Liu, Dong","Regiospecific [2+2] photocycloadditions of an unsymmetrical olefin in the solid state based on metal-mediated assemblies","CrystEngComm","2017","","","","","10.1039/C7CE00573C","","","0.71073","MoKα","","0.0752","0.0497","","","0.0946","0.1048","","","","","","1.087","","","","has coordinates","195439","2020-10-21","18:00:00",""
"7228077","9.2988","0.0019","10.402","0.002","10.241","0.002","90","","96.58","0.03","90","","984","0.3","223","2","223","2","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","","","- C24 H20 N4 -","- C24 H20 N4 -","- C48 H40 N8 -","2","0.5","","Chen, Jing-Min; Hou, Yi-Xuan; Zhou, Qian-Kun; Zhang, Hao; Liu, Dong","Regiospecific [2+2] photocycloadditions of an unsymmetrical olefin in the solid state based on metal-mediated assemblies","CrystEngComm","2017","","","","","10.1039/C7CE00573C","","","0.71073","MoKα","","0.0722","0.0502","","","0.1217","0.1338","","","","","","1.032","","","","has coordinates","195439","2020-10-21","18:00:00",""
"7228078","12.112","0.002","16.437","0.003","19.547","0.004","90","","90","","90","","3891.5","1.2","223","2","223","2","","","","","","","","3","P b c a","-P 2ac 2ab","61","","","","- C24 H20 N4 -","- C24 H20 N4 -","- C192 H160 N32 -","8","1","","Chen, Jing-Min; Hou, Yi-Xuan; Zhou, Qian-Kun; Zhang, Hao; Liu, Dong","Regiospecific [2+2] photocycloadditions of an unsymmetrical olefin in the solid state based on metal-mediated assemblies","CrystEngComm","2017","","","","","10.1039/C7CE00573C","","","0.71073","MoKα","","0.0702","0.0505","","","0.1226","0.1425","","","","","","1.034","","","","has coordinates","195439","2020-10-21","18:00:00",""
"7228079","7.3773","0.0015","5.741","0.0011","12.67","0.004","90","","115.92","0.02","90","","482.6","0.2","223","2","223","2","","","","","","","","3","P 1 c 1","P -2yc","7","","","","- C12 H10 N2 -","- C12 H10 N2 -","- C24 H20 N4 -","2","1","","Chen, Jing-Min; Hou, Yi-Xuan; Zhou, Qian-Kun; Zhang, Hao; Liu, Dong","Regiospecific [2+2] photocycloadditions of an unsymmetrical olefin in the solid state based on metal-mediated assemblies","CrystEngComm","2017","","","","","10.1039/C7CE00573C","","","0.71073","MoKα","","0.0598","0.0458","","","0.1115","0.1252","","","","","","1.069","","","","has coordinates","195439","2020-10-21","18:00:00",""
"7228080","13.855","0.003","11.031","0.002","14.277","0.003","90","","111.23","0.03","90","","2033.9","0.8","223","2","223","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C48 H34 N4 O9 Zn2 -","- C48 H34 N4 O9 Zn2 -","- C96 H68 N8 O18 Zn4 -","2","0.5","","Chen, Jing-Min; Hou, Yi-Xuan; Zhou, Qian-Kun; Zhang, Hao; Liu, Dong","Regiospecific [2+2] photocycloadditions of an unsymmetrical olefin in the solid state based on metal-mediated assemblies","CrystEngComm","2017","","","","","10.1039/C7CE00573C","","","0.71073","MoKα","","0.0861","0.055","","","0.1101","0.1217","","","","","","1.083","","","","has coordinates,has disorder","195439","2020-10-21","18:00:00",""
"7228081","8.356","0.01","11.971","0.014","14.109","0.016","90","","103.52","0.012","90","","1372","3","296","2","296","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- B7 Cs2 H5 O14 -","- B7 Cs2 H5 O14 -","- B28 Cs8 H20 O56 -","4","1","","Sambasivam, Sangaraju; Liu, Lili; Yang, Yun; Han, Guopeng; Bashir, Beenish; Yang, Zhihua; Pan, ShiLie","Syntheses, Crystal Structures and Characterizations of Three Alkaline Metal Borates","CrystEngComm","2017","","","","","10.1039/C7CE00450H","","","0.71073","MoKα","","0.0635","0.0374","","","0.0499","0.0548","","","","","","1.03","","","","has coordinates","195440","2020-10-21","18:00:00",""
"7228082","7.1742","0.0003","7.8472","0.0004","8.9702","0.0004","68.551","0.002","88.368","0.002","74.877","0.002","452.49","0.04","296","2","296","2","","","","","","","","4","P -1","-P 1","2","","","","- B4 H6 K2 O10 -","- B4 H6 K2 O10 -","- B8 H12 K4 O20 -","2","1","","Sambasivam, Sangaraju; Liu, Lili; Yang, Yun; Han, Guopeng; Bashir, Beenish; Yang, Zhihua; Pan, ShiLie","Syntheses, Crystal Structures and Characterizations of Three Alkaline Metal Borates","CrystEngComm","2017","","","","","10.1039/C7CE00450H","","","0.71073","MoKα","","0.0273","0.0256","","","0.0727","0.0743","","","","","","1.088","","","","has coordinates","195440","2020-10-21","18:00:00",""
"7228083","11.15","0.003","13.064","0.003","16.411","0.004","90","","90","","90","","2390.5","1","296","2","296","2","","","","","","","","4","P b c n","-P 2n 2ab","60","","","","- B4 H11.25 K2 O12.63 -","- B4 H11.2 K2 O12.6 -","- B32 H89.6 K16 O100.8 -","8","1","","Sambasivam, Sangaraju; Liu, Lili; Yang, Yun; Han, Guopeng; Bashir, Beenish; Yang, Zhihua; Pan, ShiLie","Syntheses, Crystal Structures and Characterizations of Three Alkaline Metal Borates","CrystEngComm","2017","","","","","10.1039/C7CE00450H","","","0.71073","MoKα","","0.0683","0.0526","","","0.1539","0.167","","","","","","1.047","","","","has coordinates","195440","2020-10-21","18:00:00",""
"7228084","9.8013","0.0003","11.1877","0.0005","13.1188","0.0006","99.051","0.004","106.017","0.003","106.133","0.004","1284.88","0.1","150","40","150","40","","","","","","","","5","P -1","-P 1","2","","","","- C27 H29 Br N2 O5 -","- C27 H29 Br N2 O5 -","- C54 H58 Br2 N4 O10 -","2","1","","Yang, Kai-Chuan; Li, Jun-Long; Shen, Xu-Dong; Li, Qiang; Leng, Hai-Jun; Huang, Qian; Zheng, Peng-Kun; Gou, Xiao-Jun; Zhi, Yong-Gang","Facile synthesis of novel spiroheterocycles via diastereoselective aziridination of cyclic enones","RSC Adv.","2017","7","34","21175","","10.1039/C6RA28508B","","x-ray","1.54184","CuKα","","0.052","0.0504","","","0.1316","0.1341","","","","","","1.056","","","","has coordinates","195441","2020-10-21","18:00:00",""
"7228085","24.742","0.003","33.475","0.003","18.4621","0.0019","90","","90","","90","","15291","3","296","2","296","2","","","","","","","","4","C m c 21","C 2c -2","36","NJFU-3","NJFU-3","","- C69 H36 Cu6 O33 -","- C69 H36 Cu6 O33 -","- C276 H144 Cu24 O132 -","4","0.5","","Du, Liting; Lu, Zhiyong; Xu, Li; Zhang, Jinchi","A new mfj-type metal‒organic framework constructed from a methoxyl derived V-shaped ligand and its H2, CO2 and CH4 adsorption properties","RSC Adv.","2017","7","34","21268","","10.1039/C7RA02122D","","","0.71073","MoKα","","0.1022","0.0729","","","0.1842","0.1967","","","","","","0.984","","","","has coordinates,has disorder","195442","2020-10-21","18:00:00",""
"7228086","17.764","0.003","17.764","0.003","17.822","0.004","90","","90","","90","","5623.9","1.8","298","2","298","2","","","","","","","","3","I 41/a m d","-I 4bd 2","141","","","","- Ge13 Ir4 Lu3 -","- Ge13 Ir4 Lu3 -","- Ge208 Ir64 Lu48 -","16","","","Oswald, Iain W.H.; Rai, Binod K.; McCandless, Gregory T.; Morosan, Emilia; Chan, Julia","The Proof is in the Powder: Revealing Structural Peculiarities in the Yb3Rh4Sn13 Structure Type","CrystEngComm","2017","","","","","10.1039/C7CE00419B","","","0.71073","MoKα","","0.0582","0.0389","","","0.0949","0.1093","","","","","","1.147","","","","has coordinates","195530","2020-10-21","18:00:00",""
"7228087","7.0888","0.0014","14.392","0.003","10.586","0.002","90","","97.4","0.03","90","","1071","0.4","153.15","","153.15","","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","","","- C10 H14 N6 -","- C10 H14 N6 -","- C40 H56 N24 -","4","1","","Yuan, Yutao; Zhang, Yanqiang; Liu, Long; Jiao, Nianming; Dong, Kun; Zhang, Suojiang","Bicyclic ammonium ionic liquids as dense hypergolic fuels","RSC Adv.","2017","7","35","21592","","10.1039/C7RA03090H","","","0.71073","MoKα","","0.067","0.0596","","","0.1276","0.1391","","","","","","1.211","","","","has coordinates","195539","2020-10-21","18:00:00",""
"7228088","21.166","0.0011","12.4814","0.0006","19.9503","0.0011","90","","90.87","0.001","90","","5269.9","0.5","296","2","296.15","","","","","","","","","7","C 1 2/c 1","-C 2yc","15","","","","- C4 H38 Cd N12 Nb6 O47 P4 -","- C4 H24 Cd N12 Nb6 O47 P4 -","- C16 H96 Cd4 N48 Nb24 O188 P16 -","4","0.5","","Zhao, Shufang; Liang, Zhijie; Geng, Qiaohua; Ma, Pengtao; Zhang, Chao; Niu, Jingyang; Wang, Jingping","Assembly of niobium-phosphate cluster and in-situ transition-metal-containing derivatives","CrystEngComm","2017","","","","","10.1039/C7CE00603A","","","0.71073","MoKα","","0.0284","0.0265","","","0.0765","0.0777","","","","","","1.063","","","","has coordinates","195610","2020-10-21","18:00:00",""
"7228089","11.1233","0.0007","20.126","0.0012","12.3589","0.0008","90","","115.745","0.001","90","","2492.1","0.3","296","2","296.15","","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C6 H44 N18 Nb6 O40 P4 -","- C6 H36 N18 Nb6 O40 P4 -","- C12 H72 N36 Nb12 O80 P8 -","2","0.5","","Zhao, Shufang; Liang, Zhijie; Geng, Qiaohua; Ma, Pengtao; Zhang, Chao; Niu, Jingyang; Wang, Jingping","Assembly of niobium-phosphate cluster and in-situ transition-metal-containing derivatives","CrystEngComm","2017","","","","","10.1039/C7CE00603A","","","0.71073","MoKα","","0.0417","0.0401","","","0.097","0.0978","","","","","","1.206","","","","has coordinates","195610","2020-10-21","18:00:00",""
"7228090","10.6885","0.0007","20.217","0.0015","10.73","0.0007","90","","110.399","0.001","90","","2173.2","0.3","296","2","296.15","","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- Cs3 H28 Nb6 Ni2 O50 P4 -","- Cs3 Nb6 Ni2 O50 P4 -","- Cs6 Nb12 Ni4 O100 P8 -","2","0.5","","Zhao, Shufang; Liang, Zhijie; Geng, Qiaohua; Ma, Pengtao; Zhang, Chao; Niu, Jingyang; Wang, Jingping","Assembly of niobium-phosphate cluster and in-situ transition-metal-containing derivatives","CrystEngComm","2017","","","","","10.1039/C7CE00603A","","","0.71073","MoKα","","0.1077","0.0902","","","0.2388","0.2651","","","","","","1.015","","","","has coordinates,has disorder","195610","2020-10-21","18:00:00",""
"7228091","10.455","0.003","20.296","0.005","10.704","0.003","90","","108.406","0.004","90","","2155.1","1","296","2","296.15","","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- Co2 Cs3 H28 Nb6 O50 P4 -","- Co2 Cs3 Nb6 O50 P4 -","- Co4 Cs6 Nb12 O100 P8 -","2","0.5","","Zhao, Shufang; Liang, Zhijie; Geng, Qiaohua; Ma, Pengtao; Zhang, Chao; Niu, Jingyang; Wang, Jingping","Assembly of niobium-phosphate cluster and in-situ transition-metal-containing derivatives","CrystEngComm","2017","","","","","10.1039/C7CE00603A","","","0.71073","MoKα","","0.0738","0.0677","","","0.172","0.1781","","","","","","1.041","","","","has coordinates,has disorder","195610","2020-10-21","18:00:00",""
"7228092","10.558","0.004","20.153","0.007","10.614","0.004","90","","109.375","0.005","90","","2130.5","1.4","296","2","296.15","","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- Cs3 H28 Nb6 O50 P4 Zn2 -","- Cs3 Nb6 O49.5 P4 Zn2 -","- Cs6 Nb12 O99 P8 Zn4 -","2","0.5","","Zhao, Shufang; Liang, Zhijie; Geng, Qiaohua; Ma, Pengtao; Zhang, Chao; Niu, Jingyang; Wang, Jingping","Assembly of niobium-phosphate cluster and in-situ transition-metal-containing derivatives","CrystEngComm","2017","","","","","10.1039/C7CE00603A","","","0.71073","MoKα","","0.0609","0.0558","","","0.1476","0.1528","","","","","","1.035","","","","has coordinates,has disorder","195610","2020-10-21","18:00:00",""
"7228093","10.4234","0.0004","10.975","0.0005","13.5568","0.0006","72.143","0.001","72.44","0.001","72.853","0.001","1371.94","0.1","293","2","293","2","","","","","","","","6","P -1","-P 1","2","","","","- Cd2 Cs3 H40 Nb6 O56 P4 -","- Cd2 Cs3 Nb6 O56 P4 -","- Cd2 Cs3 Nb6 O56 P4 -","1","0.5","","Zhao, Shufang; Liang, Zhijie; Geng, Qiaohua; Ma, Pengtao; Zhang, Chao; Niu, Jingyang; Wang, Jingping","Assembly of niobium-phosphate cluster and in-situ transition-metal-containing derivatives","CrystEngComm","2017","","","","","10.1039/C7CE00603A","","","0.71073","MoKα","","0.0516","0.0478","","","0.1264","0.1299","","","","","","1.027","","","","has coordinates,has disorder","195610","2020-10-21","18:00:00",""
"7228094","7.00418","0.00008","15.07922","0.00014","15.68796","0.00017","90","","90","","90","","1656.92","0.03","100.01","0.1","100.01","0.1","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C19 H24 N2 O2 -","- C19 H24 N2 O2 -","- C76 H96 N8 O8 -","4","1","","Liu, Zhi-Wen; Tang, Ben-Qin; Zhang, Qing-Hua; Wang, Wen-Jing; Huang, Xiao-Jun; Zhang, Jian; Shi, Lei; Zhang, Xiao-Qi; Ye, Wen-Cai","Ervaoffines E‒G, three iboga-type alkaloids featuring ring C cleavage and rearrangement from Ervatamia officinalis","RSC Adv.","2017","7","35","21883","","10.1039/C7RA03411C","","x-ray","1.54184","CuKα","","0.0309","0.0302","","","0.076","0.0769","","","","","","1.044","","","","has coordinates","195619","2020-10-21","18:00:00",""
"7228095","8.7507","0.0001","14.3787","0.0002","27.3576","0.0004","90","","90","","90","","3442.23","0.08","173","0.1","173","0.1","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","Lirofolines A","","- C20 H24 N2 O2 -","- C20 H24 N2 O2 -","- C160 H192 N16 O16 -","8","2","","Liu, Zhi-Wen; Tang, Ben-Qin; Zhang, Qing-Hua; Wang, Wen-Jing; Huang, Xiao-Jun; Zhang, Jian; Shi, Lei; Zhang, Xiao-Qi; Ye, Wen-Cai","Ervaoffines E‒G, three iboga-type alkaloids featuring ring C cleavage and rearrangement from Ervatamia officinalis","RSC Adv.","2017","7","35","21883","","10.1039/C7RA03411C","","","1.5418","CuKα","","0.0309","0.0291","","","0.0722","0.0737","","","","","","1.092","","","","has coordinates","195619","2020-10-21","18:00:00",""
"7228096","8.2518","0.0002","14.8377","0.0004","20.0844","0.0006","90","","92.219","0.002","90","","2457.24","0.12","150","1","150","1","","","","","","","","6","P 1 21/n 1","-P 2yn","14","usu223","","","- C29 H19 Cl N2 O7 Zn -","- C29 H19 Cl N2 O7 Zn -","- C116 H76 Cl4 N8 O28 Zn4 -","4","1","","Popova, Marina; Soboleva, Tatiana; Arif, Atta M.; Berreau, Lisa M.","Properties of a flavonol-based photoCORM in aqueous buffered solutions: influence of metal ions, surfactants and proteins on visible light-induced CO release","RSC Adv.","2017","7","36","21997","","10.1039/C7RA02653F","","","0.71073","MoKα","","0.0374","0.0318","","","0.0865","0.0897","","","","","","1.062","","","","has coordinates,has disorder","195620","2020-10-21","18:00:00",""
"7228097","8.5676","0.0002","8.5676","0.0002","23.7293","0.0009","90","","90","","120","","1508.46","0.08","298","2","298","2","","","","","","","","6","R -3 :H","-R 3","148","","","","- C10 H22 Cr K N2 O12 -","- C9.9996 H21.9984 Cr K N1.9998 O12 -","- C29.9988 H65.9952 Cr3 K3 N5.9994 O36 -","3","0.166667","","Ptak, Maciej; Gągor, Anna; Sieradzki, Adam; Bondzior, Bartosz; Dereń, Przemysław Jacek; Ciupa, Aneta; Trzebiatowska, Monika; Maczka, Miroslaw","Effect of K+ cations on phase transitions, structural, dielectric and luminescent properties of [cat][K0.5Cr0.5(HCOO)3], where cat is protonated dimethylamine or ethylamine","Phys. Chem. Chem. Phys.","2017","","","","","10.1039/C7CP01336A","","x-ray","0.71073","MoKα","","0.0358","0.0304","","","0.0725","0.0751","","","","","","1.125","","","","has coordinates","195650","2020-10-21","18:00:00",""
"7228098","8.559","0.008","8.602","0.007","9.156","0.007","63.07","0.1","63.19","0.1","61.08","0.1","502.3","0.9","79.9","0.4","79.9","0.4","","","","","","","","6","P -1","-P 1","2","","","","- C5 H11 Cr0.5 K0.5 N O6 -","- C5 H11 Cr0.5 K0.5 N O6 -","- C10 H22 Cr K N2 O12 -","2","1","","Ptak, Maciej; Gągor, Anna; Sieradzki, Adam; Bondzior, Bartosz; Dereń, Przemysław Jacek; Ciupa, Aneta; Trzebiatowska, Monika; Maczka, Miroslaw","Effect of K+ cations on phase transitions, structural, dielectric and luminescent properties of [cat][K0.5Cr0.5(HCOO)3], where cat is protonated dimethylamine or ethylamine","Phys. Chem. Chem. Phys.","2017","","","","","10.1039/C7CP01336A","","x-ray","0.71073","MoKα","","0.1912","0.1259","","","0.3297","0.4003","","","","","","1.164","","","","has coordinates,has disorder","195650","2020-10-21","18:00:00",""
"7228099","8.0147","0.0002","9.8547","0.0003","12.3886","0.0003","90","","90.052","0.003","90","","978.48","0.05","297","2","297","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C10 H22 Cr K N2 O12 -","- C10 H22 Cr K N2 O12 -","- C20 H44 Cr2 K2 N4 O24 -","2","0.5","","Ptak, Maciej; Gągor, Anna; Sieradzki, Adam; Bondzior, Bartosz; Dereń, Przemysław Jacek; Ciupa, Aneta; Trzebiatowska, Monika; Maczka, Miroslaw","Effect of K+ cations on phase transitions, structural, dielectric and luminescent properties of [cat][K0.5Cr0.5(HCOO)3], where cat is protonated dimethylamine or ethylamine","Phys. Chem. Chem. Phys.","2017","","","","","10.1039/C7CP01336A","","x-ray","0.71073","MoKα","","0.0619","0.0368","","","0.0825","0.0918","","","","","","1.055","","","","has coordinates","195650","2020-10-21","18:00:00",""
"7228100","9.4739","0.0008","10.4564","0.001","10.8136","0.0016","109.389","0.003","110.956","0.002","104.273","0.002","858.68","0.17","173","2","173","2","","","","","","","","4","P -1","-P 1","2","","","","- C20 H20 N4 O2 -","- C20 H20 N4 O2 -","- C40 H40 N8 O4 -","2","1","","Routaboul, Lucie; Tanabe, Iori; Santana, Juan Colon; Yuan, Minghui; Ghisolfi, Alessio; Garcia, William Serrano; Dowben, Peter A.; Doudin, Bernard; Braunstein, Pierre","Changes in molecular film metallicity with minor modifications of the constitutive quinonoid zwitterions","RSC Adv.","2017","7","35","21906","","10.1039/C7RA01597F","","","0.71073","MoKα","","0.1021","0.0476","","","0.0988","0.1178","","","","","","1.003","","","","has coordinates","195652","2020-10-21","18:00:00",""
"7228101","12.666","0.002","13.2","0.003","13.728","0.003","90","","90","","90","","2295.2","0.8","173","2","173","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C22 H22 N2 O2 -","- C22 H22 N2 O2 -","- C88 H88 N8 O8 -","4","1","","Routaboul, Lucie; Tanabe, Iori; Santana, Juan Colon; Yuan, Minghui; Ghisolfi, Alessio; Garcia, William Serrano; Dowben, Peter A.; Doudin, Bernard; Braunstein, Pierre","Changes in molecular film metallicity with minor modifications of the constitutive quinonoid zwitterions","RSC Adv.","2017","7","35","21906","","10.1039/C7RA01597F","","","0.71073","MoKα","","0.2113","0.0921","","","0.2355","0.2808","","","","","","0.927","","","","has coordinates","195652","2020-10-21","18:00:00",""
"7228102","7.9425","0.0003","11.2305","0.0005","12.3864","0.0005","69.742","0.001","88.551","0.001","74.278","0.001","994.85","0.07","173","2","173","2","","","","","","","","4","P -1","-P 1","2","","","","- C24 H26 N2 O2 -","- C24 H26 N2 O2 -","- C48 H52 N4 O4 -","2","1","","Routaboul, Lucie; Tanabe, Iori; Santana, Juan Colon; Yuan, Minghui; Ghisolfi, Alessio; Garcia, William Serrano; Dowben, Peter A.; Doudin, Bernard; Braunstein, Pierre","Changes in molecular film metallicity with minor modifications of the constitutive quinonoid zwitterions","RSC Adv.","2017","7","35","21906","","10.1039/C7RA01597F","","","0.71073","MoKα","","0.0788","0.0439","","","0.1079","0.1208","","","","","","1.026","","","","has coordinates","195652","2020-10-21","18:00:00",""
"7228103","6.0492","0.0004","13.9149","0.0009","12.3077","0.0008","90","","97.355","0.004","90","","1027.46","0.12","173","2","173","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C24 H26 N2 O2 -","- C24 H26 N2 O2 -","- C48 H52 N4 O4 -","2","1","","Routaboul, Lucie; Tanabe, Iori; Santana, Juan Colon; Yuan, Minghui; Ghisolfi, Alessio; Garcia, William Serrano; Dowben, Peter A.; Doudin, Bernard; Braunstein, Pierre","Changes in molecular film metallicity with minor modifications of the constitutive quinonoid zwitterions","RSC Adv.","2017","7","35","21906","","10.1039/C7RA01597F","","","1.54178","CuKα","","0.0384","0.0372","","","0.0983","0.0999","","","","","","1.034","","","","has coordinates","195652","2020-10-21","18:00:00",""
"7228104","8.284","0.009","30.84","0.03","11.178","0.013","90","","98.85","0.03","90","","2822","5","173","2","173","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C36 H34 N2 O2 -","- C36 H34 N2 O2 -","- C144 H136 N8 O8 -","4","1","","Routaboul, Lucie; Tanabe, Iori; Santana, Juan Colon; Yuan, Minghui; Ghisolfi, Alessio; Garcia, William Serrano; Dowben, Peter A.; Doudin, Bernard; Braunstein, Pierre","Changes in molecular film metallicity with minor modifications of the constitutive quinonoid zwitterions","RSC Adv.","2017","7","35","21906","","10.1039/C7RA01597F","","","0.71073","MoKα","","0.2266","0.0996","","","0.2065","0.2609","","","","","","1.028","","","","has coordinates","195652","2020-10-21","18:00:00",""
"7228105","9.1007","0.0011","9.4113","0.0011","15.088","0.0018","97.591","0.003","90.128","0.003","116.126","0.002","1147.4","0.2","173","2","173","2","","","","","","","","4","P -1","-P 1","2","","","","- C26 H32 N2 O3 -","- C26 H32 N2 O3 -","- C52 H64 N4 O6 -","2","1","","Routaboul, Lucie; Tanabe, Iori; Santana, Juan Colon; Yuan, Minghui; Ghisolfi, Alessio; Garcia, William Serrano; Dowben, Peter A.; Doudin, Bernard; Braunstein, Pierre","Changes in molecular film metallicity with minor modifications of the constitutive quinonoid zwitterions","RSC Adv.","2017","7","35","21906","","10.1039/C7RA01597F","","","0.71073","MoKα","","0.144","0.0673","","","0.1538","0.1845","","","","","","1.02","","","","has coordinates,has disorder","195652","2020-10-21","18:00:00",""
"7228106","5.0542","0.0005","9.8327","0.0009","18.154","0.0017","97.826","0.002","91.725","0.002","96.982","0.002","886.16","0.15","173","2","173","2","","","","","","","","4","P -1","-P 1","2","","","","- C22 H22 N2 O2 -","- C22 H22 N2 O2 -","- C44 H44 N4 O4 -","2","1","","Routaboul, Lucie; Tanabe, Iori; Santana, Juan Colon; Yuan, Minghui; Ghisolfi, Alessio; Garcia, William Serrano; Dowben, Peter A.; Doudin, Bernard; Braunstein, Pierre","Changes in molecular film metallicity with minor modifications of the constitutive quinonoid zwitterions","RSC Adv.","2017","7","35","21906","","10.1039/C7RA01597F","","","0.71073","MoKα","","0.1351","0.0727","","","0.162","0.1941","","","","","","1.022","","","","has coordinates,has disorder","195652","2020-10-21","18:00:00",""
"7228107","4.7968","0.0008","12.304","0.002","16.302","0.002","101.238","0.008","95.761","0.008","95.785","0.013","931.8","0.2","173","2","173","2","","","","","","","","4","P -1","-P 1","2","","","","- C22 H22 N2 O2 -","- C22 H22 N2 O2 -","- C44 H44 N4 O4 -","2","1","","Routaboul, Lucie; Tanabe, Iori; Santana, Juan Colon; Yuan, Minghui; Ghisolfi, Alessio; Garcia, William Serrano; Dowben, Peter A.; Doudin, Bernard; Braunstein, Pierre","Changes in molecular film metallicity with minor modifications of the constitutive quinonoid zwitterions","RSC Adv.","2017","7","35","21906","","10.1039/C7RA01597F","","","1.54178","CuKα","","0.1349","0.1053","","","0.2521","0.2991","","","","","","1.202","","","","has coordinates","195652","2020-10-21","18:00:00",""
"7228108","12.523","0.0004","9.9321","0.0003","20.2298","0.0007","90","","111.348","0.002","90","","2343.53","0.13","173","2","173","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C26 H30 N2 O6 -","- C26 H30 N2 O6 -","- C104 H120 N8 O24 -","4","1","","Routaboul, Lucie; Tanabe, Iori; Santana, Juan Colon; Yuan, Minghui; Ghisolfi, Alessio; Garcia, William Serrano; Dowben, Peter A.; Doudin, Bernard; Braunstein, Pierre","Changes in molecular film metallicity with minor modifications of the constitutive quinonoid zwitterions","RSC Adv.","2017","7","35","21906","","10.1039/C7RA01597F","","","0.71073","MoKα","","0.074","0.053","","","0.1282","0.1418","","","","","","1.054","","","","has coordinates","195652","2020-10-21","18:00:00",""
"7228109","6.0572","0.0006","12.7385","0.0011","16.2312","0.0015","71.599","0.005","85.516","0.005","80.119","0.005","1170.35","0.19","290","2","290","2","","","","","","","","5","P -1","-P 1","2","(Z)-tert-butyl 3-(4-bromophenyl)-2-((diphenylphosphoryl)methyl)acrylate","xie-3j","","- C26 H26 Br O3 P -","- C26 H26 Br O3 P -","- C52 H52 Br2 O6 P2 -","2","1","","Xie, Peizhong; Wang, Jinyu; Fan, Jiang; Liu, Yanan; Wo, Xiangyang; Loh, Teck Peng","The C-OH/P-H Dehydrative Cross-Coupling for the Construction of P-C Bond under Metal-free Conditions","Green Chem.","2017","","","","","10.1039/C7GC00882A","","","0.71073","MoKα","","0.0993","0.0452","","","0.0842","0.0976","","","","","","1.02","","","","has coordinates","205752","2020-10-21","18:00:00",""
"7228111","7.4417","0.0007","5.7471","0.0006","18.9993","0.0019","90","","101.045","0.005","90","","797.51","0.14","190","2","190","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","4-Bromo 3-nitrobenzoic acid","","- C7 H4 Br N O4 -","- C7 H4 Br N O4 -","- C28 H16 Br4 N4 O16 -","4","1","","Singaraju, Aditya B.; Nguyen, Kyle; Swenson, Dale C.; Iyer, Mamta; Haware, Rahul V.; Stevens, Lewis L.","Reorganized, weak C‒H⋯O interactions directly modify the mechanical properties and compaction performance of a series of nitrobenzoic acids","CrystEngComm","2017","","","","","10.1039/C7CE00238F","","","0.71073","MoKα","","0.0183","0.0163","","","0.0378","0.0384","","","","","","1.066","","","","has coordinates,has disorder","195767","2020-10-21","18:00:00",""
"7228112","7.4313","0.0003","21.1153","0.0006","10.3853","0.0004","90","","99.921","0.001","90","","1605.23","0.1","190","2","190","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","4-Methyl 3-nitrobenzoic acid","","- C8 H7 N O4 -","- C8 H7 N O4 -","- C64 H56 N8 O32 -","8","2","","Singaraju, Aditya B.; Nguyen, Kyle; Swenson, Dale C.; Iyer, Mamta; Haware, Rahul V.; Stevens, Lewis L.","Reorganized, weak C‒H⋯O interactions directly modify the mechanical properties and compaction performance of a series of nitrobenzoic acids","CrystEngComm","2017","","","","","10.1039/C7CE00238F","","","0.71073","MoKα","","0.0473","0.0375","","","0.1033","0.1121","","","","","","1.061","","","","has coordinates,has disorder","195767","2020-10-21","18:00:00",""
"7228113","6.0056","0.0001","18.0532","0.0004","23.3138","0.0005","90","","90","","90","","2527.69","0.09","293","2","293","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C29 H44 O3 -","- C29 H44 O3 -","- C116 H176 O12 -","4","1","","Chen, Ming; Chen, Li-Feng; Li, Man-Mei; Li, Ni-Ping; Cao, Jia-Qing; Wang, Ying; Li, Yao-Lan; Wang, Lei; Ye, Wen-Cai","Myrtucomvalones A‒C, three unusual triketone‒sesquiterpene adducts from the leaves of Myrtus communis ‘Variegata’","RSC Adv.","2017","7","37","22735","","10.1039/C7RA02260C","","","1.54178","CuKα","","0.0327","0.0299","","","0.075","0.0779","","","","","","1.063","","","","has coordinates","195778","2020-10-21","18:00:00",""
"7228114","9.7468","0.0007","10.0413","0.0009","14.7257","0.0009","107.318","0.007","95.676","0.006","104.09","0.007","1311.43","0.19","100.01","0.1","100.01","0.1","","","","","","","","3","P -1","-P 1","2","","","","- C29 H44 O3 -","- C29 H44 O3 -","- C58 H88 O6 -","2","1","","Chen, Ming; Chen, Li-Feng; Li, Man-Mei; Li, Ni-Ping; Cao, Jia-Qing; Wang, Ying; Li, Yao-Lan; Wang, Lei; Ye, Wen-Cai","Myrtucomvalones A‒C, three unusual triketone‒sesquiterpene adducts from the leaves of Myrtus communis ‘Variegata’","RSC Adv.","2017","7","37","22735","","10.1039/C7RA02260C","","x-ray","1.54184","CuKα","","0.0985","0.0774","","","0.2304","0.2426","","","","","","1.032","","","","has coordinates","195778","2020-10-21","18:00:00",""
"7228115","26.9768","0.0015","26.9768","0.0015","39.206","0.003","90","","90","","90","","28532","3","296","2","296","2","","","","","","","","5","P 4/m n c","-P 4 2n","128","","","","- C117 H178 Cu6 N30 O50 -","- C55 H30 Cu6 N9 O30 -","- C440 H240 Cu48 N72 O240 -","8","0.5","","Liu, Zhen; Lv, Lingzhi; He, Yabing; Feng, YunLong","An Anionic Metal-Organic Framework Constructed from a Triazole-Functionalized Diisophthalate Featuring Hierarchical Cages for Selective Adsorptive C2H2/CH4 and CO2/CH4 Separation","CrystEngComm","2017","","","","","10.1039/C7CE00661F","","","0.71073","MoKα","","0.1119","0.0576","","","0.1436","0.1583","","","","","","1.083","","","","has coordinates","195796","2020-10-21","18:00:00",""
"7228116","16.6693","0.0005","17.1718","0.0005","20.9256","0.0007","90","","102.355","0.003","90","","5851.1","0.3","173","2","173","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C94 H114 Eu4 N10 O42 Zn2 -","- C94 H114 Eu4 N10 O42 Zn2 -","- C188 H228 Eu8 N20 O84 Zn4 -","2","0.5","","Song, Xue-Qin; Liu, Pan-Pan; Wang, Cai-yun; Liu, Yuan-An; Liu, Wei-Sheng; Zhang, Mo","Three sandwich-type zinc(ii)‒lanthanide(iii) clusters: structures, luminescence and magnetic properties","RSC Adv.","2017","7","37","22692","","10.1039/C7RA01469D","","","0.71073","MoKα","","0.0916","0.0571","","","0.1419","0.1711","","","","","","1.06","","","","has coordinates","195801","2020-10-21","18:00:00",""
"7228117","15.4135","0.0011","17.2583","0.0014","20.5153","0.0016","76.986","0.001","83.237","0.002","66.613","0.001","4877.8","0.7","298","2","298","2","","","","","","","","6","P -1","-P 1","2","","","","- C72 H76 N13 O37 Yb3 Zn2 -","- C72 H76 N13 O37 Yb3 Zn2 -","- C144 H152 N26 O74 Yb6 Zn4 -","2","1","","Song, Xue-Qin; Liu, Pan-Pan; Wang, Cai-yun; Liu, Yuan-An; Liu, Wei-Sheng; Zhang, Mo","Three sandwich-type zinc(ii)‒lanthanide(iii) clusters: structures, luminescence and magnetic properties","RSC Adv.","2017","7","37","22692","","10.1039/C7RA01469D","","","0.71073","MoKα","","0.1209","0.0586","","","0.1115","0.124","","","","","","0.981","","","","has coordinates","195801","2020-10-21","18:00:00",""
"7228118","15.6702","0.0012","17.519","0.0013","20.6367","0.0018","76.87","0.001","82.813","0.002","65.943","0.001","5034.6","0.7","298","2","298","2","","","","","","","","6","P -1","-P 1","2","","","","- C72 H76 Er3 N13 O37 Zn2 -","- C72 H76 Er3 N13 O37 Zn2 -","- C144 H152 Er6 N26 O74 Zn4 -","2","1","","Song, Xue-Qin; Liu, Pan-Pan; Wang, Cai-yun; Liu, Yuan-An; Liu, Wei-Sheng; Zhang, Mo","Three sandwich-type zinc(ii)‒lanthanide(iii) clusters: structures, luminescence and magnetic properties","RSC Adv.","2017","7","37","22692","","10.1039/C7RA01469D","","","0.71073","MoKα","","0.1021","0.0543","","","0.0993","0.1072","","","","","","1.063","","","","has coordinates","195801","2020-10-21","18:00:00",""
"7228119","16.795","0.002","4.9853","0.0007","18.303","0.003","90","","108.387","0.014","90","","1454.2","0.4","293","2","293","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C18 H14 N2 O3 -","- C18 H14 N2 O3 -","- C72 H56 N8 O12 -","4","1","","Kumar, Vijay; Kumar, Pramod; Gupta, Rajeev","Fluorescent detection of multiple ions by two related chemosensors: structural elucidations and logic gate applications","RSC Adv.","2017","7","37","23127","","10.1039/C7RA01453H","","","0.71073","MoKα","","0.1605","0.0697","","","0.1292","0.1685","","","","","","0.984","","","","has coordinates","195802","2020-10-21","18:00:00",""
"7228120","16.2629","0.0005","10.0577","0.0003","23.5572","0.0006","90","","96.692","0.003","90","","3826.94","0.19","298","2","298","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C40 H38 Cd N4 O8 S2 -","- C40 H38 Cd N4 O8 S2 -","- C160 H152 Cd4 N16 O32 S8 -","4","0.5","","Kumar, Vijay; Kumar, Pramod; Gupta, Rajeev","Fluorescent detection of multiple ions by two related chemosensors: structural elucidations and logic gate applications","RSC Adv.","2017","7","37","23127","","10.1039/C7RA01453H","","","0.71073","MoKα","","0.0783","0.0777","","","0.1853","0.1855","","","","","","1.29","","","","has coordinates,has disorder","195802","2020-10-21","18:00:00",""
"7228121","15.1394","0.0005","29.9418","0.0009","26.9456","0.0006","90","","97.628","0.002","90","","12106.4","0.6","100","2","100","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C20 H18 Cl2 N4 O3 -","- C20 H18 Cl2 N4 O3 -","- C480 H432 Cl48 N96 O72 -","24","6","","Mapp, Lucy K.; Coles, Simon; Aitipamula, Srinivasulu","Novel solid forms of lonidamine: crystal structures and physicochemical properties","CrystEngComm","2017","","","","","10.1039/C7CE00651A","","x-ray","0.71073","MoKα","","0.0876","0.0628","","","0.1575","0.1737","","","","","","1.031","","","","has coordinates,has disorder","195837","2020-10-21","18:00:00",""
"7228122","11.6186","0.0005","12.339","0.0008","12.5559","0.0007","68.926","0.006","85.447","0.004","88.975","0.004","1674.24","0.17","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","","","- C34 H30 Cl4 N6 O4 -","- C34 H30 Cl4 N6 O4 -","- C68 H60 Cl8 N12 O8 -","2","1","","Mapp, Lucy K.; Coles, Simon; Aitipamula, Srinivasulu","Novel solid forms of lonidamine: crystal structures and physicochemical properties","CrystEngComm","2017","","","","","10.1039/C7CE00651A","","x-ray","0.71073","MoKα","","0.0622","0.0511","","","0.1539","0.1581","","","","","","1.047","","","","has coordinates","195837","2020-10-21","18:00:00",""
"7228123","11.1266","0.0005","22.3945","0.001","8.5821","0.0005","90","","106.718","0.006","90","","2048.05","0.19","100","2","100","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C20 H16 Cl2 N4 O2 -","- C20 H16 Cl2 N4 O2 -","- C80 H64 Cl8 N16 O8 -","4","1","","Mapp, Lucy K.; Coles, Simon; Aitipamula, Srinivasulu","Novel solid forms of lonidamine: crystal structures and physicochemical properties","CrystEngComm","2017","","","","","10.1039/C7CE00651A","","x-ray","0.71073","MoKα","","0.0692","0.0499","","","0.1045","0.1105","","","","","","1.033","","","","has coordinates","195837","2020-10-21","18:00:00",""
"7228124","20.6918","0.0006","4.61421","0.00012","20.1099","0.0005","90","","90.673","0.002","90","","1919.89","0.09","100","2","100","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C21 H16 Cl2 N4 O3 -","- C21 H16 Cl2 N4 O3 -","- C84 H64 Cl8 N16 O12 -","4","1","","Mapp, Lucy K.; Coles, Simon; Aitipamula, Srinivasulu","Novel solid forms of lonidamine: crystal structures and physicochemical properties","CrystEngComm","2017","","","","","10.1039/C7CE00651A","","x-ray","0.71073","MoKα","K-L~3~","0.0578","0.0532","","","0.1516","0.1569","","","","","","1.069","","","","has coordinates","204140","2020-10-21","18:00:00",""
"7228125","14.1417","0.0006","21.6532","0.0008","7.6525","0.0003","90","","102.654","0.004","90","","2286.38","0.16","100","2","100","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","L3-79-B","","- C23 H20 Cl2 N8 O2 -","- C23 H20 Cl2 N8 O2 -","- C92 H80 Cl8 N32 O8 -","4","1","","Mapp, Lucy K.; Coles, Simon; Aitipamula, Srinivasulu","Novel solid forms of lonidamine: crystal structures and physicochemical properties","CrystEngComm","2017","","","","","10.1039/C7CE00651A","","x-ray","0.71073","MoKα","","0.0815","0.0582","","","0.1054","0.113","","","","","","1.138","","","","has coordinates","195837","2020-10-21","18:00:00",""
"7228126","10.3787","0.0007","11.8719","0.0009","14.0409","0.0008","105.139","0.006","91.651","0.005","91.906","0.006","1667.8","0.2","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","","","- C33 H24 Cl4 N6 O4 -","- C33 H24 Cl4 N6 O4 -","- C66 H48 Cl8 N12 O8 -","2","1","","Mapp, Lucy K.; Coles, Simon; Aitipamula, Srinivasulu","Novel solid forms of lonidamine: crystal structures and physicochemical properties","CrystEngComm","2017","","","","","10.1039/C7CE00651A","","x-ray","0.71073","MoKα","","0.083","0.0717","","","0.2024","0.2092","","","","","","1.076","","","","has coordinates","195837","2020-10-21","18:00:00",""
"7228127","19.3743","0.001","4.7313","0.0002","14.677","0.0007","90","","91.886","0.004","90","","1344.65","0.11","100","2","100","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C15 H10 Cl2 N2 O2 -","- C15 H10 Cl2 N2 O2 -","- C60 H40 Cl8 N8 O8 -","4","1","","Mapp, Lucy K.; Coles, Simon; Aitipamula, Srinivasulu","Novel solid forms of lonidamine: crystal structures and physicochemical properties","CrystEngComm","2017","","","","","10.1039/C7CE00651A","","x-ray","0.71073","MoKα","","0.0842","0.06","","","0.1318","0.1439","","","","","","1.11","","","","has coordinates","195837","2020-10-21","18:00:00",""
"7228128","32.6725","0.0011","26.2388","0.0013","8.6827","0.0003","90","","93.879","0.003","90","","7426.5","0.5","100","2","100","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C40 H28 Cl4 N6 O4 -","- C40 H28 Cl4 N6 O4 -","- C320 H224 Cl32 N48 O32 -","8","2","","Mapp, Lucy K.; Coles, Simon; Aitipamula, Srinivasulu","Novel solid forms of lonidamine: crystal structures and physicochemical properties","CrystEngComm","2017","","","","","10.1039/C7CE00651A","","x-ray","0.71073","MoKα","","0.1561","0.0758","","","0.1516","0.174","","","","","","0.975","","","","has coordinates,has disorder","195837","2020-10-21","18:00:00",""
"7228129","16.8612","0.0005","10.8847","0.0003","39.3807","0.0011","90","","101.781","0.003","90","","7075.3","0.4","100","2","100","2","","","","","","","","6","I 1 2/a 1","-I 2ya","15","","","","- C36 H39 Cl3 F N3 O7 -","- C36 H39 Cl3 F N3 O7 -","- C288 H312 Cl24 F8 N24 O56 -","8","1","","Mapp, Lucy K.; Coles, Simon; Aitipamula, Srinivasulu","Novel solid forms of lonidamine: crystal structures and physicochemical properties","CrystEngComm","2017","","","","","10.1039/C7CE00651A","","x-ray","0.71073","MoKα","","0.0634","0.0478","","","0.1043","0.1109","","","","","","1.024","","","","has coordinates,has disorder","195837","2020-10-21","18:00:00",""
"7228130","10.9724","0.0003","13.1874","0.0003","8.8415","0.0003","90","","109.768","0.003","90","","1203.95","0.06","100","0.2","100","0.2","","","","","","","","5","P 1 c 1","P -2yc","7","","","","- C24 H24 Cl2 N4 O4 -","- C24 H24 Cl2 N4 O4 -","- C48 H48 Cl4 N8 O8 -","2","1","","Mapp, Lucy K.; Coles, Simon; Aitipamula, Srinivasulu","Novel solid forms of lonidamine: crystal structures and physicochemical properties","CrystEngComm","2017","","","","","10.1039/C7CE00651A","","x-ray","0.71073","MoKα","","0.0335","0.0322","","","0.082","0.083","","","","","","1.052","","","","has coordinates","195837","2020-10-21","18:00:00",""
"7228131","10.0605","0.0005","11.0252","0.0006","16.3298","0.001","88.224","0.004","76.212","0.005","84.969","0.004","1752.22","0.17","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","","","- C36 H28 Cl4 N8 O4 -","- C36 H28 Cl4 N8 O4 -","- C72 H56 Cl8 N16 O8 -","2","1","","Mapp, Lucy K.; Coles, Simon; Aitipamula, Srinivasulu","Novel solid forms of lonidamine: crystal structures and physicochemical properties","CrystEngComm","2017","","","","","10.1039/C7CE00651A","","x-ray","0.71073","MoKα","K-L~3~","0.0833","0.0553","","","0.1378","0.1521","","","","","","1.042","","","","has coordinates,has disorder","204140","2020-10-21","18:00:00",""
"7228132","18.3534","0.0008","10.1","0.0003","11.0376","0.0004","90","","99.146","0.004","90","","2020.02","0.13","100","2","100","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C22 H17 Cl2 N3 O3 -","- C22 H17 Cl2 N3 O3 -","- C88 H68 Cl8 N12 O12 -","4","1","","Mapp, Lucy K.; Coles, Simon; Aitipamula, Srinivasulu","Novel solid forms of lonidamine: crystal structures and physicochemical properties","CrystEngComm","2017","","","","","10.1039/C7CE00651A","","x-ray","0.71073","MoKα","","0.0558","0.0424","","","0.1068","0.1143","","","","","","1.024","","","","has coordinates","195837","2020-10-21","18:00:00",""
"7228133","12.991","0.0003","7.6724","0.0002","19.8344","0.0005","90","","97.409","0.002","90","","1960.43","0.08","100","2","100","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C21 H16 Cl2 N4 O3 -","- C21 H16 Cl2 N4 O3 -","- C84 H64 Cl8 N16 O12 -","4","1","","Mapp, Lucy K.; Coles, Simon; Aitipamula, Srinivasulu","Novel solid forms of lonidamine: crystal structures and physicochemical properties","CrystEngComm","2017","","","","","10.1039/C7CE00651A","","x-ray","0.71073","MoKα","","0.0453","0.0393","","","0.0926","0.0967","","","","","","1.048","","","","has coordinates","195837","2020-10-21","18:00:00",""
"7228134","7.0752","0.0004","8.175","0.0004","16.8057","0.001","99.416","0.005","100.168","0.005","94.778","0.005","937.56","0.09","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","","","- C18 H16 Cl2 N8 O2 -","- C18 H16 Cl2 N8 O2 -","- C36 H32 Cl4 N16 O4 -","2","1","","Mapp, Lucy K.; Coles, Simon; Aitipamula, Srinivasulu","Novel solid forms of lonidamine: crystal structures and physicochemical properties","CrystEngComm","2017","","","","","10.1039/C7CE00651A","","x-ray","0.71073","MoKα","","0.0406","0.036","","","0.0892","0.0921","","","","","","1.041","","","","has coordinates","195837","2020-10-21","18:00:00",""
"7228135","8.5711","0.0002","12.3681","0.0004","16.627","0.0005","79.963","0.003","81.329","0.002","84.947","0.003","1712.32","0.09","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","","","- C37 H30 Cl4 N6 O4 -","- C37 H30 Cl4 N6 O4 -","- C74 H60 Cl8 N12 O8 -","2","1","","Mapp, Lucy K.; Coles, Simon; Aitipamula, Srinivasulu","Novel solid forms of lonidamine: crystal structures and physicochemical properties","CrystEngComm","2017","","","","","10.1039/C7CE00651A","","x-ray","0.71073","MoKα","","0.0611","0.0466","","","0.0994","0.1056","","","","","","1.048","","","","has coordinates,has disorder","195837","2020-10-21","18:00:00",""
"7228136","13.0507","0.0002","9.033","0.0002","19.0712","0.0004","90","","99.214","0.002","90","","2219.24","0.08","100","2","100","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C22 H24 Cl2 N4 O4 -","- C22 H24 Cl2 N4 O4 -","- C88 H96 Cl8 N16 O16 -","4","1","","Mapp, Lucy K.; Coles, Simon; Aitipamula, Srinivasulu","Novel solid forms of lonidamine: crystal structures and physicochemical properties","CrystEngComm","2017","","","","","10.1039/C7CE00651A","","x-ray","0.71073","MoKα","","0.0357","0.0322","","","0.0822","0.0846","","","","","","1.058","","","","has coordinates","195837","2020-10-21","18:00:00",""
"7228137","7.77896","0.00016","31.5718","0.0007","7.72521","0.00016","90","","97.1388","0.0019","90","","1882.57","0.07","100","2","100","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C19 H17 Cl2 N7 O2 -","- C19 H17 Cl2 N7 O2 -","- C76 H68 Cl8 N28 O8 -","4","1","","Mapp, Lucy K.; Coles, Simon; Aitipamula, Srinivasulu","Novel solid forms of lonidamine: crystal structures and physicochemical properties","CrystEngComm","2017","","","","","10.1039/C7CE00651A","","x-ray","0.71073","MoKα","","0.0424","0.0419","","","0.0965","0.0967","","","","","","1.185","","","","has coordinates","195837","2020-10-21","18:00:00",""
"7228138","14.3285","0.0016","9.7542","0.0004","21.475","0.002","90","","136.08","0.02","90","","2081.9","0.8","142.95","0.1","142.95","0.1","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C20 H17 Cl3 N2 O4 -","- C20 H17 Cl3 N2 O4 -","- C80 H68 Cl12 N8 O16 -","4","1","","Xiong, Xinnuo; Du, Qiaohong; Zeng, Xia; He, Jiawei; Yang, Hongqin; Li, Hui","Solvates and polymorphs of rebamipide: preparation, characterization, and physicochemical analysis","RSC Adv.","2017","7","38","23279","","10.1039/C7RA02895D","","x-ray","0.71073","MoKα","","0.103","0.059","","","0.1612","0.1755","","","","","","0.912","","","","has coordinates","195842","2020-10-21","18:00:00",""
"7228139","8.9468","0.0009","28.971","0.003","9.8022","0.0011","90","","97.029","0.01","90","","2521.6","0.5","148","0.1","148","0.1","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C23 H27 Cl N2 O6 S2 -","- C23 H27 Cl N2 O6 S2 -","- C92 H108 Cl4 N8 O24 S8 -","4","1","","Xiong, Xinnuo; Du, Qiaohong; Zeng, Xia; He, Jiawei; Yang, Hongqin; Li, Hui","Solvates and polymorphs of rebamipide: preparation, characterization, and physicochemical analysis","RSC Adv.","2017","7","38","23279","","10.1039/C7RA02895D","","x-ray","0.71073","MoKα","","0.1231","0.0772","","","0.2009","0.221","","","","","","1.049","","","","has coordinates,has disorder","195842","2020-10-21","18:00:00",""
"7228140","7.8748","0.0005","10.405","0.0008","19.3554","0.0017","90","","90","","90","","1585.9","0.2","296","2","296","2","","","","","","","","5","P n m a","-P 2ac 2n","62","","","","- C8 H13 I3 N2 Pb -","- C8 H13 I3 N2 Pb -","- C32 H52 I12 N8 Pb4 -","4","0.5","","Duan, Hai-Bao; Yu, Shan-Shan; Liu, Shao-Xian; Zhang, Hui","A multi-functional iodoplumbate-based hybrid crystal: 1-propyl-4-aminopyridinium triiodoplumbate","RSC Adv.","2017","7","37","23234","","10.1039/C7RA03524A","","","0.71073","MoKα","","0.0949","0.0832","","","0.2296","0.246","","","","","","1.12","","","","has coordinates,has disorder","195843","2020-10-21","18:00:00",""
"7228141","7.8013","0.0011","10.2985","0.0015","19.117","0.003","90","","90","","90","","1535.9","0.4","120","2","120","2","","","","","","","","5","P n m a","-P 2ac 2n","62","","","","- C8 H13 I3 N2 Pb -","- C8 H13 I3 N2 Pb -","- C32 H52 I12 N8 Pb4 -","4","0.5","","Duan, Hai-Bao; Yu, Shan-Shan; Liu, Shao-Xian; Zhang, Hui","A multi-functional iodoplumbate-based hybrid crystal: 1-propyl-4-aminopyridinium triiodoplumbate","RSC Adv.","2017","7","37","23234","","10.1039/C7RA03524A","","","0.71073","MoKα","","0.0283","0.0231","","","0.0565","0.0584","","","","","","1.094","","","","has coordinates","195843","2020-10-21","18:00:00",""
"7228142","10.8971","0.0005","10.907","0.0006","13.6446","0.0004","78.06","0.004","77.934","0.003","79.38","0.004","1534.63","0.12","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C32 H26 Cu2 N4 O8 -","- C32 H26 Cu2 N4 O8 -","- C64 H52 Cu4 N8 O16 -","2","1","","Shi, Lu-Lu; Zheng, Tian-Rui; Li, Min; Qian, Lin-Lu; Li, Bao-Long; Li, Hai-Yan","A series of five-coordinated copper coordination polymers for efficient degradation of organic dyes under visible light irradiation","RSC Adv.","2017","7","38","23432","","10.1039/C7RA03268D","","","0.71073","MoKα","","0.0564","0.0401","","","0.081","0.0902","","","","","","1.052","","","","has coordinates","195844","2020-10-21","18:00:00",""
"7228143","9.7731","0.0006","9.8545","0.0007","22.5635","0.0009","86.079","0.004","88.972","0.004","68.582","0.006","2018.2","0.2","253","2","253","2","","","","","","","","5","P -1","-P 1","2","","","","- C38 H39 Cu2 N8 O11 -","- C38 H34 Cu2 N8 O11 -","- C76 H68 Cu4 N16 O22 -","2","1","","Shi, Lu-Lu; Zheng, Tian-Rui; Li, Min; Qian, Lin-Lu; Li, Bao-Long; Li, Hai-Yan","A series of five-coordinated copper coordination polymers for efficient degradation of organic dyes under visible light irradiation","RSC Adv.","2017","7","38","23432","","10.1039/C7RA03268D","","","0.71073","MoKα","","0.0958","0.0735","","","0.1958","0.2084","","","","","","1.091","","","","has coordinates","195844","2020-10-21","18:00:00",""
"7228144","9.452","0.0006","12.2857","0.0008","13.6945","0.001","93.448","0.006","94.362","0.006","94.392","0.005","1577.52","0.19","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C34 H30 Cu2 N4 O8 -","- C34 H30 Cu2 N4 O8 -","- C68 H60 Cu4 N8 O16 -","2","1","","Shi, Lu-Lu; Zheng, Tian-Rui; Li, Min; Qian, Lin-Lu; Li, Bao-Long; Li, Hai-Yan","A series of five-coordinated copper coordination polymers for efficient degradation of organic dyes under visible light irradiation","RSC Adv.","2017","7","38","23432","","10.1039/C7RA03268D","","","0.71073","MoKα","","0.0604","0.0402","","","0.092","0.1008","","","","","","1.021","","","","has coordinates","195844","2020-10-21","18:00:00",""
"7228145","10.1526","0.0011","11.2399","0.0008","11.96","0.0013","88.231","0.007","88.555","0.009","82.101","0.007","1350.9","0.2","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C50 H54 Cu4 N8 O19 -","- C50 H50 Cu4 N8 O19 -","- C50 H50 Cu4 N8 O19 -","1","0.5","","Shi, Lu-Lu; Zheng, Tian-Rui; Li, Min; Qian, Lin-Lu; Li, Bao-Long; Li, Hai-Yan","A series of five-coordinated copper coordination polymers for efficient degradation of organic dyes under visible light irradiation","RSC Adv.","2017","7","38","23432","","10.1039/C7RA03268D","","","0.71073","MoKα","","0.0959","0.0555","","","0.1218","0.1362","","","","","","1.004","","","","has coordinates","195844","2020-10-21","18:00:00",""
"7228146","10.262","0.0003","21.1852","0.0005","15.7859","0.0004","90","","97.52","0.003","90","","3402.38","0.16","223","0.1","223","0.1","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C36 H34 Cu2 N4 O9 -","- C36 H32 Cu2 N4 O9 -","- C144 H128 Cu8 N16 O36 -","4","0.5","","Shi, Lu-Lu; Zheng, Tian-Rui; Li, Min; Qian, Lin-Lu; Li, Bao-Long; Li, Hai-Yan","A series of five-coordinated copper coordination polymers for efficient degradation of organic dyes under visible light irradiation","RSC Adv.","2017","7","38","23432","","10.1039/C7RA03268D","","","1.54184","CuKα","","0.0524","0.046","","","0.1238","0.1299","","","","","","1.044","","","","has coordinates,has disorder","195844","2020-10-21","18:00:00",""
"7228147","15.889","0.002","14.854","0.002","22.217","0.003","90","","90","","90","","5243.5","1.2","298","2","298","2","","","","","","","","6","P b c a","-P 2ac 2ab","61","","","","- C26 H24 F3 N5 O4 S -","- C26 H24 F3 N5 O4 S -","- C208 H192 F24 N40 O32 S8 -","8","1","","Kumar, Vineet; Thaimattam, Ram; Dutta, Sanjay; Munshi, Parthapratim; Ramanan, A.","Structural landscape of multicomponent solids based on sulfa drugs","CrystEngComm","2017","","","","","10.1039/C7CE00217C","","","0.71073","MoKα","","0.1031","0.0671","","","0.197","0.2242","","","","","","1.024","","","","has coordinates","195861","2020-10-21","18:00:00",""
"7228148","8.0233","0.0013","14.923","0.003","15.703","0.003","90","","97.694","0.004","90","","1863.2","0.6","298","2","298","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C17 H20 N6 O2 S -","- C17 H20 N6 O2 S -","- C68 H80 N24 O8 S4 -","4","2","","Kumar, Vineet; Thaimattam, Ram; Dutta, Sanjay; Munshi, Parthapratim; Ramanan, A.","Structural landscape of multicomponent solids based on sulfa drugs","CrystEngComm","2017","","","","","10.1039/C7CE00217C","","","0.71073","MoKα","","0.0677","0.0506","","","0.1078","0.1152","","","","","","1.027","","","","has coordinates","195861","2020-10-21","18:00:00",""
"7228149","15.84","0.002","14.613","0.002","21.829","0.003","90","","90","","90","","5052.8","1.2","298","2","298","2","","","","","","","","6","P b c a","-P 2ac 2ab","61","","","","- C25 H23 F3 N6 O4 S -","- C25 H23 F3 N6 O4 S -","- C200 H184 F24 N48 O32 S8 -","8","1","","Kumar, Vineet; Thaimattam, Ram; Dutta, Sanjay; Munshi, Parthapratim; Ramanan, A.","Structural landscape of multicomponent solids based on sulfa drugs","CrystEngComm","2017","","","","","10.1039/C7CE00217C","","","0.71073","MoKα","","0.0622","0.0475","","","0.1153","0.1226","","","","","","1.042","","","","has coordinates","195861","2020-10-21","18:00:00",""
"7228150","8.0883","0.0015","8.2003","0.0016","11.818","0.002","108.255","0.003","94.274","0.005","104.221","0.003","711.7","0.2","298","2","298","2","","","","","","","","5","P -1","-P 1","2","","","","- C12 H16 N4 O3 S -","- C12 H16 N4 O3 S -","- C24 H32 N8 O6 S2 -","2","1","","Kumar, Vineet; Thaimattam, Ram; Dutta, Sanjay; Munshi, Parthapratim; Ramanan, A.","Structural landscape of multicomponent solids based on sulfa drugs","CrystEngComm","2017","","","","","10.1039/C7CE00217C","","","0.71073","MoKα","","0.066","0.064","","","0.1905","0.1972","","","","","","1.091","","","","has coordinates","195861","2020-10-21","18:00:00",""
"7228151","6.2696","0.0012","13.417","0.003","19.801","0.004","90","","94.89","0.004","90","","1659.6","0.6","298","2","298","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C14 H19 N5 O2 S -","- C14 H19 N5 O2 S -","- C56 H76 N20 O8 S4 -","4","1","","Kumar, Vineet; Thaimattam, Ram; Dutta, Sanjay; Munshi, Parthapratim; Ramanan, A.","Structural landscape of multicomponent solids based on sulfa drugs","CrystEngComm","2017","","","","","10.1039/C7CE00217C","","","0.71073","MoKα","","0.067","0.0541","","","0.1365","0.1424","","","","","","1.095","","","","has coordinates","195861","2020-10-21","18:00:00",""
"7228152","7.871","0.002","9.438","0.003","12.417","0.004","101.99","0.006","103.624","0.007","103.701","0.006","836.3","0.4","298","2","298","2","","","","","","","","5","P -1","-P 1","2","","","","- C16 H18 N6 O2 S -","- C16 H18 N6 O2 S -","- C32 H36 N12 O4 S2 -","2","1","","Kumar, Vineet; Thaimattam, Ram; Dutta, Sanjay; Munshi, Parthapratim; Ramanan, A.","Structural landscape of multicomponent solids based on sulfa drugs","CrystEngComm","2017","","","","","10.1039/C7CE00217C","","","0.71073","MoKα","","0.0808","0.0613","","","0.1668","0.2067","","","","","","1.053","","","","has coordinates","195861","2020-10-21","18:00:00",""
"7228153","5.9301","0.0009","13.886","0.002","18.557","0.003","86.989","0.003","81.358","0.003","82.556","0.003","1497.1","0.4","298","2","298","2","","","","","","","","5","P -1","-P 1","2","","","","- C26 H34 N10 O4 S2 -","- C26 H34 N10 O4 S2 -","- C52 H68 N20 O8 S4 -","2","1","","Kumar, Vineet; Thaimattam, Ram; Dutta, Sanjay; Munshi, Parthapratim; Ramanan, A.","Structural landscape of multicomponent solids based on sulfa drugs","CrystEngComm","2017","","","","","10.1039/C7CE00217C","","","0.71073","MoKα","","0.0699","0.0506","","","0.1468","0.185","","","","","","1.019","","","","has coordinates","195861","2020-10-21","18:00:00",""
"7228154","10.2001","0.0018","11.201","0.002","15.778","0.003","106.698","0.003","91.809","0.003","101.329","0.004","1685.6","0.5","298","2","298","2","","","","","","","","5","P -1","-P 1","2","","","","- C15 H18 N5 O3.5 S -","- C15 H18 N5 O3.5 S -","- C60 H72 N20 O14 S4 -","4","2","","Kumar, Vineet; Thaimattam, Ram; Dutta, Sanjay; Munshi, Parthapratim; Ramanan, A.","Structural landscape of multicomponent solids based on sulfa drugs","CrystEngComm","2017","","","","","10.1039/C7CE00217C","","","0.71073","MoKα","","0.0813","0.0526","","","0.1222","0.1447","","","","","","1.002","","","","has coordinates","203412","2020-10-21","18:00:00",""
"7228155","9.946","0.0004","10.7","0.0005","10.84","0.0005","97.035","0.001","99.139","0.001","116.083","0.001","998.63","0.08","296","2","296","2","","","","","","","","7","P -1","-P 1","2","","","","- C14 H36 Mn2 Mo6 N4 O36 Te -","- C14 H36 Mn2 Mo6 N4 O36 Te -","- C14 H36 Mn2 Mo6 N4 O36 Te -","1","0.5","","Wang, Xiuli; Sun, Junjun; Lin, Hongyan; Chang, Zhihan; Liu, Guocheng; Wang, Xiang","A series of novel Anderson-type Polyoxometalate-based MnII Complexes constructed from pyridyl-derivatives: Assembly, structures, electrochemical and photocatalytic properties","CrystEngComm","2017","","","","","10.1039/C7CE00659D","","","0.71069","MoKα","","0.0276","0.024","","","0.0622","0.0642","","","","","","0.998","","","","has coordinates","195862","2020-10-21","18:00:00",""
"7228156","7.106","0.0013","11.066","0.002","13.489","0.002","86.196","0.003","79.701","0.003","89.749","0.003","1041.3","0.3","296","2","296","2","","","","","","","","7","P -1","-P 1","2","","","","- C18 H25 Cr Mn2 Mo6 N14 O28 -","- C18 H20 Cr Mn2 Mo6 N14 O28 -","- C18 H20 Cr Mn2 Mo6 N14 O28 -","1","0.5","","Wang, Xiuli; Sun, Junjun; Lin, Hongyan; Chang, Zhihan; Liu, Guocheng; Wang, Xiang","A series of novel Anderson-type Polyoxometalate-based MnII Complexes constructed from pyridyl-derivatives: Assembly, structures, electrochemical and photocatalytic properties","CrystEngComm","2017","","","","","10.1039/C7CE00659D","","","0.71069","MoKα","","0.0392","0.0359","","","0.1043","0.1065","","","","","","1.003","","","","has coordinates","195862","2020-10-21","18:00:00",""
"7228157","7.0352","0.0016","11.367","0.003","21.063","0.005","88.386","0.004","89.989","0.005","77.187","0.004","1641.8","0.7","296","2","296","2","","","","","","","","7","P -1","-P 1","2","","","","- C14 H23 Cr Mn Mo6 N4 O27 -","- C14 H17 Cr Mn Mo6 N4 O27 -","- C28 H34 Cr2 Mn2 Mo12 N8 O54 -","2","1","","Wang, Xiuli; Sun, Junjun; Lin, Hongyan; Chang, Zhihan; Liu, Guocheng; Wang, Xiang","A series of novel Anderson-type Polyoxometalate-based MnII Complexes constructed from pyridyl-derivatives: Assembly, structures, electrochemical and photocatalytic properties","CrystEngComm","2017","","","","","10.1039/C7CE00659D","","","0.71073","MoKα","","0.1056","0.0928","","","0.2328","0.2389","","","","","","1.071","","","","has coordinates,has disorder","195862","2020-10-21","18:00:00",""
"7228158","10.0024","0.0009","6.9487","0.0007","17.5896","0.0015","90","","98.794","0.009","90","","1208.2","0.2","120","2","120","2","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","","","- C16 H14 N2 -","- C16 H14 N2 -","- C64 H56 N8 -","4","1","","Jin, Jing; Guidi, Sandro; Abada, Zahra; Amara, Zacharias; Selva, Maurizio; George, Michael W.; Poliakoff, Martyn","Continuous niobium phosphate catalysed Skraup reaction for quinoline synthesis from solketal","Green Chem.","2017","","","","","10.1039/C6GC03140D","","x-ray","1.54184","CuKα","","0.0451","0.0395","","","0.1042","0.1091","","","","","","1.026","","","","has coordinates","195863","2020-10-21","18:00:00",""
"7228159","9.969","0.001","12.775","0.001","20.278","0.001","90","","90","","90","","2582.5","0.4","293","2","293","2","","","","","","","","4","P c a b","-P 2bc 2ac","61","DTBT","'4,7-dithien-2-yl-2,1,3-benzothiadiazole'","","- C14 H8 N2 S3 -","- C13.992 H7.59 N2 S2.992 -","- C111.936 H60.72 N16 S23.936 -","8","1","","Iagatti, Alessandro; Patrizi, Barbara; Basagni, Andrea; Marcelli, Agnese; Alessi, Andrea; Zanardi, Stefano; Fusco, Roberto; Salvalaggio, Mario; Bussotti, Laura; FOGGI, Paolo","Photophysical properties and excited state dynamics of 4,7-dithien-2-yl-2,1,3-benzothiadiazole","Phys. Chem. Chem. Phys.","2017","","","","","10.1039/C6CP08721C","","","0.71073","MoKα","","0.0961","0.0511","","0.1767","0.1483","","","","0.997","1.091","1.091","","","","","has coordinates","195866","2020-10-21","18:00:00",""
"7228160","8.6865","0.0003","11.0532","0.0004","22.5491","0.0008","90","","95.493","0.003","90","","2155.08","0.13","293","2","293","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C25 H15 F6 N -","- C25 H15 F6 N -","- C100 H60 F24 N4 -","4","1","","Jian, Lei; He, Hai-Yu; Huang, Jin; Wu, Qian-Hui; Yuan, Mao-Lin; Fu, Hai-Yan; Zheng, Xue-Li; Chen, Hua; Li, Rui-Xiang","Combination of RuCl3·xH2O with PEG ‒ a simple and recyclable catalytic system for direct arylation of heteroarenes via C‒H bond activation","RSC Adv.","2017","7","38","23515","","10.1039/C7RA02638B","","x-ray","1.54184","CuKα","","0.0696","0.0605","","","0.172","0.1835","","","","","","1.045","","","","has coordinates","195867","2020-10-21","18:00:00",""
"7228161","4.1254","0.0001","10.6052","0.0003","11.9696","0.0003","90","","96.02","0.002","90","","520.79","0.02","153","2","153","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C4 H3 Cl N2 O -","- C4 H3 Cl N2 O -","- C16 H12 Cl4 N8 O4 -","4","1","","Hübscher, Jörg; Seichter, Wilhelm; Weber, Edwin","Intermolecular contacts in the crystal structures of specifically varied halogen and protonic group substituted azines","CrystEngComm","2017","","","","","10.1039/C7CE00548B","","","0.71073","MoKα","","0.0316","0.0268","","","0.0739","0.0772","","","","","","1.032","","","","has coordinates","195899","2020-10-21","18:00:00",""
"7228162","3.8613","0.0001","11.4201","0.0002","16.0731","0.0003","90","","95.936","0.001","90","","704.97","0.03","153","2","153","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C7 H3 Cl2 N -","- C7 H3 Cl2 N -","- C28 H12 Cl8 N4 -","4","1","","Hübscher, Jörg; Seichter, Wilhelm; Weber, Edwin","Intermolecular contacts in the crystal structures of specifically varied halogen and protonic group substituted azines","CrystEngComm","2017","","","","","10.1039/C7CE00548B","","","0.71073","MoKα","","0.028","0.0238","","","0.0623","0.065","","","","","","1.075","","","","has coordinates","195899","2020-10-21","18:00:00",""
"7228163","13.4092","0.0004","6.7578","0.0002","7.9577","0.0002","90","","90","","90","","721.1","0.04","100","2","100","2","","","","","","","","5","P n m a","-P 2ac 2n","62","","","","- C5 H2 Cl2 I N -","- C5 H2 Cl2 I N -","- C20 H8 Cl8 I4 N4 -","4","0.5","","Hübscher, Jörg; Seichter, Wilhelm; Weber, Edwin","Intermolecular contacts in the crystal structures of specifically varied halogen and protonic group substituted azines","CrystEngComm","2017","","","","","10.1039/C7CE00548B","","","0.71073","MoKα","","0.0168","0.0149","","","0.0352","0.0359","","","","","","1.095","","","","has coordinates","195899","2020-10-21","18:00:00",""
"7228164","14.8774","0.0003","6.7419","0.0002","6.1893","0.0001","90","","90","","90","","620.8","0.02","153","2","153","2","","","","","","","","5","P n m a","-P 2ac 2n","62","","","","- C4 H2 Cl I N2 -","- C4 H2 Cl I N2 -","- C16 H8 Cl4 I4 N8 -","4","0.5","","Hübscher, Jörg; Seichter, Wilhelm; Weber, Edwin","Intermolecular contacts in the crystal structures of specifically varied halogen and protonic group substituted azines","CrystEngComm","2017","","","","","10.1039/C7CE00548B","","","0.71073","MoKα","","0.0234","0.0188","","","0.0463","0.0488","","","","","","1.152","","","","has coordinates","195899","2020-10-21","18:00:00",""
"7228165","10.2378","0.0004","10.7582","0.0005","11.6502","0.0006","90.007","0.002","102.099","0.002","110.257","0.002","1173.35","0.1","293","2","120","","","","","","","","","3","P -1","-P 1","2","","","","- C23 H28 B10 -","- C23 H28 B10 -","- C46 H56 B20 -","2","1","","Wang, Zhaojin; Wang, Tianyu; Zhang, Chi; Humphrey, Mark G.","Efficient crystallization-induced emission in fluorenyl-tethered carboranes","Phys. Chem. Chem. Phys.","2017","","","","","10.1039/C7CP02118F","","","0.71073","MoKα","","0.0931","0.0668","","","0.1359","0.1491","","","","","","0.939","","","","has coordinates","195909","2020-10-21","18:00:00",""
"7228166","29.1255","0.0009","29.1255","0.0009","14.6448","0.0005","90","","90","","90","","12423.1","0.7","293","2","293","2","","","","","","","","3","I 41/a :2","-I 4ad","88","pFl-Cb-H","","","- C27 H28 B10 -","- C27 H28 B10 -","- C432 H448 B160 -","16","1","","Wang, Zhaojin; Wang, Tianyu; Zhang, Chi; Humphrey, Mark G.","Efficient crystallization-induced emission in fluorenyl-tethered carboranes","Phys. Chem. Chem. Phys.","2017","","","","","10.1039/C7CP02118F","","","0.71073","MoKα","","0.0952","0.089","","","0.3055","0.3329","","","","","","0.826","","","","has coordinates","195909","2020-10-21","18:00:00",""
"7228167","10.7377","0.0004","15.4048","0.0006","18.3711","0.0007","90.481","0.002","97.83","0.002","91.483","0.002","3009.2","0.2","120","","120","","","","","","","","","3","P -1","-P 1","2","","","","- C32 H36 B10 -","- C32 H36 B10 -","- C128 H144 B40 -","4","2","","Wang, Zhaojin; Wang, Tianyu; Zhang, Chi; Humphrey, Mark G.","Efficient crystallization-induced emission in fluorenyl-tethered carboranes","Phys. Chem. Chem. Phys.","2017","","","","","10.1039/C7CP02118F","","","0.71073","MoKα","","0.0739","0.0489","","","0.1033","0.1145","","","","","","0.994","","","","has coordinates","195909","2020-10-21","18:00:00",""
"7228168","15.1696","0.0016","16.2061","0.0017","5.6087","0.0006","90","","90","","90","","1378.8","0.3","90","2","90","2","","","","","","","","5","P 21 21 2","P 2 2ab","18","Co(B-Bn)2","","","- C34 H32 Co N2 O2 -","- C34 H32 Co N2 O2 -","- C68 H64 Co2 N4 O4 -","2","0.5","","Powers, Xian B.; Ghiassi, Kamran B.; Greenfield, Joshua T.; Olmstead, Marilyn M.; Balch, Alan L.","Interrelationships between the tetrahedral and planar polymorphs of bis(3-ethylamino-1-phenyl-but-2-en-1-ono)nickel(ii) and structural comparisons with related CoII, NiII, CuII, and ZnII complexes","CrystEngComm","2017","","","","","10.1039/C7CE00638A","","","0.71073","MoKα","","0.029","0.0263","","","0.0658","0.0671","","","","","","1.054","","","","has coordinates","195948","2020-10-21","18:00:00",""
"7228169","7.516","0.0005","12.6431","0.0009","13.1097","0.0014","118.47","0.002","101.607","0.002","95.514","0.002","1045.7","0.15","90","2","90","2","","","","","","","","5","P -1","-P 1","2","Ni(B-Et)2","","","- C24 H28 N2 Ni O2 -","- C24 H28 N2 Ni O2 -","- C48 H56 N4 Ni2 O4 -","2","1","","Powers, Xian B.; Ghiassi, Kamran B.; Greenfield, Joshua T.; Olmstead, Marilyn M.; Balch, Alan L.","Interrelationships between the tetrahedral and planar polymorphs of bis(3-ethylamino-1-phenyl-but-2-en-1-ono)nickel(ii) and structural comparisons with related CoII, NiII, CuII, and ZnII complexes","CrystEngComm","2017","","","","","10.1039/C7CE00638A","","","0.71073","MoKα","","0.0311","0.022","","","0.066","0.068","","","","","","1.089","","","","has coordinates","195948","2020-10-21","18:00:00",""
"7228170","12.813","0.002","7.2285","0.0013","23.157","0.004","90","","90.407","0.002","90","","2144.7","0.6","90","2","90","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","Cu(B-Et)2","","","- C24 H28 Cu N2 O2 -","- C24 H28 Cu N2 O2 -","- C96 H112 Cu4 N8 O8 -","4","1","","Powers, Xian B.; Ghiassi, Kamran B.; Greenfield, Joshua T.; Olmstead, Marilyn M.; Balch, Alan L.","Interrelationships between the tetrahedral and planar polymorphs of bis(3-ethylamino-1-phenyl-but-2-en-1-ono)nickel(ii) and structural comparisons with related CoII, NiII, CuII, and ZnII complexes","CrystEngComm","2017","","","","","10.1039/C7CE00638A","","","0.71073","MoKα","","0.0519","0.0383","","","0.099","0.1077","","","","","","1.041","","","","has coordinates","195948","2020-10-21","18:00:00",""
"7228171","9.509","0.005","9.826","0.005","12.281","0.006","87.621","0.008","70.731","0.007","74.265","0.008","1041.2","0.9","90","2","90","2","","","","","","","","5","P -1","-P 1","2","Ni(B-Et)2","","","- C24 H28 N2 Ni O2 -","- C24 H28 N2 Ni O2 -","- C48 H56 N4 Ni2 O4 -","2","1","","Powers, Xian B.; Ghiassi, Kamran B.; Greenfield, Joshua T.; Olmstead, Marilyn M.; Balch, Alan L.","Interrelationships between the tetrahedral and planar polymorphs of bis(3-ethylamino-1-phenyl-but-2-en-1-ono)nickel(ii) and structural comparisons with related CoII, NiII, CuII, and ZnII complexes","CrystEngComm","2017","","","","","10.1039/C7CE00638A","","","0.71073","MoKα","","0.043","0.0368","","","0.102","0.1059","","","","","","1.092","","","","has coordinates","195948","2020-10-21","18:00:00",""
"7228172","13.8756","0.0012","14.6124","0.0013","14.7723","0.0013","90","","112.421","0.001","90","","2768.8","0.4","90","2","90","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","beta Zn(B-Bn)2","","","- C34 H32 N2 O2 Zn -","- C34 H32 N2 O2 Zn -","- C136 H128 N8 O8 Zn4 -","4","1","","Powers, Xian B.; Ghiassi, Kamran B.; Greenfield, Joshua T.; Olmstead, Marilyn M.; Balch, Alan L.","Interrelationships between the tetrahedral and planar polymorphs of bis(3-ethylamino-1-phenyl-but-2-en-1-ono)nickel(ii) and structural comparisons with related CoII, NiII, CuII, and ZnII complexes","CrystEngComm","2017","","","","","10.1039/C7CE00638A","","","0.71073","MoKα","","0.0441","0.0359","","","0.0915","0.0961","","","","","","1.047","","","","has coordinates","195948","2020-10-21","18:00:00",""
"7228173","7.5225","0.0003","25.9549","0.0012","6.9974","0.0003","90","","98.533","0.001","90","","1351.09","0.1","90","2","90","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","Ni(B-Bn)2","","","- C34 H32 N2 Ni O2 -","- C34 H32 N2 Ni O2 -","- C68 H64 N4 Ni2 O4 -","2","0.5","","Powers, Xian B.; Ghiassi, Kamran B.; Greenfield, Joshua T.; Olmstead, Marilyn M.; Balch, Alan L.","Interrelationships between the tetrahedral and planar polymorphs of bis(3-ethylamino-1-phenyl-but-2-en-1-ono)nickel(ii) and structural comparisons with related CoII, NiII, CuII, and ZnII complexes","CrystEngComm","2017","","","","","10.1039/C7CE00638A","","","0.71073","MoKα","","0.0362","0.033","","","0.095","0.0971","","","","","","1.058","","","","has coordinates","195948","2020-10-21","18:00:00",""
"7228174","12.6021","0.0017","13.2685","0.0018","14.856","0.002","102.934","0.002","94.203","0.002","117.933","0.0018","2092.7","0.5","90","2","90","2","","","","","","","","5","P -1","-P 1","2","Co(B-Et)2","","","- C24 H28 Co N2 O2 -","- C24 H28 Co N2 O2 -","- C96 H112 Co4 N8 O8 -","4","2","","Powers, Xian B.; Ghiassi, Kamran B.; Greenfield, Joshua T.; Olmstead, Marilyn M.; Balch, Alan L.","Interrelationships between the tetrahedral and planar polymorphs of bis(3-ethylamino-1-phenyl-but-2-en-1-ono)nickel(ii) and structural comparisons with related CoII, NiII, CuII, and ZnII complexes","CrystEngComm","2017","","","","","10.1039/C7CE00638A","","","0.71073","MoKα","","0.0798","0.0478","","","0.1093","0.1249","","","","","","1.039","","","","has coordinates","195948","2020-10-21","18:00:00",""
"7228175","7.3939","0.001","12.6055","0.0017","13.2996","0.0018","116.469","0.002","105.648","0.002","93.28","0.002","1045.6","0.2","90","2","90","2","","","","","","","","5","P -1","-P 1","2","Zn(B-Et)2","","","- C24 H28 N2 O2 Zn -","- C24 H28 N2 O2 Zn -","- C48 H56 N4 O4 Zn2 -","2","1","","Powers, Xian B.; Ghiassi, Kamran B.; Greenfield, Joshua T.; Olmstead, Marilyn M.; Balch, Alan L.","Interrelationships between the tetrahedral and planar polymorphs of bis(3-ethylamino-1-phenyl-but-2-en-1-ono)nickel(ii) and structural comparisons with related CoII, NiII, CuII, and ZnII complexes","CrystEngComm","2017","","","","","10.1039/C7CE00638A","","","0.71073","MoKα","","0.0702","0.0452","","","0.1032","0.1188","","","","","","1.038","","","","has coordinates,has disorder","195948","2020-10-21","18:00:00",""
"7228176","9.4162","0.0007","10.2399","0.0008","14.8195","0.0011","90","","106.669","0.001","90","","1368.86","0.18","90","2","90","2","","","","","","","","5","P 1 21 1","P 2yb","4","Cu(B-Bn)2","","","- C34 H32 Cu N2 O2 -","- C34 H32 Cu N2 O2 -","- C68 H64 Cu2 N4 O4 -","2","1","","Powers, Xian B.; Ghiassi, Kamran B.; Greenfield, Joshua T.; Olmstead, Marilyn M.; Balch, Alan L.","Interrelationships between the tetrahedral and planar polymorphs of bis(3-ethylamino-1-phenyl-but-2-en-1-ono)nickel(ii) and structural comparisons with related CoII, NiII, CuII, and ZnII complexes","CrystEngComm","2017","","","","","10.1039/C7CE00638A","","","0.71073","MoKα","","0.039","0.0332","","","0.0718","0.0746","","","","","","1.003","","","","has coordinates","195948","2020-10-21","18:00:00",""
"7228177","15.2491","0.0019","16.231","0.002","5.5977","0.0007","90","","90","","90","","1385.5","0.3","90","2","90","2","","","","","","","","5","P 21 21 2","P 2 2ab","18","alpha-Zn(B-Bn)2","","","- C34 H32 N2 O2 Zn -","- C34 H32 N2 O2 Zn -","- C68 H64 N4 O4 Zn2 -","2","0.5","","Powers, Xian B.; Ghiassi, Kamran B.; Greenfield, Joshua T.; Olmstead, Marilyn M.; Balch, Alan L.","Interrelationships between the tetrahedral and planar polymorphs of bis(3-ethylamino-1-phenyl-but-2-en-1-ono)nickel(ii) and structural comparisons with related CoII, NiII, CuII, and ZnII complexes","CrystEngComm","2017","","","","","10.1039/C7CE00638A","","","0.71073","MoKα","","0.0234","0.0226","","","0.0653","0.0656","","","","","","1.115","","","","has coordinates","195948","2020-10-21","18:00:00",""
"7228178","14.2","0.002","14.2","0.002","17.207","0.003","90","","90","","90","","3469.6","0.9","298","2","298","2","","","","","","","","5","P 43 21 2","P 4nw 2abw","96","","","","- C28 H32 N8 O11 Sr -","- C28 H32 N8 O11 Sr -","- C112 H128 N32 O44 Sr4 -","4","0.5","","Cai, Songliang; He, Zi-Hao; Wu, Wan-Hua; Liu, Fang-Xiu; Huang, Xiao-Ling; Zheng, Shengrun; Fan, Jun; Zhang, Wei-Guang","A series of alkaline earth metal coordination polymers constructed from two newly designed imidazole-based dicarboxylate ligands containing pyridinylmethyl group","CrystEngComm","2017","","","","","10.1039/C7CE00568G","","","0.71073","MoKα","","0.0834","0.0536","","","0.1314","0.1457","","","","","","1.061","","","","has coordinates","195949","2020-10-21","18:00:00",""
"7228179","8.86","0.005","11.293","0.006","12.717","0.006","90","","100.088","0.007","90","","1252.7","1.1","298","2","298","2","","","","","","","","5","P 1 c 1","P -2yc","7","","","","- C22 H20 Ca2 N6 O11 -","- C22 H20 Ca2 N6 O11 -","- C44 H40 Ca4 N12 O22 -","2","1","","Cai, Songliang; He, Zi-Hao; Wu, Wan-Hua; Liu, Fang-Xiu; Huang, Xiao-Ling; Zheng, Shengrun; Fan, Jun; Zhang, Wei-Guang","A series of alkaline earth metal coordination polymers constructed from two newly designed imidazole-based dicarboxylate ligands containing pyridinylmethyl group","CrystEngComm","2017","","","","","10.1039/C7CE00568G","","","0.71073","MoKα","","0.0392","0.0363","","","0.0874","0.0903","","","","","","1.088","","","","has coordinates","195949","2020-10-21","18:00:00",""
"7228180","14.991","0.005","6.826","0.003","25.261","0.009","90","","90","","90","","2584.9","1.7","298","2","298","2","","","","","","","","5","P c a 21","P 2c -2ac","29","","","","- C22 H18 Ca2 N6 O10 -","- C22 H18 Ca2 N6 O10 -","- C88 H72 Ca8 N24 O40 -","4","1","","Cai, Songliang; He, Zi-Hao; Wu, Wan-Hua; Liu, Fang-Xiu; Huang, Xiao-Ling; Zheng, Shengrun; Fan, Jun; Zhang, Wei-Guang","A series of alkaline earth metal coordination polymers constructed from two newly designed imidazole-based dicarboxylate ligands containing pyridinylmethyl group","CrystEngComm","2017","","","","","10.1039/C7CE00568G","","","0.71073","MoKα","","0.1605","0.1244","","","0.2848","0.3064","","","","","","1.089","","","","has coordinates","195949","2020-10-21","18:00:00",""
"7228181","13.996","0.003","7.1157","0.0018","13.539","0.003","90","","112.205","0.004","90","","1248.4","0.5","298","2","298","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C11 H9 Ba N3 O5 -","- C11 H9 Ba N3 O5 -","- C44 H36 Ba4 N12 O20 -","4","1","","Cai, Songliang; He, Zi-Hao; Wu, Wan-Hua; Liu, Fang-Xiu; Huang, Xiao-Ling; Zheng, Shengrun; Fan, Jun; Zhang, Wei-Guang","A series of alkaline earth metal coordination polymers constructed from two newly designed imidazole-based dicarboxylate ligands containing pyridinylmethyl group","CrystEngComm","2017","","","","","10.1039/C7CE00568G","","","0.71073","MoKα","","0.0428","0.0329","","","0.0787","0.0856","","","","","","1.022","","","","has coordinates","195949","2020-10-21","18:00:00",""
"7228182","14.696","0.006","6.854","0.003","13","0.006","90","","112.606","0.007","90","","1208.8","0.9","298","2","298","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C11 H9 N3 O5 Sr -","- C11 H9 N3 O5 Sr -","- C44 H36 N12 O20 Sr4 -","4","1","","Cai, Songliang; He, Zi-Hao; Wu, Wan-Hua; Liu, Fang-Xiu; Huang, Xiao-Ling; Zheng, Shengrun; Fan, Jun; Zhang, Wei-Guang","A series of alkaline earth metal coordination polymers constructed from two newly designed imidazole-based dicarboxylate ligands containing pyridinylmethyl group","CrystEngComm","2017","","","","","10.1039/C7CE00568G","","","0.71073","MoKα","","0.0573","0.0402","","","0.0899","0.0974","","","","","","1.02","","","","has coordinates","195949","2020-10-21","18:00:00",""
"7228183","19.642","0.005","19.642","0.005","49.236","0.015","90","","90","","120","","16451","8","298","2","298","2","","","","","","","","6","R 3 c :H","R 3 -2""c","161","","","","- C66 H78 Mg10 N18 O61 S -","- C66 H78 Mg10 N18 O61.0002 S -","- C396 H468 Mg60 N108 O366.001 S6 -","6","0.333333","","Cai, Songliang; He, Zi-Hao; Wu, Wan-Hua; Liu, Fang-Xiu; Huang, Xiao-Ling; Zheng, Shengrun; Fan, Jun; Zhang, Wei-Guang","A series of alkaline earth metal coordination polymers constructed from two newly designed imidazole-based dicarboxylate ligands containing pyridinylmethyl group","CrystEngComm","2017","","","","","10.1039/C7CE00568G","","","0.71073","MoKα","","0.1893","0.114","","","0.2866","0.3394","","","","","","1.097","","","","has coordinates","195949","2020-10-21","18:00:00",""
"7228184","14.589","0.003","7.0523","0.0016","13.358","0.003","90","","113.582","0.003","90","","1259.6","0.5","298","2","298","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C11 H9 Ba N3 O5 -","- C11 H9 Ba N3 O5 -","- C44 H36 Ba4 N12 O20 -","4","1","","Cai, Songliang; He, Zi-Hao; Wu, Wan-Hua; Liu, Fang-Xiu; Huang, Xiao-Ling; Zheng, Shengrun; Fan, Jun; Zhang, Wei-Guang","A series of alkaline earth metal coordination polymers constructed from two newly designed imidazole-based dicarboxylate ligands containing pyridinylmethyl group","CrystEngComm","2017","","","","","10.1039/C7CE00568G","","","0.71073","MoKα","","0.0505","0.0385","","","0.0935","0.1019","","","","","","1.045","","","","has coordinates","195949","2020-10-21","18:00:00",""
"7228185","12.4443","0.0006","13.9144","0.0007","8.8461","0.0003","90","","97.272","0.003","90","","1519.43","0.12","453","","453","","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C13 H8 Mn N3 O4 S -","- C13 H8 Mn N3 O4 S -","- C52 H32 Mn4 N12 O16 S4 -","4","1","","Matoga, Dariusz; Roztocki, Kornel; Wilke, Manuel; Emmerling, Franziska; Oszajca, Marcin; Fitta, Magdalena; Bałanda, Maria","Crystalline Bilayers Unzipped and Rezipped: Solid-State Reaction Cycle of a Metal-Organic Framework with Triple Rearrangement of Intralayer Bonds","CrystEngComm","2017","","","","","10.1039/C7CE00655A","powder diffraction","x-ray","1.5418","","","0.0847","0.0748","","0.0749","0.0741","","","","4.36","","","","","","","has coordinates","195950","2020-10-21","18:00:00",""
"7228186","10.252","0.003","10.457","0.003","19.169","0.005","77.39","0.05","75.51","0.04","65.29","0.05","1792.3","1.2","80","2","80","2","","","","","","","","7","P -1","-P 1","2","","","","- C40.5 H30 Ag1.5 N2.5 O2 P2 Re -","- C40.5 H30 Ag1.5 N2.5 O2 P2 Re -","- C81 H60 Ag3 N5 O4 P4 Re2 -","2","1","","Krawczyk, Monika K.; Bikas, Rahman; Krawczyk, Marta S.; Lis, Tadeusz","On the Rhenium(I)‒Silver(I) Cyanide Porous Macrocyclic Clusters","CrystEngComm","2017","","","","","10.1039/C7CE00646B","","","0.71073","MoKα","","0.1139","0.0624","","","0.0814","0.0931","","","","","","1.014","","","","has coordinates,has disorder","195951","2020-10-21","18:00:00",""
"7228187","12.864","0.004","14.241","0.004","15.442","0.005","93.85","0.03","107.03","0.03","110.46","0.03","2488.5","1.6","100","2","100","2","","","","","","","","7","P -1","-P 1","2","","","","- C116 H90 Ag2 N4 O4 P6 Re2 -","- C116 H90 Ag2 N4 O4 P6 Re2 -","- C116 H90 Ag2 N4 O4 P6 Re2 -","1","0.5","","Krawczyk, Monika K.; Bikas, Rahman; Krawczyk, Marta S.; Lis, Tadeusz","On the Rhenium(I)‒Silver(I) Cyanide Porous Macrocyclic Clusters","CrystEngComm","2017","","","","","10.1039/C7CE00646B","","","0.71073","MoKα","","0.0838","0.0531","","","0.0706","0.0787","","","","","","1.018","","","","has coordinates","195951","2020-10-21","18:00:00",""
"7228188","12.157","0.003","18.455","0.005","18.44","0.005","78.16","0.03","75.56","0.03","73.82","0.03","3806.6","1.9","100","2","100","2","","","","","","","","7","P -1","-P 1","2","","","","- C168 H140 Ag4 N8 O10 P8 Re4 -","- C168 H140 Ag4 N8 O10 P8 Re4 -","- C168 H140 Ag4 N8 O10 P8 Re4 -","1","0.5","","Krawczyk, Monika K.; Bikas, Rahman; Krawczyk, Marta S.; Lis, Tadeusz","On the Rhenium(I)‒Silver(I) Cyanide Porous Macrocyclic Clusters","CrystEngComm","2017","","","","","10.1039/C7CE00646B","","","0.71073","MoKα","","0.184","0.0861","","","0.137","0.177","","","","","","0.925","","","","has coordinates,has disorder","195951","2020-10-21","18:00:00",""
"7228189","12.224","0.002","18.438","0.005","35.881","0.009","83.4","0.03","89.05","0.03","71.89","0.03","7634","3","100","2","100","2","","","","","","","","7","P -1","-P 1","2","","","","- C164 H128 Ag4 N10 O9 P8 Re4 -","- C164 H126 Ag4 N10 O9 P8 Re4 -","- C328 H252 Ag8 N20 O18 P16 Re8 -","2","1","","Krawczyk, Monika K.; Bikas, Rahman; Krawczyk, Marta S.; Lis, Tadeusz","On the Rhenium(I)‒Silver(I) Cyanide Porous Macrocyclic Clusters","CrystEngComm","2017","","","","","10.1039/C7CE00646B","","","0.71073","MoKα","","0.0676","0.0478","","","0.1201","0.1263","","","","","","1.069","","","","has coordinates,has disorder","195951","2020-10-21","18:00:00",""
"7228190","12.252","0.003","18.571","0.005","35.873","0.01","83.68","0.03","88.96","0.03","72.12","0.03","7720","4","100","2","100","2","","","","","","","","7","P -1","-P 1","2","","","","- C165 H141.5 Ag4 N8 O13.75 P8 Re4 -","- C165 H141.5 Ag4 N8 O13.75 P8 Re4 -","- C330 H283 Ag8 N16 O27.5 P16 Re8 -","2","1","","Krawczyk, Monika K.; Bikas, Rahman; Krawczyk, Marta S.; Lis, Tadeusz","On the Rhenium(I)‒Silver(I) Cyanide Porous Macrocyclic Clusters","CrystEngComm","2017","","","","","10.1039/C7CE00646B","","","0.71073","MoKα","","0.0465","0.0402","","","0.099","0.1046","","","","","","0.97","","","","has coordinates,has disorder","195951","2020-10-21","18:00:00",""
"7228191","12.275","0.002","18.433","0.005","36.135","0.009","82.79","0.03","88.71","0.03","72.06","0.03","7716","3","80","2","80","2","","","","","","","","7","P -1","-P 1","2","","","","- C169 H138 Ag4 N8 O11 P8 Re4 -","- C169 H138 Ag4 N8 O11 P8 Re4 -","- C338 H276 Ag8 N16 O22 P16 Re8 -","2","1","","Krawczyk, Monika K.; Bikas, Rahman; Krawczyk, Marta S.; Lis, Tadeusz","On the Rhenium(I)‒Silver(I) Cyanide Porous Macrocyclic Clusters","CrystEngComm","2017","","","","","10.1039/C7CE00646B","","","0.71073","MoKα","","0.2192","0.0925","","","0.1054","0.1376","","","","","","0.918","","","","has coordinates","195951","2020-10-21","18:00:00",""
"7228192","12.282","0.002","18.475","0.004","35.979","0.008","83.56","0.03","89.19","0.03","72.42","0.03","7732","3","100","2","100","2","","","","","","","","7","P -1","-P 1","2","","","","- C170 H150 Ag4 N8 O13 P8 Re4 -","- C170 H150 Ag4 N8 O13 P8 Re4 -","- C340 H300 Ag8 N16 O26 P16 Re8 -","2","1","","Krawczyk, Monika K.; Bikas, Rahman; Krawczyk, Marta S.; Lis, Tadeusz","On the Rhenium(I)‒Silver(I) Cyanide Porous Macrocyclic Clusters","CrystEngComm","2017","","","","","10.1039/C7CE00646B","","","0.71073","MoKα","","0.0409","0.0347","","","0.0914","0.0942","","","","","","0.907","","","","has coordinates,has disorder","195951","2020-10-21","18:00:00",""
"7228195","15.9289","0.0013","11.4741","0.0009","21.5944","0.0018","90","","102.398","0.002","90","","3854.8","0.5","298","2","298","2","","","","","","","","5","P 1 2/n 1","-P 2yac","13","","","","- C37 H58 N Na O6 -","- C37 H58 N Na O6 -","- C148 H232 N4 Na4 O24 -","4","1","","Wu, Bing-Bing; Tian, Lu-Lu; Wang, Zhong-Xia","Ring-opening polymerization of rac-lactide catalyzed by crown ether complexes of sodium and potassium iminophenoxides","RSC Adv.","2017","7","39","24055","","10.1039/C7RA03394J","","","0.71073","MoKα","","0.1527","0.0492","","","0.0526","0.0597","","","","","","1.052","","","","has coordinates","196227","2020-10-21","18:00:00",""
"7228196","24.817","0.002","17.298","0.0015","17.5045","0.0016","90","","133.796","0.003","90","","5424","0.9","298","2","298","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C25 H34 K N O7 -","- C25 H34 K N O7 -","- C200 H272 K8 N8 O56 -","8","1","","Wu, Bing-Bing; Tian, Lu-Lu; Wang, Zhong-Xia","Ring-opening polymerization of rac-lactide catalyzed by crown ether complexes of sodium and potassium iminophenoxides","RSC Adv.","2017","7","39","24055","","10.1039/C7RA03394J","","","0.71073","MoKα","","0.1586","0.0715","","","0.1323","0.1517","","","","","","1.011","","","","has coordinates","206489","2020-10-21","18:00:00",""
"7228197","6.1779","0.0012","18.26","0.004","18.962","0.004","77.28","0.03","84.37","0.03","81.29","0.03","2057.9","0.8","150","2","150","2","","","","","","","","3","P -1","-P 1","2","","2,4,6-Tri-(4-tert-butylphenyl)-1,3,5-tri-(5-pyrimidyl)benzene","","- C48 H48 N6 -","- C48 H48 N6 -","- C96 H96 N12 -","2","1","","Wijesinghe, Lankani P.; Perera, Sarath D.; Larkin, Eugene; Ó Máille, Gearóid M.; Conway-Kenny, Robert; Lankage, Buddhie S.; Wang, Longsheng; Draper, Sylvia M.","[2 + 2 + 2] cyclotrimerisation as a convenient route to 6N-doped nanographenes: a synthetic introduction to hexaazasuperbenzenes","RSC Adv.","2017","7","39","24163","","10.1039/C7RA02648J","","","0.71073","MoKα","","0.089","0.0504","","","0.1182","0.1346","","","","","","1.005","","","","has coordinates","196228","2020-10-21","18:00:00",""
"7228198","8.0248","0.0007","12.175","0.0012","10.5501","0.0012","90","","100.48","0.009","90","","1013.57","0.18","293","2","293","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C11 H10 N O -","- C12 H11 N O2 -","- C48 H44 N4 O8 -","4","1","","Zhao, Hai-Yuan; Wang, Ying-chun; Cao, Xiao-Lin; Pang, Qiu-Fang; Wang, Heng-shan; Pan, Ying-ming","Synthesis of fused tricyclic indolizines by intramolecular silver-mediated double cyclization of 2-(pyridin-2-yl)acetic acid propargyl esters","RSC Adv.","2017","7","39","24011","","10.1039/C7RA00892A","","x-ray","0.71073","MoKα","","0.0516","0.0436","","","0.108","0.1156","","","","","","1.078","","","","has coordinates","196229","2020-10-21","18:00:00",""
"7228199","11.3346","0.0004","8.7794","0.0003","12.0991","0.0004","90","","106.683","0.004","90","","1153.31","0.07","260","2","260","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","N-methylpyrrolidinium hydrogen tartrate (NMPHT)","","","- C9 H17 N O6 -","- C9 H17 N O6 -","- C36 H68 N4 O24 -","4","1","","Zeb, Aurang; Khan, Tariq; Asghar, Muhammad Adnan; Sun, Zhihua; Wu, Zhenyue; Zhao, Sangen; Luo, Junhua","N-Methylpyrrolidinium hydrogen tartrate (NMPHT): an above-room-temperature order‒disorder molecular switchable dielectric material","RSC Adv.","2017","7","39","24368","","10.1039/C7RA00689F","","","1.54184","CuKα","","0.09","0.0802","","","0.229","0.2435","","","","","","1.073","","","","has coordinates","196231","2020-10-21","18:00:00",""
"7228200","11.7014","0.0005","8.7644","0.0003","12.0457","0.0003","90","","107.298","0.004","90","","1179.48","0.08","330","2","330","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","N-methylpyrrolidinium hydrogen tartrate (NMPHT)","","","- C9 H17 N O6 -","- C9 H17 N O6 -","- C36 H68 N4 O24 -","4","0.5","","Zeb, Aurang; Khan, Tariq; Asghar, Muhammad Adnan; Sun, Zhihua; Wu, Zhenyue; Zhao, Sangen; Luo, Junhua","N-Methylpyrrolidinium hydrogen tartrate (NMPHT): an above-room-temperature order‒disorder molecular switchable dielectric material","RSC Adv.","2017","7","39","24368","","10.1039/C7RA00689F","","","1.54184","CuKα","","0.0876","0.0764","","","0.2343","0.2587","","","","","","1.045","","","","has coordinates","196231","2020-10-21","18:00:00",""
"7228201","10.326","0.003","5.8596","0.0015","17.227","0.004","90","","97.085","0.004","90","","1034.4","0.5","215","2","215","2","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","","","- C11 H14 O6 -","- C11 H14 O6 -","- C44 H56 O24 -","4","1","","Amarasekara, Ananda S.; Ha, Uyen; Fonari, Marina S.; Bejagam, Shabari Nath; Margetić, Davor","Sulfuric acid and Amberlyst-H+ catalyzed condensation reactions of renewable keto acids with paraformaldehyde: synthesis of a new dispiro bis-lactone ring system 2,9,13-trioxadispiro[4.1.4.3]tetradecane-3,6,10-trione","RSC Adv.","2017","7","39","23917","","10.1039/C7RA02303K","","","0.71073","MoKα","","0.0825","0.051","","","0.1095","0.1229","","","","","","1.045","","","","has coordinates,has disorder","196232","2020-10-21","18:00:00",""
"7228202","9.7305","0.0002","8.76406","0.00016","11.0765","0.0002","90","","109.45","0.002","90","","890.68","0.03","173","0.1","173","0.1","","","","","","","","4","P 1 21 1","P 2yb","4","234","123","","- C22 H28 N2 O3 -","- C22 H26 N2 O3 -","- C44 H52 N4 O6 -","2","1","","Chen, Neng-Hua; Zhang, Yu-Bo; Li, Wen; Li, Pan; Chen, Li-Feng; Li, Yao-Lan; Li, Guo-Qiang; Wang, Guo-Cai","Grandiflodines A and B, two novel diterpenoid alkaloids from Delphinium grandiflorum","RSC Adv.","2017","7","39","24129","","10.1039/C7RA02869E","","x-ray","1.54184","CuKα","","0.03","0.0297","","","0.0837","0.084","","","","","","1.111","","","","has coordinates","196233","2020-10-21","18:00:00",""
"7228203","13.946","0.003","14.296","0.003","26.749","0.005","81.29","0.03","77.99","0.03","81.78","0.03","5121.7","1.9","173","2","173","2","","","","","","","","9","P -1","-P 1","2","","","","- C113 H106 B Cl2 Cu3 F4 N4 O4 P6 -","- C113 H106 B Cl2 Cu3 F4 N4 O4 P6 -","- C226 H212 B2 Cl4 Cu6 F8 N8 O8 P12 -","2","1","","Zhou, Yu-Peng; Wei, Zhang-Wen; Lin, Zhuo-Jia; Ling, Hui-Tao; Guo, Zhengang; Zhang, Mei; Lam, Chi-Keung; Ye, Bao-Hui; Chao, Hsiu-Yi","Diverse binding of important anions in 1-D tricopper anion coordination polymer (ACP) architectures","CrystEngComm","2017","19","17","2349","","10.1039/C7CE00087A","","","0.71073","MoKα","","0.0558","0.0386","","","0.1029","0.1147","","","","","","1.014","","","","has coordinates","196235","2020-10-21","18:00:00",""
"7228204","19.431","0.004","20.455","0.004","25.426","0.005","90","","91.9","0.03","90","","10100","3","110","2","110","2","","","","","","","","7","P 1 2/c 1","-P 2yc","13","","","","- C109 H98 Cu3 F N4 O3 P6 -","- C109 H98 Cu3 F N4 O3 P6 -","- C436 H392 Cu12 F4 N16 O12 P24 -","4","1","","Zhou, Yu-Peng; Wei, Zhang-Wen; Lin, Zhuo-Jia; Ling, Hui-Tao; Guo, Zhengang; Zhang, Mei; Lam, Chi-Keung; Ye, Bao-Hui; Chao, Hsiu-Yi","Diverse binding of important anions in 1-D tricopper anion coordination polymer (ACP) architectures","CrystEngComm","2017","19","17","2349","","10.1039/C7CE00087A","","","0.71073","MoKα","","0.0916","0.0519","","","0.1371","0.1536","","","","","","1.05","","","","has coordinates","196235","2020-10-21","18:00:00",""
"7228205","27.9483","0.0003","21.5782","0.0002","36.4721","0.0004","90","","90","","90","","21995.4","0.4","173","2","173","2","","","","","","","","6","P c c a","-P 2a 2ac","54","","","","- C113 H104 Cu3 N5 O5 P6 -","- C113 H104 Cu3 N5 O5 P6 -","- C904 H832 Cu24 N40 O40 P48 -","8","1","","Zhou, Yu-Peng; Wei, Zhang-Wen; Lin, Zhuo-Jia; Ling, Hui-Tao; Guo, Zhengang; Zhang, Mei; Lam, Chi-Keung; Ye, Bao-Hui; Chao, Hsiu-Yi","Diverse binding of important anions in 1-D tricopper anion coordination polymer (ACP) architectures","CrystEngComm","2017","19","17","2349","","10.1039/C7CE00087A","","","1.54178","CuKα","","0.0551","0.0464","","","0.1171","0.1247","","","","","","1.036","","","","has coordinates,has disorder","196235","2020-10-21","18:00:00",""
"7228206","20.044","0.004","26.268","0.005","20.139","0.004","90","","96.56","0.03","90","","10534","4","110","2","110","2","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C107 H86 Cu3 F7 N4 O2 P6 -","- C107 H86 Cu3 F7 N4 O2 P6 -","- C428 H344 Cu12 F28 N16 O8 P24 -","4","1","","Zhou, Yu-Peng; Wei, Zhang-Wen; Lin, Zhuo-Jia; Ling, Hui-Tao; Guo, Zhengang; Zhang, Mei; Lam, Chi-Keung; Ye, Bao-Hui; Chao, Hsiu-Yi","Diverse binding of important anions in 1-D tricopper anion coordination polymer (ACP) architectures","CrystEngComm","2017","19","17","2349","","10.1039/C7CE00087A","","","0.71073","MoKα","","0.1597","0.0725","","","0.1813","0.2115","","","","","","1.015","","","","has coordinates,has disorder","196235","2020-10-21","18:00:00",""
"7228207","17.551","0.004","30.505","0.006","19.142","0.004","90","","94.84","0.03","90","","10212","4","150","2","150","2","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C105 H86 Cu3 F N6 O6 P6 -","- C105 H86 Cu3 F N6 O6 P6 -","- C420 H344 Cu12 F4 N24 O24 P24 -","4","1","","Zhou, Yu-Peng; Wei, Zhang-Wen; Lin, Zhuo-Jia; Ling, Hui-Tao; Guo, Zhengang; Zhang, Mei; Lam, Chi-Keung; Ye, Bao-Hui; Chao, Hsiu-Yi","Diverse binding of important anions in 1-D tricopper anion coordination polymer (ACP) architectures","CrystEngComm","2017","19","17","2349","","10.1039/C7CE00087A","","","0.71073","MoKα","","0.0965","0.0514","","","0.1195","0.1453","","","","","","1.008","","","","has coordinates","196235","2020-10-21","18:00:00",""
"7228208","47.4995","0.0014","15.3047","0.0004","29.9249","0.0009","90","","107.656","0.001","90","","20729.6","1","150","2","150","2","","","","","","","","8","C 1 2/c 1","-C 2yc","15","","","","- C107 H92 B0.5 Cu3 F3 N4 O4 P6 -","- C107 H92 B0.5 Cu3 F3 N4 O4 P6 -","- C856 H736 B4 Cu24 F24 N32 O32 P48 -","8","1","","Zhou, Yu-Peng; Wei, Zhang-Wen; Lin, Zhuo-Jia; Ling, Hui-Tao; Guo, Zhengang; Zhang, Mei; Lam, Chi-Keung; Ye, Bao-Hui; Chao, Hsiu-Yi","Diverse binding of important anions in 1-D tricopper anion coordination polymer (ACP) architectures","CrystEngComm","2017","19","17","2349","","10.1039/C7CE00087A","","","0.71073","MoKα","","0.0944","0.0613","","","0.1719","0.1883","","","","","","1.061","","","","has coordinates,has disorder","196235","2020-10-21","18:00:00",""
"7228209","13.861","0.003","33.095","0.007","22.888","0.005","90","","107.6","0.03","90","","10008","4","173","2","173","2","","","","","","","","8","P 1 21/n 1","-P 2yn","14","","","","- C113 H104 B Cu3 F4 N4 O2 P6 -","- C113 H104 B Cu3 F4 N4 O2 P6 -","- C452 H416 B4 Cu12 F16 N16 O8 P24 -","4","1","","Zhou, Yu-Peng; Wei, Zhang-Wen; Lin, Zhuo-Jia; Ling, Hui-Tao; Guo, Zhengang; Zhang, Mei; Lam, Chi-Keung; Ye, Bao-Hui; Chao, Hsiu-Yi","Diverse binding of important anions in 1-D tricopper anion coordination polymer (ACP) architectures","CrystEngComm","2017","19","17","2349","","10.1039/C7CE00087A","","","0.71073","MoKα","","0.1188","0.0559","","","0.1238","0.1519","","","","","","1.015","","","","has coordinates","196235","2020-10-21","18:00:00",""
"7228210","14.71","0.003","21.288","0.004","19.399","0.004","90","","110.49","0.03","90","","5690","2","173","2","173","2","","","","","","","","7","P 1 21/m 1","-P 2yb","11","","","","- C113 H104 Cu3 F N4 O2 P6 -","- C114 H104 Cu3 F N4 O2 P6 -","- C228 H208 Cu6 F2 N8 O4 P12 -","2","0.5","","Zhou, Yu-Peng; Wei, Zhang-Wen; Lin, Zhuo-Jia; Ling, Hui-Tao; Guo, Zhengang; Zhang, Mei; Lam, Chi-Keung; Ye, Bao-Hui; Chao, Hsiu-Yi","Diverse binding of important anions in 1-D tricopper anion coordination polymer (ACP) architectures","CrystEngComm","2017","19","17","2349","","10.1039/C7CE00087A","","","0.71073","MoKα","","0.0843","0.0649","","","0.205","0.2199","","","","","","1.208","","","","has coordinates,has disorder","196235","2020-10-21","18:00:00",""
"7228211","21.838","0.003","21.838","0.003","14.721","0.003","90","","90","","90","","7020","2","100","2","100","","","","","","","","","5","P 43 21 2","P 4nw 2abw","96","","","","- C30 H22 Cd N4 O9 -","- C30 H22 Cd N4 O9 -","- C240 H176 Cd8 N32 O72 -","8","1","","Boer, Stephanie A.; Turner, David R.","A robust metallomacrocyclic motif for the formation interpenetrated coordination polymers","CrystEngComm","2017","19","17","2402","","10.1039/C7CE00498B","","","0.7108","Synchrotron","","0.0239","0.0235","","","0.0622","0.0624","","","","","","1.105","","","","has coordinates","196237","2020-10-21","18:00:00",""
"7228212","9.166","0.0018","21.819","0.004","11.505","0.002","90","","96.39","0.03","90","","2286.6","0.7","100","","100","","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C52 H36 Mn N6 O16 -","- C52 H36 Mn N6 O16 -","- C104 H72 Mn2 N12 O32 -","2","1","","Boer, Stephanie A.; Turner, David R.","A robust metallomacrocyclic motif for the formation interpenetrated coordination polymers","CrystEngComm","2017","19","17","2402","","10.1039/C7CE00498B","","","0.7108","Synchrotron","","0.0574","0.0481","","","0.1165","0.1219","","","","","","1.046","","","","has coordinates","196237","2020-10-21","18:00:00",""
"7228213","11.947","0.002","13.534","0.003","14.618","0.003","81.85","0.03","66.46","0.03","89.84","0.03","2141.2","0.9","100","","100","","","","","","","","","5","P 1","P 1","1","","","","- C91 H60 Cd2 N13 O28 -","- C91 H60 Cd2 N13 O28 -","- C91 H60 Cd2 N13 O28 -","1","1","","Boer, Stephanie A.; Turner, David R.","A robust metallomacrocyclic motif for the formation interpenetrated coordination polymers","CrystEngComm","2017","19","17","2402","","10.1039/C7CE00498B","","","0.7108","Synchrotron","","0.11","0.09","","","0.2242","0.2444","","","","","","1.051","","","","has coordinates","196237","2020-10-21","18:00:00",""
"7228214","18.324","0.004","23.774","0.005","14.04","0.003","90","","90","","90","","6116","2","100","","100","","","","","","","","","5","P 21 21 2","P 2 2ab","18","","","","- C105 H95 Mn4 N15 O39 -","- C105 H95 Mn4 N15 O39 -","- C210 H190 Mn8 N30 O78 -","2","0.5","","Boer, Stephanie A.; Turner, David R.","A robust metallomacrocyclic motif for the formation interpenetrated coordination polymers","CrystEngComm","2017","19","17","2402","","10.1039/C7CE00498B","","","0.7108","Synchrotron","","0.0653","0.0581","","","0.1671","0.1768","","","","","","1.044","","","","has coordinates,has disorder","196237","2020-10-21","18:00:00",""
"7228215","8.302","0.0017","14.375","0.003","17.195","0.003","66.8","0.03","88.82","0.03","78.25","0.03","1842.6","0.8","100","","100","","","","","","","","","5","P 1","P 1","1","","","","- C73 H69 Cd2 N11 O29 -","- C73 H69 Cd2 N11 O29 -","- C73 H69 Cd2 N11 O29 -","1","1","","Boer, Stephanie A.; Turner, David R.","A robust metallomacrocyclic motif for the formation interpenetrated coordination polymers","CrystEngComm","2017","19","17","2402","","10.1039/C7CE00498B","","","0.7108","Synchrotron","","0.0427","0.0419","","","0.1157","0.1165","","","","","","1.093","","","","has coordinates","196237","2020-10-21","18:00:00",""
"7228216","17.345","0.004","22.362","0.005","13.817","0.003","90","","90","","90","","5359","2","100","","100","","","","","","","","","5","P 21 21 2","P 2 2ab","18","","","","- C60.3 H42.3 N8 O17 Zn2 -","- C60.3 H42.3 N8 O17 Zn2 -","- C241.2 H169.2 N32 O68 Zn8 -","4","1","","Boer, Stephanie A.; Turner, David R.","A robust metallomacrocyclic motif for the formation interpenetrated coordination polymers","CrystEngComm","2017","19","17","2402","","10.1039/C7CE00498B","","","0.7108","Synchrotron","","0.0656","0.0617","","","0.175","0.1795","","","","","","1.041","","","","has coordinates,has disorder","196237","2020-10-21","18:00:00",""
"7228217","18.674","0.004","23.894","0.005","14.086","0.003","90","","90","","90","","6285","2","100","2","100","","","","","","","","","5","P 21 21 2","P 2 2ab","18","","","","- C102 H88 Cd4 N14 O38 -","- C102 H88 Cd4 N14 O38 -","- C204 H176 Cd8 N28 O76 -","2","0.5","","Boer, Stephanie A.; Turner, David R.","A robust metallomacrocyclic motif for the formation interpenetrated coordination polymers","CrystEngComm","2017","19","17","2402","","10.1039/C7CE00498B","","","0.7108","Synchrotron","","0.0499","0.0417","","","0.1112","0.1167","","","","","","1.035","","","","has coordinates,has disorder","196237","2020-10-21","18:00:00",""
"7228218","16.984","0.002","16.984","0.002","21.78","0.004","90","","90","","90","","6282.6","1.6","100","","100","","","","","","","","","5","P 42","P 4c","77","","","","- C59 H55 Cd2 N9 O20 -","- C59 H55 Cd2 N9 O20 -","- C236 H220 Cd8 N36 O80 -","4","1","","Boer, Stephanie A.; Turner, David R.","A robust metallomacrocyclic motif for the formation interpenetrated coordination polymers","CrystEngComm","2017","19","17","2402","","10.1039/C7CE00498B","","","0.7108","Synchrotron","","0.1415","0.0883","","","0.261","0.3085","","","","","","1.048","","","","has coordinates,has disorder","196237","2020-10-21","18:00:00",""
"7228219","15.369","0.003","17.967","0.004","18.47","0.004","90","","107.96","0.03","90","","4852","2","100","","100","","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C88 H48 Cd2 N12 O24 -","- C88 H48 Cd2 N12 O24 -","- C176 H96 Cd4 N24 O48 -","2","1","","Boer, Stephanie A.; Turner, David R.","A robust metallomacrocyclic motif for the formation interpenetrated coordination polymers","CrystEngComm","2017","19","17","2402","","10.1039/C7CE00498B","","","0.7108","Synchrotron","","0.0552","0.0488","","","0.1355","0.1402","","","","","","1.062","","","","has coordinates","196237","2020-10-21","18:00:00",""
"7228220","6.468","0.0013","7.7544","0.0016","8.6026","0.0017","97.267","0.017","109.253","0.018","96.531","0.017","398.46","0.15","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","","","- C18 H20 N2 Ni O4 -","- C18 H20 N2 Ni O4 -","- C18 H20 N2 Ni O4 -","1","0.5","","Carter, Damien J.; Raiteri, Paolo; Barnard, Keith R.; Gielink, Rhian; Mocerino, Mauro; Skelton, Brian W.; Vaughan, Jamila G.; Ogden, Mark I.; Rohl, Andrew L.","Difference Hirshfeld fingerprint plots: a tool for studying polymorphs","CrystEngComm","2017","19","16","2207","","10.1039/C6CE02535H","","","0.71073","MoKα","","0.0572","0.0401","","","0.0809","0.0841","","","","","","0.941","","","","has coordinates","196238","2020-10-21","18:00:00",""
"7228221","6.2433","0.0004","8.0884","0.0006","8.6219","0.0007","71.541","0.007","79.573","0.006","85.986","0.006","406.13","0.05","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","","","- C18 H20 Cu N2 O4 -","- C18 H20 Cu N2 O4 -","- C18 H20 Cu N2 O4 -","1","0.5","","Carter, Damien J.; Raiteri, Paolo; Barnard, Keith R.; Gielink, Rhian; Mocerino, Mauro; Skelton, Brian W.; Vaughan, Jamila G.; Ogden, Mark I.; Rohl, Andrew L.","Difference Hirshfeld fingerprint plots: a tool for studying polymorphs","CrystEngComm","2017","19","16","2207","","10.1039/C6CE02535H","","","0.71073","MoKα","","0.0475","0.0412","","","0.0935","0.0985","","","","","","1.067","","","","has coordinates","196238","2020-10-21","18:00:00",""
"7228222","10.8252","0.001","7.7396","0.0003","15.366","0.0006","90","","95.439","0.005","90","","1281.61","0.14","100","2","100","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C22 H30 N4 Ni O10 S2 -","- C22 H30 N4 Ni O10 S2 -","- C44 H60 N8 Ni2 O20 S4 -","2","0.5","","Carter, Damien J.; Raiteri, Paolo; Barnard, Keith R.; Gielink, Rhian; Mocerino, Mauro; Skelton, Brian W.; Vaughan, Jamila G.; Ogden, Mark I.; Rohl, Andrew L.","Difference Hirshfeld fingerprint plots: a tool for studying polymorphs","CrystEngComm","2017","19","16","2207","","10.1039/C6CE02535H","","","0.71073","MoKα","","0.038","0.0323","","","0.0827","0.087","","","","","","1.062","","","","has coordinates","196238","2020-10-21","18:00:00",""
"7228223","6.2388","0.0002","8.1434","0.0002","8.6344","0.0003","71.421","0.003","79.6","0.003","85.781","0.002","408.92","0.02","150","2","150","2","","","","","","","","5","P -1","-P 1","2","","","","- C18 H20 Cu N2 O4 -","- C18 H20 Cu N2 O4 -","- C18 H20 Cu N2 O4 -","1","0.5","","Carter, Damien J.; Raiteri, Paolo; Barnard, Keith R.; Gielink, Rhian; Mocerino, Mauro; Skelton, Brian W.; Vaughan, Jamila G.; Ogden, Mark I.; Rohl, Andrew L.","Difference Hirshfeld fingerprint plots: a tool for studying polymorphs","CrystEngComm","2017","19","16","2207","","10.1039/C6CE02535H","","","0.71073","MoKα","","0.0363","0.0324","","","0.0841","0.0865","","","","","","1.065","","","","has coordinates","196238","2020-10-21","18:00:00",""
"7228224","24.3213","0.0008","6.2222","0.0003","16.8774","0.0008","90","","93.894","0.004","90","","2548.19","0.19","299","2","299","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C26 H37 N O3 -","- C26 H37 N O3 -","- C104 H148 N4 O12 -","4","1","","Konieczny, Krzysztof; Bakowicz, Julia; Galica, Tomasz; Siedlecka, Renata; Turowska-Tyrk, Ilona","The reasons for the photochemical behaviour of propylamine 4-(2,4,6-triisopropylbenzoyl)benzoate during the Norrish-Yang reaction","CrystEngComm","2017","","","","","10.1039/C7CE00558J","","","0.71073","MoKα","","0.1106","0.0638","","","0.1479","0.1716","","","","","","1.018","","","","has coordinates,has disorder","196549","2020-10-21","18:00:00",""
"7228225","24.2843","0.0007","6.21701","0.00019","16.8622","0.0006","90","","93.924","0.003","90","","2539.81","0.14","299","2","299","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C26 H37 N O3 -","- C26 H37 N O3 -","- C104 H148 N4 O12 -","4","1","","Konieczny, Krzysztof; Bakowicz, Julia; Galica, Tomasz; Siedlecka, Renata; Turowska-Tyrk, Ilona","The reasons for the photochemical behaviour of propylamine 4-(2,4,6-triisopropylbenzoyl)benzoate during the Norrish-Yang reaction","CrystEngComm","2017","","","","","10.1039/C7CE00558J","","","0.71073","MoKα","","0.1042","0.0641","","","0.1465","0.1685","","","","","","1.04","","","","has coordinates,has disorder","196549","2020-10-21","18:00:00",""
"7228226","24.3127","0.0008","6.2174","0.0002","16.856","0.0006","90","","93.778","0.003","90","","2542.45","0.15","299","2","299","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C26 H37 N O3 -","- C26 H36.926 N O3 -","- C104 H147.704 N4 O12 -","4","1","","Konieczny, Krzysztof; Bakowicz, Julia; Galica, Tomasz; Siedlecka, Renata; Turowska-Tyrk, Ilona","The reasons for the photochemical behaviour of propylamine 4-(2,4,6-triisopropylbenzoyl)benzoate during the Norrish-Yang reaction","CrystEngComm","2017","","","","","10.1039/C7CE00558J","","","0.71073","MoKα","","0.0961","0.0593","","","0.1374","0.156","","","","","","1.048","","","","has coordinates,has disorder","196549","2020-10-21","18:00:00",""
"7228227","23.695","0.008","6","0.009","16.575","0.003","90","","95.5","0.02","90","","2346","4","299","2","299","2","1000000","","1000000","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C26 H37 N O3 -","- C26 H37 N O3 -","- C104 H148 N4 O12 -","4","1","","Konieczny, Krzysztof; Bakowicz, Julia; Galica, Tomasz; Siedlecka, Renata; Turowska-Tyrk, Ilona","The reasons for the photochemical behaviour of propylamine 4-(2,4,6-triisopropylbenzoyl)benzoate during the Norrish-Yang reaction","CrystEngComm","2017","","","","","10.1039/C7CE00558J","","","0.71073","MoKα","","0.2913","0.1252","","","0.3171","0.4152","","","","","","1.025","","","","has coordinates","196549","2020-10-21","18:00:00",""
"7228228","24.429","0.002","6.194","0.0006","16.7949","0.0019","90","","93.294","0.009","90","","2537.1","0.4","299","2","299","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C26 H37 N O3 -","- C26 H36.699 N O3 -","- C104 H146.796 N4 O12 -","4","1","","Konieczny, Krzysztof; Bakowicz, Julia; Galica, Tomasz; Siedlecka, Renata; Turowska-Tyrk, Ilona","The reasons for the photochemical behaviour of propylamine 4-(2,4,6-triisopropylbenzoyl)benzoate during the Norrish-Yang reaction","CrystEngComm","2017","","","","","10.1039/C7CE00558J","","","0.71073","MoKα","","0.1899","0.112","","","0.2751","0.3196","","","","","","1.126","","","","has coordinates,has disorder","196549","2020-10-21","18:00:00",""
"7228229","7.1752","0.0011","13.714","0.002","12.346","0.002","90","","91.918","0.005","90","","1214.2","0.3","296","2","296","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","(Z)-2-(aminomethylene)-3-oxo-N-(4-(trifluoromethyl)phenyl)butanamide","(2Z)-2-(aminomethylidene)-3-oxo-N-[4-(trifluoromethyl)phenyl]butanamide","","- C12 H11 F3 N2 O2 -","- C12 H11 F3 N2 O2 -","- C48 H44 F12 N8 O8 -","4","1","","Subramaniam, Palaniraja; Ramasubbu, Chandrasekaran; Athiramu, Selvaraj","Exploiting Intramolecular Hydrogen Bond for Highly (Z)-Selective & Metal Free Synthesis of Amide Substituted β-aminoenones","Green Chem.","2017","","","","","10.1039/C7GC00909G","","","0.71073","MoKα","","0.1254","0.0693","","","0.1557","0.1866","","","","","","1.031","","","","has coordinates","196551","2020-10-21","18:00:00",""
"7228230","8.8907","0.0014","21.265","0.0003","14.955","0.0002","90","","90.876","0.0005","90","","2827.1","0.4","93","","93","","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C33 H24 Ag B F4 N2 O2.5 -","- C33 H24 Ag B F4 N2 O2.5 -","- C132 H96 Ag4 B4 F16 N8 O10 -","4","1","","Fukushima, Misaki; Kikkawa, Shoko; hikawa, hidemasa; Azumaya, Isao","Synthesis and Solvent Vapor Induced Transformations of Crystals of 1D Coordination Polymer Assembled with Continuous Void Space","CrystEngComm","2017","","","","","10.1039/C7CE00640C","","","0.71075","MoKα","","0.0813","0.0447","","","0.0867","0.102","","","","","","1.055","","","","has coordinates","196565","2020-10-21","18:00:00",""
"7228231","24.235","0.008","5.8077","0.001","16.177","0.005","90","","131.062","0.007","90","","1716.8","0.9","93","","93","","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C8 H4 Ag F3 N O2 -","- C8 H4 Ag F3 N O2 -","- C64 H32 Ag8 F24 N8 O16 -","8","1","","Fukushima, Misaki; Kikkawa, Shoko; hikawa, hidemasa; Azumaya, Isao","Synthesis and Solvent Vapor Induced Transformations of Crystals of 1D Coordination Polymer Assembled with Continuous Void Space","CrystEngComm","2017","","","","","10.1039/C7CE00640C","","","0.71075","MoKα","","0.0169","0.0154","","","0.0421","0.0424","","","","","","1.08","","","","has coordinates","196565","2020-10-21","18:00:00",""
"7228232","16.4929","0.0016","12.677","0.0011","11.4596","0.001","90","","90","","90","","2396","0.4","93","","93","","","","","","","","","7","P 21 21 2","P 2 2ab","18","","","","- C27 H18 Ag B Cl2 F4 N2 -","- C27 H18 Ag B Cl2 F4 N2 -","- C108 H72 Ag4 B4 Cl8 F16 N8 -","4","1","","Fukushima, Misaki; Kikkawa, Shoko; hikawa, hidemasa; Azumaya, Isao","Synthesis and Solvent Vapor Induced Transformations of Crystals of 1D Coordination Polymer Assembled with Continuous Void Space","CrystEngComm","2017","","","","","10.1039/C7CE00640C","","","0.71075","MoKα","","0.0191","0.0183","","","0.05","0.0504","","","","","","1.035","","","","has coordinates,has disorder","196565","2020-10-21","18:00:00",""
"7228233","18.5169","0.0019","14.165","0.0015","11.4339","0.0011","90","","90","","90","","2999","0.5","93","","93","","","","","","","","","6","P n a 21","P 2c -2n","33","","","","- C34 H32 Ag Cl N2 O6 -","- C34 H32 Ag Cl N2 O6 -","- C136 H128 Ag4 Cl4 N8 O24 -","4","1","","Fukushima, Misaki; Kikkawa, Shoko; hikawa, hidemasa; Azumaya, Isao","Synthesis and Solvent Vapor Induced Transformations of Crystals of 1D Coordination Polymer Assembled with Continuous Void Space","CrystEngComm","2017","","","","","10.1039/C7CE00640C","","","0.71075","MoKα","","0.0713","0.0461","","","0.0832","0.0906","","","","","","1.066","","","","has coordinates","196565","2020-10-21","18:00:00",""
"7228234","16.426","0.006","12.656","0.005","11.482","0.004","90","","90","","90","","2387","1.5","93","","93","","","","","","","","","6","P 21 21 2","P 2 2ab","18","","","","- C27 H18 Ag Cl3 N2 O4 -","- C27 H18 Ag Cl3 N2 O4 -","- C108 H72 Ag4 Cl12 N8 O16 -","4","1","","Fukushima, Misaki; Kikkawa, Shoko; hikawa, hidemasa; Azumaya, Isao","Synthesis and Solvent Vapor Induced Transformations of Crystals of 1D Coordination Polymer Assembled with Continuous Void Space","CrystEngComm","2017","","","","","10.1039/C7CE00640C","","","0.71075","MoKα","","0.0303","0.0254","","","0.0591","0.0604","","","","","","0.996","","","","has coordinates","196565","2020-10-21","18:00:00",""
"7228235","18.3851","0.0014","14.1175","0.0011","11.4036","0.0009","90","","90","","90","","2959.8","0.4","93","","93","","","","","","","","","7","P n a 21","P 2c -2n","33","","","","- C34 H32 Ag B F4 N2 O2 -","- C34 H32 Ag B F4 N2 O2 -","- C136 H128 Ag4 B4 F16 N8 O8 -","4","1","","Fukushima, Misaki; Kikkawa, Shoko; hikawa, hidemasa; Azumaya, Isao","Synthesis and Solvent Vapor Induced Transformations of Crystals of 1D Coordination Polymer Assembled with Continuous Void Space","CrystEngComm","2017","","","","","10.1039/C7CE00640C","","","0.71075","MoKα","","0.0318","0.0274","","","0.0585","0.0603","","","","","","1.171","","","","has coordinates","196565","2020-10-21","18:00:00",""
"7228236","22.764","0.006","11.314","0.002","22.613","0.005","90","","109.182","0.004","90","","5501","2","93","","93","","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C30 H16 Ag2 F6 N2 O4 -","- C30 H16 Ag2 F6 N2 O4 -","- C240 H128 Ag16 F48 N16 O32 -","8","1","","Fukushima, Misaki; Kikkawa, Shoko; hikawa, hidemasa; Azumaya, Isao","Synthesis and Solvent Vapor Induced Transformations of Crystals of 1D Coordination Polymer Assembled with Continuous Void Space","CrystEngComm","2017","","","","","10.1039/C7CE00640C","","","0.71075","MoKα","","0.0496","0.0368","","","0.0971","0.1047","","","","","","1.052","","","","has coordinates","196565","2020-10-21","18:00:00",""
"7228237","4.7188","0.0006","15.466","0.0014","20.036","0.0018","90","","99.372","0.004","90","","1442.7","0.3","100","2","100","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C13 H17 N2 O8 -","- C13 H17 N2 O8 -","- C52 H68 N8 O32 -","4","1","","Prohens, Rafel; Frontera, Antonio; Portell, Anna; Font-Bardia, Merce; Bauza, Antonio","A combined crystallographic and theoretical study of weak intermolecular interactions in crystalline squaric acid esters and amides","CrystEngComm","2017","","","","","10.1039/C7CE00556C","","","0.71073","MoKα","","0.0471","0.0337","","","0.084","0.0916","","","","","","1.024","","","","has coordinates","196566","2020-10-21","18:00:00",""
"7228238","23.485","0.01","9.632","0.004","47.03","0.019","90","","96.764","0.01","90","","10564","8","303","2","303","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C21.6 H25.6 N2 O5.2 S0.8 -","- C21.6 H25.6 N2 O5.2 S0.8 -","- C432 H512 N40 O104 S16 -","20","5","","Prohens, Rafel; Frontera, Antonio; Portell, Anna; Font-Bardia, Merce; Bauza, Antonio","A combined crystallographic and theoretical study of weak intermolecular interactions in crystalline squaric acid esters and amides","CrystEngComm","2017","","","","","10.1039/C7CE00556C","","","0.71073","MoKα","","0.3231","0.0383","","","0.052","0.0856","","","","","","0.703","","","","has coordinates","203412","2020-10-21","18:00:00",""
"7228239","7.1055","0.0013","10.956","0.002","14.797","0.003","90","","118.699","0.007","90","","1010.4","0.3","303","2","303","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C11 H10 N2 O3 -","- C11 H10 N2 O3 -","- C44 H40 N8 O12 -","4","1","","Prohens, Rafel; Frontera, Antonio; Portell, Anna; Font-Bardia, Merce; Bauza, Antonio","A combined crystallographic and theoretical study of weak intermolecular interactions in crystalline squaric acid esters and amides","CrystEngComm","2017","","","","","10.1039/C7CE00556C","","","0.71073","MoKα","","0.0729","0.0675","","","0.1707","0.1735","","","","","","1.096","","","","has coordinates","196566","2020-10-21","18:00:00",""
"7228240","7.435","0.005","14.028","0.007","12.008","0.006","90","","92.07","0.03","90","","1251.6","1.2","293","2","293","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C13 H14 N2 O3 -","- C13 H14 N2 O3 -","- C52 H56 N8 O12 -","4","1","","Prohens, Rafel; Frontera, Antonio; Portell, Anna; Font-Bardia, Merce; Bauza, Antonio","A combined crystallographic and theoretical study of weak intermolecular interactions in crystalline squaric acid esters and amides","CrystEngComm","2017","","","","","10.1039/C7CE00556C","","","0.71073","MoKα","","0.0536","0.0475","","","0.1278","0.1312","","","","","","1.16","","","","has coordinates","196566","2020-10-21","18:00:00",""
"7228241","46.922","0.005","6.086","0.004","7.467","0.008","90","","92.72","0.06","90","","2130","3","293","2","293","2","","","","","","","","4","C 1 c 1","C -2yc","9","","","","- C22 H26 N2 O5 -","- C22 H26 N2 O5 -","- C88 H104 N8 O20 -","4","1","","Prohens, Rafel; Frontera, Antonio; Portell, Anna; Font-Bardia, Merce; Bauza, Antonio","A combined crystallographic and theoretical study of weak intermolecular interactions in crystalline squaric acid esters and amides","CrystEngComm","2017","","","","","10.1039/C7CE00556C","","","0.71073","MoKα","","0.1222","0.0758","","","0.2012","0.2424","","","","","","0.973","","","","has coordinates","206958","2020-10-21","18:00:00",""
"7228242","29.8816","0.0012","7.7255","0.0003","21.4941","0.0009","90","","117.245","0.002","90","","4411.4","0.3","296","2","296","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C36 H32 Cl Cu4 N12 O16 -","- C36 H28 Cl Cu4 N12 O16 -","- C144 H112 Cl4 Cu16 N48 O64 -","4","0.5","","Zhou, Sheng-Bin; Wang, Xin-Fang; Du, Ceng-Ceng; Wang, Duo-Zhi; Jia, Dianzeng","A series of new mixed-ligand complexes based on 3,6-bis(imidazol-1-yl)pyridazine: syntheses, structures, and catalytic activities","CrystEngComm","2017","","","","","10.1039/C7CE00394C","","","0.71073","MoKα","","0.0431","0.0358","","","0.094","0.0986","","","","","","1.057","","","","has coordinates,has disorder","196567","2020-10-21","18:00:00",""
"7228243","8.4549","0.0003","9.6723","0.0004","12.4874","0.0006","111.413","0.001","90.101","0.001","101.508","0.001","928.48","0.07","296","2","296","2","","","","","","","","5","P -1","-P 1","2","","","","- C18 H14.5 N6 Ni O5.25 -","- C18 H14.5 N6 Ni O5.25 -","- C36 H29 N12 Ni2 O10.5 -","2","1","","Zhou, Sheng-Bin; Wang, Xin-Fang; Du, Ceng-Ceng; Wang, Duo-Zhi; Jia, Dianzeng","A series of new mixed-ligand complexes based on 3,6-bis(imidazol-1-yl)pyridazine: syntheses, structures, and catalytic activities","CrystEngComm","2017","","","","","10.1039/C7CE00394C","","","0.71073","MoKα","","0.0623","0.0604","","","0.1393","0.1401","","","","","","1.041","","","","has coordinates,has disorder","196567","2020-10-21","18:00:00",""
"7228244","7.409","0.002","16.144","0.005","10.837","0.003","90","","107.531","0.009","90","","1236","0.6","296","2","296","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C22 H16 N14 Ni S2 -","- C22 H16 N14 Ni S2 -","- C44 H32 N28 Ni2 S4 -","2","0.5","","Zhou, Sheng-Bin; Wang, Xin-Fang; Du, Ceng-Ceng; Wang, Duo-Zhi; Jia, Dianzeng","A series of new mixed-ligand complexes based on 3,6-bis(imidazol-1-yl)pyridazine: syntheses, structures, and catalytic activities","CrystEngComm","2017","","","","","10.1039/C7CE00394C","","","0.71073","MoKα","","0.066","0.0447","","","0.0953","0.1063","","","","","","1.038","","","","has coordinates","196567","2020-10-21","18:00:00",""
"7228245","16.979","0.003","24.792","0.005","6.1089","0.0011","90","","90","","90","","2571.5","0.8","273","2","273","2","","","","","","","","5","P 21 21 2","P 2 2ab","18","","","","- C24 H16 Co N6 O5 -","- C24 H16 Co N6 O5 -","- C96 H64 Co4 N24 O20 -","4","1","","Zhou, Sheng-Bin; Wang, Xin-Fang; Du, Ceng-Ceng; Wang, Duo-Zhi; Jia, Dianzeng","A series of new mixed-ligand complexes based on 3,6-bis(imidazol-1-yl)pyridazine: syntheses, structures, and catalytic activities","CrystEngComm","2017","","","","","10.1039/C7CE00394C","","","0.71073","MoKα","","0.1243","0.0716","","","0.2576","0.2685","","","","","","1.03","","","","has coordinates,has disorder","196567","2020-10-21","18:00:00",""
"7228246","7.6597","0.0011","11.198","0.0016","13.3076","0.0018","110.824","0.004","95.302","0.004","104.344","0.004","1012.9","0.3","273","2","273","2","","","","","","","","5","P -1","-P 1","2","","","","- C42 H26 Cu5 N6 O18 -","- C42 H26 Cu5 N6 O18 -","- C42 H26 Cu5 N6 O18 -","1","0.5","","Zhou, Sheng-Bin; Wang, Xin-Fang; Du, Ceng-Ceng; Wang, Duo-Zhi; Jia, Dianzeng","A series of new mixed-ligand complexes based on 3,6-bis(imidazol-1-yl)pyridazine: syntheses, structures, and catalytic activities","CrystEngComm","2017","","","","","10.1039/C7CE00394C","","","0.71073","MoKα","","0.0547","0.0403","","","0.0834","0.0901","","","","","","1.025","","","","has coordinates,has disorder","196567","2020-10-21","18:00:00",""
"7228247","6.8758","0.0003","10.5245","0.0005","21.6313","0.0009","80.501","0.001","84.03","0.001","72.161","0.001","1467.26","0.11","296","2","296","2","","","","","","","","5","P -1","-P 1","2","","","","- C24 H18 Cu2 N8 O10 -","- C24 H18 Cu2 N8 O10 -","- C48 H36 Cu4 N16 O20 -","2","1","","Zhou, Sheng-Bin; Wang, Xin-Fang; Du, Ceng-Ceng; Wang, Duo-Zhi; Jia, Dianzeng","A series of new mixed-ligand complexes based on 3,6-bis(imidazol-1-yl)pyridazine: syntheses, structures, and catalytic activities","CrystEngComm","2017","","","","","10.1039/C7CE00394C","","","0.71073","MoKα","","0.0424","0.0342","","","0.1286","0.1463","","","","","","0.957","","","","has coordinates","196567","2020-10-21","18:00:00",""
"7228248","10.5905","0.0005","11.7646","0.0005","13.5378","0.0006","105.336","0.001","105.428","0.001","106.856","0.001","1445.46","0.11","296","2","296","2","","","","","","","","5","P -1","-P 1","2","","","","- C28 H22 Co N6 O14 -","- C28 H22 Co N6 O14 -","- C56 H44 Co2 N12 O28 -","2","1","","Zhou, Sheng-Bin; Wang, Xin-Fang; Du, Ceng-Ceng; Wang, Duo-Zhi; Jia, Dianzeng","A series of new mixed-ligand complexes based on 3,6-bis(imidazol-1-yl)pyridazine: syntheses, structures, and catalytic activities","CrystEngComm","2017","","","","","10.1039/C7CE00394C","","","0.71073","MoKα","","0.051","0.0372","","","0.0963","0.1068","","","","","","0.995","","","","has coordinates,has disorder","196567","2020-10-21","18:00:00",""
"7228249","8.7343","0.0012","8.4099","0.0012","14.2737","0.0019","90","","106.437","0.004","90","","1005.6","0.2","273","2","273","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C21 H27 N O3 P -","- C21 H27 N O3 P -","- C42 H54 N2 O6 P2 -","2","1","","Yang, Chu-Ting; Han, Jun; Liu, Jun; Li, Yi; Zhang, Fan; Gu, Mei; Hu, Sheng; Wang, Xiaolin","Stereocontrolled C(sp3)‒P bond formation with non-activated alkyl halides and tosylates","RSC Adv.","2017","7","40","24652","","10.1039/C7RA02766D","","","0.71073","MoKα","","0.0402","0.0312","","","0.0943","0.1159","","","","","","0.983","","","","has coordinates","196573","2020-10-21","18:00:00",""
"7228250","11.841","0.006","12.064","0.003","13.693","0.005","90","","90","","90","","1956","1.3","100.6","","100.6","","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C22 H29 N3 O3 -","- C22 H29 N3 O3 -","- C88 H116 N12 O12 -","4","1","","Wu, Chang-Jing; Li, Chang-Wei; Gao, Hao; Huang, Xiao-Jun; Cui, Cheng-Bin","Penicimutamides D‒E: two new prenylated indole alkaloids from a mutant of the marine-derived Penicillium purpurogenum G59","RSC Adv.","2017","7","40","24718","","10.1039/C7RA02446K","","","1.5418","CuKα","","0.0434","0.041","","","0.1039","0.1065","","","","","","1.036","","","","has coordinates","196574","2020-10-21","18:00:00",""
"7228253","20.777","0.002","11.6382","0.0009","23.8738","0.0017","90","","90.074","0.007","90","","5772.8","0.8","123","","123","","","","","","","","Max Klein","6","C 1 2/c 1","-C 2yc","15","","","","- C58 H72 Cl4 N6 O4 Zn2 -","- C58 H72 Cl4 N6 O4 Zn2 -","- C232 H288 Cl16 N24 O16 Zn8 -","4","0.5","","Housecroft, Catherine E.; Constable, Edwin C.; Klein, Maximilian; Neuburger, Markus; Prescimone, Alessandro","What a difference a tail makes: 2D→2D parallel interpenetration of sheets to interpenetrated nbo networks using ditopic-4,2':6',4''-terpyridine ligands","CrystEngComm","2017","","","","","10.1039/C7CE00686A","","","1.54178","CuKα","","0.0749","0.0726","","0.1726","0.1722","0.1726","","","","","","0.7625","","","","has coordinates,has disorder","196605","2020-10-21","18:00:00",""
"7228254","35.9593","0.0006","35.9593","0.0006","25.1227","0.0003","90","","90","","120","","28133.2","0.7","123","","123","","","","","","","","","6","R -3 :H","-R 3","148","","","","- C54 H44 Br4 N6 O3 Zn2 -","- C54 H44 Br4 N6 O3 Zn2 -","- C486 H396 Br36 N54 O27 Zn18 -","9","0.5","","Housecroft, Catherine E.; Constable, Edwin C.; Klein, Maximilian; Neuburger, Markus; Prescimone, Alessandro","What a difference a tail makes: 2D→2D parallel interpenetration of sheets to interpenetrated nbo networks using ditopic-4,2':6',4''-terpyridine ligands","CrystEngComm","2017","","","","","10.1039/C7CE00686A","","","1.34143","GaKα","","0.1242","0.0898","","0.0924","0.0719","0.071","","","","","","0.9393","","","","has coordinates","196605","2020-10-21","18:00:00",""
"7228255","20.4985","0.0009","11.6491","0.0003","23.7457","0.001","90","","91.737","0.004","90","","5667.6","0.4","123","","123","","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C48 H48 Cl4 N6 O2 Zn2 -","- C48 H48 Cl4 N6 O2 Zn2 -","- C192 H192 Cl16 N24 O8 Zn8 -","4","0.5","","Housecroft, Catherine E.; Constable, Edwin C.; Klein, Maximilian; Neuburger, Markus; Prescimone, Alessandro","What a difference a tail makes: 2D→2D parallel interpenetration of sheets to interpenetrated nbo networks using ditopic-4,2':6',4''-terpyridine ligands","CrystEngComm","2017","","","","","10.1039/C7CE00686A","","","1.34143","GaKα","","0.0676","0.0451","","0.0578","0.051","0.051","","","","","","0.8726","","","","has coordinates","196605","2020-10-21","18:00:00",""
"7228256","9.0731","0.0017","9.3483","0.0017","17.357","0.003","90","","90","","90","","1472.2","0.5","293","2","293","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C14 H13 Br O6 -","- C14 H13 Br O6 -","- C56 H52 Br4 O24 -","4","1","","Guo, Yan-Jun; Xia, Ai-Bao; Meng, Chen-Hong; Xu, Zhen Yuan; Xu, Danqian","Direct Conversion of γ,γ-Dicarbonyl-Substituted Aldehydes into γ- Lactones with a Sodium Chlorite/DBDMH Combination","Green Chem.","2017","","","","","10.1039/C7GC00144D","","","0.71073","MoKα","","0.058","0.0386","","","0.0819","0.0889","","","","","","0.985","","","","has coordinates","196610","2020-10-21","18:00:00",""
"7228259","9.5715","0.0009","10.1208","0.001","11.698","0.0013","113.409","0.01","101.145","0.009","105.464","0.008","943.2","0.2","100","","100","","","","","","","","","4","P -1","-P 1","2","","","","- C12 H12 O16 Tb -","- C12 H6 O16 Tb -","- C24 H12 O32 Tb2 -","2","1","","Anderson, Samantha; Gladysiak, Andrzej; Boyd, Peter G.; Ireland, Christopher; Miéville, Pascal; tiana, davide; Vlaisavljevich, Bess; Schouwink, Pascal; van Beek, Wouter; Gagnon, Kevin J.; Smit, Berend; Stylianou, Kyriakos","Formation Pathways of Metal Organic Frameworks Proceeding Through Partial Dissolution of the Metastable Phase","CrystEngComm","2017","","","","","10.1039/C7CE00589J","","x-ray","0.7153","synchrotron","","0.1008","0.077","","","0.1941","0.2209","","","","","","1.064","","","","has coordinates","196712","2020-10-21","18:00:00",""
"7228260","13.388","0.003","6.6366","0.0012","15.567","0.002","90","","98.599","0.014","90","","1367.6","0.4","293","2","293","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C11 H10 N O7 Tb -","- C11 H10 N O7 Tb -","- C44 H40 N4 O28 Tb4 -","4","1","","Anderson, Samantha; Gladysiak, Andrzej; Boyd, Peter G.; Ireland, Christopher; Miéville, Pascal; tiana, davide; Vlaisavljevich, Bess; Schouwink, Pascal; van Beek, Wouter; Gagnon, Kevin J.; Smit, Berend; Stylianou, Kyriakos","Formation Pathways of Metal Organic Frameworks Proceeding Through Partial Dissolution of the Metastable Phase","CrystEngComm","2017","","","","","10.1039/C7CE00589J","","","0.71073","MoKα","","0.0681","0.0369","","","0.0496","0.0552","","","","","","1.055","","","","has coordinates,has disorder","196712","2020-10-21","18:00:00",""
"7228261","12.372","0.001","6.5373","0.0004","16.4809","0.0012","90","","99.121","0.005","90","","1316.11","0.17","100","2","100","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C8 H11 O11 Tb -","- C8 H3 O11 Tb -","- C32 H12 O44 Tb4 -","4","1","","Anderson, Samantha; Gladysiak, Andrzej; Boyd, Peter G.; Ireland, Christopher; Miéville, Pascal; tiana, davide; Vlaisavljevich, Bess; Schouwink, Pascal; van Beek, Wouter; Gagnon, Kevin J.; Smit, Berend; Stylianou, Kyriakos","Formation Pathways of Metal Organic Frameworks Proceeding Through Partial Dissolution of the Metastable Phase","CrystEngComm","2017","","","","","10.1039/C7CE00589J","","","0.7749","synchrotron","","0.1247","0.1081","","","0.2569","0.2649","","","","","","1.166","","","","has coordinates","196712","2020-10-21","18:00:00",""
"7228262","10.4608","0.0008","10.9006","0.001","12.5293","0.001","104.61","0.005","107.84","0.004","97.204","0.004","1283.78","0.19","150","2","149.72","","","","","","","","","5","P -1","-P 1","2","","","","- C21 H27 N3 O12 Tb -","- C21 H27 N3 O12 Tb -","- C42 H54 N6 O24 Tb2 -","2","1","","Anderson, Samantha; Gladysiak, Andrzej; Boyd, Peter G.; Ireland, Christopher; Miéville, Pascal; tiana, davide; Vlaisavljevich, Bess; Schouwink, Pascal; van Beek, Wouter; Gagnon, Kevin J.; Smit, Berend; Stylianou, Kyriakos","Formation Pathways of Metal Organic Frameworks Proceeding Through Partial Dissolution of the Metastable Phase","CrystEngComm","2017","","","","","10.1039/C7CE00589J","","","0.71073","MoKα","","0.0211","0.018","","","0.0421","0.0433","","","","","","1.08","","","","has coordinates,has disorder","196712","2020-10-21","18:00:00",""
"7228263","7.6439","0.0007","11.271","0.002","13.576","0.003","67.807","0.018","79.669","0.011","81.247","0.011","1060.8","0.3","130","0.1","130","0.1","","","","","","","","4","P -1","-P 1","2","","","","- C12 H10 N4 O -","- C12 H10 N4 O -","- C48 H40 N16 O4 -","4","2","","Mahmoudi, Ghodrat; Khandar, AliAkbar; White, Jonathan; Mitoraj, Mariusz Paweł; Sekhar Jena, Himanshu; Van Der Voort, Pascal; Qureshi, Naseem; Kirillov, Alexander; Robeyns, Koen; Safin, Damir","Polar protic solvent-trapping polymorphism of the HgII-hydrazone coordination polymer: experimental and theoretical findings","CrystEngComm","2017","","","","","10.1039/C7CE00626H","","","0.7107","MoKα","","0.0506","0.0398","","","0.0969","0.107","","","","","","1.046","","","","has coordinates","196713","2020-10-21","18:00:00",""
"7228264","8.236","0.0002","14.482","0.0003","14.053","0.0002","90","","97.015","0.002","90","","1663.61","0.06","120","","120","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C14 H15 Hg N7 O2 -","- C14 H15 Hg N7 O2 -","- C56 H60 Hg4 N28 O8 -","4","1","","Mahmoudi, Ghodrat; Khandar, AliAkbar; White, Jonathan; Mitoraj, Mariusz Paweł; Sekhar Jena, Himanshu; Van Der Voort, Pascal; Qureshi, Naseem; Kirillov, Alexander; Robeyns, Koen; Safin, Damir","Polar protic solvent-trapping polymorphism of the HgII-hydrazone coordination polymer: experimental and theoretical findings","CrystEngComm","2017","","","","","10.1039/C7CE00626H","","","1.5418","CuKα","","0.0265","0.0225","","","0.05","0.0519","","","","","","1.033","","","","has coordinates","196713","2020-10-21","18:00:00",""
"7228265","14.4728","0.0011","14.4895","0.0012","16.2609","0.0012","90","","90","","90","","3410","0.5","100","2","100","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C14 H17 Hg N7 O3 -","- C14 H17 Hg N7 O3 -","- C112 H136 Hg8 N56 O24 -","8","1","","Mahmoudi, Ghodrat; Khandar, AliAkbar; White, Jonathan; Mitoraj, Mariusz Paweł; Sekhar Jena, Himanshu; Van Der Voort, Pascal; Qureshi, Naseem; Kirillov, Alexander; Robeyns, Koen; Safin, Damir","Polar protic solvent-trapping polymorphism of the HgII-hydrazone coordination polymer: experimental and theoretical findings","CrystEngComm","2017","","","","","10.1039/C7CE00626H","","","0.71073","MoKα","","0.0378","0.021","","","0.041","0.0457","","","","","","1.033","","","","has coordinates","196713","2020-10-21","18:00:00",""
"7228266","8.1973","0.0002","14.0633","0.0003","14.2839","0.0003","90","","96.485","0.002","90","","1636.13","0.06","130","2","130","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C14 H14 Hg N7 O1.5 -","- C14 H14 Hg N7 O1.5 -","- C56 H56 Hg4 N28 O6 -","4","1","","Mahmoudi, Ghodrat; Khandar, AliAkbar; White, Jonathan; Mitoraj, Mariusz Paweł; Sekhar Jena, Himanshu; Van Der Voort, Pascal; Qureshi, Naseem; Kirillov, Alexander; Robeyns, Koen; Safin, Damir","Polar protic solvent-trapping polymorphism of the HgII-hydrazone coordination polymer: experimental and theoretical findings","CrystEngComm","2017","","","","","10.1039/C7CE00626H","","","1.54184","CuKα","","0.0238","0.0187","","","0.0417","0.0436","","","","","","1.064","","","","has coordinates,has disorder","196713","2020-10-21","18:00:00",""
"7228267","14.9694","0.0008","12.3482","0.0006","15.9191","0.0011","90","","90","","90","","2942.6","0.3","292","2","292","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","36G","36G","","- C24 H20 Hg2 N14 O3 -","- C24 H20 Hg2 N14 O3 -","- C96 H80 Hg8 N56 O12 -","4","0.5","","Mahmoudi, Ghodrat; Khandar, AliAkbar; White, Jonathan; Mitoraj, Mariusz Paweł; Sekhar Jena, Himanshu; Van Der Voort, Pascal; Qureshi, Naseem; Kirillov, Alexander; Robeyns, Koen; Safin, Damir","Polar protic solvent-trapping polymorphism of the HgII-hydrazone coordination polymer: experimental and theoretical findings","CrystEngComm","2017","","","","","10.1039/C7CE00626H","","","0.71073","MoKα","","0.1053","0.0465","","","0.1131","0.1453","","","","","","0.958","","","","has coordinates","196713","2020-10-21","18:00:00",""
"7228268","10.3282","0.0015","14.3823","0.0017","11.7472","0.0016","90","","99.721","0.007","90","","1719.9","0.4","100","2","100","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C15 H17 Hg N7 O2 -","- C15 H17 Hg N7 O2 -","- C60 H68 Hg4 N28 O8 -","4","1","","Mahmoudi, Ghodrat; Khandar, AliAkbar; White, Jonathan; Mitoraj, Mariusz Paweł; Sekhar Jena, Himanshu; Van Der Voort, Pascal; Qureshi, Naseem; Kirillov, Alexander; Robeyns, Koen; Safin, Damir","Polar protic solvent-trapping polymorphism of the HgII-hydrazone coordination polymer: experimental and theoretical findings","CrystEngComm","2017","","","","","10.1039/C7CE00626H","","","0.71073","MoKα","","0.1663","0.0619","","","0.1019","0.1253","","","","","","1.02","","","","has coordinates,has disorder","196713","2020-10-21","18:00:00",""
"7228269","7.17009","0.00012","13.9391","0.0002","25.7472","0.0004","90","","90","","90","","2573.29","0.07","100","0.1","100","0.1","","","","","","","yes","3","P 21 21 21","P 2ac 2ab","19","Procyanidyn A2","(2R,3R,8S,14R,15R)-2,8-bis(3,4-dihydroxyphenyl)-2,3,4,14-tetrahydro-8,14-methanobenzo[7,8][1,3]dioxocino[4,5-h]chromene-3,5,11,13,15-pentaol","","- C30 H28 O14 -","- C30 H28 O14 -","- C120 H112 O56 -","4","1","","Dudek, Marta K.; Bujacz, Grzegorz; Potrzebowski, Marek J.","Experimental tests for quality validation of computationally predicted crystal structures ‒ a case of a conformationally flexible procyanidin A-2 dihydrate","CrystEngComm","2017","","","","","10.1039/C7CE00618G","","x-ray","1.54184","CuKα","","0.0358","0.0343","","","0.0914","0.0931","","","","","","1.041","","","","has coordinates","204140","2020-10-21","18:00:00",""
"7228270","31.0977","0.0016","31.0977","0.0016","31.0977","0.0016","90","","90","","90","","30074","3","293","2","293","2","","","","","","","","5","I m -3 m","-I 4 2 3","229","","","","- C26 H11 Cu2 N O9 -","- C26 H11 Cu2 N O9 -","- C624 H264 Cu48 N24 O216 -","24","0.25","","Du, Liting; Zhang, Jinchi; Lu, Zhiyong; Duan, Jingui; Xu, Li","A New Methyl-embedded (3,36)-connected Txt-type Metal-Organic Framework Exhibiting High H2 Adsorption Property","CrystEngComm","2017","","","","","10.1039/C7CE00461C","","","0.71073","MoKα","","0.102","0.0539","","","0.1382","0.1491","","","","","","1.054","","","","has coordinates","196715","2020-10-21","18:00:00",""
"7228271","13.0499","0.0009","6.4263","0.0004","10.3169","0.0007","90","","92.655","0.006","90","","864.27","0.1","169.9","0.4","169.9","0.4","","","","","","","","4","P 1 c 1","P -2yc","7","","","","- C16 H18 N4 O6 -","- C16 H18 N4 O6 -","- C32 H36 N8 O12 -","2","1","","Covaci, Ovidiu Ilie; Mitran, Raul - Augustin Augustin; Buhalteanu, Lucian; Dumitrescu, Dan; Sova, Sergiu; Manta, Corina Mihaela","Bringing new life into old drugs. A case study on nifuroxazide polymorphism","CrystEngComm","2017","","","","","10.1039/C7CE00303J","","","0.71073","MoKα","","0.0583","0.0492","","","0.1165","0.1264","","","","","","1.038","","","","has coordinates","196716","2020-10-21","18:00:00",""
"7228272","7.7327","0.0007","10.8661","0.0007","38.348","0.003","90","","93.185","0.007","90","","3217.2","0.4","170","0.1","170","0.1","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C14 H16 N3 O6.5 S -","- C14 H16 N3 O6.5 S -","- C112 H128 N24 O52 S8 -","8","2","","Covaci, Ovidiu Ilie; Mitran, Raul - Augustin Augustin; Buhalteanu, Lucian; Dumitrescu, Dan; Sova, Sergiu; Manta, Corina Mihaela","Bringing new life into old drugs. A case study on nifuroxazide polymorphism","CrystEngComm","2017","","","","","10.1039/C7CE00303J","","","0.71073","MoKα","","0.0982","0.0597","","","0.0924","0.1067","","","","","","1.024","","","","has coordinates","203412","2020-10-21","18:00:00",""
"7228273","6.9119","0.0008","11.5956","0.0017","15.219","0.002","78.832","0.012","81.329","0.011","75.997","0.012","1154.2","0.3","170.2","0.4","170.2","0.4","","","","","","","","4","P -1","-P 1","2","","","","- C22 H27 N5 O7 -","- C22 H27 N5 O7 -","- C44 H54 N10 O14 -","2","1","","Covaci, Ovidiu Ilie; Mitran, Raul - Augustin Augustin; Buhalteanu, Lucian; Dumitrescu, Dan; Sova, Sergiu; Manta, Corina Mihaela","Bringing new life into old drugs. A case study on nifuroxazide polymorphism","CrystEngComm","2017","","","","","10.1039/C7CE00303J","","","0.71073","MoKα","","0.1286","0.0916","","","0.2269","0.2584","","","","","","1.008","","","","has coordinates","196716","2020-10-21","18:00:00",""
"7228274","14.1519","0.0003","17.9729","0.0004","8.0831","0.0002","90","","97.051","0.002","90","","2040.39","0.08","296","2","296","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C32 H40 Hg2 I4 N4 O4 -","- C32 H40 Hg2 I4 N4 O4 -","- C64 H80 Hg4 I8 N8 O8 -","2","0.5","","Mahmoudi, Ghodrat; Zangrando, Ennio; Bauza, Antonio; Maniukiewicz, Waldemar; Carballo, Rosa; Gurbanov, Atash V.; Frontera, Antonio","Molecular and crystalline architectures based on HgI2: from metallamacrocycles to coordination polymer","CrystEngComm","2017","","","","","10.1039/C7CE00628D","","","1.54184","CuKα","","0.0475","0.0311","","","0.0596","0.0664","","","","","","1.031","","","","has coordinates","196717","2020-10-21","18:00:00",""
"7228275","16.861","0.002","8.7293","0.0008","21.76","0.002","90","","90","","90","","3202.7","0.6","173","2","173","2","","","","","","","synthesis as described","5","P b c a","-P 2ac 2ab","61","","","","- C12 H11 Hg I2 N3 -","- C12 H11 Hg I2 N3 -","- C96 H88 Hg8 I16 N24 -","8","1","","Mahmoudi, Ghodrat; Zangrando, Ennio; Bauza, Antonio; Maniukiewicz, Waldemar; Carballo, Rosa; Gurbanov, Atash V.; Frontera, Antonio","Molecular and crystalline architectures based on HgI2: from metallamacrocycles to coordination polymer","CrystEngComm","2017","","","","","10.1039/C7CE00628D","","x-ray","0.71069","MoKα","","0.125","0.0742","","","0.2121","0.238","","","","","","1.009","","","","has coordinates","196717","2020-10-21","18:00:00",""
"7228276","8.6824","0.0013","20.009","0.003","8.9455","0.0013","90","","107.123","0.003","90","","1485.2","0.4","193","2","193","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C30 H32 N6 O6 -","- C30 H32 N6 O6 -","- C60 H64 N12 O12 -","2","1","","Mahmoudi, Ghodrat; Zangrando, Ennio; Bauza, Antonio; Maniukiewicz, Waldemar; Carballo, Rosa; Gurbanov, Atash V.; Frontera, Antonio","Molecular and crystalline architectures based on HgI2: from metallamacrocycles to coordination polymer","CrystEngComm","2017","","","","","10.1039/C7CE00628D","","","0.71073","MoKα","","0.0676","0.043","","","0.097","0.1138","","","","","","1.055","","","","has coordinates","196717","2020-10-21","18:00:00",""
"7228277","10.151","0.01","11.85","0.02","15.41","0.018","81.36","0.14","89.39","0.09","87.3","0.13","1831","4","293","2","293","2","","","","","","","synthesis as described","6","P -1","-P 1","2","","","","- C48 H40 Hg4 I8 N16 O4 -","- C48 H40 Hg4 I8 N16 O4 -","- C48 H40 Hg4 I8 N16 O4 -","1","0.5","","Mahmoudi, Ghodrat; Zangrando, Ennio; Bauza, Antonio; Maniukiewicz, Waldemar; Carballo, Rosa; Gurbanov, Atash V.; Frontera, Antonio","Molecular and crystalline architectures based on HgI2: from metallamacrocycles to coordination polymer","CrystEngComm","2017","","","","","10.1039/C7CE00628D","","x-ray","0.71073","MoKα","","0.1762","0.102","","","0.2366","0.271","","","","","","0.946","","","","has coordinates","196717","2020-10-21","18:00:00",""
"7228278","11.0638","0.0018","12.0651","0.0018","14.522","0.002","72.328","0.003","69.217","0.003","84.581","0.003","1726.6","0.5","193","2","193","2","","","","","","","","6","P -1","-P 1","2","","","","- C60 H64 Hg2 I4 N12 O12 -","- C60 H64 Hg2 I4 N12 O12 -","- C60 H64 Hg2 I4 N12 O12 -","1","0.5","","Mahmoudi, Ghodrat; Zangrando, Ennio; Bauza, Antonio; Maniukiewicz, Waldemar; Carballo, Rosa; Gurbanov, Atash V.; Frontera, Antonio","Molecular and crystalline architectures based on HgI2: from metallamacrocycles to coordination polymer","CrystEngComm","2017","","","","","10.1039/C7CE00628D","","","0.71073","MoKα","","0.1038","0.0525","","","0.1397","0.2274","","","","","","1.048","","","","has coordinates","196717","2020-10-21","18:00:00",""
"7228279","17.9459","0.0005","27.5058","0.0006","26.723","0.0007","90","","126.788","0.012","90","","10564","1.7","150","2","150","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C110 H107 N5 Na2 Ni6 O24 -","- C110 H107 N5 Na2 Ni6 O24 -","- C440 H428 N20 Na8 Ni24 O96 -","4","1","","Machata, Marek; Nemec, Ivan; Herchel, Radovan; Trávníček, Zdeněk","An octanuclear Schiff-base complex with a Na2Ni6 core: structure, magnetism and DFT calculations","RSC Adv.","2017","7","42","25821","","10.1039/C7RA01374D","","","0.71073","MoKα","","0.1244","0.0622","","","0.1629","0.1802","","","","","","0.935","","","","has coordinates,has disorder","196753","2020-10-21","18:00:00",""
"7228280","15.957","0.003","15.12","0.002","12.362","0.002","90","","122.314","0.002","90","","2520.7","0.7","113","2","113","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C10 H13 Cl N4 Pt S -","- C10 H13 Cl N4 Pt S -","- C80 H104 Cl8 N32 Pt8 S8 -","8","1","","Lin, Xu-Dong; Liu, Ya-Hong; Xie, Cheng-Zhi; Bao, Wei-Guo; Shen, Jun; Xu, Jing-Yuan","Three Pt(ii) complexes based on thiosemicarbazone: synthesis, HSA interaction, cytotoxicity, apoptosis and cell cycle arrest","RSC Adv.","2017","7","42","26478","","10.1039/C7RA04443G","","","0.71073","MoKα","","0.0206","0.0154","","","0.0289","0.0302","","","","","","0.979","","","","has coordinates","196754","2020-10-21","18:00:00",""
"7228281","7.4429","0.0007","13.5839","0.0013","10.5375","0.001","90","","95.673","0.002","90","","1060.16","0.17","113","2","113","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C8 H9 Cl N4 Pt S -","- C8 H9 Cl N4 Pt S -","- C32 H36 Cl4 N16 Pt4 S4 -","4","1","","Lin, Xu-Dong; Liu, Ya-Hong; Xie, Cheng-Zhi; Bao, Wei-Guo; Shen, Jun; Xu, Jing-Yuan","Three Pt(ii) complexes based on thiosemicarbazone: synthesis, HSA interaction, cytotoxicity, apoptosis and cell cycle arrest","RSC Adv.","2017","7","42","26478","","10.1039/C7RA04443G","","","0.71073","MoKα","","0.0174","0.0161","","","0.0379","0.0384","","","","","","0.784","","","","has coordinates","196754","2020-10-21","18:00:00",""
"7228282","8.101","0.002","9.3191","0.0019","14.094","0.003","92.227","0.001","99.051","0.008","104.437","0.008","1014.2","0.4","113","2","113","2","","","","","","","","7","P -1","-P 1","2","","","","- C14 H19 Cl N10 O Pt S2 -","- C14 H19 Cl N10 O Pt S2 -","- C28 H38 Cl2 N20 O2 Pt2 S4 -","2","1","","Lin, Xu-Dong; Liu, Ya-Hong; Xie, Cheng-Zhi; Bao, Wei-Guo; Shen, Jun; Xu, Jing-Yuan","Three Pt(ii) complexes based on thiosemicarbazone: synthesis, HSA interaction, cytotoxicity, apoptosis and cell cycle arrest","RSC Adv.","2017","7","42","26478","","10.1039/C7RA04443G","","","0.71073","MoKα","","0.0216","0.0202","","","0.0501","0.0504","","","","","","0.891","","","","has coordinates","196754","2020-10-21","18:00:00",""
"7228283","10.187","0.003","10.918","0.003","20.739","0.005","82.052","0.004","89.7","0.005","88.467","0.005","2283.6","1.1","296","2","296.15","","","","","","","","","7","P -1","-P 1","2","","","","- C24 H24 Cu2 Mo5 N8 O32 P2 -","- C24 H34 Cu2 Mo5 N8 O32 P2 -","- C48 H68 Cu4 Mo10 N16 O64 P4 -","2","1","","Fang, Ning; Ji, Yu-Mei; Li, Chun-Yan; Wu, Yuan-Yuan; Ma, Chen-Guang; Liu, Hong-Ling; Li, Ming-Xue","Synthesis and adsorption properties of [Cu(L)2(H2O)]H2[Cu(L)2(P2Mo5O23)]·4H2O/Fe3O4 nanocomposites","RSC Adv.","2017","7","41","25325","","10.1039/C7RA02133J","","","0.71073","MoKα","","0.0818","0.0551","","","0.1396","0.1601","","","","","","0.999","","","","has coordinates","196755","2020-10-21","18:00:00",""
"7228284","9.2686","0.0002","17.7615","0.0003","8.3998","0.0001","90","","96.374","0.001","90","","1374.26","0.04","90","0.2","90","0.2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C16 H16 O5 -","- C16 H16 O5 -","- C64 H64 O20 -","4","1","","Jennings, John A.; Parkin, Sean; Munson, Eric; Delaney, Sean P.; Calahan, Julie L.; Isaacs, Mark; Hong, Kunlun; Crocker, Mark","Regioselective Baeyer‒Villiger oxidation of lignin model compounds with tin beta zeolite catalyst and hydrogen peroxide","RSC Adv.","2017","7","42","25987","","10.1039/C7RA03830E","","","1.54178","CuKα","","0.0385","0.0362","","","0.0962","0.0984","","","","","","1.041","","","","has coordinates","196756","2020-10-21","18:00:00",""
"7228285","5.8859","0.0005","12.7775","0.001","19.1219","0.0014","87.423","0.004","89.813","0.005","77.523","0.005","1402.69","0.19","90","0.2","90","0.2","","","","","","","","3","P -1","-P 1","2","","","","- C16 H16 O5 -","- C16 H16 O5 -","- C64 H64 O20 -","4","2","","Jennings, John A.; Parkin, Sean; Munson, Eric; Delaney, Sean P.; Calahan, Julie L.; Isaacs, Mark; Hong, Kunlun; Crocker, Mark","Regioselective Baeyer‒Villiger oxidation of lignin model compounds with tin beta zeolite catalyst and hydrogen peroxide","RSC Adv.","2017","7","42","25987","","10.1039/C7RA03830E","","","1.54178","CuKα","","0.0835","0.0684","","","0.2084","0.2283","","","","","","1.104","","","","has coordinates","196756","2020-10-21","18:00:00",""
"7228286","21.9879","0.0009","19.3316","0.0007","9.2168","0.0004","90","","101.864","0.0015","90","","3834","0.3","193","","193","","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C40 H80 Li2 N4 O38 V10 -","- C40 H92 Li2 N4 O38 V10 -","- C80 H184 Li4 N8 O76 V20 -","2","0.5","","Kiyota, Yoshiki; Taira, Minako; Otobe, Saki; Hanyuda, Koji; Naruke, Haruo; Ito, Takeru","Compositional introduction of lithium ions into conductive polyoxovanadate‒surfactant hybrid crystals","CrystEngComm","2017","","","","","10.1039/C7CE00595D","","","0.71075","MoKα","","0.0834","0.0703","","","0.1563","0.162","","","","","","1.098","","","","has coordinates","196889","2020-10-21","18:00:00",""
"7228287","20.882","0.002","18.186","0.002","10.2629","0.0012","90","","94.447","0.004","90","","3885.7","0.7","193","","193","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C48 H124 N6 O30 V10 -","- C48 H120 N6 O30 V10 -","- C96 H240 N12 O60 V20 -","2","0.5","","Kiyota, Yoshiki; Taira, Minako; Otobe, Saki; Hanyuda, Koji; Naruke, Haruo; Ito, Takeru","Compositional introduction of lithium ions into conductive polyoxovanadate‒surfactant hybrid crystals","CrystEngComm","2017","","","","","10.1039/C7CE00595D","","","0.71075","MoKα","","0.0774","0.0565","","","0.1396","0.1517","","","","","","1.056","","","","has coordinates","196889","2020-10-21","18:00:00",""
"7228288","7.7777","0.0004","13.5678","0.0007","16.7615","0.0009","90","","90","","90","","1768.78","0.16","100","2","100","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C22 H28 O2 -","- C22 H28 O2 -","- C88 H112 O8 -","4","1","","Werner, Georg; Rodygin, Konstantin S.; Kostin, Anton A.; Gordeev, Evgeniy G.; Kashin, Alexey S.; Ananikov, Valentine P.","A solid acetylene reagent with enhanced reactivity: fluoride-mediated functionalization of alcohols and phenols","Green Chem.","2017","","","","","10.1039/C7GC00724H","","","0.71073","MoKα","","0.0475","0.0393","","","0.0911","0.095","","","","","","1.035","","","","has coordinates","196894","2020-10-21","18:00:00",""
"7228289","12.6051","0.0008","8.5936","0.0003","13.0034","0.0008","90","","117.576","0.008","90","","1248.55","0.15","100","2","100","2","","","","","","","","3","P 1 21 1","P 2yb","4","","","","- C29 H48 O -","- C29 H48 O -","- C58 H96 O2 -","2","1","","Werner, Georg; Rodygin, Konstantin S.; Kostin, Anton A.; Gordeev, Evgeniy G.; Kashin, Alexey S.; Ananikov, Valentine P.","A solid acetylene reagent with enhanced reactivity: fluoride-mediated functionalization of alcohols and phenols","Green Chem.","2017","","","","","10.1039/C7GC00724H","","","0.71073","MoKα","","0.0555","0.0426","","","0.0855","0.0929","","","","","","1.008","","","","has coordinates","196894","2020-10-21","18:00:00",""
"7228290","9.7601","0.0019","10.129","0.002","13.161","0.003","103.634","0.004","90.513","0.004","95.06","0.004","1258.9","0.5","296","2","296","2","","","","","","","","5","P -1","-P 1","2","","","","- C46 H38 Mn2 N6 O10 -","- C46 H38 Mn2 N6 O10 -","- C46 H38 Mn2 N6 O10 -","1","0.5","","Ding, Tao; Wang, Xiao-Xian; Zhang, Meng; Ou, Si-Meng; Hu, Tian-Ju","Four new coordination polymers based on a pyridinetetracarboxylate ligand: Syntheses, structures and high CO2/CH4 separation","CrystEngComm","2017","","","","","10.1039/C7CE00535K","","","0.71073","MoKα","","0.0917","0.0813","","","0.2272","0.2362","","","","","","1.057","","","","has coordinates,has disorder","196919","2020-10-21","18:00:00",""
"7228291","28.298","0.006","9.913","0.002","10.478","0.002","90","","107.775","0.003","90","","2799","1","296","2","296","2","","","","","","","","4","C 1 2/m 1","-C 2y","12","","","","- C11 H7 Cd0.75 O5 -","- C11 H7 Cd0.75 O5 -","- C88 H56 Cd6 O40 -","8","1","","Ding, Tao; Wang, Xiao-Xian; Zhang, Meng; Ou, Si-Meng; Hu, Tian-Ju","Four new coordination polymers based on a pyridinetetracarboxylate ligand: Syntheses, structures and high CO2/CH4 separation","CrystEngComm","2017","","","","","10.1039/C7CE00535K","","","0.71073","MoKα","","0.0504","0.0464","","","0.153","0.1573","","","","","","1.062","","","","has coordinates,has disorder","196919","2020-10-21","18:00:00",""
"7228292","10.208","0.004","28.445","0.01","18.358","0.006","90","","90.818","0.007","90","","5330","3","296","2","296","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C22 H9 O8 Zn1.5 -","- C22 H9 O8 Zn1.5 -","- C176 H72 O64 Zn12 -","8","1","","Ding, Tao; Wang, Xiao-Xian; Zhang, Meng; Ou, Si-Meng; Hu, Tian-Ju","Four new coordination polymers based on a pyridinetetracarboxylate ligand: Syntheses, structures and high CO2/CH4 separation","CrystEngComm","2017","","","","","10.1039/C7CE00535K","","","0.71073","MoKα","","0.0768","0.062","","","0.1663","0.1734","","","","","","1.057","","","","has coordinates,has disorder","196919","2020-10-21","18:00:00",""
"7228293","18.338","0.013","20.09","0.014","18.933","0.014","90","","96.929","0.012","90","","6924","9","296","2","296","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C29 H19 N4 O4 Zn -","- C29 H19 N4 O4 Zn -","- C232 H152 N32 O32 Zn8 -","8","1","","Ding, Tao; Wang, Xiao-Xian; Zhang, Meng; Ou, Si-Meng; Hu, Tian-Ju","Four new coordination polymers based on a pyridinetetracarboxylate ligand: Syntheses, structures and high CO2/CH4 separation","CrystEngComm","2017","","","","","10.1039/C7CE00535K","","","0.71073","MoKα","","0.0748","0.0509","","","0.1543","0.1629","","","","","","1.083","","","","has coordinates,has disorder","196919","2020-10-21","18:00:00",""
"7228294","8.1926","0.0011","16.181","0.002","13.1852","0.0018","90","","104.684","0.007","90","","1690.8","0.4","296","2","296","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C22 H14 O3 S -","- C22 H14 O3 S -","- C88 H56 O12 S4 -","4","1","","Majee, Adinath; Mahato, Sachinta; Santra, Sougata; Chatterjee, Rana; Zyryanov, Grigory V.; Hajra, Alakananda","Brønsted acidic ionic liquid-catalyzed tandem reaction: an efficient approach towards regioselective synthesis of pyrano[3,2-c]coumarins under solvent-free conditions bearing lower E-factors","Green Chem.","2017","","","","","10.1039/C7GC01158J","","","0.71073","MoKα","","0.1104","0.0808","","","0.2299","0.2619","","","","","","1.482","","","","has coordinates","206958","2020-10-21","18:00:00",""
"7228295","9.0583","0.0013","15.893","0.002","16.379","0.002","70.496","0.002","89.297","0.002","86.103","0.002","2217.4","0.5","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","","","- C18 H26 Cl4 Fe Ga -","- C18 H26 Cl4 Fe Ga -","- C72 H104 Cl16 Fe4 Ga4 -","4","2","","Mochida, Tomoyuki; Ishida, Mai; Tominaga, Takumi; Takahashi, Kazuyuki; Sakurai, Takahiro; Ohta, Hitoshi","Paramagnetic ionic plastic crystals containing the octamethylferrocenium cation: counteranion dependence of phase transitions and crystal structures","Phys. Chem. Chem. Phys.","2017","","","","","10.1039/C7CP02746J","","","0.71073","MoKα","","0.043","0.0374","","","0.1031","0.1064","","","","","","1.044","","","","has coordinates","196937","2020-10-21","18:00:00",""
"7228296","12.203","0.002","11.584","0.002","28.223","0.005","90","","90","","90","","3989.6","1.2","100","2","100","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","octamethylferrocenium tricyanomethanide","","- C22 H26 Fe N3 -","- C22 H26 Fe N3 -","- C176 H208 Fe8 N24 -","8","1","","Mochida, Tomoyuki; Ishida, Mai; Tominaga, Takumi; Takahashi, Kazuyuki; Sakurai, Takahiro; Ohta, Hitoshi","Paramagnetic ionic plastic crystals containing the octamethylferrocenium cation: counteranion dependence of phase transitions and crystal structures","Phys. Chem. Chem. Phys.","2017","","","","","10.1039/C7CP02746J","","","0.71073","MoKα","","0.0405","0.0379","","","0.0912","0.0927","","","","","","1.268","","","","has coordinates","196937","2020-10-21","18:00:00",""
"7228297","8.9842","0.0004","14.8711","0.0007","19.182","0.0008","90","","102.447","0.001","90","","2502.57","0.19","296","2","296","2","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C21 H26 F6 Fe N O4 S2 -","- C21 H26 F6 Fe N O4 S2 -","- C84 H104 F24 Fe4 N4 O16 S8 -","4","1","","Mochida, Tomoyuki; Ishida, Mai; Tominaga, Takumi; Takahashi, Kazuyuki; Sakurai, Takahiro; Ohta, Hitoshi","Paramagnetic ionic plastic crystals containing the octamethylferrocenium cation: counteranion dependence of phase transitions and crystal structures","Phys. Chem. Chem. Phys.","2017","","","","","10.1039/C7CP02746J","","","0.71073","","","0.0484","0.043","","","0.1202","0.1261","","","","","","1.039","","","","has coordinates","196937","2020-10-21","18:00:00",""
"7228298","8.917","0.002","14.441","0.004","19.074","0.005","90","","102.995","0.003","90","","2393.3","1.1","100","2","100","2","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C21 H26 F6 Fe N O4 S2 -","- C21 H26 F6 Fe N O4 S2 -","- C84 H104 F24 Fe4 N4 O16 S8 -","4","1","","Mochida, Tomoyuki; Ishida, Mai; Tominaga, Takumi; Takahashi, Kazuyuki; Sakurai, Takahiro; Ohta, Hitoshi","Paramagnetic ionic plastic crystals containing the octamethylferrocenium cation: counteranion dependence of phase transitions and crystal structures","Phys. Chem. Chem. Phys.","2017","","","","","10.1039/C7CP02746J","","","0.71073","","","0.0271","0.026","","","0.0723","0.0734","","","","","","1.047","","","","has coordinates","196937","2020-10-21","18:00:00",""
"7228299","9.064","0.005","15.866","0.009","16.381","0.01","70.651","0.007","89.289","0.008","86.092","0.007","2217","2","100","2","100","2","","","","","","","","4","P -1","-P 1","2","","","","- C18 H26 Cl4 Fe2 -","- C18 H26 Cl4 Fe2 -","- C72 H104 Cl16 Fe8 -","4","2","","Mochida, Tomoyuki; Ishida, Mai; Tominaga, Takumi; Takahashi, Kazuyuki; Sakurai, Takahiro; Ohta, Hitoshi","Paramagnetic ionic plastic crystals containing the octamethylferrocenium cation: counteranion dependence of phase transitions and crystal structures","Phys. Chem. Chem. Phys.","2017","","","","","10.1039/C7CP02746J","","","0.71073","MoKα","","0.1067","0.0988","","","0.2648","0.2694","","","","","","1.159","","","","has coordinates","196937","2020-10-21","18:00:00",""
"7228300","19.357","0.002","19.357","0.002","23.627","0.003","90","","90","","90","","8852.9","1.7","100","2","100","2","","","","","","","","5","I 41/a c d","-I 4bd 2c","142","","Octamethylferrocenium tetracyanoborate","","- C22 H26 B Fe N4 -","- C22 H26 B Fe N4 -","- C352 H416 B16 Fe16 N64 -","16","","","Mochida, Tomoyuki; Ishida, Mai; Tominaga, Takumi; Takahashi, Kazuyuki; Sakurai, Takahiro; Ohta, Hitoshi","Paramagnetic ionic plastic crystals containing the octamethylferrocenium cation: counteranion dependence of phase transitions and crystal structures","Phys. Chem. Chem. Phys.","2017","","","","","10.1039/C7CP02746J","","","0.71073","MoKα","","0.0366","0.032","","","0.0866","0.0924","","","","","","1.069","","","","has coordinates","196937","2020-10-21","18:00:00",""
"7228301","16.36","0.015","7.436","0.007","16.53","0.015","90","","114.611","0.011","90","","1828","3","100","2","100","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C20 H26 Fe N3 -","- C20 H26 Fe N3 -","- C80 H104 Fe4 N12 -","4","1","","Mochida, Tomoyuki; Ishida, Mai; Tominaga, Takumi; Takahashi, Kazuyuki; Sakurai, Takahiro; Ohta, Hitoshi","Paramagnetic ionic plastic crystals containing the octamethylferrocenium cation: counteranion dependence of phase transitions and crystal structures","Phys. Chem. Chem. Phys.","2017","","","","","10.1039/C7CP02746J","","","0.71073","MoKα","","0.0968","0.0528","","","0.1233","0.1445","","","","","","1.051","","","","has coordinates","196937","2020-10-21","18:00:00",""
"7228302","19.713","0.004","12.146","0.003","17.155","0.004","90","","90","","90","","4107.5","1.6","100","2","100","2","","","","","","","","7","P c a 21","P 2c -2ac","29","","","","- C18 H26 F2 Fe N O4 S2 -","- C18 H26 F2 Fe N O4 S2 -","- C144 H208 F16 Fe8 N8 O32 S16 -","8","2","","Mochida, Tomoyuki; Ishida, Mai; Tominaga, Takumi; Takahashi, Kazuyuki; Sakurai, Takahiro; Ohta, Hitoshi","Paramagnetic ionic plastic crystals containing the octamethylferrocenium cation: counteranion dependence of phase transitions and crystal structures","Phys. Chem. Chem. Phys.","2017","","","","","10.1039/C7CP02746J","","","0.71073","MoKα","","0.0988","0.0883","","","0.2039","0.2107","","","","","","1.077","","","","has coordinates,has disorder","196937","2020-10-21","18:00:00",""
"7228303","7.3025","0.0018","13.588","0.003","9.39","0.002","90","","100.099","0.003","90","","917.3","0.4","100","2","100","2","","","","","","","","4","P 1 n 1","P -2yac","7","","","","- C20 H26 Fe N3 -","- C20 H26 Fe N3 -","- C40 H52 Fe2 N6 -","2","1","","Mochida, Tomoyuki; Ishida, Mai; Tominaga, Takumi; Takahashi, Kazuyuki; Sakurai, Takahiro; Ohta, Hitoshi","Paramagnetic ionic plastic crystals containing the octamethylferrocenium cation: counteranion dependence of phase transitions and crystal structures","Phys. Chem. Chem. Phys.","2017","","","","","10.1039/C7CP02746J","","","0.71073","MoKα","","0.0192","0.019","","","0.0496","0.0497","","","","","","1.073","","","","has coordinates","196937","2020-10-21","18:00:00",""
"7228304","13.1762","0.0012","12.932","0.0011","23.471","0.002","90","","96.317","0.001","90","","3975","0.6","298","2","298","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C47 H49 Al N2 O -","- C47 H49 Al N2 O -","- C188 H196 Al4 N8 O4 -","4","1","","Zheng, Xiang-Xin; Wang, Zhong-Xia","Synthesis of aluminum complexes supported by 2-(1,10-phenanthrolin-2-yl)phenolate ligands and their catalysis in the ring-opening polymerization of cyclic esters","RSC Adv.","2017","7","44","27177","","10.1039/C7RA03831C","","","0.71073","MoKα","","0.1763","0.0596","","","0.0853","0.098","","","","","","1.019","","","","has coordinates,has disorder","196938","2020-10-21","18:00:00",""
"7228305","8.2108","0.0018","27.415","0.006","14.553","0.003","90","","100.989","0.003","90","","3215.8","1.2","296","2","296","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","3k","Tetraethyl?2,2'-(2-(4-(4-methoxyphenyl)quinazolin-2-yl)-1,3-phenylene)dimalonate","","- C35 H36 N2 O9 -","- C35 H36 N2 O9 -","- C140 H144 N8 O36 -","4","1","","Zhang, Zhipeng; Jiang, Xin; Deng, Zhihong; Wang, Heng; Huang, Jian; Peng, Yiyuan","Rhodium-catalyzed malonation of 2-arylquinazolines with 2-diazomalonates: double C‒H functionalization","RSC Adv.","2017","7","44","27603","","10.1039/C7RA01131H","","","0.71073","MoKα","","0.1227","0.0531","","","0.1207","0.1513","","","","","","1.001","","","","has coordinates,has disorder","196939","2020-10-21","18:00:00",""
"7228306","8.2171","0.0007","23.4947","0.0019","16.1341","0.0013","90","","90.979","0.001","90","","3114.4","0.4","296","2","296","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","3a","Tetraethyl 2,2'-(2-(4-phenylquinazolin-2-yl)-1,3-phenylene)dimalonate","","- C34 H34 N2 O8 -","- C34 H34 N2 O8 -","- C136 H136 N8 O32 -","4","1","","Zhang, Zhipeng; Jiang, Xin; Deng, Zhihong; Wang, Heng; Huang, Jian; Peng, Yiyuan","Rhodium-catalyzed malonation of 2-arylquinazolines with 2-diazomalonates: double C‒H functionalization","RSC Adv.","2017","7","44","27603","","10.1039/C7RA01131H","","","0.71073","MoKα","","0.0701","0.0466","","","0.1188","0.1361","","","","","","1.002","","","","has coordinates","196939","2020-10-21","18:00:00",""
"7228307","11.9557","0.0004","13.5378","0.0005","9.0424","0.0003","90","","99.981","0.002","90","","1441.4","0.09","90","2","90","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","5-(2,6-dichlorobenzyl)-1,3,4-oxadiazole-2(3H)-thione, dimethyl sulfoxide solvate","","- C11 H12 Cl2 N2 O2 S2 -","- C11 H12 Cl2 N2 O2 S2 -","- C44 H48 Cl8 N8 O8 S8 -","4","1","","shukla, rahul; Khan, Imtiaz; Ibrar, Aliya; Simpson, Jim; Chopra, Deepak","Complex Electronic interplay of -hole and π-hole interactions in crystals of halogen substituted 1,3,4-oxadiazol-2(3H)-thiones","CrystEngComm","2017","","","","","10.1039/C7CE00678K","","","0.71073","MoKα","","0.0382","0.0292","","","0.0731","0.0778","","","","","","1.077","","","","has coordinates","196955","2020-10-21","18:00:00",""
"7228308","12.786","0.0005","12.8784","0.0005","13.352","0.0006","90","","116.878","0.002","90","","1961.07","0.14","91","2","91","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C9 H7 Cl N2 O S -","- C9 H7 Cl N2 O S -","- C72 H56 Cl8 N16 O8 S8 -","8","2","","shukla, rahul; Khan, Imtiaz; Ibrar, Aliya; Simpson, Jim; Chopra, Deepak","Complex Electronic interplay of -hole and π-hole interactions in crystals of halogen substituted 1,3,4-oxadiazol-2(3H)-thiones","CrystEngComm","2017","","","","","10.1039/C7CE00678K","","","0.71073","MoKα","","0.0535","0.0413","","","0.1104","0.116","","","","","","1.1","","","","has coordinates","196955","2020-10-21","18:00:00",""
"7228309","4.7154","0.0004","11.7528","0.0009","17.8887","0.0016","90","","90.015","0.004","90","","991.38","0.14","92","2","92","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C9 H7 Br N2 O S -","- C9 H7 Br N2 O S -","- C36 H28 Br4 N8 O4 S4 -","4","1","","shukla, rahul; Khan, Imtiaz; Ibrar, Aliya; Simpson, Jim; Chopra, Deepak","Complex Electronic interplay of -hole and π-hole interactions in crystals of halogen substituted 1,3,4-oxadiazol-2(3H)-thiones","CrystEngComm","2017","","","","","10.1039/C7CE00678K","","","0.71073","MoKα","","0.0471","0.0275","","","0.0595","0.062","","","","","","0.924","","","","has coordinates","196955","2020-10-21","18:00:00",""
"7228310","4.8187","0.0003","9.755","0.0006","20.3555","0.0013","90","","90","","90","","956.84","0.1","93","2","93","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C9 H7 Cl N2 O S -","- C9 H7 Cl N2 O S -","- C36 H28 Cl4 N8 O4 S4 -","4","1","","shukla, rahul; Khan, Imtiaz; Ibrar, Aliya; Simpson, Jim; Chopra, Deepak","Complex Electronic interplay of -hole and π-hole interactions in crystals of halogen substituted 1,3,4-oxadiazol-2(3H)-thiones","CrystEngComm","2017","","","","","10.1039/C7CE00678K","","","0.71073","MoKα","","0.0297","0.0264","","","0.0661","0.0677","","","","","","1.056","","","","has coordinates","196955","2020-10-21","18:00:00",""
"7228311","8.481","0.005","16.522","0.006","8.732","0.005","90","","104.838","0.005","90","","1182.8","1.1","296","2","296","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C9 H7 Cl5 O -","- C9 H7 Cl5 O -","- C36 H28 Cl20 O4 -","4","1","","Singh, Swatantra P.; Bose, Purnendu","Reductive dechlorination of endosulfan isomers and its metabolites by zero-valent metals: reaction mechanism and degradation products","RSC Adv.","2017","7","44","27668","","10.1039/C7RA02430D","","","0.71073","MoKα","","0.1716","0.0723","","","0.1235","0.1566","","","","","","1.0681","","","","has coordinates","196972","2020-10-21","18:00:00",""
"7228312","6.9","0.0014","9.831","0.002","10.739","0.002","96.01","0.03","106.05","0.03","102.06","0.03","674.3","0.3","293","2","293","2","","","","","","","","6","P -1","-P 1","2","","","","- C9 H10 Cl N4 O5 S -","- C9 H10 Cl N4 O5 S -","- C18 H20 Cl2 N8 O10 S2 -","2","1","","Luo, Yang-Hui; Wang, Jin-Wen; Li, Yao-Jia; Chen, Chen; An, Pei-Jing; Wang, Senlin; You, Chao-Qun; Sun, Baiwang","Selective separation of aqueous sulfate anions via crystallization of sulfate-water clusters","CrystEngComm","2017","","","","","10.1039/C7CE00693D","","","0.71073","MoKα","","0.1113","0.0746","","","0.1681","0.1884","","","","","","1.002","","","","has coordinates","196985","2020-10-21","18:00:00",""
"7228313","6.77","0.0014","20.084","0.004","16.848","0.003","90","","101.5","0.03","90","","2244.8","0.8","293","2","293","2","","","","","","","","5","C 1 c 1","C -2yc","9","","","","- C18 H22 N8 O8 S -","- C18 H22 N8 O8 S -","- C72 H88 N32 O32 S4 -","4","1","","Luo, Yang-Hui; Wang, Jin-Wen; Li, Yao-Jia; Chen, Chen; An, Pei-Jing; Wang, Senlin; You, Chao-Qun; Sun, Baiwang","Selective separation of aqueous sulfate anions via crystallization of sulfate-water clusters","CrystEngComm","2017","","","","","10.1039/C7CE00693D","","","0.71073","MoKα","","0.1002","0.0548","","","0.1059","0.1243","","","","","","1.002","","","","has coordinates","196985","2020-10-21","18:00:00",""
"7228314","7.144","0.0014","18.168","0.004","9.376","0.0019","90","","104.84","0.03","90","","1176.3","0.5","293","2","293","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C9 H11 N5 O5 -","- C9 H11 N5 O5 -","- C36 H44 N20 O20 -","4","1","","Luo, Yang-Hui; Wang, Jin-Wen; Li, Yao-Jia; Chen, Chen; An, Pei-Jing; Wang, Senlin; You, Chao-Qun; Sun, Baiwang","Selective separation of aqueous sulfate anions via crystallization of sulfate-water clusters","CrystEngComm","2017","","","","","10.1039/C7CE00693D","","","0.71073","MoKα","","0.1022","0.0661","","","0.1644","0.1848","","","","","","1.004","","","","has coordinates","196985","2020-10-21","18:00:00",""
"7228315","7.0119","0.0014","20.686","0.004","16.829","0.003","90","","90","","90","","2441","0.8","293","2","293","2","","","","","","","","5","P b c n","-P 2n 2ab","60","","","","- C20 H24 N8 O9 S -","- C20 H24 N8 O9 S -","- C80 H96 N32 O36 S4 -","4","0.5","","Luo, Yang-Hui; Wang, Jin-Wen; Li, Yao-Jia; Chen, Chen; An, Pei-Jing; Wang, Senlin; You, Chao-Qun; Sun, Baiwang","Selective separation of aqueous sulfate anions via crystallization of sulfate-water clusters","CrystEngComm","2017","","","","","10.1039/C7CE00693D","","","0.71073","MoKα","","0.1396","0.0891","","","0.2198","0.2496","","","","","","1.094","","","","has coordinates","196985","2020-10-21","18:00:00",""
"7228316","8.8062","0.0018","17.518","0.004","8.1176","0.0016","90","","103.15","0.03","90","","1219.4","0.5","293","2","293","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C10 H11 N5 O5 -","- C10 H11 N5 O5 -","- C40 H44 N20 O20 -","4","1","","Luo, Yang-Hui; Wang, Jin-Wen; Li, Yao-Jia; Chen, Chen; An, Pei-Jing; Wang, Senlin; You, Chao-Qun; Sun, Baiwang","Selective separation of aqueous sulfate anions via crystallization of sulfate-water clusters","CrystEngComm","2017","","","","","10.1039/C7CE00693D","","","0.71073","MoKα","","0.1555","0.0875","","","0.1798","0.2043","","","","","","1.169","","","","has coordinates","196985","2020-10-21","18:00:00",""
"7228317","8.011","0.0016","11.071","0.002","13.968","0.003","100.75","0.03","91.99","0.03","108.46","0.03","1148.6","0.5","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C20 H21 Cl N8 O8 -","- C20 H21 Cl N8 O8 -","- C40 H42 Cl2 N16 O16 -","2","1","","Luo, Yang-Hui; Wang, Jin-Wen; Li, Yao-Jia; Chen, Chen; An, Pei-Jing; Wang, Senlin; You, Chao-Qun; Sun, Baiwang","Selective separation of aqueous sulfate anions via crystallization of sulfate-water clusters","CrystEngComm","2017","","","","","10.1039/C7CE00693D","","","0.71073","MoKα","","0.0863","0.0581","","","0.1522","0.1712","","","","","","1.059","","","","has coordinates","196985","2020-10-21","18:00:00",""
"7228318","7.187","0.0014","16.366","0.003","10.661","0.002","90","","95.43","0.03","90","","1248.3","0.4","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C9 H9 Cl N4 O5 -","- C9 H9 Cl N4 O5 -","- C36 H36 Cl4 N16 O20 -","4","1","","Luo, Yang-Hui; Wang, Jin-Wen; Li, Yao-Jia; Chen, Chen; An, Pei-Jing; Wang, Senlin; You, Chao-Qun; Sun, Baiwang","Selective separation of aqueous sulfate anions via crystallization of sulfate-water clusters","CrystEngComm","2017","","","","","10.1039/C7CE00693D","","","0.71073","MoKα","","0.215","0.0904","","","0.1664","0.2116","","","","","","0.973","","","","has coordinates","196985","2020-10-21","18:00:00",""
"7228319","6.867","0.0014","9.843","0.002","10.687","0.002","96.32","0.03","105.85","0.03","99.25","0.03","676.8","0.3","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C10 H13 N4 O5 S -","- C10 H13 N4 O5 S -","- C20 H26 N8 O10 S2 -","2","1","","Luo, Yang-Hui; Wang, Jin-Wen; Li, Yao-Jia; Chen, Chen; An, Pei-Jing; Wang, Senlin; You, Chao-Qun; Sun, Baiwang","Selective separation of aqueous sulfate anions via crystallization of sulfate-water clusters","CrystEngComm","2017","","","","","10.1039/C7CE00693D","","","0.71073","MoKα","","0.098","0.0643","","","0.1696","0.1923","","","","","","1.113","","","","has coordinates","196985","2020-10-21","18:00:00",""
"7228320","22.736","0.001","21.619","0.002","14.974","0.001","90","","121.769","0.002","90","","6257.4","0.8","100","2","100","2","","","","","","","","7","C 1 2 1","C 2y","5","","","","- C63 H71 Br0.5 Na0.5 O13 P3 S -","- C63 H69 Br0.5 Na0.5 O13 P3 S -","- C252 H276 Br2 Na2 O52 P12 S4 -","4","1","","Pinalli, Roberta; Brancatelli, Giovanna; Nicosia, Carlo; Barboza, Tahnie; Guy, Laure; Dutasta, Jean-Pierre; De Zorzi, Rita; Demitri, Nicola; Dalcanale, Enrico; Geremia, Silvano","Enantiospecific recognition of 2-butanol by an inherently chiral cavitand in the solid state","CrystEngComm","2017","","","","","10.1039/C7CE00557A","","","0.7","","","0.0824","0.062","","","0.165","0.1825","","","","","","1.02","","","","has coordinates,has disorder","197009","2020-10-21","18:00:00",""
"7228321","24.15","0.005","15.847","0.003","31.397","0.006","90","","96.99","0.03","90","","11926","4","100","2","100","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C65.8 H78 O13.7 P3 S -","- C61 H66 O12.5 P3 S -","- C488 H528 O100 P24 S8 -","8","2","","Pinalli, Roberta; Brancatelli, Giovanna; Nicosia, Carlo; Barboza, Tahnie; Guy, Laure; Dutasta, Jean-Pierre; De Zorzi, Rita; Demitri, Nicola; Dalcanale, Enrico; Geremia, Silvano","Enantiospecific recognition of 2-butanol by an inherently chiral cavitand in the solid state","CrystEngComm","2017","","","","","10.1039/C7CE00557A","","","1.54178","Synchrotron","","0.1112","0.1031","","","0.2556","0.2622","","","","","","1.042","","","","has coordinates","197009","2020-10-21","18:00:00",""
"7228322","24.1722","0.001","24.1722","0.001","24.1722","0.001","90","","90","","90","","14123.7","1","100","","100","","","","","","","","","4","F 2 3","F 2 2 3","196","","","","- C133.5 H176.84 N24 O11.92 -","- C133.5 H120 N24 O11.916 -","- C534 H480 N96 O47.664 -","4","0.0833333","","Tothadi, Srinu; Little, Marc A.; Hasell, Tom; Briggs, Michael E.; Chong, Samantha Y.; Liu, Ming; Cooper, Andrew I.","Modular assembly of porous organic cage crystals: isoreticular quasiracemates and ternary co-crystal","CrystEngComm","2017","","","","","10.1039/C7CE00783C","","x-ray","0.7749","","","0.1038","0.0941","","","0.2252","0.2475","","","","","","2.259","","","","has coordinates,has disorder","197010","2020-10-21","18:00:00",""
"7228323","24.586","0.003","24.586","0.003","24.586","0.003","90","","90","","90","","14862","3","400","2","400","2","","","","","","","","3","F 2 3","F 2 2 3","196","","","","- C126 H156 N24 -","- C126 H156 N24 -","- C504 H624 N96 -","4","0.0833333","","Tothadi, Srinu; Little, Marc A.; Hasell, Tom; Briggs, Michael E.; Chong, Samantha Y.; Liu, Ming; Cooper, Andrew I.","Modular assembly of porous organic cage crystals: isoreticular quasiracemates and ternary co-crystal","CrystEngComm","2017","","","","","10.1039/C7CE00783C","","x-ray","0.71073","MoKα","","0.0708","0.0491","","","0.1444","0.1655","","","","","","1.059","","","","has coordinates","197010","2020-10-21","18:00:00",""
"7228324","17.9772","0.0018","9.026","0.001","27.903","0.003","90","","103.161","0.008","90","","4408.7","0.8","120","2","120","2","","","","","","","","7","P 1 n 1","P -2yac","7","","","","- C62 H120 Cd2 N6 O14 S4 Si4 -","- C62 H120 Cd2 N6 O14 S4 Si4 -","- C124 H240 Cd4 N12 O28 S8 Si8 -","2","1","","Kowalkowska, Daria; Dołęga, Anna; Nedelko, Natalia; Hnatejko, Zbigniew; Ponikiewski, Łukasz; Matracka, Alicja; Ślawska-Waniewska, Anna; Strągowska, Alicja; Słowy, Klaudia; Gazda, Maria; Pladzyk, Agnieszka","Structural, spectral and magnetic properties of Ni(II), Co(II) and Cd(II) compounds with imidazole derivatives and silanethiolate ligands","CrystEngComm","2017","","","","","10.1039/C7CE00555E","","","0.71073","MoKα","","0.0375","0.0338","","","0.0783","0.0799","","","","","","1.048","","","","has coordinates,has disorder","197011","2020-10-21","18:00:00",""
"7228325","14.0403","0.0007","16.2198","0.0008","18.3694","0.0009","87.591","0.004","78.654","0.004","88.153","0.004","4096.7","0.4","293","2","293","2","","","","","","","","6","P -1","-P 1","2","","","","- C49 H65 Cl27 N8 Ni2 O8 -","- C49 H65 Cl27 N8 Ni2 O8 -","- C98 H130 Cl54 N16 Ni4 O16 -","2","1","","Kowalkowska, Daria; Dołęga, Anna; Nedelko, Natalia; Hnatejko, Zbigniew; Ponikiewski, Łukasz; Matracka, Alicja; Ślawska-Waniewska, Anna; Strągowska, Alicja; Słowy, Klaudia; Gazda, Maria; Pladzyk, Agnieszka","Structural, spectral and magnetic properties of Ni(II), Co(II) and Cd(II) compounds with imidazole derivatives and silanethiolate ligands","CrystEngComm","2017","","","","","10.1039/C7CE00555E","","","0.71073","MoKα","","0.1368","0.0867","","","0.2129","0.2788","","","","","","1.056","","","","has coordinates","197011","2020-10-21","18:00:00",""
"7228326","9.592","0.003","33.01","0.008","14.296","0.004","90","","103.94","0.02","90","","4393","2","120","2","120","2","","","","","","","","7","P 1 21/a 1","-P 2yab","14","","","","- C30 H62 Co N3 O6 S2 Si2 -","- C30 H62 Co N3 O6 S2 Si2 -","- C120 H248 Co4 N12 O24 S8 Si8 -","4","1","","Kowalkowska, Daria; Dołęga, Anna; Nedelko, Natalia; Hnatejko, Zbigniew; Ponikiewski, Łukasz; Matracka, Alicja; Ślawska-Waniewska, Anna; Strągowska, Alicja; Słowy, Klaudia; Gazda, Maria; Pladzyk, Agnieszka","Structural, spectral and magnetic properties of Ni(II), Co(II) and Cd(II) compounds with imidazole derivatives and silanethiolate ligands","CrystEngComm","2017","","","","","10.1039/C7CE00555E","","","0.71073","MoKα","","0.1354","0.0618","","","0.1281","0.157","","","","","","0.955","","","","has coordinates,has disorder","197011","2020-10-21","18:00:00",""
"7228327","10.011","0.0003","28.3797","0.0013","18.2009","0.0007","90","","99.872","0.003","90","","5094.5","0.3","293","2","293","2","","","","","","","","8","P 1 21/n 1","-P 2yn","14","","","","- C35 H69 Cd Cl3 N4 O6 S2 Si2 -","- C35 H69 Cd Cl3 N4 O6 S2 Si2 -","- C140 H276 Cd4 Cl12 N16 O24 S8 Si8 -","4","1","","Kowalkowska, Daria; Dołęga, Anna; Nedelko, Natalia; Hnatejko, Zbigniew; Ponikiewski, Łukasz; Matracka, Alicja; Ślawska-Waniewska, Anna; Strągowska, Alicja; Słowy, Klaudia; Gazda, Maria; Pladzyk, Agnieszka","Structural, spectral and magnetic properties of Ni(II), Co(II) and Cd(II) compounds with imidazole derivatives and silanethiolate ligands","CrystEngComm","2017","","","","","10.1039/C7CE00555E","","","0.71073","MoKα","","0.0957","0.0539","","","0.126","0.1376","","","","","","0.92","","","","has coordinates","197011","2020-10-21","18:00:00",""
"7228328","11.947","0.007","15.36","0.014","15.374","0.017","90.85","0.08","112.01","0.07","92.77","0.06","2611","4","120","2","120","2","","","","","","","","7","P -1","-P 1","2","","","","- C74 H160 Co2 N8 O18 S4 Si4 -","- C74 H160 Co2 N8 O18 S4 Si4 -","- C74 H160 Co2 N8 O18 S4 Si4 -","1","0.5","","Kowalkowska, Daria; Dołęga, Anna; Nedelko, Natalia; Hnatejko, Zbigniew; Ponikiewski, Łukasz; Matracka, Alicja; Ślawska-Waniewska, Anna; Strągowska, Alicja; Słowy, Klaudia; Gazda, Maria; Pladzyk, Agnieszka","Structural, spectral and magnetic properties of Ni(II), Co(II) and Cd(II) compounds with imidazole derivatives and silanethiolate ligands","CrystEngComm","2017","","","","","10.1039/C7CE00555E","","","0.71073","MoKα","","0.1406","0.0671","","","0.1485","0.18","","","","","","0.913","","","","has coordinates","197011","2020-10-21","18:00:00",""
"7228329","14.3711","0.0016","32.952","0.005","9.537","0.0011","90","","103.618","0.009","90","","4389.3","1","120","2","120","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C30 H65 N3 Ni O6 S2 Si2 -","- C30 H65 N3 Ni O6 S2 Si2 -","- C120 H260 N12 Ni4 O24 S8 Si8 -","4","1","","Kowalkowska, Daria; Dołęga, Anna; Nedelko, Natalia; Hnatejko, Zbigniew; Ponikiewski, Łukasz; Matracka, Alicja; Ślawska-Waniewska, Anna; Strągowska, Alicja; Słowy, Klaudia; Gazda, Maria; Pladzyk, Agnieszka","Structural, spectral and magnetic properties of Ni(II), Co(II) and Cd(II) compounds with imidazole derivatives and silanethiolate ligands","CrystEngComm","2017","","","","","10.1039/C7CE00555E","","","0.71073","MoKα","","0.0834","0.0518","","","0.1492","0.2048","","","","","","1.061","","","","has coordinates,has disorder","197011","2020-10-21","18:00:00",""
"7228330","9.4992","0.0007","12.0176","0.0009","14.7148","0.0011","90","","107.666","0.002","90","","1600.6","0.2","296","2","296","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C19 H17 N O3 -","- C19 H17 N O3 -","- C76 H68 N4 O12 -","4","1","","Upadhyay, Nitinkumar Satyadev; Thorat, Vijaykumar Haridas; Sato, Ryota; Annamalai, Pratheepkumar; Chuang, Shih-Ching; Cheng, Chien Hong","Synthesis of Isoquinolones via Rh-Catalyzed C‒H Activation of Substituted Benzamides Using Air as the Sole Oxidant in Water.","Green Chem.","2017","","","","","10.1039/C7GC01221G","","","0.71073","MoKα","","0.1079","0.0588","","","0.1424","0.169","","","","","","1.03","","","","has coordinates","197016","2020-10-21","18:00:00",""
"7228331","10.0712","0.0006","9.0247","0.0005","19.0587","0.0009","90","","99.811","0.003","90","","1706.9","0.16","100","2","100","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C20 H22 N2 O2 -","- C20 H22 N2 O2 -","- C80 H88 N8 O8 -","4","1","","Upadhyay, Nitinkumar Satyadev; Thorat, Vijaykumar Haridas; Sato, Ryota; Annamalai, Pratheepkumar; Chuang, Shih-Ching; Cheng, Chien Hong","Synthesis of Isoquinolones via Rh-Catalyzed C‒H Activation of Substituted Benzamides Using Air as the Sole Oxidant in Water.","Green Chem.","2017","","","","","10.1039/C7GC01221G","","","0.71073","MoKα","","0.0539","0.0424","","","0.1059","0.1133","","","","","","1.076","","","","has coordinates","197016","2020-10-21","18:00:00",""
"7228332","9.3178","0.0012","9.5222","0.0012","10.9385","0.0014","68.404","0.003","66.038","0.003","66.642","0.003","789.02","0.18","100","2","100","2","","","","","","","","4","P -1","-P 1","2","","","","- C22 H17 N O -","- C22 H17 N O -","- C44 H34 N2 O2 -","2","1","","Upadhyay, Nitinkumar Satyadev; Thorat, Vijaykumar Haridas; Sato, Ryota; Annamalai, Pratheepkumar; Chuang, Shih-Ching; Cheng, Chien Hong","Synthesis of Isoquinolones via Rh-Catalyzed C‒H Activation of Substituted Benzamides Using Air as the Sole Oxidant in Water.","Green Chem.","2017","","","","","10.1039/C7GC01221G","","","0.71073","MoKα","","0.0422","0.0354","","","0.0897","0.0944","","","","","","1.043","","","","has coordinates","197016","2020-10-21","18:00:00",""
"7228333","5.3385","0.0002","8.1763","0.0003","6.3716","0.0002","90","","90","","90","","278.115","0.017","298","","298","","","","","","","","","4","C m c m","-C 2c 2","63","lithium cobalt phosphate","","","- Co0.96 Li0.39 O4 P -","- Co0.964 Li0.39 O4 P -","- Co3.856 Li1.56 O16 P4 -","4","0.25","","Ludwig, Jennifer; Alarcón-Suesca, Carlos; Geprägs, Stephan; Nordlund, Dennis; Doeff, Marca M.; Orench, Inés Puente; Nilges, Tom","Direct synthesis and characterization of mixed-valent Li0.5−δCoPO4, a Li-deficient derivative of the Cmcm polymorph of LiCoPO4","RSC Adv.","2017","7","45","28069","","10.1039/C7RA04043A","powder diffraction","x-ray","0.7093","MoKα1","","0.0143","0.0143","","0.0172","0.0172","","","","1.23","","","","","","","has coordinates","197019","2020-10-21","18:00:00",""
"7228334","5.4432","0.0003","8.1695","0.0004","6.2128","0.0003","90","","90","","90","","276.27","0.02","298","","298","","","","","","","","","4","C m c m","-C 2c 2","63","lithium cobalt phosphate","","","- Co0.96 Li0.94 O4 P -","- Co0.955 Li0.94 O4 P -","- Co3.82 Li3.76 O16 P4 -","4","0.25","","Ludwig, Jennifer; Alarcón-Suesca, Carlos; Geprägs, Stephan; Nordlund, Dennis; Doeff, Marca M.; Orench, Inés Puente; Nilges, Tom","Direct synthesis and characterization of mixed-valent Li0.5−δCoPO4, a Li-deficient derivative of the Cmcm polymorph of LiCoPO4","RSC Adv.","2017","7","45","28069","","10.1039/C7RA04043A","powder diffraction","x-ray","0.7093","MoKα1","","0.0106","0.0106","","0.0121","0.0121","","","","1.01","","","","","","","has coordinates","197019","2020-10-21","18:00:00",""
"7228335","16.931","0.002","23.782","0.003","21.09","0.003","90","","98.98","0.003","90","","8387.9","1.9","100","","100","","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C81 H136 La Li N2 O6 Si2 -","- C77 H128 La1.0046 Li N2 O5 Si2 -","- C308 H512 La4.0184 Li4 N8 O20 Si8 -","4","1","","Motolko, Kelly S. A.; Emslie, David J. H.; Britten, James F.","Rigid NON-donor pincer ligand complexes of lutetium and lanthanum: synthesis and hydroamination catalysis","RSC Adv.","2017","7","45","27938","","10.1039/C7RA04432A","","","0.71073","MoKα","","0.1057","0.084","","","0.2367","0.257","","","","","","1.108","","","","has coordinates,has disorder","197020","2020-10-21","18:00:00",""
"7228336","22.663","0.0005","14.5298","0.0003","20.3925","0.0004","90","","113.688","0.0011","90","","6149.3","0.2","100","","100","","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C256 H384 Lu4 N8 O8 Si4 -","- C256 H384 Lu4 N8 O8 Si4 -","- C256 H384 Lu4 N8 O8 Si4 -","1","0.25","","Motolko, Kelly S. A.; Emslie, David J. H.; Britten, James F.","Rigid NON-donor pincer ligand complexes of lutetium and lanthanum: synthesis and hydroamination catalysis","RSC Adv.","2017","7","45","27938","","10.1039/C7RA04432A","","","0.71073","MoKα","","0.0405","0.0286","","","0.0652","0.0704","","","","","","1.071","","","","has coordinates,has disorder","197020","2020-10-21","18:00:00",""
"7228337","9.316","0.003","8.996","0.002","9.458","0.004","90","","104.88","0.04","90","","766.1","0.5","293","2","293","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C16 H19 N O4 -","- C16 H19 N O4 -","- C32 H38 N2 O8 -","2","1","","Guo, Yong; Yang, Ruige; Xu, Hui","Semisynthesis of esters and oxime esters/sulfonates from furyl-ring-based acetylation derivatives of fraxinellone as insecticidal agents","RSC Adv.","2017","7","45","28009","","10.1039/C7RA03588H","","","0.7107","MoKα","","0.0566","0.0462","","","0.1182","0.1302","","","","","","1.08","","","","has coordinates","197021","2020-10-21","18:00:00",""
"7228338","10.472","0.0007","17.0011","0.0011","17.1489","0.0008","90","","90","","90","","3053.1","0.3","293","2","293","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C16 H19 N O4 -","- C16 H19 N O4 -","- C128 H152 N8 O32 -","8","2","","Guo, Yong; Yang, Ruige; Xu, Hui","Semisynthesis of esters and oxime esters/sulfonates from furyl-ring-based acetylation derivatives of fraxinellone as insecticidal agents","RSC Adv.","2017","7","45","28009","","10.1039/C7RA03588H","","","0.7107","MoKα","","0.1362","0.0684","","","0.1173","0.1568","","","","","","1.073","","","","has coordinates","197021","2020-10-21","18:00:00",""
"7228339","5.7078","0.0004","17.242","0.0012","21.441","0.003","90","","90","","90","","2110.1","0.4","293","2","293","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C23 H22 F N O5 -","- C23 H22 F N O5 -","- C92 H88 F4 N4 O20 -","4","1","","Guo, Yong; Yang, Ruige; Xu, Hui","Semisynthesis of esters and oxime esters/sulfonates from furyl-ring-based acetylation derivatives of fraxinellone as insecticidal agents","RSC Adv.","2017","7","45","28009","","10.1039/C7RA03588H","","","0.71","MoKα","","0.1856","0.0739","","","0.1471","0.2147","","","","","","1.046","","","","has coordinates","197021","2020-10-21","18:00:00",""
"7228340","12.0929","0.0008","7.6383","0.0006","16.1738","0.0011","90","","93.513","0.006","90","","1491.15","0.18","293","2","293","2","","","","","","","","3","P 1 21 1","P 2yb","4","","","","- C16 H20 O4 -","- C16 H20 O4 -","- C64 H80 O16 -","4","2","","Guo, Yong; Yang, Ruige; Xu, Hui","Semisynthesis of esters and oxime esters/sulfonates from furyl-ring-based acetylation derivatives of fraxinellone as insecticidal agents","RSC Adv.","2017","7","45","28009","","10.1039/C7RA03588H","","","0.7107","MoKα","","0.1473","0.0781","","","0.1765","0.2357","","","","","","1.028","","","","has coordinates","197021","2020-10-21","18:00:00",""
"7228341","8.2307","0.0005","23.9115","0.0014","11.3903","0.001","90","","107.192","0.007","90","","2141.5","0.3","293","2","293","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C24 H25 N O5 -","- C24 H25 N O5 -","- C96 H100 N4 O20 -","4","2","","Guo, Yong; Yang, Ruige; Xu, Hui","Semisynthesis of esters and oxime esters/sulfonates from furyl-ring-based acetylation derivatives of fraxinellone as insecticidal agents","RSC Adv.","2017","7","45","28009","","10.1039/C7RA03588H","","","0.7107","MoKα","","0.0977","0.0618","","","0.153","0.1856","","","","","","0.964","","","","has coordinates","197021","2020-10-21","18:00:00",""
"7228342","7.0548","0.0003","10.8999","0.0004","13.8588","0.0005","73.194","0.002","85.062","0.001","86.312","0.002","1015.52","0.07","80","2","80","2","","","","","","","","6","P -1","-P 1","2","","","","- C19 H17 Br2 N4 O Si -","- C19 H17 Br2 N4 O Si -","- C38 H34 Br4 N8 O2 Si2 -","2","1","","Eusterwiemann, Steffen; Doerenkamp, Carsten; Dresselhaus, Thomas; Janka, Oliver; de Oliveira, Jr, Marcos; Daniliuc, Constantin Gabriel; Eckert, Helmut; Neugebauer, Johannes; Poettgen, Rainer; Studer, Armido","Strong Intermolecular Antiferromagnetic Verdazyl-Verdazyl Coupling in the Solid State","Phys. Chem. Chem. Phys.","2017","","","","","10.1039/C7CP02950K","","","0.71073","MoKα","","0.0284","0.0213","","","0.0462","0.0485","","","","","","1.042","","","","has coordinates","197066","2020-10-21","18:00:00",""
"7228343","7.1372","0.0001","10.9703","0.0003","13.9865","0.0004","72.911","0.001","86.154","0.001","86.504","0.002","1043.42","0.04","223","2","223","2","","","","","","","","6","P -1","-P 1","2","","","","- C19 H17 Br2 N4 O Si -","- C19 H17 Br2 N4 O Si -","- C38 H34 Br4 N8 O2 Si2 -","2","1","","Eusterwiemann, Steffen; Doerenkamp, Carsten; Dresselhaus, Thomas; Janka, Oliver; de Oliveira, Jr, Marcos; Daniliuc, Constantin Gabriel; Eckert, Helmut; Neugebauer, Johannes; Poettgen, Rainer; Studer, Armido","Strong Intermolecular Antiferromagnetic Verdazyl-Verdazyl Coupling in the Solid State","Phys. Chem. Chem. Phys.","2017","","","","","10.1039/C7CP02950K","","","0.71073","MoKα","","0.0758","0.0551","","","0.1075","0.1217","","","","","","1.079","","","","has coordinates","197066","2020-10-21","18:00:00",""
"7228344","7.1059","0.0005","10.9332","0.0008","13.9604","0.0011","72.976","0.003","85.718","0.003","86.366","0.004","1033.19","0.13","173","2","173","2","","","","","","","","6","P -1","-P 1","2","","","","- C19 H17 Br2 N4 O Si -","- C19 H17 Br2 N4 O Si -","- C38 H34 Br4 N8 O2 Si2 -","2","1","","Eusterwiemann, Steffen; Doerenkamp, Carsten; Dresselhaus, Thomas; Janka, Oliver; de Oliveira, Jr, Marcos; Daniliuc, Constantin Gabriel; Eckert, Helmut; Neugebauer, Johannes; Poettgen, Rainer; Studer, Armido","Strong Intermolecular Antiferromagnetic Verdazyl-Verdazyl Coupling in the Solid State","Phys. Chem. Chem. Phys.","2017","","","","","10.1039/C7CP02950K","","","0.71073","MoKα","","0.0735","0.0623","","","0.1571","0.1699","","","","","","1.084","","","","has coordinates","197066","2020-10-21","18:00:00",""
"7228345","7.0581","0.0002","10.8956","0.0003","13.8636","0.0004","73.168","0.001","85.182","0.001","86.352","0.001","1016","0.05","100","2","100","2","","","","","","","","6","P -1","-P 1","2","","","","- C19 H17 Br2 N4 O Si -","- C19 H17 Br2 N4 O Si -","- C38 H34 Br4 N8 O2 Si2 -","2","1","","Eusterwiemann, Steffen; Doerenkamp, Carsten; Dresselhaus, Thomas; Janka, Oliver; de Oliveira, Jr, Marcos; Daniliuc, Constantin Gabriel; Eckert, Helmut; Neugebauer, Johannes; Poettgen, Rainer; Studer, Armido","Strong Intermolecular Antiferromagnetic Verdazyl-Verdazyl Coupling in the Solid State","Phys. Chem. Chem. Phys.","2017","","","","","10.1039/C7CP02950K","","","1.54178","CuKα","","0.0372","0.0359","","","0.0861","0.0869","","","","","","1.091","","","","has coordinates","197066","2020-10-21","18:00:00",""
"7228346","11.4773","0.0005","14.9989","0.0004","21.0082","0.0007","90","","123.022","0.002","90","","3032.3","0.2","115","2","115","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C27 H53 N11 O -","- C27 H53 N11 O -","- C108 H212 N44 O4 -","4","1","","Sok, Nicolas; Baglin, Isabelle; Basset, Christelle; Fakkor, Fatima; Kohli, Evelyne; Rousselin, Yoann; Bernhard, Claire; Boschetti, Frédéric; Goze, Christine; Denat, Franck","Straightforward synthesis of bis-tetraazacycloalkanes: towards new potential CXCR4 antagonists?","RSC Adv.","2017","7","45","28291","","10.1039/C7RA04218C","","x-ray","0.71073","MoKα","","0.1071","0.0828","","","0.1885","0.2062","","","","","","1.047","","","","has coordinates","197067","2020-10-21","18:00:00",""
"7228347","13.2517","0.0005","12.3383","0.0004","12.0306","0.0004","90","","114.684","0.001","90","","1787.31","0.11","115","2","115","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C18 H27 N5 O -","- C18 H27 N5 O -","- C72 H108 N20 O4 -","4","1","","Sok, Nicolas; Baglin, Isabelle; Basset, Christelle; Fakkor, Fatima; Kohli, Evelyne; Rousselin, Yoann; Bernhard, Claire; Boschetti, Frédéric; Goze, Christine; Denat, Franck","Straightforward synthesis of bis-tetraazacycloalkanes: towards new potential CXCR4 antagonists?","RSC Adv.","2017","7","45","28291","","10.1039/C7RA04218C","","x-ray","0.71073","MoKα","","0.1066","0.0507","","","0.1009","0.118","","","","","","1.022","","","","has coordinates","197067","2020-10-21","18:00:00",""
"7228348","11.4792","0.0003","15.0992","0.0004","17.6024","0.0004","90","","90.372","0.001","90","","3050.9","0.13","115","2","115","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C28 H54 N10 O -","- C28 H54 N10 O -","- C112 H216 N40 O4 -","4","1","","Sok, Nicolas; Baglin, Isabelle; Basset, Christelle; Fakkor, Fatima; Kohli, Evelyne; Rousselin, Yoann; Bernhard, Claire; Boschetti, Frédéric; Goze, Christine; Denat, Franck","Straightforward synthesis of bis-tetraazacycloalkanes: towards new potential CXCR4 antagonists?","RSC Adv.","2017","7","45","28291","","10.1039/C7RA04218C","","x-ray","0.71073","MoKα","","0.1043","0.0713","","","0.1799","0.1991","","","","","","1.028","","","","has coordinates","197067","2020-10-21","18:00:00",""
"7228349","8.1315","0.0006","12.4851","0.0008","14.5014","0.0007","105.748","0.005","105.605","0.006","99.832","0.006","1316.7","0.16","298","2","298","2","","","","","","","","5","P -1","-P 1","2","","7-(4-Chlorophenyl)-3-iodo-2-methylpyrazolo[1,5-a]pyrimidine","","- C13 H9 Cl I N3 -","- C13 H9 Cl I N3 -","- C52 H36 Cl4 I4 N12 -","4","2","","Castillo, Juan-Carlos; Rosero, Hernán-Alejandro; Portilla, Jaime","Simple access toward 3-halo- and 3-nitro-pyrazolo[1,5-a]pyrimidines through a one-pot sequence","RSC Adv.","2017","7","45","28483","","10.1039/C7RA04336H","","","0.71073","MoKα","","0.0589","0.0368","","","0.0883","0.1068","","","","","","1.09","","","","has coordinates","197130","2020-10-21","18:00:00",""
"7228350","14.6829","0.0003","14.6829","0.0003","57.9972","0.0011","90","","90","","120","","10828.3","0.4","100","2","100","2","","","","","","","","3","R -3 :H","-R 3","148","","1,3,5-tris(2-(tert-Butyl)pyrazolo[1,5-a]pyrimidin-7-yl)benzene","","- C150 H162 N36 -","- C150 H162 N36 -","- C450 H486 N108 -","3","0.166667","","Castillo, Juan-Carlos; Rosero, Hernán-Alejandro; Portilla, Jaime","Simple access toward 3-halo- and 3-nitro-pyrazolo[1,5-a]pyrimidines through a one-pot sequence","RSC Adv.","2017","7","45","28483","","10.1039/C7RA04336H","","","0.7107","MoKα","","0.0727","0.0672","","","0.2033","0.2055","","","","","","1.19","","","","has coordinates","197130","2020-10-21","18:00:00",""
"7228351","13.565","0.0005","15.697","0.0006","15.8108","0.0006","111.329","0.002","98.629","0.002","114.913","0.002","2654.6","0.2","173","2","173","","","","","","","","","8","P -1","-P 1","2","","","","- C98 H118 Au2 Cl12 Cu6 F6 P S -","- C98 H118 Au2 Cl4 Cu6 F6 P2 S6 -","- C98 H118 Au2 Cl4 Cu6 F6 P2 S6 -","1","0.5","","Kang, Xi; Li, Xiaowu; Yu, Haizhu; Lv, Ying; Sun, Guodong; Li, Yangfeng; Wang, Shuxin; Zhu, Manzhou","Modulating photo-luminescence of Au2Cu6 nanoclusters via ligand-engineering","RSC Adv.","2017","7","46","28606","","10.1039/C7RA04743F","","","1.54178","CuKα","","0.08","0.067","","","0.1805","0.1928","","","","","","1.057","","","","has coordinates","197131","2020-10-21","18:00:00",""
"7228352","20.9938","0.0007","20.9938","0.0007","18.1449","0.0007","90","","90","","120","","6925.8","0.4","173","2","173","","","","","","","","","6","R -3","-R 3","148","","","","- C96 H120 Au2 Cu6 P2 S6 -","- C96 H120 Au2 Cu6 P2 S6 -","- C288 H360 Au6 Cu18 P6 S18 -","3","","","Kang, Xi; Li, Xiaowu; Yu, Haizhu; Lv, Ying; Sun, Guodong; Li, Yangfeng; Wang, Shuxin; Zhu, Manzhou","Modulating photo-luminescence of Au2Cu6 nanoclusters via ligand-engineering","RSC Adv.","2017","7","46","28606","","10.1039/C7RA04743F","","","1.54178","CuKα","","0.056","0.0473","","","0.1464","0.155","","","","","","0.916","","","","has coordinates","197131","2020-10-21","18:00:00",""
"7228353","12.5635","0.0008","12.9279","0.0009","13.137","0.0009","61.859","0.001","63.642","0.001","61.223","0.001","1582.83","0.19","293","2","293","2","","","","","","","","7","P -1","-P 1","2","","","","- C4 H72 N4 Na8 Nb10 Ni3 O60 -","- C4 H16 N4 Na8 Nb10 Ni3 O60 -","- C4 H16 N4 Na8 Nb10 Ni3 O60 -","1","0.5","","Li, Li; Niu, Yanjun; Dong, Kaili; Ma, Pengtao; Zhang, Chao; Niu, Jingyang; Wang, Jingping","A Ni-containing decaniobate incorporating organic ligands: synthesis, structure, and catalysis for allylic alcohol epoxidation","RSC Adv.","2017","7","46","28696","","10.1039/C7RA03254D","","","0.71073","MoKα","","0.0545","0.0411","","","0.0992","0.1077","","","","","","1.021","","","","has coordinates","197132","2020-10-21","18:00:00",""
"7228354","23.221","0.003","23.258","0.002","11.0477","0.0013","90","","109.205","0.004","90","","5634.5","1.1","293","2","293","2","","","","","","","","5","C 1 2/m 1","-C 2y","12","","","","- C37 H56.5 Dy5 N14.5 O30 -","- C32.5 H22 Dy5 N13.5 O29 -","- C130 H88 Dy20 N54 O116 -","4","0.5","","liu, feng; huang, hong; gao, wei; Zhang, Xiumei; liu, jie ping","3D Ln-MOFs containing pentanuclear clusters exhibiting magnetic refrigeration and slow magnetic relaxation","CrystEngComm","2017","","","","","10.1039/C7CE00698E","","","0.71073","MoKα","","0.0504","0.0437","","","0.1069","0.1101","","","","","","1.065","","","","has coordinates,has disorder","197136","2020-10-21","18:00:00",""
"7228355","23.543","0.003","23.351","0.002","11.2607","0.0013","90","","111.208","0.004","90","","5771.3","1.1","293","2","293","2","","","","","","","","5","C 1 2/m 1","-C 2y","12","","","","- C37 H56.5 Gd5 N14.5 O30 -","- C32.5 H19 Gd5 N13.5 O30 -","- C130 H76 Gd20 N54 O120 -","4","0.5","","liu, feng; huang, hong; gao, wei; Zhang, Xiumei; liu, jie ping","3D Ln-MOFs containing pentanuclear clusters exhibiting magnetic refrigeration and slow magnetic relaxation","CrystEngComm","2017","","","","","10.1039/C7CE00698E","","","0.71073","MoKα","","0.0561","0.0523","","","0.1195","0.1211","","","","","","1.07","","","","has coordinates,has disorder","197136","2020-10-21","18:00:00",""
"7228356","9.307","0.002","21.037","0.002","13.607","0.002","90","","101.561","0.003","90","","2610.1","0.7","173","2","173","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C29 H27 N7 O2 -","- C29 H27 N7 O2 -","- C116 H108 N28 O8 -","4","1","","Pitchaimani, J.; Kundu, Anu; Karthikeyan, Subramanian; Anthony, Philip Philip; Moon, Dohyun; Madhu, Vedichi","A Crab Claw Shaped Molecular Receptor for Selective Recognition of Picric Acid: Supramolecular Self-Assembly Mediated Aggregation Induced Emission and Color Change","CrystEngComm","2017","","","","","10.1039/C7CE00642J","","","0.61","synchrotron","","0.0594","0.042","","","0.112","0.1193","","","","","","1.008","","","","has coordinates","197137","2020-10-21","18:00:00",""
"7228357","10.689","0.002","21.09","0.003","15.168","0.002","90","","93.045","0.004","90","","3414.5","0.9","173","2","173","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C35 H30 N10 O9 -","- C35 H30 N10 O9 -","- C140 H120 N40 O36 -","4","1","","Pitchaimani, J.; Kundu, Anu; Karthikeyan, Subramanian; Anthony, Philip Philip; Moon, Dohyun; Madhu, Vedichi","A Crab Claw Shaped Molecular Receptor for Selective Recognition of Picric Acid: Supramolecular Self-Assembly Mediated Aggregation Induced Emission and Color Change","CrystEngComm","2017","","","","","10.1039/C7CE00642J","","","0.63","synchrotron","","0.1139","0.0629","","","0.1735","0.194","","","","","","0.992","","","","has coordinates,has disorder","197137","2020-10-21","18:00:00",""
"7228362","7.1454","0.0004","17.2601","0.0009","22.297","0.0011","90","","90","","90","","2749.9","0.3","100","2","100","2","","","","","","","","4","P b c n","-P 2n 2ab","60","([6]helicene)(F4TCNQ)","","","- C38 H16 F4 N4 -","- C38 H16 F4 N4 -","- C152 H64 F16 N16 -","4","0.5","","Yoshida, Yukihiro; Nakamura, Yuto; Kishida, Hideo; Hayama, Hiromi; Nakano, Yoshiaki; Yamochi, Hideki; Saito, Gunzi","Racemic Charge-Transfer Complexes of Helical Polycyclic Aromatic Hydrocarbon Molecule","CrystEngComm","2017","","","","","10.1039/C7CE00763A","","","0.71073","MoKα","","0.0375","0.0321","","","0.0871","0.0915","","","","","","1.045","","","","has coordinates","197184","2020-10-21","18:00:00",""
"7228363","8.2077","0.0005","33.788","0.0019","19.3173","0.0011","90","","92.882","0.001","90","","5350.3","0.5","100","2","100","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","([6]helicene)(TCNQ)","","","- C38 H20 N4 -","- C38 H20 N4 -","- C304 H160 N32 -","8","2","","Yoshida, Yukihiro; Nakamura, Yuto; Kishida, Hideo; Hayama, Hiromi; Nakano, Yoshiaki; Yamochi, Hideki; Saito, Gunzi","Racemic Charge-Transfer Complexes of Helical Polycyclic Aromatic Hydrocarbon Molecule","CrystEngComm","2017","","","","","10.1039/C7CE00763A","","","0.71073","MoKα","","0.0986","0.0482","","","0.0906","0.1045","","","","","","0.975","","","","has coordinates","197184","2020-10-21","18:00:00",""
"7228364","14.4593","0.0007","11.4032","0.0006","17.8273","0.0009","90","","102.652","0.001","90","","2868","0.3","100","2","100","2","","","","","","","","3","C 1 2/c 1","-C 2yc","15","([6]helicene)(Me2TCNQ)","","","- C40 H24 N4 -","- C40 H24 N4 -","- C160 H96 N16 -","4","0.5","","Yoshida, Yukihiro; Nakamura, Yuto; Kishida, Hideo; Hayama, Hiromi; Nakano, Yoshiaki; Yamochi, Hideki; Saito, Gunzi","Racemic Charge-Transfer Complexes of Helical Polycyclic Aromatic Hydrocarbon Molecule","CrystEngComm","2017","","","","","10.1039/C7CE00763A","","","0.71073","MoKα","","0.0372","0.0343","","","0.0981","0.1016","","","","","","1.096","","","","has coordinates","197184","2020-10-21","18:00:00",""
"7228365","8.3747","0.0004","16.7659","0.0008","19.2823","0.0009","90","","90.488","0.001","90","","2707.3","0.2","100","2","100","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","([6]helicene)(F2TCNQ)","","","- C38 H18 F2 N4 -","- C38 H18 F2 N4 -","- C152 H72 F8 N16 -","4","1","","Yoshida, Yukihiro; Nakamura, Yuto; Kishida, Hideo; Hayama, Hiromi; Nakano, Yoshiaki; Yamochi, Hideki; Saito, Gunzi","Racemic Charge-Transfer Complexes of Helical Polycyclic Aromatic Hydrocarbon Molecule","CrystEngComm","2017","","","","","10.1039/C7CE00763A","","","0.71073","MoKα","","0.0527","0.0391","","","0.0921","0.0991","","","","","","1.019","","","","has coordinates,has disorder","197184","2020-10-21","18:00:00",""
"7228366","7.3079","0.0003","12.9491","0.0006","17.4393","0.0008","90","","90","","90","","1650.29","0.13","100","2","100","2","","","","","","","","2","P 21 21 21","P 2ac 2ab","19","(M)-[6]helicene","","","- C26 H16 -","- C26 H16 -","- C104 H64 -","4","1","","Yoshida, Yukihiro; Nakamura, Yuto; Kishida, Hideo; Hayama, Hiromi; Nakano, Yoshiaki; Yamochi, Hideki; Saito, Gunzi","Racemic Charge-Transfer Complexes of Helical Polycyclic Aromatic Hydrocarbon Molecule","CrystEngComm","2017","","","","","10.1039/C7CE00763A","","","0.71073","MoKα","","0.0331","0.0294","","","0.0708","0.0724","","","","","","1.058","","","","has coordinates","197184","2020-10-21","18:00:00",""
"7228367","31.5024","0.0016","15.5709","0.0008","28.1201","0.0016","90","","114.798","0.002","90","","12521.6","1.2","150","2","150","2","","","","","","","","9","C 1 2/c 1","-C 2yc","15","","","","- C106 H92 B2 Cl4 Cu8 F8 K2 N32 S8 -","- C106 H92 B2 Cl4 Cu8 F8 K2 N32 S8 -","- C424 H368 B8 Cl16 Cu32 F32 K8 N128 S32 -","4","0.5","","Rice, Craig; Jewsbury, R. A.; Dunmore, Rachel Ellen; Bullock, Samantha; Faulkner, Robert Allan","A Structural Study of Dithizone Coordination Chemistry","CrystEngComm","2017","","","","","10.1039/C7CE00580F","","","0.71073","MoKα","","0.1723","0.0752","","","0.1708","0.2146","","","","","","0.981","","","","has coordinates,has disorder","197185","2020-10-21","18:00:00",""
"7228368","11.7453","0.0004","12.3139","0.0004","14.0203","0.0004","100.819","0.001","98.42","0.001","107.765","0.001","1851.22","0.1","100","2","100","2","","","","","","","","8","P -1","-P 1","2","","","","- C64 H68 Ag2 Cl2 Hg2 N16 O12 S4 -","- C64 H68 Ag2 Cl2 Hg2 N16 O12 S4 -","- C64 H68 Ag2 Cl2 Hg2 N16 O12 S4 -","1","0.5","","Rice, Craig; Jewsbury, R. A.; Dunmore, Rachel Ellen; Bullock, Samantha; Faulkner, Robert Allan","A Structural Study of Dithizone Coordination Chemistry","CrystEngComm","2017","","","","","10.1039/C7CE00580F","","","0.71073","MoKα","","0.0285","0.0216","","","0.0412","0.0428","","","","","","1.03","","","","has coordinates,has disorder","197185","2020-10-21","18:00:00",""
"7228369","21.7448","0.0019","5.326","0.0004","13.8216","0.0011","90","","106.577","0.002","90","","1534.2","0.2","150","2","150","2","","","","","","","","6","C 1 2 1","C 2y","5","","","","- C30 H28 Hg N10 O0 S2 -","- C30 H28 Hg N10 S2 -","- C60 H56 Hg2 N20 S4 -","2","0.5","","Rice, Craig; Jewsbury, R. A.; Dunmore, Rachel Ellen; Bullock, Samantha; Faulkner, Robert Allan","A Structural Study of Dithizone Coordination Chemistry","CrystEngComm","2017","","","","","10.1039/C7CE00580F","","","0.71073","MoKα","","0.0342","0.032","","","0.0542","0.0553","","","","","","0.815","","","","has coordinates","197185","2020-10-21","18:00:00",""
"7228370","31.5889","0.0019","15.6131","0.0009","28.325","0.003","90","","115.412","0.001","90","","12618.3","1.7","150","2","150","2","","","","","","","","8","C 1 2/c 1","-C 2yc","15","","","","- C106 H88 Cl6 Cu8 K2 N32 O8 S8 -","- C106 H88 Cl6 Cu8 K2 N32 O8 S8 -","- C424 H352 Cl24 Cu32 K8 N128 O32 S32 -","4","0.5","","Rice, Craig; Jewsbury, R. A.; Dunmore, Rachel Ellen; Bullock, Samantha; Faulkner, Robert Allan","A Structural Study of Dithizone Coordination Chemistry","CrystEngComm","2017","","","","","10.1039/C7CE00580F","","","0.71073","MoKα","","0.1343","0.0638","","","0.155","0.1868","","","","","","1","","","","has coordinates,has disorder","197185","2020-10-21","18:00:00",""
"7228371","12.4147","0.0008","12.5005","0.0008","15.0246","0.001","79.78","0.002","67.38","0.002","88.288","0.002","2116.3","0.2","150","2","150","2","","","","","","","","6","P -1","-P 1","2","","","","- C40.5 H33.5 Cu2 N12 O0.5 S3 -","- C40.5 H33.5 Cu2 N12 O0.5 S3 -","- C81 H67 Cu4 N24 O S6 -","2","1","","Rice, Craig; Jewsbury, R. A.; Dunmore, Rachel Ellen; Bullock, Samantha; Faulkner, Robert Allan","A Structural Study of Dithizone Coordination Chemistry","CrystEngComm","2017","","","","","10.1039/C7CE00580F","","","0.71073","MoKα","","0.0771","0.0433","","","0.0822","0.0943","","","","","","0.995","","","","has coordinates","197185","2020-10-21","18:00:00",""
"7228372","15.9366","0.0005","24.2141","0.0008","17.0724","0.0006","90","","110.846","0.0016","90","","6156.8","0.4","150","2","150","2","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C57 H52 Cl2 Cu4 N16 O S4 -","- C57 H52 Cl2 Cu4 N16 O S4 -","- C228 H208 Cl8 Cu16 N64 O4 S16 -","4","1","","Rice, Craig; Jewsbury, R. A.; Dunmore, Rachel Ellen; Bullock, Samantha; Faulkner, Robert Allan","A Structural Study of Dithizone Coordination Chemistry","CrystEngComm","2017","","","","","10.1039/C7CE00580F","","","1.54178","CuKα","","0.1141","0.0818","","","0.2212","0.2482","","","","","","1.031","","","","has coordinates","197185","2020-10-21","18:00:00",""
"7228373","8.1987","0.0005","13.5765","0.0008","16.0434","0.001","86.101","0.005","78.373","0.005","88.442","0.005","1744.93","0.19","150","2","150","2","","","","","","","","5","P -1","-P 1","2","1,1',1''-((2,4,6-trimethylbenzene-1,3,5-triyl) tris(methylene))tris(5-methylindoline-2,3-dione)","1,1',1''-((2,4,6-trimethylbenzene-1,3,5-triyl) tris(methylene))tris(5-methylindoline-2,3-dione)","","- C39.68 H33.68 Cl2.04 N3 O6 -","- C39.68 H33.68 Cl2.04 N3 O6 -","- C79.36 H67.36 Cl4.08 N6 O12 -","2","1","","Mazik, Monika; Schulze, Mathias M.; Schwarzer, Anke","Conformations of benzene-based tripodal isatin-bearing compounds in the crystalline state","CrystEngComm","2017","","","","","10.1039/C7CE00576H","","","0.71073","MoKα","","0.1143","0.073","","","0.1743","0.2053","","","","","","1.114","","","","has coordinates","197186","2020-10-21","18:00:00",""
"7228374","11.8472","0.0006","13.2204","0.0006","15.2946","0.0007","62.584","0.003","70.003","0.004","86.619","0.004","1984.29","0.18","120","2","120","2","","","","","","","","4","P -1","-P 1","2","1,1',1''-(2,4,6-triethylbenzene-1,3,5-triyl)tris(methylene) triindoline-2,3-dione","1,1',1''-(2,4,6-triethylbenzene-1,3,5-triyl)tris(methylene) triindoline-2,3-dione","","- C45 H47 N5 O8 -","- C44.988 H46.972 N4.996 O7.996 -","- C89.976 H93.944 N9.992 O15.992 -","2","1","","Mazik, Monika; Schulze, Mathias M.; Schwarzer, Anke","Conformations of benzene-based tripodal isatin-bearing compounds in the crystalline state","CrystEngComm","2017","","","","","10.1039/C7CE00576H","","","0.71073","MoKα","","0.0509","0.0411","","","0.104","0.1134","","","","","","1.054","","","","has coordinates,has disorder","197186","2020-10-21","18:00:00",""
"7228375","14.9001","0.0007","10.1802","0.0004","18.3499","0.0007","90","","93.884","0.003","90","","2777","0.2","120","2","120","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","1,1',1''-(2,4,6-trimethylbenzene-1,3,5-triyl)tris(methylene) triindoline-2,3-dione","1,1',1''-(2,4,6-trimethylbenzene-1,3,5-triyl)tris(methylene) triindoline-2,3-dione","","- C36 H27 N3 O6 -","- C36 H27 N3 O6 -","- C144 H108 N12 O24 -","4","1","","Mazik, Monika; Schulze, Mathias M.; Schwarzer, Anke","Conformations of benzene-based tripodal isatin-bearing compounds in the crystalline state","CrystEngComm","2017","","","","","10.1039/C7CE00576H","","","0.71073","MoKα","","0.0717","0.049","","","0.1091","0.1233","","","","","","1.14","","","","has coordinates","197186","2020-10-21","18:00:00",""
"7228376","10.7009","0.0005","13.6335","0.0007","14.0704","0.0007","115.146","0.003","94.041","0.004","98.252","0.004","1819.05","0.17","150","2","150","2","","","","","","","","5","P -1","-P 1","2","1,1',1''-((2,4,6-trimethylbenzene-1,3,5-triyl) tris(methylene))tris(5-methoxyindoline-2,3-dione)","1,1',1''-((2,4,6-trimethylbenzene-1,3,5-triyl) tris(methylene))tris(5-methoxyindoline-2,3-dione)","","- C39.88 H33.88 Cl2.64 N3 O9 -","- C39.88 H33.88 Cl2.64 N3 O9 -","- C79.76 H67.76 Cl5.28 N6 O18 -","2","1","","Mazik, Monika; Schulze, Mathias M.; Schwarzer, Anke","Conformations of benzene-based tripodal isatin-bearing compounds in the crystalline state","CrystEngComm","2017","","","","","10.1039/C7CE00576H","","","0.71073","MoKα","","0.038","0.0341","","","0.0889","0.0923","","","","","","1.044","","","","has coordinates,has disorder","197186","2020-10-21","18:00:00",""
"7228377","8.7193","0.0003","13.537","0.0005","17.0293","0.0007","90.53","0.003","101.315","0.003","96.462","0.003","1957.42","0.13","173","2","173","2","","","","","","","","4","P -1","-P 1","2","1,1',1''-(2,4,6-triethylbenzene-1,3,5-triyl)tris(methylene) triindoline-2,3-dione","1,1',1''-(2,4,6-triethylbenzene-1,3,5-triyl)tris(methylene) triindoline-2,3-dione","","- C45 H48 N3 O9 -","- C45 H48 N3 O9 -","- C90 H96 N6 O18 -","2","1","","Mazik, Monika; Schulze, Mathias M.; Schwarzer, Anke","Conformations of benzene-based tripodal isatin-bearing compounds in the crystalline state","CrystEngComm","2017","","","","","10.1039/C7CE00576H","","","0.71073","MoKα","","0.0835","0.064","","","0.1566","0.1701","","","","","","1.191","","","","has coordinates","197186","2020-10-21","18:00:00",""
"7228378","18.9687","0.0005","8.5086","0.0002","24.479","0.0006","90","","112.71","0.0009","90","","3644.53","0.16","100","2","100","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","1,1',1''-(2,4,6-triethylbenzene-1,3,5-triyl)tris(methylene) triindoline-2,3-dione","1,1',1''-(2,4,6-triethylbenzene-1,3,5-triyl)tris(methylene) triindoline-2,3-dione","","- C44 H42 N4 O6 -","- C44 H42 N4 O6 -","- C176 H168 N16 O24 -","4","1","","Mazik, Monika; Schulze, Mathias M.; Schwarzer, Anke","Conformations of benzene-based tripodal isatin-bearing compounds in the crystalline state","CrystEngComm","2017","","","","","10.1039/C7CE00576H","","","0.71073","MoKα","","0.0569","0.0503","","","0.1288","0.1327","","","","","","1.078","","","","has coordinates","197186","2020-10-21","18:00:00",""
"7228379","15.939","0.0007","11.9019","0.0007","17.5127","0.0009","90","","102.591","0.004","90","","3242.3","0.3","150","2","150","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","1,1',1''-((2,4,6-trimethylbenzene-1,3,5-triyl) tris(methylene))tris(5-methylindoline-2,3-dione)","1,1',1''-((2,4,6-trimethylbenzene-1,3,5-triyl) tris(methylene))tris(5-methylindoline-2,3-dione)","","- C39.83 H34.25 N3.42 O6 -","- C39.83 H34.245 N3.415 O6 -","- C159.32 H136.98 N13.66 O24 -","4","1","","Mazik, Monika; Schulze, Mathias M.; Schwarzer, Anke","Conformations of benzene-based tripodal isatin-bearing compounds in the crystalline state","CrystEngComm","2017","","","","","10.1039/C7CE00576H","","","0.71073","MoKα","","0.1505","0.0667","","","0.1118","0.1485","","","","","","1.072","","","","has coordinates,has disorder","197186","2020-10-21","18:00:00",""
"7228380","14.4301","0.0004","13.512","0.0005","19.5432","0.0007","90","","99.6261","0.0019","90","","3756.9","0.2","100","2","100","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","1,1',1''-(2,4,6-triethylbenzene-1,3,5-triyl)tris(methylene) triindoline-2,3-dione","1,1',1''-(2,4,6-triethylbenzene-1,3,5-triyl)tris(methylene) tris(5-methoxyindoline-2,3-dione","","- C44 H42 N4 O9 -","- C44 H42 N4 O9 -","- C176 H168 N16 O36 -","4","1","","Mazik, Monika; Schulze, Mathias M.; Schwarzer, Anke","Conformations of benzene-based tripodal isatin-bearing compounds in the crystalline state","CrystEngComm","2017","","","","","10.1039/C7CE00576H","","","0.71073","MoKα","","0.0771","0.0589","","","0.1594","0.1693","","","","","","1.041","","","","has coordinates","197186","2020-10-21","18:00:00",""
"7228381","5.9834","0.0008","6.4373","0.0008","18.61","0.002","89.153","0.002","87.364","0.002","78.992","0.002","702.85","0.15","171","2","171","2","","","","","","","","4","P -1","-P 1","2","","","","- C32 H34 N4 O2 -","- C32 H34 N4 O2 -","- C32 H34 N4 O2 -","1","0.5","","Jaumann, Eva; Steinwand, Sabrina; Klenik, Szabina; Plackmeyer, Joern; Bats, Jan; Wachtveitl, Josef; Prisner, Thomas F. F","A Combined Optical and EPR Spectroscopy Study: Azobenzene-Based Biradicals as Reversible Molecular Photoswitches","Phys. Chem. Chem. Phys.","2017","","","","","10.1039/C7CP02088K","","","0.71073","MoKα","","0.1571","0.0591","","","0.1","0.1179","","","","","","0.939","","","","has coordinates","197201","2020-10-21","18:00:00",""
"7228382","14.6718","0.0005","22.9104","0.0008","23.5888","0.0009","90","","104.564","0.004","90","","7674.3","0.5","145","2","145","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C72 H110 Cl4 N7 O10 -","- C72 H109 Cl4 N7 O10 -","- C288 H436 Cl16 N28 O40 -","4","1","","Zhu, Jing-Yi; Li, Fu-Min; Yao, Lin; Han, Cong-Cong; Li, Shu-Ni; Zeng, Jing-Hui; Jiang, Jia-Xing; Lee, Jong-Min; Chen, Yu","In situ bubble template-assisted synthesis of phosphonate-functionalized Rh nanodendrites and their catalytic application","CrystEngComm","2017","19","21","2946","","10.1039/C7CE00606C","","","0.71073","MoKα","","0.1167","0.0929","","","0.2554","0.2772","","","","","","1.025","","","","has coordinates","197220","2020-10-21","18:00:00",""
"7228383","9.121","0.005","28.247","0.005","9.246","0.005","90","","93.306","0.005","90","","2378.2","1.9","140","2","140","2","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C20 H27 Cl F6 Ir N4 P -","- C20 H27 Cl F6 Ir N4 P -","- C80 H108 Cl4 F24 Ir4 N16 P4 -","4","1","","Zhao, Qiangli; Liu, Fengyi; Wang, Weina; Li, Chunying; Lü, Jian; Wang, Wenliang","Reactions between hydroxyl-substituted alkylperoxy radicals and Criegee intermediates: correlations of the electronic characteristics of methyl substituents and the reactivity.","Physical chemistry chemical physics : PCCP","2017","","","","","10.1039/c7cp00869d","","","0.71069","MoKα","","0.0605","0.0399","","","0.0823","0.089","","","","","","1.092","","","","has coordinates,has disorder","197515","2020-10-21","18:00:00",""
"7228384","37.887","0.005","8.061","0.005","20.793","0.005","90","","111.38","0.005","90","","5913","4","140","2","140","2","","","","","","","","8","C 1 2/c 1","-C 2yc","15","","","","- C80 H120 Cl16 F24 Ir4 N24 O P4 -","- C80 H120 Cl16 F24 Ir4 N24 O P4 -","- C160 H240 Cl32 F48 Ir8 N48 O2 P8 -","2","0.25","","Zhao, Qiangli; Liu, Fengyi; Wang, Weina; Li, Chunying; Lü, Jian; Wang, Wenliang","Reactions between hydroxyl-substituted alkylperoxy radicals and Criegee intermediates: correlations of the electronic characteristics of methyl substituents and the reactivity.","Physical chemistry chemical physics : PCCP","2017","","","","","10.1039/c7cp00869d","","","0.71069","MoKα","","0.0673","0.0429","","","0.0931","0.1053","","","","","","1.058","","","","has coordinates","197515","2020-10-21","18:00:00",""
"7228385","7.6814","0.0014","12.408","0.002","16.186","0.003","78.662","0.004","85.451","0.004","72.021","0.004","1438.4","0.4","140","2","140","2","","","","","","","","7","P -1","-P 1","2","","","","- C21 H33 Cl3 F6 Ir N6 P -","- C21 H33 Cl3 F6 Ir N6 P -","- C42 H66 Cl6 F12 Ir2 N12 P2 -","2","1","","Zhao, Qiangli; Liu, Fengyi; Wang, Weina; Li, Chunying; Lü, Jian; Wang, Wenliang","Reactions between hydroxyl-substituted alkylperoxy radicals and Criegee intermediates: correlations of the electronic characteristics of methyl substituents and the reactivity.","Physical chemistry chemical physics : PCCP","2017","","","","","10.1039/c7cp00869d","","","0.71073","MoKα","","0.059","0.0446","","","0.1128","0.1389","","","","","","1.16","","","","has coordinates","197515","2020-10-21","18:00:00",""
"7228386","6.283","0.004","9.068","0.006","9.413","0.006","83.434","0.01","71.683","0.01","87.853","0.01","505.8","0.6","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","","","- C20 H18 B2 N2 O12 -","- C20 H18 B2 N2 O12 -","- C20 H18 B2 N2 O12 -","1","0.5","","Campos, Jose Jesus; García Grajeda, Blanca A.; Hernández, Irán Fernando; Guerrero, Jorge Antonio; Höpfl, Herbert; Cruz, Adriana","Supramolecular networks in molecular complexes of pyridine boronic acids and polycarboxylic acids: Synthesis, structural characterization and fluorescent properties","CrystEngComm","2017","","","","","10.1039/C7CE00762K","","","0.71073","MoKα","","0.0523","0.0464","","","0.1172","0.1222","","","","","","1.043","","","","has coordinates","197544","2020-10-21","18:00:00",""
"7228387","6.8238","0.001","8.5146","0.0013","12.6237","0.0019","91.778","0.002","104.295","0.002","96.157","0.002","705.39","0.18","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","","","- C14 H12 B N O8 -","- C14 H12 B N O8 -","- C28 H24 B2 N2 O16 -","2","1","","Campos, Jose Jesus; García Grajeda, Blanca A.; Hernández, Irán Fernando; Guerrero, Jorge Antonio; Höpfl, Herbert; Cruz, Adriana","Supramolecular networks in molecular complexes of pyridine boronic acids and polycarboxylic acids: Synthesis, structural characterization and fluorescent properties","CrystEngComm","2017","","","","","10.1039/C7CE00762K","","","0.71073","MoKα","","0.036","0.0352","","","0.096","0.0967","","","","","","1.068","","","","has coordinates","197544","2020-10-21","18:00:00",""
"7228388","3.6556","0.0006","10.2996","0.0016","15.328","0.002","103.389","0.002","92.245","0.003","98.573","0.003","553.53","0.14","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","","","- C20 H22 B2 N2 O14 -","- C20 H22 B2 N2 O14 -","- C20 H22 B2 N2 O14 -","1","0.5","","Campos, Jose Jesus; García Grajeda, Blanca A.; Hernández, Irán Fernando; Guerrero, Jorge Antonio; Höpfl, Herbert; Cruz, Adriana","Supramolecular networks in molecular complexes of pyridine boronic acids and polycarboxylic acids: Synthesis, structural characterization and fluorescent properties","CrystEngComm","2017","","","","","10.1039/C7CE00762K","","","0.71073","MoKα","","0.0646","0.056","","","0.1309","0.1398","","","","","","1.023","","","","has coordinates","197544","2020-10-21","18:00:00",""
"7228389","9.094","0.0006","12.7134","0.0005","33.9463","0.0014","90","","90","","90","","3924.7","0.3","173","2","173","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C23 H9 O11 Zn2 -","- C23 H9 O11 Zn2 -","- C92 H36 O44 Zn8 -","4","1","","Liu, Jian-Qiang; SINGH, AMITA; Kumar, Abhinav; Wu, Xiren; Wang, Jun; Batten, Stuart R.; Li, Baohong","An uncommon (5,5)-connected 3D metal organic material for selective and sensitive sensing of nitroaromatics and ferric ion: experimental studies and theoretical analysis","CrystEngComm","2017","","","","","10.1039/C7CE00912G","","","1.54184","CuKα","","0.0983","0.0878","","","0.2365","0.2531","","","","","","0.987","","","","has coordinates","197545","2020-10-21","18:00:00",""
"7228390","12.2017","0.0001","7.959","","25.9259","0.0001","90","","90","","90","","2517.75","0.02","200","0.1","200","0.1","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C10 H13 Cl2 N O3 -","- C10 H13 Cl2 N O3 -","- C80 H104 Cl16 N8 O24 -","8","1","","D'Vries, Richard Fernando; Moreno-Fuquen, Rodolfo; Camps, Ihosvany; Ayala, Alejandro P.; Kennedy, Alan; Reinheimer, Eric W.; Ellena, Javier A.","Order-disorder phase transition induced by proton transfer in a co-crystal of 2,4-dichlorobenzoic Acid and Trimethylamine N- oxide","CrystEngComm","2017","","","","","10.1039/C7CE00835J","","","1.54184","CuKα","","0.033","0.0324","","","0.0876","0.0881","","","","","","1.091","","","","has coordinates","197546","2020-10-21","18:00:00",""
"7228391","12.2769","0.0001","8.0018","0.0001","26.0006","0.0002","90","","90","","90","","2554.23","0.04","294.87","0.1","294.87","0.1","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C10 H13 Cl2 N O3 -","- C10 H13 Cl2 N O3 -","- C80 H104 Cl16 N8 O24 -","8","1","","D'Vries, Richard Fernando; Moreno-Fuquen, Rodolfo; Camps, Ihosvany; Ayala, Alejandro P.; Kennedy, Alan; Reinheimer, Eric W.; Ellena, Javier A.","Order-disorder phase transition induced by proton transfer in a co-crystal of 2,4-dichlorobenzoic Acid and Trimethylamine N- oxide","CrystEngComm","2017","","","","","10.1039/C7CE00835J","","","1.54184","CuKα","","0.0405","0.0393","","","0.1126","0.1137","","","","","","1.066","","","","has coordinates,has disorder","197546","2020-10-21","18:00:00",""
"7228392","12.2403","0.0001","7.9788","0.0001","25.9695","0.0002","90","","90","","90","","2536.26","0.04","250","0.1","250","10","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C10 H13 Cl2 N O3 -","- C10 H13 Cl2 N O3 -","- C80 H104 Cl16 N8 O24 -","8","1","","D'Vries, Richard Fernando; Moreno-Fuquen, Rodolfo; Camps, Ihosvany; Ayala, Alejandro P.; Kennedy, Alan; Reinheimer, Eric W.; Ellena, Javier A.","Order-disorder phase transition induced by proton transfer in a co-crystal of 2,4-dichlorobenzoic Acid and Trimethylamine N- oxide","CrystEngComm","2017","","","","","10.1039/C7CE00835J","","","1.54184","CuKα","","0.035","0.0341","","","0.0926","0.0933","","","","","","1.077","","","","has coordinates,has disorder","197546","2020-10-21","18:00:00",""
"7228393","12.12852","0.0001","7.92362","0.00007","25.81707","0.00018","90","","90","","90","","2481.07","0.03","99.98","0.18","99.98","0.18","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C10 H13 Cl1.98 N O3 -","- C10 H13 Cl1.9797 N O3 -","- C80 H104 Cl15.8376 N8 O24 -","8","1","","D'Vries, Richard Fernando; Moreno-Fuquen, Rodolfo; Camps, Ihosvany; Ayala, Alejandro P.; Kennedy, Alan; Reinheimer, Eric W.; Ellena, Javier A.","Order-disorder phase transition induced by proton transfer in a co-crystal of 2,4-dichlorobenzoic Acid and Trimethylamine N- oxide","CrystEngComm","2017","","","","","10.1039/C7CE00835J","","x-ray","1.54184","CuKα","","0.0272","0.0269","","","0.0695","0.0697","","","","","","1.095","","","","has coordinates,has disorder","197546","2020-10-21","18:00:00",""
"7228394","12.162","0.0001","7.9403","0.0001","25.8738","0.0002","90","","90","","90","","2498.63","0.04","150","10","150","10","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C10 H13 Cl2 N O3 -","- C10 H13 Cl2 N O3 -","- C80 H104 Cl16 N8 O24 -","8","1","","D'Vries, Richard Fernando; Moreno-Fuquen, Rodolfo; Camps, Ihosvany; Ayala, Alejandro P.; Kennedy, Alan; Reinheimer, Eric W.; Ellena, Javier A.","Order-disorder phase transition induced by proton transfer in a co-crystal of 2,4-dichlorobenzoic Acid and Trimethylamine N- oxide","CrystEngComm","2017","","","","","10.1039/C7CE00835J","","","1.54184","CuKα","","0.029","0.0286","","","0.0778","0.0781","","","","","","1.086","","","","has coordinates","197546","2020-10-21","18:00:00",""
"7228395","5.8418","0.0013","18.7","0.004","8.993","0.0015","90","","92.986","0.018","90","","981.1","0.3","296.71","0.1","296.71","0.1","","","","","","","","3","P 1 21 1","P 2yb","4","","","","- C19 H30 O6 -","- C19 H30 O6 -","- C38 H60 O12 -","2","1","","Xiao, Jian; Lin, Libin; Hu, Jiayao; Jiao, Furong; Duan, Dongzhu; Zhang, Qiang; Tang, Haoyu; Gao, Jinming; Wang, Le; Wang, Xiaoling","Highly oxygenated caryophyllene-type and drimane-type sesquiterpenes from Pestalotiopsis adusta, an endophytic fungus of Sinopodophyllum hexandrum","RSC Adv.","2017","7","46","29071","","10.1039/C7RA04267A","","x-ray","0.71073","MoKα","","0.118","0.0743","","","0.1708","0.2249","","","","","","1.075","","","","has coordinates","197560","2020-10-21","18:00:00",""
"7228396","8.1708","0.0004","18.5668","0.0008","11.4565","0.0006","90","","96.846","0.004","90","","1725.62","0.15","293","2","293","2","","","","","","","","3","P 1 21 1","P 2yb","4","","","","- C18 H26 O5 -","- C18 H26 O5 -","- C72 H104 O20 -","4","2","","Xiao, Jian; Lin, Libin; Hu, Jiayao; Jiao, Furong; Duan, Dongzhu; Zhang, Qiang; Tang, Haoyu; Gao, Jinming; Wang, Le; Wang, Xiaoling","Highly oxygenated caryophyllene-type and drimane-type sesquiterpenes from Pestalotiopsis adusta, an endophytic fungus of Sinopodophyllum hexandrum","RSC Adv.","2017","7","46","29071","","10.1039/C7RA04267A","","x-ray","1.54184","CuKα","","0.1279","0.0714","","","0.1655","0.221","","","","","","1.047","","","","has coordinates","197560","2020-10-21","18:00:00",""
"7228397","7.4395","0.0002","10.2984","0.0003","10.4052","0.0003","118.125","0.0006","94.6199","0.0007","92.7499","0.0007","697.42","0.03","150","2","150","2","","","","","","","","6","P -1","-P 1","2","","","","- C18 H38 Ca I2 N2 O8 -","- C18 H38 Ca I2 N2 O8 -","- C18 H38 Ca I2 N2 O8 -","1","0.5","","Steinbauer, J.; Spannenberg, A.; Werner, T.","An in situ formed Ca2±-crown ether complex and its use in CO2-fixation reactions with terminal and internal epoxides","Green Chem.","2017","","","","","10.1039/C7GC01114H","","","0.71073","MoKα","","0.0173","0.0158","","","0.0361","0.0369","","","","","","1.088","","","","has coordinates","197592","2020-10-21","18:00:00",""
"7228398","8.6487","0.0002","9.628","0.0002","10.6343","0.0002","90","","90","","90","","885.51","0.03","150","2","150","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C10 H10 O4 -","- C10 H10 O4 -","- C40 H40 O16 -","4","1","","Steinbauer, J.; Spannenberg, A.; Werner, T.","An in situ formed Ca2±-crown ether complex and its use in CO2-fixation reactions with terminal and internal epoxides","Green Chem.","2017","","","","","10.1039/C7GC01114H","","","1.54178","CuKα","","0.0283","0.0282","","","0.0707","0.0708","","","","","","1.113","","","","has coordinates","197592","2020-10-21","18:00:00",""
"7228399","37.196","0.003","37.196","0.003","5.4457","0.0009","90","","90","","120","","6524.9","1.3","250","2","250","2","","","","","","","","4","R -3","-R 3","148","","","","- C26 H32 N6 S2 -","- C26 H32 N6 S2 -","- C234 H288 N54 S18 -","9","","","Tam, Teck Lip Dexter; Lin, Ting Ting; Chua, Ming Hui","Can time-dependent density functional theory predict intersystem crossing in organic chromophores? A case study on benzo(bis)-X-diazole based donor‒acceptor‒donor type molecules","Phys. Chem. Chem. Phys.","2017","","","","","10.1039/C7CP03121A","","","1.54178","CuKα","","0.0629","0.04","","","0.1075","0.1155","","","","","","1.013","","","","has coordinates,has disorder","197595","2020-10-21","18:00:00",""
"7228400","20.6046","0.0008","5.8783","0.0002","20.9113","0.0008","90","","97.134","0.002","90","","2513.17","0.16","100","2","100.03","","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C26 H32 N6 S2 -","- C26 H32 N6 S2 -","- C104 H128 N24 S8 -","4","1","","Tam, Teck Lip Dexter; Lin, Ting Ting; Chua, Ming Hui","Can time-dependent density functional theory predict intersystem crossing in organic chromophores? A case study on benzo(bis)-X-diazole based donor‒acceptor‒donor type molecules","Phys. Chem. Chem. Phys.","2017","","","","","10.1039/C7CP03121A","","","0.71073","MoKα","","0.0607","0.0498","","","0.1215","0.127","","","","","","1.115","","","","has coordinates","197595","2020-10-21","18:00:00",""
"7228401","9.6442","0.0003","13.9072","0.0004","19.3218","0.0006","80.5235","0.0016","89.0924","0.0016","79.1833","0.0015","2510.43","0.13","100","2","100.07","","","","","","","","","4","P -1","-P 1","2","","","","- C26 H32 N6 S2 -","- C26 H32 N6 S2 -","- C104 H128 N24 S8 -","4","2","","Tam, Teck Lip Dexter; Lin, Ting Ting; Chua, Ming Hui","Can time-dependent density functional theory predict intersystem crossing in organic chromophores? A case study on benzo(bis)-X-diazole based donor‒acceptor‒donor type molecules","Phys. Chem. Chem. Phys.","2017","","","","","10.1039/C7CP03121A","","","0.71073","MoKα","","0.057","0.0499","","","0.1226","0.1292","","","","","","1.026","","","","has coordinates,has disorder","197595","2020-10-21","18:00:00",""
"7228402","13.9212","0.0002","13.9212","0.0002","22.6133","0.0005","90","","90","","120","","3795.32","0.11","295","","295","","","","","","","","","5","R 3 :H","R 3","146","","","","- C8 H18 Mg2 N2 O13 -","- C8 H18 Mg2 N2 O13 -","- C72 H162 Mg18 N18 O117 -","9","1","","Trzebiatowska, Monika; Zarychta, Bartosz; Pikul, Adam; maczka, miroslaw; Peksa, Paula; Poprawski, Ryszard","Polar metal-formate frameworks templated with 1,2-diaminoethane-water assemblies showing ferromagnetic and ferroelectric properties","Phys. Chem. Chem. Phys.","2017","","","","","10.1039/C7CP02301D","","","0.71073","MoKα","","0.0318","0.0311","","","0.0848","0.0851","","","","","","1.14","","","","has coordinates","197596","2020-10-21","18:00:00",""
"7228403","8.0241","0.0004","8.0241","0.0004","7.3421","0.0004","90","","90","","120","","409.4","0.04","295","","295","","","","","","","","","5","P 63 2 2","P 6c 2c","182","","","","- C8 H18 N2 Ni2 O13 -","- C8 H18.0016 N2.0004 Ni2 O13.0002 -","- C8 H18.0016 N2.0004 Ni2 O13.0002 -","1","0.0833333","","Trzebiatowska, Monika; Zarychta, Bartosz; Pikul, Adam; maczka, miroslaw; Peksa, Paula; Poprawski, Ryszard","Polar metal-formate frameworks templated with 1,2-diaminoethane-water assemblies showing ferromagnetic and ferroelectric properties","Phys. Chem. Chem. Phys.","2017","","","","","10.1039/C7CP02301D","","","0.71073","MoKα","","0.0247","0.0222","","","0.0451","0.0455","","","","","","1.183","","","","has coordinates","197596","2020-10-21","18:00:00",""
"7228404","13.958","0.0002","13.958","0.0002","22.4646","0.0004","90","","90","","120","","3790.32","0.1","295","","295","","","","","","","","","5","R 3 :H","R 3","146","","","","- C8 H18 N2 O13 Zn2 -","- C8 H18 N2 O13 Zn2 -","- C72 H162 N18 O117 Zn18 -","9","1","","Trzebiatowska, Monika; Zarychta, Bartosz; Pikul, Adam; maczka, miroslaw; Peksa, Paula; Poprawski, Ryszard","Polar metal-formate frameworks templated with 1,2-diaminoethane-water assemblies showing ferromagnetic and ferroelectric properties","Phys. Chem. Chem. Phys.","2017","","","","","10.1039/C7CP02301D","","","0.71073","MoKα","","0.0518","0.0511","","","0.1124","0.1127","","","","","","1.259","","","","has coordinates,has disorder","197596","2020-10-21","18:00:00",""
"7228405","10.9975","0.0002","10.9975","0.0002","10.9975","0.0002","78.85","","78.85","","78.85","","1263.43","0.04","295","","295","","","","","","","","","5","R 3 :R","P 3*","146","","","","- C8 H18 Co2 N2 O13 -","- C8 H18 Co2 N2 O13 -","- C24 H54 Co6 N6 O39 -","3","1","","Trzebiatowska, Monika; Zarychta, Bartosz; Pikul, Adam; maczka, miroslaw; Peksa, Paula; Poprawski, Ryszard","Polar metal-formate frameworks templated with 1,2-diaminoethane-water assemblies showing ferromagnetic and ferroelectric properties","Phys. Chem. Chem. Phys.","2017","","","","","10.1039/C7CP02301D","","","0.71073","MoKα","","0.072","0.0621","","","0.1174","0.1204","","","","","","1.142","","","","has coordinates,has disorder","197596","2020-10-21","18:00:00",""
"7228406","10.184","0.002","10.71","0.002","11.083","0.002","104.7","0.03","103.61","0.03","102.46","0.03","1086.5","0.5","173.15","","173.15","","","","","","","","","5","P -1","-P 1","2","","","","- C23 H24 N O5 S2 -","- C23 H24 N O5 S2 -","- C46 H48 N2 O10 S4 -","2","1","","Liu, Honglei; Zhao, Yan; Li, Zhen; Jia, Hao; Zhang, Cheng; Xiao, Yumei; Guo, Hongchao","Lewis base-catalyzed diastereoselective [3 + 2] cycloaddition reaction of nitrones with electron-deficient alkenes: an access to isoxazolidine derivatives","RSC Adv.","2017","7","47","29515","","10.1039/C7RA04264G","","","0.71073","MoKα","","0.0397","0.0373","","","0.0912","0.0928","","","","","","1.101","","","","has coordinates","197597","2020-10-21","18:00:00",""
"7228407","6.4188","0.0019","6.4188","0.0019","16.083","0.01","90","","90","","120","","573.9","0.4","293","2","293","2","","","","","","","","4","P 32 2 1","P 32 2""","154","","","","- Ba Cu2 Se4 Si -","- Ba Cu2 Se4 Si -","- Ba3 Cu6 Se12 Si3 -","3","0.5","","Nian, Leyan; Huang, Junben; Wu, Kui; Su, Zhi; Yang, Zhihua; Pan, Shilie","BaCu2MIVQ4 (MIV = Si, Ge, and Sn; Q = S, Se): synthesis, crystal structures, optical performances and theoretical calculations","RSC Adv.","2017","7","47","29378","","10.1039/C7RA05022D","","","0.71073","MoKα","","0.031","0.0264","","","0.0437","0.0449","","","","","","1.008","","","","has coordinates","197598","2020-10-21","18:00:00",""
"7228408","11.101","0.01","11.189","0.01","6.728","0.006","90","","90","","90","","835.7","1.3","293","2","293","2","","","","","","","","4","A m a 2","A 2 -2a","40","","","","- Ba Cu2 Se4 Sn -","- Ba Cu2 Se4 Sn -","- Ba4 Cu8 Se16 Sn4 -","4","0.5","","Nian, Leyan; Huang, Junben; Wu, Kui; Su, Zhi; Yang, Zhihua; Pan, Shilie","BaCu2MIVQ4 (MIV = Si, Ge, and Sn; Q = S, Se): synthesis, crystal structures, optical performances and theoretical calculations","RSC Adv.","2017","7","47","29378","","10.1039/C7RA05022D","","","0.71073","MoKα","","0.0265","0.0251","","","0.0527","0.0532","","","","","","1.018","","","","has coordinates","197598","2020-10-21","18:00:00",""
"7228409","6.353","0.003","6.353","0.003","15.788","0.014","90","","90","","120","","551.8","0.6","293","2","293","2","","","","","","","","4","P 32 2 1","P 32 2""","154","","","","- Ba Cu2 S4 Sn -","- Ba Cu2 S4 Sn -","- Ba3 Cu6 S12 Sn3 -","3","0.5","","Nian, Leyan; Huang, Junben; Wu, Kui; Su, Zhi; Yang, Zhihua; Pan, Shilie","BaCu2MIVQ4 (MIV = Si, Ge, and Sn; Q = S, Se): synthesis, crystal structures, optical performances and theoretical calculations","RSC Adv.","2017","7","47","29378","","10.1039/C7RA05022D","","","0.71073","MoKα","","0.0316","0.0258","","","0.0569","0.0595","","","","","","1.07","","","","has coordinates","197598","2020-10-21","18:00:00",""
"7228410","6.2092","0.0008","6.2092","0.0008","15.52","0.004","90","","90","","120","","518.2","0.16","293","2","293","2","","","","","","","","4","P 31 2 1","P 31 2""","152","","","","- Ba Cu2 Ge S4 -","- Ba Cu2 Ge S4 -","- Ba3 Cu6 Ge3 S12 -","3","0.5","","Nian, Leyan; Huang, Junben; Wu, Kui; Su, Zhi; Yang, Zhihua; Pan, Shilie","BaCu2MIVQ4 (MIV = Si, Ge, and Sn; Q = S, Se): synthesis, crystal structures, optical performances and theoretical calculations","RSC Adv.","2017","7","47","29378","","10.1039/C7RA05022D","","","0.71073","MoKα","","0.0214","0.0185","","","0.0366","0.0373","","","","","","1.031","","","","has coordinates","197598","2020-10-21","18:00:00",""
"7228411","6.5014","0.0006","6.5014","0.0006","16.266","0.003","90","","90","","120","","595.42","0.13","293","2","293","2","","","","","","","","4","P 31 2 1","P 31 2""","152","","","","- Ba Cu2 Ge Se4 -","- Ba Cu2 Ge Se4 -","- Ba3 Cu6 Ge3 Se12 -","3","0.5","","Nian, Leyan; Huang, Junben; Wu, Kui; Su, Zhi; Yang, Zhihua; Pan, Shilie","BaCu2MIVQ4 (MIV = Si, Ge, and Sn; Q = S, Se): synthesis, crystal structures, optical performances and theoretical calculations","RSC Adv.","2017","7","47","29378","","10.1039/C7RA05022D","","","0.71073","MoKα","","0.0287","0.0281","","","0.0659","0.0663","","","","","","1.054","","","","has coordinates","197598","2020-10-21","18:00:00",""
"7228412","13.3885","0.0003","66.3135","0.0018","5.5816","0.0002","90","","90","","90","","4955.6","0.2","100","2","100","2","","","","","","","","3","F d d 2","F 2 -2d","43","","","","- C17 H14 O2 -","- C17 H14 O2 -","- C272 H224 O32 -","16","1","","Chan, Chieh-Kai; Wang, Heui-Sin; Tsai, Yu-Lin; Chang, Meng-Yang","Metal triflate promoted synthesis of naphthalenes","RSC Adv.","2017","7","47","29321","","10.1039/C7RA04960A","","","0.71073","MoKα","","0.0428","0.0325","","","0.0807","0.1154","","","","","","1.168","","","","has coordinates","197599","2020-10-21","18:00:00",""
"7228413","6.6111","0.0003","9.883","0.0005","14.47","0.0008","106.574","0.002","94.682","0.002","104.105","0.002","867.14","0.08","100","2","100","2","","","","","","","","3","P -1","-P 1","2","","","","- C24 H20 O2 -","- C24 H20 O2 -","- C48 H40 O4 -","2","1","","Chan, Chieh-Kai; Wang, Heui-Sin; Tsai, Yu-Lin; Chang, Meng-Yang","Metal triflate promoted synthesis of naphthalenes","RSC Adv.","2017","7","47","29321","","10.1039/C7RA04960A","","","0.71073","MoKα","","0.046","0.0386","","","0.1084","0.1231","","","","","","1.072","","","","has coordinates","197599","2020-10-21","18:00:00",""
"7228414","6.7021","0.0011","7.9371","0.0012","12.17","0.002","85.327","0.006","80.53","0.006","82.517","0.006","631.93","0.18","100","2","100","2","","","","","","","","4","P -1","-P 1","2","","","","- C17 H13 F O2 -","- C17 H13 F O2 -","- C34 H26 F2 O4 -","2","1","","Chan, Chieh-Kai; Wang, Heui-Sin; Tsai, Yu-Lin; Chang, Meng-Yang","Metal triflate promoted synthesis of naphthalenes","RSC Adv.","2017","7","47","29321","","10.1039/C7RA04960A","","","0.71073","MoKα","","0.0431","0.0343","","","0.0907","0.1097","","","","","","1.089","","","","has coordinates","197599","2020-10-21","18:00:00",""
"7228415","13.345","0.0012","15.2538","0.0014","7.5723","0.0007","90","","99.819","0.002","90","","1518.9","0.2","100","2","100","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C19 H18 O3 -","- C19 H18 O3 -","- C76 H72 O12 -","4","1","","Chan, Chieh-Kai; Wang, Heui-Sin; Tsai, Yu-Lin; Chang, Meng-Yang","Metal triflate promoted synthesis of naphthalenes","RSC Adv.","2017","7","47","29321","","10.1039/C7RA04960A","","","0.71073","MoKα","","0.1172","0.0504","","","0.1026","0.1285","","","","","","0.996","","","","has coordinates","197599","2020-10-21","18:00:00",""
"7228416","7.654","0.004","13.82","0.008","13.657","0.008","90","","98.379","0.009","90","","1429.2","1.4","295","2","295","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C18 H16 O2 -","- C18 H16 O2 -","- C72 H64 O8 -","4","1","","Chan, Chieh-Kai; Wang, Heui-Sin; Tsai, Yu-Lin; Chang, Meng-Yang","Metal triflate promoted synthesis of naphthalenes","RSC Adv.","2017","7","47","29321","","10.1039/C7RA04960A","","","0.71073","MoKα","","0.0711","0.0475","","","0.1271","0.1581","","","","","","1.049","","","","has coordinates","197599","2020-10-21","18:00:00",""
"7228417","8.6905","0.0003","21.925","0.0007","8.2652","0.0003","90","","108.326","0.001","90","","1494.97","0.09","100","2","100","2","","","","","","","","3","C 1 c 1","C -2yc","9","","","","- C19 H18 O3 -","- C19 H18 O3 -","- C76 H72 O12 -","4","1","","Chan, Chieh-Kai; Wang, Heui-Sin; Tsai, Yu-Lin; Chang, Meng-Yang","Metal triflate promoted synthesis of naphthalenes","RSC Adv.","2017","7","47","29321","","10.1039/C7RA04960A","","","0.71073","MoKα","","0.0291","0.0277","","","0.0732","0.0743","","","","","","1.052","","","","has coordinates","197599","2020-10-21","18:00:00",""
"7228419","4.8937","0.0002","7.3246","0.0003","28.2872","0.0013","91.643","0.002","94.767","0.002","90.71","0.002","1009.9","0.07","298","2","298","2","","","","","","","","4","P -1","-P 1","2","Lead(II) nonanoate - polymorph A","catena-poly[[(nonanoato-O,O')lead(II)]-[mu]-nonanoato-O,O':O:O']","","- C18 H34 O4 Pb -","- C18 H34 O4 Pb -","- C36 H68 O8 Pb2 -","2","1","","Martinez-Casado, Francisco Javier Javier; Ramos Riesco, Miguel; Cheda, Jose A.; Redondo Yélamos, María Isabel; Garrido, Leoncio; Fernandez-Martinez, Alejandro; García-Barriocanal, Javier; da Silva, Ivan; Duran-Olivencia, Miguel A.; Poulain, Agnieszka","Lead(II) Soaps: Crystal Structures, Polymorphism, Solid and Liquid Mesophases","Phys. Chem. Chem. Phys.","2017","","","","","10.1039/C7CP02351K","","","1.54178","CuKα","","0.066","0.0645","","","0.1762","0.1795","","","","","","1.073","","","","has coordinates","197642","2020-10-21","18:00:00",""
"7228420","90.6159","0.0013","4.96125","0.00011","7.30027","0.00018","90","","90.463","0.003","90","","3281.86","0.12","298","","298","","","","","","","","","4","P 1 2/c 1","-P 2yc","13","Lead(II) palmitate","Lead(II) hexadecanoate","","- C32 H62 O4 Pb -","- C32 H62 O4 Pb -","- C128 H248 O16 Pb4 -","4","1","","Martinez-Casado, Francisco Javier Javier; Ramos Riesco, Miguel; Cheda, Jose A.; Redondo Yélamos, María Isabel; Garrido, Leoncio; Fernandez-Martinez, Alejandro; García-Barriocanal, Javier; da Silva, Ivan; Duran-Olivencia, Miguel A.; Poulain, Agnieszka","Lead(II) Soaps: Crystal Structures, Polymorphism, Solid and Liquid Mesophases","Phys. Chem. Chem. Phys.","2017","","","","","10.1039/C7CP02351K","powder diffraction","","1.54056","CuKα","","","","","","","","","3.2389","3.88","","","","","","","has coordinates","197642","2020-10-21","18:00:00",""
"7228421","4.91","0.005","7.327","0.005","30.806","0.005","88.565","0.005","85.855","0.005","89.391","0.005","1105","1.4","298","2","298","2","","","","","","","","4","P -1","-P 1","2","Lead(II) decanoate - polymorph A","catena-poly[[(decanoato-O,O')lead(II)]-[mu]-decanoato-O,O':O:O']","","- C20 H38 O4 Pb -","- C20 H38 O4 Pb -","- C40 H76 O8 Pb2 -","2","1","","Martinez-Casado, Francisco Javier Javier; Ramos Riesco, Miguel; Cheda, Jose A.; Redondo Yélamos, María Isabel; Garrido, Leoncio; Fernandez-Martinez, Alejandro; García-Barriocanal, Javier; da Silva, Ivan; Duran-Olivencia, Miguel A.; Poulain, Agnieszka","Lead(II) Soaps: Crystal Structures, Polymorphism, Solid and Liquid Mesophases","Phys. Chem. Chem. Phys.","2017","","","","","10.1039/C7CP02351K","","","1.54178","CuKα","","0.0424","0.039","","","0.1062","0.1104","","","","","","1.035","","","","has coordinates","197642","2020-10-21","18:00:00",""
"7228422","4.8865","0.0004","7.2966","0.0006","30.7267","0.0014","88.63","0.011","85.856","0.01","89.552","0.016","1092.36","0.14","298","","298","","","","","","","","","4","P -1","-P 1","2","Lead(II) decanoate, polymorph A","catena-poly[[(decanoato-O,O')lead(II)]-[mu]-decanoato-O,O':O:O']","","- C20 H38 O4 Pb -","- C20 H38 O4 Pb -","- C40 H76 O8 Pb2 -","2","1","","Martinez-Casado, Francisco Javier Javier; Ramos Riesco, Miguel; Cheda, Jose A.; Redondo Yélamos, María Isabel; Garrido, Leoncio; Fernandez-Martinez, Alejandro; García-Barriocanal, Javier; da Silva, Ivan; Duran-Olivencia, Miguel A.; Poulain, Agnieszka","Lead(II) Soaps: Crystal Structures, Polymorphism, Solid and Liquid Mesophases","Phys. Chem. Chem. Phys.","2017","","","","","10.1039/C7CP02351K","powder diffraction","","0.9941","","","","","","","","","","5.9696","0.405","","","","","","","has coordinates","197642","2020-10-21","18:00:00",""
"7228423","75.2787","0.0017","4.96255","0.00012","7.2836","0.0002","90","","90.581","0.003","90","","2720.83","0.12","298","","298","","","","","","","","","4","P 1 2/c 1","-P 2yc","13","Lead(II) tridecanoate","","","- C26 H50 O4 Pb -","- C26 H50 O4 Pb -","- C104 H200 O16 Pb4 -","4","1","","Martinez-Casado, Francisco Javier Javier; Ramos Riesco, Miguel; Cheda, Jose A.; Redondo Yélamos, María Isabel; Garrido, Leoncio; Fernandez-Martinez, Alejandro; García-Barriocanal, Javier; da Silva, Ivan; Duran-Olivencia, Miguel A.; Poulain, Agnieszka","Lead(II) Soaps: Crystal Structures, Polymorphism, Solid and Liquid Mesophases","Phys. Chem. Chem. Phys.","2017","","","","","10.1039/C7CP02351K","powder diffraction","","1.54056","CuKα","","","","","","","","","7.6664","5.94","","","","","","","has coordinates","197642","2020-10-21","18:00:00",""
"7228424","4.89365","","7.32459","","28.2414","0.0012","91.6403","","94.7593","","90.7105","","1008.27","0.04","298","","298","","","","","","","","","4","P -1","-P 1","2","Lead(II) nonanoate, polymorph A","catena-poly[[(nonanoato-O,O')lead(II)]-[mu]-nonanoato-O,O':O:O']","","- C18 H34 O4 Pb -","- C18 H34 O4 Pb -","- C36 H68 O8 Pb2 -","2","1","","Martinez-Casado, Francisco Javier Javier; Ramos Riesco, Miguel; Cheda, Jose A.; Redondo Yélamos, María Isabel; Garrido, Leoncio; Fernandez-Martinez, Alejandro; García-Barriocanal, Javier; da Silva, Ivan; Duran-Olivencia, Miguel A.; Poulain, Agnieszka","Lead(II) Soaps: Crystal Structures, Polymorphism, Solid and Liquid Mesophases","Phys. Chem. Chem. Phys.","2017","","","","","10.1039/C7CP02351K","powder diffraction","","1.54056","CuKα","","","","","","","","","8.9452","4.33","","","","","","","has coordinates","197642","2020-10-21","18:00:00",""
"7228425","95.649","0.002","4.9544","0.0002","7.2989","0.0004","90","","90.492","0.006","90","","3458.7","0.2","298","","298","","","","","","","","","4","P 1 2/c 1","-P 2yc","13","Lead(II) heptadecanoate","Lead(II) heptadecanoate","","- C34 H66 O4 Pb -","- C34 H66 O4 Pb -","- C136 H264 O16 Pb4 -","4","1","","Martinez-Casado, Francisco Javier Javier; Ramos Riesco, Miguel; Cheda, Jose A.; Redondo Yélamos, María Isabel; Garrido, Leoncio; Fernandez-Martinez, Alejandro; García-Barriocanal, Javier; da Silva, Ivan; Duran-Olivencia, Miguel A.; Poulain, Agnieszka","Lead(II) Soaps: Crystal Structures, Polymorphism, Solid and Liquid Mesophases","Phys. Chem. Chem. Phys.","2017","","","","","10.1039/C7CP02351K","powder diffraction","","1.54056","CuKα","","","","","","","","","5.7876","8.47","","","","","","","has coordinates","197642","2020-10-21","18:00:00",""
"7228426","54.9422","0.0003","4.98011","0.0001","7.25685","0.00016","90","","90.5625","0.0015","90","","1985.51","0.06","298","","298","","","","","","","","","4","P 1 2/c 1","-P 2yc","13","Lead(II) nonanoate, polymorph B","'Lead(II) nonanoate, polymorph B'","","- C18 H34 O4 Pb -","- C18 H34 O4 Pb -","- C72 H136 O16 Pb4 -","4","1","","Martinez-Casado, Francisco Javier Javier; Ramos Riesco, Miguel; Cheda, Jose A.; Redondo Yélamos, María Isabel; Garrido, Leoncio; Fernandez-Martinez, Alejandro; García-Barriocanal, Javier; da Silva, Ivan; Duran-Olivencia, Miguel A.; Poulain, Agnieszka","Lead(II) Soaps: Crystal Structures, Polymorphism, Solid and Liquid Mesophases","Phys. Chem. Chem. Phys.","2017","","","","","10.1039/C7CP02351K","powder diffraction","","1.54056","CuKα","","","","","","","","","4.339","4.33","","","","","","","has coordinates","197642","2020-10-21","18:00:00",""
"7228427","4.788","0.001","7.194","0.0014","25.648","0.005","87.63","0.03","85.55","0.03","89.31","0.03","880","0.3","100","2","100","2","","","","","","","","4","P -1","-P 1","2","Lead(II) octanoate","'catena-poly[[(octanoato-O,O')lead(II)]-[mu]-octanoato-O,O':O:O']","","- C16 H30 O4 Pb -","- C16 H30 O4 Pb -","- C32 H60 O8 Pb2 -","2","1","","Martinez-Casado, Francisco Javier Javier; Ramos Riesco, Miguel; Cheda, Jose A.; Redondo Yélamos, María Isabel; Garrido, Leoncio; Fernandez-Martinez, Alejandro; García-Barriocanal, Javier; da Silva, Ivan; Duran-Olivencia, Miguel A.; Poulain, Agnieszka","Lead(II) Soaps: Crystal Structures, Polymorphism, Solid and Liquid Mesophases","Phys. Chem. Chem. Phys.","2017","","","","","10.1039/C7CP02351K","","","0.7379","Synchrotron","","0.0746","0.0738","","","0.1778","0.1808","","","","","","1.052","","","","has coordinates","197642","2020-10-21","18:00:00",""
"7228428","4.86902","0.00003","7.30619","0.00005","25.6951","0.0002","88.1812","0.0008","85.2246","0.0007","89.1022","0.0007","910.367","0.011","298","","298","","","","","","","","","4","P -1","-P 1","2","Lead(II) octanoate","catena-poly[[(octanoato-O,O')lead(II)]-[mu]-octanoato-O,O':O:O']","","- C16 H30 O4 Pb -","- C16 H30 O4 Pb -","- C32 H60 O8 Pb2 -","2","1","","Martinez-Casado, Francisco Javier Javier; Ramos Riesco, Miguel; Cheda, Jose A.; Redondo Yélamos, María Isabel; Garrido, Leoncio; Fernandez-Martinez, Alejandro; García-Barriocanal, Javier; da Silva, Ivan; Duran-Olivencia, Miguel A.; Poulain, Agnieszka","Lead(II) Soaps: Crystal Structures, Polymorphism, Solid and Liquid Mesophases","Phys. Chem. Chem. Phys.","2017","","","","","10.1039/C7CP02351K","powder diffraction","","0.9941","","","","","","","","","","4.0026","1.388","","","","","","","has coordinates","197642","2020-10-21","18:00:00",""
"7228429","70.263","0.002","4.96672","0.00015","7.2705","0.0002","90","","90.564","0.003","90","","2537.11","0.13","298","","298","","","","","","","","","4","P 1 2/c 1","-P 2yc","13","Lead(II) laurate","","","- C24 H46 O4 Pb -","- C24 H46 O4 Pb -","- C96 H184 O16 Pb4 -","4","1","","Martinez-Casado, Francisco Javier Javier; Ramos Riesco, Miguel; Cheda, Jose A.; Redondo Yélamos, María Isabel; Garrido, Leoncio; Fernandez-Martinez, Alejandro; García-Barriocanal, Javier; da Silva, Ivan; Duran-Olivencia, Miguel A.; Poulain, Agnieszka","Lead(II) Soaps: Crystal Structures, Polymorphism, Solid and Liquid Mesophases","Phys. Chem. Chem. Phys.","2017","","","","","10.1039/C7CP02351K","powder diffraction","","0.8266","","","","","","","","","","6.5444","2.4","","","","","","","has coordinates","197642","2020-10-21","18:00:00",""
"7228430","85.4764","0.0013","4.96236","0.00012","7.2959","0.0002","90","","90.59","0.003","90","","3094.5","0.12","298","","298","","","","","","","","","4","P 1 2/c 1","-P 2yc","13","Lead(II) pentadecanoate","","","- C30 H58 O4 Pb -","- C30 H58 O4 Pb -","- C120 H232 O16 Pb4 -","4","1","","Martinez-Casado, Francisco Javier Javier; Ramos Riesco, Miguel; Cheda, Jose A.; Redondo Yélamos, María Isabel; Garrido, Leoncio; Fernandez-Martinez, Alejandro; García-Barriocanal, Javier; da Silva, Ivan; Duran-Olivencia, Miguel A.; Poulain, Agnieszka","Lead(II) Soaps: Crystal Structures, Polymorphism, Solid and Liquid Mesophases","Phys. Chem. Chem. Phys.","2017","","","","","10.1039/C7CP02351K","powder diffraction","","1.54056","CuKα","","","","","","","","","5.2174","1.95","","","","","","","has coordinates","197642","2020-10-21","18:00:00",""
"7228431","80.5448","0.0019","4.96393","0.00016","7.2966","0.0003","90","","90.514","0.003","90","","2917.2","0.17","298","","298","","","","","","","","","4","P 1 2/c 1","-P 2yc","13","Lead(II) myristate","","","- C28 H54 O4 Pb -","- C28 H54 O4 Pb -","- C112 H216 O16 Pb4 -","4","1","","Martinez-Casado, Francisco Javier Javier; Ramos Riesco, Miguel; Cheda, Jose A.; Redondo Yélamos, María Isabel; Garrido, Leoncio; Fernandez-Martinez, Alejandro; García-Barriocanal, Javier; da Silva, Ivan; Duran-Olivencia, Miguel A.; Poulain, Agnieszka","Lead(II) Soaps: Crystal Structures, Polymorphism, Solid and Liquid Mesophases","Phys. Chem. Chem. Phys.","2017","","","","","10.1039/C7CP02351K","powder diffraction","","1.54056","CuKα","","","","","","","","","7.2463","7.35","","","","","","","has coordinates","197642","2020-10-21","18:00:00",""
"7228432","60.021","0.002","4.9611","0.0002","7.2496","0.0004","90","","90.272","0.008","90","","2158.69","0.16","298","","298","","","","","","","","","4","P 1 2/c 1","-P 2yc","13","Lead(II) decanoate, polymorph B","'Lead(II) decanoate, polymorph B'","","- C20 H38 O4 Pb -","- C20 H38 O4 Pb -","- C80 H152 O16 Pb4 -","4","1","","Martinez-Casado, Francisco Javier Javier; Ramos Riesco, Miguel; Cheda, Jose A.; Redondo Yélamos, María Isabel; Garrido, Leoncio; Fernandez-Martinez, Alejandro; García-Barriocanal, Javier; da Silva, Ivan; Duran-Olivencia, Miguel A.; Poulain, Agnieszka","Lead(II) Soaps: Crystal Structures, Polymorphism, Solid and Liquid Mesophases","Phys. Chem. Chem. Phys.","2017","","","","","10.1039/C7CP02351K","powder diffraction","","0.9941","","","","","","","","","","6.3563","0.405","","","","","","","has coordinates","197642","2020-10-21","18:00:00",""
"7228433","65.15169","","4.97107","","7.27081","","90","","90.4984","","90","","2354.73","","298","","298","","","","","","","","","4","P 1 2/c 1","-P 2yc","13","Lead(II) undecanoate","","","- C22 H42 O4 Pb -","- C22 H42 O4 Pb -","- C88 H168 O16 Pb4 -","4","1","","Martinez-Casado, Francisco Javier Javier; Ramos Riesco, Miguel; Cheda, Jose A.; Redondo Yélamos, María Isabel; Garrido, Leoncio; Fernandez-Martinez, Alejandro; García-Barriocanal, Javier; da Silva, Ivan; Duran-Olivencia, Miguel A.; Poulain, Agnieszka","Lead(II) Soaps: Crystal Structures, Polymorphism, Solid and Liquid Mesophases","Phys. Chem. Chem. Phys.","2017","","","","","10.1039/C7CP02351K","powder diffraction","","1.54056","CuKα","","","","","","","","","6.7044","4.04","","","","","","","has coordinates","197642","2020-10-21","18:00:00",""
"7228434","100.8473","0.0019","4.95888","0.00018","7.303","0.0004","90","","90.488","0.004","90","","3652","0.2","298","","298","","","","","","","","","4","P 1 2/c 1","-P 2yc","13","Lead(II) stearate","Lead(II) octadecanoate","","- C36 H70 O4 Pb -","- C36 H70 O4 Pb -","- C144 H280 O16 Pb4 -","4","1","","Martinez-Casado, Francisco Javier Javier; Ramos Riesco, Miguel; Cheda, Jose A.; Redondo Yélamos, María Isabel; Garrido, Leoncio; Fernandez-Martinez, Alejandro; García-Barriocanal, Javier; da Silva, Ivan; Duran-Olivencia, Miguel A.; Poulain, Agnieszka","Lead(II) Soaps: Crystal Structures, Polymorphism, Solid and Liquid Mesophases","Phys. Chem. Chem. Phys.","2017","","","","","10.1039/C7CP02351K","powder diffraction","","1.54056","CuKα","","","","","","","","","4.4806","8.05","","","","","","","has coordinates","197642","2020-10-21","18:00:00",""
"7228435","10.95","0.004","14.31","0.005","22.145","0.007","106.075","0.004","93.766","0.004","98.308","0.004","3279","2","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C71 H82 Lu N7 S2 -","- C71 H82 Lu N7 S2 -","- C142 H164 Lu2 N14 S4 -","2","1","","Kong, Feng; Li, Meng; Zhou, Xigeng; Zhang, Lixin","Synthesis, structure and reactivity of guanidinate rare earth metal bis(o-aminobenzyl) complexes","RSC Adv.","2017","7","47","29752","","10.1039/C7RA04524G","","","0.71073","MoKα","","0.053","0.0405","","","0.1294","0.1465","","","","","","1.044","","","","has coordinates","197643","2020-10-21","18:00:00",""
"7228436","13.052","0.003","16.105","0.003","16.969","0.006","103.98","0.003","104.552","0.003","112.507","0.002","2953.2","1.4","273","2","273","2","","","","","","","","5","P -1","-P 1","2","","","","- C59 H72 Dy N5 O4 -","- C59 H72 Dy N5 O4 -","- C118 H144 Dy2 N10 O8 -","2","1","","Kong, Feng; Li, Meng; Zhou, Xigeng; Zhang, Lixin","Synthesis, structure and reactivity of guanidinate rare earth metal bis(o-aminobenzyl) complexes","RSC Adv.","2017","7","47","29752","","10.1039/C7RA04524G","","","0.71073","MoKα","","0.0454","0.0349","","","0.0916","0.094","","","","","","0.983","","","","has coordinates","197643","2020-10-21","18:00:00",""
"7228437","15.488","0.002","23.909","0.003","31.418","0.004","90","","98.781","0.002","90","","11498","3","273","2","273","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C114 H144 N10 S4 Y2 -","- C114 H144 N10 S4 Y2 -","- C456 H576 N40 S16 Y8 -","4","1","","Kong, Feng; Li, Meng; Zhou, Xigeng; Zhang, Lixin","Synthesis, structure and reactivity of guanidinate rare earth metal bis(o-aminobenzyl) complexes","RSC Adv.","2017","7","47","29752","","10.1039/C7RA04524G","","","0.71073","MoKα","","0.0915","0.0491","","","0.1116","0.1212","","","","","","1.042","","","","has coordinates","197643","2020-10-21","18:00:00",""
"7228438","13.05","0.002","26.302","0.005","19.537","0.004","90","","104.17","0.003","90","","6502","2","296","2","296","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C71 H82 N7 S2 Y -","- C71 H82 N7 S2 Y -","- C284 H328 N28 S8 Y4 -","4","0.5","","Kong, Feng; Li, Meng; Zhou, Xigeng; Zhang, Lixin","Synthesis, structure and reactivity of guanidinate rare earth metal bis(o-aminobenzyl) complexes","RSC Adv.","2017","7","47","29752","","10.1039/C7RA04524G","","","0.71073","MoKα","","0.0702","0.044","","","0.1154","0.1348","","","","","","1.032","","","","has coordinates","197643","2020-10-21","18:00:00",""
"7228439","14.1932","0.0016","15.3802","0.0018","30.149","0.004","94.987","0.002","92.195","0.002","116.551","0.001","5843","1.2","273","2","273","2","","","","","","","","5","P -1","-P 1","2","","","","- C114 H144 Lu2 N10 S4 -","- C114 H144 Lu2 N10 S4 -","- C228 H288 Lu4 N20 S8 -","2","1","","Kong, Feng; Li, Meng; Zhou, Xigeng; Zhang, Lixin","Synthesis, structure and reactivity of guanidinate rare earth metal bis(o-aminobenzyl) complexes","RSC Adv.","2017","7","47","29752","","10.1039/C7RA04524G","","","0.71073","MoKα","","0.0593","0.0379","","","0.0959","0.1027","","","","","","1.029","","","","has coordinates","197643","2020-10-21","18:00:00",""
"7228440","10.323","0.008","10.93","0.008","16.132","0.012","79.031","0.007","82.038","0.009","82.388","0.009","1759","2","293","2","293","2","","","","","","","","3","P -1","-P 1","2","","","","- C39 H48 N3 -","- C39 H48 N3 -","- C78 H96 N6 -","2","1","","Kong, Feng; Li, Meng; Zhou, Xigeng; Zhang, Lixin","Synthesis, structure and reactivity of guanidinate rare earth metal bis(o-aminobenzyl) complexes","RSC Adv.","2017","7","47","29752","","10.1039/C7RA04524G","","","0.71073","MoKα","","0.0877","0.0618","","","0.176","0.1995","","","","","","1.047","","","","has coordinates","197643","2020-10-21","18:00:00",""
"7228441","13.114","0.003","26.401","0.006","19.568","0.005","90","","104.312","0.003","90","","6565","3","273","2","273","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C71 H82 Dy N7 S2 -","- C71 H82 Dy N7 S2 -","- C284 H328 Dy4 N28 S8 -","4","0.5","","Kong, Feng; Li, Meng; Zhou, Xigeng; Zhang, Lixin","Synthesis, structure and reactivity of guanidinate rare earth metal bis(o-aminobenzyl) complexes","RSC Adv.","2017","7","47","29752","","10.1039/C7RA04524G","","","0.71073","MoKα","","0.0898","0.0783","","","0.1827","0.1915","","","","","","1.006","","","","has coordinates","197643","2020-10-21","18:00:00",""
"7228442","13.0131","0.0013","16.0451","0.0016","16.917","0.003","103.838","0.002","104.826","0.002","112.459","0.002","2922.6","0.7","296","2","296","2","","","","","","","","5","P -1","-P 1","2","","","","- C59 H72 Lu N5 O4 -","- C59 H72 Lu N5 O4 -","- C118 H144 Lu2 N10 O8 -","2","1","","Kong, Feng; Li, Meng; Zhou, Xigeng; Zhang, Lixin","Synthesis, structure and reactivity of guanidinate rare earth metal bis(o-aminobenzyl) complexes","RSC Adv.","2017","7","47","29752","","10.1039/C7RA04524G","","","0.71073","MoKα","","0.0455","0.037","","","0.1056","0.1097","","","","","","1.001","","","","has coordinates","197643","2020-10-21","18:00:00",""
"7228443","15.4557","0.0017","23.843","0.003","31.373","0.004","90","","98.92","0.001","90","","11421","2","273","2","273","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C114 H144 Dy2 N10 S4 -","- C114 H144 Dy2 N10 S4 -","- C456 H576 Dy8 N40 S16 -","4","1","","Kong, Feng; Li, Meng; Zhou, Xigeng; Zhang, Lixin","Synthesis, structure and reactivity of guanidinate rare earth metal bis(o-aminobenzyl) complexes","RSC Adv.","2017","7","47","29752","","10.1039/C7RA04524G","","","0.71073","MoKα","","0.0718","0.0409","","","0.077","0.0823","","","","","","1.014","","","","has coordinates","197643","2020-10-21","18:00:00",""
"7228444","17.229","0.002","16.7584","0.0019","20.095","0.002","90","","107.672","0.001","90","","5528.2","1.1","273","2","273","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C59 H72 La N5 O4 -","- C59 H72 La N5 O4 -","- C236 H288 La4 N20 O16 -","4","1","","Kong, Feng; Li, Meng; Zhou, Xigeng; Zhang, Lixin","Synthesis, structure and reactivity of guanidinate rare earth metal bis(o-aminobenzyl) complexes","RSC Adv.","2017","7","47","29752","","10.1039/C7RA04524G","","","0.71073","MoKα","","0.0549","0.0379","","","0.1046","0.1213","","","","","","1.051","","","","has coordinates","197643","2020-10-21","18:00:00",""
"7228445","24.986","0.007","24.986","0.007","47.359","0.009","90","","90","","120","","25605","11","293","2","293","2","","","","","","","","4","R -3 c :H","-R 3 2""c","167","","","","- C57 H72 Lu N5 -","- C57 H72 Lu N5 -","- C1026 H1296 Lu18 N90 -","18","0.5","","Kong, Feng; Li, Meng; Zhou, Xigeng; Zhang, Lixin","Synthesis, structure and reactivity of guanidinate rare earth metal bis(o-aminobenzyl) complexes","RSC Adv.","2017","7","47","29752","","10.1039/C7RA04524G","","","0.71073","MoKα","","0.0419","0.0333","","","0.0903","0.0948","","","","","","0.997","","","","has coordinates","197643","2020-10-21","18:00:00",""
"7228446","13.041","0.005","16.053","0.006","16.979","0.011","103.789","0.01","104.711","0.01","112.479","0.007","2945","3","296","2","296","2","","","","","","","","5","P -1","-P 1","2","","","","- C59 H72 N5 O4 Y -","- C59 H72 N5 O4 Y -","- C118 H144 N10 O8 Y2 -","2","1","","Kong, Feng; Li, Meng; Zhou, Xigeng; Zhang, Lixin","Synthesis, structure and reactivity of guanidinate rare earth metal bis(o-aminobenzyl) complexes","RSC Adv.","2017","7","47","29752","","10.1039/C7RA04524G","","","0.71073","MoKα","","0.1219","0.0819","","","0.2077","0.2282","","","","","","1.044","","","","has coordinates","197643","2020-10-21","18:00:00",""
"7228447","11.2502","0.0005","7.188","0.0004","21.7868","0.0015","90","","90","","90","","1761.82","0.17","122.7","0.3","122.7","0.3","","","","","","","","4","P b c a","-P 2ac 2ab","61","MC_U co-crystal","m-cresol_urea","","- C8 H12 N2 O2 -","- C8 H12 N2 O2 -","- C64 H96 N16 O16 -","8","1","","Wang, Na; Hao, Hongxun; Lu, Haijiao; Xu, Ruilin","Molecular recognition and self-assembly mechanism of cocrystallization process","CrystEngComm","2017","","","","","10.1039/C7CE00713B","","","0.71073","MoKα","","0.0746","0.0552","","","0.1344","0.1472","","","","","","1.104","","","","has coordinates","197672","2020-10-21","18:00:00",""
"7228448","8.461","0.0017","8.506","0.0017","9.302","0.0019","98.71","0.03","98.91","0.03","103.81","0.03","629.8","0.3","173","2","173","2","","","","","","","","5","P -1","-P 1","2","","","","- C6 H9 Ba O10 P3 -","- C6 H9 Ba O10 P3 -","- C12 H18 Ba2 O20 P6 -","2","1","","Gelfand, Benjamin S.; Taylor, Jared M.; Shimizu, George K. H.","Extracting structural trends from systematic variation of phosphonate/phosphonate monoester coordination polymers","CrystEngComm","2017","","","","","10.1039/C7CE00579B","","","0.71073","MoKα","","0.0274","0.0237","","","0.0525","0.0542","","","","","","1.063","","","","has coordinates,has disorder","197673","2020-10-21","18:00:00",""
"7228449","11.616","0.002","15.242","0.003","17.613","0.004","67.65","0.03","82.28","0.03","82.8","0.03","2848.6","1.2","173","2","173.15","","","","","","","","","5","P -1","-P 1","2","","","","- C30 H72 Ba3 O30 P6 -","- C30 H72 Ba3 O30 P6 -","- C60 H144 Ba6 O60 P12 -","2","1","","Gelfand, Benjamin S.; Taylor, Jared M.; Shimizu, George K. H.","Extracting structural trends from systematic variation of phosphonate/phosphonate monoester coordination polymers","CrystEngComm","2017","","","","","10.1039/C7CE00579B","","","0.71069","MoKα","","0.0861","0.0614","","","0.116","0.1325","","","","","","1.153","","","","has coordinates,has disorder","197673","2020-10-21","18:00:00",""
"7228450","26.457","0.005","6.0072","0.0012","21.021","0.004","90","","90","","90","","3340.9","1.1","173","2","173","2","","","","","","","","5","C m c m","-C 2c 2","63","","","","- C12 H18 Ba O6 P2 -","- C12 H18 Ba O6 P2 -","- C96 H144 Ba8 O48 P16 -","8","0.5","","Gelfand, Benjamin S.; Taylor, Jared M.; Shimizu, George K. H.","Extracting structural trends from systematic variation of phosphonate/phosphonate monoester coordination polymers","CrystEngComm","2017","","","","","10.1039/C7CE00579B","","","0.71073","MoKα","","0.0827","0.0685","","","0.1587","0.1663","","","","","","1.072","","","","has coordinates,has disorder","197673","2020-10-21","18:00:00",""
"7228451","3.8706","0.0002","7.4727","0.0004","18.936","0.0012","90","","90.335","0.006","90","","547.69","0.05","293","2","293","2","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","2,7-dimethyl-1,3,6,8-Tetraazapyrene","","- C14 H10 N4 -","- C14 H10 N4 -","- C28 H20 N8 -","2","0.5","","Aksenov, Alexander V.; Ovcharov, Dmitrii S.; Aksenov, Nicolai A.; Aksenov, Dmitrii A.; Nadein, Oleg N.; Rubin, Michael","Dual role of polyphosphoric acid-activated nitroalkanes in oxidative peri-annulations: efficient synthesis of 1,3,6,8-tetraazapyrenes","RSC Adv.","2017","7","48","29927","","10.1039/C7RA04751G","","x-ray","1.54184","CuKα","","0.0518","0.0455","","","0.1312","0.1457","","","","","","1.139","","","","has coordinates","197680","2020-10-21","18:00:00",""
"7228452","17.77","0.0004","18.09","0.0005","19.19","0.002","112.63","","96.4","","99.29","","5516.2","0.6","100","","100","","","","","","","","","5","P 1","P 1","1","","","","- C225.11 H259.71 Cl8.74 N24 O42.2 -","- C225.115 H259.733 Cl8.727 N24 O42.206 -","- C225.115 H259.733 Cl8.727 N24 O42.206 -","1","1","","Szymański, M. P.; Jędrzejewska, H.; Wierzbicki, M.; Szumna, A.","On the mechanism of mechanochemical molecular encapsulation in peptidic capsules","Phys. Chem. Chem. Phys.","2017","","","","","10.1039/C7CP02603J","","","0.7085","synchrotron","","0.064","0.0633","","","0.1761","0.1774","","","","","","1.025","","","","has coordinates,has disorder","197732","2020-10-21","18:00:00",""
"7228454","6.67372","0.00005","6.67372","0.00005","23.629","0.0003","90","","90","","90","","1052.4","0.017","298","2","298","2","","","","","","","","5","P 41 21 2","P 4abw 2nw","92","cytosine/5-flucytosine solid solution I","4-aminopyrimidin-2(1H)-one/4-amino-5-fluoro-pyrimidin-2(1H)-one","","- C4 H4.393 F0.607 N3 O -","- C4 H4.393 F0.607 N3 O -","- C32 H35.144 F4.856 N24 O8 -","8","1","","Braun, Doris Elfriede; Griesser, Ulrich J.","Prediction and Experimental Validation of Solid Solutions and Isopolymorphs of Cytosine/5-Flucytosine","CrystEngComm","2017","","","","","10.1039/C7CE00939A","powder diffraction","","1.5418","","","","","","","","","","","1.983","","","","","","","has coordinates","197754","2020-10-21","18:00:00",""
"7228455","4.00808","0.00009","9.43931","0.00011","13.0306","0.0002","90","","91.179","0.002","90","","492.889","0.015","298","2","298","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","cytosine/5-flucytosine solid solution I","4-aminopyrimidin-2(1H)-one/4-amino-5-fluoro-pyrimidin-2(1H)-one","","- C4 H4.359 F0.641 N3 O -","- C4 H4.359 F0.641 N3 O -","- C16 H17.436 F2.564 N12 O4 -","4","1","","Braun, Doris Elfriede; Griesser, Ulrich J.","Prediction and Experimental Validation of Solid Solutions and Isopolymorphs of Cytosine/5-Flucytosine","CrystEngComm","2017","","","","","10.1039/C7CE00939A","powder diffraction","","1.5418","","","","","","","","","","","1.798","","","","","","","has coordinates","197755","2020-10-21","18:00:00",""
"7228456","10.7089","0.0007","11.6927","0.0009","13.5483","0.0011","114.506","0.008","99.354","0.006","104.113","0.006","1428.7","0.2","291","2","291","2","","","","","","","","4","P -1","-P 1","2","","","","- C26 H43 B3 O6 -","- C26 H43 B3 O6 -","- C52 H86 B6 O12 -","2","1","","Gao, Guoliang; Yan, Jianxiang; Yang, Kai; Chen, Fen er; Song, Qiuling","Base-Controlled Highly Selective Synthesis of Alkyl 1,2-Bis(boronates) or 1,1,2-Tris(boronates) from Terminal Alkynes","Green Chem.","2017","","","","","10.1039/C7GC01161J","","","0.71073","MoKα","","0.0955","0.0702","","","0.1945","0.2191","","","","","","1.0465","","","","has coordinates","197760","2020-10-21","18:00:00",""
"7228457","16.9657","0.0008","17.2724","0.0008","25.7174","0.0012","90","","106.578","0.005","90","","7222.9","0.6","293","2","293","2","","","","","","","","7","C 1 2/c 1","-C 2yc","15","","","","- C24 H53 Ag4 Mo12 O48 P S8 -","- C23.5 H53 Ag4 Mo12 O48 P S8 -","- C94 H212 Ag16 Mo48 O192 P4 S32 -","4","0.5","","Hu, Ting; Li, Yu-Hang; Kuang, Xiao-Fei; Lu, Can-Zhong","Synthesis and characterization of polyoxometalate-based silver(i) phenylethynide compounds with antibacterial and antifungal activities","CrystEngComm","2017","","","","","10.1039/C7CE00180K","","","0.71073","MoKα","","0.1743","0.1655","","","0.3103","0.314","","","","","","1.127","","","","has coordinates,has disorder","197787","2020-10-21","18:00:00",""
"7228458","17.0815","0.0006","17.3104","0.0005","25.7879","0.0009","90","","106.596","0.004","90","","7307.5","0.4","293","2","293","2","","","","","","","","7","C 1 2/c 1","-C 2yc","15","","","","- C24 H53 Ag4 O48 P S8 W12 -","- C23.5 H53 Ag4 O48 P S8 W12 -","- C94 H212 Ag16 O192 P4 S32 W48 -","4","0.5","","Hu, Ting; Li, Yu-Hang; Kuang, Xiao-Fei; Lu, Can-Zhong","Synthesis and characterization of polyoxometalate-based silver(i) phenylethynide compounds with antibacterial and antifungal activities","CrystEngComm","2017","","","","","10.1039/C7CE00180K","","","0.71073","MoKα","","0.1125","0.1027","","","0.2183","0.2217","","","","","","1.219","","","","has coordinates,has disorder","197787","2020-10-21","18:00:00",""
"7228459","13.6613","0.0015","18.0152","0.0009","18.7774","0.0006","93.702","0.003","101.547","0.006","101.388","0.007","4412.5","0.6","173","","173","","","","","","","","","7","P -1","-P 1","2","","","","- C144 H132 Ag19 O50 P S8 W12 -","- C144 H108 Ag19 O50 P S8 W12 -","- C144 H108 Ag19 O50 P S8 W12 -","1","0.5","","Hu, Ting; Li, Yu-Hang; Kuang, Xiao-Fei; Lu, Can-Zhong","Synthesis and characterization of polyoxometalate-based silver(i) phenylethynide compounds with antibacterial and antifungal activities","CrystEngComm","2017","","","","","10.1039/C7CE00180K","","","0.71073","MoKα","","0.0712","0.0364","","","0.0707","0.0783","","","","","","0.956","","","","has coordinates","197787","2020-10-21","18:00:00",""
"7228460","33.174","0.004","8.3649","0.0005","32.717","0.004","90","","114.198","0.014","90","","8281.2","1.8","293","2","293","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C37 H32 Ag5 F3 O5 S3 -","- C37 H20 Ag5 F3 O5 S3 -","- C296 H160 Ag40 F24 O40 S24 -","8","1","","Hu, Ting; Li, Yu-Hang; Kuang, Xiao-Fei; Lu, Can-Zhong","Synthesis and characterization of polyoxometalate-based silver(i) phenylethynide compounds with antibacterial and antifungal activities","CrystEngComm","2017","","","","","10.1039/C7CE00180K","","","0.71073","MoKα","","0.1155","0.0606","","","0.0651","0.0735","","","","","","1.193","","","","has coordinates,has disorder","197787","2020-10-21","18:00:00",""
"7228461","20.6616","0.0012","22.0358","0.0012","30.4391","0.0018","90","","105.96","0.006","90","","13324.6","1.4","293","2","293","2","","","","","","","","7","C 1 2/c 1","-C 2yc","15","","","","- C84 H100 Ag12 O50 S10 Si W12 -","- C84 H96.4 Ag12 O50 S10 Si W12 -","- C336 H385.6 Ag48 O200 S40 Si4 W48 -","4","0.5","","Hu, Ting; Li, Yu-Hang; Kuang, Xiao-Fei; Lu, Can-Zhong","Synthesis and characterization of polyoxometalate-based silver(i) phenylethynide compounds with antibacterial and antifungal activities","CrystEngComm","2017","","","","","10.1039/C7CE00180K","","","0.71073","MoKα","","0.1079","0.0569","","","0.0805","0.0891","","","","","","1.204","","","","has coordinates","197787","2020-10-21","18:00:00",""
"7228462","13.5633","0.0006","15.5962","0.0006","18.8084","0.0009","86.273","0.004","85.954","0.004","85.935","0.004","3951.5","0.3","293","2","293","2","","","","","","","","7","P -1","-P 1","2","","","","- C28 H65 Ag5 O50 S10 Si W12 -","- C28 H65 Ag5 O50 S10 Si W12 -","- C56 H130 Ag10 O100 S20 Si2 W24 -","2","1","","Hu, Ting; Li, Yu-Hang; Kuang, Xiao-Fei; Lu, Can-Zhong","Synthesis and characterization of polyoxometalate-based silver(i) phenylethynide compounds with antibacterial and antifungal activities","CrystEngComm","2017","","","","","10.1039/C7CE00180K","","","0.71073","MoKα","","0.1172","0.0726","","","0.0767","0.082","","","","","","1.091","","","","has coordinates","197787","2020-10-21","18:00:00",""
"7228463","10.278","0.003","10.999","0.003","14.002","0.004","102.274","0.007","100.019","0.007","109.594","0.006","1404.5","0.7","323","","323","","","","","","","","","5","P -1","-P 1","2","","","","- C27.45 H26.3 Cd N4.48 O6.48 -","- C27.455 H26.307 Cd N4.485 O6.485 -","- C54.91 H52.614 Cd2 N8.97 O12.97 -","2","1","","Tahier, Tayyibah; Oliver, Clive L.","A Cd mixed-ligand MOF showing Ligand-Disorder Induced Breathing Behaviour at High Temperature and Stepwise, Selective Carbon Dioxide Adsorption at Low Temperature","CrystEngComm","2017","","","","","10.1039/C7CE00715A","","","0.71073","MoKα","","0.0791","0.0704","","","0.2059","0.2135","","","","","","1.1","","","","has coordinates,has disorder","197788","2020-10-21","18:00:00",""
"7228464","10.234","0.0005","10.8368","0.0006","13.8265","0.0007","100.767","0.001","102.256","0.001","108.843","0.001","1363.02","0.12","104.15","","104.15","","","","","","","","","5","P -1","-P 1","2","","","","- C27.86 H25.34 Cd N4.62 O6.62 -","- C27.872 H25.368 Cd N4.624 O6.624 -","- C55.744 H50.736 Cd2 N9.248 O13.248 -","2","1","","Tahier, Tayyibah; Oliver, Clive L.","A Cd mixed-ligand MOF showing Ligand-Disorder Induced Breathing Behaviour at High Temperature and Stepwise, Selective Carbon Dioxide Adsorption at Low Temperature","CrystEngComm","2017","","","","","10.1039/C7CE00715A","","","0.71073","MoKα","","0.0362","0.0355","","","0.1057","0.1063","","","","","","1.141","","","","has coordinates,has disorder","197788","2020-10-21","18:00:00",""
"7228465","10.27","0.001","10.9495","0.0011","13.9134","0.0013","101.807","0.002","100.473","0.002","109.366","0.002","1391","0.2","298","2","298","2","","","","","","","","5","P -1","-P 1","2","","","","- C26 H21 Cd N4 O6 -","- C26 H21 Cd N4 O6 -","- C52 H42 Cd2 N8 O12 -","2","1","","Tahier, Tayyibah; Oliver, Clive L.","A Cd mixed-ligand MOF showing Ligand-Disorder Induced Breathing Behaviour at High Temperature and Stepwise, Selective Carbon Dioxide Adsorption at Low Temperature","CrystEngComm","2017","","","","","10.1039/C7CE00715A","","","0.71073","MoKα","","0.0235","0.0219","","","0.0562","0.057","","","","","","1.075","","","","has coordinates,has disorder","197788","2020-10-21","18:00:00",""
"7228466","10.27","0.001","10.9495","0.0011","13.9134","0.0013","101.807","0.002","100.473","0.002","109.366","0.002","1391","0.2","298.15","","298.15","","","","","","","","","5","P -1","-P 1","2","","","","- C27.69 H24.94 Cd N4.57 O6.57 -","- C27.698 H24.962 Cd N4.566 O6.566 -","- C55.396 H49.924 Cd2 N9.132 O13.132 -","2","1","","Tahier, Tayyibah; Oliver, Clive L.","A Cd mixed-ligand MOF showing Ligand-Disorder Induced Breathing Behaviour at High Temperature and Stepwise, Selective Carbon Dioxide Adsorption at Low Temperature","CrystEngComm","2017","","","","","10.1039/C7CE00715A","","","0.71073","MoKα","","0.0317","0.0299","","","0.0929","0.0942","","","","","","1.119","","","","has coordinates,has disorder","197788","2020-10-21","18:00:00",""
"7228467","27.33","0.006","10.234","0.002","20.922","0.005","90","","110.635","0.007","90","","5476","2","373.15","","373.15","","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C26 H21 Cd N4 O6 -","- C26 H21 Cd N4 O6 -","- C208 H168 Cd8 N32 O48 -","8","1","","Tahier, Tayyibah; Oliver, Clive L.","A Cd mixed-ligand MOF showing Ligand-Disorder Induced Breathing Behaviour at High Temperature and Stepwise, Selective Carbon Dioxide Adsorption at Low Temperature","CrystEngComm","2017","","","","","10.1039/C7CE00715A","","","0.71073","MoKα","","0.1198","0.0608","","","0.1558","0.1884","","","","","","1.017","","","","has coordinates,has disorder","197788","2020-10-21","18:00:00",""
"7228468","11.936","0.002","5.4322","0.001","9.1679","0.0018","90","","90","","90","","594.44","0.19","296","2","296","2","","","","","","","","3","P n m a","-P 2ac 2n","62","","","","- Ba Fe1.95 Se3 -","- Ba Fe1.95 Se3 -","- Ba4 Fe7.8 Se12 -","4","0.5","","Gao, Juanjuan; Teng, Yifei; Liu, Wei; Chen, Shufan; Tong, Wenming; Li, Min; Zhao, Xudong; Liu, Xiaoyang","The synthesis and magnetic properties of BaFe2Se3 single crystals","RSC Adv.","2017","7","48","30433","","10.1039/C7RA03031B","","","0.71073","MoKα","","0.0452","0.0433","","","0.1063","0.1072","","","","","","1.028","","","","has coordinates","197802","2020-10-21","18:00:00",""
"7228469","10.391","0.0004","17.2188","0.0006","8.7009","0.0003","90","","98.489","0.004","90","","1539.71","0.1","293","2","298","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C20 H17 N O2 -","- C20 H17 N O2 -","- C80 H68 N4 O8 -","4","1","","Zhang, Zhenhui; Liu, Kunkun; Chen, Xun; Su, Shi-Jian; Deng, Yuanfu; Zeng, Wei","Rhodium(iii)-catalyzed indole-directed carbenoid aryl C‒H insertion/cyclization: access to 1,2-benzocarbazoles","RSC Adv.","2017","7","49","30554","","10.1039/C7RA04889K","","","1.54178","CuKα","","0.045","0.0388","","","0.119","0.1278","","","","","","1.02","","","","has coordinates","206958","2020-10-21","18:00:00",""
"7228470","12.2335","0.0005","13.079","0.0006","14.4423","0.0005","95.978","0.003","106.554","0.004","105.092","0.004","2098.54","0.17","571","2","571","2","","","","","","","","5","P -1","-P 1","2","","","","- C26 H22 F N O4 -","- C26 H22 F N O4 -","- C104 H88 F4 N4 O16 -","4","2","","Zhang, Zhenhui; Liu, Kunkun; Chen, Xun; Su, Shi-Jian; Deng, Yuanfu; Zeng, Wei","Rhodium(iii)-catalyzed indole-directed carbenoid aryl C‒H insertion/cyclization: access to 1,2-benzocarbazoles","RSC Adv.","2017","7","49","30554","","10.1039/C7RA04889K","","","1.54184","CuKα","","0.072","0.0631","","","0.1835","0.1957","","","","","","1.057","","","","has coordinates","202518","2020-10-21","18:00:00",""
"7228471","9.8358","0.0008","10.7665","0.0009","11.2441","0.0009","116.847","0.001","91.728","0.001","113.18","0.001","944.71","0.13","293","2","293","2","","","","","","","","6","P -1","-P 1","2","","","","- C8 H10 Ag2 Mo4 N4 O13 -","- C8 H8 Ag2 Mo4 N4 O13 -","- C16 H16 Ag4 Mo8 N8 O26 -","2","1","","Tian, Aixiang; Ni, Huaiping; Ji, Xuebin; Tian, Yan; Liu, Guocheng; Ying, Jun","Influence of pendant 2-[1,2,4]triazol-4-yl-ethylamine and symmetrical bis(pyrazol) ligands on dimensional extension of POM-based compounds","RSC Adv.","2017","7","49","30573","","10.1039/C7RA03884D","","","0.71073","MoKα","","0.053","0.0387","","","0.0856","0.0923","","","","","","0.987","","","","has coordinates","197843","2020-10-21","18:00:00",""
"7228472","8.224","0.006","10.388","0.007","12.836","0.009","84.46","0.014","80.618","0.015","68.544","0.012","1006.1","1.2","293","2","293","2","","","","","","","","7","P -1","-P 1","2","","","","- C11 H16 Cr0 Cu Mo4 N4 O13 -","- C11 H14 Cu Mo4 N4 O13 -","- C22 H28 Cu2 Mo8 N8 O26 -","2","1","","Tian, Aixiang; Ni, Huaiping; Ji, Xuebin; Tian, Yan; Liu, Guocheng; Ying, Jun","Influence of pendant 2-[1,2,4]triazol-4-yl-ethylamine and symmetrical bis(pyrazol) ligands on dimensional extension of POM-based compounds","RSC Adv.","2017","7","49","30573","","10.1039/C7RA03884D","","","0.71073","MoKα","","0.1277","0.0683","","","0.1549","0.1747","","","","","","0.903","","","","has coordinates","197843","2020-10-21","18:00:00",""
"7228473","10.1653","0.0005","12.4265","0.0006","12.5934","0.0006","90","","99.957","0.001","90","","1566.83","0.13","293","2","293","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C4 H10 Ag Mo4 N4 O13 -","- C4 H8 Ag Mo4 N4 O13 -","- C16 H32 Ag4 Mo16 N16 O52 -","4","1","","Tian, Aixiang; Ni, Huaiping; Ji, Xuebin; Tian, Yan; Liu, Guocheng; Ying, Jun","Influence of pendant 2-[1,2,4]triazol-4-yl-ethylamine and symmetrical bis(pyrazol) ligands on dimensional extension of POM-based compounds","RSC Adv.","2017","7","49","30573","","10.1039/C7RA03884D","","","0.71073","MoKα","","0.0317","0.028","","","0.0649","0.0668","","","","","","1.01","","","","has coordinates","197843","2020-10-21","18:00:00",""
"7228474","8.4612","0.0007","10.5659","0.0011","10.7372","0.0009","100.957","0.002","102.211","0.002","100.545","0.002","895.82","0.14","293","2","293","2","","","","","","","","8","P -1","-P 1","2","","","","- C8 H16 Cr0 Cu3 K2 Mo8 N8 O31 -","- C8 H16 Cu3 K2 Mo8 N8 O31 -","- C8 H16 Cu3 K2 Mo8 N8 O31 -","1","0.5","","Tian, Aixiang; Ni, Huaiping; Ji, Xuebin; Tian, Yan; Liu, Guocheng; Ying, Jun","Influence of pendant 2-[1,2,4]triazol-4-yl-ethylamine and symmetrical bis(pyrazol) ligands on dimensional extension of POM-based compounds","RSC Adv.","2017","7","49","30573","","10.1039/C7RA03884D","","","0.71073","MoKα","","0.047","0.0396","","","0.1203","0.1248","","","","","","1.077","","","","has coordinates","197843","2020-10-21","18:00:00",""
"7228475","8.6207","0.0003","18.0125","0.0007","11.1084","0.0004","90","","106.579","0.001","90","","1653.21","0.11","293","2","293","2","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C4 H12 Ag Cr0 Mo4 N4 O14 -","- C4 H8 Ag Mo4 N4 O14 -","- C16 H32 Ag4 Mo16 N16 O56 -","4","1","","Tian, Aixiang; Ni, Huaiping; Ji, Xuebin; Tian, Yan; Liu, Guocheng; Ying, Jun","Influence of pendant 2-[1,2,4]triazol-4-yl-ethylamine and symmetrical bis(pyrazol) ligands on dimensional extension of POM-based compounds","RSC Adv.","2017","7","49","30573","","10.1039/C7RA03884D","","","0.71073","MoKα","","0.0272","0.024","","","0.0609","0.0626","","","","","","1.019","","","","has coordinates","197843","2020-10-21","18:00:00",""
"7228476","16.2181","0.0009","16.1822","0.0008","7.9215","0.0004","90","","90","","90","","2078.95","0.19","123","0.1","123","0.1","","","","","","","","4","P m m n","-P 2ab 2a","59","","","","- C41 H45 Br4 O10 -","- C41 H45 Br4 O10 -","- C82 H90 Br8 O20 -","2","","","Puttreddy, Rakesh; Beyeh, Ngong Kodiah; Ras, Robin H.A.; Trant, John; Rissanen, Kari","Endo-/Exo- and Halogen Bonded Complexes of Conformationally Rigid Cethyl-2-bromoresorcinarene and aromatic N-oxides","CrystEngComm","2017","","","","","10.1039/C7CE00975E","","x-ray","1.54184","CuKα","","0.0497","0.0408","","","0.1006","0.1057","","","","","","1.059","","","","has coordinates,has disorder","197869","2020-10-21","18:00:00",""
"7228477","13.8485","0.0006","13.921","0.0004","14.3337","0.0004","90.848","0.002","115.869","0.004","90.012","0.003","2486.08","0.17","120","0.1","120","0.1","","","","","","","","5","P -1","-P 1","2","","","","- C51 H56 Br4 N2 O11 -","- C51 H56 Br4 N2 O11 -","- C102 H112 Br8 N4 O22 -","2","1","","Puttreddy, Rakesh; Beyeh, Ngong Kodiah; Ras, Robin H.A.; Trant, John; Rissanen, Kari","Endo-/Exo- and Halogen Bonded Complexes of Conformationally Rigid Cethyl-2-bromoresorcinarene and aromatic N-oxides","CrystEngComm","2017","","","","","10.1039/C7CE00975E","","x-ray","1.54184","CuKα","","0.0438","0.0381","","","0.0931","0.0966","","","","","","1.089","","","","has coordinates","197869","2020-10-21","18:00:00",""
"7228478","13.6699","0.0003","13.7198","0.0004","14.702","0.0005","114.673","0.003","90.898","0.002","92.597","0.002","2501.21","0.14","120.01","0.1","120.01","0.1","","","","","","","","5","P -1","-P 1","2","","","","- C51 H56 Br4 N2 O11 -","- C51 H56 Br4 N2 O11 -","- C102 H112 Br8 N4 O22 -","2","1","","Puttreddy, Rakesh; Beyeh, Ngong Kodiah; Ras, Robin H.A.; Trant, John; Rissanen, Kari","Endo-/Exo- and Halogen Bonded Complexes of Conformationally Rigid Cethyl-2-bromoresorcinarene and aromatic N-oxides","CrystEngComm","2017","","","","","10.1039/C7CE00975E","","x-ray","1.54184","CuKα","","0.0334","0.0289","","","0.0705","0.0741","","","","","","1.046","","","","has coordinates","197869","2020-10-21","18:00:00",""
"7228479","37.615","0.008","7.8003","0.0016","27.83","0.006","90","","120.42","0.03","90","","7041","3","120.01","0.1","120.01","0.1","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C75 H78 Br4 N6 O17 -","- C75 H78 Br4 N6 O17 -","- C300 H312 Br16 N24 O68 -","4","0.5","","Puttreddy, Rakesh; Beyeh, Ngong Kodiah; Ras, Robin H.A.; Trant, John; Rissanen, Kari","Endo-/Exo- and Halogen Bonded Complexes of Conformationally Rigid Cethyl-2-bromoresorcinarene and aromatic N-oxides","CrystEngComm","2017","","","","","10.1039/C7CE00975E","","x-ray","0.71073","MoKα","","0.0605","0.0566","","","0.1443","0.1499","","","","","","1.053","","","","has coordinates","197869","2020-10-21","18:00:00",""
"7228480","13.7077","0.0004","13.9155","0.0004","13.9398","0.0004","90.621","0.002","116.716","0.003","96.052","0.002","2356.83","0.13","120.01","0.1","120.01","0.1","","","","","","","","5","P -1","-P 1","2","","","","- C49 H52 Br4 N2 O11 -","- C49 H52 Br4 N2 O11 -","- C98 H104 Br8 N4 O22 -","2","1","","Puttreddy, Rakesh; Beyeh, Ngong Kodiah; Ras, Robin H.A.; Trant, John; Rissanen, Kari","Endo-/Exo- and Halogen Bonded Complexes of Conformationally Rigid Cethyl-2-bromoresorcinarene and aromatic N-oxides","CrystEngComm","2017","","","","","10.1039/C7CE00975E","","x-ray","1.54184","CuKα","","0.0327","0.0294","","","0.0733","0.076","","","","","","1.028","","","","has coordinates","197869","2020-10-21","18:00:00",""
"7228481","14.85237","0.00016","7.94141","0.00008","24.9573","0.0002","90","","91.3906","0.0009","90","","2942.82","0.05","123","","123","","","","","","","","","5","P 1 2/c 1","-P 2yc","13","","","","- C56 H74 Br4 N2 O16 -","- C56 H74 Br4 N2 O16 -","- C112 H148 Br8 N4 O32 -","2","0.5","","Puttreddy, Rakesh; Beyeh, Ngong Kodiah; Ras, Robin H.A.; Trant, John; Rissanen, Kari","Endo-/Exo- and Halogen Bonded Complexes of Conformationally Rigid Cethyl-2-bromoresorcinarene and aromatic N-oxides","CrystEngComm","2017","","","","","10.1039/C7CE00975E","","x-ray","1.54184","CuKα","","0.0288","0.0269","","","0.0664","0.0679","","","","","","1.028","","","","has coordinates,has disorder","197869","2020-10-21","18:00:00",""
"7228482","15.3678","0.0008","7.9991","0.0003","22.9088","0.0011","90","","104.628","0.005","90","","2724.9","0.2","120","","120","","","","","","","","","5","P 1 2/c 1","-P 2yc","13","","","","- C50 H61 Br4 N O12 -","- C50 H61 Br4 N O12 -","- C100 H122 Br8 N2 O24 -","2","0.5","","Puttreddy, Rakesh; Beyeh, Ngong Kodiah; Ras, Robin H.A.; Trant, John; Rissanen, Kari","Endo-/Exo- and Halogen Bonded Complexes of Conformationally Rigid Cethyl-2-bromoresorcinarene and aromatic N-oxides","CrystEngComm","2017","","","","","10.1039/C7CE00975E","","x-ray","0.71073","MoKα","","0.0599","0.0467","","","0.1334","0.1434","","","","","","1.044","","","","has coordinates,has disorder","197869","2020-10-21","18:00:00",""
"7228483","31.3059","0.0019","8.0079","0.0005","23.0375","0.0017","90","","96.653","0.007","90","","5736.5","0.7","120","","120","","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C57 H68 Br4 N2 O15 -","- C57 H68 Br4 N2 O15 -","- C228 H272 Br16 N8 O60 -","4","0.5","","Puttreddy, Rakesh; Beyeh, Ngong Kodiah; Ras, Robin H.A.; Trant, John; Rissanen, Kari","Endo-/Exo- and Halogen Bonded Complexes of Conformationally Rigid Cethyl-2-bromoresorcinarene and aromatic N-oxides","CrystEngComm","2017","","","","","10.1039/C7CE00975E","","x-ray","0.71073","MoKα","","0.1101","0.0818","","","0.2002","0.2131","","","","","","1.146","","","","has coordinates","197869","2020-10-21","18:00:00",""
"7228484","25.3967","0.0006","7.7852","0.00018","27.8052","0.0008","90","","96.897","0.002","90","","5457.8","0.2","123","0.1","123","0.1","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C60 H62 Br4 N2 O12 -","- C60 H62 Br4 N2 O12 -","- C240 H248 Br16 N8 O48 -","4","0.5","","Puttreddy, Rakesh; Beyeh, Ngong Kodiah; Ras, Robin H.A.; Trant, John; Rissanen, Kari","Endo-/Exo- and Halogen Bonded Complexes of Conformationally Rigid Cethyl-2-bromoresorcinarene and aromatic N-oxides","CrystEngComm","2017","","","","","10.1039/C7CE00975E","","x-ray","1.54184","CuKα","","0.0631","0.0549","","","0.1512","0.1626","","","","","","1.125","","","","has coordinates,has disorder","197869","2020-10-21","18:00:00",""
"7228485","19.2354","0.0005","7.84234","0.00014","22.8722","0.0006","90","","114.269","0.003","90","","3145.37","0.15","123","0.1","123","0.1","","","","","","","","5","P 1 2/n 1","-P 2yac","13","","","","- C72 H69 Br4 N3 O12 -","- C72 H69 Br4 N3 O12 -","- C144 H138 Br8 N6 O24 -","2","0.5","","Puttreddy, Rakesh; Beyeh, Ngong Kodiah; Ras, Robin H.A.; Trant, John; Rissanen, Kari","Endo-/Exo- and Halogen Bonded Complexes of Conformationally Rigid Cethyl-2-bromoresorcinarene and aromatic N-oxides","CrystEngComm","2017","","","","","10.1039/C7CE00975E","","x-ray","1.54184","CuKα","","0.0539","0.0451","","","0.1081","0.1147","","","","","","1.02","","","","has coordinates,has disorder","197869","2020-10-21","18:00:00",""
"7228486","13.8438","0.0004","26.2609","0.0006","14.0294","0.0003","90","","91.72","0.002","90","","5098.1","0.2","120.01","0.1","120.01","0.1","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C54 H57 Br4 N3 O11 -","- C54 H57 Br4 N3 O11 -","- C216 H228 Br16 N12 O44 -","4","1","","Puttreddy, Rakesh; Beyeh, Ngong Kodiah; Ras, Robin H.A.; Trant, John; Rissanen, Kari","Endo-/Exo- and Halogen Bonded Complexes of Conformationally Rigid Cethyl-2-bromoresorcinarene and aromatic N-oxides","CrystEngComm","2017","","","","","10.1039/C7CE00975E","","x-ray","1.54184","CuKα","","0.0835","0.0757","","","0.2028","0.2078","","","","","","1.137","","","","has coordinates","197869","2020-10-21","18:00:00",""
"7228487","14.1188","0.0003","26.2939","0.0006","14.324","0.0003","90","","91.644","0.002","90","","5315.4","0.2","120.01","0.1","120.01","0.1","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C57 H56 Br4 N2 O11 -","- C57 H56 Br4 N2 O11 -","- C228 H224 Br16 N8 O44 -","4","1","","Puttreddy, Rakesh; Beyeh, Ngong Kodiah; Ras, Robin H.A.; Trant, John; Rissanen, Kari","Endo-/Exo- and Halogen Bonded Complexes of Conformationally Rigid Cethyl-2-bromoresorcinarene and aromatic N-oxides","CrystEngComm","2017","","","","","10.1039/C7CE00975E","","x-ray","1.54184","CuKα","","0.1002","0.0873","","","0.217","0.2249","","","","","","1.173","","","","has coordinates","197869","2020-10-21","18:00:00",""
"7228488","6.9926","0.0002","20.0065","0.0005","7.0055","0.0002","90","","109.827","0.0008","90","","921.96","0.04","303","2","303","2","","","","","","","","4","P 1 21/m 1","-P 2yb","11","","","","- H K5 O18 U5 -","- K5 O18 U5 -","- K10 O36 U10 -","2","0.5","","Felder, Justin B.; Smith, Mark D.; zur Loye, Hans-Conrad","Supercritical synthesis and topological analysis of K5U5O17(OH)","CrystEngComm","2017","","","","","10.1039/C7CE00746A","","","0.71073","MoKα","","0.024","0.0197","","","0.0424","0.0434","","","","","","1.138","","","","has coordinates","197870","2020-10-21","18:00:00",""
"7228489","3.5787","0.0003","19.2352","0.0001","9.1906","0.0008","90","","93.645","0.002","90","","631.37","0.08","100","2","100","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","nitranilic acid","","","- C3 H7 N O7 -","- C3 H7 N O7 -","- C12 H28 N4 O28 -","4","1","","Molcanov, Kresimir; Jelsch, Christian; Wenger, Emmanuel; Stare, Jernej; Madsen, Anders Østergaard; Kojic-Prodic, Biserka","Experimental evidence of 3-centre, 2-electron covalent bond character of the central O-H-O fragment on the Zundel cation in crystals of Zundel nitranilate tetrahydrate","CrystEngComm","2017","","","","","10.1039/C7CE00501F","","","0.71073","MoKα","","0.0453","0.0301","","","0.0274","0.0295","","","","","","0.907","","","","has coordinates","197871","2020-10-21","18:00:00",""
"7228490","12.427","0.0007","12.6422","0.0007","12.9901","0.0007","77.653","0.002","65.074","0.001","80.762","0.002","1802.18","0.17","223","2","223","2","","","","","","","","7","P -1","-P 1","2","","","","- C44 H84 Cd2 Cl8 N24 Na2 O28 -","- C44 H51 Cd2 Cl8 N24 Na2 O25 -","- C44 H51 Cd2 Cl8 N24 Na2 O25 -","1","0.5","","Shen, Fang-Fang; Zhao, Jiang-Lin; Chen, Kai; Xu, Jing; Wang, Yuan; Hua, Zi-Yi; Wu, Lu; Chen, Mindong; Zhang, Yun-Qian; Tao, Zhu","Coordination and supramolecular assemblies of Mono-hydroxylated octamethylcucurbit[6]uril with alkali and alkaline earth metal ions in the presence of polychloride cadmium anions","CrystEngComm","2017","","","","","10.1039/C7CE00751E","","","0.71073","MoKα","","0.0655","0.055","","","0.143","0.1506","","","","","","1.068","","","","has coordinates,has disorder","197872","2020-10-21","18:00:00",""
"7228491","15.5481","0.0009","16.8984","0.0011","19.9892","0.0014","92.9","0.002","105.986","0.002","117.084","0.001","4399.1","0.5","223","2","223","2","","","","","","","","7","P -1","-P 1","2","","","","- C44 H115 Ba2 Cd Cl7 N24 O44 -","- C44 H50 Ba2 Cd Cl7 N24 O21 -","- C88 H100 Ba4 Cd2 Cl14 N48 O42 -","2","1","","Shen, Fang-Fang; Zhao, Jiang-Lin; Chen, Kai; Xu, Jing; Wang, Yuan; Hua, Zi-Yi; Wu, Lu; Chen, Mindong; Zhang, Yun-Qian; Tao, Zhu","Coordination and supramolecular assemblies of Mono-hydroxylated octamethylcucurbit[6]uril with alkali and alkaline earth metal ions in the presence of polychloride cadmium anions","CrystEngComm","2017","","","","","10.1039/C7CE00751E","","","0.71073","MoKα","","0.1066","0.0779","","","0.212","0.2277","","","","","","1.032","","","","has coordinates","197872","2020-10-21","18:00:00",""
"7228492","12.4437","0.0006","12.8568","0.0006","13.2281","0.0008","61.266","0.001","78.409","0.002","79.303","0.001","1808.08","0.16","223","2","223","2","","","","","","","","7","P -1","-P 1","2","","","","- C44 H82 Cd2 Cl8 K2 N24 O27 -","- C44 H52 Cd2 Cl8 K2 N24 O25 -","- C44 H52 Cd2 Cl8 K2 N24 O25 -","1","0.5","","Shen, Fang-Fang; Zhao, Jiang-Lin; Chen, Kai; Xu, Jing; Wang, Yuan; Hua, Zi-Yi; Wu, Lu; Chen, Mindong; Zhang, Yun-Qian; Tao, Zhu","Coordination and supramolecular assemblies of Mono-hydroxylated octamethylcucurbit[6]uril with alkali and alkaline earth metal ions in the presence of polychloride cadmium anions","CrystEngComm","2017","","","","","10.1039/C7CE00751E","","","0.71073","MoKα","","0.0941","0.0777","","","0.2061","0.2158","","","","","","1.075","","","","has coordinates,has disorder","197872","2020-10-21","18:00:00",""
"7228493","12.4425","0.0011","12.7747","0.0011","13.1991","0.0016","61.138","0.002","79.66","0.003","80.115","0.002","1798.7","0.3","223","2","223","2","","","","","","","","7","P -1","-P 1","2","","","","- C44 H79 Cd2 Cl8 N24 O25 Rb -","- C44 H48 Cd2 Cl8 N24 O21 Rb -","- C44 H48 Cd2 Cl8 N24 O21 Rb -","1","0.5","","Shen, Fang-Fang; Zhao, Jiang-Lin; Chen, Kai; Xu, Jing; Wang, Yuan; Hua, Zi-Yi; Wu, Lu; Chen, Mindong; Zhang, Yun-Qian; Tao, Zhu","Coordination and supramolecular assemblies of Mono-hydroxylated octamethylcucurbit[6]uril with alkali and alkaline earth metal ions in the presence of polychloride cadmium anions","CrystEngComm","2017","","","","","10.1039/C7CE00751E","","","0.71073","MoKα","","0.1085","0.0797","","","0.2146","0.2325","","","","","","1.051","","","","has coordinates,has disorder","197872","2020-10-21","18:00:00",""
"7228494","15.5487","0.0016","15.7451","0.0017","20.742","0.002","94.195","0.004","111.638","0.003","110.716","0.003","4292.2","0.8","223","2","223","2","","","","","","","","7","P -1","-P 1","2","","","","- C88 H198 Cd3 Cl14 N48 O73 Sr4 -","- C88 H98 Cd3 Cl14 N48 O42 Sr4 -","- C88 H98 Cd3 Cl14 N48 O42 Sr4 -","1","0.5","","Shen, Fang-Fang; Zhao, Jiang-Lin; Chen, Kai; Xu, Jing; Wang, Yuan; Hua, Zi-Yi; Wu, Lu; Chen, Mindong; Zhang, Yun-Qian; Tao, Zhu","Coordination and supramolecular assemblies of Mono-hydroxylated octamethylcucurbit[6]uril with alkali and alkaline earth metal ions in the presence of polychloride cadmium anions","CrystEngComm","2017","","","","","10.1039/C7CE00751E","","","0.71073","MoKα","","0.1153","0.0931","","","0.2812","0.3006","","","","","","1.112","","","","has coordinates,has disorder","197872","2020-10-21","18:00:00",""
"7228495","12.8276","0.0003","15.6361","0.0004","16.4483","0.0004","90","","105.384","0.001","90","","3180.89","0.14","100","2","100","2","","","","","","","","4","P 1 21 1","P 2yb","4","cucurbit[6]uril/Gly-Phe exclusion complex","","","- C47 H50 N26 O30 -","- C47 H50 N26 O30 -","- C94 H100 N52 O60 -","2","1","","Danylyuk, Oksana","Exploring cucurbit[6]uril-peptide interactions in the solid state: crystal structure of cucurbit[6]uril complexes with glycyl-containing dipeptides","CrystEngComm","2017","","","","","10.1039/C7CE00881C","","","0.71073","MoKα","","0.0936","0.0827","","","0.2047","0.2127","","","","","","1.088","","","","has coordinates","197874","2020-10-21","18:00:00",""
"7228496","12.8204","0.0014","15.4423","0.0009","16.4045","0.0011","90","","103.346","0.004","90","","3160","0.4","100","2","100","2","","","","","","","","4","P 1 21 1","P 2yb","4","cucurbit[6]uril/Gly-Tyr exclusion complex","","","- C47 H50 N26 O29.5 -","- C47 H50 N26 O29.659 -","- C94 H100 N52 O59.318 -","2","1","","Danylyuk, Oksana","Exploring cucurbit[6]uril-peptide interactions in the solid state: crystal structure of cucurbit[6]uril complexes with glycyl-containing dipeptides","CrystEngComm","2017","","","","","10.1039/C7CE00881C","","","0.71073","MoKα","","0.1223","0.0807","","","0.1811","0.2098","","","","","","1.111","","","","has coordinates,has disorder","197874","2020-10-21","18:00:00",""
"7228497","31.3154","0.0005","31.3154","0.0005","14.3835","0.0002","90","","90","","90","","14105.2","0.4","100","2","100","2","","","","","","","","6","I 41/a","-I 4ad","88","cucurbit[6]uril/Gly-Gly exclusion complex","","","- C22 H26 Ca0.25 Cl0.5 N14 O18.38 -","- C22 H26 Ca0.25 Cl0.5 N14 O18.3868 -","- C352 H416 Ca4 Cl8 N224 O294.189 -","16","","","Danylyuk, Oksana","Exploring cucurbit[6]uril-peptide interactions in the solid state: crystal structure of cucurbit[6]uril complexes with glycyl-containing dipeptides","CrystEngComm","2017","","","","","10.1039/C7CE00881C","","","0.71073","MoKα","","0.0906","0.0769","","","0.2081","0.2234","","","","","","1.043","","","","has coordinates,has disorder","197874","2020-10-21","18:00:00",""
"7228498","12.6736","0.0002","15.6598","0.0002","16.4846","0.0003","90","","108.761","0.002","90","","3097.81","0.09","100","0.1","100","0.1","","","","","","","","4","P 1 21 1","P 2yb","4","cucurbit[6]uril/Gly-Trp exclusion complex","","","- C49 H51 N27 O27.5 -","- C49 H51 N27 O27.473 -","- C98 H102 N54 O54.946 -","2","1","","Danylyuk, Oksana","Exploring cucurbit[6]uril-peptide interactions in the solid state: crystal structure of cucurbit[6]uril complexes with glycyl-containing dipeptides","CrystEngComm","2017","","","","","10.1039/C7CE00881C","","","1.54184","CuKα","","0.0668","0.0647","","","0.1792","0.182","","","","","","1.042","","","","has coordinates,has disorder","197874","2020-10-21","18:00:00",""
"7228499","10.866","0.005","14.776","0.005","19.636","0.005","90","","97.766","0.005","90","","3124","2","100","2","100","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","Functionalized Hexavanadate","","","- C48 H98 N2 O23 V6 -","- C48 H98 N2 O22.5 V6 -","- C96 H196 N4 O45 V12 -","2","0.5","","XU, Xiao; Spasojevic - de Biré, Anne; Ghermani, Nour Eddine; Wei, Yongge; Novakovic, Sladjana B.; Bosnjakovic-Pavlovic, Nada; Wu, Pingfan","Experimental Evidence of Charge Transfer in a Functionalized Hexavanadate. A High Resolution X-ray Diffraction Study","Phys. Chem. Chem. Phys.","2017","","","","","10.1039/C7CP01840A","","","0.71073","MoKα","","0.0199","0.0199","","","0.0197","0.0197","","","","","","0.743","","","","has coordinates","197882","2020-10-21","18:00:00",""
"7228500","8.9452","0.0001","7.6683","0.0001","19.8154","0.0001","90","","91.4239","0.0007","90","","1358.81","0.02","100","","100","","","","","","","","","3","P 1 21 1","P 2yb","4","","","","- C16 H16 O6 -","- C16 H16 O6 -","- C64 H64 O24 -","4","2","","Li, Wei; Zhang, Jun-Sheng; Huang, Jia-Luo; Jiang, Min-Hong; Xu, You-Kai; Ahmed, Abrar; Yin, Sheng; Tang, Gui-Hua","New prenylated coumarins from the stems of Toddalia asiatica","RSC Adv.","2017","7","49","31061","","10.1039/C7RA04794K","","x-ray","1.54184","CuKα","","0.0378","0.0366","","","0.0966","0.0979","","","","","","1.0627","","","","has coordinates","278046","2022-09-21","15:45:42",""
"7228501","19.606","0.009","11.969","0.005","8.053","0.004","90","","90","","90","","1889.8","1.5","150","2","150","2","","","","","","","","5","P n a 21","P 2c -2n","33","","","","- C21 H23 N O6 S -","- C21 H23 N O6 S -","- C84 H92 N4 O24 S4 -","4","1","","Pessêgo, Márcia; Basílio, Nuno; Mendoza, Johan; Avó, João; Cunha-Silva, Luís; Parola, A. Jorge; Pina, Fernando","Exploring the diethylaminoflavylium derivatives multistate system of chemical reactions in the presence of CTAB micelles: thermodynamic reversibility achieved through different kinetic pathways","RSC Adv.","2017","7","48","30469","","10.1039/C7RA04514J","","","0.71073","MoKα","","0.145","0.0644","","","0.0995","0.1196","","","","","","0.999","","","","has coordinates","197884","2020-10-21","18:00:00",""
"7228502","17.6076","0.0016","17.9505","0.0012","14.4826","0.0013","90","","125.893","0.003","90","","3708.2","0.6","150","2","150","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C21 H22 B F4 N O -","- C21 H22 B F4 N O -","- C168 H176 B8 F32 N8 O8 -","8","1","","Pessêgo, Márcia; Basílio, Nuno; Mendoza, Johan; Avó, João; Cunha-Silva, Luís; Parola, A. Jorge; Pina, Fernando","Exploring the diethylaminoflavylium derivatives multistate system of chemical reactions in the presence of CTAB micelles: thermodynamic reversibility achieved through different kinetic pathways","RSC Adv.","2017","7","48","30469","","10.1039/C7RA04514J","","","0.71073","MoKα","","0.0831","0.0495","","","0.1112","0.1277","","","","","","1.032","","","","has coordinates","197884","2020-10-21","18:00:00",""
"7228503","11.3956","0.0007","14.0481","0.0009","13.028","0.0008","90","","114.24","0.003","90","","1901.7","0.2","150","2","150","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C21 H23 N O6 S -","- C21 H23 N O6 S -","- C84 H92 N4 O24 S4 -","4","1","","Pessêgo, Márcia; Basílio, Nuno; Mendoza, Johan; Avó, João; Cunha-Silva, Luís; Parola, A. Jorge; Pina, Fernando","Exploring the diethylaminoflavylium derivatives multistate system of chemical reactions in the presence of CTAB micelles: thermodynamic reversibility achieved through different kinetic pathways","RSC Adv.","2017","7","48","30469","","10.1039/C7RA04514J","","","0.71073","MoKα","","0.0422","0.0334","","","0.087","0.0931","","","","","","1.066","","","","has coordinates","197884","2020-10-21","18:00:00",""
"7228506","13.297","0.002","6.6748","0.0011","19.359","0.003","90","","90","","90","","1718.2","0.5","100","2","100.01","","","","","","","","","6","P n m a","-P 2ac 2n","62","","","","- C14 H11 Cs N2 O7 S2 -","- C14 H11 Cs N2 O7 S2 -","- C56 H44 Cs4 N8 O28 S8 -","4","0.5","","Karothu, Durga Prasad; Jahovic, Ilma; Jovanovski , Gligor; Kaitner, Branko; Naumov, Pance","Ionic Cocrystals of Molecular Saccharin","CrystEngComm","2017","","","","","10.1039/C7CE00627F","","","0.71073","MoKα","","0.0564","0.0559","","","0.1261","0.1262","","","","","","1.366","","","","has coordinates","197898","2020-10-21","18:00:00",""
"7228507","13.113","0.016","6.541","0.008","19.17","0.02","90","","90","","90","","1644","3","100","2","100","2","","","","","","","","6","P n m a","-P 2ac 2n","62","","","","- C14 H11 N2 O7 Rb S2 -","- C14 H11 N2 O7 Rb S2 -","- C56 H44 N8 O28 Rb4 S8 -","4","0.5","","Karothu, Durga Prasad; Jahovic, Ilma; Jovanovski , Gligor; Kaitner, Branko; Naumov, Pance","Ionic Cocrystals of Molecular Saccharin","CrystEngComm","2017","","","","","10.1039/C7CE00627F","","","0.71073","MoKα","","0.0668","0.0546","","","0.127","0.1299","","","","","","1.344","","","","has coordinates","197898","2020-10-21","18:00:00",""
"7228508","25.137","0.002","9.5401","0.0009","14.6473","0.0013","90","","94.042","0.002","90","","3503.8","0.5","100","2","100","","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C14 H9 N2 O6.5 Rb2 S2 -","- C14 H9 N2 O6.5 Rb2 S2 -","- C112 H72 N16 O52 Rb16 S16 -","8","1","","Karothu, Durga Prasad; Jahovic, Ilma; Jovanovski , Gligor; Kaitner, Branko; Naumov, Pance","Ionic Cocrystals of Molecular Saccharin","CrystEngComm","2017","","","","","10.1039/C7CE00627F","","","0.71073","MoKα","","0.041","0.0356","","","0.079","0.0814","","","","","","1","","","","has coordinates","197898","2020-10-21","18:00:00",""
"7228509","25.0793","0.0014","9.734","0.0005","15.1308","0.0008","90","","93.576","0.002","90","","3686.6","0.3","100","2","100","","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C14 H9 Cs2 N2 O6.5 S2 -","- C14 H9 Cs2 N2 O6.5 S2 -","- C112 H72 Cs16 N16 O52 S16 -","8","1","","Karothu, Durga Prasad; Jahovic, Ilma; Jovanovski , Gligor; Kaitner, Branko; Naumov, Pance","Ionic Cocrystals of Molecular Saccharin","CrystEngComm","2017","","","","","10.1039/C7CE00627F","","","0.71073","MoKα","","0.0332","0.0275","","","0.0769","0.0801","","","","","","1.003","","","","has coordinates","197898","2020-10-21","18:00:00",""
"7228510","10.4621","0.0005","11.6521","0.0005","12.3464","0.0005","87.205","0.004","89.13","0.004","88.881","0.004","1502.86","0.11","172.95","0.1","172.95","0.1","","","","","","","","7","P -1","-P 1","2","","","","- C25 H24 Ca Cl2 Mn N3 O9.95 -","- C25 H24 Ca Cl2 Mn N3 O9.95 -","- C50 H48 Ca2 Cl4 Mn2 N6 O19.9 -","2","1","","Benniston, A. C.; Melnic, Silvia; Waddell, Paul G.; Sova, Sergiu","Evolution of Manganese-Calcium Cluster Structures based on Nitrogen and Oxygen Donor Ligands","CrystEngComm","2017","","","","","10.1039/C7CE00931C","","x-ray","0.71073","MoKα","","0.0713","0.0584","","","0.1462","0.1556","","","","","","1.037","","","","has coordinates,has disorder","197899","2020-10-21","18:00:00",""
"7228511","24.66","0.002","11.8933","0.001","20.3808","0.0014","90","","107.529","0.007","90","","5699.9","0.8","173","0.14","173","0.14","","","","","","","","7","C 1 2/c 1","-C 2yc","15","","","","- C46 H54 Ca2 Cl4 Mn2 N8 O20 -","- C46 H54 Ca2 Cl4 Mn2 N8 O20 -","- C184 H216 Ca8 Cl16 Mn8 N32 O80 -","4","0.5","","Benniston, A. C.; Melnic, Silvia; Waddell, Paul G.; Sova, Sergiu","Evolution of Manganese-Calcium Cluster Structures based on Nitrogen and Oxygen Donor Ligands","CrystEngComm","2017","","","","","10.1039/C7CE00931C","","x-ray","0.71073","MoKα","","0.1294","0.0826","","","0.1918","0.2199","","","","","","1.036","","","","has coordinates,has disorder","197899","2020-10-21","18:00:00",""
"7228512","10.5975","0.0006","11.4166","0.0007","11.7527","0.0006","61.595","0.006","79.18","0.005","68.553","0.005","1163.97","0.14","150","0.2","150","0.2","","","","","","","","7","P -1","-P 1","2","","","","- C39 H42 Ca2 Cl0.8 Mn2 N9.2 O19.8 -","- C39 H42 Ca2 Cl0.8036 Mn2 N9.1964 O19.8036 -","- C39 H42 Ca2 Cl0.8036 Mn2 N9.1964 O19.8036 -","1","0.5","","Benniston, A. C.; Melnic, Silvia; Waddell, Paul G.; Sova, Sergiu","Evolution of Manganese-Calcium Cluster Structures based on Nitrogen and Oxygen Donor Ligands","CrystEngComm","2017","","","","","10.1039/C7CE00931C","","","1.54184","CuKα","","0.0549","0.0459","","","0.1149","0.1221","","","","","","1.044","","","","has coordinates,has disorder","197899","2020-10-21","18:00:00",""
"7228513","25.8236","0.0003","14.88011","0.0002","27.1462","0.0004","90","","107.259","0.0014","90","","9961.5","0.2","150","0.2","150","0.2","","","","","","","","7","C 1 2/c 1","-C 2yc","15","","","","- C156 H182 Ca4 Cl8 Mn12 N12 O99 -","- C156 H182 Ca4 Cl8 Mn12 N12 O99 -","- C312 H364 Ca8 Cl16 Mn24 N24 O198 -","2","0.25","","Benniston, A. C.; Melnic, Silvia; Waddell, Paul G.; Sova, Sergiu","Evolution of Manganese-Calcium Cluster Structures based on Nitrogen and Oxygen Donor Ligands","CrystEngComm","2017","","","","","10.1039/C7CE00931C","","","1.54184","CuKα","","0.0555","0.0384","","","0.0882","0.0991","","","","","","1.053","","","","has coordinates,has disorder","197899","2020-10-21","18:00:00",""
"7228514","9.4886","0.0007","13.8218","0.001","13.2987","0.001","90","","100.092","0.004","90","","1717.1","0.2","296","2","296.15","","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C6 H14 Be3 N4 O12 P4 -","- C6 H14 Be3 N4 O12 P4 -","- C24 H56 Be12 N16 O48 P16 -","4","0.5","","Zhang, Qinghua; Wang, Kangcai; Jin, Yunhe; Jiang, Linhai; Wang, Zhi","Construction of Hydrothermally Stable Beryllium Phosphite Open-Frameworks with High Proton Conductivity","CrystEngComm","2017","","","","","10.1039/C7CE00948H","","","0.71073","MoKα","","0.0465","0.0405","","","0.0961","0.0993","","","","","","1.053","","","","has coordinates","197900","2020-10-21","18:00:00",""
"7228515","8.3233","0.0005","8.4561","0.0006","13.3101","0.0008","96.149","0.003","95.184","0.003","111.344","0.003","859.02","0.1","296.15","","296.15","","","","","","","","","6","P -1","-P 1","2","","","","- C6 H14 Be3 N4 O12 P4 -","- C6 H14 Be3 N4 O12 P4 -","- C12 H28 Be6 N8 O24 P8 -","2","1","","Zhang, Qinghua; Wang, Kangcai; Jin, Yunhe; Jiang, Linhai; Wang, Zhi","Construction of Hydrothermally Stable Beryllium Phosphite Open-Frameworks with High Proton Conductivity","CrystEngComm","2017","","","","","10.1039/C7CE00948H","","","0.71073","MoKα","","0.0599","0.0583","","","0.14","0.1412","","","","","","1.119","","","","has coordinates","197900","2020-10-21","18:00:00",""
"7228516","6.2804","0.0003","17.271","0.0006","10.3842","0.0004","90","","101.759","0.004","90","","1102.72","0.08","293","2","293","2","","","","","","","","3","P 1 21 1","P 2yb","4","","","","- C25 H28 O7 -","- C25 H28 O7 -","- C50 H56 O14 -","2","1","","Wu, Xia; Fang, Li-Zhen; Liu, Feng-Lou; Pang, Xue-Jiao; Qin, Hai-Li; Zhao, Ting; Xu, Lu-Lin; Yang, Deng-Feng; Yang, Xiao-Long","New prenylxanthones, polyketide hemiterpenoid pigments from the endophytic fungus Emericella sp. XL029 and their anti-agricultural pathogenic fungal and antibacterial activities","RSC Adv.","2017","7","49","31115","","10.1039/C7RA04762B","","","0.71073","MoKα","","0.0631","0.0478","","","0.1072","0.1177","","","","","","1.057","","","","has coordinates","197914","2020-10-21","18:00:00",""
"7228517","9.567","0.005","17.241","0.009","9.945","0.005","90","","110.813","0.008","90","","1533.3","1.4","296","2","296","2","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","","","- C21 H14 O -","- C21 H14 O -","- C84 H56 O4 -","4","1","","Zhang, Shuai; Bai, Xue-Ting; Chen, Dan-Yun; Chen, Pei; Zhang, Qian-Qian; Wang, Yan-Bo","Water-assisted metal-free catalyzed cyclization of 2-alkynylarylketones: a facile approach to indenones","RSC Adv.","2017","7","49","31142","","10.1039/C7RA05487D","","","0.71073","MoKα","","0.0712","0.041","","","0.0949","0.1089","","","","","","1.026","","","","has coordinates","198633","2020-10-21","18:00:00",""
"7228518","18.455","0.004","14.363","0.003","15.938","0.003","90","","113.45","0.03","90","","3875.7","1.6","153","2","153","2","","","","","","","","3","C 1 2/c 1","-C 2yc","15","","9,9'-(ethyne-1,2-diyl)-bis(fluoren-9-ol)","","- C28 H18 O2 -","- C28 H18 O2 -","- C224 H144 O16 -","8","1","","Sykes, Nicole Margaret; Su, Hong; Weber, Edwin; Bourne, Susan A.; Nassimbeni, Luigi","Selectivity of Aliphatic Alcohols by Host-Guest Chemistry","CrystEngComm","2017","","","","","10.1039/C7CE00736A","","","0.71073","MoKα","","0.0446","0.0387","","","0.0982","0.1033","","","","","","1.04","","","","has coordinates","197955","2020-10-21","18:00:00",""
"7228519","8.513","0.0017","9.548","0.0019","12.017","0.002","101.52","0.03","103.71","0.03","114.49","0.03","813","0.5","153","2","153","2","","","","","","","","3","P -1","-P 1","2","","9,9'-(ethyne-1,2-diyl)-bis(fluoren-9-ol) bis (2-pentanol) Clathrate","","- C38 H42 O4 -","- C38 H42 O4 -","- C38 H42 O4 -","1","0.5","","Sykes, Nicole Margaret; Su, Hong; Weber, Edwin; Bourne, Susan A.; Nassimbeni, Luigi","Selectivity of Aliphatic Alcohols by Host-Guest Chemistry","CrystEngComm","2017","","","","","10.1039/C7CE00736A","","","0.71073","MoKα","","0.0549","0.0455","","","0.1139","0.1209","","","","","","1.032","","","","has coordinates,has disorder","197955","2020-10-21","18:00:00",""
"7228520","9.6915","0.0019","15.38","0.003","16.438","0.003","91.21","0.03","98.29","0.03","91.87","0.03","2422.5","0.8","153","2","153","2","","","","","","","","3","P -1","-P 1","2","","9,9'-(ethyne-1,2-diyl)-bis(fluoren-9-ol) bis (3-pentanol) Clathrate","","- C114 H125 O12 -","- C114 H125 O12 -","- C114 H125 O12 -","1","0.5","","Sykes, Nicole Margaret; Su, Hong; Weber, Edwin; Bourne, Susan A.; Nassimbeni, Luigi","Selectivity of Aliphatic Alcohols by Host-Guest Chemistry","CrystEngComm","2017","","","","","10.1039/C7CE00736A","","","0.71073","MoKα","","0.0694","0.0455","","","0.107","0.1201","","","","","","1.027","","","","has coordinates,has disorder","197955","2020-10-21","18:00:00",""
"7228521","8.8074","0.0018","13.145","0.003","14.259","0.003","75.84","0.03","73.56","0.03","78.7","0.03","1520.9","0.6","153","2","153","2","","","","","","","","3","P -1","-P 1","2","","9,9'-(ethyne-1,2-diyl)-bis(fluoren-9-ol) bis (1-butanol) Clathrate","","- C36 H38 O4 -","- C36 H38 O4 -","- C72 H76 O8 -","2","1","","Sykes, Nicole Margaret; Su, Hong; Weber, Edwin; Bourne, Susan A.; Nassimbeni, Luigi","Selectivity of Aliphatic Alcohols by Host-Guest Chemistry","CrystEngComm","2017","","","","","10.1039/C7CE00736A","","","0.71073","MoKα","","0.0662","0.0457","","","0.1026","0.1137","","","","","","1.022","","","","has coordinates,has disorder","197955","2020-10-21","18:00:00",""
"7228522","9.7243","0.0019","10.424","0.002","14.814","0.003","94.05","0.03","102.03","0.03","93.31","0.03","1460.9","0.5","153","2","153","2","","","","","","","","3","P -1","-P 1","2","","9,9'-(ethyne-1,2-diyl)-bis(fluoren-9-ol)","","- C28 H18 O2 -","- C28 H18 O2 -","- C84 H54 O6 -","3","1.5","","Sykes, Nicole Margaret; Su, Hong; Weber, Edwin; Bourne, Susan A.; Nassimbeni, Luigi","Selectivity of Aliphatic Alcohols by Host-Guest Chemistry","CrystEngComm","2017","","","","","10.1039/C7CE00736A","","","0.71073","MoKα","","0.0516","0.0418","","","0.1","0.1068","","","","","","1.025","","","","has coordinates","197955","2020-10-21","18:00:00",""
"7228523","9.869","0.002","13.153","0.003","14.186","0.003","63.18","0.03","86.27","0.03","83.31","0.03","1632","0.7","133","2","133","2","","","","","","","","3","P -1","-P 1","2","","9,9'-(ethyne-1,2-diyl)-bis(fluoren-9-ol) bis (3-methyl2-butanol) Clathrate","","- C38 H42 O4 -","- C38.005 H42.011 O4.001 -","- C76.01 H84.022 O8.002 -","2","1","","Sykes, Nicole Margaret; Su, Hong; Weber, Edwin; Bourne, Susan A.; Nassimbeni, Luigi","Selectivity of Aliphatic Alcohols by Host-Guest Chemistry","CrystEngComm","2017","","","","","10.1039/C7CE00736A","","","0.71073","MoKα","","0.06","0.0488","","","0.1243","0.1332","","","","","","1.03","","","","has coordinates,has disorder","197955","2020-10-21","18:00:00",""
"7228524","4.3125","0.0003","4.3125","0.0003","4.9711","0.0004","90","","90","","120","","80.065","0.01","99.99","0.14","100","1","","","","","","","","1","P 31 2 1","P 31 2""","152","Grey selenium","Selenium","","- Se -","- Se -","- Se3 -","3","0.5","","Boeré, René; Hill, Nathan D. D.","High Z’ structures of 1,2,3,5-dithiadiazolyls and of 1,2,3,5-diselenadiazolyls containing the first structurally characterized monomeric diselenadiazolyls","CrystEngComm","2017","","","","","10.1039/C7CE00863E","","x-ray","1.54184","CuKα","","0.0409","0.0409","","","0.109","0.109","","","","","","1.381","","","","has coordinates","198021","2020-10-21","18:00:00",""
"7228525","7.12511","0.00016","16.8803","0.0004","24.7194","0.0005","108.455","0.002","91.6884","0.0017","98.597","0.002","2779.15","0.11","100","0.11","100","0.11","","","","","","","No.","5","P -1","-P 1","2","","4-[3-(trifluoromethyl)phenyl]-3H-1,2,3,5-Dithiadiazol-3-yl","","- C8 H4 F3 N2 S2 -","- C8 H4 F3 N2 S2 -","- C96 H48 F36 N24 S24 -","12","6","","Boeré, René; Hill, Nathan D. D.","High Z’ structures of 1,2,3,5-dithiadiazolyls and of 1,2,3,5-diselenadiazolyls containing the first structurally characterized monomeric diselenadiazolyls","CrystEngComm","2017","","","","","10.1039/C7CE00863E","","x-ray","1.54184","CuKα","","0.0744","0.065","","","0.1609","0.1678","","","","","","1.059","","","","has coordinates","198021","2020-10-21","18:00:00",""
"7228526","9.379","0.003","10.667","0.004","20.458","0.007","80.562","0.004","84.783","0.004","81.218","0.004","1990.8","1.2","173","2","173","2","","","101","","","","","4","P -1","-P 1","2","","4-(3-cyano-5-tertbutyl-phenyl)-3H-1,2,3,5-diselenadiazol-3-yl","","- C12 H12 N3 Se2 -","- C12 H12 N3 Se2 -","- C72 H72 N18 Se12 -","6","3","","Boeré, René; Hill, Nathan D. D.","High Z’ structures of 1,2,3,5-dithiadiazolyls and of 1,2,3,5-diselenadiazolyls containing the first structurally characterized monomeric diselenadiazolyls","CrystEngComm","2017","","","","","10.1039/C7CE00863E","","x-ray","0.71073","MoKα","","0.1016","0.0532","","","0.1022","0.117","","","","","","0.918","","","","has coordinates,has disorder","198021","2020-10-21","18:00:00",""
"7228527","21.1972","0.0016","10.6954","0.0008","28.994","0.002","90","","93.661","0.001","90","","6559.9","0.8","173","2","173","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","4-(3-cyano-5-tertbutyl-phenyl)-3H-1,2,3,5-diselenadiazol-3-yl","","- C12 H12 N3 Se2 -","- C12 H12 N3 Se2 -","- C240 H240 N60 Se40 -","20","5","","Boeré, René; Hill, Nathan D. D.","High Z’ structures of 1,2,3,5-dithiadiazolyls and of 1,2,3,5-diselenadiazolyls containing the first structurally characterized monomeric diselenadiazolyls","CrystEngComm","2017","","","","","10.1039/C7CE00863E","","x-ray","0.71073","MoKα","","0.0676","0.0379","","","0.074","0.0817","","","","","","1.036","","","","has coordinates,has disorder","198021","2020-10-21","18:00:00",""
"7228528","12.3686","0.0008","15.9846","0.0011","9.9812","0.0007","90","","113.591","0.001","90","","1808.4","0.2","100","2","100","2","","","","","","","","5","P 1 c 1","P -2yc","7","","","","- C20 H24 F N2 O4.5 -","- C20 H24 F N2 O4.5 -","- C80 H96 F4 N8 O18 -","4","2","","Ma, Yulu; Wang, Kai-Min; Huang, Rong; Lin, Jun; Yan, Sheng-Jiao","An environmentally benign double Michael addition reaction of heterocyclic ketene aminals with quinone monoketals for diastereoselective synthesis of highly functionly morphan derivatives in water","Green Chem.","2017","","","","","10.1039/C7GC01435J","","","0.71073","MoKα","","0.0385","0.0345","","","0.0888","0.0938","","","","","","1.041","","","","has coordinates","203412","2020-10-21","18:00:00",""
"7228529","23.064","0.002","9.1067","0.0009","19.757","0.002","90","","102.558","0.002","90","","4050.4","0.7","100","2","100","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C21 H28 Cl N2 O5.5 -","- C21 H28 Cl N2 O5.5 -","- C168 H224 Cl8 N16 O44 -","8","1","","Ma, Yulu; Wang, Kai-Min; Huang, Rong; Lin, Jun; Yan, Sheng-Jiao","An environmentally benign double Michael addition reaction of heterocyclic ketene aminals with quinone monoketals for diastereoselective synthesis of highly functionly morphan derivatives in water","Green Chem.","2017","","","","","10.1039/C7GC01435J","","","0.71073","MoKα","","0.0573","0.0528","","","0.1552","0.1596","","","","","","1.08","","","","has coordinates","206958","2020-10-21","18:00:00",""
"7228530","14.6978","0.0015","12.2595","0.0012","21.83","0.002","90","","108.609","0.001","90","","3727.8","0.6","298","2","298","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C21 H26 N2 O4 -","- C21 H26 N2 O4 -","- C168 H208 N16 O32 -","8","1","","Ma, Yulu; Wang, Kai-Min; Huang, Rong; Lin, Jun; Yan, Sheng-Jiao","An environmentally benign double Michael addition reaction of heterocyclic ketene aminals with quinone monoketals for diastereoselective synthesis of highly functionly morphan derivatives in water","Green Chem.","2017","","","","","10.1039/C7GC01435J","","","0.71073","MoKα","","0.0629","0.0426","","","0.1296","0.1494","","","","","","0.981","","","","has coordinates","206958","2020-10-21","18:00:00",""
"7228531","27.391","0.002","32.349","0.003","14.733","0.0013","90","0.005","90","0.005","90","0.005","13054.5","1.9","293","2","293","2","","","","","","","","7","P b c n","-P 2n 2ab","60","","","","- C88 H136 Mo12 N3 O50 P Zn4 -","- C88 H132 Mo12 N3 O50 P Zn4 -","- C352 H528 Mo48 N12 O200 P4 Zn16 -","4","0.5","","Nie, Zhong-Bin; Zhang, Min; Su, Tan; Zhao, Liang; Wang, Yuan-Yuan; Sun, Guang-Yan; Su, Zhong-Min","Electrochemical and diffuse reflectance study on tetrahedral ε-Keggin-based metal‒organic frameworks","RSC Adv.","2017","7","50","31544","","10.1039/C7RA04771A","","","0.71069","MoKα","","0.1317","0.0714","","","0.1993","0.2534","","","","","","1.069","","","","has coordinates","198027","2020-10-21","18:00:00",""
"7228532","31.417","0.003","19.788","0.002","24.05","0.002","90","","100.334","0.003","90","","14709","2","298","2","298","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C46 H32 Mo12 N12 O48 P Zn4 -","- C46 H32 Mo12 N12 O48 P Zn4 -","- C184 H128 Mo48 N48 O192 P4 Zn16 -","4","1","","Nie, Zhong-Bin; Zhang, Min; Su, Tan; Zhao, Liang; Wang, Yuan-Yuan; Sun, Guang-Yan; Su, Zhong-Min","Electrochemical and diffuse reflectance study on tetrahedral ε-Keggin-based metal‒organic frameworks","RSC Adv.","2017","7","50","31544","","10.1039/C7RA04771A","","","0.71073","MoKα","","0.1147","0.0982","","","0.2308","0.2404","","","","","","1.037","","","","has coordinates","198027","2020-10-21","18:00:00",""
"7228533","10.8949","0.0011","15.8728","0.0015","33.006","0.004","90","","90","","90","","5707.8","1","173","","173","","","","","","","","","7","P b c a","-P 2ac 2ab","61","","","","- C28 H20 F6 Ir N4 P S2 -","- C28 H20 F6 Ir N4 P S2 -","- C224 H160 F48 Ir8 N32 P8 S16 -","8","1","","Pal, Amlan K.; Cordes, David B.; Slawin, Alexandra M. Z.; Momblona, Cristina; Pertegás, Antonio; Ortí, Enrique; Bolink, Henk J.; Zysman-Colman, Eli","Simple design to achieve red-to-near-infrared emissive cationic Ir(iii) emitters and their use in light emitting electrochemical cells","RSC Adv.","2017","7","51","31833","","10.1039/C7RA06347D","","","0.71075","MoKα","","0.0743","0.0336","","","0.0571","0.0725","","","","","","1.097","","","","has coordinates","198069","2020-10-21","18:00:00",""
"7228534","24.377","0.003","9.1545","0.001","15.859","0.002","90","","90","","90","","3539.1","0.7","93","","93","","","","","","","","","7","P c a 21","P 2c -2ac","29","","","","- C38 H27 F6 Ir N5 P S2 -","- C38 H27 F6 Ir N5 P S2 -","- C152 H108 F24 Ir4 N20 P4 S8 -","4","1","","Pal, Amlan K.; Cordes, David B.; Slawin, Alexandra M. Z.; Momblona, Cristina; Pertegás, Antonio; Ortí, Enrique; Bolink, Henk J.; Zysman-Colman, Eli","Simple design to achieve red-to-near-infrared emissive cationic Ir(iii) emitters and their use in light emitting electrochemical cells","RSC Adv.","2017","7","51","31833","","10.1039/C7RA06347D","","","0.71075","MoKα","","0.02","0.0185","","","0.036","0.0362","","","","","","0.841","","","","has coordinates","198069","2020-10-21","18:00:00",""
"7228535","7.268","0.006","9.35","0.007","13.757","0.011","90","","92.71","0.011","90","","933.8","1.3","200","2","200","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C26 H12 O6 -","- C26 H12 O6 -","- C52 H24 O12 -","2","0.5","","Kato, Ken; Hagi, Shogo; Hinoshita, Masumi; Shikoh, Eiji; Teki, Yoshio","Photoconductivity and magnetoconductance effects on vacuum vapor deposition films of weak charge-transfer complexes","Phys. Chem. Chem. Phys.","2017","","","","","10.1039/C7CP02781H","","","0.710747","MoKα","","0.0566","0.0491","","","0.1114","0.1164","","","","","","1.119","","","","has coordinates","198113","2020-10-21","18:00:00",""
"7228536","12.019","0.006","20.022","0.009","8.703","0.004","90","","99.99","0.005","90","","2062.6","1.7","200","2","200","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C28 H18 N2 O4 -","- C28 H18 N2 O4 -","- C112 H72 N8 O16 -","4","0.5","","Kato, Ken; Hagi, Shogo; Hinoshita, Masumi; Shikoh, Eiji; Teki, Yoshio","Photoconductivity and magnetoconductance effects on vacuum vapor deposition films of weak charge-transfer complexes","Phys. Chem. Chem. Phys.","2017","","","","","10.1039/C7CP02781H","","","0.710747","MoKα","","0.0532","0.0405","","","0.107","0.1147","","","","","","1.099","","","","has coordinates","198113","2020-10-21","18:00:00",""
"7228537","13.6727","0.0012","17.6172","0.0015","14.8361","0.0013","90","","116.334","0.001","90","","3202.8","0.5","150","2","150","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C37 H33 N5 O6 -","- C37 H33 N5 O6 -","- C148 H132 N20 O24 -","4","1","","Drozd, Ksenia V.; Manin, Alex N.; Churakov, Andrei; Perlovich, German L.","A Novel Drug-Drug Cocrystal of Carbamazepine with para-Aminosalicylic Acid: Screening, Crystal Structure and Comparative Study of Carbamazepine Cocrystals Formation Thermodynamics","CrystEngComm","2017","","","","","10.1039/C7CE00831G","","","0.71073","MoKα","","0.0486","0.0382","","","0.0955","0.1026","","","","","","1.026","","","","has coordinates","198127","2020-10-21","18:00:00",""
"7228538","27.427","0.005","7.6402","0.0015","21.038","0.004","90","","119.263","0.002","90","","3845.9","1.3","150","2","150","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C22 H19 N3 O4 -","- C22 H19 N3 O4 -","- C176 H152 N24 O32 -","8","1","","Drozd, Ksenia V.; Manin, Alex N.; Churakov, Andrei; Perlovich, German L.","A Novel Drug-Drug Cocrystal of Carbamazepine with para-Aminosalicylic Acid: Screening, Crystal Structure and Comparative Study of Carbamazepine Cocrystals Formation Thermodynamics","CrystEngComm","2017","","","","","10.1039/C7CE00831G","","","0.71073","MoKα","","0.0435","0.0385","","","0.1018","0.1058","","","","","","1.054","","","","has coordinates","198127","2020-10-21","18:00:00",""
"7228539","12.6443","0.0018","7.5232","0.0011","34.674","0.005","90","","96.811","0.003","90","","3275.1","0.8","183","2","183","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C38 H35 N5 O6 -","- C38 H35 N5 O6 -","- C152 H140 N20 O24 -","4","1","","Drozd, Ksenia V.; Manin, Alex N.; Churakov, Andrei; Perlovich, German L.","A Novel Drug-Drug Cocrystal of Carbamazepine with para-Aminosalicylic Acid: Screening, Crystal Structure and Comparative Study of Carbamazepine Cocrystals Formation Thermodynamics","CrystEngComm","2017","","","","","10.1039/C7CE00831G","","","0.71073","MoKα","","0.052","0.0377","","","0.0839","0.0915","","","","","","1.012","","","","has coordinates","198127","2020-10-21","18:00:00",""
"7228540","22.6559","0.0016","6.7274","0.0005","17.4505","0.0012","90","","97.218","0.0007","90","","2638.6","0.3","296","2","296","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","Uranium(IV) hexachloride","[PPh4][UCl6]","","- C24 H20 Cl6 P U -","- C24 H20 Cl6 P U -","- C96 H80 Cl24 P4 U4 -","4","0.5","","Gendron, Frédéric; Fleischauer, Valerie E.; Duignan, Thomas J.; Scott, Brian L.; Löble, Matthias W.; Cary, Samantha K.; Kozimor, Stosh A.; Bolvin, Hélène; Neidig, Michael L.; Autschbach, Jochen","Magnetic circular dichroism of UCl6− in the ligand-to-metal charge-transfer spectral region","Phys. Chem. Chem. Phys.","2017","","","","","10.1039/C7CP02572F","","","0.71073","MoKα","","0.0148","0.0123","","","0.028","0.0288","","","","","","1.058","","","","has coordinates","198133","2020-10-21","18:00:00",""
"7228541","8.337","0.009","26.49","0.03","12.243","0.014","90","","101.24","0.014","90","","2652","5","296","2","296","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C30 H32 N2 O4 S -","- C30 H32 N2 O4 S -","- C120 H128 N8 O16 S4 -","4","1","","Jiang, Hui; Tian, Yaming; Tian, Lumin; Li, Jian","A multicomponent bicyclization reaction of isocyanide, allenoate, imine and water to synthesize pyrrolidine-fused rings","RSC Adv.","2017","7","51","32300","","10.1039/C7RA05701F","","","0.71073","MoKα","","0.1318","0.0779","","","0.198","0.2284","","","","","","1.037","","","","has coordinates","198134","2020-10-21","18:00:00",""
"7228543","27.973","0.001","27.973","0.001","27.973","0.001","90","","90","","90","","21888.6","1.4","293","2","293","2","","","","","","","","6","I 4 3 2","I 4 2 3","211","","","","- C68 H79.5 Cd3 K6 N16 O39.75 -","- C54 H24 Cd3 K6 N12 O33.75 -","- C432 H192 Cd24 K48 N96 O270 -","8","0.166667","","Xu, Xiao-Wu; Tian, Chong-Bin; Du, Shaowu","Synthesis, structure and luminescent properties of two Cd(II)/M(I) (M = K, Rb) interpenetrated heterometallic frameworks based on giant double-walled cages","CrystEngComm","2017","","","","","10.1039/C7CE00803A","","","0.71073","MoKα","","0.0426","0.0415","","","0.1083","0.1094","","","","","","1.031","","","","has coordinates","198149","2020-10-21","18:00:00",""
"7228544","28.0152","0.0016","28.0152","0.0016","28.0152","0.0016","90","","90","","90","","21988","2","293","2","293","2","","","","","","","","6","I 4 3 2","I 4 2 3","211","","","","- C68 H79.5 Cd3 N16 O39.75 Rb6 -","- C54 H24 Cd3 N12 O33.75 Rb6 -","- C432 H192 Cd24 N96 O270 Rb48 -","8","0.166667","","Xu, Xiao-Wu; Tian, Chong-Bin; Du, Shaowu","Synthesis, structure and luminescent properties of two Cd(II)/M(I) (M = K, Rb) interpenetrated heterometallic frameworks based on giant double-walled cages","CrystEngComm","2017","","","","","10.1039/C7CE00803A","","","0.71073","MoKα","","0.0592","0.0567","","","0.1596","0.1621","","","","","","1.033","","","","has coordinates","198149","2020-10-21","18:00:00",""
"7228545","10.1876","0.0005","10.6755","0.0005","17.318","0.0008","84.568","0.001","87.893","0.001","79.892","0.001","1845.52","0.15","296","2","296","2","","","","","","","","6","P -1","-P 1","2","","","","- C78 H74 Cl0 Co3 N12 O26 -","- C78 H72 Co3 N12 O26 -","- C78 H72 Co3 N12 O26 -","1","0.5","","Xiong, Ying; Liu, Guo Cheng; Wang, Xiuli; Zhang, Juwen; Lin, Hongyan; Sha, Xiao Ting","Polycarboxylates-directed pyridyl-amide-based CoII complexes: fluorescent recognition of Fe3+ and Fe3±functionalized composite materials for enhancing photocatalytic activities","CrystEngComm","2017","","","","","10.1039/C7CE00800G","","","0.71073","MoKα","","0.0541","0.0396","","","0.1091","0.1221","","","","","","0.999","","","","has coordinates","198150","2020-10-21","18:00:00",""
"7228546","10.3445","0.0007","13.5425","0.0008","22.8387","0.0013","90","","98.715","0.001","90","","3162.5","0.3","296","2","296","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C34 H28 Cl0 Co N4 O8 -","- C34 H28 Co N4 O8 -","- C136 H112 Co4 N16 O32 -","4","1","","Xiong, Ying; Liu, Guo Cheng; Wang, Xiuli; Zhang, Juwen; Lin, Hongyan; Sha, Xiao Ting","Polycarboxylates-directed pyridyl-amide-based CoII complexes: fluorescent recognition of Fe3+ and Fe3±functionalized composite materials for enhancing photocatalytic activities","CrystEngComm","2017","","","","","10.1039/C7CE00800G","","","0.71073","MoKα","","0.072","0.0442","","","0.1086","0.1229","","","","","","0.998","","","","has coordinates","198150","2020-10-21","18:00:00",""
"7228547","9.5613","0.0005","17.9661","0.0009","18.761","0.001","90","","101.496","0.001","90","","3158.1","0.3","296","2","296","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C34 H28 Cl0 Co N4 O7 -","- C34 H28 Co N4 O7 -","- C136 H112 Co4 N16 O28 -","4","1","","Xiong, Ying; Liu, Guo Cheng; Wang, Xiuli; Zhang, Juwen; Lin, Hongyan; Sha, Xiao Ting","Polycarboxylates-directed pyridyl-amide-based CoII complexes: fluorescent recognition of Fe3+ and Fe3±functionalized composite materials for enhancing photocatalytic activities","CrystEngComm","2017","","","","","10.1039/C7CE00800G","","","0.71073","MoKα","","0.0745","0.0543","","","0.1651","0.182","","","","","","1.036","","","","has coordinates","198150","2020-10-21","18:00:00",""
"7228548","11.387","0.003","11.587","0.003","11.304","0.003","90","","90.075","0.005","90","","1491.5","0.7","296","2","296","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C28 H30 Cl0 Co N4 O10 -","- C28 H30 Co N4 O10 -","- C56 H60 Co2 N8 O20 -","2","0.5","","Xiong, Ying; Liu, Guo Cheng; Wang, Xiuli; Zhang, Juwen; Lin, Hongyan; Sha, Xiao Ting","Polycarboxylates-directed pyridyl-amide-based CoII complexes: fluorescent recognition of Fe3+ and Fe3±functionalized composite materials for enhancing photocatalytic activities","CrystEngComm","2017","","","","","10.1039/C7CE00800G","","","0.71073","MoKα","","0.1022","0.0531","","","0.115","0.1352","","","","","","1.018","","","","has coordinates","198150","2020-10-21","18:00:00",""
"7228549","10.1194","0.0009","10.7614","0.0009","14.2972","0.0012","103.027","0.002","92.41","0.002","110.531","0.002","1408","0.2","296","2","296","2","","","","","","","","6","P -1","-P 1","2","","","","- C28 H25 Cl0 Co N5 O10 -","- C28 H25 Co N5 O10 -","- C56 H50 Co2 N10 O20 -","2","1","","Xiong, Ying; Liu, Guo Cheng; Wang, Xiuli; Zhang, Juwen; Lin, Hongyan; Sha, Xiao Ting","Polycarboxylates-directed pyridyl-amide-based CoII complexes: fluorescent recognition of Fe3+ and Fe3±functionalized composite materials for enhancing photocatalytic activities","CrystEngComm","2017","","","","","10.1039/C7CE00800G","","","0.71073","MoKα","","0.0944","0.0529","","","0.1069","0.1233","","","","","","1.001","","","","has coordinates","198150","2020-10-21","18:00:00",""
"7228550","8.752","0.0006","10.1217","0.0007","10.4337","0.0008","74.264","0.001","73.235","0.001","79.99","0.001","847.22","0.11","296","2","296","2","","","","","","","","6","P -1","-P 1","2","","","","- C18 H14 Cl0 Co N3 O6 -","- C18 H14 Co N3 O6 -","- C36 H28 Co2 N6 O12 -","2","1","","Xiong, Ying; Liu, Guo Cheng; Wang, Xiuli; Zhang, Juwen; Lin, Hongyan; Sha, Xiao Ting","Polycarboxylates-directed pyridyl-amide-based CoII complexes: fluorescent recognition of Fe3+ and Fe3±functionalized composite materials for enhancing photocatalytic activities","CrystEngComm","2017","","","","","10.1039/C7CE00800G","","","0.71073","MoKα","","0.05","0.0403","","","0.1054","0.1115","","","","","","1.014","","","","has coordinates","198150","2020-10-21","18:00:00",""
"7228551","6.6699","0.0005","34.308","0.003","9.1378","0.001","90","","102.639","0.005","90","","2040.3","0.3","173.15","","173.15","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C20 H8 F3 I3 N2 -","- C20 H8 F3 I3 N2 -","- C80 H32 F12 I12 N8 -","4","1","","Zhang, Pan; Bolla, Geetha; Qiu, Gege; Shu, Zhibin; Yan, Qingqing; Li, Qingyuan; Ding, Shang; Ni, Zhenjie; Zhu, Weigang; dong, huanli; Zhen, Yonggang; Hu, Wenping","Halogen bond cocrystal polymorphs of the 1,4‒di(4’‒pyridyl)‒1,3‒diacetylene","CrystEngComm","2017","","","","","10.1039/C7CE00892A","","","0.71073","MoKα","","0.0351","0.0316","","","0.0614","0.063","","","","","","1.201","","","","has coordinates","198151","2020-10-21","18:00:00",""
"7228552","10.309","0.002","8.9709","0.0018","22.251","0.005","90","","97.88","0.03","90","","2038.4","0.7","173.15","","173.15","","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C20 H8 F3 I3 N2 -","- C20 H8 F3 I3 N2 -","- C80 H32 F12 I12 N8 -","4","1","","Zhang, Pan; Bolla, Geetha; Qiu, Gege; Shu, Zhibin; Yan, Qingqing; Li, Qingyuan; Ding, Shang; Ni, Zhenjie; Zhu, Weigang; dong, huanli; Zhen, Yonggang; Hu, Wenping","Halogen bond cocrystal polymorphs of the 1,4‒di(4’‒pyridyl)‒1,3‒diacetylene","CrystEngComm","2017","","","","","10.1039/C7CE00892A","","","0.71073","MoKα","","0.0462","0.0413","","","0.0641","0.0657","","","","","","1.26","","","","has coordinates","198151","2020-10-21","18:00:00",""
"7228553","8.1093","0.0002","9.6","0.0003","13.0873","0.0004","89.2148","0.0013","84.7426","0.0012","86.5008","0.0012","1012.63","0.05","100","","100","","","","","","","","","4","P -1","-P 1","2","","","","- C24 H22 N4 S -","- C24 H22 N4 S -","- C48 H44 N8 S2 -","2","1","","Kautny, Paul; Glöcklhofer, Florian; Kader, Thomas; Mewes, Jan-Michael; Stoeger, Berthold; Fröhlich, Johannes; Lumpi, Daniel; Plasser, Felix","Charge transfer states in triazole linked donor-acceptor materials: strong effects of chemical modifications and solvation","Phys. Chem. Chem. Phys.","2017","","","","","10.1039/C7CP01664F","","x-ray","0.71073","MoKα","","0.0566","0.0419","","","0.0571","0.058","","","","2.86","2.86","2.53","","","","has coordinates","198162","2020-10-21","18:00:00",""
"7228554","8.8456","0.0007","23.4528","0.0018","10.109","0.0008","90","","104.403","0.002","90","","2031.2","0.3","100","","100","","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C24 H22 N4 S -","- C24 H22 N4 S -","- C96 H88 N16 S4 -","4","1","","Kautny, Paul; Glöcklhofer, Florian; Kader, Thomas; Mewes, Jan-Michael; Stoeger, Berthold; Fröhlich, Johannes; Lumpi, Daniel; Plasser, Felix","Charge transfer states in triazole linked donor-acceptor materials: strong effects of chemical modifications and solvation","Phys. Chem. Chem. Phys.","2017","","","","","10.1039/C7CP01664F","","x-ray","0.71073","MoKα","","0.0448","0.0384","","","0.0536","0.0543","","","","2.95","2.95","2.77","","","","has coordinates","198162","2020-10-21","18:00:00",""
"7228555","20.8317","0.0018","9.8784","0.0009","20.8194","0.0017","90","","105.837","0.004","90","","4121.7","0.6","100","","100","","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C24 H22 N4 S -","- C24 H22 N4 S -","- C192 H176 N32 S8 -","8","1","","Kautny, Paul; Glöcklhofer, Florian; Kader, Thomas; Mewes, Jan-Michael; Stoeger, Berthold; Fröhlich, Johannes; Lumpi, Daniel; Plasser, Felix","Charge transfer states in triazole linked donor-acceptor materials: strong effects of chemical modifications and solvation","Phys. Chem. Chem. Phys.","2017","","","","","10.1039/C7CP01664F","","x-ray","0.71073","MoKα","","0.098","0.0676","","","0.0916","0.0952","","","","2.9","2.9","2.48","","","","has coordinates","198162","2020-10-21","18:00:00",""
"7228556","10.5498","0.0005","11.5578","0.0008","12.2337","0.0008","113.32","0.006","105.223","0.005","100.116","0.005","1254.24","0.17","298.54","0.1","298.54","0.1","","","","","","","","5","P -1","-P 1","2","","","","- C44 H48 Dy2 N14 O16 -","- C44 H48 Dy2 N14 O16 -","- C44 H48 Dy2 N14 O16 -","1","0.5","","Yang, Jing; Ma, Fang; Deng, Xuebin; Sun, Hao-Ling; Zhang, Yiquan","Construction and magnetic study of two new dysprosium complexes with chain or tetranuclear structure","CrystEngComm","2017","","","","","10.1039/C7CE00747G","","x-ray","0.71073","MoKα","","0.0627","0.0488","","","0.0761","0.0865","","","","","","0.9946","","","","has coordinates","198184","2020-10-21","18:00:00",""
"7228557","10.5185","0.0004","12.0831","0.0004","16.6476","0.0004","104.64","0.003","93.446","0.003","92.084","0.003","2040.53","0.12","212","30","212","30","","","","","","","","5","P -1","-P 1","2","","","","- C78 H66 Dy4 N18 O22 -","- C78 H66 Dy4 N18 O22 -","- C78 H66 Dy4 N18 O22 -","1","0.5","","Yang, Jing; Ma, Fang; Deng, Xuebin; Sun, Hao-Ling; Zhang, Yiquan","Construction and magnetic study of two new dysprosium complexes with chain or tetranuclear structure","CrystEngComm","2017","","","","","10.1039/C7CE00747G","","x-ray","1.54184","CuKα","","0.0412","0.0338","","","0.0801","0.0857","","","","","","1.0244","","","","has coordinates","198184","2020-10-21","18:00:00",""
"7228558","27.619","0.003","12.3795","0.0015","13.8652","0.0017","90","","118.922","0.002","90","","4149.4","0.8","293","2","293","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C23 H18 Mn N3 O6.5 -","- C23 H18 Mn N3 O6.5 -","- C184 H144 Mn8 N24 O52 -","8","1","","Bai, Nannan; Hou, Lei; Gao, Ruicheng; Liang, Ji Ye; Yang, Fan; Wang, Yao-Yu","Five 1D to 3D Zn(II)/Mn(II)-CPs Based on Dicarboxyphenyl-terpyridine Ligand: Stepwise Adsorptivity and Magnetic Properties","CrystEngComm","2017","","","","","10.1039/C7CE00786H","","","0.71073","MoKα","","0.0649","0.0417","","","0.0989","0.1112","","","","","","1.016","","","","has coordinates","198185","2020-10-21","18:00:00",""
"7228559","8.6165","0.0014","10.7021","0.0017","10.9629","0.0017","78.643","0.002","87.65","0.002","79.496","0.003","974.5","0.3","","","","","","","","","","","","1","P -1","-P 1","2","","","","- C23 -","- C23 H14 Cl Mn N3 O4 -","- C46 H28 Cl2 Mn2 N6 O8 -","2","1","","Bai, Nannan; Hou, Lei; Gao, Ruicheng; Liang, Ji Ye; Yang, Fan; Wang, Yao-Yu","Five 1D to 3D Zn(II)/Mn(II)-CPs Based on Dicarboxyphenyl-terpyridine Ligand: Stepwise Adsorptivity and Magnetic Properties","CrystEngComm","2017","","","","","10.1039/C7CE00786H","","","","","","0.087","","","","","","","","","","","","","","","has coordinates","198185","2020-10-21","18:00:00",""
"7228560","8.613","0.003","18.593","0.006","38.594","0.012","90","","90","","90","","6181","4","296.15","","296.15","","","","","","","","","5","F d d 2","F 2 -2d","43","","","","- C23 H13 N3 O4 Zn -","- C23 H13 N3 O4 Zn -","- C184 H104 N24 O32 Zn8 -","8","0.5","","Bai, Nannan; Hou, Lei; Gao, Ruicheng; Liang, Ji Ye; Yang, Fan; Wang, Yao-Yu","Five 1D to 3D Zn(II)/Mn(II)-CPs Based on Dicarboxyphenyl-terpyridine Ligand: Stepwise Adsorptivity and Magnetic Properties","CrystEngComm","2017","","","","","10.1039/C7CE00786H","","","0.71073","MoKα","","0.0412","0.0336","","","0.0761","0.0793","","","","","","0.974","","","","has coordinates,has disorder","198185","2020-10-21","18:00:00",""
"7228561","12.2314","0.0017","10.9907","0.0016","15.501","0.002","90","","100.877","0.002","90","","2046.4","0.5","296","2","296.15","","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C23 H15 N3 O5 Zn -","- C23 H15 N3 O5 Zn -","- C92 H60 N12 O20 Zn4 -","4","1","","Bai, Nannan; Hou, Lei; Gao, Ruicheng; Liang, Ji Ye; Yang, Fan; Wang, Yao-Yu","Five 1D to 3D Zn(II)/Mn(II)-CPs Based on Dicarboxyphenyl-terpyridine Ligand: Stepwise Adsorptivity and Magnetic Properties","CrystEngComm","2017","","","","","10.1039/C7CE00786H","","","0.71073","MoKα","","0.1156","0.0501","","","0.1074","0.133","","","","","","0.969","","","","has coordinates","198185","2020-10-21","18:00:00",""
"7228562","11.367","0.004","11.691","0.004","20.986","0.007","80.658","0.006","74.738","0.005","73.042","0.006","2562.4","1.5","296","2","296","2","","","","","","","","5","P -1","-P 1","2","","","","- C46 H49 Mn2 N6 O19 -","- C46 H48 Mn2 N6 O19 -","- C92 H96 Mn4 N12 O38 -","2","1","","Bai, Nannan; Hou, Lei; Gao, Ruicheng; Liang, Ji Ye; Yang, Fan; Wang, Yao-Yu","Five 1D to 3D Zn(II)/Mn(II)-CPs Based on Dicarboxyphenyl-terpyridine Ligand: Stepwise Adsorptivity and Magnetic Properties","CrystEngComm","2017","","","","","10.1039/C7CE00786H","","","0.71073","MoKα","","0.1056","0.0672","","","0.1954","0.2214","","","","","","1.028","","","","has coordinates","198185","2020-10-21","18:00:00",""
"7228563","9.7024","0.0003","9.8685","0.0003","12.5819","0.0004","80.421","0.001","70.629","0.001","65.931","0.001","1037.01","0.06","296","2","296","2","","","","","","","","4","P -1","-P 1","2","","","","- C22 H19 N5 O5 -","- C22 H19 N5 O5 -","- C44 H38 N10 O10 -","2","1","","m, vadivelu; S, Sugirdha; Pandurangan, Dheenkumar; Arun, Y.; Karthikeyan, K.; Chandrasekar, Praveen","Solvent-free implementation of two dissimilar reactions using recyclable CuO nanoparticle under ball-milling conditions: Synthesis of new oxindole-triazole pharmacophores","Green Chem.","2017","","","","","10.1039/C7GC01284E","","","0.71073","MoKα","","0.049","0.0382","","","0.1014","0.1107","","","","","","1.034","","","","has coordinates","198196","2020-10-21","18:00:00",""
"7228564","13.5464","0.0008","13.5464","0.0008","9.5297","0.0005","90","","90","","90","","1748.75","0.17","100","2","100","2","","","","","","","","6","P 4/n","-P 4a","85","","LR337","","- C32 H17.44 B F24 Li O2.72 -","- C32 H17.44 B F24 Li O2.72 -","- C64 H34.88 B2 F48 Li2 O5.44 -","2","","","Carreras, Lucas; Rovira, Laura; Vaquero, Mónica; Mon, Ignasi; Martin, Eddy; Benet-Buchholz, Jordi; Vidal-Ferran, Anton","Syntheses, characterisation and solid-state study of alkali and ammonium BArF salts","RSC Adv.","2017","7","52","32833","","10.1039/C7RA05928K","","","0.71073","MoKα","","0.0688","0.051","","","0.1289","0.141","","","","","","1.069","","","","has coordinates,has disorder","198199","2020-10-21","18:00:00",""
"7228565","13.5956","0.0017","13.5956","0.0017","9.2978","0.0018","90","","90","","90","","1718.6","0.5","100","2","100","2","","","","","","","","6","P 4/n","-P 4a","85","","","","- C32 H14 B F24 O Rb -","- C32 H14 B F24 O Rb -","- C64 H28 B2 F48 O2 Rb2 -","2","","","Carreras, Lucas; Rovira, Laura; Vaquero, Mónica; Mon, Ignasi; Martin, Eddy; Benet-Buchholz, Jordi; Vidal-Ferran, Anton","Syntheses, characterisation and solid-state study of alkali and ammonium BArF salts","RSC Adv.","2017","7","52","32833","","10.1039/C7RA05928K","","","0.71073","MoKα","","0.077","0.0553","","","0.1418","0.1512","","","","","","1.054","","","","has coordinates,has disorder","198199","2020-10-21","18:00:00",""
"7228566","19.2714","0.0008","9.2919","0.0004","24.3117","0.0009","90","","92.9513","0.0014","90","","4347.7","0.3","100","2","100","2","","","","","","","","5","P 1 2/c 1","-P 2yc","13","","","","- C46 H28 B F24 N -","- C46 H28 B F24 N -","- C184 H112 B4 F96 N4 -","4","1","","Carreras, Lucas; Rovira, Laura; Vaquero, Mónica; Mon, Ignasi; Martin, Eddy; Benet-Buchholz, Jordi; Vidal-Ferran, Anton","Syntheses, characterisation and solid-state study of alkali and ammonium BArF salts","RSC Adv.","2017","7","52","32833","","10.1039/C7RA05928K","","","0.71073","MoKα","","0.0965","0.0548","","","0.1304","0.149","","","","","","1.043","","","","has coordinates,has disorder","198199","2020-10-21","18:00:00",""
"7228567","11.0125","0.0005","11.2448","0.0006","11.4104","0.0007","109.792","0.005","100.616","0.004","105.928","0.004","1217.02","0.13","100","2","100","2","","","","","","","","5","P 1","P 1","1","","","","- C48 H32 B F24 N -","- C48 H32 B F24 N -","- C48 H32 B F24 N -","1","1","","Carreras, Lucas; Rovira, Laura; Vaquero, Mónica; Mon, Ignasi; Martin, Eddy; Benet-Buchholz, Jordi; Vidal-Ferran, Anton","Syntheses, characterisation and solid-state study of alkali and ammonium BArF salts","RSC Adv.","2017","7","52","32833","","10.1039/C7RA05928K","","","0.7107","MoKα","","0.0818","0.0739","","","0.1906","0.1945","","","","","","1.03","","","","has coordinates,has disorder","198199","2020-10-21","18:00:00",""
"7228568","22.752","0.005","9.487","0.002","19.182","0.004","90","","94.351","0.007","90","","4128.5","1.5","100","2","100","2","","","","","","","","6","C 1 2 1","C 2y","5","","","","- C40 H26 B F24 N O -","- C40 H26 B F24 N O -","- C160 H104 B4 F96 N4 O4 -","4","1","","Carreras, Lucas; Rovira, Laura; Vaquero, Mónica; Mon, Ignasi; Martin, Eddy; Benet-Buchholz, Jordi; Vidal-Ferran, Anton","Syntheses, characterisation and solid-state study of alkali and ammonium BArF salts","RSC Adv.","2017","7","52","32833","","10.1039/C7RA05928K","","","0.71073","MoKα","","0.057","0.0493","","","0.1256","0.1325","","","","","","1.041","","","","has coordinates,has disorder","198199","2020-10-21","18:00:00",""
"7228569","13.0651","0.0015","13.0711","0.0014","38.978","0.004","87.174","0.003","84.108","0.003","89.978","0.003","6613.2","1.2","100","2","100","2","","","","","","","","6","P 1","P 1","1","","","","- C60 H68 B Cs F24 O7 -","- C60 H68 B Cs F24 O7 -","- C240 H272 B4 Cs4 F96 O28 -","4","4","","Carreras, Lucas; Rovira, Laura; Vaquero, Mónica; Mon, Ignasi; Martin, Eddy; Benet-Buchholz, Jordi; Vidal-Ferran, Anton","Syntheses, characterisation and solid-state study of alkali and ammonium BArF salts","RSC Adv.","2017","7","52","32833","","10.1039/C7RA05928K","","","0.71073","MoKα","","0.0967","0.0879","","","0.2286","0.2359","","","","","","1.023","","","","has coordinates,has disorder","198199","2020-10-21","18:00:00",""
"7228570","16.4686","0.0013","17.9533","0.0015","19.0631","0.0013","77.61","0.003","69.759","0.002","77.079","0.002","5096","0.7","100","2","100","2","","","","","","","","6","P -1","-P 1","2","","","","- C32 H29.33 B0.67 F16 Li0.67 O2.67 -","- C32 H29.3333 B0.666667 F16 Li0.666667 O2.66667 -","- C192 H176 B4 F96 Li4 O16 -","6","3","","Carreras, Lucas; Rovira, Laura; Vaquero, Mónica; Mon, Ignasi; Martin, Eddy; Benet-Buchholz, Jordi; Vidal-Ferran, Anton","Syntheses, characterisation and solid-state study of alkali and ammonium BArF salts","RSC Adv.","2017","7","52","32833","","10.1039/C7RA05928K","","","0.71073","MoKα","","0.1418","0.0705","","","0.1673","0.2094","","","","","","1.031","","","","has coordinates,has disorder","198199","2020-10-21","18:00:00",""
"7228571","17.9001","0.0008","18.5829","0.0008","35.8142","0.0016","90","","90.5574","0.0014","90","","11912.5","0.9","100","2","100","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C56 H60 B F24 Na O6 -","- C56 H60 B F24 Na O6 -","- C448 H480 B8 F192 Na8 O48 -","8","1","","Carreras, Lucas; Rovira, Laura; Vaquero, Mónica; Mon, Ignasi; Martin, Eddy; Benet-Buchholz, Jordi; Vidal-Ferran, Anton","Syntheses, characterisation and solid-state study of alkali and ammonium BArF salts","RSC Adv.","2017","7","52","32833","","10.1039/C7RA05928K","","","0.71073","MoKα","","0.0984","0.0779","","","0.2036","0.2213","","","","","","1.078","","","","has coordinates,has disorder","291143","2024-04-09","08:50:20",""
"7228572","13.5095","0.0005","13.5095","0.0005","9.2868","0.0004","90","","90","","90","","1694.9","0.11","100","2","100","2","","","","","","","","6","P 4/n","-P 4a","85","","","","- C32 H13 B F24 K O0.5 -","- C32 H13 B F24 K O0.5 -","- C64 H26 B2 F48 K2 O -","2","","","Carreras, Lucas; Rovira, Laura; Vaquero, Mónica; Mon, Ignasi; Martin, Eddy; Benet-Buchholz, Jordi; Vidal-Ferran, Anton","Syntheses, characterisation and solid-state study of alkali and ammonium BArF salts","RSC Adv.","2017","7","52","32833","","10.1039/C7RA05928K","","","0.71073","MoKα","","0.0607","0.0541","","","0.1635","0.1687","","","","","","1.112","","","","has coordinates,has disorder","198199","2020-10-21","18:00:00",""
"7228573","15.943","0.0004","15.943","0.0004","14.8521","0.0005","90","","90","","90","","3775.1","0.18","100","2","100","2","","","","","","","","6","I 41/a :2","-I 4ad","88","","","","- C32 H20 B F24 Li O4 -","- C32 H20 B F24 Li O4 -","- C128 H80 B4 F96 Li4 O16 -","4","0.25","","Carreras, Lucas; Rovira, Laura; Vaquero, Mónica; Mon, Ignasi; Martin, Eddy; Benet-Buchholz, Jordi; Vidal-Ferran, Anton","Syntheses, characterisation and solid-state study of alkali and ammonium BArF salts","RSC Adv.","2017","7","52","32833","","10.1039/C7RA05928K","","","0.71073","MoKα","","0.062","0.0489","","","0.1294","0.1387","","","","","","1.055","","","","has coordinates,has disorder","198199","2020-10-21","18:00:00",""
"7228574","13.5537","0.0007","13.5537","0.0007","9.785","0.0007","90","","90","","90","","1797.53","0.18","100","2","100","2","","","","","","","","7","P 4/n","-P 4a","85","","","","- C32 H18.76 B Cl0 F24 Na O2.38 -","- C32 H18.76 B F24 Na O2.38 -","- C64 H37.52 B2 F48 Na2 O4.76 -","2","","","Carreras, Lucas; Rovira, Laura; Vaquero, Mónica; Mon, Ignasi; Martin, Eddy; Benet-Buchholz, Jordi; Vidal-Ferran, Anton","Syntheses, characterisation and solid-state study of alkali and ammonium BArF salts","RSC Adv.","2017","7","52","32833","","10.1039/C7RA05928K","","","0.71073","MoKα","","0.0895","0.0624","","","0.1726","0.1984","","","","","","1.042","","","","has coordinates,has disorder","198199","2020-10-21","18:00:00",""
"7228575","13.7562","0.0004","13.7562","0.0004","19.0303","0.0007","90","","90","","90","","3601.2","0.2","100","2","100","2","","","","","","","","6","P 4/n c c","-P 4a 2ac","130","","","","- C33 H14 B Cl2 Cs F24 -","- C33 H14 B Cl2 Cs F24 -","- C132 H56 B4 Cl8 Cs4 F96 -","4","","","Carreras, Lucas; Rovira, Laura; Vaquero, Mónica; Mon, Ignasi; Martin, Eddy; Benet-Buchholz, Jordi; Vidal-Ferran, Anton","Syntheses, characterisation and solid-state study of alkali and ammonium BArF salts","RSC Adv.","2017","7","52","32833","","10.1039/C7RA05928K","","","0.71073","MoKα","","0.0519","0.0381","","","0.0936","0.1016","","","","","","1.067","","","","has coordinates,has disorder","198199","2020-10-21","18:00:00",""
"7228576","7.131","0.005","10.833","0.008","16.834","0.016","103.207","0.013","96.13","0.013","107.927","0.009","1182.3","1.7","296","2","296","2","","","","","","","","5","P -1","-P 1","2","","","","- C21 H22 Cu N2 O14 -","- C21 H22 Cu N2 O14 -","- C42 H44 Cu2 N4 O28 -","2","1","","Fidelli, Athena M.; Kessler, Vadim G.; Escuer, Albert; Papaefstathiou, Giannis S.","Cu(II) frameworks from a “mixed-ligand” approach","CrystEngComm","2017","","","","","10.1039/C7CE01078H","","","0.71073","MoKα","","0.0553","0.0401","","","0.1039","0.1094","","","","","","1.027","","","","has coordinates","198222","2020-10-21","18:00:00",""
"7228577","7.9068","0.0007","9.2354","0.0009","11.096","0.001","104.38","0.001","106.168","0.001","101.919","0.001","719.97","0.12","296","2","296","2","","","","","","","","5","P -1","-P 1","2","","","","- C32 H24 Cu N4 O12 -","- C32 H24 Cu N4 O12 -","- C32 H24 Cu N4 O12 -","1","0.5","","Fidelli, Athena M.; Kessler, Vadim G.; Escuer, Albert; Papaefstathiou, Giannis S.","Cu(II) frameworks from a “mixed-ligand” approach","CrystEngComm","2017","","","","","10.1039/C7CE01078H","","","0.71073","MoKα","","0.0486","0.0397","","","0.1024","0.1075","","","","","","1.047","","","","has coordinates","198222","2020-10-21","18:00:00",""
"7228578","21.289","0.003","10.6498","0.0016","15.634","0.002","90","","105.939","0.002","90","","3408.3","0.8","296","2","296","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C19 H15 Cu0.5 N2 O7 -","- C19 H15 Cu0.5 N2 O7 -","- C152 H120 Cu4 N16 O56 -","8","1","","Fidelli, Athena M.; Kessler, Vadim G.; Escuer, Albert; Papaefstathiou, Giannis S.","Cu(II) frameworks from a “mixed-ligand” approach","CrystEngComm","2017","","","","","10.1039/C7CE01078H","","","0.71073","MoKα","","0.0394","0.0304","","","0.0814","0.085","","","","","","0.989","","","","has coordinates","198222","2020-10-21","18:00:00",""
"7228579","15.436","0.002","10.2155","0.0017","12.2521","0.0019","90","","90","","90","","1932","0.5","293","2","293","2","","","","","","","","5","P n a 21","P 2c -2n","33","","","","- C20 H14 Cu2 N2 O9 -","- C20 H14 Cu2 N2 O9 -","- C80 H56 Cu8 N8 O36 -","4","1","","Fidelli, Athena M.; Kessler, Vadim G.; Escuer, Albert; Papaefstathiou, Giannis S.","Cu(II) frameworks from a “mixed-ligand” approach","CrystEngComm","2017","","","","","10.1039/C7CE01078H","","","0.71073","MoKα","","0.0254","0.0241","","","0.0637","0.0643","","","","","","1.071","","","","has coordinates","198222","2020-10-21","18:00:00",""
"7228580","23.644","0.003","11.6083","0.0016","18.18","0.003","90","","119.007","0.001","90","","4363.9","1.1","296","2","296","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C46 H34 Cu4 N4 O21 -","- C46 H34 Cu4 N4 O21 -","- C184 H136 Cu16 N16 O84 -","4","0.5","","Fidelli, Athena M.; Kessler, Vadim G.; Escuer, Albert; Papaefstathiou, Giannis S.","Cu(II) frameworks from a “mixed-ligand” approach","CrystEngComm","2017","","","","","10.1039/C7CE01078H","","","0.71073","MoKα","","0.0335","0.0289","","","0.077","0.0794","","","","","","1.057","","","","has coordinates","198222","2020-10-21","18:00:00",""
"7228581","10.208","0.006","16.333","0.009","27.106","0.015","90","","94.515","0.014","90","","4505","4","296","2","296","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C37 H35 Cu4 N4 O23 -","- C37 H27 Cu4 N4 O23 -","- C148 H108 Cu16 N16 O92 -","4","1","","Fidelli, Athena M.; Kessler, Vadim G.; Escuer, Albert; Papaefstathiou, Giannis S.","Cu(II) frameworks from a “mixed-ligand” approach","CrystEngComm","2017","","","","","10.1039/C7CE01078H","","","0.71073","MoKα","","0.0504","0.0468","","","0.1447","0.1467","","","","","","1.099","","","","has coordinates","198222","2020-10-21","18:00:00",""
"7228582","23.809","0.003","11.5102","0.0012","18.1434","0.0019","90","","119.925","0.001","90","","4309.2","0.8","296","2","296","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C23 H17 Cu2 N2 O9 -","- C23 H17 Cu2 N2 O9 -","- C184 H136 Cu16 N16 O72 -","8","1","","Fidelli, Athena M.; Kessler, Vadim G.; Escuer, Albert; Papaefstathiou, Giannis S.","Cu(II) frameworks from a “mixed-ligand” approach","CrystEngComm","2017","","","","","10.1039/C7CE01078H","","","0.71073","MoKα","","0.0256","0.0229","","","0.0629","0.0642","","","","","","1.062","","","","has coordinates","198222","2020-10-21","18:00:00",""
"7228583","13.744","0.017","7.959","0.01","16.19","0.02","90","","94.942","0.015","90","","1764","4","296","2","296","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C19 H17 Cu0.5 N2 O7 -","- C19 H17 Cu0.5 N2 O7 -","- C76 H68 Cu2 N8 O28 -","4","1","","Fidelli, Athena M.; Kessler, Vadim G.; Escuer, Albert; Papaefstathiou, Giannis S.","Cu(II) frameworks from a “mixed-ligand” approach","CrystEngComm","2017","","","","","10.1039/C7CE01078H","","","0.71073","MoKα","","0.1002","0.0656","","","0.1581","0.1877","","","","","","0.837","","","","has coordinates","198222","2020-10-21","18:00:00",""
"7228584","8.658","0.005","8.814","0.005","13.685","0.005","99.284","0.005","95.029","0.005","102.349","0.005","998.7","0.9","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C40 H42 Cu N4 O22 -","- C40 H42 Cu N4 O22 -","- C40 H42 Cu N4 O22 -","1","0.5","","Fidelli, Athena M.; Kessler, Vadim G.; Escuer, Albert; Papaefstathiou, Giannis S.","Cu(II) frameworks from a “mixed-ligand” approach","CrystEngComm","2017","","","","","10.1039/C7CE01078H","","","0.71073","MoKα","","0.037","0.0313","","","0.0859","0.0886","","","","","","1.113","","","","has coordinates","198222","2020-10-21","18:00:00",""
"7228585","11.7804","0.0005","12.0677","0.0006","14.8096","0.0008","99.043","0.002","94.199","0.002","93.992","0.002","2066.57","0.18","293","2","293","2","","","","","","","","6","P -1","-P 1","2","","","","- C48 H58 Br18 N6 O14 Pb6 -","- C48 H58 Br18 N6 O14 Pb6 -","- C48 H58 Br18 N6 O14 Pb6 -","1","0.5","","Sun, Cai; Wang, Ming-Sheng; Zhang, Xian; Zhang, Ning-Ning; Cai, Lin-Rong; Guo, Guo-Cong","Viologen-Templated Bromoplumbate: A New in situ Synthetic Method and Energy Gap Engineering","CrystEngComm","2017","","","","","10.1039/C7CE00919D","","","0.71073","MoKα","","0.0602","0.0393","","","0.0794","0.0823","","","","","","0.985","","","","has coordinates","198223","2020-10-21","18:00:00",""
"7228586","8.4909","0.0018","17.309","0.004","8.0641","0.0017","90","","101.652","0.004","90","","1160.7","0.4","298","2","298","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C12 H13 N3 O3 -","- C12 H13 N3 O3 -","- C48 H52 N12 O12 -","4","1","","Goswami, Pramod Kumar; Kumar, Vineet; Thaimattam, Ram; Ramanan , A.","Structural landscape of multicomponent solids of 5-aminosalicylic acid","CrystEngComm","2017","","","","","10.1039/C7CE01008G","","","0.71073","MoKα","","0.1246","0.1004","","","0.1768","0.1879","","","","","","1.208","","","","has coordinates","198224","2020-10-21","18:00:00",""
"7228587","12.419","0.003","6.8084","0.0014","13.235","0.003","90","","109.272","0.003","90","","1056.4","0.4","298","2","298","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C7 H11 N O8 S -","- C7 H11 N O8 S -","- C28 H44 N4 O32 S4 -","4","1","","Goswami, Pramod Kumar; Kumar, Vineet; Thaimattam, Ram; Ramanan , A.","Structural landscape of multicomponent solids of 5-aminosalicylic acid","CrystEngComm","2017","","","","","10.1039/C7CE01008G","","","0.71073","MoKα","","0.0543","0.0473","","","0.1043","0.1077","","","","","","1.162","","","","has coordinates","198224","2020-10-21","18:00:00",""
"7228588","8.187","0.005","15.276","0.01","17.425","0.011","90","","90","","90","","2179","2","298","2","298","2","","","","","","","","4","P n n a","-P 2a 2bc","52","","","","- C24 H22 N4 O6 -","- C24 H22 N4 O6 -","- C96 H88 N16 O24 -","4","0.5","","Goswami, Pramod Kumar; Kumar, Vineet; Thaimattam, Ram; Ramanan , A.","Structural landscape of multicomponent solids of 5-aminosalicylic acid","CrystEngComm","2017","","","","","10.1039/C7CE01008G","","","0.71073","MoKα","","0.1736","0.0954","","","0.1719","0.2069","","","","","","1.038","","","","has coordinates","198224","2020-10-21","18:00:00",""
"7228589","16.767","0.004","6.8109","0.0014","22.399","0.005","90","","90","","90","","2557.9","1","298","2","298","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C9 H8 Cl3 N O5 -","- C9 H8 Cl3 N O5 -","- C72 H64 Cl24 N8 O40 -","8","1","","Goswami, Pramod Kumar; Kumar, Vineet; Thaimattam, Ram; Ramanan , A.","Structural landscape of multicomponent solids of 5-aminosalicylic acid","CrystEngComm","2017","","","","","10.1039/C7CE01008G","","","0.71073","MoKα","","0.1005","0.097","","","0.2266","0.2298","","","","","","1.13","","","","has coordinates","198224","2020-10-21","18:00:00",""
"7228590","6.71","0.004","11.379","0.007","12.011","0.007","108.276","0.01","90.859","0.011","102.008","0.01","848.6","0.9","298","2","298","2","","","","","","","","5","P -1","-P 1","2","","","","- C14 H18 N2 O11 S -","- C14 H18 N2 O11 S -","- C28 H36 N4 O22 S2 -","2","1","","Goswami, Pramod Kumar; Kumar, Vineet; Thaimattam, Ram; Ramanan , A.","Structural landscape of multicomponent solids of 5-aminosalicylic acid","CrystEngComm","2017","","","","","10.1039/C7CE01008G","","","0.71073","MoKα","","0.1374","0.0621","","","0.0992","0.1172","","","","","","0.839","","","","has coordinates","198224","2020-10-21","18:00:00",""
"7228591","6.6805","0.0007","18.0494","0.0018","8.8346","0.0009","90","","96.66","0.002","90","","1058.08","0.19","298","2","298","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C8 H11 N O6 S -","- C8 H11 N O6 S -","- C32 H44 N4 O24 S4 -","4","1","","Goswami, Pramod Kumar; Kumar, Vineet; Thaimattam, Ram; Ramanan , A.","Structural landscape of multicomponent solids of 5-aminosalicylic acid","CrystEngComm","2017","","","","","10.1039/C7CE01008G","","","0.71073","MoKα","","0.0333","0.0323","","","0.0846","0.0855","","","","","","1.058","","","","has coordinates","198224","2020-10-21","18:00:00",""
"7228592","5.261","0.003","35.453","0.02","5.591","0.003","90","","103.839","0.011","90","","1012.6","1","298","2","298","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C7 H10 N2 O7 -","- C7 H10 N2 O7 -","- C28 H40 N8 O28 -","4","1","","Goswami, Pramod Kumar; Kumar, Vineet; Thaimattam, Ram; Ramanan , A.","Structural landscape of multicomponent solids of 5-aminosalicylic acid","CrystEngComm","2017","","","","","10.1039/C7CE01008G","","","0.71073","MoKα","","0.0993","0.0788","","","0.1585","0.1685","","","","","","1.144","","","","has coordinates","198224","2020-10-21","18:00:00",""
"7228593","8.401","0.003","9.361","0.004","14.212","0.006","101.827","0.008","96.58","0.008","106.511","0.008","1030.9","0.7","298","2","298","2","","","","","","","","4","P -1","-P 1","2","","","","- C25 H22 N4 O3 -","- C25 H22 N4 O3 -","- C50 H44 N8 O6 -","2","1","","Goswami, Pramod Kumar; Kumar, Vineet; Thaimattam, Ram; Ramanan , A.","Structural landscape of multicomponent solids of 5-aminosalicylic acid","CrystEngComm","2017","","","","","10.1039/C7CE01008G","","","0.71073","MoKα","","0.1341","0.0823","","","0.2271","0.2572","","","","","","1.077","","","","has coordinates","198224","2020-10-21","18:00:00",""
"7228594","6.5529","0.001","17.206","0.003","8.519","0.0013","90","","102.731","0.003","90","","936.9","0.3","298","2","298","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C9 H12 N2 O3 -","- C9 H12 N2 O3 -","- C36 H48 N8 O12 -","4","1","","Goswami, Pramod Kumar; Kumar, Vineet; Thaimattam, Ram; Ramanan , A.","Structural landscape of multicomponent solids of 5-aminosalicylic acid","CrystEngComm","2017","","","","","10.1039/C7CE01008G","","","0.71073","MoKα","","0.0855","0.0767","","","0.1696","0.1748","","","","","","1.21","","","","has coordinates","198224","2020-10-21","18:00:00",""
"7228595","9.397","0.003","8.445","0.002","21.93","0.006","90","","91.071","0.005","90","","1740","0.8","298","2","298","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C20 H21 N3 O3 -","- C20 H21 N3 O3 -","- C80 H84 N12 O12 -","4","1","","Goswami, Pramod Kumar; Kumar, Vineet; Thaimattam, Ram; Ramanan , A.","Structural landscape of multicomponent solids of 5-aminosalicylic acid","CrystEngComm","2017","","","","","10.1039/C7CE01008G","","","0.71073","MoKα","","0.0689","0.0543","","","0.1249","0.1322","","","","","","1.102","","","","has coordinates","198224","2020-10-21","18:00:00",""
"7228596","15.0721","0.0008","15.6298","0.0009","17.039","0.001","90","","92.792","0.002","90","","4009.2","0.4","173","2","173","2","","","","","","","","8","P 1 21 1","P 2yb","4","","","","- C81 H76 Ag2 As2 B2 F16 N8 O2 -","- C81 H76 Ag2 As2 B2 F16 N8 O2 -","- C162 H152 Ag4 As4 B4 F32 N16 O4 -","2","1","","Zhang, Fan; Baudron, Stéphane; Hosseini, Mir Wais","Solvent and anion effects on the organization of a luminescent [2+2] BODIPY/Ag(I) metallamacrocycle in the crystalline state","CrystEngComm","2017","","","","","10.1039/C7CE00997F","","","0.71073","MoKα","","0.0742","0.0442","","","0.0916","0.1037","","","","","","1.024","","","","has coordinates","198226","2020-10-21","18:00:00",""
"7228597","10.2626","0.0005","19.2729","0.001","21.5355","0.0011","112.493","0.002","91.099","0.002","92.32","0.002","3929.5","0.3","173","2","173","2","","","","","","","","8","P -1","-P 1","2","","","","- C78 H64 Ag2 B2 Cl8 F4 N8 O8 -","- C78 H64 Ag2 B2 Cl8 F4 N8 O8 -","- C156 H128 Ag4 B4 Cl16 F8 N16 O16 -","2","1","","Zhang, Fan; Baudron, Stéphane; Hosseini, Mir Wais","Solvent and anion effects on the organization of a luminescent [2+2] BODIPY/Ag(I) metallamacrocycle in the crystalline state","CrystEngComm","2017","","","","","10.1039/C7CE00997F","","","0.71073","MoKα","","0.1646","0.0631","","","0.1677","0.2037","","","","","","1.055","","","","has coordinates,has disorder","198226","2020-10-21","18:00:00",""
"7228598","8.0763","0.0004","18.6613","0.0011","10.3428","0.0005","90","","91.98","0.002","90","","1557.88","0.14","173","2","173","2","","","","","","","","5","P 1 21/m 1","-P 2yb","11","","","","- C38 H31 B F2 N4 -","- C38 H31 B F2 N4 -","- C76 H62 B2 F4 N8 -","2","0.5","","Zhang, Fan; Baudron, Stéphane; Hosseini, Mir Wais","Solvent and anion effects on the organization of a luminescent [2+2] BODIPY/Ag(I) metallamacrocycle in the crystalline state","CrystEngComm","2017","","","","","10.1039/C7CE00997F","","","0.71073","MoKα","","0.1091","0.0645","","","0.1318","0.1531","","","","","","1.109","","","","has coordinates","198226","2020-10-21","18:00:00",""
"7228599","12.7233","0.0005","14.9725","0.0006","23.8231","0.001","90.384","0.002","91.008","0.002","103.876","0.002","4404.9","0.3","173","2","173","2","","","","","","","","9","P -1","-P 1","2","","","","- C170 H158 Ag4 As4 B4 Cl6 F32 N16 O8 -","- C170 H158 Ag4 As4 B4 Cl6 F32 N16 O8 -","- C170 H158 Ag4 As4 B4 Cl6 F32 N16 O8 -","1","0.5","","Zhang, Fan; Baudron, Stéphane; Hosseini, Mir Wais","Solvent and anion effects on the organization of a luminescent [2+2] BODIPY/Ag(I) metallamacrocycle in the crystalline state","CrystEngComm","2017","","","","","10.1039/C7CE00997F","","","0.71073","MoKα","","0.17","0.0862","","","0.2291","0.2786","","","","","","1.037","","","","has coordinates","198226","2020-10-21","18:00:00",""
"7228600","9.9301","0.0008","23.0445","0.0019","13.4889","0.0011","90","","99.355","0.005","90","","3045.7","0.4","173","2","173","2","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","","","- C38 H32 N4 -","- C38 H32 N4 -","- C152 H128 N16 -","4","1","","Zhang, Fan; Baudron, Stéphane; Hosseini, Mir Wais","Solvent and anion effects on the organization of a luminescent [2+2] BODIPY/Ag(I) metallamacrocycle in the crystalline state","CrystEngComm","2017","","","","","10.1039/C7CE00997F","","","0.71073","MoKα","","0.1698","0.0657","","","0.1454","0.1871","","","","","","0.999","","","","has coordinates","198226","2020-10-21","18:00:00",""
"7228601","18.9253","0.0008","8.4818","0.0004","24.5491","0.0011","90","","101.466","0.002","90","","3862","0.3","173","2","173","2","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C39 H32 Ag B2 Cl3 F6 N4 -","- C39 H32 Ag B2 Cl3 F6 N4 -","- C156 H128 Ag4 B8 Cl12 F24 N16 -","4","1","","Zhang, Fan; Baudron, Stéphane; Hosseini, Mir Wais","Solvent and anion effects on the organization of a luminescent [2+2] BODIPY/Ag(I) metallamacrocycle in the crystalline state","CrystEngComm","2017","","","","","10.1039/C7CE00997F","","","0.71073","MoKα","","0.1842","0.1248","","","0.3275","0.3709","","","","","","1.025","","","","has coordinates,has disorder","198226","2020-10-21","18:00:00",""
"7228602","7.814","0.0013","5.7599","0.001","10.8324","0.0019","90","","90","","90","","487.54","0.15","130","2","130","2","","","","","","","","3","P b c a","-P 2ac 2ab","61","tetrafluorodithietane","2,2,4,4-tetrafluoro-1,3-dithietane","","- C2 F4 S2 -","- C2 F4 S2 -","- C8 F16 S8 -","4","0.5","","nayak, susanta K.; Kumar, Vijith; Murray, Jane; Politzer, Peter; Terraneo, Giancarlo; Pilati, Tullio; Metrangolo, Pierangelo; Resnati, Giuseppe","Fluorination promotes chalcogen/tetrel bonding in crystalline solids","CrystEngComm","2017","","","","","10.1039/C7CE01070B","","","0.71073","MoKα","","0.0358","0.0271","","","0.0625","0.0649","","","","","","0.958","","","","has coordinates","198227","2020-10-21","18:00:00",""
"7228603","27.217","0.005","10.277","0.002","14.795","0.003","90","","110.06","0.03","90","","3887.2","1.5","293","2","293","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C40 H30 F8 I2 N6 -","- C40 H30 F8 I2 N6 -","- C160 H120 F32 I8 N24 -","4","0.5","","Wang, Yufei; Shang, Hongxing; Li, Bao; Zhang, Houyu; Jiang, Shimei","Modulating the assembly of N-benzylideneaniline by halogen bonding: crystal, cocrystal and liquid crystals","CrystEngComm","2017","","","","","10.1039/C7CE00805H","","","0.71073","MoKα","","0.0358","0.0285","","","0.0742","0.0762","","","","","","1.086","","","","has coordinates","198273","2020-10-21","18:00:00",""
"7228604","6.2963","0.0013","10.568","0.002","22.978","0.005","90","","92.7","0.03","90","","1527.2","0.5","293","2","293","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C15 H11 F4 I N2 -","- C15 H11 F4 I N2 -","- C60 H44 F16 I4 N8 -","4","2","","Wang, Yufei; Shang, Hongxing; Li, Bao; Zhang, Houyu; Jiang, Shimei","Modulating the assembly of N-benzylideneaniline by halogen bonding: crystal, cocrystal and liquid crystals","CrystEngComm","2017","","","","","10.1039/C7CE00805H","","","0.71073","MoKα","","0.0784","0.0569","","","0.1261","0.1366","","","","","","1.058","","","","has coordinates","198273","2020-10-21","18:00:00",""
"7228605","7.7835","0.0006","12.1558","0.0008","28.405","0.003","90","","90","","90","","2687.5","0.4","100","0.1","100","0.1","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C33 H40 O4 -","- C33 H40 O4 -","- C132 H160 O16 -","4","1","","Tian, Wen-Jing; Qiu, Yu-Qin; Chen, Jun-Jie; Yao, Xiao-Jun; Wang, Guang-Hui; Dai, Yi; Chen, Hai-Feng; Yao, Xin-Sheng","Norsampsone E, an unprecedented decarbonyl polycyclic polyprenylated acylphloroglucinol with a homoadamantyl core from Hypericum sampsonii","RSC Adv.","2017","7","53","33113","","10.1039/C7RA05947G","","x-ray","1.54184","CuKα","","0.1367","0.0977","","","0.2371","0.275","","","","","","1.069","","","","has coordinates","198277","2020-10-21","18:00:00",""
"7228606","14.15822","0.00019","17.0208","0.0003","24.2524","0.0004","90","","90","","90","","5844.45","0.16","150.05","0.1","150.05","0.1","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C33 H42 O5 -","- C33 H42 O5 -","- C264 H336 O40 -","8","2","","Tian, Wen-Jing; Qiu, Yu-Qin; Chen, Jun-Jie; Yao, Xiao-Jun; Wang, Guang-Hui; Dai, Yi; Chen, Hai-Feng; Yao, Xin-Sheng","Norsampsone E, an unprecedented decarbonyl polycyclic polyprenylated acylphloroglucinol with a homoadamantyl core from Hypericum sampsonii","RSC Adv.","2017","7","53","33113","","10.1039/C7RA05947G","","","1.54184","CuKα","","0.0423","0.0396","","","0.0993","0.1022","","","","","","1.045","","","","has coordinates,has disorder","198277","2020-10-21","18:00:00",""
"7228607","9.8352","0.0005","11.51","0.0007","49.946","0.003","90","","90","","90","","5654","0.6","160","0.14","160","0.14","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C33 H42 O5 -","- C33 H42 O5 -","- C264 H336 O40 -","8","2","","Tian, Wen-Jing; Qiu, Yu-Qin; Chen, Jun-Jie; Yao, Xiao-Jun; Wang, Guang-Hui; Dai, Yi; Chen, Hai-Feng; Yao, Xin-Sheng","Norsampsone E, an unprecedented decarbonyl polycyclic polyprenylated acylphloroglucinol with a homoadamantyl core from Hypericum sampsonii","RSC Adv.","2017","7","53","33113","","10.1039/C7RA05947G","","","1.54184","CuKα","","0.0573","0.042","","","0.0849","0.0932","","","","","","0.999","","","","has coordinates","198277","2020-10-21","18:00:00",""
"7228611","7.6253","0.0003","10.0149","0.0004","12.9039","0.0005","95.695","0.002","93.482","0.002","97.522","0.002","969.41","0.07","140","2","140","2","","","","","","","","4","P -1","-P 1","2","","","","- C22 H28 N4 O0 -","- C22 H28 N4 -","- C44 H56 N8 -","2","1","","Wang, Zhonglong; Yang, Jinlai; Yang, Yiqin; Fang, Hua; Xu, Xu; Rui, Jian; Su, Fan; Xu, Haijun; Wang, Shifa","A novel hexahydroquinazolin-2-amine-based fluorescence sensor for Cu2+ from isolongifolanone and its biological applications","RSC Adv.","2017","7","53","33263","","10.1039/C7RA04484D","","","0.71073","MoKα","","0.1363","0.0692","","","0.151","0.1712","","","","","","1.017","","","","has coordinates","198306","2020-10-21","18:00:00",""
"7228612","13.2651","0.0001","22.5628","0.0002","14.5925","0.0001","90","","94.564","0.001","90","","4353.65","0.06","100","2","100","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C49 H57 Mo2 O2 P Sn -","- C49 H57 Mo2 O2 P Sn -","- C196 H228 Mo8 O8 P4 Sn4 -","4","1","","Alvarez, M. Angeles; Amor, Inmaculada; García, M. Esther; García-Vivó, Daniel; Ruiz, Miguel A.; Suárez, Jaime","Sn‒H bond additions to asymmetric trigonal phosphinidene-bridged dimolybdenum complexes","RSC Adv.","2017","7","53","33293","","10.1039/C7RA06439J","","","1.5418","CuKα","","0.0394","0.0282","","","0.0717","0.0913","","","","","","0.915","","","","has coordinates","198307","2020-10-21","18:00:00",""
"7228613","10.8296","0.0008","18.5024","0.0012","24.3014","0.0016","78.476","0.006","80.063","0.006","76.777","0.006","4603.4","0.6","100","2","100","2","","","","","","","","6","P -1","-P 1","2","","","","- C48 H55 Mo2 O2 P Sn -","- C48 H55 Mo2 O2 P Sn -","- C192 H220 Mo8 O8 P4 Sn4 -","4","2","","Alvarez, M. Angeles; Amor, Inmaculada; García, M. Esther; García-Vivó, Daniel; Ruiz, Miguel A.; Suárez, Jaime","Sn‒H bond additions to asymmetric trigonal phosphinidene-bridged dimolybdenum complexes","RSC Adv.","2017","7","53","33293","","10.1039/C7RA06439J","","x-ray","1.54184","CuKα","","0.2011","0.0958","","","0.2538","0.3114","","","","","","0.955","","","","has coordinates","198307","2020-10-21","18:00:00",""
"7228614","12.3155","0.0003","16.736","0.0004","15.9369","0.0006","90","","116.248","0.001","90","","2946.09","0.15","100","2","100","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C31 H43 Mo2 O2 P -","- C31 H43 Mo2 O2 P -","- C124 H172 Mo8 O8 P4 -","4","1","","Alvarez, M. Angeles; Amor, Inmaculada; García, M. Esther; García-Vivó, Daniel; Ruiz, Miguel A.; Suárez, Jaime","Sn‒H bond additions to asymmetric trigonal phosphinidene-bridged dimolybdenum complexes","RSC Adv.","2017","7","53","33293","","10.1039/C7RA06439J","","x-ray","0.71073","MoKα","","0.0656","0.045","","","0.1186","0.1571","","","","","","0.971","","","","has coordinates","198307","2020-10-21","18:00:00",""
"7228615","9.427","0.003","14.221","0.005","15.414","0.005","92.275","0.006","95.615","0.006","101.926","0.006","2008.3","1.2","296","2","296","2","","","","","","","","6","P -1","-P 1","2","","","","- C68 H104 Cl6 Co N12 O8 -","- C68 H104 Cl6 Co N12 O8 -","- C68 H104 Cl6 Co N12 O8 -","1","0.5","","Li, Jie; Zhang, Yao; Yang, Mingyan; Ma, Haixia","Two novel Co(ii) and Ni(ii) complexes of tebuconazole with enhanced antifungal activities","RSC Adv.","2017","7","53","33364","","10.1039/C7RA03629A","","","0.71073","MoKα","","0.1575","0.0753","","","0.1934","0.2412","","","","","","0.957","","","","has coordinates","198308","2020-10-21","18:00:00",""
"7228616","9.35","0.003","14.154","0.004","15.27","0.004","92.11","0.006","95.644","0.006","101.787","0.005","1965.3","1","296","2","296","2","","","","","","","","6","P -1","-P 1","2","","","","- C68 H104 Cl6 N12 Ni O8 -","- C68 H104 Cl6 N12 Ni O8 -","- C68 H104 Cl6 N12 Ni O8 -","1","0.5","","Li, Jie; Zhang, Yao; Yang, Mingyan; Ma, Haixia","Two novel Co(ii) and Ni(ii) complexes of tebuconazole with enhanced antifungal activities","RSC Adv.","2017","7","53","33364","","10.1039/C7RA03629A","","","0.71073","MoKα","","0.1952","0.083","","","0.182","0.2455","","","","","","0.933","","","","has coordinates","198308","2020-10-21","18:00:00",""
"7228617","14.1861","0.0004","7.38696","0.00018","15.4711","0.0004","90","","110.333","0.003","90","","1520.23","0.07","293","2","293.15","","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C12 H13 N5 O8 -","- C12 H13 N5 O8 -","- C48 H52 N20 O32 -","4","1","","Yang, Haijun; Liu, Yuejia; Ning, Hongli; Lei, Jianlei; Hu, Gang","Synthesis, structure and properties of imidazolium-based energetic ionic liquids","RSC Adv.","2017","7","53","33231","","10.1039/C7RA05601J","","x-ray","1.54184","CuKα","","0.0525","0.0479","","","0.1292","0.1334","","","","","","1.069","","","","has coordinates","198309","2020-10-21","18:00:00",""
"7228618","11.0072","0.0013","8.8756","0.0007","17.3685","0.0017","90","","99.588","0.01","90","","1673.1","0.3","293","2","293.15","","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C12 H12 N6 O10 -","- C12 H12 N6 O10 -","- C48 H48 N24 O40 -","4","1","","Yang, Haijun; Liu, Yuejia; Ning, Hongli; Lei, Jianlei; Hu, Gang","Synthesis, structure and properties of imidazolium-based energetic ionic liquids","RSC Adv.","2017","7","53","33231","","10.1039/C7RA05601J","","x-ray","1.54184","CuKα","","0.0813","0.0702","","","0.2069","0.2307","","","","","","1.112","","","","has coordinates","198309","2020-10-21","18:00:00",""
"7228619","6.7821","0.0004","9.5516","0.0006","10.388","0.0005","94.882","0.004","96.973","0.004","110.449","0.005","619.95","0.07","293","2","293.15","","","","","","","","","4","P -1","-P 1","2","","","","- C8 H11 N7 O5 -","- C8 H11 N7 O5 -","- C16 H22 N14 O10 -","2","1","","Yang, Haijun; Liu, Yuejia; Ning, Hongli; Lei, Jianlei; Hu, Gang","Synthesis, structure and properties of imidazolium-based energetic ionic liquids","RSC Adv.","2017","7","53","33231","","10.1039/C7RA05601J","","x-ray","1.54184","CuKα","","0.0429","0.0408","","","0.113","0.1152","","","","","","1.04","","","","has coordinates","198309","2020-10-21","18:00:00",""
"7228620","19.3197","0.0006","8.699","0.0002","9.8963","0.0003","90","","92.2801","0.0015","90","","1661.88","0.08","295","2","295","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","4-pentyloxybenzylidene-4'-chloroaniline","4-pentyloxybenzylidene-4'-chloroaniline","","- C18 H20 Cl N O -","- C18 H20 Cl N O -","- C72 H80 Cl4 N4 O4 -","4","1","","Yamamura, Yasuhisa; Murakoshi, Takahito; Iwagaki, Sakiko; Osiecka, Natalia; Galewski, Zbigniew; Saitoh, Hideki; Hishida, Mafumi; Massalska-Arodz, Maria; SAITO, Kazuya","Structure and molecular packing in smectic BCr and Ad phases of Schiff base liquid crystal compounds through analyses of layer spacing, entropy and crystal structure","Phys. Chem. Chem. Phys.","2017","","","","","10.1039/C7CP03863A","","","0.71073","MoKα","","0.0633","0.0406","","","0.1037","0.1154","","","","","","1.059","","","","has coordinates,has disorder","198358","2020-10-21","18:00:00",""
"7228621","6.1002","0.0003","7.3335","0.0004","36.4538","0.0018","90","","90","","90","","1630.79","0.14","295","2","295","2","","","","","","","","5","P c a 21","P 2c -2ac","29","4-chlorobenzylidene-4'-pentyloxyaniline","4-chlorobenzylidene-4'-pentyloxyaniline","","- C18 H20 Cl N O -","- C18 H20 Cl N O -","- C72 H80 Cl4 N4 O4 -","4","1","","Yamamura, Yasuhisa; Murakoshi, Takahito; Iwagaki, Sakiko; Osiecka, Natalia; Galewski, Zbigniew; Saitoh, Hideki; Hishida, Mafumi; Massalska-Arodz, Maria; SAITO, Kazuya","Structure and molecular packing in smectic BCr and Ad phases of Schiff base liquid crystal compounds through analyses of layer spacing, entropy and crystal structure","Phys. Chem. Chem. Phys.","2017","","","","","10.1039/C7CP03863A","","","0.71073","MoKα","","0.0561","0.0389","","","0.1042","0.1128","","","","","","1.083","","","","has coordinates","198358","2020-10-21","18:00:00",""
"7228622","18.4072","0.0007","8.61246","0.00016","9.9664","0.0002","93.7782","0.0016","90.5052","0.0014","95.6436","0.001","1568.72","0.07","106","1","106","1","","","","","","","","5","P -1","-P 1","2","4-pentyloxybenzylidene-4'-chloroaniline","4-pentyloxybenzylidene-4'-chloroaniline","","- C18 H20 Cl N O -","- C18 H20 Cl N O -","- C72 H80 Cl4 N4 O4 -","4","2","","Yamamura, Yasuhisa; Murakoshi, Takahito; Iwagaki, Sakiko; Osiecka, Natalia; Galewski, Zbigniew; Saitoh, Hideki; Hishida, Mafumi; Massalska-Arodz, Maria; SAITO, Kazuya","Structure and molecular packing in smectic BCr and Ad phases of Schiff base liquid crystal compounds through analyses of layer spacing, entropy and crystal structure","Phys. Chem. Chem. Phys.","2017","","","","","10.1039/C7CP03863A","","","1.5412","synchrotron","","0.0834","0.0786","","","0.2945","0.2983","","","","","","1.246","","","","has coordinates","198358","2020-10-21","18:00:00",""
"7228623","9.16165","0.00019","9.5804","0.0002","25.5833","0.0006","90","","90","","90","","2245.5","0.08","103.3","","103.3","","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C20 H30 N2 O8 S2 -","- C20 H30 N2 O8 S2 -","- C80 H120 N8 O32 S8 -","4","1","","Niu, Siwen; Liu, Dong; Shao, Zongze; Proksch, Peter; Lin, Wenhan","Eutypellazines A‒M, thiodiketopiperazine-type alkaloids from deep sea derived fungus Eutypella sp. MCCC 3A00281","RSC Adv.","2017","7","53","33580","","10.1039/C7RA05774A","","","1.5418","CuKα","","0.0414","0.0394","","","0.0994","0.1015","","","","","","1.031","","","","has coordinates,has disorder","198359","2020-10-21","18:00:00",""
"7228624","14.08776","0.00018","15.89161","0.00019","27.952","0.0004","90","","90","","90","","6257.82","0.14","99.9","","99.9","","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C20.21 H22.84 N2 O5.4 S2 -","- C20.2107 H22.8427 N2 O5.40967 S2 -","- C242.528 H274.112 N24 O64.916 S24 -","12","3","","Niu, Siwen; Liu, Dong; Shao, Zongze; Proksch, Peter; Lin, Wenhan","Eutypellazines A‒M, thiodiketopiperazine-type alkaloids from deep sea derived fungus Eutypella sp. MCCC 3A00281","RSC Adv.","2017","7","53","33580","","10.1039/C7RA05774A","","","1.5418","CuKα","","0.0463","0.0449","","","0.1163","0.1175","","","","","","1.073","","","","has coordinates,has disorder","198359","2020-10-21","18:00:00",""
"7228625","8.27744","0.00017","10.60684","0.0002","21.3739","0.0004","90","","90","","90","","1876.57","0.06","102.4","","102.4","","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C19 H22 N2 O6 S2 -","- C19 H22 N2 O6 S2 -","- C76 H88 N8 O24 S8 -","4","1","","Niu, Siwen; Liu, Dong; Shao, Zongze; Proksch, Peter; Lin, Wenhan","Eutypellazines A‒M, thiodiketopiperazine-type alkaloids from deep sea derived fungus Eutypella sp. MCCC 3A00281","RSC Adv.","2017","7","53","33580","","10.1039/C7RA05774A","","","1.5418","CuKα","","0.033","0.0323","","","0.082","0.0827","","","","","","1.051","","","","has coordinates","198359","2020-10-21","18:00:00",""
"7228626","7.6255","0.0004","27.2984","0.0013","9.2094","0.0005","90","","90.413","0.005","90","","1917.02","0.17","104.7","","104.7","","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C19 H22 N2 O6 S2 -","- C19 H22 N2 O6 S2 -","- C76 H88 N8 O24 S8 -","4","2","","Niu, Siwen; Liu, Dong; Shao, Zongze; Proksch, Peter; Lin, Wenhan","Eutypellazines A‒M, thiodiketopiperazine-type alkaloids from deep sea derived fungus Eutypella sp. MCCC 3A00281","RSC Adv.","2017","7","53","33580","","10.1039/C7RA05774A","","","1.5418","CuKα","","0.0484","0.0448","","","0.1097","0.1142","","","","","","1.041","","","","has coordinates","198359","2020-10-21","18:00:00",""
"7228627","9.5541","0.0009","13.1555","0.0017","15.7112","0.0006","90","","90","","90","","1974.7","0.3","101.8","","101.8","","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C19 H24 N2 O7 S2 -","- C19 H24 N2 O7 S2 -","- C76 H96 N8 O28 S8 -","4","1","","Niu, Siwen; Liu, Dong; Shao, Zongze; Proksch, Peter; Lin, Wenhan","Eutypellazines A‒M, thiodiketopiperazine-type alkaloids from deep sea derived fungus Eutypella sp. MCCC 3A00281","RSC Adv.","2017","7","53","33580","","10.1039/C7RA05774A","","","1.5418","CuKα","","0.03","0.0293","","","0.0765","0.0772","","","","","","1.08","","","","has coordinates","198359","2020-10-21","18:00:00",""
"7228630","29.018","0.003","15.7877","0.0017","19.16","0.002","90","","107.517","0.001","90","","8370.7","1.5","293","2","293","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C58 H48 N4 O25 Zn5 -","- C58 H48 N4 O25 Zn5 -","- C232 H192 N16 O100 Zn20 -","4","0.5","","Liu, Jian-Qiang; Kumar, Abhinav; SINGH, AMITA; Jin, Jun-Cheng; Deng, Fang-Yuan; Wu, Xiren; Luo, Zhidong","Luminescent sensing and photocatalytic degradation properties of an uncommon (4,5,5)-connected 3D MOF based on 3,5-di(3′, 5′-dicarboxylphenyl)benzoic acid: an experimental and computational study","CrystEngComm","2017","","","","","10.1039/C7CE01012E","","","0.71073","MoKα","","0.1435","0.089","","","0.2316","0.2574","","","","","","1.445","","","","has coordinates,has disorder","198445","2020-10-21","18:00:00",""
"7228631","24.267","0.003","16.0881","0.0019","12.0926","0.0015","90","","115.822","0.003","90","","4249.7","0.9","298","2","298","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C44 H32 Cl2 Cu2 N6 O12 -","- C44 H32 Cl2 Cu2 N6 O12 -","- C176 H128 Cl8 Cu8 N24 O48 -","4","0.5","","Valdes-Martinez, Jesus; Martínez-Vargas, Sergio; Dorazco-Gonzalez, Alejandro; Barquera-Lozada, Jose Enrique; Ortega, Simon Hernandez; Toscano, Ruben Alfredo","Interaction Between Aromatic Rings as Organizing Tools and Semicoordination in Cu(II) Compounds.","CrystEngComm","2017","","","","","10.1039/C7CE00871F","","","0.71073","MoKα","","0.1485","0.0884","","","0.1795","0.2077","","","","","","1.016","","","","has coordinates,has disorder","198446","2020-10-21","18:00:00",""
"7228632","12.7752","0.0008","24.8336","0.0015","13.2397","0.0008","90","","113.343","0.001","90","","3856.5","0.4","291","2","291","2","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C38 H22 Cl2 Cu2 F4 N6 O12 -","- C38 H22 Cl2 Cu2 F4 N6 O12 -","- C152 H88 Cl8 Cu8 F16 N24 O48 -","4","1","","Valdes-Martinez, Jesus; Martínez-Vargas, Sergio; Dorazco-Gonzalez, Alejandro; Barquera-Lozada, Jose Enrique; Ortega, Simon Hernandez; Toscano, Ruben Alfredo","Interaction Between Aromatic Rings as Organizing Tools and Semicoordination in Cu(II) Compounds.","CrystEngComm","2017","","","","","10.1039/C7CE00871F","","","0.71073","MoKα","","0.069","0.0402","","","0.0696","0.0749","","","","","","0.817","","","","has coordinates,has disorder","198446","2020-10-21","18:00:00",""
"7228633","9.685","0.001","10.557","0.001","12.396","0.001","107.106","0.002","100.958","0.002","96.022","0.002","1171.67","0.19","298","2","298","2","","","","","","","","6","P -1","-P 1","2","","","","- C46 H34 Cu2 F8 N6 O14 -","- C46 H34 Cu2 F8 N6 O14 -","- C46 H34 Cu2 F8 N6 O14 -","1","0.5","","Valdes-Martinez, Jesus; Martínez-Vargas, Sergio; Dorazco-Gonzalez, Alejandro; Barquera-Lozada, Jose Enrique; Ortega, Simon Hernandez; Toscano, Ruben Alfredo","Interaction Between Aromatic Rings as Organizing Tools and Semicoordination in Cu(II) Compounds.","CrystEngComm","2017","","","","","10.1039/C7CE00871F","","","0.71073","MoKα","","0.0522","0.0409","","","0.0899","0.0936","","","","","","0.951","","","","has coordinates,has disorder","198446","2020-10-21","18:00:00",""
"7228634","11.6722","0.0004","34.0516","0.0016","14.1145","0.0006","90","","91.962","0.003","90","","5606.6","0.4","140","2","140","1","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C43 H80 Mo6 N4 O18 -","- C43 H80 Mo6 N4 O18 -","- C172 H320 Mo24 N16 O72 -","4","1","","El Moll, Hani; Black, Fiona A.; Wood, Christopher J.; Al-Yasari, Ahmed; Marri, Anil Reddy; Sazanovich, Igor V.; Gibson, Elizabeth; Fielden, John","Increasing p-type Dye Sensitised Solar Cell Photovoltages using Polyoxometalates","Phys. Chem. Chem. Phys.","2017","","","","","10.1039/C7CP01558E","","x-ray","0.71073","MoKα","","0.0799","0.0428","","","0.0715","0.0789","","","","","","1.016","","","","has coordinates","198454","2020-10-21","18:00:00",""
"7228639","8.7021","0.0004","9.1183","0.0006","9.2356","0.0005","97.006","0.005","95.727","0.004","100.012","0.005","710.77","0.07","223","2","293","2","","","","","","","","7","P 1","P 1","1","","","","- C12 H18 F12 Mg N2 O12 S4 -","- C12 H18 F12 Mg N2 O12 S4 -","- C12 H18 F12 Mg N2 O12 S4 -","1","1","","Tsuzuki, Seiji; MANDAI, Toshihiko; Suzuki, Soma; Shinoda, Wataru; Nakamura, Takenobu; Morishita, Tetsuya; Ueno, Kazuhide; Seki, Shiro; Umebayashi, Yasuhiro; Dokko, Kaoru; Watanabe, Masayoshi","Effect of the cation on the stability of cation-glyme complexes and their interactions with the [TFSA]- anion","Phys. Chem. Chem. Phys.","2017","","","","","10.1039/C7CP02779F","","x-ray","0.71073","MoKα","","0.0573","0.0473","","","0.1163","0.1294","","","","","","0.891","","","","has coordinates","198503","2020-10-21","18:00:00",""
"7228640","10.6304","0.0004","10.6493","0.0005","16.3294","0.0008","90","","104.655","0.005","90","","1788.45","0.14","100","","100","","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C46 H38 Cl2 O6 -","- C46 H38 Cl2 O6 -","- C92 H76 Cl4 O12 -","2","1","","Buffeteau, Thierry; Pitrat, Delphine; Daugey, Nicolas; Calin, Nathalie; Jean, Marion; Vanthuyne, Nicolas; Ducasse, Laurent; Wien, Frank; Brotin, Thierry","Chiroptical properties of cryptophane-111","Phys. Chem. Chem. Phys.","2017","","","","","10.1039/C7CP02045G","","","1.54184","CuKα","","0.0534","0.0476","","","0.1224","0.1303","","","","","","1.038","","","","has coordinates","198504","2020-10-21","18:00:00",""
"7228641","10.5518","0.0005","10.7827","0.0005","32.7161","0.0013","90","","90","","90","","3722.3","0.3","80","","80","","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C50 H41 N O6 -","- C50 H41 N O6 -","- C200 H164 N4 O24 -","4","1","","Buffeteau, Thierry; Pitrat, Delphine; Daugey, Nicolas; Calin, Nathalie; Jean, Marion; Vanthuyne, Nicolas; Ducasse, Laurent; Wien, Frank; Brotin, Thierry","Chiroptical properties of cryptophane-111","Phys. Chem. Chem. Phys.","2017","","","","","10.1039/C7CP02045G","","","1.54184","CuKα","","0.059","0.0526","","","0.1197","0.1269","","","","","","1.069","","","","has coordinates","198504","2020-10-21","18:00:00",""
"7228642","8.764","0.0005","10.666","0.0005","15.4487","0.0009","74.316","0.005","82.742","0.005","82.883","0.004","1373.09","0.13","293","2","293","2","","","","","","","","6","P -1","-P 1","2","","","","- C29 H25 Cl2 N7 O S -","- C29 H25 Cl2 N7 O S -","- C58 H50 Cl4 N14 O2 S2 -","2","1","","Yang, Lan; Bao, Xiao-Ping","Synthesis of novel 1,2,4-triazole derivatives containing the quinazolinylpiperidinyl moiety and N-(substituted phenyl)acetamide group as efficient bactericides against the phytopathogenic bacterium Xanthomonas oryzae pv. oryzae","RSC Adv.","2017","7","54","34005","","10.1039/C7RA04819J","","","0.71073","MoKα","","0.0694","0.0447","","","0.0991","0.1112","","","","","","1.035","","","","has coordinates","198506","2020-10-21","18:00:00",""
"7228643","16.3388","0.0019","11.4902","0.001","8.9282","0.0008","90","","98.731","0.009","90","","1656.7","0.3","298","2","298","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C19 H14 F3 N3 -","- C19 H14 F3 N3 -","- C76 H56 F12 N12 -","4","1","","Kumar, Robin; Thirupathi, Natesan","Syntheses, characterisation, and catalytic role of (η5-C5Me5)Rh(iii) guanidinato complexes in transfer hydrogenation (TH) and TH‒etherification","RSC Adv.","2017","7","54","33890","","10.1039/C7RA04152G","","","0.71073","MoKα","","0.1245","0.0958","","","0.2595","0.282","","","","","","1.098","","","","has coordinates","198507","2020-10-21","18:00:00",""
"7228644","12.93","0.005","24.943","0.005","12.939","0.005","90","0.005","107.458","0.005","90","0.005","3981","2","298","2","298","2","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C36 H29 Cl F18 N3 O Rh -","- C36 H29 Cl F18 N3 O Rh -","- C144 H116 Cl4 F72 N12 O4 Rh4 -","4","1","","Kumar, Robin; Thirupathi, Natesan","Syntheses, characterisation, and catalytic role of (η5-C5Me5)Rh(iii) guanidinato complexes in transfer hydrogenation (TH) and TH‒etherification","RSC Adv.","2017","7","54","33890","","10.1039/C7RA04152G","","","0.71073","MoKα","","0.0652","0.054","","","0.137","0.1448","","","","","","1.034","","","","has coordinates","198507","2020-10-21","18:00:00",""
"7228645","8.205","0.0003","26.4106","0.0009","15.137","0.0006","90","","98.241","0.004","90","","3246.3","0.2","298","2","298","2","","","","","","","","6","C 1 c 1","C -2yc","9","","","","- C32 H28 Cl F9 N3 Rh -","- C32 H28 Cl F9 N3 Rh -","- C128 H112 Cl4 F36 N12 Rh4 -","4","1","","Kumar, Robin; Thirupathi, Natesan","Syntheses, characterisation, and catalytic role of (η5-C5Me5)Rh(iii) guanidinato complexes in transfer hydrogenation (TH) and TH‒etherification","RSC Adv.","2017","7","54","33890","","10.1039/C7RA04152G","","","0.71073","MoKα","","0.0383","0.0352","","","0.0934","0.0957","","","","","","1.028","","","","has coordinates","198507","2020-10-21","18:00:00",""
"7228646","8.556","0.004","13.968","0.006","15.438","0.007","88.234","0.012","82.724","0.016","86.156","0.014","1825.6","1.4","150","2","150","2","","","","","","","","7","P -1","-P 1","2","","","","- C31 H31 Cl3 F6 N4 Rh Sb -","- C31 H31 Cl3 F6 N4 Rh Sb -","- C62 H62 Cl6 F12 N8 Rh2 Sb2 -","2","1","","Kumar, Robin; Thirupathi, Natesan","Syntheses, characterisation, and catalytic role of (η5-C5Me5)Rh(iii) guanidinato complexes in transfer hydrogenation (TH) and TH‒etherification","RSC Adv.","2017","7","54","33890","","10.1039/C7RA04152G","","","0.71073","MoKα","","0.0904","0.0828","","","0.2107","0.2189","","","","","","1.072","","","","has coordinates,has disorder","198507","2020-10-21","18:00:00",""
"7228647","9.8151","0.0004","15.3776","0.0007","21.161","0.0008","96.403","0.003","90.056","0.003","92.318","0.003","3171.3","0.2","298","2","298","2","","","","","","","","6","P -1","-P 1","2","","","","- C32 H28 Cl F9 N3 Rh -","- C32 H28 Cl F9 N3 Rh -","- C128 H112 Cl4 F36 N12 Rh4 -","4","2","","Kumar, Robin; Thirupathi, Natesan","Syntheses, characterisation, and catalytic role of (η5-C5Me5)Rh(iii) guanidinato complexes in transfer hydrogenation (TH) and TH‒etherification","RSC Adv.","2017","7","54","33890","","10.1039/C7RA04152G","","","0.71073","MoKα","","0.1132","0.0855","","","0.2062","0.223","","","","","","1.097","","","","has coordinates","198507","2020-10-21","18:00:00",""
"7228648","8.8697","0.0004","13.3962","0.0006","16.587","0.002","94.899","0.008","103.171","0.008","97.543","0.004","1888.8","0.3","293","2","293","2","","","","","","","","6","P -1","-P 1","2","","","","- C35 H25 Cl F18 Ir N3 -","- C35 H25 Cl F18 Ir N3 -","- C70 H50 Cl2 F36 Ir2 N6 -","2","1","","Kumar, Robin; Thirupathi, Natesan","Syntheses, characterisation, and catalytic role of (η5-C5Me5)Rh(iii) guanidinato complexes in transfer hydrogenation (TH) and TH‒etherification","RSC Adv.","2017","7","54","33890","","10.1039/C7RA04152G","","","0.71073","MoKα","","0.0402","0.0365","","","0.0966","0.0992","","","","","","1.059","","","","has coordinates","198507","2020-10-21","18:00:00",""
"7228649","12.0199","0.0005","8.545","0.0003","26.4401","0.0012","90","","101.963","0.004","90","","2656.68","0.19","298","2","298","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C29 H27 Cl F3 N3 Rh -","- C29 H27 Cl F3 N3 Rh -","- C116 H108 Cl4 F12 N12 Rh4 -","4","1","","Kumar, Robin; Thirupathi, Natesan","Syntheses, characterisation, and catalytic role of (η5-C5Me5)Rh(iii) guanidinato complexes in transfer hydrogenation (TH) and TH‒etherification","RSC Adv.","2017","7","54","33890","","10.1039/C7RA04152G","","","0.71073","MoKα","","0.0384","0.0345","","","0.0919","0.0951","","","","","","0.836","","","","has coordinates","198507","2020-10-21","18:00:00",""
"7228650","8.4625","0.0005","23.7259","0.0013","15.4211","0.001","90","","105.977","0.006","90","","2976.7","0.3","298","2","298","2","","","","","","","","5","C 1 c 1","C -2yc","9","","","","- C29 H28 Cl4 N3 Rh -","- C29 H28 Cl4 N3 Rh -","- C116 H112 Cl16 N12 Rh4 -","4","1","","Kumar, Robin; Thirupathi, Natesan","Syntheses, characterisation, and catalytic role of (η5-C5Me5)Rh(iii) guanidinato complexes in transfer hydrogenation (TH) and TH‒etherification","RSC Adv.","2017","7","54","33890","","10.1039/C7RA04152G","","","0.71073","MoKα","","0.0353","0.0327","","","0.0833","0.0855","","","","","","1.056","","","","has coordinates","198507","2020-10-21","18:00:00",""
"7228651","14.867","0.005","7.952","0.005","24.503","0.005","90","0.005","105.243","0.005","90","0.005","2795","2","298","2","298","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C29 H27 Cl4 N3 Rh -","- C29 H27 Cl4 N3 Rh -","- C116 H108 Cl16 N12 Rh4 -","4","1","","Kumar, Robin; Thirupathi, Natesan","Syntheses, characterisation, and catalytic role of (η5-C5Me5)Rh(iii) guanidinato complexes in transfer hydrogenation (TH) and TH‒etherification","RSC Adv.","2017","7","54","33890","","10.1039/C7RA04152G","","","0.71073","MoKα","","0.064","0.0558","","","0.1289","0.1339","","","","","","1.024","","","","has coordinates","198507","2020-10-21","18:00:00",""
"7228652","11.728","0.006","36.452","0.017","9.417","0.005","90","","90","","90","","4026","4","298","2","298","2","","","","","","","","4","P c c n","-P 2ab 2ac","56","","","","- C19 H14 Cl3 N3 -","- C19 H14 Cl3 N3 -","- C152 H112 Cl24 N24 -","8","1","","Kumar, Robin; Thirupathi, Natesan","Syntheses, characterisation, and catalytic role of (η5-C5Me5)Rh(iii) guanidinato complexes in transfer hydrogenation (TH) and TH‒etherification","RSC Adv.","2017","7","54","33890","","10.1039/C7RA04152G","","","0.71073","MoKα","","0.1807","0.1017","","","0.2944","0.3607","","","","","","1.125","","","","has coordinates","198507","2020-10-21","18:00:00",""
"7228653","8.4946","0.0005","15.3253","0.0006","20.2015","0.0009","90.466","0.004","94.236","0.004","90.481","0.004","2622.5","0.2","298","2","298","2","","","","","","","","4","P -1","-P 1","2","","","","- C25 H11 F18 N3 -","- C25 H11 F18 N3 -","- C100 H44 F72 N12 -","4","2","","Kumar, Robin; Thirupathi, Natesan","Syntheses, characterisation, and catalytic role of (η5-C5Me5)Rh(iii) guanidinato complexes in transfer hydrogenation (TH) and TH‒etherification","RSC Adv.","2017","7","54","33890","","10.1039/C7RA04152G","","","0.71073","MoKα","","0.1211","0.0903","","","0.2199","0.2425","","","","","","1.03","","","","has coordinates","198507","2020-10-21","18:00:00",""
"7228654","7.7705","0.0005","21.1114","0.0015","29.069","0.002","90","","90","","90","","4768.7","0.6","100","2","100","2","","","","","","","","6","P c a b","-P 2bc 2ac","61","","","","- C13 H34 Br3 N O8 Pb -","- C13 H34 Br3 N O8 Pb -","- C104 H272 Br24 N8 O64 Pb8 -","8","1","","Kollek, Tom; Polarz, Sebastian","Facet-Controlled Preparation of Hybrid Perovskite Microcrystals in the Gas Phase and the Remarkable Effect on Optoelectronic Properties","CrystEngComm","2017","","","","","10.1039/C7CE00839B","","","0.71073","MoKα","","0.0659","0.0475","","","0.1213","0.134","","","","","","1.014","","","","has coordinates","198565","2020-10-21","18:00:00",""
"7228655","23.508","0.005","5.978","0.0012","25.257","0.005","90","","99.95","0.03","90","","3496","1.3","293","2","293","2","","","","","","","","5","I 1 2/a 1","-I 2ya","15","","","","- C32 H22 Cu3 N8 O10 -","- C32 H22 Cu3 N8 O10 -","- C128 H88 Cu12 N32 O40 -","4","0.5","","li, bao; Mao, Nannan; hu, peng; Yu, Fan; Chen, Xi; Zhuang, Gui-lin; Zhang, Tianle","A series of transitional metal coordination polymers based on a rigid bi-functional carboxylate-triazolate tecton","CrystEngComm","2017","","","","","10.1039/C7CE00808B","","","0.71073","MoKα","","0.0378","0.036","","","0.1009","0.1029","","","","","","1.05","","","","has coordinates","198566","2020-10-21","18:00:00",""
"7228656","7.483","0.0015","14.109","0.003","17.972","0.004","90","","90","","90","","1897.4","0.7","293","2","293","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C19 H17 Mn N5 O5 -","- C19 H17 Mn N5 O5 -","- C76 H68 Mn4 N20 O20 -","4","1","","li, bao; Mao, Nannan; hu, peng; Yu, Fan; Chen, Xi; Zhuang, Gui-lin; Zhang, Tianle","A series of transitional metal coordination polymers based on a rigid bi-functional carboxylate-triazolate tecton","CrystEngComm","2017","","","","","10.1039/C7CE00808B","","","0.71073","MoKα","","0.0453","0.0453","","","0.1229","0.1229","","","","","","1.074","","","","has coordinates","198566","2020-10-21","18:00:00",""
"7228657","22.5432","0.0016","7.6652","0.0004","22.7737","0.0011","90","","102.378","0.006","90","","3843.8","0.4","293","2","293","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C38 H34 N10 O10 Zn2 -","- C38 H34 N10 O10 Zn2 -","- C152 H136 N40 O40 Zn8 -","4","1","","li, bao; Mao, Nannan; hu, peng; Yu, Fan; Chen, Xi; Zhuang, Gui-lin; Zhang, Tianle","A series of transitional metal coordination polymers based on a rigid bi-functional carboxylate-triazolate tecton","CrystEngComm","2017","","","","","10.1039/C7CE00808B","","x-ray","0.71073","MoKα","","0.0688","0.0533","","","0.1164","0.1297","","","","","","1.159","","","","has coordinates","198566","2020-10-21","18:00:00",""
"7228658","8.227","0.0006","21.5096","0.0009","23.8825","0.0011","90","","90","","90","","4226.2","0.4","293","2","293","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C20 H21 N5 O6 Zn -","- C20 H21 N5 O6 Zn -","- C160 H168 N40 O48 Zn8 -","8","1","","li, bao; Mao, Nannan; hu, peng; Yu, Fan; Chen, Xi; Zhuang, Gui-lin; Zhang, Tianle","A series of transitional metal coordination polymers based on a rigid bi-functional carboxylate-triazolate tecton","CrystEngComm","2017","","","","","10.1039/C7CE00808B","","x-ray","0.71073","MoKα","","0.0435","0.035","","","0.0808","0.0871","","","","","","1.056","","","","has coordinates","198566","2020-10-21","18:00:00",""
"7228659","7.585","0.0015","14.052","0.003","18.237","0.004","90","","90","","90","","1943.8","0.7","293","2","293","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C16 H10 Cd N4 O4 -","- C16 H10 Cd N4 O4 -","- C64 H40 Cd4 N16 O16 -","4","1","","li, bao; Mao, Nannan; hu, peng; Yu, Fan; Chen, Xi; Zhuang, Gui-lin; Zhang, Tianle","A series of transitional metal coordination polymers based on a rigid bi-functional carboxylate-triazolate tecton","CrystEngComm","2017","","","","","10.1039/C7CE00808B","","","0.71073","MoKα","","0.0515","0.0511","","","0.1468","0.1485","","","","","","1.095","","","","has coordinates","198566","2020-10-21","18:00:00",""
"7228660","8.8008","0.001","10.319","0.002","11.1239","0.001","90","","96.59","0.01","90","","1003.5","0.2","294","2","294","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C6 H10 I N2 O S -","- C6 H10 I N2 O S -","- C24 H40 I4 N8 O4 S4 -","4","1","","Lippolis, Vito; Aragoni, Maria Carla; Arca, Massimiliano; Isaia, Francesco; Demartin, Francesco; Bauza, Antonio; Frontera, Antonio; Montis, Riccardo","Hydrogen- and halogen-bond cooperativity in determining the crystal packing of dihalogen Charge-Transfer adducts: a study case from heterocyclic pentatomic chalcogenone donors","CrystEngComm","2017","","","","","10.1039/C7CE01035D","","","0.71073","MoKα","","0.0252","0.0192","","","0.0503","0.0523","","","","","","1.06","","","","has coordinates","198567","2020-10-21","18:00:00",""
"7228661","7.786","0.003","8.719","0.004","9.403","0.004","62.62","0.04","89.52","0.04","66.88","0.04","509.6","0.5","294","2","294","2","","","","","","","","7","P -1","-P 1","2","","","","- C5 H8 Br I N2 O S -","- C5 H8 Br I N2 O S -","- C10 H16 Br2 I2 N4 O2 S2 -","2","1","","Lippolis, Vito; Aragoni, Maria Carla; Arca, Massimiliano; Isaia, Francesco; Demartin, Francesco; Bauza, Antonio; Frontera, Antonio; Montis, Riccardo","Hydrogen- and halogen-bond cooperativity in determining the crystal packing of dihalogen Charge-Transfer adducts: a study case from heterocyclic pentatomic chalcogenone donors","CrystEngComm","2017","","","","","10.1039/C7CE01035D","","","0.71073","MoKα","","0.05","0.0307","","","0.115","0.1864","","","","","","1.323","","","","has coordinates","198567","2020-10-21","18:00:00",""
"7228662","7.9","0.002","11.379","0.003","12.977","0.005","90","","95.6","0.03","90","","1161","0.6","294","2","294","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C6 H10 I2 N2 O S -","- C6 H10 I2 N2 O S -","- C24 H40 I8 N8 O4 S4 -","4","1","","Lippolis, Vito; Aragoni, Maria Carla; Arca, Massimiliano; Isaia, Francesco; Demartin, Francesco; Bauza, Antonio; Frontera, Antonio; Montis, Riccardo","Hydrogen- and halogen-bond cooperativity in determining the crystal packing of dihalogen Charge-Transfer adducts: a study case from heterocyclic pentatomic chalcogenone donors","CrystEngComm","2017","","","","","10.1039/C7CE01035D","","","0.71073","MoKα","","0.0383","0.0258","","","0.0683","0.0721","","","","","","1.103","","","","has coordinates","198567","2020-10-21","18:00:00",""
"7228663","12.3804","0.0005","25.0918","0.0008","15.6377","0.0005","90","","110.287","0.002","90","","4556.5","0.3","296","2","296","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C45 H36 N2 O10 S3 -","- C45 H36 N2 O10 S3 -","- C180 H144 N8 O40 S12 -","4","1","","Purohit, Chandra Shekhar; Illa, Giri teja; Hazra, Sohan; Satha, Pardhasaradhi","Hydrogen Bonded Molecular Capsule: Probing Role of Water Molecules for Capsule Formation in a Modified Cyclotricatechylene","CrystEngComm","2017","","","","","10.1039/C7CE01075C","","","0.71073","MoKα","","0.1003","0.072","","","0.2274","0.248","","","","","","1.097","","","","has coordinates,has disorder","198568","2020-10-21","18:00:00",""
"7228664","16.8196","0.0007","14.4225","0.0005","17.2295","0.0008","90","","99.568","0.003","90","","4121.4","0.3","296","2","296","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C42.6 H52.8 N2 O10.52 S1.8 -","- C42.6 H52.8 N2 O10.521 S1.8 -","- C170.4 H211.2 N8 O42.084 S7.2 -","4","1","","Purohit, Chandra Shekhar; Illa, Giri teja; Hazra, Sohan; Satha, Pardhasaradhi","Hydrogen Bonded Molecular Capsule: Probing Role of Water Molecules for Capsule Formation in a Modified Cyclotricatechylene","CrystEngComm","2017","","","","","10.1039/C7CE01075C","","","0.71073","MoKα","","0.1042","0.0736","","","0.2154","0.2409","","","","","","1.045","","","","has coordinates","198568","2020-10-21","18:00:00",""
"7228665","20.6307","0.0007","20.0351","0.0008","12.2542","0.0004","90","","90","","90","","5065.1","0.3","296","2","296","2","","","","","","","","4","P n a 21","P 2c -2n","33","","","","- C48 H45 N3 O6 -","- C48 H45 N3 O6 -","- C192 H180 N12 O24 -","4","1","","Purohit, Chandra Shekhar; Illa, Giri teja; Hazra, Sohan; Satha, Pardhasaradhi","Hydrogen Bonded Molecular Capsule: Probing Role of Water Molecules for Capsule Formation in a Modified Cyclotricatechylene","CrystEngComm","2017","","","","","10.1039/C7CE01075C","","","0.71073","MoKα","","0.101","0.0494","","","0.0875","0.0962","","","","","","0.975","","","","has coordinates","198568","2020-10-21","18:00:00",""
"7228666","9.8504","0.0001","7.4915","0.0002","31.4272","0.0008","90","","90","","90","","2319.15","0.09","90","0.2","90","0.2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C13 H10 Cl N O2 -","- C13 H10 Cl N O2 -","- C104 H80 Cl8 N8 O16 -","8","1","","Liu, Meng; Yin, Chuming; Chen, Peng; Zhang, Mingtao; Parkin, Sean R.; Zhou, Panpan; Li, Tonglei; Yu, Faquan; Long, Sihui","sp2CH…Cl Hydrogen Bond in the Conformational Polymorphism of 4-Chloro-phenylanthranilic acid","CrystEngComm","2017","","","","","10.1039/C7CE00772H","","","0.71073","MoKα","","0.119","0.0531","","","0.1269","0.1573","","","","","","0.988","","","","has coordinates","198569","2020-10-21","18:00:00",""
"7228667","8.2249","0.0002","10.1269","0.0003","13.7993","0.0004","88.2266","0.0011","85.954","0.0011","81.4168","0.0011","1133.43","0.05","90","0.2","90","0.2","","","","","","","","5","P -1","-P 1","2","","","","- C13 H10 Cl N O2 -","- C13 H10 Cl N O2 -","- C52 H40 Cl4 N4 O8 -","4","2","","Liu, Meng; Yin, Chuming; Chen, Peng; Zhang, Mingtao; Parkin, Sean R.; Zhou, Panpan; Li, Tonglei; Yu, Faquan; Long, Sihui","sp2CH…Cl Hydrogen Bond in the Conformational Polymorphism of 4-Chloro-phenylanthranilic acid","CrystEngComm","2017","","","","","10.1039/C7CE00772H","","","0.71073","MoKα","","0.0908","0.0433","","","0.0853","0.0993","","","","","","0.986","","","","has coordinates","198569","2020-10-21","18:00:00",""
"7228668","9.9015","0.0002","10.7701","0.0002","11.3935","0.0002","90.2523","0.0008","103.899","0.0008","102.716","0.0008","1148.4","0.04","90","0.2","90","0.2","","","","","","","","5","P -1","-P 1","2","","","","- C13 H10 Cl N O2 -","- C13 H10 Cl N O2 -","- C52 H40 Cl4 N4 O8 -","4","2","","Liu, Meng; Yin, Chuming; Chen, Peng; Zhang, Mingtao; Parkin, Sean R.; Zhou, Panpan; Li, Tonglei; Yu, Faquan; Long, Sihui","sp2CH…Cl Hydrogen Bond in the Conformational Polymorphism of 4-Chloro-phenylanthranilic acid","CrystEngComm","2017","","","","","10.1039/C7CE00772H","","","0.71073","MoKα","","0.0668","0.0402","","","0.1015","0.1148","","","","","","1.051","","","","has coordinates","198569","2020-10-21","18:00:00",""
"7228669","16.8213","0.0016","41.992","0.004","49.548","0.004","90","","90","","90","","34999","5","150","2","150","2","","","","","","","","5","F d d d","-F 2uv 2vw","70","","","","- C60 H48 Cd3 N2 O22 -","- C60 H48 Cd3 N2 O22 -","- C960 H768 Cd48 N32 O352 -","16","","","Peng, Hai-Jun; Hao, Gui-Xia; Chu, Zhao-Hua; Lin, Yin-Wan; Lin, Xiao-Ming; Cai, Yue-Peng","Porous carbon with large surface area derived from a metal‒organic framework as a lithium-ion battery anode material","RSC Adv.","2017","7","54","34104","","10.1039/C7RA05090A","","","1.54178","CuKα","","0.0762","0.0648","","","0.1889","0.2023","","","","","","1.092","","","","has coordinates","198580","2020-10-21","18:00:00",""
"7228670","5.1034","0.0011","18.336","0.005","20.348","0.005","90","","95.3","0.02","90","","1895.9","0.8","293","2","293","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C18 H24 N6 O4 -","- C18 H24 N6 O4 -","- C72 H96 N24 O16 -","4","1","","Rai, U. S.; Singh, Manjeet; Rai, R. N.","Remarkable dielectric properties of 1 : 2 inter-molecular compound of 2-(4-(dimethylamino) benzylideneamino) benzoic acid and urea due to excited-state intramolecular proton transfer","RSC Adv.","2017","7","55","34382","","10.1039/C7RA03067C","","","0.71073","MoKα","","0.1428","0.0816","","","0.2077","0.2596","","","","","","1.03","","","","has coordinates","198581","2020-10-21","18:00:00",""
"7228671","8.6807","0.0003","10.7996","0.0003","15.8435","0.0006","90","","90","","90","","1485.3","0.09","223","2","223","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C16 H13 F N2 O3 S -","- C16 H13 F N2 O3 S -","- C64 H52 F4 N8 O12 S4 -","4","1","","Lee, Sang Gyu; Kim, Sung-Gon","An asymmetric Brønsted acid-catalyzed Friedel‒Crafts reaction of indoles with cyclic N-sulfimines","RSC Adv.","2017","7","54","34283","","10.1039/C7RA06244C","","","0.71073","MoKα","","0.0423","0.0334","","","0.0805","0.0849","","","","","","1.092","","","","has coordinates","198622","2020-10-21","18:00:00",""
"7228675","8.659","0.0002","8.659","0.0002","13.705","0.0004","90","","90","","120","","889.91","0.04","200","2","200","2","","","","","","","","4","P 32 2 1","P 32 2""","154","","","","- C5 H7 Cd0.5 N2 -","- C5 H7 Cd0.5 N2 -","- C30 H42 Cd3 N12 -","6","1","","Liu, Zhanning; Liu, Chenxi; Li, Qiang; Chen, Jun; Xing, Xianran","Spring-like Motion Caused Large Anisotropic Thermal Expansion in Nonporous M(eim)2 (M=Zn, Cd)","Phys. Chem. Chem. Phys.","2017","","","","","10.1039/C7CP03937A","","","1.54178","CuKα","","0.0256","0.0256","","","0.0689","0.0689","","","","","","1.208","","","","has coordinates","198666","2020-10-21","18:00:00",""
"7228676","8.6335","0.0001","8.6335","0.0001","13.7402","0.0002","90","","90","","120","","886.947","0.019","150","2","150","2","","","","","","","","4","P 32 2 1","P 32 2""","154","","","","- C5 H7 Cd0.5 N2 -","- C5 H7 Cd0.5 N2 -","- C30 H42 Cd3 N12 -","6","1","","Liu, Zhanning; Liu, Chenxi; Li, Qiang; Chen, Jun; Xing, Xianran","Spring-like Motion Caused Large Anisotropic Thermal Expansion in Nonporous M(eim)2 (M=Zn, Cd)","Phys. Chem. Chem. Phys.","2017","","","","","10.1039/C7CP03937A","","","1.54178","CuKα","","0.0279","0.0279","","","0.0744","0.0744","","","","","","1.233","","","","has coordinates","198666","2020-10-21","18:00:00",""
"7228677","8.7286","0.0001","8.7286","0.0001","13.6174","0.0003","90","","90","","120","","898.49","0.02","300","2","300","2","","","","","","","","4","P 32 2 1","P 32 2""","154","","","","- C5 H7 Cd0.5 N2 -","- C5 H7 Cd0.5 N2 -","- C30 H42 Cd3 N12 -","6","1","","Liu, Zhanning; Liu, Chenxi; Li, Qiang; Chen, Jun; Xing, Xianran","Spring-like Motion Caused Large Anisotropic Thermal Expansion in Nonporous M(eim)2 (M=Zn, Cd)","Phys. Chem. Chem. Phys.","2017","","","","","10.1039/C7CP03937A","","","1.54178","CuKα","","0.0312","0.031","","","0.0782","0.0784","","","","","","1.195","","","","has coordinates","198666","2020-10-21","18:00:00",""
"7228678","8.6948","0.0001","8.6948","0.0001","13.6675","0.0003","90","","90","","120","","894.83","0.02","250","2","250","2","","","","","","","","4","P 32 2 1","P 32 2""","154","","","","- C5 H7 Cd0.5 N2 -","- C5 H7 Cd0.5 N2 -","- C30 H42 Cd3 N12 -","6","1","","Liu, Zhanning; Liu, Chenxi; Li, Qiang; Chen, Jun; Xing, Xianran","Spring-like Motion Caused Large Anisotropic Thermal Expansion in Nonporous M(eim)2 (M=Zn, Cd)","Phys. Chem. Chem. Phys.","2017","","","","","10.1039/C7CP03937A","","","1.54178","CuKα","","0.0342","0.034","","","0.0851","0.0854","","","","","","1.201","","","","has coordinates","198666","2020-10-21","18:00:00",""
"7228679","7.3536","0.0004","15.72","0.001","13.263","0.0007","90","","97.68","0.004","90","","1519.43","0.15","295","2","295","","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","2-(Diethylamino)-6-phenylpyridine-3,4-dicarbonitrile","","- C17 H16 N4 -","- C17 H16 N4 -","- C68 H64 N16 -","4","1","","Ershov, O. V.; Ievlev, M. Yu.; Belikov, M. Yu.; Naidenova, A. I.; Maksimova, V. N.; Tafeenko, V. A.","Synthesis, solution and solid-state fluorescence of 2-diethylaminocinchomeronic dinitrile derivatives","RSC Adv.","2017","7","55","34886","","10.1039/C7RA06217F","","","1.54186","CuKα","","0.1597","0.0422","","","0.0726","0.0967","","","","","","0.655","","","","has coordinates","198717","2020-10-21","18:00:00",""
"7228680","9.5477","0.0002","7.8499","0.0002","21.8199","0.0007","90","","102.249","0.003","90","","1598.14","0.08","295","2","295","","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","2-(Diethylamino)-5-methyl-6-phenylpyridine-3,4-dicarbonitrile","","- C18 H18 N4 -","- C18 H18 N4 -","- C72 H72 N16 -","4","1","","Ershov, O. V.; Ievlev, M. Yu.; Belikov, M. Yu.; Naidenova, A. I.; Maksimova, V. N.; Tafeenko, V. A.","Synthesis, solution and solid-state fluorescence of 2-diethylaminocinchomeronic dinitrile derivatives","RSC Adv.","2017","7","55","34886","","10.1039/C7RA06217F","","","1.54186","CuKα","","0.0821","0.059","","","0.1513","0.1643","","","","","","0.929","","","","has coordinates","198717","2020-10-21","18:00:00",""
"7228681","15.5322","0.0008","15.6186","0.0008","15.7678","0.0008","90","","111.743","0.004","90","","3553","0.3","295","2","295","","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","2-(Diethylamino)-6-(3,4-dimethoxyphenyl)pyridine-3,4-dicarbonitrile","","- C19 H20 N4 O2 -","- C19 H20 N4 O2 -","- C152 H160 N32 O16 -","8","2","","Ershov, O. V.; Ievlev, M. Yu.; Belikov, M. Yu.; Naidenova, A. I.; Maksimova, V. N.; Tafeenko, V. A.","Synthesis, solution and solid-state fluorescence of 2-diethylaminocinchomeronic dinitrile derivatives","RSC Adv.","2017","7","55","34886","","10.1039/C7RA06217F","","","1.54186","CuKα","","0.1254","0.0826","","","0.214","0.2413","","","","","","0.909","","","","has coordinates","198717","2020-10-21","18:00:00",""
"7228682","4.9799","0.0003","14.1541","0.0007","22.8964","0.0012","90","","92.652","0.002","90","","1612.15","0.15","295","2","295","","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","2-(Diethylamino)-5,6,7,8,9,10-hexahydrocycloocta[b] pyridine-3,4-dicarbonitrile","","- C17 H22 N4 -","- C17 H22 N4 -","- C68 H88 N16 -","4","1","","Ershov, O. V.; Ievlev, M. Yu.; Belikov, M. Yu.; Naidenova, A. I.; Maksimova, V. N.; Tafeenko, V. A.","Synthesis, solution and solid-state fluorescence of 2-diethylaminocinchomeronic dinitrile derivatives","RSC Adv.","2017","7","55","34886","","10.1039/C7RA06217F","","","1.54186","CuKα","","0.1289","0.0957","","","0.2673","0.2923","","","","","","1.019","","","","has coordinates","198717","2020-10-21","18:00:00",""
"7228683","7.873","0.0004","9.2372","0.0005","9.961","0.0005","72.004","0.005","76.996","0.004","76.16","0.004","659.95","0.06","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C13 H14 N O4 Zn -","- C13 H14 N O4 Zn -","- C26 H28 N2 O8 Zn2 -","2","1","","Liu, Jie; Li, Pei-Xin; Zeng, Hui-Yi; Guo, Guo-Cong","Two new photochromic coordination compounds with nonphotochromic ligands and different metal centers","RSC Adv.","2017","7","55","34901","","10.1039/C7RA05352E","","","0.71073","MoKα","","0.0494","0.0434","","","0.1148","0.1167","","","","","","1.021","","","","has coordinates","198718","2020-10-21","18:00:00",""
"7228684","7.766","0.0003","11.3054","0.0005","19.0411","0.0007","99.745","0.003","91.795","0.003","91.783","0.003","1645.71","0.12","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C31 H36 N3 O10 Zn2 -","- C31 H36 N3 O10 Zn2 -","- C62 H72 N6 O20 Zn4 -","2","1","","Liu, Jie; Li, Pei-Xin; Zeng, Hui-Yi; Guo, Guo-Cong","Two new photochromic coordination compounds with nonphotochromic ligands and different metal centers","RSC Adv.","2017","7","55","34901","","10.1039/C7RA05352E","","","0.71073","MoKα","","0.0438","0.0361","","","0.1779","0.1832","","","","","","1.033","","","","has coordinates","198718","2020-10-21","18:00:00",""
"7228685","8.6672","0.0005","24.3174","0.0015","10.4133","0.0006","90","","108.696","0.001","90","","2078.9","0.2","296","2","296","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C16 H24 Cu O11 -","- C16 H24 Cu O11 -","- C64 H96 Cu4 O44 -","4","1","","Portolés-Gil, Núria; Parra-Aliana, Ricard; Alvarez, Angel; Domingo, Concepcion; Ayllon, Jose Antonio; Lopez-Periago, Ana M","Bottom-up approach for the preparation of hybrid nanosheets based on coordination polymers made of metal-diethyloxaloacetates complexes linked by 4,4’-bipyridine.","CrystEngComm","2017","","","","","10.1039/C7CE00909G","","","0.71073","MoKα","","0.0848","0.0492","","","0.1242","0.1414","","","","","","1.024","","","","has coordinates,has disorder","211179","2020-10-21","18:00:00",""
"7228686","11.6167","0.0006","11.6167","0.0006","27.984","0.0014","90","","90","","90","","3776.4","0.3","296","2","296","2","","","","","","","","5","P -4 21 c","P -4 2n","114","","","","- C34 H50 Co N2 O11 -","- C34 H50 Co N2 O11 -","- C136 H200 Co4 N8 O44 -","4","0.5","","Portolés-Gil, Núria; Parra-Aliana, Ricard; Alvarez, Angel; Domingo, Concepcion; Ayllon, Jose Antonio; Lopez-Periago, Ana M","Bottom-up approach for the preparation of hybrid nanosheets based on coordination polymers made of metal-diethyloxaloacetates complexes linked by 4,4’-bipyridine.","CrystEngComm","2017","","","","","10.1039/C7CE00909G","","","0.71073","MoKα","","0.0828","0.0439","","","0.0892","0.1014","","","","","","1.033","","","","has coordinates,has disorder","211179","2020-10-21","18:00:00",""
"7228687","34.9049","0.0014","14.9409","0.0006","34.5319","0.0014","90","","107.565","0.0008","90","","17169.1","1.2","100","","100","","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C64.56 H48.48 I6 N12 Zn3 -","- C64.574 H48.492 I6 N12 Zn3 -","- C516.592 H387.936 I48 N96 Zn24 -","8","1","","Ramadhar, Timothy R.; Zheng, Shao-Liang; Chen, Yu-Sheng; Clardy, Jon","The Crystalline Sponge Method: A Solvent-Based Strategy to Facilitate Noncovalent Ordered Trapping of Solid and Liquid Organic Compounds","CrystEngComm","2017","","","","","10.1039/C7CE00885F","","x-ray","0.41328","synchrotron","","0.0586","0.0524","","","0.1735","0.1811","","","","","","1.029","","","","has coordinates,has disorder","198736","2020-10-21","18:00:00",""
"7228688","14.9223","0.0008","18.9078","0.0011","32.591","0.0018","102.728","0.001","91.7744","0.001","110.796","0.0009","8324.8","0.8","100","","100","","","","","","","","","6","P -1","-P 1","2","","","","- C88.57 H64.57 I12 N24 O6.21 Zn6 -","- C88.568 H64.568 I12 N24 O6.213 Zn6 -","- C177.136 H129.136 I24 N48 O12.426 Zn12 -","2","1","","Ramadhar, Timothy R.; Zheng, Shao-Liang; Chen, Yu-Sheng; Clardy, Jon","The Crystalline Sponge Method: A Solvent-Based Strategy to Facilitate Noncovalent Ordered Trapping of Solid and Liquid Organic Compounds","CrystEngComm","2017","","","","","10.1039/C7CE00885F","","x-ray","0.41328","synchrotron","","0.0842","0.0718","","","0.2339","0.2452","","","","","","1.06","","","","has coordinates,has disorder","198736","2020-10-21","18:00:00",""
"7228689","35.2912","0.0017","14.8832","0.0007","30.9415","0.0015","90","","101.827","0.001","90","","15906.9","1.3","100","2","100","","","","","","","","","7","C 1 2/c 1","-C 2yc","15","","","","- C44.03 H34.79 F1.99 I6 N13.99 O0.68 Zn3 -","- C44.031 H34.788 F1.989 I6 N13.989 O0.678 Zn3 -","- C352.248 H278.304 F15.912 I48 N111.912 O5.424 Zn24 -","8","1","","Ramadhar, Timothy R.; Zheng, Shao-Liang; Chen, Yu-Sheng; Clardy, Jon","The Crystalline Sponge Method: A Solvent-Based Strategy to Facilitate Noncovalent Ordered Trapping of Solid and Liquid Organic Compounds","CrystEngComm","2017","","","","","10.1039/C7CE00885F","","","0.41328","synchrotron","","0.0747","0.0576","","","0.2032","0.2271","","","","","","1.158","","","","has coordinates,has disorder","198736","2020-10-21","18:00:00",""
"7228690","35.252","0.002","14.8612","0.0008","35.233","0.002","90","","108.117","0.0011","90","","17543.1","1.7","100","","100","","","","","","","","","6","C 1 2 1","C 2y","5","","","","- C89.08 H75.94 I12 N24 O5.28 Zn6 -","- C89.065 H75.922 I12 N24 O5.275 Zn6 -","- C356.26 H303.688 I48 N96 O21.1 Zn24 -","4","1","","Ramadhar, Timothy R.; Zheng, Shao-Liang; Chen, Yu-Sheng; Clardy, Jon","The Crystalline Sponge Method: A Solvent-Based Strategy to Facilitate Noncovalent Ordered Trapping of Solid and Liquid Organic Compounds","CrystEngComm","2017","","","","","10.1039/C7CE00885F","","x-ray","0.41328","synchrotron","","0.082","0.07","","","0.2199","0.2336","","","","","","1.073","","","","has coordinates,has disorder","198736","2020-10-21","18:00:00",""
"7228691","32.664","0.007","11.254","0.002","30.378","0.006","90","","111.76","0.03","90","","10371","4","173","2","173","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C90 H136 Dy6 N6 O44 -","- C90 H132 Dy6 N6 O42 -","- C360 H528 Dy24 N24 O168 -","4","0.5","","li, bao; hu, peng; yin, lei; Mao, Nannan; Yu, Fan; Wang, Zhenxing; Zhang, Tianle","A series of six-member lanthanide-rings based on 2,2-bis(hydroxymethyl)-2,2’,2’’-nitrilotriethanol : synthesis, crystal structures and magnetic properties","CrystEngComm","2017","","","","","10.1039/C7CE01063J","","","0.71073","MoKα","","0.061","0.0559","","","0.1662","0.1722","","","","","","1.076","","","","has coordinates","198771","2020-10-21","18:00:00",""
"7228692","26.742","0.004","26.742","0.004","78.391","0.016","90","","90","","120","","48549","14","293","2","293","2","","","","","","","","5","R -3","-R 3","148","","","","- C97 H144 N6 O44 Tb6 -","- C90 H132 N6 O42 Tb6 -","- C1620 H2376 N108 O756 Tb108 -","18","","","li, bao; hu, peng; yin, lei; Mao, Nannan; Yu, Fan; Wang, Zhenxing; Zhang, Tianle","A series of six-member lanthanide-rings based on 2,2-bis(hydroxymethyl)-2,2’,2’’-nitrilotriethanol : synthesis, crystal structures and magnetic properties","CrystEngComm","2017","","","","","10.1039/C7CE01063J","","","0.71073","MoKα","","0.0414","0.0341","","","0.0876","0.0911","","","","","","1.05","","","","has coordinates","198771","2020-10-21","18:00:00",""
"7228693","26.842","0.004","26.842","0.004","78.271","0.016","90","","90","","120","","48838","14","293","2","293","2","","","","","","","","5","R -3","-R 3","148","","","","- C97 H144 Gd6 N6 O44 -","- C90 H132 Gd6 N6 O42 -","- C1620 H2376 Gd108 N108 O756 -","18","","","li, bao; hu, peng; yin, lei; Mao, Nannan; Yu, Fan; Wang, Zhenxing; Zhang, Tianle","A series of six-member lanthanide-rings based on 2,2-bis(hydroxymethyl)-2,2’,2’’-nitrilotriethanol : synthesis, crystal structures and magnetic properties","CrystEngComm","2017","","","","","10.1039/C7CE01063J","","","0.71073","MoKα","","0.0299","0.0283","","","0.0764","0.0775","","","","","","1.013","","","","has coordinates","198771","2020-10-21","18:00:00",""
"7228694","8.5601","0.0009","14.9864","0.0013","23.2722","0.0018","90","","90","","90","","2985.5","0.5","293","2","293","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C32 H43 N O7 -","- C32 H43 N O7 -","- C128 H172 N4 O28 -","4","1","","Liu, Mengyujie; Lu, Chunhua; Tang, Ruocong; Li, Shanren; Wang, Haoxin; Shen, Yuemao","Neoansamycins from Streptomyces sp. LZ35","RSC Adv.","2017","7","56","35460","","10.1039/C7RA06339C","","","1.54178","CuKα","","0.1577","0.0778","","","0.1356","0.1854","","","","","","1.003","","","","has coordinates,has disorder","198781","2020-10-21","18:00:00",""
"7228695","15.083","0.004","15.371","0.004","16.395","0.004","66.767","0.003","81.148","0.004","80.089","0.004","3425.1","1.5","173","2","173","2","","","","","","","","5","P -1","-P 1","2","","","","- C71 H78 N6 O13 S4 -","- C71 H78 N6 O13 S4 -","- C142 H156 N12 O26 S8 -","2","1","","Lv, Xue-Xin; Wang, Qian; Zhang, Li-Jing; Liu, Ling-Ling; Zhao, Mei; Guo, Dian-Shun","Synthesis, crystal structure and remote allosteric binding properties of cone thiacalix[4]pseudocrown receptors bearing anthraquinone function and different arms","RSC Adv.","2017","7","56","35528","","10.1039/C7RA06083A","","","0.71073","MoKα","","0.1098","0.0652","","","0.1525","0.1796","","","","","","1.022","","","","has coordinates,has disorder","198782","2020-10-21","18:00:00",""
"7228696","7.152","0.0007","8.1484","0.0006","20.7756","0.0009","90.232","0.005","98.462","0.006","113.488","0.009","1095.71","0.16","105","8","105","8","","","","","","","","5","P -1","-P 1","2","","","","- C11 H10 Br0 N O -","- C5.8 H13.6 Br0.8 N0.8 O1.4 -","- C29 H68 Br4 N4 O7 -","5","2.5","","Blesic, Marijana; Gilmore, Brendan F.; Holbrey, John D.; Jacquemin, Johan; Level, Gaelle; Nockemann, Peter; Stella, Lorenzo","An introduction to zwitterionic salts","Green Chem.","2017","","","","","10.1039/C7GC01523B","","x-ray","1.54184","CuKα","","0.0955","0.0907","","","0.3108","0.3187","","","","","","1.44","","","","has coordinates","198818","2020-10-21","18:00:00",""
"7228697","24.0379","0.0003","8.6157","0.0001","16.3926","0.0002","90","","99.7","0.001","90","","3346.43","0.07","293","2","293","2","","","","","","","","7","C 1 2/c 1","-C 2yc","15","","","","- C H Br0 Cl0.02 N O S0.02 -","- C1.41935 H3.85677 Br0.129032 N0.258065 O0.597355 S0.129032 -","- C88 H239.12 Br8 N16 O37.036 S8 -","62","7.75","","Blesic, Marijana; Gilmore, Brendan F.; Holbrey, John D.; Jacquemin, Johan; Level, Gaelle; Nockemann, Peter; Stella, Lorenzo","An introduction to zwitterionic salts","Green Chem.","2017","","","","","10.1039/C7GC01523B","","","1.54184","CuKα","","0.0326","0.0326","","","0.0809","0.0809","","","","","","1.182","","","","has coordinates","198818","2020-10-21","18:00:00",""
"7228698","19.182","0.002","18.751","0.002","18.722","0.002","90","","113.614","0.0018","90","","6170.1","1.1","296","2","296.15","","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C34 H30 Br4 Co3 N4 O14 -","- C34 H30 Br4 Co3 N4 O14 -","- C136 H120 Br16 Co12 N16 O56 -","4","1","","Li, Xiao-Yan; Chen, Le; Gao, Lei; Zhang, Yang; Akogun, Sunday Folaranmi; Dong, Wen-Kui","Syntheses, crystal structures and catalytic activities of two solvent-induced homotrinuclear Co(ii) complexes with a naphthalenediol-based bis(Salamo)-type tetraoxime ligand","RSC Adv.","2017","7","57","35905","","10.1039/C7RA06796H","","","0.71073","MoKα","","0.0794","0.0511","","","0.1399","0.1496","","","","","","1.028","","","","has coordinates,has disorder","198824","2020-10-21","18:00:00",""
"7228699","14.5421","0.001","14.8347","0.0013","17.3221","0.0018","113.715","0.009","90.013","0.007","108.037","0.007","3219.6","0.6","293","2","293","2","","","","","","","","7","P -1","-P 1","2","","","","- C38 H36 Br4 Cl6 Co3 N4 O14 -","- C38 H36 Br4 Cl6 Co3 N4 O14 -","- C76 H72 Br8 Cl12 Co6 N8 O28 -","2","1","","Li, Xiao-Yan; Chen, Le; Gao, Lei; Zhang, Yang; Akogun, Sunday Folaranmi; Dong, Wen-Kui","Syntheses, crystal structures and catalytic activities of two solvent-induced homotrinuclear Co(ii) complexes with a naphthalenediol-based bis(Salamo)-type tetraoxime ligand","RSC Adv.","2017","7","57","35905","","10.1039/C7RA06796H","","","0.71073","MoKα","","0.1289","0.0721","","","0.1693","0.1997","","","","","","0.913","","","","has coordinates","198824","2020-10-21","18:00:00",""
"7228700","14.3596","0.0006","10.8125","0.0006","24.7814","0.0011","90","","104.824","0.004","90","","3719.6","0.3","287.56","0.1","287.56","0.1","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C43 H35 Cl2 N O6 -","- C43 H35 Cl2 N O6 -","- C172 H140 Cl8 N4 O24 -","4","1","","Zhang, Ying; Feng, Yao-Qin; Wang, Jun-Hao; Han, Gaoyi; Li, Miao-Yu; Xiao, Yaoming; Feng, Zhen-Dong","Moiety effect on the luminescent property of star-shaped triphenylamine (TPA) derivatives as mechanochromic materials","RSC Adv.","2017","7","57","35672","","10.1039/C7RA03123H","","x-ray","0.71073","MoKα","","0.1086","0.0796","","","0.2769","0.3178","","","","","","1.001","","","","has coordinates","198826","2020-10-21","18:00:00",""
"7228701","24.1447","0.0005","13.0986","0.0003","16.033","0.0004","90","","97.903","0.002","90","","5022.5","0.2","293","2","293","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C27 H17 Co N6 O4.5 -","- C27 H17 Co N6 O4.5 -","- C216 H136 Co8 N48 O36 -","8","1","","Zhang, Jian-Yong; Shi, Jun-Xia; Cui, Peng-Hui; Yao, Zi-Jian; Deng, Wei","Structural Diversity and Catalytic Properties of Five Co2(COO)4 Cluster Based Coordination Polymers Modified by R-isophthalic acid (R=H, NO2, CH3, OH and tBu)","CrystEngComm","2017","","","","","10.1039/C7CE01100H","","","1.54178","CuKα","","0.0714","0.0535","","","0.1378","0.148","","","","","","1.056","","","","has coordinates","198870","2020-10-21","18:00:00",""
"7228702","15.3687","0.0018","12.8671","0.0016","24.517","0.003","90","","98.481","0.002","90","","4795.2","1","173","2","173","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C26 H17 Co N6 O4.5 -","- C26 H17 Co N6 O4.5 -","- C208 H136 Co8 N48 O36 -","8","1","","Zhang, Jian-Yong; Shi, Jun-Xia; Cui, Peng-Hui; Yao, Zi-Jian; Deng, Wei","Structural Diversity and Catalytic Properties of Five Co2(COO)4 Cluster Based Coordination Polymers Modified by R-isophthalic acid (R=H, NO2, CH3, OH and tBu)","CrystEngComm","2017","","","","","10.1039/C7CE01100H","","","0.71073","MoKα","","0.0638","0.0376","","","0.0915","0.1135","","","","","","1.034","","","","has coordinates","198870","2020-10-21","18:00:00",""
"7228703","28.6922","0.0014","13.6439","0.0006","14.4273","0.0007","90","","112.028","0.005","90","","5235.6","0.5","293","2","293","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C26 H17 Co N7 O7 -","- C26 H17 Co N7 O7 -","- C208 H136 Co8 N56 O56 -","8","1","","Zhang, Jian-Yong; Shi, Jun-Xia; Cui, Peng-Hui; Yao, Zi-Jian; Deng, Wei","Structural Diversity and Catalytic Properties of Five Co2(COO)4 Cluster Based Coordination Polymers Modified by R-isophthalic acid (R=H, NO2, CH3, OH and tBu)","CrystEngComm","2017","","","","","10.1039/C7CE01100H","","","1.54178","CuKα","","0.0549","0.0409","","","0.1081","0.123","","","","","","1.058","","","","has coordinates","198870","2020-10-21","18:00:00",""
"7228704","24.418","0.003","13.0005","0.0015","15.5741","0.0018","90","","99.982","0.001","90","","4869.1","1","296","2","296","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C26 H17 Co N6 O5.5 -","- C26 H15 Co N6 O5.5 -","- C208 H120 Co8 N48 O44 -","8","1","","Zhang, Jian-Yong; Shi, Jun-Xia; Cui, Peng-Hui; Yao, Zi-Jian; Deng, Wei","Structural Diversity and Catalytic Properties of Five Co2(COO)4 Cluster Based Coordination Polymers Modified by R-isophthalic acid (R=H, NO2, CH3, OH and tBu)","CrystEngComm","2017","","","","","10.1039/C7CE01100H","","","0.71073","MoKα","","0.1115","0.0614","","","0.1424","0.1778","","","","","","0.972","","","","has coordinates","198870","2020-10-21","18:00:00",""
"7228705","26.7166","0.0008","26.7166","0.0008","21.7748","0.0013","90","","90","","120","","13460.1","1","293","2","293","2","","","","","","","","5","R -3 :H","-R 3","148","","","","- C26 H27 Co N4 O6 -","- C26 H25 Co N4 O6 -","- C468 H450 Co18 N72 O108 -","18","1","","Zhang, Jian-Yong; Shi, Jun-Xia; Cui, Peng-Hui; Yao, Zi-Jian; Deng, Wei","Structural Diversity and Catalytic Properties of Five Co2(COO)4 Cluster Based Coordination Polymers Modified by R-isophthalic acid (R=H, NO2, CH3, OH and tBu)","CrystEngComm","2017","","","","","10.1039/C7CE01100H","","","0.71073","MoKα","","0.076","0.0491","","","0.1457","0.1732","","","","","","1.17","","","","has coordinates","198870","2020-10-21","18:00:00",""
"7228706","8.5875","0.0008","10.3508","0.0008","10.6762","0.0008","67.884","0.007","86.63","0.007","68.351","0.008","813.6","0.13","100","2","100","2","","","","","","","","4","P -1","-P 1","2","","","","- C30 H38 N6 O8 -","- C30 H38 N6 O8 -","- C30 H38 N6 O8 -","1","0.5","","Macedi, Eleonora; Meli, Alessandra; De Riccardis, Francesco; Rossi, Patrizia; smith, vincent; Barbour, Len; Izzo, Irene; Tedesco, Consiglia","Molecular recognition and solvatomorphism in a cyclic peptoid. Formation of a stable 1D porous framework.","CrystEngComm","2017","","","","","10.1039/C7CE01077J","","","0.71073","MoKα","","0.087","0.0492","","","0.0971","0.1099","","","","","","1.02","","","","has coordinates","198871","2020-10-21","18:00:00",""
"7228707","8.5007","0.0014","10.3965","0.0011","10.9102","0.0017","67.863","0.011","84.552","0.015","71.048","0.013","844.3","0.2","100","2","100.15","","","","","","","","","4","P -1","-P 1","2","","","","- C32 H46 N6 O10 -","- C32 H46 N6 O10 -","- C32 H46 N6 O10 -","1","0.5","","Macedi, Eleonora; Meli, Alessandra; De Riccardis, Francesco; Rossi, Patrizia; smith, vincent; Barbour, Len; Izzo, Irene; Tedesco, Consiglia","Molecular recognition and solvatomorphism in a cyclic peptoid. Formation of a stable 1D porous framework.","CrystEngComm","2017","","","","","10.1039/C7CE01077J","","","0.71073","MoKα","","0.1283","0.07","","","0.1597","0.1966","","","","","","0.993","","","","has coordinates","198871","2020-10-21","18:00:00",""
"7228708","8.814","0.003","9.0944","0.0018","10.982","0.004","78.86","0.02","87.55","0.03","66.35","0.02","790.6","0.4","296","2","296","2","","","","","","","","4","P -1","-P 1","2","","","","- C30 H38 N6 O8 -","- C30 H38 N6 O8 -","- C30 H38 N6 O8 -","1","0.5","","Macedi, Eleonora; Meli, Alessandra; De Riccardis, Francesco; Rossi, Patrizia; smith, vincent; Barbour, Len; Izzo, Irene; Tedesco, Consiglia","Molecular recognition and solvatomorphism in a cyclic peptoid. Formation of a stable 1D porous framework.","CrystEngComm","2017","","","","","10.1039/C7CE01077J","","","0.71073","MoKα","","0.1766","0.0762","","","0.188","0.2567","","","","","","0.986","","","","has coordinates","198871","2020-10-21","18:00:00",""
"7228709","8.5852","0.0015","10.4929","0.0017","10.556","0.002","68.11","0.009","86.318","0.01","67.035","0.009","808.7","0.3","100","2","100.15","","","","","","","","","4","P -1","-P 1","2","","","","- C30 H40.32 N6 O9.16 -","- C30 H40.32 N6 O9.16 -","- C30 H40.32 N6 O9.16 -","1","0.5","","Macedi, Eleonora; Meli, Alessandra; De Riccardis, Francesco; Rossi, Patrizia; smith, vincent; Barbour, Len; Izzo, Irene; Tedesco, Consiglia","Molecular recognition and solvatomorphism in a cyclic peptoid. Formation of a stable 1D porous framework.","CrystEngComm","2017","","","","","10.1039/C7CE01077J","","","0.71073","MoKα","","0.1183","0.0582","","","0.1328","0.156","","","","","","0.925","","","","has coordinates","198871","2020-10-21","18:00:00",""
"7228710","10.0489","0.0009","10.2562","0.0009","12.5596","0.0011","90","","103.397","0.001","90","","1259.21","0.19","100","2","100","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C4 H16 Co N2 O10 S -","- C4 H16 Co N2 O10 S -","- C16 H64 Co4 N8 O40 S4 -","4","1","","Mu, Rong; Xu, Guan-Cheng; Zhang, Ying-Ying; Zhang, Li; Jia, Dianzeng","Switchable dielectric phase transition originating from disorder-order transformation and distortion in {[(C4H4N2)Co(H2O)4]SO4•2H2O}n","CrystEngComm","2017","","","","","10.1039/C7CE01096F","","","0.71073","MoKα","","0.0246","0.021","","","0.0545","0.0574","","","","","","1.022","","","","has coordinates","198872","2020-10-21","18:00:00",""
"7228711","10.0656","0.0013","10.2656","0.0014","12.628","0.0017","90","","104.151","0.002","90","","1265.2","0.3","296","2","296","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C4 H16 Co N2 O10 S -","- C4 H16 Co N2 O10 S -","- C16 H64 Co4 N8 O40 S4 -","4","0.5","","Mu, Rong; Xu, Guan-Cheng; Zhang, Ying-Ying; Zhang, Li; Jia, Dianzeng","Switchable dielectric phase transition originating from disorder-order transformation and distortion in {[(C4H4N2)Co(H2O)4]SO4•2H2O}n","CrystEngComm","2017","","","","","10.1039/C7CE01096F","","","0.71073","MoKα","","0.0386","0.0366","","","0.1061","0.1079","","","","","","1.097","","","","has coordinates,has disorder","198872","2020-10-21","18:00:00",""
"7228712","6.8674","0.0003","13.0958","0.0006","22.6828","0.0011","90","","90","","90","","2039.96","0.16","293","2","293","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C22 H20 O4 S2 -","- C22 H20 O4 S2 -","- C88 H80 O16 S8 -","4","1","","Dai, Chenshu; Wang, Junqi; Deng, Siqi; Zhou, Candong; Zhang, Wenhe; Zhu, Qiuhua; Tang, Xiaodong","Acid-mediated sulfonylation of arylethynylene bromides with sodium arylsulfinates: synthesis of (E)-1,2-bis(arylsulfonyl)ethylenes and arylacetylenic sulfones","RSC Adv.","2017","7","57","36112","","10.1039/C7RA07105A","","","1.54184","CuKα","","0.0329","0.0326","","","0.0878","0.088","","","","","","1.089","","","","has coordinates","198883","2020-10-21","18:00:00",""
"7228713","8.009","0.005","8.714","0.005","29.961","0.005","90","","94.39","","90","","2084.9","1.8","100","2","100","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C23 H17 Cu N5 O6 -","- C23 H17 Cu N5 O6 -","- C92 H68 Cu4 N20 O24 -","4","1","","Usman, Mohammad; Zaki, Mehvash; Khan, Rais Ahmad; Alsalme, Ali; Ahmad, Musheer; Tabassum, Sartaj","Coumarin centered copper(ii) complex with appended-imidazole as cancer chemotherapeutic agents against lung cancer: molecular insight via DFT-based vibrational analysis","RSC Adv.","2017","7","57","36056","","10.1039/C7RA05874H","","","0.71073","MoKα","","0.0497","0.0386","","","0.0972","0.103","","","","","","1.066","","","","has coordinates","198884","2020-10-21","18:00:00",""
"7228714","11.409","0.004","7.015","0.002","17.742","0.006","90","","102.483","0.003","90","","1386.4","0.8","150","2","150","2","","","","","","","","6","P 1 21/m 1","-P 2yb","11","","","","- C7 H6 As Cl4 Ga S2 -","- C7 H6 As Cl4 Ga S2 -","- C28 H24 As4 Cl16 Ga4 S8 -","4","1","","Tran, Thao Thi-Phuong; Ould, Darren; Wilkins, Lewis; Wright, Dominic S.; Melen, Rebecca; Rawson, Jeremy Michael","Supramolecular Aggregation in Dithia-arsoles: Chlorides, Cations and N-centered Paddlewheels","CrystEngComm","2017","","","","","10.1039/C7CE01117B","","","0.71073","MoKα","","0.0248","0.0218","","","0.0531","0.0547","","","","","","1.071","","","","has coordinates","198906","2020-10-21","18:00:00",""
"7228715","9.224","0.0002","9.6289","0.0003","10.8161","0.0003","81.12","0.002","76.281","0.002","84.486","0.002","920.29","0.04","180","2","180","2","","","","","","","","5","P -1","-P 1","2","","","","- C7 H6 As Cl S2 -","- C7 H6 As Cl S2 -","- C28 H24 As4 Cl4 S8 -","4","2","","Tran, Thao Thi-Phuong; Ould, Darren; Wilkins, Lewis; Wright, Dominic S.; Melen, Rebecca; Rawson, Jeremy Michael","Supramolecular Aggregation in Dithia-arsoles: Chlorides, Cations and N-centered Paddlewheels","CrystEngComm","2017","","","","","10.1039/C7CE01117B","","","0.71069","MoKα","","0.0412","0.0311","","","0.0765","0.0804","","","","","","1.031","","","","has coordinates","198906","2020-10-21","18:00:00",""
"7228716","6.0319","0.0005","15.6876","0.0014","9.6731","0.0006","90","","90.601","0.008","90","","915.28","0.13","150","2","150","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C7 H6 As Cl S2 -","- C7 H6 As Cl S2 -","- C28 H24 As4 Cl4 S8 -","4","1","","Tran, Thao Thi-Phuong; Ould, Darren; Wilkins, Lewis; Wright, Dominic S.; Melen, Rebecca; Rawson, Jeremy Michael","Supramolecular Aggregation in Dithia-arsoles: Chlorides, Cations and N-centered Paddlewheels","CrystEngComm","2017","","","","","10.1039/C7CE01117B","","","0.71073","MoKα","","0.0212","0.0191","","","0.0467","0.0484","","","","","","1.261","","","","has coordinates","198906","2020-10-21","18:00:00",""
"7228717","11.221","0.008","11.615","0.008","11.965","0.008","76.144","0.008","67.962","0.007","87.166","0.008","1402","1.7","150","2","150","2","","","","","","","","6","P -1","-P 1","2","","","","- C22 H20 As3 Cl2 N S6 -","- C22 H20 As3 Cl2 N S6 -","- C44 H40 As6 Cl4 N2 S12 -","2","1","","Tran, Thao Thi-Phuong; Ould, Darren; Wilkins, Lewis; Wright, Dominic S.; Melen, Rebecca; Rawson, Jeremy Michael","Supramolecular Aggregation in Dithia-arsoles: Chlorides, Cations and N-centered Paddlewheels","CrystEngComm","2017","","","","","10.1039/C7CE01117B","","","0.71073","MoKα","","0.1091","0.0806","","","0.1452","0.1545","","","","","","1.203","","","","has coordinates,has disorder","198906","2020-10-21","18:00:00",""
"7228718","11.472","0.0007","7.0562","0.0005","17.819","0.002","90","","102.135","0.003","90","","1410.2","0.2","180","2","180","2","","","","","","","","6","P 1 21/m 1","-P 2yb","11","","","","- C7 H6 Al As Cl4 S2 -","- C7 H6 Al As Cl4 S2 -","- C28 H24 Al4 As4 Cl16 S8 -","4","1","","Tran, Thao Thi-Phuong; Ould, Darren; Wilkins, Lewis; Wright, Dominic S.; Melen, Rebecca; Rawson, Jeremy Michael","Supramolecular Aggregation in Dithia-arsoles: Chlorides, Cations and N-centered Paddlewheels","CrystEngComm","2017","","","","","10.1039/C7CE01117B","","","0.71073","MoKα","","0.1095","0.0879","","","0.2281","0.2366","","","","","","1.203","","","","has coordinates","198906","2020-10-21","18:00:00",""
"7228719","12.4186","0.0002","22.4845","0.0004","26.7287","0.0004","76.804","0.001","80.282","0.001","76.72","0.001","7018.4","0.2","180","2","180","2","","","","","","","","5","P -1","-P 1","2","","","","- C6 H4 As Cl S2 -","- C6 H4 As Cl S2 -","- C204 H136 As34 Cl34 S68 -","34","17","","Tran, Thao Thi-Phuong; Ould, Darren; Wilkins, Lewis; Wright, Dominic S.; Melen, Rebecca; Rawson, Jeremy Michael","Supramolecular Aggregation in Dithia-arsoles: Chlorides, Cations and N-centered Paddlewheels","CrystEngComm","2017","","","","","10.1039/C7CE01117B","","","0.7107","MoKα","","0.272","0.0778","","","0.1261","0.1884","","","","","","1.01","","","","has coordinates","198906","2020-10-21","18:00:00",""
"7228720","5.0652","0.0013","10.017","0.003","15.742","0.004","97.55","0.016","97.678","0.015","99.715","0.015","770.5","0.4","149.89","","149.89","","","","","","","","","4","P -1","-P 1","2","","","","- C13 H24 Cl N5 -","- C13 H24 Cl N5 -","- C26 H48 Cl2 N10 -","2","1","","Aldilla, Vina Rizki; Bhadbhade, Mohan; Bhattacharyya, Saroj; Kumar, Naresh; Rich, Anne M.; Marjo, Christopher","Controlling the distance between hydrogen-bonded chloro-s-triazine tapes: crystal engineering using N-alkyl chains and the influence of temperature","CrystEngComm","2017","","","","","10.1039/C7CE01049D","","","0.71073","MoKα","","0.1466","0.0645","","","0.1087","0.1416","","","","","","1.035","","","","has coordinates","198907","2020-10-21","18:00:00",""
"7228721","5.1163","0.0011","10.011","0.002","12.451","0.002","93.943","0.009","96.452","0.009","100.613","0.009","620.2","0.2","296.15","","296.15","","","","","","","","","4","P -1","-P 1","2","","","","- C9 H16 Cl N5 -","- C9 H16 Cl N5 -","- C18 H32 Cl2 N10 -","2","1","","Aldilla, Vina Rizki; Bhadbhade, Mohan; Bhattacharyya, Saroj; Kumar, Naresh; Rich, Anne M.; Marjo, Christopher","Controlling the distance between hydrogen-bonded chloro-s-triazine tapes: crystal engineering using N-alkyl chains and the influence of temperature","CrystEngComm","2017","","","","","10.1039/C7CE01049D","","","0.71073","MoKα","","0.1136","0.0754","","","0.2053","0.2418","","","","","","1.038","","","","has coordinates,has disorder","198907","2020-10-21","18:00:00",""
"7228722","5.12","0.013","10.14","0.03","17.37","0.05","91.51","0.05","93.57","0.05","101.03","0.04","883","4","299.08","","299.08","","","","","","","","","4","P -1","-P 1","2","","","","- C13 H24 Cl N5 -","- C13 H24 Cl N5 -","- C26 H48 Cl2 N10 -","2","1","","Aldilla, Vina Rizki; Bhadbhade, Mohan; Bhattacharyya, Saroj; Kumar, Naresh; Rich, Anne M.; Marjo, Christopher","Controlling the distance between hydrogen-bonded chloro-s-triazine tapes: crystal engineering using N-alkyl chains and the influence of temperature","CrystEngComm","2017","","","","","10.1039/C7CE01049D","","","0.71073","MoKα","","0.3897","0.1323","","","0.2354","0.3686","","","","","","0.994","","","","has coordinates","198907","2020-10-21","18:00:00",""
"7228723","10.28","0.004","10.351","0.003","12.987","0.004","98.3","0.02","112.37","0.02","108.27","0.03","1157.5","0.8","147.78","","147.78","","","","","","","","","4","P -1","-P 1","2","","","","- C9 H16 Cl N5 -","- C9 H16 Cl N5 -","- C36 H64 Cl4 N20 -","4","2","","Aldilla, Vina Rizki; Bhadbhade, Mohan; Bhattacharyya, Saroj; Kumar, Naresh; Rich, Anne M.; Marjo, Christopher","Controlling the distance between hydrogen-bonded chloro-s-triazine tapes: crystal engineering using N-alkyl chains and the influence of temperature","CrystEngComm","2017","","","","","10.1039/C7CE01049D","","","0.71073","MoKα","","0.1155","0.0584","","","0.14","0.1759","","","","","","0.964","","","","has coordinates","198907","2020-10-21","18:00:00",""
"7228724","5.0858","0.0006","10.0093","0.001","15.2007","0.0018","104.518","0.005","92.842","0.006","100.832","0.005","731.93","0.14","150","","150","","","","","","","","","4","P -1","-P 1","2","","","","- C11 H20 Cl N5 -","- C11 H20 Cl N5 -","- C22 H40 Cl2 N10 -","2","1","","Aldilla, Vina Rizki; Bhadbhade, Mohan; Bhattacharyya, Saroj; Kumar, Naresh; Rich, Anne M.; Marjo, Christopher","Controlling the distance between hydrogen-bonded chloro-s-triazine tapes: crystal engineering using N-alkyl chains and the influence of temperature","CrystEngComm","2017","","","","","10.1039/C7CE01049D","","","0.71073","MoKα","","0.1401","0.0678","","","0.2093","0.2561","","","","","","1.07","","","","has coordinates,has disorder","198907","2020-10-21","18:00:00",""
"7228725","5.0839","0.0011","10.0172","0.0019","15.237","0.003","104.473","0.014","92.935","0.015","100.729","0.013","734.3","0.3","149.99","","149.99","","","","","","","","","4","P -1","-P 1","2","","","","- C11 H18 Cl N5 -","- C11 H18 Cl N5 -","- C22 H36 Cl2 N10 -","2","1","","Aldilla, Vina Rizki; Bhadbhade, Mohan; Bhattacharyya, Saroj; Kumar, Naresh; Rich, Anne M.; Marjo, Christopher","Controlling the distance between hydrogen-bonded chloro-s-triazine tapes: crystal engineering using N-alkyl chains and the influence of temperature","CrystEngComm","2017","","","","","10.1039/C7CE01049D","","","0.71073","MoKα","","0.1704","0.1013","","","0.2822","0.3429","","","","","","1.058","","","","has coordinates,has disorder","198907","2020-10-21","18:00:00",""
"7228726","25.548","0.005","5","0.001","19.343","0.004","90","","115.3","0.03","90","","2233.9","1","100","","100","","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C8 H12 Cl2 N4 -","- C8 H12 Cl2 N4 -","- C64 H96 Cl16 N32 -","8","1","","Aldilla, Vina Rizki; Bhadbhade, Mohan; Bhattacharyya, Saroj; Kumar, Naresh; Rich, Anne M.; Marjo, Christopher","Controlling the distance between hydrogen-bonded chloro-s-triazine tapes: crystal engineering using N-alkyl chains and the influence of temperature","CrystEngComm","2017","","","","","10.1039/C7CE01049D","","","0.71073","MoKα","","0.0417","0.038","","","0.0937","0.0963","","","","","","1.117","","","","has coordinates","198907","2020-10-21","18:00:00",""
"7228727","5.012","0.001","11.794","0.002","17.086","0.003","86.52","0.03","84.11","0.03","82.67","0.03","995.3","0.3","100","","100","","","","","","","","","4","P -1","-P 1","2","","","","- C7 H10 Cl2 N4 -","- C7 H10 Cl2 N4 -","- C28 H40 Cl8 N16 -","4","2","","Aldilla, Vina Rizki; Bhadbhade, Mohan; Bhattacharyya, Saroj; Kumar, Naresh; Rich, Anne M.; Marjo, Christopher","Controlling the distance between hydrogen-bonded chloro-s-triazine tapes: crystal engineering using N-alkyl chains and the influence of temperature","CrystEngComm","2017","","","","","10.1039/C7CE01049D","","","0.71073","MoKα","","0.0314","0.0295","","","0.0755","0.0768","","","","","","1.08","","","","has coordinates","198907","2020-10-21","18:00:00",""
"7228728","30.4555","0.0013","30.4555","0.0013","15.9433","0.0013","90","","90","","120","","12806.8","1.3","296","2","293","2","","","","","","","","6","R 3 m :H","R 3 -2""","160","","","","- Cs12 H20 Nb9 O130 Si3 W28 -","- Cs12.0001 Nb9 O133 Si3 W28 -","- Cs36.0003 Nb27 O399 Si9 W84 -","3","0.166667","","Wang, Haiying; Hou, Lili; Li, Chen; Zhang, Dongdi; Ma, Pengtao; Wang, Jingping; Niu, Jingyang","Synthesis, structure, and photocatalytic hydrogen evolution of a trimeric Nb/W addendum cluster","RSC Adv.","2017","7","58","36416","","10.1039/C7RA06291E","","","0.71073","MoKα","","0.0543","0.0473","","","0.1173","0.1213","","","","","","1.058","","","","has coordinates,has disorder","208816","2020-10-21","18:00:00",""
"7228729","8.402","0.004","16.569","0.007","5.108","0.011","90","","90","","90","","711.1","1.6","293","","293","","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- Al4 Co2.323 H24 O40 P8 -","- Al4 Co2.324 H24 O40 P8 -","- Al4 Co2.324 H24 O40 P8 -","1","0.25","","Zaarour, Moussa; perez, olivier; Boullay, Philippe; Martens, Joern; Mihailova, Boriana D.; Karaghiosoff, Konstantin; Palatinus, Lukáš; Mintova, Svetlana","Synthesis of New Framework Cobalt Aluminophosphate by Opening Cobalt Methylphosphonate Layered Material","CrystEngComm","2017","","","","","10.1039/C7CE01129F","","x-ray","0.71073","MoKα","","0.0869","0.058","","","0.0651","0.0681","","","","1.79","1.79","1.54","","","","has coordinates","199011","2020-10-21","18:00:00",""
"7228730","11.655","0.001","11.401","0.003","20.988","0.0019","90","","104.186","0.002","90","","2703.8","0.8","100","2","100","2","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","","","- C15 H16 O5 -","- C15 H16 O5 -","- C120 H128 O40 -","8","2","","De Rosa, Margherita; La Manna, Pellegrino; Soriente, Annunziata; Gaeta, Carmine; Talotta, Carmen; Hickey, Neal; Geremia, Silvano; Neri, Placido","Supramolecular Synthons in the Gamma-Hydroxybutenolides","CrystEngComm","2017","","","","","10.1039/C7CE00953D","","x-ray","0.7","synchrotron","","0.0391","0.0384","","","0.1007","0.1015","","","","","","1.036","","","","has coordinates","199012","2020-10-21","18:00:00",""
"7228731","10.278","0.0003","10.413","0.0016","12.405","0.0011","90","","90","","90","","1327.6","0.2","100","2","100","2","","","","","","","","4","P n 21 a","P -2ac -2n","33","","","","- C15 H13 N O5 -","- C15 H13 N O5 -","- C60 H52 N4 O20 -","4","1","","De Rosa, Margherita; La Manna, Pellegrino; Soriente, Annunziata; Gaeta, Carmine; Talotta, Carmen; Hickey, Neal; Geremia, Silvano; Neri, Placido","Supramolecular Synthons in the Gamma-Hydroxybutenolides","CrystEngComm","2017","","","","","10.1039/C7CE00953D","","x-ray","0.7","synchrotron","","0.0278","0.0277","","","0.0764","0.0764","","","","","","1.056","","","","has coordinates","199012","2020-10-21","18:00:00",""
"7228732","11.426","0.0008","8.008","0.0007","13.885","0.0013","90","","103.063","0.006","90","","1237.59","0.18","100","2","100","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C12 H12 O5 S -","- C12 H12 O5 S -","- C48 H48 O20 S4 -","4","1","","De Rosa, Margherita; La Manna, Pellegrino; Soriente, Annunziata; Gaeta, Carmine; Talotta, Carmen; Hickey, Neal; Geremia, Silvano; Neri, Placido","Supramolecular Synthons in the Gamma-Hydroxybutenolides","CrystEngComm","2017","","","","","10.1039/C7CE00953D","","x-ray","0.7","synchrotron","","0.0464","0.0463","","","0.12","0.1201","","","","","","1.159","","","","has coordinates","199012","2020-10-21","18:00:00",""
"7228733","11.877","0.0012","7.988","0.0013","13.74","0.0011","90","","102.046","0.003","90","","1274.9","0.3","100","2","100","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C14 H14 O5 -","- C14 H14 O5 -","- C56 H56 O20 -","4","1","","De Rosa, Margherita; La Manna, Pellegrino; Soriente, Annunziata; Gaeta, Carmine; Talotta, Carmen; Hickey, Neal; Geremia, Silvano; Neri, Placido","Supramolecular Synthons in the Gamma-Hydroxybutenolides","CrystEngComm","2017","","","","","10.1039/C7CE00953D","","x-ray","0.7","synchrotron","","0.0432","0.0425","","","0.108","0.1088","","","","","","1.113","","","","has coordinates","199012","2020-10-21","18:00:00",""
"7228734","11.651","0.0005","11.487","0.0019","20.733","0.002","90","","104.181","0.004","90","","2690.2","0.5","100","2","100","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C14 H13 Cl O5 -","- C14 H13 Cl O5 -","- C112 H104 Cl8 O40 -","8","2","","De Rosa, Margherita; La Manna, Pellegrino; Soriente, Annunziata; Gaeta, Carmine; Talotta, Carmen; Hickey, Neal; Geremia, Silvano; Neri, Placido","Supramolecular Synthons in the Gamma-Hydroxybutenolides","CrystEngComm","2017","","","","","10.1039/C7CE00953D","","x-ray","0.7","Synchrotron","","0.0359","0.0346","","","0.091","0.0921","","","","","","1.052","","","","has coordinates","199012","2020-10-21","18:00:00",""
"7228735","33.4954","0.0018","19.3412","0.0011","35.425","0.002","90","","115.147","0.0016","90","","20775","2","120","2","120","2","","","","","","","","8","C 1 c 1","C -2yc","9","","","","- C77 H190.2 Cu5 Ge0 In30 N11 O7.1 S53 -","- Cu4.9996 In30.0004 S53 -","- Cu19.9984 In120.002 S212 -","4","1","","Wang, Hongxiang; Yang, Huajun; Wang, Wei; Xue, Chaozhuang; Zhang, Yingying; Luo, Min; Hu, Dandan; Lin, Jian; Li, Dong-Sheng; Wu, Tao","Assembly of Supertetrahedral Cluster into Cu-In-S Superlattice via Unprecedented Vertex-Edge Connection Mode","CrystEngComm","2017","","","","","10.1039/C7CE00849J","","","0.71073","MoKα","","0.1288","0.0618","","","0.1183","0.129","","","","","","1.038","","","","has coordinates,has disorder","199013","2020-10-21","18:00:00",""
"7228736","17.2928","0.0009","23.1876","0.001","7.7431","0.0004","90","","90","","90","","3104.8","0.3","100","0.1","100","0.1","","","","","","","","4","P n m a","-P 2ac 2n","62","","135TIPB-FA","","- C38 H20 F3 I3 -","- C38 H20 F3 I3 -","- C152 H80 F12 I12 -","4","0.5","","Li, Li Li; Wang, Hui; Wang, Weizhou; Jin, Wei Jun","Interactions between haloperfluorobenzenes and fluoranthene in luminescent cocrystals from π‒hole···π to σ‒hole···π bonds","CrystEngComm","2017","","","","","10.1039/C7CE00950J","","x-ray","0.71073","MoKα","","0.0568","0.043","","","0.0852","0.0929","","","","","","1.037","","","","has coordinates,has disorder","199014","2020-10-21","18:00:00",""
"7228737","17.8455","0.0008","6.2494","0.0003","19.5446","0.001","90","","108.407","0.005","90","","2068.17","0.18","100.01","0.1","100.01","0.1","","","","","","","","2","P 1 21/n 1","-P 2yn","14","","FA","","- C16 H10 -","- C16 H10 -","- C128 H80 -","8","2","","Li, Li Li; Wang, Hui; Wang, Weizhou; Jin, Wei Jun","Interactions between haloperfluorobenzenes and fluoranthene in luminescent cocrystals from π‒hole···π to σ‒hole···π bonds","CrystEngComm","2017","","","","","10.1039/C7CE00950J","","x-ray","0.71073","MoKα","","0.0625","0.0491","","","0.1101","0.1185","","","","","","1.026","","","","has coordinates","199014","2020-10-21","18:00:00",""
"7228738","9.586","0.0006","15.0356","0.0007","12.5798","0.0006","90","","105.274","0.005","90","","1749.1","0.17","100","0.1","100","0.1","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","1IPB-FA","","- C22 H10 F5 I -","- C22 H10 F5 I -","- C88 H40 F20 I4 -","4","1","","Li, Li Li; Wang, Hui; Wang, Weizhou; Jin, Wei Jun","Interactions between haloperfluorobenzenes and fluoranthene in luminescent cocrystals from π‒hole···π to σ‒hole···π bonds","CrystEngComm","2017","","","","","10.1039/C7CE00950J","","x-ray","0.71073","MoKα","","0.0589","0.0394","","","0.0718","0.0813","","","","","","1.039","","","","has coordinates","199014","2020-10-21","18:00:00",""
"7228739","8.3808","0.0006","18.0644","0.001","12.8815","0.001","90","","105.561","0.009","90","","1878.7","0.2","100.01","0.1","100.01","0.1","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","14DIPB-FA","","- C22 H10 F4 I2 -","- C22 H10 F4 I2 -","- C88 H40 F16 I8 -","4","1","","Li, Li Li; Wang, Hui; Wang, Weizhou; Jin, Wei Jun","Interactions between haloperfluorobenzenes and fluoranthene in luminescent cocrystals from π‒hole···π to σ‒hole···π bonds","CrystEngComm","2017","","","","","10.1039/C7CE00950J","","x-ray","0.71073","MoKα","","0.0406","0.0316","","","0.057","0.0617","","","","","","1.028","","","","has coordinates","199014","2020-10-21","18:00:00",""
"7228740","7.4059","0.0008","8.0966","0.0009","29.6317","0.0013","88.51","0.006","88.482","0.006","88.186","0.009","1774.7","0.3","100.01","0.1","100.01","0.1","","","","","","","","4","P -1","-P 1","2","","","","- C22 H10 Br2 F4 -","- C22 H10 Br2 F4 -","- C88 H40 Br8 F16 -","4","2","","Li, Li Li; Wang, Hui; Wang, Weizhou; Jin, Wei Jun","Interactions between haloperfluorobenzenes and fluoranthene in luminescent cocrystals from π‒hole···π to σ‒hole···π bonds","CrystEngComm","2017","","","","","10.1039/C7CE00950J","","x-ray","0.71073","MoKα","","0.1376","0.1096","","","0.3018","0.3162","","","","","","1.099","","","","has coordinates","202518","2020-10-21","18:00:00",""
"7228741","15.2963","0.0003","18.1009","0.0004","30.48","0.0005","99.2518","0.0016","90.4052","0.0015","114.42","0.002","7558.8","0.3","100","0.1","100","0.1","","","","","","","","4","P -1","-P 1","2","","","","- C22 H10 F4 I2 -","- C22 H10 F4 I2 -","- C352 H160 F64 I32 -","16","8","","Li, Li Li; Wang, Hui; Wang, Weizhou; Jin, Wei Jun","Interactions between haloperfluorobenzenes and fluoranthene in luminescent cocrystals from π‒hole···π to σ‒hole···π bonds","CrystEngComm","2017","","","","","10.1039/C7CE00950J","","x-ray","0.71073","MoKα","","0.064","0.0449","","","0.0733","0.082","","","","","","1.113","","","","has coordinates","199014","2020-10-21","18:00:00",""
"7228742","7.2059","0.0005","8.3166","0.0005","14.8296","0.0012","90.772","0.006","92.296","0.006","91.587","0.005","887.57","0.11","150","0.1","150","0.1","","","","","","","","4","P -1","-P 1","2","","14DBrPB-FA","","- C22 H10 Br2 F4 -","- C22 H10 Br2 F4 -","- C44 H20 Br4 F8 -","2","1","","Li, Li Li; Wang, Hui; Wang, Weizhou; Jin, Wei Jun","Interactions between haloperfluorobenzenes and fluoranthene in luminescent cocrystals from π‒hole···π to σ‒hole···π bonds","CrystEngComm","2017","","","","","10.1039/C7CE00950J","","x-ray","0.71073","MoKα","","0.0786","0.0489","","","0.0829","0.098","","","","","","0.985","","","","has coordinates","199014","2020-10-21","18:00:00",""
"7228743","6.8502","0.0007","8.065","0.0007","17.0969","0.0016","97.18","0.008","100.583","0.008","100.33","0.008","901.17","0.15","100","0.1","100","0.1","","","","","","","","4","P -1","-P 1","2","","13DBrPB","","- C22 H10 Br2 F4 -","- C22 H10 Br2 F4 -","- C44 H20 Br4 F8 -","2","1","","Li, Li Li; Wang, Hui; Wang, Weizhou; Jin, Wei Jun","Interactions between haloperfluorobenzenes and fluoranthene in luminescent cocrystals from π‒hole···π to σ‒hole···π bonds","CrystEngComm","2017","","","","","10.1039/C7CE00950J","","x-ray","0.71073","MoKα","","0.0808","0.0542","","","0.1092","0.1237","","","","","","1.065","","","","has coordinates","199014","2020-10-21","18:00:00",""
"7228744","7.5813","0.0006","7.9328","0.0005","28.45","0.003","90","","90","","90","","1711","0.3","100.01","0.1","100.01","0.1","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","1BrPB-FA","","- C22 H10 Br F5 -","- C22 H10 Br F5 -","- C88 H40 Br4 F20 -","4","1","","Li, Li Li; Wang, Hui; Wang, Weizhou; Jin, Wei Jun","Interactions between haloperfluorobenzenes and fluoranthene in luminescent cocrystals from π‒hole···π to σ‒hole···π bonds","CrystEngComm","2017","","","","","10.1039/C7CE00950J","","x-ray","0.71073","MoKα","","0.0656","0.0499","","","0.0979","0.1063","","","","","","1.027","","","","has coordinates","199014","2020-10-21","18:00:00",""
"7228745","7.5282","0.0002","7.8131","0.0002","28.2918","0.0009","90","","90","","90","","1664.08","0.08","100.01","0.1","100.01","0.1","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","1ClPB-FA","","- C22 H10 Cl F5 -","- C22 H10 Cl F5 -","- C88 H40 Cl4 F20 -","4","1","","Li, Li Li; Wang, Hui; Wang, Weizhou; Jin, Wei Jun","Interactions between haloperfluorobenzenes and fluoranthene in luminescent cocrystals from π‒hole···π to σ‒hole···π bonds","CrystEngComm","2017","","","","","10.1039/C7CE00950J","","x-ray","0.71073","MoKα","","0.026","0.0255","","","0.0639","0.0643","","","","","","1.11","","","","has coordinates","199014","2020-10-21","18:00:00",""
"7228746","7.6999","0.0003","8.7601","0.0003","15.1662","0.0005","102.148","0.007","95.754","0.007","110.011","0.008","923.03","0.09","93","2","93","2","","","","","","","","5","P -1","-P 1","2","Epalerstat. DMF solvate","2-[(5Z)-5-[(E)-2-methyl-3-phenylprop-2-enylidene]-4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl]","","- C18 H20 N2 O4 S2 -","- C18 H20 N2 O4 S2 -","- C36 H40 N4 O8 S4 -","2","1","","Putra, Okky Dwichandra; Umeda, Daiki; Nugraha, Yuda Prasetya; Furuishi, Takayuki; Fukuzawa, Kaori; Nagase, Hiromasa; Uekusa, Hidehiro; Yonemochi, Etsuo","Solubility improvement of epalrestat by layered structure formation via cocrystallization","CrystEngComm","2017","","","","","10.1039/C7CE00284J","","","1.54187","CuKα","","0.0386","0.0357","","","0.0945","0.097","","","","","","1.09","","","","has coordinates","199015","2020-10-21","18:00:00",""
"7228747","7.79","0.0004","8.4073","0.0004","19.8594","0.001","84.159","0.003","88.907","0.002","62.877","0.003","1151.06","0.1","173","2","173","2","","","","","","","","5","P -1","-P 1","2","","2-[(5Z)-5-[(E)-2-methyl-3-phenylprop-2-enylidene]-4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl]","","- C23 H23 N5 O5 S2 -","- C23 H23 N5 O5 S2 -","- C46 H46 N10 O10 S4 -","2","1","","Putra, Okky Dwichandra; Umeda, Daiki; Nugraha, Yuda Prasetya; Furuishi, Takayuki; Fukuzawa, Kaori; Nagase, Hiromasa; Uekusa, Hidehiro; Yonemochi, Etsuo","Solubility improvement of epalrestat by layered structure formation via cocrystallization","CrystEngComm","2017","","","","","10.1039/C7CE00284J","","","1.54186","CuKα","","0.08","0.07","","","0.2072","0.223","","","","","","1.193","","","","has coordinates,has disorder","199015","2020-10-21","18:00:00",""
"7228748","8.0773","0.0002","9.3224","0.0002","16.0729","0.0003","99.322","0.007","91.404","0.006","108.099","0.008","1131.59","0.07","93","2","93","2","","","","","","","","5","P -1","-P 1","2","epalerstat. 2 DMSO","2-[(5Z)-5-[(E)-2-methyl-3-phenylprop-2-enylidene]-4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl]a","","- C19 H25 N O5 S4 -","- C19 H25 N O5 S4 -","- C38 H50 N2 O10 S8 -","2","1","","Putra, Okky Dwichandra; Umeda, Daiki; Nugraha, Yuda Prasetya; Furuishi, Takayuki; Fukuzawa, Kaori; Nagase, Hiromasa; Uekusa, Hidehiro; Yonemochi, Etsuo","Solubility improvement of epalrestat by layered structure formation via cocrystallization","CrystEngComm","2017","","","","","10.1039/C7CE00284J","","","1.54187","CuKα","","0.0656","0.0516","","","0.1289","0.1359","","","","","","1.16","","","","has coordinates","199015","2020-10-21","18:00:00",""
"7228749","11.4558","0.0005","12.2566","0.0005","18.7593","0.0008","87.5699","0.0013","84.3897","0.0014","77.4603","0.0013","2558.22","0.19","294","2","294.07","","","","","","","","","5","P -1","-P 1","2","","","","- C63 H48 Er O7 P -","- C63 H48 Er O7 P -","- C126 H96 Er2 O14 P2 -","2","1","","Ahmed, Zubair; Aderne, Rian E.; Kai, Jiang; Resende, Jackson A. L. C.; Padilla-Chavarría, Helmut I.; Cremona, Marco","Near infrared organic light emitting devices based on a new erbium(iii) β-diketonate complex: synthesis and optoelectronic investigations","RSC Adv.","2017","7","30","18239","","10.1039/C6RA27473K","","x-ray","0.71073","MoKα","","0.0427","0.0288","","","0.0552","0.0593","","","","","","1.04","","","","has coordinates","199039","2020-10-21","18:00:00",""
"7228750","10.8478","0.0003","13.1152","0.0003","27.6434","0.0006","90","","98.886","0.002","90","","3885.65","0.16","296","2","296","2","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C36 H48 Cu4 N28 O52 Si W12 -","- C36 H24 Cu4 N28 O52 Si W12 -","- C72 H48 Cu8 N56 O104 Si2 W24 -","2","0.5","","Gong, Chunhua; Zeng, Xianghua; Xin, Li; Zhang, Junyong; Xie, Jingli","Construction of 3D metal‒organic frameworks bearing heteropolyoxometalate units and multi-azole molecules and exploration of their photocatalytic activities","RSC Adv.","2017","7","59","36860","","10.1039/C7RA05210C","","","0.71073","MoKα","","0.0903","0.0868","","","0.1857","0.187","","","","","","1.05","","","","has coordinates","199040","2020-10-21","18:00:00",""
"7228751","12.8771","0.0006","13.4775","0.0006","13.5993","0.0005","107.916","0.004","103.921","0.003","112.783","0.004","1888.45","0.19","296","2","296","2","","","","","","","","7","P -1","-P 1","2","","","","- C36 H30 Cr Cu5 Mo6 N28 O31 -","- C36 H30 Cr Cu5 Mo6 N28 O31 -","- C36 H30 Cr Cu5 Mo6 N28 O31 -","1","0.5","","Gong, Chunhua; Zeng, Xianghua; Xin, Li; Zhang, Junyong; Xie, Jingli","Construction of 3D metal‒organic frameworks bearing heteropolyoxometalate units and multi-azole molecules and exploration of their photocatalytic activities","RSC Adv.","2017","7","59","36860","","10.1039/C7RA05210C","","x-ray","0.71073","MoKα","","0.0367","0.0317","","","0.0813","0.0841","","","","","","1.06","","","","has coordinates","199040","2020-10-21","18:00:00",""
"7228752","12.4729","0.0005","7.8274","0.0003","12.5069","0.0006","90","","104.642","0.004","90","","1181.4","0.09","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C13 H9 N O5 Zn -","- C13 H9 N O5 Zn -","- C52 H36 N4 O20 Zn4 -","4","1","","Song, Jiang-Feng; Luo, Jing-Jing; Jia, Ying-Ying; Xin, Li-Dong; Lin, Zhi-Zhu; Zhou, Rui-Sha","Solvent-induced construction of two zinc supramolecular isomers: synthesis, framework flexibility, sensing properties, and adsorption of dye molecules","RSC Adv.","2017","7","58","36575","","10.1039/C7RA05049F","","","0.71073","MoKα","","0.0604","0.0382","","","0.0716","0.0826","","","","","","1.093","","","","has coordinates","199041","2020-10-21","18:00:00",""
"7228753","31.206","0.0007","31.206","0.0007","10.5025","0.0003","90","","90","","120","","8857.3","0.4","293","2","293","2","","","","","","","","5","R -3 :H","-R 3","148","","","","- C13 H9 N O5 Zn -","- C13 H9 N O5 Zn -","- C234 H162 N18 O90 Zn18 -","18","1","","Song, Jiang-Feng; Luo, Jing-Jing; Jia, Ying-Ying; Xin, Li-Dong; Lin, Zhi-Zhu; Zhou, Rui-Sha","Solvent-induced construction of two zinc supramolecular isomers: synthesis, framework flexibility, sensing properties, and adsorption of dye molecules","RSC Adv.","2017","7","58","36575","","10.1039/C7RA05049F","","","0.71073","MoKα","","0.0495","0.0361","","","0.1128","0.129","","","","","","0.862","","","","has coordinates","199041","2020-10-21","18:00:00",""
"7228754","10.348","0.0005","15.6841","0.0006","10.7299","0.0005","90","","109.506","0.005","90","","1641.5","0.14","289.48","0.1","289.48","0.1","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C26 H37 Cl N6 O9 S -","- C26 H36 Cl N5 O10 S -","- C52 H72 Cl2 N10 O20 S2 -","2","1","","Zhang, Li-Jun; Zhang, Si-Xiang; Fu, Li-Na; Li, Xiao-Yun; Guo, Qi-Xiang","Organocatalytic synthesis of enantioenriched 1,2,4-triazolines containing a chiral quaternary carbon center","RSC Adv.","2017","7","30","18714","","10.1039/C6RA28800F","","x-ray","1.54184","CuKα","","0.0391","0.0381","","","0.0971","0.0982","","","","","","1.064","","","","has coordinates","199042","2020-10-21","18:00:00",""
"7228755","13.546","","24.517","","27.817","","90","","90","","90","","9238.23","","223","2","223","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C84 H87 N2 O4 Sc -","- C84 H87 N2 O4 Sc -","- C336 H348 N8 O16 Sc4 -","4","1","","Fei, Zenghui; Zeng, Chao; Lu, Chengrong; Zhao, Bei; Yao, Yingming","An efficient asymmetric hydrophosphonylation of unsaturated amides catalyzed by rare-earth metal amides [(Me3Si)2N]3RE(μ-Cl)Li(THF)3 with phenoxy-functionalized chiral prolinols","RSC Adv.","2017","7","31","19306","","10.1039/C7RA00468K","","","0.71073","MoKα","","0.0651","0.0554","","","0.1503","0.16","","","","","","1.008","","","","has coordinates","199043","2020-10-21","18:00:00",""
"7228756","9.6958","0.0008","10.0818","0.0009","21.4683","0.0019","90","","90","","90","","2098.6","0.3","293","2","293","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C20 H26 N O4 P -","- C20 H26 N O4 P -","- C80 H104 N4 O16 P4 -","4","1","","Fei, Zenghui; Zeng, Chao; Lu, Chengrong; Zhao, Bei; Yao, Yingming","An efficient asymmetric hydrophosphonylation of unsaturated amides catalyzed by rare-earth metal amides [(Me3Si)2N]3RE(μ-Cl)Li(THF)3 with phenoxy-functionalized chiral prolinols","RSC Adv.","2017","7","31","19306","","10.1039/C7RA00468K","","","0.71073","MoKα","","0.1537","0.0599","","","0.1074","0.1356","","","","","","0.915","","","","has coordinates","199043","2020-10-21","18:00:00",""
"7228757","7.5036","0.0012","11.2036","0.0017","12.4155","0.0019","80.842","0.004","73.658","0.004","86.435","0.004","988.6","0.3","273","2","273","2","","","","","","","","3","P -1","-P 1","2","","","","- C22 H24 O6 -","- C22 H24 O6 -","- C44 H48 O12 -","2","1","","Kumar, Dileep; Das, Oindreela; Kaurav, Manvendra Singh; Khan, Tabrez","Synthetic studies en route to the first total synthesis of a naturally occurring quinone from Acorus gramineus, iso-merrilliaquinone, iso-magnoshinin and 2-epi-3,4-dihydro magnoshinin","RSC Adv.","2017","7","58","36844","","10.1039/C7RA05148D","","","0.71073","MoKα","","0.1671","0.0606","","","0.1415","0.1941","","","","","","0.916","","","","has coordinates","199340","2020-10-21","18:00:00",""
"7228758","13.504","0.003","17.675","0.003","22.376","0.007","90","","124.48","0.02","90","","4403","2","293.15","","293.15","","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C68 H50 F36 N6 O18 Tb2 -","- C68 H50 F36 N6 O18 Tb2 -","- C136 H100 F72 N12 O36 Tb4 -","2","0.5","","Zhu, Mei; Li, Yang; Jia, Lingjie; Zhang, Li; Zhang, Wei","Syntheses, crystal structures, and magnetic properties of cyclic dimer Ln2L2 complexes constructed from (3-pyridinylmethoxy)phenyl-substituted nitronyl nitroxide ligands","RSC Adv.","2017","7","59","36895","","10.1039/C7RA06310E","","","0.710747","MoKα","","0.0877","0.0719","","","","0.1925","","","","","","1.0685","","","","has coordinates,has disorder","199341","2020-10-21","18:00:00",""
"7228759","13.387","0.003","17.241","0.003","22.063","0.007","90","","124","0.02","90","","4222","2","113.15","","113.15","","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C68 H50 Er2 F36 N6 O18 -","- C68 H50 Er2 F36 N6 O18 -","- C136 H100 Er4 F72 N12 O36 -","2","0.5","","Zhu, Mei; Li, Yang; Jia, Lingjie; Zhang, Li; Zhang, Wei","Syntheses, crystal structures, and magnetic properties of cyclic dimer Ln2L2 complexes constructed from (3-pyridinylmethoxy)phenyl-substituted nitronyl nitroxide ligands","RSC Adv.","2017","7","59","36895","","10.1039/C7RA06310E","","","0.710747","MoKα","","0.067","0.0571","","","","0.1663","","","","","","1.0704","","","","has coordinates","199341","2020-10-21","18:00:00",""
"7228760","13.394","0.003","17.257","0.003","22.104","0.007","90","","124.21","0.02","90","","4225","2","113.15","","113.15","","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C68 H50 Dy2 F36 N6 O18 -","- C68 H50 Dy2 F36 N6 O18 -","- C136 H100 Dy4 F72 N12 O36 -","2","0.5","","Zhu, Mei; Li, Yang; Jia, Lingjie; Zhang, Li; Zhang, Wei","Syntheses, crystal structures, and magnetic properties of cyclic dimer Ln2L2 complexes constructed from (3-pyridinylmethoxy)phenyl-substituted nitronyl nitroxide ligands","RSC Adv.","2017","7","59","36895","","10.1039/C7RA06310E","","","0.710747","MoKα","","0.0666","0.0577","","","","0.1648","","","","","","1.0382","","","","has coordinates","199341","2020-10-21","18:00:00",""
"7228761","13.433","0.003","17.289","0.004","18.334","0.004","90","","93.07","0.03","90","","4251.8","1.7","113.15","","113.15","","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C68 H50 F36 Gd2 N6 O18 -","- C68 H50 F36 Gd2 N6 O18 -","- C136 H100 F72 Gd4 N12 O36 -","2","0.5","","Zhu, Mei; Li, Yang; Jia, Lingjie; Zhang, Li; Zhang, Wei","Syntheses, crystal structures, and magnetic properties of cyclic dimer Ln2L2 complexes constructed from (3-pyridinylmethoxy)phenyl-substituted nitronyl nitroxide ligands","RSC Adv.","2017","7","59","36895","","10.1039/C7RA06310E","","","0.710747","MoKα","","0.0659","0.0603","","","","0.1687","","","","","","1.0508","","","","has coordinates","199341","2020-10-21","18:00:00",""
"7228762","13.372","0.003","17.214","0.003","22.022","0.007","90","","124.08","0.02","90","","4199","2","113.15","","113.15","","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C68 H50 F36 Ho2 N6 O18 -","- C68 H50 F36 Ho2 N6 O18 -","- C136 H100 F72 Ho4 N12 O36 -","2","0.5","","Zhu, Mei; Li, Yang; Jia, Lingjie; Zhang, Li; Zhang, Wei","Syntheses, crystal structures, and magnetic properties of cyclic dimer Ln2L2 complexes constructed from (3-pyridinylmethoxy)phenyl-substituted nitronyl nitroxide ligands","RSC Adv.","2017","7","59","36895","","10.1039/C7RA06310E","","","0.710747","MoKα","","0.0776","0.0642","","","","0.1791","","","","","","1.0231","","","","has coordinates","199341","2020-10-21","18:00:00",""
"7228763","22.7859","0.0018","7.8177","0.0005","11.411","0.0008","90","","94.96","0.007","90","","2025.1","0.3","293","2","293","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","4-Ferrocenylethynyl-[2, 2]paracyclophane","","- C28 H24 Fe -","- C28 H24 Fe -","- C112 H96 Fe4 -","4","1","","Torubaev, Yury; Lyssenko, Konstantin A.; Barzilovich, Petro Yu.; Mobin, Shaikh M.; Singh, Ajeet; Saratov, George A.; Mathur, Pradeep","Self-assembly of conducting cocrystals via iodine—-π(Cp) interactions","CrystEngComm","2017","","","","","10.1039/C7CE00857K","","","0.71073","MoKα","","0.1446","0.0837","","","0.1698","0.2073","","","","","","0.994","","","","has coordinates,has disorder","199356","2020-10-21","18:00:00",""
"7228764","9.7975","0.0013","14.719","0.002","15.736","0.002","113.443","0.002","98.806","0.002","92.046","0.002","2045.7","0.5","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","1,1'-diiacetylferocene 1,2-diiodoethene","","- C17.5 H14 Fe I3.5 O2 -","- C17.5 H14 Fe I3.5 O2 -","- C70 H56 Fe4 I14 O8 -","4","2","","Torubaev, Yury; Lyssenko, Konstantin A.; Barzilovich, Petro Yu.; Mobin, Shaikh M.; Singh, Ajeet; Saratov, George A.; Mathur, Pradeep","Self-assembly of conducting cocrystals via iodine—-π(Cp) interactions","CrystEngComm","2017","","","","","10.1039/C7CE00857K","","","0.71073","MoKα","","0.0471","0.0416","","","0.1261","0.132","","","","","","1.039","","","","has coordinates","199356","2020-10-21","18:00:00",""
"7228765","9.911","0.002","12.556","0.003","14.111","0.003","112.72","0.03","92.88","0.03","104.63","0.03","1545.6","0.8","293","2","293","2","","","","","","","","4","P -1","-P 1","2","","4-Ferrocenylethynyl-[2, 2]paracyclophane 1,4-bis(iodoethynyl)benzene","","- C38 H28 Fe I2 -","- C38 H28 Fe I2 -","- C76 H56 Fe2 I4 -","2","1","","Torubaev, Yury; Lyssenko, Konstantin A.; Barzilovich, Petro Yu.; Mobin, Shaikh M.; Singh, Ajeet; Saratov, George A.; Mathur, Pradeep","Self-assembly of conducting cocrystals via iodine—-π(Cp) interactions","CrystEngComm","2017","","","","","10.1039/C7CE00857K","","","0.71073","MoKα","","0.1363","0.0717","","","0.1712","0.2064","","","","","","1.082","","","","has coordinates,has disorder","199356","2020-10-21","18:00:00",""
"7228766","12.501","0.005","8.851","0.004","9.68","0.004","90","","118.987","0.005","90","","936.9","0.7","293","2","293","2","","","","","","","","4","C 1 2/m 1","-C 2y","12","","ferrocene 1,4-bis(iodoethynyl)benzene","","- C20 H14 Fe I2 -","- C20 H14 Fe I2 -","- C40 H28 Fe2 I4 -","2","0.25","","Torubaev, Yury; Lyssenko, Konstantin A.; Barzilovich, Petro Yu.; Mobin, Shaikh M.; Singh, Ajeet; Saratov, George A.; Mathur, Pradeep","Self-assembly of conducting cocrystals via iodine—-π(Cp) interactions","CrystEngComm","2017","","","","","10.1039/C7CE00857K","","","0.71073","MoKα","","0.0443","0.036","","","0.0875","0.0931","","","","","","1.057","","","","has coordinates,has disorder","199356","2020-10-21","18:00:00",""
"7228767","9.5077","0.0019","8.6571","0.0017","10.041","0.002","90","","111.63","0.03","90","","768.3","0.3","110","2","110","2","","","","","","","","4","P 1 21/m 1","-P 2yb","11","","ferrocene iodophenylacetylene","","- C18 H15 Fe I -","- C18 H15 Fe I -","- C36 H30 Fe2 I2 -","2","0.5","","Torubaev, Yury; Lyssenko, Konstantin A.; Barzilovich, Petro Yu.; Mobin, Shaikh M.; Singh, Ajeet; Saratov, George A.; Mathur, Pradeep","Self-assembly of conducting cocrystals via iodine—-π(Cp) interactions","CrystEngComm","2017","","","","","10.1039/C7CE00857K","","","0.71073","MoKα","","0.0185","0.0177","","","0.049","0.0501","","","","","","1.103","","","","has coordinates","199356","2020-10-21","18:00:00",""
"7228768","20.4752","0.0009","7.4221","0.0003","18.223","0.0008","90","","111.102","0.0007","90","","2583.62","0.19","120","2","120","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C12 H10 Fe I2 -","- C12 H10 Fe I2 -","- C96 H80 Fe8 I16 -","8","1","","Torubaev, Yury; Lyssenko, Konstantin A.; Barzilovich, Petro Yu.; Mobin, Shaikh M.; Singh, Ajeet; Saratov, George A.; Mathur, Pradeep","Self-assembly of conducting cocrystals via iodine—-π(Cp) interactions","CrystEngComm","2017","","","","","10.1039/C7CE00857K","","","0.71073","MoKα","","0.0204","0.0192","","","0.046","0.0468","","","","","","1.07","","","","has coordinates","199356","2020-10-21","18:00:00",""
"7228769","4.8736","0.0005","8.5549","0.001","12.5992","0.0016","90","","91.428","0.004","90","","525.14","0.11","296","2","296","2","","","","","","","","4","P 1 c 1","P -2yc","7","","","","- C12 H8 N4 O2 -","- C12 H8 N4 O2 -","- C24 H16 N8 O4 -","2","1","","A, Irudaya Jothi; Alexander, V.","Organic NLO Material with H-Bonded 1D Helical Self-Assembly: Synthesis, X-Ray Crystal Structure, DFT Calculations, SHG Measurements and Thermal Studies of (5Z,6E)-1,10-Phenanthroline-5,6-dione Dioxime","CrystEngComm","2017","","","","","10.1039/C7CE00743D","","","0.71073","MoKα","","0.0597","0.039","","","0.0911","0.102","","","","","","1.032","","","","has coordinates","199357","2020-10-21","18:00:00",""
"7228770","7.029","0.001","10.5537","0.0015","10.8826","0.0015","73.431","0.005","76.424","0.005","71.357","0.005","723.95","0.18","120","2","120","2","","","","","","","","4","P -1","-P 1","2","","EK-B-Mal (3-pyridyl)-CONH-N=CH-(4-pyridyl), HOOC-(CH2)-COOH","","- C15 H14 N4 O5 -","- C15 H14 N4 O5 -","- C30 H28 N8 O10 -","2","1","","Krueger, Erika L.; Sinha, Abhijeet S.; Desper, John; Aakeröy, Christer B.","Exploring binding preferences in co-crystals of conformationally flexible multitopic ligands","CrystEngComm","2017","","","","","10.1039/C7CE01177F","","","0.71073","MoKα","","0.0638","0.0448","","","0.1154","0.1305","","","","","","1.066","","","","has coordinates,has disorder","199358","2020-10-21","18:00:00",""
"7228771","5.966","0.0005","7.2613","0.0006","16.896","0.0014","89.858","0.002","80.013","0.003","79.638","0.002","708.79","0.1","120","2","120","2","","","","","","","","4","P -1","-P 1","2","","EK-A-Adp [2-pyridyl-CONH-N=CH-(3-pyridyl)]2, HOOC-(CH2)4-COOH","","- C30 H30 N8 O6 -","- C30 H30 N8 O6 -","- C30 H30 N8 O6 -","1","0.5","","Krueger, Erika L.; Sinha, Abhijeet S.; Desper, John; Aakeröy, Christer B.","Exploring binding preferences in co-crystals of conformationally flexible multitopic ligands","CrystEngComm","2017","","","","","10.1039/C7CE01177F","","","0.71073","MoKα","","0.0476","0.0435","","","0.116","0.1198","","","","","","0.953","","","","has coordinates","199358","2020-10-21","18:00:00",""
"7228772","5.5981","0.0007","45.389","0.005","7.3036","0.0008","90","","98.469","0.005","90","","1835.6","0.4","120","2","120","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","EK-A-Pim (2-pyridyl)-CONH-N=CH-(3-pyridyl), HOOC-(CH2)5-COOH","","- C19 H22 N4 O5 -","- C19 H22 N4 O5 -","- C76 H88 N16 O20 -","4","1","","Krueger, Erika L.; Sinha, Abhijeet S.; Desper, John; Aakeröy, Christer B.","Exploring binding preferences in co-crystals of conformationally flexible multitopic ligands","CrystEngComm","2017","","","","","10.1039/C7CE01177F","","","0.71073","MoKα","","0.0774","0.0557","","","0.1418","0.1558","","","","","","1.048","","","","has coordinates","199358","2020-10-21","18:00:00",""
"7228773","10.9929","0.001","11.4742","0.001","16.1087","0.0014","102.095","0.003","108.567","0.004","95.615","0.003","1853.4","0.3","120","2","120","2","","","","","","","","4","P -1","-P 1","2","","EK-B-Glu (3-pyridyl)-CONH-N=CH-(4-pyridyl), HOOC-(CH2)3-COOH dihydrate","","- C17 H22 N4 O7 -","- C17 H22 N4 O7 -","- C68 H88 N16 O28 -","4","2","","Krueger, Erika L.; Sinha, Abhijeet S.; Desper, John; Aakeröy, Christer B.","Exploring binding preferences in co-crystals of conformationally flexible multitopic ligands","CrystEngComm","2017","","","","","10.1039/C7CE01177F","","","0.71073","MoKα","","0.0966","0.058","","","0.1562","0.1839","","","","","","1.054","","","","has coordinates","199358","2020-10-21","18:00:00",""
"7228774","6.6774","0.0011","8.2196","0.0014","15.972","0.003","81.888","0.007","83.771","0.008","74.805","0.007","835.2","0.3","120","2","120","2","","","","","","","","4","P -1","-P 1","2","","EK-D-Sub [(4-pyridyl)-CONH-N=CH-(2-pyridyl)]2, HOOC-(CH2)6-COOH dihydrate","","- C32 H38 N8 O8 -","- C32 H38 N8 O8 -","- C32 H38 N8 O8 -","1","0.5","","Krueger, Erika L.; Sinha, Abhijeet S.; Desper, John; Aakeröy, Christer B.","Exploring binding preferences in co-crystals of conformationally flexible multitopic ligands","CrystEngComm","2017","","","","","10.1039/C7CE01177F","","","1.54178","CuKα","","0.0423","0.039","","","0.1033","0.1069","","","","","","1.047","","","","has coordinates","199358","2020-10-21","18:00:00",""
"7228775","7.116","0.0008","13.084","0.0016","36.062","0.005","90","","90","","90","","3357.6","0.7","120","2","120","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","EK-B-Suc 3-pyridyl-CONH-N=CH-(3-pyridyl), HOOC-(CH2)2-COOH","","- C16 H18 N4 O6 -","- C16 H18 N4 O6 -","- C128 H144 N32 O48 -","8","1","","Krueger, Erika L.; Sinha, Abhijeet S.; Desper, John; Aakeröy, Christer B.","Exploring binding preferences in co-crystals of conformationally flexible multitopic ligands","CrystEngComm","2017","","","","","10.1039/C7CE01177F","","","1.54178","CuKα","","0.0732","0.0552","","","0.138","0.156","","","","","","1.125","","","","has coordinates","199358","2020-10-21","18:00:00",""
"7228776","6.5986","0.0006","8.0173","0.0008","15.3396","0.0014","97.862","0.004","101.861","0.003","104.541","0.003","753.39","0.12","120","2","120","2","","","","","","","","4","P -1","-P 1","2","","EK-D-Adp [(4-pyridyl)-CONH-N=CH-(2-pyridyl)]2, HOOC-(CH2)4-COOH dihydrate","","- C30 H34 N8 O8 -","- C30 H34 N8 O8 -","- C30 H34 N8 O8 -","1","0.5","","Krueger, Erika L.; Sinha, Abhijeet S.; Desper, John; Aakeröy, Christer B.","Exploring binding preferences in co-crystals of conformationally flexible multitopic ligands","CrystEngComm","2017","","","","","10.1039/C7CE01177F","","","0.71073","MoKα","","0.0528","0.0426","","","0.123","0.1329","","","","","","1.058","","","","has coordinates","199358","2020-10-21","18:00:00",""
"7228777","8.5041","0.0012","9.6723","0.0014","14.013","0.002","80.742","0.006","81.368","0.006","68.77","0.005","1055.1","0.3","120","2","120","2","","","","","","","","4","P -1","-P 1","2","","EK-A-Azl (2-pyridyl)-CONH-N=CH-(3-pyridyl), HOOC-(CH2)7-COOH","","- C21 H26 N4 O5 -","- C21 H26 N4 O5 -","- C42 H52 N8 O10 -","2","1","","Krueger, Erika L.; Sinha, Abhijeet S.; Desper, John; Aakeröy, Christer B.","Exploring binding preferences in co-crystals of conformationally flexible multitopic ligands","CrystEngComm","2017","","","","","10.1039/C7CE01177F","","","1.54178","CuKα","","0.0413","0.0378","","","0.099","0.1052","","","","","","1.109","","","","has coordinates","199358","2020-10-21","18:00:00",""
"7228778","6.9504","0.001","14.17","0.002","23.788","0.003","79.555","0.009","84.61","0.008","89.821","0.009","2293.6","0.6","180","2","180","2","","","","","","","","4","P -1","-P 1","2","","EK-C-Seb (3-pyridyl)-CONH-N=CH-(3-pyridyl), HOOCH-(CH2)8-COOH hydrate","","- C22 H30 N4 O6 -","- C22 H30 N4 O6 -","- C88 H120 N16 O24 -","4","2","","Krueger, Erika L.; Sinha, Abhijeet S.; Desper, John; Aakeröy, Christer B.","Exploring binding preferences in co-crystals of conformationally flexible multitopic ligands","CrystEngComm","2017","","","","","10.1039/C7CE01177F","","","1.54178","CuKα","","0.1049","0.0764","","","0.2234","0.2466","","","","","","1.447","","","","has coordinates,has disorder","199358","2020-10-21","18:00:00",""
"7228779","6.93","0.0008","7.8773","0.001","24.68","0.003","85.562","0.006","83.394","0.006","66.198","0.005","1223.8","0.3","120","2","120","2","","","","","","","","4","P -1","-P 1","2","","EK-C-Dod (3-pyridyl)-CONH-N=CH-(3-pyridyl), HOOC-(CH2)10-COOH hydrate","","- C24 H34 N4 O6 -","- C24 H34 N4 O6 -","- C48 H68 N8 O12 -","2","1","","Krueger, Erika L.; Sinha, Abhijeet S.; Desper, John; Aakeröy, Christer B.","Exploring binding preferences in co-crystals of conformationally flexible multitopic ligands","CrystEngComm","2017","","","","","10.1039/C7CE01177F","","","1.54178","CuKα","","0.0524","0.0452","","","0.1154","0.1187","","","","","","1.064","","","","has coordinates","199358","2020-10-21","18:00:00",""
"7228780","20.694","0.003","5.5714","0.0008","14.954","0.002","90","","105.047","0.007","90","","1665","0.4","120","2","120","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","EK-A-Glu (2-pyridyl)-CONH-NHCO-(3-pyridyl), HOOC-(CH2)3-COOH","","- C17 H18 N4 O5 -","- C17 H18 N4 O5 -","- C68 H72 N16 O20 -","4","1","","Krueger, Erika L.; Sinha, Abhijeet S.; Desper, John; Aakeröy, Christer B.","Exploring binding preferences in co-crystals of conformationally flexible multitopic ligands","CrystEngComm","2017","","","","","10.1039/C7CE01177F","","","0.71073","MoKα","","0.1066","0.0703","","","0.1795","0.214","","","","","","1.216","","","","has coordinates","199358","2020-10-21","18:00:00",""
"7228781","36.802","0.008","7.2815","0.0014","12.533","0.003","90","","92.978","0.008","90","","3354","1.3","120","2","120","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","EK-D-Azl [(4-pyridyl)-CONH-N=CH-(2-pyridyl)]2, HOOC-(CH2)7-COOH dihydrate","","- C33 H40 N8 O8 -","- C33 H40 N8 O8 -","- C132 H160 N32 O32 -","4","1","","Krueger, Erika L.; Sinha, Abhijeet S.; Desper, John; Aakeröy, Christer B.","Exploring binding preferences in co-crystals of conformationally flexible multitopic ligands","CrystEngComm","2017","","","","","10.1039/C7CE01177F","","","0.71073","MoKα","","0.1244","0.0995","","","0.3006","0.3093","","","","","","2.015","","","","has coordinates,has disorder","199358","2020-10-21","18:00:00",""
"7228782","8.0953","0.0012","9.9439","0.0014","10.1459","0.0015","99.924","0.006","106.674","0.006","100.865","0.006","745.78","0.19","120","2","120","2","","","","","","","","4","P -1","-P 1","2","","EK-A-Mal (2-pyridyl)-CONH-N=CH-(3-pyridyl), HOOC-(CH2)1-COOH","","- C15 H14 N4 O5 -","- C15 H14 N4 O5 -","- C30 H28 N8 O10 -","2","1","","Krueger, Erika L.; Sinha, Abhijeet S.; Desper, John; Aakeröy, Christer B.","Exploring binding preferences in co-crystals of conformationally flexible multitopic ligands","CrystEngComm","2017","","","","","10.1039/C7CE01177F","","","1.54178","CuKα","","0.0465","0.0379","","","0.1078","0.1137","","","","","","1.04","","","","has coordinates","199358","2020-10-21","18:00:00",""
"7228783","9.0846","0.0018","20.082","0.004","19.763","0.004","90","","93.894","0.003","90","","3597.2","1.2","293","2","293","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C38 H60 Al N3 O -","- C38 H60 Al N3 O -","- C152 H240 Al4 N12 O4 -","4","1","","Keyes, Lauren K.; Todd, Angela D. K.; Giffin, Nick A.; Veinot, Alex J.; Hendsbee, Arthur D.; Robertson, Katherine N.; Geier, Stephen J.; Masuda, Jason D.","Reaction of sterically encumbered phenols, TEMPO-H, and organocarbonyl insertion reactions with L-AlH2 (L = HC(MeCNDipp)2, Dipp = 2,6-diisopropylphenyl)","RSC Adv.","2017","7","59","37315","","10.1039/C7RA06526D","","","0.71073","MoKα","","0.1021","0.0777","","","0.1855","0.1996","","","","","","1.121","","","","has coordinates","199366","2020-10-21","18:00:00",""
"7228784","9.292","0.003","11.936","0.003","17.61","0.005","98.473","0.004","104.305","0.004","100.237","0.004","1824.6","0.9","125","2","125","2","","","","","","","","5","P -1","-P 1","2","","","","- C38 H60 Al N3 O2 -","- C38 H60 Al N3 O2 -","- C76 H120 Al2 N6 O4 -","2","1","","Keyes, Lauren K.; Todd, Angela D. K.; Giffin, Nick A.; Veinot, Alex J.; Hendsbee, Arthur D.; Robertson, Katherine N.; Geier, Stephen J.; Masuda, Jason D.","Reaction of sterically encumbered phenols, TEMPO-H, and organocarbonyl insertion reactions with L-AlH2 (L = HC(MeCNDipp)2, Dipp = 2,6-diisopropylphenyl)","RSC Adv.","2017","7","59","37315","","10.1039/C7RA06526D","","","0.71073","MoKα","","0.1132","0.0624","","","0.1475","0.1779","","","","","","1.019","","","","has coordinates","199366","2020-10-21","18:00:00",""
"7228785","9.4049","0.0006","17.1433","0.0011","20.5503","0.0013","90","","90","","90","","3313.3","0.4","125","2","125.07","","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C36 H49 Al N2 O -","- C36 H49 Al N2 O -","- C144 H196 Al4 N8 O4 -","4","1","","Keyes, Lauren K.; Todd, Angela D. K.; Giffin, Nick A.; Veinot, Alex J.; Hendsbee, Arthur D.; Robertson, Katherine N.; Geier, Stephen J.; Masuda, Jason D.","Reaction of sterically encumbered phenols, TEMPO-H, and organocarbonyl insertion reactions with L-AlH2 (L = HC(MeCNDipp)2, Dipp = 2,6-diisopropylphenyl)","RSC Adv.","2017","7","59","37315","","10.1039/C7RA06526D","","","0.71073","MoKα","","0.0517","0.0413","","","0.0972","0.1031","","","","","","1.029","","","","has coordinates","199366","2020-10-21","18:00:00",""
"7228786","10.589","0.002","11.828","0.003","17.768","0.004","74.343","0.002","78.384","0.002","81.887","0.002","2090","0.8","100","2","99.98","","","","","","","","","5","P -1","-P 1","2","","","","- C42 H55 Al N2 O -","- C42 H53 Al N2 O -","- C84 H106 Al2 N4 O2 -","2","1","","Keyes, Lauren K.; Todd, Angela D. K.; Giffin, Nick A.; Veinot, Alex J.; Hendsbee, Arthur D.; Robertson, Katherine N.; Geier, Stephen J.; Masuda, Jason D.","Reaction of sterically encumbered phenols, TEMPO-H, and organocarbonyl insertion reactions with L-AlH2 (L = HC(MeCNDipp)2, Dipp = 2,6-diisopropylphenyl)","RSC Adv.","2017","7","59","37315","","10.1039/C7RA06526D","","","0.71073","MoKα","","0.1798","0.1186","","","0.3381","0.3795","","","","","","1.231","","","","has coordinates","199366","2020-10-21","18:00:00",""
"7228787","18.513","0.005","9.348","0.002","22.483","0.006","90","","92.259","0.003","90","","3887.9","1.7","150","2","150","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C43 H55 Al N2 O2 -","- C43 H55 Al N2 O2 -","- C172 H220 Al4 N8 O8 -","4","1","","Keyes, Lauren K.; Todd, Angela D. K.; Giffin, Nick A.; Veinot, Alex J.; Hendsbee, Arthur D.; Robertson, Katherine N.; Geier, Stephen J.; Masuda, Jason D.","Reaction of sterically encumbered phenols, TEMPO-H, and organocarbonyl insertion reactions with L-AlH2 (L = HC(MeCNDipp)2, Dipp = 2,6-diisopropylphenyl)","RSC Adv.","2017","7","59","37315","","10.1039/C7RA06526D","","","0.71073","MoKα","","0.0676","0.0427","","","0.0951","0.1095","","","","","","1.014","","","","has coordinates,has disorder","199366","2020-10-21","18:00:00",""
"7228788","12.12","0.003","14.739","0.003","22.976","0.004","90.781","0.002","94.755","0.002","108.004","0.002","3886.6","1.4","125","2","125.15","","","","","","","","","5","P -1","-P 1","2","","","","- C38 H53 Al N2 O -","- C38 H53 Al N2 O -","- C152 H212 Al4 N8 O4 -","4","2","","Keyes, Lauren K.; Todd, Angela D. K.; Giffin, Nick A.; Veinot, Alex J.; Hendsbee, Arthur D.; Robertson, Katherine N.; Geier, Stephen J.; Masuda, Jason D.","Reaction of sterically encumbered phenols, TEMPO-H, and organocarbonyl insertion reactions with L-AlH2 (L = HC(MeCNDipp)2, Dipp = 2,6-diisopropylphenyl)","RSC Adv.","2017","7","59","37315","","10.1039/C7RA06526D","","","0.71073","MoKα","","0.1261","0.0711","","","0.1753","0.203","","","","","","1.028","","","","has coordinates","199366","2020-10-21","18:00:00",""
"7228789","12.5098","0.0016","15.1447","0.0019","22.23","0.003","90","","104.731","0.002","90","","4073.2","0.9","100","2","99.97","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C87 H129 Al2 N4 O2 -","- C87 H129 Al2 N4 O2 -","- C174 H258 Al4 N8 O4 -","2","0.5","","Keyes, Lauren K.; Todd, Angela D. K.; Giffin, Nick A.; Veinot, Alex J.; Hendsbee, Arthur D.; Robertson, Katherine N.; Geier, Stephen J.; Masuda, Jason D.","Reaction of sterically encumbered phenols, TEMPO-H, and organocarbonyl insertion reactions with L-AlH2 (L = HC(MeCNDipp)2, Dipp = 2,6-diisopropylphenyl)","RSC Adv.","2017","7","59","37315","","10.1039/C7RA06526D","","","0.71073","MoKα","","0.0847","0.057","","","0.1379","0.1537","","","","","","1.043","","","","has coordinates,has disorder","199366","2020-10-21","18:00:00",""
"7228790","29.928","0.01","18.643","0.006","22.998","0.008","90","","135.639","0.005","90","","8972","5","296","2","296.15","","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C54 H31 F4 Ir N6 O2 -","- C54 H31 F4 Ir N6 O2 -","- C432 H248 F32 Ir8 N48 O16 -","8","1","","Jing, Yi-Ming; Zheng, You-Xuan","Photoluminescence and electroluminescence of deep red iridium(iii) complexes with 2,3-diphenylquinoxaline derivatives and 1,3,4-oxadiazole derivatives ligands","RSC Adv.","2017","7","59","37021","","10.1039/C7RA05530G","","","0.71073","MoKα","","0.0755","0.0393","","","0.067","0.0778","","","","","","0.93","","","","has coordinates","199367","2020-10-21","18:00:00",""
"7228791","11.3469","0.0019","31.314","0.005","13.335","0.002","90","","110.451","0.003","90","","4439.5","1.2","293","2","293.15","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C54 H35 Ir N6 O2 -","- C54 H35 Ir N6 O2 -","- C216 H140 Ir4 N24 O8 -","4","1","","Jing, Yi-Ming; Zheng, You-Xuan","Photoluminescence and electroluminescence of deep red iridium(iii) complexes with 2,3-diphenylquinoxaline derivatives and 1,3,4-oxadiazole derivatives ligands","RSC Adv.","2017","7","59","37021","","10.1039/C7RA05530G","","","0.71073","MoKα","","0.121","0.104","","","0.2567","0.2655","","","","","","1.133","","","","has coordinates,has disorder","199367","2020-10-21","18:00:00",""
"7228792","8.5142","0.0015","11.569","0.002","14.932","0.003","99.351","0.001","96.856","0.002","90.793","0.003","1440.1","0.5","100","2","100","2","","","","","","","","6","P -1","-P 1","2","","","","- C24 H22 Cl6 Cu2 N8 O2 -","- C24 H22 Cl6 Cu2 N8 O2 -","- C48 H44 Cl12 Cu4 N16 O4 -","2","1","","Avasthi, Ilesha; Khanna, Shruti; Tripathi, Santosh K.; Verma, Sandeep","N9 substituent mediated structural tuning of copper‒purine complexes: chelate effect and thin film studies","CrystEngComm","2017","","","","","10.1039/C7CE01017F","","","0.71073","MoKα","","0.0553","0.0488","","","0.1344","0.1521","","","","","","1.092","","","","has coordinates","199394","2020-10-21","18:00:00",""
"7228793","12.7021","0.0005","14.1024","0.0007","15.562","0.0008","90","","109.43","0.001","90","","2628.9","0.2","100","2","100","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C17 H21 Cl5 Cu2 N8 O2 -","- C17 H21 Cl5 Cu2 N8 O2 -","- C68 H84 Cl20 Cu8 N32 O8 -","4","1","","Avasthi, Ilesha; Khanna, Shruti; Tripathi, Santosh K.; Verma, Sandeep","N9 substituent mediated structural tuning of copper‒purine complexes: chelate effect and thin film studies","CrystEngComm","2017","","","","","10.1039/C7CE01017F","","","0.71073","MoKα","","0.0228","0.0203","","","0.05","0.0514","","","","","","1.048","","","","has coordinates","199394","2020-10-21","18:00:00",""
"7228794","4.1206","0.0001","12.0535","0.0004","21.2191","0.0007","90","","90","","90","","1053.9","0.06","100","2","100","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C11 H8 Cl N5 -","- C11 H8 Cl N5 -","- C44 H32 Cl4 N20 -","4","1","","Avasthi, Ilesha; Khanna, Shruti; Tripathi, Santosh K.; Verma, Sandeep","N9 substituent mediated structural tuning of copper‒purine complexes: chelate effect and thin film studies","CrystEngComm","2017","","","","","10.1039/C7CE01017F","","","0.71073","MoKα","","0.0428","0.0354","","","0.0772","0.0806","","","","","","1.104","","","","has coordinates","199394","2020-10-21","18:00:00",""
"7228795","14.292","0.004","15.123","0.005","8.344","0.006","90","","106.632","0.005","90","","1728","1.5","100","2","100","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C30 H28 Cl2 Cu2 N10 O8 -","- C30 H28 Cl2 Cu2 N10 O8 -","- C60 H56 Cl4 Cu4 N20 O16 -","2","0.5","","Avasthi, Ilesha; Khanna, Shruti; Tripathi, Santosh K.; Verma, Sandeep","N9 substituent mediated structural tuning of copper‒purine complexes: chelate effect and thin film studies","CrystEngComm","2017","","","","","10.1039/C7CE01017F","","","0.71073","MoKα","","0.0315","0.0252","","","0.0614","0.0646","","","","","","1.009","","","","has coordinates","199394","2020-10-21","18:00:00",""
"7228796","14.861","0.008","14.801","0.008","10.073","0.005","90","","107.679","0.009","90","","2111","1.9","100","2","100","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C16 H18 Cl4 Cu N8 -","- C16 H18 Cl4 Cu N8 -","- C64 H72 Cl16 Cu4 N32 -","4","1","","Avasthi, Ilesha; Khanna, Shruti; Tripathi, Santosh K.; Verma, Sandeep","N9 substituent mediated structural tuning of copper‒purine complexes: chelate effect and thin film studies","CrystEngComm","2017","","","","","10.1039/C7CE01017F","","","0.71073","MoKα","","0.0458","0.0387","","","0.0961","0.1033","","","","","","0.95","","","","has coordinates","199394","2020-10-21","18:00:00",""
"7228797","15.6","0.01","6.591","0.006","16.8","0.01","90","","90","","90","","1727","2","100","2","100","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C8 H9 Cl N4 -","- C8 H9 Cl N4 -","- C64 H72 Cl8 N32 -","8","1","","Avasthi, Ilesha; Khanna, Shruti; Tripathi, Santosh K.; Verma, Sandeep","N9 substituent mediated structural tuning of copper‒purine complexes: chelate effect and thin film studies","CrystEngComm","2017","","","","","10.1039/C7CE01017F","","","0.71073","MoKα","","0.0652","0.0519","","","0.1319","0.1437","","","","","","1.009","","","","has coordinates","199394","2020-10-21","18:00:00",""
"7228798","4.8996","0.0008","24.168","0.004","9.3291","0.0015","90","","93.474","0.003","90","","1102.7","0.3","100","2","100","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","9-benzyl 6-chloro purine","","","- C12 H9 Cl N4 -","- C12 H9 Cl N4 -","- C48 H36 Cl4 N16 -","4","1","","Avasthi, Ilesha; Khanna, Shruti; Tripathi, Santosh K.; Verma, Sandeep","N9 substituent mediated structural tuning of copper‒purine complexes: chelate effect and thin film studies","CrystEngComm","2017","","","","","10.1039/C7CE01017F","","","0.71073","MoKα","","0.082","0.059","","","0.1519","0.2173","","","","","","1.057","","","","has coordinates","199394","2020-10-21","18:00:00",""
"7228799","6.089","0.004","14.91","0.005","16.172","0.006","90","","95.488","0.005","90","","1461.5","1.2","100","2","100","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C8 H9 Cl5 Cu2 N4 O -","- C8 H9 Cl5 Cu2 N4 O -","- C32 H36 Cl20 Cu8 N16 O4 -","4","1","","Avasthi, Ilesha; Khanna, Shruti; Tripathi, Santosh K.; Verma, Sandeep","N9 substituent mediated structural tuning of copper‒purine complexes: chelate effect and thin film studies","CrystEngComm","2017","","","","","10.1039/C7CE01017F","","","0.71073","MoKα","","0.0387","0.0276","","","0.0625","0.0659","","","","","","1.034","","","","has coordinates","199394","2020-10-21","18:00:00",""
"7228800","9.3161","0.0007","26.987","0.002","13.2722","0.0009","90","","101.64","0.001","90","","3268.2","0.4","100","2","100","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C11 H10 Cl Cu N7 O7 -","- C11 H10 Cl Cu N7 O7 -","- C88 H80 Cl8 Cu8 N56 O56 -","8","2","","Avasthi, Ilesha; Khanna, Shruti; Tripathi, Santosh K.; Verma, Sandeep","N9 substituent mediated structural tuning of copper‒purine complexes: chelate effect and thin film studies","CrystEngComm","2017","","","","","10.1039/C7CE01017F","","","0.71073","MoKα","","0.0492","0.0374","","","0.0829","0.0875","","","","","","1.077","","","","has coordinates","199394","2020-10-21","18:00:00",""
"7228801","9.6202","0.0003","14.1254","0.0003","17.6565","0.0006","71.392","0.002","74.675","0.003","70.56","0.002","2110.45","0.11","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","","","- C72 H112 N8 O20 Si8 -","- C72 H112 N8 O20 Si8 -","- C72 H112 N8 O20 Si8 -","1","0.5","","El Aziz, Youssef; Mehrban, Nazia; Taylor, Peter G.; Birchall, Martin A.; Bowen, James; Bassindale, Alan R.; Pitak, Mateusz B.; Coles, Simon J.","Facile synthesis of novel hybrid POSS biomolecules via “Click” reactions","RSC Adv.","2017","7","59","37474","","10.1039/C7RA07915J","","x-ray","0.71075","MoKα","K-L~3~","0.0544","0.0459","","","0.1215","0.128","","","","","","1.022","","","","has coordinates,has disorder","199397","2020-10-21","18:00:00",""
"7228802","14.1022","0.001","24.4684","0.0011","18.3507","0.0013","90","","98.97","0.007","90","","6254.6","0.7","170","0.1","170","10","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C67 H74 Br4 O9 -","- C67 H74 Br4 O9 -","- C268 H296 Br16 O36 -","4","1","","Turunen, Lotta; Pan, Fangfang; Beyeh, Ngong Kodiah; Cetina, Mario; Trant, John; Ras, Robin H.A.; Rissanen, Kari","Halogen-Bonded Solvates of Tetrahaloethynyl Cavitands","CrystEngComm","2017","","","","","10.1039/C7CE01118K","","x-ray","0.71073","MoKα","","0.1594","0.089","","","0.2202","0.2722","","","","","","1.019","","","","has coordinates,has disorder","199418","2020-10-21","18:00:00",""
"7228803","14.4249","0.0002","25.2475","0.0003","17.8123","0.0003","90","","100.836","0.0016","90","","6371.43","0.16","170","0.1","170","0.1","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C65 H69 Br4 Cl3 O8 -","- C65 H69 Br4 Cl3 O8 -","- C260 H276 Br16 Cl12 O32 -","4","1","","Turunen, Lotta; Pan, Fangfang; Beyeh, Ngong Kodiah; Cetina, Mario; Trant, John; Ras, Robin H.A.; Rissanen, Kari","Halogen-Bonded Solvates of Tetrahaloethynyl Cavitands","CrystEngComm","2017","","","","","10.1039/C7CE01118K","","x-ray","0.71073","MoKα","","0.0772","0.0505","","","0.1325","0.1495","","","","","","1.029","","","","has coordinates,has disorder","199418","2020-10-21","18:00:00",""
"7228804","12.8712","0.0005","16.8782","0.0007","20.3485","0.0012","111.18","0.005","95.315","0.004","99.321","0.003","4012.3","0.4","120.01","0.1","120.01","0.1","","","","","","","","5","P -1","-P 1","2","","","","- C76 H100 I4 O12 S4 -","- C76 H100 I4 O12 S4 -","- C152 H200 I8 O24 S8 -","2","1","","Turunen, Lotta; Pan, Fangfang; Beyeh, Ngong Kodiah; Cetina, Mario; Trant, John; Ras, Robin H.A.; Rissanen, Kari","Halogen-Bonded Solvates of Tetrahaloethynyl Cavitands","CrystEngComm","2017","","","","","10.1039/C7CE01118K","","x-ray","1.54184","CuKα","","0.1471","0.092","","","0.2372","0.2885","","","","","","1.026","","","","has coordinates,has disorder","199418","2020-10-21","18:00:00",""
"7228805","14.222","0.0002","24.9361","0.0003","18.1166","0.0003","90","","98.6494","0.0016","90","","6351.82","0.16","123","0.1","123","0.1","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C66 H71 I4 N O8 -","- C66 H71 I4 N O8 -","- C264 H284 I16 N4 O32 -","4","1","","Turunen, Lotta; Pan, Fangfang; Beyeh, Ngong Kodiah; Cetina, Mario; Trant, John; Ras, Robin H.A.; Rissanen, Kari","Halogen-Bonded Solvates of Tetrahaloethynyl Cavitands","CrystEngComm","2017","","","","","10.1039/C7CE01118K","","x-ray","1.54184","CuKα","","0.0677","0.0515","","","0.1329","0.1462","","","","","","1.016","","","","has coordinates","199418","2020-10-21","18:00:00",""
"7228806","16.4002","0.001","17.5718","0.0008","19.1603","0.001","114.995","0.005","91.376","0.006","116.803","0.006","4306.9","0.6","123","0.1","123","0.1","","","","","","","","4","P -1","-P 1","2","","","","- C78.5 H97 I4 O11.5 -","- C78.5 H97 I4 O11.5 -","- C157 H194 I8 O23 -","2","1","","Turunen, Lotta; Pan, Fangfang; Beyeh, Ngong Kodiah; Cetina, Mario; Trant, John; Ras, Robin H.A.; Rissanen, Kari","Halogen-Bonded Solvates of Tetrahaloethynyl Cavitands","CrystEngComm","2017","","","","","10.1039/C7CE01118K","","x-ray","1.54184","CuKα","","0.2671","0.2203","","","0.4934","0.5261","","","","","","1.044","","","","has coordinates,has disorder","199418","2020-10-21","18:00:00",""
"7228807","22.1144","0.0011","22.3258","0.0017","17.2116","0.0006","90","","101.036","0.004","90","","8340.6","0.8","123","0.1","123","0.1","","","","","","","","5","C 1 2/m 1","-C 2y","12","","","","- C73 H91 I4 N3 O11 -","- C73 H91 I4 N3 O11 -","- C292 H364 I16 N12 O44 -","4","0.5","","Turunen, Lotta; Pan, Fangfang; Beyeh, Ngong Kodiah; Cetina, Mario; Trant, John; Ras, Robin H.A.; Rissanen, Kari","Halogen-Bonded Solvates of Tetrahaloethynyl Cavitands","CrystEngComm","2017","","","","","10.1039/C7CE01118K","","","1.54184","CuKα","","0.13","0.101","","","0.2903","0.3324","","","","","","1.056","","","","has coordinates,has disorder","199418","2020-10-21","18:00:00",""
"7228808","16.7987","0.0004","20.0128","0.0004","24.3284","0.0007","90.053","0.002","92.142","0.002","97.4128","0.0019","8104.8","0.3","123","0.1","123","0.1","","","","","","","","5","P -1","-P 1","2","","","","- C78.5 H100.5 I4 N3.5 O11.5 -","- C78.5 H100.5 I4 N3.5 O11.5 -","- C314 H402 I16 N14 O46 -","4","2","","Turunen, Lotta; Pan, Fangfang; Beyeh, Ngong Kodiah; Cetina, Mario; Trant, John; Ras, Robin H.A.; Rissanen, Kari","Halogen-Bonded Solvates of Tetrahaloethynyl Cavitands","CrystEngComm","2017","","","","","10.1039/C7CE01118K","","x-ray","1.54184","CuKα","","0.1307","0.0935","","","0.2546","0.3063","","","","","","1.038","","","","has coordinates,has disorder","199418","2020-10-21","18:00:00",""
"7228809","8.2252","0.0016","14.362","0.003","24.711","0.005","96.2","0.03","96.65","0.03","104.58","0.03","2777.4","1.1","150","2","150","2","","","","","","","","7","P -1","-P 1","2","","","","- C60 H48 Ag2 F6 N4 O16 S2 -","- C60 H48 Ag2 F6 N4 O16 S2 -","- C120 H96 Ag4 F12 N8 O32 S4 -","2","1","","Chen, Jing; Voutier, Noémie; Rajabi, Jamshid; Crochet, Aurelien; Bassani, Dario; Fromm, Katharina","Influence of Anions and Solvent Molecules on the Packing and Emission Spectra of Coordination Polymers Based on Silver ions and an Anthracene Derivative","CrystEngComm","2017","","","","","10.1039/C7CE00846E","","x-ray","0.71073","MoKα","","0.0814","0.077","","","0.2081","0.2101","","","","","","1.018","","","","has coordinates","199419","2020-10-21","18:00:00",""
"7228810","8.2703","0.0017","12.916","0.003","13.267","0.003","98.584","0.016","99.288","0.016","98.638","0.017","1360.7","0.5","298","2","298","2","","","","","","","","7","P -1","-P 1","2","","","","- C29 H20 Ag F3 N2 O7 S -","- C29 H20 Ag F3 N2 O7 S -","- C58 H40 Ag2 F6 N4 O14 S2 -","2","1","","Chen, Jing; Voutier, Noémie; Rajabi, Jamshid; Crochet, Aurelien; Bassani, Dario; Fromm, Katharina","Influence of Anions and Solvent Molecules on the Packing and Emission Spectra of Coordination Polymers Based on Silver ions and an Anthracene Derivative","CrystEngComm","2017","","","","","10.1039/C7CE00846E","","x-ray","0.71073","MoKα","","0.1699","0.0922","","","0.187","0.2257","","","","","","1.094","","","","has coordinates","199419","2020-10-21","18:00:00",""
"7228811","32.985","0.002","5.4535","0.0002","14.469","0.0009","90","","112.955","0.005","90","","2396.6","0.2","150","2","150","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C28 H20 Ag N3 O7 -","- C28 H20 Ag N3 O7 -","- C112 H80 Ag4 N12 O28 -","4","0.5","","Chen, Jing; Voutier, Noémie; Rajabi, Jamshid; Crochet, Aurelien; Bassani, Dario; Fromm, Katharina","Influence of Anions and Solvent Molecules on the Packing and Emission Spectra of Coordination Polymers Based on Silver ions and an Anthracene Derivative","CrystEngComm","2017","","","","","10.1039/C7CE00846E","","x-ray","0.71073","MoKα","","0.0622","0.0529","","","0.1577","0.1658","","","","","","1.007","","","","has coordinates,has disorder","199419","2020-10-21","18:00:00",""
"7228812","8.2044","0.0004","9.4246","0.0004","16.7815","0.0008","93.942","0.004","96.876","0.004","91.701","0.004","1284.28","0.1","173","2","173","2","","","","","","","","5","P -1","-P 1","2","","","","- C29 H24 Ag N3 O8 -","- C29 H24 Ag N3 O8 -","- C58 H48 Ag2 N6 O16 -","2","1","","Chen, Jing; Voutier, Noémie; Rajabi, Jamshid; Crochet, Aurelien; Bassani, Dario; Fromm, Katharina","Influence of Anions and Solvent Molecules on the Packing and Emission Spectra of Coordination Polymers Based on Silver ions and an Anthracene Derivative","CrystEngComm","2017","","","","","10.1039/C7CE00846E","","x-ray","0.71073","MoKα","","0.0734","0.0608","","","0.144","0.1512","","","","","","1.084","","","","has coordinates","199419","2020-10-21","18:00:00",""
"7228813","4.82","0.0005","9.353","0.001","11.782","0.0012","99.589","0.008","99.411","0.008","90.265","0.008","516.4","0.09","173","2","173","2","","","","","","","","4","P -1","-P 1","2","","anthracene-9,10-diylbil(methylene) dinicotinate","","- C28 H20 N2 O4 -","- C28 H20 N2 O4 -","- C28 H20 N2 O4 -","1","0.5","","Chen, Jing; Voutier, Noémie; Rajabi, Jamshid; Crochet, Aurelien; Bassani, Dario; Fromm, Katharina","Influence of Anions and Solvent Molecules on the Packing and Emission Spectra of Coordination Polymers Based on Silver ions and an Anthracene Derivative","CrystEngComm","2017","","","","","10.1039/C7CE00846E","","x-ray","0.71073","MoKα","","0.0895","0.0466","","","0.0879","0.0971","","","","","","0.986","","","","has coordinates","199419","2020-10-21","18:00:00",""
"7228814","8.331","0.003","12.208","0.004","14.076","0.004","97.35","0.02","105.78","0.03","97.3","0.03","1346.5","0.8","250","2","250","2","","","","","","","","5","P -1","-P 1","2","","","","- C30 H26 Ag N3 O8 -","- C30 H26 Ag N3 O8 -","- C60 H52 Ag2 N6 O16 -","2","1","","Chen, Jing; Voutier, Noémie; Rajabi, Jamshid; Crochet, Aurelien; Bassani, Dario; Fromm, Katharina","Influence of Anions and Solvent Molecules on the Packing and Emission Spectra of Coordination Polymers Based on Silver ions and an Anthracene Derivative","CrystEngComm","2017","","","","","10.1039/C7CE00846E","","x-ray","0.71073","MoKα","","0.1428","0.0499","","","0.0959","0.1268","","","","","","0.868","","","","has coordinates","199419","2020-10-21","18:00:00",""
"7228815","7.5751","0.0005","10.0045","0.0007","13.9038","0.0009","93.5","0.006","90.41","0.005","104.176","0.006","1019.44","0.12","100.01","0.1","100.01","0.1","","","","","","","","5","P -1","-P 1","2","","","","- C18 H36 B Na O5 -","- C18 H36 B Na O5 -","- C36 H72 B2 Na2 O10 -","2","1","","Wu, Yile; Shan, Changkai; Ying, Jianxi; Su, Jue; Zhu, Jun; Liu, Liu Leo; Zhao, Yufen","Catalytic Hydroboration of Aldehydes, Ketones, Alkynes and Alkenes Initiated by NaOH","Green Chem.","2017","","","","","10.1039/C7GC01632H","","x-ray","1.54184","CuKα","","0.042","0.0394","","","0.1062","0.1096","","","","","","1.024","","","","has coordinates","199426","2020-10-21","18:00:00",""
"7228816","5.70714","0.00016","8.0548","0.0002","5.74023","0.00018","90","","90","","90","","263.878","0.013","298","","298","","0","","","","","","","4","I m m a","-I 2b 2","74","","Tantalum Lanthanum Dinitride Oxide","","- La N2 O Ta -","- La N2.00001 O0.99999 Ta -","- La4 N8.00004 O3.99996 Ta4 -","4","0.25","","Hojamberdiev, Mirabbos; Bekheet, Maged F.; Hart, Judy N.; Vequizo, Junie Jhon M.; Yamakata, Akira; Yubuta, Kunio; Gurlo, Aleksander; Hasegawa, Masashi; Domen, Kazunari; Teshima, Katsuya","Elucidating the Impact of A-Site Cation Change on Photocatalytic H2 and O2 Evolution Activities of Perovskite-Type LnTaON2 (Ln = La and Pr)","Phys. Chem. Chem. Phys.","2017","","","","","10.1039/C7CP03714G","powder diffraction","x-ray","1.54056","CuKα~1,2~","","0.025","","","","","","","","","","","","","","","has coordinates","199431","2020-10-21","18:00:00",""
"7228817","5.6848","0.0003","8.0116","0.0002","5.6808","0.0002","90","","90","","90","","258.728","0.018","298","","298","","0","","","","","","","4","P n m a","-P 2ac 2n","62","","Praseodymium Tantalum Oxide Dinitride","","- N2 O Pr Ta -","- N2.00001 O0.99999 Pr Ta -","- N8.00004 O3.99996 Pr4 Ta4 -","4","0.5","","Hojamberdiev, Mirabbos; Bekheet, Maged F.; Hart, Judy N.; Vequizo, Junie Jhon M.; Yamakata, Akira; Yubuta, Kunio; Gurlo, Aleksander; Hasegawa, Masashi; Domen, Kazunari; Teshima, Katsuya","Elucidating the Impact of A-Site Cation Change on Photocatalytic H2 and O2 Evolution Activities of Perovskite-Type LnTaON2 (Ln = La and Pr)","Phys. Chem. Chem. Phys.","2017","","","","","10.1039/C7CP03714G","powder diffraction","x-ray","1.54056","CuKα~1,2~","","0.028","","","","","","","","","","","","","","","has coordinates","199431","2020-10-21","18:00:00",""
"7228818","16.876","0.004","12.155","0.003","19.495","0.004","90","","111.576","0.002","90","","3718.8","1.5","110","","110","","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C14 H27 Cl2 N5 O Ru -","- C14 H27 Cl2 N5 O Ru -","- C112 H216 Cl16 N40 O8 Ru8 -","8","2","","Gopalakrishnan, Durairaj; Ganeshpandian, Mani; Loganathan, Rangasamy; Bhuvanesh, Nattamai S. P.; Sabina, Xavier Janet; Karthikeyan, J.","Water soluble Ru(ii)‒arene complexes of the antidiabetic drug metformin: DNA and protein binding, molecular docking, cytotoxicity and apoptosis-inducing activity","RSC Adv.","2017","7","60","37706","","10.1039/C7RA06514K","","","0.71073","MoKα","","0.0611","0.0416","","","0.0699","0.0767","","","","","","1.05","","","","has coordinates,has disorder","199432","2020-10-21","18:00:00",""
"7228819","13.918","0.005","8.908","0.003","17.689","0.007","90","","94.416","0.007","90","","2186.6","1.4","173","","173","","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","CuNaph","","- C48 H44 Cu2 O12 -","- C48 H44 Cu2 O12 -","- C96 H88 Cu4 O24 -","2","0.5","","Ohmura, Tetsushi; Setoyama, Norihiko; Mukae, Yusuke; Usuki, Arimitsu; Senda, Shunsuke; Matsumoto, Tsuyoshi; Tatsumi, Kazuyuki","Supramolecular Porphyrin-Based Metal-Organic Frameworks: Cu(II) Naphthoate-Cu(II) TetraPyridyl Porphine Structures Exhibiting Selective CO2/N2 Separation","CrystEngComm","2017","","","","","10.1039/C7CE01138E","","","0.7107","MoKα","","","0.0429","","","","0.0539","","","","","","1.023","","","","has coordinates","199447","2020-10-21","18:00:00",""
"7228820","22.346","0.0007","22.346","0.0007","14.2977","0.0007","90","","90","","90","","7139.5","0.5","113","","113","","","","","","","","","5","I 4/m m m","-I 4 2","139","","CuAcO-CuTPyP","","- C7 H7 Cu0.63 N O2 -","- C7 H7 Cu0.625 N O2 -","- C112 H112 Cu10 N16 O32 -","16","0.5","","Ohmura, Tetsushi; Setoyama, Norihiko; Mukae, Yusuke; Usuki, Arimitsu; Senda, Shunsuke; Matsumoto, Tsuyoshi; Tatsumi, Kazuyuki","Supramolecular Porphyrin-Based Metal-Organic Frameworks: Cu(II) Naphthoate-Cu(II) TetraPyridyl Porphine Structures Exhibiting Selective CO2/N2 Separation","CrystEngComm","2017","","","","","10.1039/C7CE01138E","","","0.71075","MoKα","","0.0709","0.0486","","","0.1624","0.1721","","","","","","1.148","","","","has coordinates","199447","2020-10-21","18:00:00",""
"7228821","17.653","0.004","43.763","0.011","18.317","0.005","90","","102.967","0.003","90","","13790","6","173","","173","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C128 H80 Cu5 N8 O16 -","- C128 H80 Cu5 N8 O16 -","- C512 H320 Cu20 N32 O64 -","4","1","","Ohmura, Tetsushi; Setoyama, Norihiko; Mukae, Yusuke; Usuki, Arimitsu; Senda, Shunsuke; Matsumoto, Tsuyoshi; Tatsumi, Kazuyuki","Supramolecular Porphyrin-Based Metal-Organic Frameworks: Cu(II) Naphthoate-Cu(II) TetraPyridyl Porphine Structures Exhibiting Selective CO2/N2 Separation","CrystEngComm","2017","","","","","10.1039/C7CE01138E","","","0.71075","MoKα","","0.1824","0.0987","","","0.2487","0.2979","","","","","","0.951","","","","has coordinates","199447","2020-10-21","18:00:00",""
"7228822","17.6894","0.0018","6.6145","0.0007","23.997","0.003","90","","100.392","0.011","90","","2761.7","0.5","298","2","298","2","","","","","","","","5","I 1 2/a 1","-I 2ya","15","","","","- C10 H24 N O4 P -","- C10 H24 N O4 P -","- C80 H192 N8 O32 P8 -","8","1","","Bhat, Gulzar A.; Kalita, Alok Ch; Murugavel, Ramaswamy","Intriguing Structural Chemistry of Neutral and Anionic Layered Monoalkylphosphates: Single-Source Precursors for High-Yield Ceramic Phosphates","CrystEngComm","2017","","","","","10.1039/C7CE01066D","","","0.71073","MoKα","","0.0821","0.0592","","","0.1361","0.1503","","","","","","1.049","","","","has coordinates","199448","2020-10-21","18:00:00",""
"7228823","22.8176","0.001","5.9912","0.0003","18.3149","0.0007","90","","96.199","0.004","90","","2489.1","0.19","150","2","150","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C8 H20 N O4 P -","- C8 H20 N O4 P -","- C64 H160 N8 O32 P8 -","8","1","","Bhat, Gulzar A.; Kalita, Alok Ch; Murugavel, Ramaswamy","Intriguing Structural Chemistry of Neutral and Anionic Layered Monoalkylphosphates: Single-Source Precursors for High-Yield Ceramic Phosphates","CrystEngComm","2017","","","","","10.1039/C7CE01066D","","","0.71073","MoKα","","0.0574","0.0464","","","0.115","0.1248","","","","","","1.05","","","","has coordinates","199448","2020-10-21","18:00:00",""
"7228824","12.6511","0.0005","6.4515","0.0002","24.2892","0.0007","90","","98.918","0.003","90","","1958.48","0.11","298","2","298","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C13 H37 N2 O7 P -","- C13 H37 N2 O7 P -","- C52 H148 N8 O28 P4 -","4","1","","Bhat, Gulzar A.; Kalita, Alok Ch; Murugavel, Ramaswamy","Intriguing Structural Chemistry of Neutral and Anionic Layered Monoalkylphosphates: Single-Source Precursors for High-Yield Ceramic Phosphates","CrystEngComm","2017","","","","","10.1039/C7CE01066D","","","0.71073","MoKα","","0.0927","0.0794","","","0.2217","0.2375","","","","","","1.043","","","","has coordinates","199448","2020-10-21","18:00:00",""
"7228825","14.6655","0.0002","14.6655","0.0002","5.8852","0.0001","90","","90","","90","","1265.77","0.03","150","2","150","2","","","","","","","","4","P 42/n","-P 4bc","86","","","","- C3 H9 O4 P -","- C3 H9 O4 P -","- C24 H72 O32 P8 -","8","","","Bhat, Gulzar A.; Kalita, Alok Ch; Murugavel, Ramaswamy","Intriguing Structural Chemistry of Neutral and Anionic Layered Monoalkylphosphates: Single-Source Precursors for High-Yield Ceramic Phosphates","CrystEngComm","2017","","","","","10.1039/C7CE01066D","","","0.71073","MoKα","","0.0312","0.0305","","","0.0887","0.0896","","","","","","1.084","","","","has coordinates","199448","2020-10-21","18:00:00",""
"7228826","13.4545","0.0012","6.1394","0.0004","16.6944","0.0012","90","","107.778","0.008","90","","1313.15","0.18","150","2","150","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C9 H22 N O4 P -","- C9 H22 N O4 P -","- C36 H88 N4 O16 P4 -","4","1","","Bhat, Gulzar A.; Kalita, Alok Ch; Murugavel, Ramaswamy","Intriguing Structural Chemistry of Neutral and Anionic Layered Monoalkylphosphates: Single-Source Precursors for High-Yield Ceramic Phosphates","CrystEngComm","2017","","","","","10.1039/C7CE01066D","","","0.71073","MoKα","","0.107","0.0935","","","0.2879","0.2919","","","","","","1.136","","","","has coordinates","199448","2020-10-21","18:00:00",""
"7228827","13.596","0.007","10.066","0.005","15.921","0.009","90","","111.966","0.009","90","","2020.7","1.8","150","2","150","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C12 H31 N O8 P2 -","- C12 H31 N O8 P2 -","- C48 H124 N4 O32 P8 -","4","1","","Bhat, Gulzar A.; Kalita, Alok Ch; Murugavel, Ramaswamy","Intriguing Structural Chemistry of Neutral and Anionic Layered Monoalkylphosphates: Single-Source Precursors for High-Yield Ceramic Phosphates","CrystEngComm","2017","","","","","10.1039/C7CE01066D","","","0.71075","MoKα","","0.0598","0.0572","","","0.1504","0.1522","","","","","","1.167","","","","has coordinates","199448","2020-10-21","18:00:00",""
"7228828","14.2044","0.0005","6.0526","0.0003","20.781","0.0008","90","","106.451","0.002","90","","1713.48","0.12","173","2","173","2","","","","","","","synthesis as described","4","P 1 21/n 1","-P 2yn","14","","","","- C20 H14 Cl2 N2 -","- C20 H14 Cl2 N2 -","- C80 H56 Cl8 N8 -","4","1","","Lei, Hu; Langlois, Adam; Fortin, Daniel; Karsenti, Paul-Ludovic; Aly, Shawkat M.; Harvey, Pierre D.","Rendering cross-conjugated azophenine derivatives emissive to probe the silent photophysical properties of emeraldine","Phys. Chem. Chem. Phys.","2017","","","","","10.1039/C7CP04102K","","x-ray","1.54178","CuKα","","0.1402","0.0927","","","0.2664","0.3147","","","","","","1.087","","","","has coordinates","199455","2020-10-21","18:00:00",""
"7228829","38.446","0.002","5.7728","0.0003","26.2153","0.0014","90","","102.956","0.004","90","","5670.1","0.5","173","2","173","2","","","","","","","synthesis as described","5","C 1 2/c 1","-C 2yc","15","","","","- C52 H64 N4 O2 Si4 -","- C52 H64 N4 O2 Si4 -","- C208 H256 N16 O8 Si16 -","4","0.5","","Lei, Hu; Langlois, Adam; Fortin, Daniel; Karsenti, Paul-Ludovic; Aly, Shawkat M.; Harvey, Pierre D.","Rendering cross-conjugated azophenine derivatives emissive to probe the silent photophysical properties of emeraldine","Phys. Chem. Chem. Phys.","2017","","","","","10.1039/C7CP04102K","","x-ray","1.54178","CuKα","","0.2812","0.1495","","","0.3593","0.4352","","","","","","1.207","","","","has coordinates,has disorder","199455","2020-10-21","18:00:00",""
"7228830","19.6056","0.0017","18.2484","0.0016","36.537","0.003","90","","104.497","0.002","90","","12655.7","1.9","173","2","173","2","","","","","","","synthesis as described","4","P 1 21/c 1","-P 2ybc","14","","","","- C290 H380 N4 O4 -","- C290 H380 N4 O4 -","- C580 H760 N8 O8 -","2","0.5","","Lei, Hu; Langlois, Adam; Fortin, Daniel; Karsenti, Paul-Ludovic; Aly, Shawkat M.; Harvey, Pierre D.","Rendering cross-conjugated azophenine derivatives emissive to probe the silent photophysical properties of emeraldine","Phys. Chem. Chem. Phys.","2017","","","","","10.1039/C7CP04102K","","x-ray","0.71073","MoKα","","0.4324","0.1936","","","0.4267","0.5163","","","","","","1.273","","","","has coordinates,has disorder","199455","2020-10-21","18:00:00",""
"7228831","15.8703","0.0009","26.0327","0.0014","19.7604","0.0011","90","","92.1531","0.0018","90","","8158.2","0.8","93","2","93","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C48 H114 Co3 N8 O33 V10 -","- C48 H114 Co3 N8 O33 V10 -","- C192 H456 Co12 N32 O132 V40 -","4","1","","Maruyama, Tatsuya; Kikukawa, Yuji; Sakiyama, Hiroshi; Katayama, Misaki; Inada, Yasuhiro; Hayashi, Yoshihito","A highly-flexible cyclic-decavanadate ligand for interconversion of dinuclear- and trinuclear-cobalt(ii) and manganese(ii) cores","RSC Adv.","2017","7","60","37666","","10.1039/C7RA05941H","","","0.71075","MoKα","","0.0454","0.0398","","","0.0976","0.1036","","","","","","1.084","","","","has coordinates","199456","2020-10-21","18:00:00",""
"7228832","11.2581","0.0002","28.6822","0.001","19.2173","0.0005","90","","103.658","0.002","90","","6029.9","0.3","293","2","293","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","SF2738E","","- C15 H17 N3 O2 S -","- C15.25 H17 N3 O2 S -","- C244 H272 N48 O32 S16 -","16","4","","Deng, Lina; Wang, Rui; Wang, Guowei; Liu, Mingxu; Liao, Guojian; Liao, Zhihua; Chen, Min","Targeted isolation of sulfur-containing metabolites from Lsr2-deletion mutant strain of Streptomyces roseosporus","RSC Adv.","2017","7","60","37771","","10.1039/C7RA06482A","","","0.71073","MoKα","","0.0853","0.0536","","","0.1266","0.146","","","","","","1.057","","","","has coordinates","202518","2020-10-21","18:00:00",""
"7228833","7.4332","0.0012","12.5638","0.0019","12.657","0.002","67.799","0.01","78.034","0.013","78.704","0.013","1061.6","0.3","296","2","296","","","","","","","","","5","P 1","P 1","1","","(S,S)-Bis(2-hydroxypropylthio)(ethylenedithio) tetrathiafulvalene) chloride.H20","","- C14 H20 Cl O3 S8 -","- C14 H20 Cl O3 S8 -","- C28 H40 Cl2 O6 S16 -","2","2","","Lopez, Jordan R.; Martin, Lee; Wallis, John D.; Akutsu, Hiroki; Yamada, Jun-ichi; Nakatsuji, Shin-ichi; Wilson, Claire; Christensen, Jeppe; Coles, Simon J.","New semiconducting radical-cation salts of chiral bis(2-hydroxylpropylthio)ethylenedithio TTF","CrystEngComm","2017","","","","","10.1039/C7CE01014A","","","0.71075","MoKα","","0.0647","0.0497","","","0.1291","0.1401","","","","","","1.07","","","","has coordinates","199479","2020-10-21","18:00:00",""
"7228834","7.937","0.0007","21.4936","0.0016","27.622","0.003","90","","90","","90","","4712.2","0.7","298","","298","","","","","","","","","6","C 2 2 21","C 2c 2","20","","","","- C14 H18 F6 O2 P S8 -","- C14 H18 F6 O2 P S8 -","- C112 H144 F48 O16 P8 S64 -","8","1","","Lopez, Jordan R.; Martin, Lee; Wallis, John D.; Akutsu, Hiroki; Yamada, Jun-ichi; Nakatsuji, Shin-ichi; Wilson, Claire; Christensen, Jeppe; Coles, Simon J.","New semiconducting radical-cation salts of chiral bis(2-hydroxylpropylthio)ethylenedithio TTF","CrystEngComm","2017","","","","","10.1039/C7CE01014A","","","0.71075","MoKα","","","0.0517","","","","0.1618","","","","","","1.199","","","","has coordinates","199479","2020-10-21","18:00:00",""
"7228835","7.8561","0.0006","21.2753","0.0016","27.155","0.002","90","","90","","90","","4538.7","0.6","296","","296","","","","","","","","","5","C 2 2 21","C 2c 2","20","","","","- C14 H18 Cl O6 S8 -","- C14 H18 Cl O6.005 S8 -","- C112 H144 Cl8 O48.04 S64 -","8","1","","Lopez, Jordan R.; Martin, Lee; Wallis, John D.; Akutsu, Hiroki; Yamada, Jun-ichi; Nakatsuji, Shin-ichi; Wilson, Claire; Christensen, Jeppe; Coles, Simon J.","New semiconducting radical-cation salts of chiral bis(2-hydroxylpropylthio)ethylenedithio TTF","CrystEngComm","2017","","","","","10.1039/C7CE01014A","","","0.71075","MoKα","","","0.0589","","","","0.1424","","","","","","1.052","","","","has coordinates","199479","2020-10-21","18:00:00",""
"7228836","7.707","0.016","21.04","0.04","26.59","0.05","90","","90","","90","","4312","15","100","","100","2","","","","","","","","5","C 2 2 21","C 2c 2","20","","","","- C14 H18 Cl O6 S8 -","- C14 H18 Cl O6 S8 -","- C112 H144 Cl8 O48 S64 -","8","1","","Lopez, Jordan R.; Martin, Lee; Wallis, John D.; Akutsu, Hiroki; Yamada, Jun-ichi; Nakatsuji, Shin-ichi; Wilson, Claire; Christensen, Jeppe; Coles, Simon J.","New semiconducting radical-cation salts of chiral bis(2-hydroxylpropylthio)ethylenedithio TTF","CrystEngComm","2017","","","","","10.1039/C7CE01014A","","","0.6889","","","0.2257","0.1393","","","0.3193","0.3991","","","","","","1.031","","","","has coordinates,has disorder","199479","2020-10-21","18:00:00",""
"7228837","7.8564","0.0018","21.389","0.005","27.036","0.006","90","","90","","90","","4543.1","1.8","100","","100","2","","","","","","","","6","C 2 2 21","C 2c 2","20","","","","- C14 H18 F6 O2 P S8 -","- C14 H18 F6 O2 P S8 -","- C112 H144 F48 O16 P8 S64 -","8","1","","Lopez, Jordan R.; Martin, Lee; Wallis, John D.; Akutsu, Hiroki; Yamada, Jun-ichi; Nakatsuji, Shin-ichi; Wilson, Claire; Christensen, Jeppe; Coles, Simon J.","New semiconducting radical-cation salts of chiral bis(2-hydroxylpropylthio)ethylenedithio TTF","CrystEngComm","2017","","","","","10.1039/C7CE01014A","","","0.71075","MoKα","","0.07","0.0678","","","0.155","0.1568","","","","","","1.205","","","","has coordinates,has disorder","199479","2020-10-21","18:00:00",""
"7228838","9.831","0.0002","19.9437","0.0004","10.6022","0.0002","90","","97.857","0.002","90","","2059.22","0.07","150","2","150","2","","","","","","","","5","P 1 21 1","P 2yb","4","","(S,S)-Bis(2-hydroxypropylthio)(ethylenedithio) tetrathiafulvalene) bromide","","- C14 H18 Br O2 S8 -","- C14 H18 Br O2 S8 -","- C56 H72 Br4 O8 S32 -","4","2","","Lopez, Jordan R.; Martin, Lee; Wallis, John D.; Akutsu, Hiroki; Yamada, Jun-ichi; Nakatsuji, Shin-ichi; Wilson, Claire; Christensen, Jeppe; Coles, Simon J.","New semiconducting radical-cation salts of chiral bis(2-hydroxylpropylthio)ethylenedithio TTF","CrystEngComm","2017","","","","","10.1039/C7CE01014A","","","0.71073","MoKα","","0.0375","0.0342","","","0.0741","0.0759","","","","","","1.04","","","","has coordinates","203412","2020-10-21","18:00:00",""
"7228839","5.6157","0.0003","5.8013","0.0003","15.5403","0.0008","85.616","0.002","89.138","0.002","80.7","0.002","498.16","0.05","293","2","293","2","","","","","","","","6","P -1","-P 1","2","","","","- C16 H10 F4 I2 N6 O2 -","- C16 H10 F4 I2 N6 O2 -","- C16 H10 F4 I2 N6 O2 -","1","0.5","","Choquesillo-Lazarte, Duane; Nemec, Vinko; Cinčić, Dominik","Halogen bonded cocrystals of active pharmaceutical ingredients: pyrazinamide, lidocaine and pentoxifylline in combination with haloperfluorinated compounds","CrystEngComm","2017","","","","","10.1039/C7CE01252G","","","0.71073","MoKα","","0.0356","0.0278","","","0.0593","0.062","","","","","","1.109","","","","has coordinates","199480","2020-10-21","18:00:00",""
"7228840","8.3275","0.0015","15.183","0.003","15.17","0.003","90","","100.678","0.006","90","","1884.8","0.6","293","2","293","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C17 H22 F2 I N2 O -","- C17 H22 F2 I N2 O -","- C68 H88 F8 I4 N8 O4 -","4","1","","Choquesillo-Lazarte, Duane; Nemec, Vinko; Cinčić, Dominik","Halogen bonded cocrystals of active pharmaceutical ingredients: pyrazinamide, lidocaine and pentoxifylline in combination with haloperfluorinated compounds","CrystEngComm","2017","","","","","10.1039/C7CE01252G","","","1.54178","CuKα","","0.0558","0.0449","","","0.1228","0.1377","","","","","","1.07","","","","has coordinates","199480","2020-10-21","18:00:00",""
"7228841","5.2164","0.0008","5.7379","0.001","16.463","0.003","98.285","0.005","90.049","0.005","102.844","0.005","475.14","0.14","293","2","293","2","","","","","","","","6","P -1","-P 1","2","","","","- C16 H10 Br2 F4 N6 O2 -","- C16 H10 Br2 F4 N6 O2 -","- C16 H10 Br2 F4 N6 O2 -","1","0.5","","Choquesillo-Lazarte, Duane; Nemec, Vinko; Cinčić, Dominik","Halogen bonded cocrystals of active pharmaceutical ingredients: pyrazinamide, lidocaine and pentoxifylline in combination with haloperfluorinated compounds","CrystEngComm","2017","","","","","10.1039/C7CE01252G","","","0.71073","MoKα","","0.0778","0.044","","","0.0893","0.101","","","","","","1.038","","","","has coordinates","199480","2020-10-21","18:00:00",""
"7228842","5.0832","0.0006","11.3132","0.0014","16.794","0.002","107.353","0.007","96.484","0.007","90.132","0.007","915.26","0.19","293","2","293","2","","","","","","","","6","P -1","-P 1","2","","","","- C32 H36 Br2 F4 N8 O6 -","- C32 H36 Br2 F4 N8 O6 -","- C32 H36 Br2 F4 N8 O6 -","1","0.5","","Choquesillo-Lazarte, Duane; Nemec, Vinko; Cinčić, Dominik","Halogen bonded cocrystals of active pharmaceutical ingredients: pyrazinamide, lidocaine and pentoxifylline in combination with haloperfluorinated compounds","CrystEngComm","2017","","","","","10.1039/C7CE01252G","","","1.54178","CuKα","","0.1044","0.051","","","0.1236","0.1467","","","","","","1.049","","","","has coordinates","199480","2020-10-21","18:00:00",""
"7228843","8.1092","0.0004","14.9953","0.0007","15.2066","0.0008","90","","101.158","0.002","90","","1814.17","0.16","293","2","293","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C17 H22 Br F2 N2 O -","- C17 H22 Br F2 N2 O -","- C68 H88 Br4 F8 N8 O4 -","4","1","","Choquesillo-Lazarte, Duane; Nemec, Vinko; Cinčić, Dominik","Halogen bonded cocrystals of active pharmaceutical ingredients: pyrazinamide, lidocaine and pentoxifylline in combination with haloperfluorinated compounds","CrystEngComm","2017","","","","","10.1039/C7CE01252G","","","0.71073","MoKα","","0.0709","0.0541","","","0.1453","0.1589","","","","","","1.057","","","","has coordinates","199480","2020-10-21","18:00:00",""
"7228844","16.5437","0.0005","31.4061","0.0009","4.4844","0.0001","90","","90","","90","","2329.97","0.11","293","2","293","2","","","","","","","","6","P n a 21","P 2c -2n","33","","","","- C19 H18 F4 I2 N4 O3 -","- C19 H18 F4 I2 N4 O3 -","- C76 H72 F16 I8 N16 O12 -","4","1","","Choquesillo-Lazarte, Duane; Nemec, Vinko; Cinčić, Dominik","Halogen bonded cocrystals of active pharmaceutical ingredients: pyrazinamide, lidocaine and pentoxifylline in combination with haloperfluorinated compounds","CrystEngComm","2017","","","","","10.1039/C7CE01252G","","","1.54178","CuKα","","0.0953","0.0531","","","0.1338","0.1613","","","","","","1.031","","","","has coordinates","199480","2020-10-21","18:00:00",""
"7228845","12.5412","0.0009","12.9653","0.0009","14.9803","0.001","113.869","0.002","95.216","0.002","90.096","0.002","2216.3","0.3","296","2","296","2","","","","","","","","5","P -1","-P 1","2","","","","- C28 H24 N2 O20 Zn3 -","- C28 H24 N2 O20 Zn3 -","- C56 H48 N4 O40 Zn6 -","2","1","","wang, Jun; Ma, De-Yun; Liao, Weilin; Li, Shujun; Huang, Manfei; Liu, Huimin; Wang, Yifei; Xie, Rui; xu, jun","A hydrostable anionic zinc-organic framework carrier with a bcu topology for drug delivery","CrystEngComm","2017","","","","","10.1039/C7CE01238A","","","0.71073","MoKα","","0.0948","0.0529","","","0.1224","0.1483","","","","","","0.94","","","","has coordinates","199481","2020-10-21","18:00:00",""
"7228846","8.3398","0.0004","9.4693","0.0004","26.459","0.0012","90","","96.161","0.002","90","","2077.45","0.16","120","","120","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C28 H21 N3 O0.1 -","- C28 H21 N3 O0.1 -","- C112 H84 N12 O0.4 -","4","1","","Zhang, Mengmeng; Yang, Wen; Gong, Tingfeng; Zhou, Weiqun; Xue, Renyu","Tunable AIEE fluorescence constructed from a triphenylamine luminogen containing quinoline ‒ application in a reversible and tunable pH sensor","Phys. Chem. Chem. Phys.","2017","","","","","10.1039/C7CP03234J","","","0.71073","MoKα","","0.0922","0.0582","","","0.148","0.1752","","","","","","1.083","","","","has coordinates,has disorder","199494","2020-10-21","18:00:00",""
"7228847","9.895","0.003","10.405","0.003","13.082","0.004","95.13","0.006","109.149","0.005","93.123","0.005","1262.2","0.7","170","","170","","","","","","","","","5","P -1","-P 1","2","","","","- C28 H27 N O6 S -","- C28 H27 N O6 S -","- C56 H54 N2 O12 S2 -","2","1","","Hu, Jun-Hao; Xu, Yun-Chao; Liu, Dan-Dan; Sun, Bing; Yi, Ying; Zhang, Fang-Lin","Direct stereoselective construction of cyclopropane α-amino acid with contiguous quaternary centers via [4 + 2] annulation reaction","RSC Adv.","2017","7","60","38077","","10.1039/C7RA06465A","","","0.71073","MoKα","","0.0463","0.0393","","","0.1083","0.1125","","","","","","1.093","","","","has coordinates","199495","2020-10-21","18:00:00",""
"7228848","11.9066","0.0006","6.9184","0.0005","10.0338","0.0005","90","","90","","90","","826.53","0.08","220","2","220","2","","","","","","","","4","P n m a","-P 2ac 2n","62","","","","- As Ba Cs S4 -","- As Ba Cs S4 -","- As4 Ba4 Cs4 S16 -","4","0.5","","Jiang, Jianqiao; Mei, Dajiang; Gong, Pifu; Lin, Zheshuai; Zhong, Junbo; Wu, Yuandong","Wide band gap design of new chalcogenide compounds: KSrPS4 and CsBaAsS4","RSC Adv.","2017","7","60","38044","","10.1039/C7RA01142C","","","0.71073","MoKα","","0.0322","0.0309","","","0.0768","0.0775","","","","","","1.091","","","","has coordinates","199496","2020-10-21","18:00:00",""
"7228849","16.8214","0.0009","6.6274","0.0005","6.5585","0.0004","90","","90","","90","","731.16","0.08","220","2","220","2","","","","","","","","4","P n m a","-P 2ac 2n","62","","","","- K P S4 Sr -","- K P S4 Sr -","- K4 P4 S16 Sr4 -","4","0.5","","Jiang, Jianqiao; Mei, Dajiang; Gong, Pifu; Lin, Zheshuai; Zhong, Junbo; Wu, Yuandong","Wide band gap design of new chalcogenide compounds: KSrPS4 and CsBaAsS4","RSC Adv.","2017","7","60","38044","","10.1039/C7RA01142C","","","0.71073","MoKα","","0.0326","0.0292","","","0.0749","0.077","","","","","","1.077","","","","has coordinates","199496","2020-10-21","18:00:00",""
"7228850","8.6727","0.0005","21.9456","0.0014","12.5567","0.0007","90","","94.984","0.002","90","","2380.9","0.2","296","","296","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C29 H20 Br N3 O -","- C29 H20 Br N3 O -","- C116 H80 Br4 N12 O4 -","4","1","","Liu, Jiaming; Qian, Siran; Su, Zhenjie; Wang, Cunde","DBU-mediated [4 + 2] annulations of donor‒acceptor cyclopropanes with 3-aryl-2-cyanoacrylates for the synthesis of fully substituted anilines","RSC Adv.","2017","7","61","38342","","10.1039/C7RA07230A","","","0.71073","MoKα","","0.0838","0.0549","","","0.1431","0.159","","","","","","1.033","","","","has coordinates","199512","2020-10-21","18:00:00",""
"7228851","11.579","0.003","12.312","0.003","17.454","0.004","90","","107.948","0.01","90","","2367.2","1","296","","296","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C28 H18 Cl N3 O2 -","- C28 H18 Cl N3 O2 -","- C112 H72 Cl4 N12 O8 -","4","1","","Liu, Jiaming; Qian, Siran; Su, Zhenjie; Wang, Cunde","DBU-mediated [4 + 2] annulations of donor‒acceptor cyclopropanes with 3-aryl-2-cyanoacrylates for the synthesis of fully substituted anilines","RSC Adv.","2017","7","61","38342","","10.1039/C7RA07230A","","","0.71073","MoKα","","0.0785","0.0514","","","0.1166","0.1299","","","","","","1.034","","","","has coordinates","199512","2020-10-21","18:00:00",""
"7228852","8.6256","0.0001","22.3286","0.0003","10.6389","0.0002","90","","90","","90","","2049.03","0.05","173","2","173","2","","","","","","","","5","P 21 21 2","P 2 2ab","18","","","","- C21 H28 N2 O3 S -","- C21 H28 N2 O3 S -","- C84 H112 N8 O12 S4 -","4","1","","Yang, Shiwei; Bian, Guangling; Chen, Zhongxiang; Xia, Xiaohan; Zhou, Mi; Cui, Caiyan; Song, Ling","Highly efficient synthesis of chiral quaternary 3-aminooxindoles promoted by zinc(ii) chloride via Et2Zn-catalysed addition of Grignard reagents to isaltin-derived N-tert-butanesulfinyl ketimines","RSC Adv.","2017","7","61","38216","","10.1039/C7RA07692D","","","1.54184","CuKα","","0.0238","0.0231","","","0.0619","0.0624","","","","","","1.031","","","","has coordinates","199513","2020-10-21","18:00:00",""
"7228853","16.783","0.008","16.783","0.008","30.325","0.017","90","","90","","120","","7397","6","296.15","","296.15","","","","","","","","","6","R -3","-R 3","148","","","","- C78 H66 Cd3 N12 O20 P2 -","- C78 H66 Cd3 N12 O20 P2 -","- C234 H198 Cd9 N36 O60 P6 -","3","","","Huo, Liangqin; Zhang, Jie; Gao, Lingling; Wang, Xiaoqing; Liming, Fan; Fang, Kegong; Hu, Tuoping","Two Cadmium Coordination Polymers Based on Tris(p-carboxyphenyl) phosphane Oxide with Highly Selective Sensing of Nitrobenzene Derivatives and Hg2+ Cation","CrystEngComm","2017","","","","","10.1039/C7CE01227F","","","0.71073","MoKα","","0.0817","0.0589","","","0.1618","0.1715","","","","","","0.962","","","","has coordinates","199539","2020-10-21","18:00:00",""
"7228854","9.9742","0.0012","13.766","0.0016","26.363","0.003","94.356","0.003","92.135","0.003","93.846","0.003","3597.9","0.7","293","2","293","2","","","","","","","","6","P -1","-P 1","2","","","","- C78 H60 Cd2 N8 O17 P2 -","- C78 H60 Cd2 N8 O17 P2 -","- C156 H120 Cd4 N16 O34 P4 -","2","1","","Huo, Liangqin; Zhang, Jie; Gao, Lingling; Wang, Xiaoqing; Liming, Fan; Fang, Kegong; Hu, Tuoping","Two Cadmium Coordination Polymers Based on Tris(p-carboxyphenyl) phosphane Oxide with Highly Selective Sensing of Nitrobenzene Derivatives and Hg2+ Cation","CrystEngComm","2017","","","","","10.1039/C7CE01227F","","","0.71073","MoKα","","0.0883","0.0579","","","0.1465","0.1652","","","","","","1.058","","","","has coordinates,has disorder","199539","2020-10-21","18:00:00",""
"7228855","25.876","0.004","25.876","0.004","16.283","0.003","90","","90","","90","","10903","3","100","","100","","","","","","","","","5","I 41","I 4bw","80","2Zn","","","- C35 H36 N2 O10 Zn -","- C35 H35 N2 O10 Zn -","- C280 H280 N16 O80 Zn8 -","8","1","","Emerson, Adrian; Hawes, Chris Samuel; Knowles, Gregory P.; Chaffee, Alan L.; Batten, Stuart R.; Turner, David Roger","Coordination polymers from a flexible alkyldiamine-derived ligand","CrystEngComm","2017","","","","","10.1039/C7CE01133D","","","0.7108","Synchrotron","","0.0783","0.0594","","","0.1754","0.1953","","","","","","1.021","","","","has coordinates","199540","2020-10-21","18:00:00",""
"7228856","8.565","0.0017","10.777","0.002","37.736","0.008","90","","95.41","0.03","90","","3467.7","1.2","100","2","100","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","H6L1","","","- C35 H42 Cl2 N2 O11 -","- C35 H42 Cl2 N2 O11 -","- C140 H168 Cl8 N8 O44 -","4","1","","Emerson, Adrian; Hawes, Chris Samuel; Knowles, Gregory P.; Chaffee, Alan L.; Batten, Stuart R.; Turner, David Roger","Coordination polymers from a flexible alkyldiamine-derived ligand","CrystEngComm","2017","","","","","10.1039/C7CE01133D","","","0.7108","Synchrotron","","0.0771","0.0644","","","0.1453","0.1522","","","","","","1.084","","","","has coordinates","199540","2020-10-21","18:00:00",""
"7228857","30.23","0.006","27.415","0.005","26.578","0.005","90","","90","","90","","22027","7","100","","100","","","","","","","","","5","P n n a","-P 2a 2bc","52","1Cu","","","- C70 H68 Cu4 N4 O20 -","- C70 H68 Cu4 N4 O20 -","- C560 H544 Cu32 N32 O160 -","8","1","","Emerson, Adrian; Hawes, Chris Samuel; Knowles, Gregory P.; Chaffee, Alan L.; Batten, Stuart R.; Turner, David Roger","Coordination polymers from a flexible alkyldiamine-derived ligand","CrystEngComm","2017","","","","","10.1039/C7CE01133D","","","0.7108","Synchrotron","","0.1758","0.1137","","","0.3257","0.3668","","","","","","1.112","","","","has coordinates","199540","2020-10-21","18:00:00",""
"7228858","9.7703","0.00015","12.02971","0.00018","12.786","0.0002","90","","90.6565","0.0014","90","","1502.69","0.04","100","2","100","1","","","","","","","","3","P 1 21/n 1","-P 2yn","14","7-Methyl Dianin's compound","p-Hydroxyphenyl-2,2,4,7-tetramethylchroman","","- C19 H22 O2 -","- C19 H22 O2 -","- C76 H88 O8 -","4","1","","Frampton, Christopher Stephen; Gall, James H.; MacNicol, David D.","Total CCl4 guest alignment in a quasiracemic clathrate closely related to Dianin’s compound","CrystEngComm","2017","","","","","10.1039/C7CE01275F","","","1.54184","CuKα","","0.0371","0.035","","","0.0906","0.0928","","","","","","1.026","","","","has coordinates","199628","2020-10-21","18:00:00",""
"7228859","26.5576","0.0005","26.5576","0.0005","11.1274","0.0004","90","","90","","120","","6796.8","0.3","100","1","100","1","","","","","","","","4","R 3 :H","R 3","146","JACQ03 Quasiracemate, 4S-Dianins, 2S,4R nor analogue0.33 Tetrachloromethane solvate","4S-4-p-hydroxyphenyl-2,2,4-trimethylchroman, 2S,4R-4-p-hydroxyphenyl-2,4-dimethylchroman, 0.33 Tetrachloromethane solvate","","- C35.33333 H38 Cl1.33333 O4 -","- C35.3333 H38 Cl1.33333 O4 -","- C318 H342 Cl12 O36 -","9","1","","Frampton, Christopher Stephen; Gall, James H.; MacNicol, David D.","Total CCl4 guest alignment in a quasiracemic clathrate closely related to Dianin’s compound","CrystEngComm","2017","","","","","10.1039/C7CE01275F","","","1.54178","CuKα","","0.0346","0.0331","","","0.088","0.0931","","","","","","1.001","","","","has coordinates","212870","2020-10-21","18:00:00",""
"7228860","26.3307","0.0003","26.3307","0.0003","11.1874","0.0003","90","","90","","120","","6717.1","0.2","100","1","100","1","","","","","","","","4","R 3 :H","R 3","146","JACQ02 Quasiracemate, 2R,4R AND 2R,4S nor methyl analogues0.33 Tetrachloromethane solvate","2R,4R-4-p-hydroxyphenyl-2,4-dimethylchroman,2R,4S-4-p-hydroxyphenyl-2,4-dimethylchroman.0.33 Tetrachloromethane solvate","","- C103 H108 Cl4 O12 -","- C103 H108 Cl4 O12 -","- C309 H324 Cl12 O36 -","3","0.333333","","Frampton, Christopher Stephen; Gall, James H.; MacNicol, David D.","Total CCl4 guest alignment in a quasiracemic clathrate closely related to Dianin’s compound","CrystEngComm","2017","","","","","10.1039/C7CE01275F","","","1.54178","CuKα","","0.0493","0.0489","","","0.1353","0.1363","","","","","","1.061","","","","has coordinates,has disorder","199628","2020-10-21","18:00:00",""
"7228861","14.14913","0.00016","6.42088","0.00006","18.3566","0.0002","90","","111.973","0.0013","90","","1546.55","0.03","100","1","100","1","","","","","","","","3","P 1 21/n 1","-P 2yn","14","6-Methyl Dianin's compound","p-Hydroxyphenyl-2,2,4,6-tetramethylchroman","","- C19 H22 O2 -","- C19 H22 O2 -","- C76 H88 O8 -","4","1","","Frampton, Christopher Stephen; Gall, James H.; MacNicol, David D.","Total CCl4 guest alignment in a quasiracemic clathrate closely related to Dianin’s compound","CrystEngComm","2017","","","","","10.1039/C7CE01275F","","","1.54184","CuKα","","0.0378","0.0355","","","0.0914","0.0934","","","","","","1.019","","","","has coordinates","199628","2020-10-21","18:00:00",""
"7228862","8.13783","0.00015","11.6634","0.0002","13.498","0.0003","93.4739","0.0009","96.731","0.001","103.882","0.0011","1229.92","0.04","100","","100","","","","","","","","","5","P -1","-P 1","2","","","","- C28 H22 N2 O6 S2 -","- C28 H22 N2 O6 S2 -","- C56 H44 N4 O12 S4 -","2","1","","Takeda, Takashi; Suzuki, Yasutaka; Kawamata, Jun; Noro, Shin-ichiro; Nakamura, Takayoshi; Akutagawa, Tomoyuki","Emergent intramolecular hydrogen bonding effect to electronic structures of organic electron acceptors","Phys. Chem. Chem. Phys.","2017","","","","","10.1039/C7CP04402J","","","1.54187","CuKα","","0.1037","0.0703","","","0.1761","0.2066","","","","","","1.043","","","","has coordinates","199633","2020-10-21","18:00:00",""
"7228863","9.5634","0.0004","11.2799","0.0005","14.919","0.0006","90","","103.457","0.001","90","","1565.19","0.11","100","2","100","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C33 H53 N O6 -","- C33 H53 N O6 -","- C66 H106 N2 O12 -","2","1","","Nian, Yin; Yan, Hui; Li, Xiao-Nian; Zhou, Lin; Qiu, Ming-Hua","Cimifrigines A‒G, cytotoxic triterpenes with an oxime group from the flowers of Cimicifuga frigida","RSC Adv.","2017","7","61","38557","","10.1039/C7RA07275A","","","1.54178","CuKα","","0.1072","0.1056","","","0.2898","0.295","","","","","","1.492","","","","has coordinates","199635","2020-10-21","18:00:00",""
"7228864","26.362","0.002","5.8842","0.0005","8.6253","0.0007","90","","92.291","0.005","90","","1336.88","0.19","89","2","89","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","N-(3-methylphenyl)-2-naphthamide","","- C18 H15 N O -","- C18 H15 N O -","- C72 H60 N4 O4 -","4","1","","shukla, rahul; Saeed, Aamer; Simpson, Jim; Chopra, Deepak","Quantitative investigation of C-H…π and other intermolecular interactions in a series of crystalline N-(substituted phenyl)-2-naphthamide derivatives.","CrystEngComm","2017","","","","","10.1039/C7CE01310H","","","0.71073","MoKα","","0.1086","0.0895","","","0.2443","0.255","","","","","","1.084","","","","has coordinates","199653","2020-10-21","18:00:00",""
"7228865","28.7372","0.0016","5.4797","0.0003","7.8381","0.0005","90","","104.767","0.003","90","","1193.51","0.12","89","2","89","2","","","","","","","","4","C 1 c 1","C -2yc","9","","N-phenyl-2-naphthamide","","- C17 H13 N O -","- C17 H13 N O -","- C68 H52 N4 O4 -","4","1","","shukla, rahul; Saeed, Aamer; Simpson, Jim; Chopra, Deepak","Quantitative investigation of C-H…π and other intermolecular interactions in a series of crystalline N-(substituted phenyl)-2-naphthamide derivatives.","CrystEngComm","2017","","","","","10.1039/C7CE01310H","","","0.71073","MoKα","","0.0529","0.0445","","","0.1103","0.1152","","","","","","1.042","","","","has coordinates","199653","2020-10-21","18:00:00",""
"7228866","5.5994","0.0011","7.473","0.0015","15.867","0.003","88.78","0.03","84.12","0.03","84.82","0.03","657.7","0.2","89","2","89","2","","","","","","","","5","P -1","-P 1","2","","N-(4-chlorophenyl)-2-naphthamide","","- C17 H12 Cl N O -","- C17 H12 Cl N O -","- C34 H24 Cl2 N2 O2 -","2","1","","shukla, rahul; Saeed, Aamer; Simpson, Jim; Chopra, Deepak","Quantitative investigation of C-H…π and other intermolecular interactions in a series of crystalline N-(substituted phenyl)-2-naphthamide derivatives.","CrystEngComm","2017","","","","","10.1039/C7CE01310H","","","0.71073","MoKα","","0.0494","0.0392","","","0.1044","0.1104","","","","","","1.065","","","","has coordinates","199653","2020-10-21","18:00:00",""
"7228867","9.7762","0.0005","11.4779","0.0005","24.3526","0.0011","90","","90","","90","","2732.6","0.2","89","2","89","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","N-(3-methoxyphenyl)-2-naphthamide","","- C18 H15 N O2 -","- C18 H15 N O2 -","- C144 H120 N8 O16 -","8","2","","shukla, rahul; Saeed, Aamer; Simpson, Jim; Chopra, Deepak","Quantitative investigation of C-H…π and other intermolecular interactions in a series of crystalline N-(substituted phenyl)-2-naphthamide derivatives.","CrystEngComm","2017","","","","","10.1039/C7CE01310H","","","0.71073","MoKα","","0.0555","0.0431","","","0.1073","0.1144","","","","","","1.043","","","","has coordinates","199653","2020-10-21","18:00:00",""
"7228868","5.182","0.0009","6.5439","0.0011","19.416","0.003","90","","92.448","0.009","90","","657.81","0.19","89","2","89","2","","","","","","","","4","P 1 21 1","P 2yb","4","","N-cyclohexyl-2-naphthamide","","- C17 H19 N O -","- C17 H19 N O -","- C34 H38 N2 O2 -","2","1","","shukla, rahul; Saeed, Aamer; Simpson, Jim; Chopra, Deepak","Quantitative investigation of C-H…π and other intermolecular interactions in a series of crystalline N-(substituted phenyl)-2-naphthamide derivatives.","CrystEngComm","2017","","","","","10.1039/C7CE01310H","","","0.71073","MoKα","","0.0628","0.0486","","","0.1417","0.1692","","","","","","1.09","","","","has coordinates","199653","2020-10-21","18:00:00",""
"7228869","5.5162","0.0006","7.4987","0.0007","16.1006","0.0017","86.535","0.003","87.169","0.004","86.154","0.004","662.59","0.12","89","2","89","2","","","","","","","","4","P -1","-P 1","2","","N-(4-methoxyphenyl)-2-naphthamide","","- C18 H15 N O2 -","- C18 H15 N O2 -","- C36 H30 N2 O4 -","2","1","","shukla, rahul; Saeed, Aamer; Simpson, Jim; Chopra, Deepak","Quantitative investigation of C-H…π and other intermolecular interactions in a series of crystalline N-(substituted phenyl)-2-naphthamide derivatives.","CrystEngComm","2017","","","","","10.1039/C7CE01310H","","","0.71073","MoKα","","0.0588","0.0464","","","0.1374","0.1534","","","","","","1.071","","","","has coordinates","199653","2020-10-21","18:00:00",""
"7228870","8.027","0.0008","5.9177","0.0005","35.133","0.003","90","","90.186","0.001","90","","1668.9","0.3","298","2","298","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C22 H15 N O S -","- C22 H15 N O S -","- C88 H60 N4 O4 S4 -","4","1","","Niu , Yahui; Xu, Longfei; Wang, Qin; Wu, Haoran; Zhang, Yanrong","Planar 2-(2-hydroxyphenyl)benzothiazole-based dyes functionalized via triple bonds as exceedingly efficient solid-state fluorophores","CrystEngComm","2017","","","","","10.1039/C7CE01108C","","","0.71073","MoKα","","0.0799","0.057","","","0.1308","0.1411","","","","","","1.056","","","","has coordinates","199654","2020-10-21","18:00:00",""
"7228871","4.5363","0.0004","10.125","0.0008","34.375","0.003","90","","90","","90","","1578.8","0.2","298","2","298","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C21 H13 N O S -","- C21 H13 N O S -","- C84 H52 N4 O4 S4 -","4","1","","Niu , Yahui; Xu, Longfei; Wang, Qin; Wu, Haoran; Zhang, Yanrong","Planar 2-(2-hydroxyphenyl)benzothiazole-based dyes functionalized via triple bonds as exceedingly efficient solid-state fluorophores","CrystEngComm","2017","","","","","10.1039/C7CE01108C","","","0.71073","MoKα","","0.068","0.0446","","","0.0649","0.0684","","","","","","1.076","","","","has coordinates","199654","2020-10-21","18:00:00",""
"7228872","13.5252","0.0008","9.646","0.0005","18.4119","0.0012","90","","110.747","0.007","90","","2246.3","0.3","293","2","293","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C38 H38 Br2 Mn3 N4 O12 -","- C38 H38 Br2 Mn3 N4 O12 -","- C76 H76 Br4 Mn6 N8 O24 -","2","0.5","","Wei, Zhen; Zhang, Zong-Hui; Wang, Meng Meng; xu, ling; Liu, Bing; Jiao, Huan","Combination effect of ligand and ionic liquid components on the structure and property in manganese metal‒organic frameworks","CrystEngComm","2017","","","","","10.1039/C7CE01216K","","","0.71073","MoKα","","0.0609","0.044","","","0.1118","0.1242","","","","","","1.013","","","","has coordinates","199655","2020-10-21","18:00:00",""
"7228873","13.7103","0.0003","10.517","0.0002","16.7248","0.0004","90","","110.262","0.003","90","","2262.34","0.1","293","2","293","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C40 H42 Br2 Mn3 N4 O12 -","- C40 H42 Br2 Mn3 N4 O12 -","- C80 H84 Br4 Mn6 N8 O24 -","2","0.5","","Wei, Zhen; Zhang, Zong-Hui; Wang, Meng Meng; xu, ling; Liu, Bing; Jiao, Huan","Combination effect of ligand and ionic liquid components on the structure and property in manganese metal‒organic frameworks","CrystEngComm","2017","","","","","10.1039/C7CE01216K","","","0.71073","MoKα","","0.0422","0.0315","","","0.0787","0.0848","","","","","","1.025","","","","has coordinates","199655","2020-10-21","18:00:00",""
"7228874","13.8296","0.0004","10.4308","0.0003","17.048","0.0008","90","","109.76","0.004","90","","2314.43","0.16","293","2","293","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C42 H46 Br2 Mn3 N4 O12 -","- C42 H46 Br2 Mn3 N4 O12 -","- C84 H92 Br4 Mn6 N8 O24 -","2","0.5","","Wei, Zhen; Zhang, Zong-Hui; Wang, Meng Meng; xu, ling; Liu, Bing; Jiao, Huan","Combination effect of ligand and ionic liquid components on the structure and property in manganese metal‒organic frameworks","CrystEngComm","2017","","","","","10.1039/C7CE01216K","","","0.71073","MoKα","","0.0569","0.0371","","","0.0907","0.1001","","","","","","1.024","","","","has coordinates","199655","2020-10-21","18:00:00",""
"7228875","13.5591","0.0003","10.4987","0.0002","16.6622","0.0005","90","","110.43","0.003","90","","2222.72","0.1","293","2","293","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C40 H42 Cl2 Mn3 N4 O12 -","- C40 H42 Cl2 Mn3 N4 O12 -","- C80 H84 Cl4 Mn6 N8 O24 -","2","0.5","","Wei, Zhen; Zhang, Zong-Hui; Wang, Meng Meng; xu, ling; Liu, Bing; Jiao, Huan","Combination effect of ligand and ionic liquid components on the structure and property in manganese metal‒organic frameworks","CrystEngComm","2017","","","","","10.1039/C7CE01216K","","","0.71073","MoKα","","0.0475","0.0378","","","0.1201","0.1275","","","","","","1.013","","","","has coordinates","199655","2020-10-21","18:00:00",""
"7228876","18.1886","0.001","21.2528","0.0009","16.2865","0.0007","90","","118.757","0.005","90","","5519.2","0.5","293","2","293","2","","","","","","","","5","C 1 2/m 1","-C 2y","12","","","","- C55 H45 Mn2 N6 O15 -","- C55 H45 Mn2 N6 O15 -","- C220 H180 Mn8 N24 O60 -","4","0.5","","Wei, Zhen; Zhang, Zong-Hui; Wang, Meng Meng; xu, ling; Liu, Bing; Jiao, Huan","Combination effect of ligand and ionic liquid components on the structure and property in manganese metal‒organic frameworks","CrystEngComm","2017","","","","","10.1039/C7CE01216K","","","0.71073","MoKα","","0.0985","0.0783","","","0.2078","0.2294","","","","","","1.027","","","","has coordinates,has disorder","199655","2020-10-21","18:00:00",""
"7228877","13.2885","0.0003","9.6523","0.0002","18.1669","0.0005","90","","109.574","0.003","90","","2195.51","0.1","293","2","293","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C38 H38 Cl2 Mn3 N4 O12 -","- C38 H38 Cl2 Mn3 N4 O12 -","- C76 H76 Cl4 Mn6 N8 O24 -","2","0.5","","Wei, Zhen; Zhang, Zong-Hui; Wang, Meng Meng; xu, ling; Liu, Bing; Jiao, Huan","Combination effect of ligand and ionic liquid components on the structure and property in manganese metal‒organic frameworks","CrystEngComm","2017","","","","","10.1039/C7CE01216K","","","0.71073","MoKα","","0.0452","0.037","","","0.107","0.1129","","","","","","1.026","","","","has coordinates","199655","2020-10-21","18:00:00",""
"7228878","18.2308","0.0007","17.8579","0.0006","18.6949","0.0006","90","","95.948","0.001","90","","6053.6","0.4","153","2","152.99","","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C68 H54 Mn3 N4 O16 -","- C68 H54 Mn3 N4 O16 -","- C272 H216 Mn12 N16 O64 -","4","0.5","","Wei, Zhen; Zhang, Zong-Hui; Wang, Meng Meng; xu, ling; Liu, Bing; Jiao, Huan","Combination effect of ligand and ionic liquid components on the structure and property in manganese metal‒organic frameworks","CrystEngComm","2017","","","","","10.1039/C7CE01216K","","","0.71073","MoKα","","0.0877","0.0787","","","0.1995","0.2074","","","","","","1.069","","","","has coordinates","199655","2020-10-21","18:00:00",""
"7228879","18.2596","0.0009","21.4975","0.0008","16.3016","0.0006","90","","118.718","0.004","90","","5611.9","0.5","293","2","293","2","","","","","","","","5","C 1 2/m 1","-C 2y","12","","","","- C61 H26 Mn2 N6 O15 -","- C61 H26 Mn2 N6 O15 -","- C244 H104 Mn8 N24 O60 -","4","0.5","","Wei, Zhen; Zhang, Zong-Hui; Wang, Meng Meng; xu, ling; Liu, Bing; Jiao, Huan","Combination effect of ligand and ionic liquid components on the structure and property in manganese metal‒organic frameworks","CrystEngComm","2017","","","","","10.1039/C7CE01216K","","","0.71073","MoKα","","0.0731","0.0588","","","0.1596","0.1716","","","","","","1.088","","","","has coordinates","199655","2020-10-21","18:00:00",""
"7228880","18.1583","0.0012","21.2584","0.0012","16.2295","0.0008","90","","118.484","0.006","90","","5506.5","0.6","293","2","293","2","","","","","","","","5","C 1 2/m 1","-C 2y","12","","","","- C58 H24 Mn2 N6 O15 -","- C58 H24 Mn2 N6 O15 -","- C232 H96 Mn8 N24 O60 -","4","0.5","","Wei, Zhen; Zhang, Zong-Hui; Wang, Meng Meng; xu, ling; Liu, Bing; Jiao, Huan","Combination effect of ligand and ionic liquid components on the structure and property in manganese metal‒organic frameworks","CrystEngComm","2017","","","","","10.1039/C7CE01216K","","","0.71073","MoKα","","0.092","0.0614","","","0.1589","0.1872","","","","","","1.012","","","","has coordinates","199655","2020-10-21","18:00:00",""
"7228881","13.5482","0.0004","15.5614","0.0005","27.8886","0.0009","102.937","0.001","92.19","0.001","112.373","0.001","5249.2","0.3","153","2","153.01","","","","","","","","","5","P -1","-P 1","2","","","","- C209 H170 Mn9 N12 O54 -","- C209 H170 Mn9 N12 O54 -","- C209 H170 Mn9 N12 O54 -","1","0.5","","Wei, Zhen; Zhang, Zong-Hui; Wang, Meng Meng; xu, ling; Liu, Bing; Jiao, Huan","Combination effect of ligand and ionic liquid components on the structure and property in manganese metal‒organic frameworks","CrystEngComm","2017","","","","","10.1039/C7CE01216K","","","0.71073","MoKα","","0.0811","0.0721","","","0.1981","0.2103","","","","","","1.009","","","","has coordinates","199655","2020-10-21","18:00:00",""
"7228882","24.2686","0.0005","10.8127","0.0002","29.2829","0.0007","90","","90","","90","","7684.1","0.3","292","2","292","2","","","","","","","","4","P b c n","-P 2n 2ab","60","","","","- C46 H40 N2 O3 -","- C46 H40 N2 O3 -","- C368 H320 N16 O24 -","8","1","","Xu, Ya-Lun; Fu, Ji-Ya; Liu, Chun-Hui; Ding, Tao","Synthesis of tetrasubstituted 1H-indazolo[1,2-b]phthalazinedione derivatives bearing three-dimensional turbine-type structures via domino reaction of phthalhydrazide and vinylketones","RSC Adv.","2017","7","61","38733","","10.1039/C7RA06856E","","","1.54184","CuKα","","0.0692","0.0515","","","0.1369","0.1515","","","","","","1.032","","","","has coordinates","199663","2020-10-21","18:00:00",""
"7228883","24.8728","0.0013","14.1665","0.0008","22.8202","0.0012","90","","97.374","0.002","90","","7974.4","0.7","273","2","273","2","","","","","","","","5","C 1 c 1","C -2yc","9","","","","- C48 H30 N12 O16 Pr2 -","- C48 H30 N12 O16 Pr2 -","- C192 H120 N48 O64 Pr8 -","4","1","","He, Hongming; Chen, Si-Hang; Zhang, De-Yu; Yang, En-Cui; Zhao, Xiao-Jun","A luminescent metal‒organic framework as an ideal chemosensor for nitroaromatic compounds","RSC Adv.","2017","7","62","38871","","10.1039/C7RA06320B","","","0.71073","MoKα","","0.0693","0.0507","","","0.1073","0.1181","","","","","","0.98","","","","has coordinates","199664","2020-10-21","18:00:00",""
"7228884","10.2796","0.0007","36.643","0.003","10.8918","0.0008","90","","90","","90","","4102.7","0.5","293","","293","","","","","","","","From Chonnam National University","4","P m m n :2","-P 2ab 2a","59","PST-5","aluminophosphate","","- C26.72 N6.68 O77.45 Si36 -","- C26.72 N6.68 O77.4458 Si36 -","- C53.44 N13.36 O154.892 Si72 -","2","0.25","","Chang, Shuai; Jang, Hoi-Gu; Lee, Kwan-Young; Cho, Sung June","Three-dimensional crystal structure of novel aluminophosphate PST-5 solved using a powder charge flipping method","RSC Adv.","2017","7","61","38631","","10.1039/C7RA05100J","powder diffraction","x-ray","1.4862","synchrotron","","0.0981","0.0981","","0.134","0.134","","","","5.12","","","","","","","has coordinates","199665","2020-10-21","18:00:00",""
"7228885","49.977","0.011","12.631","0.003","28.671","0.006","90","","101.55","0.01","90","","17732","7","113","2","113","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C149 H173 Er3 F54 N18 O30 -","- C149 H141 Er3 F54 N18 O30 -","- C596 H564 Er12 F216 N72 O120 -","4","0.5","","Lv, Xue-Hui; Yang, Shuai-Liang; Li, Yuan-Xia; Zhang, Chen-Xi; Wang, Qing-Lun","A family of lanthanide compounds based on nitronyl nitroxide radicals: synthesis, structure, magnetic and fluorescence properties","RSC Adv.","2017","7","61","38179","","10.1039/C7RA05764D","","","0.71073","MoKα","","0.0524","0.0504","","","0.1169","0.1182","","","","","","1.072","","","","has coordinates,has disorder","199696","2020-10-21","18:00:00",""
"7228886","49.926","0.003","12.6037","0.0005","28.6405","0.0016","90","","101.279","0.003","90","","17674","1.6","113","2","113","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C149 H173 F54 Gd3 N18 O30 -","- C149 H173 F54 Gd3 N18 O30 -","- C596 H692 F216 Gd12 N72 O120 -","4","0.5","","Lv, Xue-Hui; Yang, Shuai-Liang; Li, Yuan-Xia; Zhang, Chen-Xi; Wang, Qing-Lun","A family of lanthanide compounds based on nitronyl nitroxide radicals: synthesis, structure, magnetic and fluorescence properties","RSC Adv.","2017","7","61","38179","","10.1039/C7RA05764D","","","0.71075","MoKα","","0.0346","0.032","","","0.0784","0.08","","","","","","1.059","","","","has coordinates,has disorder","199696","2020-10-21","18:00:00",""
"7228887","50.575","0.006","12.6932","0.0012","28.871","0.003","90","","100.922","0.003","90","","18198","3","113","2","113","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C149 H173 F54 La3 N18 O30 -","- C149 H173 F54 La3 N18 O30 -","- C596 H692 F216 La12 N72 O120 -","4","0.5","","Lv, Xue-Hui; Yang, Shuai-Liang; Li, Yuan-Xia; Zhang, Chen-Xi; Wang, Qing-Lun","A family of lanthanide compounds based on nitronyl nitroxide radicals: synthesis, structure, magnetic and fluorescence properties","RSC Adv.","2017","7","61","38179","","10.1039/C7RA05764D","","","0.71073","MoKα","","0.0508","0.0468","","","0.1155","0.118","","","","","","1.143","","","","has coordinates,has disorder","199696","2020-10-21","18:00:00",""
"7228888","50.142","0.005","12.6433","0.0012","28.692","0.002","90","","101.271","0.003","90","","17839","3","113","2","113","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C149 H173 Eu3 F54 N18 O30 -","- C149 H173 Eu3 F54 N18 O30 -","- C596 H692 Eu12 F216 N72 O120 -","4","0.5","","Lv, Xue-Hui; Yang, Shuai-Liang; Li, Yuan-Xia; Zhang, Chen-Xi; Wang, Qing-Lun","A family of lanthanide compounds based on nitronyl nitroxide radicals: synthesis, structure, magnetic and fluorescence properties","RSC Adv.","2017","7","61","38179","","10.1039/C7RA05764D","","","0.71073","MoKα","","0.0407","0.0388","","","0.0887","0.0898","","","","","","1.118","","","","has coordinates,has disorder","199696","2020-10-21","18:00:00",""
"7228889","49.914","0.019","12.461","0.004","28.558","0.01","90","","101.821","0.008","90","","17386","11","113","2","113","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C135 H141 F54 N18 O30 Tb3 -","- C135 H141 F54 N18 O30 Tb3 -","- C540 H564 F216 N72 O120 Tb12 -","4","0.5","","Lv, Xue-Hui; Yang, Shuai-Liang; Li, Yuan-Xia; Zhang, Chen-Xi; Wang, Qing-Lun","A family of lanthanide compounds based on nitronyl nitroxide radicals: synthesis, structure, magnetic and fluorescence properties","RSC Adv.","2017","7","61","38179","","10.1039/C7RA05764D","","","0.71073","MoKα","","0.0511","0.0433","","","0.111","0.1164","","","","","","1.045","","","","has coordinates,has disorder","199696","2020-10-21","18:00:00",""
"7228890","12.661","0.0012","17.372","0.0015","24.491","0.002","90","","93.967","0.006","90","","5373.8","0.8","113","2","113","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C45 H47 Dy F18 N6 O10 -","- C45 H47 Dy F18 N6 O10 -","- C180 H188 Dy4 F72 N24 O40 -","4","1","","Lv, Xue-Hui; Yang, Shuai-Liang; Li, Yuan-Xia; Zhang, Chen-Xi; Wang, Qing-Lun","A family of lanthanide compounds based on nitronyl nitroxide radicals: synthesis, structure, magnetic and fluorescence properties","RSC Adv.","2017","7","61","38179","","10.1039/C7RA05764D","","","1.54187","CuKα","","0.0685","0.0587","","","0.1498","0.1682","","","","","","1.08","","","","has coordinates,has disorder","199696","2020-10-21","18:00:00",""
"7228891","8.809","0.0004","12.7998","0.0006","7.22","0.0003","90","","91.795","0.002","90","","813.68","0.06","100","2","100","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","2,5-bis(chloromethyl)-1,4-bis[9trifluoromethyl0sulfonyl]piperazine","","- C4 H5 Cl F3 N O2 S -","- C4 H5 Cl F3 N O2 S -","- C16 H20 Cl4 F12 N4 O8 S4 -","4","1","","Shainyan, B. A.; Astakhova, V. V.; Ganin, A. S.; Moskalik, M. Yu; Sterkhova, I. V.","Oxidative addition/cycloaddition of arenesulfonamides and triflamide to N-allyltriflamide and N,N-diallyltriflamide","RSC Adv.","2017","7","62","38951","","10.1039/C7RA05831D","","","0.71073","MoKα","","0.0314","0.0257","","","0.064","0.0671","","","","","","1.036","","","","has coordinates","199697","2020-10-21","18:00:00",""
"7228892","11.214","0.004","11.857","0.005","14.874","0.007","73.267","0.014","78.954","0.014","80.979","0.014","1848","1.4","100","2","100","2","","","","","","","","6","P -1","-P 1","2","","3,7,9-tris[(trifluoromethyl)sulfonyl]-3,7,9-triazabicyclo[3.3.1]nonane","","- C9 H10 F9 N3 O6 S3 -","- C9 H10 F9 N3 O6 S3 -","- C36 H40 F36 N12 O24 S12 -","4","2","","Shainyan, B. A.; Astakhova, V. V.; Ganin, A. S.; Moskalik, M. Yu; Sterkhova, I. V.","Oxidative addition/cycloaddition of arenesulfonamides and triflamide to N-allyltriflamide and N,N-diallyltriflamide","RSC Adv.","2017","7","62","38951","","10.1039/C7RA05831D","","","0.71073","MoKα","","0.1164","0.0792","","","0.2262","0.2648","","","","","","1.051","","","","has coordinates","202518","2020-10-21","18:00:00",""
"7228893","11.3052","0.0016","17.982","0.003","18.058","0.003","90","","100.155","0.005","90","","3613.5","1","100","2","100","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","3,7-diiodo-1,5-bis[(trifluoromethyl)sulfonyl]-1,5-diazocane","","- C8 H10 F6 I2 N2 O4 S2 -","- C8 H10 F6 I2 N2 O4 S2 -","- C64 H80 F48 I16 N16 O32 S16 -","8","2","","Shainyan, B. A.; Astakhova, V. V.; Ganin, A. S.; Moskalik, M. Yu; Sterkhova, I. V.","Oxidative addition/cycloaddition of arenesulfonamides and triflamide to N-allyltriflamide and N,N-diallyltriflamide","RSC Adv.","2017","7","62","38951","","10.1039/C7RA05831D","","","0.71073","MoKα","","0.0786","0.0431","","","0.0891","0.1031","","","","","","1.056","","","","has coordinates","199697","2020-10-21","18:00:00",""
"7228894","10.833","0.002","14.932","0.002","18.906","0.004","90","","90","","90","","3058.2","1","130","","130","","","","","","","","","5","F d d 2","F 2 -2d","43","","","","- C8 H4 F2 N8 O11 -","- C8 H4 F2 N8 O11 -","- C64 H32 F16 N64 O88 -","8","0.5","","Ma, Qing; Lu, Zhipeng; Liao, Longyu; Huang, Jinglun; Liu, Dabin; Li, Jinshan; Fan, Guijuan","5,6-Di(2-fluoro-2,2-dinitroethoxy)furazano[3,4-b]pyrazine: a high performance melt-cast energetic material and its polycrystalline properties","RSC Adv.","2017","7","62","38844","","10.1039/C7RA07035G","","","0.71073","MoKα","","0.0888","0.0386","","","0.0705","0.086","","","","","","0.955","","","","has coordinates","199698","2020-10-21","18:00:00",""
"7228895","11.0371","0.0013","13.1237","0.0016","10.6684","0.0012","90","","90","","90","","1545.3","0.3","293","2","293","2","","","","","","","","5","P c a 21","P 2c -2ac","29","","","","- C8 H4 F2 N8 O11 -","- C8 H4 F2 N8 O11 -","- C32 H16 F8 N32 O44 -","4","1","","Ma, Qing; Lu, Zhipeng; Liao, Longyu; Huang, Jinglun; Liu, Dabin; Li, Jinshan; Fan, Guijuan","5,6-Di(2-fluoro-2,2-dinitroethoxy)furazano[3,4-b]pyrazine: a high performance melt-cast energetic material and its polycrystalline properties","RSC Adv.","2017","7","62","38844","","10.1039/C7RA07035G","","","0.71073","MoKα","","0.0674","0.0615","","","0.1542","0.1593","","","","","","1.074","","","","has coordinates","199698","2020-10-21","18:00:00",""
"7228896","10.8387","0.0017","7.0582","0.0011","16.911","0.003","90","","90","","90","","1293.7","0.4","293","2","293","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C4 Cl2 N4 O -","- C4 Cl2 N4 O -","- C32 Cl16 N32 O8 -","8","1","","Ma, Qing; Lu, Zhipeng; Liao, Longyu; Huang, Jinglun; Liu, Dabin; Li, Jinshan; Fan, Guijuan","5,6-Di(2-fluoro-2,2-dinitroethoxy)furazano[3,4-b]pyrazine: a high performance melt-cast energetic material and its polycrystalline properties","RSC Adv.","2017","7","62","38844","","10.1039/C7RA07035G","","","0.71073","MoKα","","0.0386","0.0328","","","0.0783","0.0836","","","","","","1.077","","","","has coordinates","199698","2020-10-21","18:00:00",""
"7228897","10.9222","0.0018","13.057","0.002","10.5202","0.0017","90","","90","","90","","1500.3","0.4","130","","130","","","","","","","","","5","P c a 21","P 2c -2ac","29","","","","- C8 H4 F2 N8 O11 -","- C8 H4 F2 N8 O11 -","- C32 H16 F8 N32 O44 -","4","1","","Ma, Qing; Lu, Zhipeng; Liao, Longyu; Huang, Jinglun; Liu, Dabin; Li, Jinshan; Fan, Guijuan","5,6-Di(2-fluoro-2,2-dinitroethoxy)furazano[3,4-b]pyrazine: a high performance melt-cast energetic material and its polycrystalline properties","RSC Adv.","2017","7","62","38844","","10.1039/C7RA07035G","","","0.71073","MoKα","","0.0383","0.0322","","","0.0795","0.0828","","","","","","1.055","","","","has coordinates","199698","2020-10-21","18:00:00",""
"7228898","10.991","0.005","13.475","0.005","13.856","0.005","64.503","0.005","75.699","0.005","66.929","0.005","1696.5","1.2","298","2","298","2","","","","","","","","8","P -1","-P 1","2","Ru-Terpy-dimethyl bipy","Ru-Terpy-dimethyl bipy","","- C34 H29 Cl F6 N5 P Ru S -","- C34 H29 Cl F6 N5 P Ru S -","- C68 H58 Cl2 F12 N10 P2 Ru2 S2 -","2","1","","Dhiman, Rekha; Singh, Namita; Ugale, Bharat; Nagaraja, C. M.","Synthesis, crystal structure and water oxidation activity of [Ru(terpy)(bipy)Cl]+ complexes: influence of ancillary ligands on O2 generation","RSC Adv.","2017","7","62","39325","","10.1039/C7RA07186H","","","0.71073","MoKα","","0.0539","0.0395","","","0.0919","0.0989","","","","","","1.049","","","","has coordinates","199714","2020-10-21","18:00:00",""
"7228899","13.0582","0.0006","19.8028","0.0009","11.9764","0.0006","90","","97.347","0.002","90","","3071.5","0.3","298","2","298","2","","","","","","","","8","P 1 21/c 1","-P 2ybc","14","Ru-Terpy- bipy","Ru-Terpy-bipy","","- C32 H25 Cl F6 N5 P Ru S -","- C32 H25 Cl F6 N5 P Ru S -","- C128 H100 Cl4 F24 N20 P4 Ru4 S4 -","4","1","","Dhiman, Rekha; Singh, Namita; Ugale, Bharat; Nagaraja, C. M.","Synthesis, crystal structure and water oxidation activity of [Ru(terpy)(bipy)Cl]+ complexes: influence of ancillary ligands on O2 generation","RSC Adv.","2017","7","62","39325","","10.1039/C7RA07186H","","","0.71073","MoKα","","0.2014","0.0796","","","0.155","0.2026","","","","","","1.013","","","","has coordinates","199714","2020-10-21","18:00:00",""
"7228900","9.1901","0.0002","9.9832","0.0002","9.6509","0.0002","90","","115.463","0.001","90","","799.43","0.03","296","1","296","1","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C18 H14 N4 S2 -","- C18 H14 N4 S2 -","- C36 H28 N8 S4 -","2","0.5","","Meti, Puttavva; Gong, Young-Dae","2,6-Di(thiophenyl)-1,5-dihydrodipyrrolopyrazine (DT-DPP) structural isomers as donor‒acceptor‒donor molecules and their optoelectronic investigation","RSC Adv.","2017","7","62","39228","","10.1039/C7RA06270B","","","0.71073","MoKα","","0.0601","0.05","","","0.1389","0.1486","","","","","","1.054","","","","has coordinates,has disorder","199716","2020-10-21","18:00:00",""
"7228901","23.095","0.003","9.4325","0.0009","14.3653","0.0014","90","","114.589","0.003","90","","2845.6","0.5","150","","150","","","","","","","","","5","C 1 2 1","C 2y","5","","","","- C31 H34 Br N O3 -","- C31 H34 Br N O3 -","- C124 H136 Br4 N4 O12 -","4","1","","Zhang, Lili; Zhou, Xiao; Li, Pengfei; Liu, Zhantao; Liu, Yang; Sun, Yong; Li, Wenjun","Asymmetric synthesis of chromene skeletons via organocatalytic domino reactions of in situ generated ortho-quinone methide with malononitrile and β-functionalized ketone","RSC Adv.","2017","7","62","39216","","10.1039/C7RA08157J","","x-ray","0.71073","MoKα","","0.0742","0.0478","","","0.0875","0.0964","","","","","","1.057","","","","has coordinates","199717","2020-10-21","18:00:00",""
"7228902","10.441","0.0008","9.3621","0.0007","11.5467","0.0009","90","","93.816","0.002","90","","1126.18","0.15","170.03","","170.03","","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C24 H27 Br N2 O2 -","- C24 H27 Br N2 O2 -","- C48 H54 Br2 N4 O4 -","2","1","","Zhang, Lili; Zhou, Xiao; Li, Pengfei; Liu, Zhantao; Liu, Yang; Sun, Yong; Li, Wenjun","Asymmetric synthesis of chromene skeletons via organocatalytic domino reactions of in situ generated ortho-quinone methide with malononitrile and β-functionalized ketone","RSC Adv.","2017","7","62","39216","","10.1039/C7RA08157J","","","1.54178","CuKα","","0.0534","0.0533","","","0.1401","0.1402","","","","","","1.076","","","","has coordinates","199717","2020-10-21","18:00:00",""
"7228903","6.3918","0.0005","8.7724","0.0008","33.496","0.003","90","","90.306","0.005","90","","1878.1","0.3","296","2","296","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C26 H21 N O -","- C26 H21 N O -","- C104 H84 N4 O4 -","4","1","","Deb, Mohit L.; Pegu, Choitanya D.; Borpatra, Paran J.; Saikia, Prakash J.; Baruah, Pranjal K.","Catalyst-free multi-component cascade C‒H-functionalization in water using molecular oxygen: an approach to 1,3-oxazines","Green Chem.","2017","","","","","10.1039/C7GC01494E","","","0.71073","MoKα","","0.1232","0.0975","","","0.2735","0.2958","","","","","","0.828","","","","has coordinates","199759","2020-10-21","18:00:00",""
"7228904","6.657","0.003","8.652","0.003","9.708","0.003","90","","102.42","0.03","90","","546.1","0.4","293","2","293","2","","","","","","","","7","P 1 21 1","P 2yb","4","","","","- C6 H12 Er0.02 N O8 Y0.91 Yb0.07 -","- C6 H12 Er0.02 N O8 Y0.91 Yb0.07 -","- C12 H24 Er0.04 N2 O16 Y1.82 Yb0.14 -","2","1","","Ptak, Maciej; Pasińska, Katarzyna; Głuchowski, Paweł; Lukowiak, Anna; Ciupa, Aneta","Structural, optical and phonon properties of formate-based MOF phosphors with ethylammonium cation","Phys. Chem. Chem. Phys.","2017","","","","","10.1039/C7CP04005A","","x-ray","0.71073","MoKα","","0.024","0.0218","","","0.0493","0.0502","","","","","","1.095","","","","has coordinates","199766","2020-10-21","18:00:00",""
"7228905","6.61","0.003","8.599","0.003","9.656","0.003","90","","102.01","0.03","90","","536.8","0.4","293","2","293","2","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C6 H12 Er0.2 N O8 Yb0.8 -","- C6 H12 Er0.2 N O8 Yb0.8 -","- C12 H24 Er0.4 N2 O16 Yb1.6 -","2","1","","Ptak, Maciej; Pasińska, Katarzyna; Głuchowski, Paweł; Lukowiak, Anna; Ciupa, Aneta","Structural, optical and phonon properties of formate-based MOF phosphors with ethylammonium cation","Phys. Chem. Chem. Phys.","2017","","","","","10.1039/C7CP04005A","","","0.71073","MoKα","","0.0214","0.0184","","","0.0322","0.0331","","","","","","1.072","","","","has coordinates","199766","2020-10-21","18:00:00",""
"7228906","6.663","0.003","8.658","0.003","9.716","0.003","90","","102.45","0.03","90","","547.3","0.4","293","2","293","2","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C6 H12 Eu0.08 N O8 Y0.92 -","- C6 H12 Eu0.08 N O8 Y0.92 -","- C12 H24 Eu0.16 N2 O16 Y1.84 -","2","1","","Ptak, Maciej; Pasińska, Katarzyna; Głuchowski, Paweł; Lukowiak, Anna; Ciupa, Aneta","Structural, optical and phonon properties of formate-based MOF phosphors with ethylammonium cation","Phys. Chem. Chem. Phys.","2017","","","","","10.1039/C7CP04005A","","x-ray","0.71073","MoKα","","0.0226","0.0201","","","0.0447","0.0455","","","","","","1.073","","","","has coordinates","199766","2020-10-21","18:00:00",""
"7228907","8.203","0.006","8.789","0.006","11.91","0.008","77.318","0.009","89.18","0.01","68.802","0.009","779","0.9","296","2","296","2","","","","","","","","6","P -1","-P 1","2","","","","- C13 H17 Cl Cu N2 O6 -","- C13 H17 Cl Cu N2 O6 -","- C26 H34 Cl2 Cu2 N4 O12 -","2","1","","Feng, Yan Fang; Tang, Qi; Luo, Kai Liang; Wu, Ji Qing; Zhang, Zhong; Liang, Yuning; Liang, Fu Pei","Controllable assembly of Cu(II) coordination compounds based on a flexible zwitterionic benzimidazole-dicarboxylate ligand: Synthesis, structural diversity, reversible SCSC transformation and magnetic properties","CrystEngComm","2017","","","","","10.1039/C7CE01215B","","","0.71073","MoKα","","0.0574","0.0508","","","0.1531","0.1584","","","","","","1.023","","","","has coordinates","199788","2020-10-21","18:00:00",""
"7228908","11.7389","0.0003","11.7389","0.0003","13.314","0.0006","90","","90","","90","","1834.69","0.11","296","2","296","2","","","","","","","","5","P 42/m","-P 4c","84","","","","- C26 H40 Cu2 N6 O21 -","- C26 H40 Cu2 N6 O21 -","- C52 H80 Cu4 N12 O42 -","2","0.25","","Feng, Yan Fang; Tang, Qi; Luo, Kai Liang; Wu, Ji Qing; Zhang, Zhong; Liang, Yuning; Liang, Fu Pei","Controllable assembly of Cu(II) coordination compounds based on a flexible zwitterionic benzimidazole-dicarboxylate ligand: Synthesis, structural diversity, reversible SCSC transformation and magnetic properties","CrystEngComm","2017","","","","","10.1039/C7CE01215B","","","0.71073","MoKα","","0.0827","0.0615","","","0.1713","0.186","","","","","","1.097","","","","has coordinates","199788","2020-10-21","18:00:00",""
"7228909","7.1515","0.0019","8.865","0.002","11.362","0.003","104.209","0.004","97.479","0.004","102.373","0.003","669.2","0.3","296","2","296","2","","","","","","","","6","P -1","-P 1","2","","","","- C26 H28 Cl2 Cu N4 O8 -","- C26 H28 Cl2 Cu N4 O8 -","- C26 H28 Cl2 Cu N4 O8 -","1","0.5","","Feng, Yan Fang; Tang, Qi; Luo, Kai Liang; Wu, Ji Qing; Zhang, Zhong; Liang, Yuning; Liang, Fu Pei","Controllable assembly of Cu(II) coordination compounds based on a flexible zwitterionic benzimidazole-dicarboxylate ligand: Synthesis, structural diversity, reversible SCSC transformation and magnetic properties","CrystEngComm","2017","","","","","10.1039/C7CE01215B","","","0.71073","MoKα","","0.0333","0.0322","","","0.0876","0.0882","","","","","","1.026","","","","has coordinates","199788","2020-10-21","18:00:00",""
"7228910","11.2462","0.0015","11.0776","0.0008","12.0983","0.0009","90","","91.357","0.01","90","","1506.8","0.3","296","2","296","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C28 H29 Cu2 N7 O14 -","- C28 H29 Cu2 N7 O14 -","- C56 H58 Cu4 N14 O28 -","2","0.5","","Feng, Yan Fang; Tang, Qi; Luo, Kai Liang; Wu, Ji Qing; Zhang, Zhong; Liang, Yuning; Liang, Fu Pei","Controllable assembly of Cu(II) coordination compounds based on a flexible zwitterionic benzimidazole-dicarboxylate ligand: Synthesis, structural diversity, reversible SCSC transformation and magnetic properties","CrystEngComm","2017","","","","","10.1039/C7CE01215B","","","0.71073","MoKα","","0.1008","0.0555","","","0.0945","0.1089","","","","","","1.015","","","","has coordinates","199788","2020-10-21","18:00:00",""
"7228911","8.3896","0.0002","16.1281","0.0004","11.9938","0.0002","90","","99.673","0.002","90","","1599.79","0.06","296","2","296","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C26 H30 Cl2 Cu2 N4 O18 -","- C26 H30 Cl2 Cu2 N4 O18 -","- C52 H60 Cl4 Cu4 N8 O36 -","2","0.5","","Feng, Yan Fang; Tang, Qi; Luo, Kai Liang; Wu, Ji Qing; Zhang, Zhong; Liang, Yuning; Liang, Fu Pei","Controllable assembly of Cu(II) coordination compounds based on a flexible zwitterionic benzimidazole-dicarboxylate ligand: Synthesis, structural diversity, reversible SCSC transformation and magnetic properties","CrystEngComm","2017","","","","","10.1039/C7CE01215B","","","0.71073","MoKα","","0.0473","0.0407","","","0.1319","0.1377","","","","","","1.034","","","","has coordinates","199788","2020-10-21","18:00:00",""
"7228912","9.059","0.005","14.377","0.009","14.816","0.009","64.669","0.01","84.588","0.01","86.721","0.01","1736","1.8","296","2","296","2","","","","","","","","5","P -1","-P 1","2","","","","- C52 H78 Cu4 N10 O36 -","- C52 H78 Cu4 N10 O36 -","- C52 H78 Cu4 N10 O36 -","1","0.5","","Feng, Yan Fang; Tang, Qi; Luo, Kai Liang; Wu, Ji Qing; Zhang, Zhong; Liang, Yuning; Liang, Fu Pei","Controllable assembly of Cu(II) coordination compounds based on a flexible zwitterionic benzimidazole-dicarboxylate ligand: Synthesis, structural diversity, reversible SCSC transformation and magnetic properties","CrystEngComm","2017","","","","","10.1039/C7CE01215B","","","0.71073","MoKα","","0.0846","0.0574","","","0.1615","0.1768","","","","","","1.021","","","","has coordinates","199788","2020-10-21","18:00:00",""
"7228913","7.198","0.0014","13.3019","0.0019","21.4837","0.0019","92.462","0.009","94.959","0.011","102.228","0.014","1998.8","0.5","296","2","296","2","","","","","","","","6","P -1","-P 1","2","","","","- C26 H52 Cu2 N4 O25 S -","- C26 H52 Cu2 N4 O25 S -","- C52 H104 Cu4 N8 O50 S2 -","2","1","","Feng, Yan Fang; Tang, Qi; Luo, Kai Liang; Wu, Ji Qing; Zhang, Zhong; Liang, Yuning; Liang, Fu Pei","Controllable assembly of Cu(II) coordination compounds based on a flexible zwitterionic benzimidazole-dicarboxylate ligand: Synthesis, structural diversity, reversible SCSC transformation and magnetic properties","CrystEngComm","2017","","","","","10.1039/C7CE01215B","","","0.71073","MoKα","","0.058","0.0429","","","0.1065","0.1163","","","","","","1.054","","","","has coordinates","199788","2020-10-21","18:00:00",""
"7228914","9.213","0.002","9.467","0.002","9.476","0.002","87.455","0.004","78.051","0.003","65.434","0.003","734.6","0.3","296","2","296","2","","","","","","","","6","P -1","-P 1","2","","","","- C26 H30 Cl2 Cu2 N4 O10 -","- C26 H30 Cl2 Cu2 N4 O10 -","- C26 H30 Cl2 Cu2 N4 O10 -","1","0.5","","Feng, Yan Fang; Tang, Qi; Luo, Kai Liang; Wu, Ji Qing; Zhang, Zhong; Liang, Yuning; Liang, Fu Pei","Controllable assembly of Cu(II) coordination compounds based on a flexible zwitterionic benzimidazole-dicarboxylate ligand: Synthesis, structural diversity, reversible SCSC transformation and magnetic properties","CrystEngComm","2017","","","","","10.1039/C7CE01215B","","","0.71073","MoKα","","0.0266","0.0254","","","0.0742","0.075","","","","","","1.061","","","","has coordinates","199788","2020-10-21","18:00:00",""
"7228915","6.4276","0.0011","10.5808","0.0018","11.242","0.002","93.317","0.002","93.708","0.002","91.807","0.002","761.2","0.2","296","2","296","2","","","","","","","","5","P -1","-P 1","2","","","","- C13 H15 Cu N3 O8 -","- C13 H15 Cu N3 O8 -","- C26 H30 Cu2 N6 O16 -","2","1","","Feng, Yan Fang; Tang, Qi; Luo, Kai Liang; Wu, Ji Qing; Zhang, Zhong; Liang, Yuning; Liang, Fu Pei","Controllable assembly of Cu(II) coordination compounds based on a flexible zwitterionic benzimidazole-dicarboxylate ligand: Synthesis, structural diversity, reversible SCSC transformation and magnetic properties","CrystEngComm","2017","","","","","10.1039/C7CE01215B","","","0.71073","MoKα","","0.0366","0.0341","","","0.0949","0.0965","","","","","","1.07","","","","has coordinates","199788","2020-10-21","18:00:00",""
"7228916","14.96763","0.00011","15.13591","0.00011","12.96566","0.0001","90","","98.955","0.0007","90","","2901.55","0.04","120","2","120","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","N2,N6-bis(2-(2-nitrobenzamido)phenyl)pyridine-2,6-dicarboxamide","","","- C33 H23 N7 O8 -","- C33 H23 N7 O8 -","- C132 H92 N28 O32 -","4","1","","Helttunen, Kaisa; Annala, Riia; Suhonen, Aku; Nauha, Elisa; Linnanto, Juha; Nissinen, Maija","Supramolecular chirality and symmetry breaking of fluoride complexes of achiral foldamers","CrystEngComm","2017","","","","","10.1039/C7CE01109A","","x-ray","1.54184","CuKα","","0.0383","0.0341","","","0.0888","0.0924","","","","","","1.044","","","","has coordinates","199805","2020-10-21","18:00:00",""
"7228917","8.94745","0.00005","15.10359","0.00011","14.92421","0.00009","90","","106.155","0.0006","90","","1937.19","0.02","123","2","123","2","","","","","","","","5","P 1 21/m 1","-P 2yb","11","N2-(2-benzamidophenyl)-N6-phenylpyridine-2,6-dicarboxamide tetra-butyl ammonium fluoride complex","","","- C42 H56 F N5 O3 -","- C42 H56 F N5 O3 -","- C84 H112 F2 N10 O6 -","2","0.5","","Helttunen, Kaisa; Annala, Riia; Suhonen, Aku; Nauha, Elisa; Linnanto, Juha; Nissinen, Maija","Supramolecular chirality and symmetry breaking of fluoride complexes of achiral foldamers","CrystEngComm","2017","","","","","10.1039/C7CE01109A","","","1.54184","CuKα","","0.0398","0.0378","","","0.1005","0.1027","","","","","","1.004","","","","has coordinates,has disorder","199805","2020-10-21","18:00:00",""
"7228918","13.9902","0.0003","34.5843","0.001","21.6729","0.0005","90","","102.757","0.002","90","","10227.4","0.4","173","2","173","2","","","","","","","","5","P 1 21 1","P 2yb","4","N1,N3-bis(2-benzamidophenyl)isophthalamide tetra-butyl ammonium fluoride complex","","","- C53 H69 F N6 O5 -","- C53 H69 F N6 O5 -","- C424 H552 F8 N48 O40 -","8","4","","Helttunen, Kaisa; Annala, Riia; Suhonen, Aku; Nauha, Elisa; Linnanto, Juha; Nissinen, Maija","Supramolecular chirality and symmetry breaking of fluoride complexes of achiral foldamers","CrystEngComm","2017","","","","","10.1039/C7CE01109A","","","1.54178","CuKα","","0.2572","0.117","","","0.2164","0.289","","","","","","1.038","","","","has coordinates","199805","2020-10-21","18:00:00",""
"7228919","7.4377","0.0004","7.7862","0.0004","11.4106","0.0008","75.345","0.006","77.944","0.006","65.998","0.006","579.81","0.07","123","2","123","2","","","","","","","","4","P -1","-P 1","2","N-(2-aminophenyl)-2-nitrobenzamide","","","- C13 H11 N3 O3 -","- C13 H11 N3 O3 -","- C26 H22 N6 O6 -","2","1","","Helttunen, Kaisa; Annala, Riia; Suhonen, Aku; Nauha, Elisa; Linnanto, Juha; Nissinen, Maija","Supramolecular chirality and symmetry breaking of fluoride complexes of achiral foldamers","CrystEngComm","2017","","","","","10.1039/C7CE01109A","","x-ray","1.54184","CuKα","","0.0478","0.0413","","","0.1119","0.1152","","","","","","1.02","","","","has coordinates","199805","2020-10-21","18:00:00",""
"7228920","19.61921","0.00015","8.74681","0.00005","27.9462","0.0002","90","","90","","90","","4795.72","0.06","120","2","120","2","","","","","","","","5","P c a 21","P 2c -2ac","29","N2,N6-bis(2-(2-nitrobenzamido)phenyl)pyridine-2,6-dicarboxamide tetra-butyl ammonium fluoride complex","","","- C49 H59 F N8 O8 -","- C49 H59 F N8 O8 -","- C196 H236 F4 N32 O32 -","4","1","","Helttunen, Kaisa; Annala, Riia; Suhonen, Aku; Nauha, Elisa; Linnanto, Juha; Nissinen, Maija","Supramolecular chirality and symmetry breaking of fluoride complexes of achiral foldamers","CrystEngComm","2017","","","","","10.1039/C7CE01109A","","","1.54184","CuKα","","0.0425","0.0418","","","0.121","0.1219","","","","","","1.06","","","","has coordinates,has disorder","199805","2020-10-21","18:00:00",""
"7228921","16.80152","0.00014","26.0097","0.0003","22.2194","0.0002","90","","108.608","0.001","90","","9202.31","0.16","123","2","123","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","N2-(2-benzamidophenyl)-N6-(2-(4-cyanobenzamido)phenyl)pyridine-2,6-dicarboxamide tetra-butyl ammonium fluoride complex","","","- C100 H120.4 F2 N14 O8.2 -","- C100 H120 F2 N14 O8.2 -","- C400 H480 F8 N56 O32.8 -","4","1","","Helttunen, Kaisa; Annala, Riia; Suhonen, Aku; Nauha, Elisa; Linnanto, Juha; Nissinen, Maija","Supramolecular chirality and symmetry breaking of fluoride complexes of achiral foldamers","CrystEngComm","2017","","","","","10.1039/C7CE01109A","","x-ray","1.54184","CuKα","","0.0774","0.0686","","","0.1747","0.1804","","","","","","1.096","","","","has coordinates,has disorder","199805","2020-10-21","18:00:00",""
"7228922","11.16653","0.00006","16.03601","0.0001","24.54325","0.00015","90","","90","","90","","4394.88","0.05","123.01","0.1","123.01","0.1","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","N2,N6-bis(2-benzamidophenyl)pyridine-2,6-dicarboxamide tetra-butyl ammonium fluoride complex","","","- C49 H61 F N6 O4 -","- C49 H61 F N6 O4 -","- C196 H244 F4 N24 O16 -","4","1","","Helttunen, Kaisa; Annala, Riia; Suhonen, Aku; Nauha, Elisa; Linnanto, Juha; Nissinen, Maija","Supramolecular chirality and symmetry breaking of fluoride complexes of achiral foldamers","CrystEngComm","2017","","","","","10.1039/C7CE01109A","","","1.54184","CuKα","","0.033","0.032","","","0.084","0.085","","","","","","1.02","","","","has coordinates","199805","2020-10-21","18:00:00",""
"7228923","19.7472","0.0009","11.8235","0.0006","16.8496","0.0006","90","","92.177","0.004","90","","3931.2","0.3","120","2","120","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","N2-(2-aminophenyl)-N6-(2-benzamidophenyl)pyridine-2,6-dicarboxamide tetra-butyl ammonium fluoride complex","","","- C42 H57 F N6 O3 -","- C42 H57 F N6 O3 -","- C168 H228 F4 N24 O12 -","4","1","","Helttunen, Kaisa; Annala, Riia; Suhonen, Aku; Nauha, Elisa; Linnanto, Juha; Nissinen, Maija","Supramolecular chirality and symmetry breaking of fluoride complexes of achiral foldamers","CrystEngComm","2017","","","","","10.1039/C7CE01109A","","","1.54184","CuKα","","0.0684","0.0514","","","0.1332","0.1469","","","","","","1.024","","","","has coordinates","199805","2020-10-21","18:00:00",""
"7228924","7.4735","0.0001","11.8551","0.0002","42.384","0.003","90","","90","","90","","3755.2","0.3","293","2","293","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C18 H22 N2 O5 S2 -","- C18 H22 N2 O5 S2 -","- C144 H176 N16 O40 S16 -","8","1","","Nguyen, Le Anh; Ngo, Anh Quoc; Retailleau, Pascal; Nguyen, Thanh Binh","Elemental Sulfur as Polyvalent Reagent in Redox Condensation with o-Chloronitrobenzenes and Benzaldehydes: Three-Component Access to 2-Arylbenzothiazoles","Green Chem.","2017","","","","","10.1039/C7GC01825H","","","1.54187","CuKα","","0.0888","0.0472","","","0.1051","0.1523","","","","","","1.138","","","","has coordinates","199808","2020-10-21","18:00:00",""
"7228926","9.1034","0.0012","10.3247","0.0015","15.994","0.002","77.627","0.01","89.947","0.012","79.95","0.01","1444.8","0.3","103","2","103","2","","","","","","","","5","P -1","-P 1","2","","","","- C32 H29 F4 I N4 -","- C32 H29 F4 I N4 -","- C64 H58 F8 I2 N8 -","2","1","","Vapaavuori, Jaana; Siiskonen, Antti; Dichiarante, Valentina; Forni, Alessandra; Saccone, Marco; Pilati, Tullio; Pellerin, Christian; Shishido, Atsushi; Metrangolo, Pierangelo; Priimagi, Arri","Supramolecular control of liquid crystals by doping with halogen-bonding dyes","RSC Adv.","2017","7","64","40237","","10.1039/C7RA06397K","","","0.71073","MoKα","","0.0679","0.0487","","","0.1087","0.1182","","","","","","1.037","","","","has coordinates,has disorder","199811","2020-10-21","18:00:00",""
"7228927","5.4013","0.0008","8.2636","0.0013","17.057","0.003","90","","98.759","0.002","90","","752.4","0.2","100","2","100","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C16 H14 Br N O5 -","- C16 H14 Br N O5 -","- C32 H28 Br2 N2 O10 -","2","1","","Zhou, Jing; Bai, Lijuan; Liang, Guojuan; Chen, Yongjie; Gan, Zongjie; Wang, Wu; Zhou, Hui; Yu, Yu","Organocatalytic asymmetric domino Michael/O-alkylation reaction for the construction of succinimide substituted 3(2H)-furanones catalyzed by quinine","RSC Adv.","2017","7","63","39885","","10.1039/C7RA07317H","","","0.71073","MoKα","","0.0536","0.0505","","","0.1446","0.1472","","","","","","1.044","","","","has coordinates","199812","2020-10-21","18:00:00",""
"7228928","10.2637","0.0011","12.3231","0.0014","12.7383","0.0014","97.156","0.001","107.733","0.001","112.991","0.001","1357.1","0.3","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C25 H28 N4 O6 S2 -","- C25 H28 N4 O6 S2 -","- C50 H56 N8 O12 S4 -","2","1","","Du, Xuan-Xuan; Huang, Rong; Yang, Chang-Long; Lin, Jun; Yan, Sheng-Jiao","Synthesis and evaluation of the antitumor activity of highly functionalised pyridin-2-ones and pyrimidin-4-ones","RSC Adv.","2017","7","64","40067","","10.1039/C7RA06466G","","","0.71073","MoKα","","0.0834","0.0516","","","0.1439","0.1688","","","","","","1.052","","","","has coordinates","199813","2020-10-21","18:00:00",""
"7228929","5.033","0.004","14.483","0.012","19.14","0.016","90","","96.932","0.01","90","","1385","2","293","2","293","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C11 H14 N4 O3 S -","- C11 H14 N4 O3 S -","- C44 H56 N16 O12 S4 -","4","1","","Du, Xuan-Xuan; Huang, Rong; Yang, Chang-Long; Lin, Jun; Yan, Sheng-Jiao","Synthesis and evaluation of the antitumor activity of highly functionalised pyridin-2-ones and pyrimidin-4-ones","RSC Adv.","2017","7","64","40067","","10.1039/C7RA06466G","","","0.71073","MoKα","","0.098","0.0669","","","0.2032","0.228","","","","","","1.063","","","","has coordinates","199813","2020-10-21","18:00:00",""
"7228930","7.92","0.003","7.92","0.003","19.588","0.004","90","","90","","90","","1228.7","0.7","170","","170","","","","","","","","","4","I 41/a m d","-I 4bd 2","141","","","","- C6 H7 N O -","- C6 H7 N O -","- C48 H56 N8 O8 -","8","","","Topić, Filip; Puttreddy, Rakesh; Rautiainen, J. Mikko; Tuononen, Heikki M.; Rissanen, Kari","Tridentate C‒I⋯O−‒N+ halogen bonds","CrystEngComm","2017","","","","","10.1039/C7CE01381G","","","0.71073","MoKα","","0.1579","0.0571","","","0.1212","0.1644","","","","","","1.007","","","","has coordinates,has disorder","199831","2020-10-21","18:00:00",""
"7228931","12.6238","0.0003","11.3737","0.0003","21.9526","0.0004","90","","105.404","0.0015","90","","3038.72","0.12","170","0.1","170","0.1","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C32.4 H26 F28.8 I7.2 N2 O2 -","- C32.3984 H26 F28.7968 I7.1992 N2 O2 -","- C64.7968 H52 F57.5936 I14.3984 N4 O4 -","2","0.5","","Topić, Filip; Puttreddy, Rakesh; Rautiainen, J. Mikko; Tuononen, Heikki M.; Rissanen, Kari","Tridentate C‒I⋯O−‒N+ halogen bonds","CrystEngComm","2017","","","","","10.1039/C7CE01381G","","","0.71073","MoKα","","0.0711","0.0581","","","0.1622","0.1726","","","","","","1.045","","","","has coordinates,has disorder","199831","2020-10-21","18:00:00",""
"7228932","15.826","0.001","19.3955","0.0008","13.3936","0.0006","90","","90.345","0.005","90","","4111.1","0.4","123","0.1","123","0.1","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C11 H9 F8 I4 N O -","- C11 H9 F8 I4 N O -","- C88 H72 F64 I32 N8 O8 -","8","2","","Topić, Filip; Puttreddy, Rakesh; Rautiainen, J. Mikko; Tuononen, Heikki M.; Rissanen, Kari","Tridentate C‒I⋯O−‒N+ halogen bonds","CrystEngComm","2017","","","","","10.1039/C7CE01381G","","x-ray","0.71073","MoKα","","0.0478","0.0394","","","0.0925","0.1025","","","","","","1.085","","","","has coordinates,has disorder","199831","2020-10-21","18:00:00",""
"7228933","20.8752","0.0005","11.2667","0.0002","28.8275","0.0007","90","","108.327","0.003","90","","6436.2","0.3","123","0.1","123","0.1","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C29 H27 F40 I10 N3 O3 -","- C29 H27 F40 I10 N3 O3 -","- C116 H108 F160 I40 N12 O12 -","4","1","","Topić, Filip; Puttreddy, Rakesh; Rautiainen, J. Mikko; Tuononen, Heikki M.; Rissanen, Kari","Tridentate C‒I⋯O−‒N+ halogen bonds","CrystEngComm","2017","","","","","10.1039/C7CE01381G","","x-ray","0.71073","MoKα","","0.0336","0.0274","","","0.0503","0.0522","","","","","","1.123","","","","has coordinates,has disorder","199831","2020-10-21","18:00:00",""
"7228934","16.0396","0.0005","18.4264","0.0004","20.1968","0.0006","90","","90","","90","","5969.2","0.3","123","0.1","123","0.1","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C10 H7 F8 I4 N O -","- C10 H7 F8 I4 N O -","- C120 H84 F96 I48 N12 O12 -","12","3","","Topić, Filip; Puttreddy, Rakesh; Rautiainen, J. Mikko; Tuononen, Heikki M.; Rissanen, Kari","Tridentate C‒I⋯O−‒N+ halogen bonds","CrystEngComm","2017","","","","","10.1039/C7CE01381G","","x-ray","0.71073","MoKα","","0.0795","0.0576","","","0.1068","0.1187","","","","","","1.168","","","","has coordinates,has disorder","199831","2020-10-21","18:00:00",""
"7228935","22.377","0.004","12.44","0.002","26.896","0.007","90","","111.367","0.003","90","","6972","2","223","2","223","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C44 H88 Cl Ho N26 O38 -","- C44 H48 Cl Ho N26 O28 -","- C176 H192 Cl4 Ho4 N104 O112 -","4","0.5","","Shen, Fang-Fang; Chen, Kai; Hua, Zi-Yi; Wang, Yuan; Xu, Jing; Chen, Mindong; Zhang, Yun-Qian; Tao, Zhu","Adducts of aqua complexes of Ln3+ with a di-hydroxylated symmetrical octamethyl-substituted cucurbituril: potential applications for isolation of heavier lanthanides","CrystEngComm","2017","","","","","10.1039/C7CE01365E","","","0.71073","MoKα","","0.0659","0.0592","","","0.1528","0.1577","","","","","","1.06","","","","has coordinates,has disorder","199843","2020-10-21","18:00:00",""
"7228936","22.215","0.005","12.391","0.005","14.675","0.005","90","","108.468","0.005","90","","3831","2","223","2","223","2","","","","","","","","6","C 1 2/m 1","-C 2y","12","","","","- C44 H88 Cl3 N24 O32 Tb -","- C44 H52 Cl3 N24 O22 Tb -","- C88 H104 Cl6 N48 O44 Tb2 -","2","0.25","","Shen, Fang-Fang; Chen, Kai; Hua, Zi-Yi; Wang, Yuan; Xu, Jing; Chen, Mindong; Zhang, Yun-Qian; Tao, Zhu","Adducts of aqua complexes of Ln3+ with a di-hydroxylated symmetrical octamethyl-substituted cucurbituril: potential applications for isolation of heavier lanthanides","CrystEngComm","2017","","","","","10.1039/C7CE01365E","","","0.71069","MoKα","","0.0515","0.0504","","","0.146","0.1479","","","","","","1.133","","","","has coordinates,has disorder","199843","2020-10-21","18:00:00",""
"7228937","22.19","0.002","12.2997","0.0012","14.6385","0.0015","90","","108.175","0.003","90","","3796","0.6","223","2","223","2","","","","","","","","6","C 1 2/m 1","-C 2y","12","","","","- C44 H90 Cl3 Dy N24 O33 -","- C44 H50 Cl3 Dy N24 O22 -","- C88 H100 Cl6 Dy2 N48 O44 -","2","0.25","","Shen, Fang-Fang; Chen, Kai; Hua, Zi-Yi; Wang, Yuan; Xu, Jing; Chen, Mindong; Zhang, Yun-Qian; Tao, Zhu","Adducts of aqua complexes of Ln3+ with a di-hydroxylated symmetrical octamethyl-substituted cucurbituril: potential applications for isolation of heavier lanthanides","CrystEngComm","2017","","","","","10.1039/C7CE01365E","","","0.71073","MoKα","","0.0491","0.0466","","","0.136","0.1391","","","","","","1.095","","","","has coordinates,has disorder","199843","2020-10-21","18:00:00",""
"7228938","22.377","0.011","12.519","0.006","14.991","0.007","90","","108.19","0.01","90","","3990","3","223","2","223","2","","","","","","","","6","C 1 2/m 1","-C 2y","12","","","","- C44 H104 Cl3 Eu N24 O40 -","- C44 H54 Cl3 Eu N24 O22 -","- C88 H108 Cl6 Eu2 N48 O44 -","2","0.25","","Shen, Fang-Fang; Chen, Kai; Hua, Zi-Yi; Wang, Yuan; Xu, Jing; Chen, Mindong; Zhang, Yun-Qian; Tao, Zhu","Adducts of aqua complexes of Ln3+ with a di-hydroxylated symmetrical octamethyl-substituted cucurbituril: potential applications for isolation of heavier lanthanides","CrystEngComm","2017","","","","","10.1039/C7CE01365E","","","0.71073","MoKα","","0.0654","0.0559","","","0.1418","0.1484","","","","","","1.042","","","","has coordinates,has disorder","199843","2020-10-21","18:00:00",""
"7228939","22.2","0.02","12.287","0.013","26.75","0.03","90","","111.489","0.017","90","","6789","12","223","2","223","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C44 H86 Cl Lu N26 O37 -","- C44 H48 Cl Lu N26 O28 -","- C176 H192 Cl4 Lu4 N104 O112 -","4","0.5","","Shen, Fang-Fang; Chen, Kai; Hua, Zi-Yi; Wang, Yuan; Xu, Jing; Chen, Mindong; Zhang, Yun-Qian; Tao, Zhu","Adducts of aqua complexes of Ln3+ with a di-hydroxylated symmetrical octamethyl-substituted cucurbituril: potential applications for isolation of heavier lanthanides","CrystEngComm","2017","","","","","10.1039/C7CE01365E","","","0.71073","MoKα","","0.0665","0.051","","","0.1347","0.1445","","","","","","1.027","","","","has coordinates,has disorder","199843","2020-10-21","18:00:00",""
"7228940","22.267","0.002","12.3118","0.0011","14.6937","0.0014","90","","108.292","0.003","90","","3824.7","0.6","223","2","223","2","","","","","","","","6","C 1 2/m 1","-C 2y","12","","","","- C44 H106 Cl3 N24 O41 Tm -","- C44 H52 Cl3 N24 O22 Tm -","- C88 H104 Cl6 N48 O44 Tm2 -","2","0.25","","Shen, Fang-Fang; Chen, Kai; Hua, Zi-Yi; Wang, Yuan; Xu, Jing; Chen, Mindong; Zhang, Yun-Qian; Tao, Zhu","Adducts of aqua complexes of Ln3+ with a di-hydroxylated symmetrical octamethyl-substituted cucurbituril: potential applications for isolation of heavier lanthanides","CrystEngComm","2017","","","","","10.1039/C7CE01365E","","","0.71073","MoKα","","0.0556","0.0509","","","0.127","0.1304","","","","","","1.081","","","","has coordinates,has disorder","199843","2020-10-21","18:00:00",""
"7228941","22.449","0.018","12.43","0.01","26.83","0.02","90","","112.018","0.011","90","","6941","9","223","2","223","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C44 H82 Cl Er N26 O35 -","- C44 H48 Cl Er N26 O28 -","- C176 H192 Cl4 Er4 N104 O112 -","4","0.5","","Shen, Fang-Fang; Chen, Kai; Hua, Zi-Yi; Wang, Yuan; Xu, Jing; Chen, Mindong; Zhang, Yun-Qian; Tao, Zhu","Adducts of aqua complexes of Ln3+ with a di-hydroxylated symmetrical octamethyl-substituted cucurbituril: potential applications for isolation of heavier lanthanides","CrystEngComm","2017","","","","","10.1039/C7CE01365E","","","0.71073","MoKα","","0.0615","0.0563","","","0.1735","0.1842","","","","","","1.123","","","","has coordinates,has disorder","199843","2020-10-21","18:00:00",""
"7228942","22.245","0.003","12.3258","0.0013","14.7424","0.0019","90","","108.334","0.004","90","","3837","0.8","296","2","296","2","","","","","","","","6","C 1 2/m 1","-C 2y","12","","","","- C44 H106 Cl3 N24 O41 Yb -","- C44 H52 Cl3 N24 O22 Yb -","- C88 H104 Cl6 N48 O44 Yb2 -","2","0.25","","Shen, Fang-Fang; Chen, Kai; Hua, Zi-Yi; Wang, Yuan; Xu, Jing; Chen, Mindong; Zhang, Yun-Qian; Tao, Zhu","Adducts of aqua complexes of Ln3+ with a di-hydroxylated symmetrical octamethyl-substituted cucurbituril: potential applications for isolation of heavier lanthanides","CrystEngComm","2017","","","","","10.1039/C7CE01365E","","","0.71073","MoKα","","0.0763","0.0576","","","0.133","0.1401","","","","","","1.032","","","","has coordinates,has disorder","199843","2020-10-21","18:00:00",""
"7228943","22.316","0.005","12.427","0.003","26.976","0.006","90","","112.573","0.005","90","","6908","3","223","2","223","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C44 H84 Cl Gd N26 O36 -","- C44 H48 Cl Gd N26 O28 -","- C176 H192 Cl4 Gd4 N104 O112 -","4","0.5","","Shen, Fang-Fang; Chen, Kai; Hua, Zi-Yi; Wang, Yuan; Xu, Jing; Chen, Mindong; Zhang, Yun-Qian; Tao, Zhu","Adducts of aqua complexes of Ln3+ with a di-hydroxylated symmetrical octamethyl-substituted cucurbituril: potential applications for isolation of heavier lanthanides","CrystEngComm","2017","","","","","10.1039/C7CE01365E","","","0.71073","MoKα","","0.1145","0.0983","","","0.2462","0.2541","","","","","","1.125","","","","has coordinates,has disorder","199843","2020-10-21","18:00:00",""
"7228944","8.954","0.0004","8.9365","0.0005","10.4047","0.0005","90","","99.97","0.003","90","","819.98","0.07","296","","296.15","","","","","","","","","4","P 1 21 1","P 2yb","4","","(3aR,5aR,7aS,E)-2,3a,6,6-tetramethyl-3a,4,5,5a,6,7,7a,9,10,10a-decahydro-8H-cyclobuta[6,7]cyclonona[1,2-d]oxazol-8-one oxime","","- C16 H26 N2 O2 -","- C16 H26 N2 O2 -","- C32 H52 N4 O4 -","2","1","","Ma, Shuang-Jiang; Yu, Jie; Fan, Hua-Fang; Li, Zi-Han; Zhang, An-Ling; Zhang, Qiang","Exploring sesquiterpene alkaloid-like scaffolds via Beckmann-transannular remodelling of beta-caryophyllene","RSC Adv.","2017","7","64","40510","","10.1039/C7RA08196K","","","","","","0.04","0.0338","","","0.0923","0.0944","","","","","","1.056","","","","has coordinates","199851","2020-10-21","18:00:00",""
"7228945","8.1257","0.0008","10.335","0.001","16.0543","0.0015","90","","90","","90","","1348.2","0.2","293","","296.15","","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","MSJ42-11","","- C14 H23 N O2 -","- C14 H23 N O2 -","- C56 H92 N4 O8 -","4","1","","Ma, Shuang-Jiang; Yu, Jie; Fan, Hua-Fang; Li, Zi-Han; Zhang, An-Ling; Zhang, Qiang","Exploring sesquiterpene alkaloid-like scaffolds via Beckmann-transannular remodelling of beta-caryophyllene","RSC Adv.","2017","7","64","40510","","10.1039/C7RA08196K","","","1.54184","CuKα","","0.0422","0.0412","","","0.1187","0.1199","","","","","","1.083","","","","has coordinates","199851","2020-10-21","18:00:00",""
"7228946","11.706","0.003","24.308","0.007","31.08","0.009","90","","95.568","0.005","90","","8802","4","296","2","296","2","","","","","","","","7","C 1 c 1","C -2yc","9","","","","- C9 H46 As2 Cu3 N6 O70 W17 -","- C9 H45 As2 Cu3 N6 O70 W17 -","- C36 H180 As8 Cu12 N24 O280 W68 -","4","1","","Liu, Lu; Wang, Bo; Lv, Jinghua; Yu, Kai; Wang, Lu; Zhang, He; Wang, Shuo; Zhou, Baibin","One-step synthesis two Wells‒Dawson arsenotungstate hybrids via M-O-M bridges for efficient adsorption and selective separation of organic pollutants","CrystEngComm","2017","","","","","10.1039/C7CE01307H","","","0.71073","MoKα","","0.0814","0.0725","","","0.1162","0.1253","","","","","","1.02","","","","has coordinates","199867","2020-10-21","18:00:00",""
"7228947","11.6435","0.0014","13.3208","0.0015","28.381","0.003","90.517","0.002","96.148","0.002","112.141","0.002","4048","0.8","296","2","296","2","","","","","","","","7","P -1","-P 1","2","","","","- C12 H64 As2 Cu3 N12 O69 W18 -","- C12 H64 As2 Cu3 N12 O69 W18 -","- C24 H128 As4 Cu6 N24 O138 W36 -","2","1","","Liu, Lu; Wang, Bo; Lv, Jinghua; Yu, Kai; Wang, Lu; Zhang, He; Wang, Shuo; Zhou, Baibin","One-step synthesis two Wells‒Dawson arsenotungstate hybrids via M-O-M bridges for efficient adsorption and selective separation of organic pollutants","CrystEngComm","2017","","","","","10.1039/C7CE01307H","","","0.71073","MoKα","","0.0903","0.0791","","","0.1075","0.1134","","","","","","1.069","","","","has coordinates","199867","2020-10-21","18:00:00",""
"7228948","25.9705","0.0011","8.7538","0.0005","45.267","0.003","90","","104.053","0.005","90","","9983","1","298","2","298","2","","","","","","","","6","I 2/c 1 1","-I 2yc","15","","","","- C40 H50 Cl F12 N5 O3 -","- C40 H50 Cl F12 N5 O3 -","- C320 H400 Cl8 F96 N40 O24 -","8","1","","Manna, Utsab; Das, Gopal","Anion Binding Consistency by influence of Aromatic meta-disubstitution of a Simple Urea Receptor: Regular Entrapment of Hydrated Halide and Oxyanion clusters","CrystEngComm","2017","","","","","10.1039/C7CE01155E","","","0.71073","MoKα","","0.1665","0.0969","","","0.2723","0.3049","","","","","","1.186","","","","has coordinates,has disorder","199883","2020-10-21","18:00:00",""
"7228949","19.5913","0.0019","22.1973","0.0014","16.0329","0.0014","90","","102.823","0.009","90","","6798.4","1","298","2","298","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C58 H88 F12 N6 O8 -","- C58 H88 F12 N6 O8 -","- C232 H352 F48 N24 O32 -","4","1","","Manna, Utsab; Das, Gopal","Anion Binding Consistency by influence of Aromatic meta-disubstitution of a Simple Urea Receptor: Regular Entrapment of Hydrated Halide and Oxyanion clusters","CrystEngComm","2017","","","","","10.1039/C7CE01155E","","","0.71073","MoKα","","0.298","0.1262","","","0.2939","0.3616","","","","","","1.171","","","","has coordinates","199883","2020-10-21","18:00:00",""
"7228950","16.6244","0.0008","21.5012","0.0008","20.832","0.0009","90","","111.626","0.005","90","","6922.1","0.6","298","2","298","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C57 H49 F24 N11 O7 -","- C57 H49 F24 N11 O7 -","- C228 H196 F96 N44 O28 -","4","1","","Manna, Utsab; Das, Gopal","Anion Binding Consistency by influence of Aromatic meta-disubstitution of a Simple Urea Receptor: Regular Entrapment of Hydrated Halide and Oxyanion clusters","CrystEngComm","2017","","","","","10.1039/C7CE01155E","","","0.71073","MoKα","","0.2039","0.1122","","","0.3241","0.3654","","","","","","1.171","","","","has coordinates,has disorder","199883","2020-10-21","18:00:00",""
"7228951","17.9692","0.0015","20.9828","0.0014","9.5322","0.001","90","","104.706","0.009","90","","3476.3","0.5","298","2","298","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C28 H26 F12 N4 O4 S2 -","- C28 H26 F12 N4 O4 S2 -","- C112 H104 F48 N16 O16 S8 -","4","1","","Manna, Utsab; Das, Gopal","Anion Binding Consistency by influence of Aromatic meta-disubstitution of a Simple Urea Receptor: Regular Entrapment of Hydrated Halide and Oxyanion clusters","CrystEngComm","2017","","","","","10.1039/C7CE01155E","","","0.71073","MoKα","","0.1866","0.0957","","","0.2466","0.3055","","","","","","1.171","","","","has coordinates,has disorder","199883","2020-10-21","18:00:00",""
"7228952","22.4903","0.0008","22.6667","0.0007","31.1019","0.0013","90","","96.97","0.003","90","","15738","1","298","2","298","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C136 H186 F36 N16 O16 S2 -","- C136 H186 F36 N16 O16 S2 -","- C544 H744 F144 N64 O64 S8 -","4","1","","Manna, Utsab; Das, Gopal","Anion Binding Consistency by influence of Aromatic meta-disubstitution of a Simple Urea Receptor: Regular Entrapment of Hydrated Halide and Oxyanion clusters","CrystEngComm","2017","","","","","10.1039/C7CE01155E","","","0.71073","MoKα","","0.288","0.1072","","","0.2547","0.3371","","","","","","1.04","","","","has coordinates","199883","2020-10-21","18:00:00",""
"7228953","13.4502","0.0011","8.6269","0.0015","20.472","0.002","90","","94.73","0.008","90","","2367.3","0.5","298","2","298","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C42 H53 F12 N5 O5 -","- C42 H53 F12 N5 O5 -","- C84 H106 F24 N10 O10 -","2","1","","Manna, Utsab; Das, Gopal","Anion Binding Consistency by influence of Aromatic meta-disubstitution of a Simple Urea Receptor: Regular Entrapment of Hydrated Halide and Oxyanion clusters","CrystEngComm","2017","","","","","10.1039/C7CE01155E","","","0.71073","MoKα","","0.2019","0.1119","","","0.2513","0.2878","","","","","","1.177","","","","has coordinates","199883","2020-10-21","18:00:00",""
"7228954","23.096","0.004","17.557","0.003","9.015","0.0017","90","","112.545","0.004","90","","3376.2","1","123","2","123","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C30 H34.28 N10 O8 -","- C30 H34.224 N10 O8 -","- C120 H136.896 N40 O32 -","4","0.5","","Maly, Kenneth E.; Buck, William; Dawe, Louise N.","Open network structures from 2D hydrogen bonded networks: diaminotriazyl tetraoxapentacenes","CrystEngComm","2017","","","","","10.1039/C7CE01247K","","","1.54184","CuKα","","0.0761","0.0722","","","0.2167","0.2211","","","","","","1.084","","","","has coordinates,has disorder","199884","2020-10-21","18:00:00",""
"7228955","10.955","0.002","9.0316","0.0015","18.918","0.004","90","","96.863","0.009","90","","1858.4","0.6","123","2","122.98","","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C24 H16 N10 O4 -","- C24 H16 N10 O4 -","- C48 H32 N20 O8 -","2","0.5","","Maly, Kenneth E.; Buck, William; Dawe, Louise N.","Open network structures from 2D hydrogen bonded networks: diaminotriazyl tetraoxapentacenes","CrystEngComm","2017","","","","","10.1039/C7CE01247K","","","0.71073","MoKα","","0.0815","0.0759","","","0.2194","0.226","","","","","","1.116","","","","has coordinates,has disorder","199884","2020-10-21","18:00:00",""
"7228956","10.953","0.003","9.0278","0.0018","20.734","0.005","90","","103.539","0.009","90","","1993.2","0.8","123","2","123.03","","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C16 H22 N5 O5 S2 -","- C16 H22 N5 O5 S2 -","- C64 H88 N20 O20 S8 -","4","1","","Maly, Kenneth E.; Buck, William; Dawe, Louise N.","Open network structures from 2D hydrogen bonded networks: diaminotriazyl tetraoxapentacenes","CrystEngComm","2017","","","","","10.1039/C7CE01247K","","","0.71073","MoKα","","0.0664","0.0463","","","0.1292","0.1407","","","","","","1.026","","","","has coordinates","199884","2020-10-21","18:00:00",""
"7228957","10.4508","0.0008","24.9276","0.0018","9.8093","0.0008","90","","107.63","0.009","90","","2435.4","0.3","294.94","0.1","294.94","0.1","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C14 H11 F N O -","- C14 H11 F N O -","- C112 H88 F8 N8 O8 -","8","1","","Shen, Guangyu; Gou, Fei; Cheng, Jinghui; Zhang, Xiaohong; Zhou, Xiangge; Xiang, Haifeng","Chiral and non-conjugated fluorescent salen ligands: AIE, anion probes, chiral recognition of unprotected amino acids, and cell imaging applications","RSC Adv.","2017","7","64","40640","","10.1039/C7RA08267C","","x-ray","1.54184","CuKα","","0.0842","0.0716","","","0.1857","0.2091","","","","","","1.045","","","","has coordinates","199896","2020-10-21","18:00:00",""
"7228958","10.4917","0.0002","25.8936","0.0005","18.0444","0.0003","90","","92.0418","0.0017","90","","4898.97","0.16","136.12","0.18","136.12","0.18","","","","","","","","5","I 1 2/a 1","-I 2ya","15","","","","- C28 H22 Cl2 N2 O2 -","- C28 H22 Cl2 N2 O2 -","- C224 H176 Cl16 N16 O16 -","8","1","","Shen, Guangyu; Gou, Fei; Cheng, Jinghui; Zhang, Xiaohong; Zhou, Xiangge; Xiang, Haifeng","Chiral and non-conjugated fluorescent salen ligands: AIE, anion probes, chiral recognition of unprotected amino acids, and cell imaging applications","RSC Adv.","2017","7","64","40640","","10.1039/C7RA08267C","","x-ray","1.54184","CuKα","","0.0633","0.0572","","","0.1535","0.1628","","","","","","1.033","","","","has coordinates","199896","2020-10-21","18:00:00",""
"7228959","10.4661","0.0004","11.0082","0.0005","17.6201","0.0005","95.216","0.003","96.508","0.003","110.291","0.004","1873.25","0.14","293.28","0.1","293.28","0.1","","","","","","","","5","P -1","-P 1","2","","","","- C20 H20 F2 N2 O2 -","- C20 H20 F2 N2 O2 -","- C80 H80 F8 N8 O8 -","4","2","","Shen, Guangyu; Gou, Fei; Cheng, Jinghui; Zhang, Xiaohong; Zhou, Xiangge; Xiang, Haifeng","Chiral and non-conjugated fluorescent salen ligands: AIE, anion probes, chiral recognition of unprotected amino acids, and cell imaging applications","RSC Adv.","2017","7","64","40640","","10.1039/C7RA08267C","","x-ray","1.54184","CuKα","","0.0605","0.0527","","","0.1518","0.1621","","","","","","1.04","","","","has coordinates","203412","2020-10-21","18:00:00",""
"7228960","11.1476","0.0002","11.1476","0.0002","38.1525","0.0008","90","","90","","120","","4105.98","0.14","294.33","0.1","294.33","0.1","","","","","","","","5","P 31 2 1","P 31 2""","152","","","","- C30 H30 F3 N3 O3 -","- C30 H30 F3 N3 O3 -","- C180 H180 F18 N18 O18 -","6","1","","Shen, Guangyu; Gou, Fei; Cheng, Jinghui; Zhang, Xiaohong; Zhou, Xiangge; Xiang, Haifeng","Chiral and non-conjugated fluorescent salen ligands: AIE, anion probes, chiral recognition of unprotected amino acids, and cell imaging applications","RSC Adv.","2017","7","64","40640","","10.1039/C7RA08267C","","x-ray","1.54184","CuKα","","0.0491","0.0477","","","0.1236","0.1256","","","","","","1.094","","","","has coordinates","199896","2020-10-21","18:00:00",""
"7228961","11.14762","0.00019","11.14762","0.00019","38.1285","0.0006","90","","90","","120","","4103.41","0.12","294.33","0.1","294.33","0.1","","","","","","","","5","P 32 2 1","P 32 2""","154","","","","- C30 H30 F3 N3 O3 -","- C30 H30 F3 N3 O3 -","- C180 H180 F18 N18 O18 -","6","1","","Shen, Guangyu; Gou, Fei; Cheng, Jinghui; Zhang, Xiaohong; Zhou, Xiangge; Xiang, Haifeng","Chiral and non-conjugated fluorescent salen ligands: AIE, anion probes, chiral recognition of unprotected amino acids, and cell imaging applications","RSC Adv.","2017","7","64","40640","","10.1039/C7RA08267C","","x-ray","1.54184","CuKα","","0.0574","0.0547","","","0.1489","0.1516","","","","","","1.107","","","","has coordinates","199896","2020-10-21","18:00:00",""
"7228962","22.906","0.003","6.7298","0.0015","11.236","0.003","90","","111.711","0.008","90","","1609.2","0.6","293","2","293","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C14 H9 Cu2 N7 O0 S2 -","- C14 H9 Cu2 N7 S2 -","- C56 H36 Cu8 N28 S8 -","4","0.5","","Liu, Xi; Zhao, Zhen; Wang, Chun-Hai; Fu, Shan; Huang, Kun-Lin","Three pillared-layered inorganic‒organic hybrid polymers with efficient luminescence","RSC Adv.","2017","7","64","40632","","10.1039/C7RA07061F","","","0.71073","MoKα","","0.0392","0.0346","","","0.131","0.1409","","","","","","1.001","","","","has coordinates","199897","2020-10-21","18:00:00",""
"7228963","7.615","0.002","10.017","0.003","26.635","0.004","90","","94.229","0.005","90","","2026.2","0.9","296","2","296","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C16 H12 Cd N8 O0 S2 -","- C16 H12 Cd N8 S2 -","- C64 H48 Cd4 N32 S8 -","4","1","","Liu, Xi; Zhao, Zhen; Wang, Chun-Hai; Fu, Shan; Huang, Kun-Lin","Three pillared-layered inorganic‒organic hybrid polymers with efficient luminescence","RSC Adv.","2017","7","64","40632","","10.1039/C7RA07061F","","","0.71073","MoKα","","0.0587","0.0454","","","0.1238","0.1331","","","","","","1.002","","","","has coordinates","199897","2020-10-21","18:00:00",""
"7228964","27.106","0.004","10.0401","0.0011","7.4419","0.001","90","","101.855","0.006","90","","1982.1","0.5","293","2","293","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C14 H9 Cd N7 S2 -","- C14 H9 Cd N7 S2 -","- C56 H36 Cd4 N28 S8 -","4","0.5","","Liu, Xi; Zhao, Zhen; Wang, Chun-Hai; Fu, Shan; Huang, Kun-Lin","Three pillared-layered inorganic‒organic hybrid polymers with efficient luminescence","RSC Adv.","2017","7","64","40632","","10.1039/C7RA07061F","","","0.71073","MoKα","","0.0463","0.0422","","","0.1373","0.1496","","","","","","1.005","","","","has coordinates","199897","2020-10-21","18:00:00",""
"7228965","12.0926","0.0005","25.9263","0.001","9.6761","0.0004","90","","98.343","0.001","90","","3001.5","0.2","100","2","100","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C60 H45.59 La2 N6 O14.79 S6 -","- C60 H45.588 La2 N6 O14.794 S6 -","- C120 H91.176 La4 N12 O29.588 S12 -","2","0.5","","Batrice, Rami J.; Ridenour, J. August; Ayscue III, R. Lee; Bertke, Jeffery A.; Knope, Karah E.","Synthesis, structure, and photoluminescent behaviour of molecular lanthanide‒2-thiophenecarboxylate‒2,2′:6′,2′′-terpyridine materials","CrystEngComm","2017","","","","","10.1039/C7CE01192J","","","0.71073","MoKα","","0.0322","0.0246","","","0.0453","0.0469","","","","","","1.089","","","","has coordinates,has disorder","199914","2020-10-21","18:00:00",""
"7228966","8.407","0.0004","20.3347","0.0009","17.5788","0.0008","90","","98.1531","0.0016","90","","2974.8","0.2","100","2","100","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C30 H22 N3 O7 S3 Tm -","- C30 H22 N3 O7 S3 Tm -","- C120 H88 N12 O28 S12 Tm4 -","4","1","","Batrice, Rami J.; Ridenour, J. August; Ayscue III, R. Lee; Bertke, Jeffery A.; Knope, Karah E.","Synthesis, structure, and photoluminescent behaviour of molecular lanthanide‒2-thiophenecarboxylate‒2,2′:6′,2′′-terpyridine materials","CrystEngComm","2017","","","","","10.1039/C7CE01192J","","","0.71073","MoKα","","0.0292","0.0202","","","0.0373","0.0392","","","","","","1.029","","","","has coordinates,has disorder","199914","2020-10-21","18:00:00",""
"7228967","11.988","0.0005","25.6332","0.0011","9.6899","0.0004","90","","98.071","0.001","90","","2948.1","0.2","100","2","100","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C60 H44 N6 Nd2 O14.63 S6 -","- C60 H44 N6 Nd2 O14.634 S6 -","- C120 H88 N12 Nd4 O29.268 S12 -","2","0.5","","Batrice, Rami J.; Ridenour, J. August; Ayscue III, R. Lee; Bertke, Jeffery A.; Knope, Karah E.","Synthesis, structure, and photoluminescent behaviour of molecular lanthanide‒2-thiophenecarboxylate‒2,2′:6′,2′′-terpyridine materials","CrystEngComm","2017","","","","","10.1039/C7CE01192J","","","0.71073","MoKα","","0.0523","0.0309","","","0.0524","0.057","","","","","","1.001","","","","has coordinates,has disorder","199914","2020-10-21","18:00:00",""
"7228968","11.9398","0.0004","25.4924","0.0011","9.7089","0.0004","90","","97.983","0.001","90","","2926.5","0.2","100","2","100","","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C60 H44.84 N6 O14.42 S6 Sm2 -","- C60 H44.844 N6 O14.422 S6 Sm2 -","- C120 H89.688 N12 O28.844 S12 Sm4 -","2","0.5","","Batrice, Rami J.; Ridenour, J. August; Ayscue III, R. Lee; Bertke, Jeffery A.; Knope, Karah E.","Synthesis, structure, and photoluminescent behaviour of molecular lanthanide‒2-thiophenecarboxylate‒2,2′:6′,2′′-terpyridine materials","CrystEngComm","2017","","","","","10.1039/C7CE01192J","","","0.71073","MoKα","","0.0384","0.0258","","","0.0439","0.0463","","","","","","1.051","","","","has coordinates,has disorder","199914","2020-10-21","18:00:00",""
"7228969","12.025","0.0006","25.737","0.0011","9.6972","0.0004","90","","98.165","0.002","90","","2970.7","0.2","100","2","100","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C60 H45.28 N6 O14.64 Pr2 S6 -","- C60 H45.284 N6 O14.642 Pr2 S6 -","- C120 H90.568 N12 O29.284 Pr4 S12 -","2","0.5","","Batrice, Rami J.; Ridenour, J. August; Ayscue III, R. Lee; Bertke, Jeffery A.; Knope, Karah E.","Synthesis, structure, and photoluminescent behaviour of molecular lanthanide‒2-thiophenecarboxylate‒2,2′:6′,2′′-terpyridine materials","CrystEngComm","2017","","","","","10.1039/C7CE01192J","","","0.71073","MoKα","","0.0348","0.0262","","","0.0471","0.049","","","","","","1.093","","","","has coordinates,has disorder","199914","2020-10-21","18:00:00",""
"7228970","16.5155","0.0008","10.1553","0.0005","17.0664","0.0008","90","","92.993","0.002","90","","2858.5","0.2","100","2","100","","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C30 H22 Er N3 O7 S3 -","- C30 H22 Er N3 O7 S3 -","- C120 H88 Er4 N12 O28 S12 -","4","1","","Batrice, Rami J.; Ridenour, J. August; Ayscue III, R. Lee; Bertke, Jeffery A.; Knope, Karah E.","Synthesis, structure, and photoluminescent behaviour of molecular lanthanide‒2-thiophenecarboxylate‒2,2′:6′,2′′-terpyridine materials","CrystEngComm","2017","","","","","10.1039/C7CE01192J","","","0.71073","MoKα","","0.0272","0.0241","","","0.0539","0.0548","","","","","","1.186","","","","has coordinates,has disorder","199914","2020-10-21","18:00:00",""
"7228971","8.4315","0.0005","20.2753","0.0012","17.5412","0.0011","90","","98.219","0.002","90","","2967.9","0.3","100","2","100.01","","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C30 H22 Lu N3 O7 S3 -","- C30 H22 Lu N3 O7 S3 -","- C120 H88 Lu4 N12 O28 S12 -","4","1","","Batrice, Rami J.; Ridenour, J. August; Ayscue III, R. Lee; Bertke, Jeffery A.; Knope, Karah E.","Synthesis, structure, and photoluminescent behaviour of molecular lanthanide‒2-thiophenecarboxylate‒2,2′:6′,2′′-terpyridine materials","CrystEngComm","2017","","","","","10.1039/C7CE01192J","","","0.71073","MoKα","","0.0247","0.0208","","","0.0412","0.042","","","","","","1.155","","","","has coordinates,has disorder","199914","2020-10-21","18:00:00",""
"7228972","8.4238","0.0004","20.2807","0.0009","17.5653","0.0008","90","","98.119","0.002","90","","2970.8","0.2","100","","100","","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","Yb Monomer","","- C30 H22 N3 O7 S3 Yb -","- C30 H22 N3 O7 S3 Yb -","- C120 H88 N12 O28 S12 Yb4 -","4","1","","Batrice, Rami J.; Ridenour, J. August; Ayscue III, R. Lee; Bertke, Jeffery A.; Knope, Karah E.","Synthesis, structure, and photoluminescent behaviour of molecular lanthanide‒2-thiophenecarboxylate‒2,2′:6′,2′′-terpyridine materials","CrystEngComm","2017","","","","","10.1039/C7CE01192J","","","0.71073","MoKα","","0.0442","0.0287","","","0.0519","0.0553","","","","","","1.02","","","","has coordinates,has disorder","199914","2020-10-21","18:00:00",""
"7228973","11.8674","0.0006","25.2352","0.0012","9.728","0.0005","90","","97.574","0.002","90","","2887.9","0.2","100","","100","","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C60 H44.63 Ho2 N6 O14.32 S6 -","- C60 H44.632 Ho2 N6 O14.316 S6 -","- C120 H89.264 Ho4 N12 O28.632 S12 -","2","0.5","","Batrice, Rami J.; Ridenour, J. August; Ayscue III, R. Lee; Bertke, Jeffery A.; Knope, Karah E.","Synthesis, structure, and photoluminescent behaviour of molecular lanthanide‒2-thiophenecarboxylate‒2,2′:6′,2′′-terpyridine materials","CrystEngComm","2017","","","","","10.1039/C7CE01192J","","","0.71073","MoKα","","0.0306","0.0248","","","0.0465","0.0477","","","","","","1.143","","","","has coordinates,has disorder","199914","2020-10-21","18:00:00",""
"7228974","11.8744","0.0006","25.2718","0.0012","9.7179","0.0005","90","","97.716","0.002","90","","2889.8","0.2","100","2","100","","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C60 H44.59 Dy2 N6 O14.3 S6 -","- C60 H44.592 Dy2 N6 O14.296 S6 -","- C120 H89.184 Dy4 N12 O28.592 S12 -","2","0.5","","Batrice, Rami J.; Ridenour, J. August; Ayscue III, R. Lee; Bertke, Jeffery A.; Knope, Karah E.","Synthesis, structure, and photoluminescent behaviour of molecular lanthanide‒2-thiophenecarboxylate‒2,2′:6′,2′′-terpyridine materials","CrystEngComm","2017","","","","","10.1039/C7CE01192J","","","0.71073","MoKα","","0.0326","0.0244","","","0.0434","0.0451","","","","","","1.078","","","","has coordinates,has disorder","199914","2020-10-21","18:00:00",""
"7228975","11.9277","0.0005","25.4424","0.001","9.7246","0.0005","90","","97.836","0.002","90","","2923.6","0.2","100","","100","","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","RJB389","","- C60 H44.86 Eu2 N6 O14.43 S6 -","- C60 H44.86 Eu2 N6 O14.43 S6 -","- C120 H89.72 Eu4 N12 O28.86 S12 -","2","0.5","","Batrice, Rami J.; Ridenour, J. August; Ayscue III, R. Lee; Bertke, Jeffery A.; Knope, Karah E.","Synthesis, structure, and photoluminescent behaviour of molecular lanthanide‒2-thiophenecarboxylate‒2,2′:6′,2′′-terpyridine materials","CrystEngComm","2017","","","","","10.1039/C7CE01192J","","","0.71073","MoKα","","0.026","0.0213","","","0.0428","0.0439","","","","","","1.102","","","","has coordinates,has disorder","199914","2020-10-21","18:00:00",""
"7228976","12.045","0.0006","25.8165","0.0012","9.6836","0.0004","90","","98.27","0.001","90","","2979.9","0.2","100","2","100","","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C60 H45.39 Ce2 N6 O14.69 S6 -","- C60 H45.396 Ce2 N6 O14.698 S6 -","- C120 H90.792 Ce4 N12 O29.396 S12 -","2","0.5","","Batrice, Rami J.; Ridenour, J. August; Ayscue III, R. Lee; Bertke, Jeffery A.; Knope, Karah E.","Synthesis, structure, and photoluminescent behaviour of molecular lanthanide‒2-thiophenecarboxylate‒2,2′:6′,2′′-terpyridine materials","CrystEngComm","2017","","","","","10.1039/C7CE01192J","","","0.71073","MoKα","","0.0332","0.0254","","","0.0472","0.0489","","","","","","1.094","","","","has coordinates,has disorder","199914","2020-10-21","18:00:00",""
"7228977","25.5787","0.0018","12.0144","0.0008","40.596","0.003","90","","106.38","0.002","90","","11969.3","1.5","100","2","100","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C60 H44 Ho2 N6 O14 S6 -","- C60 H44 Ho2 N6 O14 S6 -","- C480 H352 Ho16 N48 O112 S48 -","8","1","","Batrice, Rami J.; Ridenour, J. August; Ayscue III, R. Lee; Bertke, Jeffery A.; Knope, Karah E.","Synthesis, structure, and photoluminescent behaviour of molecular lanthanide‒2-thiophenecarboxylate‒2,2′:6′,2′′-terpyridine materials","CrystEngComm","2017","","","","","10.1039/C7CE01192J","","","0.71073","MoKα","","0.0383","0.0328","","","0.0486","0.0491","","","","","","1.868","","","","has coordinates,has disorder","199914","2020-10-21","18:00:00",""
"7228978","11.8918","0.0008","25.3435","0.0017","9.7176","0.0006","90","","97.76","0.001","90","","2901.9","0.3","100","","100","","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","Tb Dimer","","- C60 H44.74 N6 O14.37 S6 Tb2 -","- C60 H44.676 N6 O14.338 S6 Tb2 -","- C120 H89.352 N12 O28.676 S12 Tb4 -","2","0.5","","Batrice, Rami J.; Ridenour, J. August; Ayscue III, R. Lee; Bertke, Jeffery A.; Knope, Karah E.","Synthesis, structure, and photoluminescent behaviour of molecular lanthanide‒2-thiophenecarboxylate‒2,2′:6′,2′′-terpyridine materials","CrystEngComm","2017","","","","","10.1039/C7CE01192J","","","0.71073","MoKα","","0.0235","0.0191","","","0.0387","0.0398","","","","","","1.061","","","","has coordinates,has disorder","199914","2020-10-21","18:00:00",""
"7228979","11.91","0.0005","25.389","0.001","9.7186","0.0004","90","","97.852","0.002","90","","2911.2","0.2","100","","100.01","","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","Gd Dimer","","- C60 H44.74 Gd2 N6 O14.37 S6 -","- C60 H44.744 Gd2 N6 O14.372 S6 -","- C120 H89.488 Gd4 N12 O28.744 S12 -","2","0.5","","Batrice, Rami J.; Ridenour, J. August; Ayscue III, R. Lee; Bertke, Jeffery A.; Knope, Karah E.","Synthesis, structure, and photoluminescent behaviour of molecular lanthanide‒2-thiophenecarboxylate‒2,2′:6′,2′′-terpyridine materials","CrystEngComm","2017","","","","","10.1039/C7CE01192J","","","0.71073","MoKα","","0.0354","0.0239","","","0.0424","0.0446","","","","","","1.027","","","","has coordinates,has disorder","199914","2020-10-21","18:00:00",""
"7228980","10.9995","0.0008","12.9029","0.0008","10.0701","0.0007","90","","111.081","0.002","90","","1333.55","0.16","100","","100","","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C14 H7 F3 N2 O S -","- C14 H7 F3 N2 O S -","- C56 H28 F12 N8 O4 S4 -","4","1","","Wannebroucq, Amélie; Meunier-Prest, Rita; Chambron, Jean-Claude; Brachais, Claire-Hélène; Suisse, Jean-Moïse; Bouvet, Marcel","Synthesis and characterization of fluorophthalocyanines bearing four 2-(2-thienyl)ethoxy moieties: from the optimization of the fluorine substitution to chemosensing","RSC Adv.","2017","7","65","41272","","10.1039/C7RA05325H","","x-ray","0.71073","MoKα","","0.0857","0.0532","","","0.1096","0.1324","","","","","","1.037","","","","has coordinates,has disorder","199925","2020-10-21","18:00:00",""
"7228981","19.883","0.002","7.1179","0.0007","23.095","0.002","90","","90","","90","","3268.5","0.5","300","2","300","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C17 H22 Fe N4 O2 -","- C17 H22 Fe N4 O2 -","- C136 H176 Fe8 N32 O16 -","8","1","","Tang, Yun-Zhi; Liu, Yi; Gao, Ji-Xing; Wang, Chang-Feng; Wang, Bin; Tan, Yu-Hui; Wen, He-Rui","Reversible structural phase transition, ferroelectric and switchable dielectric properties of an adduct molecule of hexamethylenetetramine ferrocene carboxylic acid","RSC Adv.","2017","7","66","41369","","10.1039/C7RA06429B","","","0.71073","MoKα","","0.2015","0.0796","","","0.129","0.1648","","","","","","1.025","","","","has coordinates","199940","2020-10-21","18:00:00",""
"7228982","22.958","0.002","7.0548","0.0006","19.5831","0.0017","90","","90","","90","","3171.8","0.5","110","2","110","2","","","","","","","","5","P c a 21","P 2c -2ac","29","","","","- C17 H22 Fe N4 O2 -","- C17 H22 Fe N4 O2 -","- C136 H176 Fe8 N32 O16 -","8","2","","Tang, Yun-Zhi; Liu, Yi; Gao, Ji-Xing; Wang, Chang-Feng; Wang, Bin; Tan, Yu-Hui; Wen, He-Rui","Reversible structural phase transition, ferroelectric and switchable dielectric properties of an adduct molecule of hexamethylenetetramine ferrocene carboxylic acid","RSC Adv.","2017","7","66","41369","","10.1039/C7RA06429B","","","0.71073","MoKα","","0.0354","0.0335","","","0.0767","0.0777","","","","","","1.064","","","","has coordinates","202518","2020-10-21","18:00:00",""
"7228983","16.6846","0.0007","18.4587","0.0006","14.6183","0.0007","90","","114.144","0.005","90","","4108.2","0.3","93","","93","","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C43 H52 Cl3 N O3 Ti2 -","- C43 H52 Cl3 N O3 Ti2 -","- C172 H208 Cl12 N4 O12 Ti8 -","4","1","","Yan, Qing; Tsutsumi, Ken; Nomura, Kotohiro","Synthesis and structural analysis of aryloxo-modified trinuclear half-titanocenes, and their use as catalyst precursors for ethylene polymerisation","RSC Adv.","2017","7","66","41345","","10.1039/C7RA07581B","","","0.71073","MoKα","","0.0898","0.0553","","","0.1304","0.1477","","","","","","1.037","","","","has coordinates","199941","2020-10-21","18:00:00",""
"7228984","13.2258","0.0006","22.4804","0.0011","24.4338","0.0012","90","","99.642","0.004","90","","7162.1","0.6","93","","93","","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C69 H99 Cl6 N O3 Ti3 -","- C69 H99 Cl6 N O3 Ti3 -","- C276 H396 Cl24 N4 O12 Ti12 -","4","1","","Yan, Qing; Tsutsumi, Ken; Nomura, Kotohiro","Synthesis and structural analysis of aryloxo-modified trinuclear half-titanocenes, and their use as catalyst precursors for ethylene polymerisation","RSC Adv.","2017","7","66","41345","","10.1039/C7RA07581B","","","0.71073","MoKα","","0.1132","0.0571","","","0.1101","0.133","","","","","","1.012","","","","has coordinates","199941","2020-10-21","18:00:00",""
"7228985","16.059","0.002","16.059","0.002","63.922","0.006","90","","90","","120","","14276","3","93","","93","","","","","","","","","6","R -3 c :H","-R 3 2""c","167","","","","- C42 H45 Cl6 N O3 Ti3 -","- C42 H45 Cl6 N O3 Ti3 -","- C504 H540 Cl72 N12 O36 Ti36 -","12","0.333333","","Yan, Qing; Tsutsumi, Ken; Nomura, Kotohiro","Synthesis and structural analysis of aryloxo-modified trinuclear half-titanocenes, and their use as catalyst precursors for ethylene polymerisation","RSC Adv.","2017","7","66","41345","","10.1039/C7RA07581B","","","0.71073","MoKα","","0.1259","0.0982","","","0.2086","0.222","","","","","","1.096","","","","has coordinates","199941","2020-10-21","18:00:00",""
"7228986","24.4075","0.0013","24.4075","0.0013","23.4369","0.0016","90","","90","","120","","12091.4","1.2","93","","93","","","","","","","","","6","R -3 :H","-R 3","148","","","","- C60 H81 Cl6 N O3 Ti3 -","- C60 H81 Cl6 N O3 Ti3 -","- C360 H486 Cl36 N6 O18 Ti18 -","6","0.333333","","Yan, Qing; Tsutsumi, Ken; Nomura, Kotohiro","Synthesis and structural analysis of aryloxo-modified trinuclear half-titanocenes, and their use as catalyst precursors for ethylene polymerisation","RSC Adv.","2017","7","66","41345","","10.1039/C7RA07581B","","","0.71073","MoKα","","0.1434","0.075","","","0.1975","0.2317","","","","","","0.984","","","","has coordinates","199941","2020-10-21","18:00:00",""
"7228987","19.9129","0.0004","19.9654","0.0003","20.169","0.0004","90","","98.7979","0.0019","90","","7924.2","0.3","93","","93","","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C81 H129 N O3 Ti3 -","- C81 H129 N O3 Ti3 -","- C324 H516 N4 O12 Ti12 -","4","1","","Yan, Qing; Tsutsumi, Ken; Nomura, Kotohiro","Synthesis and structural analysis of aryloxo-modified trinuclear half-titanocenes, and their use as catalyst precursors for ethylene polymerisation","RSC Adv.","2017","7","66","41345","","10.1039/C7RA07581B","","","0.71073","MoKα","","0.0738","0.0579","","","0.1664","0.1774","","","","","","1.008","","","","has coordinates","199941","2020-10-21","18:00:00",""
"7228988","14.275","0.007","22.52","0.01","14.984","0.007","90","","100.408","0.006","90","","4738","4","273","","93","","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C47 H60 Cl3 N O3 Ti2 -","- C47 H60 Cl3 N O3 Ti2 -","- C188 H240 Cl12 N4 O12 Ti8 -","4","1","","Yan, Qing; Tsutsumi, Ken; Nomura, Kotohiro","Synthesis and structural analysis of aryloxo-modified trinuclear half-titanocenes, and their use as catalyst precursors for ethylene polymerisation","RSC Adv.","2017","7","66","41345","","10.1039/C7RA07581B","","","0.71075","MoKα","","0.0999","0.0721","","","0.1857","0.2152","","","","","","1.063","","","","has coordinates","199941","2020-10-21","18:00:00",""
"7228989","17.5836","0.0009","22.4075","0.001","21.6663","0.001","90","","94.814","0.004","90","","8506.5","0.7","93","","93","","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C75 H111 Cl6 N O3 Ti3 -","- C75 H111 Cl6 N O3 Ti3 -","- C300 H444 Cl24 N4 O12 Ti12 -","4","1","","Yan, Qing; Tsutsumi, Ken; Nomura, Kotohiro","Synthesis and structural analysis of aryloxo-modified trinuclear half-titanocenes, and their use as catalyst precursors for ethylene polymerisation","RSC Adv.","2017","7","66","41345","","10.1039/C7RA07581B","","","0.71073","MoKα","","0.1382","0.0757","","","0.191","0.2209","","","","","","0.945","","","","has coordinates","199941","2020-10-21","18:00:00",""
"7228990","12.14","0.0011","14.9259","0.0013","16.2591","0.0015","113.44","0.002","103.808","0.001","91.469","0.001","2600.8","0.4","298","2","298","2","","","","","","","","6","P -1","-P 1","2","","","","- C26 H74 Cl3 La O19 P4 -","- C26 H74 Cl3 La O19 P4 -","- C52 H148 Cl6 La2 O38 P8 -","2","1","","Ma, Yan; Yang, Yong-Sheng; Jiang, Yu-Han; Li, Yue-Xue; Liu, Min; Li, Zhong-Feng; Han, Hong-Liang; Yang, Yu-Ping; Xin, Xiu-Lan; Jin, Qiong-Hua","Lanthanide contraction and chelating effect on a new family of lanthanide complexes with tetrakis(O-isopropyl)methyle-nediphosphonate: synthesis, structures and terahertz time-domain spectroscopy","RSC Adv.","2017","7","66","41651","","10.1039/C7RA07888A","","","0.71073","MoKα","","0.0834","0.0468","","","0.108","0.1257","","","","","","0.998","","","","has coordinates","199965","2020-10-21","18:00:00",""
"7228991","10.4108","0.0012","15.3989","0.0016","18.8774","0.0019","84.974","0.002","81.811","0.001","76.228","0.001","2904.8","0.5","298","2","298","2","","","","","","","","6","P -1","-P 1","2","","","","- C26 H80 Cl3 Eu O22 P4 -","- C26 H80 Cl3 Eu O22 P4 -","- C52 H160 Cl6 Eu2 O44 P8 -","2","1","","Ma, Yan; Yang, Yong-Sheng; Jiang, Yu-Han; Li, Yue-Xue; Liu, Min; Li, Zhong-Feng; Han, Hong-Liang; Yang, Yu-Ping; Xin, Xiu-Lan; Jin, Qiong-Hua","Lanthanide contraction and chelating effect on a new family of lanthanide complexes with tetrakis(O-isopropyl)methyle-nediphosphonate: synthesis, structures and terahertz time-domain spectroscopy","RSC Adv.","2017","7","66","41651","","10.1039/C7RA07888A","","","0.71073","MoKα","","0.0893","0.0707","","","0.1853","0.1997","","","","","","1.066","","","","has coordinates","199965","2020-10-21","18:00:00",""
"7228992","10.347","0.0007","15.1905","0.0013","18.6403","0.0018","85.087","0.002","82.352","0.001","76.5","0.001","2819","0.4","298","2","298","2","","","","","","","","6","P -1","-P 1","2","","","","- C26 H80 Cl3 O22 P4 Tb -","- C26 H80 Cl3 O22 P4 Tb -","- C52 H160 Cl6 O44 P8 Tb2 -","2","1","","Ma, Yan; Yang, Yong-Sheng; Jiang, Yu-Han; Li, Yue-Xue; Liu, Min; Li, Zhong-Feng; Han, Hong-Liang; Yang, Yu-Ping; Xin, Xiu-Lan; Jin, Qiong-Hua","Lanthanide contraction and chelating effect on a new family of lanthanide complexes with tetrakis(O-isopropyl)methyle-nediphosphonate: synthesis, structures and terahertz time-domain spectroscopy","RSC Adv.","2017","7","66","41651","","10.1039/C7RA07888A","","","0.71073","MoKα","","0.0545","0.0384","","","0.0901","0.097","","","","","","1.013","","","","has coordinates","199965","2020-10-21","18:00:00",""
"7228993","10.6178","0.0011","20.6875","0.0019","23.129","0.003","90","","90","","90","","5080.4","1","298","2","298","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C26 H72 Cl3 Nd O18 P4 -","- C26 H72 Cl3 Nd O18 P4 -","- C104 H288 Cl12 Nd4 O72 P16 -","4","1","","Ma, Yan; Yang, Yong-Sheng; Jiang, Yu-Han; Li, Yue-Xue; Liu, Min; Li, Zhong-Feng; Han, Hong-Liang; Yang, Yu-Ping; Xin, Xiu-Lan; Jin, Qiong-Hua","Lanthanide contraction and chelating effect on a new family of lanthanide complexes with tetrakis(O-isopropyl)methyle-nediphosphonate: synthesis, structures and terahertz time-domain spectroscopy","RSC Adv.","2017","7","66","41651","","10.1039/C7RA07888A","","","0.71073","MoKα","","0.0473","0.0346","","","0.0721","0.0794","","","","","","1.043","","","","has coordinates","199965","2020-10-21","18:00:00",""
"7228994","10.2541","0.0011","12.3626","0.0014","12.4492","0.0016","77.13","0.001","81.321","0.002","67.067","0.001","1413.3","0.3","298","2","298","2","","","","","","","","6","P -1","-P 1","2","","","","- C28 H86 Cl4 O24 P4 Sc2 -","- C28 H86 Cl4 O24 P4 Sc2 -","- C28 H86 Cl4 O24 P4 Sc2 -","1","0.5","","Ma, Yan; Yang, Yong-Sheng; Jiang, Yu-Han; Li, Yue-Xue; Liu, Min; Li, Zhong-Feng; Han, Hong-Liang; Yang, Yu-Ping; Xin, Xiu-Lan; Jin, Qiong-Hua","Lanthanide contraction and chelating effect on a new family of lanthanide complexes with tetrakis(O-isopropyl)methyle-nediphosphonate: synthesis, structures and terahertz time-domain spectroscopy","RSC Adv.","2017","7","66","41651","","10.1039/C7RA07888A","","","0.71073","MoKα","","0.1155","0.0711","","","0.2115","0.2474","","","","","","0.998","","","","has coordinates","199965","2020-10-21","18:00:00",""
"7228995","10.415","0.001","15.6001","0.0016","18.1899","0.0019","89.38","0.002","75.53","0.001","74.232","0.001","2748.8","0.5","298","2","298","2","","","","","","","","6","P -1","-P 1","2","","","","- C26 H80 Cl3 Er O22 P4 -","- C26 H80 Cl3 Er O22 P4 -","- C52 H160 Cl6 Er2 O44 P8 -","2","1","","Ma, Yan; Yang, Yong-Sheng; Jiang, Yu-Han; Li, Yue-Xue; Liu, Min; Li, Zhong-Feng; Han, Hong-Liang; Yang, Yu-Ping; Xin, Xiu-Lan; Jin, Qiong-Hua","Lanthanide contraction and chelating effect on a new family of lanthanide complexes with tetrakis(O-isopropyl)methyle-nediphosphonate: synthesis, structures and terahertz time-domain spectroscopy","RSC Adv.","2017","7","66","41651","","10.1039/C7RA07888A","","","0.71073","MoKα","","0.1071","0.0803","","","0.1956","0.2187","","","","","","1.048","","","","has coordinates,has disorder","199965","2020-10-21","18:00:00",""
"7228996","10.339","0.0011","15.1721","0.0015","18.6529","0.0017","85.223","0.002","82.597","0.001","76.446","0.001","2816.5","0.5","298","2","298","2","","","","","","","","6","P -1","-P 1","2","","","","- C26 H80 Cl3 Gd O22 P4 -","- C26 H80 Cl3 Gd O22 P4 -","- C52 H160 Cl6 Gd2 O44 P8 -","2","1","","Ma, Yan; Yang, Yong-Sheng; Jiang, Yu-Han; Li, Yue-Xue; Liu, Min; Li, Zhong-Feng; Han, Hong-Liang; Yang, Yu-Ping; Xin, Xiu-Lan; Jin, Qiong-Hua","Lanthanide contraction and chelating effect on a new family of lanthanide complexes with tetrakis(O-isopropyl)methyle-nediphosphonate: synthesis, structures and terahertz time-domain spectroscopy","RSC Adv.","2017","7","66","41651","","10.1039/C7RA07888A","","","0.71073","MoKα","","0.1339","0.0944","","","0.2455","0.2657","","","","","","1.021","","","","has coordinates","199965","2020-10-21","18:00:00",""
"7228997","12.3651","0.0011","13.0974","0.0013","16.4608","0.0015","69.506","0.001","68.145","0.001","77.605","0.002","2306.7","0.4","298","2","298","2","","","","","","","","6","P -1","-P 1","2","","","","- C26 H64 Cl3 Ho O14 P4 -","- C26 H64 Cl3 Ho O14 P4 -","- C52 H128 Cl6 Ho2 O28 P8 -","2","1","","Ma, Yan; Yang, Yong-Sheng; Jiang, Yu-Han; Li, Yue-Xue; Liu, Min; Li, Zhong-Feng; Han, Hong-Liang; Yang, Yu-Ping; Xin, Xiu-Lan; Jin, Qiong-Hua","Lanthanide contraction and chelating effect on a new family of lanthanide complexes with tetrakis(O-isopropyl)methyle-nediphosphonate: synthesis, structures and terahertz time-domain spectroscopy","RSC Adv.","2017","7","66","41651","","10.1039/C7RA07888A","","","0.71073","MoKα","","0.1153","0.0613","","","0.144","0.1834","","","","","","1.034","","","","has coordinates","199965","2020-10-21","18:00:00",""
"7228998","10.369","0.001","15.2349","0.0014","18.6571","0.0016","85.598","0.002","82.486","0.001","76.306","0.001","2835.7","0.4","298","2","298","2","","","","","","","","6","P -1","-P 1","2","","","","- C26 H80 Cl3 O22 P4 Sm -","- C26 H80 Cl3 O22 P4 Sm -","- C52 H160 Cl6 O44 P8 Sm2 -","2","1","","Ma, Yan; Yang, Yong-Sheng; Jiang, Yu-Han; Li, Yue-Xue; Liu, Min; Li, Zhong-Feng; Han, Hong-Liang; Yang, Yu-Ping; Xin, Xiu-Lan; Jin, Qiong-Hua","Lanthanide contraction and chelating effect on a new family of lanthanide complexes with tetrakis(O-isopropyl)methyle-nediphosphonate: synthesis, structures and terahertz time-domain spectroscopy","RSC Adv.","2017","7","66","41651","","10.1039/C7RA07888A","","","0.71073","MoKα","","0.061","0.0431","","","0.1182","0.1307","","","","","","1.116","","","","has coordinates","199965","2020-10-21","18:00:00",""
"7228999","10.3287","0.0009","15.174","0.0018","18.563","0.002","85.156","0.002","82.257","0.001","76.148","0.001","2794.8","0.5","298","2","298","2","","","","","","","","6","P -1","-P 1","2","","","","- C26 H80 Cl3 Dy O22 P4 -","- C26 H80 Cl3 Dy O22 P4 -","- C52 H160 Cl6 Dy2 O44 P8 -","2","1","","Ma, Yan; Yang, Yong-Sheng; Jiang, Yu-Han; Li, Yue-Xue; Liu, Min; Li, Zhong-Feng; Han, Hong-Liang; Yang, Yu-Ping; Xin, Xiu-Lan; Jin, Qiong-Hua","Lanthanide contraction and chelating effect on a new family of lanthanide complexes with tetrakis(O-isopropyl)methyle-nediphosphonate: synthesis, structures and terahertz time-domain spectroscopy","RSC Adv.","2017","7","66","41651","","10.1039/C7RA07888A","","","0.71073","MoKα","","0.0651","0.0415","","","0.0935","0.1077","","","","","","1.062","","","","has coordinates","199965","2020-10-21","18:00:00",""
"7229000","11.978","0.003","13.572","0.003","16.458","0.004","97.679","0.002","109.533","0.001","109.94","0.002","2275.9","0.9","93","2","93","2","","","","","","","","6","P -1","-P 1","2","","","","- C26 H68 Ce Cl3 O16 P4 -","- C26 H68 Ce Cl3 O16 P4 -","- C52 H136 Ce2 Cl6 O32 P8 -","2","1","","Ma, Yan; Yang, Yong-Sheng; Jiang, Yu-Han; Li, Yue-Xue; Liu, Min; Li, Zhong-Feng; Han, Hong-Liang; Yang, Yu-Ping; Xin, Xiu-Lan; Jin, Qiong-Hua","Lanthanide contraction and chelating effect on a new family of lanthanide complexes with tetrakis(O-isopropyl)methyle-nediphosphonate: synthesis, structures and terahertz time-domain spectroscopy","RSC Adv.","2017","7","66","41651","","10.1039/C7RA07888A","","","0.71073","MoKα","","0.0474","0.0415","","","0.0833","0.0867","","","","","","0.999","","","","has coordinates","199965","2020-10-21","18:00:00",""
"7229001","12.3732","0.0014","15.054","0.0018","29.867","0.003","97.478","0.001","94.54","0.001","108.099","0.002","5200.6","1","298","2","298","2","","","","","","","","6","P -1","-P 1","2","","","","- C52 H132 Cl4 O31 P8 Pr2 -","- C52 H132 Cl4 O31 P8 Pr2 -","- C104 H264 Cl8 O62 P16 Pr4 -","2","1","","Ma, Yan; Yang, Yong-Sheng; Jiang, Yu-Han; Li, Yue-Xue; Liu, Min; Li, Zhong-Feng; Han, Hong-Liang; Yang, Yu-Ping; Xin, Xiu-Lan; Jin, Qiong-Hua","Lanthanide contraction and chelating effect on a new family of lanthanide complexes with tetrakis(O-isopropyl)methyle-nediphosphonate: synthesis, structures and terahertz time-domain spectroscopy","RSC Adv.","2017","7","66","41651","","10.1039/C7RA07888A","","","0.71073","MoKα","","0.1102","0.0629","","","0.1575","0.1763","","","","","","1.018","","","","has coordinates,has disorder","199965","2020-10-21","18:00:00",""
"7229002","12.2667","0.0011","13.8644","0.0013","16.75","0.002","99.039","0.001","108.566","0.002","110.314","0.002","2415","0.4","298","2","298","2","","","","","","","","6","P -1","-P 1","2","","","","- C26 H66 Cl3 La O16 P4 -","- C26 H66 Cl3 La O16 P4 -","- C52 H132 Cl6 La2 O32 P8 -","2","1","","Ma, Yan; Yang, Yong-Sheng; Jiang, Yu-Han; Li, Yue-Xue; Liu, Min; Li, Zhong-Feng; Han, Hong-Liang; Yang, Yu-Ping; Xin, Xiu-Lan; Jin, Qiong-Hua","Lanthanide contraction and chelating effect on a new family of lanthanide complexes with tetrakis(O-isopropyl)methyle-nediphosphonate: synthesis, structures and terahertz time-domain spectroscopy","RSC Adv.","2017","7","66","41651","","10.1039/C7RA07888A","","","0.71073","MoKα","","0.0708","0.0504","","","0.1273","0.1478","","","","","","1.07","","","","has coordinates","199965","2020-10-21","18:00:00",""
"7229003","13.8","0.0012","16.7321","0.0014","22.43","0.002","107.433","0.002","97.103","0.001","98.8","0.001","4803.6","0.7","298","2","298","2","","","","","","","","6","P -1","-P 1","2","","","","- C26 H68 Cl3 La O16 P4 -","- C26 H68 Cl3 La O16 P4 -","- C104 H272 Cl12 La4 O64 P16 -","4","2","","Ma, Yan; Yang, Yong-Sheng; Jiang, Yu-Han; Li, Yue-Xue; Liu, Min; Li, Zhong-Feng; Han, Hong-Liang; Yang, Yu-Ping; Xin, Xiu-Lan; Jin, Qiong-Hua","Lanthanide contraction and chelating effect on a new family of lanthanide complexes with tetrakis(O-isopropyl)methyle-nediphosphonate: synthesis, structures and terahertz time-domain spectroscopy","RSC Adv.","2017","7","66","41651","","10.1039/C7RA07888A","","","0.71073","MoKα","","0.1131","0.0397","","","0.0886","0.1402","","","","","","1.016","","","","has coordinates","199965","2020-10-21","18:00:00",""
"7229004","15.2938","0.0016","16.7518","0.0019","20.338","0.0017","90","","111.932","0.001","90","","4833.5","0.8","298","2","298","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C26 H68 Cl3 O16 P4 Yb -","- C26 H68 Cl3 O16 P4 Yb -","- C104 H272 Cl12 O64 P16 Yb4 -","4","1","","Ma, Yan; Yang, Yong-Sheng; Jiang, Yu-Han; Li, Yue-Xue; Liu, Min; Li, Zhong-Feng; Han, Hong-Liang; Yang, Yu-Ping; Xin, Xiu-Lan; Jin, Qiong-Hua","Lanthanide contraction and chelating effect on a new family of lanthanide complexes with tetrakis(O-isopropyl)methyle-nediphosphonate: synthesis, structures and terahertz time-domain spectroscopy","RSC Adv.","2017","7","66","41651","","10.1039/C7RA07888A","","","0.71073","MoKα","","0.1136","0.0495","","","0.1067","0.1477","","","","","","1.137","","","","has coordinates","199965","2020-10-21","18:00:00",""
"7229005","10.383","0.001","15.2969","0.0014","18.6231","0.0018","85.654","0.002","82.401","0.001","76.246","0.001","2844.8","0.5","298","2","298","2","","","","","","","","6","P -1","-P 1","2","","","","- C26 H78 Cl3 Nd O22 P4 -","- C26 H78 Cl3 Nd O22 P4 -","- C52 H156 Cl6 Nd2 O44 P8 -","2","1","","Ma, Yan; Yang, Yong-Sheng; Jiang, Yu-Han; Li, Yue-Xue; Liu, Min; Li, Zhong-Feng; Han, Hong-Liang; Yang, Yu-Ping; Xin, Xiu-Lan; Jin, Qiong-Hua","Lanthanide contraction and chelating effect on a new family of lanthanide complexes with tetrakis(O-isopropyl)methyle-nediphosphonate: synthesis, structures and terahertz time-domain spectroscopy","RSC Adv.","2017","7","66","41651","","10.1039/C7RA07888A","","","0.71073","MoKα","","0.0997","0.0628","","","0.1596","0.1882","","","","","","1.04","","","","has coordinates,has disorder","199965","2020-10-21","18:00:00",""
"7229006","10.334","0.002","15.835","0.003","28.718","0.006","90","","103.504","0.006","90","","4569.5","1.6","296","2","296","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C53 H50 N6 Ni O5 -","- C53 H50 N6 Ni O5 -","- C212 H200 N24 Ni4 O20 -","4","1","","Li, Yueqin; Yang, Zhiwei; Zhou, Minya; Li, Yun; He, Jing; Wang, Xuehong; Lin, Zhengfeng","Ni(ii) and Co(ii) complexes of an asymmetrical aroylhydrazone: synthesis, molecular structures, DNA binding, protein interaction, radical scavenging and cytotoxic activity","RSC Adv.","2017","7","66","41527","","10.1039/C7RA05504H","","","0.71073","MoKα","","0.0597","0.0384","","","0.1094","0.1281","","","","","","1.052","","","","has coordinates","199966","2020-10-21","18:00:00",""
"7229007","10.36","0.006","15.843","0.009","28.627","0.015","90","","103.66","0.018","90","","4566","4","293","","293","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C53 H50 Co N6 O5 -","- C53 H50 Co N6 O5 -","- C212 H200 Co4 N24 O20 -","4","1","","Li, Yueqin; Yang, Zhiwei; Zhou, Minya; Li, Yun; He, Jing; Wang, Xuehong; Lin, Zhengfeng","Ni(ii) and Co(ii) complexes of an asymmetrical aroylhydrazone: synthesis, molecular structures, DNA binding, protein interaction, radical scavenging and cytotoxic activity","RSC Adv.","2017","7","66","41527","","10.1039/C7RA05504H","","","0.71073","MoKα","","0.1513","0.0726","","","0.1862","0.2539","","","","","","0.972","","","","has coordinates","199966","2020-10-21","18:00:00",""
"7229008","7.84","0.003","12.067","0.005","14.22","0.006","87.101","0.006","77.634","0.006","89.744","0.007","1312.4","0.9","296","2","296","2","","","","","","","","6","P -1","-P 1","2","","","","- C23 H29 F I2 N4 O -","- C23 H29 F I2 N4 O -","- C46 H58 F2 I4 N8 O2 -","2","1","","Gu, Zhenyu; Li, Yanci; Ma, Songliang; Li, Shenghui; Zhou, Guoqiang; Ding, Shan; Zhang, Jinchao; Wang, Shuxiang; Zhou, Chuanqi","Synthesis, cytotoxic evaluation and DNA binding study of 9-fluoro-6H-indolo[2,3-b]quinoxaline derivatives","RSC Adv.","2017","7","66","41869","","10.1039/C7RA08138C","","","0.71073","MoKα","","0.0462","0.0342","","","0.0831","0.0883","","","","","","1.072","","","","has coordinates","200003","2020-10-21","18:00:00",""
"7229009","18.7049","0.0011","11.8936","0.0007","23.2743","0.0014","90","","90","","90","","5177.8","0.5","100","2","100","2","","","","","","","","5","P b c n","-P 2n 2ab","60","","","","- C28 H42 N O2 Zn0.5 -","- C28 H42 N O2 Zn0.5 -","- C224 H336 N8 O16 Zn4 -","8","1","","Hollingsworth, Thilini S.; Hollingsworth, Ryan L.; Rosen, Tomer; Groysman, Stanislav","Zinc bimetallics supported by a xanthene-bridged dinucleating ligand: synthesis, characterization, and lactide polymerization studies","RSC Adv.","2017","7","66","41819","","10.1039/C7RA09207E","","","0.71073","MoKα","","0.0668","0.0375","","","0.0887","0.0957","","","","","","0.945","","","","has coordinates","200004","2020-10-21","18:00:00",""
"7229010","14.0407","0.0012","14.9293","0.0012","15.0232","0.0012","63.972","0.004","84.451","0.004","74.293","0.004","2723.2","0.4","100","2","100","2","","","","","","","","4","P -1","-P 1","2","","","","- C61 H74 N2 O3.5 -","- C61.08 H72 N2 O3.5 -","- C122.16 H144 N4 O7 -","2","1","","Hollingsworth, Thilini S.; Hollingsworth, Ryan L.; Rosen, Tomer; Groysman, Stanislav","Zinc bimetallics supported by a xanthene-bridged dinucleating ligand: synthesis, characterization, and lactide polymerization studies","RSC Adv.","2017","7","66","41819","","10.1039/C7RA09207E","","","0.71073","MoKα","","0.1548","0.0951","","","0.2489","0.2976","","","","","","1.001","","","","has coordinates,has disorder","200004","2020-10-21","18:00:00",""
"7229011","15.7195","0.0009","28.519","0.0017","30.8537","0.0018","90","","90","","90","","13831.9","1.4","100","2","100","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C72.13 H89 Li3 N2 O5.5 -","- C72.164 H86.246 Li3 N2 O5.5 -","- C577.312 H689.968 Li24 N16 O44 -","8","1","","Hollingsworth, Thilini S.; Hollingsworth, Ryan L.; Rosen, Tomer; Groysman, Stanislav","Zinc bimetallics supported by a xanthene-bridged dinucleating ligand: synthesis, characterization, and lactide polymerization studies","RSC Adv.","2017","7","66","41819","","10.1039/C7RA09207E","","","0.71073","MoKα","","0.1469","0.0887","","","0.2111","0.2421","","","","","","1.064","","","","has coordinates,has disorder","200004","2020-10-21","18:00:00",""
"7229012","15.2656","0.0007","24.0925","0.001","16.2518","0.0007","90","","91.554","0.002","90","","5975","0.5","100","2","100","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C63.5 H78 N2 O5 Zn2 -","- C63.5 H78 N2 O5 Zn2 -","- C254 H312 N8 O20 Zn8 -","4","1","","Hollingsworth, Thilini S.; Hollingsworth, Ryan L.; Rosen, Tomer; Groysman, Stanislav","Zinc bimetallics supported by a xanthene-bridged dinucleating ligand: synthesis, characterization, and lactide polymerization studies","RSC Adv.","2017","7","66","41819","","10.1039/C7RA09207E","","","0.71073","MoKα","","0.1088","0.0467","","","0.0945","0.1059","","","","","","0.928","","","","has coordinates,has disorder","200004","2020-10-21","18:00:00",""
"7229013","9.918","0.0013","25.002","0.004","13.3687","0.0014","90","","97.84","0.005","90","","3284","0.8","100","2","100","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C34 H54 Cl Li O3 Zn -","- C34 H54 Cl Li O3 Zn -","- C136 H216 Cl4 Li4 O12 Zn4 -","4","1","","Hollingsworth, Thilini S.; Hollingsworth, Ryan L.; Rosen, Tomer; Groysman, Stanislav","Zinc bimetallics supported by a xanthene-bridged dinucleating ligand: synthesis, characterization, and lactide polymerization studies","RSC Adv.","2017","7","66","41819","","10.1039/C7RA09207E","","","0.71073","MoKα","","0.0788","0.0561","","","0.1491","0.1571","","","","","","1.072","","","","has coordinates","200004","2020-10-21","18:00:00",""
"7229014","16.4922","0.0006","27.6893","0.0011","18.6758","0.0008","90","","113.206","0.002","90","","7838.4","0.6","100","2","100","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C72 H117 Cl4 Li2 N2 O7 Zn2 -","- C72 H110.7 Cl4 Li2 N2 O7 Zn2 -","- C288 H442.8 Cl16 Li8 N8 O28 Zn8 -","4","1","","Hollingsworth, Thilini S.; Hollingsworth, Ryan L.; Rosen, Tomer; Groysman, Stanislav","Zinc bimetallics supported by a xanthene-bridged dinucleating ligand: synthesis, characterization, and lactide polymerization studies","RSC Adv.","2017","7","66","41819","","10.1039/C7RA09207E","","","0.71073","MoKα","","0.1305","0.0607","","","0.1556","0.1766","","","","","","0.933","","","","has coordinates,has disorder","200004","2020-10-21","18:00:00",""
"7229015","14.0422","0.0016","14.7543","0.0018","16.4069","0.0019","94.571","0.006","107.133","0.005","106.102","0.005","3072.3","0.6","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","","","- C63 H90 N2 O4.5 Zn2 -","- C63 H88 N2 O4.5 Zn2 -","- C126 H176 N4 O9 Zn4 -","2","1","","Hollingsworth, Thilini S.; Hollingsworth, Ryan L.; Rosen, Tomer; Groysman, Stanislav","Zinc bimetallics supported by a xanthene-bridged dinucleating ligand: synthesis, characterization, and lactide polymerization studies","RSC Adv.","2017","7","66","41819","","10.1039/C7RA09207E","","","0.71073","MoKα","","0.1316","0.061","","","0.1532","0.1705","","","","","","0.961","","","","has coordinates,has disorder","200004","2020-10-21","18:00:00",""
"7229016","16.5356","0.0007","14.763","0.0006","19.9092","0.0008","90","","103.18","0.002","90","","4732.1","0.3","100","2","100","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","compound_L_anti","","","- C53 H72 N2 O3 -","- C53 H72 N2 O3 -","- C212 H288 N8 O12 -","4","1","","Hollingsworth, Thilini S.; Hollingsworth, Ryan L.; Rosen, Tomer; Groysman, Stanislav","Zinc bimetallics supported by a xanthene-bridged dinucleating ligand: synthesis, characterization, and lactide polymerization studies","RSC Adv.","2017","7","66","41819","","10.1039/C7RA09207E","","","0.71073","MoKα","","0.0806","0.0666","","","0.1853","0.1974","","","","","","1.028","","","","has coordinates","200004","2020-10-21","18:00:00",""
"7229017","29.7214","0.0018","22.1597","0.0018","10.344","0.0006","90","","109.183","0.004","90","","6434.5","0.8","100","2","100","2","","","","","","","","5","C 1 c 1","C -2yc","9","","","","- C70 H94 N2 O4 Zn -","- C70 H94 N2 O4 Zn -","- C280 H376 N8 O16 Zn4 -","4","1","","Hollingsworth, Thilini S.; Hollingsworth, Ryan L.; Rosen, Tomer; Groysman, Stanislav","Zinc bimetallics supported by a xanthene-bridged dinucleating ligand: synthesis, characterization, and lactide polymerization studies","RSC Adv.","2017","7","66","41819","","10.1039/C7RA09207E","","","0.71073","MoKα","","0.0662","0.0472","","","0.1219","0.1307","","","","","","1.018","","","","has coordinates,has disorder","200004","2020-10-21","18:00:00",""
"7229018","9.8335","0.0004","14.0885","0.0006","17.7805","0.0009","90","","90","","90","","2463.3","0.19","273","2","273.15","","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","azido acetate","","- C22 H24 Cl3 N3 O5 -","- C22 H24 Cl3 N3 O5 -","- C88 H96 Cl12 N12 O20 -","4","1","","Chennaiah, Ande; Bhowmick, Srijita; Vankar, Yashwant D.","Conversion of glycals into vicinal-1,2-diazides and 1,2-(or 2,1)-azidoacetates using hypervalent iodine reagents and Me3SiN3. Application in the synthesis of N-glycopeptides, pseudo-trisaccharides and an iminosugar","RSC Adv.","2017","7","66","41755","","10.1039/C7RA08637G","","","0.71073","MoKα","","0.0866","0.0616","","","0.1616","0.1772","","","","","","1.201","","","","has coordinates","200005","2020-10-21","18:00:00",""
"7229019","10.8746","0.0007","9.356","0.0006","12.7699","0.0009","90","","108.166","0.002","90","","1234.49","0.14","273","2","273.15","","","","","","","","","4","P 1 21 1","P 2yb","4","Galctose diazide","","","- C27 H28 N6 O4 -","- C27 H28 N6 O4 -","- C54 H56 N12 O8 -","2","1","","Chennaiah, Ande; Bhowmick, Srijita; Vankar, Yashwant D.","Conversion of glycals into vicinal-1,2-diazides and 1,2-(or 2,1)-azidoacetates using hypervalent iodine reagents and Me3SiN3. Application in the synthesis of N-glycopeptides, pseudo-trisaccharides and an iminosugar","RSC Adv.","2017","7","66","41755","","10.1039/C7RA08637G","","","0.71073","MoKα","","0.1039","0.0572","","","0.1111","0.1351","","","","","","1.032","","","","has coordinates","200005","2020-10-21","18:00:00",""
"7229020","10.389","0.002","15.957","0.003","8.4911","0.0017","90","","111.16","0.03","90","","1312.7","0.5","100","2","100","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","anti-N-methyl-4,7-bis(methoxymethyl)norcantharimide","anti-4,7-bis(methoxymethyl)-2-methylhexahydro-1H-4,7-epoxyisoindole-1,3(2H)-dione","","- C13 H19 N O5 -","- C13 H19 N O5 -","- C52 H76 N4 O20 -","4","1","","Kucherov, Fedor; Galkin, Konstantin; Gordeev, Evgeniy; Ananikov, Valentine","Efficient route for the construction of polycyclic systems from bioderived HMF","Green Chem.","2017","","","","","10.1039/C7GC02211E","","","0.9699","synchrotron","","0.1043","0.0878","","","0.2002","0.2168","","","","","","1.095","","","","has coordinates","200019","2020-10-21","18:00:00",""
"7229021","11.602","0.002","7.6108","0.0015","11.152","0.002","90","","95.45","0.03","90","","980.3","0.3","100","2","100","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","bis(hydroxymethyl)norcantharimide","endo-4,7-bis(hydroxymethyl)hexahydro-1H-4,7-epoxyisoindole-1,3(2H)-dione","","- C10 H13 N O5 -","- C10 H13 N O5 -","- C40 H52 N4 O20 -","4","1","","Kucherov, Fedor; Galkin, Konstantin; Gordeev, Evgeniy; Ananikov, Valentine","Efficient route for the construction of polycyclic systems from bioderived HMF","Green Chem.","2017","","","","","10.1039/C7GC02211E","","","0.9699","synchrotron","","0.0853","0.0635","","","0.1183","0.1342","","","","","","0.876","","","","has coordinates","200019","2020-10-21","18:00:00",""
"7229022","19.03","0.003","21.991","0.003","9.8034","0.0012","90","","102.551","0.007","90","","4004.6","1","296","2","296","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C36 H34 N4 O -","- C36 H34 N4 O -","- C144 H136 N16 O4 -","4","1","","Qian, Lebin; Zhou, Yibin; Liu, Miaochang; Huang, Xiaobo; Wu, Ge; Gao, Wenxia; Ding, Jinchang; Wu, Huayue","Mechanofluorochromic properties of fluorescent molecules based on a dicyanomethylene-4H-pyran and indole isomer containing different alkyl chains via an alkene module","RSC Adv.","2017","7","67","42180","","10.1039/C7RA06951K","","","1.54178","CuKα","","0.1414","0.0978","","","0.2622","0.3153","","","","","","0.95","","","","has coordinates,has disorder","200024","2020-10-21","18:00:00",""
"7229023","9.885","0.005","13.056","0.006","15.4","0.008","70.424","0.008","80.392","0.009","68.547","0.008","1740.6","1.5","298","2","298","2","","","","","","","","4","P -1","-P 1","2","","","","- C38 H38 N4 O6 -","- C38 H38 N4 O6 -","- C76 H76 N8 O12 -","2","1","","Qian, Lebin; Zhou, Yibin; Liu, Miaochang; Huang, Xiaobo; Wu, Ge; Gao, Wenxia; Ding, Jinchang; Wu, Huayue","Mechanofluorochromic properties of fluorescent molecules based on a dicyanomethylene-4H-pyran and indole isomer containing different alkyl chains via an alkene module","RSC Adv.","2017","7","67","42180","","10.1039/C7RA06951K","","","0.71073","MoKα","","0.1275","0.0811","","","0.2091","0.2355","","","","","","1.037","","","","has coordinates","200024","2020-10-21","18:00:00",""
"7229024","10.461","0.0014","12.7008","0.0017","14.931","0.003","101.29","0.003","103.112","0.003","109.122","0.002","1745.1","0.5","298","2","298","2","","","","","","","","4","P -1","-P 1","2","","","","- C38 H38 N4 O6 -","- C38 H38 N4 O6 -","- C76 H76 N8 O12 -","2","1","","Qian, Lebin; Zhou, Yibin; Liu, Miaochang; Huang, Xiaobo; Wu, Ge; Gao, Wenxia; Ding, Jinchang; Wu, Huayue","Mechanofluorochromic properties of fluorescent molecules based on a dicyanomethylene-4H-pyran and indole isomer containing different alkyl chains via an alkene module","RSC Adv.","2017","7","67","42180","","10.1039/C7RA06951K","","","0.71073","MoKα","","0.1338","0.0724","","","0.2047","0.2363","","","","","","0.971","","","","has coordinates","200024","2020-10-21","18:00:00",""
"7229025","8.3257","0.0012","12.1141","0.0017","15.672","0.002","100.531","0.003","90.188","0.004","103.883","0.003","1506.8","0.4","293","2","293","2","","","","","","","","4","P -1","-P 1","2","","","","- C36 H34 N4 O -","- C36 H34 N4 O -","- C72 H68 N8 O2 -","2","1","","Qian, Lebin; Zhou, Yibin; Liu, Miaochang; Huang, Xiaobo; Wu, Ge; Gao, Wenxia; Ding, Jinchang; Wu, Huayue","Mechanofluorochromic properties of fluorescent molecules based on a dicyanomethylene-4H-pyran and indole isomer containing different alkyl chains via an alkene module","RSC Adv.","2017","7","67","42180","","10.1039/C7RA06951K","","","0.71073","MoKα","","0.1608","0.0832","","","0.1684","0.2008","","","","","","1.054","","","","has coordinates,has disorder","200024","2020-10-21","18:00:00",""
"7229026","39.856","0.003","8.1733","0.0004","19.7806","0.001","90","","106.633","0.002","90","","6174","0.6","296","2","296","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C36 H34 N4 O -","- C36 H34 N4 O -","- C288 H272 N32 O8 -","8","1","","Qian, Lebin; Zhou, Yibin; Liu, Miaochang; Huang, Xiaobo; Wu, Ge; Gao, Wenxia; Ding, Jinchang; Wu, Huayue","Mechanofluorochromic properties of fluorescent molecules based on a dicyanomethylene-4H-pyran and indole isomer containing different alkyl chains via an alkene module","RSC Adv.","2017","7","67","42180","","10.1039/C7RA06951K","","","1.54178","CuKα","","0.1746","0.0793","","","0.2138","0.2966","","","","","","0.913","","","","has coordinates,has disorder","200024","2020-10-21","18:00:00",""
"7229027","11.5539","0.0004","17.9477","0.0006","17.9799","0.0005","105.002","0.002","96.23","0.002","99.152","0.002","3511.4","0.2","273","2","273","2","","","","","","","","4","P -1","-P 1","2","","","","- C36 H34 N4 O -","- C36 H34 N4 O -","- C144 H136 N16 O4 -","4","2","","Qian, Lebin; Zhou, Yibin; Liu, Miaochang; Huang, Xiaobo; Wu, Ge; Gao, Wenxia; Ding, Jinchang; Wu, Huayue","Mechanofluorochromic properties of fluorescent molecules based on a dicyanomethylene-4H-pyran and indole isomer containing different alkyl chains via an alkene module","RSC Adv.","2017","7","67","42180","","10.1039/C7RA06951K","","","1.54178","CuKα","","0.1375","0.0917","","","0.2407","0.2779","","","","","","0.954","","","","has coordinates","200024","2020-10-21","18:00:00",""
"7229028","10.2425","0.0002","11.222","0.0003","13.7847","0.0003","112.293","0.002","92.6647","0.0018","104.094","0.002","1404.75","0.06","294","1","294","1","","","","","","","","5","P -1","-P 1","2","","3b","","- C16 H11 Cl N2 O2 -","- C16 H11 Cl N2 O2 -","- C64 H44 Cl4 N8 O8 -","4","2","","Park, Yongseok; Fei, Xiang; Yuan, Yue; Lee, Sanha; Hur, Joonseong; Park, Sung Jean; Jung, Jae-Kyung; Seo, Seung-Yong","Chemoselective acylation of 2-amino-8-quinolinol in the generation of C2-amides or C8-esters","RSC Adv.","2017","7","67","41955","","10.1039/C7RA05287A","","x-ray","1.54184","CuKα","","0.0436","0.0391","","","0.1099","0.1142","","","","","","1.068","","","","has coordinates","200025","2020-10-21","18:00:00",""
"7229029","17.841","0.004","8.9458","0.0016","18.773","0.003","90","","94.309","0.015","90","","2987.7","1","297","0.3","297","0.3","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","3f","SG-HQ1","","- C37 H30 N2 O5 -","- C37 H30 N2 O5 -","- C148 H120 N8 O20 -","4","1","","Park, Yongseok; Fei, Xiang; Yuan, Yue; Lee, Sanha; Hur, Joonseong; Park, Sung Jean; Jung, Jae-Kyung; Seo, Seung-Yong","Chemoselective acylation of 2-amino-8-quinolinol in the generation of C2-amides or C8-esters","RSC Adv.","2017","7","67","41955","","10.1039/C7RA05287A","","x-ray","1.54184","CuKα","","0.1821","0.1176","","","0.3203","0.3937","","","","","","1.069","","","","has coordinates","200025","2020-10-21","18:00:00",""
"7229030","23.1622","0.0003","3.828","0.0001","31.4881","0.0003","90","","99.68","0.001","90","","2752.14","0.08","293.3","0.3","293.3","0.3","","","","","","","","5","I 1 2/a 1","-I 2ya","15","","4b","","- C16 H11 Cl N2 O2 -","- C16 H11 Cl N2 O2 -","- C128 H88 Cl8 N16 O16 -","8","1","","Park, Yongseok; Fei, Xiang; Yuan, Yue; Lee, Sanha; Hur, Joonseong; Park, Sung Jean; Jung, Jae-Kyung; Seo, Seung-Yong","Chemoselective acylation of 2-amino-8-quinolinol in the generation of C2-amides or C8-esters","RSC Adv.","2017","7","67","41955","","10.1039/C7RA05287A","","x-ray","1.54184","CuKα","","0.0446","0.0436","","","0.1261","0.1273","","","","","","1.041","","","","has coordinates","200025","2020-10-21","18:00:00",""
"7229031","6.2203","0.0008","16.092","0.002","9.4123","0.0014","90","","102.898","0.004","90","","918.4","0.2","296","2","296","2","","","","","","","","3","P 1 21 1","P 2yb","4","","","","- C20 H34 O2 -","- C20 H34 O2 -","- C40 H68 O4 -","2","1","","Rehman, Najeeb Ur; Hussain, Hidayat; Al-Shidhani, Sulaiman; Avula, Satya Kumar; Abbas, Ghulam; Anwar, Muhammad Usman; Górecki, Marcin; Pescitelli, Gennaro; Al-Harrasi, Ahmed","Incensfuran: isolation, X-ray crystal structure and absolute configuration by means of chiroptical studies in solution and solid state","RSC Adv.","2017","7","67","42357","","10.1039/C7RA07351H","","","0.71073","MoKα","","0.069","0.0519","","","0.1259","0.138","","","","","","0.951","","","","has coordinates","200060","2020-10-21","18:00:00",""
"7229033","22.185","0.004","18.725","0.004","23.73","0.005","90","","102.68","0.03","90","","9617","4","298","2","298","2","","","","","","","","5","C 1 c 1","C -2yc","9","","","","- C48 H42 Cu2 N14 O15 -","- C48 H42 Cu2 N14 O15 -","- C384 H336 Cu16 N112 O120 -","8","2","","Ribeiro, Eloisa O.; de Campos, Nathália R.; Doriguetto, Antônio C.; Barros, Wdeson P.; Ribeiro, Marcos A.; De Paula, Elgte E. B.; Stumpf, Humberto O.; Lloret, Francesc; Julve, Miguel; Marinho, Maria V.","Study of the complex formation between the [Cu(bpca)]+ secondary building unit and the aromatic N donors 2,3,5,6-tetra(2-pyridyl)pyrazine (tppz) and 1,3-bis(4-pyridyl)propane (bpp)","CrystEngComm","2017","","","","","10.1039/C7CE01230F","","","0.71073","MoKα","","0.0665","0.0438","","","0.0834","0.0915","","","","","","1.037","","","","has coordinates","200106","2020-10-21","18:00:00",""
"7229034","12.7715","0.0005","13.2527","0.0005","14.5883","0.0005","116.24","0.001","101.36","0.001","95.472","0.001","2124.09","0.14","150","2","150","2","","","","","","","","6","P -1","-P 1","2","","","","- C37 H36 Cl2 Cu2 N8 O16 -","- C37 H36 Cl2 Cu2 N8 O15.999 -","- C74 H72 Cl4 Cu4 N16 O31.998 -","2","1","","Ribeiro, Eloisa O.; de Campos, Nathália R.; Doriguetto, Antônio C.; Barros, Wdeson P.; Ribeiro, Marcos A.; De Paula, Elgte E. B.; Stumpf, Humberto O.; Lloret, Francesc; Julve, Miguel; Marinho, Maria V.","Study of the complex formation between the [Cu(bpca)]+ secondary building unit and the aromatic N donors 2,3,5,6-tetra(2-pyridyl)pyrazine (tppz) and 1,3-bis(4-pyridyl)propane (bpp)","CrystEngComm","2017","","","","","10.1039/C7CE01230F","","","0.71073","MoKα","","0.0542","0.0392","","","0.0995","0.1129","","","","","","1.043","","","","has coordinates","200106","2020-10-21","18:00:00",""
"7229035","10.543","0.008","11.218","0.009","19.322","0.016","85.354","0.017","74.292","0.015","78.481","0.016","2155","3","293","2","293","2","","","","","","","","4","P -1","-P 1","2","","","","- C46 H49.5 N6.5 O5 -","- C46 H48 N6.5 O5 -","- C92 H96 N13 O10 -","2","1","","Xu, Zhou-Qing; Mao, Xian-Jie; Wang, Yuan; Wu, Wei-Na; Mao, Pan-Dong; Zhao, Xiao-Lei; Fan, Yun-Chang; Li, Hui-Jun","Rhodamine 6G hydrazone with coumarin unit: a novel single-molecule multianalyte (Cu2+ and Hg2+) sensor at different pH value","RSC Adv.","2017","7","67","42312","","10.1039/C7RA05424F","","","0.71073","MoKα","","0.2663","0.0731","","","0.1166","0.1554","","","","","","1.028","","","","has coordinates","200121","2020-10-21","18:00:00",""
"7229036","8.7443","0.001","11.961","0.0014","13.2912","0.0013","79.913","0.003","70.808","0.003","75.349","0.004","1263.7","0.2","296","2","296","2","","","","","","","","6","P -1","-P 1","2","","","","- C31 H19 Cl2 N O3 S -","- C31 H19 Cl2 N O3 S -","- C62 H38 Cl4 N2 O6 S2 -","2","1","","Jiang, Wang; Sun, Jing; Yan, Chao-Guo","Diastereoselective synthesis of benzo[d]chromeno[3′,4′:3,4]pyrrolo[2,1-b]thiazoles via cycloaddition reaction of benzothiazolium salts with 3-nitrochromenes","RSC Adv.","2017","7","67","42387","","10.1039/C7RA06548E","","","0.71073","MoKα","","0.0896","0.0476","","","0.1058","0.1142","","","","","","1.067","","","","has coordinates","200122","2020-10-21","18:00:00",""
"7229037","11.591","0.0012","13.1205","0.0013","20.4645","0.0018","90","","118.012","0.005","90","","2747.6","0.5","296","2","296","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C31 H22 Br Cl N2 O4 S -","- C31 H22 Br Cl N2 O4 S -","- C124 H88 Br4 Cl4 N8 O16 S4 -","4","1","","Jiang, Wang; Sun, Jing; Yan, Chao-Guo","Diastereoselective synthesis of benzo[d]chromeno[3′,4′:3,4]pyrrolo[2,1-b]thiazoles via cycloaddition reaction of benzothiazolium salts with 3-nitrochromenes","RSC Adv.","2017","7","67","42387","","10.1039/C7RA06548E","","","0.71073","MoKα","","0.0482","0.0353","","","0.0882","0.093","","","","","","1.038","","","","has coordinates","200122","2020-10-21","18:00:00",""
"7229038","12.9531","0.0011","13.3809","0.0011","15.639","0.0014","90","","106.449","0.003","90","","2599.7","0.4","296","2","296","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C32 H22 Cl N O3 S -","- C32 H22 Cl N O3 S -","- C128 H88 Cl4 N4 O12 S4 -","4","1","","Jiang, Wang; Sun, Jing; Yan, Chao-Guo","Diastereoselective synthesis of benzo[d]chromeno[3′,4′:3,4]pyrrolo[2,1-b]thiazoles via cycloaddition reaction of benzothiazolium salts with 3-nitrochromenes","RSC Adv.","2017","7","67","42387","","10.1039/C7RA06548E","","","0.71073","MoKα","","0.1577","0.0923","","","0.2705","0.3078","","","","","","1.059","","","","has coordinates","200122","2020-10-21","18:00:00",""
"7229039","14.6578","0.0007","10.9282","0.0005","16.4917","0.0008","90","","111.754","0.0015","90","","2453.6","0.2","296","2","296","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C26 H20 Cl2 N2 O5 S -","- C26 H20 Cl2 N2 O5 S -","- C104 H80 Cl8 N8 O20 S4 -","4","1","","Jiang, Wang; Sun, Jing; Yan, Chao-Guo","Diastereoselective synthesis of benzo[d]chromeno[3′,4′:3,4]pyrrolo[2,1-b]thiazoles via cycloaddition reaction of benzothiazolium salts with 3-nitrochromenes","RSC Adv.","2017","7","67","42387","","10.1039/C7RA06548E","","","0.71073","MoKα","","0.0576","0.0405","","","0.0985","0.1045","","","","","","1.066","","","","has coordinates","200122","2020-10-21","18:00:00",""
"7229040","11.643","0.002","13.163","0.003","20.446","0.004","90","","118.101","0.01","90","","2764.1","1","296","2","296","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C32 H25 Br N2 O4 S -","- C32 H25 Br N2 O4 S -","- C128 H100 Br4 N8 O16 S4 -","4","1","","Jiang, Wang; Sun, Jing; Yan, Chao-Guo","Diastereoselective synthesis of benzo[d]chromeno[3′,4′:3,4]pyrrolo[2,1-b]thiazoles via cycloaddition reaction of benzothiazolium salts with 3-nitrochromenes","RSC Adv.","2017","7","67","42387","","10.1039/C7RA06548E","","","0.71073","MoKα","","0.0537","0.0361","","","0.0839","0.0886","","","","","","1.034","","","","has coordinates","200122","2020-10-21","18:00:00",""
"7229041","12.3329","0.0012","13.861","0.0012","16.0666","0.0015","90","","106.912","0.003","90","","2627.7","0.4","296","2","296","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C32 H22 Br N O4 S -","- C32 H22 Br N O4 S -","- C128 H88 Br4 N4 O16 S4 -","4","1","","Jiang, Wang; Sun, Jing; Yan, Chao-Guo","Diastereoselective synthesis of benzo[d]chromeno[3′,4′:3,4]pyrrolo[2,1-b]thiazoles via cycloaddition reaction of benzothiazolium salts with 3-nitrochromenes","RSC Adv.","2017","7","67","42387","","10.1039/C7RA06548E","","","0.71073","MoKα","","0.1076","0.052","","","0.1287","0.1475","","","","","","0.943","","","","has coordinates","200122","2020-10-21","18:00:00",""
"7229042","11.303","0.002","12.821","0.002","20.763","0.003","90","","116.403","0.007","90","","2695","0.8","296","2","296","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C31 H23 Br N2 O4 S -","- C31 H23 Br N2 O4 S -","- C124 H92 Br4 N8 O16 S4 -","4","1","","Jiang, Wang; Sun, Jing; Yan, Chao-Guo","Diastereoselective synthesis of benzo[d]chromeno[3′,4′:3,4]pyrrolo[2,1-b]thiazoles via cycloaddition reaction of benzothiazolium salts with 3-nitrochromenes","RSC Adv.","2017","7","67","42387","","10.1039/C7RA06548E","","","0.71073","MoKα","","0.0744","0.0491","","","0.127","0.1534","","","","","","0.996","","","","has coordinates","200122","2020-10-21","18:00:00",""
"7229043","16.7535","0.0018","7.6164","0.0008","24.693","0.0019","90","","120.576","0.005","90","","2712.7","0.5","293","2","293","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C31 H23 Br N2 O5 S -","- C31 H23 Br N2 O5 S -","- C124 H92 Br4 N8 O20 S4 -","4","1","","Jiang, Wang; Sun, Jing; Yan, Chao-Guo","Diastereoselective synthesis of benzo[d]chromeno[3′,4′:3,4]pyrrolo[2,1-b]thiazoles via cycloaddition reaction of benzothiazolium salts with 3-nitrochromenes","RSC Adv.","2017","7","67","42387","","10.1039/C7RA06548E","","","0.71073","MoKα","","0.0737","0.0394","","","0.097","0.1093","","","","","","1.039","","","","has coordinates","200122","2020-10-21","18:00:00",""
"7229044","12.9498","0.0008","13.3015","0.0009","15.8317","0.001","90","","106.084","0.002","90","","2620.3","0.3","296","2","296","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C32 H22 Br N O3 S -","- C32 H22 Br N O3 S -","- C128 H88 Br4 N4 O12 S4 -","4","1","","Jiang, Wang; Sun, Jing; Yan, Chao-Guo","Diastereoselective synthesis of benzo[d]chromeno[3′,4′:3,4]pyrrolo[2,1-b]thiazoles via cycloaddition reaction of benzothiazolium salts with 3-nitrochromenes","RSC Adv.","2017","7","67","42387","","10.1039/C7RA06548E","","","0.71073","MoKα","","0.1091","0.06","","","0.1739","0.192","","","","","","1.054","","","","has coordinates","200122","2020-10-21","18:00:00",""
"7229045","10.5179","0.0002","14.0136","0.0003","14.7009","0.0003","62.1907","0.001","73.1924","0.0011","80.894","0.0012","1833.99","0.07","173","2","173","2","","","","","","","","6","P -1","-P 1","2","","","","- C52 H78 Cl4 Co4 N20 O22 -","- C52 H78 Cl4 Co4 N20 O22 -","- C52 H78 Cl4 Co4 N20 O22 -","1","0.5","","Li, Yunwu; Guo, Ling-Yu; Feng, Lei; Jaglicic, Zvonko; Zeng, Suyuan; Sun, Di","Self-Assembly, Structures, Magnetic Properties and Solution Behaviors of Six Mixed-Valence Cobalt Clusters","CrystEngComm","2017","","","","","10.1039/C7CE01375B","","","0.71073","MoKα","","0.0472","0.039","","","0.0986","0.1064","","","","","","1.031","","","","has coordinates","200157","2020-10-21","18:00:00",""
"7229046","13.675","0.004","12.957","0.004","14.59","0.004","90","","94.204","0.003","90","","2578.2","1.3","298","2","298","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C28 H60 Cl4 Co4 N10 O26 -","- C28 H60 Cl4 Co4 N10 O26 -","- C56 H120 Cl8 Co8 N20 O52 -","2","0.5","","Li, Yunwu; Guo, Ling-Yu; Feng, Lei; Jaglicic, Zvonko; Zeng, Suyuan; Sun, Di","Self-Assembly, Structures, Magnetic Properties and Solution Behaviors of Six Mixed-Valence Cobalt Clusters","CrystEngComm","2017","","","","","10.1039/C7CE01375B","","","0.71073","MoKα","","0.0922","0.0582","","","0.1425","0.1624","","","","","","1.027","","","","has coordinates","200157","2020-10-21","18:00:00",""
"7229047","14.226","0.008","21.341","0.012","19.337","0.011","90","","109.717","0.005","90","","5526","5","298","2","298","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C38 H54 Cl4 Co4 N10 O23 -","- C38 H54 Cl4 Co4 N10 O23 -","- C152 H216 Cl16 Co16 N40 O92 -","4","1","","Li, Yunwu; Guo, Ling-Yu; Feng, Lei; Jaglicic, Zvonko; Zeng, Suyuan; Sun, Di","Self-Assembly, Structures, Magnetic Properties and Solution Behaviors of Six Mixed-Valence Cobalt Clusters","CrystEngComm","2017","","","","","10.1039/C7CE01375B","","","0.71073","MoKα","","0.133","0.0648","","","0.1462","0.1844","","","","","","1.004","","","","has coordinates","200157","2020-10-21","18:00:00",""
"7229048","17.5789","0.001","9.5632","0.0003","23.9684","0.0008","90","","101.608","0.003","90","","3946.9","0.3","298","2","298","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C54 H112 Co6 N6 O24 -","- C54 H112 Co6 N6 O24 -","- C108 H224 Co12 N12 O48 -","2","0.5","","Li, Yunwu; Guo, Ling-Yu; Feng, Lei; Jaglicic, Zvonko; Zeng, Suyuan; Sun, Di","Self-Assembly, Structures, Magnetic Properties and Solution Behaviors of Six Mixed-Valence Cobalt Clusters","CrystEngComm","2017","","","","","10.1039/C7CE01375B","","","0.71073","MoKα","","0.1195","0.074","","","0.1823","0.2061","","","","","","1.032","","","","has coordinates","200157","2020-10-21","18:00:00",""
"7229049","18.9823","0.0004","31.2644","0.0005","19.2712","0.0004","90","","120.764","0.0013","90","","9827.5","0.4","298","2","298","2","","","","","","","","5","C 1 c 1","C -2yc","9","","","","- C30 H62 Co5 N16 O12 -","- C30 H62 Co5 N16 O12 -","- C240 H496 Co40 N128 O96 -","8","2","","Li, Yunwu; Guo, Ling-Yu; Feng, Lei; Jaglicic, Zvonko; Zeng, Suyuan; Sun, Di","Self-Assembly, Structures, Magnetic Properties and Solution Behaviors of Six Mixed-Valence Cobalt Clusters","CrystEngComm","2017","","","","","10.1039/C7CE01375B","","","0.71073","MoKα","","0.0777","0.0462","","","0.0887","0.101","","","","","","0.985","","","","has coordinates,has disorder","200157","2020-10-21","18:00:00",""
"7229050","17.872","0.003","26.479","0.005","15.968","0.003","90","","90","","90","","7557","2","298","2","298","2","","","","","","","","6","C m c m","-C 2c 2","63","","","","- C50 H96 Co4 N5 Na O20 -","- C50 H96 Co4 N5 Na O20 -","- C200 H384 Co16 N20 Na4 O80 -","4","0.25","","Li, Yunwu; Guo, Ling-Yu; Feng, Lei; Jaglicic, Zvonko; Zeng, Suyuan; Sun, Di","Self-Assembly, Structures, Magnetic Properties and Solution Behaviors of Six Mixed-Valence Cobalt Clusters","CrystEngComm","2017","","","","","10.1039/C7CE01375B","","","0.71073","MoKα","","0.0869","0.0586","","","0.1628","0.19","","","","","","1.052","","","","has coordinates,has disorder","200157","2020-10-21","18:00:00",""
"7229051","16.521","0.005","8.034","0.003","11.901","0.004","90","","90","","90","","1579.6","0.9","293","2","293","2","","","","","","","","5","P c a 21","P 2c -2ac","29","","","","- C6 H14 Ag3 N5 O12 -","- C6 H14 Ag3 N5 O12 -","- C24 H56 Ag12 N20 O48 -","4","1","","chen, lizhuang; Ji, Qin; Pan, Qi-Jian; Cao, Xing-Xing; Xu, Guang-Cheng","Two Novel Metal-Organic Coordination Polymers Based on Ligand 1,4-Diazabicyclo[2.2.2]octane N,N’-dioxide with Phase Transition, Ferroelectric and Dielectric Properties","CrystEngComm","2017","","","","","10.1039/C7CE00964J","","","0.71073","MoKα","","0.0506","0.0466","","","0.1156","0.1215","","","","","","1.002","","","","has coordinates,has disorder","200158","2020-10-21","18:00:00",""
"7229052","8.8232","0.0003","8.8232","0.0003","9.5989","0.0004","90","","90","","90","","747.26","0.05","296","2","296","2","","","","","","","","6","I 4/m m m","-I 4 2","139","","","","- C6 H20 Ca Cl2 N2 O6 -","- C6 H20 Ca Cl2 N2 O6 -","- C12 H40 Ca2 Cl4 N4 O12 -","2","0.0625","","chen, lizhuang; Ji, Qin; Pan, Qi-Jian; Cao, Xing-Xing; Xu, Guang-Cheng","Two Novel Metal-Organic Coordination Polymers Based on Ligand 1,4-Diazabicyclo[2.2.2]octane N,N’-dioxide with Phase Transition, Ferroelectric and Dielectric Properties","CrystEngComm","2017","","","","","10.1039/C7CE00964J","","","0.71073","MoKα","","0.0618","0.0589","","","0.1563","0.1613","","","","","","1.167","","","","has coordinates","200158","2020-10-21","18:00:00",""
"7229053","11.659","0.004","13.089","0.004","9.589","0.004","90","","90","","90","","1463.3","0.9","173","2","173","2","","","","","","","","6","C m c m","-C 2c 2","63","","","","- C6 H20 Ca Cl2 N2 O6 -","- C6 H20 Ca Cl2 N2 O6 -","- C24 H80 Ca4 Cl8 N8 O24 -","4","0.25","","chen, lizhuang; Ji, Qin; Pan, Qi-Jian; Cao, Xing-Xing; Xu, Guang-Cheng","Two Novel Metal-Organic Coordination Polymers Based on Ligand 1,4-Diazabicyclo[2.2.2]octane N,N’-dioxide with Phase Transition, Ferroelectric and Dielectric Properties","CrystEngComm","2017","","","","","10.1039/C7CE00964J","","","0.71073","MoKα","","0.1007","0.0983","","","0.2476","0.249","","","","","","1.398","","","","has coordinates","200158","2020-10-21","18:00:00",""
"7229054","8.011","0.003","16.63","0.007","11.63","0.005","90","","90.202","0.005","90","","1549.4","1.1","123","2","123","2","","","","","","","","5","C 1 c 1","C -2yc","9","","","","- C6 H14 Ag3 N5 O12 -","- C6 H14 Ag3 N5 O12 -","- C24 H56 Ag12 N20 O48 -","4","1","","chen, lizhuang; Ji, Qin; Pan, Qi-Jian; Cao, Xing-Xing; Xu, Guang-Cheng","Two Novel Metal-Organic Coordination Polymers Based on Ligand 1,4-Diazabicyclo[2.2.2]octane N,N’-dioxide with Phase Transition, Ferroelectric and Dielectric Properties","CrystEngComm","2017","","","","","10.1039/C7CE00964J","","","0.71073","MoKα","","0.039","0.0388","","","0.12","0.1214","","","","","","1.174","","","","has coordinates,has disorder","200158","2020-10-21","18:00:00",""
"7229055","8.8111","0.0007","8.8406","0.0006","11.0875","0.0008","71.938","0.006","83.952","0.006","85.034","0.006","815.21","0.11","292","2","292","2","","","","","","","","5","P -1","-P 1","2","","","","- C18 H22 N O P -","- C18 H22 N O P -","- C36 H44 N2 O2 P2 -","2","1","","Yukang, Wang; Peng, Qian; Su, Ji-Hu; Li, Yanan; Bi, MeiXiang; Zha, Zhenggen; Wang, Zhiyong","Efficient electrosynthesis of phosphinic amides via oxidative cross-coupling between N−H/P−H","Green Chem.","2017","","","","","10.1039/C7GC01989K","","","1.54184","CuKα","","0.0746","0.0676","","","0.176","0.1887","","","","","","1.082","","","","has coordinates","200166","2020-10-21","18:00:00",""
"7229056","13.49822","0.00011","23.26985","0.00016","27.6329","0.0002","90","","91.6656","0.0008","90","","8675.87","0.11","150","1","150","1","","","","","","","","8","P 1 21/c 1","-P 2ybc","14","Bis(1,1,1-tris(diphenylphosphinomethyl)ethane)-tris(mu2-hydroxo)-di-ruthenium(II) truflate methanol water acetonitrile solvate","","","- C88 H99.54 F3 N O10.77 P6 Ru2 S -","- C88 H81 F3 N O10.77 P6 Ru2 S -","- C352 H324 F12 N4 O43.08 P24 Ru8 S4 -","4","1","","Latifi, Elnaz; Marchese, Austin; Hulls, Margaret; Soldatov, Dmitriy V.; Schlaf, Marcel","[Ru(triphos)(CH3CN)3](OTf)2 as a homogeneous catalyst for the hydrogenation of biomass derived 2,5-hexanedione and 2,5-dimethyl-furan in aqueous acidic medium.","Green Chem.","2017","","","","","10.1039/C7GC01956D","","","0.71073","MoKα","","0.0557","0.05","","","0.1261","0.1284","","","","","","1.208","","","","has coordinates,has disorder","200167","2020-10-21","18:00:00",""
"7229057","16.0271","0.0003","13.2323","0.0003","24.2112","0.0005","90","","91.014","0.002","90","","5133.8","0.18","150","2","150","2","","","","","","","","8","P 1 21 1","P 2yb","4","[Ru(MeCN)3(tripphos)](CF3SO3)2","","","- C49 H48 F6 N3 O6 P3 Ru S2 -","- C49 H48 F6 N3 O6 P3 Ru S2 -","- C196 H192 F24 N12 O24 P12 Ru4 S8 -","4","2","","Latifi, Elnaz; Marchese, Austin; Hulls, Margaret; Soldatov, Dmitriy V.; Schlaf, Marcel","[Ru(triphos)(CH3CN)3](OTf)2 as a homogeneous catalyst for the hydrogenation of biomass derived 2,5-hexanedione and 2,5-dimethyl-furan in aqueous acidic medium.","Green Chem.","2017","","","","","10.1039/C7GC01956D","","","0.71073","MoKα","","0.0822","0.0619","","","0.1605","0.1724","","","","","","1.062","","","","has coordinates,has disorder","200168","2020-10-21","18:00:00",""
"7229058","7.116","0.0004","13.6637","0.0007","19.0629","0.0012","90","","90","","90","","1853.5","0.18","123","2","123","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C10 H33 N3 O9 P2 -","- C10 H33 N3 O9 P2 -","- C40 H132 N12 O36 P8 -","4","1","","Forsyth, Craig M.; Deacon, Glen B.; Junk, Peter Courtney; Greenhill, Neil B.","Recurrent supramolecular scenarios within complex 3-D hydrogen bond networks derived from organic ammonium salts of (4-amino-1-hydroxybutylidine)-1,1-bisphosphonic acid.","CrystEngComm","2017","","","","","10.1039/C7CE01034F","","","0.71073","MoKα","","0.0456","0.0362","","","0.0813","0.086","","","","","","1.048","","","","has coordinates","200192","2020-10-21","18:00:00",""
"7229059","6.6881","0.0003","14.5479","0.0008","18.9197","0.0012","90","","95.223","0.005","90","","1833.2","0.18","123","2","123","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C16 H64 N6 O21 P4 -","- C16 H64 N6 O21 P4 -","- C32 H128 N12 O42 P8 -","2","0.5","","Forsyth, Craig M.; Deacon, Glen B.; Junk, Peter Courtney; Greenhill, Neil B.","Recurrent supramolecular scenarios within complex 3-D hydrogen bond networks derived from organic ammonium salts of (4-amino-1-hydroxybutylidine)-1,1-bisphosphonic acid.","CrystEngComm","2017","","","","","10.1039/C7CE01034F","","","0.71073","MoKα","","0.056","0.0398","","","0.0937","0.1037","","","","","","1.036","","","","has coordinates,has disorder","200192","2020-10-21","18:00:00",""
"7229060","6.5601","0.0002","14.3307","0.0004","17.7022","0.0005","90","","91.825","0.002","90","","1663.35","0.08","123","2","123","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C7 H29 N3 O10 P2 -","- C7 H29 N3 O10 P2 -","- C28 H116 N12 O40 P8 -","4","1","","Forsyth, Craig M.; Deacon, Glen B.; Junk, Peter Courtney; Greenhill, Neil B.","Recurrent supramolecular scenarios within complex 3-D hydrogen bond networks derived from organic ammonium salts of (4-amino-1-hydroxybutylidine)-1,1-bisphosphonic acid.","CrystEngComm","2017","","","","","10.1039/C7CE01034F","","","0.71073","MoKα","","0.048","0.0364","","","0.0835","0.0889","","","","","","1.076","","","","has coordinates","200192","2020-10-21","18:00:00",""
"7229061","16.4593","0.0003","12.5327","0.0003","12.4717","0.0003","90","","91.612","0.002","90","","2571.64","0.1","123","2","123","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C10 H39 N13 O14 P2 -","- C10 H39 N13 O14 P2 -","- C40 H156 N52 O56 P8 -","4","1","","Forsyth, Craig M.; Deacon, Glen B.; Junk, Peter Courtney; Greenhill, Neil B.","Recurrent supramolecular scenarios within complex 3-D hydrogen bond networks derived from organic ammonium salts of (4-amino-1-hydroxybutylidine)-1,1-bisphosphonic acid.","CrystEngComm","2017","","","","","10.1039/C7CE01034F","","","1.54184","CuKα","","0.0383","0.031","","","0.0752","0.0805","","","","","","1.031","","","","has coordinates","200192","2020-10-21","18:00:00",""
"7229062","8.8351","0.0002","11.5516","0.0003","28.2122","0.0007","90","","90","","90","","2879.32","0.12","123","2","123","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C6 H25 N3 O9 P2 -","- C6 H25 N3 O9 P2 -","- C48 H200 N24 O72 P16 -","8","1","","Forsyth, Craig M.; Deacon, Glen B.; Junk, Peter Courtney; Greenhill, Neil B.","Recurrent supramolecular scenarios within complex 3-D hydrogen bond networks derived from organic ammonium salts of (4-amino-1-hydroxybutylidine)-1,1-bisphosphonic acid.","CrystEngComm","2017","","","","","10.1039/C7CE01034F","","","1.54184","CuKα","","0.028","0.0253","","","0.0665","0.0688","","","","","","1.066","","","","has coordinates","200192","2020-10-21","18:00:00",""
"7229063","6.8311","0.0002","16.1499","0.0006","18.8388","0.0006","90","","97.751","0.003","90","","2059.34","0.12","123","2","123","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C12 H33 N3 O11 P2 -","- C12 H33 N3 O11 P2 -","- C48 H132 N12 O44 P8 -","4","1","","Forsyth, Craig M.; Deacon, Glen B.; Junk, Peter Courtney; Greenhill, Neil B.","Recurrent supramolecular scenarios within complex 3-D hydrogen bond networks derived from organic ammonium salts of (4-amino-1-hydroxybutylidine)-1,1-bisphosphonic acid.","CrystEngComm","2017","","","","","10.1039/C7CE01034F","","","0.71073","MoKα","","0.0381","0.0312","","","0.0808","0.0857","","","","","","1.064","","","","has coordinates","200192","2020-10-21","18:00:00",""
"7229064","43.221","0.0013","8.4871","0.0002","11.9087","0.0004","90","","98.289","0.003","90","","4322.7","0.2","123","2","123","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C26 H80 N6 O19 P4 -","- C26 H80 N6 O19 P4 -","- C104 H320 N24 O76 P16 -","4","0.5","","Forsyth, Craig M.; Deacon, Glen B.; Junk, Peter Courtney; Greenhill, Neil B.","Recurrent supramolecular scenarios within complex 3-D hydrogen bond networks derived from organic ammonium salts of (4-amino-1-hydroxybutylidine)-1,1-bisphosphonic acid.","CrystEngComm","2017","","","","","10.1039/C7CE01034F","","","1.54178","CuKα","","0.0399","0.033","","","0.0826","0.0879","","","","","","1.042","","","","has coordinates,has disorder","200192","2020-10-21","18:00:00",""
"7229065","8.5015","0.0003","11.7989","0.0004","25.7287","0.001","77.382","0.003","85.424","0.003","90.021","0.003","2510.02","0.16","123","2","123","2","","","","","","","","5","P -1","-P 1","2","","","","- C20 H39 N3 O9 P2 -","- C20 H39 N3 O9 P2 -","- C80 H156 N12 O36 P8 -","4","2","","Forsyth, Craig M.; Deacon, Glen B.; Junk, Peter Courtney; Greenhill, Neil B.","Recurrent supramolecular scenarios within complex 3-D hydrogen bond networks derived from organic ammonium salts of (4-amino-1-hydroxybutylidine)-1,1-bisphosphonic acid.","CrystEngComm","2017","","","","","10.1039/C7CE01034F","","","1.54184","CuKα","","0.0826","0.0709","","","0.216","0.2259","","","","","","1.114","","","","has coordinates","200192","2020-10-21","18:00:00",""
"7229066","7.0822","0.0006","16.2842","0.001","16.4233","0.001","89.909","0.005","82.523","0.006","87.458","0.006","1876.1","0.2","123","2","123","2","","","","","","","","5","P -1","-P 1","2","","","","- C10 H33 N3 O10 P2 -","- C10 H33 N3 O10 P2 -","- C40 H132 N12 O40 P8 -","4","2","","Forsyth, Craig M.; Deacon, Glen B.; Junk, Peter Courtney; Greenhill, Neil B.","Recurrent supramolecular scenarios within complex 3-D hydrogen bond networks derived from organic ammonium salts of (4-amino-1-hydroxybutylidine)-1,1-bisphosphonic acid.","CrystEngComm","2017","","","","","10.1039/C7CE01034F","","","1.54178","CuKα","","0.0862","0.0518","","","0.116","0.1253","","","","","","0.933","","","","has coordinates","200192","2020-10-21","18:00:00",""
"7229067","11.1115","0.0007","12.5077","0.0008","16.1965","0.0004","85.612","0.003","89.685","0.003","64.385","0.006","2022.8","0.2","120","2","120","2","","","","","","","","5","P -1","-P 1","2","","","","- C48 H57 N11 Ni O15 -","- C30 H15 N5 Ni O9 -","- C60 H30 N10 Ni2 O18 -","2","1","","Pfeiffer, Constance R.; Biggins, Naomi; Lewis, William; Champness, Neil R.","Nickel(ii) metal‒organic frameworks with N,N′-di(4-pyridyl)-naphthalenediimide ligands: influence of secondary building unit geometry on dimensionality and framework dimensions","CrystEngComm","2017","","","","","10.1039/C7CE00956A","","x-ray","1.54184","CuKα","","0.0746","0.0543","","","0.1376","0.1498","","","","","","1.033","","","","has coordinates","200193","2020-10-21","18:00:00",""
"7229068","19.5137","0.0006","19.5137","0.0006","22.1533","0.0016","90","","90","","90","","8435.6","0.7","120","2","120","2","","","","","","","","5","I -4 2 d","I -4 2bw","122","","","","- C90 H174 N28 Ni O36 -","- C30 H26 N8 Ni O12 -","- C240 H208 N64 Ni8 O96 -","8","0.5","","Pfeiffer, Constance R.; Biggins, Naomi; Lewis, William; Champness, Neil R.","Nickel(ii) metal‒organic frameworks with N,N′-di(4-pyridyl)-naphthalenediimide ligands: influence of secondary building unit geometry on dimensionality and framework dimensions","CrystEngComm","2017","","","","","10.1039/C7CE00956A","","x-ray","1.54184","CuKα","","0.0769","0.0745","","","0.2014","0.2036","","","","","","1.077","","","","has coordinates,has disorder","200193","2020-10-21","18:00:00",""
"7229069","9.8571","0.0006","11.2573","0.0007","16.1205","0.0008","89.642","0.004","83.978","0.005","82.956","0.005","1765.46","0.18","120","2","120","2","","","","","","","","5","P -1","-P 1","2","","","","- C37 H35 N8 Ni O12 -","- C34 H28 N7 Ni O11 -","- C68 H56 N14 Ni2 O22 -","2","1","","Pfeiffer, Constance R.; Biggins, Naomi; Lewis, William; Champness, Neil R.","Nickel(ii) metal‒organic frameworks with N,N′-di(4-pyridyl)-naphthalenediimide ligands: influence of secondary building unit geometry on dimensionality and framework dimensions","CrystEngComm","2017","","","","","10.1039/C7CE00956A","","x-ray","1.54184","CuKα","","0.0654","0.0593","","","0.1638","0.1703","","","","","","1.063","","","","has coordinates","200193","2020-10-21","18:00:00",""
"7229070","12.7235","0.0011","15.6788","0.0014","22.7752","0.0019","90","","90","","90","","4543.4","0.7","293","2","293","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C42 H68 N5 Si2 Y -","- C42 H68 N5 Si2 Y -","- C168 H272 N20 Si8 Y4 -","4","1","","Miao, Hui; Wang, Shaowu; Zhu, Xiancui; Zhou, Shuangliu; Wei, Yun; Yuan, Qingbing; Mu, Xiaolong","Synthesis, characterization and catalytic activity of rare-earth metal amides incorporating cyclohexyl bridged bis(β-diketiminato) ligands","RSC Adv.","2017","7","68","42792","","10.1039/C7RA07565K","","","0.71073","MoKα","","0.0864","0.0519","","","0.1331","0.1564","","","","","","0.947","","","","has coordinates","200200","2020-10-21","18:00:00",""
"7229071","12.5546","0.0011","15.7504","0.0014","22.813","0.002","90","","90","","90","","4511","0.7","293","2","293","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C42 H68 N5 Si2 Yb -","- C42 H68 N5 Si2 Yb -","- C168 H272 N20 Si8 Yb4 -","4","1","","Miao, Hui; Wang, Shaowu; Zhu, Xiancui; Zhou, Shuangliu; Wei, Yun; Yuan, Qingbing; Mu, Xiaolong","Synthesis, characterization and catalytic activity of rare-earth metal amides incorporating cyclohexyl bridged bis(β-diketiminato) ligands","RSC Adv.","2017","7","68","42792","","10.1039/C7RA07565K","","","0.71073","MoKα","","0.0382","0.0311","","","0.0693","0.073","","","","","","0.936","","","","has coordinates","200200","2020-10-21","18:00:00",""
"7229072","12.4507","0.0011","16.3478","0.0015","22.55","0.002","90","","90","","90","","4589.9","0.7","293","2","293","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C42 H68 N5 Nd Si2 -","- C42 H68 N5 Nd Si2 -","- C168 H272 N20 Nd4 Si8 -","4","1","","Miao, Hui; Wang, Shaowu; Zhu, Xiancui; Zhou, Shuangliu; Wei, Yun; Yuan, Qingbing; Mu, Xiaolong","Synthesis, characterization and catalytic activity of rare-earth metal amides incorporating cyclohexyl bridged bis(β-diketiminato) ligands","RSC Adv.","2017","7","68","42792","","10.1039/C7RA07565K","","","0.71073","MoKα","","0.0442","0.0367","","","0.0998","0.1075","","","","","","0.907","","","","has coordinates","200200","2020-10-21","18:00:00",""
"7229073","12.7402","0.0009","15.6814","0.0011","22.7852","0.0016","90","","90","","90","","4552.1","0.6","293","2","293","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C42 H68 Dy N5 Si2 -","- C42 H68 Dy N5 Si2 -","- C168 H272 Dy4 N20 Si8 -","4","1","","Miao, Hui; Wang, Shaowu; Zhu, Xiancui; Zhou, Shuangliu; Wei, Yun; Yuan, Qingbing; Mu, Xiaolong","Synthesis, characterization and catalytic activity of rare-earth metal amides incorporating cyclohexyl bridged bis(β-diketiminato) ligands","RSC Adv.","2017","7","68","42792","","10.1039/C7RA07565K","","","0.71073","MoKα","","0.0419","0.0334","","","0.0917","0.0982","","","","","","1.01","","","","has coordinates","200200","2020-10-21","18:00:00",""
"7229076","17.249","0.003","28.481","0.005","31.388","0.006","90","","97.584","0.003","90","","15285","5","120","2","120","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C114 H171 Co10 N42 O38 -","- C114 H171 Co10 N42 O38 -","- C456 H684 Co40 N168 O152 -","4","1","","Shao, Dong; Shi, Le; Shen, Fuxing; Wang, Xin-Yi","A cyano-bridged coordination nanotube showing field-induced slow magnetic relaxation","CrystEngComm","2017","","","","","10.1039/C7CE01436H","","","0.71073","MoKα","","0.135","0.0792","","","0.2318","0.2764","","","","","","1.022","","","","has coordinates","200260","2020-10-21","18:00:00",""
"7229077","13.506","0.003","20.537","0.005","20.565","0.005","76.764","0.009","73.713","0.009","73.912","0.009","5190","2","93","","93","","","","","","","","","8","P -1","-P 1","2","","","","- C54 H73 Cr6 Cs2 N6 O69.5 Si W12 -","- C54 Cr6 Cs2 N6 O69.5 Si W12 -","- C108 Cr12 Cs4 N12 O139 Si2 W24 -","2","1","","Uchida, Sayaka; Hosono, Reina; Eguchi, Ryo; Kawahara, Ryosuke; Osuga, Ryota; Kondo, Junko Nomura; Hibino, Mitsuhiro; Mizuno, Noritaka","Proton Conduction in Alkali Metal Ion-Exchanged Porous Ionic Crystals","Phys. Chem. Chem. Phys.","2017","","","","","10.1039/C7CP04619G","","","0.71075","MoKα","","0.1011","0.0724","","","0.1757","0.1936","","","","","","0.956","","","","has coordinates","200274","2020-10-21","18:00:00",""
"7229078","13.535","0.003","20.577","0.005","20.603","0.005","76.6","0.008","73.782","0.008","73.784","0.008","5217","2","93","","93","","","","","","","","","8","P -1","-P 1","2","","","","- C54 H66 Cr6 N6 Na4 O68.5 Si W12 -","- C54 Cr6 N6 Na4 O68.5 Si W12 -","- C108 Cr12 N12 Na8 O137 Si2 W24 -","2","1","","Uchida, Sayaka; Hosono, Reina; Eguchi, Ryo; Kawahara, Ryosuke; Osuga, Ryota; Kondo, Junko Nomura; Hibino, Mitsuhiro; Mizuno, Noritaka","Proton Conduction in Alkali Metal Ion-Exchanged Porous Ionic Crystals","Phys. Chem. Chem. Phys.","2017","","","","","10.1039/C7CP04619G","","","0.71075","MoKα","","0.0963","0.0716","","","0.1757","0.1946","","","","","","0.99","","","","has coordinates","200274","2020-10-21","18:00:00",""
"7229079","8.9201","0.0002","29.7303","0.0008","7.2074","0.00019","90","","97.79","0.003","90","","1893.74","0.08","293","2","293.15","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","DFX-H2O","","- C21 H17 N3 O5 -","- C21 H17 N3 O5 -","- C84 H68 N12 O20 -","4","1","","Du, Qiaohong; Xiong, Xinnuo; Suo, Zili; Tang, Peixiao; He, Jiawei; Zeng, Xia; Hou, Quan; Li, Hui","Investigation of the solid forms of deferasirox: solvate, co-crystal, and amorphous form","RSC Adv.","2017","7","68","43151","","10.1039/C7RA08077H","","x-ray","0.71073","MoKα","","0.0546","0.0432","","","0.0991","0.1076","","","","","","1.038","","","","has coordinates","200275","2020-10-21","18:00:00",""
"7229080","8.9013","0.0004","33.2054","0.0014","7.7293","0.0003","90","","94.21","0.004","90","","2278.39","0.17","293","2","293.15","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","DFX-DMF","","- C24 H22 N4 O5 -","- C24 H22 N4 O5 -","- C96 H88 N16 O20 -","4","1","","Du, Qiaohong; Xiong, Xinnuo; Suo, Zili; Tang, Peixiao; He, Jiawei; Zeng, Xia; Hou, Quan; Li, Hui","Investigation of the solid forms of deferasirox: solvate, co-crystal, and amorphous form","RSC Adv.","2017","7","68","43151","","10.1039/C7RA08077H","","x-ray","0.71073","MoKα","","0.0737","0.0532","","","0.128","0.1456","","","","","","1.046","","","","has coordinates","200275","2020-10-21","18:00:00",""
"7229081","21.5782","0.0006","8.4837","0.0002","37.8874","0.0012","90","","101.377","0.003","90","","6799.5","0.3","293","2","293.15","","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","DFX-2INA","","- C33 H27 N7 O6 -","- C33 H27 N7 O6 -","- C264 H216 N56 O48 -","8","1","","Du, Qiaohong; Xiong, Xinnuo; Suo, Zili; Tang, Peixiao; He, Jiawei; Zeng, Xia; Hou, Quan; Li, Hui","Investigation of the solid forms of deferasirox: solvate, co-crystal, and amorphous form","RSC Adv.","2017","7","68","43151","","10.1039/C7RA08077H","","x-ray","0.71073","MoKα","","0.0586","0.0483","","","0.1212","0.1281","","","","","","1.03","","","","has coordinates","200275","2020-10-21","18:00:00",""
"7229082","9.3205","0.0003","36.1503","0.001","7.1171","0.0003","90","","100.206","0.003","90","","2360.08","0.14","293","2","293.15","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","DFX-INA","","- C27 H21 N5 O5 -","- C27 H21 N5 O5 -","- C108 H84 N20 O20 -","4","1","","Du, Qiaohong; Xiong, Xinnuo; Suo, Zili; Tang, Peixiao; He, Jiawei; Zeng, Xia; Hou, Quan; Li, Hui","Investigation of the solid forms of deferasirox: solvate, co-crystal, and amorphous form","RSC Adv.","2017","7","68","43151","","10.1039/C7RA08077H","","x-ray","0.71073","MoKα","","0.072","0.0558","","","0.1214","0.1297","","","","","","1.085","","","","has coordinates","200275","2020-10-21","18:00:00",""
"7229083","4.8225","0.0014","15.9142","0.0019","18.336","0.003","90","","90","","90","","1407.2","0.5","294","2","294","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C9 H15 Ag N3 O9 P -","- C9 H15 Ag N3 O9 P -","- C36 H60 Ag4 N12 O36 P4 -","4","1","","Terron, Angel; Tomas, Llorenç; Bauza, Antonio; garcia-raso, Angel; Fiol, Juan J.; Molins, Elies; Frontera, Antonio","The First X-Ray Structure of a Silver‒Nucleotide Complex: Interaction of Ion Ag(I) with Cytidine-5’-Monophosphate","CrystEngComm","2017","","","","","10.1039/C7CE01400G","","x-ray","0.71073","MoKα","","0.0418","0.0338","","","0.0812","0.0851","","","","","","1.113","","","","has coordinates","200359","2020-10-21","18:00:00",""
"7229084","10.1333","0.0005","11.1817","0.0006","13.0022","0.0005","67.154","0.004","80.809","0.004","64.995","0.005","1230.4","0.12","298","2","298","2","","","","","","","","6","P -1","-P 1","2","(2-(Adamantan-1-yliminomethyl)-6-methoxy-phenol)(1,2-diiodotetrafluorobenzene)","(2-(Adamantan-1-yliminomethyl)-6-methoxy-phenol)(1,2-diiodotetrafluorobenzene)","","- C24 H23 F4 I2 N O2 -","- C24 H23 F4 I2 N O2 -","- C48 H46 F8 I4 N2 O4 -","2","1","","Zbačnik, Marija; Pajski, Matea; Stilinović, Vladimir; Vitković, Matea; Cinčić, Dominik","The halogen bonding proclivity of the ortho-methoxy‒hydroxy group in cocrystals of o-vanillin imines and diiodotetrafluoro-benzenes","CrystEngComm","2017","","","","","10.1039/C7CE01332A","","","0.71073","MoKα","","0.0572","0.0296","","","0.056","0.0594","","","","","","0.813","","","","has coordinates","200360","2020-10-21","18:00:00",""
"7229085","7.6601","0.0003","12.7245","0.0005","13.2834","0.0006","98.744","0.003","103.077","0.004","107.441","0.004","1169.04","0.09","298","2","298","2","","","","","","","","6","P -1","-P 1","2","(2-Methoxy-6-(naphthalen-1-yliminomethyl)-phenol)(1,4-diiodotetrafluorobenzene)","(2-Methoxy-6-(naphthalen-1-yliminomethyl)-phenol)(1,4-diiodotetrafluorobenzene)","","- C24 H15 F4 I2 N O2 -","- C24 H15 F4 I2 N O2 -","- C48 H30 F8 I4 N2 O4 -","2","1","","Zbačnik, Marija; Pajski, Matea; Stilinović, Vladimir; Vitković, Matea; Cinčić, Dominik","The halogen bonding proclivity of the ortho-methoxy‒hydroxy group in cocrystals of o-vanillin imines and diiodotetrafluoro-benzenes","CrystEngComm","2017","","","","","10.1039/C7CE01332A","","","0.71073","MoKα","","0.0825","0.0463","","","0.1463","0.1567","","","","","","1.11","","","","has coordinates","200360","2020-10-21","18:00:00",""
"7229086","6.5387","0.0003","15.6854","0.0006","11.6872","0.0004","90","","99.614","0.004","90","","1181.83","0.08","298","2","298","2","","","","","","","","6","P 1 21 1","P 2yb","4","(2-Methoxy-6-(naphthalen-1-yliminomethyl)-phenol)(1,3-diiodotetrafluorobenzene)","(2-Methoxy-6-(naphthalen-1-yliminomethyl)-phenol)(1,3-diiodotetrafluorobenzene)","","- C24 H15 F4 I2 N O2 -","- C24 H15 F4 I2 N O2 -","- C48 H30 F8 I4 N2 O4 -","2","1","","Zbačnik, Marija; Pajski, Matea; Stilinović, Vladimir; Vitković, Matea; Cinčić, Dominik","The halogen bonding proclivity of the ortho-methoxy‒hydroxy group in cocrystals of o-vanillin imines and diiodotetrafluoro-benzenes","CrystEngComm","2017","","","","","10.1039/C7CE01332A","","","0.71073","MoKα","","0.0627","0.0372","","","0.08","0.086","","","","","","0.876","","","","has coordinates","200360","2020-10-21","18:00:00",""
"7229087","7.1326","0.0007","13.0545","0.0009","34.263","0.003","90","","90","","90","","3190.3","0.5","298","2","298","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","2-(Adamantan-1-yliminomethyl)-6-methoxy-phenol","2-(Adamantan-1-yliminomethyl)-6-methoxy-phenol","","- C18 H23 N O2 -","- C18 H23 N O2 -","- C144 H184 N8 O16 -","8","1","","Zbačnik, Marija; Pajski, Matea; Stilinović, Vladimir; Vitković, Matea; Cinčić, Dominik","The halogen bonding proclivity of the ortho-methoxy‒hydroxy group in cocrystals of o-vanillin imines and diiodotetrafluoro-benzenes","CrystEngComm","2017","","","","","10.1039/C7CE01332A","","","0.71073","MoKα","","0.1862","0.0414","","","0.0546","0.0674","","","","","","0.62","","","","has coordinates","200360","2020-10-21","18:00:00",""
"7229088","9.226","0.0004","10.0931","0.0004","12.4702","0.0004","95.431","0.003","95.804","0.003","116.039","0.004","1025.36","0.08","298","2","298","2","","","","","","","","6","P -1","-P 1","2","bis(2-(Adamantan-1-yliminomethyl)-6-methoxy-phenol)(14-diiodotetrafluorobenzene)","bis(2-(Adamantan-1-yliminomethyl)-6-methoxy-phenol)(14-diiodotetrafluorobenzene)","","- C42 H46 F4 I2 N2 O4 -","- C42 H46 F4 I2 N2 O4 -","- C42 H46 F4 I2 N2 O4 -","1","0.5","","Zbačnik, Marija; Pajski, Matea; Stilinović, Vladimir; Vitković, Matea; Cinčić, Dominik","The halogen bonding proclivity of the ortho-methoxy‒hydroxy group in cocrystals of o-vanillin imines and diiodotetrafluoro-benzenes","CrystEngComm","2017","","","","","10.1039/C7CE01332A","","","0.71073","MoKα","","0.0687","0.0549","","","0.1534","0.1586","","","","","","0.993","","","","has coordinates","200360","2020-10-21","18:00:00",""
"7229089","24.4632","0.0017","9.9876","0.0007","6.6405","0.0005","90","","93.113","0.006","90","","1620.1","0.2","364","","364","","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","poly[[aquacalcium(II)]-μ-~3~-(4,4?-dimethoxy-3,3?-biphenyldicarboxylato)]","","- C16 H14 Ca O7 -","- C16 H14 Ca O7 -","- C64 H56 Ca4 O28 -","4","1","","Lundvall, Fredrik; Wragg, David; Vajeeston, Pooniah; Dietzel, Pascal D. C.; Fjellvåg, Helmer","Ab initio structure solution and thermal stability evaluation of a new Ca(II) 3D coordination polymer using synchrotron powder X-ray diffraction data","CrystEngComm","2017","","","","","10.1039/C7CE01389B","powder diffraction","","0.6954","synchrotron","","","","","","","","","4.241","49.33","","","","","","","has coordinates","200390","2020-10-21","18:00:00",""
"7229090","25.0265","0.0015","10.0028","0.0006","6.6715","0.0003","90","","94.482","0.005","90","","1665","0.16","294","","294","","","","","","","","","4","P 1 21/n 1","-P 2yn","14","CPO-70-Ca (AS)","poly[[aquacalcium(II)]-μ-~3~-(4,4?-dimethoxy-3,3?-biphenyldicarboxylato) aqua monosolvate]","","- C16 H16 Ca O8 -","- C16 H15.72 Ca O7.86 -","- C64 H62.88 Ca4 O31.44 -","4","1","","Lundvall, Fredrik; Wragg, David; Vajeeston, Pooniah; Dietzel, Pascal D. C.; Fjellvåg, Helmer","Ab initio structure solution and thermal stability evaluation of a new Ca(II) 3D coordination polymer using synchrotron powder X-ray diffraction data","CrystEngComm","2017","","","","","10.1039/C7CE01389B","powder diffraction","","0.6954","synchrotron","","","","","","","","","4.468","47.57","","","","","","","has coordinates","200390","2020-10-21","18:00:00",""
"7229091","16.0748","0.0004","16.0748","0.0004","22.7327","0.0013","90","","90","","90","","5874.1","0.4","296","2","296","2","","","","","","","","6","P 42/n","-P 4bc","86","","","","- C28 H136 N14 O82 S16 Sm10 -","- C28 H112 N14 O82 S16 Sm10 -","- C56 H224 N28 O164 S32 Sm20 -","2","","","Xue, Yuanshan; Shi, Dayou; Zhang, Haitao; Ju, Weiwei; Mei, Hua; Xu, Yan","A Series of Color-Tunable Light-Emitting Open-Framework Lanthanide Sulfates Containing Extra-Large 36-Membered Ring Channels","CrystEngComm","2017","","","","","10.1039/C7CE01319A","","","0.71073","MoKα","","0.0615","0.0373","","","0.1055","0.1221","","","","","","1.092","","","","has coordinates","200391","2020-10-21","18:00:00",""
"7229092","16.144","0.006","16.144","0.006","22.809","0.009","90","","90","","90","","5945","4","296","2","296","2","","","","","","","","6","P 42/n","-P 4bc","86","","","","- C28 H138 N14 O82 S16 Tb10 -","- C28 H112 N14 O82 S16 Tb10 -","- C56 H224 N28 O164 S32 Tb20 -","2","","","Xue, Yuanshan; Shi, Dayou; Zhang, Haitao; Ju, Weiwei; Mei, Hua; Xu, Yan","A Series of Color-Tunable Light-Emitting Open-Framework Lanthanide Sulfates Containing Extra-Large 36-Membered Ring Channels","CrystEngComm","2017","","","","","10.1039/C7CE01319A","","","0.71073","MoKα","","0.0989","0.053","","","0.127","0.1392","","","","","","1.112","","","","has coordinates","200391","2020-10-21","18:00:00",""
"7229093","15.98","0.0007","15.98","0.0007","22.646","0.002","90","","90","","90","","5782.9","0.6","296","2","296","2","","","","","","","","6","P 42/n","-P 4bc","86","","","","- C28 H136 Er10 N14 O82 S16 -","- C28 H112 Er10 N14 O82 S16 -","- C56 H224 Er20 N28 O164 S32 -","2","","","Xue, Yuanshan; Shi, Dayou; Zhang, Haitao; Ju, Weiwei; Mei, Hua; Xu, Yan","A Series of Color-Tunable Light-Emitting Open-Framework Lanthanide Sulfates Containing Extra-Large 36-Membered Ring Channels","CrystEngComm","2017","","","","","10.1039/C7CE01319A","","","0.71073","MoKα","","0.1297","0.0981","","","0.181","0.19","","","","","","1.169","","","","has coordinates","200391","2020-10-21","18:00:00",""
"7229094","16.0974","0.0013","16.0974","0.0013","22.864","0.0018","90","","90","","90","","5924.7","0.8","296","2","296","2","","","","","","","","6","P 42/n","-P 4bc","86","","","","- C28 H136 Eu10 N14 O82 S16 -","- C28 H112 Eu10 N14 O82 S16 -","- C56 H224 Eu20 N28 O164 S32 -","2","","","Xue, Yuanshan; Shi, Dayou; Zhang, Haitao; Ju, Weiwei; Mei, Hua; Xu, Yan","A Series of Color-Tunable Light-Emitting Open-Framework Lanthanide Sulfates Containing Extra-Large 36-Membered Ring Channels","CrystEngComm","2017","","","","","10.1039/C7CE01319A","","","0.71073","MoKα","","0.1101","0.0888","","","0.1888","0.1959","","","","","","1.18","","","","has coordinates","200391","2020-10-21","18:00:00",""
"7229095","16.0542","0.0005","16.0542","0.0005","22.7238","0.0014","90","","90","","90","","5856.8","0.4","296","2","296","2","","","","","","","","6","P 42/n","-P 4bc","86","","","","- C28 H136 Dy10 N14 O82 S16 -","- C28 H112 Dy10 N14 O82 S16 -","- C56 H224 Dy20 N28 O164 S32 -","2","","","Xue, Yuanshan; Shi, Dayou; Zhang, Haitao; Ju, Weiwei; Mei, Hua; Xu, Yan","A Series of Color-Tunable Light-Emitting Open-Framework Lanthanide Sulfates Containing Extra-Large 36-Membered Ring Channels","CrystEngComm","2017","","","","","10.1039/C7CE01319A","","","0.71073","MoKα","","0.0734","0.0502","","","0.1222","0.1304","","","","","","1.051","","","","has coordinates","200391","2020-10-21","18:00:00",""
"7229096","15.883","0.007","5.585","0.004","10.779","0.01","90","","108.17","0.01","90","","908.5","1.1","293","2","293","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C5 H9 N2 Na O4 S -","- C5 H9 N2 Na O4 S -","- C20 H36 N8 Na4 O16 S4 -","4","1","","ARDIZZOIA, G.ATTILIO; Brenna, Stefano; Civati, Francesco; Colombo, Valentina; Sironi, Angelo","A Phosphorescent Copper(I) Coordination Polymer with Sodium 3,5-dimethyl-4-sulfonate Pyrazolate","CrystEngComm","2017","","","","","10.1039/C7CE01404J","","","0.71073","MoKα","","0.0785","0.0514","","","0.0952","0.1012","","","","","","1.111","","","","has coordinates","212110","2020-10-21","18:00:00",""
"7229097","31.61138","0.00054","5.54791","0.00014","10.82291","0.0003","90","","96.9743","0.002","90","","1884.05","0.08","298","2","298","2","","","","","","","synthesis","7","C 1 2/c 1","-C 2yc","15","CuLNa*H2O","","","- C40 H64 Cu8 N16 Na8 O32 S8 -","- C5 H6 Cu N2 Na O4 S -","- C40 H48 Cu8 N16 Na8 O32 S8 -","8","1","","ARDIZZOIA, G.ATTILIO; Brenna, Stefano; Civati, Francesco; Colombo, Valentina; Sironi, Angelo","A Phosphorescent Copper(I) Coordination Polymer with Sodium 3,5-dimethyl-4-sulfonate Pyrazolate","CrystEngComm","2017","","","","","10.1039/C7CE01404J","powder diffraction","","","CuKα","","","","","","","","","","","","","","","","","has coordinates","200508","2020-10-21","18:00:00",""
"7229098","13.622","0.003","16.126","0.003","18.28","0.004","90","","109.949","0.003","90","","3774.6","1.4","293.15","","293.15","","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C30 H18 Cd3 N6 O12 -","- C30 H18 Cd3 N6 O12 -","- C120 H72 Cd12 N24 O48 -","4","0.5","","Li, Ke; Blatov, Vladislav A.; Fan, Tao; Zheng, Tian-Rui; Zhang, Ya-Qian; Li, Bao-Long; Wu, Bing","A series of Cd(II) coordination polymers based on flexible bis(triazole) and multicarboxylate ligands: topological diversity, entanglement and properties","CrystEngComm","2017","","","","","10.1039/C7CE01176H","","","0.71075","MoKα","","0.0574","0.0441","","","0.1001","0.1064","","","","","","1.078","","","","has coordinates","200510","2020-10-21","18:00:00",""
"7229099","14.934","0.002","16.586","0.003","10.0901","0.0016","90","","90","","90","","2499.3","0.7","293.15","","293.15","","","","","","","","","5","P b c n","-P 2n 2ab","60","","","","- C26 H22 Cd N6 O5 -","- C26 H20 Cd N6 O5 -","- C104 H80 Cd4 N24 O20 -","4","0.5","","Li, Ke; Blatov, Vladislav A.; Fan, Tao; Zheng, Tian-Rui; Zhang, Ya-Qian; Li, Bao-Long; Wu, Bing","A series of Cd(II) coordination polymers based on flexible bis(triazole) and multicarboxylate ligands: topological diversity, entanglement and properties","CrystEngComm","2017","","","","","10.1039/C7CE01176H","","","0.710747","MoKα","","0.0362","0.0277","","","0.07","0.0734","","","","","","1.041","","","","has coordinates,has disorder","200510","2020-10-21","18:00:00",""
"7229100","18.4042","0.0005","15.8373","0.0003","27.9693","0.0007","90","","90","","90","","8152.3","0.3","223","0.1","223","0.1","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C80 H78 Cd4 N12 O27 -","- C80 H68 Cd4 N12 O27 -","- C320 H272 Cd16 N48 O108 -","4","0.5","","Li, Ke; Blatov, Vladislav A.; Fan, Tao; Zheng, Tian-Rui; Zhang, Ya-Qian; Li, Bao-Long; Wu, Bing","A series of Cd(II) coordination polymers based on flexible bis(triazole) and multicarboxylate ligands: topological diversity, entanglement and properties","CrystEngComm","2017","","","","","10.1039/C7CE01176H","","","0.71073","MoKα","","0.0421","0.0298","","","0.0668","0.0715","","","","","","1.051","","","","has coordinates,has disorder","200510","2020-10-21","18:00:00",""
"7229101","9.785","0.002","10.345","0.003","11.126","0.003","78.4","0.009","82.174","0.012","82.427","0.011","1086.6","0.5","293.15","","293.15","","","","","","","","","5","P -1","-P 1","2","","","","- C20 H20 Cd N6 O6 -","- C20 H20 Cd N6 O6 -","- C40 H40 Cd2 N12 O12 -","2","1","","Li, Ke; Blatov, Vladislav A.; Fan, Tao; Zheng, Tian-Rui; Zhang, Ya-Qian; Li, Bao-Long; Wu, Bing","A series of Cd(II) coordination polymers based on flexible bis(triazole) and multicarboxylate ligands: topological diversity, entanglement and properties","CrystEngComm","2017","","","","","10.1039/C7CE01176H","","","0.71075","MoKα","","0.0271","0.0228","","","0.0524","0.0534","","","","","","1.002","","","","has coordinates,has disorder","200510","2020-10-21","18:00:00",""
"7229102","11.0996","0.0005","17.0411","0.0008","22.1425","0.001","90","","95.144","0.001","90","","4171.4","0.3","273","2","273.15","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C40 H38 Cd2 N12 O11 -","- C40 H38 Cd2 N12 O11 -","- C160 H152 Cd8 N48 O44 -","4","1","","Li, Ke; Blatov, Vladislav A.; Fan, Tao; Zheng, Tian-Rui; Zhang, Ya-Qian; Li, Bao-Long; Wu, Bing","A series of Cd(II) coordination polymers based on flexible bis(triazole) and multicarboxylate ligands: topological diversity, entanglement and properties","CrystEngComm","2017","","","","","10.1039/C7CE01176H","","","0.71073","MoKα","","0.0369","0.026","","","0.0565","0.0604","","","","","","1.038","","","","has coordinates","200510","2020-10-21","18:00:00",""
"7229103","24.418","0.007","15.686","0.004","21.471","0.006","90","","114.597","0.005","90","","7478","4","293.15","","293.15","","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C56 H56 Cd5 N18 O24 -","- C56 H56 Cd5 N18 O24 -","- C224 H224 Cd20 N72 O96 -","4","0.5","","Li, Ke; Blatov, Vladislav A.; Fan, Tao; Zheng, Tian-Rui; Zhang, Ya-Qian; Li, Bao-Long; Wu, Bing","A series of Cd(II) coordination polymers based on flexible bis(triazole) and multicarboxylate ligands: topological diversity, entanglement and properties","CrystEngComm","2017","","","","","10.1039/C7CE01176H","","","0.71075","MoKα","","0.0844","0.0697","","","0.1732","0.1842","","","","","","1.095","","","","has coordinates","200510","2020-10-21","18:00:00",""
"7229104","17.1401","0.0011","6.7651","0.0004","22.1684","0.0012","90","","94.427","0.003","90","","2562.9","0.3","293","","293","","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C14 H9 Cd N3 O4 -","- C14 H9 Cd N3 O4 -","- C112 H72 Cd8 N24 O32 -","8","1","","Li, Ke; Blatov, Vladislav A.; Fan, Tao; Zheng, Tian-Rui; Zhang, Ya-Qian; Li, Bao-Long; Wu, Bing","A series of Cd(II) coordination polymers based on flexible bis(triazole) and multicarboxylate ligands: topological diversity, entanglement and properties","CrystEngComm","2017","","","","","10.1039/C7CE01176H","","","0.71073","MoKα","","0.024","0.0229","","","0.0566","0.0572","","","","","","1.075","","","","has coordinates","200510","2020-10-21","18:00:00",""
"7229105","7.641","0.003","19.081","0.007","15.21","0.006","90","","91.496","0.007","90","","2216.8","1.5","293.15","","293.15","","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C21 H20 Cd N6 O6 -","- C21 H20 Cd N6 O6 -","- C84 H80 Cd4 N24 O24 -","4","1","","Li, Ke; Blatov, Vladislav A.; Fan, Tao; Zheng, Tian-Rui; Zhang, Ya-Qian; Li, Bao-Long; Wu, Bing","A series of Cd(II) coordination polymers based on flexible bis(triazole) and multicarboxylate ligands: topological diversity, entanglement and properties","CrystEngComm","2017","","","","","10.1039/C7CE01176H","","","0.71075","MoKα","","0.103","0.0768","","","0.2293","0.2416","","","","","","1.062","","","","has coordinates","200510","2020-10-21","18:00:00",""
"7229106","9.915","0.003","4.8296","0.0013","11.944","0.003","90","","92.907","0.009","90","","571.2","0.3","100","2","100","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C9 H20 N2 O4 -","- C9 H20 N2 O4 -","- C18 H40 N4 O8 -","2","1","","Smets, M. M. H.; Kalkman, E.; Tinnemans, P.; Krieger, A. M.; Meekes, H.; Cuppen, H. M.","Polymorphism of the quasiracemate d-2-aminobutyric acid:l-norvaline","CrystEngComm","2017","","","","","10.1039/C7CE01270E","","","0.71073","MoKα","","0.0921","0.0677","","","0.1715","0.1869","","","","","","1.053","","","","has coordinates","200511","2020-10-21","18:00:00",""
"7229107","26.39","0.004","4.7685","0.0007","9.8738","0.0014","90","","102.406","0.005","90","","1213.5","0.3","150","2","150","2","","","","","","","","4","C 1 2 1","C 2y","5","","","","- C9 H20 N2 O4 -","- C9 H20 N2 O4 -","- C36 H80 N8 O16 -","4","1","","Smets, M. M. H.; Kalkman, E.; Tinnemans, P.; Krieger, A. M.; Meekes, H.; Cuppen, H. M.","Polymorphism of the quasiracemate d-2-aminobutyric acid:l-norvaline","CrystEngComm","2017","","","","","10.1039/C7CE01270E","","","0.71073","MoKα","","0.0383","0.0321","","","0.084","0.0882","","","","","","1.039","","","","has coordinates,has disorder","200511","2020-10-21","18:00:00",""
"7229108","9.2793","0.0005","12.9527","0.0007","16.6542","0.001","90","","99.379","0.006","90","","1974.94","0.19","150","2","150","2","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","Nitro(N,N,N,N'-tetraethyldiethylenetriamine)palladium(II) trifluoromethanesulfonate","","- C13 H29 F3 N4 O5 Pd S -","- C13 H29 F3 N4 O5 Pd S -","- C52 H116 F12 N16 O20 Pd4 S4 -","4","1","","Hatcher, Lauren E.; Raithby, Paul R.","The Impact of Hydrogen Bonding on 100% Photo-Switching in Solid-State Nitro-Nitrito Linkage Isomers","CrystEngComm","2017","","","","","10.1039/C7CE01366C","","","0.71073","MoKα","","0.0481","0.0323","","","0.0613","0.0668","","","","","","1.035","","","","has coordinates","200512","2020-10-21","18:00:00",""
"7229109","9.2792","0.0004","13.0556","0.0005","16.7552","0.0007","90","","98.611","0.004","90","","2006.94","0.14","150","2","150","2","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","Nitro(N,N,N,N'-tetraethyldiethylenetriamine)palladium(II) trifluoromethanesulfonate","","- C13 H29 F3 N4 O5 Pd S -","- C13 H29 F3 N4 O5 Pd S -","- C52 H116 F12 N16 O20 Pd4 S4 -","4","1","","Hatcher, Lauren E.; Raithby, Paul R.","The Impact of Hydrogen Bonding on 100% Photo-Switching in Solid-State Nitro-Nitrito Linkage Isomers","CrystEngComm","2017","","","","","10.1039/C7CE01366C","","","0.71073","MoKα","","0.0481","0.0344","","","0.0698","0.0757","","","","","","1.044","","","","has coordinates,has disorder","200512","2020-10-21","18:00:00",""
"7229110","9.2318","0.0004","13.1472","0.0006","17.0207","0.0009","90","","96.736","0.005","90","","2051.58","0.17","150","2","150","2","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","Nitro(N,N,N,N'-tetraethyldiethylenetriamine)palladium(II) trifluoromethanesulfonate","","- C13 H29 F3 N4 O5 Pd S -","- C13 H29 F3 N4 O5 Pd S -","- C52 H116 F12 N16 O20 Pd4 S4 -","4","1","","Hatcher, Lauren E.; Raithby, Paul R.","The Impact of Hydrogen Bonding on 100% Photo-Switching in Solid-State Nitro-Nitrito Linkage Isomers","CrystEngComm","2017","","","","","10.1039/C7CE01366C","","","0.71073","MoKα","","0.045","0.0309","","","0.0596","0.0649","","","","","","1.029","","","","has coordinates","200512","2020-10-21","18:00:00",""
"7229111","9.2754","0.0004","13.0534","0.0005","16.7384","0.0007","90","","98.677","0.004","90","","2003.41","0.14","140","2","140","2","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","Nitro(N,N,N,N'-tetraethyldiethylenetriamine)palladium(II) trifluoromethanesulfonate","","- C13 H29 F3 N4 O5 Pd S -","- C13 H29 F3 N4 O5 Pd S -","- C52 H116 F12 N16 O20 Pd4 S4 -","4","1","","Hatcher, Lauren E.; Raithby, Paul R.","The Impact of Hydrogen Bonding on 100% Photo-Switching in Solid-State Nitro-Nitrito Linkage Isomers","CrystEngComm","2017","","","","","10.1039/C7CE01366C","","","0.71073","MoKα","","0.0468","0.0328","","","0.0676","0.0736","","","","","","1.059","","","","has coordinates,has disorder","200512","2020-10-21","18:00:00",""
"7229112","9.271","0.0004","13.0533","0.0005","16.7207","0.0007","90","","98.733","0.004","90","","2000.03","0.14","130","2","130","2","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","Nitro(N,N,N,N'-tetraethyldiethylenetriamine)palladium(II) trifluoromethanesulfonate","","- C13 H29 F3 N4 O5 Pd S -","- C13 H29 F3 N4 O5 Pd S -","- C52 H116 F12 N16 O20 Pd4 S4 -","4","1","","Hatcher, Lauren E.; Raithby, Paul R.","The Impact of Hydrogen Bonding on 100% Photo-Switching in Solid-State Nitro-Nitrito Linkage Isomers","CrystEngComm","2017","","","","","10.1039/C7CE01366C","","","0.71073","MoKα","","0.0459","0.0328","","","0.0653","0.0711","","","","","","1.051","","","","has coordinates,has disorder","200512","2020-10-21","18:00:00",""
"7229113","9.2897","0.0004","13.0472","0.0005","16.673","0.0008","90","","98.853","0.004","90","","1996.77","0.15","293","2","293","2","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","Nitro(N,N,N',N'-tetraethyldiethylenetriamine)palladium(II) trifluoromethanesulfonate","","- C13 H29 F3 N4 O5 Pd S -","- C13 H29 F3 N4 O5 Pd S -","- C52 H116 F12 N16 O20 Pd4 S4 -","4","1","","Hatcher, Lauren E.; Raithby, Paul R.","The Impact of Hydrogen Bonding on 100% Photo-Switching in Solid-State Nitro-Nitrito Linkage Isomers","CrystEngComm","2017","","","","","10.1039/C7CE01366C","","","0.71073","MoKα","","0.0434","0.0313","","","0.0642","0.0697","","","","","","1.051","","","","has coordinates,has disorder","200512","2020-10-21","18:00:00",""
"7229114","9.2937","0.0005","12.9717","0.0006","16.6893","0.0009","90","","99.227","0.005","90","","1985.95","0.18","170","2","170","2","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","Nitro(N,N,N,N'-tetraethyldiethylenetriamine)palladium(II) trifluoromethanesulfonate","","- C13 H29 F3 N4 O5 Pd S -","- C13 H29 F3 N4 O5 Pd S -","- C52 H116 F12 N16 O20 Pd4 S4 -","4","1","","Hatcher, Lauren E.; Raithby, Paul R.","The Impact of Hydrogen Bonding on 100% Photo-Switching in Solid-State Nitro-Nitrito Linkage Isomers","CrystEngComm","2017","","","","","10.1039/C7CE01366C","","","0.71073","MoKα","","0.0479","0.0328","","","0.0663","0.0733","","","","","","1.024","","","","has coordinates,has disorder","200512","2020-10-21","18:00:00",""
"7229115","9.2812","0.0004","13.0534","0.0006","16.6886","0.0008","90","","98.782","0.004","90","","1998.14","0.16","110","2","110","2","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","Nitro(N,N,N,N'-tetraethyldiethylenetriamine)palladium(II) trifluoromethanesulfonate","","- C13 H29 F3 N4 O5 Pd S -","- C13 H29 F3 N4 O5 Pd S -","- C52 H116 F12 N16 O20 Pd4 S4 -","4","1","","Hatcher, Lauren E.; Raithby, Paul R.","The Impact of Hydrogen Bonding on 100% Photo-Switching in Solid-State Nitro-Nitrito Linkage Isomers","CrystEngComm","2017","","","","","10.1039/C7CE01366C","","","0.71073","MoKα","","0.0449","0.0324","","","0.0674","0.073","","","","","","1.053","","","","has coordinates,has disorder","200512","2020-10-21","18:00:00",""
"7229116","9.2479","0.0004","13.1454","0.0005","17.0808","0.001","90","","96.51","0.004","90","","2063.08","0.17","190","2","190","2","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","Nitro(N,N,N,N'-tetraethyldiethylenetriamine)palladium(II) trifluoromethanesulfonate","","- C13 H29 F3 N4 O5 Pd S -","- C13 H29 F3 N4 O5 Pd S -","- C52 H116 F12 N16 O20 Pd4 S4 -","4","1","","Hatcher, Lauren E.; Raithby, Paul R.","The Impact of Hydrogen Bonding on 100% Photo-Switching in Solid-State Nitro-Nitrito Linkage Isomers","CrystEngComm","2017","","","","","10.1039/C7CE01366C","","","0.71073","MoKα","","0.0483","0.0328","","","0.0653","0.0718","","","","","","1.018","","","","has coordinates","200512","2020-10-21","18:00:00",""
"7229117","9.307","0.001","13.0321","0.0014","16.893","0.002","90","","98.34","0.011","90","","2027.3","0.4","293","2","293","2","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","Nitro(N,N,N',N'-tetraethyldiethylenetriamine)palladium(II) trifluoromethanesulfonate","","- C13 H29 F3 N4 O5 Pd S -","- C13 H29 F3 N4 O5 Pd S -","- C52 H116 F12 N16 O20 Pd4 S4 -","4","1","","Hatcher, Lauren E.; Raithby, Paul R.","The Impact of Hydrogen Bonding on 100% Photo-Switching in Solid-State Nitro-Nitrito Linkage Isomers","CrystEngComm","2017","","","","","10.1039/C7CE01366C","","","0.71073","MoKα","","0.1213","0.0881","","","0.207","0.2445","","","","","","1.107","","","","has coordinates,has disorder","200512","2020-10-21","18:00:00",""
"7229118","9.3167","0.0008","13.0913","0.0011","17.0815","0.0016","90","","97.385","0.009","90","","2066.1","0.3","293","2","293","2","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","Nitro(N,N,N',N'-tetraethyldiethylenetriamine)platinum(II) trifluoromethanesulfonate","","- C13 H29 F3 N4 O5 Pt S -","- C13 H29 F3 N4 O5 Pt S -","- C52 H116 F12 N16 O20 Pt4 S4 -","4","1","","Hatcher, Lauren E.; Raithby, Paul R.","The Impact of Hydrogen Bonding on 100% Photo-Switching in Solid-State Nitro-Nitrito Linkage Isomers","CrystEngComm","2017","","","","","10.1039/C7CE01366C","","","0.71073","MoKα","","0.0692","0.0522","","","0.1101","0.1256","","","","","","1.056","","","","has coordinates,has disorder","200512","2020-10-21","18:00:00",""
"7229119","9.2551","0.0004","13.1357","0.0005","17.1243","0.001","90","","96.291","0.005","90","","2069.3","0.17","272","2","272","2","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","Nitro(N,N,N,N'-tetraethyldiethylenetriamine)palladium(II) trifluoromethanesulfonate","","- C13 H29 F3 N4 O5 Pd S -","- C13 H29 F3 N4 O5 Pd S -","- C52 H116 F12 N16 O20 Pd4 S4 -","4","1","","Hatcher, Lauren E.; Raithby, Paul R.","The Impact of Hydrogen Bonding on 100% Photo-Switching in Solid-State Nitro-Nitrito Linkage Isomers","CrystEngComm","2017","","","","","10.1039/C7CE01366C","","","0.71073","MoKα","","0.0483","0.0325","","","0.0602","0.0664","","","","","","1.03","","","","has coordinates","200512","2020-10-21","18:00:00",""
"7229120","9.3062","0.0005","13.1239","0.0006","17.3489","0.0012","90","","95.366","0.006","90","","2109.6","0.2","300","2","300","2","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","Nitro(N,N,N,N'-tetraethyldiethylenetriamine)palladium(II) trifluoromethanesulfonate","","- C13 H29 F3 N4 O5 Pd S -","- C13 H29 F3 N4 O5 Pd S -","- C52 H116 F12 N16 O20 Pd4 S4 -","4","1","","Hatcher, Lauren E.; Raithby, Paul R.","The Impact of Hydrogen Bonding on 100% Photo-Switching in Solid-State Nitro-Nitrito Linkage Isomers","CrystEngComm","2017","","","","","10.1039/C7CE01366C","","","0.71073","MoKα","","0.0628","0.0382","","","0.0666","0.0754","","","","","","1.04","","","","has coordinates","200512","2020-10-21","18:00:00",""
"7229121","9.3256","0.0002","12.9851","0.0003","16.7595","0.0004","90","","99.118","0.002","90","","2003.83","0.08","200","2","200","2","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","Nitro(N,N,N',N'-tetraethyldiethylenetriamine)platinum(II) trifluoromethanesulfonate","","- C13 H29 F3 N4 O5 Pt S -","- C13 H29 F3 N4 O5 Pt S -","- C52 H116 F12 N16 O20 Pt4 S4 -","4","1","","Hatcher, Lauren E.; Raithby, Paul R.","The Impact of Hydrogen Bonding on 100% Photo-Switching in Solid-State Nitro-Nitrito Linkage Isomers","CrystEngComm","2017","","","","","10.1039/C7CE01366C","","","0.71073","MoKα","","0.0236","0.0186","","","0.0397","0.0415","","","","","","1.047","","","","has coordinates,has disorder","200512","2020-10-21","18:00:00",""
"7229122","9.3072","0.0004","13.0089","0.0005","16.7706","0.0009","90","","98.852","0.005","90","","2006.34","0.16","130","2","130","2","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","Nitro(N,N,N',N'-tetraethyldiethylenetriamine)platinum(II) trifluoromethanesulfonate","","- C13 H29 F3 N4 O5 Pt S -","- C13 H29 F3 N4 O5 Pt S -","- C52 H116 F12 N16 O20 Pt4 S4 -","4","1","","Hatcher, Lauren E.; Raithby, Paul R.","The Impact of Hydrogen Bonding on 100% Photo-Switching in Solid-State Nitro-Nitrito Linkage Isomers","CrystEngComm","2017","","","","","10.1039/C7CE01366C","","","0.71073","MoKα","","0.0546","0.0381","","","0.0829","0.0914","","","","","","1.032","","","","has coordinates,has disorder","200512","2020-10-21","18:00:00",""
"7229123","9.3116","0.0004","13.0129","0.0005","16.7859","0.0009","90","","98.811","0.004","90","","2009.96","0.16","140","2","140","2","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","Nitro(N,N,N',N'-tetraethyldiethylenetriamine)platinum(II) trifluoromethanesulfonate","","- C13 H29 F3 N4 O5 Pt S -","- C13 H29 F3 N4 O5 Pt S -","- C52 H116 F12 N16 O20 Pt4 S4 -","4","1","","Hatcher, Lauren E.; Raithby, Paul R.","The Impact of Hydrogen Bonding on 100% Photo-Switching in Solid-State Nitro-Nitrito Linkage Isomers","CrystEngComm","2017","","","","","10.1039/C7CE01366C","","","0.71073","MoKα","","0.055","0.0384","","","0.0822","0.0904","","","","","","1.046","","","","has coordinates,has disorder","200512","2020-10-21","18:00:00",""
"7229124","9.2898","0.0005","13.0891","0.0005","16.8662","0.0011","90","","98.239","0.005","90","","2029.68","0.19","100","2","100","2","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","Nitro(N,N,N',N'-tetraethyldiethylenetriamine)platinum(II) trifluoromethanesulfonate","","- C13 H29 F3 N4 O5 Pt S -","- C13 H29 F3 N4 O5 Pt S -","- C52 H116 F12 N16 O20 Pt4 S4 -","4","1","","Hatcher, Lauren E.; Raithby, Paul R.","The Impact of Hydrogen Bonding on 100% Photo-Switching in Solid-State Nitro-Nitrito Linkage Isomers","CrystEngComm","2017","","","","","10.1039/C7CE01366C","","","0.71073","MoKα","","0.0452","0.0332","","","0.0708","0.0766","","","","","","1.04","","","","has coordinates,has disorder","200512","2020-10-21","18:00:00",""
"7229125","9.2331","0.0003","13.1391","0.0004","16.9695","0.0005","90","","97.1","0.003","90","","2042.86","0.11","100","2","100","2","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","Nitro(N,N,N',N'-tetraethyldiethylenetriamine)platinum(II) trifluoromethanesulfonate","","- C13 H29 F3 N4 O5 Pt S -","- C13 H29 F3 N4 O5 Pt S -","- C52 H116 F12 N16 O20 Pt4 S4 -","4","1","","Hatcher, Lauren E.; Raithby, Paul R.","The Impact of Hydrogen Bonding on 100% Photo-Switching in Solid-State Nitro-Nitrito Linkage Isomers","CrystEngComm","2017","","","","","10.1039/C7CE01366C","","","0.71073","MoKα","","0.0358","0.0279","","","0.0627","0.0666","","","","","","1.033","","","","has coordinates","200512","2020-10-21","18:00:00",""
"7229126","9.3067","0.0004","13.0094","0.0005","16.7577","0.0008","90","","98.924","0.004","90","","2004.37","0.15","120","2","120","2","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","Nitro(N,N,N',N'-tetraethyldiethylenetriamine)platinum(II) trifluoromethanesulfonate","","- C13 H29 F3 N4 O5 Pt S -","- C13 H29 F3 N4 O5 Pt S -","- C52 H116 F12 N16 O20 Pt4 S4 -","4","1","","Hatcher, Lauren E.; Raithby, Paul R.","The Impact of Hydrogen Bonding on 100% Photo-Switching in Solid-State Nitro-Nitrito Linkage Isomers","CrystEngComm","2017","","","","","10.1039/C7CE01366C","","","0.71073","MoKα","","0.0559","0.0398","","","0.0874","0.096","","","","","","1.043","","","","has coordinates,has disorder","200512","2020-10-21","18:00:00",""
"7229127","9.2689","0.0004","13.0528","0.0005","16.7054","0.0007","90","","98.782","0.004","90","","1997.41","0.14","120","2","120","2","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","Nitro(N,N,N,N'-tetraethyldiethylenetriamine)palladium(II) trifluoromethanesulfonate","","- C13 H29 F3 N4 O5 Pd S -","- C13 H29 F3 N4 O5 Pd S -","- C52 H116 F12 N16 O20 Pd4 S4 -","4","1","","Hatcher, Lauren E.; Raithby, Paul R.","The Impact of Hydrogen Bonding on 100% Photo-Switching in Solid-State Nitro-Nitrito Linkage Isomers","CrystEngComm","2017","","","","","10.1039/C7CE01366C","","","0.71073","MoKα","","0.0454","0.0324","","","0.0661","0.0716","","","","","","1.041","","","","has coordinates,has disorder","200512","2020-10-21","18:00:00",""
"7229128","9.3358","0.0002","12.9883","0.0003","16.7838","0.0005","90","","99.045","0.003","90","","2009.83","0.09","220","2","220","2","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","Nitro(N,N,N',N'-tetraethyldiethylenetriamine)platinum(II) trifluoromethanesulfonate","","- C13 H29 F3 N4 O5 Pt S -","- C13 H29 F3 N4 O5 Pt S -","- C52 H116 F12 N16 O20 Pt4 S4 -","4","1","","Hatcher, Lauren E.; Raithby, Paul R.","The Impact of Hydrogen Bonding on 100% Photo-Switching in Solid-State Nitro-Nitrito Linkage Isomers","CrystEngComm","2017","","","","","10.1039/C7CE01366C","","","0.71073","MoKα","","0.0258","0.0198","","","0.0425","0.0446","","","","","","1.048","","","","has coordinates,has disorder","200512","2020-10-21","18:00:00",""
"7229129","9.3083","0.0004","13.0063","0.0005","16.7422","0.0008","90","","98.957","0.004","90","","2002.2","0.15","110","2","110","2","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","Nitro(N,N,N',N'-tetraethyldiethylenetriamine)platinum(II) trifluoromethanesulfonate","","- C13 H29 F3 N4 O5 Pt S -","- C13 H29 F3 N4 O5 Pt S -","- C52 H116 F12 N16 O20 Pt4 S4 -","4","1","","Hatcher, Lauren E.; Raithby, Paul R.","The Impact of Hydrogen Bonding on 100% Photo-Switching in Solid-State Nitro-Nitrito Linkage Isomers","CrystEngComm","2017","","","","","10.1039/C7CE01366C","","","0.71073","MoKα","","0.0529","0.0378","","","0.0832","0.09","","","","","","1.032","","","","has coordinates,has disorder","200512","2020-10-21","18:00:00",""
"7229130","9.2772","0.0004","13.1359","0.0006","17.2076","0.0011","90","","95.944","0.005","90","","2085.72","0.19","250","2","250","2","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","Nitro(N,N,N,N'-tetraethyldiethylenetriamine)palladium(II) trifluoromethanesulfonate","","- C13 H29 F3 N4 O5 Pd S -","- C13 H29 F3 N4 O5 Pd S -","- C52 H116 F12 N16 O20 Pd4 S4 -","4","1","","Hatcher, Lauren E.; Raithby, Paul R.","The Impact of Hydrogen Bonding on 100% Photo-Switching in Solid-State Nitro-Nitrito Linkage Isomers","CrystEngComm","2017","","","","","10.1039/C7CE01366C","","","0.71073","MoKα","","0.0537","0.0345","","","0.0645","0.0723","","","","","","1.036","","","","has coordinates","200512","2020-10-21","18:00:00",""
"7229131","9.3149","0.0004","13.0139","0.0005","16.7987","0.0009","90","","98.765","0.005","90","","2012.61","0.16","150","2","150","2","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","Nitro(N,N,N',N'-tetraethyldiethylenetriamine)platinum(II) trifluoromethanesulfonate","","- C13 H29 F3 N4 O5 Pt S -","- C13 H29 F3 N4 O5 Pt S -","- C52 H116 F12 N16 O20 Pt4 S4 -","4","1","","Hatcher, Lauren E.; Raithby, Paul R.","The Impact of Hydrogen Bonding on 100% Photo-Switching in Solid-State Nitro-Nitrito Linkage Isomers","CrystEngComm","2017","","","","","10.1039/C7CE01366C","","","0.71073","MoKα","","0.0545","0.0369","","","0.0826","0.0901","","","","","","1.054","","","","has coordinates,has disorder","200512","2020-10-21","18:00:00",""
"7229132","9.203","0.0003","13.1728","0.0005","16.9033","0.0006","90","","97.338","0.004","90","","2032.39","0.13","100","2","100","2","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","Nitro(N,N,N',N'-tetraethyldiethylenetriamine)palladium(II) trifluoromethanesulfonate","","- C13 H29 F3 N4 O5 Pd S -","- C13 H29 F3 N4 O5 Pd S -","- C52 H116 F12 N16 O20 Pd4 S4 -","4","1","","Hatcher, Lauren E.; Raithby, Paul R.","The Impact of Hydrogen Bonding on 100% Photo-Switching in Solid-State Nitro-Nitrito Linkage Isomers","CrystEngComm","2017","","","","","10.1039/C7CE01366C","","","0.71073","MoKα","","0.0401","0.0284","","","0.0558","0.0603","","","","","","1.033","","","","has coordinates","200512","2020-10-21","18:00:00",""
"7229133","9.2881","0.0004","13.0071","0.0005","16.7446","0.0007","90","","98.816","0.004","90","","1999.04","0.14","100","2","100","2","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","Nitro(N,N,N',N'-tetraethyldiethylenetriamine)platinum(II) trifluoromethanesulfonate","","- C13 H29 F3 N4 O5 Pt S -","- C13 H29 F3 N4 O5 Pt S -","- C52 H116 F12 N16 O20 Pt4 S4 -","4","1","","Hatcher, Lauren E.; Raithby, Paul R.","The Impact of Hydrogen Bonding on 100% Photo-Switching in Solid-State Nitro-Nitrito Linkage Isomers","CrystEngComm","2017","","","","","10.1039/C7CE01366C","","","0.71073","MoKα","","0.0487","0.0335","","","0.0669","0.0732","","","","","","1.053","","","","has coordinates,has disorder","200512","2020-10-21","18:00:00",""
"7229134","9.3266","0.0002","12.9762","0.0003","16.7496","0.0004","90","","99.174","0.002","90","","2001.17","0.08","200","2","200","2","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","Nitro(N,N,N',N'-tetraethyldiethylenetriamine)platinum(II) trifluoromethanesulfonate","","- C13 H29 F3 N4 O5 Pt S -","- C13 H29 F3 N4 O5 Pt S -","- C52 H116 F12 N16 O20 Pt4 S4 -","4","1","","Hatcher, Lauren E.; Raithby, Paul R.","The Impact of Hydrogen Bonding on 100% Photo-Switching in Solid-State Nitro-Nitrito Linkage Isomers","CrystEngComm","2017","","","","","10.1039/C7CE01366C","","","0.71073","MoKα","","0.0229","0.0181","","","0.0394","0.0409","","","","","","1.043","","","","has coordinates,has disorder","200512","2020-10-21","18:00:00",""
"7229135","9.3067","0.0004","13.0046","0.0005","16.7285","0.0008","90","","99.001","0.004","90","","1999.72","0.15","100","2","100","2","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","Nitro(N,N,N',N'-tetraethyldiethylenetriamine)platinum(II) trifluoromethanesulfonate","","- C13 H29 F3 N4 O5 Pt S -","- C13 H29 F3 N3.999 O4.998 Pt S -","- C52 H116 F12 N15.996 O19.992 Pt4 S4 -","4","1","","Hatcher, Lauren E.; Raithby, Paul R.","The Impact of Hydrogen Bonding on 100% Photo-Switching in Solid-State Nitro-Nitrito Linkage Isomers","CrystEngComm","2017","","","","","10.1039/C7CE01366C","","","0.71073","MoKα","","0.0498","0.0358","","","0.0789","0.0854","","","","","","1.042","","","","has coordinates,has disorder","200512","2020-10-21","18:00:00",""
"7229136","9.3268","0.0002","12.9755","0.0003","16.7508","0.0004","90","","99.17","0.002","90","","2001.27","0.08","200","2","200","2","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","Nitro(N,N,N',N'-tetraethyldiethylenetriamine)platinum(II) trifluoromethanesulfonate","","- C13 H29 F3 N4 O5 Pt S -","- C13 H29 F3 N4 O5 Pt S -","- C52 H116 F12 N16 O20 Pt4 S4 -","4","1","","Hatcher, Lauren E.; Raithby, Paul R.","The Impact of Hydrogen Bonding on 100% Photo-Switching in Solid-State Nitro-Nitrito Linkage Isomers","CrystEngComm","2017","","","","","10.1039/C7CE01366C","","","0.71073","MoKα","","0.0236","0.0187","","","0.0412","0.0429","","","","","","1.04","","","","has coordinates,has disorder","200512","2020-10-21","18:00:00",""
"7229137","9.2636","0.0003","13.1409","0.0004","17.1074","0.0006","90","","96.567","0.003","90","","2068.85","0.12","200","2","200","2","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","Nitro(N,N,N',N'-tetraethyldiethylenetriamine)platinum(II) trifluoromethanesulfonate","","- C13 H29 F3 N4 O5 Pt S -","- C13 H29 F3 N4 O5 Pt S -","- C52 H116 F12 N16 O20 Pt4 S4 -","4","1","","Hatcher, Lauren E.; Raithby, Paul R.","The Impact of Hydrogen Bonding on 100% Photo-Switching in Solid-State Nitro-Nitrito Linkage Isomers","CrystEngComm","2017","","","","","10.1039/C7CE01366C","","","0.71073","MoKα","","0.0273","0.0213","","","0.0461","0.0487","","","","","","1.034","","","","has coordinates","200512","2020-10-21","18:00:00",""
"7229138","9.3397","0.0003","13.0157","0.0004","16.8317","0.0006","90","","98.814","0.003","90","","2021.94","0.12","293","2","293","2","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","Nitro(N,N,N',N'-tetraethyldiethylenetriamine)platinum(II) trifluoromethanesulfonate","","- C13 H29 F3 N4 O5 Pt S -","- C13 H29 F3 N4 O5 Pt S -","- C52 H116 F12 N16 O20 Pt4 S4 -","4","1","","Hatcher, Lauren E.; Raithby, Paul R.","The Impact of Hydrogen Bonding on 100% Photo-Switching in Solid-State Nitro-Nitrito Linkage Isomers","CrystEngComm","2017","","","","","10.1039/C7CE01366C","","","0.71073","MoKα","","0.0313","0.025","","","0.0532","0.0558","","","","","","1.054","","","","has coordinates,has disorder","200512","2020-10-21","18:00:00",""
"7229139","9.2899","0.0003","13.1228","0.0004","17.2055","0.0005","90","","96.12","0.003","90","","2085.56","0.11","293","2","293","2","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","Nitro(N,N,N',N'-tetraethyldiethylenetriamine)platinum(II) trifluoromethanesulfonate","","- C13 H29 F3 N4 O5 Pt S -","- C13 H29 F3 N4 O5 Pt S -","- C52 H116 F12 N16 O20 Pt4 S4 -","4","1","","Hatcher, Lauren E.; Raithby, Paul R.","The Impact of Hydrogen Bonding on 100% Photo-Switching in Solid-State Nitro-Nitrito Linkage Isomers","CrystEngComm","2017","","","","","10.1039/C7CE01366C","","","0.71073","MoKα","","0.0292","0.0222","","","0.0486","0.0516","","","","","","1.044","","","","has coordinates","200512","2020-10-21","18:00:00",""
"7229140","9.3533","0.0005","13.1046","0.0004","17.4169","0.0008","90","","95.472","0.004","90","","2125.08","0.16","300","2","300","2","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","Nitro(N,N,N',N'-tetraethyldiethylenetriamine)platinum(II) trifluoromethanesulfonate","","- C13 H29 F3 N4 O5 Pt S -","- C13 H29 F3 N4 O5 Pt S -","- C52 H116 F12 N16 O20 Pt4 S4 -","4","1","","Hatcher, Lauren E.; Raithby, Paul R.","The Impact of Hydrogen Bonding on 100% Photo-Switching in Solid-State Nitro-Nitrito Linkage Isomers","CrystEngComm","2017","","","","","10.1039/C7CE01366C","","","0.71073","MoKα","","0.0496","0.0324","","","0.0707","0.0791","","","","","","1.039","","","","has coordinates","200512","2020-10-21","18:00:00",""
"7229141","9.3316","0.0002","12.9806","0.0003","16.7653","0.0004","90","","99.125","0.002","90","","2005.08","0.08","210","2","210","2","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","Nitro(N,N,N',N'-tetraethyldiethylenetriamine)platinum(II) trifluoromethanesulfonate","","- C13 H29 F3 N4 O5 Pt S -","- C13 H29 F3 N4 O5 Pt S -","- C52 H116 F12 N16 O20 Pt4 S4 -","4","1","","Hatcher, Lauren E.; Raithby, Paul R.","The Impact of Hydrogen Bonding on 100% Photo-Switching in Solid-State Nitro-Nitrito Linkage Isomers","CrystEngComm","2017","","","","","10.1039/C7CE01366C","","","0.71073","MoKα","","0.0243","0.0191","","","0.041","0.0429","","","","","","1.055","","","","has coordinates,has disorder","200512","2020-10-21","18:00:00",""
"7229142","8.2449","0.0003","19.4227","0.0008","8.8011","0.0003","90","","113.635","0.001","90","","1291.17","0.08","296","2","296","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C10 H14 Cu I N4 -","- C10 H14 Cu I N4 -","- C40 H56 Cu4 I4 N16 -","4","1","","Tarassoli, Abbas; Nobakht, Valiollah; Baladi, Elham; CARLUCCI, LUCIA; Proserpio, Davide M.","Capture of volatile iodine by newly prepared and characterized non-porous [CuI]n-based coordination polymers","CrystEngComm","2017","","","","","10.1039/C7CE01193H","","","0.71073","MoKα","","0.0413","0.0271","","","0.0565","0.0611","","","","","","1.044","","","","has coordinates","200513","2020-10-21","18:00:00",""
"7229143","4.3887","0.0007","19.267","0.003","8.9217","0.0015","90","","91.73","0.003","90","","754","0.2","296","2","296","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C10 H14 Cu2 I2 N4 -","- C10 H14 Cu2 I2 N4 -","- C20 H28 Cu4 I4 N8 -","2","0.5","","Tarassoli, Abbas; Nobakht, Valiollah; Baladi, Elham; CARLUCCI, LUCIA; Proserpio, Davide M.","Capture of volatile iodine by newly prepared and characterized non-porous [CuI]n-based coordination polymers","CrystEngComm","2017","","","","","10.1039/C7CE01193H","","","0.71073","MoKα","","0.0454","0.0418","","","0.0921","0.0935","","","","","","1.294","","","","has coordinates","200513","2020-10-21","18:00:00",""
"7229144","8.866","0.0012","9.0619","0.0012","12.1365","0.0016","91.656","0.002","97.796","0.002","101.32","0.002","945.7","0.2","296","2","296","2","","","","","","","","5","P -1","-P 1","2","","","","- C18 H22 Cu I N4 -","- C18 H22 Cu I N4 -","- C36 H44 Cu2 I2 N8 -","2","1","","Tarassoli, Abbas; Nobakht, Valiollah; Baladi, Elham; CARLUCCI, LUCIA; Proserpio, Davide M.","Capture of volatile iodine by newly prepared and characterized non-porous [CuI]n-based coordination polymers","CrystEngComm","2017","","","","","10.1039/C7CE01193H","","","0.71073","MoKα","","0.0356","0.0283","","","0.0762","0.081","","","","","","1.035","","","","has coordinates","200513","2020-10-21","18:00:00",""
"7229145","17.421","0.007","15.653","0.006","23.368","0.009","90","","105.588","0.005","90","","6138","4","296","2","296","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C56 H56 Cu4 I4 N16 -","- C56 H56 Cu4 I4 N16 -","- C224 H224 Cu16 I16 N64 -","4","1","","Tarassoli, Abbas; Nobakht, Valiollah; Baladi, Elham; CARLUCCI, LUCIA; Proserpio, Davide M.","Capture of volatile iodine by newly prepared and characterized non-porous [CuI]n-based coordination polymers","CrystEngComm","2017","","","","","10.1039/C7CE01193H","","","0.71073","MoKα","","0.0703","0.0313","","","0.0574","0.0715","","","","","","1.005","","","","has coordinates","200513","2020-10-21","18:00:00",""
"7229146","10.6406","0.0019","14.908","0.003","15.474","0.003","90","","94.207","0.002","90","","2448","0.8","296","2","296","2","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","","","- C33 H23 N -","- C33 H23 N -","- C132 H92 N4 -","4","1","","Zhao, Fei; Fan, Congbin; Chen, Zhao; Liu, Gang; Pu, Shouzhi","Cyanobenzene-containing tetraphenylethene derivatives with aggregation-induced emission and self-recovering mechanofluorochromic characteristics","RSC Adv.","2017","7","69","43845","","10.1039/C7RA08248G","","","0.71073","MoKα","","0.1065","0.0529","","","0.1213","0.1523","","","","","","1.011","","","","has coordinates","200773","2020-10-21","18:00:00",""
"7229147","10.5396","0.0017","10.8992","0.0017","11.6905","0.0018","75.586","0.002","72.924","0.002","75.975","0.002","1222.4","0.3","296","2","296","2","","","","","","","","3","P -1","-P 1","2","","","","- C33 H23 N -","- C33 H23 N -","- C66 H46 N2 -","2","1","","Zhao, Fei; Fan, Congbin; Chen, Zhao; Liu, Gang; Pu, Shouzhi","Cyanobenzene-containing tetraphenylethene derivatives with aggregation-induced emission and self-recovering mechanofluorochromic characteristics","RSC Adv.","2017","7","69","43845","","10.1039/C7RA08248G","","","0.71073","MoKα","","0.0649","0.0423","","","0.104","0.1199","","","","","","1.021","","","","has coordinates","200773","2020-10-21","18:00:00",""
"7229148","6.03713","0.00008","20.9196","0.0003","18.2183","0.0003","90","","96.0714","0.0014","90","","2287.96","0.06","291","2","291.15","","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C31 H21 N O2 -","- C31 H21 N O2 -","- C124 H84 N4 O8 -","4","1","","Xue, LuLu; Cheng, Guolin; Zhu, Ruifeng; Cui, Xiuling","Acid-promoted oxidative methylenation of 1,3-dicarbonyl compounds with DMSO: application to the three-component synthesis of Hantzsch-type pyridines","RSC Adv.","2017","7","69","44009","","10.1039/C7RA07442E","","","1.54184","CuKα","","0.0474","0.041","","","0.1066","0.1125","","","","","","1.043","","","","has coordinates","200774","2020-10-21","18:00:00",""
"7229149","12.8374","0.0003","10.8913","0.0003","24.3599","0.0006","90","","99.441","0.002","90","","3359.77","0.15","102.8","","102.8","","","","","","","","","3","P 1 21 1","P 2yb","4","","secopierisformoside G","","- C32 H48 O16 -","- C32 H42 O16 -","- C128 H168 O64 -","4","2","","Niu, Chang-Shan; Li, Yong; Liu, Yun-Bao; Ma, Shuang-Gang; Liu, Fei; Li, Li; Xu, Song; Wang, Xiao-Jing; Liu, Sheng; Wang, Ru-Bing; Qu, Jing; Yu, Shi-Shan","Biological and chemical guided isolation of 3,4-secograyanane diterpenoids from the roots of Pieris formosa","RSC Adv.","2017","7","69","43921","","10.1039/C7RA08635K","","","1.5418","CuKα","","0.0635","0.0592","","","0.1599","0.1658","","","","","","1.038","","","","has coordinates","200819","2020-10-21","18:00:00",""
"7229150","8.6705","0.0004","18.615","0.0009","18.7494","0.0007","64.176","0.004","89.183","0.003","76.713","0.004","2638.3","0.2","104.3","","104.3","","","","","","","","","3","P 1","P 1","1","","secopierisformoside A","","- C33 H44 O16 -","- C33 H44 O16 -","- C99 H132 O48 -","3","3","","Niu, Chang-Shan; Li, Yong; Liu, Yun-Bao; Ma, Shuang-Gang; Liu, Fei; Li, Li; Xu, Song; Wang, Xiao-Jing; Liu, Sheng; Wang, Ru-Bing; Qu, Jing; Yu, Shi-Shan","Biological and chemical guided isolation of 3,4-secograyanane diterpenoids from the roots of Pieris formosa","RSC Adv.","2017","7","69","43921","","10.1039/C7RA08635K","","","1.5418","CuKα","","0.0467","0.0444","","","0.1138","0.1165","","","","","","1.02","","","","has coordinates,has disorder","200819","2020-10-21","18:00:00",""
"7229151","11.0687","0.0002","12.2272","0.0004","23.802","0.0005","90","","90","","90","","3221.34","0.14","102.3","","102.3","","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","secopierisformoside K","","- C31 H46 O16 -","- C31 H46 O16 -","- C124 H184 O64 -","4","1","","Niu, Chang-Shan; Li, Yong; Liu, Yun-Bao; Ma, Shuang-Gang; Liu, Fei; Li, Li; Xu, Song; Wang, Xiao-Jing; Liu, Sheng; Wang, Ru-Bing; Qu, Jing; Yu, Shi-Shan","Biological and chemical guided isolation of 3,4-secograyanane diterpenoids from the roots of Pieris formosa","RSC Adv.","2017","7","69","43921","","10.1039/C7RA08635K","","","1.5418","CuKα","","0.0512","0.048","","","0.1234","0.1273","","","","","","1.051","","","","has coordinates","200819","2020-10-21","18:00:00",""
"7229152","12.7605","0.0003","15.5108","0.0005","16.9324","0.0004","90","","90","","90","","3351.35","0.16","102.8","","102.8","","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","secopierisformoside N","","- C32 H42 O15.26 -","- C32 H42 O15.263 -","- C128 H168 O61.052 -","4","1","","Niu, Chang-Shan; Li, Yong; Liu, Yun-Bao; Ma, Shuang-Gang; Liu, Fei; Li, Li; Xu, Song; Wang, Xiao-Jing; Liu, Sheng; Wang, Ru-Bing; Qu, Jing; Yu, Shi-Shan","Biological and chemical guided isolation of 3,4-secograyanane diterpenoids from the roots of Pieris formosa","RSC Adv.","2017","7","69","43921","","10.1039/C7RA08635K","","","1.5418","CuKα","","0.0388","0.0366","","","0.0931","0.0951","","","","","","1.031","","","","has coordinates,has disorder","200819","2020-10-21","18:00:00",""
"7229153","10.495","0.003","10.849","0.003","12.002","0.004","93.109","0.007","103.855","0.007","104.76","0.008","1273.3","0.7","296","2","296","2","","","","","","","","7","P -1","-P 1","2","","","","- C24 H24 B F4 N4 O2 S -","- C27 H23 B F4 N4 O2 S -","- C54 H46 B2 F8 N8 O4 S2 -","2","1","","Wang, Bin-Yong; Chen, Zhi-Qiang; Huang, Hongwei; Cao, Qian-Yong","Fluorescent triazolium for sensing fluoride anions in semi-aqueous solution","RSC Adv.","2017","7","69","43950","","10.1039/C7RA08607E","","","0.71073","MoKα","","0.1496","0.0932","","","0.2497","0.2924","","","","","","1.029","","","","has coordinates","200820","2020-10-21","18:00:00",""
"7229158","7.3027","0.0014","7.7089","0.0015","10.368","0.002","93.184","0.003","98.654","0.003","107.39","0.003","547.52","0.18","100","","100","","","","","","","","","4","P -1","-P 1","2","THY: 2,4 DAP","","","- C9 H12 N6 O2 -","- C9 H12 N6 O2 -","- C18 H24 N12 O4 -","2","1","","Koch, Elizabeth S.; McKenna, Kelly A.; Kim, Hyo Jung; Young, Victor G.; Swift, Jennifer A.","Thymine cocrystals based on DNA-inspired binding motifs","CrystEngComm","2017","","","","","10.1039/C7CE01347G","","","0.71073","MoKα","","0.0442","0.039","","","0.1197","0.1264","","","","","","1.07","","","","has coordinates","200866","2020-10-21","18:00:00",""
"7229159","6.9654","0.0005","6.9947","0.0005","15.4852","0.001","83.219","0.002","87.719","0.002","73.739","0.002","719.19","0.09","100","2","100.15","","","","","","","","","4","P -1","-P 1","2","thymine:2,4-diamino-6-hydroxypyrimidine trihydrate","T:DAHP.3H2O","","- C9 H18 N6 O6 -","- C9 H18 N6 O6 -","- C18 H36 N12 O12 -","2","1","","Koch, Elizabeth S.; McKenna, Kelly A.; Kim, Hyo Jung; Young, Victor G.; Swift, Jennifer A.","Thymine cocrystals based on DNA-inspired binding motifs","CrystEngComm","2017","","","","","10.1039/C7CE01347G","","","0.71073","MoKα","","0.0915","0.0624","","","0.1139","0.1223","","","","","","1.189","","","","has coordinates","200866","2020-10-21","18:00:00",""
"7229160","6.7793","0.0002","12.3197","0.0004","14.8694","0.0004","104.716","0.0014","96.7763","0.0013","90.5177","0.0014","1191.76","0.06","100","2","100.15","","","","","","","","","4","P -1","-P 1","2","Thymine:2,4,6-triaminopyrimidine","T:246TAPM","","- C9 H15 N7 O3 -","- C9 H15 N7 O3 -","- C36 H60 N28 O12 -","4","2","","Koch, Elizabeth S.; McKenna, Kelly A.; Kim, Hyo Jung; Young, Victor G.; Swift, Jennifer A.","Thymine cocrystals based on DNA-inspired binding motifs","CrystEngComm","2017","","","","","10.1039/C7CE01347G","","","1.54178","CuKα","","0.0569","0.0556","","","0.1527","0.1546","","","","","","1.066","","","","has coordinates","200866","2020-10-21","18:00:00",""
"7229161","40.6077","0.0014","8.7048","0.0003","17.2621","0.0006","90","","97.184","0.002","90","","6053.9","0.4","100","2","100","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C67 H74 N4 O13 -","- C67 H74 N4 O13 -","- C268 H296 N16 O52 -","4","1","","He, Hongyan; Zhang, Qi; Wang, Jian-Rong; Mei, Xuefeng","Structure, physicochemical properties and pharmacokinetics of resveratrol and piperine cocrystals","CrystEngComm","2017","","","","","10.1039/C7CE01468F","","","0.71073","MoKα","","0.1354","0.0665","","","0.1344","0.1617","","","","","","1.069","","","","has coordinates","200867","2020-10-21","18:00:00",""
"7229162","58.8257","0.001","8.8831","0.0001","17.2873","0.0003","90","","100.318","0.001","90","","8887.5","0.2","170","2","170","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C50 H55 N3 O10 -","- C50 H55 N3 O10 -","- C400 H440 N24 O80 -","8","1","","He, Hongyan; Zhang, Qi; Wang, Jian-Rong; Mei, Xuefeng","Structure, physicochemical properties and pharmacokinetics of resveratrol and piperine cocrystals","CrystEngComm","2017","","","","","10.1039/C7CE01468F","","","0.71073","MoKα","","0.0694","0.0461","","","0.1071","0.1205","","","","","","1.022","","","","has coordinates","200867","2020-10-21","18:00:00",""
"7229163","33.8536","0.0012","8.303","0.0003","17.6214","0.0006","90","","102.686","0.002","90","","4832.2","0.3","100","2","100","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C55 H59 N2 O10 -","- C55 H59 N2 O10 -","- C220 H236 N8 O40 -","4","1","","He, Hongyan; Zhang, Qi; Wang, Jian-Rong; Mei, Xuefeng","Structure, physicochemical properties and pharmacokinetics of resveratrol and piperine cocrystals","CrystEngComm","2017","","","","","10.1039/C7CE01468F","","","0.71073","MoKα","","0.1368","0.0588","","","0.1151","0.1417","","","","","","1.003","","","","has coordinates,has disorder","200867","2020-10-21","18:00:00",""
"7229164","21.6976","0.0007","7.7355","0.0003","26.0438","0.0009","90","","93.278","0.002","90","","4364.1","0.3","100","2","100","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C48 H56 N2 O12 -","- C48 H56 N2 O12 -","- C192 H224 N8 O48 -","4","1","","He, Hongyan; Zhang, Qi; Wang, Jian-Rong; Mei, Xuefeng","Structure, physicochemical properties and pharmacokinetics of resveratrol and piperine cocrystals","CrystEngComm","2017","","","","","10.1039/C7CE01468F","","","0.71073","MoKα","","0.1819","0.0878","","","0.1665","0.2035","","","","","","1.03","","","","has coordinates","200867","2020-10-21","18:00:00",""
"7229165","9.3153","0.0018","21.323","0.004","30.484","0.006","90","","90","","90","","6055","2","296","2","296","2","","","","","","","","7","P 21 21 21","P 2ac 2ab","19","","","","- C49 H40 Cu5 I4 N7 O16 Pr2 -","- C49 H40 Cu5 I4 N7 O16 Pr2 -","- C196 H160 Cu20 I16 N28 O64 Pr8 -","4","1","","Jin, Hong-Guang; Hong, Xu-Jia; Tan, Hao-Chong; Qin, Wei; Lin, Xiao-Ming; Cai, Yue-Peng","Achiral aromatic solvent-induced assemblies of the 3-D homochiral porous 3d-4f heterometallic-organic frameworks based on isonicotinic acid","CrystEngComm","2017","","","","","10.1039/C7CE01580A","","","0.71073","MoKα","","0.1205","0.0722","","","0.0683","0.0788","","","","","","1.069","","","","has coordinates,has disorder","200868","2020-10-21","18:00:00",""
"7229166","9.2472","0.0001","21.2695","0.0002","30.2936","0.0004","90","","90","","90","","5958.25","0.12","293","2","293","2","","","","","","","","7","P 21 21 21","P 2ac 2ab","19","","","","- C48 H38 Cu5 I4 N7 O16 Pr2 -","- C48 H38 Cu5 I4 N7 O16 Pr2 -","- C192 H152 Cu20 I16 N28 O64 Pr8 -","4","1","","Jin, Hong-Guang; Hong, Xu-Jia; Tan, Hao-Chong; Qin, Wei; Lin, Xiao-Ming; Cai, Yue-Peng","Achiral aromatic solvent-induced assemblies of the 3-D homochiral porous 3d-4f heterometallic-organic frameworks based on isonicotinic acid","CrystEngComm","2017","","","","","10.1039/C7CE01580A","","","1.54178","CuKα","","0.0683","0.0666","","","0.1715","0.1749","","","","","","1.001","","","","has coordinates","200868","2020-10-21","18:00:00",""
"7229167","7.0697","0.0005","24.7757","0.0019","18.1496","0.0014","90","","99.049","0.001","90","","3139.5","0.4","298","2","298","2","","","","","","","","7","P 1 21/m 1","-P 2yb","11","","","","- C42 H42 Cu7 I6 N7 O21 Pr2 -","- C42 H42 Cu7 I6 N7 O21 Pr2 -","- C84 H84 Cu14 I12 N14 O42 Pr4 -","2","0.5","","Jin, Hong-Guang; Hong, Xu-Jia; Tan, Hao-Chong; Qin, Wei; Lin, Xiao-Ming; Cai, Yue-Peng","Achiral aromatic solvent-induced assemblies of the 3-D homochiral porous 3d-4f heterometallic-organic frameworks based on isonicotinic acid","CrystEngComm","2017","","","","","10.1039/C7CE01580A","","","0.71073","MoKα","","0.038","0.0343","","","0.0905","0.093","","","","","","1.068","","","","has coordinates","200868","2020-10-21","18:00:00",""
"7229168","10.5489","0.0009","10.8247","0.0009","21.7672","0.0019","99.053","0.002","101.429","0.002","105.634","0.002","2286.9","0.3","100","2","100","2","","","","","","","","7","P -1","-P 1","2","","","","- C47.5 H26.5 Eu F9 N O7 S3 -","- C47.5 H26.5 Eu F9 N O7 S3 -","- C95 H53 Eu2 F18 N2 O14 S6 -","2","1","","Abbas, Zafar; Dasari, Srikanth; Patra, Ashis K.","Ternary Eu(iii) and Tb(iii) β-diketonate complexes containing chalcones: photophysical studies and biological outlook","RSC Adv.","2017","7","70","44272","","10.1039/C7RA08543E","","","0.71073","MoKα","","0.0806","0.0663","","","0.1726","0.1867","","","","","","1.109","","","","has coordinates","200882","2020-10-21","18:00:00",""
"7229169","36.88","0.03","11.065","0.008","19.195","0.013","90","","121.141","0.008","90","","6704","9","320","2","320","2","","","","","","","no","3","C 1 c 1","C -2yc","9","C18BiPhcage","C18BiPhcage","","- C66 H116 Si2 -","- C66 H114 Si2 -","- C264 H456 Si8 -","4","1","","Fujiwara, Atsushi; Inagaki, Yusuke; Momma, Hiroyuki; Kwon, Eunsang; Yamaguchi, Kentaro; Kanno, Manabu; Kono, Hirohiko; Setaka, Wataru","A Crystalline Molecular Gyrotop with a Biphenylene Dirotor and its Temperature Dependent Birefringence","CrystEngComm","2017","","","","","10.1039/C7CE01081H","","","0.71073","MoKα","","0.3692","0.1291","","","0.3138","0.4925","","","","","","0.954","","","","has coordinates","200912","2020-10-21","18:00:00",""
"7229170","35.097","0.003","11.4728","0.001","16.9361","0.0014","90","","110.809","0.001","90","","6374.7","0.9","200","2","200","2","","","","","","","no","3","C 1 2/c 1","-C 2yc","15","C18satBiphCage","C18satBiphCage","","- C66 H116 Si2 -","- C66 H116 Si2 -","- C264 H464 Si8 -","4","0.5","","Fujiwara, Atsushi; Inagaki, Yusuke; Momma, Hiroyuki; Kwon, Eunsang; Yamaguchi, Kentaro; Kanno, Manabu; Kono, Hirohiko; Setaka, Wataru","A Crystalline Molecular Gyrotop with a Biphenylene Dirotor and its Temperature Dependent Birefringence","CrystEngComm","2017","","","","","10.1039/C7CE01081H","","","0.71073","MoKα","","0.1177","0.0837","","","0.2458","0.2783","","","","","","1.063","","","","has coordinates,has disorder","200912","2020-10-21","18:00:00",""
"7229171","36.52","0.03","10.968","0.009","19.057","0.016","90","","120.161","0.012","90","","6600","9","280","2","280","2","","","","","","","no","3","C 1 c 1","C -2yc","9","C18BiPhcage","C18BiPhcage","","- C66 H116 Si2 -","- C66 H116 Si2 -","- C264 H464 Si8 -","4","1","","Fujiwara, Atsushi; Inagaki, Yusuke; Momma, Hiroyuki; Kwon, Eunsang; Yamaguchi, Kentaro; Kanno, Manabu; Kono, Hirohiko; Setaka, Wataru","A Crystalline Molecular Gyrotop with a Biphenylene Dirotor and its Temperature Dependent Birefringence","CrystEngComm","2017","","","","","10.1039/C7CE01081H","","","0.71073","MoKα","","0.3565","0.1208","","","0.3104","0.471","","","","","","0.955","","","","has coordinates","200912","2020-10-21","18:00:00",""
"7229172","12.8652","0.0016","13.2912","0.0018","21.1257","0.0018","90","","119.797","0.005","90","","3134.8","0.7","","","","","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C56 H52 Cl10 Dy2 N8 O6 -","- C56 H52 Cl10 Dy2 N8 O6 -","- C112 H104 Cl20 Dy4 N16 O12 -","2","0.5","","Jiang, Zhijie; Sun, Lin; Yang, Qi; Wei, Shilong; Ke, Hongshan; Chen, Sanping; Zhang, Yiquan; Wei, Qing; Xie, Gang","Solvent orientation in the crystal lattice producing distinct magnetic dynamics in two binuclear Dy(iii) polymorphs with a polydentate Schiff base ligand","CrystEngComm","2017","","","","","10.1039/C7CE01269A","","","","","","0.068","","","","","","","","","","","","","","","has coordinates","200913","2020-10-21","18:00:00",""
"7229173","21.186","0.009","15.093","0.009","21.803","0.012","90","","116.915","0.014","90","","6217","6","296","2","296","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C56 H52 Cl10 Dy2 N8 O6 -","- C56 H52 Cl10 Dy2 N8 O6 -","- C224 H208 Cl40 Dy8 N32 O24 -","4","0.5","","Jiang, Zhijie; Sun, Lin; Yang, Qi; Wei, Shilong; Ke, Hongshan; Chen, Sanping; Zhang, Yiquan; Wei, Qing; Xie, Gang","Solvent orientation in the crystal lattice producing distinct magnetic dynamics in two binuclear Dy(iii) polymorphs with a polydentate Schiff base ligand","CrystEngComm","2017","","","","","10.1039/C7CE01269A","","","0.71073","MoKα","","0.076","0.0494","","","0.1162","0.1261","","","","","","1.094","","","","has coordinates","200913","2020-10-21","18:00:00",""
"7229174","9.0551","0.0007","9.1409","0.0007","11.4606","0.0008","105.286","0.007","90.508","0.006","104.462","0.007","883.22","0.12","293","2","293","2","","","","","","","","6","P -1","-P 1","2","","","","- C16 H18 Cl2 N2 O2 Ti -","- C16 H18 Cl2 N2 O2 Ti -","- C32 H36 Cl4 N4 O4 Ti2 -","2","1","","Wu, Rong-Hui; Wu, Jing; Yu, Ming-Xin; Zhu, Long-Guan","Ti(Phen)(OC2H5)2Cl2: a highly efficient pre-catalyst for selective oxidation of organic sulfides to sulfoxides by hydrogen peroxide","RSC Adv.","2017","7","70","44259","","10.1039/C7RA06883B","","","0.71073","MoKα","","0.1025","0.059","","","0.1392","0.1738","","","","","","1.048","","","","has coordinates","200919","2020-10-21","18:00:00",""
"7229175","7.0515","0.0005","8.1392","0.0006","16.8642","0.0011","90","","90","","90","","967.9","0.12","291","2","291","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C7 H12 Cu N O5 P -","- C7 H12 Cu N O5 P -","- C28 H48 Cu4 N4 O20 P4 -","4","1","","Zhu, Guangshan; liang, xiao qiang; Cai, Kun; Zhang, Feng; Liu, Jia","One, two, and three-dimensional metal-organic coordination polymers derived from enantiopure organic phosphorate: homochirality, water stability and proton conduction","CrystEngComm","2017","","","","","10.1039/C7CE01509G","","","0.71073","MoKα","","0.0219","0.0204","","","0.0472","0.0476","","","","","","1.085","","","","has coordinates","200950","2020-10-21","18:00:00",""
"7229176","6.7846","0.0006","11.3724","0.001","14.25","0.0013","90","","90","","90","","1099.49","0.17","291","2","291","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C8 H16 Cu N O6 P -","- C8 H16 Cu N O6 P -","- C32 H64 Cu4 N4 O24 P4 -","4","1","","Zhu, Guangshan; liang, xiao qiang; Cai, Kun; Zhang, Feng; Liu, Jia","One, two, and three-dimensional metal-organic coordination polymers derived from enantiopure organic phosphorate: homochirality, water stability and proton conduction","CrystEngComm","2017","","","","","10.1039/C7CE01509G","","","0.71073","MoKα","","0.0296","0.028","","","0.0797","0.0807","","","","","","1.02","","","","has coordinates","200950","2020-10-21","18:00:00",""
"7229177","8.7089","0.0004","12.6968","0.0005","13.574","0.0005","90","","90","","90","","1500.95","0.11","291","2","291","2","","","","","","","","7","P 21 21 21","P 2ac 2ab","19","","","","- C7 H16 Cd2 Cl2 N O7 P -","- C7 H16 Cd2 Cl2 N O7 P -","- C28 H64 Cd8 Cl8 N4 O28 P4 -","4","1","","Zhu, Guangshan; liang, xiao qiang; Cai, Kun; Zhang, Feng; Liu, Jia","One, two, and three-dimensional metal-organic coordination polymers derived from enantiopure organic phosphorate: homochirality, water stability and proton conduction","CrystEngComm","2017","","","","","10.1039/C7CE01509G","","","0.71073","MoKα","","0.0152","0.0149","","","0.0369","0.037","","","","","","1.049","","","","has coordinates","200950","2020-10-21","18:00:00",""
"7229178","10.328","0.002","11.176","0.002","18.112","0.004","75.76","0.03","79.16","0.03","88.31","0.03","1989.9","0.8","153","2","153","2","","","","","","","","3","P -1","-P 1","2","","9,9?-(ethyne-1,2-diyl)-bis(fluoren-9-ol) (2-methyl-2-propanol) (2-propanol) Clathrate","","- C98 H90 O10 -","- C98 H90 O10 -","- C98 H90 O10 -","1","0.5","","Sykes, Nicole Margaret; Su, Hong; Weber, Edwin; Bourne, Susan A.; Nassimbeni, Luigi","Crystallisation Temperature Control of Stoichiometry and Selectivity in Host- Guest Compounds","CrystEngComm","2017","","","","","10.1039/C7CE01414G","","","0.71073","MoKα","","0.0646","0.0451","","","0.1092","0.1195","","","","","","1.04","","","","has coordinates,has disorder","201006","2020-10-21","18:00:00",""
"7229179","9.693","0.0019","14.066","0.003","21.052","0.004","83.94","0.03","82.7","0.03","89.93","0.03","2830.9","1","153","2","153","2","","","","","","","","4","P -1","-P 1","2","","bi 9,9?-(ethyne-1,2-diyl)-bis(fluoren-9-ol) bis (2-propanol) (chloroform) Clathrate","","- C66 H61 Cl3 O7 -","- C66 H61 Cl3 O7 -","- C132 H122 Cl6 O14 -","2","1","","Sykes, Nicole Margaret; Su, Hong; Weber, Edwin; Bourne, Susan A.; Nassimbeni, Luigi","Crystallisation Temperature Control of Stoichiometry and Selectivity in Host- Guest Compounds","CrystEngComm","2017","","","","","10.1039/C7CE01414G","","","0.71073","MoKα","","0.0559","0.0449","","","0.1118","0.1198","","","","","","1.038","","","","has coordinates","201006","2020-10-21","18:00:00",""
"7229180","10.15","0.002","10.397","0.002","18.78","0.004","104.29","0.03","94.58","0.03","96.7","0.03","1895.2","0.7","153","2","153","2","","","","","","","","3","P -1","-P 1","2","","tri 9,9?-(ethyne-1,2-diyl)-bis(fluoren-9-ol) tetra (2-propanol) Clathrate","","- C96 H86 O10 -","- C96 H86 O10 -","- C96 H86 O10 -","1","0.5","","Sykes, Nicole Margaret; Su, Hong; Weber, Edwin; Bourne, Susan A.; Nassimbeni, Luigi","Crystallisation Temperature Control of Stoichiometry and Selectivity in Host- Guest Compounds","CrystEngComm","2017","","","","","10.1039/C7CE01414G","","","0.71073","MoKα","","0.0617","0.0463","","","0.1124","0.1223","","","","","","1.037","","","","has coordinates,has disorder","201006","2020-10-21","18:00:00",""
"7229181","9.4041","0.0019","9.4706","0.0019","12.423","0.003","111.38","0.03","96.88","0.03","95.54","0.03","1011","0.5","153","2","153","2","","","","","","","","3","P -1","-P 1","2","","9,9?-(ethyne-1,2-diyl)-bis(fluoren-9-ol) tetra (2-methyl-2-propanoll) Clathrate","","- C44 H58 O6 -","- C44 H58 O6 -","- C44 H58 O6 -","1","0.5","","Sykes, Nicole Margaret; Su, Hong; Weber, Edwin; Bourne, Susan A.; Nassimbeni, Luigi","Crystallisation Temperature Control of Stoichiometry and Selectivity in Host- Guest Compounds","CrystEngComm","2017","","","","","10.1039/C7CE01414G","","","0.71073","MoKα","","0.086","0.0574","","","0.1363","0.1537","","","","","","1.03","","","","has coordinates","201006","2020-10-21","18:00:00",""
"7229182","10.314","0.002","18.768","0.004","20.269","0.004","83.06","0.03","81.59","0.03","82.49","0.03","3827.3","1.4","153","2","153","2","","","","","","","","3","P -1","-P 1","2","","tri 9,9?-(ethyne-1,2-diyl)-bis(fluoren-9-ol) tetra (2-propanol) Clathrate","","- C96 H86 O10 -","- C96 H86 O10 -","- C192 H172 O20 -","2","1","","Sykes, Nicole Margaret; Su, Hong; Weber, Edwin; Bourne, Susan A.; Nassimbeni, Luigi","Crystallisation Temperature Control of Stoichiometry and Selectivity in Host- Guest Compounds","CrystEngComm","2017","","","","","10.1039/C7CE01414G","","","0.71073","MoKα","","0.1071","0.0576","","","0.1313","0.1543","","","","","","1.029","","","","has coordinates","201006","2020-10-21","18:00:00",""
"7229183","8.5974","0.0017","9.1212","0.0018","11.602","0.002","92.96","0.03","102.02","0.03","117.04","0.03","781.3","0.4","153","2","153","2","","","","","","","","3","P -1","-P 1","2","","9,9?-(ethyne-1,2-diyl)-bis(fluoren-9-ol) bis (tert-butanol) Clathrate","","- C36 H38 O4 -","- C36 H38 O4 -","- C36 H38 O4 -","1","0.5","","Sykes, Nicole Margaret; Su, Hong; Weber, Edwin; Bourne, Susan A.; Nassimbeni, Luigi","Crystallisation Temperature Control of Stoichiometry and Selectivity in Host- Guest Compounds","CrystEngComm","2017","","","","","10.1039/C7CE01414G","","","0.71073","MoKα","","0.0553","0.049","","","0.1324","0.1381","","","","","","1.058","","","","has coordinates","201006","2020-10-21","18:00:00",""
"7229184","8.778","0.008","10.165","0.009","10.918","0.009","78.86","0.02","69.57","0.03","72.29","0.04","865.5","1.3","296","2","296","2","","","","","","","","5","P -1","-P 1","2","","","","- C6 H6 F3 N3 O2 -","- C6 H6 F3 N3 O2 -","- C24 H24 F12 N12 O8 -","4","2","","Valdo, Ana Karoline Silva Medanha; Sarotti, Ariel Marcelo; Martins, Felipe Terra","Synthon trends according to acid strength and geometry in salts of N-heterocyclic bases","CrystEngComm","2017","","","","","10.1039/C7CE01490B","","","0.71073","MoKα","","0.1914","0.0804","","","0.2085","0.2692","","","","","","1.027","","","","has coordinates,has disorder","201007","2020-10-21","18:00:00",""
"7229185","21.414","0.0016","9.4256","0.0009","9.4548","0.0007","90","","99.38","0.005","90","","1882.8","0.3","296","2","296","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C12 H19 N2 O12 P3 -","- C12 H19 N2 O12 P3 -","- C48 H76 N8 O48 P12 -","4","0.5","","Valdo, Ana Karoline Silva Medanha; Sarotti, Ariel Marcelo; Martins, Felipe Terra","Synthon trends according to acid strength and geometry in salts of N-heterocyclic bases","CrystEngComm","2017","","","","","10.1039/C7CE01490B","","","0.71073","MoKα","","0.0599","0.0435","","","0.1031","0.1143","","","","","","1.037","","","","has coordinates","201007","2020-10-21","18:00:00",""
"7229186","13.6957","0.0003","5.5311","0.0001","14.345","0.0003","90","","109.224","0.001","90","","1026.07","0.04","296","2","296","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C6 H6 Cl3 N3 O2 -","- C6 H6 Cl3 N3 O2 -","- C24 H24 Cl12 N12 O8 -","4","1","","Valdo, Ana Karoline Silva Medanha; Sarotti, Ariel Marcelo; Martins, Felipe Terra","Synthon trends according to acid strength and geometry in salts of N-heterocyclic bases","CrystEngComm","2017","","","","","10.1039/C7CE01490B","","","0.71073","MoKα","","0.0436","0.0369","","","0.0938","0.1012","","","","","","1.049","","","","has coordinates","201007","2020-10-21","18:00:00",""
"7229187","4.5002","0.0002","8.7726","0.0003","19.7107","0.0008","90","","90","","90","","778.15","0.05","296","2","296","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C4 H8 N3 O4 P -","- C4 H8 N3 O4 P -","- C16 H32 N12 O16 P4 -","4","1","","Valdo, Ana Karoline Silva Medanha; Sarotti, Ariel Marcelo; Martins, Felipe Terra","Synthon trends according to acid strength and geometry in salts of N-heterocyclic bases","CrystEngComm","2017","","","","","10.1039/C7CE01490B","","","0.71073","MoKα","","0.0293","0.0279","","","0.068","0.0687","","","","","","1.065","","","","has coordinates","201007","2020-10-21","18:00:00",""
"7229188","9.264","0.0007","4.7949","0.0003","17.7033","0.0013","90","","90.536","0.002","90","","786.35","0.1","296","2","296","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C12 H16 N2 O8 P2 -","- C12 H16 N2 O8 P2 -","- C24 H32 N4 O16 P4 -","2","0.5","","Valdo, Ana Karoline Silva Medanha; Sarotti, Ariel Marcelo; Martins, Felipe Terra","Synthon trends according to acid strength and geometry in salts of N-heterocyclic bases","CrystEngComm","2017","","","","","10.1039/C7CE01490B","","","0.71073","MoKα","","0.0616","0.0477","","","0.1116","0.1193","","","","","","1.076","","","","has coordinates","201007","2020-10-21","18:00:00",""
"7229189","5.0554","0.0009","7.5644","0.0013","9.029","0.0014","72.096","0.011","79.191","0.011","80.625","0.011","320.68","0.1","296","2","296","2","","","","","","","","4","P -1","-P 1","2","","","","- C4 H6 Br N3 -","- C4 H6 Br N3 -","- C8 H12 Br2 N6 -","2","1","","Valdo, Ana Karoline Silva Medanha; Sarotti, Ariel Marcelo; Martins, Felipe Terra","Synthon trends according to acid strength and geometry in salts of N-heterocyclic bases","CrystEngComm","2017","","","","","10.1039/C7CE01490B","","","0.71073","MoKα","","0.031","0.0259","","","0.0623","0.0642","","","","","","1.088","","","","has coordinates","201007","2020-10-21","18:00:00",""
"7229190","9.0017","0.0007","21.128","0.002","11.7627","0.0009","90","","90.617","0.005","90","","2237","0.3","296","2","296","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C7 H13 N3 O4 S -","- C7 H13 N3 O4 S -","- C56 H104 N24 O32 S8 -","8","2","","Valdo, Ana Karoline Silva Medanha; Sarotti, Ariel Marcelo; Martins, Felipe Terra","Synthon trends according to acid strength and geometry in salts of N-heterocyclic bases","CrystEngComm","2017","","","","","10.1039/C7CE01490B","","","1.54178","CuKα","","0.1262","0.0923","","","0.2829","0.3268","","","","","","1.274","","","","has coordinates,has disorder","201007","2020-10-21","18:00:00",""
"7229191","4.9992","0.0004","7.3893","0.0007","8.8313","0.0008","72.451","0.006","78.656","0.005","79.41","0.006","302.26","0.05","296","2","296","2","","","","","","","","4","P -1","-P 1","2","","","","- C4 H6 Cl N3 -","- C4 H6 Cl N3 -","- C8 H12 Cl2 N6 -","2","1","","Valdo, Ana Karoline Silva Medanha; Sarotti, Ariel Marcelo; Martins, Felipe Terra","Synthon trends according to acid strength and geometry in salts of N-heterocyclic bases","CrystEngComm","2017","","","","","10.1039/C7CE01490B","","","0.71073","MoKα","","0.0818","0.0631","","","0.2025","0.2115","","","","","","1.179","","","","has coordinates","201007","2020-10-21","18:00:00",""
"7229192","5.1052","0.0008","10.2491","0.0015","12.6953","0.0018","90","","93.053","0.002","90","","663.32","0.17","296","2","296","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C12 H12 Br2 N2 -","- C12 H12 Br2 N2 -","- C24 H24 Br4 N4 -","2","0.5","","Valdo, Ana Karoline Silva Medanha; Sarotti, Ariel Marcelo; Martins, Felipe Terra","Synthon trends according to acid strength and geometry in salts of N-heterocyclic bases","CrystEngComm","2017","","","","","10.1039/C7CE01490B","","","0.71073","MoKα","","0.0444","0.0367","","","0.0993","0.105","","","","","","1.057","","","","has coordinates","201007","2020-10-21","18:00:00",""
"7229193","21.9269","0.001","23.8222","0.0011","8.202","0.0002","90","","96.821","0.003","90","","4254","0.3","150","0.1","150","0.1","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C40 H29 N5 O9 Zn2 -","- C37 H22 N4 O8 Zn2 -","- C148 H88 N16 O32 Zn8 -","4","1","","Burrows, Andrew D.; Chan, Siobhan; Gee, William J.; Mahon, Mary F.; Richardson, Christopher; Sebestyen, Viorica M.; Turski, Domenyk; Warren, Mark R.","The impact of N,N′-ditopic ligand length and geometry on the structures of zinc-based mixed-linker metal‒organic frameworks","CrystEngComm","2017","","","","","10.1039/C7CE01447C","","x-ray","0.71073","MoKα","","0.0943","0.0677","","","0.1641","0.181","","","","","","1.03","","","","has coordinates,has disorder","201008","2020-10-21","18:00:00",""
"7229194","10.04","0.006","29.598","0.017","17.153","0.011","90","","102.762","0.005","90","","4971","5","150","2","150","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C47 H39 N9 O9 Zn2 -","- C45.5 H35.5 N8.5 O8.5 Zn2 -","- C182 H142 N34 O34 Zn8 -","4","1","","Burrows, Andrew D.; Chan, Siobhan; Gee, William J.; Mahon, Mary F.; Richardson, Christopher; Sebestyen, Viorica M.; Turski, Domenyk; Warren, Mark R.","The impact of N,N′-ditopic ligand length and geometry on the structures of zinc-based mixed-linker metal‒organic frameworks","CrystEngComm","2017","","","","","10.1039/C7CE01447C","","","0.6889","Synchrotron","","0.0831","0.074","","","0.1986","0.2075","","","","","","1.061","","","","has coordinates,has disorder","201008","2020-10-21","18:00:00",""
"7229195","21.757","0.0004","21.757","0.0004","34.6535","0.0011","90","","90","","90","","16403.8","0.7","200","0.1","200","0.1","","","","","","","","5","I 4/m m m","-I 4 2","139","","","","- C49 H50 N8 O12 Zn2 -","- C37 H22 N4 O8 Zn2 -","- C296 H176 N32 O64 Zn16 -","8","0.25","","Burrows, Andrew D.; Chan, Siobhan; Gee, William J.; Mahon, Mary F.; Richardson, Christopher; Sebestyen, Viorica M.; Turski, Domenyk; Warren, Mark R.","The impact of N,N′-ditopic ligand length and geometry on the structures of zinc-based mixed-linker metal‒organic frameworks","CrystEngComm","2017","","","","","10.1039/C7CE01447C","","x-ray","1.54184","CuKα","","0.1381","0.1169","","","0.3989","0.4342","","","","","","1.704","","","","has coordinates,has disorder","201008","2020-10-21","18:00:00",""
"7229196","10.144","0.0001","13.976","0.0001","16.192","0.0002","90","","90","","90","","2295.58","0.04","150","2","150","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C24 H21 N5 O5 Zn -","- C24 H21 N5 O5 Zn -","- C96 H84 N20 O20 Zn4 -","4","1","","Burrows, Andrew D.; Chan, Siobhan; Gee, William J.; Mahon, Mary F.; Richardson, Christopher; Sebestyen, Viorica M.; Turski, Domenyk; Warren, Mark R.","The impact of N,N′-ditopic ligand length and geometry on the structures of zinc-based mixed-linker metal‒organic frameworks","CrystEngComm","2017","","","","","10.1039/C7CE01447C","","","0.71073","MoKα","","0.0317","0.0282","","","0.0664","0.0679","","","","","","1.052","","","","has coordinates,has disorder","201008","2020-10-21","18:00:00",""
"7229197","8.192","0.0002","16.433","0.0004","16.444","0.0004","93.714","0.001","99.822","0.001","99.807","0.001","2139.3","0.09","150","2","150.15","","","","","","","","","5","P -1","-P 1","2","","","","- C40 H29 N5 O9 Zn2 -","- C37 H21 N4 O8 Zn2 -","- C74 H42 N8 O16 Zn4 -","2","1","","Burrows, Andrew D.; Chan, Siobhan; Gee, William J.; Mahon, Mary F.; Richardson, Christopher; Sebestyen, Viorica M.; Turski, Domenyk; Warren, Mark R.","The impact of N,N′-ditopic ligand length and geometry on the structures of zinc-based mixed-linker metal‒organic frameworks","CrystEngComm","2017","","","","","10.1039/C7CE01447C","","","0.71073","MoKα","","0.0941","0.0488","","","0.1306","0.1493","","","","","","1.041","","","","has coordinates,has disorder","201008","2020-10-21","18:00:00",""
"7229198","18.532","0.002","20.3541","0.0015","20.561","0.002","116.099","0.008","112.218","0.01","97.506","0.007","6022.3","1.4","150","2","150","2","","","","","","","","5","P -1","-P 1","2","","","","- C112 H92 N20 O20 Zn4 -","- C100 H64 N16 O16 Zn4 -","- C200 H128 N32 O32 Zn8 -","2","1","","Burrows, Andrew D.; Chan, Siobhan; Gee, William J.; Mahon, Mary F.; Richardson, Christopher; Sebestyen, Viorica M.; Turski, Domenyk; Warren, Mark R.","The impact of N,N′-ditopic ligand length and geometry on the structures of zinc-based mixed-linker metal‒organic frameworks","CrystEngComm","2017","","","","","10.1039/C7CE01447C","","","0.71073","MoKα","","0.2341","0.1463","","","0.3576","0.4158","","","","","","0.978","","","","has coordinates,has disorder","201008","2020-10-21","18:00:00",""
"7229199","16.552","0.0002","18.864","0.0002","29.433","0.0003","90","","90","","90","","9190.07","0.17","150","2","150","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C96 H84 N20 O20 Zn4 -","- C96 H84 N20 O20 Zn4 -","- C384 H336 N80 O80 Zn16 -","4","1","","Burrows, Andrew D.; Chan, Siobhan; Gee, William J.; Mahon, Mary F.; Richardson, Christopher; Sebestyen, Viorica M.; Turski, Domenyk; Warren, Mark R.","The impact of N,N′-ditopic ligand length and geometry on the structures of zinc-based mixed-linker metal‒organic frameworks","CrystEngComm","2017","","","","","10.1039/C7CE01447C","","","0.71073","MoKα","","0.0651","0.0389","","","0.0715","0.0782","","","","","","1.061","","","","has coordinates,has disorder","201008","2020-10-21","18:00:00",""
"7229200","17.3078","0.0006","9.5123","0.0003","13.6988","0.0005","90","","107.821","0.004","90","","2147.11","0.14","130","2","130","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C10 H12 Br8 N2 Te -","- C10 H12 Br8 N2 Te -","- C40 H48 Br32 N8 Te4 -","4","0.5","","Usoltsev, Andrey N.; Adonin, Sergey A.; Novikov, Alexander S.; Samsonenko, Denis G.; Sokolov, Maksim Nailyevich; Fedin, Vladimir P.","One-dimensional polymeric polybromotellurates (IV): structural and theoretical insights into halogen···halogen contacts","CrystEngComm","2017","","","","","10.1039/C7CE01487B","","x-ray","0.71073","MoKα","","0.0254","0.0211","","","0.0443","0.0457","","","","","","1.06","","","","has coordinates","201010","2020-10-21","18:00:00",""
"7229201","9.46401","0.00016","9.46401","0.00016","25.7682","0.0007","90","","90","","90","","2307.99","0.08","130","2","130","2","","","","","","","","5","P 43 21 2","P 4nw 2abw","96","","","","- C12 H16 Br8 N2 Te -","- C12 H16 Br8 N2 Te -","- C48 H64 Br32 N8 Te4 -","4","0.5","","Usoltsev, Andrey N.; Adonin, Sergey A.; Novikov, Alexander S.; Samsonenko, Denis G.; Sokolov, Maksim Nailyevich; Fedin, Vladimir P.","One-dimensional polymeric polybromotellurates (IV): structural and theoretical insights into halogen···halogen contacts","CrystEngComm","2017","","","","","10.1039/C7CE01487B","","x-ray","0.71073","MoKα","","0.0236","0.0199","","","0.0337","0.0346","","","","","","1.054","","","","has coordinates","201010","2020-10-21","18:00:00",""
"7229202","9.17057","0.00017","15.7027","0.0003","17.5191","0.0004","76.7399","0.0017","79.5106","0.0017","74.9556","0.0016","2351.14","0.09","130","2","130","2","","","","","","","","5","P -1","-P 1","2","","","","- C12 H16 Br8 N2 Te -","- C12 H16 Br8 N2 Te -","- C48 H64 Br32 N8 Te4 -","4","2","","Usoltsev, Andrey N.; Adonin, Sergey A.; Novikov, Alexander S.; Samsonenko, Denis G.; Sokolov, Maksim Nailyevich; Fedin, Vladimir P.","One-dimensional polymeric polybromotellurates (IV): structural and theoretical insights into halogen···halogen contacts","CrystEngComm","2017","","","","","10.1039/C7CE01487B","","x-ray","0.71073","MoKα","","0.0444","0.0291","","","0.0541","0.0594","","","","","","1.055","","","","has coordinates","201010","2020-10-21","18:00:00",""
"7229203","14.9365","0.0009","11.352","0.0006","15.1862","0.001","90","","113.086","0.008","90","","2368.7","0.3","130","2","130","2","","","","","","","","5","I 1 2/a 1","-I 2ya","15","","","","- C12 H16 Br8 N2 Te -","- C12 H16 Br8 N2 Te -","- C48 H64 Br32 N8 Te4 -","4","0.5","","Usoltsev, Andrey N.; Adonin, Sergey A.; Novikov, Alexander S.; Samsonenko, Denis G.; Sokolov, Maksim Nailyevich; Fedin, Vladimir P.","One-dimensional polymeric polybromotellurates (IV): structural and theoretical insights into halogen···halogen contacts","CrystEngComm","2017","","","","","10.1039/C7CE01487B","","x-ray","0.71073","MoKα","","0.0257","0.021","","","0.0446","0.0461","","","","","","1.065","","","","has coordinates,has disorder","201010","2020-10-21","18:00:00",""
"7229204","8.5539","0.0004","16.2583","0.0008","7.3347","0.0003","90","","93.656","0.004","90","","1017.97","0.08","130","2","130","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C12 H16 Br6 N2 Te -","- C12 H16 Br6 N2 Te -","- C24 H32 Br12 N4 Te2 -","2","0.5","","Usoltsev, Andrey N.; Adonin, Sergey A.; Novikov, Alexander S.; Samsonenko, Denis G.; Sokolov, Maksim Nailyevich; Fedin, Vladimir P.","One-dimensional polymeric polybromotellurates (IV): structural and theoretical insights into halogen···halogen contacts","CrystEngComm","2017","","","","","10.1039/C7CE01487B","","x-ray","0.71073","MoKα","","0.0344","0.0286","","","0.0605","0.0623","","","","","","1.076","","","","has coordinates","201010","2020-10-21","18:00:00",""
"7229205","7.3033","0.0005","8.6135","0.0006","6.8992","0.0004","90","","99.565","0.003","90","","427.97","0.05","296","2","296","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C2 H7 N O3 -","- C2 H7 N O3 -","- C8 H28 N4 O12 -","4","1","","Pereira, Jorge F. B.; Barber, Patrick S.; Kelley, Steven Paul; Berton, Paula; Rogers, Robin D.","Double Salt Ionic Liquids Based on 1-Ethyl-3-Methylimidazolium Acetate and Hydroxyl-Functionalized Ammonium Acetates: Strong Effects of Weak Interactions","Phys. Chem. Chem. Phys.","2017","","","","","10.1039/C7CP05710E","","","0.71073","MoKα","","0.0338","0.0302","","","0.0825","0.0868","","","","","","0.968","","","","has coordinates","201022","2020-10-21","18:00:00",""
"7229206","7.6326","0.0003","9.1273","0.0003","9.7984","0.0003","90","","104.806","0.002","90","","659.94","0.04","100","2","100","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C4 H11 N O3 -","- C4 H11 N O3 -","- C16 H44 N4 O12 -","4","1","","Pereira, Jorge F. B.; Barber, Patrick S.; Kelley, Steven Paul; Berton, Paula; Rogers, Robin D.","Double Salt Ionic Liquids Based on 1-Ethyl-3-Methylimidazolium Acetate and Hydroxyl-Functionalized Ammonium Acetates: Strong Effects of Weak Interactions","Phys. Chem. Chem. Phys.","2017","","","","","10.1039/C7CP05710E","","","0.71073","MoKα","","0.0458","0.039","","","0.1123","0.1183","","","","","","1","","","","has coordinates","201022","2020-10-21","18:00:00",""
"7229207","6.9335","0.0006","6.9335","0.0006","10.7367","0.0011","90","","90","","120","","447","0.07","100","2","100","2","","","","","","","","4","P 32","P 32","145","","Ethylammonium acetate","","- C4 H11 N O2 -","- C4 H11 N O2 -","- C12 H33 N3 O6 -","3","1","","Pereira, Jorge F. B.; Barber, Patrick S.; Kelley, Steven Paul; Berton, Paula; Rogers, Robin D.","Double Salt Ionic Liquids Based on 1-Ethyl-3-Methylimidazolium Acetate and Hydroxyl-Functionalized Ammonium Acetates: Strong Effects of Weak Interactions","Phys. Chem. Chem. Phys.","2017","","","","","10.1039/C7CP05710E","","","0.71073","MoKα","","0.0553","0.0425","","","0.0935","0.0987","","","","","","1.062","","","","has coordinates","201022","2020-10-21","18:00:00",""
"7229208","7.7116","0.0004","7.1277","0.0004","8.4076","0.0005","90","","102.612","0.002","90","","450.98","0.04","100","2","100","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C7 H17 N O3 -","- C7 H17 N O3 -","- C14 H34 N2 O6 -","2","1","","Pereira, Jorge F. B.; Barber, Patrick S.; Kelley, Steven Paul; Berton, Paula; Rogers, Robin D.","Double Salt Ionic Liquids Based on 1-Ethyl-3-Methylimidazolium Acetate and Hydroxyl-Functionalized Ammonium Acetates: Strong Effects of Weak Interactions","Phys. Chem. Chem. Phys.","2017","","","","","10.1039/C7CP05710E","","","0.71073","MoKα","","0.0306","0.029","","","0.0772","0.0787","","","","","","1.066","","","","has coordinates","201022","2020-10-21","18:00:00",""
"7229209","10.9186","0.0007","10.9186","0.0007","13.3235","0.0011","90","","90","","90","","1588.37","0.19","173","2","173","2","","","","","","","","4","P -4 21 c","P -4 2n","114","","","","- C6 H15 N O2 -","- C6 H15 N O2 -","- C48 H120 N8 O16 -","8","1","","Pereira, Jorge F. B.; Barber, Patrick S.; Kelley, Steven Paul; Berton, Paula; Rogers, Robin D.","Double Salt Ionic Liquids Based on 1-Ethyl-3-Methylimidazolium Acetate and Hydroxyl-Functionalized Ammonium Acetates: Strong Effects of Weak Interactions","Phys. Chem. Chem. Phys.","2017","","","","","10.1039/C7CP05710E","","","1.54178","CuKα","","0.0815","0.0694","","","0.1591","0.1709","","","","","","1.068","","","","has coordinates","201022","2020-10-21","18:00:00",""
"7229210","10.0885","0.0003","10.2199","0.0003","12.6232","0.0003","81.761","0.004","74.572","0.003","79.163","0.004","1226.23","0.06","353","","353","","","","","","","","","5","P -1","-P 1","2","","","","- C24 H48 Cl8 O12 Si8 -","- C24 H48 Cl8 O12 Si8 -","- C24 H48 Cl8 O12 Si8 -","1","0.5","","Kowalewska, Anna; Nowacka, Maria; Włodarska, Magdalena; Zgardzinska, B.; Zaleski, Radosław; Oszajca, Marcin; Krajenta, Justyna; Kazmierski, Slawomir","Solid-state dynamics and single-crystal to single-crystal structural transformations in octakis(3-chloropropyl)octasilsesquioxane and octavinyloctasilsesquioxane.","Phys. Chem. Chem. Phys.","2017","","","","","10.1039/C7CP05233B","powder diffraction","x-ray","1.5418","","","0.094","0.0775","","0.0667","0.0641","","","","1.53","","","","","","","has coordinates","201023","2020-10-21","18:00:00",""
"7229211","10.3481","0.0004","10.4361","0.0004","12.1092","0.0004","87.083","0.008","77.106","0.005","81.234","0.007","1259.66","0.09","383","","383","","","","","","","","","5","P -1","-P 1","2","","","","- C24 H48 Cl8 O12 Si8 -","- C24 H48 Cl8 O12 Si8 -","- C24 H48 Cl8 O12 Si8 -","1","0.5","","Kowalewska, Anna; Nowacka, Maria; Włodarska, Magdalena; Zgardzinska, B.; Zaleski, Radosław; Oszajca, Marcin; Krajenta, Justyna; Kazmierski, Slawomir","Solid-state dynamics and single-crystal to single-crystal structural transformations in octakis(3-chloropropyl)octasilsesquioxane and octavinyloctasilsesquioxane.","Phys. Chem. Chem. Phys.","2017","","","","","10.1039/C7CP05233B","powder diffraction","x-ray","1.5418","","","0.1495","0.0988","","0.0684","0.0626","","","","1.44","","","","","","","has coordinates","201023","2020-10-21","18:00:00",""
"7229212","14.2627","0.0004","13.4623","0.0005","9.8745","0.0007","90","","90","","90","","1895.99","0.16","210","2","210","2","","","","","","","","6","P n m a","-P 2ac 2n","62","","(μ-formato)-(μ-hydroxo)-2-trifluoromethyl-imidazolate-zinc(II) dimethylformamide hemisolvate","","- C6 H6.5 F3 N2.5 O2 Zn -","- C6 H6.5 F3 N2.5 O2 Zn -","- C48 H52 F24 N20 O16 Zn8 -","8","1","","Holdt, Hans-Jurgen; Mondal, Suvendu Sekhar; Hovestadt, Maximilian; Dey, Subarna; Paula, Carolin; Glomb, Sebastian; Kelling, Alexandra; Schilde, Uwe; Janiak, Christoph; Hartmann, Martin","Synthesis of a partially fluorinated ZIF-8 analog for ethane/ethene separation","CrystEngComm","2017","","","","","10.1039/C7CE01438D","","","0.71073","MoKα","","0.0274","0.024","","","0.065","0.067","","","","","","1.01","","","","has coordinates,has disorder","201094","2020-10-21","18:00:00",""
"7229213","17.0786","0.0006","17.0786","0.0006","17.0786","0.0006","90","","90","","90","","4981.5","0.3","180","2","180","2","","","","","","","","6","I -4 3 m","I -4 2 3","217","","(2-methyl-imidazolate)-(2-trifluoromethyl-imidazolate)-zinc(II) dimethylformamide solvate","","- C18 H24.5 F4.5 N8 O2 Zn1.5 -","- C12 H6 F2.25 N6 Zn1.5 -","- C96 H48 F18 N48 Zn12 -","8","0.166667","","Holdt, Hans-Jurgen; Mondal, Suvendu Sekhar; Hovestadt, Maximilian; Dey, Subarna; Paula, Carolin; Glomb, Sebastian; Kelling, Alexandra; Schilde, Uwe; Janiak, Christoph; Hartmann, Martin","Synthesis of a partially fluorinated ZIF-8 analog for ethane/ethene separation","CrystEngComm","2017","","","","","10.1039/C7CE01438D","","","0.71073","MoKα","","0.045","0.0383","","","0.0976","0.1003","","","","","","1.143","","","","has coordinates","201094","2020-10-21","18:00:00",""
"7229214","18.519","0.0003","25.5918","0.0005","17.2622","0.0003","90","","90","","90","","8181.2","0.3","123","2","123","2","","","","","","","","6","C c c a :2","-C 2a 2ac","68","","","","- C88 H60 Cl8 N12 O1.44 Zn4 -","- C88 H60 Cl8 N12 O1.444 Zn4 -","- C352 H240 Cl32 N48 O5.776 Zn16 -","4","0.25","","Tian, Xiao-Yun; Zhou, Hao-Long; Fang, Xin; Mo, Zong-Wen; Xu, Yantong; Zhou, Dong-Dong; Zhang, Jie-Peng","Diverse coordination polymers from a new bent dipyridyl type ligand 3,6-di(pyridin-4-yl)-9H-carbazole","CrystEngComm","2017","","","","","10.1039/C7CE01483J","","","1.54184","CuKα","","0.0342","0.0332","","","0.0928","0.0941","","","","","","1.047","","","","has coordinates,has disorder","201095","2020-10-21","18:00:00",""
"7229215","23.5121","0.0008","7.7408","0.0003","15.3224","0.0005","90","","118.548","0.003","90","","2449.65","0.16","156","2","156","","","","","","","","","7","C 1 2 1","C 2y","5","","","","- C50 H50 F7 N8 O5 P Zn -","- C50 H50 F7 N8 O5 P Zn -","- C100 H100 F14 N16 O10 P2 Zn2 -","2","0.5","","Tian, Xiao-Yun; Zhou, Hao-Long; Fang, Xin; Mo, Zong-Wen; Xu, Yantong; Zhou, Dong-Dong; Zhang, Jie-Peng","Diverse coordination polymers from a new bent dipyridyl type ligand 3,6-di(pyridin-4-yl)-9H-carbazole","CrystEngComm","2017","","","","","10.1039/C7CE01483J","","","1.54178","CuKα","","0.0291","0.029","","","0.0796","0.0797","","","","","","1.061","","","","has coordinates","201095","2020-10-21","18:00:00",""
"7229216","9.06863","0.00011","15.7253","0.00018","13.52583","0.00016","90","","101.215","0.0012","90","","1892.04","0.04","173","2","173","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C22 H15 Cl2 N3 Zn -","- C22 H15 Cl2 N3 Zn -","- C88 H60 Cl8 N12 Zn4 -","4","1","","Tian, Xiao-Yun; Zhou, Hao-Long; Fang, Xin; Mo, Zong-Wen; Xu, Yantong; Zhou, Dong-Dong; Zhang, Jie-Peng","Diverse coordination polymers from a new bent dipyridyl type ligand 3,6-di(pyridin-4-yl)-9H-carbazole","CrystEngComm","2017","","","","","10.1039/C7CE01483J","","","1.54184","CuKα","","0.0394","0.038","","","0.1025","0.1069","","","","","","1.065","","","","has coordinates","201095","2020-10-21","18:00:00",""
"7229217","26.5001","0.0006","7.7383","0.0001","27.4332","0.0007","90","","112.066","0.003","90","","5213.5","0.2","150","2","150","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C44 H30 F6 N6 Si Zn -","- C44 H30 F6 N6 Si Zn -","- C176 H120 F24 N24 Si4 Zn4 -","4","0.5","","Tian, Xiao-Yun; Zhou, Hao-Long; Fang, Xin; Mo, Zong-Wen; Xu, Yantong; Zhou, Dong-Dong; Zhang, Jie-Peng","Diverse coordination polymers from a new bent dipyridyl type ligand 3,6-di(pyridin-4-yl)-9H-carbazole","CrystEngComm","2017","","","","","10.1039/C7CE01483J","","","1.54178","CuKα","","0.0571","0.053","","","0.1627","0.165","","","","","","1.088","","","","has coordinates","201095","2020-10-21","18:00:00",""
"7229218","4.8911","0.0006","10.0848","0.0012","11.8785","0.0013","95.772","0.009","96.25","0.009","103.656","0.01","561.11","0.12","295","","295","","","","","","","","","6","P -1","-P 1","2","","","","- C6 H13 Br Ca0.5 N3 O4 -","- C6 H13 Br Ca0.5 N3 O4 -","- C12 H26 Br2 Ca N6 O8 -","2","1","","Shemchuk, Oleksii; Degli Esposti, Lorenzo; Grepioni, Fabrizia; Braga, Dario","Ionic co-crystals of enantiopure and racemic histidine with calcium halides","CrystEngComm","2017","","","","","10.1039/C7CE01326D","","x-ray","0.71073","MoKα","","0.1304","0.0938","","","0.2379","0.2683","","","","","","1.071","","","","has coordinates","201157","2020-10-21","18:00:00",""
"7229219","20.9187","0.0019","5.1257","0.0005","11.118","0.0007","90","","115.051","0.006","90","","1079.97","0.17","295","","295","","","","","","","","","6","C 1 2 1","C 2y","5","","","","- C12 H24 Br2 Ca N6 O7 -","- C12 H24 Br2 Ca N6 O7 -","- C24 H48 Br4 Ca2 N12 O14 -","2","0.5","","Shemchuk, Oleksii; Degli Esposti, Lorenzo; Grepioni, Fabrizia; Braga, Dario","Ionic co-crystals of enantiopure and racemic histidine with calcium halides","CrystEngComm","2017","","","","","10.1039/C7CE01326D","","x-ray","0.71073","MoKα","","0.0739","0.0499","","","0.1","0.1184","","","","","","1.028","","","","has coordinates","201157","2020-10-21","18:00:00",""
"7229220","4.9123","0.0006","20.333","0.002","23.505","0.003","90","","90","","90","","2347.7","0.5","293","2","293","2","","","","","","","","6","C 2 2 21","C 2c 2","20","","","","- C12 H24 Ca I2 N6 O7 -","- C12 H24 Ca I2 N6 O7 -","- C48 H96 Ca4 I8 N24 O28 -","4","0.5","","Shemchuk, Oleksii; Degli Esposti, Lorenzo; Grepioni, Fabrizia; Braga, Dario","Ionic co-crystals of enantiopure and racemic histidine with calcium halides","CrystEngComm","2017","","","","","10.1039/C7CE01326D","","","0.71073","MoKα","","0.1619","0.0698","","","0.0831","0.1058","","","","","","1.038","","","","has coordinates","201157","2020-10-21","18:00:00",""
"7229221","4.90323","0.00009","10.54663","0.00002","11.9651","0.0003","94.539","0.00013","95.9258","0.00013","102.703","0.0013","597.058","0.019","298","","298","","","","","","","","","6","P -1","-P 1","2","","","","- C12 H18 Ca I2 N6 O8 -","- C12 H18 Ca0.5 I2 N6 O8 -","- C12 H18 Ca0.5 I2 N6 O8 -","1","0.5","","Shemchuk, Oleksii; Degli Esposti, Lorenzo; Grepioni, Fabrizia; Braga, Dario","Ionic co-crystals of enantiopure and racemic histidine with calcium halides","CrystEngComm","2017","","","","","10.1039/C7CE01326D","powder diffraction","x-ray","1.5418","CuKα","","","","","","","","","0.0331","1.55828","","","","","","","has coordinates","201157","2020-10-21","18:00:00",""
"7229222","20.6509","0.0011","5.1087","0.0003","10.788","0.0005","90","","114.287","0.004","90","","1037.4","0.1","295","","295","","","","","","","","","6","C 1 2 1","C 2y","5","","","","- C12 H24 Ca Cl2 N6 O7 -","- C12 H24 Ca Cl2 N6 O7 -","- C24 H48 Ca2 Cl4 N12 O14 -","2","0.5","","Shemchuk, Oleksii; Degli Esposti, Lorenzo; Grepioni, Fabrizia; Braga, Dario","Ionic co-crystals of enantiopure and racemic histidine with calcium halides","CrystEngComm","2017","","","","","10.1039/C7CE01326D","","x-ray","0.71073","MoKα","","0.0527","0.039","","","0.0986","0.1306","","","","","","0.745","","","","has coordinates","201157","2020-10-21","18:00:00",""
"7229223","18.8783","0.0004","5.09053","0.00011","10.7999","0.0003","90","","97.8572","0.0013","90","","1028.13","0.04","298","","298","","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C12 H21 Ca Cl2 N6 O7 -","- C12 H18 Ca Cl2 N6 O7 -","- C24 H36 Ca2 Cl4 N12 O14 -","2","0.5","","Shemchuk, Oleksii; Degli Esposti, Lorenzo; Grepioni, Fabrizia; Braga, Dario","Ionic co-crystals of enantiopure and racemic histidine with calcium halides","CrystEngComm","2017","","","","","10.1039/C7CE01326D","powder diffraction","x-ray","1.5418","CuKα","","","","","","","","","0.0257","3.53882","","","","","","","has coordinates","201157","2020-10-21","18:00:00",""
"7229224","16.7254","0.0003","4.87733","0.00007","14.9091","0.0002","90","","97.3744","0.0009","90","","1206.15","0.03","298","","298","","","","","","","","","6","I 1 2 1","I 2y","5","","","","- C12 H26 Ca I2 N6 O8 -","- C12 H18 Ca I2 N6 O8 -","- C24 H36 Ca2 I4 N12 O16 -","2","0.5","","Shemchuk, Oleksii; Degli Esposti, Lorenzo; Grepioni, Fabrizia; Braga, Dario","Ionic co-crystals of enantiopure and racemic histidine with calcium halides","CrystEngComm","2017","","","","","10.1039/C7CE01326D","powder diffraction","x-ray","1.5418","CuKα","","","","","","","","","0.0277","1.44467","","","","","","","has coordinates","201157","2020-10-21","18:00:00",""
"7229225","22.5633","0.0011","10.2111","0.0005","13.1867","0.0005","90","","90","","90","","3038.2","0.2","100","","100","","","","","","","","","4","P c a 21","P 2c -2ac","29","","","","- C13 H22 N2 O4 -","- C13 H22 N2 O4 -","- C104 H176 N16 O32 -","8","2","","de Robillard, G.; Fournier, A. H.; Cattey, H.; Devillers, C. H.; Andrieu, J.","Bio-based 1,3-diisobutyl imidazolium hydrogen oxalate [iBu2IM](HC2O4) as CO2 shuttle","Green Chem.","2017","","","","","10.1039/C7GC02167D","","","0.71073","MoKα","","0.0581","0.0379","","","0.0744","0.0805","","","","","","1.014","","","","has coordinates,has disorder","206489","2020-10-21","18:00:00",""
"7229226","10.1801","0.0012","12.3007","0.0015","11.6842","0.0015","90","","96.132","0.004","90","","1454.8","0.3","298","","298","","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C12 H22 N2 O3 -","- C12 H22 N2 O3 -","- C48 H88 N8 O12 -","4","1","","de Robillard, G.; Fournier, A. H.; Cattey, H.; Devillers, C. H.; Andrieu, J.","Bio-based 1,3-diisobutyl imidazolium hydrogen oxalate [iBu2IM](HC2O4) as CO2 shuttle","Green Chem.","2017","","","","","10.1039/C7GC02167D","","x-ray","0.71073","MoKα","","0.117","0.0679","","","0.1815","0.2294","","","","","","1.017","","","","has coordinates","201164","2020-10-21","18:00:00",""
"7229227","10.1936","0.0007","12.6081","0.001","25.0746","0.0017","102.184","0.004","97.398","0.004","94.832","0.005","3103.1","0.4","142","2","142","2","","","","","","","","5","P -1","-P 1","2","","tributyl(1H,1H,2H,2H-perfluorodecyl)phosphonium dicyanamide","","- C24 H31 F17 N3 P -","- C24 H31 F17 N3 P -","- C96 H124 F68 N12 P4 -","4","2","","Zhang, Peng; Rauber, Daniel; Huch, Volker; Kraus, Tobias; Hempelmann, Rolf","Lamellar Structures in Fluorinated Phosphonium Ionic Liquids: the Roles of Fluorination and Chain Length","Phys. Chem. Chem. Phys.","2017","","","","","10.1039/C7CP04814A","","","0.71073","MoKα","","0.0947","0.0593","","","0.147","0.1679","","","","","","1.032","","","","has coordinates,has disorder","201166","2020-10-21","18:00:00",""
"7229228","9.2108","0.0006","11.4244","0.0006","11.4731","0.0007","68.214","0.002","87.658","0.002","69.9597","0.0019","1048.01","0.11","150","2","150","2","","","","","","","","5","P -1","-P 1","2","","","","- C25 H15 Br2 N O2 -","- C25 H15 Br2 N O2 -","- C50 H30 Br4 N2 O4 -","2","1","","Manjappa, Kiran B.; Peng, Yu-Ting; Liou, Teau-Jiuan; Yang, Ding-Yah","Pseudo three-component approach to coumarin-annulated azepines: synthesis of coumarin[3,4-b]azepines","RSC Adv.","2017","7","72","45269","","10.1039/C7RA09289J","","x-ray","0.71073","MoKα","","0.0838","0.0663","","","0.1603","0.1708","","","","","","1.076","","","","has coordinates,has disorder","201198","2020-10-21","18:00:00",""
"7229229","9.2739","0.0008","10.1856","0.0011","11.5874","0.0008","97.047","0.007","107.405","0.007","115.973","0.009","896.95","0.18","150","2","150","2","","","","","","","","4","P -1","-P 1","2","","","","- C25 H17 N O2 -","- C25 H17 N O2 -","- C50 H34 N2 O4 -","2","1","","Manjappa, Kiran B.; Peng, Yu-Ting; Liou, Teau-Jiuan; Yang, Ding-Yah","Pseudo three-component approach to coumarin-annulated azepines: synthesis of coumarin[3,4-b]azepines","RSC Adv.","2017","7","72","45269","","10.1039/C7RA09289J","","x-ray","0.71073","MoKα","","0.0655","0.0471","","","0.1055","0.1192","","","","","","1.026","","","","has coordinates","201198","2020-10-21","18:00:00",""
"7229230","7.7587","0.0004","9.5337","0.0005","11.8411","0.0005","69.6858","0.0015","82.1641","0.0016","76.8271","0.0016","798.21","0.07","150","2","150","2","","","","","","","","4","P -1","-P 1","2","","","","- C21 H13 N O4 -","- C21 H13 N O4 -","- C42 H26 N2 O8 -","2","1","","Manjappa, Kiran B.; Peng, Yu-Ting; Liou, Teau-Jiuan; Yang, Ding-Yah","Pseudo three-component approach to coumarin-annulated azepines: synthesis of coumarin[3,4-b]azepines","RSC Adv.","2017","7","72","45269","","10.1039/C7RA09289J","","x-ray","0.71073","MoKα","","0.0472","0.0378","","","0.0945","0.1011","","","","","","1.03","","","","has coordinates","201198","2020-10-21","18:00:00",""
"7229231","33.5891","0.0007","33.5891","0.0007","35.8422","0.0009","90","","90","","90","","40438.2","1.6","173","2","173","2","","","","","","","","4","I 41 2 2","I 4bw 2bw","98","calixsalen","","","- C84 H104 N12 O17.5 -","- C84 H104 N12 O17.5 -","- C1344 H1664 N192 O280 -","16","1","","Petryk, Małgorzata; Janiak, Agnieszka; Kwit, Marcin","Unexpected formation of a tubular architecture by optically active pure organic calixsalen","CrystEngComm","2017","","","","","10.1039/C7CE01529A","","","1.54178","CuKα","","0.0647","0.0588","","","0.1695","0.1761","","","","","","1.047","","","","has coordinates,has disorder","201248","2020-10-21","18:00:00",""
"7229232","12.7549","0.0011","13.762","0.0011","21.742","0.002","90","","90","","90","","3816.4","0.6","173","2","173","2","","","","","","","","6","C m c m","-C 2c 2","63","","1","","- C38 H28 Co2 N2 O14 S2 -","- C38 H28 Co2 N2 O14 S2 -","- C152 H112 Co8 N8 O56 S8 -","4","0.25","","Park, In-Hyeok; Herng, Tun Seng; Ju, Huiyeong; Ding, Jun; Lee, Shim Sung; Vittal, Jagadese J.","Synthesis, structures and magnetic properties of isoreticular polyrotaxane-type two-dimensional coordination polymers","RSC Adv.","2017","7","72","45582","","10.1039/C7RA07637A","","","0.71073","MoKα","","0.1405","0.1187","","","0.2604","0.2696","","","","","","1.203","","","","has coordinates","201253","2020-10-21","18:00:00",""
"7229233","15.9968","0.0012","22.134","0.0016","12.5998","0.0009","90","","104.056","0.004","90","","4327.7","0.6","173","2","173","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","2","","- C40 H26 Co2 N2 O12 S2 -","- C40 H26 Co2 N2 O12 S2 -","- C160 H104 Co8 N8 O48 S8 -","4","1","","Park, In-Hyeok; Herng, Tun Seng; Ju, Huiyeong; Ding, Jun; Lee, Shim Sung; Vittal, Jagadese J.","Synthesis, structures and magnetic properties of isoreticular polyrotaxane-type two-dimensional coordination polymers","RSC Adv.","2017","7","72","45582","","10.1039/C7RA07637A","","","0.71073","MoKα","","0.0829","0.0602","","","0.1459","0.154","","","","","","1.081","","","","has coordinates,has disorder","201253","2020-10-21","18:00:00",""
"7229234","14.9209","0.0009","18.7056","0.0012","14.3767","0.0009","90","","93.052","0.002","90","","4006.9","0.4","135","2","135","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C45 H55 Mg N O2 Si -","- C45 H55 Mg N O2 Si -","- C180 H220 Mg4 N4 O8 Si4 -","4","1","","Ma, Mengtao; Li, Jia; Shen, Xingchao; Yu, Zhijuan; Yao, Weiwei; Pullarkat, Sumod A.","Sterically bulky amido magnesium methyl complexes: syntheses, structures and catalysis","RSC Adv.","2017","7","72","45401","","10.1039/C7RA08836A","","","0.71073","MoKα","","0.1195","0.0736","","","0.1669","0.1957","","","","","","1.006","","","","has coordinates","201254","2020-10-21","18:00:00",""
"7229235","11.0079","0.0006","11.3921","0.0005","20.2197","0.001","75.751","0.001","87.559","0.002","71.681","0.001","2331.4","0.2","135","2","135","2","","","","","","","","6","P -1","-P 1","2","","","","- C58 H57 Mg N O Si -","- C58 H57 Mg N O Si -","- C116 H114 Mg2 N2 O2 Si2 -","2","1","","Ma, Mengtao; Li, Jia; Shen, Xingchao; Yu, Zhijuan; Yao, Weiwei; Pullarkat, Sumod A.","Sterically bulky amido magnesium methyl complexes: syntheses, structures and catalysis","RSC Adv.","2017","7","72","45401","","10.1039/C7RA08836A","","","0.71073","MoKα","","0.0628","0.0503","","","0.1525","0.1634","","","","","","1.197","","","","has coordinates","201254","2020-10-21","18:00:00",""
"7229236","9.8194","0.0007","16.348","0.0011","16.4988","0.0011","92.119","0.002","94.112","0.002","90.371","0.002","2639.8","0.3","135","2","135","2","","","","","","","","6","P -1","-P 1","2","","","","- C24 H45 Mg N O2 Si -","- C24 H45 Mg N O2 Si -","- C96 H180 Mg4 N4 O8 Si4 -","4","2","","Ma, Mengtao; Li, Jia; Shen, Xingchao; Yu, Zhijuan; Yao, Weiwei; Pullarkat, Sumod A.","Sterically bulky amido magnesium methyl complexes: syntheses, structures and catalysis","RSC Adv.","2017","7","72","45401","","10.1039/C7RA08836A","","","0.71073","MoKα","","0.0956","0.0762","","","0.195","0.2043","","","","","","1.119","","","","has coordinates","201254","2020-10-21","18:00:00",""
"7229237","10.8664","0.0004","38.1625","0.0015","11.184","0.0004","90","","106.527","0.001","90","","4446.3","0.3","135","2","135","2","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C56 H53 Mg N O Si -","- C56 H53 Mg N O Si -","- C224 H212 Mg4 N4 O4 Si4 -","4","2","","Ma, Mengtao; Li, Jia; Shen, Xingchao; Yu, Zhijuan; Yao, Weiwei; Pullarkat, Sumod A.","Sterically bulky amido magnesium methyl complexes: syntheses, structures and catalysis","RSC Adv.","2017","7","72","45401","","10.1039/C7RA08836A","","","0.71073","MoKα","","0.0571","0.0453","","","0.0986","0.1041","","","","","","1.017","","","","has coordinates","201254","2020-10-21","18:00:00",""
"7229238","21.9686","0.0008","6.8017","0.0003","20.0238","0.0008","90","","90","","90","","2992","0.2","293","2","293","2","","","","","","","","5","C m c m","-C 2c 2","63","","","","- C11 H8 Co N6 O3 -","- C11 H8 Co N6 O3 -","- C88 H64 Co8 N48 O24 -","8","0.5","","Jiang, Wen-Hong; Zhang, Han-Zhong; Hou, Guang-Feng; Ma, Dong-Sheng; Liu, Bin; Yu, Ying-Hui","Five Co(ii) coordination polymers with different counter anions based on [3,5-di(4H-1,2,4-triazol-4-yl)benzoato]− ligand: directed synthesis, structures and magnetic properties","RSC Adv.","2017","7","72","45641","","10.1039/C7RA07089F","","","0.71073","MoKα","","0.0723","0.0539","","","0.1785","0.1957","","","","","","1.032","","","","has coordinates,has disorder","201255","2020-10-21","18:00:00",""
"7229239","16.8418","0.0004","7.0186","0.0002","19.1189","0.0004","90","","101.871","0.002","90","","2211.63","0.1","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C22 H18 Co N12 O6 -","- C22 H18 Co N12 O6 -","- C88 H72 Co4 N48 O24 -","4","1","","Jiang, Wen-Hong; Zhang, Han-Zhong; Hou, Guang-Feng; Ma, Dong-Sheng; Liu, Bin; Yu, Ying-Hui","Five Co(ii) coordination polymers with different counter anions based on [3,5-di(4H-1,2,4-triazol-4-yl)benzoato]− ligand: directed synthesis, structures and magnetic properties","RSC Adv.","2017","7","72","45641","","10.1039/C7RA07089F","","","0.71073","MoKα","","0.0515","0.0373","","","0.0894","0.0968","","","","","","1.041","","","","has coordinates","201255","2020-10-21","18:00:00",""
"7229240","7.1293","0.0014","11.442","0.002","8.2387","0.0016","90","","90","","90","","672.1","0.2","293","2","293","2","","","","","","","","6","P m m a","-P 2a 2a","51","","","","- C11 H9 Cl Co N6 O3 -","- C11 H7 Cl Co N6 O3 -","- C22 H14 Cl2 Co2 N12 O6 -","2","0.25","","Jiang, Wen-Hong; Zhang, Han-Zhong; Hou, Guang-Feng; Ma, Dong-Sheng; Liu, Bin; Yu, Ying-Hui","Five Co(ii) coordination polymers with different counter anions based on [3,5-di(4H-1,2,4-triazol-4-yl)benzoato]− ligand: directed synthesis, structures and magnetic properties","RSC Adv.","2017","7","72","45641","","10.1039/C7RA07089F","","","0.71073","MoKα","","0.0325","0.0297","","","0.0784","0.0803","","","","","","1.078","","","","has coordinates","201255","2020-10-21","18:00:00",""
"7229241","6.9023","0.0002","11.6321","0.0004","8.0322","0.0003","90","","90","","90","","644.89","0.04","293","2","293","2","","","","","","","","6","P m m 2","P 2 -2","25","","","","- C22 H20 Co2 N12 O11 S -","- C22 H20 Co1.952 N12 O11 S -","- C22 H20 Co1.952 N12 O11 S -","1","0.25","","Jiang, Wen-Hong; Zhang, Han-Zhong; Hou, Guang-Feng; Ma, Dong-Sheng; Liu, Bin; Yu, Ying-Hui","Five Co(ii) coordination polymers with different counter anions based on [3,5-di(4H-1,2,4-triazol-4-yl)benzoato]− ligand: directed synthesis, structures and magnetic properties","RSC Adv.","2017","7","72","45641","","10.1039/C7RA07089F","","","0.71073","MoKα","","0.0341","0.0304","","","0.07","0.0736","","","","","","1.023","","","","has coordinates,has disorder","201255","2020-10-21","18:00:00",""
"7229242","16.9247","0.0004","17.5262","0.0004","15.1234","0.0004","90","","93.431","0.002","90","","4477.95","0.19","293","2","293","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C33 H31 Co3 N21 O20 -","- C33 H23 Co3 N21 O20 -","- C132 H92 Co12 N84 O80 -","4","0.5","","Jiang, Wen-Hong; Zhang, Han-Zhong; Hou, Guang-Feng; Ma, Dong-Sheng; Liu, Bin; Yu, Ying-Hui","Five Co(ii) coordination polymers with different counter anions based on [3,5-di(4H-1,2,4-triazol-4-yl)benzoato]− ligand: directed synthesis, structures and magnetic properties","RSC Adv.","2017","7","72","45641","","10.1039/C7RA07089F","","","0.71073","MoKα","","0.0865","0.0599","","","0.1525","0.1673","","","","","","1.042","","","","has coordinates","201255","2020-10-21","18:00:00",""
"7229243","11.9977","0.001","25.907","0.002","15.0221","0.001","90","","126.689","0.005","90","","3744.2","0.5","173","2","173.15","","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C58 H40 F36 Gd2 N8 O16 -","- C58 H40 F36 Gd2 N8 O16 -","- C116 H80 F72 Gd4 N16 O32 -","2","0.5","","Chen, Peng Yun; Shi, Xiu Juan; Li, Ting; Tian, Li; Liu, Zhong Yi; Hua, Feng Zhen; Yu, Si Jia; Xu, Yuan Yuan","Modulating spin dynamics of binuclear LnIII‒radical complexes by using different indazole radicals","RSC Adv.","2017","7","72","45504","","10.1039/C7RA09192C","","","0.71073","MoKα","","0.0867","0.0597","","","0.148","0.1659","","","","","","1.037","","","","has coordinates,has disorder","201256","2020-10-21","18:00:00",""
"7229244","11.9723","0.0004","24.1441","0.0009","12.9349","0.0005","90","","100.167","0.003","90","","3680.3","0.2","111.07","0.15","111.07","0.15","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C58 H40 Dy2 F36 N8 O16 -","- C58 H40 Dy2 F36 N8 O16 -","- C116 H80 Dy4 F72 N16 O32 -","2","0.5","","Chen, Peng Yun; Shi, Xiu Juan; Li, Ting; Tian, Li; Liu, Zhong Yi; Hua, Feng Zhen; Yu, Si Jia; Xu, Yuan Yuan","Modulating spin dynamics of binuclear LnIII‒radical complexes by using different indazole radicals","RSC Adv.","2017","7","72","45504","","10.1039/C7RA09192C","","x-ray","0.71073","MoKα","","0.0559","0.0449","","","0.1024","0.1106","","","","","","1.038","","","","has coordinates,has disorder","201256","2020-10-21","18:00:00",""
"7229245","11.9689","0.0002","25.9221","0.0005","12.3832","0.0002","90","","103.828","0.0017","90","","3730.65","0.12","129","1","129","1","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C58 H40 Dy2 F36 N8 O16 -","- C58 H40 Dy2 F36 N8 O16 -","- C116 H80 Dy4 F72 N16 O32 -","2","0.5","","Chen, Peng Yun; Shi, Xiu Juan; Li, Ting; Tian, Li; Liu, Zhong Yi; Hua, Feng Zhen; Yu, Si Jia; Xu, Yuan Yuan","Modulating spin dynamics of binuclear LnIII‒radical complexes by using different indazole radicals","RSC Adv.","2017","7","72","45504","","10.1039/C7RA09192C","","x-ray","1.54184","CuKα","","0.0722","0.057","","","0.1469","0.1597","","","","","","1.03","","","","has coordinates,has disorder","201256","2020-10-21","18:00:00",""
"7229246","12.0292","0.0004","24.1953","0.0012","12.9431","0.0005","90","","100.293","0.004","90","","3706.5","0.3","110.5","0.2","110.5","0.2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C58 H40 F36 Gd2 N8 O16 -","- C58 H40 F36 Gd2 N8 O16 -","- C116 H80 F72 Gd4 N16 O32 -","2","0.5","","Chen, Peng Yun; Shi, Xiu Juan; Li, Ting; Tian, Li; Liu, Zhong Yi; Hua, Feng Zhen; Yu, Si Jia; Xu, Yuan Yuan","Modulating spin dynamics of binuclear LnIII‒radical complexes by using different indazole radicals","RSC Adv.","2017","7","72","45504","","10.1039/C7RA09192C","","x-ray","0.71073","MoKα","","0.0583","0.0473","","","0.1002","0.1077","","","","","","1.042","","","","has coordinates,has disorder","201256","2020-10-21","18:00:00",""
"7229247","20.4135","0.0008","8.9845","0.0004","23.0411","0.0009","90","","92.499","0.003","90","","4221.8","0.3","293","2","293","2","","","","","","","","7","C 1 2/c 1","-C 2yc","15","Zinc diphosphonate ethelenediamine","","","- C6 H18 N2 O15 P4 S0 Zn3 -","- C6 H18 N2 O15 P4 Zn3 -","- C48 H144 N16 O120 P32 Zn24 -","8","1","","Paul, Avijit Kumar; Kanagaraj, Rajendiran; Jana, Ajay; Maji, Pradip","Novel Amine Templated Three-Dimensional Zinc-Organophosphonates with Variable Pore-Openings","CrystEngComm","2017","","","","","10.1039/C7CE00994A","","","0.71073","MoKα","","0.0859","0.0732","","","0.1702","0.1805","","","","","","1.051","","","","has coordinates","201290","2020-10-21","18:00:00",""
"7229248","18.117","0.0004","9.8448","0.0003","10.7798","0.0003","90","","90","","90","","1922.67","0.09","296","2","296","2","","","","","","","","6","P b c n","-P 2n 2ab","60","Zinc diphosphonate 1,3-diaminopropane","","","- C7 H20 N2 O14 P4 Zn3 -","- C7 H20 N2 O14 P4 Zn3 -","- C28 H80 N8 O56 P16 Zn12 -","4","0.5","","Paul, Avijit Kumar; Kanagaraj, Rajendiran; Jana, Ajay; Maji, Pradip","Novel Amine Templated Three-Dimensional Zinc-Organophosphonates with Variable Pore-Openings","CrystEngComm","2017","","","","","10.1039/C7CE00994A","","","0.71073","MoKα","","0.0361","0.0271","","","0.0768","0.0978","","","","","","1.041","","","","has coordinates","201290","2020-10-21","18:00:00",""
"7229249","10.2729","0.0003","18.1781","0.0005","10.7119","0.0003","90","","90","","90","","2000.36","0.1","296","2","296","2","","","","","","","","6","A e a 2","A 2 -2ab","41","Zinc diphosphonate dabco","","","- C10 H20 N2 O14 P4 Zn3 -","- C10 H20 N2 O14 P4 Zn3 -","- C40 H80 N8 O56 P16 Zn12 -","4","0.5","","Paul, Avijit Kumar; Kanagaraj, Rajendiran; Jana, Ajay; Maji, Pradip","Novel Amine Templated Three-Dimensional Zinc-Organophosphonates with Variable Pore-Openings","CrystEngComm","2017","","","","","10.1039/C7CE00994A","","","0.71073","MoKα","","0.0308","0.0285","","","0.0794","0.0929","","","","","","1.152","","","","has coordinates","201290","2020-10-21","18:00:00",""
"7229250","18.1736","0.0007","9.9376","0.0006","10.3543","0.0004","90","","90","","90","","1870.01","0.15","293","2","293","2","","","","","","","","6","P b c n","-P 2n 2ab","60","Zinc diphosphonate 1,2 diaminopropane","","","- C7 H17 N3 O14 P4 Zn3 -","- C7 H17 N3 O14 P4 Zn3 -","- C28 H68 N12 O56 P16 Zn12 -","4","0.5","","Paul, Avijit Kumar; Kanagaraj, Rajendiran; Jana, Ajay; Maji, Pradip","Novel Amine Templated Three-Dimensional Zinc-Organophosphonates with Variable Pore-Openings","CrystEngComm","2017","","","","","10.1039/C7CE00994A","","","0.71073","MoKα","","0.0663","0.0503","","","0.1075","0.1147","","","","","","1.056","","","","has coordinates","201290","2020-10-21","18:00:00",""
"7229251","20.3473","0.0005","9.1752","0.0002","23.2486","0.0005","90","","91.254","0.001","90","","4339.25","0.17","293","2","293","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","Zinc diphosphonate diethelenetriamine","","","- C8 H22 N3 O14 P4 Zn3 -","- C8 H22 N3 O14 P4 Zn3 -","- C64 H176 N24 O112 P32 Zn24 -","8","1","","Paul, Avijit Kumar; Kanagaraj, Rajendiran; Jana, Ajay; Maji, Pradip","Novel Amine Templated Three-Dimensional Zinc-Organophosphonates with Variable Pore-Openings","CrystEngComm","2017","","","","","10.1039/C7CE00994A","","","0.71073","MoKα","","0.0407","0.0365","","","0.1078","0.1104","","","","","","1.076","","","","has coordinates","201290","2020-10-21","18:00:00",""
"7229252","21.6561","0.0006","5.3166","0.0001","22.9403","0.0006","90","","114.074","0.001","90","","2411.53","0.1","150","","150","","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C18 H11 N O -","- C18 H11 N O -","- C144 H88 N8 O8 -","8","1","","Parisien-Collette, Shawn; Cruché, Corentin; Abel-Snape, Xavier; Collins, Shawn K.","Photochemical intramolecular amination for the synthesis of heterocycles","Green Chem.","2017","","","","","10.1039/C7GC02261A","","x-ray","1.34139","GaKα","","0.0428","0.0416","","","0.1042","0.1057","","","","","","1.082","","","","has coordinates","201334","2020-10-21","18:00:00",""
"7229253","8.1196","0.0005","9.4949","0.0007","10.9553","0.0007","105.246","0.006","108.647","0.006","95.76","0.006","756.22","0.1","293","2","293","2","","","","","","","","4","P 1","P 1","1","","","","- C24 H29 O20.5 Zn4 -","- C24 H29 O20.5 Zn4 -","- C24 H29 O20.5 Zn4 -","1","1","","Gu, Lei; Zhang, Han-Zhong; Jiang, Wen-Hong; Hou, Guang-Feng; Yu, Ying-Hui; Ma, Dong-Sheng","A pair of novel Zn(ii) enantiomeric coordination polymers based on a chiral multicarboxylate ligand: synthesis, crystal structures and molecular recognition properties","RSC Adv.","2017","7","72","45862","","10.1039/C7RA08433A","","","0.71073","MoKα","","0.0359","0.0283","","","0.0577","0.0605","","","","","","1.005","","","","has coordinates","201342","2020-10-21","18:00:00",""
"7229254","8.1097","0.0003","9.504","0.0004","10.9547","0.0004","105.082","0.001","108.509","0.001","95.914","0.001","757.02","0.05","293","2","293","2","","","","","","","","4","P 1","P 1","1","","","","- C24 H28 O20 Zn4 -","- C24 H28 O20 Zn4 -","- C24 H28 O20 Zn4 -","1","1","","Gu, Lei; Zhang, Han-Zhong; Jiang, Wen-Hong; Hou, Guang-Feng; Yu, Ying-Hui; Ma, Dong-Sheng","A pair of novel Zn(ii) enantiomeric coordination polymers based on a chiral multicarboxylate ligand: synthesis, crystal structures and molecular recognition properties","RSC Adv.","2017","7","72","45862","","10.1039/C7RA08433A","","","0.71073","MoKα","","0.0379","0.0267","","","0.0554","0.0598","","","","","","1.018","","","","has coordinates","211196","2020-10-21","18:00:00",""
"7229255","12.0708","0.0009","18.5658","0.0014","16.5122","0.0012","90","","101.264","0.004","90","","3629.2","0.5","173","","173","","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","o-toryl nickel(dcpe)I complex","","- C34 H57 Cl2 I Ni P2 -","- C34 H57 Cl2 I Ni P2 -","- C136 H228 Cl8 I4 Ni4 P8 -","4","1","","Hatakeyama, Makoto; Sakamoto, Yuki; Ogata, Koji; Sumida, Yuto; Sumida, Tomoe; Hosoya, Takamitsu; Nakamura, Shinichiro","A study on an unusual SN2 mechanism in the methylation of benzyne through nickel-complexation","Phys. Chem. Chem. Phys.","2017","","","","","10.1039/C7CP04739H","","","0.71075","MoKα","","0.0465","0.0301","","","0.0648","0.0704","","","","","","1.004","","","","has coordinates,has disorder","201500","2020-10-21","18:00:00",""
"7229256","17.442","0.007","21.243","0.009","11.468","0.004","90","","129.716","0.004","90","","3269","2","296","2","296.15","","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C27 H35 Cd2 N3 O14 S2 -","- C27 H35 Cd2 N3 O14 S2 -","- C108 H140 Cd8 N12 O56 S8 -","4","0.5","","Wang, Lu; Yang, Guo-Ping; Yan, Yang-Tian; Jin, Jing; Ning, Yan; Wang, Yao-Yu","Solvent-induced diversity of luminescent metal‒organic frameworks based on different secondary building units","RSC Adv.","2017","7","73","46125","","10.1039/C7RA08188J","","","0.71073","MoKα","","0.1774","0.0796","","","0.2059","0.313","","","","","","1.244","","","","has coordinates,has disorder","201501","2020-10-21","18:00:00",""
"7229257","36.916","0.007","21.399","0.004","7.2173","0.0014","90","","98.129","0.004","90","","5644.1","1.9","296.15","","296.15","","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C42 H30 Cd3 O16 -","- C42 H30 Cd3 O16 -","- C168 H120 Cd12 O64 -","4","0.5","","Wang, Lu; Yang, Guo-Ping; Yan, Yang-Tian; Jin, Jing; Ning, Yan; Wang, Yao-Yu","Solvent-induced diversity of luminescent metal‒organic frameworks based on different secondary building units","RSC Adv.","2017","7","73","46125","","10.1039/C7RA08188J","","","0.71073","MoKα","","0.0898","0.058","","","0.1827","0.2294","","","","","","1.008","","","","has coordinates,has disorder","201501","2020-10-21","18:00:00",""
"7229258","7.079","0.004","11.288","0.006","13.13","0.007","65.42","0.008","83.016","0.008","85.505","0.009","946.6","0.9","296.15","","296.15","","","","","","","","","4","P -1","-P 1","2","","","","- C21 H14 Cd O7 -","- C21 H14 Cd O7 -","- C42 H28 Cd2 O14 -","2","1","","Wang, Lu; Yang, Guo-Ping; Yan, Yang-Tian; Jin, Jing; Ning, Yan; Wang, Yao-Yu","Solvent-induced diversity of luminescent metal‒organic frameworks based on different secondary building units","RSC Adv.","2017","7","73","46125","","10.1039/C7RA08188J","","","0.71073","MoKα","","0.0993","0.0744","","","0.2107","0.2995","","","","","","1.339","","","","has coordinates","201501","2020-10-21","18:00:00",""
"7229259","14.3729","0.0013","8.8781","0.0006","10.6958","0.0008","90","","103.755","0.008","90","","1325.69","0.19","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C6 H10 Cu2 N8 S2 -","- C6 H10 Cu2 N8 S2 -","- C24 H40 Cu8 N32 S8 -","4","1","","Tao, Ye; Li, You; Pang, Xuhong; Li, Haiye; Huang, Fu-Ping; Qin, Huangfei; Bian, He-Dong","Four CuI(ett) Coordination polymorphs and Changes in XRD Upon Hydrothermal Condition Optimization","CrystEngComm","2017","","","","","10.1039/C7CE01595J","","","0.7107","MoKα","","0.0397","0.0329","","","0.0856","0.09","","","","","","1.045","","","","has coordinates,has disorder","201540","2020-10-21","18:00:00",""
"7229260","8.8733","0.0006","6.4879","0.0002","10.8539","0.0009","90","","105.551","0.008","90","","601.97","0.07","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C3 H5 Cu N4 S -","- C3 H5 Cu N4 S -","- C12 H20 Cu4 N16 S4 -","4","1","","Tao, Ye; Li, You; Pang, Xuhong; Li, Haiye; Huang, Fu-Ping; Qin, Huangfei; Bian, He-Dong","Four CuI(ett) Coordination polymorphs and Changes in XRD Upon Hydrothermal Condition Optimization","CrystEngComm","2017","","","","","10.1039/C7CE01595J","","","0.7107","MoKα","","0.04","0.0312","","","0.06","0.0675","","","","","","1.057","","","","has coordinates","201540","2020-10-21","18:00:00",""
"7229261","10.8318","0.0005","6.4924","0.0003","17.1002","0.0007","90","","90","","90","","1202.56","0.09","293","2","293","2","","","","","","","","5","P c a 21","P 2c -2ac","29","","","","- C6 H10 Cu2 N8 S2 -","- C6 H10 Cu2 N8 S2 -","- C24 H40 Cu8 N32 S8 -","4","1","","Tao, Ye; Li, You; Pang, Xuhong; Li, Haiye; Huang, Fu-Ping; Qin, Huangfei; Bian, He-Dong","Four CuI(ett) Coordination polymorphs and Changes in XRD Upon Hydrothermal Condition Optimization","CrystEngComm","2017","","","","","10.1039/C7CE01595J","","","0.7107","MoKα","","0.048","0.0464","","","0.1118","0.1144","","","","","","1.084","","","","has coordinates","201540","2020-10-21","18:00:00",""
"7229262","9.5028","0.0003","10.7121","0.0004","11.9937","0.0004","90","","90","","90","","1220.9","0.07","293","2","293","2","","","","","","","","5","P n m a","-P 2ac 2n","62","","","","- C4.74 H6.84 Cu2 N8 S2 -","- C4.728 H6.82 Cu2 N8 S2 -","- C18.912 H27.28 Cu8 N32 S8 -","4","0.5","","Tao, Ye; Li, You; Pang, Xuhong; Li, Haiye; Huang, Fu-Ping; Qin, Huangfei; Bian, He-Dong","Four CuI(ett) Coordination polymorphs and Changes in XRD Upon Hydrothermal Condition Optimization","CrystEngComm","2017","","","","","10.1039/C7CE01595J","","","0.71073","MoKα","","0.0927","0.0875","","","0.2005","0.2028","","","","","","1.247","","","","has coordinates,has disorder","201540","2020-10-21","18:00:00",""
"7229263","4.247","0.003","16.287","0.012","24.172","0.015","90","","90","","90","","1672","2","296","2","296","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C22 H18 O2 -","- C22 H18 O2 -","- C88 H72 O8 -","4","1","","Zhang, Liang; Liu, Jie; Gao, Junkuo; Lu, Rong; Liu, Fang","Adjustment of the solid fluorescence of a chalcone derivative through controlling steric hindrance","RSC Adv.","2017","7","73","46354","","10.1039/C7RA09122B","","","0.71073","MoKα","","0.084","0.0476","","","0.1251","0.1455","","","","","","0.935","","","","has coordinates","201550","2020-10-21","18:00:00",""
"7229264","18.544","0.002","15.174","0.002","28.663","0.003","90","","90","","90","","8065.4","1.6","296","2","296","2","","","","","","","","3","P c a 21","P 2c -2ac","29","","","","- C28 H22 O2 -","- C28 H22 O2 -","- C448 H352 O32 -","16","4","","Zhang, Liang; Liu, Jie; Gao, Junkuo; Lu, Rong; Liu, Fang","Adjustment of the solid fluorescence of a chalcone derivative through controlling steric hindrance","RSC Adv.","2017","7","73","46354","","10.1039/C7RA09122B","","","0.71073","MoKα","","0.1442","0.0852","","","0.2181","0.2691","","","","","","0.974","","","","has coordinates","201550","2020-10-21","18:00:00",""
"7229265","4.497","0.0004","15.1154","0.0013","9.5745","0.0008","90","","92.781","0.002","90","","650.05","0.1","273","","273","","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- Cd2 O12 Se4 Sr2 -","- Cd2 O12 Se4 Sr2 -","- Cd4 O24 Se8 Sr4 -","2","0.5","","Jia, Ying-Jie; Chen, Yi-Gang; Yao, Xiao-Ni; Zhang, Xian-Ming","Alkali Earth MOx (x=6, 7, 9, 12) Polyhedra Tuned Cadmium Selenites with Different Dimensions and Diverse SeO32-Coordinations","CrystEngComm","2017","","","","","10.1039/C7CE01461A","","","0.71073","MoKα","","0.0433","0.0428","","","0.1161","0.1166","","","","","","1.176","","","","has coordinates","201573","2020-10-21","18:00:00",""
"7229266","8.2921","0.0018","8.4207","0.0019","9.514","0.002","86.019","0.005","64.762","0.004","78.498","0.005","588.7","0.2","298","","298","","","","","","","","","4","P -1","-P 1","2","","","","- Cd3 Mg O12 Se4 -","- Cd3 Mg O12 Se4 -","- Cd6 Mg2 O24 Se8 -","2","1","","Jia, Ying-Jie; Chen, Yi-Gang; Yao, Xiao-Ni; Zhang, Xian-Ming","Alkali Earth MOx (x=6, 7, 9, 12) Polyhedra Tuned Cadmium Selenites with Different Dimensions and Diverse SeO32-Coordinations","CrystEngComm","2017","","","","","10.1039/C7CE01461A","","","0.71073","MoKα","","0.0556","0.0487","","","0.1348","0.1412","","","","","","1.056","","","","has coordinates","201573","2020-10-21","18:00:00",""
"7229267","16.5983","0.0018","5.4518","0.0006","7.1154","0.0008","90","","90","","90","","643.88","0.12","273","","273","","","","","","","","","4","P n m a","-P 2ac 2n","62","","","","- Ba2 Cd2 O12 Se4 -","- Ba2 Cd2 O12 Se4 -","- Ba4 Cd4 O24 Se8 -","2","0.25","","Jia, Ying-Jie; Chen, Yi-Gang; Yao, Xiao-Ni; Zhang, Xian-Ming","Alkali Earth MOx (x=6, 7, 9, 12) Polyhedra Tuned Cadmium Selenites with Different Dimensions and Diverse SeO32-Coordinations","CrystEngComm","2017","","","","","10.1039/C7CE01461A","","","0.71073","MoKα","","0.0295","0.0294","","","0.0809","0.081","","","","","","1.135","","","","has coordinates","201573","2020-10-21","18:00:00",""
"7229268","8.4611","0.0005","12.1273","0.0007","9.4968","0.0005","90","","108.251","0.001","90","","925.45","0.09","293","2","293","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- Ca2.87 Cd9.13 O36 Se12 -","- Ca2.864 Cd9.136 O36 Se12 -","- Ca2.864 Cd9.136 O36 Se12 -","1","0.25","","Jia, Ying-Jie; Chen, Yi-Gang; Yao, Xiao-Ni; Zhang, Xian-Ming","Alkali Earth MOx (x=6, 7, 9, 12) Polyhedra Tuned Cadmium Selenites with Different Dimensions and Diverse SeO32-Coordinations","CrystEngComm","2017","","","","","10.1039/C7CE01461A","","","0.71073","MoKα","","0.0174","0.0172","","","0.04","0.0401","","","","","","1.092","","","","has coordinates,has disorder","201573","2020-10-21","18:00:00",""
"7229269","8.7484","0.0007","10.2091","0.0013","14.7961","0.0011","80.673","0.008","89.866","0.006","70.745","0.009","1229.2","0.2","173","10","173","0.1","","","","","","","","5","P -1","-P 1","2","","","","- C28 H23.07 N4 O6.53 Zn -","- C28 H23.537 N4 O6.537 Zn -","- C56 H47.074 N8 O13.074 Zn2 -","2","1","","Zou, Rui; Zhang, Jie; Hu, Shu-Zhi; Hu, Fei; Zhang, Haoyu; Fu, Zhiyong","Reversible mechanochromic and thermochromic luminescent switching via the hydrogen-bond-directed assemblies in a zinc coordination complex","CrystEngComm","2017","","","","","10.1039/C7CE01511A","","","0.71073","MoKα","","0.0607","0.0467","","","0.106","0.1253","","","","","","1.056","","","","has coordinates","201670","2020-10-21","18:00:00",""
"7229270","9.9822","0.0003","14.2046","0.0004","18.0644","0.0005","88.116","0.002","85.266","0.002","73.802","0.001","2451.21","0.12","170","","170","","","","","","","","","5","P -1","-P 1","2","","","","- C54 H38 Co2 N10 O14 -","- C54 H38 Co2 N10 O14 -","- C108 H76 Co4 N20 O28 -","2","1","","Meng, Xiangmin; Cui, Liansheng; Wang, Xingping; Zhang, Xiaoyin; Zhang, Xia; Bi, Shuang-Yu","Syntheses, structural diversity, magnetic properties and dyes absorption of various Co(II) MOFs based on a semi-flexible 4-(3,5-dicarboxylatobenzyloxy)benzoic acid†","CrystEngComm","2017","","","","","10.1039/C7CE01229B","","","0.71073","MoKα","","0.1035","0.0733","","","0.2228","0.2419","","","","","","1.059","","","","has coordinates","201671","2020-10-21","18:00:00",""
"7229271","9.8268","0.0009","13.2214","0.0012","14.1027","0.0013","90.29","0.002","104.858","0.002","108.809","0.002","1668.7","0.3","205","","205","","","","","","","","","5","P -1","-P 1","2","","","","- C72 H64 Co2 N14 O17 -","- C72 H64 Co2 N14 O17 -","- C72 H64 Co2 N14 O17 -","1","0.5","","Meng, Xiangmin; Cui, Liansheng; Wang, Xingping; Zhang, Xiaoyin; Zhang, Xia; Bi, Shuang-Yu","Syntheses, structural diversity, magnetic properties and dyes absorption of various Co(II) MOFs based on a semi-flexible 4-(3,5-dicarboxylatobenzyloxy)benzoic acid†","CrystEngComm","2017","","","","","10.1039/C7CE01229B","","","0.71073","MoKα","","0.0447","0.0386","","","0.1138","0.1193","","","","","","1.004","","","","has coordinates,has disorder","201671","2020-10-21","18:00:00",""
"7229272","10.8519","0.0004","12.0078","0.0004","16.0618","0.0006","72.122","0.002","88.959","0.002","71.729","0.002","1884.41","0.12","170","","170","","","","","","","","","5","P -1","-P 1","2","","","","- C86 H62 Co3 N12 O18 -","- C86 H62 Co3 N12 O18 -","- C86 H62 Co3 N12 O18 -","1","0.5","","Meng, Xiangmin; Cui, Liansheng; Wang, Xingping; Zhang, Xiaoyin; Zhang, Xia; Bi, Shuang-Yu","Syntheses, structural diversity, magnetic properties and dyes absorption of various Co(II) MOFs based on a semi-flexible 4-(3,5-dicarboxylatobenzyloxy)benzoic acid†","CrystEngComm","2017","","","","","10.1039/C7CE01229B","","","0.71073","MoKα","","0.0346","0.0307","","","0.0935","0.0964","","","","","","1.055","","","","has coordinates","201671","2020-10-21","18:00:00",""
"7229273","11.5476","0.0014","14.6312","0.0019","15.3494","0.0018","96.828","0.003","97.036","0.003","108.059","0.002","2413","0.5","205","","205","","","","","","","","","5","P -1","-P 1","2","","","","- C104 H92 Co3 N16 O26 -","- C104 H92 Co3 N16 O26 -","- C104 H92 Co3 N16 O26 -","1","0.5","","Meng, Xiangmin; Cui, Liansheng; Wang, Xingping; Zhang, Xiaoyin; Zhang, Xia; Bi, Shuang-Yu","Syntheses, structural diversity, magnetic properties and dyes absorption of various Co(II) MOFs based on a semi-flexible 4-(3,5-dicarboxylatobenzyloxy)benzoic acid†","CrystEngComm","2017","","","","","10.1039/C7CE01229B","","","0.71073","MoKα","","0.0776","0.0484","","","0.1279","0.1413","","","","","","0.991","","","","has coordinates","201671","2020-10-21","18:00:00",""
"7229274","14.315","0.002","12.4647","0.0017","18.515","0.003","90","","109.826","0.002","90","","3107.9","0.8","296.15","","296.15","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C33 H30 Co N4 O9 -","- C33 H30 Co N4 O9 -","- C132 H120 Co4 N16 O36 -","4","1","","Meng, Xiangmin; Cui, Liansheng; Wang, Xingping; Zhang, Xiaoyin; Zhang, Xia; Bi, Shuang-Yu","Syntheses, structural diversity, magnetic properties and dyes absorption of various Co(II) MOFs based on a semi-flexible 4-(3,5-dicarboxylatobenzyloxy)benzoic acid†","CrystEngComm","2017","","","","","10.1039/C7CE01229B","","","0.71073","MoKα","","0.0482","0.0398","","","0.1146","0.1215","","","","","","1.029","","","","has coordinates","201671","2020-10-21","18:00:00",""
"7229275","9.9954","0.0014","16.749","0.002","15.358","0.002","90","","107.444","0.002","90","","2452.9","0.6","296","2","296","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C17.89 H21.07 N2.3 O6.5 Zn -","- C17.879 H21.465 N2.293 O6.5 Zn -","- C71.516 H85.86 N9.172 O26 Zn4 -","4","2","","Liu, Jian-Qiang; Kumar, Abhinav; Li, Baohong; Prasad, Rajendra; Batten, Stuart R.; Wu, Jian; Jin, Juncheng; He, Yongxiang","A 3D luminescent Zn(II) MOF for the detection of high explosives and the degradation of organic dyes: an experimental and computational study","CrystEngComm","2017","","","","","10.1039/C7CE01341H","","","0.71073","MoKα","","0.1166","0.0629","","","0.1406","0.168","","","","","","0.951","","","","has coordinates,has disorder","201672","2020-10-21","18:00:00",""
"7229276","9.868","0.003","9.903","0.004","12.895","0.004","87.003","0.006","72.541","0.006","73.377","0.006","1151.1","0.7","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C24 H17 Eu N4 O6 -","- C24 H17 Eu N4 O6 -","- C48 H34 Eu2 N8 O12 -","2","1","","Zhou, Xia; Peng, Jun-Ling; Liu, Ze-Yu; Wen, Cai-Ying; Wang, Xing-Hao; Wu, Jian-Zhong; Ou, Yong-Cong","Tuning structure and Zn(II) sensing of lanthanide complexes with two phenylimidazophenanthrolines by acetonitrile hydrolysis","CrystEngComm","2017","","","","","10.1039/C7CE01576C","","","0.71073","MoKα","","0.0564","0.0432","","","0.088","0.0946","","","","","","0.981","","","","has coordinates","201673","2020-10-21","18:00:00",""
"7229277","9.8401","0.0015","10.4399","0.0016","13.681","0.002","92.681","0.002","110.976","0.002","109.933","0.002","1210.7","0.3","296","2","296","2","","","","","","","","5","P -1","-P 1","2","","","","- C50 H42 Eu2 N8 O12 -","- C50 H42 Eu2 N8 O12 -","- C50 H42 Eu2 N8 O12 -","1","0.5","","Zhou, Xia; Peng, Jun-Ling; Liu, Ze-Yu; Wen, Cai-Ying; Wang, Xing-Hao; Wu, Jian-Zhong; Ou, Yong-Cong","Tuning structure and Zn(II) sensing of lanthanide complexes with two phenylimidazophenanthrolines by acetonitrile hydrolysis","CrystEngComm","2017","","","","","10.1039/C7CE01576C","","","0.71073","MoKα","","0.0383","0.033","","","0.0804","0.0843","","","","","","1.064","","","","has coordinates","201673","2020-10-21","18:00:00",""
"7229278","9.78","0.002","10.418","0.002","13.614","0.004","73.167","0.006","68.983","0.004","69.942","0.004","1194.1","0.5","296","2","296","2","","","","","","","","5","P -1","-P 1","2","","","","- C50 H42 N8 O12 Tb2 -","- C50 H42 N8 O12 Tb2 -","- C50 H42 N8 O12 Tb2 -","1","0.5","","Zhou, Xia; Peng, Jun-Ling; Liu, Ze-Yu; Wen, Cai-Ying; Wang, Xing-Hao; Wu, Jian-Zhong; Ou, Yong-Cong","Tuning structure and Zn(II) sensing of lanthanide complexes with two phenylimidazophenanthrolines by acetonitrile hydrolysis","CrystEngComm","2017","","","","","10.1039/C7CE01576C","","","0.71073","MoKα","","0.0893","0.0544","","","0.1037","0.1194","","","","","","0.926","","","","has coordinates","201673","2020-10-21","18:00:00",""
"7229279","9.8152","0.0019","10.379","0.002","13.594","0.003","73.302","0.003","69.411","0.003","70.576","0.003","1199.6","0.4","296","2","296","2","","","","","","","","5","P -1","-P 1","2","","","","- C50 H42 Dy2 N8 O12 -","- C50 H42 Dy2 N8 O12 -","- C50 H42 Dy2 N8 O12 -","1","0.5","","Zhou, Xia; Peng, Jun-Ling; Liu, Ze-Yu; Wen, Cai-Ying; Wang, Xing-Hao; Wu, Jian-Zhong; Ou, Yong-Cong","Tuning structure and Zn(II) sensing of lanthanide complexes with two phenylimidazophenanthrolines by acetonitrile hydrolysis","CrystEngComm","2017","","","","","10.1039/C7CE01576C","","","0.71073","MoKα","","0.0539","0.0406","","","0.0882","0.0957","","","","","","0.998","","","","has coordinates","201673","2020-10-21","18:00:00",""
"7229280","9.8132","0.0017","10.4297","0.0019","13.608","0.002","92.386","0.003","110.825","0.002","110.486","0.003","1197.3","0.4","296","2","296","2","","","","","","","","5","P -1","-P 1","2","","","","- C50 H42 N8 O12 Sm2 -","- C50 H42 N8 O12 Sm2 -","- C50 H42 N8 O12 Sm2 -","1","0.5","","Zhou, Xia; Peng, Jun-Ling; Liu, Ze-Yu; Wen, Cai-Ying; Wang, Xing-Hao; Wu, Jian-Zhong; Ou, Yong-Cong","Tuning structure and Zn(II) sensing of lanthanide complexes with two phenylimidazophenanthrolines by acetonitrile hydrolysis","CrystEngComm","2017","","","","","10.1039/C7CE01576C","","","0.71073","MoKα","","0.0356","0.0328","","","0.0836","0.0865","","","","","","1.048","","","","has coordinates","201673","2020-10-21","18:00:00",""
"7229281","9.892","0.004","9.957","0.004","12.798","0.005","73.081","0.007","86.82","0.007","73.951","0.007","1158.5","0.8","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C24 H17 N4 O6 Sm -","- C24 H17 N4 O6 Sm -","- C48 H34 N8 O12 Sm2 -","2","1","","Zhou, Xia; Peng, Jun-Ling; Liu, Ze-Yu; Wen, Cai-Ying; Wang, Xing-Hao; Wu, Jian-Zhong; Ou, Yong-Cong","Tuning structure and Zn(II) sensing of lanthanide complexes with two phenylimidazophenanthrolines by acetonitrile hydrolysis","CrystEngComm","2017","","","","","10.1039/C7CE01576C","","","0.71073","MoKα","","0.0517","0.0387","","","0.0822","0.0893","","","","","","1.032","","","","has coordinates","201673","2020-10-21","18:00:00",""
"7229282","3.796","0.0003","18.3816","0.0013","13.3342","0.001","90","","90.367","0.005","90","","930.4","0.12","200","2","200","2","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","","","- C12 H8 O4 -","- C12 H8 O4 -","- C48 H32 O16 -","4","1","","Chen, Yi-Ting; Wu, Pei-Jhen; Peng, Chia-Yu; Shen, Jiun-Yi; Tsai, Cheng-Cheng; Hu, Wei-Ping; Chou, Pi-Tai","A Study of Competitive Multiple Hydrogen Bonding Effect and Its Associated Excited-State Proton Transfer Tautomerism","Phys. Chem. Chem. Phys.","2017","","","","","10.1039/C7CP05002J","","","0.71073","MoKα","","0.1107","0.074","","","0.2515","0.2722","","","","","","1.105","","","","has coordinates","201690","2020-10-21","18:00:00",""
"7229283","8.1098","0.0006","10.3956","0.001","11.5","0.0016","88.824","0.01","77.369","0.01","87.304","0.007","944.96","0.18","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C23 H15 Cl N2 O2 -","- C23 H15 Cl N2 O2 -","- C46 H30 Cl2 N4 O4 -","2","1","","Fu, Ying; Wang, Meng-Xia; Zhang, Dong; Hou, Yu-Wen; Gao, Shuang; Zhao, Li-Xia; Ye, Fei","Design, synthesis, and herbicidal activity of pyrazole benzophenone derivatives","RSC Adv.","2017","7","74","46858","","10.1039/C7RA09858H","","","0.71073","MoKα","","0.1406","0.1277","","","0.3374","0.3431","","","","","","1.109","","","","has coordinates","201692","2020-10-21","18:00:00",""
"7229284","9.2568","0.0004","10.0256","0.0004","11.047","0.0005","88.389","0.003","88.878","0.002","66.498","0.002","939.76","0.07","200","2","200","2","","","","","","","","3","P -1","-P 1","2","","","","- C25 H17 N -","- C25 H17 N -","- C50 H34 N2 -","2","1","","Bandi, Vijayalakshmi; Kavala, Veerababurao; Hsu, Che-Hao; Konala, Ashok; Villuri, Bharath Kumar; Kotipalli, Trimurtulu; Kuo, Chun-Wei; Yao, Ching-Fa","Synthesis of functionalized unsymmetrical 1,3-butadiene-3-yne derivatives from β-halo styrene derivatives and their application in the synthesis of trisubstituted pyridines","RSC Adv.","2017","7","74","46704","","10.1039/C7RA07128K","","","0.71073","MoKα","","0.0575","0.0476","","","0.1294","0.1463","","","","","","1.088","","","","has coordinates","201693","2020-10-21","18:00:00",""
"7229285","13.773","0.003","7.1192","0.0014","19.135","0.004","90","","96.972","0.004","90","","1862.4","0.7","200","2","200","2","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","","","- C25 H17 N -","- C25 H17 N -","- C100 H68 N4 -","4","1","","Bandi, Vijayalakshmi; Kavala, Veerababurao; Hsu, Che-Hao; Konala, Ashok; Villuri, Bharath Kumar; Kotipalli, Trimurtulu; Kuo, Chun-Wei; Yao, Ching-Fa","Synthesis of functionalized unsymmetrical 1,3-butadiene-3-yne derivatives from β-halo styrene derivatives and their application in the synthesis of trisubstituted pyridines","RSC Adv.","2017","7","74","46704","","10.1039/C7RA07128K","","","0.71073","MoKα","","0.0938","0.046","","","0.0958","0.1114","","","","","","0.989","","","","has coordinates","201693","2020-10-21","18:00:00",""
"7229286","10.3643","0.0011","12.1725","0.0013","14.7261","0.0016","90","","97.592","0.004","90","","1841.6","0.3","200","2","200","2","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","","","- C25 H18 O -","- C25 H18 O -","- C100 H72 O4 -","4","1","","Bandi, Vijayalakshmi; Kavala, Veerababurao; Hsu, Che-Hao; Konala, Ashok; Villuri, Bharath Kumar; Kotipalli, Trimurtulu; Kuo, Chun-Wei; Yao, Ching-Fa","Synthesis of functionalized unsymmetrical 1,3-butadiene-3-yne derivatives from β-halo styrene derivatives and their application in the synthesis of trisubstituted pyridines","RSC Adv.","2017","7","74","46704","","10.1039/C7RA07128K","","","0.71073","MoKα","","0.0736","0.0512","","","0.1279","0.1521","","","","","","1.076","","","","has coordinates","201693","2020-10-21","18:00:00",""
"7229287","12.48","0.003","5.9054","0.0012","27.814","0.01","90","","94.72","0.018","90","","2042.9","1","200","2","200","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C26 H20 O2 -","- C26 H20 O2 -","- C104 H80 O8 -","4","1","","Bandi, Vijayalakshmi; Kavala, Veerababurao; Hsu, Che-Hao; Konala, Ashok; Villuri, Bharath Kumar; Kotipalli, Trimurtulu; Kuo, Chun-Wei; Yao, Ching-Fa","Synthesis of functionalized unsymmetrical 1,3-butadiene-3-yne derivatives from β-halo styrene derivatives and their application in the synthesis of trisubstituted pyridines","RSC Adv.","2017","7","74","46704","","10.1039/C7RA07128K","","","0.71073","MoKα","","0.2411","0.1106","","","0.1654","0.2084","","","","","","1.029","","","","has coordinates","201693","2020-10-21","18:00:00",""
"7229288","22.492","0.003","3.945","0.0005","20.893","0.003","90","","112.82","0.009","90","","1708.8","0.4","200","2","200","2","","","","","","","","3","P 1 2/c 1","-P 2yc","13","","","","- C25 H17 N -","- C25 H17 N -","- C100 H68 N4 -","4","1","","Bandi, Vijayalakshmi; Kavala, Veerababurao; Hsu, Che-Hao; Konala, Ashok; Villuri, Bharath Kumar; Kotipalli, Trimurtulu; Kuo, Chun-Wei; Yao, Ching-Fa","Synthesis of functionalized unsymmetrical 1,3-butadiene-3-yne derivatives from β-halo styrene derivatives and their application in the synthesis of trisubstituted pyridines","RSC Adv.","2017","7","74","46704","","10.1039/C7RA07128K","","","0.71073","MoKα","","0.1852","0.0943","","","0.2358","0.2966","","","","","","1.043","","","","has coordinates,has disorder","201693","2020-10-21","18:00:00",""
"7229289","11.9159","0.0016","11.9873","0.0017","15.626","0.002","75.842","0.002","89.055","0.002","65.212","0.002","1955.4","0.5","296","2","296","2","","","","","","","","4","P -1","-P 1","2","","","","- C42 H45 N5 O6 -","- C42 H45 N5 O6 -","- C84 H90 N10 O12 -","2","1","","Pei, Peng-Xiang; Hu, Jing-Han; Ni, Peng-Wei; Long, Chen; Su, Jun-Xia; Sun, You","A novel dual-channel chemosensor for CN− based on rhodamine B hydrazide derivatives and its application in bitter almond","RSC Adv.","2017","7","74","46832","","10.1039/C7RA09174E","","","0.71073","MoKα","","0.0869","0.0587","","","0.1492","0.1641","","","","","","1","","","","has coordinates","201694","2020-10-21","18:00:00",""
"7229290","5.4184","0.0003","9.8683","0.001","54.655","0.004","90","","90","","90","","2922.4","0.4","291","2","291","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C30 H19 F17 O2 -","- C30 H19 F17 O2 -","- C120 H76 F68 O8 -","4","1","","Qian, Zongzheng; Deng, Weiting; Zhang, Xuepeng; Miao, Hui; Zhang, Guoqing","How side-chain substituents and substrates influence mechanochromic luminescence: case study with pyrene","RSC Adv.","2017","7","74","46721","","10.1039/C7RA09453A","","","1.54184","CuKα","","0.1212","0.1107","","","0.2368","0.2431","","","","","","1.076","","","","has coordinates,has disorder","201695","2020-10-21","18:00:00",""
"7229291","5.86059","0.00007","12.67519","0.00017","15.73654","0.00019","90","","94.4504","0.0011","90","","1165.45","0.03","100","","100","","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C27 H33 Br O3 -","- C27 H33 Br O3 -","- C54 H66 Br2 O6 -","2","1","","Liu, Shao-Nan; Hu, Jiayuan; Tan, Shen H.; Wang, Qian; Xu, Jun; Wang, Yan; Yuan, Yan; Gu, Qiong","ent-Rosane diterpenoids from Euphorbia milii showing an Epstein–Barr virus lytic replication assay","RSC Adv.","2017","7","74","46938","","10.1039/C7RA08877A","","x-ray","1.54184","CuKα","","0.0259","0.0257","","","0.0704","0.0705","","","","","","1.035","","","","has coordinates","278046","2022-09-21","15:45:42",""
"7229292","50.582","0.012","9.149","0.002","17.832","0.004","90","","104.312","0.007","90","","7996","3","296","2","296","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C50 H43 N3 Pt -","- C50 H43 N3 Pt -","- C400 H344 N24 Pt8 -","8","1","","Bi, Dongqin; Feng, Yuquan; Zhao, Qian; Wang, Hongwei; Zhu, Yongsheng; Bao, Xiaoyu; Fan, Huitao; Yu, Lintao; Yang, Qichao; Qiu, Dongfang","Synthesis, crystal structure, photophysical property and metal ion-binding behavior of a cyclometalated platinum(ii) terpyridylacetylide with efficient π-conjugation degree","RSC Adv.","2017","7","74","46980","","10.1039/C7RA09423J","","","0.71073","MoKα","","0.049","0.0337","","","0.0957","0.1054","","","","","","1.091","","","","has coordinates","201805","2020-10-21","18:00:00",""
"7229293","9.7741","0.0019","44.237","0.008","11.821","0.002","90","","99.749","0.004","90","","5037.3","1.6","296","2","296","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C65 H52 N6 Pt -","- C65 H52 N6 Pt -","- C260 H208 N24 Pt4 -","4","1","","Bi, Dongqin; Feng, Yuquan; Zhao, Qian; Wang, Hongwei; Zhu, Yongsheng; Bao, Xiaoyu; Fan, Huitao; Yu, Lintao; Yang, Qichao; Qiu, Dongfang","Synthesis, crystal structure, photophysical property and metal ion-binding behavior of a cyclometalated platinum(ii) terpyridylacetylide with efficient π-conjugation degree","RSC Adv.","2017","7","74","46980","","10.1039/C7RA09423J","","","0.71073","MoKα","","0.0783","0.0529","","","0.1193","0.1282","","","","","","1.046","","","","has coordinates","201805","2020-10-21","18:00:00",""
"7229294","11.66","0.004","11.794","0.003","11.944","0.003","102.39","0.02","115.41","0.03","107.53","0.03","1297.1","0.9","293","2","293","2","","","","","","","","2","P -1","-P 1","2","","","","- C70 H62 -","- C70 H62 -","- C70 H62 -","1","0.5","","Hempe, M.; Reggelin, M.","Molecular packing and morphological stability of dihydro-indeno[1,2-b]fluorenes in the context of their substitution pattern","RSC Adv.","2017","7","75","47183","","10.1039/C7RA09401A","","","0.71073","MoKα","","0.2161","0.1147","","","0.2738","0.3353","","","","","","1.037","","","","has coordinates,has disorder","201850","2020-10-21","18:00:00",""
"7229295","9.35","0.003","13.93","0.004","19.084","0.004","109.98","0.03","91.28","0.02","98.95","0.02","2299.9","1.2","293","2","293","2","","","","","","","","2","P -1","-P 1","2","","","","- C36 H46 -","- C36 H46 -","- C108 H138 -","3","1.5","","Hempe, M.; Reggelin, M.","Molecular packing and morphological stability of dihydro-indeno[1,2-b]fluorenes in the context of their substitution pattern","RSC Adv.","2017","7","75","47183","","10.1039/C7RA09401A","","","0.71073","MoKα","","0.1536","0.0769","","","0.1227","0.1582","","","","","","0.859","","","","has coordinates","201850","2020-10-21","18:00:00",""
"7229296","15.416","0.002","20.078","0.002","12.162","0.002","90","","118.63","0.02","90","","3304.1","1","293","2","293","2","","","","","","","","2","C 1 c 1","C -2yc","9","","","","- C42 H42 -","- C42 H42 -","- C168 H168 -","4","1","","Hempe, M.; Reggelin, M.","Molecular packing and morphological stability of dihydro-indeno[1,2-b]fluorenes in the context of their substitution pattern","RSC Adv.","2017","7","75","47183","","10.1039/C7RA09401A","","","0.71073","MoKα","","0.0766","0.0478","","","0.0957","0.1092","","","","","","1.085","","","","has coordinates","201850","2020-10-21","18:00:00",""
"7229297","6.7189","0.0008","13.926","0.001","19.061","0.002","90","","90","","90","","1783.5","0.3","293","2","293","2","","","","","","","","2","P b c a","-P 2ac 2ab","61","","","","- C24 H22 -","- C24 H22 -","- C96 H88 -","4","0.5","","Hempe, M.; Reggelin, M.","Molecular packing and morphological stability of dihydro-indeno[1,2-b]fluorenes in the context of their substitution pattern","RSC Adv.","2017","7","75","47183","","10.1039/C7RA09401A","","","0.71073","MoKα","","0.103","0.0691","","","0.1233","0.1371","","","","","","1.32","","","","has coordinates","201850","2020-10-21","18:00:00",""
"7229298","8.502","0.001","10.722","0.002","14.069","0.002","82.38","0.02","73.88","0.02","75.3","0.02","1189.1","0.3","293","2","293","2","","","","","","","","2","P -1","-P 1","2","","","","- C52 H78 -","- C52 H78 -","- C52 H78 -","1","0.5","","Hempe, M.; Reggelin, M.","Molecular packing and morphological stability of dihydro-indeno[1,2-b]fluorenes in the context of their substitution pattern","RSC Adv.","2017","7","75","47183","","10.1039/C7RA09401A","","","0.71073","MoKα","","0.2632","0.1538","","","0.2016","0.2368","","","","","","1.273","","","","has coordinates","201850","2020-10-21","18:00:00",""
"7229299","8.453","0.001","10.868","0.001","11.903","0.002","92.85","0.01","108.07","0.01","104.44","0.01","997.1","0.2","293","2","293","2","","","","","","","","2","P -1","-P 1","2","","","","- C44 H62 -","- C44 H62 -","- C44 H62 -","1","0.5","","Hempe, M.; Reggelin, M.","Molecular packing and morphological stability of dihydro-indeno[1,2-b]fluorenes in the context of their substitution pattern","RSC Adv.","2017","7","75","47183","","10.1039/C7RA09401A","","","0.71073","MoKα","","0.0965","0.0608","","","0.1356","0.1579","","","","","","1.113","","","","has coordinates","201850","2020-10-21","18:00:00",""
"7229300","43.677","0.002","43.677","0.002","12.14","0.001","90","","90","","120","","20056","2","293","2","293","2","","","","","","","","3","R -3 :H","-R 3","148","","","","- C312 H372 O -","- C312 H372 O -","- C936 H1116 O3 -","3","0.166667","","Hempe, M.; Reggelin, M.","Molecular packing and morphological stability of dihydro-indeno[1,2-b]fluorenes in the context of their substitution pattern","RSC Adv.","2017","7","75","47183","","10.1039/C7RA09401A","","","0.71073","MoKα","","0.1763","0.091","","","0.2535","0.318","","","","","","0.99","","","","has coordinates,has disorder","201850","2020-10-21","18:00:00",""
"7229301","24.6","0.002","33.412","0.003","18.478","0.002","90","","90","","90","","15188","2","293","2","293","2","","","","","","","","5","C m c 21","C 2c -2","36","HHU-3","HHU-3","","- C66 H33 Cu6 N3 O30 -","- C66 H33 Cu6 N3 O30 -","- C264 H132 Cu24 N12 O120 -","4","0.5","","Lu, Zhiyong; Xing, Yue; Du, Liting; He, Haiyan; Zhang, Jianfeng; Hang, Cheng","Isostructural functionalization by ‒OH and ‒NH2: different contributions to CO2 adsorption","RSC Adv.","2017","7","75","47219","","10.1039/C7RA10369G","","","0.71073","MoKα","","0.104","0.0604","","","0.1201","0.1309","","","","","","0.898","","","","has coordinates","201851","2020-10-21","18:00:00",""
"7229302","24.6748","0.0011","33.5109","0.0015","18.4547","0.0011","90","","90","","90","","15259.7","1.3","140","2","140","2","","","","","","","","4","C m c m","-C 2c 2","63","HHU-4","HHU-4","","- C66 H30 Cu6 O33 -","- C66 H30 Cu6 O33 -","- C264 H120 Cu24 O132 -","4","0.25","","Lu, Zhiyong; Xing, Yue; Du, Liting; He, Haiyan; Zhang, Jianfeng; Hang, Cheng","Isostructural functionalization by ‒OH and ‒NH2: different contributions to CO2 adsorption","RSC Adv.","2017","7","75","47219","","10.1039/C7RA10369G","","","0.71073","MoKα","","0.15","0.0751","","","0.1828","0.2111","","","","","","1.021","","","","has coordinates,has disorder","201851","2020-10-21","18:00:00",""
"7229303","6.967","0.0014","10.922","0.002","15.965","0.003","89.68","0.03","87.94","0.03","78.03","0.03","1187.6","0.4","243","2","243","2","","","","","","","","5","P -1","-P 1","2","","Bis-4-methoxy triphenylamine-dicyanophenyl","","- C54 H50 N4 O4 S2 -","- C54 H50 N4 O4 S2 -","- C54 H50 N4 O4 S2 -","1","0.5","","Kundu, Anu; Karthikeyan, Subramanian; Moon, Dohyun; Anthony, Philip Philip","Self-reversible thermofluorochromism of D-A-D triphenylamine derivatives and effect of molecular conformation and packing","CrystEngComm","2017","","","","","10.1039/C7CE01538K","","","0.61","synchrotron","","0.1209","0.055","","","0.1352","0.1586","","","","","","0.854","","","","has coordinates,has disorder","201871","2020-10-21","18:00:00",""
"7229304","9.743","0.0019","8.591","0.0017","48.988","0.01","90","","93.39","0.03","90","","4093.2","1.4","100","2","100","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","Bis-3-methoxy triphenylamine-dicyanophenyl","","- C107 H84 N8 O4 -","- C107 H84 N8 O4 -","- C214 H168 N16 O8 -","2","0.5","","Kundu, Anu; Karthikeyan, Subramanian; Moon, Dohyun; Anthony, Philip Philip","Self-reversible thermofluorochromism of D-A-D triphenylamine derivatives and effect of molecular conformation and packing","CrystEngComm","2017","","","","","10.1039/C7CE01538K","","","0.63","synchrotron","","0.0602","0.0482","","","0.1334","0.1415","","","","","","1.073","","","","has coordinates,has disorder","201871","2020-10-21","18:00:00",""
"7229305","12.4459","0.0005","13.8185","0.0005","25.2852","0.001","82.073","0.001","81.87","0.001","75.4","0.001","4142.1","0.3","185","2","185","2","","","","","","","","5","P -1","-P 1","2","","","","- C64 H92 Dy6 N12 O29 -","- C64 H92 Dy6 N12 O29 -","- C128 H184 Dy12 N24 O58 -","2","1","","Lin, Shuang-Yan; Wu, Jianfeng; Xu, Zhikun","The effect of additional methyl on the magnetic relaxation and toroidal moment of Dy6 complex","RSC Adv.","2017","7","75","47520","","10.1039/C7RA09619D","","","0.71073","MoKα","","0.075","0.0455","","","0.1085","0.1271","","","","","","1.006","","","","has coordinates","201885","2020-10-21","18:00:00",""
"7229306","18.6094","0.0011","17.218","0.001","25.339","0.0014","90","","92.634","0.001","90","","8110.5","0.8","185","2","185","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C70 H94 N8 O23 Sm6 -","- C70 H94 N8 O23 Sm6 -","- C280 H376 N32 O92 Sm24 -","4","0.5","","Lin, Shuang-Yan; Wu, Jianfeng; Xu, Zhikun","The effect of additional methyl on the magnetic relaxation and toroidal moment of Dy6 complex","RSC Adv.","2017","7","75","47520","","10.1039/C7RA09619D","","","0.71073","MoKα","","0.0887","0.0495","","","0.1146","0.1394","","","","","","1.008","","","","has coordinates","201885","2020-10-21","18:00:00",""
"7229307","10.106","0.002","14.511","0.003","12.224","0.002","90","","99.64","0.03","90","","1767.3","0.6","100","2","100","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","4-(diphenylamino)-2-propoxybenzaldehyde","","- C22 H21 N O2 -","- C22 H21 N O2 -","- C88 H84 N4 O8 -","4","1","","Hariharan, P. S.; Moon, Dohyun; Anthony, Philip Philip","Crystallization induced reversible fluorescence switching and alkyl chain length dependent thermally stable supercooled organic fluorescent liquid","CrystEngComm","2017","","","","","10.1039/C7CE01650F","","","0.61","synchrotron","","0.0617","0.049","","","0.1319","0.1374","","","","","","1.071","","","","has coordinates","201903","2020-10-21","18:00:00",""
"7229308","9.937","0.002","9.974","0.002","19.734","0.004","90","","92.93","0.03","90","","1953.3","0.7","100","2","100","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","4-(diphenylamino)-2-ppentyloxybenzaldehyde","","- C24 H25 N O2 -","- C24 H25 N O2 -","- C96 H100 N4 O8 -","4","1","","Hariharan, P. S.; Moon, Dohyun; Anthony, Philip Philip","Crystallization induced reversible fluorescence switching and alkyl chain length dependent thermally stable supercooled organic fluorescent liquid","CrystEngComm","2017","","","","","10.1039/C7CE01650F","","","0.61","synchrotron","","0.0736","0.0503","","","0.1328","0.1435","","","","","","1.015","","","","has coordinates,has disorder","201903","2020-10-21","18:00:00",""
"7229309","9.419","0.0019","10.485","0.002","19.426","0.004","90","","91.6","0.03","90","","1917.7","0.7","100","2","100","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","4-(diphenylamino)-2-butyloxybenzaldehyde","","- C23 H23 N O2 -","- C23 H23 N O2 -","- C92 H92 N4 O8 -","4","1","","Hariharan, P. S.; Moon, Dohyun; Anthony, Philip Philip","Crystallization induced reversible fluorescence switching and alkyl chain length dependent thermally stable supercooled organic fluorescent liquid","CrystEngComm","2017","","","","","10.1039/C7CE01650F","","","0.61","synchrotron","","0.07","0.051","","","0.1432","0.1523","","","","","","1.083","","","","has coordinates","201903","2020-10-21","18:00:00",""
"7229310","11.609","0.002","9.118","0.0018","20.524","0.004","90","","101.51","0.03","90","","2128.8","0.7","301","2","301","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","7-(5-(diphenylamino)-2-formylphenoxy)heptanenitrile","","- C25 H24 N2 O2 -","- C25 H24 N2 O2 -","- C100 H96 N8 O8 -","4","1","","Hariharan, P. S.; Moon, Dohyun; Anthony, Philip Philip","Crystallization induced reversible fluorescence switching and alkyl chain length dependent thermally stable supercooled organic fluorescent liquid","CrystEngComm","2017","","","","","10.1039/C7CE01650F","","","0.7","synchrotron","","0.1673","0.0666","","","0.1723","0.2277","","","","","","0.915","","","","has coordinates,has disorder","201903","2020-10-21","18:00:00",""
"7229311","10.565","0.002","9.822","0.002","20.676","0.004","90","","92.89","0.03","90","","2142.8","0.7","300","2","300","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","4-(diphenylamino)-2-hexyloxybenzaldehyde","","- C25 H25 N O2 -","- C25 H25 N O2 -","- C100 H100 N4 O8 -","4","1","","Hariharan, P. S.; Moon, Dohyun; Anthony, Philip Philip","Crystallization induced reversible fluorescence switching and alkyl chain length dependent thermally stable supercooled organic fluorescent liquid","CrystEngComm","2017","","","","","10.1039/C7CE01650F","","","0.7","synchrotron","","0.1575","0.0665","","","0.1774","0.2149","","","","","","0.824","","","","has coordinates,has disorder","201903","2020-10-21","18:00:00",""
"7229312","9.254","0.0019","10.441","0.002","16.144","0.003","90","","97.15","0.03","90","","1547.7","0.5","100","2","100","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","4-(diphenylamino)-2-methoxybenzaldehyde","","- C20 H17 N O2 -","- C20 H17 N O2 -","- C80 H68 N4 O8 -","4","1","","Hariharan, P. S.; Moon, Dohyun; Anthony, Philip Philip","Crystallization induced reversible fluorescence switching and alkyl chain length dependent thermally stable supercooled organic fluorescent liquid","CrystEngComm","2017","","","","","10.1039/C7CE01650F","","","0.60999","synchrotron","","0.0442","0.0396","","","0.1099","0.1135","","","","","","1.058","","","","has coordinates","201903","2020-10-21","18:00:00",""
"7229313","7.737","0.0015","15.936","0.003","14.484","0.003","90","","103.11","0.03","90","","1739.3","0.6","100","2","100","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","4-(diphenylamino)-2-ethoxybenzaldehyde","","- C21 H19 N O2 -","- C21 H19 N O2 -","- C84 H76 N4 O8 -","4","1","","Hariharan, P. S.; Moon, Dohyun; Anthony, Philip Philip","Crystallization induced reversible fluorescence switching and alkyl chain length dependent thermally stable supercooled organic fluorescent liquid","CrystEngComm","2017","","","","","10.1039/C7CE01650F","","","0.7","synchrotron","","0.0804","0.0504","","","0.1316","0.1453","","","","","","0.983","","","","has coordinates","201903","2020-10-21","18:00:00",""
"7229314","11.7743","0.0005","13.6012","0.0006","17.7276","0.0007","110.01","0.001","90.392","0.001","111.56","0.001","2452.24","0.18","","","","","","","","","","","","5","P -1","-P 1","2","","","","- C60 H38 N4 O40 Zn7 -","- C60 H38.414 N4 O40 Zn7 -","- C60 H38.414 N4 O40 Zn7 -","1","0.5","","zhang, dechun; li, xia","A Zn(II) Complex with Large Channels based on 3'-Nitro-Biphenyl-3,5,4'-Tricarboxylic Acid: Synthesis, Crystal Structure, Fluorescent Sensing of ATP, ADP, GTP, and UTP in Aqueous Solution and Drug Delivery","CrystEngComm","2017","","","","","10.1039/C7CE01618B","","","","","","0.098","","","","","","","","","","","","","","","has coordinates","201936","2020-10-21","18:00:00",""
"7229315","18.7697","0.0004","4.8938","0.0001","22.9053","0.0005","90","","92.86","0.002","90","","2101.35","0.08","295","2","295","2","","","","","","","","4","C 1 2 1","C 2y","5","","","","- C21 H20 N2 O8 -","- C21 H20 N2 O8 -","- C84 H80 N8 O32 -","4","1","","Zhu, Meilin; Yang, Zhen; Feng, Huimin; Gan, Qi; Che, Qian; Zhu, Tianjiao; Gu, Qianqun; Han, Bingnan; Li, Dehai","Trichodermamides D‒F, heterocyclic dipeptides with a highly functionalized 1,2-oxazadecaline core isolated from the endophytic fungus Penicillium janthinellum HDN13-309","RSC Adv.","2017","7","76","48019","","10.1039/C7RA10389A","","","1.54184","CuKα","","0.0475","0.0459","","","0.1267","0.1292","","","","","","1.04","","","","has coordinates,has disorder","201969","2020-10-21","18:00:00",""
"7229316","8.2353","0.0004","8.2353","0.0004","13.7385","0.0013","90","","90","","120","","806.92","0.09","296","2","296","2","","","","","","","","6","P -3 1 c","-P 3 2c","163","","","","- C8 H14 Cr Fe N O12 -","- C8.0004 H14.0016 Cr Fe N1.0002 O12 -","- C16.0008 H28.0032 Cr2 Fe2 N2.0004 O24 -","2","0.166667","","Yang, Li; Li, Jing; Pu, Tian-Cheng; Kong, Ming; Zhang, Jing; Song, You","Study of the relationship between magnetic field and dielectric properties in two ferromagnetic complexes","RSC Adv.","2017","7","76","47913","","10.1039/C7RA08695D","","","0.71073","MoKα","","0.0246","0.023","","","0.0612","0.0619","","","","","","1.167","","","","has coordinates,has disorder","201970","2020-10-21","18:00:00",""
"7229317","8.1651","0.0003","8.1651","0.0003","13.5314","0.001","90","","90","","120","","781.26","0.07","296","2","296","2","","","","","","","","6","P -3 1 c","-P 3 2c","163","","","","- C8 H14 Cr N Ni O12 -","- C8.0004 H14.0016 Cr N1.0002 Ni O12 -","- C16.0008 H28.0032 Cr2 N2.0004 Ni2 O24 -","2","0.166667","","Yang, Li; Li, Jing; Pu, Tian-Cheng; Kong, Ming; Zhang, Jing; Song, You","Study of the relationship between magnetic field and dielectric properties in two ferromagnetic complexes","RSC Adv.","2017","7","76","47913","","10.1039/C7RA08695D","","","0.71073","MoKα","","0.033","0.0285","","","0.0643","0.0658","","","","","","1.155","","","","has coordinates,has disorder","201970","2020-10-21","18:00:00",""
"7229318","12.79","0.005","14.351","0.005","15.034","0.005","109.079","0.005","91.48","0.005","114.551","0.005","2329.8","1.5","293","2","293","2","","","","","","","","6","P -1","-P 1","2","","","","- C88 H100 Cl9 Cu4 N12 O24 -","- C88 H100 Cl9 Cu4 N12 O24 -","- C88 H100 Cl9 Cu4 N12 O24 -","1","0.5","","Usman, Mohammad; Arjmand, Farukh; Khan, Rais Ahmad; Alsalme, Ali; Ahmad, Musheer; Tabassum, Sartaj","Biological evaluation of dinuclear copper complex/dichloroacetic acid cocrystal against human breast cancer: design, synthesis, characterization, DFT studies and cytotoxicity assays","RSC Adv.","2017","7","76","47920","","10.1039/C7RA08262B","","","0.71073","MoKα","","0.0898","0.0829","","","0.2178","0.2229","","","","","","1.079","","","","has coordinates","201971","2020-10-21","18:00:00",""
"7229319","14.6914","0.0005","8.1203","0.0003","16.3822","0.0005","90","","108.381","0.001","90","","1854.66","0.11","150","2","150","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C18 H6 Cl4 O2 S3 -","- C18 H6 Cl4 O2 S3 -","- C72 H24 Cl16 O8 S12 -","4","1","","Qin, Qian; Mague, Joel T.; Moses, Khadija Z.; Carnicom, Elizabeth M.; Cava, Robert J.","Structure and Characterization of Charge Transfer Complexes of Benzo[1,2-b:3,4-b’:5,6-b”]trithiophene [C3h-BTT]","CrystEngComm","2017","","","","","10.1039/C7CE01471F","","","1.54178","CuKα","","0.0404","0.0389","","","0.1043","0.1057","","","","","","1.065","","","","has coordinates","202010","2020-10-21","18:00:00",""
"7229320","11.0658","0.0003","11.3445","0.0003","11.9815","0.0003","67.768","0.001","73.706","0.001","88.504","0.001","1330.94","0.06","150","2","150","2","","","","","","","","4","P -1","-P 1","2","","","","- C31 H18 N4 S3 -","- C31 H18 N4 S3 -","- C62 H36 N8 S6 -","2","1","","Qin, Qian; Mague, Joel T.; Moses, Khadija Z.; Carnicom, Elizabeth M.; Cava, Robert J.","Structure and Characterization of Charge Transfer Complexes of Benzo[1,2-b:3,4-b’:5,6-b”]trithiophene [C3h-BTT]","CrystEngComm","2017","","","","","10.1039/C7CE01471F","","","1.54178","CuKα","","0.0782","0.0651","","","0.163","0.1763","","","","","","1.049","","","","has coordinates","202010","2020-10-21","18:00:00",""
"7229321","18.6662","0.0005","15.1927","0.0004","9.3307","0.0003","90","","90.403","0.001","90","","2646.03","0.13","150","2","150","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C15 H6 F2 O S3 -","- C15 H6 F2 O S3 -","- C120 H48 F16 O8 S24 -","8","1","","Qin, Qian; Mague, Joel T.; Moses, Khadija Z.; Carnicom, Elizabeth M.; Cava, Robert J.","Structure and Characterization of Charge Transfer Complexes of Benzo[1,2-b:3,4-b’:5,6-b”]trithiophene [C3h-BTT]","CrystEngComm","2017","","","","","10.1039/C7CE01471F","","","1.54178","CuKα","","0.0326","0.0318","","","0.0832","0.084","","","","","","1.081","","","","has coordinates,has disorder","202010","2020-10-21","18:00:00",""
"7229322","8.827","0.0003","10.6251","0.0004","16.8178","0.0007","90","","94.973","0.002","90","","1571.37","0.1","150","2","150","2","","","","","","","","5","P 1 n 1","P -2yac","7","","","","- C36 H12 F4 N4 S6 -","- C36 H12 F4 N4 S6 -","- C72 H24 F8 N8 S12 -","2","1","","Qin, Qian; Mague, Joel T.; Moses, Khadija Z.; Carnicom, Elizabeth M.; Cava, Robert J.","Structure and Characterization of Charge Transfer Complexes of Benzo[1,2-b:3,4-b’:5,6-b”]trithiophene [C3h-BTT]","CrystEngComm","2017","","","","","10.1039/C7CE01471F","","","1.54178","CuKα","","0.0899","0.0795","","","0.1869","0.1959","","","","","","1.079","","","","has coordinates,has disorder","202010","2020-10-21","18:00:00",""
"7229323","10.11","0.005","10.271","0.006","15.848","0.009","74.156","0.005","74.086","0.004","83.082","0.006","1520.6","1.5","293.15","","293.15","","","","","","","","","5","P -1","-P 1","2","","","","- C35 H33 N4 Ni O6 -","- C35 H33 N4 Ni O6 -","- C70 H66 N8 Ni2 O12 -","2","1","","Gao, Lingling; Zhao, Qian-Nan; Li, Miao-Miao; Liming, Fan; Niu, Xiao-Yan; wang, xiaoqing; Hu, Tuoping","Magnetic Properties and Luminescence Sensing of Five Coordination Polymers Based on a Rigid Terphenyl-tetracarboxylic Acid","CrystEngComm","2017","","","","","10.1039/C7CE01510K","","","0.71075","MoKα","","0.1255","0.0592","","","0.1355","0.1613","","","","","","0.945","","","","has coordinates,has disorder","202011","2020-10-21","18:00:00",""
"7229324","9.994","0.011","12.497","0.014","16.113","0.016","69.536","0.014","74.781","0.011","67.507","0.012","1723","3","296.15","","296.15","","","","","","","","","5","P -1","-P 1","2","","","","- C36 H32 Co2 N4 O12 -","- C36 H32 Co2 N4 O12 -","- C72 H64 Co4 N8 O24 -","2","1","","Gao, Lingling; Zhao, Qian-Nan; Li, Miao-Miao; Liming, Fan; Niu, Xiao-Yan; wang, xiaoqing; Hu, Tuoping","Magnetic Properties and Luminescence Sensing of Five Coordination Polymers Based on a Rigid Terphenyl-tetracarboxylic Acid","CrystEngComm","2017","","","","","10.1039/C7CE01510K","","","0.71075","MoKα","","0.1568","0.0511","","","0.1083","0.1483","","","","","","0.892","","","","has coordinates","202011","2020-10-21","18:00:00",""
"7229325","7.3387","0.0004","13.9241","0.0008","22.3669","0.0012","90","","96.06","0.004","90","","2272.8","0.2","296","2","296.15","","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C25 H19 N4 O4 Zn -","- C25 H19 N4 O4 Zn -","- C100 H76 N16 O16 Zn4 -","4","1","","Gao, Lingling; Zhao, Qian-Nan; Li, Miao-Miao; Liming, Fan; Niu, Xiao-Yan; wang, xiaoqing; Hu, Tuoping","Magnetic Properties and Luminescence Sensing of Five Coordination Polymers Based on a Rigid Terphenyl-tetracarboxylic Acid","CrystEngComm","2017","","","","","10.1039/C7CE01510K","","","0.71073","MoKα","","0.0964","0.0452","","","0.0781","0.0927","","","","","","1.006","","","","has coordinates","202011","2020-10-21","18:00:00",""
"7229326","10.141","0.003","10.279","0.003","15.923","0.005","74.507","0.003","74.689","0.003","83.854","0.003","1541.5","0.8","296","2","296.15","","","","","","","","","5","P -1","-P 1","2","","","","- C29 H19 Co N4 O4 -","- C29 H19 Co N4 O4 -","- C58 H38 Co2 N8 O8 -","2","1","","Gao, Lingling; Zhao, Qian-Nan; Li, Miao-Miao; Liming, Fan; Niu, Xiao-Yan; wang, xiaoqing; Hu, Tuoping","Magnetic Properties and Luminescence Sensing of Five Coordination Polymers Based on a Rigid Terphenyl-tetracarboxylic Acid","CrystEngComm","2017","","","","","10.1039/C7CE01510K","","","0.71073","MoKα","","0.0994","0.0529","","","0.1175","0.1311","","","","","","0.924","","","","has coordinates,has disorder","202011","2020-10-21","18:00:00",""
"7229327","9.93","0.02","10.54","0.02","12.84","0.03","94.83","0.02","109.147","0.017","91.194","0.019","1263","5","200","","200","","","","","","","","","5","P -1","-P 1","2","","","","- C23 H15 Co N4 O4 -","- C23 H15 Co N4 O4 -","- C46 H30 Co2 N8 O8 -","2","1","","Gao, Lingling; Zhao, Qian-Nan; Li, Miao-Miao; Liming, Fan; Niu, Xiao-Yan; wang, xiaoqing; Hu, Tuoping","Magnetic Properties and Luminescence Sensing of Five Coordination Polymers Based on a Rigid Terphenyl-tetracarboxylic Acid","CrystEngComm","2017","","","","","10.1039/C7CE01510K","","","0.71073","MoKα","","0.0905","0.0452","","","0.0853","0.0978","","","","","","0.963","","","","has coordinates","202011","2020-10-21","18:00:00",""
"7229328","7.1405","0.0003","15.6868","0.0006","16.3204","0.0006","74.238","0.002","86.018","0.002","83.354","0.002","1746.13","0.12","296","2","296","2","","","","","","","","3","P -1","-P 1","2","","","","- C24 H15 N3 -","- C24 H15 N3 -","- C96 H60 N12 -","4","2","","Ghosh, Pritam; Paul, Suparnal; Banerjee, Priyabrata","How explosive TNP interacts with small tritopic receptor: a combined crystallographic and thermodynamic approach","CrystEngComm","2017","","","","","10.1039/C7CE01494E","","","0.71073","MoKα","","0.0834","0.0559","","","0.1329","0.1556","","","","","","1.05","","","","has coordinates","202012","2020-10-21","18:00:00",""
"7229329","7.0879","0.0006","8.6017","0.0007","23.632","0.002","82.192","0.006","85.543","0.006","81.563","0.006","1409.5","0.2","293","2","293","2","","","","","","","","4","P -1","-P 1","2","","","","- C32 H21 N7 O7 -","- C32 H21 N7 O7 -","- C64 H42 N14 O14 -","2","1","","Ghosh, Pritam; Paul, Suparnal; Banerjee, Priyabrata","How explosive TNP interacts with small tritopic receptor: a combined crystallographic and thermodynamic approach","CrystEngComm","2017","","","","","10.1039/C7CE01494E","","","0.71073","MoKα","","0.1703","0.062","","","0.1571","0.2227","","","","","","1.027","","","","has coordinates","202012","2020-10-21","18:00:00",""
"7229330","9.4843","0.0005","10.5629","0.0006","14.1175","0.0007","90","","91.34","0.003","90","","1413.93","0.13","296","2","296","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C12 H24 Al N O3 -","- C12 H24 Al N O3 -","- C48 H96 Al4 N4 O12 -","4","1","","Kim, Yoseph; Lee, Kang Mun; Kim, So Han; Moon, Jung Hee; Kim, Youngjo","Dimeric alumatranes as catalysts for trimethylsilylcyanation reaction","RSC Adv.","2017","7","76","48151","","10.1039/C7RA09851K","","","0.71073","MoKα","","0.0742","0.0513","","","0.135","0.159","","","","","","1.06","","","","has coordinates","202015","2020-10-21","18:00:00",""
"7229331","10.339","0.0005","9.2969","0.0004","17.3082","0.0008","90","","107.191","0.003","90","","1589.35","0.13","296","2","296","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C15 H24 Al N O3 -","- C15 H24 Al N O3 -","- C60 H96 Al4 N4 O12 -","4","1","","Kim, Yoseph; Lee, Kang Mun; Kim, So Han; Moon, Jung Hee; Kim, Youngjo","Dimeric alumatranes as catalysts for trimethylsilylcyanation reaction","RSC Adv.","2017","7","76","48151","","10.1039/C7RA09851K","","","0.71073","MoKα","","0.1046","0.0903","","","0.2667","0.2809","","","","","","1.082","","","","has coordinates","202015","2020-10-21","18:00:00",""
"7229332","13.6533","0.0006","14.1939","0.0006","18.853","0.0008","90","","98.997","0.002","90","","3608.6","0.3","296","2","296","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C34 H56 Al2 N2 O6 -","- C34 H56 Al2 N2 O6 -","- C136 H224 Al8 N8 O24 -","4","1","","Kim, Yoseph; Lee, Kang Mun; Kim, So Han; Moon, Jung Hee; Kim, Youngjo","Dimeric alumatranes as catalysts for trimethylsilylcyanation reaction","RSC Adv.","2017","7","76","48151","","10.1039/C7RA09851K","","","0.71073","MoKα","","0.1053","0.0579","","","0.1526","0.1868","","","","","","1.017","","","","has coordinates","211691","2020-10-21","18:00:00",""
"7229333","9.28","0.003","4.5988","0.0016","14.376","0.005","90","","90","","90","","613.5","0.4","153","2","153","2","","","","","","","","4","P n a 21","P 2c -2n","33","","","","- C2 H8 N6 O2 -","- C2 H8 N6 O2 -","- C8 H32 N24 O8 -","4","1","","Wang, Qian-You; Wang, Shan; Feng, Xiao; Wu, Le; Zhang, Sheng-Han; Ding, Nan; Tong, Wen-Chao; Zhou, Ming-Rui; Wang, Bo; Yang, Li","A facile method to prepare energetic materials (EMs)","RSC Adv.","2017","7","76","48161","","10.1039/C7RA08115D","","","0.71073","MoKα","","0.0366","0.0343","","","0.0764","0.078","","","","","","1","","","","has coordinates","202016","2020-10-21","18:00:00",""
"7229334","4.6017","0.0014","25.268","0.008","11.95","0.004","90","","97.11","","90","","1378.8","0.8","153","2","153","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C8 H11 N9 O9 -","- C8 H11 N9 O9 -","- C32 H44 N36 O36 -","4","1","","Wang, Qian-You; Wang, Shan; Feng, Xiao; Wu, Le; Zhang, Sheng-Han; Ding, Nan; Tong, Wen-Chao; Zhou, Ming-Rui; Wang, Bo; Yang, Li","A facile method to prepare energetic materials (EMs)","RSC Adv.","2017","7","76","48161","","10.1039/C7RA08115D","","","0.71073","MoKα","","0.0822","0.0535","","","0.1226","0.1362","","","","","","1.002","","","","has coordinates","202016","2020-10-21","18:00:00",""
"7229335","10.324","0.002","9.2938","0.0019","29.738","0.006","90","","99.37","0.03","90","","2815.3","1","153","2","153","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C14 H24 N12 O23 -","- C14 H24 N12 O23 -","- C56 H96 N48 O92 -","4","1","","Wang, Qian-You; Wang, Shan; Feng, Xiao; Wu, Le; Zhang, Sheng-Han; Ding, Nan; Tong, Wen-Chao; Zhou, Ming-Rui; Wang, Bo; Yang, Li","A facile method to prepare energetic materials (EMs)","RSC Adv.","2017","7","76","48161","","10.1039/C7RA08115D","","","0.71073","MoKα","","0.0846","0.0735","","","0.2002","0.2177","","","","","","1.208","","","","has coordinates,has disorder","202016","2020-10-21","18:00:00",""
"7229336","11.5203","0.0002","12.5815","0.0002","11.8042","0.0002","90","","99.088","0.002","90","","1689.45","0.05","150","2","298","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C13 H19 Cd N9 O -","- C13 H19 Cd N9 O -","- C52 H76 Cd4 N36 O4 -","4","1","","Das, Mriganka; Biswas, Amrita; Kundu, Bidyut Kumar; Mobin, Shaikh M.; Udayabhanu, G.; Mukhopadhyay, Suman","Targeted synthesis of cadmium(ii) Schiff base complexes towards corrosion inhibition on mild steel","RSC Adv.","2017","7","77","48569","","10.1039/C7RA08633D","","","0.71073","MoKα","","0.0178","0.0174","","","0.0475","0.0478","","","","","","1.083","","","","has coordinates","202049","2020-10-21","18:00:00",""
"7229337","16.2089","0.0001","14.1348","0.0001","12.8434","0.0001","90","","90","","90","","2942.55","0.04","150","2","150","2","","","","","","","","6","P n a 21","P 2c -2n","33","","","","- C22 H34 Cd Cl2 N6 O8 -","- C22 H34 Cd Cl2 N6 O8 -","- C88 H136 Cd4 Cl8 N24 O32 -","4","1","","Das, Mriganka; Biswas, Amrita; Kundu, Bidyut Kumar; Mobin, Shaikh M.; Udayabhanu, G.; Mukhopadhyay, Suman","Targeted synthesis of cadmium(ii) Schiff base complexes towards corrosion inhibition on mild steel","RSC Adv.","2017","7","77","48569","","10.1039/C7RA08633D","","","0.71073","MoKα","","0.0242","0.0239","","","0.0674","0.0678","","","","","","1.055","","","","has coordinates","202049","2020-10-21","18:00:00",""
"7229338","8.4381","0.0001","10.1003","0.0003","11.303","0.0002","76.078","0.002","81.463","0.002","89.501","0.002","924.3","0.04","150","2","150","2","","","","","","","","5","P -1","-P 1","2","","","","- C16 H22 Cd N4 O4 -","- C16 H22 Cd N4 O4 -","- C32 H44 Cd2 N8 O8 -","2","1","","Das, Mriganka; Biswas, Amrita; Kundu, Bidyut Kumar; Mobin, Shaikh M.; Udayabhanu, G.; Mukhopadhyay, Suman","Targeted synthesis of cadmium(ii) Schiff base complexes towards corrosion inhibition on mild steel","RSC Adv.","2017","7","77","48569","","10.1039/C7RA08633D","","","0.71073","MoKα","","0.0181","0.0177","","","0.0451","0.0453","","","","","","1.124","","","","has coordinates","202049","2020-10-21","18:00:00",""
"7229339","8.793","0.0007","15.6776","0.0013","11.6958","0.0009","90","","107.422","0.009","90","","1538.3","0.2","150","2","150","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C11 H17 Cd N9 -","- C11 H17 Cd N9 -","- C44 H68 Cd4 N36 -","4","1","","Das, Mriganka; Biswas, Amrita; Kundu, Bidyut Kumar; Mobin, Shaikh M.; Udayabhanu, G.; Mukhopadhyay, Suman","Targeted synthesis of cadmium(ii) Schiff base complexes towards corrosion inhibition on mild steel","RSC Adv.","2017","7","77","48569","","10.1039/C7RA08633D","","","0.71073","MoKα","","0.0924","0.0825","","","0.2221","0.2302","","","","","","1.081","","","","has coordinates","202049","2020-10-21","18:00:00",""
"7229340","19.881","0.0004","10.8934","0.0002","16.2898","0.0003","90","","100.828","0.002","90","","3465.1","0.12","150","2","150","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C28 H42 Cd2 N18 -","- C28 H42 Cd2 N18 -","- C112 H168 Cd8 N72 -","4","1","","Das, Mriganka; Biswas, Amrita; Kundu, Bidyut Kumar; Mobin, Shaikh M.; Udayabhanu, G.; Mukhopadhyay, Suman","Targeted synthesis of cadmium(ii) Schiff base complexes towards corrosion inhibition on mild steel","RSC Adv.","2017","7","77","48569","","10.1039/C7RA08633D","","","0.71073","MoKα","","0.025","0.022","","","0.0554","0.058","","","","","","1.055","","","","has coordinates","202049","2020-10-21","18:00:00",""
"7229341","15.4086","0.0008","12.0628","0.0006","29.5294","0.0009","90","","100.627","0.005","90","","5394.5","0.4","291","2","291","2","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C44 H56 Ca Cl6 N4 Ni2 O18 -","- C44 H56 Ca Cl6 N4 Ni2 O18 -","- C176 H224 Ca4 Cl24 N16 Ni8 O72 -","4","1","","Dong, Xiu-Yan; Li, Xiao-Yan; Liu, Ling-Zhi; Zhang, Han; Ding, Yu-Jie; Dong, Wen-Kui","Tri- and hexanuclear heterometallic Ni(ii)‒M(ii) (M = Ca, Sr and Ba) bis(salamo)-type complexes: synthesis, structure and fluorescence properties","RSC Adv.","2017","7","76","48394","","10.1039/C7RA07826A","","","0.71073","MoKα","","0.0645","0.0469","","","0.0959","0.0986","","","","","","1.095","","","","has coordinates","202050","2020-10-21","18:00:00",""
"7229342","23.662","0.0005","17.8187","0.0005","12.4666","0.0003","90","","90","","90","","5256.2","0.2","154.89","0.1","154.89","0.1","","","","","","","","7","P b c n","-P 2n 2ab","60","","","","- C42 H54 Cl4 N4 Ni2 O18 Sr -","- C42 H54 Cl4 N4 Ni2 O18 Sr -","- C168 H216 Cl16 N16 Ni8 O72 Sr4 -","4","0.5","","Dong, Xiu-Yan; Li, Xiao-Yan; Liu, Ling-Zhi; Zhang, Han; Ding, Yu-Jie; Dong, Wen-Kui","Tri- and hexanuclear heterometallic Ni(ii)‒M(ii) (M = Ca, Sr and Ba) bis(salamo)-type complexes: synthesis, structure and fluorescence properties","RSC Adv.","2017","7","76","48394","","10.1039/C7RA07826A","","x-ray","0.71073","MoKα","","0.082","0.0479","","","0.0888","0.1022","","","","","","1.016","","","","has coordinates","202050","2020-10-21","18:00:00",""
"7229343","15.8005","0.0003","15.7041","0.0003","18.2762","0.0004","90","","94.551","0.002","90","","4520.62","0.16","294.06","0.1","294.06","0.1","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C39 H48 Ba N4 Ni2 O18 -","- C39 H48 Ba N4 Ni2 O18 -","- C156 H192 Ba4 N16 Ni8 O72 -","4","1","","Dong, Xiu-Yan; Li, Xiao-Yan; Liu, Ling-Zhi; Zhang, Han; Ding, Yu-Jie; Dong, Wen-Kui","Tri- and hexanuclear heterometallic Ni(ii)‒M(ii) (M = Ca, Sr and Ba) bis(salamo)-type complexes: synthesis, structure and fluorescence properties","RSC Adv.","2017","7","76","48394","","10.1039/C7RA07826A","","x-ray","0.71073","MoKα","","0.0546","0.0365","","","0.076","0.0874","","","","","","1.065","","","","has coordinates,has disorder","202050","2020-10-21","18:00:00",""
"7229344","3.8726","0.0001","10.7671","0.0004","16.5188","0.0006","90.217","0.003","93.186","0.003","98.738","0.002","679.68","0.04","100","","100","","","","","","","","","4","P -1","-P 1","2","","Bis(4-bromophenyl)fumaronitrile","","- C16 H8 Br2 N2 -","- C16 H8 Br2 N2 -","- C32 H16 Br4 N4 -","2","1","","Jensen, Torsten T.; Potticary, Jason; Terry, Lui R.; Bruce Macdonald, Hannah E.; Brandenburg, Jan Gerit; Hall, Simon R.","Polymorphism in crystals of bis(4-bromophenyl)fumaronitrile through vapour phase growth","CrystEngComm","2017","","","","","10.1039/C7CE01543G","","","0.71073","MoKα","","0.042","0.0365","","","0.0902","0.0918","","","","","","1.209","","","","has coordinates","202087","2020-10-21","18:00:00",""
"7229345","7.8318","0.0002","9.3958","0.0003","10.5371","0.0003","87.814","0.002","70.834","0.001","74.15","0.002","703.43","0.04","100","2","100","2","","","","","","","","4","P -1","-P 1","2","","bis(4-bromophenyl)fumaronitrile","","- C16 H8 Br2 N2 -","- C16 H8 Br2 N2 -","- C32 H16 Br4 N4 -","2","1","","Jensen, Torsten T.; Potticary, Jason; Terry, Lui R.; Bruce Macdonald, Hannah E.; Brandenburg, Jan Gerit; Hall, Simon R.","Polymorphism in crystals of bis(4-bromophenyl)fumaronitrile through vapour phase growth","CrystEngComm","2017","","","","","10.1039/C7CE01543G","","","0.71073","MoKα","","0.0188","0.0161","","","0.0404","0.0412","","","","","","1.065","","","","has coordinates","202087","2020-10-21","18:00:00",""
"7229346","15.9701","0.001","17.8188","0.0008","25.3977","0.0011","86.261","0.004","87.234","0.004","63.893","0.005","6474.6","0.6","173","0.1","173","0.1","","","","","","","","4","P -1","-P 1","2","","Spiro-4S","","- C157 H168 O10 S4 -","- C157 H168 O10 S4 -","- C314 H336 O20 S8 -","2","1","","Guan, Jing; Zhang, Fangyuan; Zhang, Yijiao; Liu, Zhigang; Wu, Yanli; Xia, Debin","Synthesis, Structure and Optoelectronic Properties of Rigid 3D Tetraindeno-Fused Spirofluorene with Thioxanthene or Dioxothioxanthene Substitutes","CrystEngComm","2017","","","","","10.1039/C7CE01407D","","x-ray","0.71073","MoKα","","0.1912","0.1217","","","0.3276","0.3935","","","","","","1.206","","","","has coordinates,has disorder","202088","2020-10-21","18:00:00",""
"7229347","31.7737","0.0008","18.4299","0.0006","34.794","0.0006","90","","101.028","0.002","90","","19998.6","0.9","173","0.1","173","0.1","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C133 H104 Cl32 O8 S4 -","- C133 H104 Cl32 O8 S4 -","- C532 H416 Cl128 O32 S16 -","4","0.5","","Guan, Jing; Zhang, Fangyuan; Zhang, Yijiao; Liu, Zhigang; Wu, Yanli; Xia, Debin","Synthesis, Structure and Optoelectronic Properties of Rigid 3D Tetraindeno-Fused Spirofluorene with Thioxanthene or Dioxothioxanthene Substitutes","CrystEngComm","2017","","","","","10.1039/C7CE01407D","","x-ray","0.71073","MoKα","","0.1836","0.1438","","","0.4203","0.4561","","","","","","1.612","","","","has coordinates","202088","2020-10-21","18:00:00",""
"7229348","9.3368","0.0004","13.3286","0.0006","14.8884","0.0006","90","","107.384","0.001","90","","1768.18","0.13","298","2","298","","","","","","","","","5","P 1 21/n 1","-P 2yn","14","SMT-DMSO","Sulfamethazine-DMSO Solvate","","- C14 H20 N4 O3 S2 -","- C14 H20 N4 O3 S2 -","- C56 H80 N16 O12 S8 -","4","1","","Ahuja, Dipali; Bannigan, Pauric; Rasmuson, Ake","Study of three solvates of sulfamethazine","CrystEngComm","2017","","","","","10.1039/C7CE01610G","","","0.71073","MoKα","","0.0517","0.0461","","","0.1295","0.1341","","","","","","1.079","","","","has coordinates","202089","2020-10-21","18:00:00",""
"7229349","9.3986","0.0006","13.803","0.0009","14.5682","0.001","90","","71.354","0.002","90","","1790.7","0.2","298","2","298","","","","","","","","","5","P 1 21/n 1","-P 2yn","14","SMT-DMF","Sulfamethazine-DMF Solvate","","- C15 H21 N5 O3 S -","- C15 H21 N5 O3 S -","- C60 H84 N20 O12 S4 -","4","1","","Ahuja, Dipali; Bannigan, Pauric; Rasmuson, Ake","Study of three solvates of sulfamethazine","CrystEngComm","2017","","","","","10.1039/C7CE01610G","","","0.71073","MoKα","","0.0566","0.0467","","","0.1334","0.1453","","","","","","1.064","","","","has coordinates","202089","2020-10-21","18:00:00",""
"7229350","31.336","0.004","8.0711","0.001","15.218","0.002","90","","90","","90","","3848.9","0.9","293","2","293","2","","","","","","","","5","P n a 21","P 2c -2n","33","SMT-DMA","Sulfamethazine -DMA Solvate","","- C16 H23 N5 O3 S -","- C16 H23 N5 O3 S -","- C128 H184 N40 O24 S8 -","8","2","","Ahuja, Dipali; Bannigan, Pauric; Rasmuson, Ake","Study of three solvates of sulfamethazine","CrystEngComm","2017","","","","","10.1039/C7CE01610G","","","0.71073","MoKα","","0.1661","0.0683","","","0.1113","0.1419","","","","","","1.001","","","","has coordinates","202089","2020-10-21","18:00:00",""
"7229351","10.7579","0.0006","9.2297","0.0005","11.7358","0.0007","90","","92.003","0.005","90","","1164.56","0.11","293","0.1","293","0.1","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C12 H13 N O2 S -","- C12 H13 N O2 S -","- C48 H52 N4 O8 S4 -","4","1","","Nguyen, Thanh Binh; Retailleau, Pascal","Methyl ketone break-and-rebuild: a strategy for full α-heterofunctionalization of acetophenones","Green Chem.","2017","","","","","10.1039/C7GC02558K","","x-ray","0.71073","MoKα","","0.0555","0.043","","","0.1159","0.1256","","","","","","1.052","","","","has coordinates","202093","2020-10-21","18:00:00",""
"7229352","12.614","0.001","13.1455","0.0009","14.8732","0.001","70.674","0.006","76.151","0.006","66.098","0.007","2111.8","0.3","120.01","0.1","120.01","0.1","","","","","","","","6","P -1","-P 1","2","","","","- C68 H98 Mn6 N12 O30 S2 -","- C68 H98 Mn6 N12 O30 S2 -","- C68 H98 Mn6 N12 O30 S2 -","1","0.5","","Rojas-Dotti, Carlos; Martínez-Lillo, José","Thioester-functionalised and oxime-based hexametallic manganese(iii) single-molecule magnets","RSC Adv.","2017","7","77","48841","","10.1039/C7RA09841C","","","1.54184","CuKα","","0.089","0.0733","","","0.1887","0.2073","","","","","","1.008","","","","has coordinates","202098","2020-10-21","18:00:00",""
"7229353","15.9928","0.0004","13.5588","0.0004","23.5059","0.0006","90","","97.227","0.002","90","","5056.6","0.2","120","2","120","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C82 H134 Mn6 N12 O32 S2 -","- C82 H134 Mn6 N12 O32 S2 -","- C164 H268 Mn12 N24 O64 S4 -","2","0.5","","Rojas-Dotti, Carlos; Martínez-Lillo, José","Thioester-functionalised and oxime-based hexametallic manganese(iii) single-molecule magnets","RSC Adv.","2017","7","77","48841","","10.1039/C7RA09841C","","","0.71073","MoKα","","0.1049","0.0751","","","0.1739","0.1923","","","","","","1.009","","","","has coordinates","202098","2020-10-21","18:00:00",""
"7229354","8.719","0.003","7.351","0.003","24.392","0.01","90","","94.484","0.01","90","","1558.6","1","100","","100","","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C38 H30 F6 N2 Ni O2 -","- C38 H30 F6 N2 Ni O2 -","- C76 H60 F12 N4 Ni2 O4 -","2","0.5","","He, Xiaohui; Yang, Yingping; Wang, Suli; Han, Zhilong; Tu, Guangshui; Zhang, Feng; Huang, Shengmei; Wang, Zijie; Chen, Defu","Synthesis of bis-(benzocyclohexan-ketoimino) Ni(ii) with different electron groups and their catalytic copolymerization of norbornene and polar norbornene","RSC Adv.","2017","7","77","48745","","10.1039/C7RA09944D","","","0.71076","MoKα","","0.1224","0.0958","","","0.2224","0.2299","","","","","","1.116","","","","has coordinates","202099","2020-10-21","18:00:00",""
"7229355","14.6652","0.0013","14.852","0.0013","7.0027","0.0006","90","","94.988","0.002","90","","1519.5","0.2","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C38 H36 N2 Ni O4 -","- C38 H36 N2 Ni O4 -","- C76 H72 N4 Ni2 O8 -","2","0.5","","He, Xiaohui; Yang, Yingping; Wang, Suli; Han, Zhilong; Tu, Guangshui; Zhang, Feng; Huang, Shengmei; Wang, Zijie; Chen, Defu","Synthesis of bis-(benzocyclohexan-ketoimino) Ni(ii) with different electron groups and their catalytic copolymerization of norbornene and polar norbornene","RSC Adv.","2017","7","77","48745","","10.1039/C7RA09944D","","","0.71076","MoKα","","0.0404","0.0304","","","0.0729","0.0759","","","","","","1.061","","","","has coordinates","202099","2020-10-21","18:00:00",""
"7229356","8.916","0.003","7.111","0.003","21.905","0.008","90","","93.538","0.009","90","","1386.2","0.9","296","2","296","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C36 H30 F2 N2 Ni O2 -","- C36 H30 F2 N2 Ni O2 -","- C72 H60 F4 N4 Ni2 O4 -","2","0.5","","He, Xiaohui; Yang, Yingping; Wang, Suli; Han, Zhilong; Tu, Guangshui; Zhang, Feng; Huang, Shengmei; Wang, Zijie; Chen, Defu","Synthesis of bis-(benzocyclohexan-ketoimino) Ni(ii) with different electron groups and their catalytic copolymerization of norbornene and polar norbornene","RSC Adv.","2017","7","77","48745","","10.1039/C7RA09944D","","","0.71073","MoKα","","0.0585","0.0478","","","0.0972","0.1003","","","","","","0.95","","","","has coordinates","202099","2020-10-21","18:00:00",""
"7229357","12.6093","0.0011","13.4496","0.0012","15.4036","0.0014","111.422","0.008","100.715","0.007","99.989","0.007","2304.7","0.4","295.42","0.1","295.42","0.1","","","","","","","","6","P -1","-P 1","2","","","","- C38 H38 Ba N4 O14 Zn2 -","- C38 H38 Ba N4 O14 Zn2 -","- C76 H76 Ba2 N8 O28 Zn4 -","2","1","","Wang, Li; Li, Xiao-Yan; Zhao, Qing; Li, Li-Hong; Dong, Wen-Kui","Fluorescence properties of heterotrinuclear Zn(ii)‒M(ii) (M = Ca, Sr and Ba) bis(salamo)-type complexes","RSC Adv.","2017","7","77","48730","","10.1039/C7RA08789F","","x-ray","0.71073","MoKα","","0.1442","0.0839","","","0.2008","0.2468","","","","","","1","","","","has coordinates","202100","2020-10-21","18:00:00",""
"7229358","12.4374","0.0017","12.9596","0.0018","13.3757","0.0019","84.531","0.012","80.178","0.012","86.928","0.011","2113.1","0.5","295.42","0.1","295.42","0.1","","","","","","","","7","P -1","-P 1","2","","","","- C39 H39 Ca Cl3 N4 O14 Zn2 -","- C39 H39 Ca Cl3 N4 O14 Zn2 -","- C78 H78 Ca2 Cl6 N8 O28 Zn4 -","2","1","","Wang, Li; Li, Xiao-Yan; Zhao, Qing; Li, Li-Hong; Dong, Wen-Kui","Fluorescence properties of heterotrinuclear Zn(ii)‒M(ii) (M = Ca, Sr and Ba) bis(salamo)-type complexes","RSC Adv.","2017","7","77","48730","","10.1039/C7RA08789F","","x-ray","0.71073","MoKα","","0.1055","0.0584","","","0.0913","0.1181","","","","","","1.037","","","","has coordinates","202100","2020-10-21","18:00:00",""
"7229359","12.547","0.0019","13.3336","0.0019","15.453","0.002","111.202","0.005","101.075","0.005","100.367","0.005","2275.8","0.6","296","2","296","2","","","","","","","","6","P -1","-P 1","2","","","","- C38 H38 N4 O14 Sr Zn2 -","- C38 H38 N4 O14 Sr Zn2 -","- C76 H76 N8 O28 Sr2 Zn4 -","2","1","","Wang, Li; Li, Xiao-Yan; Zhao, Qing; Li, Li-Hong; Dong, Wen-Kui","Fluorescence properties of heterotrinuclear Zn(ii)‒M(ii) (M = Ca, Sr and Ba) bis(salamo)-type complexes","RSC Adv.","2017","7","77","48730","","10.1039/C7RA08789F","","","0.71073","MoKα","","0.0662","0.0431","","","0.117","0.1247","","","","","","1.053","","","","has coordinates,has disorder","202100","2020-10-21","18:00:00",""
"7229360","5.6166","0.0003","10.8878","0.0009","16.1616","0.0007","98.989","0.005","90.256","0.004","98.291","0.006","965.61","0.11","100.01","0.1","100.01","0.1","","","","","","","","4","P -1","-P 1","2","","","","- C12 H8 N2 O3 -","- C12 H8 N2 O3 -","- C48 H32 N8 O12 -","4","2","","Green, Michael T.; Peczkowski, Gary R.; Al-Ani, Aneesa J.; Benjamin, Sophie L.; Simpkins, Nigel S.; Jones, Alan M.","Total synthesis and structural revision of a mangrove alkaloid","RSC Adv.","2017","7","77","48754","","10.1039/C7RA10483A","","x-ray","1.54184","CuKα","","0.0535","0.0451","","","0.1192","0.1247","","","","","","1.114","","","","has coordinates","202101","2020-10-21","18:00:00",""
"7229361","7.2887","0.0008","7.9722","0.0007","9.8335","0.001","95.529","0.008","103.372","0.009","115.216","0.01","490.45","0.1","150","0.1","150","0.1","","","","","","","","4","P -1","-P 1","2","","","","- C12 H8 N2 O3 -","- C12 H8 N2 O3 -","- C24 H16 N4 O6 -","2","1","","Green, Michael T.; Peczkowski, Gary R.; Al-Ani, Aneesa J.; Benjamin, Sophie L.; Simpkins, Nigel S.; Jones, Alan M.","Total synthesis and structural revision of a mangrove alkaloid","RSC Adv.","2017","7","77","48754","","10.1039/C7RA10483A","","x-ray","0.71073","MoKα","","0.063","0.0592","","","0.1652","0.169","","","","","","1.126","","","","has coordinates","202101","2020-10-21","18:00:00",""
"7229362","25.8352","0.0011","7.7514","0.0003","11.3697","0.0004","90","","102.229","0.004","90","","2225.22","0.15","100","0.1","100","0.1","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C12 H10 N2 O4 -","- C12 H10 N2 O4 -","- C96 H80 N16 O32 -","8","2","","Green, Michael T.; Peczkowski, Gary R.; Al-Ani, Aneesa J.; Benjamin, Sophie L.; Simpkins, Nigel S.; Jones, Alan M.","Total synthesis and structural revision of a mangrove alkaloid","RSC Adv.","2017","7","77","48754","","10.1039/C7RA10483A","","x-ray","0.71073","MoKα","","0.0499","0.0426","","","0.1061","0.111","","","","","","1.08","","","","has coordinates","202101","2020-10-21","18:00:00",""
"7229363","20.889","0.004","21.431","0.004","13.025","0.003","90","","90","","90","","5831","2","296","2","296","2","","","","","","","","5","F d d 2","F 2 -2d","43","","","","- C31 H30 Cd N2 O11 -","- C31 H30 Cd N2 O11 -","- C248 H240 Cd8 N16 O88 -","8","0.5","","Huang, Yong-Qing; Li, Zong-Ge; Chen, Huai-Ying; Cheng, Hai-Di; Wang, Yang; Ren, Yong-He; Zhao, Yue; Liu, Li","Pseudopolymorphism based on 1D metallacyclic chains constructed from angular zwitterionic ionic ditopic diacid organic linker","CrystEngComm","2017","","","","","10.1039/C7CE01568B","","","0.71073","MoKα","","0.0205","0.0188","","","0.0481","0.049","","","","","","1.059","","","","has coordinates","202141","2020-10-21","18:00:00",""
"7229364","12.784","0.004","13.024","0.004","16.815","0.006","90","","91","0.02","90","","2799.3","1.6","296","2","296","2","","","","","","","","5","I 1 2/c 1","-I 2yc","15","","","","- C28 H30 Cd N2 O13 -","- C28 H24 Cd N2 O13 -","- C112 H96 Cd4 N8 O52 -","4","0.5","","Huang, Yong-Qing; Li, Zong-Ge; Chen, Huai-Ying; Cheng, Hai-Di; Wang, Yang; Ren, Yong-He; Zhao, Yue; Liu, Li","Pseudopolymorphism based on 1D metallacyclic chains constructed from angular zwitterionic ionic ditopic diacid organic linker","CrystEngComm","2017","","","","","10.1039/C7CE01568B","","","0.71073","MoKα","","0.0412","0.0359","","","0.1017","0.1089","","","","","","1.078","","","","has coordinates","202141","2020-10-21","18:00:00",""
"7229365","11.9298","0.0004","7.9557","0.0003","12.2145","0.0004","90","","112.172","0.002","90","","1073.55","0.07","200","2","200","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C26 H20 Cu N2 O2 -","- C26 H20 Cu N2 O2 -","- C52 H40 Cu2 N4 O4 -","2","0.5","","Zhao, Liang; Wei, Jianwei; Zhang, Feili; He, Cheng; Zheng, Sijia; Duan, Chunying","Redox-active copper triangles as an enzymatic molecular flask for light-driven hydrogen production","RSC Adv.","2017","7","77","48989","","10.1039/C7RA09285G","","","0.71073","MoKα","","0.0577","0.0391","","","0.103","0.1122","","","","","","1.03","","","","has coordinates","202147","2020-10-21","18:00:00",""
"7229366","3.6433","0.0008","14.063","0.003","14.147","0.003","101.081","0.002","90.448","0.002","94.459","0.002","709","0.3","120","","120","","","","","","","","","5","P -1","-P 1","2","","","","- C30 H2 F20 O4 Pt -","- C30 H2 F20 O4 Pt -","- C30 H2 F20 O4 Pt -","1","0.5","","Hori, Akiko; Gonda, Ryu; Rzeznicka, Izabela I.","Enhanced adsorption of small gas molecules in metal (Cu2+, Pd2+, Pt2+) complexes induced by ligand fluorination","CrystEngComm","2017","","","","","10.1039/C7CE01413A","","","0.71073","MoKα","","0.0163","0.0163","","","0.0393","0.0393","","","","","","1.07","","","","has coordinates","202165","2020-10-21","18:00:00",""
"7229367","7.4372","0.0006","8.2866","0.0005","10.62","0.0013","98.674","0.007","107.377","0.014","90.655","0.006","616.38","0.11","173","","173","","","","","","","","","5","P -1","-P 1","2","","","","- C20 H30 Li2 N2 O12 -","- C20 H30 Li2 N2 O12 -","- C20 H30 Li2 N2 O12 -","1","0.5","","Quarez, Eric; Deunf, Elise; Cadiou, Vincent; Gutel, Thibaut; Boucher, Florent; Guyomard, Dominique; Dolhem, Franck; Poizot, Philippe","Investigating the crystal structures of alkaline and alkaline-earth metal salts of 2,5-(dianilino)terephthalic acid","CrystEngComm","2017","","","","","10.1039/C7CE01501A","","x-ray","0.71073","MoKα","","0.1076","0.0491","","","0.102","0.1255","","","","1.54","1.54","1.42","","","","has coordinates","202166","2020-10-21","18:00:00",""
"7229368","11.955","0.002","6.2885","0.0004","16.03","0.002","90","","91.726","0.012","90","","1204.6","0.3","173","","173","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C20 H30 Li2 N2 O12 -","- C20 H30 Li2 N2 O12 -","- C40 H60 Li4 N4 O24 -","2","0.5","","Quarez, Eric; Deunf, Elise; Cadiou, Vincent; Gutel, Thibaut; Boucher, Florent; Guyomard, Dominique; Dolhem, Franck; Poizot, Philippe","Investigating the crystal structures of alkaline and alkaline-earth metal salts of 2,5-(dianilino)terephthalic acid","CrystEngComm","2017","","","","","10.1039/C7CE01501A","","x-ray","0.71073","MoKα","","0.129","0.049","","","0.0936","0.1298","","","","1.41","1.41","1.4","","","","has coordinates","202166","2020-10-21","18:00:00",""
"7229369","13.6558","0.0019","15.903","0.003","16.6894","0.001","94.295","0.011","113.23","0.01","110.377","0.011","3025.9","0.9","173","","173","","","","","","","","","5","P -1","-P 1","2","","","","- C20 H31.6 Mg N2 O12.8 -","- C20 H31.6 Mg N2 O12.8 -","- C100 H158 Mg5 N10 O64 -","5","2.5","","Quarez, Eric; Deunf, Elise; Cadiou, Vincent; Gutel, Thibaut; Boucher, Florent; Guyomard, Dominique; Dolhem, Franck; Poizot, Philippe","Investigating the crystal structures of alkaline and alkaline-earth metal salts of 2,5-(dianilino)terephthalic acid","CrystEngComm","2017","","","","","10.1039/C7CE01501A","","x-ray","0.71073","MoKα","","0.1777","0.0666","","","0.1183","0.1656","","","","1.72","1.72","1.61","","","","has coordinates","202166","2020-10-21","18:00:00",""
"7229370","7.5982","0.0012","7.5982","0.0012","13.294","0.003","90","","90","","90","","767.5","0.2","296","2","296","","","","","","","","","4","I -4","I -4","82","","ABTOX","","- C2 H8 N10 O2 -","- C2 H8 N10 O2 -","- C8 H32 N40 O8 -","4","0.5","","Jia, Jianhui; Liu, Yu; Huang, Shiliang; Xu, Jinjiang; Li, Shichun; Zhang, Haobin; Cao, Xiong","Crystal structure transformation and step-by-step thermal decomposition behavior of dihydroxylammonium 5,5′-bistetrazole-1,1′-diolate","RSC Adv.","2017","7","77","49105","","10.1039/C7RA08816G","","","0.71073","MoKα","","0.0539","0.0389","","","0.0967","0.1068","","","","","","1.078","","","","has coordinates,has disorder","202243","2020-10-21","18:00:00",""
"7229371","14.1736","0.0005","15.6168","0.0007","20.0291","0.0008","90","","90","","90","","4433.4","0.3","99.98","","99.98","","","","","","","","","7","P 21 21 21","P 2ac 2ab","19","","Carbonyl(trihydroborato)(hydruro)[bis(2-diisopropylphosphinoethyl)amido] ruthenium(II)","","- C17 H40 B N O P2 Ru -","- C17 H40 B N O P2 Ru -","- C136 H320 B8 N8 O8 P16 Ru8 -","8","2","","Nguyen, Duc Hanh; Raffa, Guillaume; Morin, Yohann; Desset, Simon Laurent; Capet, Frédéric; nardello-rataj, veronique; Dumeignil, Franck Yves; Gauvin, Régis","Solvent- and Base-Free Synthesis of Wax Esters from Fatty Acid Methyl Esters by Consecutive One-Pot, Two-Step Catalysis.","Green Chem.","2017","","","","","10.1039/C7GC02764H","","","0.71073","MoKα","","0.0416","0.0302","","","0.0493","0.0528","","","","","","1.017","","","","has coordinates","202248","2020-10-21","18:00:00",""
"7229372","14.1335","0.0008","7.9549","0.0005","20.8717","0.0014","90","","108.331","0.001","90","","2227.5","0.2","296","2","296.15","","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C14 H8 N12 O13 Zn3 -","- C14 H6 N12 O13 Zn3 -","- C56 H24 N48 O52 Zn12 -","4","0.5","","Du, Ceng-Ceng; Wang, Xin-Fang; Zhou, Sheng-Bin; Wang, Duo-Zhi; Jia, Dianzeng","New complexes constructed from in situ nitration of (1H-tetrazol-5-yl)phenol: synthesis, structures and properties","CrystEngComm","2017","","","","","10.1039/C7CE00753A","","","0.71073","MoKα","","0.0268","0.0245","","","0.0671","0.0682","","","","","","1.063","","","","has coordinates,has disorder","202259","2020-10-21","18:00:00",""
"7229373","10.243","0.013","10.444","0.013","11.595","0.014","113.73","0.04","102.22","0.04","104.23","0.04","1031","2","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C14 H12 Cu3 N12 O13 -","- C14 H4 Cu3 N12 O12.5 -","- C28 H8 Cu6 N24 O25 -","2","1","","Du, Ceng-Ceng; Wang, Xin-Fang; Zhou, Sheng-Bin; Wang, Duo-Zhi; Jia, Dianzeng","New complexes constructed from in situ nitration of (1H-tetrazol-5-yl)phenol: synthesis, structures and properties","CrystEngComm","2017","","","","","10.1039/C7CE00753A","","","0.71073","MoKα","","0.1544","0.0738","","","0.2425","0.2938","","","","","","0.994","","","","has coordinates","202259","2020-10-21","18:00:00",""
"7229374","13.523","0.01","11.003","0.008","9.244","0.008","90","","130.792","0.015","90","","1041.3","1.4","296","2","296","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C7 H2 Ag2 N6 O5 -","- C7 H2 Ag2 N6 O5 -","- C28 H8 Ag8 N24 O20 -","4","0.5","","Du, Ceng-Ceng; Wang, Xin-Fang; Zhou, Sheng-Bin; Wang, Duo-Zhi; Jia, Dianzeng","New complexes constructed from in situ nitration of (1H-tetrazol-5-yl)phenol: synthesis, structures and properties","CrystEngComm","2017","","","","","10.1039/C7CE00753A","","","0.71073","MoKα","","0.0622","0.049","","","0.1285","0.1363","","","","","","0.952","","","","has coordinates","202259","2020-10-21","18:00:00",""
"7229375","11.66","0.02","11.62","0.01","18.53","0.03","90","","102.62","0.04","90","","2450","6","296","2","296","2","","","","","","","","5","I 1 2/c 1","-I 2yc","15","","","","- C7 H6 Cu N6 O7 -","- C7 H2 Cu N6 O7 -","- C56 H16 Cu8 N48 O56 -","8","1","","Du, Ceng-Ceng; Wang, Xin-Fang; Zhou, Sheng-Bin; Wang, Duo-Zhi; Jia, Dianzeng","New complexes constructed from in situ nitration of (1H-tetrazol-5-yl)phenol: synthesis, structures and properties","CrystEngComm","2017","","","","","10.1039/C7CE00753A","","","0.71073","MoKα","","0.1617","0.0784","","","0.3194","0.35","","","","","","1.096","","","","has coordinates","202259","2020-10-21","18:00:00",""
"7229376","7.83","0.03","8.07","0.04","12.27","0.07","92.9","0.3","108.43","0.16","90","0.2","735","6","296","2","296.15","","","","","","","","","5","P -1","-P 1","2","","","","- C7 H24 Cu N6 O16 -","- C7 H2 Cu N6 O8 -","- C14 H4 Cu2 N12 O16 -","2","1","","Du, Ceng-Ceng; Wang, Xin-Fang; Zhou, Sheng-Bin; Wang, Duo-Zhi; Jia, Dianzeng","New complexes constructed from in situ nitration of (1H-tetrazol-5-yl)phenol: synthesis, structures and properties","CrystEngComm","2017","","","","","10.1039/C7CE00753A","","","0.71073","MoKα","","0.2221","0.0705","","","0.4291","0.2747","","","","","","1.042","","","","has coordinates,has disorder","202259","2020-10-21","18:00:00",""
"7229377","6.688","0.003","7.946","0.003","12.609","0.005","75.352","0.008","78.014","0.012","67.635","0.012","594.9","0.4","273","2","273.15","","","","","","","","","5","P -1","-P 1","2","","","","- C14 H18 Co N12 O16 -","- C14 H14 Co N12 O14 -","- C14 H14 Co N12 O14 -","1","0.5","","Du, Ceng-Ceng; Wang, Xin-Fang; Zhou, Sheng-Bin; Wang, Duo-Zhi; Jia, Dianzeng","New complexes constructed from in situ nitration of (1H-tetrazol-5-yl)phenol: synthesis, structures and properties","CrystEngComm","2017","","","","","10.1039/C7CE00753A","","","0.71073","MoKα","","0.111","0.0715","","","0.2602","0.2648","","","","","","1.046","","","","has coordinates","202259","2020-10-21","18:00:00",""
"7229378","7.8452","0.0003","11.966","0.005","12.7005","0.0004","107.692","0.001","91.398","0.001","101.232","0.001","1109.7","0.5","296","2","296.15","","","","","","","","","5","P -1","-P 1","2","","","","- C28 H8 Ag8 N24 O21 -","- C28 H8 Ag8 N24 O21 -","- C28 H8 Ag8 N24 O21 -","1","0.5","","Du, Ceng-Ceng; Wang, Xin-Fang; Zhou, Sheng-Bin; Wang, Duo-Zhi; Jia, Dianzeng","New complexes constructed from in situ nitration of (1H-tetrazol-5-yl)phenol: synthesis, structures and properties","CrystEngComm","2017","","","","","10.1039/C7CE00753A","","","0.71073","MoKα","","0.0329","0.0284","","","0.0751","0.0777","","","","","","1.085","","","","has coordinates","202259","2020-10-21","18:00:00",""
"7229379","6.6521","0.0008","16.2005","0.0016","11.0651","0.0016","90","","90","","90","","1192.5","0.3","296","2","296.15","","","","","","","","","5","A m a 2","A 2 -2a","40","","","","- C7 H Ag2 N7 O7 -","- C7 H Ag2 N7 O7 -","- C28 H4 Ag8 N28 O28 -","4","0.5","","Du, Ceng-Ceng; Wang, Xin-Fang; Zhou, Sheng-Bin; Wang, Duo-Zhi; Jia, Dianzeng","New complexes constructed from in situ nitration of (1H-tetrazol-5-yl)phenol: synthesis, structures and properties","CrystEngComm","2017","","","","","10.1039/C7CE00753A","","","0.71073","MoKα","","0.0548","0.0535","","","0.1452","0.1468","","","","","","1.067","","","","has coordinates,has disorder","202259","2020-10-21","18:00:00",""
"7229380","13.08","0.016","13.109","0.016","16.91","0.02","109.17","0.019","92.97","0.02","118.923","0.016","2318","5","296","2","296.15","","","","","","","","","5","P -1","-P 1","2","","","","- C56 H52.2 Cu7 N48 O57.1 -","- C56 H30 Cu7 N48 O46 -","- C56 H30 Cu7 N48 O46 -","1","0.5","","Du, Ceng-Ceng; Wang, Xin-Fang; Zhou, Sheng-Bin; Wang, Duo-Zhi; Jia, Dianzeng","New complexes constructed from in situ nitration of (1H-tetrazol-5-yl)phenol: synthesis, structures and properties","CrystEngComm","2017","","","","","10.1039/C7CE00753A","","","0.71073","MoKα","","0.2352","0.074","","","0.248","0.3221","","","","","","0.963","","","","has coordinates,has disorder","202259","2020-10-21","18:00:00",""
"7229381","29.942","0.0003","12.1964","0.00013","6.85035","0.00008","90","","90","","90","","2501.64","0.05","100","2","100","","","","","","","","Aspergillus versicolor","4","P 21 21 2","P 2 2ab","18","","LZD-14-1-9","","- C26 H34 N4 O5 -","- C26 H34 N4 O5 -","- C104 H136 N16 O20 -","4","1","","Chen, Ran; Cheng, Zhongbin; Huang, Jian; Liu, Dong; Wu, Chongming; Guo, Peng; Lin, Wenhan","Versicotides D‒F, new cyclopeptides with lipid-lowering activities","RSC Adv.","2017","7","78","49235","","10.1039/C7RA07940K","","x-ray","1.54184","CuKα","","0.0335","0.0327","","","0.0886","0.0895","","","","","","1.043","","","","has coordinates","202267","2020-10-21","18:00:00",""
"7229382","8.58993","0.00007","10.68072","0.00007","28.6559","0.0002","90","","90","","90","","2629.08","0.03","293","2","293","2","","","","","","","Aspergillus versicolor","4","P 21 21 21","P 2ac 2ab","19","","LZD-14-1-37","","- C27 H33 N5 O6 -","- C27 H33 N5 O6 -","- C108 H132 N20 O24 -","4","1","","Chen, Ran; Cheng, Zhongbin; Huang, Jian; Liu, Dong; Wu, Chongming; Guo, Peng; Lin, Wenhan","Versicotides D‒F, new cyclopeptides with lipid-lowering activities","RSC Adv.","2017","7","78","49235","","10.1039/C7RA07940K","","x-ray","1.54184","CuKα","","0.036","0.0354","","","0.0991","0.0997","","","","","","1.036","","","","has coordinates","202267","2020-10-21","18:00:00",""
"7229383","9.91935","0.00009","8.16154","0.00007","15.73111","0.00016","90","","92.8934","0.0009","90","","1271.92","0.02","293","2","293","2","","","","","","","","4","P 1 21 1","P 2yb","4","","LZD-14-1-4","","- C26 H33 N5 O6 -","- C26 H33 N5 O6 -","- C52 H66 N10 O12 -","2","1","","Chen, Ran; Cheng, Zhongbin; Huang, Jian; Liu, Dong; Wu, Chongming; Guo, Peng; Lin, Wenhan","Versicotides D‒F, new cyclopeptides with lipid-lowering activities","RSC Adv.","2017","7","78","49235","","10.1039/C7RA07940K","","x-ray","1.54184","CuKα","","0.0281","0.0276","","","0.0691","0.0697","","","","","","1.068","","","","has coordinates","202267","2020-10-21","18:00:00",""
"7229384","10.2454","0.0014","23.167","0.003","19.249","0.002","90","","103.024","0.002","90","","4451.3","1","296.15","","296.15","","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C52 H41 Co N7 O4 -","- C52 H41 Co N7 O4 -","- C208 H164 Co4 N28 O16 -","4","1","","Li, Yueqin; Yang, Zhiwei; Zhou, Minya; Li, Yun","Synthesis and crystal structure of new monometallic Ni(ii) and Co(ii) complexes with an asymmetrical aroylhydrazone: effects of the complexes on DNA/protein binding property, molecular docking, and in vitro anticancer activity","RSC Adv.","2017","7","78","49404","","10.1039/C7RA10283F","","","0.71073","MoKα","","0.1123","0.0517","","","0.1157","0.1489","","","","","","1.011","","","","has coordinates","202268","2020-10-21","18:00:00",""
"7229385","10.252","0.005","23.344","0.011","19.134","0.009","90","","103.243","0.006","90","","4457","4","296.15","","296.15","","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C52 H41 N7 Ni O4 -","- C52 H41 N7 Ni O4 -","- C208 H164 N28 Ni4 O16 -","4","1","","Li, Yueqin; Yang, Zhiwei; Zhou, Minya; Li, Yun","Synthesis and crystal structure of new monometallic Ni(ii) and Co(ii) complexes with an asymmetrical aroylhydrazone: effects of the complexes on DNA/protein binding property, molecular docking, and in vitro anticancer activity","RSC Adv.","2017","7","78","49404","","10.1039/C7RA10283F","","","0.71073","MoKα","","0.1882","0.1038","","","0.2644","0.3059","","","","","","0.989","","","","has coordinates","202268","2020-10-21","18:00:00",""
"7229386","9.194","0.0018","10.227","0.002","10.861","0.002","83.01","0.03","80.83","0.03","81.89","0.03","992.9","0.3","223","2","223","2","","","","","","","","5","P -1","-P 1","2","","","","- C21 H20 N2 O6 Zn -","- C21 H20 N2 O6 Zn -","- C42 H40 N4 O12 Zn2 -","2","1","","Chen, Jing-Min; Zhou, Qian-Kun; Hou, Yi-Xuan; Liu, Dong","Single-crystal-to-single-crystal conversions of two metal-mediated photoreactive coordination polymers based on stereoselective [2+2] photocycloaddition reactions","CrystEngComm","2017","","","","","10.1039/C7CE01402C","","","0.71073","MoKα","","0.0314","0.0263","","","0.0679","0.0706","","","","","","1.041","","","","has coordinates,has disorder","202289","2020-10-21","18:00:00",""
"7229387","13.311","0.003","9.802","0.002","19.394","0.004","90","","102.96","0.03","90","","2466","1","223","2","223","2","","","","","","","","5","P 1 n 1","P -2yac","7","","","","- C54 H45 Ag3 N6 O9 -","- C54 H45 Ag3 N6 O9 -","- C108 H90 Ag6 N12 O18 -","2","1","","Chen, Jing-Min; Zhou, Qian-Kun; Hou, Yi-Xuan; Liu, Dong","Single-crystal-to-single-crystal conversions of two metal-mediated photoreactive coordination polymers based on stereoselective [2+2] photocycloaddition reactions","CrystEngComm","2017","","","","","10.1039/C7CE01402C","","","0.71073","MoKα","","0.1359","0.0962","","","0.217","0.2412","","","","","","1.115","","","","has coordinates","202289","2020-10-21","18:00:00",""
"7229388","13.251","0.003","9.797","0.002","20.209","0.004","90","","107.23","0.03","90","","2505.8","1","223","2","223","2","","","","","","","","5","P 1 n 1","P -2yac","7","","","","- C54 H45 Ag3 N6 O9 -","- C54 H45 Ag3 N6 O9 -","- C108 H90 Ag6 N12 O18 -","2","1","","Chen, Jing-Min; Zhou, Qian-Kun; Hou, Yi-Xuan; Liu, Dong","Single-crystal-to-single-crystal conversions of two metal-mediated photoreactive coordination polymers based on stereoselective [2+2] photocycloaddition reactions","CrystEngComm","2017","","","","","10.1039/C7CE01402C","","","0.71073","MoKα","","0.1081","0.0818","","","0.2074","0.2239","","","","","","1.108","","","","has coordinates","202289","2020-10-21","18:00:00",""
"7229389","9.1976","0.0018","10.206","0.002","10.783","0.002","86.48","0.03","85.66","0.03","79.8","0.03","992.2","0.3","223","2","223","2","","","","","","","","5","P -1","-P 1","2","","","","- C21 H20 N2 O6 Zn -","- C21 H20 N2 O6 Zn -","- C42 H40 N4 O12 Zn2 -","2","1","","Chen, Jing-Min; Zhou, Qian-Kun; Hou, Yi-Xuan; Liu, Dong","Single-crystal-to-single-crystal conversions of two metal-mediated photoreactive coordination polymers based on stereoselective [2+2] photocycloaddition reactions","CrystEngComm","2017","","","","","10.1039/C7CE01402C","","","0.71073","MoKα","","0.054","0.0446","","","0.1","0.1054","","","","","","1.092","","","","has coordinates,has disorder","202289","2020-10-21","18:00:00",""
"7229390","8.22","0.0012","8.7275","0.0007","13.0899","0.0009","71.212","0.007","72.443","0.01","79.12","0.01","843.24","0.16","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","8'-bromo-1',2',3',3a'-tetrahydro-5'H-spiro[chromane-3,4'-pyrrolo[1,2-a]quinoline]-2,4-dione","","- C20 H16 Br N O3 -","- C20 H16 Br N O3 -","- C40 H32 Br2 N2 O6 -","2","1","","Zhu, Shuai; chen, Chunqi; Xiao, Mingyan; Yu, Liping; Wang, Liang; Xiao, Jian","Construction of the tetrahydroquinoline spiro skeleton via cascade [1,5]-hydride transfer-involved C(sp3)-H functionalization “on water”","Green Chem.","2017","","","","","10.1039/C7GC02353G","","","1.54184","CuKα","","0.0576","0.052","","","0.1421","0.1484","","","","","","1.069","","","","has coordinates","202293","2020-10-21","18:00:00",""
"7229391","5.4797","0.0004","9.567","0.0007","24.6309","0.0017","90","","90","","90","","1291.26","0.16","173.15","","173.15","","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C17 H13 N S -","- C17 H13 N S -","- C68 H52 N4 S4 -","4","1","","Deng, Guo-Jun; Ni, Penghui; Li, Bin; Huang, Huawen; Xiao, Fuhong","Solvent-controlled highly regio-selective thieno[2,3-b]indole formation under metal-free conditions","Green Chem.","2017","","","","","10.1039/C7GC02818K","","","0.71073","MoKα","","0.0417","0.0392","","","0.0857","0.0878","","","","","","1.132","","","","has coordinates","202294","2020-10-21","18:00:00",""
"7229392","6.2817","0.0013","19.73","0.004","23.695","0.005","90","","90","","90","","2936.7","1.1","173","2","173","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C17 H12 I N S -","- C17 H12 I N S -","- C136 H96 I8 N8 S8 -","8","1","","Deng, Guo-Jun; Ni, Penghui; Li, Bin; Huang, Huawen; Xiao, Fuhong","Solvent-controlled highly regio-selective thieno[2,3-b]indole formation under metal-free conditions","Green Chem.","2017","","","","","10.1039/C7GC02818K","","","0.71073","MoKα","","0.0514","0.0469","","","0.09","0.0923","","","","","","1.162","","","","has coordinates","202294","2020-10-21","18:00:00",""
"7229393","8.7588","0.0012","15.745","0.002","17.316","0.002","90","","99.308","0.002","90","","2356.6","0.5","296","2","296","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C26 H26 N2 O5 S -","- C26 H26 N2 O5 S -","- C104 H104 N8 O20 S4 -","4","2","","Shen, Chao; Yang, Ming; Xu, Jun; Chen, Chao; Zheng, Kai; Shen, Jiabing; Zhang, Pengfei","Iodobenzene-catalyzed synthesis of aryl sulfonate esters from aminoquinolines via remote radical C‒O cross-coupling","RSC Adv.","2017","7","78","49436","","10.1039/C7RA09053F","","","0.71073","MoKα","","0.0643","0.0455","","","0.119","0.1417","","","","","","1.043","","","","has coordinates","202297","2020-10-21","18:00:00",""
"7229394","8.9158","0.0009","9.195","0.0009","29.183","0.003","90","","95.779","0.002","90","","2380.3","0.4","296","2","296","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C26 H21 Cl N2 O6 S -","- C26 H21 Cl N2 O6 S -","- C104 H84 Cl4 N8 O24 S4 -","4","1","","Shen, Chao; Yang, Ming; Xu, Jun; Chen, Chao; Zheng, Kai; Shen, Jiabing; Zhang, Pengfei","Iodobenzene-catalyzed synthesis of aryl sulfonate esters from aminoquinolines via remote radical C‒O cross-coupling","RSC Adv.","2017","7","78","49436","","10.1039/C7RA09053F","","","0.71073","MoKα","","0.059","0.0422","","","0.1186","0.1385","","","","","","1.047","","","","has coordinates,has disorder","202297","2020-10-21","18:00:00",""
"7229395","12.1864","0.0003","13.4221","0.0003","16.0962","0.0003","88.6544","0.0017","80.3988","0.0018","66.631","0.002","2380.33","0.1","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","Al-3-methoxysalophen","","- C23 H26 Al N3 O10 -","- C23 H26 Al N3 O10 -","- C92 H104 Al4 N12 O40 -","4","2","","Khan, Tuhin; Datta, Anindya","Enhanced fluorescence with nanosecond dynamics in solid state of metal Ion complexes of alkoxy salophens","Phys. Chem. Chem. Phys.","2017","","","","","10.1039/C7CP05429G","","","0.71073","MoKα","","0.047","0.0428","","","0.1117","0.115","","","","","","1.039","","","","has coordinates","202346","2020-10-21","18:00:00",""
"7229396","21.157","0.004","4.9633","0.0009","19.59","0.003","90","","90","","90","","2057.1","0.6","150","2","150","2","","","","","","","","4","P c a 21","P 2c -2ac","29","","3-Ethoxy salophen","","- C24 H24 N2 O4 -","- C24 H24 N2 O4 -","- C96 H96 N8 O16 -","4","1","","Khan, Tuhin; Datta, Anindya","Enhanced fluorescence with nanosecond dynamics in solid state of metal Ion complexes of alkoxy salophens","Phys. Chem. Chem. Phys.","2017","","","","","10.1039/C7CP05429G","","","0.71073","MoKα","","0.1201","0.0762","","","0.1572","0.1921","","","","","","1.066","","","","has coordinates","202346","2020-10-21","18:00:00",""
"7229397","10.8324","0.0008","12.4673","0.0008","12.7788","0.0008","107.399","0.006","107.229","0.006","110.276","0.006","1382.1","0.2","150","2","150","2","","","","","","","","5","P -1","-P 1","2","","Al-3-ethoxysalophen","","- C26 H34 Al N3 O11 -","- C26 H34 Al N3 O11 -","- C52 H68 Al2 N6 O22 -","2","1","","Khan, Tuhin; Datta, Anindya","Enhanced fluorescence with nanosecond dynamics in solid state of metal Ion complexes of alkoxy salophens","Phys. Chem. Chem. Phys.","2017","","","","","10.1039/C7CP05429G","","","1.54184","CuKα","","0.0971","0.0701","","","0.1758","0.203","","","","","","1.036","","","","has coordinates","202346","2020-10-21","18:00:00",""
"7229398","10.0453","0.0011","13.561","0.003","13.8814","0.0015","113.863","0.002","108.606","0.001","92.439","0.002","1606.5","0.4","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C34 H29 F2 N O6 -","- C34 H29 F2 N O6 -","- C68 H58 F4 N2 O12 -","2","1","","Hu, Qiong; Li, Lidong; Yin, Fei; Zhang, Hao; Hu, Yadong; Liu, Baohua; Hu, Yimin","Fused multifunctionalized isoindole-1,3-diones via the coupled oxidation of imidazoles and tetraynes","RSC Adv.","2017","7","78","49810","","10.1039/C7RA08817E","","","0.71073","MoKα","","0.1659","0.1285","","","0.3785","0.4446","","","","","","1.027","","","","has coordinates","202347","2020-10-21","18:00:00",""
"7229399","9.1935","0.0008","24.235","0.002","30.404","0.003","90","","90","","90","","6774.1","1.1","293","2","293","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C38 H33 Cl2 N3 O4 -","- C38 H33 Cl2 N3 O4 -","- C304 H264 Cl16 N24 O32 -","8","1","","Hu, Qiong; Li, Lidong; Yin, Fei; Zhang, Hao; Hu, Yadong; Liu, Baohua; Hu, Yimin","Fused multifunctionalized isoindole-1,3-diones via the coupled oxidation of imidazoles and tetraynes","RSC Adv.","2017","7","78","49810","","10.1039/C7RA08817E","","","0.71073","MoKα","","0.1477","0.0883","","","0.2628","0.309","","","","","","1.041","","","","has coordinates","202347","2020-10-21","18:00:00",""
"7229400","17.038","0.002","20.632","0.003","29.069","0.004","90","","90","","90","","10219","2","296","2","296.15","","","","","","","","","5","P b a m","-P 2 2ab","55","","","","- C42 H38 Cd3 N2 O21 -","- C42 H20 Cd3 N2 O17 -","- C336 H160 Cd24 N16 O136 -","8","1","","Du, Jian-Long; Gao, Ju-Ping; Li, Chao-Ping; Zhang, Xiao-Ying; Hou, Jin-Xin; Jing, Xu; Mu, Ya-Juan; Li, Li-Jun","A stable 3D Cd(ii) metal‒organic framework for highly sensitive detection of Cu2+ ions and nitroaromatic explosives","RSC Adv.","2017","7","78","49618","","10.1039/C7RA08977E","","","0.71073","MoKα","","0.0901","0.0611","","","0.1678","0.1917","","","","","","1.025","","","","has coordinates,has disorder","202349","2020-10-21","18:00:00",""
"7229401","12.878","0.005","24.058","0.005","16.567","0.005","90","","128.376","0.019","90","","4024","2","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C39 H53 Dy N2 O6 -","- C39 H53 Dy N2 O6 -","- C156 H212 Dy4 N8 O24 -","4","1","","Shi, Chao; Nie, Rong; Yao, Xu; Fan, Siqi; An, Guanghui; Dong, Yanping; Li, Guangming","Asymmetry-unit-dominated double slow-relaxation modes of 2,6-dimethyl-3,5-heptanedione dysprosium SMMs","RSC Adv.","2017","7","78","49701","","10.1039/C7RA09711E","","","0.71069","MoKα","","0.0484","0.0346","","","0.0752","0.0839","","","","","","1.097","","","","has coordinates","202350","2020-10-21","18:00:00",""
"7229402","16.643","0.005","12.983","0.005","18.688","0.004","90","","119.996","0.018","90","","3497","2","293","2","293","2","","","","","","","","4","P 1 2/c 1","-P 2yc","13","","","","- C28 H48 Dy O7 -","- C28 H48 Dy O7 -","- C112 H192 Dy4 O28 -","4","1","","Shi, Chao; Nie, Rong; Yao, Xu; Fan, Siqi; An, Guanghui; Dong, Yanping; Li, Guangming","Asymmetry-unit-dominated double slow-relaxation modes of 2,6-dimethyl-3,5-heptanedione dysprosium SMMs","RSC Adv.","2017","7","78","49701","","10.1039/C7RA09711E","","","0.71069","MoKα","","0.1075","0.0667","","","0.1504","0.1791","","","","","","0.995","","","","has coordinates","202350","2020-10-21","18:00:00",""
"7229403","13.266","0.005","16.803","0.005","18.056","0.005","92.267","0.005","94.493","0.005","92.591","0.005","4005","2","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C37 H47 Dy N2 O6 -","- C37 H47 Dy N2 O6 -","- C148 H188 Dy4 N8 O24 -","4","2","","Shi, Chao; Nie, Rong; Yao, Xu; Fan, Siqi; An, Guanghui; Dong, Yanping; Li, Guangming","Asymmetry-unit-dominated double slow-relaxation modes of 2,6-dimethyl-3,5-heptanedione dysprosium SMMs","RSC Adv.","2017","7","78","49701","","10.1039/C7RA09711E","","","0.71069","MoKα","","0.115","0.0598","","","0.1211","0.1523","","","","","","1.036","","","","has coordinates","202350","2020-10-21","18:00:00",""
"7229404","12.91","0.005","16.376","0.005","17.851","0.005","90.622","0.005","94.243","0.005","90.447","0.005","3763","2","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C37 H53 Lu N2 O6 -","- C37 H52.5 Lu N2 O6 -","- C148 H210 Lu4 N8 O24 -","4","2","","Shi, Chao; Nie, Rong; Yao, Xu; Fan, Siqi; An, Guanghui; Dong, Yanping; Li, Guangming","Asymmetry-unit-dominated double slow-relaxation modes of 2,6-dimethyl-3,5-heptanedione dysprosium SMMs","RSC Adv.","2017","7","78","49701","","10.1039/C7RA09711E","","","0.71069","MoKα","","0.0398","0.0297","","","0.0616","0.0672","","","","","","1.07","","","","has coordinates","206489","2020-10-21","18:00:00",""
"7229405","12.96001","0.00014","7.01939","0.0001","25.091","0.0003","90","","97.77","0.001","90","","2261.61","0.05","150.4","0.5","150.4","0.5","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","Ga-HBED.H2O","","- C22 H26 Ga N3 O7 -","- C22 H26 Ga N3 O7 -","- C88 H104 Ga4 N12 O28 -","4","1","","Tsionou, Maria Iris; Knapp, Caroline E.; Foley, Calum A.; Munteanu, Catherine R.; Cakebread, Andrew; Imberti, Cinzia; Eykyn, Thomas R.; Young, Jennifer D.; Paterson, Brett M.; Blower, Philip J.; Ma, Michelle T.","Comparison of macrocyclic and acyclic chelators for gallium-68 radiolabelling","RSC Adv.","2017","7","78","49586","","10.1039/C7RA09076E","","x-ray","1.54184","CuKα","","0.0351","0.0292","","","0.0721","0.0747","","","","","","1.026","","","","has coordinates","202351","2020-10-21","18:00:00",""
"7229406","7.2077","0.0011","17.214","0.003","18.628","0.003","116.909","0.008","91.456","0.009","101.06","0.009","2006","0.6","296","2","296","2","","","","","","","","4","P -1","-P 1","2","","","","- C46 H28 N6 O3 -","- C46 H28 N6 O3 -","- C92 H56 N12 O6 -","2","1","","Patra, Sajal Kumar; Sahu, Kasturi; Patra, Bratati; Sahoo, Dipak Kumar; Mondal, Sruti; Mukherjee, Payel; Biswal, Himansu S.; Kar, Sanjib","Synthesis of urea derivatives via reductive carbon dioxide fixation into contracted porphyrin analogues","Green Chem.","2017","","","","","10.1039/C7GC02798B","","x-ray","0.71073","MoKα","","0.165","0.0695","","","0.1522","0.1763","","","","","","0.989","","","","has coordinates","202371","2020-10-21","18:00:00",""
"7229407","7.7014","0.0005","15.767","0.0009","17.5273","0.001","115.061","0.004","98.474","0.004","93.397","0.004","1889.2","0.2","296.15","0.02","296.15","0.02","","","","","","","","4","P -1","-P 1","2","","","","- C41 H21 N7 O -","- C41 H21 N7 O -","- C82 H42 N14 O2 -","2","1","","Patra, Sajal Kumar; Sahu, Kasturi; Patra, Bratati; Sahoo, Dipak Kumar; Mondal, Sruti; Mukherjee, Payel; Biswal, Himansu S.; Kar, Sanjib","Synthesis of urea derivatives via reductive carbon dioxide fixation into contracted porphyrin analogues","Green Chem.","2017","","","","","10.1039/C7GC02798B","","x-ray","0.71073","MoKα","","0.1474","0.0874","","","0.2467","0.2769","","","","","","0.999","","","","has coordinates","202371","2020-10-21","18:00:00",""
"7229408","16.1335","0.0008","16.7689","0.0008","13.7048","0.0006","90","","111.276","0.002","90","","3455","0.3","296","2","296","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C38 H21 N7 O7 -","- C38 H21 N7 O7 -","- C152 H84 N28 O28 -","4","1","","Patra, Sajal Kumar; Sahu, Kasturi; Patra, Bratati; Sahoo, Dipak Kumar; Mondal, Sruti; Mukherjee, Payel; Biswal, Himansu S.; Kar, Sanjib","Synthesis of urea derivatives via reductive carbon dioxide fixation into contracted porphyrin analogues","Green Chem.","2017","","","","","10.1039/C7GC02798B","","x-ray","0.71073","MoKα","","0.138","0.0641","","","0.1591","0.1831","","","","","","0.959","","","","has coordinates,has disorder","202371","2020-10-21","18:00:00",""
"7229409","12.208","0.003","13.002","0.003","16.101","0.004","90","","104.197","0.004","90","","2477.6","1","296","2","296","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C22.5 H20.5 N5.5 O6.5 Zn -","- C21 H13 N5 O4 Zn -","- C84 H52 N20 O16 Zn4 -","4","1","","Li, Huijun; He, Yaling; Li, Qingqing; Li, Shaojie; Yi, Zhihao; Xu, Zhouqing; Wang, Yuan","Highly sensitive and selective fluorescent probe for Fe3+ and hazardous phenol compounds based on a water-stable Zn-based metal‒organic framework in aqueous media","RSC Adv.","2017","7","79","50035","","10.1039/C7RA08427G","","","0.71073","MoKα","","0.0698","0.0425","","","0.1029","0.1129","","","","","","1.008","","","","has coordinates","202374","2020-10-21","18:00:00",""
"7229410","10.8825","0.0001","13.4584","0.0001","13.6472","0.0001","90","","90","","90","","1998.78","0.03","293","2","293","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C23 H30 O5 -","- C23 H30 O5 -","- C92 H120 O20 -","4","1","","Zhang, Panpan; Li, Yongfang; Jia, Chunxiu; Lang, Jiajia; Niaz, Shah-Iram; Li, Jing; Yuan, Jie; Yu, Jianchen; Chen, Senhua; Liu, Lan","Antiviral and anti-inflammatory meroterpenoids: stachybonoids A‒F from the crinoid-derived fungus Stachybotrys chartarum 952","RSC Adv.","2017","7","79","49910","","10.1039/C7RA09859F","","","1.54178","CuKα","","0.028","0.0278","","","0.0709","0.071","","","","","","1.078","","","","has coordinates","202375","2020-10-21","18:00:00",""
"7229411","25.2277","0.0015","8.2188","0.0004","17.5148","0.0009","90","","99.025","0.005","90","","3586.6","0.3","130","2","130","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C18 H27 N5 O -","- C18 H27 N5 O -","- C144 H216 N40 O8 -","8","1","","Chandgude, Ajay L.; Narducci, Daniele; Kurpiewska, Katarzyna; Kalinowska-Tłuścik, Justyna; Dömling, Alexander","Diastereoselective one pot five-component reaction toward 4-(tetrazole)-1,3-oxazinanes","RSC Adv.","2017","7","79","49995","","10.1039/C7RA07392E","","","0.71073","MoKα","","0.109","0.0574","","","0.1052","0.1273","","","","","","1.07","","","","has coordinates","202376","2020-10-21","18:00:00",""
"7229412","12.4795","0.0008","15.9839","0.0007","10.6108","0.0008","90","","112.921","0.008","90","","1949.4","0.2","129.6","0.8","129.6","0.8","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C18 H35 N5 O -","- C18 H35 N5 O -","- C72 H140 N20 O4 -","4","1","","Chandgude, Ajay L.; Narducci, Daniele; Kurpiewska, Katarzyna; Kalinowska-Tłuścik, Justyna; Dömling, Alexander","Diastereoselective one pot five-component reaction toward 4-(tetrazole)-1,3-oxazinanes","RSC Adv.","2017","7","79","49995","","10.1039/C7RA07392E","","x-ray","0.71073","MoKα","","0.0576","0.0424","","","0.0991","0.1108","","","","","","1.038","","","","has coordinates","204140","2020-10-21","18:00:00",""
"7229413","14.3031","0.0012","18.7654","0.0016","20.9726","0.0017","81.03","0.002","84.861","0.002","79.291","0.002","5452.8","0.8","133","2","133","2","","","","","","","","6","P -1","-P 1","2","","","","- C53 H44 I O3 P4 Rh2 -","- C53 H44 I O3 P4 Rh2 -","- C212 H176 I4 O12 P16 Rh8 -","4","2","","Chen, Yingzan; Liu, Dianhua; Yu, Yi","Insights into the ligand effects of rhodium catalysts toward reductive carbonylation of methanol to ethanol","RSC Adv.","2017","7","79","49875","","10.1039/C7RA10739K","","","0.71073","MoKα","","0.0932","0.053","","","0.1061","0.1191","","","","","","0.893","","","","has coordinates,has disorder","202377","2020-10-21","18:00:00",""
"7229414","3.86","0.0008","11.43","0.002","25.629","0.005","90","","90","","90","","1130.7","0.4","293","2","293","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","daidzein","","- C15 H10 O4 -","- C15 H10 O4 -","- C60 H40 O16 -","4","1","","Jia, Lina; Xu, Shijie; Liu, Shiyuan; Du, Shichao; Wu, Songgu; Gong, Junbo","Polymorphs of daidzein and intermolecular interaction effect on solution crystallization","CrystEngComm","2017","","","","","10.1039/C7CE01716B","","","0.71073","MoKα","","0.1011","0.0667","","","0.097","0.1053","","","","","","1.103","","","","has coordinates","202389","2020-10-21","18:00:00",""
"7229416","5.42489","0.00002","14.78357","0.00007","5.59289","0.00002","90","","90","","90","","448.546","0.003","300","","300","","","","","","","","","3","P n m a","-P 2ac 2n","62","","","","- Ca2 Fe2 O5 -","- Ca2 Fe2 O5 -","- Ca8 Fe8 O20 -","4","0.5","","Kagomiya, Isao; Hirota, Yuki; Kakimoto, Ken-ichi; Fujii, Kotaro; Shiraiwa, Masahiro; Yashima, Masatomo; Fuwa, Akio; Nakamura, Shin","Weak ferromagnetic ordering in brownmillerite Ca2Fe2O5 and its effect on electric field gradients","Phys. Chem. Chem. Phys.","2017","","","","","10.1039/C7CP04520D","powder diffraction","","1.19629","","","0.01106","","","","","","0.01084","0.03456","1.453","","","","","","","has coordinates","202401","2020-10-21","18:00:00",""
"7229417","7.056","0.003","7.075","0.003","8.029","0.003","102.381","0.005","95.387","0.006","90.552","0.006","389.6","0.3","296","2","296","2","","","","","","","","6","P -1","-P 1","2","","","","- Ca2.92 H0.8 Na2 O18 Si6 Tb1.08 -","- Ca2.92 H0.8 Na2 O18 Si6 Tb1.08 -","- Ca2.92 H0.8 Na2 O18 Si6 Tb1.08 -","1","0.5","","Bao, Xinjian; Liu, Xiaoyang; Liu, Xi","High-pressure synthesis, crystal structure and photoluminescence properties of a new terbium silicate: Na2Tb1.08Ca2.92Si6O18H0.8","RSC Adv.","2017","7","79","50195","","10.1039/C7RA10182A","","","0.71073","MoKα","","0.0506","0.0502","","","0.1186","0.1188","","","","","","1.015","","","","has coordinates","202402","2020-10-21","18:00:00",""
"7229418","14.4184","0.0016","8.3825","0.0008","9.4836","0.0009","90","","118.531","0.001","90","","1007.01","0.18","293","2","293","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C6 H6 Co N8 O4 -","- C6 H6 Co N8 O4 -","- C24 H24 Co4 N32 O16 -","4","0.5","","Yan, Tong; Du, Lin; Sun, Lin; Zhang, Xiao-Feng; Wang, Tao; Feng, Jing; Zhou, Jie; Zhao, Qi-Hua","The diversities of magnetic behaviors appearing simultaneously in three isomorphs based on 1H-tetrazolyl-acetic acid ligand","RSC Adv.","2017","7","79","50150","","10.1039/C7RA07997D","","","0.71073","MoKα","","0.0236","0.023","","","0.0617","0.0624","","","","","","1.003","","","","has coordinates","202403","2020-10-21","18:00:00",""
"7229419","14.722","0.0015","8.4723","0.0009","9.6326","0.001","90","","119.062","0.001","90","","1050.2","0.19","293","2","293","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C6 H6 Mn N8 O4 -","- C6 H6 Mn N8 O4 -","- C24 H24 Mn4 N32 O16 -","4","0.5","","Yan, Tong; Du, Lin; Sun, Lin; Zhang, Xiao-Feng; Wang, Tao; Feng, Jing; Zhou, Jie; Zhao, Qi-Hua","The diversities of magnetic behaviors appearing simultaneously in three isomorphs based on 1H-tetrazolyl-acetic acid ligand","RSC Adv.","2017","7","79","50150","","10.1039/C7RA07997D","","","0.71073","MoKα","","0.0243","0.0234","","","0.0634","0.064","","","","","","1.001","","","","has coordinates","202403","2020-10-21","18:00:00",""
"7229420","14.285","0.002","8.3073","0.0014","9.47","0.0016","90","","118.178","0.002","90","","990.6","0.3","293","2","293","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C6 H6 N8 Ni O4 -","- C6 H6 N8 Ni O4 -","- C24 H24 N32 Ni4 O16 -","4","0.5","","Yan, Tong; Du, Lin; Sun, Lin; Zhang, Xiao-Feng; Wang, Tao; Feng, Jing; Zhou, Jie; Zhao, Qi-Hua","The diversities of magnetic behaviors appearing simultaneously in three isomorphs based on 1H-tetrazolyl-acetic acid ligand","RSC Adv.","2017","7","79","50150","","10.1039/C7RA07997D","","","0.71073","MoKα","","0.0319","0.0271","","","0.0695","0.0727","","","","","","0.998","","","","has coordinates","202403","2020-10-21","18:00:00",""
"7229421","8.0456","0.0003","9.1098","0.0004","22.6193","0.0009","94.2433","0.0016","91.5013","0.0017","113.843","0.0016","1509.35","0.11","296","2","296","2","","","","","","","","4","P -1","-P 1","2","","","","- C16 H17 N O6 -","- C16 H17 N O6 -","- C64 H68 N4 O24 -","4","2","","Sarma, Bipul; Khatioda, Rajiv; Saikia, Basanta; Das, Pranab Jyoti","Solubility and In-vitro Drug Permeation Behaviour of Ethenzamide Cocrystals Regulated at Physiological pH Environments","CrystEngComm","2017","","","","","10.1039/C7CE01626C","","","0.71073","MoKα","","0.0613","0.049","","","0.131","0.1383","","","","","","1.077","","","","has coordinates","202438","2020-10-21","18:00:00",""
"7229422","15.72","0.005","4.0408","0.0012","23.577","0.007","90","","92.55","0.02","90","","1496.2","0.8","100","2","100","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C16 H16 N O6 -","- C16 H16 N O6 -","- C64 H64 N4 O24 -","4","1","","Sarma, Bipul; Khatioda, Rajiv; Saikia, Basanta; Das, Pranab Jyoti","Solubility and In-vitro Drug Permeation Behaviour of Ethenzamide Cocrystals Regulated at Physiological pH Environments","CrystEngComm","2017","","","","","10.1039/C7CE01626C","","","0.71073","MoKα","","0.1648","0.0859","","","0.1946","0.2317","","","","","","0.851","","","","has coordinates","202438","2020-10-21","18:00:00",""
"7229423","7.3291","0.0003","13.5985","0.0005","14.7837","0.0005","90","","95.57","0.003","90","","1466.46","0.1","100","2","100","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C16 H17 N O6 -","- C16 H17 N O6 -","- C64 H68 N4 O24 -","4","1","","Sarma, Bipul; Khatioda, Rajiv; Saikia, Basanta; Das, Pranab Jyoti","Solubility and In-vitro Drug Permeation Behaviour of Ethenzamide Cocrystals Regulated at Physiological pH Environments","CrystEngComm","2017","","","","","10.1039/C7CE01626C","","","0.71073","MoKα","","0.052","0.0416","","","0.1068","0.1153","","","","","","1.059","","","","has coordinates","202438","2020-10-21","18:00:00",""
"7229424","11.278","0.011","11.819","0.009","12.258","0.01","95.27","0.03","102.49","0.04","100.87","0.04","1552","2","296","2","296","2","","","","","","","","4","P -1","-P 1","2","","","","- C30 H33 N O16 -","- C30 H33 N O16 -","- C60 H66 N2 O32 -","2","1","","Sarma, Bipul; Khatioda, Rajiv; Saikia, Basanta; Das, Pranab Jyoti","Solubility and In-vitro Drug Permeation Behaviour of Ethenzamide Cocrystals Regulated at Physiological pH Environments","CrystEngComm","2017","","","","","10.1039/C7CE01626C","","","0.71073","MoKα","","0.1583","0.0662","","","0.1439","0.1943","","","","","","0.912","","","","has coordinates","202438","2020-10-21","18:00:00",""
"7229425","11.2432","0.0015","21.829","0.003","25.837","0.004","98.929","0.002","92.438","0.002","94.814","0.002","6232.2","1.5","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C66 H46 N6 O21 Zn4 -","- C66 H46 N6 O21 Zn4 -","- C132 H92 N12 O42 Zn8 -","2","1","","Duan, Jingui; Cao, Haifei; Wang, Suna; Wang, Yang; Lyu, Hongliang; Krishna, Rajamani; Lu, Zhiyong; Jin, Wanqin","Pre-design and synthesis of a five-fold interpenetrated pcu-type porous coordination polymer and its CO2/CO separation","CrystEngComm","2017","","","","","10.1039/C7CE01649B","","","0.71073","MoKα","","0.1468","0.0845","","","0.2171","0.2302","","","","","","1.029","","","","has coordinates","202439","2020-10-21","18:00:00",""
"7229426","11.7272","0.0003","14.522","0.0004","16.3087","0.0004","89.906","0.001","77.494","0.001","81.515","0.001","2680.51","0.12","110","2","110","2","","","","","","","","6","P -1","-P 1","2","","","","- C126 H94 Co3 N22 O4 S6 -","- C126 H94 Co3 N22 O4 S6 -","- C126 H94 Co3 N22 O4 S6 -","1","0.5","","Goswami, Soumyabrata; Tripuramallu, Bharat Kumar; Goldberg, Israel","New meso-substituted trans-A2B2 porphyrins: Synthesis and structure of their metal-mediated supramolecular assemblies†","CrystEngComm","2017","","","","","10.1039/C7CE01642E","","","0.71073","MoKα","","0.0576","0.0452","","","0.1227","0.1322","","","","","","1.024","","","","has coordinates,has disorder","202440","2020-10-21","18:00:00",""
"7229427","32.92","0.002","32.92","0.002","9.3598","0.0006","90","","90","","120","","8784.5","0.9","110","2","110","2","","","","","","","","5","R -3 :H","-R 3","148","","","","- C38 H22 N6 S2 Zn -","- C38 H22 N6 S2 Zn -","- C342 H198 N54 S18 Zn9 -","9","0.5","","Goswami, Soumyabrata; Tripuramallu, Bharat Kumar; Goldberg, Israel","New meso-substituted trans-A2B2 porphyrins: Synthesis and structure of their metal-mediated supramolecular assemblies†","CrystEngComm","2017","","","","","10.1039/C7CE01642E","","","0.71073","MoKα","","0.0635","0.0382","","","0.0935","0.1027","","","","","","1.04","","","","has coordinates,has disorder","202440","2020-10-21","18:00:00",""
"7229428","13.3185","0.0016","14.3273","0.0018","14.2071","0.0016","90","","116.045","0.003","90","","2435.7","0.5","110","2","110","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C58 H34 Co N6 -","- C58 H34 Co N6 -","- C116 H68 Co2 N12 -","2","0.5","","Goswami, Soumyabrata; Tripuramallu, Bharat Kumar; Goldberg, Israel","New meso-substituted trans-A2B2 porphyrins: Synthesis and structure of their metal-mediated supramolecular assemblies†","CrystEngComm","2017","","","","","10.1039/C7CE01642E","","","0.71073","MoKα","","0.1664","0.1342","","","0.375","0.3946","","","","","","3.044","","","","has coordinates","202440","2020-10-21","18:00:00",""
"7229429","16.87","0.0014","13.4875","0.001","21.6035","0.0017","90","","103.001","0.002","90","","4789.5","0.7","110","2","110","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C62 H34 Mn N6 -","- C62 H34 Mn N6 -","- C248 H136 Mn4 N24 -","4","1","","Goswami, Soumyabrata; Tripuramallu, Bharat Kumar; Goldberg, Israel","New meso-substituted trans-A2B2 porphyrins: Synthesis and structure of their metal-mediated supramolecular assemblies†","CrystEngComm","2017","","","","","10.1039/C7CE01642E","","","0.71073","MoKα","","0.1444","0.0773","","","0.1945","0.2263","","","","","","1.154","","","","has coordinates","202440","2020-10-21","18:00:00",""
"7229430","13.2582","0.0005","14.327","0.0005","14.2378","0.0005","90","","115.828","0.001","90","","2434.31","0.15","110","2","110","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C58 H34 N6 Zn -","- C58 H34 N6 Zn -","- C116 H68 N12 Zn2 -","2","0.5","","Goswami, Soumyabrata; Tripuramallu, Bharat Kumar; Goldberg, Israel","New meso-substituted trans-A2B2 porphyrins: Synthesis and structure of their metal-mediated supramolecular assemblies†","CrystEngComm","2017","","","","","10.1039/C7CE01642E","","","0.71073","MoKα","","0.1502","0.126","","","0.3706","0.3807","","","","","","2.797","","","","has coordinates","202440","2020-10-21","18:00:00",""
"7229431","16.8011","0.0019","13.6677","0.0015","21.395","0.002","90","","103.239","0.004","90","","4782.4","0.9","110","2","110","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C62 H34 Co N6 -","- C62 H34 Co N6 -","- C248 H136 Co4 N24 -","4","1","","Goswami, Soumyabrata; Tripuramallu, Bharat Kumar; Goldberg, Israel","New meso-substituted trans-A2B2 porphyrins: Synthesis and structure of their metal-mediated supramolecular assemblies†","CrystEngComm","2017","","","","","10.1039/C7CE01642E","","","0.71073","MoKα","","0.101","0.0613","","","0.1469","0.1652","","","","","","1.03","","","","has coordinates","202440","2020-10-21","18:00:00",""
"7229432","16.8049","0.0016","13.645","0.0011","21.4125","0.0017","90","","103.288","0.004","90","","4778.5","0.7","110","2","110","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C62 H34 N6 Zn -","- C62 H34 N6 Zn -","- C248 H136 N24 Zn4 -","4","1","","Goswami, Soumyabrata; Tripuramallu, Bharat Kumar; Goldberg, Israel","New meso-substituted trans-A2B2 porphyrins: Synthesis and structure of their metal-mediated supramolecular assemblies†","CrystEngComm","2017","","","","","10.1039/C7CE01642E","","","0.71073","MoKα","","0.1342","0.0764","","","0.1517","0.1741","","","","","","1.055","","","","has coordinates","202440","2020-10-21","18:00:00",""
"7229433","32.7506","0.0017","32.7506","0.0017","9.1292","0.0004","90","","90","","120","","8480.1","0.7","110","2","110","2","","","","","","","","5","R -3 :H","-R 3","148","","","","- C42 H24 Co N8 O4 -","- C42 H24 Co N8 O4 -","- C378 H216 Co9 N72 O36 -","9","0.5","","Goswami, Soumyabrata; Tripuramallu, Bharat Kumar; Goldberg, Israel","New meso-substituted trans-A2B2 porphyrins: Synthesis and structure of their metal-mediated supramolecular assemblies†","CrystEngComm","2017","","","","","10.1039/C7CE01642E","","","0.71073","MoKα","","0.0669","0.042","","","0.0887","0.0983","","","","","","1.005","","","","has coordinates","202440","2020-10-21","18:00:00",""
"7229434","26.3576","0.0017","10.1239","0.0006","27.0731","0.0017","90","","101.522","0.002","90","","7078.7","0.8","110","2","110","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C50 H34 N8 O9 Zn3 -","- C50 H34 N8 O9 Zn3 -","- C200 H136 N32 O36 Zn12 -","4","0.5","","Goswami, Soumyabrata; Tripuramallu, Bharat Kumar; Goldberg, Israel","New meso-substituted trans-A2B2 porphyrins: Synthesis and structure of their metal-mediated supramolecular assemblies†","CrystEngComm","2017","","","","","10.1039/C7CE01642E","","","0.71073","MoKα","","0.1014","0.0776","","","0.2064","0.2205","","","","","","1.102","","","","has coordinates","202440","2020-10-21","18:00:00",""
"7229435","16.9401","0.0009","13.6509","0.0007","17.6168","0.001","90","","101.995","0.002","90","","3984.9","0.4","110","2","110","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C42 H24 Mn N8 O4 -","- C42 H24 Mn N8 O4 -","- C168 H96 Mn4 N32 O16 -","4","1","","Goswami, Soumyabrata; Tripuramallu, Bharat Kumar; Goldberg, Israel","New meso-substituted trans-A2B2 porphyrins: Synthesis and structure of their metal-mediated supramolecular assemblies†","CrystEngComm","2017","","","","","10.1039/C7CE01642E","","","0.71073","MoKα","","0.0668","0.0514","","","0.117","0.1272","","","","","","1.008","","","","has coordinates","202440","2020-10-21","18:00:00",""
"7229436","3.5255","0.0006","20.563","0.004","13.666","0.002","90","","90","","90","","990.7","0.3","293","2","293","2","","","","","","","","2","C m c 21","C 2c -2","36","","","","- P Si -","- P Si -","- P24 Si24 -","24","3","","Li, Chunlong; Wang, Shanpeng; Zhang, Xixia; Jia, Ning; Yu, Tongtong; Zhu, Min; Liu, Duo; Tao, Xutang","Controllable Seeded Flux Growth and Optic-electric Properties of Bulk o-SiP Crystals","CrystEngComm","2017","","","","","10.1039/C7CE01676J","","","0.71073","MoKα","","0.0187","0.0185","","","0.0494","0.0496","","","","","","1.109","","","","has coordinates","202441","2020-10-21","18:00:00",""
"7229437","15.3011","0.001","18.6188","0.0012","27.6436","0.0018","90","","101.235","0.001","90","","7724.4","0.9","100","2","100.15","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C88 H40 Cd5 O32 -","- C88 H40 Cd5 O32 -","- C176 H80 Cd10 O64 -","2","0.5","","Liu, Jian-Qiang; Lu, Lu; Wu, Jian; Li, Baohong; SINGH, AMITA; Kumar, Abhinav; Wang, Jun; Batten, Stuart R.","An uncommon 3D 3,3,4,8-c Cd(II) metal-organic framework for highly efficient luminescent sensing and organic dye adsorption: experimental and theoretical insight","CrystEngComm","2017","","","","","10.1039/C7CE01638G","","","0.71073","MoKα","","0.0991","0.0727","","","0.2264","0.2449","","","","","","1.083","","","","has coordinates","202456","2020-10-21","18:00:00",""
"7229438","5.9059","0.0003","6.3964","0.0003","8.9893","0.0004","90","","100.064","0.002","90","","334.36","0.03","150","2","150","2","","","","","","","","5","P 1 21/m 1","-P 2yb","11","","","","- C4 H10 Cl N O2 -","- C4 H10 Cl N O2 -","- C8 H20 Cl2 N2 O4 -","2","0.5","","Rademeyer, Melanie; van der Westhuizen, Belinda","Salts of 4-aminobutyric acid and 6-aminohexanoic acid behaving as molecular Velcro","CrystEngComm","2017","","","","","10.1039/C7CE01597F","","","0.71073","MoKα","","0.0361","0.0288","","","0.0738","0.0781","","","","","","0.831","","","","has coordinates","202457","2020-10-21","18:00:00",""
"7229439","5.2863","0.0003","5.6138","0.0003","17.4559","0.0009","82.962","0.002","86.746","0.002","88.924","0.002","513.26","0.05","150","2","150","2","","","","","","","","5","P -1","-P 1","2","","","","- C6 H14 Cl N O6 -","- C6 H14 Cl N O6 -","- C12 H28 Cl2 N2 O12 -","2","1","","Rademeyer, Melanie; van der Westhuizen, Belinda","Salts of 4-aminobutyric acid and 6-aminohexanoic acid behaving as molecular Velcro","CrystEngComm","2017","","","","","10.1039/C7CE01597F","","","0.71073","MoKα","","0.0331","0.0286","","","0.0705","0.0726","","","","","","1.051","","","","has coordinates","202457","2020-10-21","18:00:00",""
"7229440","4.8399","0.0005","8.3511","0.0007","23.167","0.002","90","","91.273","0.004","90","","936.14","0.15","150","2","150","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C6 H14 N2 O5 -","- C6 H14 N2 O5 -","- C24 H56 N8 O20 -","4","1","","Rademeyer, Melanie; van der Westhuizen, Belinda","Salts of 4-aminobutyric acid and 6-aminohexanoic acid behaving as molecular Velcro","CrystEngComm","2017","","","","","10.1039/C7CE01597F","","","0.71073","MoKα","","0.2061","0.1438","","","0.4324","0.4744","","","","","","1.804","","","","has coordinates,has disorder","202457","2020-10-21","18:00:00",""
"7229441","30.237","0.002","5.0915","0.0003","12.8358","0.0009","90","","93.163","0.002","90","","1973.1","0.2","150","2","150","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C6 H15 I N O2.5 -","- C6 H15 I N O2.5 -","- C48 H120 I8 N8 O20 -","8","1","","Rademeyer, Melanie; van der Westhuizen, Belinda","Salts of 4-aminobutyric acid and 6-aminohexanoic acid behaving as molecular Velcro","CrystEngComm","2017","","","","","10.1039/C7CE01597F","","","0.71073","MoKα","","0.0165","0.0132","","","0.0312","0.0324","","","","","","1.055","","","","has coordinates","206958","2020-10-21","18:00:00",""
"7229442","11.2287","0.0006","8.5257","0.0004","9.1381","0.0005","90","","101.51","0.002","90","","857.22","0.08","150","2","150","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C6 H14 Cl N O2 -","- C6 H14 Cl N O2 -","- C24 H56 Cl4 N4 O8 -","4","1","","Rademeyer, Melanie; van der Westhuizen, Belinda","Salts of 4-aminobutyric acid and 6-aminohexanoic acid behaving as molecular Velcro","CrystEngComm","2017","","","","","10.1039/C7CE01597F","","","0.71073","MoKα","","0.031","0.0244","","","0.0611","0.0638","","","","","","1.065","","","","has coordinates","202457","2020-10-21","18:00:00",""
"7229443","13.3778","0.0013","6.4784","0.0006","15.7657","0.0015","90","","90","","90","","1366.4","0.2","150","2","150","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C4 H10 Br N O2 -","- C4 H10 Br N O2 -","- C32 H80 Br8 N8 O16 -","8","1","","Rademeyer, Melanie; van der Westhuizen, Belinda","Salts of 4-aminobutyric acid and 6-aminohexanoic acid behaving as molecular Velcro","CrystEngComm","2017","","","","","10.1039/C7CE01597F","","","0.71073","MoKα","","0.0196","0.0152","","","0.0352","0.0365","","","","","","1.044","","","","has coordinates","202457","2020-10-21","18:00:00",""
"7229444","29.6835","0.0016","4.9623","0.0003","12.5219","0.0006","90","","92.194","0.002","90","","1843.1","0.17","150","2","150","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C6 H15 Br N O2.5 -","- C6 H15 Br N O2.5 -","- C48 H120 Br8 N8 O20 -","8","1","","Rademeyer, Melanie; van der Westhuizen, Belinda","Salts of 4-aminobutyric acid and 6-aminohexanoic acid behaving as molecular Velcro","CrystEngComm","2017","","","","","10.1039/C7CE01597F","","","0.71073","MoKα","","0.0212","0.0166","","","0.0389","0.0407","","","","","","1.066","","","","has coordinates","206958","2020-10-21","18:00:00",""
"7229445","9.5887","0.0004","6.0522","0.0003","12.6513","0.0006","90","","90","","90","","734.19","0.06","150","2","150","2","","","","","","","","5","P n m a","-P 2ac 2n","62","","","","- C4 H10 I N O2 -","- C4 H10 I N O2 -","- C16 H40 I4 N4 O8 -","4","0.5","","Rademeyer, Melanie; van der Westhuizen, Belinda","Salts of 4-aminobutyric acid and 6-aminohexanoic acid behaving as molecular Velcro","CrystEngComm","2017","","","","","10.1039/C7CE01597F","","","0.71073","MoKα","","0.0125","0.011","","","0.0249","0.0252","","","","","","1.135","","","","has coordinates","202457","2020-10-21","18:00:00",""
"7229446","10.2682","0.0003","6.2802","0.0003","24.5507","0.0009","90","","99.492","0.003","90","","1561.51","0.11","130","2","130","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","4,4'-di-tert-butyl-2,2'-bipyridyl","","","- C18 H24 N2 -","- C18 H24 N2 -","- C72 H96 N8 -","4","1","","Rok, Magdalena; Szklarz, Przemyslaw; Moskwa, Marcin; Kijewska, Monika; Baran, Jan; Bator, Grazyna; Medycki, Wojciech; Zamponi, Michaela","Structures and phase transitions in the neat 4,4'-di-tert-butyl-2,2'-bipyridyl and in its molecular complexes with either brom- or iodanilic acid","CrystEngComm","2017","","","","","10.1039/C7CE01481C","","","0.71073","MoKα","","0.1167","0.0677","","","0.1495","0.1824","","","","","","1.042","","","","has coordinates","202458","2020-10-21","18:00:00",""
"7229447","10.3157","0.0005","6.3341","0.0003","24.5593","0.0014","90","","99.775","0.005","90","","1581.42","0.14","190","2","190","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","4,4'-di-tert-butyl-2,2'-bipyridyl","","- C18 H24 N2 -","- C18 H24 N2 -","- C72 H96 N8 -","4","1","","Rok, Magdalena; Szklarz, Przemyslaw; Moskwa, Marcin; Kijewska, Monika; Baran, Jan; Bator, Grazyna; Medycki, Wojciech; Zamponi, Michaela","Structures and phase transitions in the neat 4,4'-di-tert-butyl-2,2'-bipyridyl and in its molecular complexes with either brom- or iodanilic acid","CrystEngComm","2017","","","","","10.1039/C7CE01481C","","","0.71073","MoKα","","0.1232","0.0751","","","0.2126","0.2386","","","","","","1.013","","","","has coordinates","202458","2020-10-21","18:00:00",""
"7229448","8.951","0.003","11.491","0.005","11.91","0.003","98.84","0.03","104.58","0.06","93.42","0.04","1165.3","0.8","150","2","150","2","","","","","","","","5","P -1","-P 1","2","","","","- C24 H26 Br2 N2 O4 -","- C24 H26 Br2 N2 O4 -","- C48 H52 Br4 N4 O8 -","2","1","","Rok, Magdalena; Szklarz, Przemyslaw; Moskwa, Marcin; Kijewska, Monika; Baran, Jan; Bator, Grazyna; Medycki, Wojciech; Zamponi, Michaela","Structures and phase transitions in the neat 4,4'-di-tert-butyl-2,2'-bipyridyl and in its molecular complexes with either brom- or iodanilic acid","CrystEngComm","2017","","","","","10.1039/C7CE01481C","","","0.71073","MoKα","","0.1129","0.0685","","","0.1627","0.1757","","","","","","0.913","","","","has coordinates","202458","2020-10-21","18:00:00",""
"7229449","9.8323","0.0005","11.7934","0.0006","12.0531","0.0011","80.595","0.006","66.706","0.006","79.529","0.004","1255.83","0.16","345","2","345","2","","","","","","","","5","P -1","-P 1","2","","","","- C24 H26 I2 N2 O4 -","- C24 H26 I2 N2 O4 -","- C48 H52 I4 N4 O8 -","2","1","","Rok, Magdalena; Szklarz, Przemyslaw; Moskwa, Marcin; Kijewska, Monika; Baran, Jan; Bator, Grazyna; Medycki, Wojciech; Zamponi, Michaela","Structures and phase transitions in the neat 4,4'-di-tert-butyl-2,2'-bipyridyl and in its molecular complexes with either brom- or iodanilic acid","CrystEngComm","2017","","","","","10.1039/C7CE01481C","","","0.71073","MoKα","","0.0699","0.0353","","","0.0785","0.0951","","","","","","1.013","","","","has coordinates,has disorder","202458","2020-10-21","18:00:00",""
"7229450","9.261","0.003","11.779","0.003","11.997","0.004","99.09","0.04","103.48","0.05","94.58","0.04","1247.3","0.7","295","2","295","2","","","","","","","","5","P -1","-P 1","2","","","","- C24 H26 I2 N2 O4 -","- C24 H26 I2 N2 O4 -","- C48 H52 I4 N4 O8 -","2","1","","Rok, Magdalena; Szklarz, Przemyslaw; Moskwa, Marcin; Kijewska, Monika; Baran, Jan; Bator, Grazyna; Medycki, Wojciech; Zamponi, Michaela","Structures and phase transitions in the neat 4,4'-di-tert-butyl-2,2'-bipyridyl and in its molecular complexes with either brom- or iodanilic acid","CrystEngComm","2017","","","","","10.1039/C7CE01481C","","","0.71073","MoKα","","0.0438","0.03","","","0.0701","0.0778","","","","","","1.027","","","","has coordinates,has disorder","202458","2020-10-21","18:00:00",""
"7229451","12.3193","0.0007","6.5863","0.0003","10.3445","0.0006","90","","102.039","0.005","90","","820.88","0.08","250","2","250","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","4,4'-di-tert-butyl-2,2'-bipyridyl","","- C18 H24 N2 -","- C18 H24 N2 -","- C36 H48 N4 -","2","0.5","","Rok, Magdalena; Szklarz, Przemyslaw; Moskwa, Marcin; Kijewska, Monika; Baran, Jan; Bator, Grazyna; Medycki, Wojciech; Zamponi, Michaela","Structures and phase transitions in the neat 4,4'-di-tert-butyl-2,2'-bipyridyl and in its molecular complexes with either brom- or iodanilic acid","CrystEngComm","2017","","","","","10.1039/C7CE01481C","","","0.71073","MoKα","","0.1026","0.0612","","","0.161","0.1929","","","","","","1.001","","","","has coordinates,has disorder","202458","2020-10-21","18:00:00",""
"7229452","9.2362","0.0009","9.2949","0.0008","10.8564","0.0009","89.518","0.007","83.33","0.008","80.219","0.008","912.19","0.14","293","2","293","2","","","","","","","","4","P -1","-P 1","2","","","","- C24 H19 N O2 -","- C24 H19 N O2 -","- C48 H38 N2 O4 -","2","1","","Ma, Xiao-Pan; Li, Kun; Wu, Si-Yi; Liang, Cui; SU, Guifa; Mo, Dong-Liang","Construction of 2,3-Quaternary Fused Indolines from Alkynyl tethered Oximes and Diaryliodonium Salts through A Cascade Strategy of N-Arylation/Cycloaddition/[3,3]-Rearrangement","Green Chem.","2017","","","","","10.1039/C7GC02844J","","","0.71073","MoKα","","0.0695","0.0506","","","0.1608","0.1822","","","","","","1.052","","","","has coordinates","202466","2020-10-21","18:00:00",""
"7229453","8.8958","0.0012","18.729","0.002","13.2336","0.0018","90","","108.186","0.002","90","","2094.7","0.5","296","2","296.15","","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C24 H17 Br2 N O2 -","- C24 H17 Br2 N O2 -","- C96 H68 Br8 N4 O8 -","4","1","","Ma, Xiao-Pan; Li, Kun; Wu, Si-Yi; Liang, Cui; SU, Guifa; Mo, Dong-Liang","Construction of 2,3-Quaternary Fused Indolines from Alkynyl tethered Oximes and Diaryliodonium Salts through A Cascade Strategy of N-Arylation/Cycloaddition/[3,3]-Rearrangement","Green Chem.","2017","","","","","10.1039/C7GC02844J","","","0.71073","MoKα","","0.1009","0.0597","","","0.1581","0.181","","","","","","1.044","","","","has coordinates","202466","2020-10-21","18:00:00",""
"7229454","9.272","0.003","9.723","0.003","21.851","0.008","90","","90","","90","","1969.9","1.1","296","2","296","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C25 H22 N2 O -","- C25 H22 N2 O -","- C100 H88 N8 O4 -","4","1","","Ma, Xiao-Pan; Li, Kun; Wu, Si-Yi; Liang, Cui; SU, Guifa; Mo, Dong-Liang","Construction of 2,3-Quaternary Fused Indolines from Alkynyl tethered Oximes and Diaryliodonium Salts through A Cascade Strategy of N-Arylation/Cycloaddition/[3,3]-Rearrangement","Green Chem.","2017","","","","","10.1039/C7GC02844J","","","0.71073","MoKα","","0.0738","0.0519","","","0.1485","0.1675","","","","","","1.019","","","","has coordinates","202466","2020-10-21","18:00:00",""
"7229455","11.2923","0.0005","11.1395","0.0005","22.6048","0.0007","90","","90","","90","","2843.5","0.2","292.87","0.1","292.87","0.1","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C16 H13 N O3 Se -","- C16 H13 N O3 Se -","- C128 H104 N8 O24 Se8 -","8","1","","Zhang, Qing-Bao; Ban, Yong-Liang; Yuan, Pan-Feng; Peng, Shoujiao; Fang, Jianguo; Wu, Li-Zhu; Liu, Qiang","Visible-Light-Mediated Aerobic Selenation of (Hetero)Arenes with Diselenides","Green Chem.","2017","","","","","10.1039/C7GC02803B","","","0.71073","MoKα","","0.0705","0.0396","","","0.0726","0.0851","","","","","","1.019","","","","has coordinates","202467","2020-10-21","18:00:00",""
"7229456","12.0528","0.0007","7.544","0.0003","40.438","0.002","90","","90.907","0.005","90","","3676.4","0.3","120","","120","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C23 H20 N2 S -","- C23 H20 N2 S -","- C184 H160 N16 S8 -","8","2","","Fu, Hong-Yu; Liu, Xiao-Jing; Xia, Min","Tunable solid state emission of novel V-shaped fluorophores by subtle structure modification: polymorphism, mechanofluoro-chromism and micro-fabrication","RSC Adv.","2017","7","80","50720","","10.1039/C7RA10432D","","","0.71073","MoKα","","0.0723","0.0549","","","0.1199","0.1334","","","","","","1.059","","","","has coordinates","202472","2020-10-21","18:00:00",""
"7229457","6.1982","0.0005","24.956","0.002","10.855","0.0009","90","","97.234","0.008","90","","1665.7","0.2","170","","170","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C21 H18 N2 S -","- C21 H18 N2 S -","- C84 H72 N8 S4 -","4","1","","Fu, Hong-Yu; Liu, Xiao-Jing; Xia, Min","Tunable solid state emission of novel V-shaped fluorophores by subtle structure modification: polymorphism, mechanofluoro-chromism and micro-fabrication","RSC Adv.","2017","7","80","50720","","10.1039/C7RA10432D","","","0.71073","MoKα","","0.0741","0.0592","","","0.142","0.1526","","","","","","1.079","","","","has coordinates","202472","2020-10-21","18:00:00",""
"7229458","13.2342","0.0007","13.5131","0.0007","13.7025","0.0007","98.006","0.001","116.199","0.001","93.349","0.001","2157.4","0.2","173","2","173.15","","","","","","","","","7","P -1","-P 1","2","","[Fe(TrIm)4(OTf)2]","","- C98 H92 F6 Fe N8 O8 S2 -","- C98 H92 F6 Fe N8 O8 S2 -","- C98 H92 F6 Fe N8 O8 S2 -","1","0.5","","Li, Jia; Banerjee, Atanu; Hasse, Timothy A.; Loloee, Reza; Biros, Shannon M.; Staples, Richard J.; Chavez, Ferman A.","Synthesis and reactivity of a 4His enzyme model complex","RSC Adv.","2017","7","80","50713","","10.1039/C7RA09456F","","","0.71073","MoKα","","0.0508","0.0384","","","0.0948","0.1032","","","","","","1.035","","","","has coordinates","202473","2020-10-21","18:00:00",""
"7229459","13.948","0.003","15.6771","0.0017","11.2006","0.0016","90","","109.177","0.018","90","","2313.3","0.7","100","","100","","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","trans-5,15-bis(pentafluorophenyl)-10,20-bis(3,4-dimethoxyphenyl)porphyrin (P1)","","- C50 H30 Cl6 F10 N4 O4 -","- C50 H30 Cl6 F10 N4 O4 -","- C100 H60 Cl12 F20 N8 O8 -","2","0.5","","Antonangelo, A. R.; Westrup, K. C. M.; Burt, L. A.; Bezzu, C. Grazia; Malewschik, T.; Machado, G. S.; Nunes, F. S.; McKeown, N. B.; Nakagaki, S.","Synthesis, crystallographic characterization and homogeneous catalytic activity of novel unsymmetric porphyrins","RSC Adv.","2017","7","80","50610","","10.1039/C7RA08734A","","x-ray","0.6889","Synchrotron","","0.116","0.0725","","","0.1897","0.2565","","","","","","1.04","","","","has coordinates","202474","2020-10-21","18:00:00",""
"7229460","12.0821","0.0002","17.9808","0.0002","22.7546","0.0003","90","","96.032","0.001","90","","4915.97","0.12","199.97","0.14","200","","","","","","","","","6","I 1 2/a 1","-I 2ya","15","","Cis-5,10-bis(pentafluorophenyl)-15,20-bis(3,4-dimethoxyphenyl)porphyrin","","- C50 H30 Cl6 F10 N4 O4 -","- C50 H30 Cl6 F10 N4 O4 -","- C200 H120 Cl24 F40 N16 O16 -","4","0.5","","Antonangelo, A. R.; Westrup, K. C. M.; Burt, L. A.; Bezzu, C. Grazia; Malewschik, T.; Machado, G. S.; Nunes, F. S.; McKeown, N. B.; Nakagaki, S.","Synthesis, crystallographic characterization and homogeneous catalytic activity of novel unsymmetric porphyrins","RSC Adv.","2017","7","80","50610","","10.1039/C7RA08734A","","x-ray","1.54184","CuKα","","0.0708","0.0659","","","0.1873","0.1943","","","","","","1.034","","","","has coordinates,has disorder","202474","2020-10-21","18:00:00",""
"7229461","11.536","0.0002","26.8989","0.0006","15.0809","0.0003","90","","109.961","0.002","90","","4398.56","0.16","120.01","0.1","120","","","","","","","","","5","C 1 c 1","C -2yc","9","","5,10,15-tris(pentafluorophenyl)-20-(3,4-dimethoxyphenyl)porphyrin","","- C47 H22 F15 N4 O3 -","- C47 H22 F15 N4 O3 -","- C188 H88 F60 N16 O12 -","4","1","","Antonangelo, A. R.; Westrup, K. C. M.; Burt, L. A.; Bezzu, C. Grazia; Malewschik, T.; Machado, G. S.; Nunes, F. S.; McKeown, N. B.; Nakagaki, S.","Synthesis, crystallographic characterization and homogeneous catalytic activity of novel unsymmetric porphyrins","RSC Adv.","2017","7","80","50610","","10.1039/C7RA08734A","","x-ray","1.54184","CuKα","","0.1079","0.1043","","","0.2897","0.3001","","","","","","1.392","","","","has coordinates,has disorder","202474","2020-10-21","18:00:00",""
"7229462","10.0292","0.0003","13.5724","0.0003","10.3629","0.0004","90","","104.7","0.003","90","","1364.43","0.08","98","","98","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C13 H12 Mn N2 O5 -","- C13 H12 Mn N2 O5 -","- C52 H48 Mn4 N8 O20 -","4","1","","Lin, Rong-Guang; Li, Libo; Lin, Rui-Biao; Arman, Hadi; Chen, Banglin","Separation of C2/C1 hydrocarbons through gate-opening effect in a microporous metal‒organic framework","CrystEngComm","2017","","","","","10.1039/C7CE01766A","","x-ray","0.71073","MoKα","","0.064","0.0599","","","0.1374","0.1389","","","","","","1.074","","","","has coordinates,has disorder","202507","2020-10-21","18:00:00",""
"7229463","13.578","0.003","10.2118","0.0019","9.1356","0.0017","90","","97.423","0.004","90","","1256.1","0.4","296","2","296","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","(E)-4-benzylidene-3,4-dihydro-2H-pyrrol-1-ium 2,2,2-trifluoroacetate","(E)-4-benzylidene-3,4-dihydro-2H-pyrrol-1-ium 2,2,2-trifluoroacetate","","- C13 H12 F3 N O2 -","- C13 H12 F3 N O2 -","- C52 H48 F12 N4 O8 -","4","1","","Smolobochkin, A. V.; Gazizov, A. S.; Melyashova, A. S.; Voronina, J. K.; Strelnik, A. G.; Vatsadze, S. Z.; Burilov, A. R.; Pudovik, M. A.; Fedorova, O. A.; Sinyashin, O. G.","Tandem intramolecular cyclisation/1,3-aryl shift in N-(4,4-diethoxybutyl)-1-arylmethanimines (Kazan reaction): synthesis of 3-benzylidene-1-pyrrolines","RSC Advances","2017","7","80","50955","","10.1039/C7RA11216E","","","0.71073","MoKα","","0.123","0.043","","","0.089","0.1166","","","","","","1.06","","","","has coordinates,has disorder","202514","2020-10-21","18:00:00",""
"7229464","7.961","0.005","10.047","0.007","10.047","0.007","115.086","0.007","106.138","0.008","90.896","0.008","690.8","0.8","296","2","296","2","","","","","","","","5","P -1","-P 1","2","(E)-4-(4-methoxybenzylidene)-3,4-dihydro-2H-pyrrol-1-ium 2,2,2-trifluoroacetate","(E)-4-(4-methoxybenzylidene)-3,4-dihydro-2H-pyrrol-1-ium 2,2,2-trifluoroacetate","","- C14 H14 F3 N O3 -","- C14 H14 F3 N O3 -","- C28 H28 F6 N2 O6 -","2","1","","Smolobochkin, A. V.; Gazizov, A. S.; Melyashova, A. S.; Voronina, J. K.; Strelnik, A. G.; Vatsadze, S. Z.; Burilov, A. R.; Pudovik, M. A.; Fedorova, O. A.; Sinyashin, O. G.","Tandem intramolecular cyclisation/1,3-aryl shift in N-(4,4-diethoxybutyl)-1-arylmethanimines (Kazan reaction): synthesis of 3-benzylidene-1-pyrrolines","RSC Advances","2017","7","80","50955","","10.1039/C7RA11216E","","","0.71073","MoKα","","0.0777","0.056","","","0.1688","0.1884","","","","","","1.264","","","","has coordinates","202514","2020-10-21","18:00:00",""
"7229465","5.038","0.002","24.005","0.011","12.287","0.006","90","","99.804","0.006","90","","1464.3","1.1","296","2","296","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","(E)-3-benzylidene-2-(2-oxopropyl)pyrrolidin-1-ium chloride","(E)-3-benzylidene-2-(2-oxopropyl)pyrrolidin-1-ium chloride","","- C14 H17 Br Cl N O -","- C14 H17 Br Cl N O -","- C56 H68 Br4 Cl4 N4 O4 -","4","1","","Smolobochkin, A. V.; Gazizov, A. S.; Melyashova, A. S.; Voronina, J. K.; Strelnik, A. G.; Vatsadze, S. Z.; Burilov, A. R.; Pudovik, M. A.; Fedorova, O. A.; Sinyashin, O. G.","Tandem intramolecular cyclisation/1,3-aryl shift in N-(4,4-diethoxybutyl)-1-arylmethanimines (Kazan reaction): synthesis of 3-benzylidene-1-pyrrolines","RSC Advances","2017","7","80","50955","","10.1039/C7RA11216E","","","0.71073","MoKα","","0.0578","0.0381","","","0.0628","0.0647","","","","","","1.893","","","","has coordinates","202514","2020-10-21","18:00:00",""
"7229466","23.9","0.04","5.288","0.009","10.524","0.019","90","","90","","90","","1330","4","296","2","296","2","","","","","","","","5","P n a 21","P 2c -2n","33","(E)-4-(3-fluorobenzylidene)-3,4-dihydro-2H-pyrrol-1-ium 2,2,2-trifluoroacetate","(E)-4-(3-fluorobenzylidene)-3,4-dihydro-2H-pyrrol-1-ium 2,2,2-trifluoroacetate","","- C13 H11 F4 N O2 -","- C13 H11 F4 N O2 -","- C52 H44 F16 N4 O8 -","4","1","","Smolobochkin, A. V.; Gazizov, A. S.; Melyashova, A. S.; Voronina, J. K.; Strelnik, A. G.; Vatsadze, S. Z.; Burilov, A. R.; Pudovik, M. A.; Fedorova, O. A.; Sinyashin, O. G.","Tandem intramolecular cyclisation/1,3-aryl shift in N-(4,4-diethoxybutyl)-1-arylmethanimines (Kazan reaction): synthesis of 3-benzylidene-1-pyrrolines","RSC Advances","2017","7","80","50955","","10.1039/C7RA11216E","","","0.71073","MoKα","","0.1116","0.0647","","","0.1684","0.2017","","","","","","0.967","","","","has coordinates,has disorder","202514","2020-10-21","18:00:00",""
"7229467","9.6735","0.0009","17.4644","0.0011","12.1452","0.0013","90","","103.407","0.01","90","","1995.9","0.3","200","1","200","1","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C16 H19 Cu N7 O7 -","- C16 H19 Cu N7 O7 -","- C64 H76 Cu4 N28 O28 -","4","1","","Wałęsa-Chorab, Monika; Banasz, Radosław; Marcinkowski, Damian; Kubicki, Maciej; Patroniak, Violetta","Electrochromism and electrochemical properties of complexes of transition metal ions with benzimidazole-based ligand","RSC Advances","2017","7","80","50858","","10.1039/C7RA10451K","","x-ray","0.71073","MoKα","","0.0792","0.0551","","","0.1325","0.1424","","","","","","1.054","","","","has coordinates","202515","2020-10-21","18:00:00",""
"7229468","9.6841","0.0012","10.0927","0.0009","10.4709","0.0009","91.231","0.007","92.328","0.008","117.823","0.011","903.4","0.18","120","1","120","1","","","","","","","","6","P -1","-P 1","2","","","","- C16 H19 Br2 Cu N5 O -","- C16 H19 Br2 Cu N5 O -","- C32 H38 Br4 Cu2 N10 O2 -","2","1","","Wałęsa-Chorab, Monika; Banasz, Radosław; Marcinkowski, Damian; Kubicki, Maciej; Patroniak, Violetta","Electrochromism and electrochemical properties of complexes of transition metal ions with benzimidazole-based ligand","RSC Advances","2017","7","80","50858","","10.1039/C7RA10451K","","x-ray","0.71073","MoKα","","0.0327","0.0283","","","0.0713","0.0741","","","","","","1.048","","","","has coordinates","202515","2020-10-21","18:00:00",""
"7229469","7.6305","0.0005","8.9863","0.0005","13.5352","0.0008","83.946","0.005","75.427","0.006","67.854","0.006","831.92","0.1","120","1","120","1","","","","","","","","5","P -1","-P 1","2","","","","- C15 H15 Br2 Mn N5 -","- C15 H15 Br2 Mn N5 -","- C30 H30 Br4 Mn2 N10 -","2","1","","Wałęsa-Chorab, Monika; Banasz, Radosław; Marcinkowski, Damian; Kubicki, Maciej; Patroniak, Violetta","Electrochromism and electrochemical properties of complexes of transition metal ions with benzimidazole-based ligand","RSC Advances","2017","7","80","50858","","10.1039/C7RA10451K","","x-ray","0.71073","MoKα","","0.0287","0.0245","","","0.0566","0.0587","","","","","","1.075","","","","has coordinates","202515","2020-10-21","18:00:00",""
"7229470","8.0767","0.0003","11.3717","0.0005","13.9815","0.0008","76.3","0.004","82.265","0.004","85.663","0.003","1234.98","0.1","120","1","120","1","","","","","","","","7","P -1","-P 1","2","","","","- C18 H19 Cu F6 N5 O7 S2 -","- C18 H19 Cu F6 N5 O7 S2 -","- C36 H38 Cu2 F12 N10 O14 S4 -","2","1","","Wałęsa-Chorab, Monika; Banasz, Radosław; Marcinkowski, Damian; Kubicki, Maciej; Patroniak, Violetta","Electrochromism and electrochemical properties of complexes of transition metal ions with benzimidazole-based ligand","RSC Advances","2017","7","80","50858","","10.1039/C7RA10451K","","x-ray","0.71073","MoKα","","0.0321","0.0273","","","0.0685","0.0709","","","","","","1.035","","","","has coordinates","202515","2020-10-21","18:00:00",""
"7229471","11.59108","0.00013","15.95415","0.00019","20.3432","0.0003","90","","90","","90","","3761.98","0.08","130","1","130","1","","","","","","","","6","P b c a","-P 2ac 2ab","61","","","","- C17 H21 Cl2 Co N5 O -","- C17 H21 Cl2 Co N5 O -","- C136 H168 Cl16 Co8 N40 O8 -","8","1","","Wałęsa-Chorab, Monika; Banasz, Radosław; Marcinkowski, Damian; Kubicki, Maciej; Patroniak, Violetta","Electrochromism and electrochemical properties of complexes of transition metal ions with benzimidazole-based ligand","RSC Advances","2017","7","80","50858","","10.1039/C7RA10451K","","x-ray","1.54184","CuKα","","0.052","0.0499","","","0.1488","0.152","","","","","","1.051","","","","has coordinates","202515","2020-10-21","18:00:00",""
"7229472","9.7491","0.0003","16.1976","0.0004","24.3248","0.0006","90","","95.452","0.002","90","","3823.8","0.18","180","1","180","2","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C34 H33 F6 Fe N11 O6 S2 -","- C34 H33 F6 Fe N11 O6 S2 -","- C136 H132 F24 Fe4 N44 O24 S8 -","4","1","","Wałęsa-Chorab, Monika; Banasz, Radosław; Marcinkowski, Damian; Kubicki, Maciej; Patroniak, Violetta","Electrochromism and electrochemical properties of complexes of transition metal ions with benzimidazole-based ligand","RSC Advances","2017","7","80","50858","","10.1039/C7RA10451K","","","0.7107","MoKα","","0.061","0.0495","","","0.1221","0.1302","","","","","","1.037","","","","has coordinates","202515","2020-10-21","18:00:00",""
"7229473","10.9782","0.0013","11.233","0.0014","16.728","0.002","90","","90","","90","","2062.9","0.4","293","2","293","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C18 H24 N2 O6 S -","- C18 H24 N2 O6 S -","- C72 H96 N8 O24 S4 -","4","1","","Li, Guijun; Xu, Xiaoliang; Tian, Hongchang; Liu, Xiaotong; Chen, Wen; Yang, Xiaodong; Zhang, Hongbin","Asymmetric synthesis of δ-amino acid derivatives via diastereoselective vinylogous Mannich reactions between N-tert-butanesulfinyl imines and dioxinone-derived lithium dienolate","RSC Advances","2017","7","80","50822","","10.1039/C7RA10529K","","","0.71073","MoKα","","0.0383","0.0338","","","0.0876","0.0913","","","","","","1.066","","","","has coordinates","202516","2020-10-21","18:00:00",""
"7229474","10.0662","0.0014","15.17","0.002","17.178","0.002","90","","90","","90","","2623.2","0.6","293","2","293","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C26 H29 Br N2 O5 S -","- C26 H29 Br N2 O5 S -","- C104 H116 Br4 N8 O20 S4 -","4","1","","Li, Guijun; Xu, Xiaoliang; Tian, Hongchang; Liu, Xiaotong; Chen, Wen; Yang, Xiaodong; Zhang, Hongbin","Asymmetric synthesis of δ-amino acid derivatives via diastereoselective vinylogous Mannich reactions between N-tert-butanesulfinyl imines and dioxinone-derived lithium dienolate","RSC Advances","2017","7","80","50822","","10.1039/C7RA10529K","","","0.71073","MoKα","","0.0544","0.0347","","","0.0662","0.0716","","","","","","0.985","","","","has coordinates","202516","2020-10-21","18:00:00",""
"7229475","10.551","0.007","11.366","0.008","16.422","0.011","90","","90","","90","","1969","2","293","2","293","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C18 H25 N O4 S -","- C18 H25 N O4 S -","- C72 H100 N4 O16 S4 -","4","1","","Li, Guijun; Xu, Xiaoliang; Tian, Hongchang; Liu, Xiaotong; Chen, Wen; Yang, Xiaodong; Zhang, Hongbin","Asymmetric synthesis of δ-amino acid derivatives via diastereoselective vinylogous Mannich reactions between N-tert-butanesulfinyl imines and dioxinone-derived lithium dienolate","RSC Advances","2017","7","80","50822","","10.1039/C7RA10529K","","","0.71073","MoKα","","0.1202","0.0525","","","0.1073","0.1263","","","","","","0.945","","","","has coordinates","202516","2020-10-21","18:00:00",""
"7229476","16.1444","0.0009","16.5294","0.0009","19.7875","0.0011","90","","90","","90","","5280.4","0.5","173","2","172.99","","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C29 H36 O6 -","- C29 H36 O6 -","- C232 H288 O48 -","8","2","","Sun, Zhenliang; Lv, Zhiliang; Hu, Bin; Zhang, Jifa; Du, Peng; Wang, Man; Xiao, Linlin; Yang, Peiming","Isolation, structure elucidation, and KDD study of (−)-Celosine, a new skeleton with potent anti-atherosclerosis activity","RSC Advances","2017","7","80","50875","","10.1039/C7RA08683K","","","1.54178","CuKα","","0.0541","0.052","","","0.1369","0.1392","","","","","","1.069","","","","has coordinates","206489","2020-10-21","18:00:00",""
"7229490","6.9778","0.0001","12.4862","0.0002","12.6501","0.0002","90","","93.808","0.002","90","","1099.72","0.03","100","2","100","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C12 H11 N5 O -","- C12 H11 N5 O -","- C48 H44 N20 O4 -","4","1","","Lim, Felicia Phei Lin; Low, Szy Teng; Ho, Elvina Lee King; Halcovitch, Nathan R.; Tiekink, Edward R. T.; Dolzhenko, Anton V.","A multicomponent reaction of 2-aminoimidazoles: microwave-assisted synthesis of novel 5-aza-7-deaza-adenines","RSC Advances","2017","7","81","51062","","10.1039/C7RA11305F","","x-ray","0.71073","MoKα","","0.0453","0.0399","","","0.1095","0.1139","","","","","","1.021","","","","has coordinates","202542","2020-10-21","18:00:00",""
"7229491","17.9427","0.0008","26.5356","0.0012","8.4262","0.0004","90","","101.462","0.001","90","","3931.9","0.3","293","2","293","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C28 H24 Cd N6 O4 P -","- C28 H21 Cd N6 O4 P -","- C112 H84 Cd4 N24 O16 P4 -","4","1","","Guo, Mingming; Guo, Huadong; Liu, Siyu; Sun, Yingying; Guo, Xianmin","A microporous cationic metal‒organic framework for the efficient removal of dichromate and the selective adsorption of dyes from water","RSC Advances","2017","7","80","51021","","10.1039/C7RA09429A","","","0.71073","MoKα","","0.0358","0.0322","","","0.0806","0.082","","","","","","1.078","","","","has coordinates,has disorder","202543","2020-10-21","18:00:00",""
"7229492","8.102","0.002","10.826","0.004","12.605","0.004","108.151","0.005","91.018","0.003","101.503","0.005","1025.7","0.6","113","","113","","","","","","","","","7","P -1","-P 1","2","","","","- C16 H36 F12 N2 Ni O14 S10 -","- C16 H36 F12 N2 Ni O14 S10 -","- C16 H36 F12 N2 Ni O14 S10 -","1","0.5","","Kawazu, Yutaro; Hoke, Hiroshi; Yamada, Yasunori; Umecky, Tatsuya; Ozutsumi , Kazuhiko; Takamuku, Toshiyuki","Complex Formation of Nickel(II) with Dimethyl Sulfoxide, Methanol, and Acetonitrile in TFSA−‒based Ionic Liquid of [C2mim][TFSA]","Physical Chemistry Chemical Physics","2017","","","","","10.1039/C7CP06469A","","","0.71075","MoKα","","","0.022","","","","0.0629","","","","","","1.034","","","","has coordinates","202593","2020-10-21","18:00:00",""
"7229493","8.866","0.003","15.203","0.005","12.895","0.005","90","","105.443","0.006","90","","1675.4","1","113","","113","","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C16 H18 F12 N8 Ni O8 S4 -","- C16 H18 F12 N8 Ni O8 S4 -","- C32 H36 F24 N16 Ni2 O16 S8 -","2","0.5","","Kawazu, Yutaro; Hoke, Hiroshi; Yamada, Yasunori; Umecky, Tatsuya; Ozutsumi , Kazuhiko; Takamuku, Toshiyuki","Complex Formation of Nickel(II) with Dimethyl Sulfoxide, Methanol, and Acetonitrile in TFSA−‒based Ionic Liquid of [C2mim][TFSA]","Physical Chemistry Chemical Physics","2017","","","","","10.1039/C7CP06469A","","","0.71075","MoKα","","","0.0515","","","","0.114","","","","","","1.161","","","","has coordinates","202593","2020-10-21","18:00:00",""
"7229494","8.351","0.0016","11.615","0.002","12.237","0.003","111.339","0.002","98.4886","0.0016","100.274","0.002","1058.2","0.4","113","","113","","","","","","","","","7","P -1","-P 1","2","","","","- C16 H36 Co F12 N2 O14 S10 -","- C16 H36 Co F12 N2 O14 S10 -","- C16 H36 Co F12 N2 O14 S10 -","1","0.5","","Kawazu, Yutaro; Hoke, Hiroshi; Yamada, Yasunori; Umecky, Tatsuya; Ozutsumi , Kazuhiko; Takamuku, Toshiyuki","Complex Formation of Nickel(II) with Dimethyl Sulfoxide, Methanol, and Acetonitrile in TFSA−‒based Ionic Liquid of [C2mim][TFSA]","Physical Chemistry Chemical Physics","2017","","","","","10.1039/C7CP06469A","","","0.71075","MoKα","","0.0256","0.0228","","","0.0672","0.0681","","","","","","1.09","","","","has coordinates","202593","2020-10-21","18:00:00",""
"7229496","11.2017","0.0003","17.1297","0.0004","9.488","0.0002","90","","112.712","0.003","90","","1679.4","0.08","293","","293","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C32 H22 Cl4 Cu2 N6 -","- C32 H22 Cl4 Cu2 N6 -","- C64 H44 Cl8 Cu4 N12 -","2","0.5","","Zhao, Jin'an; Zhi, Shuangcheng; Yu, Huaibin; Mao, Ruina; Hu, Jiyong; Song, Wei; Zhang, Junshuai","Mitochondrial and nuclear DNA dual damage induced by 2-(2′-quinolyl)benzimidazole copper complexes with potential anticancer activity","RSC Advances","2017","7","81","51162","","10.1039/C7RA09102H","","","1.54184","CuKα","","0.0476","0.0432","","","0.1218","0.1266","","","","","","1.103","","","","has coordinates","202595","2020-10-21","18:00:00",""
"7229497","9.81614","0.00017","15.9919","0.0003","18.4289","0.0003","90","","96.1399","0.0017","90","","2876.35","0.09","293","2","293","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C34 H26 Br Cu N3 P -","- C34 H26 Br Cu N3 P -","- C136 H104 Br4 Cu4 N12 P4 -","4","1","","Zhao, Jin'an; Zhi, Shuangcheng; Yu, Huaibin; Mao, Ruina; Hu, Jiyong; Song, Wei; Zhang, Junshuai","Mitochondrial and nuclear DNA dual damage induced by 2-(2′-quinolyl)benzimidazole copper complexes with potential anticancer activity","RSC Advances","2017","7","81","51162","","10.1039/C7RA09102H","","","1.54184","CuKα","","0.0425","0.0356","","","0.0955","0.1008","","","","","","1.056","","","","has coordinates","202595","2020-10-21","18:00:00",""
"7229498","8.4937","0.0009","8.684","0.001","10.0187","0.0009","70.661","0.01","81.94","0.008","64.185","0.011","627.68","0.13","294.3","0.1","294.3","0.1","","","","","","","","4","P -1","-P 1","2","","","","- C13 H12 N2 O5 -","- C13 H12 N2 O5 -","- C26 H24 N4 O10 -","2","1","","Zhu, Luyi; Yan, Peipei; Zhang, Lvye; Chen, Zhangtao; Zeng, Xiaofei; Zhong, Guofu","TiCl4/DMAP mediated Z-selective knovenagel condensation of isatins with nitroacetates and related compounds","RSC Advances","2017","7","81","51352","","10.1039/C7RA09951G","","","0.71073","MoKα","","0.0591","0.0447","","","0.1449","0.16","","","","","","1.076","","","","has coordinates","202596","2020-10-21","18:00:00",""
"7229499","10.136","0.003","10.173","0.003","11.012","0.003","104.003","0.003","97.178","0.003","111.781","0.003","993.6","0.5","296.15","","296.15","","","","","","","","","5","P -1","-P 1","2","","","","- C23 H18 N2 O4 S -","- C23 H18 N2 O4 S -","- C46 H36 N4 O8 S2 -","2","1","","Wang, Kai; Wang, Guodong; Duan, Guiyun; Xia, Chengcai","Cobalt(ii)-catalyzed remote C5-selective C‒H sulfonylation of quinolines via insertion of sulfur dioxide","RSC Advances","2017","7","81","51313","","10.1039/C7RA11363C","","","0.71073","MoKα","","0.0607","0.052","","","0.1388","0.1499","","","","","","1.04","","","","has coordinates","202597","2020-10-21","18:00:00",""
"7229500","5.4518","0.0005","12.6676","0.0011","23.036","0.002","90","","90","","90","","1590.9","0.2","293","2","293","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C16 H28 O4 -","- C16 H28 O4 -","- C64 H112 O16 -","4","1","","Shi, Xiao-Shan; Wang, Dun-Jia; Li, Xiao-Ming; Li, Hong-Lei; Meng, Ling-Hong; Li, Xin; Pi, Yan; Zhou, Xing-Wang; Wang, Bin-Gui","Antimicrobial polyketides from Trichoderma koningiopsis QA-3, an endophytic fungus obtained from the medicinal plant Artemisia argyi","RSC Advances","2017","7","81","51335","","10.1039/C7RA11122C","","","1.54178","CuKα","","0.1272","0.0626","","","0.1251","0.1494","","","","","","1.022","","","","has coordinates","202599","2020-10-21","18:00:00",""
"7229501","11.7535","0.0011","5.4477","0.0005","12.702","0.0012","90","","105.281","0.004","90","","784.55","0.13","293","2","293","2","","","","","","","","3","P 1 21 1","P 2yb","4","","","","- C16 H28 O4 -","- C16 H28 O4 -","- C32 H56 O8 -","2","1","","Shi, Xiao-Shan; Wang, Dun-Jia; Li, Xiao-Ming; Li, Hong-Lei; Meng, Ling-Hong; Li, Xin; Pi, Yan; Zhou, Xing-Wang; Wang, Bin-Gui","Antimicrobial polyketides from Trichoderma koningiopsis QA-3, an endophytic fungus obtained from the medicinal plant Artemisia argyi","RSC Advances","2017","7","81","51335","","10.1039/C7RA11122C","","","1.54178","CuKα","","0.1595","0.0679","","","0.1055","0.1235","","","","","","1.025","","","","has coordinates","202599","2020-10-21","18:00:00",""
"7229502","5.4895","0.0004","13.2356","0.0012","11.0897","0.001","90","","91.805","0.002","90","","805.34","0.12","293","2","293","2","","","","","","","","3","P 1 21 1","P 2yb","4","","","","- C16 H28 O5 -","- C16 H28 O5 -","- C32 H56 O10 -","2","1","","Shi, Xiao-Shan; Wang, Dun-Jia; Li, Xiao-Ming; Li, Hong-Lei; Meng, Ling-Hong; Li, Xin; Pi, Yan; Zhou, Xing-Wang; Wang, Bin-Gui","Antimicrobial polyketides from Trichoderma koningiopsis QA-3, an endophytic fungus obtained from the medicinal plant Artemisia argyi","RSC Advances","2017","7","81","51335","","10.1039/C7RA11122C","","","1.54178","CuKα","","0.052","0.0443","","","0.1117","0.1175","","","","","","1.051","","","","has coordinates","202599","2020-10-21","18:00:00",""
"7229503","5.7605","0.0005","9.1002","0.0008","31.056","0.003","90","","91.347","0.001","90","","1627.6","0.3","293","2","293","2","","","","","","","","3","P 1 21 1","P 2yb","4","","","","- C16 H26 O4 -","- C16 H26 O4 -","- C64 H104 O16 -","4","2","","Shi, Xiao-Shan; Wang, Dun-Jia; Li, Xiao-Ming; Li, Hong-Lei; Meng, Ling-Hong; Li, Xin; Pi, Yan; Zhou, Xing-Wang; Wang, Bin-Gui","Antimicrobial polyketides from Trichoderma koningiopsis QA-3, an endophytic fungus obtained from the medicinal plant Artemisia argyi","RSC Advances","2017","7","81","51335","","10.1039/C7RA11122C","","","1.54178","CuKα","","0.1871","0.1255","","","0.2966","0.3477","","","","","","1.086","","","","has coordinates","202599","2020-10-21","18:00:00",""
"7229509","21.9751","0.0019","7.663","0.0007","29.079","0.003","90","","102.209","0.002","90","","4786","0.8","298","2","298","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C24 H21 N2 O10 Zn -","- C24 H21 N2 O10 Zn -","- C192 H168 N16 O80 Zn8 -","8","1","","Lv, Sen; Wang, Yuan Ze; Zhang, Chong; Gu, Xu; Gong, Yun; Lin, Jianhua","Coordination polymer based perovskite device: matched energy levels and photocurrent enhancement in the absence or presence of methanol","CrystEngComm","2017","","","","","10.1039/C7CE01682D","","","0.71073","MoKα","","0.0959","0.0522","","","0.1117","0.1285","","","","","","1.056","","","","has coordinates","202876","2020-10-21","18:00:00",""
"7229510","7.4462","0.0007","9.5919","0.0009","23.752","0.002","90.29","0.001","95.146","0.001","105.614","0.002","1626.5","0.3","298","2","298","2","","","","","","","","5","P -1","-P 1","2","","","","- C66 H64 Co3 N8 O27 -","- C66 H64 Co3 N8 O27 -","- C66 H64 Co3 N8 O27 -","1","0.5","","Lv, Sen; Wang, Yuan Ze; Zhang, Chong; Gu, Xu; Gong, Yun; Lin, Jianhua","Coordination polymer based perovskite device: matched energy levels and photocurrent enhancement in the absence or presence of methanol","CrystEngComm","2017","","","","","10.1039/C7CE01682D","","","0.71073","MoKα","","0.1088","0.0642","","","0.1362","0.1494","","","","","","1.001","","","","has coordinates","202876","2020-10-21","18:00:00",""
"7229511","7.629","0.005","15.946","0.005","16.469","0.005","92.875","0.005","99.764","0.005","101.239","0.005","1929.4","1.5","293","2","293","2","","","","","","","","7","P -1","-P 1","2","","","","- C38 H26 Cl4 Cu2 N8 O7 S2 -","- C38 H22 Cl4 Cu2 N8 O7 S2 -","- C76 H44 Cl8 Cu4 N16 O14 S4 -","2","1","","Wei, Mei-Jie; Fu, Jia-Qi; Wang, Yi-Di; Zhang, Yi; Zang, Hong-Ying; Shao, Kui-Zhan; Li, Yang-Guang; Su, Zhong-Min","High tuneable proton-conducting coordination polymers derived from sulfonate-based ligand","CrystEngComm","2017","","","","","10.1039/C7CE01589E","","","0.71069","MoKα","","0.1092","0.0578","","","0.1386","0.1847","","","","","","1.052","","","","has coordinates","202877","2020-10-21","18:00:00",""
"7229512","8.124","0.005","32.652","0.005","7.379","0.005","90","0.005","93.14","0.005","90","0.005","1954.5","1.8","293","2","293","2","","","","","","","","8","P 1 21/c 1","-P 2ybc","14","","","","- C19 H14 Cl2 Cu N4 O4 P0 S -","- C19 H11 Cl2 Cu N4 O4 S -","- C76 H44 Cl8 Cu4 N16 O16 S4 -","4","1","","Wei, Mei-Jie; Fu, Jia-Qi; Wang, Yi-Di; Zhang, Yi; Zang, Hong-Ying; Shao, Kui-Zhan; Li, Yang-Guang; Su, Zhong-Min","High tuneable proton-conducting coordination polymers derived from sulfonate-based ligand","CrystEngComm","2017","","","","","10.1039/C7CE01589E","","","0.71069","MoKα","","0.1184","0.0808","","","0.1745","0.1903","","","","","","1.119","","","","has coordinates","202877","2020-10-21","18:00:00",""
"7229513","10.35","0.005","14.076","0.005","14.963","0.005","90","0.005","109.222","0.005","90","0.005","2058.4","1.4","293","2","293","2","","","","","","","","8","P 1 21/n 1","-P 2yn","14","","","","- C19 H15 Cl0 Cu N4 O8 P S -","- C19 H11 Cu N4 O8 P S -","- C76 H44 Cu4 N16 O32 P4 S4 -","4","1","","Wei, Mei-Jie; Fu, Jia-Qi; Wang, Yi-Di; Zhang, Yi; Zang, Hong-Ying; Shao, Kui-Zhan; Li, Yang-Guang; Su, Zhong-Min","High tuneable proton-conducting coordination polymers derived from sulfonate-based ligand","CrystEngComm","2017","","","","","10.1039/C7CE01589E","","","0.71069","MoKα","","0.0869","0.0489","","","0.1266","0.1456","","","","","","1.024","","","","has coordinates","202877","2020-10-21","18:00:00",""
"7229514","25.3114","0.0006","25.3114","0.0006","14.3685","0.0007","90","","90","","120","","7972.1","0.5","296","2","296.15","","","","","","","","","7","R -3","-R 3","148","","","","- C14 H20 As0.67 Cu Mo6 N12 O20.67 -","- C13.986 H19.98 As0.666667 Cu Mo6 N11.988 O20.6667 -","- C125.874 H179.82 As6 Cu9 Mo54 N107.892 O186 -","9","","","Cong, Bowen; Su, Zhanhua; Zhao, Zhifeng; Wang, Bo","A novel 3D POMOFs based on Wells-Dawson arsenomolybdates with excellent photocatalytic and lithium-ion batteries performance","CrystEngComm","2017","","","","","10.1039/C7CE01734K","","","0.71073","MoKα","","0.0382","0.0304","","","0.0811","0.0881","","","","","","1.051","","","","has coordinates,has disorder","202878","2020-10-21","18:00:00",""
"7229522","8.1907","0.0005","24.8299","0.0016","7.3077","0.0005","90","","90","","90","","1486.2","0.17","302","2","301.83","","","","","","","","","4","P n a 21","P 2c -2n","33","","","","- C17 H23 N O2 -","- C17 H23 N O2 -","- C68 H92 N4 O8 -","4","1","","Zhou, Yibin; Qian, Lebin; Liu, Miaochang; Wu, Ge; Gao, Wenxia; Ding, Jinchang; Huang, Xiaobo; Wu, Huayue","The influence of different N-substituted groups on the mechanochromic properties of 1,4-dihydropyridine derivatives with simple structures","RSC Advances","2017","7","81","51444","","10.1039/C7RA09515E","","","0.71073","MoKα","","0.1116","0.0859","","","0.2017","0.2239","","","","","","1.025","","","","has coordinates,has disorder","202888","2020-10-21","18:00:00",""
"7229523","17.439","0.003","12.082","0.002","9.2298","0.0016","90","","93.491","0.004","90","","1941.1","0.6","293","2","293","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C23 H27 N O2 -","- C23 H27 N O2 -","- C92 H108 N4 O8 -","4","1","","Zhou, Yibin; Qian, Lebin; Liu, Miaochang; Wu, Ge; Gao, Wenxia; Ding, Jinchang; Huang, Xiaobo; Wu, Huayue","The influence of different N-substituted groups on the mechanochromic properties of 1,4-dihydropyridine derivatives with simple structures","RSC Advances","2017","7","81","51444","","10.1039/C7RA09515E","","","0.71073","MoKα","","0.0682","0.0487","","","0.1263","0.1411","","","","","","1.013","","","","has coordinates","202888","2020-10-21","18:00:00",""
"7229524","19.4307","0.0019","17.6059","0.0016","11.8488","0.0012","90","","91.348","0.002","90","","4052.3","0.7","293","2","293","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C22 H29 N O4 -","- C22 H29 N O4 -","- C176 H232 N8 O32 -","8","2","","Zhou, Yibin; Qian, Lebin; Liu, Miaochang; Wu, Ge; Gao, Wenxia; Ding, Jinchang; Huang, Xiaobo; Wu, Huayue","The influence of different N-substituted groups on the mechanochromic properties of 1,4-dihydropyridine derivatives with simple structures","RSC Advances","2017","7","81","51444","","10.1039/C7RA09515E","","","0.71073","MoKα","","0.1144","0.0683","","","0.1687","0.199","","","","","","1.02","","","","has coordinates","206489","2020-10-21","18:00:00",""
"7229525","6.7838","0.0011","11.793","0.002","12.664","0.002","90","","104.498","0.004","90","","980.9","0.3","293","2","293","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C23 H27 N O2 -","- C23 H27 N O2 -","- C46 H54 N2 O4 -","2","1","","Zhou, Yibin; Qian, Lebin; Liu, Miaochang; Wu, Ge; Gao, Wenxia; Ding, Jinchang; Huang, Xiaobo; Wu, Huayue","The influence of different N-substituted groups on the mechanochromic properties of 1,4-dihydropyridine derivatives with simple structures","RSC Advances","2017","7","81","51444","","10.1039/C7RA09515E","","","0.71073","MoKα","","0.0683","0.0575","","","0.1551","0.165","","","","","","1.04","","","","has coordinates","202888","2020-10-21","18:00:00",""
"7229526","8.6562","0.0003","9.306","0.0003","12.049","0.0004","83.1427","0.001","77.2334","0.001","75.0473","0.0011","912.55","0.05","293","2","293","2","","","","","","","","4","P -1","-P 1","2","","","","- C22 H25 N O2 -","- C22 H25 N O2 -","- C44 H50 N2 O4 -","2","1","","Zhou, Yibin; Qian, Lebin; Liu, Miaochang; Wu, Ge; Gao, Wenxia; Ding, Jinchang; Huang, Xiaobo; Wu, Huayue","The influence of different N-substituted groups on the mechanochromic properties of 1,4-dihydropyridine derivatives with simple structures","RSC Advances","2017","7","81","51444","","10.1039/C7RA09515E","","","0.71073","MoKα","","0.0888","0.0776","","","0.2184","0.2333","","","","","","1.052","","","","has coordinates","202888","2020-10-21","18:00:00",""
"7229527","21.411","0.003","21.411","0.003","9.737","0.0013","90","","90","","120","","3865.7","0.9","123","2","123","2","","","","","","","","4","P 3","P 3","143","","","","- C56.33 H63.33 N2 O8.33 -","- C56.3333 H62 N2 O8.33333 -","- C169 H186 N6 O25 -","3","1","","Yamasaki, Yutaro; Sekiya, Ryo; Haino, Takeharu","Hexameric assembly of 5,17-di-substituted calix[4]arene in the solid state","CrystEngComm","2017","","","","","10.1039/C7CE01515A","","x-ray","0.71073","MoKα","","0.0496","0.044","","","0.1186","0.1232","","","","","","1.055","","","","has coordinates,has disorder","202937","2020-10-21","18:00:00",""
"7229528","31.802","0.011","9.443","0.003","17.98","0.006","90","","119.438","0.003","90","","4702","3","123","2","123","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C56 H62 N2 O8 -","- C56 H62 N2 O8 -","- C224 H248 N8 O32 -","4","0.5","","Yamasaki, Yutaro; Sekiya, Ryo; Haino, Takeharu","Hexameric assembly of 5,17-di-substituted calix[4]arene in the solid state","CrystEngComm","2017","","","","","10.1039/C7CE01515A","","x-ray","0.71073","MoKα","","0.0643","0.0424","","","0.1051","0.1187","","","","","","1.071","","","","has coordinates","202937","2020-10-21","18:00:00",""
"7229529","30.587","0.002","9.5507","0.0008","19.5075","0.0015","90","","113.56","0.001","90","","5223.6","0.7","123","2","123","2","","","","","","","","4","C 1 2 1","C 2y","5","","","","- C59 H70 N2 O9 -","- C59 H70 N2 O9 -","- C236 H280 N8 O36 -","4","1","","Yamasaki, Yutaro; Sekiya, Ryo; Haino, Takeharu","Hexameric assembly of 5,17-di-substituted calix[4]arene in the solid state","CrystEngComm","2017","","","","","10.1039/C7CE01515A","","x-ray","0.71073","MoKα","","0.0569","0.0456","","","0.1123","0.1199","","","","","","1.049","","","","has coordinates,has disorder","202937","2020-10-21","18:00:00",""
"7229530","21.4358","0.0015","21.4358","0.0015","9.708","0.0007","90","","90","","120","","3863.1","0.5","123","2","123","2","","","","","","","","4","P 3","P 3","143","","","","- C56.67 H63 N2.33 O8 -","- C56.6667 H62 N2.33333 O8 -","- C170 H186 N7 O24 -","3","1","","Yamasaki, Yutaro; Sekiya, Ryo; Haino, Takeharu","Hexameric assembly of 5,17-di-substituted calix[4]arene in the solid state","CrystEngComm","2017","","","","","10.1039/C7CE01515A","","x-ray","0.71073","MoKα","","0.0396","0.0363","","","0.0945","0.0968","","","","","","1.044","","","","has coordinates,has disorder","202937","2020-10-21","18:00:00",""
"7229531","21.4114","0.0018","21.4114","0.0018","9.799","0.0008","90","","90","","120","","3890.5","0.6","123","2","123","2","","","","","","","","4","P 3","P 3","143","","","","- C56.67 H64 N2 O8.33 -","- C56.6666 H62 N2 O8.33333 -","- C170 H186 N6 O25 -","3","1","","Yamasaki, Yutaro; Sekiya, Ryo; Haino, Takeharu","Hexameric assembly of 5,17-di-substituted calix[4]arene in the solid state","CrystEngComm","2017","","","","","10.1039/C7CE01515A","","x-ray","0.71073","MoKα","","0.0492","0.046","","","0.1246","0.1282","","","","","","1.05","","","","has coordinates,has disorder","202937","2020-10-21","18:00:00",""
"7229532","21.43","0.003","21.43","0.003","9.6863","0.0013","90","","90","","120","","3852.4","0.9","123","2","123","2","","","","","","","","4","P 3","P 3","143","","","","- C56 H62 N2 O8 -","- C56 H62 N2 O8 -","- C168 H186 N6 O24 -","3","1","","Yamasaki, Yutaro; Sekiya, Ryo; Haino, Takeharu","Hexameric assembly of 5,17-di-substituted calix[4]arene in the solid state","CrystEngComm","2017","","","","","10.1039/C7CE01515A","","x-ray","0.71073","MoKα","","0.0418","0.037","","","0.092","0.0955","","","","","","1.062","","","","has coordinates,has disorder","202937","2020-10-21","18:00:00",""
"7229533","12.1088","0.0004","16.9597","0.0008","19.1362","0.0004","111.443","0.004","91.846","0.003","95.794","0.003","3629","0.2","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C56 H34 Cu2 N6 O14 -","- C56 H34 Cu2 N6 O14 -","- C112 H68 Cu4 N12 O28 -","2","1","","Xu, Fen; Kang, Wei-Fen; Wang, Xiao-Ning; Kou, Hao-Dong; Jin, Zhen; Liu, Chun-Sen","Synergic effect of copper-based metal‒organic frameworks for highly efficient C‒H activation of amidines","RSC Advances","2017","7","81","51658","","10.1039/C7RA10682C","","x-ray","1.54184","CuKα","","0.0891","0.0786","","","0.225","0.2442","","","","","","1.002","","","","has coordinates","202947","2020-10-21","18:00:00",""
"7229535","13.842","0.007","9.396","0.004","7.518","0.003","90","","119.209","0.009","90","","853.5","0.7","296","2","296","2","","","","","","","","3","C 1 2/c 1","-C 2yc","15","","","","- C10 H8 N2 -","- C10 H8 N2 -","- C40 H32 N8 -","4","0.5","","Wang, Wenmin; Sun, Xiaoyang; Qu, Jian; Xie, Xiaoyu; Qi, Zheng-Hang; Hong, Daocheng; Jing, Su; Zheng, Dong; Tian, Yuxi; Ma, Haibo; Yu, Shouyun; Ma, Jing","Aggregation-Induced Visible Light Absorption Makes Reactant 1,2-Diisocyanoarenes Acting as Photosensitizer in Double Radical Isocyanide Insertions","Physical Chemistry Chemical Physics","2017","","","","","10.1039/C7CP05936A","","","0.71073","MoKα","","0.0743","0.0543","","","0.1514","0.1645","","","","","","0.968","","","","has coordinates","202998","2020-10-21","18:00:00",""
"7229536","6.977","0.014","15.04","0.03","12.106","0.018","90","","123.82","","90","","1055","3","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C5 H12 Br3 Cd N -","- C5 H12 Br3 Cd N -","- C20 H48 Br12 Cd4 N4 -","4","1","","Sun, Xiao-Fen; Wang, Zhongxia; Liao, Wei-Qiang; Li, Peng-Fei; Gao, Jixing; Huang, Yi-Yang; Chen, Hai-Peng; Ye, Heng-Yun; Zhang, Yi","Modulating molecular structures and dielectric transitions in organic‒inorganic hybrid crystals","RSC Advances","2017","7","82","52024","","10.1039/C7RA10616E","","","0.71073","MoKα","","0.1602","0.1175","","","0.2981","0.3408","","","","","","1.092","","","","has coordinates","203000","2020-10-21","18:00:00",""
"7229537","15.322","0.004","7.0479","0.0014","10.105","0.004","90","","90","","90","","1091.2","0.6","293","2","293","2","","","","","","","","5","P n m a","-P 2ac 2n","62","","","","- C5 H12 Br3 Cd N -","- C5 H12 Br3 Cd N -","- C20 H48 Br12 Cd4 N4 -","4","0.5","","Sun, Xiao-Fen; Wang, Zhongxia; Liao, Wei-Qiang; Li, Peng-Fei; Gao, Jixing; Huang, Yi-Yang; Chen, Hai-Peng; Ye, Heng-Yun; Zhang, Yi","Modulating molecular structures and dielectric transitions in organic‒inorganic hybrid crystals","RSC Advances","2017","7","82","52024","","10.1039/C7RA10616E","","","0.71073","MoKα","","0.0927","0.0537","","","0.1085","0.1198","","","","","","1.041","","","","has coordinates","203000","2020-10-21","18:00:00",""
"7229538","15.553","0.012","15.553","0.012","7.117","0.008","90","","90","","120","","1491","2","343","2","343","2","","","","","","","","5","P -3","-P 3","147","","","","- C15 H36 Br7 Cd2 N3 -","- C15 H36 Br7 Cd2 N3 -","- C30 H72 Br14 Cd4 N6 -","2","0.333333","","Sun, Xiao-Fen; Wang, Zhongxia; Liao, Wei-Qiang; Li, Peng-Fei; Gao, Jixing; Huang, Yi-Yang; Chen, Hai-Peng; Ye, Heng-Yun; Zhang, Yi","Modulating molecular structures and dielectric transitions in organic‒inorganic hybrid crystals","RSC Advances","2017","7","82","52024","","10.1039/C7RA10616E","","","0.71073","MoKα","","0.0371","0.0338","","","0.0695","0.0709","","","","","","1.006","","","","has coordinates","203000","2020-10-21","18:00:00",""
"7229539","12.409","0.018","13.23","0.014","23.79","0.03","90","","90","","90","","3906","9","293","2","293","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C10 H24.05 Br4 Cd N2.05 -","- C10 H24.046 Br4 Cd N2.046 -","- C80 H192.368 Br32 Cd8 N16.368 -","8","1","","Sun, Xiao-Fen; Wang, Zhongxia; Liao, Wei-Qiang; Li, Peng-Fei; Gao, Jixing; Huang, Yi-Yang; Chen, Hai-Peng; Ye, Heng-Yun; Zhang, Yi","Modulating molecular structures and dielectric transitions in organic‒inorganic hybrid crystals","RSC Advances","2017","7","82","52024","","10.1039/C7RA10616E","","","0.71073","MoKα","","0.0966","0.0623","","","0.1358","0.1509","","","","","","1.105","","","","has coordinates,has disorder","203000","2020-10-21","18:00:00",""
"7229540","15.358","0.002","15.358","0.002","7.0766","0.0014","90","","90","","120","","1445.5","0.4","223","2","223","2","","","","","","","","5","P -3","-P 3","147","","","","- C15 H36 Br7 Cd2 N3 -","- C15 H36 Br7 Cd2 N3 -","- C30 H72 Br14 Cd4 N6 -","2","0.333333","","Sun, Xiao-Fen; Wang, Zhongxia; Liao, Wei-Qiang; Li, Peng-Fei; Gao, Jixing; Huang, Yi-Yang; Chen, Hai-Peng; Ye, Heng-Yun; Zhang, Yi","Modulating molecular structures and dielectric transitions in organic‒inorganic hybrid crystals","RSC Advances","2017","7","82","52024","","10.1039/C7RA10616E","","","0.71073","MoKα","","0.028","0.0268","","","0.0511","0.0515","","","","","","0.974","","","","has coordinates","203000","2020-10-21","18:00:00",""
"7229541","12.421","0.007","13.319","0.007","24.209","0.013","90","","90","","90","","4005","4","373","2","373","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C10 H24 Br4 Cd N2 -","- C10 H24 Br4 Cd N2 -","- C80 H192 Br32 Cd8 N16 -","8","1","","Sun, Xiao-Fen; Wang, Zhongxia; Liao, Wei-Qiang; Li, Peng-Fei; Gao, Jixing; Huang, Yi-Yang; Chen, Hai-Peng; Ye, Heng-Yun; Zhang, Yi","Modulating molecular structures and dielectric transitions in organic‒inorganic hybrid crystals","RSC Advances","2017","7","82","52024","","10.1039/C7RA10616E","","","0.71073","MoKα","","0.336","0.1483","","","0.2672","0.3489","","","","","","1.13","","","","has coordinates","203000","2020-10-21","18:00:00",""
"7229542","7.9615","0.0002","11.8938","0.0003","14.6343","0.0003","100.977","0.001","94.897","0.001","94.931","0.001","1348.02","0.06","173","2","173","2","","","","","","","","8","P -1","-P 1","2","","","","- C25 H28 Ag F6 N2 O2 P S2 -","- C25 H28 Ag F6 N2 O2 P S2 -","- C50 H56 Ag2 F12 N4 O4 P2 S4 -","2","1","","Seo, Sujin; Lee, Eunji; Ju, Huiyeong; Kim, Seulgi; Park, In-Hyeok; Jung, Jong Hwa; Lee, Shim Sung","Influence of mole-ratio on the coordination behaviour of a ditopic N2O2S2-macrocycle: endo/exocyclic silver(I) coordination polymer exhibiting desolvation-induced SCSC transformation","CrystEngComm","2017","","","","","10.1039/C7CE01540B","","","0.71073","MoKα","","0.0261","0.0239","","","0.0601","0.0615","","","","","","1.058","","","","has coordinates","203021","2020-10-21","18:00:00",""
"7229543","19.6427","0.0005","10.2297","0.0003","16.2","0.0004","90","","108.408","0.001","90","","3088.65","0.14","173","2","173","2","","","","","","","","8","P 1 21/c 1","-P 2ybc","14","","","","- C25 H28 Ag2 F12 N2 O2 P2 S2 -","- C25 H28 Ag2 F12 N2 O2 P2 S2 -","- C100 H112 Ag8 F48 N8 O8 P8 S8 -","4","1","","Seo, Sujin; Lee, Eunji; Ju, Huiyeong; Kim, Seulgi; Park, In-Hyeok; Jung, Jong Hwa; Lee, Shim Sung","Influence of mole-ratio on the coordination behaviour of a ditopic N2O2S2-macrocycle: endo/exocyclic silver(I) coordination polymer exhibiting desolvation-induced SCSC transformation","CrystEngComm","2017","","","","","10.1039/C7CE01540B","","","0.71073","MoKα","","0.0871","0.0771","","","0.2288","0.242","","","","","","1.061","","","","has coordinates,has disorder","203021","2020-10-21","18:00:00",""
"7229544","10.6576","0.0005","17.0361","0.0008","20.7041","0.0009","83.502","0.002","76.853","0.002","73.03","0.002","3496.8","0.3","173","2","173","2","","","","","","","","9","P -1","-P 1","2","","","","- C52 H60 Ag4 Cl4 F24 N4 O4 P4 S4 -","- C52 H60 Ag4 Cl4 F24 N4 O4 P4 S4 -","- C104 H120 Ag8 Cl8 F48 N8 O8 P8 S8 -","2","1","","Seo, Sujin; Lee, Eunji; Ju, Huiyeong; Kim, Seulgi; Park, In-Hyeok; Jung, Jong Hwa; Lee, Shim Sung","Influence of mole-ratio on the coordination behaviour of a ditopic N2O2S2-macrocycle: endo/exocyclic silver(I) coordination polymer exhibiting desolvation-induced SCSC transformation","CrystEngComm","2017","","","","","10.1039/C7CE01540B","","","0.71073","MoKα","","0.1157","0.073","","","0.1692","0.199","","","","","","1.018","","","","has coordinates,has disorder","203021","2020-10-21","18:00:00",""
"7229545","11.3999","0.0003","11.8133","0.0003","13.5392","0.0004","102.517","0.001","99.513","0.001","106.844","0.001","1652.09","0.08","293","2","293","2","","","","","","","","6","P -1","-P 1","2","","","","- C66 H68 Cd N14 O16 S4 -","- C66 H64 Cd N14 O14 S4 -","- C66 H64 Cd N14 O14 S4 -","1","0.5","","Singh, Neetu; Singh, Udai P.; Butcher, Ray J.","Luminescent sulfonate coordination polymers: synthesis, structural analysis and selective sensing of nitroaromatic compounds","CrystEngComm","2017","","","","","10.1039/C7CE01453H","","","0.71073","MoKα","","0.0778","0.0501","","","0.1382","0.1726","","","","","","1.017","","","","has coordinates","203095","2020-10-21","18:00:00",""
"7229546","9.6261","0.001","9.6647","0.0009","10.2254","0.001","81.045","0.005","87.123","0.005","85.792","0.005","936.45","0.16","293","2","293","2","","","","","","","","6","P -1","-P 1","2","","","","- C38 H38 Cd N6 O8 S2 -","- C38 H38 Cd N6 O8 S2 -","- C38 H38 Cd N6 O8 S2 -","1","0.5","","Singh, Neetu; Singh, Udai P.; Butcher, Ray J.","Luminescent sulfonate coordination polymers: synthesis, structural analysis and selective sensing of nitroaromatic compounds","CrystEngComm","2017","","","","","10.1039/C7CE01453H","","","0.71073","MoKα","","0.0685","0.0428","","","0.1225","0.151","","","","","","1.033","","","","has coordinates","203095","2020-10-21","18:00:00",""
"7229547","10.304","0.003","10.679","0.003","18.996","0.004","79.775","0.015","76.308","0.015","70.154","0.014","1899.4","0.9","100","2","100","2","","","","","","","","7","P -1","-P 1","2","","","","- C36 H37 Cd N6 Na O10 S -","- C36 H37 Cd N6 Na O10 S -","- C72 H74 Cd2 N12 Na2 O20 S2 -","2","1","","Singh, Neetu; Singh, Udai P.; Butcher, Ray J.","Luminescent sulfonate coordination polymers: synthesis, structural analysis and selective sensing of nitroaromatic compounds","CrystEngComm","2017","","","","","10.1039/C7CE01453H","","","0.71073","MoKα","","0.1054","0.0548","","","0.0943","0.1127","","","","","","0.985","","","","has coordinates,has disorder","203095","2020-10-21","18:00:00",""
"7229548","10.134","0.002","11.56","0.002","17.57","0.004","99.98","0.03","104","0.03","108.19","0.03","1826.9","0.9","100","2","100","2","","","","","","","","6","P -1","-P 1","2","","","","- C35 H32 Cd N5 O8 S2 -","- C35 H32 Cd N5 O8 S2 -","- C70 H64 Cd2 N10 O16 S4 -","2","1","","Singh, Neetu; Singh, Udai P.; Butcher, Ray J.","Luminescent sulfonate coordination polymers: synthesis, structural analysis and selective sensing of nitroaromatic compounds","CrystEngComm","2017","","","","","10.1039/C7CE01453H","","","0.71073","MoKα","","0.0985","0.0576","","","0.1431","0.1635","","","","","","0.929","","","","has coordinates,has disorder","203095","2020-10-21","18:00:00",""
"7229549","10.1841","0.0019","21.484","0.004","10.4012","0.0017","90","","100.3","0.006","90","","2239.1","0.7","296","2","296","2","","","","","","","","6","P 1 21/m 1","-P 2yb","11","","","","- C30 H17 N4 O7 S Zn -","- C32.614 H18 N4 O7 S Zn -","- C65.228 H36 N8 O14 S2 Zn2 -","2","0.5","","Singh, Neetu; Singh, Udai P.; Butcher, Ray J.","Luminescent sulfonate coordination polymers: synthesis, structural analysis and selective sensing of nitroaromatic compounds","CrystEngComm","2017","","","","","10.1039/C7CE01453H","","","0.71073","MoKα","","0.1155","0.0686","","","0.1569","0.1743","","","","","","1.061","","","","has coordinates,has disorder","203095","2020-10-21","18:00:00",""
"7229550","18.304","0.003","12.325","0.002","21.955","0.004","90","","107.923","0.007","90","","4712.6","1.4","100","2","100","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C46 H40 N7 O7 S2 Zn -","- C46 H40 N7 O7 S2 Zn -","- C184 H160 N28 O28 S8 Zn4 -","4","1","","Singh, Neetu; Singh, Udai P.; Butcher, Ray J.","Luminescent sulfonate coordination polymers: synthesis, structural analysis and selective sensing of nitroaromatic compounds","CrystEngComm","2017","","","","","10.1039/C7CE01453H","","","0.71073","MoKα","","0.0797","0.0439","","","0.1012","0.1194","","","","","","1.017","","","","has coordinates","203095","2020-10-21","18:00:00",""
"7229551","22.7003","0.0012","16.1285","0.0007","11.5653","0.0004","90","","116.89","0.003","90","","3776.5","0.3","293","2","293","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C32 H20 Cl Cu2 N6 O5 -","- C32 H20 Cl Cu2 N6 O5 -","- C128 H80 Cl4 Cu8 N24 O20 -","4","0.5","","li, bao; xiong, xin; zhou, liuyin; Cao, Wenjie; Yu, Fan; Liang, Jiyuan; Wang, Yazheng; Hu, Si-Qian","Metal-Organic Frameworks Based on Halogen-bridged Dinuclear-Cu-nodes as Promising Materials for High Performance Supercapacitor Electrodes","CrystEngComm","2017","","","","","10.1039/C7CE01840A","","","1.54178","CuKα","","0.0594","0.0509","","","0.1414","0.1475","","","","","","1.085","","","","has coordinates","203096","2020-10-21","18:00:00",""
"7229552","15.249","0.003","14.078","0.003","16.178","0.003","90","","117.2","0.03","90","","3089","1.3","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C32 H22 Cu N6 O5 -","- C32 H22 Cu N6 O5 -","- C128 H88 Cu4 N24 O20 -","4","1","","li, bao; xiong, xin; zhou, liuyin; Cao, Wenjie; Yu, Fan; Liang, Jiyuan; Wang, Yazheng; Hu, Si-Qian","Metal-Organic Frameworks Based on Halogen-bridged Dinuclear-Cu-nodes as Promising Materials for High Performance Supercapacitor Electrodes","CrystEngComm","2017","","","","","10.1039/C7CE01840A","","","0.71073","MoKα","","0.0507","0.0472","","","0.1383","0.1421","","","","","","1.043","","","","has coordinates","203096","2020-10-21","18:00:00",""
"7229553","22.6373","0.0015","16.3743","0.0012","11.5237","0.0007","90","","116.401","0.002","90","","3826","0.4","302","2","301.8","","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C32 H20 Br Cu2 N6 O5 -","- C32 H20 Br Cu2 N6 O5 -","- C128 H80 Br4 Cu8 N24 O20 -","4","0.5","","li, bao; xiong, xin; zhou, liuyin; Cao, Wenjie; Yu, Fan; Liang, Jiyuan; Wang, Yazheng; Hu, Si-Qian","Metal-Organic Frameworks Based on Halogen-bridged Dinuclear-Cu-nodes as Promising Materials for High Performance Supercapacitor Electrodes","CrystEngComm","2017","","","","","10.1039/C7CE01840A","","","0.71073","MoKα","","0.0723","0.0616","","","0.2013","0.2108","","","","","","1.116","","","","has coordinates","203096","2020-10-21","18:00:00",""
"7229554","17.64","0.004","33.509","0.002","16.6141","0.0017","90","","103.793","0.014","90","","9537","3","100","2","100","2","","","","","","","","5","C 1 2/m 1","-C 2y","12","","[Ni2.5(TCPP)(u-O)(H2O)2].nD","","- C96 H48 N8 Ni5 O21 -","- C96 H48 N8 Ni5 O21 -","- C192 H96 N16 Ni10 O42 -","2","0.25","","Amayuelas López, Eder; Fidalgo-Marijuan, Arkaitz; Bazán, Begoña; Urtiaga, Miren Karmele; Barandika, Gotzone; Arriortua, María Isabel","Highly thermally stable heterogeneous catalysts: study of 0D and 3D porphyrinic MOFs","CrystEngComm","2017","","","","","10.1039/C7CE01702B","","","1.54184","CuKα","","0.1627","0.0991","","","0.2522","0.2919","","","","","","0.952","","","","has coordinates","203140","2020-10-21","18:00:00",""
"7229555","17.6945","0.0011","11.4264","0.0007","14.1947","0.0009","90","","97.382","0.001","90","","2846.2","0.3","100","2","100","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C29 H37 Cl3 O6 -","- C29 H37 Cl3 O6 -","- C116 H148 Cl12 O24 -","4","1","","Kawahata, Masatoshi; Tominaga, Masahide; Maekawa, Yumi; Yamaguchi, Kentaro","Preparation and crystal structures of charge-transfer complexes of acyclic host molecules bearing pyrogallol derivatives with paraquat","CrystEngComm","2017","","","","","10.1039/C7CE01748K","","","0.71073","MoKα","","0.0403","0.0336","","","0.0814","0.0859","","","","","","1.057","","","","has coordinates","203141","2020-10-21","18:00:00",""
"7229556","9.6564","0.0011","13.3543","0.0015","14.3477","0.0016","67.011","0.004","76.108","0.004","80.955","0.004","1649.3","0.3","100","2","100","2","","","","","","","","6","P -1","-P 1","2","","","","- C34 H43 F6 N O6 P -","- C34 H43 F6 N O6 P -","- C68 H86 F12 N2 O12 P2 -","2","1","","Kawahata, Masatoshi; Tominaga, Masahide; Maekawa, Yumi; Yamaguchi, Kentaro","Preparation and crystal structures of charge-transfer complexes of acyclic host molecules bearing pyrogallol derivatives with paraquat","CrystEngComm","2017","","","","","10.1039/C7CE01748K","","","1.54178","CuKα","","0.0674","0.0613","","","0.2033","0.2094","","","","","","1.132","","","","has coordinates","203141","2020-10-21","18:00:00",""
"7229557","10.1729","0.0016","13.993","0.002","14.345","0.002","63.733","0.004","84.981","0.004","74.713","0.004","1765.4","0.5","100","2","100","2","","","","","","","","3","P -1","-P 1","2","","","","- C37.84 H49 O9.66 -","- C37.84 H49.006 O9.663 -","- C75.68 H98.012 O19.326 -","2","1","","Kawahata, Masatoshi; Tominaga, Masahide; Maekawa, Yumi; Yamaguchi, Kentaro","Preparation and crystal structures of charge-transfer complexes of acyclic host molecules bearing pyrogallol derivatives with paraquat","CrystEngComm","2017","","","","","10.1039/C7CE01748K","","","1.54178","CuKα","","0.0448","0.0421","","","0.1197","0.1237","","","","","","1.069","","","","has coordinates,has disorder","203141","2020-10-21","18:00:00",""
"7229558","9.6535","0.0016","12.475","0.002","18.922","0.003","83.815","0.006","84.842","0.006","76.722","0.006","2199.9","0.6","100","2","100","2","","","","","","","","6","P -1","-P 1","2","","","","- C45.31 H57.63 F6 N O9.77 P -","- C45.319 H57.638 F6 N O9.773 P -","- C90.638 H115.276 F12 N2 O19.546 P2 -","2","1","","Kawahata, Masatoshi; Tominaga, Masahide; Maekawa, Yumi; Yamaguchi, Kentaro","Preparation and crystal structures of charge-transfer complexes of acyclic host molecules bearing pyrogallol derivatives with paraquat","CrystEngComm","2017","","","","","10.1039/C7CE01748K","","","1.54178","CuKα","","0.0521","0.0434","","","0.1265","0.1361","","","","","","1.14","","","","has coordinates,has disorder","203141","2020-10-21","18:00:00",""
"7229559","10.6797","0.0002","11.1444","0.0002","13.1053","0.0002","99.8551","0.0008","103.208","0.0008","116.218","0.0007","1294.49","0.04","296","2","296","2","","","","","","","","6","P -1","-P 1","2","","","","- C27.5 H32 Cl Cu N2 O3.5 -","- C27.5 H32 Cl Cu N2 O3.5 -","- C55 H64 Cl2 Cu2 N4 O7 -","2","1","","Park, Da-Ae; Ryu, Ji Yeon; Lee, Junseong; Hong, Sukwon","Bifunctional N-heterocyclic carbene ligands for Cu-catalyzed direct C‒H carboxylation with CO2","RSC Advances","2017","7","83","52496","","10.1039/C7RA11414A","","","0.71073","MoKα","","0.0689","0.0481","","","0.1226","0.1329","","","","","","0.997","","","","has coordinates,has disorder","203146","2020-10-21","18:00:00",""
"7229560","9.967","0.0008","18.1432","0.0016","20.1268","0.0016","89.092","0.006","82.857","0.004","74.117","0.004","3472.8","0.5","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C25 H26 Cl Cu N2 -","- C25 H26 Cl Cu N2 -","- C150 H156 Cl6 Cu6 N12 -","6","3","","Park, Da-Ae; Ryu, Ji Yeon; Lee, Junseong; Hong, Sukwon","Bifunctional N-heterocyclic carbene ligands for Cu-catalyzed direct C‒H carboxylation with CO2","RSC Advances","2017","7","83","52496","","10.1039/C7RA11414A","","","0.71073","MoKα","","0.1252","0.0636","","","0.0872","0.1021","","","","","","1.068","","","","has coordinates,has disorder","203146","2020-10-21","18:00:00",""
"7229566","10.365","0.0002","15.4064","0.0003","28.5396","0.0005","90","","94.72","0.002","90","","4541.96","0.15","293","2","293","2","","","","","","","","5","P 1 21 1","P 2yb","4","Cd(Noxisph)~4~(DMF)~5~(H~2~O)","","","- C86 H88 Cd4 N10 O31 -","- C86 H88 Cd4 N10 O31 -","- C172 H176 Cd8 N20 O62 -","2","1","","Wang, Yi; Yang, Huan; Cheng, Gang; Wu, yunying; Lin, Shaomin","Tb(III)-functionalized a new layer-like Cd MOF as luminescent probe for highly selectively sensing Cr3+","CrystEngComm","2017","","","","","10.1039/C7CE01795B","","","0.71073","MoKα","","0.0597","0.0457","","","0.0917","0.0994","","","","","","1.047","","","","has coordinates","203222","2020-10-21","18:00:00",""
"7229567","25.641","0.0008","8.0045","0.0002","7.8006","0.0003","90","","98.534","0.003","90","","1583.29","0.09","100","2","100","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C14 H11 Cl4 N5 -","- C14 H11 Cl4 N5 -","- C56 H44 Cl16 N20 -","4","1","","McMorran, David; McKay, Aidan P.; Gordon, Keith; Shillito, Georgina E.","Cyclometallated Platinum(II) and Palladium(II) Complexes Containing 1,5-Diarylbiguanides: Synthesis, Characterisation and Hydrogen Bond-directed Assembly","CrystEngComm","2017","","","","","10.1039/C7CE01805C","","","1.54184","CuKα","","0.0409","0.0353","","","0.0872","0.0926","","","","","","1.074","","","","has coordinates","203223","2020-10-21","18:00:00",""
"7229568","27.8757","0.0008","15.985","0.005","8.737","0.0003","90","0.005","90","0.005","90","0.005","3893.1","1.2","100.01","0.01","100.01","0.01","","","","","","","","5","P 21 21 2","P 2 2ab","18","","","","- C39 H52 N8 O2 Pd -","- C39 H52 N8 O2 Pd -","- C156 H208 N32 O8 Pd4 -","4","1","","McMorran, David; McKay, Aidan P.; Gordon, Keith; Shillito, Georgina E.","Cyclometallated Platinum(II) and Palladium(II) Complexes Containing 1,5-Diarylbiguanides: Synthesis, Characterisation and Hydrogen Bond-directed Assembly","CrystEngComm","2017","","","","","10.1039/C7CE01805C","","","1.54184","CuKα","","0.0586","0.0558","","","0.1462","0.1527","","","","","","1.044","","","","has coordinates,has disorder","203223","2020-10-21","18:00:00",""
"7229569","10.6109","0.0003","12.3786","0.0003","13.1939","0.0004","79.325","0.002","77.329","0.003","73.188","0.003","1604.7","0.08","100","0.01","100","0.01","","","","","","","","5","P -1","-P 1","2","","","","- C35 H42 N6 O2 Pd -","- C35 H42 N6 O2 Pd -","- C70 H84 N12 O4 Pd2 -","2","1","","McMorran, David; McKay, Aidan P.; Gordon, Keith; Shillito, Georgina E.","Cyclometallated Platinum(II) and Palladium(II) Complexes Containing 1,5-Diarylbiguanides: Synthesis, Characterisation and Hydrogen Bond-directed Assembly","CrystEngComm","2017","","","","","10.1039/C7CE01805C","","","1.54184","CuKα","","0.0373","0.0368","","","0.1015","0.1023","","","","","","1.005","","","","has coordinates,has disorder","203223","2020-10-21","18:00:00",""
"7229570","9.0399","0.0002","11.2725","0.0002","18.7721","0.0004","90.099","0.002","103.059","0.002","90.617","0.002","1863.32","0.07","100","0.01","100","0.01","","","","","","","","5","P -1","-P 1","2","[[Pt(ppy)(diOMebigu)]:(4-dimethylaminonaphthalimide)]","","","- C43 H42 N8 O6 Pt -","- C43 H42 N8 O6 Pt -","- C86 H84 N16 O12 Pt2 -","2","1","","McMorran, David; McKay, Aidan P.; Gordon, Keith; Shillito, Georgina E.","Cyclometallated Platinum(II) and Palladium(II) Complexes Containing 1,5-Diarylbiguanides: Synthesis, Characterisation and Hydrogen Bond-directed Assembly","CrystEngComm","2017","","","","","10.1039/C7CE01805C","","","1.54184","CuKα","","0.0343","0.0334","","","0.0895","0.093","","","","","","1.088","","","","has coordinates,has disorder","203223","2020-10-21","18:00:00",""
"7229571","10.3997","0.0003","12.5486","0.0004","14.9232","0.0005","67.212","0.003","87.641","0.002","68.071","0.003","1653.34","0.11","100.01","0.01","100.01","0.01","","","","","","","","6","P -1","-P 1","2","","","","- C31 H32 Cl4 N8 O2 Pd -","- C31 H32 Cl4 N8 O2 Pd -","- C62 H64 Cl8 N16 O4 Pd2 -","2","1","","McMorran, David; McKay, Aidan P.; Gordon, Keith; Shillito, Georgina E.","Cyclometallated Platinum(II) and Palladium(II) Complexes Containing 1,5-Diarylbiguanides: Synthesis, Characterisation and Hydrogen Bond-directed Assembly","CrystEngComm","2017","","","","","10.1039/C7CE01805C","","","1.54184","CuKα","","0.0458","0.0451","","","0.1208","0.1238","","","","","","1.065","","","","has coordinates,has disorder","203223","2020-10-21","18:00:00",""
"7229572","13.6217","0.0004","33.0468","0.0009","7.813","0.0002","90","","99.978","0.003","90","","3463.85","0.17","100","0.01","100","0.01","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","[[Pt(ppy)(biguH)]:(barbitone)].CHCl3","","","- C34 H35 Cl3 N8 O3 Pt -","- C34 H35 Cl3 N8 O3 Pt -","- C136 H140 Cl12 N32 O12 Pt4 -","4","1","","McMorran, David; McKay, Aidan P.; Gordon, Keith; Shillito, Georgina E.","Cyclometallated Platinum(II) and Palladium(II) Complexes Containing 1,5-Diarylbiguanides: Synthesis, Characterisation and Hydrogen Bond-directed Assembly","CrystEngComm","2017","","","","","10.1039/C7CE01805C","","","1.54184","CuKα","","0.045","0.0378","","","0.0899","0.0957","","","","","","1.036","","","","has coordinates,has disorder","203223","2020-10-21","18:00:00",""
"7229573","7.3941","0.0002","14.4709","0.0002","15.6155","0.0003","116.54","0.002","92.067","0.002","90.431","0.002","1493.28","0.06","100","1","100","1","","","","","","","","6","P -1","-P 1","2","","","","- C31 H32 F4 N8 O2 Pd -","- C31 H32 F4 N8 O2 Pd -","- C62 H64 F8 N16 O4 Pd2 -","2","1","","McMorran, David; McKay, Aidan P.; Gordon, Keith; Shillito, Georgina E.","Cyclometallated Platinum(II) and Palladium(II) Complexes Containing 1,5-Diarylbiguanides: Synthesis, Characterisation and Hydrogen Bond-directed Assembly","CrystEngComm","2017","","","","","10.1039/C7CE01805C","","","1.54184","CuKα","","0.0341","0.0337","","","0.092","0.0951","","","","","","1.098","","","","has coordinates,has disorder","203223","2020-10-21","18:00:00",""
"7229574","36.4566","0.0009","13.9098","0.0002","21.6407","0.0003","90","","97.802","0.002","90","","10872.5","0.3","100","0.1","100","0.1","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C47.33 H50.33 Cl N8 O2 Pt -","- C47.33 H50.33 Cl0.99 N8 O2 Pt -","- C378.64 H402.64 Cl7.92 N64 O16 Pt8 -","8","1","","McMorran, David; McKay, Aidan P.; Gordon, Keith; Shillito, Georgina E.","Cyclometallated Platinum(II) and Palladium(II) Complexes Containing 1,5-Diarylbiguanides: Synthesis, Characterisation and Hydrogen Bond-directed Assembly","CrystEngComm","2017","","","","","10.1039/C7CE01805C","","","1.54184","CuKα","","0.063","0.0574","","","0.1643","0.17","","","","","","1.053","","","","has coordinates,has disorder","203223","2020-10-21","18:00:00",""
"7229575","7.1493","0.0002","11.5438","0.0002","17.1104","0.0003","90","","99.992","0.002","90","","1390.7","0.05","293","2","293","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C14 H11 F4 N5 -","- C14 H11 F4 N5 -","- C56 H44 F16 N20 -","4","1","","McMorran, David; McKay, Aidan P.; Gordon, Keith; Shillito, Georgina E.","Cyclometallated Platinum(II) and Palladium(II) Complexes Containing 1,5-Diarylbiguanides: Synthesis, Characterisation and Hydrogen Bond-directed Assembly","CrystEngComm","2017","","","","","10.1039/C7CE01805C","","","1.54184","CuKα","","0.0621","0.0492","","","0.1389","0.1417","","","","","","1.349","","","","has coordinates","203223","2020-10-21","18:00:00",""
"7229576","7.4546","0.0001","14.4536","0.0003","15.5267","0.0003","116.599","0.002","91.786","0.002","90.113","0.002","1494.91","0.05","100","0.1","100","0.1","","","","","","","","6","P -1","-P 1","2","","","","- C31 H32 F4 N8 O2 Pt -","- C31 H32 F4 N8 O2 Pt -","- C62 H64 F8 N16 O4 Pt2 -","2","1","","McMorran, David; McKay, Aidan P.; Gordon, Keith; Shillito, Georgina E.","Cyclometallated Platinum(II) and Palladium(II) Complexes Containing 1,5-Diarylbiguanides: Synthesis, Characterisation and Hydrogen Bond-directed Assembly","CrystEngComm","2017","","","","","10.1039/C7CE01805C","","","1.54184","CuKα","","0.0281","0.0267","","","0.0719","0.0801","","","","","","1.063","","","","has coordinates,has disorder","203223","2020-10-21","18:00:00",""
"7229577","8.2099","0.0016","11.009","0.002","11.794","0.002","112.878","0.002","106.277","0.002","97.836","0.002","905.8","0.3","293","2","293","2","","","","","","","","6","P -1","-P 1","2","","rac-3-chloro-5-hydroxy-1-(4-methylbenzyl)-4-[(4-methylphenyl)sulfanyl]-1,5-dihydro-2H-pyrrol-2-one","","- C19 H18 Cl N O2 S -","- C19 H18 Cl N O2 S -","- C38 H36 Cl2 N2 O4 S2 -","2","1","","Lodochnikova, Olga; Kosolapova, Liliya; Saifina, Alina; Gubaidullin, Aidar Timergalievich; Fayzullin, Robert R.; Ayrat, Khamatgalimov; Litvinov, Igor; Kurbangalieva, Almira","Structural aspects of partial solid solution formation: Two crystalline modifications of chiral derivative of 1,5-dihydro-2H-pyrrol-2-one under consideration","CrystEngComm","2017","","","","","10.1039/C7CE01717K","","x-ray","0.71073","MoKα","","0.1023","0.0549","","","0.1152","0.1357","","","","","","1.041","","","","has coordinates","203224","2020-10-21","18:00:00",""
"7229578","8.406","0.004","35.455","0.017","12.722","0.006","90","","106.65","0.007","90","","3633","3","293","2","293","2","","","","","","","","6","P 1 21 1","P 2yb","4","","rac-3-chloro-5-hydroxy-1-(4-methylbenzyl)-4-[(4-methylphenyl)sulfanyl]-1,5-dihydro-2H-pyrrol-2-one","","- C19 H18 Cl N O2 S -","- C19 H18 Cl N O2 S -","- C152 H144 Cl8 N8 O16 S8 -","8","4","","Lodochnikova, Olga; Kosolapova, Liliya; Saifina, Alina; Gubaidullin, Aidar Timergalievich; Fayzullin, Robert R.; Ayrat, Khamatgalimov; Litvinov, Igor; Kurbangalieva, Almira","Structural aspects of partial solid solution formation: Two crystalline modifications of chiral derivative of 1,5-dihydro-2H-pyrrol-2-one under consideration","CrystEngComm","2017","","","","","10.1039/C7CE01717K","","x-ray","0.71073","MoKα","","0.1648","0.0529","","","0.0909","0.1273","","","","","","0.951","","","","has coordinates,has disorder","203224","2020-10-21","18:00:00",""
"7229579","8.0999","0.001","10.997","0.0013","11.7661","0.0014","113.084","0.002","106.754","0.002","97.855","0.002","885.35","0.19","150","2","150","2","","","","","","","","6","P -1","-P 1","2","","rac-3-chloro-5-hydroxy-1-(4-methylbenzyl)-4-[(4-methylphenyl)sulfanyl]-1,5-dihydro-2H-pyrrol-2-one","","- C19 H18 Cl N O2 S -","- C19 H18 Cl N O2 S -","- C38 H36 Cl2 N2 O4 S2 -","2","1","","Lodochnikova, Olga; Kosolapova, Liliya; Saifina, Alina; Gubaidullin, Aidar Timergalievich; Fayzullin, Robert R.; Ayrat, Khamatgalimov; Litvinov, Igor; Kurbangalieva, Almira","Structural aspects of partial solid solution formation: Two crystalline modifications of chiral derivative of 1,5-dihydro-2H-pyrrol-2-one under consideration","CrystEngComm","2017","","","","","10.1039/C7CE01717K","","x-ray","0.71073","MoKα","","0.0412","0.035","","","0.0909","0.0952","","","","","","1.037","","","","has coordinates","203224","2020-10-21","18:00:00",""
"7229580","8.3442","0.0008","35.108","0.003","12.7373","0.0012","90","","107.155","0.001","90","","3565.4","0.6","150","2","150","2","","","","","","","","6","P 1 21 1","P 2yb","4","","rac-3-chloro-5-hydroxy-1-(4-methylbenzyl)-4-[(4-methylphenyl)sulfanyl]-1,5-dihydro-2H-pyrrol-2-one","","- C19 H18 Cl N O2 S -","- C19 H18 Cl N O2 S -","- C152 H144 Cl8 N8 O16 S8 -","8","4","","Lodochnikova, Olga; Kosolapova, Liliya; Saifina, Alina; Gubaidullin, Aidar Timergalievich; Fayzullin, Robert R.; Ayrat, Khamatgalimov; Litvinov, Igor; Kurbangalieva, Almira","Structural aspects of partial solid solution formation: Two crystalline modifications of chiral derivative of 1,5-dihydro-2H-pyrrol-2-one under consideration","CrystEngComm","2017","","","","","10.1039/C7CE01717K","","x-ray","0.71073","MoKα","","0.0991","0.0543","","","0.0936","0.1114","","","","","","1.018","","","","has coordinates,has disorder","203224","2020-10-21","18:00:00",""
"7229581","15.2479","0.0004","5.5541","0.0001","16.8079","0.0003","90","","95.501","0.002","90","","1416.88","0.05","292","2","292","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","(E)-1-phenyl-2-tosylethanone oxime","","- C15 H15 N O3 S -","- C15 H15 N O3 S -","- C60 H60 N4 O12 S4 -","4","1","","Wang, Bin; Tang, Lin; Liu, Liyan; Li, Yanan; Yu, Yang; Wang, Zhiyong","Base-mediated tandem sulfonylation and oximation of alkenes in water","Green Chemistry","2017","","","","","10.1039/C7GC03051G","","","1.54184","CuKα","","0.0407","0.0375","","","0.1044","0.1077","","","","","","1.048","","","","has coordinates","203227","2020-10-21","18:00:00",""
"7229582","16.213","0.012","19.359","0.014","12.323","0.009","90","","90.991","0.012","90","","3867","5","273","2","273","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C39 H32 Cu N3 O8 S3 -","- C39 H32 Cu N3 O8 S3 -","- C156 H128 Cu4 N12 O32 S12 -","4","1","","Guo, Xiangyang; Zeng, Le; Wang, Zhe; Zhang, Tiexin; He, Cheng; Duan, Chunying","Photocatalytic copper-catalyzed azide‒alkyne cycloaddition click reaction with Cu(ii) coordination polymer","RSC Advances","2017","7","83","52907","","10.1039/C7RA10207K","","","0.71073","MoKα","","0.2434","0.0802","","","0.1872","0.2835","","","","","","0.985","","","","has coordinates,has disorder","203231","2020-10-21","18:00:00",""
"7229583","16.581","0.002","15.248","0.002","15.9","0.002","90","","90","","90","","4020","0.9","150","2","150","2","","","","","","","","6","P n a 21","P 2c -2n","33","","","","- C36 H30 Cd Cl2 N6 O12 -","- C36 H30 Cd Cl2 N6 O12 -","- C144 H120 Cd4 Cl8 N24 O48 -","4","1","","Patil, Komal M.; Telfer, Shane; Moratti, Stephen; Qazvini, Omid T.; Hanton, Lyall R.","A Non-Interpenetrated Cu-based MOF Constructed from a Rediscovered Tetrahedral Ligand","CrystEngComm","2017","","","","","10.1039/C7CE01818E","","","0.71073","MoKα","","0.0427","0.0395","","","0.1008","0.1032","","","","","","1.073","","","","has coordinates","203243","2020-10-21","18:00:00",""
"7229584","14.686","0.005","14.686","0.005","26.103","0.009","90","","90","","90","","5630","3","100","0.2","100","0.2","","","","","","","","5","P 42/m m c","-P 4c 2","131","","","","- C40 H64 Cu N7 O12 -","- C19 H14 Cu O5 -","- C76 H56 Cu4 O20 -","4","0.25","","Patil, Komal M.; Telfer, Shane; Moratti, Stephen; Qazvini, Omid T.; Hanton, Lyall R.","A Non-Interpenetrated Cu-based MOF Constructed from a Rediscovered Tetrahedral Ligand","CrystEngComm","2017","","","","","10.1039/C7CE01818E","","x-ray","1.54184","CuKα","","0.3011","0.1642","","","0.4208","0.5026","","","","","","1.007","","","","has coordinates","203243","2020-10-21","18:00:00",""
"7229585","14.7093","0.0016","14.7093","0.0016","26.053","0.003","90","","90","","90","","5636.9","1.1","100","0.2","100","2","","","","","","","","4","P 42/m m c","-P 4c 2","131","","","","- C46 H69 Cu O14 -","- C19 H14 Cu O5 -","- C76 H56 Cu4 O20 -","4","0.25","","Patil, Komal M.; Telfer, Shane; Moratti, Stephen; Qazvini, Omid T.; Hanton, Lyall R.","A Non-Interpenetrated Cu-based MOF Constructed from a Rediscovered Tetrahedral Ligand","CrystEngComm","2017","","","","","10.1039/C7CE01818E","","x-ray","1.54184","CuKα","","0.1495","0.1241","","","0.3508","0.3808","","","","","","1.244","","","","has coordinates","203243","2020-10-21","18:00:00",""
"7229586","19.302","0.005","21.805","0.004","26.364","0.004","90","","90","","90","","11096","4","100","2","100","2","","","","","","","","5","C c c m","-C 2 2c","66","","","","- C26 H29 Cl14 Cu O5 -","- C19 H14 Cu O5 -","- C152 H112 Cu8 O40 -","8","0.5","","Patil, Komal M.; Telfer, Shane; Moratti, Stephen; Qazvini, Omid T.; Hanton, Lyall R.","A Non-Interpenetrated Cu-based MOF Constructed from a Rediscovered Tetrahedral Ligand","CrystEngComm","2017","","","","","10.1039/C7CE01818E","","x-ray","1.54184","CuKα","","0.2219","0.1329","","","0.3213","0.3615","","","","","","0.857","","","","has coordinates","203243","2020-10-21","18:00:00",""
"7229587","7.0629","0.0004","7.9863","0.0004","17.6846","0.0009","79.301","0.005","80.217","0.005","68.622","0.005","907.03","0.09","120","","120","","","","","","","","","5","P -1","-P 1","2","","","","- C12 H26 B2 N2 O9 -","- C12 H26 B2 N2 O9 -","- C24 H52 B4 N4 O18 -","2","1","","Perrin, Andrea; Goodwin, Melissa J.; Musa, Osama; Yufit, Dimitrii S.; Steed, Jonathan W.","Boric Acid Co-crystals in Guar Gelation","CrystEngComm","2017","","","","","10.1039/C7CE01858D","","","0.7107","MoKα","","0.0559","0.0397","","","0.0884","0.0965","","","","","","1.029","","","","has coordinates","203244","2020-10-21","18:00:00",""
"7229588","10.0731","0.0004","10.2343","0.0004","12.1312","0.0005","112.547","0.001","111.555","0.001","94.539","0.001","1038.42","0.07","120","","120","","","","","","","","","5","P -1","-P 1","2","","","","- C18 H28 B2 N2 O7 -","- C18 H28 B2 N2 O7 -","- C36 H56 B4 N4 O14 -","2","1","","Perrin, Andrea; Goodwin, Melissa J.; Musa, Osama; Yufit, Dimitrii S.; Steed, Jonathan W.","Boric Acid Co-crystals in Guar Gelation","CrystEngComm","2017","","","","","10.1039/C7CE01858D","","x-ray","0.71073","MoKα","","0.0684","0.0563","","","0.1559","0.1682","","","","","","1.064","","","","has coordinates,has disorder","203244","2020-10-21","18:00:00",""
"7229589","6.4207","0.0003","26.1612","0.0011","11.4892","0.0004","90","","93.522","0.004","90","","1926.23","0.14","120","","120","","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C18 H29 B N2 O5 -","- C18 H29 B N2 O5 -","- C72 H116 B4 N8 O20 -","4","1","","Perrin, Andrea; Goodwin, Melissa J.; Musa, Osama; Yufit, Dimitrii S.; Steed, Jonathan W.","Boric Acid Co-crystals in Guar Gelation","CrystEngComm","2017","","","","","10.1039/C7CE01858D","","","0.71073","MoKα","","0.1064","0.0594","","","0.1473","0.1791","","","","","","0.906","","","","has coordinates","203244","2020-10-21","18:00:00",""
"7229590","6.9008","0.0003","18.7679","0.0008","7.4385","0.0003","90","","111.334","0.0014","90","","897.37","0.07","120","","120","","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C6 H14 B N O4 -","- C6 H14 B N O4 -","- C24 H56 B4 N4 O16 -","4","1","","Perrin, Andrea; Goodwin, Melissa J.; Musa, Osama; Yufit, Dimitrii S.; Steed, Jonathan W.","Boric Acid Co-crystals in Guar Gelation","CrystEngComm","2017","","","","","10.1039/C7CE01858D","","x-ray","0.71073","MoKα","","0.0436","0.0342","","","0.0853","0.0903","","","","","","1.056","","","","has coordinates","203244","2020-10-21","18:00:00",""
"7229591","14.3765","0.0004","5.04525","0.00019","17.3563","0.0007","90","","90.695","0.003","90","","1258.81","0.08","120","","120","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C6 H7 B O3 -","- C6 H7 B O3 -","- C48 H56 B8 O24 -","8","2","","Perrin, Andrea; Goodwin, Melissa J.; Musa, Osama; Yufit, Dimitrii S.; Steed, Jonathan W.","Boric Acid Co-crystals in Guar Gelation","CrystEngComm","2017","","","","","10.1039/C7CE01858D","","","0.71073","MoKα","","0.0582","0.0438","","","0.1088","0.1255","","","","","","1.088","","","","has coordinates","203244","2020-10-21","18:00:00",""
"7229596","14.5865","0.0009","8.2327","0.0004","10.122","0.0005","90","","94.055","0.002","90","","1212.47","0.11","298","2","298","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","2-BPXG","","","- C24 H28 N6 O2 -","- C24 H28 N6 O2 -","- C48 H56 N12 O4 -","2","0.5","","Markad, Datta; Mandal, Sanjay K.","An exploration into the amide‒pseudo amide hydrogen bonding synthon between a new coformer with two primary amide groups and theophylline","CrystEngComm","2017","","","","","10.1039/C7CE01666B","","","0.71073","MoKα","","0.0716","0.0469","","","0.1356","0.1522","","","","","","1.05","","","","has coordinates","203315","2020-10-21","18:00:00",""
"7229597","9.536","0.016","11.74","0.02","12.81","0.02","96.84","0.02","93.49","0.02","94.57","0.02","1416","4","296","2","296","2","","","","","","","","4","P -1","-P 1","2","[(2bpxg.4THP)n]","","","- C52 H60 N22 O10 -","- C52 H60 N22 O10 -","- C52 H60 N22 O10 -","1","0.5","","Markad, Datta; Mandal, Sanjay K.","An exploration into the amide‒pseudo amide hydrogen bonding synthon between a new coformer with two primary amide groups and theophylline","CrystEngComm","2017","","","","","10.1039/C7CE01666B","","","0.71073","MoKα","","0.0941","0.0558","","","0.1535","0.1861","","","","","","1.089","","","","has coordinates","203315","2020-10-21","18:00:00",""
"7229598","3.6679","0.0007","10.1769","0.0019","17.203","0.003","90","","90","","90","","642.2","0.2","100","2","100.15","","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","4-nitro-o-phenylene-diamine","","- C6 H7 N3 O2 -","- C6 H7 N3 O2 -","- C24 H28 N12 O8 -","4","1","","Shishkina, Svitlana V.; Konovalova, Irina S.; Shishkin, Oleg. V.; Boyko, Alexander N.","Influence of substituents on the acceptor properties of the amino groups in the diaminobenzene analogues","CrystEngComm","2017","","","","","10.1039/C7CE01732D","","","0.71073","MoKα","","0.0448","0.0362","","","0.0842","0.087","","","","","","0.9029","","","","has coordinates","278046","2022-09-21","15:45:42",""
"7229599","9.3104","0.0005","10.7032","0.0004","21.2565","0.0012","86.197","0.004","78.5","0.004","88.333","0.003","2070.87","0.18","173","2","173","2","","","","","","","","8","P -1","-P 1","2","","","","- C82 H78 F12 N2 O P6 Pd2 S4 -","- C78 H68 F12 N2 P6 Pd2 S4 -","- C78 H68 F12 N2 P6 Pd2 S4 -","1","0.5","","Jantan, Khairil Anuar; Kwok, Chuek Yee; Chan, Kuang Wen; Marchiò, Luciano; White, Andrew J. P.; Deplano, Paola; Serpe, Angela; Wilton-Ely, James","From recovered metal waste to high-performance palladium catalysts","Green Chemistry","2017","","","","","10.1039/C7GC02678A","","","1.54184","CuKα","","0.0514","0.039","","","0.0964","0.1041","","","","","","1.024","","","","has coordinates,has disorder","203408","2020-10-21","18:00:00",""
"7229600","20.6104","0.0005","15.5218","0.0004","26.8129","0.0009","90","","107.289","0.003","90","","8190.2","0.4","173","2","173","2","","","","","","","","8","P 1 21/n 1","-P 2yn","14","","","","- C82 H78 F12 N2 O P6 Pd2 S4 -","- C82 H78 F12 N2 O P6 Pd2 S4 -","- C328 H312 F48 N8 O4 P24 Pd8 S16 -","4","1","","Jantan, Khairil Anuar; Kwok, Chuek Yee; Chan, Kuang Wen; Marchiò, Luciano; White, Andrew J. P.; Deplano, Paola; Serpe, Angela; Wilton-Ely, James","From recovered metal waste to high-performance palladium catalysts","Green Chemistry","2017","","","","","10.1039/C7GC02678A","","","0.71073","MoKα","","0.0697","0.0466","","","0.0969","0.1084","","","","","","1.039","","","","has coordinates,has disorder","203408","2020-10-21","18:00:00",""
"7229601","33.0045","0.0005","10.85381","0.00018","26.7343","0.0004","90","","106.511","0.0016","90","","9182","0.3","173","2","173","2","","","","","","","","8","I 1 a 1","I -2ya","9","","","","- C94 H88 F12 N2 O P6 Pd2 S4 -","- C90 H78 F12 N2 P6 Pd2 S4 -","- C360 H312 F48 N8 P24 Pd8 S16 -","4","1","","Jantan, Khairil Anuar; Kwok, Chuek Yee; Chan, Kuang Wen; Marchiò, Luciano; White, Andrew J. P.; Deplano, Paola; Serpe, Angela; Wilton-Ely, James","From recovered metal waste to high-performance palladium catalysts","Green Chemistry","2017","","","","","10.1039/C7GC02678A","","","1.54184","CuKα","","0.0402","0.0373","","","0.0954","0.0986","","","","","","1.041","","","","has coordinates","203408","2020-10-21","18:00:00",""
"7229602","10.9162","0.0002","10.9162","0.0002","19.1285","0.0004","90","","90","","90","","2279.42","0.08","150","","150","","","","","","","","","4","P 43","P 4cw","78","","","","- C24 H15 F9 N2 -","- C24 H15 F9.003 N2 -","- C96 H60 F36.012 N8 -","4","1","","Le Phuong, Hai Anh; Cseri, Levente; Whitehead, George F. S.; Garforth, Arthur; Budd, Peter; Szekely, Gyorgy","Environmentally benign and diastereoselective synthesis of 2,4,5-trisubstituted-2-imidazolines","RSC Advances","2017","7","84","53278","","10.1039/C7RA11827A","","x-ray","1.54184","CuKα","","0.0519","0.048","","","0.1231","0.1271","","","","","","1.049","","","","has coordinates,has disorder","203411","2020-10-21","18:00:00",""
"7229603","12.2146","0.0002","9.99845","0.00016","20.3665","0.0003","90","","91.4162","0.0015","90","","2486.54","0.07","150.01","0.1","150.01","0.1","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C21 H15 F15 N2 S3 -","- C21 H15 F15 N2 S3 -","- C84 H60 F60 N8 S12 -","4","1","","Le Phuong, Hai Anh; Cseri, Levente; Whitehead, George F. S.; Garforth, Arthur; Budd, Peter; Szekely, Gyorgy","Environmentally benign and diastereoselective synthesis of 2,4,5-trisubstituted-2-imidazolines","RSC Advances","2017","7","84","53278","","10.1039/C7RA11827A","","x-ray","0.71073","MoKα","","0.0426","0.0373","","","0.0929","0.0963","","","","","","1.054","","","","has coordinates","203411","2020-10-21","18:00:00",""
"7229604","10.0813","0.00017","20.649","0.0004","21.8088","0.0004","90","","90","","90","","4539.91","0.14","150.03","0.1","150.03","0.1","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C24 H15 F9 N2 -","- C24 H15 F9 N2 -","- C192 H120 F72 N16 -","8","1","","Le Phuong, Hai Anh; Cseri, Levente; Whitehead, George F. S.; Garforth, Arthur; Budd, Peter; Szekely, Gyorgy","Environmentally benign and diastereoselective synthesis of 2,4,5-trisubstituted-2-imidazolines","RSC Advances","2017","7","84","53278","","10.1039/C7RA11827A","","x-ray","1.54184","CuKα","","0.0793","0.0705","","","0.1874","0.1952","","","","","","1.058","","","","has coordinates,has disorder","203411","2020-10-21","18:00:00",""
"7229605","14.1338","0.0003","30.1549","0.0009","18.5852","0.0005","90","","91.647","0.002","90","","7917.8","0.4","199.99","0.1","199.99","0.1","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C30 H44 I3 N5 O2.5 -","- C30 H42 I3.002 N5 O2.5 -","- C240 H336 I24.016 N40 O20 -","8","2","","Le Phuong, Hai Anh; Cseri, Levente; Whitehead, George F. S.; Garforth, Arthur; Budd, Peter; Szekely, Gyorgy","Environmentally benign and diastereoselective synthesis of 2,4,5-trisubstituted-2-imidazolines","RSC Advances","2017","7","84","53278","","10.1039/C7RA11827A","","x-ray","0.71073","MoKα","","0.0909","0.0486","","","0.1347","0.1507","","","","","","1.054","","","","has coordinates","203411","2020-10-21","18:00:00",""
"7229606","12.3117","0.0007","20.284","0.0007","18.3956","0.0008","90","","109.325","0.0018","90","","4335.1","0.3","180","","180","","","","101","","","","","4","C 1 c 1","C -2yc","9","","","","- C44 H58 O4 S3 -","- C44 H58 O4 S3 -","- C176 H232 O16 S12 -","4","1","","Mikšátko, J.; Eigner, V.; Lhoták, P.","Unexpected cleavage of thiacalix[4]arene sulfoxides","RSC Advances","2017","7","84","53407","","10.1039/C7RA11218A","","","1.54178","CuKα","","0.0261","0.0259","","0.0697","0.0692","0.0697","","","","","","0.9702","","","","has coordinates,has disorder","203441","2020-10-21","18:00:00",""
"7229614","7.4889","0.0007","8.9633","0.0008","12.2743","0.0011","98.953","0.003","106.482","0.003","98.679","0.003","763.71","0.12","296","2","296","2","","","","","","","","4","P -1","-P 1","2","","","","- C16 H15 N3 O5 -","- C16 H15 N3 O5 -","- C32 H30 N6 O10 -","2","1","","Qiao, Kai; Yuan, Xin; Wan, Li; Zheng, Mingwei; Zhang, Dong; Fan, Bingbing; Di, Zhechen; Fang, Zheng; Guo, Kai","Highly efficient synthesis of β-nitrate ester carboxamides through the ring-opening of 2-oxazolines","Green Chemistry","2017","","","","","10.1039/C7GC02682J","","","0.71073","MoKα","","0.0803","0.0461","","","0.0917","0.1041","","","","","","1.051","","","","has coordinates","203474","2020-10-21","18:00:00",""
"7229615","14.133","0.002","8.6154","0.0013","16.031","0.002","90","","94.639","0.002","90","","1945.6","0.5","298.1","","298.1","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C23 H19 N O3 Pt -","- C23 H19 N O3 Pt -","- C92 H76 N4 O12 Pt4 -","4","1","","Okamura, Naoki; Maeda, Takeshi; Fujiwara, Hideki; Soman, Anjaly; Unni, K. N. Narayanan; Ajayaghosh, Ayyappanpillai; Yagi, Shigeyuki","Photokinetic study on remarkable excimer phosphorescence from heteroleptic cyclometalated platinum(ii) complexes bearing a benzoylated 2-phenylpyridinate ligand.","Physical chemistry chemical physics : PCCP","2017","20","1","542","552","10.1039/c7cp06944h","","","0.71075","MoKα","","","0.0339","","","","0.0369","","","","","","1.073","","","","has coordinates","230908","2020-10-21","18:00:00",""
"7229616","6.9367","0.0011","11.512","0.002","13.017","0.003","81.915","0.009","76.395","0.009","72.742","0.009","962","0.3","293.1","","293.1","","","","","","","","","6","P -1","-P 1","2","","","","- C23 H18 F N O3 Pt -","- C23 H18 F N O3 Pt -","- C46 H36 F2 N2 O6 Pt2 -","2","1","","Okamura, Naoki; Maeda, Takeshi; Fujiwara, Hideki; Soman, Anjaly; Unni, K. N. Narayanan; Ajayaghosh, Ayyappanpillai; Yagi, Shigeyuki","Photokinetic study on remarkable excimer phosphorescence from heteroleptic cyclometalated platinum(ii) complexes bearing a benzoylated 2-phenylpyridinate ligand.","Physical chemistry chemical physics : PCCP","2017","20","1","542","552","10.1039/c7cp06944h","","","0.71075","MoKα","","","0.0274","","","","0.0306","","","","","","1.061","","","","has coordinates","230908","2020-10-21","18:00:00",""
"7229617","11.922","0.003","12.312","0.002","14.055","0.003","90","","103.866","0.003","90","","2002.9","0.7","293.1","","293.1","","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C23 H17 F2 N O3 Pt -","- C23 H17 F2 N O3 Pt -","- C92 H68 F8 N4 O12 Pt4 -","4","1","","Okamura, Naoki; Maeda, Takeshi; Fujiwara, Hideki; Soman, Anjaly; Unni, K. N. Narayanan; Ajayaghosh, Ayyappanpillai; Yagi, Shigeyuki","Photokinetic study on remarkable excimer phosphorescence from heteroleptic cyclometalated platinum(ii) complexes bearing a benzoylated 2-phenylpyridinate ligand.","Physical chemistry chemical physics : PCCP","2017","20","1","542","552","10.1039/c7cp06944h","","","0.71075","MoKα","","","0.0353","","","","0.0431","","","","","","1.069","","","","has coordinates","230908","2020-10-21","18:00:00",""
"7229618","14.476","0.0011","6.3544","0.0005","14.6098","0.0012","90","","100.497","0.008","90","","1321.41","0.18","150","2","150","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C16 H16 N2 O -","- C16 H16 N2 O -","- C64 H64 N8 O4 -","4","1","","Cheng, Bin; Bao, Bian; Zu, Bing; Duan, Xiaoguang; Duan, Shengguo; Li, Yun; Zhai, Hongbin","Synthesis of spiro-3H-indazoles via 1,3-dipolar cycloaddition of arynes with 6-diazocyclohex-2-en-1-one derivatives and fused-2H-indazoles by subsequent rearrangement","RSC Advances","2017","7","85","54087","","10.1039/C7RA12117B","","x-ray","0.71073","MoKα","","0.098","0.0555","","","0.1061","0.1247","","","","","","1.094","","","","has coordinates","203570","2020-10-21","18:00:00",""
"7229626","13.0674","0.0008","13.2889","0.0006","35.945","0.002","90","","90","","90","","6241.9","0.6","145","2","145.15","","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C51 H75 Cl2 Mn4 N9 O18 -","- C51 H75 Cl2 Mn4 N9 O18 -","- C204 H300 Cl8 Mn16 N36 O72 -","4","1","","Wu, Changqiang; Yang, Li; Chen, Zhuzhong; Zhang, Houbing; Li, Danyang; Lin, Bingbing; Zhu, Jiang; Ai, Hua; Zhang, Xiaoming","Poly(ethylene glycol) modified Mn2+ complexes as contrast agents with a prolonged observation window in rat MRA","RSC Advances","2017","7","86","54603","","10.1039/C7RA09975D","","","0.71073","MoKα","","0.1192","0.0682","","","0.1033","0.1221","","","","","","0.992","","","","has coordinates","203754","2020-10-21","18:00:00",""
"7229627","14.0179","0.0019","27.727","0.004","14.0053","0.0019","90","","90","","90","","5443.5","1.3","296","2","296","2","","","","","","","","5","P 21 21 2","P 2 2ab","18","","","","- C62 H62 Cd4 N6 O22 -","- C62 H62 Cd4 N6 O22 -","- C124 H124 Cd8 N12 O44 -","2","0.5","","Wu, Wei-Ping; Wu, Jian; Liu, Jian-Qiang; Trivedi, Manoj; Kumar, Abhinav","Fabrication of a new metal‒organic framework for sensitive sensing of nitroaromatics and efficient dye adsorption","RSC Advances","2017","7","86","54522","","10.1039/C7RA11221A","","","0.71073","MoKα","","0.1278","0.0786","","","0.1879","0.2157","","","","","","1.074","","","","has coordinates,has disorder","203755","2020-10-21","18:00:00",""
"7229650","8.3685","0.0009","6.1721","0.0003","18.2702","0.0011","90","","95.727","0.001","90","","938.97","0.12","293","2","293","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C20 H22 N2 O4 S -","- C20 H22 N2 O4 S -","- C40 H44 N4 O8 S2 -","2","1","","Meng, Ling-Hong; Li, Xiao-Ming; Liu, Yang; Xu, Gang-Ming; Wang, Bin-Gui","Antimicrobial alkaloids produced by the mangrove endophyte Penicillium brocae MA-231 using the OSMAC approach","RSC Advances","2017","7","87","55026","","10.1039/C7RA12081H","","","1.54178","CuKα","","0.0891","0.0577","","","0.1148","0.1279","","","","","","1.043","","","","has coordinates,has disorder","203969","2020-10-21","18:00:00",""
"7229651","9.5217","0.0008","9.7711","0.0011","12.4273","0.001","90","","90","","90","","1156.2","0.19","293","2","293","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C13 H15 N O3 -","- C13 H15 N O3 -","- C52 H60 N4 O12 -","4","1","","Meng, Ling-Hong; Li, Xiao-Ming; Liu, Yang; Xu, Gang-Ming; Wang, Bin-Gui","Antimicrobial alkaloids produced by the mangrove endophyte Penicillium brocae MA-231 using the OSMAC approach","RSC Advances","2017","7","87","55026","","10.1039/C7RA12081H","","","1.54178","CuKα","","0.0483","0.0414","","","0.0981","0.1048","","","","","","1.01","","","","has coordinates","203969","2020-10-21","18:00:00",""
"7229652","8.2444","0.0004","9.9359","0.0004","11.8715","0.0006","90","","110.077","0.003","90","","913.37","0.08","293","2","293","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C20 H20 N2 O4 S -","- C20 H19 N2 O4 S -","- C40 H38 N4 O8 S2 -","2","1","","Meng, Ling-Hong; Li, Xiao-Ming; Liu, Yang; Xu, Gang-Ming; Wang, Bin-Gui","Antimicrobial alkaloids produced by the mangrove endophyte Penicillium brocae MA-231 using the OSMAC approach","RSC Advances","2017","7","87","55026","","10.1039/C7RA12081H","","","1.54178","CuKα","","0.0407","0.0388","","","0.1053","0.107","","","","","","1.061","","","","has coordinates","203969","2020-10-21","18:00:00",""
"7229653","5.6325","0.0005","7.9186","0.0007","10.9501","0.0009","88.389","0.002","83.823","0.001","87.401","0.002","484.92","0.07","293","2","293","2","","","","","","","","5","P 1","P 1","1","","","","- C18 H25 N O6 S -","- C18 H25 N O6 S -","- C18 H25 N O6 S -","1","1","","Meng, Ling-Hong; Li, Xiao-Ming; Liu, Yang; Xu, Gang-Ming; Wang, Bin-Gui","Antimicrobial alkaloids produced by the mangrove endophyte Penicillium brocae MA-231 using the OSMAC approach","RSC Advances","2017","7","87","55026","","10.1039/C7RA12081H","","","1.54178","CuKα","","0.0766","0.0604","","","0.1553","0.1779","","","","","","1.072","","","","has coordinates","203969","2020-10-21","18:00:00",""
"7229654","22.4157","0.0008","8.5771","0.0003","24.0509","0.0008","90","","114.281","0.004","90","","4215","0.3","293","2","293","2","","","","","","","","5","P 1 2/a 1","-P 2ya","13","","","","- C50 H52 Br2 N2 Ni -","- C50 H52 Br2 N2 Ni -","- C200 H208 Br8 N8 Ni4 -","4","1","","Sun, Jinlong; Wang, Fuzhou; Li, Weimin; Chen, Min","Ligand steric effects on α-diimine nickel catalyzed ethylene and 1-hexene polymerization","RSC Advances","2017","7","87","55051","","10.1039/C7RA11783C","","","1.5418","CuKα","","0.1146","0.0823","","","0.1875","0.2022","","","","","","1.26","","","","has coordinates","203970","2020-10-21","18:00:00",""
"7229655","9.1819","0.0009","23.1568","0.0019","19.0157","0.0016","90","","101.497","0.003","90","","3962.1","0.6","298","2","298","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","(MeN?N)NiBr2","","- C45 H42 Br2 N2 Ni -","- C45 H42 Br2 N2 Ni -","- C180 H168 Br8 N8 Ni4 -","4","1","","Sun, Jinlong; Wang, Fuzhou; Li, Weimin; Chen, Min","Ligand steric effects on α-diimine nickel catalyzed ethylene and 1-hexene polymerization","RSC Advances","2017","7","87","55051","","10.1039/C7RA11783C","","","0.71073","MoKα","","0.2249","0.1136","","","0.2199","0.2418","","","","","","1.098","","","","has coordinates","203970","2020-10-21","18:00:00",""
"7229656","25.465","0.002","17.0368","0.0017","22.342","0.002","90","","115.936","0.004","90","","8716.7","1.4","298","2","298","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","(i-PrN?N)NiBr2","","- C49 H49 Br2 N2 Ni -","- C49 H49 Br2 N2 Ni -","- C392 H392 Br16 N16 Ni8 -","8","2","","Sun, Jinlong; Wang, Fuzhou; Li, Weimin; Chen, Min","Ligand steric effects on α-diimine nickel catalyzed ethylene and 1-hexene polymerization","RSC Advances","2017","7","87","55051","","10.1039/C7RA11783C","","","0.71073","MoKα","","0.1844","0.1324","","","0.3405","0.377","","","","","","1.132","","","","has coordinates","203970","2020-10-21","18:00:00",""
"7229657","5.7063","0.0004","8.4245","0.0006","25.6881","0.0019","90","","93.229","0.002","90","","1232.94","0.15","100","2","100","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C16 H12 N2 O2 -","- C16 H12 N2 O2 -","- C64 H48 N8 O8 -","4","1","","Gosavi-Mirkute, Prajkta; Patil, Amit; Lande, Dipali N.; Chakravarty, Debamitra; Gejji, Shridhar P.; Satpute, Surekha; Salunke-Gawali, Sunita","Naphthoquinone based chemosensors for transition metal ions: experiment and theory","RSC Advances","2017","7","87","55163","","10.1039/C7RA10490A","","","0.71073","MoKα","","0.0445","0.0393","","","0.1039","0.1079","","","","","","1.032","","","","has coordinates","203971","2020-10-21","18:00:00",""
"7229658","5.4069","0.0005","8.0971","0.0007","29.735","0.003","92.338","0.004","91.024","0.004","98.992","0.004","1284.3","0.2","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","","","- C16 H13 N O2 S -","- C16 H13 N O2 S -","- C64 H52 N4 O8 S4 -","4","2","","Gosavi-Mirkute, Prajkta; Patil, Amit; Lande, Dipali N.; Chakravarty, Debamitra; Gejji, Shridhar P.; Satpute, Surekha; Salunke-Gawali, Sunita","Naphthoquinone based chemosensors for transition metal ions: experiment and theory","RSC Advances","2017","7","87","55163","","10.1039/C7RA10490A","","","0.71073","MoKα","","0.1233","0.0926","","","0.2044","0.2187","","","","","","1.155","","","","has coordinates","203971","2020-10-21","18:00:00",""
"7229659","5.4","0.0004","30.026","0.002","8.0578","0.0006","90","","99.278","0.002","90","","1289.4","0.16","100","2","100","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C17 H14 N2 O2 -","- C17 H14 N2 O2 -","- C68 H56 N8 O8 -","4","1","","Gosavi-Mirkute, Prajkta; Patil, Amit; Lande, Dipali N.; Chakravarty, Debamitra; Gejji, Shridhar P.; Satpute, Surekha; Salunke-Gawali, Sunita","Naphthoquinone based chemosensors for transition metal ions: experiment and theory","RSC Advances","2017","7","87","55163","","10.1039/C7RA10490A","","","0.71073","MoKα","","0.0807","0.0634","","","0.1569","0.1659","","","","","","1.226","","","","has coordinates","203971","2020-10-21","18:00:00",""
"7229661","7.9332","0.0014","10.9116","0.0018","12.9665","0.0019","96.881","0.004","92.036","0.002","109.013","0.005","1050.2","0.3","113","","113","","","","","","","","","5","P -1","-P 1","2","","","","- C24 H22 Cl N3 O2 -","- C23.998 H21.996 Cl N3 O2 -","- C47.996 H43.992 Cl2 N6 O4 -","2","1","","Zhao, Hong-Wu; Zhao, Yu-Di; Liu, Yue-Yang; Zhao, Li-Jiao; Song, Xiu-Qing; Chen, Xiao-Qin; Pang, Hai-Liang; Du, Juan; Feng, Ning-Ning","1,3-Dipolar [3 + 3] cycloaddition of α-halohydroxamate-based azaoxyallyl cations with hydrazonoyl chloride-derived nitrile imines","RSC Advances","2017","7","87","55106","","10.1039/C7RA09766B","","","0.71073","MoKα","","0.0399","0.0334","","","0.0867","0.0905","","","","","","1.027","","","","has coordinates,has disorder","204019","2020-10-21","18:00:00",""
"7229670","18.672","0.006","19.068","0.006","28.995","0.009","81.025","0.004","78.083","0.004","73.649","0.004","9639","5","296","2","296","2","","","","","","","","8","P -1","-P 1","2","","","","- C44 H104 Co4.5 N28 Na2 O138 P5 W30 -","- C44 H60 Co4.5 N28 Na2 O138 P5 W30 -","- C88 H120 Co9 N56 Na4 O276 P10 W60 -","2","1","","Shi, Jie; Xiong, Yao; Zhou, MengJie; Chen, Lu; Xu, Yan","Two hybrid polyoxometalates constructed from Preyssler P5W30 clusters and Schiff base exhibiting interesting third-order NLO properties","RSC Advances","2017","7","87","55427","","10.1039/C7RA12165B","","","0.71073","MoKα","","0.0963","0.0691","","","0.1808","0.1946","","","","","","1.077","","","","has coordinates,has disorder","204070","2020-10-21","18:00:00",""
"7229671","18.523","0.004","19.013","0.004","28.923","0.006","80.663","0.003","79.162","0.003","74.784","0.003","9585","4","296","2","296","2","","","","","","","","8","P -1","-P 1","2","","","","- C88 H204 Mn9 N56 Na6 O275 P10 W60 -","- C88 H120 Mn9 N56 Na6 O275 P10 W60 -","- C88 H120 Mn9 N56 Na6 O275 P10 W60 -","1","0.5","","Shi, Jie; Xiong, Yao; Zhou, MengJie; Chen, Lu; Xu, Yan","Two hybrid polyoxometalates constructed from Preyssler P5W30 clusters and Schiff base exhibiting interesting third-order NLO properties","RSC Advances","2017","7","87","55427","","10.1039/C7RA12165B","","","0.71073","MoKα","","0.0974","0.0623","","","0.1594","0.1799","","","","","","1.036","","","","has coordinates,has disorder","287753","2023-11-23","09:34:45",""
"7229672","16.0344","0.0017","19.862","0.002","20.309","0.002","76.952","0.004","72.697","0.004","86.957","0.004","6015.1","1.1","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C122 H108 Gd4 N12 O22 -","- C122 H108 Gd4 N12 O22 -","- C244 H216 Gd8 N24 O44 -","2","1","","Zhang, Ya-Xin; Li, Meng; Liu, Bi-Ying; Wu, Zhi-Lei; Wei, Hai-Ying; Wang, Wen-Min","A series of planar tetranuclear lanthanide complexes: axial ligand modulated magnetic dynamics in Dy4 species","RSC Advances","2017","7","87","55523","","10.1039/C7RA11750G","","","0.71073","MoKα","","0.1229","0.0647","","","0.1339","0.1562","","","","","","1.022","","","","has coordinates","204071","2020-10-21","18:00:00",""
"7229673","14.9356","0.0012","15.9841","0.0009","17.9763","0.0012","67.916","0.008","74.027","0.01","71.695","0.009","3714.8","0.5","113","2","113.15","","","","","","","","","5","P -1","-P 1","2","","","","- C154 H174 Gd4 N14 O24 -","- C154 H174 Gd4 N14 O24 -","- C154 H174 Gd4 N14 O24 -","1","0.5","","Zhang, Ya-Xin; Li, Meng; Liu, Bi-Ying; Wu, Zhi-Lei; Wei, Hai-Ying; Wang, Wen-Min","A series of planar tetranuclear lanthanide complexes: axial ligand modulated magnetic dynamics in Dy4 species","RSC Advances","2017","7","87","55523","","10.1039/C7RA11750G","","","0.71073","MoKα","","0.0402","0.0299","","","0.0676","0.0725","","","","","","1.08","","","","has coordinates,has disorder","204071","2020-10-21","18:00:00",""
"7229674","14.9673","0.0006","15.987","0.0006","17.9639","0.0008","67.936","0.004","74.001","0.006","71.656","0.005","3720.2","0.3","113","","113","","","","","","","","","5","P -1","-P 1","2","","","","- C154 H174 N14 O24 Tb4 -","- C154 H174 N14 O24 Tb4 -","- C154 H174 N14 O24 Tb4 -","1","0.5","","Zhang, Ya-Xin; Li, Meng; Liu, Bi-Ying; Wu, Zhi-Lei; Wei, Hai-Ying; Wang, Wen-Min","A series of planar tetranuclear lanthanide complexes: axial ligand modulated magnetic dynamics in Dy4 species","RSC Advances","2017","7","87","55523","","10.1039/C7RA11750G","","","0.71073","MoKα","","0.0331","0.0292","","","0.0772","0.0821","","","","","","1.056","","","","has coordinates,has disorder","204071","2020-10-21","18:00:00",""
"7229675","15.8898","0.0009","19.6837","0.0012","20.3485","0.0009","76.789","0.003","73.047","0.003","87.924","0.004","5923.6","0.6","113","2","113.15","","","","","","","","","5","P -1","-P 1","2","","","","- C127 H115.5 Dy4 N14.5 O22 -","- C127 H115.5 Dy4 N14.5 O22 -","- C254 H231 Dy8 N29 O44 -","2","1","","Zhang, Ya-Xin; Li, Meng; Liu, Bi-Ying; Wu, Zhi-Lei; Wei, Hai-Ying; Wang, Wen-Min","A series of planar tetranuclear lanthanide complexes: axial ligand modulated magnetic dynamics in Dy4 species","RSC Advances","2017","7","87","55523","","10.1039/C7RA11750G","","","0.71073","MoKα","","0.0332","0.027","","","0.0731","0.0755","","","","","","1.021","","","","has coordinates,has disorder","204071","2020-10-21","18:00:00",""
"7229676","17.423","0.003","13.94","0.002","30.573","0.006","90","","103.736","0.004","90","","7213","2","386","2","386.3","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C150 H128 Dy4 N16 O22 -","- C150 H128 Dy4 N16 O22 -","- C300 H256 Dy8 N32 O44 -","2","0.5","","Zhang, Ya-Xin; Li, Meng; Liu, Bi-Ying; Wu, Zhi-Lei; Wei, Hai-Ying; Wang, Wen-Min","A series of planar tetranuclear lanthanide complexes: axial ligand modulated magnetic dynamics in Dy4 species","RSC Advances","2017","7","87","55523","","10.1039/C7RA11750G","","","0.71073","MoKα","","0.1318","0.0885","","","0.2182","0.2415","","","","","","1.039","","","","has coordinates","204071","2020-10-21","18:00:00",""
"7229677","15.0463","0.0005","15.9891","0.0006","17.9493","0.0006","68.081","0.001","73.999","0.001","71.297","0.001","3734.3","0.2","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C154 H168 Dy4 N16 O22 -","- C154 H168 Dy4 N16 O22 -","- C154 H168 Dy4 N16 O22 -","1","0.5","","Zhang, Ya-Xin; Li, Meng; Liu, Bi-Ying; Wu, Zhi-Lei; Wei, Hai-Ying; Wang, Wen-Min","A series of planar tetranuclear lanthanide complexes: axial ligand modulated magnetic dynamics in Dy4 species","RSC Advances","2017","7","87","55523","","10.1039/C7RA11750G","","","0.71073","MoKα","","0.0452","0.0362","","","0.0949","0.1025","","","","","","1.025","","","","has coordinates,has disorder","204071","2020-10-21","18:00:00",""
"7229678","16.0223","0.0006","19.7955","0.0007","20.3368","0.0007","76.806","0.001","72.987","0.001","87.59","0.001","6003","0.4","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C127 H115.5 Ho4 N14.5 O22 -","- C127 H115.5 Ho4 N14.5 O22 -","- C254 H231 Ho8 N29 O44 -","2","1","","Zhang, Ya-Xin; Li, Meng; Liu, Bi-Ying; Wu, Zhi-Lei; Wei, Hai-Ying; Wang, Wen-Min","A series of planar tetranuclear lanthanide complexes: axial ligand modulated magnetic dynamics in Dy4 species","RSC Advances","2017","7","87","55523","","10.1039/C7RA11750G","","","0.71073","MoKα","","0.0956","0.0516","","","0.0904","0.1102","","","","","","1.032","","","","has coordinates","204071","2020-10-21","18:00:00",""
"7229679","14.9764","0.0008","16.033","0.0008","17.9785","0.001","67.916","0.004","74.079","0.005","71.793","0.004","3739.1","0.4","113","","113","","","","","","","","","5","P -1","-P 1","2","","","","- C154 H174 Eu4 N14 O24 -","- C154 H174 Eu4 N14 O24 -","- C154 H174 Eu4 N14 O24 -","1","0.5","","Zhang, Ya-Xin; Li, Meng; Liu, Bi-Ying; Wu, Zhi-Lei; Wei, Hai-Ying; Wang, Wen-Min","A series of planar tetranuclear lanthanide complexes: axial ligand modulated magnetic dynamics in Dy4 species","RSC Advances","2017","7","87","55523","","10.1039/C7RA11750G","","","0.71073","MoKα","","0.0316","0.0277","","","0.0687","0.071","","","","","","1.051","","","","has coordinates,has disorder","204071","2020-10-21","18:00:00",""
"7229680","15.9945","0.0006","19.7881","0.0006","20.2867","0.0007","76.919","0.001","72.804","0.001","87.373","0.001","5973","0.4","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C127 H115.5 N14.5 O22 Yb4 -","- C127 H115.5 N14.5 O22 Yb4 -","- C254 H231 N29 O44 Yb8 -","2","1","","Zhang, Ya-Xin; Li, Meng; Liu, Bi-Ying; Wu, Zhi-Lei; Wei, Hai-Ying; Wang, Wen-Min","A series of planar tetranuclear lanthanide complexes: axial ligand modulated magnetic dynamics in Dy4 species","RSC Advances","2017","7","87","55523","","10.1039/C7RA11750G","","","0.71073","MoKα","","0.0921","0.0473","","","0.099","0.1228","","","","","","1.028","","","","has coordinates","204071","2020-10-21","18:00:00",""
"7229681","16.038","0.0006","19.7829","0.0008","20.3633","0.0008","76.708","0.001","73.048","0.001","87.716","0.001","6012","0.4","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C124 H111 N13 O22 Tb4 -","- C124 H111 N13 O22 Tb4 -","- C248 H222 N26 O44 Tb8 -","2","1","","Zhang, Ya-Xin; Li, Meng; Liu, Bi-Ying; Wu, Zhi-Lei; Wei, Hai-Ying; Wang, Wen-Min","A series of planar tetranuclear lanthanide complexes: axial ligand modulated magnetic dynamics in Dy4 species","RSC Advances","2017","7","87","55523","","10.1039/C7RA11750G","","","0.71073","MoKα","","0.0466","0.0369","","","0.0768","0.0811","","","","","","1.034","","","","has coordinates","204071","2020-10-21","18:00:00",""
"7229704","17.671","0.002","11.6716","0.0011","18.446","0.002","90","","103.739","0.002","90","","3695.6","0.7","113","2","113.15","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C50 H38 B F2 N3 -","- C50 H38 B F2 N3 -","- C200 H152 B4 F8 N12 -","4","1","","Zhu, Li; Xie, Wensheng; Zhao, Lingyun; Zhang, Yongjie; Chen, Zhijian","Tetraphenylethylene- and fluorene-functionalized near-infrared aza-BODIPY dyes for living cell imaging","RSC Advances","2017","7","88","55839","","10.1039/C7RA10820F","","","0.71073","MoKα","","0.0517","0.0375","","","0.093","0.1006","","","","","","0.996","","","","has coordinates","204182","2020-10-21","18:00:00",""
"7229709","9.2512","0.0012","9.2512","0.0012","14.504","0.005","90","","90","","120","","1075","0.4","293","2","293","2","","","","","","","","6","P 63 2 2","P 6c 2c","182","","","","- C6 H24 Ag2 Cd I4 N6 -","- C6 H24 Ag2 Cd I4 N6 -","- C12 H48 Ag4 Cd2 I8 N12 -","2","0.166667","","Yu, Shan-Shan; Liu, Shao-Xian; Zhu, Yi-Xiao; Duan, Hai-Bao; Zhang, H.","Relaxor-like and switchable dielectric behavior in a rare noncentrosymmetric 3D iodoargentate hybrid","RSC Advances","2017","7","89","56153","","10.1039/C7RA11033B","","","0.71073","MoKα","","0.0483","0.0468","","","0.105","0.1064","","","","","","1.228","","","","has coordinates","204213","2020-10-21","18:00:00",""
"7229710","13.022","0.008","9.483","0.006","21.773","0.013","90","","93.312","0.007","90","","2684","3","150","2","150","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C37 H25 N3 S -","- C37 H25 N3 S -","- C148 H100 N12 S4 -","4","1","","Karimata, Ayumu; Suzuki, Shuichi; Kozaki, Masatoshi; Okada, Keiji","Stereoelectronic control of oxidation potentials of 3,7-bis(diarylamino)phenothiazines","RSC Advances","2017","7","88","56144","","10.1039/C7RA12600J","","","0.71075","MoKα","","","0.0502","","","","0.0704","","","","","","1.341","","","","has coordinates","204214","2020-10-21","18:00:00",""
"7229711","18.0621","0.0012","21.7543","0.0011","18.1682","0.0013","90","","108.862","0.003","90","","6755.4","0.8","150","","150","","","","","","","","","7","P 1 n 1","P -2yac","7","","","","- C37.25 H29.5 Cl0.5 F6 N3 S Sb -","- C37.25 H29.5 Cl0.5 F6 N3 S Sb -","- C298 H236 Cl4 F48 N24 S8 Sb8 -","8","4","","Karimata, Ayumu; Suzuki, Shuichi; Kozaki, Masatoshi; Okada, Keiji","Stereoelectronic control of oxidation potentials of 3,7-bis(diarylamino)phenothiazines","RSC Advances","2017","7","88","56144","","10.1039/C7RA12600J","","","0.71075","MoKα","","","0.062","","","","0.1491","","","","","","1.218","","","","has coordinates","204214","2020-10-21","18:00:00",""
"7229712","14.182","0.011","13.573","0.011","18.17","0.015","90","","96.605","0.008","90","","3474","5","150","2","150","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C47 H37 N3 S -","- C47 H37 N3 S -","- C188 H148 N12 S4 -","4","1","","Karimata, Ayumu; Suzuki, Shuichi; Kozaki, Masatoshi; Okada, Keiji","Stereoelectronic control of oxidation potentials of 3,7-bis(diarylamino)phenothiazines","RSC Advances","2017","7","88","56144","","10.1039/C7RA12600J","","","0.71075","MoKα","","","0.0549","","","","0.1427","","","","","","1.313","","","","has coordinates","204214","2020-10-21","18:00:00",""
"7229713","43.28","0.02","12.154","0.005","33.65","0.016","90","","115.783","0.008","90","","15939","12","150","2","150","2","","","","","","","","7","C 1 2/c 1","-C 2yc","15","","","","- C45.25 H36.25 Cl0.75 F6 N3 S Sb -","- C45.25 H36.25 Cl0.75 F6 N3 S Sb -","- C724 H580 Cl12 F96 N48 S16 Sb16 -","16","2","","Karimata, Ayumu; Suzuki, Shuichi; Kozaki, Masatoshi; Okada, Keiji","Stereoelectronic control of oxidation potentials of 3,7-bis(diarylamino)phenothiazines","RSC Advances","2017","7","88","56144","","10.1039/C7RA12600J","","","0.71075","MoKα","","","0.0754","","","","0.1902","","","","","","1.669","","","","has coordinates","204214","2020-10-21","18:00:00",""
"7229714","18.942","0.016","7.309","0.005","23.453","0.019","90","","111.966","0.01","90","","3011","4","150","2","150","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C41 H29 N3 S -","- C41 H29 N3 S -","- C164 H116 N12 S4 -","4","1","","Karimata, Ayumu; Suzuki, Shuichi; Kozaki, Masatoshi; Okada, Keiji","Stereoelectronic control of oxidation potentials of 3,7-bis(diarylamino)phenothiazines","RSC Advances","2017","7","88","56144","","10.1039/C7RA12600J","","","0.71075","MoKα","","","0.082","","","","0.2144","","","","","","1.839","","","","has coordinates","204214","2020-10-21","18:00:00",""
"7229715","13.5112","0.0009","7.4584","0.0004","35.454","0.003","90","","92.068","0.004","90","","3570.4","0.4","150","2","150","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C42 H31 F6 N4 S Sb -","- C42 H31 F6 N4 S Sb -","- C168 H124 F24 N16 S4 Sb4 -","4","1","","Karimata, Ayumu; Suzuki, Shuichi; Kozaki, Masatoshi; Okada, Keiji","Stereoelectronic control of oxidation potentials of 3,7-bis(diarylamino)phenothiazines","RSC Advances","2017","7","88","56144","","10.1039/C7RA12600J","","","0.71075","MoKα","","","0.037","","","","0.1243","","","","","","0.894","","","","has coordinates","204214","2020-10-21","18:00:00",""
"7229716","28.24","0.03","20.01","0.02","5.663","0.006","90","","90","","90","","3200","6","200","","200","","","","","","","","","5","P n m a","-P 2ac 2n","62","","","","- C41 H33 N3 O3 S -","- C41 H25 N3 O3 S -","- C164 H100 N12 O12 S4 -","4","0.5","","Karimata, Ayumu; Suzuki, Shuichi; Kozaki, Masatoshi; Okada, Keiji","Stereoelectronic control of oxidation potentials of 3,7-bis(diarylamino)phenothiazines","RSC Advances","2017","7","88","56144","","10.1039/C7RA12600J","","","0.71075","MoKα","","","0.0937","","","","0.2277","","","","","","1.724","","","","has coordinates","204214","2020-10-21","18:00:00",""
"7229717","7.251","0.004","27.486","0.013","17.493","0.008","90","","93.977","0.006","90","","3478","3","150","2","150","2","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C37 H25 Br4 Ga N3 O2 S -","- C37 H25 Br4 Ga N3 O2 S -","- C148 H100 Br16 Ga4 N12 O8 S4 -","4","1","","Karimata, Ayumu; Suzuki, Shuichi; Kozaki, Masatoshi; Okada, Keiji","Stereoelectronic control of oxidation potentials of 3,7-bis(diarylamino)phenothiazines","RSC Advances","2017","7","88","56144","","10.1039/C7RA12600J","","","0.71075","MoKα","","","0.0622","","","","0.0844","","","","","","1.328","","","","has coordinates","204214","2020-10-21","18:00:00",""
"7229718","10.758","0.006","12.675","0.007","14.281","0.008","68.315","0.018","82.98","0.03","75.22","0.03","1748.8","1.7","150","2","150","2","","","","","","","","4","P -1","-P 1","2","","","","- C44 H33 N3 S3 -","- C44 H33 N3 S3 -","- C88 H66 N6 S6 -","2","1","","Karimata, Ayumu; Suzuki, Shuichi; Kozaki, Masatoshi; Okada, Keiji","Stereoelectronic control of oxidation potentials of 3,7-bis(diarylamino)phenothiazines","RSC Advances","2017","7","88","56144","","10.1039/C7RA12600J","","","0.71075","MoKα","","","0.0481","","","","0.0678","","","","","","1.319","","","","has coordinates","204214","2020-10-21","18:00:00",""
"7229719","21.784","0.011","27.581","0.014","9.343","0.005","90","","90","","90","","5614","5","150","2","150","2","","","","","","","","4","A e a 2","A 2 -2ab","41","","","","- C37 H29 N3 S -","- C37 H29 N3 S -","- C296 H232 N24 S8 -","8","1","","Karimata, Ayumu; Suzuki, Shuichi; Kozaki, Masatoshi; Okada, Keiji","Stereoelectronic control of oxidation potentials of 3,7-bis(diarylamino)phenothiazines","RSC Advances","2017","7","88","56144","","10.1039/C7RA12600J","","","0.71075","MoKα","","","0.0538","","","","0.0646","","","","","","1.08","","","","has coordinates","204214","2020-10-21","18:00:00",""
"7229720","18.327","0.01","10.704","0.006","23.653","0.013","90","","92.738","0.005","90","","4635","4","150","2","150","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C47 H34 Br4 Cl Ga N3 S -","- C47 H34 Br4 Cl Ga N3 S -","- C188 H136 Br16 Cl4 Ga4 N12 S4 -","4","1","","Karimata, Ayumu; Suzuki, Shuichi; Kozaki, Masatoshi; Okada, Keiji","Stereoelectronic control of oxidation potentials of 3,7-bis(diarylamino)phenothiazines","RSC Advances","2017","7","88","56144","","10.1039/C7RA12600J","","","0.71075","MoKα","","","0.096","","","","0.1555","","","","","","2.71","","","","has coordinates","204214","2020-10-21","18:00:00",""
"7229721","17.92","0.006","8.445","0.003","26.392","0.009","90","","91.079","0.004","90","","3993","2","150","2","150","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C44 H33 F6 N3 S3 Sb -","- C44 H32 F6 N3 S3 Sb -","- C176 H128 F24 N12 S12 Sb4 -","4","1","","Karimata, Ayumu; Suzuki, Shuichi; Kozaki, Masatoshi; Okada, Keiji","Stereoelectronic control of oxidation potentials of 3,7-bis(diarylamino)phenothiazines","RSC Advances","2017","7","88","56144","","10.1039/C7RA12600J","","","0.71075","MoKα","","","0.048","","","","0.1326","","","","","","1.347","","","","has coordinates","204214","2020-10-21","18:00:00",""
"7229732","6.9587","0.0013","6.9587","0.0013","7.0832","0.0009","90","","90","","90","","342.99","0.1","300","","300","","","","","","","","","3","P -4 21 c","P -4 2n","114","","","alpha-Na3PS4","- Na3 P S4 -","- Na3 P S4 -","- Na6 P2 S8 -","2","0.25","","Nishimura, Shin-ichi; Tanibata, Naoto; Hayashi, Akitoshi; Tatsumisago, Masahiro; Yamada, Atsuo","The crystal structure and sodium disorder of high-temperature polymorph β-Na3PS4","Journal of Materials Chemistry A","2017","5","47","25025","","10.1039/C7TA08391B","powder diffraction","","0.70028","synchrotron","","","","","","","","","","","","","","","","","has coordinates","204276","2020-10-21","18:00:00",""
"7229733","7.06985","0.00004","7.06985","0.00004","7.06985","0.00004","90","","90","","90","","353.371","0.003","600","","600","","","","","","","","","3","I -4 3 m","I -4 2 3","217","","","beta-Na3PS4","- Na3 P S4 -","- Na3 P S4 -","- Na6 P2 S8 -","2","0.0416667","","Nishimura, Shin-ichi; Tanibata, Naoto; Hayashi, Akitoshi; Tatsumisago, Masahiro; Yamada, Atsuo","The crystal structure and sodium disorder of high-temperature polymorph β-Na3PS4","Journal of Materials Chemistry A","2017","5","47","25025","","10.1039/C7TA08391B","powder diffraction","","0.70028","synchrotron","","","","","","","","","","","","","","","","","has coordinates","204277","2020-10-21","18:00:00",""
"7229761","8.0801","0.0006","8.0801","0.0006","4.9553","0.0004","90","","90","","120","","280.18","0.04","293","2","293","2","","","","","","","","6","P 3 2 1","P 3 2""","150","","","","- Al1.5 Ca3 Ga1.5 O14 Si2 Ta -","- Al1.5 Ca3 Ga1.5 O14 Si2 Ta -","- Al1.5 Ca3 Ga1.5 O14 Si2 Ta -","1","0.166667","","Fu, Xiuwei; Víllora, Encarnación G.; Matsushita, Yoshitaka; Kitanaka, Yuuki; Noguchi, Yuji; Miyayama, Masaru; Shimamura, Kiyoshi; Ohashi, Naoki","Resistivity and piezoelectric properties of Ca3TaGa1.5Al1.5Si2O14 single crystals for high temperature sensors","RSC Advances","2017","7","89","56697","","10.1039/C7RA11926G","","","0.71073","MoKα","","0.0237","0.0237","","","0.0597","0.0597","","","","","","1.212","","","","has coordinates","204308","2020-10-21","18:00:00",""
"7229762","10.3185","0.0009","14.666","0.0011","14.863","0.0014","90","","90","","90","","2249.2","0.3","223","2","223","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C25 H22 Br N O4 S -","- C25 H22 Br N O4 S -","- C100 H88 Br4 N4 O16 S4 -","4","1","","Lee, Jusung; Ko, Kwang Min; Kim, Sung-Gon","Asymmetric synthesis of 2,3-disubstituted indolines via an organocatalytic intramolecular Michael addition","RSC Advances","2017","7","89","56457","","10.1039/C7RA10775G","","","0.71073","MoKα","","0.0415","0.0286","","","0.0565","0.0604","","","","","","1.055","","","","has coordinates","287876","2023-11-30","07:26:55",""
"7229824","18.6509","0.0014","18.6509","0.0014","12.2593","0.0019","90","","90","","90","","4264.5","0.8","175","2","175","2","","","","","","","","7","P 4/n m m","-P 4a 2a","129","","","","- C28 H44 Cu4 I4 N4 O32 Tb4 -","- C28 H44 Cu4 I4 N4 O32 Tb4 -","- C56 H88 Cu8 I8 N8 O64 Tb8 -","2","","","Liu, Jin-Hua; Gu, Ya-Nan; Chen, Yi; Qi, Yan-Jie; Li, Xin-Xiong; Zheng, Shou-Tian","Incorporating Cuprous-halide Clusters and Lanthanide Clusters to Construct Heterometallic Cluster Organic Frameworks with Luminescent and Gas Adsorption Properties","CrystEngComm","2017","","","","","10.1039/C7CE01963G","","","0.71073","MoKα","","0.0803","0.0694","","","0.2145","0.2222","","","","","","1.063","","","","has coordinates","204556","2020-10-21","18:00:00",""
"7229825","18.529","0.004","18.529","0.004","12.303","0.002","90","","90","","90","","4223.9","1.5","175","2","175","2","","","","","","","","7","P 4/n m m","-P 4a 2a","129","","","","- C28 H44 Cu4 I4 N4 O32 Y4 -","- C28 H44 Cu4 I4 N4 O32 Y4 -","- C56 H88 Cu8 I8 N8 O64 Y8 -","2","","","Liu, Jin-Hua; Gu, Ya-Nan; Chen, Yi; Qi, Yan-Jie; Li, Xin-Xiong; Zheng, Shou-Tian","Incorporating Cuprous-halide Clusters and Lanthanide Clusters to Construct Heterometallic Cluster Organic Frameworks with Luminescent and Gas Adsorption Properties","CrystEngComm","2017","","","","","10.1039/C7CE01963G","","","0.71073","MoKα","","0.0631","0.0537","","","0.1746","0.1808","","","","","","1.005","","","","has coordinates","204556","2020-10-21","18:00:00",""
"7229826","18.621","0.0009","18.621","0.0009","12.3194","0.0012","90","","90","","90","","4271.6","0.5","175","2","175","2","","","","","","","","7","P 4/n m m","-P 4a 2a","129","","","","- C28 H44 Cu4 Eu4 I4 N4 O32 -","- C28 H44 Cu4 Eu4 I4 N4 O32 -","- C56 H88 Cu8 Eu8 I8 N8 O64 -","2","","","Liu, Jin-Hua; Gu, Ya-Nan; Chen, Yi; Qi, Yan-Jie; Li, Xin-Xiong; Zheng, Shou-Tian","Incorporating Cuprous-halide Clusters and Lanthanide Clusters to Construct Heterometallic Cluster Organic Frameworks with Luminescent and Gas Adsorption Properties","CrystEngComm","2017","","","","","10.1039/C7CE01963G","","","0.71073","MoKα","","0.0768","0.0697","","","0.2167","0.2223","","","","","","1.061","","","","has coordinates","204556","2020-10-21","18:00:00",""
"7235141","56.337","0.008","5.7057","0.0009","36.189","0.005","90","","121.942","0.005","90","","9871","3","293","2","293","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C33 H25 N O -","- C33 H25 N O -","- C528 H400 N16 O16 -","16","2","","Lili Wang; Yuanyuan Li; Xuejiao You; Kui Xu; Qi Feng; Jinmin Wang; Yuanyuan Liu; Kai Li; Hongwei Hou","An erasable photo-patterning material based on a specially designed 4-(1,2,2-triphenylvinyl)aniline salicylaldehyde hydrazone aggregation-induced emission (AIE) molecule","Journal of Materials Chemistry C","2017","5","","65","72","10.1039/C6TC03791G","","","1.54178","CuKα","","0.1181","0.1002","","","0.2446","0.2539","","","","","","1.078","","","","has coordinates","227884","2020-10-21","18:00:00",""
"7235144","5.624","0.007","11.351","0.014","7.744","0.009","90","","90","","90","","494.4","1","296","2","296","2","","","","","","","","4","C m c 21","C 2c -2","36","","","","- Li O4 P Rb2 -","- Li O4 P Rb2 -","- Li4 O16 P4 Rb8 -","4","0.5","","Lin Li; Ying Wang; Bing-Hua Lei; Shujuan Han; Zhihua Yang; Hongyi Li; Shilie Pan","LiRb2PO4: a new deep-ultraviolet nonlinear optical phosphate with a large SHG response","Journal of Materials Chemistry C","2017","5","","269","274","10.1039/C6TC04565K","","","0.71073","MoKα","","0.0323","0.0304","","","0.0675","0.0679","","","","","","1.033","","","","has coordinates","230982","2020-10-21","18:00:00",""
"7235145","9.3497","0.0017","12.145","0.003","20.743","0.005","88.02","0.013","82.993","0.013","68.326","0.007","2172.4","0.9","293","2","293","2","","","","","","","","6","P -1","-P 1","2","{[Co3(N3)2(V4O12)(tzmb)2(H2O)3].5H2O}n","","","- C24 H34 Co3 N18 O20 V4 -","- C24 H34 Co3 N18 O20 V4 -","- C48 H68 Co6 N36 O40 V8 -","2","1","","Rong Li; Yu Xiao; Shuai-Hua Wang; Xiao-Ming Jiang; Ying-Ying Tang; Jian-Gang Xu; Yong Yan; Fa-Kun Zheng; Guo-Cong Guo","A 3D metal-organic framework built from vanadate clusters and diamond chains showing weak ferromagnetic single-chain-magnet like behavior","Journal of Materials Chemistry C","2017","5","","513","517","10.1039/C6TC04099C","","","0.71073","MoKα","","0.0685","0.0517","","","0.1414","0.1489","","","","","","1.007","","","","has coordinates","230983","2020-10-21","18:00:00",""
"7235146","9.8767","0.0005","14.7211","0.0008","16.9215","0.0009","69.762","0.002","86.925","0.002","84.366","0.002","2296.8","0.2","298","2","298","2","","","","","","","","5","P -1","-P 1","2","","","","- C40 H45 Mn3 N4 O16 -","- C40 H45 Mn3 N4 O16 -","- C80 H90 Mn6 N8 O32 -","2","1","","K. S. Asha; Arthur C. Reber; N. Ahmed; R. Nath; Shiv N. Khanna; Sukhendu Mandal","The effect of substituted benzene dicarboxylic acid linkers on the optical band gap energy and magnetic coupling in manganese trimer metal organic frameworks","Journal of Materials Chemistry C","2017","5","","539","548","10.1039/C6TC03577A","","","0.71073","MoKα","","0.0658","0.048","","","0.145","0.1741","","","","","","0.875","","","","has coordinates","230984","2020-10-21","18:00:00",""
"7235147","9.854","0.0003","12.8734","0.0004","16.6711","0.0006","74.88","0.002","88.827","0.001","87.055","0.002","2038.84","0.12","298","2","298","2","","","","","","","","6","P -1","-P 1","2","","","","- C36 H34 F6 Mn3 N4 O16 -","- C36 H34 F6 Mn3 N4 O16 -","- C72 H68 F12 Mn6 N8 O32 -","2","1","","K. S. Asha; Arthur C. Reber; N. Ahmed; R. Nath; Shiv N. Khanna; Sukhendu Mandal","The effect of substituted benzene dicarboxylic acid linkers on the optical band gap energy and magnetic coupling in manganese trimer metal organic frameworks","Journal of Materials Chemistry C","2017","5","","539","548","10.1039/C6TC03577A","","","0.71073","MoKα","","0.0765","0.0629","","","0.1654","0.1763","","","","","","1.074","","","","has coordinates","230984","2020-10-21","18:00:00",""
"7235148","9.9485","0.0003","15.3562","0.0005","15.7178","0.0005","71.627","0.001","85.423","0.001","83.995","0.001","2263.53","0.12","298","2","298","2","","","","","","","","6","P -1","-P 1","2","","","","- C36 H33 Cl6 Mn3 N4 O16 -","- C36 H33 Cl6 Mn3 N4 O16 -","- C72 H66 Cl12 Mn6 N8 O32 -","2","1","","K. S. Asha; Arthur C. Reber; N. Ahmed; R. Nath; Shiv N. Khanna; Sukhendu Mandal","The effect of substituted benzene dicarboxylic acid linkers on the optical band gap energy and magnetic coupling in manganese trimer metal organic frameworks","Journal of Materials Chemistry C","2017","5","","539","548","10.1039/C6TC03577A","","","0.71073","MoKα","","0.116","0.0933","","","0.2667","0.2958","","","","","","1.201","","","","has coordinates","230984","2020-10-21","18:00:00",""
"7235149","9.9807","0.001","15.3744","0.0017","15.5563","0.0017","71.72","0.003","85.721","0.004","84.763","0.004","2254.5","0.4","298","2","298","2","","","","","","","","6","P -1","-P 1","2","","","","- C36 H6 Br6 Mn3 N4 O16 -","- C36 H6 Br6 Mn3 N4 O16 -","- C72 H12 Br12 Mn6 N8 O32 -","2","1","","K. S. Asha; Arthur C. Reber; N. Ahmed; R. Nath; Shiv N. Khanna; Sukhendu Mandal","The effect of substituted benzene dicarboxylic acid linkers on the optical band gap energy and magnetic coupling in manganese trimer metal organic frameworks","Journal of Materials Chemistry C","2017","5","","539","548","10.1039/C6TC03577A","","","0.71073","MoKα","","0.1996","0.1386","","","0.335","0.3787","","","","","","1.316","","","","has coordinates","230984","2020-10-21","18:00:00",""
"7235150","9.8696","0.0006","18.0782","0.0012","27.2802","0.0017","90","","90","","90","","4867.5","0.5","298","2","298","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C15 H13 Mn1.5 N3 O12 -","- C15 H13 Mn1.5 N3 O12 -","- C120 H104 Mn12 N24 O96 -","8","1","","K. S. Asha; Arthur C. Reber; N. Ahmed; R. Nath; Shiv N. Khanna; Sukhendu Mandal","The effect of substituted benzene dicarboxylic acid linkers on the optical band gap energy and magnetic coupling in manganese trimer metal organic frameworks","Journal of Materials Chemistry C","2017","5","","539","548","10.1039/C6TC03577A","","","0.71073","MoKα","","0.1844","0.1388","","","0.4009","0.4281","","","","","","1.585","","","","has coordinates","230984","2020-10-21","18:00:00",""
"7235151","15.534","0.0003","9.9019","0.0002","16.3563","0.0003","90","","111.126","0.001","90","","2346.77","0.08","298","2","298","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C18 H7 Mn1.5 N2 O11 -","- C18 H7 Mn1.5 N2 O11 -","- C72 H28 Mn6 N8 O44 -","4","1","","K. S. Asha; Arthur C. Reber; N. Ahmed; R. Nath; Shiv N. Khanna; Sukhendu Mandal","The effect of substituted benzene dicarboxylic acid linkers on the optical band gap energy and magnetic coupling in manganese trimer metal organic frameworks","Journal of Materials Chemistry C","2017","5","","539","548","10.1039/C6TC03577A","","","0.71073","MoKα","","0.1249","0.0868","","","0.2645","0.3037","","","","","","1.148","","","","has coordinates","230984","2020-10-21","18:00:00",""
"7235152","13.4214","0.0012","10.026","0.0009","16.6604","0.0014","90","","106.733","0.004","90","","2146.9","0.3","298","2","293","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C16.5 H18.5 Mn1.5 N2.5 O7 -","- C16.5 H18.5 Mn1.5 N2.5 O7 -","- C66 H74 Mn6 N10 O28 -","4","1","","K. S. Asha; Arthur C. Reber; N. Ahmed; R. Nath; Shiv N. Khanna; Sukhendu Mandal","The effect of substituted benzene dicarboxylic acid linkers on the optical band gap energy and magnetic coupling in manganese trimer metal organic frameworks","Journal of Materials Chemistry C","2017","5","","539","548","10.1039/C6TC03577A","","","0.71073","MoKα","","0.1598","0.1269","","","0.3459","0.379","","","","","","1.514","","","","has coordinates","230984","2020-10-21","18:00:00",""
"7235153","11.7048","0.0002","7.8063","0.0002","13.3837","0.0003","90","","98.5108","0.0008","90","","1209.42","0.05","90","0.2","90","0.2","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","","","- C26 H32 S4 -","- C26 H32 S4 -","- C52 H64 S8 -","2","0.5","","Benjamin P. Cherniawski; Steven A. Lopez; Edmund K. Burnett; Ilhan Yavuz; Lei Zhang; Sean R. Parkin; Kendall N. Houk; Alejandro L. Briseno","The effect of hexyl side chains on molecular conformations, crystal packing, and charge transport of oligothiophenes","Journal of Materials Chemistry C","2017","5","","582","588","10.1039/C6TC04612F","","","0.71073","MoKα","","0.0544","0.0417","","","0.1042","0.112","","","","","","1.105","","","","has coordinates,has disorder","230985","2020-10-21","18:00:00",""
"7235154","5.7171","0.0003","8.601","0.0006","13.2287","0.0008","87.647","0.005","77.952","0.004","82.023","0.004","629.96","0.07","90","0.2","90","0.2","","","","","","","","3","P -1","-P 1","2","","","","- C14 H8 S4 -","- C14 H8 S4 -","- C28 H16 S8 -","2","1","","Benjamin P. Cherniawski; Steven A. Lopez; Edmund K. Burnett; Ilhan Yavuz; Lei Zhang; Sean R. Parkin; Kendall N. Houk; Alejandro L. Briseno","The effect of hexyl side chains on molecular conformations, crystal packing, and charge transport of oligothiophenes","Journal of Materials Chemistry C","2017","5","","582","588","10.1039/C6TC04612F","","","1.54178","CuKα","","0.0549","0.0475","","","0.1381","0.1441","","","","","","1.16","","","","has coordinates,has disorder","230985","2020-10-21","18:00:00",""
"7235155","5.2285","0.0003","21.9986","0.0015","22.2284","0.0014","110.465","0.004","94.335","0.004","93.072","0.004","2379.7","0.3","90","0.2","90","0.2","","","","","","","","3","P -1","-P 1","2","","","","- C52 H62 S8 -","- C52 H62 S8 -","- C104 H124 S16 -","2","1","","Benjamin P. Cherniawski; Steven A. Lopez; Edmund K. Burnett; Ilhan Yavuz; Lei Zhang; Sean R. Parkin; Kendall N. Houk; Alejandro L. Briseno","The effect of hexyl side chains on molecular conformations, crystal packing, and charge transport of oligothiophenes","Journal of Materials Chemistry C","2017","5","","582","588","10.1039/C6TC04612F","","","1.54178","CuKα","","0.1183","0.0925","","","0.2147","0.234","","","","","","1.072","","","","has coordinates,has disorder","230985","2020-10-21","18:00:00",""
"7235156","15.8948","0.0012","6.673","0.0006","15.6759","0.0019","90","","100.464","0.009","90","","1635","0.3","150","2","150","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C21 H14 Fe O4 -","- C21 H14 Fe O4 -","- C84 H56 Fe4 O16 -","4","1","","Priya Singla; Nick Van Steerteghem; Navdeep Kaur; A. Z. Ashar; Paramjit Kaur; Koen Clays; K. S. Narayan; Kamaljit Singh","Multifunctional geometrical isomers of ferrocene-benzo[1,2-b:4,5-b']difuran-2,6-(3H,7H)-dione adducts: second-order nonlinear optical behaviour and charge transport in thin film OFET devices","Journal of Materials Chemistry C","2017","5","","697","708","10.1039/C6TC03876J","","","0.71073","MoKα","","0.1425","0.097","","","0.2277","0.2883","","","","","","1.15","","","","has coordinates","230986","2020-10-21","18:00:00",""
"7235157","10.711","0.0009","11.456","0.0011","12.5503","0.0014","64.979","0.01","78.462","0.008","70.71","0.008","1313.8","0.3","298","2","293","2","","","","","","","","4","P -1","-P 1","2","","","","- C32 H22 Fe2 O4 -","- C32 H22 Fe2 O4 -","- C64 H44 Fe4 O8 -","2","1","","Priya Singla; Nick Van Steerteghem; Navdeep Kaur; A. Z. Ashar; Paramjit Kaur; Koen Clays; K. S. Narayan; Kamaljit Singh","Multifunctional geometrical isomers of ferrocene-benzo[1,2-b:4,5-b']difuran-2,6-(3H,7H)-dione adducts: second-order nonlinear optical behaviour and charge transport in thin film OFET devices","Journal of Materials Chemistry C","2017","5","","697","708","10.1039/C6TC03876J","","","0.71073","MoKα","","0.0655","0.0524","","","0.1341","0.1474","","","","","","1.03","","","","has coordinates","230986","2020-10-21","18:00:00",""
"7235158","20.943","0.011","4.6447","0.0017","14.264","0.007","90","","109.415","0.017","90","","1308.6","1.1","566","2","566","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","N,N?-Bis(4-Trifluoromethylthiobenzyl)naphthalene-1,4,5,8-tetracarboxylic acid diimide (NTCDI‒BSCF3)","","- C H F N O S -","- C4 H2.13333 F0.8 N0.266667 O0.533333 S0.266667 -","- C60 H32 F12 N4 O8 S4 -","15","3.75","","Liang Zhao; Dongwei Zhang; Yanan Zhu; Sen Peng; Hong Meng; Wei Huang","Effects of a highly lipophilic substituent on the environmental stability of naphthalene tetracarboxylic diimide-based n-channel thin-film transistors","Journal of Materials Chemistry C","2017","5","","848","853","10.1039/C6TC04323B","","","0.71073","MoKα","","0.0961","0.0771","","","0.212","0.2975","","","","","","1.033","","","","has coordinates","230987","2020-10-21","18:00:00",""
"7235159","9.7867","0.0006","11.6737","0.0007","12.7066","0.0009","107.28","0.002","96.692","0.002","96.036","0.002","1361.69","0.15","173","2","173","2","","","","","","","","4","P -1","-P 1","2","","","","- C34 H28 O2 S2 -","- C34 H28 O2 S2 -","- C68 H56 O4 S4 -","2","1","","Bin Chen; Han Zhang; Wenwen Luo; Han Nie; Rongrong Hu; Anjun Qin; Zujin Zhao; Ben Zhong Tang","Oxidation-enhanced emission: exploring novel AIEgens from thieno[3,2-b]thiophene S,S-dioxide","Journal of Materials Chemistry C","2017","5","","960","968","10.1039/C6TC05116B","","","0.71073","MoKα","","0.1235","0.0648","","","0.1171","0.1396","","","","","","1.049","","","","has coordinates","230988","2020-10-21","18:00:00",""
"7235160","10.9441","0.0008","11.8177","0.001","14.1721","0.0011","106.966","0.003","92.284","0.002","117.261","0.002","1525.6","0.2","173","2","173","2","","","","","","","","5","P -1","-P 1","2","","","","- C34 H16 F12 O2 S2 -","- C33.999 H16 F11.997 O2 S2 -","- C67.998 H32 F23.994 O4 S4 -","2","1","","Bin Chen; Han Zhang; Wenwen Luo; Han Nie; Rongrong Hu; Anjun Qin; Zujin Zhao; Ben Zhong Tang","Oxidation-enhanced emission: exploring novel AIEgens from thieno[3,2-b]thiophene S,S-dioxide","Journal of Materials Chemistry C","2017","5","","960","968","10.1039/C6TC05116B","","","0.71073","MoKα","","0.1611","0.0772","","","0.1463","0.1807","","","","","","1.066","","","","has coordinates,has disorder","230988","2020-10-21","18:00:00",""
"7235161","10.762","0.001","11.2068","0.0009","14.2221","0.0014","71.665","0.003","85.795","0.004","64.61","0.003","1467.2","0.2","173","2","173","2","","","","","","","","4","P -1","-P 1","2","","","","- C34 H16 F12 S2 -","- C34.001 H16 F12.003 S2 -","- C68.002 H32 F24.006 S4 -","2","1","","Bin Chen; Han Zhang; Wenwen Luo; Han Nie; Rongrong Hu; Anjun Qin; Zujin Zhao; Ben Zhong Tang","Oxidation-enhanced emission: exploring novel AIEgens from thieno[3,2-b]thiophene S,S-dioxide","Journal of Materials Chemistry C","2017","5","","960","968","10.1039/C6TC05116B","","","0.71073","MoKα","","0.1189","0.0554","","","0.0882","0.1059","","","","","","1.068","","","","has coordinates,has disorder","230988","2020-10-21","18:00:00",""
"7235162","9.5645","0.0005","11.451","0.0006","12.9056","0.0008","97.617","0.002","101.071","0.002","105.401","0.002","1311.94","0.13","173","2","173","2","","","","","","","","3","P -1","-P 1","2","","","","- C34 H28 S2 -","- C34 H28 S2 -","- C68 H56 S4 -","2","1","","Bin Chen; Han Zhang; Wenwen Luo; Han Nie; Rongrong Hu; Anjun Qin; Zujin Zhao; Ben Zhong Tang","Oxidation-enhanced emission: exploring novel AIEgens from thieno[3,2-b]thiophene S,S-dioxide","Journal of Materials Chemistry C","2017","5","","960","968","10.1039/C6TC05116B","","","0.71073","MoKα","","0.1126","0.0595","","","0.1069","0.1276","","","","","","1.04","","","","has coordinates,has disorder","230988","2020-10-21","18:00:00",""
"7235163","6.2997","0.0008","14.4057","0.0018","12.7959","0.0017","90","","97.634","0.006","90","","1151","0.3","173","2","173","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C30 H16 F4 S2 -","- C30 H16 F4 S2 -","- C60 H32 F8 S4 -","2","0.5","","Bin Chen; Han Zhang; Wenwen Luo; Han Nie; Rongrong Hu; Anjun Qin; Zujin Zhao; Ben Zhong Tang","Oxidation-enhanced emission: exploring novel AIEgens from thieno[3,2-b]thiophene S,S-dioxide","Journal of Materials Chemistry C","2017","5","","960","968","10.1039/C6TC05116B","","","0.71073","MoKα","","0.0839","0.0477","","","0.0971","0.1095","","","","","","1.044","","","","has coordinates","230988","2020-10-21","18:00:00",""
"7235164","6.163","0.0013","12.311","0.003","15.334","0.004","90","","101.21","0.007","90","","1141.2","0.5","173","2","173","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C30 H20 O2 S2 -","- C30 H20 O2 S2 -","- C60 H40 O4 S4 -","2","0.5","","Bin Chen; Han Zhang; Wenwen Luo; Han Nie; Rongrong Hu; Anjun Qin; Zujin Zhao; Ben Zhong Tang","Oxidation-enhanced emission: exploring novel AIEgens from thieno[3,2-b]thiophene S,S-dioxide","Journal of Materials Chemistry C","2017","5","","960","968","10.1039/C6TC05116B","","","0.71073","MoKα","","0.1097","0.0457","","","0.0731","0.086","","","","","","1.022","","","","has coordinates,has disorder","230988","2020-10-21","18:00:00",""
"7235165","9.75","0.002","10.415","0.002","12.252","0.003","104.173","0.007","102.316","0.007","98.648","0.007","1151.2","0.4","173","2","173","2","","","","","","","","4","P -1","-P 1","2","","","","- C30 H20 O2 S2 -","- C30 H20 O2 S2 -","- C60 H40 O4 S4 -","2","1","","Bin Chen; Han Zhang; Wenwen Luo; Han Nie; Rongrong Hu; Anjun Qin; Zujin Zhao; Ben Zhong Tang","Oxidation-enhanced emission: exploring novel AIEgens from thieno[3,2-b]thiophene S,S-dioxide","Journal of Materials Chemistry C","2017","5","","960","968","10.1039/C6TC05116B","","","0.71073","MoKα","","0.111","0.0486","","","0.0882","0.1042","","","","","","1.024","","","","has coordinates","230988","2020-10-21","18:00:00",""
"7235166","17.1486","0.0008","10.1102","0.0008","14.1478","0.0008","90","","102.148","0.003","90","","2398","0.3","173","2","173","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C30 H16 F4 O2 S2 -","- C30 H16 F4 O2 S2 -","- C120 H64 F16 O8 S8 -","4","0.5","","Bin Chen; Han Zhang; Wenwen Luo; Han Nie; Rongrong Hu; Anjun Qin; Zujin Zhao; Ben Zhong Tang","Oxidation-enhanced emission: exploring novel AIEgens from thieno[3,2-b]thiophene S,S-dioxide","Journal of Materials Chemistry C","2017","5","","960","968","10.1039/C6TC05116B","","","0.71073","MoKα","","0.0871","0.0621","","","0.1661","0.1801","","","","","","1.097","","","","has coordinates","230988","2020-10-21","18:00:00",""
"7235167","18.373","0.009","11.523","0.006","11.034","0.005","90","","94.251","0.009","90","","2330","2","200","2","200","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C14 H16 Co3 N6 O10 -","- C14 H8 Co3 N6 O10 -","- C56 H32 Co12 N24 O40 -","4","0.5","","Chengfang Qiao; Lin Sun; Sheng Zhang; Ping Liu; Liangliang Chang; Chunsheng Zhou; Qing Wei; Sanping Chen; Shengli Gao","Pore-size-tuned host-guest interactions in Co-MOFs via in situ microcalorimetry: adsorption and magnetism","Journal of Materials Chemistry C","2017","5","","1064","1073","10.1039/C6TC05082D","","","0.71073","MoKα","","0.1011","0.0794","","","0.2521","0.2833","","","","","","1.062","","","","has coordinates","230989","2020-10-21","18:00:00",""
"7235168","17.518","0.009","13.309","0.009","11.181","0.006","90","","95.873","0.015","90","","2593","3","296","2","296","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C20 H22 Co3 N8 O8 -","- C20 H22 Co3 N8 O8 -","- C80 H88 Co12 N32 O32 -","4","0.5","","Chengfang Qiao; Lin Sun; Sheng Zhang; Ping Liu; Liangliang Chang; Chunsheng Zhou; Qing Wei; Sanping Chen; Shengli Gao","Pore-size-tuned host-guest interactions in Co-MOFs via in situ microcalorimetry: adsorption and magnetism","Journal of Materials Chemistry C","2017","5","","1064","1073","10.1039/C6TC05082D","","","0.71073","MoKα","","0.1488","0.0971","","","0.2432","0.2718","","","","","","1.021","","","","has coordinates","230989","2020-10-21","18:00:00",""
"7235169","18.28","0.003","11.9163","0.0018","11.0923","0.0017","90","","94.04","0.002","90","","2410.2","0.7","296","2","296","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C16 H14 Co3 N6 O7 -","- C16 H8 Co3 N6 O7 -","- C64 H32 Co12 N24 O28 -","4","0.5","","Chengfang Qiao; Lin Sun; Sheng Zhang; Ping Liu; Liangliang Chang; Chunsheng Zhou; Qing Wei; Sanping Chen; Shengli Gao","Pore-size-tuned host-guest interactions in Co-MOFs via in situ microcalorimetry: adsorption and magnetism","Journal of Materials Chemistry C","2017","5","","1064","1073","10.1039/C6TC05082D","","","0.71073","MoKα","","0.0704","0.0555","","","0.1688","0.1819","","","","","","1.054","","","","has coordinates","230989","2020-10-21","18:00:00",""
"7235170","7.4917","0.0007","12.6697","0.0014","17.4733","0.0016","81.367","0.008","85.995","0.008","80.27","0.009","1614.5","0.3","100.01","0.1","100.01","0.1","","","","","","","","3","P -1","-P 1","2","","","","- C74 H96 Si4 -","- C74 H96 Si4 -","- C74 H96 Si4 -","1","0.5","","Zunzhi Wang; Rongjin Li; Yulan Chen; Yuan-Zhi Tan; Zeyi Tu; Xuejiao J. Gao; Huanli Dong; Yuanping Yi; Yu Zhang; Wenping Hu; Klaus Mullen; Long Chen","A novel angularly fused bistetracene: facile synthesis, crystal packing and single-crystal field effect transistors","Journal of Materials Chemistry C","2017","5","","1308","1312","10.1039/C6TC04365H","","x-ray","1.54184","CuKα","","0.1297","0.0948","","","0.2378","0.2827","","","","","","1.031","","","","has coordinates","230990","2020-10-21","18:00:00",""
"7235171","33.707","0.002","16.5828","0.0012","19.1233","0.0011","90","","90","","90","","10689.1","1.2","105.5","1","105.5","1","","","","","","","","3","P n a 21","P 2c -2n","33","","","","- C126 H152 Si6 -","- C126 H152 Si6 -","- C504 H608 Si24 -","4","1","","Zunzhi Wang; Rongjin Li; Yulan Chen; Yuan-Zhi Tan; Zeyi Tu; Xuejiao J. Gao; Huanli Dong; Yuanping Yi; Yu Zhang; Wenping Hu; Klaus Mullen; Long Chen","A novel angularly fused bistetracene: facile synthesis, crystal packing and single-crystal field effect transistors","Journal of Materials Chemistry C","2017","5","","1308","1312","10.1039/C6TC04365H","","x-ray","1.54184","CuKα","","0.2881","0.11","","","0.201","0.2958","","","","","","1.051","","","","has coordinates,has disorder","230990","2020-10-21","18:00:00",""
"7235173","26.456","0.009","7.923","0.002","17.551","0.007","90","","120.844","0.007","90","","3158.6","1.9","296","2","296","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C36 H30 N4 S -","- C36.08 H29.92 N4.08 S1.04 -","- C144.32 H119.68 N16.32 S4.16 -","4","0.5","","Fan Ni; Zhongbin Wu; Zece Zhu; Tianheng Chen; Kailong Wu; Cheng Zhong; Kebin An; Danqing Wei; Dongge Ma; Chuluo Yang","Teaching an old acceptor new tricks: rationally employing 2,1,3-benzothiadiazole as input to design a highly efficient red thermally activated delayed fluorescence emitter","Journal of Materials Chemistry C","2017","5","","1363","1368","10.1039/C7TC00025A","","","0.71073","MoKα","","0.0818","0.069","","","0.249","0.2601","","","","","","1.116","","","","has coordinates,has disorder","231031","2020-10-21","18:00:00",""
"7235174","26.791","0.004","26.791","0.004","10.119","0.002","90","","90","","120","","6289.9","1.8","296","2","296","2","","","","","","","","6","P -3","-P 3","147","","","","- C41.33 H25.67 Dy F12 N2 O6.33 -","- C41.32 H25.64 Dy F12 N2 O6.33 -","- C247.92 H153.84 Dy6 F72 N12 O37.98 -","6","1","","Sheng Zhang; Haipeng Wu; Lin Sun; Hongshan Ke; Sanping Chen; Bing Yin; Qing Wei; Desuo Yang; Shengli Gao","Ligand field fine-tuning on the modulation of the magnetic properties and relaxation dynamics of dysprosium(iii) single-ion magnets (SIMs): synthesis, structure, magnetism and ab initio calculations","Journal of Materials Chemistry C","2017","5","","1369","1382","10.1039/C6TC05188J","","","0.71073","MoKα","","0.1382","0.0652","","","0.1243","0.1415","","","","","","1.022","","","","has coordinates,has disorder","231032","2020-10-21","18:00:00",""
"7235175","12.429","0.003","17.651","0.004","21.655","0.005","87.902","0.005","74.279","0.005","71.393","0.004","4327.5","1.8","293","2","293","2","","","","","","","","6","P -1","-P 1","2","","","","- C43 H32 Dy F9 N2 O6 -","- C43 H32 Dy F9 N2 O6 -","- C172 H128 Dy4 F36 N8 O24 -","4","2","","Sheng Zhang; Haipeng Wu; Lin Sun; Hongshan Ke; Sanping Chen; Bing Yin; Qing Wei; Desuo Yang; Shengli Gao","Ligand field fine-tuning on the modulation of the magnetic properties and relaxation dynamics of dysprosium(iii) single-ion magnets (SIMs): synthesis, structure, magnetism and ab initio calculations","Journal of Materials Chemistry C","2017","5","","1369","1382","10.1039/C6TC05188J","","","0.71073","MoKα","","0.1032","0.1225","","","0.2068","0.2561","","","","","","1.099","","","","has coordinates","231032","2020-10-21","18:00:00",""
"7235176","10.816","0.0011","10.9937","0.0011","18.5997","0.0018","80.054","0.002","86.565","0.002","84.476","0.002","2166.2","0.4","293","2","293","2","","","","","","","","6","P -1","-P 1","2","","","","- C45 H36 Dy F9 N2 O7 -","- C45 H36 Dy F9 N2 O7 -","- C90 H72 Dy2 F18 N4 O14 -","2","1","","Sheng Zhang; Haipeng Wu; Lin Sun; Hongshan Ke; Sanping Chen; Bing Yin; Qing Wei; Desuo Yang; Shengli Gao","Ligand field fine-tuning on the modulation of the magnetic properties and relaxation dynamics of dysprosium(iii) single-ion magnets (SIMs): synthesis, structure, magnetism and ab initio calculations","Journal of Materials Chemistry C","2017","5","","1369","1382","10.1039/C6TC05188J","","","0.71073","MoKα","","0.04","0.0359","","","0.1052","0.115","","","","","","1.082","","","","has coordinates","231032","2020-10-21","18:00:00",""
"7235177","10.273","0.002","13.625","0.003","15.204","0.003","83.405","0.004","87.777","0.004","76.586","0.004","2056.2","0.7","296","2","296","2","","","","","","","","6","P -1","-P 1","2","","","","- C42 H23 Dy F12 N2 O6 -","- C42 H23 Dy F12 N2 O6 -","- C84 H46 Dy2 F24 N4 O12 -","2","1","","Sheng Zhang; Haipeng Wu; Lin Sun; Hongshan Ke; Sanping Chen; Bing Yin; Qing Wei; Desuo Yang; Shengli Gao","Ligand field fine-tuning on the modulation of the magnetic properties and relaxation dynamics of dysprosium(iii) single-ion magnets (SIMs): synthesis, structure, magnetism and ab initio calculations","Journal of Materials Chemistry C","2017","5","","1369","1382","10.1039/C6TC05188J","","","0.71073","MoKα","","0.1739","0.0637","","","0.1391","0.1905","","","","","","1.051","","","","has coordinates","231032","2020-10-21","18:00:00",""
"7235178","13.0433","0.0008","7.4359","0.0004","19.8943","0.0012","90","","96.61","0.001","90","","1916.7","0.19","200","2","200","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C18 H13 F6 N7 Pt -","- C18 H13 F6 N7 Pt -","- C72 H52 F24 N28 Pt4 -","4","1","","Chung-Hao Tseng; Mark A. Fox; Jia-Ling Liao; Chia-Hao Ku; Zong-Ting Sie; Chih-Hao Chang; Jin-Yun Wang; Zhong-Ning Chen; Gene-Hsiang Lee; Yun Chi","Luminescent Pt(ii) complexes featuring imidazolylidene-pyridylidene and dianionic bipyrazolate: from fundamentals to OLED fabrications","Journal of Materials Chemistry C","2017","5","","1420","1435","10.1039/C6TC05154E","","","0.71073","MoKα","","0.0419","0.0331","","","0.0755","0.0794","","","","","","1.049","","","","has coordinates,has disorder","231033","2020-10-21","18:00:00",""
"7235179","21.8036","0.0014","6.7963","0.0004","13.7863","0.0009","90","","90","","90","","2042.9","0.2","200","2","200","2","","","","","","","","5","P n m a","-P 2ac 2n","62","","","","- C19 H15 F6 N7 Pt -","- C19 H15 F6 N7 Pt -","- C76 H60 F24 N28 Pt4 -","4","0.5","","Chung-Hao Tseng; Mark A. Fox; Jia-Ling Liao; Chia-Hao Ku; Zong-Ting Sie; Chih-Hao Chang; Jin-Yun Wang; Zhong-Ning Chen; Gene-Hsiang Lee; Yun Chi","Luminescent Pt(ii) complexes featuring imidazolylidene-pyridylidene and dianionic bipyrazolate: from fundamentals to OLED fabrications","Journal of Materials Chemistry C","2017","5","","1420","1435","10.1039/C6TC05154E","","","0.71073","MoKα","","0.026","0.0221","","","0.0502","0.0517","","","","","","1.051","","","","has coordinates,has disorder","231033","2020-10-21","18:00:00",""
"7235180","12.2448","0.0006","15.2481","0.0008","16.3269","0.0008","72.0438","0.001","69.328","0.001","68.7506","0.0009","2600.7","0.2","200","2","200","2","","","","","","","","6","P -1","-P 1","2","","","","- C46 H50 F12 N14 O3 Pt2 -","- C46 H50 F12 N14 O3 Pt2 -","- C92 H100 F24 N28 O6 Pt4 -","2","1","","Chung-Hao Tseng; Mark A. Fox; Jia-Ling Liao; Chia-Hao Ku; Zong-Ting Sie; Chih-Hao Chang; Jin-Yun Wang; Zhong-Ning Chen; Gene-Hsiang Lee; Yun Chi","Luminescent Pt(ii) complexes featuring imidazolylidene-pyridylidene and dianionic bipyrazolate: from fundamentals to OLED fabrications","Journal of Materials Chemistry C","2017","5","","1420","1435","10.1039/C6TC05154E","","","0.71073","MoKα","","0.045","0.0347","","","0.079","0.0836","","","","","","1.044","","","","has coordinates,has disorder","231033","2020-10-21","18:00:00",""
"7235181","22.298","0.0009","12.8948","0.0005","16.2166","0.0006","90","","131.727","0.0013","90","","3479.9","0.2","200","2","200","2","","","","","","","","5","C 1 c 1","C -2yc","9","","","","- C47 H31 B F N3 -","- C47 H31 B F N3 -","- C188 H124 B4 F4 N12 -","4","1","","Yi-Jiun Shiu; Yi-Ting Chen; Wei-Kai Lee; Chung-Chih Wu; Tzu-Chieh Lin; Shih-Hung Liu; Pi-Tai Chou; Chin-Wei Lu; I-Chen Cheng; Yi-Jyun Lien; Yun Chi","Efficient thermally activated delayed fluorescence of functional phenylpyridinato boron complexes and high performance organic light-emitting diodes","Journal of Materials Chemistry C","2017","5","","1452","1462","10.1039/C6TC04994J","","","1.54178","CuKα","","0.0507","0.0481","","","0.135","0.1381","","","","","","1.048","","","","has coordinates","231034","2020-10-21","18:00:00",""
"7235182","9.7399","0.0005","13.7142","0.0008","14.6944","0.0008","101.835","0.003","95.538","0.002","110.288","0.002","1771.61","0.17","200","2","200","2","","","","","","","","5","P -1","-P 1","2","","","","- C47 H35 B F N3 -","- C47 H35 B F N3 -","- C94 H70 B2 F2 N6 -","2","1","","Yi-Jiun Shiu; Yi-Ting Chen; Wei-Kai Lee; Chung-Chih Wu; Tzu-Chieh Lin; Shih-Hung Liu; Pi-Tai Chou; Chin-Wei Lu; I-Chen Cheng; Yi-Jyun Lien; Yun Chi","Efficient thermally activated delayed fluorescence of functional phenylpyridinato boron complexes and high performance organic light-emitting diodes","Journal of Materials Chemistry C","2017","5","","1452","1462","10.1039/C6TC04994J","","","0.71073","MoKα","","0.0697","0.0515","","","0.1291","0.1399","","","","","","1.008","","","","has coordinates","231034","2020-10-21","18:00:00",""
"7235183","9.6285","0.0003","9.8729","0.0003","10.6722","0.0004","99.852","0.002","96.899","0.002","116.498","0.002","872.06","0.05","200","2","200","2","","","","","","","","4","P 1","P 1","1","","","","- C42 H26 N12 Zn2 -","- C42 H26 N12 Zn2 -","- C42 H26 N12 Zn2 -","1","1","","Shruti Mendiratta; Muhammad Usman; Chun-Chi Chang; Yung-Chi Lee; Jenq-Wei Chen; Maw-Kuen Wu; Ying-Chih Lin; Chao-Ping Hsu; Kuang-Lieh Lu","Zn(ii)-based metal-organic framework: an exceptionally thermally stable, guest-free low dielectric material","Journal of Materials Chemistry C","2017","5","","1508","1513","10.1039/C6TC05314A","","","0.71073","MoKα","","0.0679","0.0532","","","0.133","0.1619","","","","","","1.029","","","","has coordinates","231035","2020-10-21","18:00:00",""
"7235184","10.098","0.002","12.156","0.002","17.119","0.003","90","","96.32","0.03","90","","2088.6","0.7","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C15 H20 Mn N9 P -","- C15 H20 Mn N9 P -","- C60 H80 Mn4 N36 P4 -","4","1","","Fu-Juan Geng; Lin Zhou; Ping-Ping Shi; Xiao-Li Wang; Xuan Zheng; Yi Zhang; Da-Wei Fu; Qiong Ye","Perovskite-type organic-inorganic hybrid NLO switches tuned by guest cations","Journal of Materials Chemistry C","2017","5","","1529","1536","10.1039/C6TC05105G","","","0.71073","MoKα","","0.0615","0.0484","","","0.1234","0.1319","","","","","","1.02","","","","has coordinates","231036","2020-10-21","18:00:00",""
"7235185","10.391","0.013","15.81","0.02","15.482","0.015","90","","127.56","0.019","90","","2016","4","173","2","173","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C14 H20 Mn N9 O P -","- C14 H20 Mn N9 O P -","- C56 H80 Mn4 N36 O4 P4 -","4","1","","Fu-Juan Geng; Lin Zhou; Ping-Ping Shi; Xiao-Li Wang; Xuan Zheng; Yi Zhang; Da-Wei Fu; Qiong Ye","Perovskite-type organic-inorganic hybrid NLO switches tuned by guest cations","Journal of Materials Chemistry C","2017","5","","1529","1536","10.1039/C6TC05105G","","","0.71073","MoKα","","0.1575","0.1343","","","0.317","0.3438","","","","","","1.131","","","","has coordinates","231036","2020-10-21","18:00:00",""
"7235186","10.496","0.002","12.396","0.003","16.254","0.003","90","","90","","90","","2114.8","0.8","293","2","293","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C15 H22 Mn N9 P -","- C15 H22 Mn N9 P -","- C60 H88 Mn4 N36 P4 -","4","1","","Fu-Juan Geng; Lin Zhou; Ping-Ping Shi; Xiao-Li Wang; Xuan Zheng; Yi Zhang; Da-Wei Fu; Qiong Ye","Perovskite-type organic-inorganic hybrid NLO switches tuned by guest cations","Journal of Materials Chemistry C","2017","5","","1529","1536","10.1039/C6TC05105G","","","0.71073","MoKα","","0.0819","0.0552","","","0.125","0.1376","","","","","","1.04","","","","has coordinates","231036","2020-10-21","18:00:00",""
"7235187","10.694","0.002","12.092","0.002","16.108","0.003","90","","90","","90","","2083","0.6","293","2","293","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C14 H20 Mn N9 O P -","- C14 H20 Mn N9 O P -","- C56 H80 Mn4 N36 O4 P4 -","4","1","","Fu-Juan Geng; Lin Zhou; Ping-Ping Shi; Xiao-Li Wang; Xuan Zheng; Yi Zhang; Da-Wei Fu; Qiong Ye","Perovskite-type organic-inorganic hybrid NLO switches tuned by guest cations","Journal of Materials Chemistry C","2017","5","","1529","1536","10.1039/C6TC05105G","","","0.71073","MoKα","","0.1024","0.0601","","","0.1338","0.1537","","","","","","1.03","","","","has coordinates","231036","2020-10-21","18:00:00",""
"7235188","19.1998","0.0012","19.1998","0.0012","37.747","0.002","90","","90","","120","","12050.5","1.2","293","2","293","2","","","","","","","","6","R -3 m :H","-R 3 2""","166","","","","- C11 H0 N2 O5 S Zn -","- C11 H3 N O5 S0.5 Zn -","- C198 H54 N18 O90 S9 Zn18 -","18","0.5","","Dian Zhao; Dan Yue; Ke Jiang; Yuanjing Cui; Qi Zhang; Yu Yang; Guodong Qian","Ratiometric dual-emitting MOF dye thermometers with a tunable operating range and sensitivity","Journal of Materials Chemistry C","2017","5","","1607","1613","10.1039/C6TC05203G","","","0.71073","MoKα","","0.1735","0.0811","","","0.2273","0.306","","","","","","1.012","","","","has coordinates","231037","2020-10-21","18:00:00",""
"7235189","9.435","0.006","12.771","0.008","7.237","0.005","90","","93.021","0.009","90","","870.8","1","296","2","296.15","","","","","","","","","4","C 1 2/m 1","-C 2y","12","","","","- C22 H10 N4 S -","- C22 H8 N4 S -","- C44 H16 N8 S2 -","2","0.25","","Xiaoyu Fang; Xiaogang Yang; Dongpeng Yan","Vapor-phase pi-pi molecular recognition: a fast and solvent-free strategy towards the formation of co-crystalline hollow microtube with 1D optical waveguide and up-conversion emission","Journal of Materials Chemistry C","2017","5","","1632","1637","10.1039/C6TC05048D","","","0.71073","MOKα","","0.0659","0.0596","","","0.1679","0.1756","","","","","","1.019","","","","has coordinates","231038","2020-10-21","18:00:00",""
"7235190","9.2282","0.0003","10.7038","0.0003","25.8222","0.0008","90","","90","","90","","2550.63","0.14","93","2","93","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","(Acetonitrile)-(3,11-di-t-butyl-3,11,17,18-tetraazatricyclo[11.3.1.15,9] octadeca-1(17),5(18),6,8,13,15-hexaene)-copper tetrafluoroborate","","- C24 H35 B Cu F4 N5 -","- C24 H35 B Cu F4 N5 -","- C96 H140 B4 Cu4 F16 N20 -","4","1","","G. A. Filonenko; R. R. Fayzullin; J. R. Khusnutdinova","Intramolecular non-covalent interactions as a strategy towards controlled photoluminescence in copper(i) complexes","Journal of Materials Chemistry C","2017","5","","1638","1645","10.1039/C6TC04989C","","x-ray","0.71073","MoKα","","0.0199","0.0195","","","0.0508","0.051","","","","","","1.05","","","","has coordinates","231039","2020-10-21","18:00:00",""
"7235191","10.3221","0.0008","12.5539","0.0011","13.3412","0.0009","96.242","0.006","97.713","0.006","111.66","0.008","1568.5","0.2","93","2","93","2","","","","","","","","7","P -1","-P 1","2","","(Acetonitrile)-(diethyl 3,3'-(3,11,17,18-tetraazatricyclo[11.3.1.15,9] octadeca-1(17),5(18),6,8,13,15-hexaene-3,11-diyl)dipropionate)-copper hexafluorophosphate acetonitrile solvate","","- C28 H38 Cu F6 N6 O4 P -","- C27.996 H37.991 Cu F6 N6 O3.998 P -","- C55.992 H75.982 Cu2 F12 N12 O7.996 P2 -","2","1","","G. A. Filonenko; R. R. Fayzullin; J. R. Khusnutdinova","Intramolecular non-covalent interactions as a strategy towards controlled photoluminescence in copper(i) complexes","Journal of Materials Chemistry C","2017","5","","1638","1645","10.1039/C6TC04989C","","x-ray","0.71073","MoKα","","0.0501","0.0435","","","0.1171","0.1219","","","","","","1.059","","","","has coordinates,has disorder","231040","2020-10-21","18:00:00",""
"7235192","18.0389","0.0004","10.7179","0.0003","23.219","0.0006","90","","95.19","0.002","90","","4470.7","0.2","93","2","93","2","","","","","","","","5","I 1 2/a 1","-I 2ya","15","","Iodo-(3,11-di-t-butyl-3,11,17,18-tetraazatricyclo[11.3.1.15,9] octadeca-1(17),5(18),6,8,13,15-hexaene)-copper","","- C22 H32 Cu I N4 -","- C22 H32 Cu I N4 -","- C176 H256 Cu8 I8 N32 -","8","1","","G. A. Filonenko; R. R. Fayzullin; J. R. Khusnutdinova","Intramolecular non-covalent interactions as a strategy towards controlled photoluminescence in copper(i) complexes","Journal of Materials Chemistry C","2017","5","","1638","1645","10.1039/C6TC04989C","","x-ray","0.71073","MoKα","","0.0218","0.0202","","","0.0495","0.0502","","","","","","1.055","","","","has coordinates","231041","2020-10-21","18:00:00",""
"7235193","9.8894","0.0003","11.0273","0.0003","12.5448","0.0003","76.939","0.002","71.011","0.002","82.147","0.002","1257.18","0.06","93","2","93","2","","","","","","","","6","P -1","-P 1","2","","Iodo-(diethyl 3,3'-(3,11,17,18-tetraazatricyclo[11.3.1.15,9] octadeca-1(17),5(18),6,8,13,15-hexaene-3,11-diyl)dipropionate)-copper","","- C24 H32 Cu I N4 O4 -","- C24 H32 Cu I N4 O4 -","- C48 H64 Cu2 I2 N8 O8 -","2","1","","G. A. Filonenko; R. R. Fayzullin; J. R. Khusnutdinova","Intramolecular non-covalent interactions as a strategy towards controlled photoluminescence in copper(i) complexes","Journal of Materials Chemistry C","2017","5","","1638","1645","10.1039/C6TC04989C","","x-ray","0.71073","MoKα","","0.0226","0.021","","","0.0513","0.052","","","","","","1.041","","","","has coordinates","231042","2020-10-21","18:00:00",""
"7235194","9.21714","0.00018","11.1644","0.0002","25.851","0.0006","90","","90","","90","","2660.17","0.09","93","2","93","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","(Acetonitrile)-(3,11-di-t-butyl-3,11,17,18-tetraazatricyclo[11.3.1.15,9] octadeca-1(17),5(18),6,8,13,15-hexaene)-copper hexafluorophosphate","","- C24 H35 Cu F6 N5 P -","- C24 H35 Cu F6 N5 P -","- C96 H140 Cu4 F24 N20 P4 -","4","1","","G. A. Filonenko; R. R. Fayzullin; J. R. Khusnutdinova","Intramolecular non-covalent interactions as a strategy towards controlled photoluminescence in copper(i) complexes","Journal of Materials Chemistry C","2017","5","","1638","1645","10.1039/C6TC04989C","","x-ray","0.71073","MoKα","","0.0249","0.0244","","","0.0631","0.0634","","","","","","1.043","","","","has coordinates","231043","2020-10-21","18:00:00",""
"7235195","20.8422","0.0005","22.3058","0.0005","11.2544","0.0003","90","","94.493","0.003","90","","5216.1","0.2","93","2","93","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","(3,3'-(3,11,17,18-tetraazatricyclo[11.3.1.15,9] octadeca-1(17),5(18),6,8,13,15-hexaene-3,11-diyl)bis(propan-1-ol))-copper hexafluorophosphate","","- C22 H31 Cu F6 N5 O2 P -","- C22.0005 H31.0025 Cu F6 N5 O2.0005 P -","- C176.004 H248.02 Cu8 F48 N40 O16.004 P8 -","8","2","","G. A. Filonenko; R. R. Fayzullin; J. R. Khusnutdinova","Intramolecular non-covalent interactions as a strategy towards controlled photoluminescence in copper(i) complexes","Journal of Materials Chemistry C","2017","5","","1638","1645","10.1039/C6TC04989C","","x-ray","0.71073","MoKα","","0.0414","0.0356","","","0.088","0.0909","","","","","","1.03","","","","has coordinates,has disorder","231044","2020-10-21","18:00:00",""
"7235196","12.58365","0.00019","17.6541","0.0003","18.0319","0.0003","79.3917","0.0014","84.4139","0.0013","87.624","0.0013","3917.54","0.11","93","2","93","2","","","","","","","","7","P -1","-P 1","2","","(mu-iodo)-bis((3,11-di-t-butyl-3,11,17,18-tetraazatricyclo[11.3.1.15,9] octadeca-1(17),5(18),6,8,13,15-hexaene)-copper) tetrakis(3,5-bis(trifluoromethyl)phenyl)borate","","- C76 H76 B Cu2 F24 I N8 -","- C76 H76 B Cu2 F24 I N8 -","- C152 H152 B2 Cu4 F48 I2 N16 -","2","1","","G. A. Filonenko; R. R. Fayzullin; J. R. Khusnutdinova","Intramolecular non-covalent interactions as a strategy towards controlled photoluminescence in copper(i) complexes","Journal of Materials Chemistry C","2017","5","","1638","1645","10.1039/C6TC04989C","","x-ray","0.71073","MoKα","","0.0282","0.0238","","","0.0572","0.0589","","","","","","1.032","","","","has coordinates,has disorder","231045","2020-10-21","18:00:00",""
"7235197","13.381","0.006","13.771","0.007","15.248","0.007","105.045","0.009","101.432","0.009","113.389","0.008","2342.2","1.9","293","2","293","2","","","","","","","","5","P -1","-P 1","2","k151004","m-Ir-(dbfmi)3","","- C48 H33 Ir N6 O3 -","- C48 H33 Ir N6 O3 -","- C96 H66 Ir2 N12 O6 -","2","1","","Yang-Jin Cho; So-Yoen Kim; Jin-Hyoung Kim; Jiwon Lee; Dae Won Cho; Seungjun Yi; Ho-Jin Son; Won-Sik Han; Sang Ook Kang","Probing photophysical properties of isomeric N-heterocyclic carbene Ir(iii) complexes and their applications to deep-blue phosphorescent organic light-emitting diodes","Journal of Materials Chemistry C","2017","5","","1651","1659","10.1039/C6TC04757B","","","0.71073","MoKα","","0.0559","0.036","","","0.1032","0.107","","","","","","0.944","","","","has coordinates","231046","2020-10-21","18:00:00",""
"7235198","6.9356","0.0005","11.2669","0.0009","12.5929","0.0013","69.417","0.008","88.074","0.007","78.462","0.006","901.89","0.14","150","2","150","2","","","","","","","","3","P -1","-P 1","2","","","","- C46 H48 B2 -","- C46 H48 B2 -","- C46 H48 B2 -","1","0.5","","Sandra Schraff; Yu Sun; Frank Pammer","Tuning of electronic properties via labile N->B-coordination in conjugated organoboranes","Journal of Materials Chemistry C","2017","5","","1730","1741","10.1039/C6TC05418H","","","0.71073","MoKα","","0.0667","0.0509","","","0.1188","0.1307","","","","","","1.031","","","","has coordinates","231047","2020-10-21","18:00:00",""
"7235199","13.9954","0.0007","14.3264","0.0006","14.494","0.0007","69.831","0.004","78.92","0.004","85.791","0.004","2677","0.2","150","2","150","2","","","","","","","","5","P -1","-P 1","2","","","","- C60.5 H63 B2 Cl N6 -","- C60.5 H63 B2 Cl N6 -","- C121 H126 B4 Cl2 N12 -","2","1","","Sandra Schraff; Yu Sun; Frank Pammer","Tuning of electronic properties via labile N->B-coordination in conjugated organoboranes","Journal of Materials Chemistry C","2017","5","","1730","1741","10.1039/C6TC05418H","","","1.54184","CuKα","","0.0837","0.0637","","","0.1873","0.1969","","","","","","1.106","","","","has coordinates","231047","2020-10-21","18:00:00",""
"7235200","17.021","0.0003","19.9533","0.0003","15.874","0.0003","90","","96.235","0.002","90","","5359.32","0.16","293","2","293","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C55 H57 Cl3 Eu N7 O2 -","- C55 H57 Cl3 Eu N7 O2 -","- C220 H228 Cl12 Eu4 N28 O8 -","4","1","","Wei-Xu Feng; Shao-Yun Yin; Mei Pan; Hai-Ping Wang; Ya-Nan Fan; Xing-Qiang Lu; Cheng-Yong Su","PMMA-copolymerized color tunable and pure white-light emitting Eu3±Tb3+ containing Ln-metallopolymers","Journal of Materials Chemistry C","2017","5","","1742","1750","10.1039/C6TC04851J","","","0.71073","MoKα","","0.0918","0.0751","","","0.2076","0.2224","","","","","","1.069","","","","has coordinates","231049","2020-10-21","18:00:00",""
"7235201","8.8585","0.0005","11.291","0.0006","12.4815","0.0008","92.334","0.005","92.13","0.005","104.326","0.005","1207.15","0.12","293","2","293.15","","","","","","","","","4","P -1","-P 1","2","","","","- C30 H27 O P -","- C30 H27 O P -","- C60 H54 O2 P2 -","2","1","","Zeyan Zhuang; Fan Bu; Wenwen Luo; Huiren Peng; Shuming Chen; Rongrong Hu; Anjun Qin; Zujin Zhao; Ben Zhong Tang","Steric, conjugation and electronic impacts on the photoluminescence and electroluminescence properties of luminogens based on phosphindole oxide","Journal of Materials Chemistry C","2017","5","","1836","1842","10.1039/C6TC05591E","","","0.71073","MoKα","","0.0669","0.0504","","","0.1232","0.1374","","","","","","1.031","","","","has coordinates","231050","2020-10-21","18:00:00",""
"7235202","18.1818","0.0009","8.7095","0.0004","37.051","0.002","90","","99.62","0.006","90","","5784.7","0.5","170.6","","170.6","","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C38 H27 O P -","- C38 H27 O P -","- C304 H216 O8 P8 -","8","1","","Zeyan Zhuang; Fan Bu; Wenwen Luo; Huiren Peng; Shuming Chen; Rongrong Hu; Anjun Qin; Zujin Zhao; Ben Zhong Tang","Steric, conjugation and electronic impacts on the photoluminescence and electroluminescence properties of luminogens based on phosphindole oxide","Journal of Materials Chemistry C","2017","5","","1836","1842","10.1039/C6TC05591E","","","0.71073","MoKα","","0.056","0.0457","","","0.116","0.1218","","","","","","1.036","","","","has coordinates","231050","2020-10-21","18:00:00",""
"7236274","12.2069","0.0002","14.3991","0.0002","22.218","0.0004","90","","90","","90","","3905.22","0.11","100","2","100","2","","","","","","","Parasenecio rubescens","3","P 21 21 21","P 2ac 2ab","19","","Pararunine A","","- C37 H52 O13 -","- C37 H52 O13 -","- C148 H208 O52 -","4","1","","Jin, An; Wu, Wenming; Ruan, Hanli","Sesquiterpenoids and monoterpenoid coumarins from Parasenecio rubescens","RSC Advances","2017","7","9","5167","","10.1039/C6RA24833K","","","1.54178","CuKα","","0.0532","0.052","","","0.1657","0.1686","","","","","","1.055","","","","has coordinates,has disorder","235342","2020-10-21","18:00:00",""
"7236275","12.9969","0.0004","17.0693","0.0008","23.6874","0.0007","90","","90","","90","","5255","0.3","293","2","293","2","","","","","","","","6","C 2 2 21","C 2c 2","20","","","","- C24 H20 Cl3 F N O3 -","- C24 H20 Cl3 F N O3 -","- C192 H160 Cl24 F8 N8 O24 -","8","1","","Ren, Wen; Wang, Xiao-Yan; Li, Jing-Jing; Tian, Mao; Liu, Jie; Ouyang, Liang; Wang, Jin-Hui","Efficient construction of biologically important functionalized polycyclic spiro-fused carbocyclicoxindoles via an asymmetric organocatalytic quadruple-cascade reaction","RSC Advances","2017","7","4","1863","","10.1039/C6RA24910H","","","1.54184","CuKα","","0.1865","0.1558","","","0.3569","0.3935","","","","","","1.305","","","","has coordinates","235344","2020-10-21","18:00:00",""
"7236276","10.929","0.002","9.7226","0.0019","19.633","0.004","90","","101.82","0.03","90","","2041.9","0.7","153","2","153","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C13 H16 Mo4 N2 O13 -","- C13 H16 Mo4 N2 O13 -","- C52 H64 Mo16 N8 O52 -","4","1","","Zhao, Y. H.; Jin, X. C.; Chen, L.; Ding, Y. F.; Mao, Z.; Fu, H.; Ao, Y. H.","Two new molybdates based on ∞[MonO3n+1]2− units (n = 11, 4) with proton conduction under ionothermal","RSC Advances","2017","7","12","7210","","10.1039/C6RA26729G","","","0.71073","MoKα","","0.0276","0.0252","","","0.0813","0.0833","","","","","","0.951","","","","has coordinates","235347","2020-10-21","18:00:00",""
"7236277","13.2348","0.001","5.427","0.0004","29.837","0.002","90","","96.396","0.002","90","","2129.7","0.3","293","2","293","2","","","","","","","","5","P 1 2/c 1","-P 2yc","13","","","","- C18 H18 Mo11 N6 O35 -","- C18 H18 Mo11 N6 O35 -","- C36 H36 Mo22 N12 O70 -","2","0.5","","Zhao, Y. H.; Jin, X. C.; Chen, L.; Ding, Y. F.; Mao, Z.; Fu, H.; Ao, Y. H.","Two new molybdates based on ∞[MonO3n+1]2− units (n = 11, 4) with proton conduction under ionothermal","RSC Advances","2017","7","12","7210","","10.1039/C6RA26729G","","","0.71073","MoKα","","0.0426","0.0341","","","0.1367","0.1503","","","","","","0.948","","","","has coordinates","235347","2020-10-21","18:00:00",""
"7236278","6.9601","0.00016","7.10939","0.00015","27.6935","0.0007","90","","90","","90","","1370.33","0.06","101.5","","101.5","","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C15 H24 O4 -","- C15 H24 O4 -","- C60 H96 O16 -","4","1","","Li, Yong; Liu, Dong; Cheng, Zhongbin; Proksch, Peter; Lin, Wenhan","Cytotoxic trichothecene-type sesquiterpenes from the sponge-derived fungus Stachybotrys chartarum with tyrosine kinase inhibition","RSC Advances","2017","7","12","7259","","10.1039/C6RA26956G","","","1.5418","CuKα","","0.0386","0.0381","","","0.0973","0.098","","","","","","1.09","","","","has coordinates","235349","2020-10-21","18:00:00",""
"7236279","10.4204","0.0003","13.0839","0.0003","20.0354","0.0007","90","","90","","90","","2731.62","0.14","103","2","103","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C29 H38.5 O11.25 -","- C29 H38.5 O11.25 -","- C116 H154 O45 -","4","1","","Li, Yong; Liu, Dong; Cheng, Zhongbin; Proksch, Peter; Lin, Wenhan","Cytotoxic trichothecene-type sesquiterpenes from the sponge-derived fungus Stachybotrys chartarum with tyrosine kinase inhibition","RSC Advances","2017","7","12","7259","","10.1039/C6RA26956G","","","1.54184","CuKα","","0.0367","0.0351","","","0.0909","0.0925","","","","","","1.032","","","","has coordinates","235349","2020-10-21","18:00:00",""
"7236280","6.4486","0.0003","11.3707","0.001","17.7648","0.0015","90","","90","","90","","1302.61","0.17","98.8","","98.8","","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C15 H22 O4 -","- C15 H22 O4 -","- C60 H88 O16 -","4","1","","Li, Yong; Liu, Dong; Cheng, Zhongbin; Proksch, Peter; Lin, Wenhan","Cytotoxic trichothecene-type sesquiterpenes from the sponge-derived fungus Stachybotrys chartarum with tyrosine kinase inhibition","RSC Advances","2017","7","12","7259","","10.1039/C6RA26956G","","","1.54184","CuKα","","0.0419","0.0404","","","0.1036","0.1049","","","","","","1.0502","","","","has coordinates","235349","2020-10-21","18:00:00",""
"7236281","15.569","0.003","7.7545","0.0016","13.712","0.003","90","","99.11","0.03","90","","1634.6","0.6","298","2","298","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C13 H19 Co N O10 -","- C13 H19 Co N O10 -","- C52 H76 Co4 N4 O40 -","4","1","","Song, Jiang-Feng; Jia, Ying-Ying; Zhou, Rui-Sha; Li, Si-Zhe; Qiu, Xiao-Min; Liu, Jie","Six new coordination compounds based on rigid 5-(3-carboxy-phenyl)-pyridine-2-carboxylic acid: synthesis, structural variations and properties","RSC Advances","2017","7","12","7217","","10.1039/C6RA26966D","","","0.71073","MoKα","","0.0479","0.0394","","","0.091","0.0969","","","","","","1.045","","","","has coordinates","235351","2020-10-21","18:00:00",""
"7236282","35.36","0.007","11.899","0.002","7.9016","0.0016","90","","90.88","0.03","90","","3324.2","1.1","298","2","298","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C26 H32 Cd3 N2 O23 P2 -","- C26 H30 Cd3 N2 O23 P2 -","- C104 H120 Cd12 N8 O92 P8 -","4","0.5","","Song, Jiang-Feng; Jia, Ying-Ying; Zhou, Rui-Sha; Li, Si-Zhe; Qiu, Xiao-Min; Liu, Jie","Six new coordination compounds based on rigid 5-(3-carboxy-phenyl)-pyridine-2-carboxylic acid: synthesis, structural variations and properties","RSC Advances","2017","7","12","7217","","10.1039/C6RA26966D","","","0.71073","MoKα","","0.0612","0.0539","","","0.151","0.1569","","","","","","1.058","","","","has coordinates,has disorder","235351","2020-10-21","18:00:00",""
"7236283","8.3091","0.0006","7.1846","0.0006","19.0036","0.0014","90","","98.168","0.007","90","","1122.96","0.15","298","2","298","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C26 H16 Cu N2 O8 -","- C26 H16 Cu N2 O8 -","- C52 H32 Cu2 N4 O16 -","2","0.5","","Song, Jiang-Feng; Jia, Ying-Ying; Zhou, Rui-Sha; Li, Si-Zhe; Qiu, Xiao-Min; Liu, Jie","Six new coordination compounds based on rigid 5-(3-carboxy-phenyl)-pyridine-2-carboxylic acid: synthesis, structural variations and properties","RSC Advances","2017","7","12","7217","","10.1039/C6RA26966D","","","0.71073","MoKα","","0.0484","0.037","","","0.0821","0.0902","","","","","","1.095","","","","has coordinates","235351","2020-10-21","18:00:00",""
"7236284","7.7894","0.0016","12.085","0.002","14.169","0.003","82.94","0.03","81.63","0.03","89.49","0.03","1309.5","0.5","298","2","298","2","","","","","","","","5","P -1","-P 1","2","","","","- C26 H24 Cd2 N2 O13 -","- C26 H24 Cd2 N2 O13 -","- C52 H48 Cd4 N4 O26 -","2","1","","Song, Jiang-Feng; Jia, Ying-Ying; Zhou, Rui-Sha; Li, Si-Zhe; Qiu, Xiao-Min; Liu, Jie","Six new coordination compounds based on rigid 5-(3-carboxy-phenyl)-pyridine-2-carboxylic acid: synthesis, structural variations and properties","RSC Advances","2017","7","12","7217","","10.1039/C6RA26966D","","","0.71073","MoKα","","0.0322","0.025","","","0.0675","0.0819","","","","","","1.179","","","","has coordinates","235351","2020-10-21","18:00:00",""
"7236285","15.569","0.003","7.7545","0.0016","13.712","0.003","90","","99.11","0.03","90","","1634.6","0.6","298","2","298","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C13 H19 N Ni O10 -","- C13 H19 N Ni O10 -","- C52 H76 N4 Ni4 O40 -","4","1","","Song, Jiang-Feng; Jia, Ying-Ying; Zhou, Rui-Sha; Li, Si-Zhe; Qiu, Xiao-Min; Liu, Jie","Six new coordination compounds based on rigid 5-(3-carboxy-phenyl)-pyridine-2-carboxylic acid: synthesis, structural variations and properties","RSC Advances","2017","7","12","7217","","10.1039/C6RA26966D","","","0.71073","MoKα","","0.0387","0.0343","","","0.0817","0.0828","","","","","","1.136","","","","has coordinates","235351","2020-10-21","18:00:00",""
"7236286","13.136","0.003","14.882","0.003","15.283","0.003","116.26","0.03","93.42","0.03","108.77","0.03","2464","1.4","298","2","298","2","","","","","","","","5","P -1","-P 1","2","","","","- C104 H82 Mn7 N8 O44 -","- C104 H76 Mn7 N8 O44 -","- C104 H76 Mn7 N8 O44 -","1","0.5","","Song, Jiang-Feng; Jia, Ying-Ying; Zhou, Rui-Sha; Li, Si-Zhe; Qiu, Xiao-Min; Liu, Jie","Six new coordination compounds based on rigid 5-(3-carboxy-phenyl)-pyridine-2-carboxylic acid: synthesis, structural variations and properties","RSC Advances","2017","7","12","7217","","10.1039/C6RA26966D","","","0.71073","MoKα","","0.055","0.0402","","","0.0976","0.1026","","","","","","1.068","","","","has coordinates","235351","2020-10-21","18:00:00",""
"7236287","22.15","0.004","5.97","0.001","15.611","0.003","90","","90","","90","","2064.3","0.6","113","2","113","2","","","","","","","","5","P c a 21","P 2c -2ac","29","","","","- C24 H23 Cl N2 O3 -","- C24 H23 Cl N2 O3 -","- C96 H92 Cl4 N8 O12 -","4","1","","Zhao, Hong-Wu; Zhao, Yu-Di; Liu, Yue-Yang; Zhao, Li-Jiao; Feng, Ning-Ning; Pang, Hai-Liang; Chen, Xiao-Qin; Song, Xiu-Qing; Du, Juan","Facile access to novel 1,2,4-oxadiazinan-5-ones via [3 + 3] cycloaddition of in situ generated azaoxyallyl cations with nitrones","RSC Advances","2017","7","21","12916","","10.1039/C6RA27440D","","","0.71073","MoKα","","0.0231","0.0221","","","0.0583","0.0588","","","","","","1.041","","","","has coordinates","235353","2020-10-21","18:00:00",""
"7236288","17.3405","0.0015","13.6821","0.0011","25.213","0.002","90","","109.982","0.002","90","","5621.8","0.8","298","2","298","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C35 H24 Cd N6 O4 -","- C35 H24 Cd N6 O4 -","- C140 H96 Cd4 N24 O16 -","4","1","","Meng, Xiang-min; Zhang, Xia; Qi, Peng-fei; Zong, Zi-ao; Jin, Fan; Fan, Yu-hua","Syntheses, structures, luminescent and photocatalytic properties of various polymers based on a “V”-shaped dicarboxylic acid","RSC Advances","2017","7","9","4855","","10.1039/C6RA27509E","","","0.71073","MoKα","","0.1063","0.055","","","0.1251","0.1338","","","","","","1.059","","","","has coordinates,has disorder","235354","2020-10-21","18:00:00",""
"7236289","17.7764","0.0015","13.6685","0.0012","15.2008","0.0013","90","","102.863","0.002","90","","3600.8","0.5","298","2","298","2","","","","","","","","5","P 1 2/c 1","-P 2yc","13","","","","- C33 H24 Cd N4 O4 -","- C33 H24 Cd N4 O4 -","- C132 H96 Cd4 N16 O16 -","4","1","","Meng, Xiang-min; Zhang, Xia; Qi, Peng-fei; Zong, Zi-ao; Jin, Fan; Fan, Yu-hua","Syntheses, structures, luminescent and photocatalytic properties of various polymers based on a “V”-shaped dicarboxylic acid","RSC Advances","2017","7","9","4855","","10.1039/C6RA27509E","","","0.71073","MoKα","","0.1115","0.0764","","","0.2214","0.2346","","","","","","1.096","","","","has coordinates,has disorder","235354","2020-10-21","18:00:00",""
"7236290","32.919","0.003","6.8673","0.0005","21.6901","0.0019","90","","114.515","0.002","90","","4461.3","0.7","298","2","298","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C58 H40 N4 O8 Zn -","- C58 H40 N4 O8 Zn -","- C232 H160 N16 O32 Zn4 -","4","0.5","","Meng, Xiang-min; Zhang, Xia; Qi, Peng-fei; Zong, Zi-ao; Jin, Fan; Fan, Yu-hua","Syntheses, structures, luminescent and photocatalytic properties of various polymers based on a “V”-shaped dicarboxylic acid","RSC Advances","2017","7","9","4855","","10.1039/C6RA27509E","","","0.71073","MoKα","","0.0819","0.0438","","","0.0952","0.108","","","","","","1.026","","","","has coordinates","235354","2020-10-21","18:00:00",""
"7236291","14.0719","0.0013","21.6271","0.0019","9.975","0.0009","90","","90","","90","","3035.7","0.5","298","2","298","2","","","","","","","","5","I 21 21 21","I 2b 2c","24","","","","- C34 H27 Cd N4 O4.5 -","- C34 H27 Cd N4 O4.5 -","- C136 H108 Cd4 N16 O18 -","4","0.5","","Meng, Xiang-min; Zhang, Xia; Qi, Peng-fei; Zong, Zi-ao; Jin, Fan; Fan, Yu-hua","Syntheses, structures, luminescent and photocatalytic properties of various polymers based on a “V”-shaped dicarboxylic acid","RSC Advances","2017","7","9","4855","","10.1039/C6RA27509E","","","0.71073","MoKα","","0.0744","0.047","","","0.0929","0.1013","","","","","","1.068","","","","has coordinates,has disorder","235354","2020-10-21","18:00:00",""
"7236346","18.542","0.001","18.542","0.001","37.5167","0.0018","90","","90","","120","","11170.4","1","123","","123","","","","","","","","","5","R -3 m :H","-R 3 2""","166","","","","- C10 H7 Cu N O5 -","- C10 H7 Cu N O5 -","- C180 H126 Cu18 N18 O90 -","18","0.5","","Zhang, Mingxing; Chen, Cong; Wang, Qian; Fu, Wensheng; Huang, Kunlin; Zhou, Wei","A metal‒organic framework functionalized with piperazine exhibiting enhanced CH4 storage","Journal of Materials Chemistry A","2017","5","1","349","","10.1039/C6TA06037D","","","0.71073","MoKα","","0.0955","0.0803","","","0.2415","0.252","","","","","","1.081","","","","has coordinates,has disorder","235431","2020-10-21","18:00:00",""
"7236355","23.0299","0.0011","23.0299","0.0011","24.3973","0.0016","90","","90","","90","","12939.7","1.2","150","2","150","2","","","","","","","","5","I 41/a c d :2","-I 4bd 2c","142","Cobalt acetato 4-(1H-Imidazol-1-yl) benzoate","'Cobalt acetato 4-(1H-Imidazol-1-yl) benzoate'","","- C12 H10 Co N2 O4 -","- C12 H10 Co N2 O4 -","- C384 H320 Co32 N64 O128 -","32","1","","Nandi, Shyamapada; Haldar, Sattwick; Chakraborty, Debanjan; Vaidhyanathan, Ramanathan","Strategically designed azolyl-carboxylate MOFs for potential humid CO2 capture","Journal of Materials Chemistry A","2017","5","2","535","","10.1039/C6TA07145G","","","1.54178","CuKα","","0.1576","0.0727","","","0.1685","0.2015","","","","","","0.997","","","","has coordinates","235446","2020-10-21","18:00:00",""
"7236356","23.61","0.0007","23.61","0.0007","25.085","0.0007","90","","90","","90","","13983.2","0.7","150","2","150","2","","","","","","","","5","I 41/a c d :2","-I 4bd 2c","142","Magnesium acetato 4-(1H-1,2,4-triazol-1-yl)benzoate","'Magnesium acetato 4-(1H-1,2,4-triazol-1-yl)benzoate'","","- C11 H9 Mg N3 O4 -","- C11 H9 Mg N3 O4 -","- C352 H288 Mg32 N96 O128 -","32","1","","Nandi, Shyamapada; Haldar, Sattwick; Chakraborty, Debanjan; Vaidhyanathan, Ramanathan","Strategically designed azolyl-carboxylate MOFs for potential humid CO2 capture","Journal of Materials Chemistry A","2017","5","2","535","","10.1039/C6TA07145G","","","1.54178","CuKα","","0.1059","0.0912","","","0.242","0.2523","","","","","","1.123","","","","has coordinates","235446","2020-10-21","18:00:00",""
"7236357","23.3159","0.0016","23.3159","0.0016","24.8737","0.0019","90","","90","","90","","13522.1","1.7","173","2","173","2","","","","","","","","5","I 41/a c d :2","-I 4bd 2c","142","Manganese acetato 4-(1H-1,2,4-triazol-1-yl)benzoate","'Manganese acetato 4-(1H-1,2,4-triazol-1-yl)benzoate'","","- C11 H9 Mn N4 O3 -","- C11 H9 Mn N4 O3 -","- C352 H288 Mn32 N128 O96 -","32","1","","Nandi, Shyamapada; Haldar, Sattwick; Chakraborty, Debanjan; Vaidhyanathan, Ramanathan","Strategically designed azolyl-carboxylate MOFs for potential humid CO2 capture","Journal of Materials Chemistry A","2017","5","2","535","","10.1039/C6TA07145G","","","1.54178","CuKα","","0.1191","0.0687","","","0.1523","0.174","","","","","","0.966","","","","has coordinates","235446","2020-10-21","18:00:00",""
"7236358","23.1995","0.0006","23.1995","0.0006","24.6012","0.0006","90","","90","","90","","13240.8","0.6","173","2","173","2","","","","","","","","5","I 41/a c d :2","-I 4bd 2c","142","Cobalt acetato 4-(1H-1,2,4-triazol-1-yl)benzoate","'Cobalt acetato 4-(1H-1,2,4-triazol-1-yl)benzoate'","","- C11 H9 Co N3 O4 -","- C11 H9 Co N3 O4 -","- C352 H288 Co32 N96 O128 -","32","1","","Nandi, Shyamapada; Haldar, Sattwick; Chakraborty, Debanjan; Vaidhyanathan, Ramanathan","Strategically designed azolyl-carboxylate MOFs for potential humid CO2 capture","Journal of Materials Chemistry A","2017","5","2","535","","10.1039/C6TA07145G","","","1.54178","CuKα","","0.0629","0.0558","","","0.1504","0.1564","","","","","","1.081","","","","has coordinates","235446","2020-10-21","18:00:00",""
"7236359","22.889","0.003","22.889","0.003","24.907","0.003","90","","90","","90","","13049","3","173","2","173","2","","","","","","","","5","I 41/a c d :2","-I 4bd 2c","142","Mnganese acetato 4-(1H-Imidazol-1-yl) benzoate","'Mnganese acetato 4-(1H-Imidazol-1-yl) benzoate'","","- C12 H10 Mn N2 O4 -","- C12 H10 Mn N2 O4 -","- C384 H320 Mn32 N64 O128 -","32","1","","Nandi, Shyamapada; Haldar, Sattwick; Chakraborty, Debanjan; Vaidhyanathan, Ramanathan","Strategically designed azolyl-carboxylate MOFs for potential humid CO2 capture","Journal of Materials Chemistry A","2017","5","2","535","","10.1039/C6TA07145G","","","1.54178","CuKα","","0.1976","0.1016","","","0.2334","0.2792","","","","","","0.955","","","","has coordinates","235446","2020-10-21","18:00:00",""
"7236360","23.3323","0.0007","23.3323","0.0007","24.814","0.0008","90","","90","","90","","13508.6","0.7","173","2","173","2","","","","","","","","5","I 41/a c d :2","-I 4bd 2c","142","Magnesium acetato 4-(1H-Imidazol-1-yl) benzoate","'Magnesium acetato 4-(1H-Imidazol-1-yl) benzoate'","","- C12 H10 Mg N2 O4 -","- C12 H10 Mg N2 O4 -","- C384 H320 Mg32 N64 O128 -","32","1","","Nandi, Shyamapada; Haldar, Sattwick; Chakraborty, Debanjan; Vaidhyanathan, Ramanathan","Strategically designed azolyl-carboxylate MOFs for potential humid CO2 capture","Journal of Materials Chemistry A","2017","5","2","535","","10.1039/C6TA07145G","","","1.54178","CuKα","","0.067","0.0542","","","0.1385","0.1451","","","","","","1.034","","","","has coordinates","235446","2020-10-21","18:00:00",""
"7236361","9.771","0.002","7.06","0.0014","23.868","0.005","90","","97.28","0.03","90","","1633.2","0.6","","","","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C6 H17 N17 O5 -","- C6 H17 N17 O5 -","- C24 H68 N68 O20 -","4","1","","Zhang, Man; Gao, Huiqi; Li, Chuan; Fu, Wei; Tang, Liwei; Zhou, Zhiming","Towards improved explosives with a high performance: N-(3,5-dinitro-1H-pyrazol-4-yl)-1H-tetrazol-5-amine and its salts","Journal of Materials Chemistry A","2017","5","4","1769","","10.1039/C6TA07740D","","","","","","0.084","","","","","","","","","","","","","","","has coordinates","235448","2020-10-21","18:00:00",""
"7236362","8.8823","0.0018","10.952","0.002","11.675","0.002","90","","107.38","0.03","90","","1083.9","0.4","153","2","153","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C5 H2 K N9 O6 -","- C5 H2 K N9 O6 -","- C20 H8 K4 N36 O24 -","4","1","","Zhang, Man; Gao, Huiqi; Li, Chuan; Fu, Wei; Tang, Liwei; Zhou, Zhiming","Towards improved explosives with a high performance: N-(3,5-dinitro-1H-pyrazol-4-yl)-1H-tetrazol-5-amine and its salts","Journal of Materials Chemistry A","2017","5","4","1769","","10.1039/C6TA07740D","","","0.71073","MoKα","","0.0692","0.0625","","","0.1855","0.2025","","","","","","1.273","","","","has coordinates","235448","2020-10-21","18:00:00",""
"7236363","6.2881","0.0005","9.3424","0.0008","11.2935","0.0011","87.455","0.008","79.856","0.008","82.934","0.007","647.94","0.1","102.1","","102.1","","","","","","","","","4","P -1","-P 1","2","","","","- C6 H9 N15 O4 -","- C6 H9 N15 O4 -","- C12 H18 N30 O8 -","2","1","","Zhang, Man; Gao, Huiqi; Li, Chuan; Fu, Wei; Tang, Liwei; Zhou, Zhiming","Towards improved explosives with a high performance: N-(3,5-dinitro-1H-pyrazol-4-yl)-1H-tetrazol-5-amine and its salts","Journal of Materials Chemistry A","2017","5","4","1769","","10.1039/C6TA07740D","","","0.7107","MoKα","","0.0586","0.0462","","","0.1041","0.1154","","","","","","1.024","","","","has coordinates","235448","2020-10-21","18:00:00",""
"7236364","4.7451","0.0009","7.1473","0.0014","27.902","0.006","90","","90.22","0.03","90","","946.3","0.3","153","2","153","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C4 H5 N9 O5 -","- C4 H5 N9 O5 -","- C16 H20 N36 O20 -","4","1","","Zhang, Man; Gao, Huiqi; Li, Chuan; Fu, Wei; Tang, Liwei; Zhou, Zhiming","Towards improved explosives with a high performance: N-(3,5-dinitro-1H-pyrazol-4-yl)-1H-tetrazol-5-amine and its salts","Journal of Materials Chemistry A","2017","5","4","1769","","10.1039/C6TA07740D","","","0.71073","MoKα","","0.092","0.0738","","","0.1968","0.2338","","","","","","1.179","","","","has coordinates","235448","2020-10-21","18:00:00",""
"7236365","10.035","0.002","6.9626","0.0014","16.699","0.003","90","","91.6","0.03","90","","1166.3","0.4","153","2","153","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C4 H10 N10 O6 -","- C4 H10 N10 O6 -","- C16 H40 N40 O24 -","4","1","","Zhang, Man; Gao, Huiqi; Li, Chuan; Fu, Wei; Tang, Liwei; Zhou, Zhiming","Towards improved explosives with a high performance: N-(3,5-dinitro-1H-pyrazol-4-yl)-1H-tetrazol-5-amine and its salts","Journal of Materials Chemistry A","2017","5","4","1769","","10.1039/C6TA07740D","","","0.71073","MoKα","","0.0563","0.0466","","","0.1189","0.1348","","","","","","1.211","","","","has coordinates","235448","2020-10-21","18:00:00",""
"7236366","9.3074","0.0019","10.844","0.002","18.529","0.004","90","","90","","90","","1870.1","0.7","153","2","153","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C19 H16 Br F3 N2 O4 -","- C19 H16 Br F3 N2 O4 -","- C76 H64 Br4 F12 N8 O16 -","4","1","","Zhang, Man; Gao, Huiqi; Li, Chuan; Fu, Wei; Tang, Liwei; Zhou, Zhiming","Towards improved explosives with a high performance: N-(3,5-dinitro-1H-pyrazol-4-yl)-1H-tetrazol-5-amine and its salts","Journal of Materials Chemistry A","2017","5","4","1769","","10.1039/C6TA07740D","","","0.71073","MoKα","","0.0399","0.0366","","","0.1061","0.1263","","","","","","1.205","","","","has coordinates","235448","2020-10-21","18:00:00",""
"7236367","17.0993","0.0014","17.0993","0.0014","17.0993","0.0014","90","","90","","90","","4999.6","0.7","298","2","298","2","","","","","","","","5","I -4 3 m","I -4 2 3","217","","Zn/Co-ZIF","","- C48 H60 Co3 N24 Zn3 -","- C48 H60 Co3 N24 Zn3 -","- C96 H120 Co6 N48 Zn6 -","2","0.0416667","","Zhou, Kui; Mousavi, Bibimaryam; Luo, Zhixiong; Phatanasri, Shophot; Chaemchuen, Somboon; Verpoort, Francis","Characterization and properties of Zn/Co zeolitic imidazolate frameworks vs. ZIF-8 and ZIF-67","Journal of Materials Chemistry A","2017","5","3","952","","10.1039/C6TA07860E","","","0.71073","MoKα","","0.0309","0.0295","","","0.0761","0.0772","","","","","","1.117","","","","has coordinates,has disorder","235450","2020-10-21","18:00:00",""
"7236371","17.0656","0.0018","6.8365","0.0008","19.3505","0.0016","90","","93.333","0.009","90","","2253.8","0.4","105.5","","105.5","","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C4 H6 K N9 O6 -","- C4 H6 K N9 O6 -","- C32 H48 K8 N72 O48 -","8","2","","Fu, Wei; Zhao, Baojing; Zhang, Man; Li, Chuan; Gao, Huiqi; Zhang, Jun; Zhou, Zhiming","3,4-Dinitro-1-(1H-tetrazol-5-yl)-1H-pyrazol-5-amine (HANTP) and its salts: primary and secondary explosives","Journal of Materials Chemistry A","2017","5","10","5044","","10.1039/C6TA08376E","","","0.7107","MoKα","","0.1003","0.0776","","","0.1851","0.2002","","","","","","1.087","","","","has coordinates,has disorder","235457","2020-10-21","18:00:00",""
"7236372","4.7451","0.0009","7.1473","0.0014","27.902","0.006","90","","90.22","0.03","90","","946.3","0.3","153","2","153","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C4 H5 N9 O5 -","- C4 H5 N9 O5 -","- C16 H20 N36 O20 -","4","1","","Fu, Wei; Zhao, Baojing; Zhang, Man; Li, Chuan; Gao, Huiqi; Zhang, Jun; Zhou, Zhiming","3,4-Dinitro-1-(1H-tetrazol-5-yl)-1H-pyrazol-5-amine (HANTP) and its salts: primary and secondary explosives","Journal of Materials Chemistry A","2017","5","10","5044","","10.1039/C6TA08376E","","","0.71073","MoKα","","0.092","0.0738","","","0.1968","0.2338","","","","","","1.179","","","","has coordinates","235457","2020-10-21","18:00:00",""
"7236373","10.035","0.002","6.9626","0.0014","16.699","0.003","90","","91.6","0.03","90","","1166.3","0.4","153","2","153","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C4 H10 N10 O6 -","- C4 H10 N10 O6 -","- C16 H40 N40 O24 -","4","1","","Fu, Wei; Zhao, Baojing; Zhang, Man; Li, Chuan; Gao, Huiqi; Zhang, Jun; Zhou, Zhiming","3,4-Dinitro-1-(1H-tetrazol-5-yl)-1H-pyrazol-5-amine (HANTP) and its salts: primary and secondary explosives","Journal of Materials Chemistry A","2017","5","10","5044","","10.1039/C6TA08376E","","","0.71073","MoKα","","0.0563","0.0466","","","0.1189","0.1348","","","","","","1.211","","","","has coordinates","235457","2020-10-21","18:00:00",""
"7236374","8.2623","0.0007","24.641","0.002","5.6882","0.0004","90","","90","","90","","1158.07","0.16","107.6","","107.6","","","","","","","","","4","P n a 21","P 2c -2n","33","","","","- C5 H8 N12 O4 -","- C5 H8 N12 O4 -","- C20 H32 N48 O16 -","4","1","","Fu, Wei; Zhao, Baojing; Zhang, Man; Li, Chuan; Gao, Huiqi; Zhang, Jun; Zhou, Zhiming","3,4-Dinitro-1-(1H-tetrazol-5-yl)-1H-pyrazol-5-amine (HANTP) and its salts: primary and secondary explosives","Journal of Materials Chemistry A","2017","5","10","5044","","10.1039/C6TA08376E","","","0.7107","MoKα","","0.0347","0.0313","","","0.071","0.0735","","","","","","1.107","","","","has coordinates","235457","2020-10-21","18:00:00",""
"7236375","9.2793","0.0005","5.8543","0.0002","20.6029","0.0008","90","","100.757","0.004","90","","1099.56","0.08","106.2","","106.2","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C4 H6 N9 Na O6 -","- C4 H6 N9 Na O6 -","- C16 H24 N36 Na4 O24 -","4","1","","Fu, Wei; Zhao, Baojing; Zhang, Man; Li, Chuan; Gao, Huiqi; Zhang, Jun; Zhou, Zhiming","3,4-Dinitro-1-(1H-tetrazol-5-yl)-1H-pyrazol-5-amine (HANTP) and its salts: primary and secondary explosives","Journal of Materials Chemistry A","2017","5","10","5044","","10.1039/C6TA08376E","","","0.7107","MoKα","","0.0432","0.0353","","","0.0766","0.0815","","","","","","1.079","","","","has coordinates","235457","2020-10-21","18:00:00",""
"7236376","8.018","0.005","14.816","0.005","17.908","0.005","90","0.005","100.175","0.005","90","0.005","2093.9","1.6","293","2","293","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C38 H32 Cu2 N8 O18 S4 -","- C38 H28 Cu2 N8 O18 S4 -","- C76 H56 Cu4 N16 O36 S8 -","2","0.5","","Wei, Mei-Jie; Fu, Jia-Qi; Wang, Yi-Di; Gu, Jing-Yang; Liu, Bai-Ling; Zang, Hong-Ying; Zhou, En-Long; Shao, Kui-Zhan; Su, Zhong-Min","Changes of coordination modes of Cu-based coordination complexes as tuneable proton-conducting solid electrolytes","Journal of Materials Chemistry A","2017","5","3","1085","","10.1039/C6TA08581D","","","0.71069","MoKα","","0.0685","0.0411","","","0.0908","0.1011","","","","","","1.017","","","","has coordinates","235460","2020-10-21","18:00:00",""
"7236377","28.561","0.005","9.43","0.005","13.827","0.005","90","0.005","90","0.005","90","0.005","3724","2","293","2","293","2","","","","","","","","6","P c c n","-P 2ab 2ac","56","","","","- C38 H24 Cu N8 O13 S4 -","- C38 H22 Cu N8 O13 S4 -","- C152 H88 Cu4 N32 O52 S16 -","4","0.5","","Wei, Mei-Jie; Fu, Jia-Qi; Wang, Yi-Di; Gu, Jing-Yang; Liu, Bai-Ling; Zang, Hong-Ying; Zhou, En-Long; Shao, Kui-Zhan; Su, Zhong-Min","Changes of coordination modes of Cu-based coordination complexes as tuneable proton-conducting solid electrolytes","Journal of Materials Chemistry A","2017","5","3","1085","","10.1039/C6TA08581D","","","0.71069","MoKα","","0.0485","0.0374","","","0.0963","0.1022","","","","","","1.034","","","","has coordinates","235460","2020-10-21","18:00:00",""
"7236378","9.688","0.005","13.529","0.005","15.76","0.005","90","0.005","104.136","0.005","90","0.005","2003.1","1.4","293","2","293","2","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C19 H13 Cl Cu N4 O7 S2 -","- C19 H12 Cl Cu N4 O7 S2 -","- C76 H48 Cl4 Cu4 N16 O28 S8 -","4","1","","Wei, Mei-Jie; Fu, Jia-Qi; Wang, Yi-Di; Gu, Jing-Yang; Liu, Bai-Ling; Zang, Hong-Ying; Zhou, En-Long; Shao, Kui-Zhan; Su, Zhong-Min","Changes of coordination modes of Cu-based coordination complexes as tuneable proton-conducting solid electrolytes","Journal of Materials Chemistry A","2017","5","3","1085","","10.1039/C6TA08581D","","","0.71069","MoKα","","0.0518","0.034","","","0.0816","0.0885","","","","","","1.025","","","","has coordinates","235460","2020-10-21","18:00:00",""
"7236379","10.4224","0.0008","24.105","0.002","8.1188","0.0006","90","","104.085","0.005","90","","1978.4","0.3","200","2","200","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","(HxN3)2-SiPc","bis(6-azohexylacrylate) silicon phthalocyanine","","- C44 H36 N14 O4 Si -","- C44 H36 N14 O4 Si -","- C88 H72 N28 O8 Si2 -","2","0.5","","Grant, Trevor M.; Gorisse, Therese; Dautel, Olivier; Wantz, Guillaume; Lessard, Benoît H.","Multifunctional ternary additive in bulk heterojunction OPV: increased device performance and stability","Journal of Materials Chemistry A","2017","5","4","1581","","10.1039/C6TA08593H","","","0.71073","MoKα","","0.0581","0.042","","","0.1043","0.1167","","","","","","1.03","","","","has coordinates","235462","2020-10-21","18:00:00",""
"7236389","21.4934","0.0005","21.4934","0.0005","21.4934","0.0005","90","","90","","90","","9929.2","0.4","100","0.1","100","0.1","","","","","","","","5","P -4 3 n","P -4n 2 3","218","","","","- C24 H17 Al3 N3 O17.5 -","- C24 H14.0001 Al3 N3 O17.5 -","- C192 H112.001 Al24 N24 O140 -","8","0.333333","","Belmabkhout, Youssef; Pillai, Renjith S.; Alezi, Dalal; Shekhah, Osama; Bhatt, Prashant M.; Chen, Zhijie; Adil, Karim; Vaesen, Sebastien; De Weireld, Guy; Pang, Maolin; Suetin, Mikhail; Cairns, Amy J.; Solovyeva, Vera; Shkurenko, Aleksander; El Tall, Omar; Maurin, Guillaume; Eddaoudi, Mohamed","Metal‒organic frameworks to satisfy gas upgrading demands: fine-tuning thesoc-MOF platform for the operative removal of H2S","Journal of Materials Chemistry A","2017","5","7","3293","","10.1039/C6TA09406F","","","1.54178","CuKα","","0.0344","0.0332","","","0.0892","0.0902","","","","","","1.021","","","","has coordinates","235468","2020-10-21","18:00:00",""
"7236390","16.951","0.005","23.303","0.005","27.845","0.005","90","","125.992","0.011","90","","8899","4","293","2","293","2","","","","","","","","8","P 1 21/c 1","-P 2ybc","14","","","","- C18 H18 Ag16 N27 Na O67 P2 W18 -","- C18 H18 Ag16 N27 Na O67 P2 W18 -","- C72 H72 Ag64 N108 Na4 O268 P8 W72 -","4","1","","Li, Mengting; Cong, Lina; Zhao, Jiao; Zheng, Tiantian; Tian, Rui; Sha, Jingquan; Su, Zhongmin; Wang, Xinlong","Self-organization towards complex multi-fold meso-helices in the structures of Wells‒Dawson polyoxometalate-based hybrid materials for lithium-ion batteries","Journal of Materials Chemistry A","2017","5","7","3371","","10.1039/C6TA09852E","","","0.71069","MoKα","","0.1804","0.0974","","","0.2484","0.3047","","","","","","1.058","","","","has coordinates","235470","2020-10-21","18:00:00",""
"7236391","15.025","0.005","15.036","0.005","28.658","0.005","85.652","0.005","86.867","0.005","77.497","0.005","6298","3","293","2","293","2","","","","","","","","7","P -1","-P 1","2","","","","- C32 H32 Ag26 N48 O66 P2 W18 -","- C32 H32 Ag26 N48 O66 P2 W18 -","- C64 H64 Ag52 N96 O132 P4 W36 -","2","1","","Li, Mengting; Cong, Lina; Zhao, Jiao; Zheng, Tiantian; Tian, Rui; Sha, Jingquan; Su, Zhongmin; Wang, Xinlong","Self-organization towards complex multi-fold meso-helices in the structures of Wells‒Dawson polyoxometalate-based hybrid materials for lithium-ion batteries","Journal of Materials Chemistry A","2017","5","7","3371","","10.1039/C6TA09852E","","","0.71069","MoKα","","0.1069","0.0633","","","0.1539","0.1767","","","","","","0.992","","","","has coordinates","235470","2020-10-21","18:00:00",""
"7236392","10.39","0.005","11.803","0.006","11.934","0.006","82.967","0.01","81.366","0.011","87.884","0.009","1435.8","1.2","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C24 H76 Eu2 O47 P6 -","- C24 H34 Eu2 O47 P6 -","- C24 H34 Eu2 O47 P6 -","1","0.5","","Fu, Ruibiao; Hu, Shengmin; Wu, Xintao","Rapid and sensitive detection of nitroaromatic explosives by using new 3D lanthanide phosphonates","Journal of Materials Chemistry A","2017","5","5","1952","","10.1039/C6TA10152F","","","0.71073","MoKα","","0.0606","0.048","","","0.1042","0.1124","","","","","","1.082","","","","has coordinates","235472","2020-10-21","18:00:00",""
"7236393","10.35","0.02","11.94","0.03","12.75","0.03","104.97","0.04","90.47","0.02","93.06","0.03","1520","6","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C24 H76 La2 O47 P6 -","- C24 H34 La2 O47 P6 -","- C24 H34 La2 O47 P6 -","1","0.5","","Fu, Ruibiao; Hu, Shengmin; Wu, Xintao","Rapid and sensitive detection of nitroaromatic explosives by using new 3D lanthanide phosphonates","Journal of Materials Chemistry A","2017","5","5","1952","","10.1039/C6TA10152F","","","0.71073","MoKα","","0.1249","0.1099","","","0.3091","0.3246","","","","","","1.185","","","","has coordinates","235472","2020-10-21","18:00:00",""
"7236394","10.3912","0.001","11.8723","0.0004","11.879","0.0008","82.379","0.01","87.725","0.012","81.666","0.008","1436.89","0.18","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C24 H76 Nd2 O47 P6 -","- C24 H34 Nd2 O47 P6 -","- C24 H34 Nd2 O47 P6 -","1","0.5","","Fu, Ruibiao; Hu, Shengmin; Wu, Xintao","Rapid and sensitive detection of nitroaromatic explosives by using new 3D lanthanide phosphonates","Journal of Materials Chemistry A","2017","5","5","1952","","10.1039/C6TA10152F","","","0.71073","MoKα","","0.0379","0.035","","","0.0927","0.0949","","","","","","1.049","","","","has coordinates","235472","2020-10-21","18:00:00",""
"7236395","27.799","0.003","19.3811","0.0019","19.24","0.002","90","","103.381","0.002","90","","10084.6","1.8","173","","173","","","","","","","","","8","C 1 2/c 1","-C 2yc","15","","","","- C34 H66 Cl3 F6 Mg3 N O13 S2 -","- C34 H66 Cl3 F6 Mg3 N O12.5 S2 -","- C272 H528 Cl24 F48 Mg24 N8 O100 S16 -","8","1","","Mandai, Toshihiko; Akita, Yasuhiro; Yagi, Shunsuke; Egashira, Minato; Munakata, Hirokazu; Kanamura, Kiyoshi","A key concept of utilization of both non-Grignard magnesium chloride and imide salts for rechargeable Mg battery electrolytes","Journal of Materials Chemistry A","2017","5","7","3152","","10.1039/C6TA10194A","","","0.71075","MoKα","","0.1012","0.0793","","","0.255","0.2786","","","","","","1.088","","","","has coordinates","235473","2020-10-21","18:00:00",""
"7236396","12.673","0.002","12.7426","0.0019","13.598","0.002","115.976","0.002","105.206","0.003","102.326","0.003","1763.2","0.5","293","2","293","2","","","","","","","","6","P -1","-P 1","2","","","","- C26 H29 Mo N4 Ni O4.5 -","- C26 H28 Mo N4 Ni O4 -","- C52 H56 Mo2 N8 Ni2 O8 -","2","1","","Li, Xiao; Yang, Liu; Su, Tan; Wang, Xinlong; Sun, Chunyi; Su, Zhongmin","Graphene-coated hybrid electrocatalysts derived from bimetallic metal‒organic frameworks for efficient hydrogen generation","Journal of Materials Chemistry A","2017","5","10","5000","","10.1039/C6TA10405C","","","0.71073","MoKα","","0.0895","0.0503","","","0.1219","0.1375","","","","","","0.858","","","","has coordinates","235476","2020-10-21","18:00:00",""
"7236397","5.79","0.003","13.286","0.007","13.788","0.007","90","","90","","90","","1060.7","1","273","2","273","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C8 H6 N6 O4 -","- C8 H6 N6 O4 -","- C32 H24 N24 O16 -","4","1","","Kommu, Nagarjuna; Balaraju, M.; Ghule, Vikas D.; Sahoo, Akhila K.","Synthetic manifestation of nitro substituted tetrazole-N-(hetero)aryl derivatives and energetic studies","Journal of Materials Chemistry A","2017","5","16","7366","","10.1039/C6TA10621H","","","0.71073","MoKα","","0.0644","0.04","","","0.0789","0.0845","","","","","","1.019","","","","has coordinates","235480","2020-10-21","18:00:00",""
"7236398","12.78","0.002","7.1353","0.0012","11.0435","0.0018","90","","109.625","0.003","90","","948.5","0.3","273","2","273","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C7 H5 N7 O4 -","- C7 H5 N7 O4 -","- C28 H20 N28 O16 -","4","1","","Kommu, Nagarjuna; Balaraju, M.; Ghule, Vikas D.; Sahoo, Akhila K.","Synthetic manifestation of nitro substituted tetrazole-N-(hetero)aryl derivatives and energetic studies","Journal of Materials Chemistry A","2017","5","16","7366","","10.1039/C6TA10621H","","","0.71073","MoKα","","0.0711","0.0484","","","0.1082","0.1181","","","","","","1.021","","","","has coordinates","235480","2020-10-21","18:00:00",""
"7236399","7.141","0.0007","8.315","0.0007","10.267","0.0012","84.165","0.008","73.123","0.01","66.337","0.009","534.25","0.1","293","2","293","2","","","","","","","","4","P -1","-P 1","2","","","","- C8 H6 N6 O5 -","- C8 H6 N6 O5 -","- C16 H12 N12 O10 -","2","1","","Kommu, Nagarjuna; Balaraju, M.; Ghule, Vikas D.; Sahoo, Akhila K.","Synthetic manifestation of nitro substituted tetrazole-N-(hetero)aryl derivatives and energetic studies","Journal of Materials Chemistry A","2017","5","16","7366","","10.1039/C6TA10621H","","","0.71073","MoKα","","0.054","0.0469","","","0.1205","0.1297","","","","","","0.934","","","","has coordinates","235480","2020-10-21","18:00:00",""
"7236400","13.9435","0.0018","6.957","0.0006","12.8193","0.0011","90","","117.363","0.004","90","","1104.4","0.2","293","2","293","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C7 H3 N9 O4 -","- C7 H3 N9 O4 -","- C28 H12 N36 O16 -","4","1","","Kommu, Nagarjuna; Balaraju, M.; Ghule, Vikas D.; Sahoo, Akhila K.","Synthetic manifestation of nitro substituted tetrazole-N-(hetero)aryl derivatives and energetic studies","Journal of Materials Chemistry A","2017","5","16","7366","","10.1039/C6TA10621H","","","0.71073","MoKα","","0.0835","0.0712","","","0.196","0.2096","","","","","","1.117","","","","has coordinates","235480","2020-10-21","18:00:00",""
"7236401","8.162","0.007","12.424","0.011","9.201","0.008","90","","104.868","0.014","90","","901.8","1.4","273","2","273","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C8 H7 N5 O2 -","- C8 H7 N5 O2 -","- C32 H28 N20 O8 -","4","1","","Kommu, Nagarjuna; Balaraju, M.; Ghule, Vikas D.; Sahoo, Akhila K.","Synthetic manifestation of nitro substituted tetrazole-N-(hetero)aryl derivatives and energetic studies","Journal of Materials Chemistry A","2017","5","16","7366","","10.1039/C6TA10621H","","","0.71073","MoKα","","0.0714","0.0433","","","0.1006","0.1105","","","","","","0.953","","","","has coordinates","235480","2020-10-21","18:00:00",""
"7236402","13.869","0.009","5.589","0.002","14.8","0.012","90","","117.46","0.09","90","","1018","1.4","293","2","293","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C8 H6 N6 O4 -","- C8 H6 N6 O4 -","- C32 H24 N24 O16 -","4","1","","Kommu, Nagarjuna; Balaraju, M.; Ghule, Vikas D.; Sahoo, Akhila K.","Synthetic manifestation of nitro substituted tetrazole-N-(hetero)aryl derivatives and energetic studies","Journal of Materials Chemistry A","2017","5","16","7366","","10.1039/C6TA10621H","","","0.71073","MoKα","","0.1009","0.0639","","","0.1607","0.1992","","","","","","1.025","","","","has coordinates","235480","2020-10-21","18:00:00",""
"7236403","9.9081","0.0008","10.2255","0.0007","21.181","0.006","90","","90","","90","","2146","0.6","293","2","293","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C8 H6 N6 O5 -","- C8 H6 N6 O5 -","- C64 H48 N48 O40 -","8","1","","Kommu, Nagarjuna; Balaraju, M.; Ghule, Vikas D.; Sahoo, Akhila K.","Synthetic manifestation of nitro substituted tetrazole-N-(hetero)aryl derivatives and energetic studies","Journal of Materials Chemistry A","2017","5","16","7366","","10.1039/C6TA10621H","","","0.71073","MoKα","","0.0878","0.0531","","","0.1148","0.1419","","","","","","1.06","","","","has coordinates","235480","2020-10-21","18:00:00",""
"7236404","7.2628","0.0003","10.5375","0.0004","13.5924","0.0005","90","","90","","90","","1040.25","0.07","293","2","293","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C7 H3 N7 O6 -","- C7 H3 N7 O6 -","- C28 H12 N28 O24 -","4","1","","Kommu, Nagarjuna; Balaraju, M.; Ghule, Vikas D.; Sahoo, Akhila K.","Synthetic manifestation of nitro substituted tetrazole-N-(hetero)aryl derivatives and energetic studies","Journal of Materials Chemistry A","2017","5","16","7366","","10.1039/C6TA10621H","","","1.54184","CuKα","","0.0524","0.0515","","","0.1542","0.1584","","","","","","1.097","","","","has coordinates","235480","2020-10-21","18:00:00",""
"7236405","71.027","0.005","9.0269","0.0007","13.8125","0.001","90","","100.138","0.002","90","","8717.7","1.1","273","2","273","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C8 H6 N6 O5 -","- C8 H6 N6 O5 -","- C256 H192 N192 O160 -","32","4","","Kommu, Nagarjuna; Balaraju, M.; Ghule, Vikas D.; Sahoo, Akhila K.","Synthetic manifestation of nitro substituted tetrazole-N-(hetero)aryl derivatives and energetic studies","Journal of Materials Chemistry A","2017","5","16","7366","","10.1039/C6TA10621H","","","0.71073","MoKα","","0.1239","0.0863","","","0.2279","0.2568","","","","","","1.025","","","","has coordinates","235480","2020-10-21","18:00:00",""
"7236406","7.9223","0.0005","18.592","0.0011","7.561","0.0006","90","","98.73","0.002","90","","1100.77","0.13","293","2","293","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C7 H4 N8 O6 -","- C7 H3.987 N7.987 O6 -","- C28 H15.948 N31.948 O24 -","4","1","","Kommu, Nagarjuna; Balaraju, M.; Ghule, Vikas D.; Sahoo, Akhila K.","Synthetic manifestation of nitro substituted tetrazole-N-(hetero)aryl derivatives and energetic studies","Journal of Materials Chemistry A","2017","5","16","7366","","10.1039/C6TA10621H","","","0.71073","MoKα","","0.0616","0.0489","","","0.1164","0.1229","","","","","","1.064","","","","has coordinates","235480","2020-10-21","18:00:00",""
"7236407","10.4051","0.0006","11.1819","0.0007","11.9261","0.0007","97.44","0.002","102.813","0.002","103.84","0.002","1289.11","0.13","147","2","147","2","","","","","","","","5","P -1","-P 1","2","(3BS)2-SiPc","bis(tributylsilane)-silicon phthalocyanine","","- C56 H70 N8 O2 Si3 -","- C56 H70 N8 O2 Si3 -","- C56 H70 N8 O2 Si3 -","1","0.5","","Dang, Minh-Trung; Grant, Trevor M.; Yan, Han; Seferos, Dwight S.; Lessard, Benoît H.; Bender, Timothy P.","Bis(tri-n-alkylsilyl oxide) silicon phthalocyanines: a start to establishing a structure property relationship as both ternary additives and non-fullerene electron acceptors in bulk heterojunction organic photovoltaic devices","Journal of Materials Chemistry A","2017","5","24","12168","","10.1039/C6TA10739G","","","0.71073","MoKα","","0.0437","0.0323","","","0.0803","0.0887","","","","","","1.03","","","","has coordinates","235483","2020-10-21","18:00:00",""
"7236408","18.8605","0.0004","18.8605","0.0004","16.6183","0.0004","90","","90","","120","","5119.5","0.2","293","2","293","2","","","","","","","","5","P 63/m m c","-P 6c 2c","194","","","","- C42 H24 Co5 N15 O15 -","- C42 H24 Co5 N15 O15 -","- C84 H48 Co10 N30 O30 -","2","0.0833333","","Chen, Di-Ming; Zhang, Nan-Nan; Tian, Jia-Yue; Liu, Chun-Sen; Du, Miao","Pore modulation of metal‒organic frameworks towards enhanced hydrothermal stability and acetylene uptake via incorporation of different functional brackets","Journal of Materials Chemistry A","2017","5","10","4861","","10.1039/C6TA10785K","","x-ray","1.54184","CuKα","","0.0987","0.0968","","","0.2788","0.2881","","","","","","1.106","","","","has coordinates,has disorder","235485","2020-10-21","18:00:00",""
"7236409","16.7919","0.001","16.7919","0.001","18.9208","0.0013","90","","90","","120","","4620.3","0.5","293","2","293","2","","","","","","","","5","P 63/m m c","-P 6c 2c","194","","","","- C7.33 H5.33 Co0.5 N3.17 O1.17 -","- C7.3332 H5.3328 Co0.5 N3.1666 O1.16667 -","- C87.9984 H63.9936 Co6 N37.9992 O14 -","12","0.5","","Chen, Di-Ming; Zhang, Nan-Nan; Tian, Jia-Yue; Liu, Chun-Sen; Du, Miao","Pore modulation of metal‒organic frameworks towards enhanced hydrothermal stability and acetylene uptake via incorporation of different functional brackets","Journal of Materials Chemistry A","2017","5","10","4861","","10.1039/C6TA10785K","","x-ray","1.54184","CuKα","","0.0532","0.0518","","","0.1636","0.1651","","","","","","1.157","","","","has coordinates,has disorder","235485","2020-10-21","18:00:00",""
"7236410","8.1188","0.0003","13.891","0.0005","23.9522","0.0009","90","","92.0462","0.0017","90","","2699.56","0.17","123","","123","","","","","","","","F. Malzner","7","P 1 21/c 1","-P 2ybc","14","","","","- C26 H20 Cu F6 N4 P S2 -","- C26 H20 Cu F6 N4 P S2 -","- C104 H80 Cu4 F24 N16 P4 S8 -","4","1","","Malzner, Frederik J.; Prescimone, Alessandro; Constable, Edwin C.; Housecroft, Catherine E.; Willgert, Markus","Exploring simple ancillary ligands in copper-based dye-sensitized solar cells: effects of a heteroatom switch and of co-sensitization","Journal of Materials Chemistry A","2017","5","9","4671","","10.1039/C6TA10947K","","","1.54178","CuKα","","0.0888","0.0883","","0.2243","0.2242","0.2243","","","","","","0.9825","","","","has coordinates,has disorder","235487","2020-10-21","18:00:00",""
"7236411","29.0226","0.0018","14.9554","0.001","12.9437","0.0009","90","","90.929","0.004","90","","5617.4","0.6","123","","123","","","","","","","","F. Malzner","8","C 1 2/c 1","-C 2yc","15","","","","- C26.5 H21 Cl Cu F6 N4 O2 P -","- C26 H20 Cu F6 N4 O2 P -","- C208 H160 Cu8 F48 N32 O16 P8 -","8","1","","Malzner, Frederik J.; Prescimone, Alessandro; Constable, Edwin C.; Housecroft, Catherine E.; Willgert, Markus","Exploring simple ancillary ligands in copper-based dye-sensitized solar cells: effects of a heteroatom switch and of co-sensitization","Journal of Materials Chemistry A","2017","5","9","4671","","10.1039/C6TA10947K","","","1.54178","CuKα","","0.1171","0.1","","0.2359","0.2272","0.2353","","","","","","1.0095","","","","has coordinates","235487","2020-10-21","18:00:00",""
"7236412","13.9619","0.0016","41.194","0.005","17.1363","0.0016","90","","102.485","0.007","90","","9622.8","1.9","100","2","100","2","","","","","","","","5","I 1 2/a 1","-I 2ya","15","","Tripticene triacid","","- C22 H11 Co N3 O4 -","- C22 H11 Co N3 O4 -","- C176 H88 Co8 N24 O32 -","8","1","","Chandrasekhar, Pujari; Mukhopadhyay, Arindam; Savitha, Govardhan; Moorthy, Jarugu Narasimha","Orthogonal self-assembly of a trigonal triptycene triacid: signaling of exfoliation of porous 2D metal‒organic layers by fluorescence and selective CO2 capture by the hydrogen-bonded MOF","Journal of Materials Chemistry A","2017","5","11","5402","","10.1039/C6TA11110F","","","0.71073","MoKα","","0.2324","0.1388","","","0.3957","0.4319","","","","","","1.23","","","","has coordinates","235490","2020-10-21","18:00:00",""
"7236413","13.7763","0.0011","40.73","0.006","17.9835","0.0014","90","","101.209","0.002","90","","9898.2","1.8","100","2","100","2","","","","","","","","5","I 1 2/a 1","-I 2ya","15","","Tripticene triacid","","- C22 H11 Mn N3 O6 -","- C22 H11 Mn N3 O6 -","- C176 H88 Mn8 N24 O48 -","8","1","","Chandrasekhar, Pujari; Mukhopadhyay, Arindam; Savitha, Govardhan; Moorthy, Jarugu Narasimha","Orthogonal self-assembly of a trigonal triptycene triacid: signaling of exfoliation of porous 2D metal‒organic layers by fluorescence and selective CO2 capture by the hydrogen-bonded MOF","Journal of Materials Chemistry A","2017","5","11","5402","","10.1039/C6TA11110F","","","0.71073","MoKα","","0.3694","0.1177","","","0.3329","0.4213","","","","","","0.958","","","","has coordinates","235490","2020-10-21","18:00:00",""
"7236414","9.425","0.003","13.46","0.004","24.125","0.008","92.963","0.007","91.438","0.008","106.991","0.008","2920.4","1.6","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","Tripticene triacid","","- C52 H26 F12 N6 O14 -","- C52 H26 F12 N6 O14 -","- C104 H52 F24 N12 O28 -","2","1","","Chandrasekhar, Pujari; Mukhopadhyay, Arindam; Savitha, Govardhan; Moorthy, Jarugu Narasimha","Orthogonal self-assembly of a trigonal triptycene triacid: signaling of exfoliation of porous 2D metal‒organic layers by fluorescence and selective CO2 capture by the hydrogen-bonded MOF","Journal of Materials Chemistry A","2017","5","11","5402","","10.1039/C6TA11110F","","","0.71073","MoKα","","0.2597","0.1317","","","0.3206","0.3729","","","","","","0.965","","","","has coordinates","235490","2020-10-21","18:00:00",""
"7236415","14.004","0.0014","41.869","0.005","17.1369","0.0017","90","","104.489","0.003","90","","9728.4","1.8","100","2","100","2","","","","","","","","6","I 1 2/a 1","-I 2ya","15","","Tripticene triacid","","- C24 H17 Cd N3 O6 S -","- C24 H17 Cd N3 O6 S -","- C192 H136 Cd8 N24 O48 S8 -","8","1","","Chandrasekhar, Pujari; Mukhopadhyay, Arindam; Savitha, Govardhan; Moorthy, Jarugu Narasimha","Orthogonal self-assembly of a trigonal triptycene triacid: signaling of exfoliation of porous 2D metal‒organic layers by fluorescence and selective CO2 capture by the hydrogen-bonded MOF","Journal of Materials Chemistry A","2017","5","11","5402","","10.1039/C6TA11110F","","","0.71073","MoKα","","0.1801","0.1699","","","0.4741","0.4914","","","","","","2.383","","","","has coordinates,has disorder","235490","2020-10-21","18:00:00",""
"7236416","13.9438","0.0015","42.307","0.006","16.9583","0.0016","90","","104.249","0.007","90","","9696","2","100","2","100","2","","","","","","","","6","I 1 2/a 1","-I 2ya","15","","Tripticene triacid","","- C25 H13 Br Cd N3 O7 -","- C25 H13 Br Cd N3 O7 -","- C200 H104 Br8 Cd8 N24 O56 -","8","1","","Chandrasekhar, Pujari; Mukhopadhyay, Arindam; Savitha, Govardhan; Moorthy, Jarugu Narasimha","Orthogonal self-assembly of a trigonal triptycene triacid: signaling of exfoliation of porous 2D metal‒organic layers by fluorescence and selective CO2 capture by the hydrogen-bonded MOF","Journal of Materials Chemistry A","2017","5","11","5402","","10.1039/C6TA11110F","","","0.71073","MoKα","","0.2267","0.1802","","","0.4784","0.5026","","","","","","1.84","","","","has coordinates,has disorder","235490","2020-10-21","18:00:00",""
"7236417","17.4696","0.0005","17.4696","0.0005","33.7023","0.0009","90","","90","","90","","10285.5","0.5","100","10","100","10","","","","","","","","5","I -4","I -4","82","","","","- C36 H24 Cu3 N9 O6 -","- C36 H24 Cu3 N9 O6 -","- C288 H192 Cu24 N72 O48 -","8","1","","Li, Ziyin; Zhang, Zhangjing; Ye, Yingxiang; Cai, Kaicong; Du, Fenfen; Zeng, Heng; Tao, Jin; Lin, Quanjie; Zheng, Ying; Xiang, Shengchang","Rationally tuning host‒guest interactions to free hydroxide ions within intertrimerically cuprophilic metal‒organic frameworks for high OH− conductivity","Journal of Materials Chemistry A","2017","5","17","7816","","10.1039/C6TA11242K","","x-ray","1.54184","CuKα","","0.1395","0.0813","","","0.2131","0.3106","","","","","","1.127","","","","has coordinates","235493","2020-10-21","18:00:00",""
"7236418","17.2079","0.0003","17.2079","0.0003","34.0361","0.001","90","","90","","90","","10078.5","0.4","100","2","100","2","","","","","","","","5","I -4","I -4","82","","","","- C36 H24 Cu3 N9 O6 -","- C36 H24 Cu3 N9 O6 -","- C288 H192 Cu24 N72 O48 -","8","1","","Li, Ziyin; Zhang, Zhangjing; Ye, Yingxiang; Cai, Kaicong; Du, Fenfen; Zeng, Heng; Tao, Jin; Lin, Quanjie; Zheng, Ying; Xiang, Shengchang","Rationally tuning host‒guest interactions to free hydroxide ions within intertrimerically cuprophilic metal‒organic frameworks for high OH− conductivity","Journal of Materials Chemistry A","2017","5","17","7816","","10.1039/C6TA11242K","","","1.54184","CuKα","","0.1121","0.0561","","","0.1215","0.1427","","","","","","1.013","","","","has coordinates","235493","2020-10-21","18:00:00",""
"7236419","17.3245","0.0003","17.3245","0.0003","33.9396","0.0006","90","","90","","90","","10186.6","0.3","100","2","100","2","","","","","","","","5","I -4","I -4","82","","","","- C38.02 H25.15 Cu3 N9.58 O6.29 -","- C38.0181 H25.1532 Cu3 N9.5766 O6.2883 -","- C304.145 H201.226 Cu24 N76.6128 O50.3064 -","8","1","","Li, Ziyin; Zhang, Zhangjing; Ye, Yingxiang; Cai, Kaicong; Du, Fenfen; Zeng, Heng; Tao, Jin; Lin, Quanjie; Zheng, Ying; Xiang, Shengchang","Rationally tuning host‒guest interactions to free hydroxide ions within intertrimerically cuprophilic metal‒organic frameworks for high OH− conductivity","Journal of Materials Chemistry A","2017","5","17","7816","","10.1039/C6TA11242K","","","1.54184","CuKα","","0.0844","0.0611","","","0.1618","0.179","","","","","","1.033","","","","has coordinates","235493","2020-10-21","18:00:00",""
"7236437","14.8761","0.0008","9.7832","0.0008","29.3191","0.0019","90","","102.336","0.006","90","","4168.5","0.5","293.15","","293.15","","","","","","","","","4","I 1 2/a 1","-I 2ya","15","","","","- C24 H25 N O4 -","- C24 H25 N O4 -","- C192 H200 N8 O32 -","8","1","","Zhang, Wei; Wang, Na; Liu, Yan-Hong; Jiao, Shu-Yan; Zhang, Wei-Wei; Pu, Xue-Mei; Yu, Xiao-Qi","1,4-Dihydropyridines: discovery of minimal AIEEgens and their mitochondrial imaging applications","Journal of Materials Chemistry B","2017","5","3","464","","10.1039/C6TB02135B","","x-ray","1.54184","CuKα","","0.0999","0.0735","","","0.1888","0.2221","","","","","","1.045","","","","has coordinates","235511","2020-10-21","18:00:00",""
"7236438","32.5484","0.0012","32.5484","0.0012","8.2649","0.0003","90","","90","","120","","7582.8","0.5","110","","110","","","","","","","","","4","R -3 :H","-R 3","148","","","","- C17 H27 N O4 -","- C17 H27 N O4 -","- C306 H486 N18 O72 -","18","1","","Zhang, Wei; Wang, Na; Liu, Yan-Hong; Jiao, Shu-Yan; Zhang, Wei-Wei; Pu, Xue-Mei; Yu, Xiao-Qi","1,4-Dihydropyridines: discovery of minimal AIEEgens and their mitochondrial imaging applications","Journal of Materials Chemistry B","2017","5","3","464","","10.1039/C6TB02135B","","x-ray","1.54184","CuKα","","0.0779","0.069","","","0.2017","0.2154","","","","","","1.071","","","","has coordinates","235511","2020-10-21","18:00:00",""
"7236439","7.462","0.007","7.524","0.007","11.643","0.011","98.794","0.013","90.593","0.014","103.259","0.013","628.1","1","296","2","296.15","","","","","","","","","4","P -1","-P 1","2","","","","- C12 H17 N O4 -","- C12 H17 N O4 -","- C24 H34 N2 O8 -","2","1","","Zhang, Wei; Wang, Na; Liu, Yan-Hong; Jiao, Shu-Yan; Zhang, Wei-Wei; Pu, Xue-Mei; Yu, Xiao-Qi","1,4-Dihydropyridines: discovery of minimal AIEEgens and their mitochondrial imaging applications","Journal of Materials Chemistry B","2017","5","3","464","","10.1039/C6TB02135B","","","0.71073","MoKα","","0.1632","0.0822","","","0.2039","0.2523","","","","","","0.979","","","","has coordinates","235511","2020-10-21","18:00:00",""
"7236440","17.1216","0.0004","17.444","0.0004","7.8768","0.0002","90","","90","","90","","2352.56","0.1","200","2","200","2","","","","","","","","5","P c c n","-P 2ab 2ac","56","Ca3K2(gal)2(H2O)7.5","","","- C7 H9.5 Ca1.5 K O8.75 -","- C7 H2 Ca1.5 K O8.75 -","- C56 H16 Ca12 K8 O70 -","8","1","","Hidalgo, Tania; Cooper, Lucy; Gorman, Martin; Lozano-Fernández, Tamara; Simón-Vázquez, Rosana; Mouchaham, Georges; Marrot, Jérome; Guillou, Nathalie; Serre, Christian; Fertey, Pierre; González-Fernández, África; Devic, Thomas; Horcajada, Patricia","Crystal structure dependent in vitro antioxidant activity of biocompatible calcium gallate MOFs","Journal of Materials Chemistry B","2017","5","15","2813","","10.1039/C6TB03101C","","","0.71073","MoKα","","0.0994","0.0548","","","0.1558","0.1844","","","","","","1.038","","","","has coordinates,has disorder","235513","2020-10-21","18:00:00",""
"7236441","17.3088","0.0016","17.4277","0.0015","7.8949","0.0007","90","","90","","90","","2381.5","0.4","297","2","297","2","","","","","","","","5","P c c n","-P 2ab 2ac","56","","","","- C7 H9 Ca1.5 K O8.5 -","- C7 H2 Ca1.5 K O8.5 -","- C56 H16 Ca12 K8 O68 -","8","1","","Hidalgo, Tania; Cooper, Lucy; Gorman, Martin; Lozano-Fernández, Tamara; Simón-Vázquez, Rosana; Mouchaham, Georges; Marrot, Jérome; Guillou, Nathalie; Serre, Christian; Fertey, Pierre; González-Fernández, África; Devic, Thomas; Horcajada, Patricia","Crystal structure dependent in vitro antioxidant activity of biocompatible calcium gallate MOFs","Journal of Materials Chemistry B","2017","5","15","2813","","10.1039/C6TB03101C","","","0.71073","MoKα","","0.0754","0.0665","","","0.2001","0.2084","","","","","","1.076","","","","has coordinates","235513","2020-10-21","18:00:00",""
"7236442","16.865","0.002","18.865","0.002","9.523","0.0012","90","","90","","90","","3029.8","0.6","291","2","291","2","","","","","","","","6","P n a 21","P 2c -2n","33","","","","- C33 H26 Cl2 N4 O Zn -","- C33 H26 Cl2 N4 O Zn -","- C132 H104 Cl8 N16 O4 Zn4 -","4","1","","Su, Jian; Zhang, Jun; Tian, Xiaohe; Zhao, Meng; Song, Tao; Yu, Jiancan; Cui, Yuanjing; Qian, Guodong; Zhong, Hong; Luo, Lei; Zhang, Yujin; Wang, Chuankui; Li, Shengli; Yang, Jiaxiang; Zhou, Hongping; Wu, Jieying; Tian, Yupeng","A series of multifunctional coordination polymers based on terpyridine and zinc halide: second-harmonic generation and two-photon absorption properties and intracellular imaging","Journal of Materials Chemistry B","2017","5","27","5458","","10.1039/C6TB03321K","","","0.71073","MoKα","","0.1021","0.05","","","0.1105","0.1274","","","","","","0.987","","","","has coordinates","235515","2020-10-21","18:00:00",""
"7236445","14.3531","0.0008","26.4522","0.0015","20.1764","0.0012","90","","106.819","0.0011","90","","7332.7","0.7","296","2","296","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C41 H43 N3 O2 Pt -","- C41 H43 N3 O2 Pt -","- C328 H344 N24 O16 Pt8 -","8","2","","Liu, Guojun; Liang, Feng; Zhao, Yue; Hu, Hailiang; Fan, Jian; Liao, Liang-Sheng","Phosphorescent platinum(ii) complexes based on spiro linkage-containing ligands","Journal of Materials Chemistry C","2017","5","8","1944","","10.1039/C6TC04312G","","","0.71073","MoKα","","0.0786","0.0411","","","0.0831","0.0917","","","","","","0.986","","","","has coordinates,has disorder","235521","2020-10-21","18:00:00",""
"7236446","10.0732","0.0011","31.516","0.003","11.2075","0.0012","90","","99.143","0.002","90","","3512.8","0.6","296","2","296","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C42 H42 N2 O2 Pt -","- C42 H42 N2 O2 Pt -","- C168 H168 N8 O8 Pt4 -","4","2","","Liu, Guojun; Liang, Feng; Zhao, Yue; Hu, Hailiang; Fan, Jian; Liao, Liang-Sheng","Phosphorescent platinum(ii) complexes based on spiro linkage-containing ligands","Journal of Materials Chemistry C","2017","5","8","1944","","10.1039/C6TC04312G","","","0.71073","MoKα","","0.0717","0.0516","","","0.1096","0.1176","","","","","","0.996","","","","has coordinates","235521","2020-10-21","18:00:00",""
"7236447","9.6769","0.0007","28.388","0.003","15.0283","0.0011","90","","94.366","0.009","90","","4116.4","0.6","293","2","293","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","[Iridium(benzoquinoline)2(2,2?-biquinoline)][hexafluorophosphate]","","- C48 H36 F6 Ir N4 O2 P -","- C48 H36 F6 Ir N4 O2 P -","- C192 H144 F24 Ir4 N16 O8 P4 -","4","1","","Namanga, Jude E.; Gerlitzki, Niels; Mallick, Bert; Mudring, Anja-Verena","Long term stable deep red light-emitting electrochemical cells based on an emissive, rigid cationic Ir(iii) complex","Journal of Materials Chemistry C","2017","5","12","3049","","10.1039/C6TC04547B","","","0.71073","MoKα","","0.071","0.0449","","","0.1122","0.1379","","","","","","1.114","","","","has coordinates,has disorder","235524","2020-10-21","18:00:00",""
"7236448","6.1567","0.0007","7.2515","0.0008","16.757","0.002","90","","95.203","0.005","90","","745.04","0.15","293","2","293","2","","","","","","","","2","P 1 21 1","P 2yb","4","","'C24 H16'","","- C24 H16 -","- C24 H16 -","- C48 H32 -","2","1","","Xu, Wenjun; He, Yaowu; Murtaza, Imran; Zhang, Dongwei; Li, Aiyuan; Hu, Zhao; Zeng, Xingwei; Guo, Yitong; Zhu, Yanan; Liu, Ming; Meng, Hong","Phenyl substitution in tetracene: a promising strategy to boost charge mobility in thin film transistors","Journal of Materials Chemistry C","2017","5","11","2852","","10.1039/C6TC04624J","","","0.71073","MoKα","","0.2486","0.2288","","","0.6281","0.6542","","","","","","1.041","","","","has coordinates","235527","2020-10-21","18:00:00",""
"7236449","7.6675","0.0011","6.1022","0.0008","69.473","0.01","90","","92.129","0.008","90","","3248.3","0.8","293","","293","","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","C10-TBBT-V","","","- C36 H48 S3 -","- C36 H48 S3 -","- C144 H192 S12 -","4","1","","Mitsui, Chikahiko; Tsuyama, Hiroaki; Shikata, Ryoji; Murata, Yoshinori; Kuniyasu, Hiroyuki; Yamagishi, Masakazu; Ishii, Hiroyuki; Yamamoto, Akito; Hirose, Yuri; Yano, Masafumi; Takehara, Tsunayoshi; Suzuki, Takeyuki; Sato, Hiroyasu; Yamano, Akihito; Fukuzaki, Eiji; Watanabe, Tetsuya; Usami, Yoshihisa; Takeya, Jun; Okamoto, Toshihiro","High performance solution-crystallized thin-film transistors based on V-shaped thieno[3,2-f:4,5-f′]bis[1]benzothiophene semiconductors","Journal of Materials Chemistry C","2017","5","8","1903","","10.1039/C6TC04721A","","","1.54187","CuKα","","","0.1019","","","","0.2571","","","","","","0.986","","","","has coordinates","235529","2020-10-21","18:00:00",""
"7236450","15.3906","0.001","7.7582","0.0005","17.3185","0.0012","90","","109.331","0.001","90","","1951.3","0.2","293","2","293","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C72 H44 Br4 Cd4 N8 O23 -","- C72 H44 Br4 Cd4 N8 O23 -","- C72 H44 Br4 Cd4 N8 O23 -","1","0.25","","Zhang, Chenghui; Sun, Libo; Yan, Yan; Liu, Yuchuan; Liang, Zhiqiang; Liu, Yunling; Li, Jiyang","Metal‒organic frameworks based on bipyridinium carboxylate: photochromism and selective vapochromism","Journal of Materials Chemistry C","2017","5","8","2084","","10.1039/C6TC04724F","","","0.71073","MoKα","","0.0578","0.0377","","","0.0908","0.0991","","","","","","1.018","","","","has coordinates,has disorder","235531","2020-10-21","18:00:00",""
"7236451","19.575","0.004","15.17","0.003","14.24","0.003","90","","90","","90","","4228.6","1.5","293","2","293","2","","","","","","","","5","P n a 21","P 2c -2n","33","","","","- C42 H36 Cd2 N8 O16 -","- C42 H22 Cd2 N8 O16 -","- C168 H88 Cd8 N32 O64 -","4","1","","Zhang, Chenghui; Sun, Libo; Yan, Yan; Liu, Yuchuan; Liang, Zhiqiang; Liu, Yunling; Li, Jiyang","Metal‒organic frameworks based on bipyridinium carboxylate: photochromism and selective vapochromism","Journal of Materials Chemistry C","2017","5","8","2084","","10.1039/C6TC04724F","","","0.71073","MoKα","","0.1098","0.0644","","","0.1425","0.1588","","","","","","1.017","","","","has coordinates","235531","2020-10-21","18:00:00",""
"7236452","7.6455","0.0003","11.9092","0.0003","25.1027","0.0006","83.133","0.002","82.326","0.002","74.997","0.003","2179.32","0.12","173","2","173","2","","","","","","","","5","P -1","-P 1","2","","","","- C40 H75 N3 S2 Si2 -","- C40 H75 N3 S2 Si2 -","- C80 H150 N6 S4 Si4 -","2","1","","Patra, Dhananjaya; Lee, Jaehyuk; Lee, Jongbok; Sredojevic, Dusan N.; White, Andrew J. P.; Bazzi, Hassan S.; Brothers, Edward N.; Heeney, Martin; Fang, Lei; Yoon, Myung-Han; Al-Hashimi, Mohammed","Synthesis of low band gap polymers based on pyrrolo[3,2-d:4,5-d′]bisthiazole (PBTz) and thienylenevinylene (TV) for organic thin-film transistors (OTFTs)","Journal of Materials Chemistry C","2017","5","9","2247","","10.1039/C6TC04763G","","","0.71073","MoKα","","0.1175","0.0794","","","0.1612","0.1774","","","","","","1.101","","","","has coordinates","235534","2020-10-21","18:00:00",""
"7236453","6.038","0.012","10.53","0.02","11.38","0.02","73.66","0.03","86.94","0.03","87.92","0.03","693","2","293","2","293","2","","","","","","","","2","P -1","-P 1","2","","","","- C36 H38 -","- C36 H38 -","- C36 H38 -","1","0.5","","Bera, Manas Kumar; Chakraborty, Chanchal; Malik, Sudip","Solid state emissive organic fluorophores with remarkable broad color tunability based on aryl-substituted buta-1,3-diene as the central core","Journal of Materials Chemistry C","2017","5","27","6872","","10.1039/C6TC04906K","","","0.71073","MoKα","","0.1483","0.0688","","","0.1626","0.21","","","","","","0.919","","","","has coordinates","235536","2020-10-21","18:00:00",""
"7236454","6.4833","0.0005","7.3435","0.0005","32.625","0.002","90","","92.537","0.003","90","","1551.76","0.19","120","2","120","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C38 H44 N2 O2 S2 -","- C38 H44 N2 O2 S2 -","- C76 H88 N4 O4 S4 -","2","0.5","","Kovalenko, Alexander; Yumusak, Cigdem; Heinrichova, Patricie; Stritesky, Stanislav; Fekete, Ladislav; Vala, Martin; Weiter, Martin; Sariciftci, Niyazi Serdar; Krajcovic, Jozef","Adamantane substitutions: a path to high-performing, soluble, versatile and sustainable organic semiconducting materials","Journal of Materials Chemistry C","2017","5","19","4716","","10.1039/C6TC05076J","","","0.71073","MoKα","","0.0367","0.0344","","","0.0862","0.0877","","","","","","1.046","","","","has coordinates,has disorder","235539","2020-10-21","18:00:00",""
"7236455","16.1376","0.0018","16.7578","0.0019","15.9279","0.0019","90","","117.757","0.003","90","","3811.7","0.8","100","","100","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C50 H41 N3 O2 S -","- C50 H41 N3 O2 S -","- C200 H164 N12 O8 S4 -","4","1","","Kautny, Paul; Zhao, Chenyang; Schopf, Dominik; Stöger, Berthold; Horkel, Ernst; Chen, Jiangshan; Ma, Dongge; Fröhlich, Johannes; Lumpi, Daniel","Thieno[3,4-c]pyrrole-4,6-dione as novel building block for host materials for red PhOLEDs","Journal of Materials Chemistry C","2017","5","8","1997","","10.1039/C6TC05248G","","x-ray","0.71073","MoKα","","0.1669","0.0628","","","0.0523","0.0598","","","","1.99","1.99","1.5","","","","has coordinates","235544","2020-10-21","18:00:00",""
"7236456","8.5023","0.0002","17.3319","0.0004","12.118","0.0003","90","","90","","90","","1785.72","0.07","100","0.2","100","0.2","","","","","","","","5","P n m a","-P 2ac 2n","62","","","","- C10.5 H4.5 Eu0.5 N0.5 O5 -","- C10.5 H4.5 Eu0.5 N0.5 O5 -","- C84 H36 Eu4 N4 O40 -","8","1","","Yang, Yan; Chen, Lian; Jiang, Feilong; Yu, Muxin; Wan, Xiuyan; Zhang, Bo; Hong, Maochun","A family of doped lanthanide metal‒organic frameworks for wide-range temperature sensing and tunable white light emission","Journal of Materials Chemistry C","2017","5","8","1981","","10.1039/C6TC05316E","","","1.54184","CuKα","","0.0418","0.036","","","0.1393","0.1488","","","","","","1.214","","","","has coordinates","235547","2020-10-21","18:00:00",""
"7236457","8.5011","0.0003","17.2958","0.0005","12.0726","0.0003","90","","90","","90","","1775.07","0.09","100","","100","0.2","","","","","","","","5","P n m a","-P 2ac 2n","62","","","","- C21 H9 Gd N O10 -","- C21 H9 Gd N O10 -","- C84 H36 Gd4 N4 O40 -","4","0.5","","Yang, Yan; Chen, Lian; Jiang, Feilong; Yu, Muxin; Wan, Xiuyan; Zhang, Bo; Hong, Maochun","A family of doped lanthanide metal‒organic frameworks for wide-range temperature sensing and tunable white light emission","Journal of Materials Chemistry C","2017","5","8","1981","","10.1039/C6TC05316E","","","1.54184","CuKα","","0.0623","0.0467","","","0.101","0.1064","","","","","","1.157","","","","has coordinates","235547","2020-10-21","18:00:00",""
"7236458","8.5052","0.0002","17.3256","0.0004","12.0864","0.0003","90","","90","","90","","1781.02","0.07","100","0.2","100","0.2","","","","","","","","5","P n m a","-P 2ac 2n","62","","","","- C10.5 H4.5 N0.5 O5 Tb0.5 -","- C10.5 H4.5 N0.5 O5 Tb0.5 -","- C84 H36 N4 O40 Tb4 -","8","1","","Yang, Yan; Chen, Lian; Jiang, Feilong; Yu, Muxin; Wan, Xiuyan; Zhang, Bo; Hong, Maochun","A family of doped lanthanide metal‒organic frameworks for wide-range temperature sensing and tunable white light emission","Journal of Materials Chemistry C","2017","5","8","1981","","10.1039/C6TC05316E","","","1.54184","CuKα","","0.0435","0.0382","","","0.0973","0.1014","","","","","","1.071","","","","has coordinates","235547","2020-10-21","18:00:00",""
"7236459","15.1834","0.0004","15.1834","0.0004","26.5282","0.0009","90","","90","","120","","5296.3","0.3","293","2","293","2","","","","","","","","5","P 64 2 2","P 64 2 (0 0 2)","181","","","","- C32 H28 N5 O10 Tb -","- C32 H28 N5 O10 Tb -","- C192 H168 N30 O60 Tb6 -","6","0.5","","Chen, Di-Ming; Zhang, Nan-Nan; Liu, Chun-Sen; Du, Miao","Template-directed synthesis of a luminescent Tb-MOF material for highly selective Fe3+ and Al3+ ion detection and VOC vapor sensing","Journal of Materials Chemistry C","2017","5","9","2311","","10.1039/C6TC05349A","","","0.7107","MoKα","","0.0456","0.0381","","","0.1045","0.112","","","","","","1.124","","","","has coordinates,has disorder","235549","2020-10-21","18:00:00",""
"7236460","10.3376","0.0006","10.4327","0.0006","17.241","0.0012","72.432","0.002","88.856","0.003","60.397","0.002","1522.49","0.17","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","","","- C84 H60 N4 O8 Zn2 -","- C84 H60 N4 O8 Zn2 -","- C84 H60 N4 O8 Zn2 -","1","0.5","","Liu, Min; Quah, Hong Sheng; Wen, Shuangchun; Wang, Junyong; Kumar, P. Sanjay; Eda, Goki; Vittal, Jagadese J.; Ji, Wei","Nonlinear optical properties of a one-dimensional coordination polymer","Journal of Materials Chemistry C","2017","5","11","2936","","10.1039/C6TC05372F","","","0.71073","MoKα","","0.0758","0.0453","","","0.0876","0.0975","","","","","","1.008","","","","has coordinates","235551","2020-10-21","18:00:00",""
"7236461","18.061","0.004","27.381","0.006","23.825","0.005","90","","106.14","0.004","90","","11318","4","296","2","296.15","","","","","","","","","7","C 1 2/c 1","-C 2yc","15","","","","- C6 H94 Mn9 Na2 O123 Sb2 W18 -","- C6 Mn9 Na2 O123 Sb2 W18 -","- C24 Mn36 Na8 O492 Sb8 W72 -","4","0.5","","Liu, Jiancai; Luo, Jie; Han, Qing; Cao, Jing; Chen, Lijuan; Song, You; Zhao, Junwei","Coexistence of long-range ferromagnetic ordering and spin-glass behavior observed in the first inorganic‒organic hybrid 1-D oxalate-bridging nona-MnII sandwiched tungstoantimonate chain","Journal of Materials Chemistry C","2017","5","8","2043","","10.1039/C6TC05479J","","","0.71073","MoKα","","0.0727","0.0459","","","0.1148","0.1243","","","","","","1.021","","","","has coordinates","235554","2020-10-21","18:00:00",""
"7236462","15.1632","0.0004","5.75337","0.00013","12.5157","0.0003","90","","95.46","0.002","90","","1086.91","0.05","284.06","0.1","284.06","0.1","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C12 H6 O3 S2 -","- C12 H6 O3 S2 -","- C48 H24 O12 S8 -","4","1","","Mei, Xiaofei; Wang, Jingwei; Zhou, Zhonggao; Wu, Shiyi; Huang, Limei; Lin, Zhenghuan; Ling, Qidan","Diarylmaleic anhydrides: unusual organic luminescence, multi-stimuli response and photochromism","Journal of Materials Chemistry C","2017","5","8","2135","","10.1039/C6TC05519B","","x-ray","1.54184","CuKα","","0.0667","0.0599","","","0.1599","0.1721","","","","","","1.0495","","","","has coordinates","235556","2020-10-21","18:00:00",""
"7236463","7.2537","0.0003","6.7653","0.0003","15.6473","0.0007","90","","97.694","0.004","90","","760.95","0.06","292.14","0.1","292.14","0.1","","","","","","","","4","P 1 c 1","P -2yc","7","","","","- C20 H12 N2 O3 -","- C20 H12 N2 O3 -","- C40 H24 N4 O6 -","2","1","","Mei, Xiaofei; Wang, Jingwei; Zhou, Zhonggao; Wu, Shiyi; Huang, Limei; Lin, Zhenghuan; Ling, Qidan","Diarylmaleic anhydrides: unusual organic luminescence, multi-stimuli response and photochromism","Journal of Materials Chemistry C","2017","5","8","2135","","10.1039/C6TC05519B","","x-ray","1.54184","CuKα","","0.0608","0.058","","","0.1556","0.1598","","","","","","1.061","","","","has coordinates","235556","2020-10-21","18:00:00",""
"7236464","15.2208","0.0004","5.94826","0.00019","13.8485","0.0004","90","","101.601","0.003","90","","1228.19","0.06","293","2","293","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C16 H10 O3 -","- C16 H10 O3 -","- C64 H40 O12 -","4","1","","Mei, Xiaofei; Wang, Jingwei; Zhou, Zhonggao; Wu, Shiyi; Huang, Limei; Lin, Zhenghuan; Ling, Qidan","Diarylmaleic anhydrides: unusual organic luminescence, multi-stimuli response and photochromism","Journal of Materials Chemistry C","2017","5","8","2135","","10.1039/C6TC05519B","","","1.54184","CuKα","","0.0595","0.0505","","","0.1179","0.1278","","","","","","1.102","","","","has coordinates","235556","2020-10-21","18:00:00",""
"7236465","29.952","0.0002","29.952","0.0002","19.5265","0.0004","90","","90","","90","","17517.7","0.4","200","2","200","2","","","","","","","","4","P 4/n c c :2","-P 4a 2ac","130","","","","- C59 H43 N5 O2 -","- C59 H43 N5 O2 -","- C944 H688 N80 O32 -","16","1","","Huang, Jau-Jiun; Yun, Lik-Ka; Kung, Te-Jen; Chen, Chi-Lin; Lee, Jiun-Haw; Wu, Yuh-Renn; Chiu, Tien-Lung; Chou, Pi-Tai; Leung, Man-kit","Networking hole and electron hopping paths by Y-shaped host molecules: promoting blue phosphorescent organic light emitting diodes","Journal of Materials Chemistry C","2017","5","14","3600","","10.1039/C6TC05538A","","","1.54178","CuKα","","0.0944","0.062","","","0.1563","0.1815","","","","","","1.035","","","","has coordinates","235558","2020-10-21","18:00:00",""
"7236466","15.0499","0.0002","7.55959","0.0001","19.0308","0.0003","90","","90","","90","","2165.15","0.05","183","1","183","1","","","","","","","","5","P b c a","-P 2ac 2ab","61","","bis(pentafluorophenyl)dichloro-gold(iii)","","- C10 H9 Au Cl2 N2 -","- C10 H9 Au Cl2 N2 -","- C80 H72 Au8 Cl16 N16 -","8","1","","von Arx, Tobias; Szentkuti, Alexander; Zehnder, Thomas N.; Blacque, Olivier; Venkatesan, Koushik","Stable N-heterocyclic carbene (NHC) cyclometalated (C^C) gold(iii) complexes as blue–blue green phosphorescence emitters","Journal of Materials Chemistry C","2017","5","15","3765","","10.1039/C6TC05551F","","","0.71073","MoKα","","0.0279","0.0219","","","0.054","0.0577","","","","","","1.091","","","","has coordinates","288465","2023-12-21","08:39:28",""
"7236467","7.46134","0.00012","14.2119","0.0002","22.5071","0.0004","90","","90.5088","0.0018","90","","2386.55","0.07","183","1","183","1","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","(1-methyl-3-phenyl-2,3-dihydro-1H-imidazole)-bis(pentafluorophenyl)-gold(iii) dichloromethane solvate","","- C23 H11 Au Cl2 F10 N2 -","- C23 H11 Au Cl2 F10 N2 -","- C92 H44 Au4 Cl8 F40 N8 -","4","1","","von Arx, Tobias; Szentkuti, Alexander; Zehnder, Thomas N.; Blacque, Olivier; Venkatesan, Koushik","Stable N-heterocyclic carbene (NHC) cyclometalated (C^C) gold(iii) complexes as blue‒blue green phosphorescence emitters","Journal of Materials Chemistry C","2017","5","15","3765","","10.1039/C6TC05551F","","","1.54184","CuKα","","0.033","0.0322","","","0.0846","0.0853","","","","","","1.129","","","","has coordinates","235561","2020-10-21","18:00:00",""
"7236468","12.6163","0.0002","6.87229","0.0001","15.3236","0.0003","90","","111.884","0.002","90","","1232.86","0.04","183","1","183","1","","","","","","","","5","P 1 21/m 1","-P 2yb","11","","(1-methyl-3-phenyl-2,3-dihydro-1H-imidazole)-bis(4-fluorophenylethynyl)-gold(iii) hexane solvate 2:1","","- C29 H24 Au F2 N2 -","- C29 H24 Au F2 N2 -","- C58 H48 Au2 F4 N4 -","2","0.5","","von Arx, Tobias; Szentkuti, Alexander; Zehnder, Thomas N.; Blacque, Olivier; Venkatesan, Koushik","Stable N-heterocyclic carbene (NHC) cyclometalated (C^C) gold(iii) complexes as blue‒blue green phosphorescence emitters","Journal of Materials Chemistry C","2017","5","15","3765","","10.1039/C6TC05551F","","","1.54184","CuKα","","0.0251","0.0243","","","0.0641","0.0647","","","","","","1.08","","","","has coordinates,has disorder","235561","2020-10-21","18:00:00",""
"7236469","7.9815","0.0002","19.0268","0.0004","9.0159","0.0002","90","","109.315","0.003","90","","1292.11","0.06","183","1","183","1","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","(1-phenyl-3-methylimidazolin-2-ylidene)-trichloro-gold(iii)","","- C10 H10 Au Cl3 N2 -","- C10 H10 Au Cl3 N2 -","- C40 H40 Au4 Cl12 N8 -","4","1","","von Arx, Tobias; Szentkuti, Alexander; Zehnder, Thomas N.; Blacque, Olivier; Venkatesan, Koushik","Stable N-heterocyclic carbene (NHC) cyclometalated (C^C) gold(iii) complexes as blue‒blue green phosphorescence emitters","Journal of Materials Chemistry C","2017","5","15","3765","","10.1039/C6TC05551F","","","0.71073","MoKα","","0.0225","0.0208","","","0.0483","0.049","","","","","","1.138","","","","has coordinates","235561","2020-10-21","18:00:00",""
"7236470","8.9263","0.0002","9.1203","0.0002","13.5093","0.0002","89.5116","0.0017","84.5109","0.0016","77.147","0.002","1067.23","0.04","183","1","183","1","","","","","","","","5","P -1","-P 1","2","","(1-phenyl-3-methylimidazolin-2-ylidene)-chloro-gold(i)","","- C10 H10 Au Cl N2 -","- C10 H10 Au Cl N2 -","- C40 H40 Au4 Cl4 N8 -","4","2","","von Arx, Tobias; Szentkuti, Alexander; Zehnder, Thomas N.; Blacque, Olivier; Venkatesan, Koushik","Stable N-heterocyclic carbene (NHC) cyclometalated (C^C) gold(iii) complexes as blue‒blue green phosphorescence emitters","Journal of Materials Chemistry C","2017","5","15","3765","","10.1039/C6TC05551F","","","0.71073","MoKα","","0.0294","0.0255","","","0.0649","0.0674","","","","","","1.025","","","","has coordinates","235561","2020-10-21","18:00:00",""
"7236471","31.2423","0.0017","13.269","0.0007","14.5873","0.0007","90","","102.587","0.005","90","","5901.9","0.5","183","1","183","1","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","(3,4-dibenzofurandiyl(3-methyl-1H-imidazol-2-ylidene))- bis(pentafluorophenyl)-gold(iii) pentane solvate 4:1","","- C117 H56 Au4 F40 N8 O4 -","- C117 H56 Au4 F40 N8 O4 -","- C234 H112 Au8 F80 N16 O8 -","2","0.25","","von Arx, Tobias; Szentkuti, Alexander; Zehnder, Thomas N.; Blacque, Olivier; Venkatesan, Koushik","Stable N-heterocyclic carbene (NHC) cyclometalated (C^C) gold(iii) complexes as blue‒blue green phosphorescence emitters","Journal of Materials Chemistry C","2017","5","15","3765","","10.1039/C6TC05551F","","","0.71073","MoKα","","0.08","0.0454","","","0.1252","0.1379","","","","","","1.049","","","","has coordinates,has disorder","235561","2020-10-21","18:00:00",""
"7236472","14.9429","0.0004","13.383","0.0004","27.7426","0.0013","90","","93.587","0.003","90","","5537.1","0.3","183","1","183","1","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","(3,4-dibenzofurandiyl(3-methyl-1H-imidazol-2-ylidene))-pentafluorophenyl-(4-fluorophenylethynyl)-gold(iii) dichloromethane solvate 4:1","","- C121 H62 Au4 Cl2 F24 N8 O4 -","- C121 H62 Au4 Cl2 F24 N8 O4 -","- C242 H124 Au8 Cl4 F48 N16 O8 -","2","0.5","","von Arx, Tobias; Szentkuti, Alexander; Zehnder, Thomas N.; Blacque, Olivier; Venkatesan, Koushik","Stable N-heterocyclic carbene (NHC) cyclometalated (C^C) gold(iii) complexes as blue‒blue green phosphorescence emitters","Journal of Materials Chemistry C","2017","5","15","3765","","10.1039/C6TC05551F","","x-ray","1.54184","CuKα","","0.0837","0.0732","","","0.2042","0.2139","","","","","","1.047","","","","has coordinates,has disorder","235561","2020-10-21","18:00:00",""
"7236473","10.1622","0.0002","14.9458","0.0004","22.776","0.0006","90","","90","","90","","3459.27","0.15","183","1","183","1","","","","","","","","4","P b c a","-P 2ac 2ab","61","","1-(9,9-dimethyl-9H-fluoren-1-yl)-3-methyl-2,3-dihydro-1H-imidazol-2-ylium iodide","","- C19 H19 I N2 -","- C19 H19 I N2 -","- C152 H152 I8 N16 -","8","1","","von Arx, Tobias; Szentkuti, Alexander; Zehnder, Thomas N.; Blacque, Olivier; Venkatesan, Koushik","Stable N-heterocyclic carbene (NHC) cyclometalated (C^C) gold(iii) complexes as blue‒blue green phosphorescence emitters","Journal of Materials Chemistry C","2017","5","15","3765","","10.1039/C6TC05551F","","x-ray","0.71073","MoKα","","0.0347","0.0292","","","0.0784","0.0818","","","","","","1.051","","","","has coordinates","235561","2020-10-21","18:00:00",""
"7236474","7.42395","0.00015","9.7184","0.00019","11.1571","0.0002","75.03","0.0016","73.7053","0.0017","69.5966","0.0018","712.55","0.03","183","1","183","1","","","","","","","","6","P -1","-P 1","2","","chloro[1-(dibenzo[b,d]furan-4-yl)-3-methyl-2,3-dihydro-1H-imidazol-2-yl]-gold(i)","","- C16 H12 Au Cl N2 O -","- C16 H12 Au Cl N2 O -","- C32 H24 Au2 Cl2 N4 O2 -","2","1","","von Arx, Tobias; Szentkuti, Alexander; Zehnder, Thomas N.; Blacque, Olivier; Venkatesan, Koushik","Stable N-heterocyclic carbene (NHC) cyclometalated (C^C) gold(iii) complexes as blue‒blue green phosphorescence emitters","Journal of Materials Chemistry C","2017","5","15","3765","","10.1039/C6TC05551F","","","0.71073","MoKα","","0.0183","0.0166","","","0.0401","0.0409","","","","","","1.07","","","","has coordinates","235561","2020-10-21","18:00:00",""
"7236475","12.4966","0.0004","10.2798","0.0003","13.1496","0.0003","90","","90.296","0.003","90","","1689.21","0.08","183","1","183","1","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","trichloro[1-(dibenzo[b,d]furan-4-yl)-3-methyl-2,3-dihydro-1H-imidazol-2-yl]-gold(iii)","","- C16 H12 Au Cl3 N2 O -","- C16 H12 Au Cl3 N2 O -","- C64 H48 Au4 Cl12 N8 O4 -","4","1","","von Arx, Tobias; Szentkuti, Alexander; Zehnder, Thomas N.; Blacque, Olivier; Venkatesan, Koushik","Stable N-heterocyclic carbene (NHC) cyclometalated (C^C) gold(iii) complexes as blue‒blue green phosphorescence emitters","Journal of Materials Chemistry C","2017","5","15","3765","","10.1039/C6TC05551F","","","0.71073","MoKα","","0.0302","0.0239","","","0.0555","0.0585","","","","","","1.069","","","","has coordinates","235561","2020-10-21","18:00:00",""
"7236476","17.61694","0.0002","7.56666","0.00009","14.878","0.0002","90","","90","","90","","1983.26","0.04","183","1","183","1","","","","","","","","5","P c a 21","P 2c -2ac","29","","trichloro[1-(9,9-dimethyl-9H-fluoren-1-yl)-3-methyl-2,3-dihydro-1H-imidazol-2-yl]-gold(iii)","","- C19 H18 Au Cl3 N2 -","- C19 H18 Au Cl3 N2 -","- C76 H72 Au4 Cl12 N8 -","4","1","","von Arx, Tobias; Szentkuti, Alexander; Zehnder, Thomas N.; Blacque, Olivier; Venkatesan, Koushik","Stable N-heterocyclic carbene (NHC) cyclometalated (C^C) gold(iii) complexes as blue‒blue green phosphorescence emitters","Journal of Materials Chemistry C","2017","5","15","3765","","10.1039/C6TC05551F","","x-ray","0.71073","MoKα","","0.0167","0.0149","","","0.0325","0.0333","","","","","","1.036","","","","has coordinates","235561","2020-10-21","18:00:00",""
"7236477","10.8029","0.0004","15.9579","0.0005","14.6015","0.0003","90","","90","","90","","2517.18","0.13","173","2","173","2","","","","","","","","5","C m c 21","C 2c -2","36","","","","- C19.09 H34 Cl N O12.22 -","- C19.09 H34 Cl N O12.218 -","- C76.36 H136 Cl4 N4 O48.872 -","4","0.5","","Khan, Tariq; Asghar, Muhammad Adnan; Sun, Zhihua; Zeb, Aurang; Ji, Chengmin; Luo, Junhua","A supra-molecular switchable dielectric material with non-linear optical properties","Journal of Materials Chemistry C","2017","5","11","2865","","10.1039/C6TC05574E","","","1.54184","CuKα","","0.0875","0.0823","","","0.2434","0.2538","","","","","","1.944","","","","has coordinates,has disorder","235565","2020-10-21","18:00:00",""
"7236478","31.3826","0.0003","14.5065","0.0001","10.7933","0.0001","90","","90","","90","","4913.67","0.07","173","2","173","2","","","","","","","","5","P n 21 a","P -2ac -2n","33","","","","- C35 H73 Cl2 N7 O18 -","- C36 H71 Cl2 N2 O22 -","- C144 H284 Cl8 N8 O88 -","4","1","","Khan, Tariq; Asghar, Muhammad Adnan; Sun, Zhihua; Zeb, Aurang; Ji, Chengmin; Luo, Junhua","A supra-molecular switchable dielectric material with non-linear optical properties","Journal of Materials Chemistry C","2017","5","11","2865","","10.1039/C6TC05574E","","","1.54184","CuKα","","0.0642","0.0612","","","0.179","0.1836","","","","","","1.006","","","","has coordinates","235565","2020-10-21","18:00:00",""
"7236479","7.5618","0.0009","9.5721","0.0011","32.633","0.004","90","","92.446","0.003","90","","2359.9","0.5","173","2","173","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","9-phenanthrenyl-1,2,3,5-dithiadiazolyl","","","- C15 H9 N2 S2 -","- C15 H9 N2 S2 -","- C120 H72 N16 S16 -","8","2","","Beldjoudi, Yassine; Osorio-Román, Igor; Nascimento, Mitchell A.; Rawson, Jeremy M.","A fluorescent dithiadiazolyl radical: structure and optical properties of phenanthrenyl dithiadiazolyl in solution and polymer composites","Journal of Materials Chemistry C","2017","5","11","2794","","10.1039/C6TC05576A","","","0.71073","MoKα","","0.0797","0.0612","","","0.1316","0.1393","","","","","","1.127","","","","has coordinates","235567","2020-10-21","18:00:00",""
"7236480","30.773","0.002","9.3088","0.0004","30.411","0.002","90","","111.272","0.008","90","","8118","0.9","294","2","294","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C33 H29 O10 Tb -","- C33 H29 O10 Tb -","- C264 H232 O80 Tb8 -","8","1","","Chen, Min; Xu, Wen-Ming; Tian, Jia-Yue; Cui, Hui; Zhang, Jiao-Xing; Liu, Chun-Sen; Du, Miao","A terbium(iii) lanthanide‒organic framework as a platform for a recyclable multi-responsive luminescent sensor","Journal of Materials Chemistry C","2017","5","8","2015","","10.1039/C6TC05615F","","","1.54184","CuKα","","0.1023","0.0935","","","0.2304","0.2403","","","","","","0.841","","","","has coordinates","235570","2020-10-21","18:00:00",""
"7236481","9.774","0.002","14.218","0.003","14.357","0.003","90.59","0.03","105.4","0.03","104.73","0.03","1853.8","0.8","293","2","293","2","","","","","","","","3","P -1","-P 1","2","","","","- C53 H35 N3 -","- C53 H35 N3 -","- C106 H70 N6 -","2","1","","Li, Chenglong; Li, Zhiqiang; Yan, Xianju; Zhang, Yuewei; Zhang, Zuolun; Wang, Yue","Structurally simple non-doped sky-blue OLEDs with high luminance and efficiencies at low driving voltages","Journal of Materials Chemistry C","2017","5","8","1973","","10.1039/C6TC05639C","","","0.71073","MoKα","","0.0835","0.0517","","","0.1257","0.145","","","","","","1.055","","","","has coordinates","235572","2020-10-21","18:00:00",""
"7236482","9.0678","0.0018","13.681","0.003","16.569","0.003","94.64","0.03","102.84","0.03","106.29","0.03","1901","0.8","293","2","293","2","","","","","","","","3","P -1","-P 1","2","","","","- C53 H33 N3 -","- C53 H33 N3 -","- C106 H66 N6 -","2","1","","Li, Chenglong; Li, Zhiqiang; Yan, Xianju; Zhang, Yuewei; Zhang, Zuolun; Wang, Yue","Structurally simple non-doped sky-blue OLEDs with high luminance and efficiencies at low driving voltages","Journal of Materials Chemistry C","2017","5","8","1973","","10.1039/C6TC05639C","","","0.71073","MoKα","","0.1744","0.0753","","","0.1752","0.2337","","","","","","1.018","","","","has coordinates","235572","2020-10-21","18:00:00",""
"7236483","9.4004","0.0019","11.442","0.002","21.172","0.004","82.07","0.03","84.57","0.03","87.47","0.03","2244.2","0.8","293","2","293","2","","","","","","","","4","P -1","-P 1","2","","","","- C56.5 H40.5 Cl1.5 S -","- C56.5 H40.5 Cl1.5 S -","- C113 H81 Cl3 S2 -","2","1","","Li, Jinyu; Shan, Tong; Yao, Mingming; Gao, Yu; Han, Xiao; Yang, Bing; Lu, Ping","The effect of different binding sites on the optical and electronic properties of tetraphenylethylene-substituted thiophene isomers","Journal of Materials Chemistry C","2017","5","10","2552","","10.1039/C6TC05653A","","","0.71073","MoKα","","0.1313","0.0713","","","0.2139","0.2663","","","","","","1.002","","","","has coordinates,has disorder","235574","2020-10-21","18:00:00",""
"7236484","11.335","0.002","11.899","0.002","16.207","0.003","78.13","0.03","76.41","0.03","86.87","0.03","2079.2","0.7","293","2","293","2","","","","","","","","3","P -1","-P 1","2","","","","- C56 H40 S -","- C56 H40 S -","- C112 H80 S2 -","2","1","","Li, Jinyu; Shan, Tong; Yao, Mingming; Gao, Yu; Han, Xiao; Yang, Bing; Lu, Ping","The effect of different binding sites on the optical and electronic properties of tetraphenylethylene-substituted thiophene isomers","Journal of Materials Chemistry C","2017","5","10","2552","","10.1039/C6TC05653A","","","0.71073","MoKα","","0.1138","0.0583","","","0.1505","0.1778","","","","","","1.044","","","","has coordinates","235574","2020-10-21","18:00:00",""
"7236485","12.154","0.002","13.157","0.003","14.471","0.003","67.38","0.03","83.54","0.03","79.95","0.03","2100.7","0.9","293","2","293","2","","","","","","","","3","P -1","-P 1","2","M2","3,4-bis(4-(1,2,2-triphenylvinyl)phenyl)thiophene","","- C56 H40 S -","- C56 H40 S -","- C112 H80 S2 -","2","1","","Li, Jinyu; Shan, Tong; Yao, Mingming; Gao, Yu; Han, Xiao; Yang, Bing; Lu, Ping","The effect of different binding sites on the optical and electronic properties of tetraphenylethylene-substituted thiophene isomers","Journal of Materials Chemistry C","2017","5","10","2552","","10.1039/C6TC05653A","","","0.71073","MoKα","","0.1261","0.0602","","","0.1576","0.1962","","","","","","0.985","","","","has coordinates","235576","2020-10-21","18:00:00",""
"7236486","9.6879","0.0006","10.8287","0.0008","12.5904","0.0008","109.624","0.007","101.816","0.006","94.794","0.006","1201.01","0.16","298","2","298","2","","","","","","","","3","P -1","-P 1","2","","","","- C31 H25 Br -","- C31 H25 Br -","- C62 H50 Br2 -","2","1","","Zubair Khalid Baig, M.; Majhi, Debashis; Tulichala, R. N. Prasad; Sarkar, Moloy; Chakravarty, Manab","Easy access to new anthracenyl π-conjugates: generation of distinct AIE-active materials","Journal of Materials Chemistry C","2017","5","9","2380","","10.1039/C6TC05671G","","","1.54178","CuKα","","0.096","0.0823","","","0.2263","0.2415","","","","","","1.082","","","","has coordinates","235578","2020-10-21","18:00:00",""
"7236487","8.5335","0.0004","27.1807","0.0014","8.7807","0.0004","90","","108.756","0.002","90","","1928.5","0.16","298","2","298","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C26 H17 Br O -","- C26 H17 Br O -","- C104 H68 Br4 O4 -","4","1","","Zubair Khalid Baig, M.; Majhi, Debashis; Tulichala, R. N. Prasad; Sarkar, Moloy; Chakravarty, Manab","Easy access to new anthracenyl π-conjugates: generation of distinct AIE-active materials","Journal of Materials Chemistry C","2017","5","9","2380","","10.1039/C6TC05671G","","","0.71073","MoKα","","0.0902","0.0721","","","0.1739","0.1888","","","","","","1.105","","","","has coordinates","235578","2020-10-21","18:00:00",""
"7236488","32.4215","0.0006","9.5567","0.0002","25.2788","0.0004","90","","90","","90","","7832.4","0.3","173","2","173","2","","","","","","","","6","C m c e","-C 2ac 2","64","","","","- C80 H66 Br4 N14 O8 Zn2 -","- C80 H66 Br4 N14 O8 Zn2 -","- C320 H264 Br16 N56 O32 Zn8 -","4","0.25","","Lee, Jeong Jun; Choi, Daye; Lee, Haeri; Jung, Ok-Sang","Coordination-cyclodimeric array containing both channels and cages: photoluminescence recognition of diiodomethane","CrystEngComm","2017","19","23","3117","","10.1039/C7CE00616K","","","0.71073","MoKα","","0.1249","0.0873","","","0.2458","0.2892","","","","","","1.024","","","","has coordinates","235610","2020-10-21","18:00:00",""
"7236489","32.2944","0.0008","9.5094","0.0002","25.206","0.0006","90","","90","","90","","7740.8","0.3","173","2","173","2","","","","","","","","6","C m c e","-C 2ac 2","64","","","","- C80 H66 Cl4 N14 O8 Zn2 -","- C80 H62 Cl4 N14 O8 Zn2 -","- C320 H248 Cl16 N56 O32 Zn8 -","4","0.25","","Lee, Jeong Jun; Choi, Daye; Lee, Haeri; Jung, Ok-Sang","Coordination-cyclodimeric array containing both channels and cages: photoluminescence recognition of diiodomethane","CrystEngComm","2017","19","23","3117","","10.1039/C7CE00616K","","","0.71073","MoKα","","0.0977","0.0681","","","0.1963","0.2219","","","","","","1.052","","","","has coordinates","235610","2020-10-21","18:00:00",""
"7236490","32.2573","0.0004","9.3547","0.0001","25.2417","0.0003","90","","90","","90","","7616.87","0.15","173","2","173","2","","","","","","","","6","C m c e","-C 2ac 2","64","","","","- C76 H60 I4 N12 O8 Zn2 -","- C76 H60 I4 N12 O8 Zn2 -","- C304 H240 I16 N48 O32 Zn8 -","4","0.25","","Lee, Jeong Jun; Choi, Daye; Lee, Haeri; Jung, Ok-Sang","Coordination-cyclodimeric array containing both channels and cages: photoluminescence recognition of diiodomethane","CrystEngComm","2017","19","23","3117","","10.1039/C7CE00616K","","","0.71073","MoKα","","0.092","0.0726","","","0.2108","0.2358","","","","","","1.049","","","","has coordinates,has disorder","235610","2020-10-21","18:00:00",""
"7236491","13.068","0.002","8.854","0.002","18.676","0.004","90","","90","","90","","2160.9","0.7","353","2","353","2","","","","","","","synthesis as described","5","P b c a","-P 2ac 2ab","61","","","","- C12 H14 B2 Fe N18 -","- C12 H14 B2 Fe N18 -","- C48 H56 B8 Fe4 N72 -","4","0.5","","Rat, S.; Ridier, K.; Vendier, L.; Molnár, G.; Salmon, L.; Bousseksou, A.","Solvatomorphism and structural-spin crossover property relationship in bis[hydrotris(1,2,4-triazol-1-yl)borate]iron(ii)","CrystEngComm","2017","19","24","3271","","10.1039/C7CE00741H","","","0.71073","MoKα","","0.0794","0.0628","","","0.1828","0.2155","","","","","","1.043","","","","has coordinates","235612","2020-10-21","18:00:00",""
"7236492","13.3332","0.0004","8.7654","0.0002","17.6823","0.0005","90","","90","","90","","2066.55","0.1","296","2","296","2","","","","","","","synthesis as described","5","P b c a","-P 2ac 2ab","61","","","","- C12 H14 B2 Fe N18 -","- C12 H14 B2 Fe N18 -","- C48 H56 B8 Fe4 N72 -","4","0.5","","Rat, S.; Ridier, K.; Vendier, L.; Molnár, G.; Salmon, L.; Bousseksou, A.","Solvatomorphism and structural-spin crossover property relationship in bis[hydrotris(1,2,4-triazol-1-yl)borate]iron(ii)","CrystEngComm","2017","19","24","3271","","10.1039/C7CE00741H","","","0.71073","MoKα","","0.0367","0.0267","","","0.0735","0.0802","","","","","","1.026","","","","has coordinates","235612","2020-10-21","18:00:00",""
"7236493","10.914","0.0009","20.5461","0.0015","11.5001","0.0008","90","","90","","90","","2578.8","0.3","293","2","293","2","","","","","","","synthesis as described","6","C m c e","-C 2ac 2","64","","","","- C12 H26 B2 Fe N18 O6 -","- C12 H26 B2 Fe N18 O6 -","- C48 H104 B8 Fe4 N72 O24 -","4","0.25","","Rat, S.; Ridier, K.; Vendier, L.; Molnár, G.; Salmon, L.; Bousseksou, A.","Solvatomorphism and structural-spin crossover property relationship in bis[hydrotris(1,2,4-triazol-1-yl)borate]iron(ii)","CrystEngComm","2017","19","24","3271","","10.1039/C7CE00741H","","","0.71073","MoKα","","0.0476","0.0356","","","0.0884","0.095","","","","","","1.028","","","","has coordinates","235612","2020-10-21","18:00:00",""
"7236494","14.738","0.002","14.738","0.002","12.257","0.003","90","","90","","120","","2305.6","0.7","293","2","293","2","","","","","","","","5","P 62 2 2","P 62 2 (0 0 4)","180","","In-BDC-NH2","","- C12 H8.25 In0.75 N1.5 O6 -","- C12 H8.2503 In0.75 N1.5 O6 -","- C48 H33.0012 In3 N6 O24 -","4","0.333333","","Krüger, Martin; Albat, Martin; Inge, A. Ken; Stock, Norbert","Investigation of the effect of polar functional groups on the crystal structures of indium MOFs","CrystEngComm","2017","19","31","4622","","10.1039/C7CE01067B","","","0.71073","MoKα","","0.0317","0.0281","","","0.0677","0.0682","","","","","","0.966","","","","has coordinates,has disorder","235616","2020-10-21","18:00:00",""
"7236495","6.7","0.0013","9.21","0.0018","15.04","0.003","78.47","0.03","78.31","0.03","89.31","0.03","890.1","0.3","293","2","293","2","","","","","","","","4","P -1","-P 1","2","","H2BDC-NH2/NO2","","- C8 H6 N2 O6 -","- C8 H6 N2 O6 -","- C32 H24 N8 O24 -","4","2","","Krüger, Martin; Albat, Martin; Inge, A. Ken; Stock, Norbert","Investigation of the effect of polar functional groups on the crystal structures of indium MOFs","CrystEngComm","2017","19","31","4622","","10.1039/C7CE01067B","","","0.71073","MoKα","","0.0842","0.0586","","","0.1591","0.1801","","","","","","1.026","","","","has coordinates","235616","2020-10-21","18:00:00",""
"7236496","24.8947","0.0001","24.8947","0.0001","24.8947","0.0001","90","","90","","90","","15428.4","0.11","100","2","100","2","","","","","","","","5","I -4 3 m","I -4 2 3","217","","","","- C36 H12 In3 N9 O28 -","- C33 H12 In3 N9 O28 -","- C264 H96 In24 N72 O224 -","8","0.166667","","Krüger, Martin; Albat, Martin; Inge, A. Ken; Stock, Norbert","Investigation of the effect of polar functional groups on the crystal structures of indium MOFs","CrystEngComm","2017","19","31","4622","","10.1039/C7CE01067B","","","0.6889","synchrotron","","0.0343","0.0336","","","0.097","0.0979","","","","","","1.104","","","","has coordinates,has disorder","235616","2020-10-21","18:00:00",""
"7236497","6.0405","0.0002","7.9031","0.0002","17.1183","0.001","95.991","0.004","96.311","0.004","107.186","0.004","767.88","0.06","100","2","100","2","","","","","","","","6","P -1","-P 1","2","","[(p-cymene)bis(chlorido)(cytosine-kN4)ruthenium(II)]","","- C14 H19 Cl2 N3 O Ru -","- C14 H19 Cl2 N3 O Ru -","- C28 H38 Cl4 N6 O2 Ru2 -","2","1","","Sce, Fabio; Beobide, Garikoitz; Castillo, Oscar; de Pedro, Imanol; Pérez-Yáñez, Sonia; Reyes, Efraim","Supramolecular architectures based on p-cymene/ruthenium complexes functionalized with nucleobases","CrystEngComm","2017","19","40","6039","","10.1039/C7CE01496A","","","0.71073","MoKα","","0.036","0.03","","","0.0615","0.0645","","","","","","1.068","","","","has coordinates","235620","2020-10-21","18:00:00",""
"7236498","7.621","0.0003","25.8409","0.0008","8.7978","0.0003","90","","113.45","0.005","90","","1589.48","0.11","100","2","100","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","[(p-cymene)bis(chlorido)(hypoxanthine-kN9)ruthenium(II)]","","- C15 H18 Cl2 N4 O Ru -","- C15 H18 Cl2 N4 O Ru -","- C60 H72 Cl8 N16 O4 Ru4 -","4","1","","Sce, Fabio; Beobide, Garikoitz; Castillo, Oscar; de Pedro, Imanol; Pérez-Yáñez, Sonia; Reyes, Efraim","Supramolecular architectures based on p-cymene/ruthenium complexes functionalized with nucleobases","CrystEngComm","2017","19","40","6039","","10.1039/C7CE01496A","","","0.71073","MoKα","","0.025","0.0216","","","0.0474","0.0488","","","","","","1.049","","","","has coordinates","235620","2020-10-21","18:00:00",""
"7236499","8.5593","0.0005","10.1279","0.0007","11.1478","0.0008","101.641","0.006","110.181","0.006","99.969","0.005","856.87","0.11","100","2","100","2","","","","","","","","6","P -1","-P 1","2","","[(p-cymene)bis(chlorido)(5-aminouracil-kN5)ruthenium(II)]","","- C14 H19 Cl2 N3 O2 Ru -","- C14 H19 Cl2 N3 O2 Ru -","- C28 H38 Cl4 N6 O4 Ru2 -","2","1","","Sce, Fabio; Beobide, Garikoitz; Castillo, Oscar; de Pedro, Imanol; Pérez-Yáñez, Sonia; Reyes, Efraim","Supramolecular architectures based on p-cymene/ruthenium complexes functionalized with nucleobases","CrystEngComm","2017","19","40","6039","","10.1039/C7CE01496A","","","0.71073","MoKα","","0.0289","0.0268","","","0.067","0.0692","","","","","","1.078","","","","has coordinates","235620","2020-10-21","18:00:00",""
"7236500","6.6956","0.0013","15.2432","0.001","17.81","0.003","67.308","0.011","80.069","0.015","89.881","0.009","1647.7","0.5","100","2","100","2","","","","","","","","7","P -1","-P 1","2","","[(p-cymene)bis(chlorido)(2-thiouracil-kS2)ruthenium(II)]","","- C14 H18 Cl2 N2 O Ru S -","- C14 H18 Cl2 N2 O Ru S -","- C56 H72 Cl8 N8 O4 Ru4 S4 -","4","2","","Sce, Fabio; Beobide, Garikoitz; Castillo, Oscar; de Pedro, Imanol; Pérez-Yáñez, Sonia; Reyes, Efraim","Supramolecular architectures based on p-cymene/ruthenium complexes functionalized with nucleobases","CrystEngComm","2017","19","40","6039","","10.1039/C7CE01496A","","","0.71073","MoKα","","0.0746","0.0488","","","0.1178","0.1267","","","","","","0.944","","","","has coordinates","235620","2020-10-21","18:00:00",""
"7236501","14.4901","0.0003","14.4901","0.0003","17.3192","0.0007","90","","90","","90","","3636.39","0.18","100","2","100","2","","","","","","","","7","P 42/n :2","-P 4bc","86","","[tetrakis(p-cymene)tetrakis(mu-cytosinato-kN1:kO2,kN3)tetraruthenium(II)] triflate","","- C60 H72 F12 N12 O16 Ru4 S4 -","- C60 H72 F12 N12 O16 Ru4 S4 -","- C120 H144 F24 N24 O32 Ru8 S8 -","2","0.25","","Sce, Fabio; Beobide, Garikoitz; Castillo, Oscar; de Pedro, Imanol; Pérez-Yáñez, Sonia; Reyes, Efraim","Supramolecular architectures based on p-cymene/ruthenium complexes functionalized with nucleobases","CrystEngComm","2017","19","40","6039","","10.1039/C7CE01496A","","","0.71073","MoKα","","0.0685","0.0579","","","0.1379","0.146","","","","","","1.041","","","","has coordinates,has disorder","235620","2020-10-21","18:00:00",""
"7236502","19.52","0.004","13.946","0.003","13.312","0.003","90","","90","","90","","3623.9","1.4","153","2","153.15","","","","","","","","","5","P b c n","-P 2n 2ab","60","","","","- C20 H16 F3 N3 O3 -","- C20 H16 F3 N3 O3 -","- C160 H128 F24 N24 O24 -","8","1","","Zhu, Xin; He, Zhi; Li, Qiu-Yan; Wang, Xiao-Jun","Direct C(sp2)‒H amination of aryl aldehyde-derived hydrazones via visible light promoted photoredox catalysis","RSC Advances","2017","7","40","25171","","10.1039/C7RA01229B","","","0.71073","MoKα","","0.0719","0.0669","","","0.1318","0.1341","","","","","","1.251","","","","has coordinates","236233","2020-10-21","18:00:00",""
"7236503","11.6555","0.0005","12.1165","0.0005","12.1203","0.0005","113.972","0.001","102.453","0.001","92.957","0.001","1508.54","0.11","293","2","293","2","","","","","","","","4","P -1","-P 1","2","","(Velutinindimer C)(chloroform)","","- C31 H29 Cl3 O8 -","- C31 H29 Cl3 O8 -","- C62 H58 Cl6 O16 -","2","1","","Wongsa, N.; Kanokmedhakul, K.; Boonmak, J.; Youngme, S.; Kanokmedhakul, S.","Bicyclic lactones and racemic mixtures of dimeric styrylpyrones from the leaves of Miliusa velutina","RSC Advances","2017","7","41","25285","","10.1039/C7RA01609C","","","0.71073","MoKα","","0.0824","0.0642","","","0.2102","0.2211","","","","","","2","","","","has coordinates","236235","2020-10-21","18:00:00",""
"7236504","23.725","0.004","5.5211","0.001","39.408","0.007","90","","90","","90","","5162","1.6","293","2","293","2","","","","","","","","3","P n a 21","P 2c -2n","33","","Velutinindimer B","","- C30 H28 O8 -","- C30 H28 O8 -","- C240 H224 O64 -","8","2","","Wongsa, N.; Kanokmedhakul, K.; Boonmak, J.; Youngme, S.; Kanokmedhakul, S.","Bicyclic lactones and racemic mixtures of dimeric styrylpyrones from the leaves of Miliusa velutina","RSC Advances","2017","7","41","25285","","10.1039/C7RA01609C","","","0.71073","MoKα","","0.1017","0.0508","","","0.1043","0.1225","","","","","","1.021","","","","has coordinates","236235","2020-10-21","18:00:00",""
"7236505","18.413","0.004","16.514","0.003","14.665","0.003","90","","107.49","0.03","90","","4253.1","1.6","100","2","100","2","","","","","","","","5","P 1 c 1","P -2yc","7","","","","- C90 H72 N18 O7 Zn2 -","- C90 H70 N18 O7 Zn2 -","- C180 H140 N36 O14 Zn4 -","2","1","","Lohar, Somenath; Pal, Siddhartha; Mukherjee, Manjira; Maji, Abhishek; Demitri, Nicola; Chattopadhyay, Pabitra","A turn-on green channel Zn2+ sensor and the resulting zinc(ii) complex as a red channel HPO42− ion sensor: a new approach","RSC Advances","2017","7","41","25528","","10.1039/C7RA02175E","","","0.7","synchrotron","","0.1308","0.1063","","","0.263","0.2804","","","","","","1.122","","","","has coordinates","287929","2023-12-01","12:10:10",""
"7236506","28.3358","0.0012","20.1143","0.0007","20.9817","0.0007","90","","118.325","0.004","90","","10526.8","0.8","293","2","293","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C42 H51 Eu2 N11 O18 -","- C42 H51 Eu2 N11 O18 -","- C336 H408 Eu16 N88 O144 -","8","1","","Zhou, Jing-Jing; Song, Xue-Qin; liu, Yuan-Ang; Wang, Xiao-Long","Substituent-tuned structure and luminescence sensitizing towards Al3+ based on phenoxy bridged dinuclear EuIII complexes","RSC Advances","2017","7","41","25549","","10.1039/C7RA02386C","","","0.71073","MoKα","","0.078","0.0514","","","0.1221","0.1388","","","","","","1.053","","","","has coordinates,has disorder","236240","2020-10-21","18:00:00",""
"7236507","17.4511","0.0007","17.4511","0.0007","40.5949","0.0016","90","","90","","120","","10706.5","0.7","293","2","293","2","","","","","","","","5","R -3 :H","-R 3","148","","","","- C48 H42 Eu2 N12 O24 -","- C48 H42 Eu2 N12 O24 -","- C288 H252 Eu12 N72 O144 -","6","0.333333","","Zhou, Jing-Jing; Song, Xue-Qin; liu, Yuan-Ang; Wang, Xiao-Long","Substituent-tuned structure and luminescence sensitizing towards Al3+ based on phenoxy bridged dinuclear EuIII complexes","RSC Advances","2017","7","41","25549","","10.1039/C7RA02386C","","","0.71","MoKα","","0.0772","0.0539","","","0.1675","0.182","","","","","","1.036","","","","has coordinates,has disorder","236240","2020-10-21","18:00:00",""
"7236508","12.916","0.004","6.8394","0.0018","14.546","0.005","90","","112.385","0.008","90","","1188.1","0.6","173","","173","","","","","","","","","7","P 1 21/m 1","-P 2yb","11","","","","- C22 H26 F5 N O2 Pt S -","- C22 H26 F5 N O2 Pt S -","- C44 H52 F10 N2 O4 Pt2 S2 -","2","0.5","","Henwood, Adam F.; Webster, James; Cordes, David; Slawin, Alexandra M. Z.; Jacquemin, Denis; Zysman-Colman, Eli","Phosphorescent platinum(ii) complexes bearing pentafluorosulfanyl substituted cyclometalating ligands","RSC Advances","2017","7","41","25566","","10.1039/C7RA03190D","","","0.71075","MoKα","","0.0968","0.0746","","","0.1799","0.1994","","","","","","1.165","","","","has coordinates","236242","2020-10-21","18:00:00",""
"7236509","12.2353","0.001","13.7645","0.0013","28.3482","0.0018","90","","90","","90","","4774.2","0.7","173","","173","","","","","","","","","7","P b c a","-P 2ac 2ab","61","","","","- C22 H26 F5 N O2 Pt S -","- C22 H26 F5 N O2 Pt S -","- C176 H208 F40 N8 O16 Pt8 S8 -","8","1","","Henwood, Adam F.; Webster, James; Cordes, David; Slawin, Alexandra M. Z.; Jacquemin, Denis; Zysman-Colman, Eli","Phosphorescent platinum(ii) complexes bearing pentafluorosulfanyl substituted cyclometalating ligands","RSC Advances","2017","7","41","25566","","10.1039/C7RA03190D","","","0.71075","MoKα","","0.0253","0.0167","","","0.0304","0.0328","","","","","","1.072","","","","has coordinates","236242","2020-10-21","18:00:00",""
"7236510","14.394","","11.986","","7.044","","93.01","","100.75","","73.93","","1147.29","","293","","293","","","","","","","","","4","P -1","-P 1","2","","","","- C30 H18 Cu O10 -","- C30 H18 Cu O10 -","- C60 H36 Cu2 O20 -","2","1","","Mandal, Bitapi; Singha, Soumen; Dey, Sanjoy Kumar; Mazumdar, Swagata; Kumar, Sanjay; Karmakar, Parimal; Das, Saurabh","CuII complex of emodin with improved anticancer activity as demonstrated by its performance on HeLa and Hep G2 cells","RSC Advances","2017","7","66","41403","","10.1039/C7RA06696A","powder diffraction","x-ray","1.5406","CuKα~1~","","","","","","","","0.54036","","2.2","","","","","","","has coordinates","236244","2020-10-21","18:00:00",""
"7236511","22.602","0.001","13.646","0.001","17.163","0.001","90","","125.812","0.001","90","","4292.7","0.4","293","2","293","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C84 H80 N24 Ni4 O26 S2 -","- C84 H80 N24 Ni4 O26 S2 -","- C168 H160 N48 Ni8 O52 S4 -","2","0.25","","Deng, Ye; Yao, Zhao-Yu; Wang, Peng; Zhao, Yue; Kang, Yan-Shang; Azam, Mohammad; Al-Resayes, Saud I.; Sun, Wei-Yin","Sorption and sensing properties of coordination polymers with mixed 1,3,5-tri(1-imidazolyl)benzene and 2,6-naphthalenedicarboxylate ligands","RSC Advances","2017","7","71","44639","","10.1039/C7RA08165K","","","0.71073","MoKα","","0.0426","0.0379","","","0.1008","0.1044","","","","","","1.086","","","","has coordinates,has disorder","236246","2020-10-21","18:00:00",""
"7236512","23.6468","0.0018","13.261","0.001","17.991","0.002","90","","126.758","0.001","90","","4519.9","0.7","293","2","293","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C42 H42 Cd2 N12 O14 S -","- C42 H42 Cd2 N12 O14 S -","- C168 H168 Cd8 N48 O56 S4 -","4","0.5","","Deng, Ye; Yao, Zhao-Yu; Wang, Peng; Zhao, Yue; Kang, Yan-Shang; Azam, Mohammad; Al-Resayes, Saud I.; Sun, Wei-Yin","Sorption and sensing properties of coordination polymers with mixed 1,3,5-tri(1-imidazolyl)benzene and 2,6-naphthalenedicarboxylate ligands","RSC Advances","2017","7","71","44639","","10.1039/C7RA08165K","","","0.71073","MoKα","","0.025","0.0212","","","0.0483","0.0502","","","","","","1.073","","","","has coordinates,has disorder","236246","2020-10-21","18:00:00",""
"7236513","22.802","0.002","13.5397","0.0012","17.2991","0.0015","90","","125.99","0.001","90","","4321.3","0.7","293","2","293","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C84 H84 Co4 N24 O28 S2 -","- C84 H84 Co4 N24 O28 S2 -","- C168 H168 Co8 N48 O56 S4 -","2","0.25","","Deng, Ye; Yao, Zhao-Yu; Wang, Peng; Zhao, Yue; Kang, Yan-Shang; Azam, Mohammad; Al-Resayes, Saud I.; Sun, Wei-Yin","Sorption and sensing properties of coordination polymers with mixed 1,3,5-tri(1-imidazolyl)benzene and 2,6-naphthalenedicarboxylate ligands","RSC Advances","2017","7","71","44639","","10.1039/C7RA08165K","","","0.71073","MoKα","","0.0587","0.0458","","","0.1239","0.1353","","","","","","0.991","","","","has coordinates,has disorder","236246","2020-10-21","18:00:00",""
"7236514","13.572","0.005","14.157","0.005","19.505","0.008","93.398","0.011","110.063","0.009","90.003","0.01","3513","2","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C49.5 H49.5 Cd2 N16.5 O13.5 -","- C42 H30 Cd2 N14 O10 -","- C84 H60 Cd4 N28 O20 -","2","1","","Deng, Ye; Yao, Zhao-Yu; Wang, Peng; Zhao, Yue; Kang, Yan-Shang; Azam, Mohammad; Al-Resayes, Saud I.; Sun, Wei-Yin","Sorption and sensing properties of coordination polymers with mixed 1,3,5-tri(1-imidazolyl)benzene and 2,6-naphthalenedicarboxylate ligands","RSC Advances","2017","7","71","44639","","10.1039/C7RA08165K","","","0.71073","MoKα","","0.1494","0.1021","","","0.2452","0.2695","","","","","","1.031","","","","has coordinates","236246","2020-10-21","18:00:00",""
"7236515","19.1253","0.0009","19.1253","0.0009","8.5716","0.0008","90","","90","","120","","2715.2","0.3","293","2","293","2","","","","","","","","5","P -3","-P 3","147","","","","- C22 H14 N4 O4 Zn -","- C22 H14 N4 O4 Zn -","- C132 H84 N24 O24 Zn6 -","6","1","","Deng, Ye; Yao, Zhao-Yu; Wang, Peng; Zhao, Yue; Kang, Yan-Shang; Azam, Mohammad; Al-Resayes, Saud I.; Sun, Wei-Yin","Sorption and sensing properties of coordination polymers with mixed 1,3,5-tri(1-imidazolyl)benzene and 2,6-naphthalenedicarboxylate ligands","RSC Advances","2017","7","71","44639","","10.1039/C7RA08165K","","","0.71073","MoKα","","0.0476","0.0357","","","0.0891","0.0941","","","","","","1.03","","","","has coordinates,has disorder","236246","2020-10-21","18:00:00",""
"7236524","11.962","0.002","14.897","0.003","22.54","0.005","104.12","0.03","91.11","0.03","106.09","0.03","3726.3","1.5","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C12 H44 O62 P12 Zn10 -","- C12 H44 O62 P12 Zn10 -","- C24 H88 O124 P24 Zn20 -","2","1","","Cai, Kun; Sun, Fuxing; Liang, Xiaoqiang; Liu, Cong; Zhao, Nian; Zou, Xiaoqin; Zhu, Guangshan","An acid-stable hexaphosphate ester based metal‒organic framework and its polymer composite as proton exchange membrane","Journal of Materials Chemistry A","2017","5","25","12943","","10.1039/C7TA00169J","","","0.71073","MoKα","","0.1388","0.0786","","","0.167","0.1869","","","","","","1.002","","","","has coordinates,has disorder","236272","2020-10-21","18:00:00",""
"7236525","29.1076","0.0013","29.1076","0.0013","23.5668","0.0019","90","","90","","90","","19967","2","293","2","293","2","","","","","","","","6","I 41/a :2","-I 4ad","88","","","","- C24 H36 Cu5 In30 N4 S56 -","- C24 Cu4.9996 In30.0004 N4 S56 -","- C96 Cu19.9984 In120.002 N16 S224 -","4","0.25","","Li, Zhao-Qi; Mo, Chong-Jiao; Guo, Yao; Xu, Nan-Nan; Zhu, Qin-Yu; Dai, Jie","Discrete supertetrahedral CuInS nanoclusters and their application in fabrication of cluster-sensitized TiO2 photoelectrodes","Journal of Materials Chemistry A","2017","5","18","8519","","10.1039/C7TA00247E","","","0.71073","MoKα","","0.1647","0.0739","","","0.1276","0.1582","","","","","","1.166","","","","has coordinates","236274","2020-10-21","18:00:00",""
"7236526","17.4164","0.0006","14.2453","0.0004","20.4424","0.0007","90","","114.512","0.004","90","","4614.7","0.3","122.35","0.1","122.35","0.1","","","","","","","","5","I 1 2/a 1","-I 2ya","15","","","","- C36 H29 Eu2 N11 O16 -","- C36 H29 Eu2 N11 O16 -","- C144 H116 Eu8 N44 O64 -","4","0.5","","Wang, Lu; Fan, Guilan; Xu, Xiufang; Chen, Diming; Wang, Liang; Shi, Wei; Cheng, Peng","Detection of polychlorinated benzenes (persistent organic pollutants) by a luminescent sensor based on a lanthanide metal‒organic framework","Journal of Materials Chemistry A","2017","5","11","5541","","10.1039/C7TA00256D","","","0.71073","MoKα","","0.0505","0.0412","","","0.1313","0.1417","","","","","","1.003","","","","has coordinates","236275","2020-10-21","18:00:00",""
"7236527","8","0.0015","10.601","0.002","16.4","0.004","93.857","0.007","102.755","0.007","101.878","0.006","1318.2","0.5","200","2","200","2","","","","","","","","5","P -1","-P 1","2","","","","- C17 H40 N4 O13 V -","- C17 H40 N4 O13 V -","- C34 H80 N8 O26 V2 -","2","1","","Huang, Haobo; Howland, Rachael; Agar, Ertan; Nourani, Mahnaz; Golen, James A.; Cappillino, Patrick J.","Bioinspired, high-stability, nonaqueous redox flow battery electrolytes","Journal of Materials Chemistry A","2017","5","23","11586","","10.1039/C7TA00365J","","","0.71073","MoKα","","0.0583","0.0418","","","0.1058","0.1156","","","","","","1.02","","","","has coordinates,has disorder","236277","2020-10-21","18:00:00",""
"7236528","18.682","0.029","18.682","0.029","18.204","0.028","90","","90","","90","","6354","17","","","300","","","","100","","","","","4","I 4/m m m","-I 4 2","139","","MIL-125-NHCyp","","- C2.955 N0.315 O2.149 Ti0.25 -","- C2.955 N0.315 O2.15 Ti0.25 -","- C94.56 N10.08 O68.8 Ti8 -","32","1","","Logan, Matthew W.; Ayad, Suliman; Adamson, Jeremy D.; Dilbeck, Tristan; Hanson, Kenneth; Uribe-Romo, Fernando J.","Systematic variation of the optical bandgap in titanium based isoreticular metal‒organic frameworks for photocatalytic reduction of CO2 under blue light","Journal of Materials Chemistry A","2017","5","23","11854","","10.1039/C7TA00437K","powder diffraction","x-ray","1.5405","Kα~1,2~","","","","","","0.13306","","0.30104","","7.727","","","","","","","has coordinates","236279","2020-10-21","18:00:00",""
"7236529","18.626","0.02","18.626","0.02","18.088","0.018","90","","90","","90","","6275","11","","","300","","","","100","","","","","4","I 4/m m m","-I 4 2","139","","MIL-125-NHEt","","- C1.785 N0.315 O2.148 Ti0.25 -","- C1.785 N0.315 O2.4 Ti0.25 -","- C57.12 N10.08 O76.8 Ti8 -","32","1","","Logan, Matthew W.; Ayad, Suliman; Adamson, Jeremy D.; Dilbeck, Tristan; Hanson, Kenneth; Uribe-Romo, Fernando J.","Systematic variation of the optical bandgap in titanium based isoreticular metal‒organic frameworks for photocatalytic reduction of CO2 under blue light","Journal of Materials Chemistry A","2017","5","23","11854","","10.1039/C7TA00437K","powder diffraction","x-ray","1.5405","Kα~1,2~","","","","","","0.08551","","0.19468","","6.346","","","","","","","has coordinates","236279","2020-10-21","18:00:00",""
"7236530","18.675","0.023","18.675","0.023","18.147","0.022","90","","90","","90","","6329","13","","","300","","","","100","","","","","4","I 4/m m m","-I 4 2","139","","MIL-125-NHCy","","- C3.345 N0.315 O2.019 Ti0.25 -","- C3.345 N0.315 O2.02375 Ti0.25 -","- C107.04 N10.08 O64.76 Ti8 -","32","1","","Logan, Matthew W.; Ayad, Suliman; Adamson, Jeremy D.; Dilbeck, Tristan; Hanson, Kenneth; Uribe-Romo, Fernando J.","Systematic variation of the optical bandgap in titanium based isoreticular metal‒organic frameworks for photocatalytic reduction of CO2 under blue light","Journal of Materials Chemistry A","2017","5","23","11854","","10.1039/C7TA00437K","powder diffraction","x-ray","1.5405","Kα~1,2~","","","","","","0.05597","","0.1275","","3.563","","","","","","","has coordinates","236279","2020-10-21","18:00:00",""
"7236531","18.854","0.027","18.854","0.027","18.292","0.023","90","","90","","90","","6502","16","","","300","","","","100","","","","","4","I 4/m m m","-I 4 2","139","","MIL-125-NHhep","","- C3.735 N0.315 O2.361 Ti0.25 -","- C3.67 N0.315 O2.36 Ti0.25 -","- C117.44 N10.08 O75.52 Ti8 -","32","1","","Logan, Matthew W.; Ayad, Suliman; Adamson, Jeremy D.; Dilbeck, Tristan; Hanson, Kenneth; Uribe-Romo, Fernando J.","Systematic variation of the optical bandgap in titanium based isoreticular metal‒organic frameworks for photocatalytic reduction of CO2 under blue light","Journal of Materials Chemistry A","2017","5","23","11854","","10.1039/C7TA00437K","powder diffraction","x-ray","1.5405","Kα~1,2~","","","","","","0.09196","","0.15916","","5.623","","","","","","","has coordinates","236279","2020-10-21","18:00:00",""
"7236532","18.635","0.016","18.635","0.016","18.131","0.014","90","","90","","90","","6296","9","","","300","","","","100","","","","","4","I 4/m m m","-I 4 2","139","","MIL-125-NHMe","","- C1.395 N0.315 O2.415 Ti0.25 -","- C1.395 N0.315 O2.4135 Ti0.25 -","- C44.64 N10.08 O77.232 Ti8 -","32","1","","Logan, Matthew W.; Ayad, Suliman; Adamson, Jeremy D.; Dilbeck, Tristan; Hanson, Kenneth; Uribe-Romo, Fernando J.","Systematic variation of the optical bandgap in titanium based isoreticular metal‒organic frameworks for photocatalytic reduction of CO2 under blue light","Journal of Materials Chemistry A","2017","5","23","11854","","10.1039/C7TA00437K","powder diffraction","x-ray","1.5405","Kα~1,2~","","","","","","0.08686","","0.15433","","6.262","","","","","","","has coordinates","236279","2020-10-21","18:00:00",""
"7236533","18.7","0.04","18.7","0.04","18.21","0.04","90","","90","","90","","6368","2","","","300","","","","100","","","","","4","I 4/m m m","-I 4 2","139","","MIL-125-NHBu","","- C2.995 N0.315 O2.833 Ti0.25 -","- C2.995 N0.315 O3.16375 Ti0.25 -","- C95.84 N10.08 O101.24 Ti8 -","32","1","","Logan, Matthew W.; Ayad, Suliman; Adamson, Jeremy D.; Dilbeck, Tristan; Hanson, Kenneth; Uribe-Romo, Fernando J.","Systematic variation of the optical bandgap in titanium based isoreticular metal‒organic frameworks for photocatalytic reduction of CO2 under blue light","Journal of Materials Chemistry A","2017","5","23","11854","","10.1039/C7TA00437K","powder diffraction","x-ray","1.5405","Kα~1,2~","","","","","","0.20323","","0.32111","","13.399","","","","","","","has coordinates","236279","2020-10-21","18:00:00",""
"7236534","12.337","0.002","11.4124","0.0019","11.8204","0.0019","90","","100.961","0.006","90","","1633.9","0.5","150","2","150","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C7 H8 N16 O10 -","- C7 H8 N16 O10 -","- C28 H32 N64 O40 -","4","1","","Dharavath, Srinivas; Zhang, Jiaheng; Imler, Gregory H.; Parrish, Damon A.; Shreeve, Jean'ne M.","5-(Dinitromethyl)-3-(trinitromethyl)-1,2,4-triazole and its derivatives: a new application of oxidative nitration towards gem-trinitro-based energetic materials","Journal of Materials Chemistry A","2017","5","10","4785","","10.1039/C7TA00730B","","","0.71073","MoKα","","0.0556","0.0364","","","0.0921","0.0984","","","","","","0.983","","","","has coordinates","236281","2020-10-21","18:00:00",""
"7236535","17.4999","0.0015","22.61","0.003","19.1969","0.0016","90","","105.599","0.01","90","","7315.9","1.4","293","2","293","2","","","","","","","Synthesized","5","C 1 2/c 1","-C 2yc","15","","","","- C55 H90 N12 O38 Zn3 -","- C55 H90 N12 O38 Zn3 -","- C220 H360 N48 O152 Zn12 -","4","0.5","","Pandey, Vinay Kumar; Dixit, Manish Kumar; Manneville, Sébastien; Bucher, Christophe; Dubey, Mrigendra","A multi-stimuli responsive conductive sonometallogel: a mechanistic insight into the role of ultrasound in gelation","Journal of Materials Chemistry A","2017","5","13","6211","","10.1039/C7TA00854F","","","0.71073","MoKα","","0.1338","0.1025","","","0.2907","0.3597","","","","","","1.209","","","","has coordinates,has disorder","236283","2020-10-21","18:00:00",""
"7236536","19.658","0.006","9.753","0.003","8.341","0.003","90","","98.571","0.004","90","","1581.3","0.9","150","","150","","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C8 H2 F12 Fe O8 -","- C8 H2 F12 Fe O8 -","- C32 H8 F48 Fe4 O32 -","4","0.5","","Guntlin, Christoph P.; Zünd, Tanja; Kravchyk, Kostiantyn V.; Wörle, Michael; Bodnarchuk, Maryna I.; Kovalenko, Maksym V.","Nanocrystalline FeF3 and MF2 (M = Fe, Co, and Mn) from metal trifluoroacetates and their Li(Na)-ion storage properties","Journal of Materials Chemistry A","2017","5","16","7383","","10.1039/C7TA00862G","","x-ray","0.71073","MoKα","","0.058","0.0508","","","0.1333","0.1408","","","","","","1.08","","","","has coordinates,has disorder","236285","2020-10-21","18:00:00",""
"7236537","8.136","0.0004","9.0331","0.0007","9.2695","0.0005","75.139","0.006","64.574","0.006","71.426","0.006","577.48","0.07","103","5","103","5","","","","","","","","5","P -1","-P 1","2","","","","- C4 H8 Co F6 O8 -","- C4 H8 Co F6 O8 -","- C8 H16 Co2 F12 O16 -","2","1","","Guntlin, Christoph P.; Zünd, Tanja; Kravchyk, Kostiantyn V.; Wörle, Michael; Bodnarchuk, Maryna I.; Kovalenko, Maksym V.","Nanocrystalline FeF3 and MF2 (M = Fe, Co, and Mn) from metal trifluoroacetates and their Li(Na)-ion storage properties","Journal of Materials Chemistry A","2017","5","16","7383","","10.1039/C7TA00862G","","x-ray","0.71073","MoKα","","0.0413","0.0308","","","0.0694","0.0712","","","","","","0.985","","","","has coordinates","236285","2020-10-21","18:00:00",""
"7236538","10.3229","0.0017","13.518","0.002","13.94","0.002","105.172","0.002","111.289","0.002","107.081","0.002","1577.4","0.4","100","2","100","","","","","","","","","5","P -1","-P 1","2","","","","- C16 H4 F24 Mn2 O16 -","- C16 H4 F24 Mn2 O16 -","- C32 H8 F48 Mn4 O32 -","2","1","","Guntlin, Christoph P.; Zünd, Tanja; Kravchyk, Kostiantyn V.; Wörle, Michael; Bodnarchuk, Maryna I.; Kovalenko, Maksym V.","Nanocrystalline FeF3 and MF2 (M = Fe, Co, and Mn) from metal trifluoroacetates and their Li(Na)-ion storage properties","Journal of Materials Chemistry A","2017","5","16","7383","","10.1039/C7TA00862G","","x-ray","0.71073","MoKα","","0.0708","0.0473","","","0.1126","0.1262","","","","","","1.028","","","","has coordinates,has disorder","236285","2020-10-21","18:00:00",""
"7236539","9.7505","0.0011","21.236","0.002","16.0879","0.0018","90","","91.358","0.002","90","","3330.3","0.6","100","2","100","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C16 H F24 Fe3 O17 -","- C16 F24 Fe3 O17 -","- C64 F96 Fe12 O68 -","4","1","","Guntlin, Christoph P.; Zünd, Tanja; Kravchyk, Kostiantyn V.; Wörle, Michael; Bodnarchuk, Maryna I.; Kovalenko, Maksym V.","Nanocrystalline FeF3 and MF2 (M = Fe, Co, and Mn) from metal trifluoroacetates and their Li(Na)-ion storage properties","Journal of Materials Chemistry A","2017","5","16","7383","","10.1039/C7TA00862G","","x-ray","0.71073","MoKα","","0.0884","0.071","","","0.1542","0.1632","","","","","","1.154","","","","has coordinates,has disorder","236285","2020-10-21","18:00:00",""
"7236540","18.409","0.006","11.458","0.004","33.879","0.01","90","","100.97","0.004","90","","7016","4","296","2","296.15","","","","","","","","","7","P 1 2/n 1","-P 2yac","13","","","","- C126 H88 Mo12 N42 O42 P Zn4 -","- C126 H88 Mo12 N42 O42 P Zn4 -","- C252 H176 Mo24 N84 O84 P2 Zn8 -","2","0.5","","Huang, Qing; Wei, Tao; Zhang, Mi; Dong, Long-Zhang; Zhang, A-Man; Li, Shun-Li; Liu, Wen-Jing; Liu, Jiang; Lan, Ya-Qian","A highly stable polyoxometalate-based metal‒organic framework with π‒π stacking for enhancing lithium ion battery performance","Journal of Materials Chemistry A","2017","5","18","8477","","10.1039/C7TA00900C","","x-ray","0.71073","MoKα","","0.1087","0.0637","","","0.1619","0.1751","","","","","","1.036","","","","has coordinates","236288","2020-10-21","18:00:00",""
"7236541","54.438","0.002","14.5003","0.0006","39.5817","0.0017","90","","128.01","0.001","90","","24617.6","1.8","296","2","296.15","","","","","","","","","7","C 1 2/c 1","-C 2yc","15","","","","- C32 H18 Mo12 N6 O48 P Zn4 -","- C32 H18 Mo12 N6 O48 P Zn4 -","- C256 H144 Mo96 N48 O384 P8 Zn32 -","8","1","","Huang, Qing; Wei, Tao; Zhang, Mi; Dong, Long-Zhang; Zhang, A-Man; Li, Shun-Li; Liu, Wen-Jing; Liu, Jiang; Lan, Ya-Qian","A highly stable polyoxometalate-based metal‒organic framework with π‒π stacking for enhancing lithium ion battery performance","Journal of Materials Chemistry A","2017","5","18","8477","","10.1039/C7TA00900C","","x-ray","0.71073","MoKα","","0.1406","0.1331","","","0.2917","0.297","","","","","","1.137","","","","has coordinates","236288","2020-10-21","18:00:00",""
"7236542","24.7816","0.0004","47.538","0.0008","15.4054","0.0003","90","","90","","90","","18148.6","0.6","150","2","150","2","","","","","","","","7","F d d 2","F 2 -2d","43","","Ferrocene-Co-corrole","","- C60 H42 Co Fe N4 O P -","- C60 H42 Co Fe N4 O P -","- C960 H672 Co16 Fe16 N64 O16 P16 -","16","1","","Samireddi, Satyanarayana; Shown, Indrajit; Shen, Tzu-Hsien; Huang, Hsin-Chih; Wong, Ken-Tsung; Chen, Li-Chyong; Chen, Kuei-Hsien","Hybrid bimetallic-N4 electrocatalyst derived from a pyrolyzed ferrocene‒Co-corrole complex for oxygen reduction reaction","Journal of Materials Chemistry A","2017","5","19","9279","","10.1039/C7TA00949F","","","1.54178","CuKα","","0.0634","0.0551","","","0.1407","0.1483","","","","","","1.024","","","","has coordinates,has disorder","236290","2020-10-21","18:00:00",""
"7236543","26.787","0.004","15.382","0.002","20.723","0.003","90","","118.439","0.003","90","","7508.3","1.9","150","2","150","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C42 H33 N3 O6 -","- C42 H33 N3 O6 -","- C336 H264 N24 O48 -","8","1","","Samanta, Partha; Desai, Aamod V.; Anothumakkool, Bihag; Shirolkar, Mandar M.; Karmakar, Avishek; Kurungot, Sreekumar; Ghosh, Sujit K.","Enhanced proton conduction by post-synthetic covalent modification in a porous covalent framework","Journal of Materials Chemistry A","2017","5","26","13659","","10.1039/C7TA00964J","","","0.71073","MoKα","","0.1509","0.125","","","0.3296","0.3445","","","","","","0.958","","","","has coordinates","236292","2020-10-21","18:00:00",""
"7236544","14.7811","0.0005","38.2896","0.0013","16.6609","0.0006","90","","94.001","0.002","90","","9406.5","0.6","296","2","296","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","Zn-PDA2","","- C72 H60 N6 O20 Zn4 -","- C72 H60 N6 O20 Zn4 -","- C288 H240 N24 O80 Zn16 -","4","1","","Wu, Pengyan; Jiang, Min; Li, Yang; Liu, Yanhong; Wang, Jian","Highly efficient photocatalytic hydrogen production from pure water via a photoactive metal‒organic framework and its PDMS@MOF","Journal of Materials Chemistry A","2017","5","17","7833","","10.1039/C7TA01070B","","","0.71073","MoKα","","0.0967","0.0733","","","0.2149","0.2288","","","","","","0.963","","","","has coordinates,has disorder","236294","2020-10-21","18:00:00",""
"7236545","12.6446","0.0006","14.4368","0.0007","7.7331","0.0004","90","","96.954","0.002","90","","1401.27","0.12","150","2","150","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C3 H5 N7 O3 -","- C3 H5 N7 O3 -","- C24 H40 N56 O24 -","8","2","","Tang, Yongxing; He, Chunlin; Imler, Gregory H.; Parrish, Damon A.; Shreeve, Jean'ne M.","High-performing and thermally stable energetic 3,7-diamino-7H-[1,2,4]triazolo[4,3-b][1,2,4]triazole derivatives","Journal of Materials Chemistry A","2017","5","13","6100","","10.1039/C7TA01111C","","","0.71073","MoKα","","0.0545","0.0367","","","0.0928","0.1011","","","","","","1.062","","","","has coordinates,has disorder","236296","2020-10-21","18:00:00",""
"7236546","12.9443","0.0006","22.3674","0.001","6.8059","0.0003","90","","103.6","0.002","90","","1915.26","0.15","150","2","150","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C8 H16 N20 O7 -","- C8 H16 N20 O7 -","- C32 H64 N80 O28 -","4","1","","Tang, Yongxing; He, Chunlin; Imler, Gregory H.; Parrish, Damon A.; Shreeve, Jean'ne M.","High-performing and thermally stable energetic 3,7-diamino-7H-[1,2,4]triazolo[4,3-b][1,2,4]triazole derivatives","Journal of Materials Chemistry A","2017","5","13","6100","","10.1039/C7TA01111C","","","0.71073","MoKα","","0.0699","0.0387","","","0.085","0.0963","","","","","","1.02","","","","has coordinates","236296","2020-10-21","18:00:00",""
"7236547","17.783","0.003","17.783","0.003","12.889","0.002","90","","90","","120","","3529.9","1","90","2","90","2","","","","","","","","6","P 63","P 6c","173","","","","- C36 H78 Ca Cu6 N6 O34 -","- C36 H48 Ca Cu6 N6 O34 -","- C72 H96 Ca2 Cu12 N12 O68 -","2","0.333333","","Grancha, Thais; Mon, Marta; Ferrando-Soria, Jesús; Gascon, Jorge; Seoane, Beatriz; Ramos-Fernandez, Enrique V.; Armentano, Donatella; Pardo, Emilio","Tuning the selectivity of light hydrocarbons in natural gas in a family of isoreticular MOFs","Journal of Materials Chemistry A","2017","5","22","11032","","10.1039/C7TA01179B","","","0.71073","MoKα","","0.2383","0.096","","","0.229","0.3194","","","","","","1.008","","","","has coordinates","236298","2020-10-21","18:00:00",""
"7236548","17.603","0.006","17.603","0.006","13.045","0.004","90","","90","","120","","3501","2","90","2","90","2","","","","","","","","6","P 63","P 6c","173","","","","- C42 H86 Ca Cu6 N6 O32 -","- C40 H53.9997 Ca Cu6 N6 O28 -","- C80 H107.999 Ca2 Cu12 N12 O56 -","2","0.333333","","Grancha, Thais; Mon, Marta; Ferrando-Soria, Jesús; Gascon, Jorge; Seoane, Beatriz; Ramos-Fernandez, Enrique V.; Armentano, Donatella; Pardo, Emilio","Tuning the selectivity of light hydrocarbons in natural gas in a family of isoreticular MOFs","Journal of Materials Chemistry A","2017","5","22","11032","","10.1039/C7TA01179B","","","0.71073","MoKα","","0.1175","0.071","","","0.181","0.2043","","","","","","0.959","","","","has coordinates","236298","2020-10-21","18:00:00",""
"7236549","10.8777","0.001","11.758","0.0012","15.752","0.0013","80.409","0.007","86.674","0.007","68.799","0.009","1852.1","0.3","100","0.16","100","0.16","","","","","","","","4","P -1","-P 1","2","","","","- C28 H35 N17 O2 -","- C28 H35 N17 O2 -","- C56 H70 N34 O4 -","2","1","","Wang, Hailong; Wu, Hui; Kan, Jinglan; Chang, Ganggang; Yao, Zizhu; Li, Bin; Zhou, Wei; Xiang, Shengchang; Cong-Gui Zhao, John; Chen, Banglin","A microporous hydrogen-bonded organic framework with amine sites for selective recognition of small molecules","Journal of Materials Chemistry A","2017","5","18","8292","","10.1039/C7TA01364G","","","1.54184","CuKα","","0.1386","0.1037","","","0.2951","0.3184","","","","","","1.332","","","","has coordinates","236300","2020-10-21","18:00:00",""
"7236550","11.3535","0.0009","11.3535","","11.701","0.0012","90","","90","","120","","1306.21","0.17","298","","298","","","","","","","","","3","P -6 2 c","P -6c -2c","190","","","","- C18 H21 N15 -","- C18 H21 N15 -","- C36 H42 N30 -","2","0.166667","","Wang, Hailong; Wu, Hui; Kan, Jinglan; Chang, Ganggang; Yao, Zizhu; Li, Bin; Zhou, Wei; Xiang, Shengchang; Cong-Gui Zhao, John; Chen, Banglin","A microporous hydrogen-bonded organic framework with amine sites for selective recognition of small molecules","Journal of Materials Chemistry A","2017","5","18","8292","","10.1039/C7TA01364G","powder diffraction","x-ray","1.5418","CuKα","","","","","","","","0.08038","","1.44","","","","","","","has coordinates","236300","2020-10-21","18:00:00",""
"7236551","10.7844","0.0013","11.6088","0.001","15.9757","0.0014","79.642","0.007","86.726","0.009","69.981","0.009","1848.6","0.3","100","0.16","100","0.16","","","","","","","","5","P -1","-P 1","2","","","","- C18 H25 N15 O2 S0 -","- C18 H25 N15 O2 -","- C36 H50 N30 O4 -","2","1","","Wang, Hailong; Wu, Hui; Kan, Jinglan; Chang, Ganggang; Yao, Zizhu; Li, Bin; Zhou, Wei; Xiang, Shengchang; Cong-Gui Zhao, John; Chen, Banglin","A microporous hydrogen-bonded organic framework with amine sites for selective recognition of small molecules","Journal of Materials Chemistry A","2017","5","18","8292","","10.1039/C7TA01364G","","","1.54184","CuKα","","0.0899","0.0732","","","0.2107","0.2289","","","","","","1.084","","","","has coordinates","236300","2020-10-21","18:00:00",""
"7236552","7.9719","0.0003","7.8194","0.0003","38.2632","0.0016","90","","90","","90","","2385.15","0.16","296","2","296","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C12 H10 N2 O4 -","- C12 H10 N2 O4 -","- C96 H80 N16 O32 -","8","1","","Gong, Le Le; Yao, Wan Ting; Liu, Zhi Qiang; Zheng, An Min; Li, Jian Qiang; Feng, Xue Feng; Ma, Lu Fang; Yan, Chang Sheng; Luo, Ming Biao; Luo, Feng","Photoswitching storage of guest molecules in metal‒organic framework for photoswitchable catalysis: exceptional product, ultrahigh photocontrol, and photomodulated size selectivity","Journal of Materials Chemistry A","2017","5","17","7961","","10.1039/C7TA01388D","","","0.71073","MoKα","","0.1074","0.074","","","0.2361","0.278","","","","","","1.046","","","","has coordinates","236303","2020-10-21","18:00:00",""
"7236553","7.4425","0.0003","7.545","0.0003","10.892","0.0005","100.835","0.003","96.718","0.004","113.445","0.003","538.5","0.04","296","2","296","2","","","","","","","","4","P -1","-P 1","2","","","","- C24 H22 N2 O4 -","- C24 H22 N2 O4 -","- C24 H22 N2 O4 -","1","0.5","","Gong, Le Le; Yao, Wan Ting; Liu, Zhi Qiang; Zheng, An Min; Li, Jian Qiang; Feng, Xue Feng; Ma, Lu Fang; Yan, Chang Sheng; Luo, Ming Biao; Luo, Feng","Photoswitching storage of guest molecules in metal‒organic framework for photoswitchable catalysis: exceptional product, ultrahigh photocontrol, and photomodulated size selectivity","Journal of Materials Chemistry A","2017","5","17","7961","","10.1039/C7TA01388D","","","0.71073","MoKα","","0.0645","0.0554","","","0.1559","0.1699","","","","","","1.022","","","","has coordinates","236303","2020-10-21","18:00:00",""
"7236554","4.6524","0.0002","19.8872","0.0008","21.2306","0.0008","90","","100.61","0.003","90","","1930.74","0.14","296","2","296","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C20 H18 N2 O6 -","- C20 H18 N2 O6 -","- C80 H72 N8 O24 -","4","1","","Gong, Le Le; Yao, Wan Ting; Liu, Zhi Qiang; Zheng, An Min; Li, Jian Qiang; Feng, Xue Feng; Ma, Lu Fang; Yan, Chang Sheng; Luo, Ming Biao; Luo, Feng","Photoswitching storage of guest molecules in metal‒organic framework for photoswitchable catalysis: exceptional product, ultrahigh photocontrol, and photomodulated size selectivity","Journal of Materials Chemistry A","2017","5","17","7961","","10.1039/C7TA01388D","","","0.71073","MoKα","","0.0786","0.0509","","","0.1382","0.1608","","","","","","1.015","","","","has coordinates","236303","2020-10-21","18:00:00",""
"7236555","15.601","0.014","5.347","0.006","17.88","0.02","90","","124.97","0.07","90","","1222","2","296","2","296","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C12 H10 Br N O2 -","- C12 H10 Br N O2 -","- C48 H40 Br4 N4 O8 -","4","1","","Gong, Le Le; Yao, Wan Ting; Liu, Zhi Qiang; Zheng, An Min; Li, Jian Qiang; Feng, Xue Feng; Ma, Lu Fang; Yan, Chang Sheng; Luo, Ming Biao; Luo, Feng","Photoswitching storage of guest molecules in metal‒organic framework for photoswitchable catalysis: exceptional product, ultrahigh photocontrol, and photomodulated size selectivity","Journal of Materials Chemistry A","2017","5","17","7961","","10.1039/C7TA01388D","","","0.71073","MoKα","","0.1624","0.0763","","","0.1872","0.2275","","","","","","0.845","","","","has coordinates","236303","2020-10-21","18:00:00",""
"7236556","9.2759","0.0005","8.5195","0.0004","21.3359","0.001","90","","93.68","0.003","90","","1682.61","0.14","296","2","296","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C17 H17 N2 O5 -","- C17 H17 N2 O5 -","- C68 H68 N8 O20 -","4","1","","Gong, Le Le; Yao, Wan Ting; Liu, Zhi Qiang; Zheng, An Min; Li, Jian Qiang; Feng, Xue Feng; Ma, Lu Fang; Yan, Chang Sheng; Luo, Ming Biao; Luo, Feng","Photoswitching storage of guest molecules in metal‒organic framework for photoswitchable catalysis: exceptional product, ultrahigh photocontrol, and photomodulated size selectivity","Journal of Materials Chemistry A","2017","5","17","7961","","10.1039/C7TA01388D","","","0.71073","MoKα","","0.0745","0.0621","","","0.1709","0.1831","","","","","","1.066","","","","has coordinates","236303","2020-10-21","18:00:00",""
"7236557","12.2298","0.0018","25.203","0.003","20.219","0.002","90","","90","","90","","6232.1","1.3","110","2","110","2","","","","","","","","5","P n n a","-P 2a 2bc","52","","","","- C28 H16 In N4 O8 -","- C28 H16 In N4 O8 -","- C112 H64 In4 N16 O32 -","4","0.5","","Gong, Le Le; Yao, Wan Ting; Liu, Zhi Qiang; Zheng, An Min; Li, Jian Qiang; Feng, Xue Feng; Ma, Lu Fang; Yan, Chang Sheng; Luo, Ming Biao; Luo, Feng","Photoswitching storage of guest molecules in metal‒organic framework for photoswitchable catalysis: exceptional product, ultrahigh photocontrol, and photomodulated size selectivity","Journal of Materials Chemistry A","2017","5","17","7961","","10.1039/C7TA01388D","","","0.71073","MoKα","","0.0833","0.049","","","0.1161","0.1242","","","","","","0.928","","","","has coordinates","236303","2020-10-21","18:00:00",""
"7236558","4.0497","0.0019","10.774","0.005","13.882","0.006","103.934","0.008","96.959","0.009","91.161","0.009","582.8","0.5","296","2","296","2","","","","","","","","4","P -1","-P 1","2","","","","- C12 H10 N2 O4 -","- C12 H10 N2 O4 -","- C24 H20 N4 O8 -","2","1","","Gong, Le Le; Yao, Wan Ting; Liu, Zhi Qiang; Zheng, An Min; Li, Jian Qiang; Feng, Xue Feng; Ma, Lu Fang; Yan, Chang Sheng; Luo, Ming Biao; Luo, Feng","Photoswitching storage of guest molecules in metal‒organic framework for photoswitchable catalysis: exceptional product, ultrahigh photocontrol, and photomodulated size selectivity","Journal of Materials Chemistry A","2017","5","17","7961","","10.1039/C7TA01388D","","","0.71073","MoKα","","0.3788","0.1114","","","0.2049","0.2493","","","","","","1.074","","","","has coordinates","236303","2020-10-21","18:00:00",""
"7236559","6.8919","0.0008","17.956","0.003","9.5863","0.0012","90","","95.958","0.009","90","","1179.9","0.3","296","2","296","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C12 H10 F N O2 -","- C12 H10 F N O2 -","- C48 H40 F4 N4 O8 -","4","1","","Gong, Le Le; Yao, Wan Ting; Liu, Zhi Qiang; Zheng, An Min; Li, Jian Qiang; Feng, Xue Feng; Ma, Lu Fang; Yan, Chang Sheng; Luo, Ming Biao; Luo, Feng","Photoswitching storage of guest molecules in metal‒organic framework for photoswitchable catalysis: exceptional product, ultrahigh photocontrol, and photomodulated size selectivity","Journal of Materials Chemistry A","2017","5","17","7961","","10.1039/C7TA01388D","","","0.71073","MoKα","","0.1229","0.0906","","","0.2792","0.318","","","","","","1.089","","","","has coordinates","236303","2020-10-21","18:00:00",""
"7236560","14.903","0.007","5.3559","0.0017","17.777","0.008","90","","124.5","0.03","90","","1169.4","0.9","296","2","296","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C12 H10 Cl N O2 -","- C12 H10 Cl N O2 -","- C48 H40 Cl4 N4 O8 -","4","1","","Gong, Le Le; Yao, Wan Ting; Liu, Zhi Qiang; Zheng, An Min; Li, Jian Qiang; Feng, Xue Feng; Ma, Lu Fang; Yan, Chang Sheng; Luo, Ming Biao; Luo, Feng","Photoswitching storage of guest molecules in metal‒organic framework for photoswitchable catalysis: exceptional product, ultrahigh photocontrol, and photomodulated size selectivity","Journal of Materials Chemistry A","2017","5","17","7961","","10.1039/C7TA01388D","","","0.71073","MoKα","","0.0983","0.0539","","","0.1368","0.1653","","","","","","1.006","","","","has coordinates","236303","2020-10-21","18:00:00",""
"7236561","6.3191","0.0002","6.3191","0.0002","6.3191","0.0002","90","","90","","90","","252.328","0.014","300","0.1","300","0.1","","","","","","","","5","P m -3 m","-P 4 2 3","221","","?CH3NH3?0.85[CH(NH2)2]0.15PbI3","","- C H5.85 I3 N1.15 Pb -","- C I3 N1.14 Pb -","- C I3 N1.14 Pb -","1","0.0208333","","Huang, Yuan; Li, Liang; Liu, Zonghao; Jiao, Haoyang; He, Yuqing; Wang, Xiaoge; Zhu, Rui; Wang, Dong; Sun, Junliang; Chen, Qi; Zhou, Huanping","The intrinsic properties of FA(1−x)MAxPbI3 perovskite single crystals","Journal of Materials Chemistry A","2017","5","18","8537","","10.1039/C7TA01441D","","","0.71073","MoKα","","0.0259","0.0259","","","0.0608","0.0608","","","","","","1.182","","","","has coordinates","236305","2020-10-21","18:00:00",""
"7236562","6.3749","0.0004","6.3749","0.0004","6.3749","0.0004","90","","90","","90","","259.07","0.03","300","0.1","300","0.1","","","","","","","","5","P m -3 m","-P 4 2 3","221","","[CH(NH2)2]0.85[CH3NH3]0.15PbI3","","- C H5.15 I3 N1.85 Pb -","- C I3 N1.86 Pb -","- C I3 N1.86 Pb -","1","0.0208333","","Huang, Yuan; Li, Liang; Liu, Zonghao; Jiao, Haoyang; He, Yuqing; Wang, Xiaoge; Zhu, Rui; Wang, Dong; Sun, Junliang; Chen, Qi; Zhou, Huanping","The intrinsic properties of FA(1−x)MAxPbI3 perovskite single crystals","Journal of Materials Chemistry A","2017","5","18","8537","","10.1039/C7TA01441D","","","0.71073","MoKα","","0.0281","0.0281","","","0.0595","0.0595","","","","","","1.199","","","","has coordinates","236305","2020-10-21","18:00:00",""
"7236563","6.3691","0.0002","6.3691","0.0002","6.3691","0.0002","90","","90","","90","","258.365","0.014","300","2","300","2","","","","","","","","5","P -4 3 m","P -4 2 3","215","","Formamidinium Lead Iodide","","- C H5 I3 N2 Pb -","- C I3 N2.04 Pb -","- C I3 N2.04 Pb -","1","0.0416667","","Huang, Yuan; Li, Liang; Liu, Zonghao; Jiao, Haoyang; He, Yuqing; Wang, Xiaoge; Zhu, Rui; Wang, Dong; Sun, Junliang; Chen, Qi; Zhou, Huanping","The intrinsic properties of FA(1−x)MAxPbI3 perovskite single crystals","Journal of Materials Chemistry A","2017","5","18","8537","","10.1039/C7TA01441D","","","0.71073","MoKα","","0.0125","0.0125","","","0.0343","0.0343","","","","","","1.235","","","","has coordinates","236305","2020-10-21","18:00:00",""
"7236564","15.673","0.004","15.378","0.004","15.991","0.004","90","","95.467","0.003","90","","3836.6","1.7","298","2","298.15","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C72 H48 Co4 N12 O16 -","- C72 H48 Co4 N12 O16 -","- C144 H96 Co8 N24 O32 -","2","0.5","","Chen, Wen-Miao; Meng, Xiao-Ling; Zhuang, Gui-Lin; Wang, Zhi; Kurmoo, Mohamedally; Zhao, Quan-Qin; Wang, Xing-Po; Shan, Bairong; Tung, Chen-Ho; Sun, Di","A superior fluorescent sensor for Al3+ and UO22+ based on a Co(ii) metal‒organic framework with exposed pyrimidyl Lewis base sites","Journal of Materials Chemistry A","2017","5","25","13079","","10.1039/C7TA01546A","","","0.71073","MoKα","","0.0988","0.0616","","","0.1539","0.1705","","","","","","1.046","","","","has coordinates","236307","2020-10-21","18:00:00",""
"7236565","19.8841","0.0001","19.8841","0.0001","19.8841","0.0001","90","","90","","90","","7861.72","0.07","293","2","293","2","","","","","","","","5","P a -3","-P 2ac 2ab 3","205","","","","- C36 H25 O8 Pb6 S12 -","- C36 H24.3334 O8 Pb6 S12 -","- C144 H97.3336 O32 Pb24 S48 -","4","0.166667","","Huang, Jiahong; He, Yonghe; Yao, Ming-Shui; He, Jun; Xu, Gang; Zeller, Matthias; Xu, Zhengtao","A semiconducting gyroidal metal-sulfur framework for chemiresistive sensing","Journal of Materials Chemistry A","2017","5","31","16139","","10.1039/C7TA02069D","","","1.54178","CuKα","","0.0699","0.0574","","","0.1424","0.1535","","","","","","1.087","","","","has coordinates,has disorder","236309","2020-10-21","18:00:00",""
"7236566","7.5171","0.0004","12.3224","0.0006","13.2336","0.0006","89.038","0.002","73.997","0.002","87.037","0.002","1176.73","0.1","200","","200","","","","","","","","","5","P -1","-P 1","2","","","","- C28 H24 B F N7 -","- C28 H24 B F N7 -","- C56 H48 B2 F2 N14 -","2","1","","Li, Tian-yi; Meyer, Toni; Meerheim, Rico; Höppner, Marco; Körner, Christian; Vandewal, Koen; Zeika, Olaf; Leo, Karl","Aza-BODIPY dyes with heterocyclic substituents and their derivatives bearing a cyanide co-ligand: NIR donor materials for vacuum-processed solar cells","Journal of Materials Chemistry A","2017","5","21","10696","","10.1039/C7TA02133J","","x-ray","0.71073","MoKα","","0.099","0.0646","","","0.1733","0.1888","","","","","","1.054","","","","has coordinates","236312","2020-10-21","18:00:00",""
"7236567","9.0354","0.0004","11.8886","0.0005","13.4146","0.0006","102.045","0.003","108.397","0.003","99.521","0.003","1295.03","0.11","200","","200","","","","","","","","","3","P -1","-P 1","2","","","","- C34 H25 N5 -","- C34 H25 N5 -","- C68 H50 N10 -","2","1","","Li, Tian-yi; Meyer, Toni; Meerheim, Rico; Höppner, Marco; Körner, Christian; Vandewal, Koen; Zeika, Olaf; Leo, Karl","Aza-BODIPY dyes with heterocyclic substituents and their derivatives bearing a cyanide co-ligand: NIR donor materials for vacuum-processed solar cells","Journal of Materials Chemistry A","2017","5","21","10696","","10.1039/C7TA02133J","","x-ray","0.71073","MoKα","","0.0922","0.0427","","","0.0806","0.0937","","","","","","0.923","","","","has coordinates","236312","2020-10-21","18:00:00",""
"7236568","10.3714","0.0019","11.612","0.002","13.514","0.003","104.995","0.007","111.124","0.006","91.603","0.007","1453.1","0.5","200","","200","","","","","","","","","7","P -1","-P 1","2","","","","- C30 H30 B F2 N3 S2 Si2 -","- C30 H30 B F2 N3 S2 Si2 -","- C60 H60 B2 F4 N6 S4 Si4 -","2","1","","Li, Tian-yi; Meyer, Toni; Meerheim, Rico; Höppner, Marco; Körner, Christian; Vandewal, Koen; Zeika, Olaf; Leo, Karl","Aza-BODIPY dyes with heterocyclic substituents and their derivatives bearing a cyanide co-ligand: NIR donor materials for vacuum-processed solar cells","Journal of Materials Chemistry A","2017","5","21","10696","","10.1039/C7TA02133J","","x-ray","0.71073","MoKα","","0.0672","0.0426","","","0.0998","0.1125","","","","","","1.034","","","","has coordinates","236312","2020-10-21","18:00:00",""
"7236569","10.9204","0.0011","11.8225","0.0012","12.8908","0.0013","85.313","0.004","73.628","0.003","65.884","0.003","1456.4","0.3","100","2","100","","","","","","","","","5","P -1","-P 1","2","","","","- C34 H24 B F2 N5 -","- C34 H24 B F2 N5 -","- C68 H48 B2 F4 N10 -","2","1","","Li, Tian-yi; Meyer, Toni; Meerheim, Rico; Höppner, Marco; Körner, Christian; Vandewal, Koen; Zeika, Olaf; Leo, Karl","Aza-BODIPY dyes with heterocyclic substituents and their derivatives bearing a cyanide co-ligand: NIR donor materials for vacuum-processed solar cells","Journal of Materials Chemistry A","2017","5","21","10696","","10.1039/C7TA02133J","","x-ray","0.71073","MoKα","","0.1005","0.0709","","","0.1982","0.2122","","","","","","1.046","","","","has coordinates,has disorder","236312","2020-10-21","18:00:00",""
"7236570","11.5408","0.0008","11.6206","0.0008","18.3621","0.0012","90","","90","","90","","2462.6","0.3","173","2","173","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C8 H3 N11 O5 -","- C8 H3 N11 O5 -","- C64 H24 N88 O40 -","8","1","","Sun, Qi; Shen, Cheng; Li, Xin; Lin, Qiuhan; Lu, Ming","Combination of four oxadiazole rings for the generation of energetic materials with high detonation performance, low sensitivity and excellent thermal stability","Journal of Materials Chemistry A","2017","5","22","11063","","10.1039/C7TA02209C","","","0.71073","MoKα","","0.1102","0.0607","","","0.1218","0.143","","","","","","1.061","","","","has coordinates","236314","2020-10-21","18:00:00",""
"7236571","8.3476","0.0006","9.6589","0.0007","9.7715","0.0008","105.546","0.003","97.6","0.002","111.74","0.002","681.05","0.09","173","2","173","2","","","","","","","","4","P -1","-P 1","2","","","","- C8 H6 N12 O6 -","- C8 H6 N12 O6 -","- C16 H12 N24 O12 -","2","1","","Sun, Qi; Shen, Cheng; Li, Xin; Lin, Qiuhan; Lu, Ming","Combination of four oxadiazole rings for the generation of energetic materials with high detonation performance, low sensitivity and excellent thermal stability","Journal of Materials Chemistry A","2017","5","22","11063","","10.1039/C7TA02209C","","","0.71073","MoKα","","0.1033","0.0558","","","0.1018","0.1202","","","","","","1.052","","","","has coordinates","236314","2020-10-21","18:00:00",""
"7236572","4.7289","0.0006","10.5845","0.0012","14.3425","0.0019","90","","90.185","0.005","90","","717.88","0.15","172","2","172","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C8 H8 N12 O6 -","- C8 H8 N12 O6 -","- C16 H16 N24 O12 -","2","0.5","","Sun, Qi; Shen, Cheng; Li, Xin; Lin, Qiuhan; Lu, Ming","Combination of four oxadiazole rings for the generation of energetic materials with high detonation performance, low sensitivity and excellent thermal stability","Journal of Materials Chemistry A","2017","5","22","11063","","10.1039/C7TA02209C","","","0.71073","MoKα","","0.0855","0.0494","","","0.0939","0.1049","","","","","","1.038","","","","has coordinates","236314","2020-10-21","18:00:00",""
"7236573","15.8351","0.0017","7.8057","0.0008","12.8372","0.0011","90","","108.495","0.004","90","","1504.8","0.3","173","2","173","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C8 H12 N14 O6 -","- C8 H12 N14 O6 -","- C32 H48 N56 O24 -","4","0.5","","Sun, Qi; Shen, Cheng; Li, Xin; Lin, Qiuhan; Lu, Ming","Combination of four oxadiazole rings for the generation of energetic materials with high detonation performance, low sensitivity and excellent thermal stability","Journal of Materials Chemistry A","2017","5","22","11063","","10.1039/C7TA02209C","","","0.71073","MoKα","","0.068","0.0431","","","0.0956","0.1063","","","","","","1.044","","","","has coordinates","236314","2020-10-21","18:00:00",""
"7236574","4.588","0.0004","11.0597","0.001","14.3951","0.0011","90","","91.645","0.005","90","","730.13","0.11","172","2","172","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C8 H8 N12 O7 -","- C8 H8 N12 O7 -","- C16 H16 N24 O14 -","2","0.5","","Sun, Qi; Shen, Cheng; Li, Xin; Lin, Qiuhan; Lu, Ming","Combination of four oxadiazole rings for the generation of energetic materials with high detonation performance, low sensitivity and excellent thermal stability","Journal of Materials Chemistry A","2017","5","22","11063","","10.1039/C7TA02209C","","","0.71073","MoKα","","0.0701","0.044","","","0.0828","0.0919","","","","","","1.044","","","","has coordinates","236314","2020-10-21","18:00:00",""
"7236575","38.042","0.005","47.94","0.005","31.301","0.004","90","","118.75","0.003","90","","50048","11","153","2","153","","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C111.82 H58 In3 N8 O24 -","- C111.83 H58 In3 N8 O24 -","- C894.64 H464 In24 N64 O192 -","8","1","","Li, Qing; Xue, Dong-Xu; Zhang, Yu-Feng; Zhang, Zong-Hui; Gao, Ziwei; Bai, Junfeng","A dual-functional indium‒organic framework towards organic pollutant decontamination via physically selective adsorption and chemical photodegradation","Journal of Materials Chemistry A","2017","5","27","14182","","10.1039/C7TA02216F","","","0.71073","MoKα","","0.1417","0.1123","","","0.2966","0.332","","","","","","1.032","","","","has coordinates,has disorder","236315","2020-10-21","18:00:00",""
"7236576","22.0442","0.0011","66.069","0.003","22.1563","0.0011","90","","106.575","0.004","90","","30928","3","130.15","","130.15","","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C36 H38 B2 F48 Mg O14 -","- C36 H38 B2 F48 Mg O14 -","- C720 H760 B40 F960 Mg20 O280 -","20","2.5","","Zhao-Karger, Zhirong; Gil Bardaji, Maria Elisa; Fuhr, Olaf; Fichtner, Maximilian","A new class of non-corrosive, highly efficient electrolytes for rechargeable magnesium batteries","Journal of Materials Chemistry A","2017","5","22","10815","","10.1039/C7TA02237A","","x-ray","1.54186","CuKα","","0.1321","0.1032","","","0.2149","0.2278","","","","","","1.111","","","","has coordinates,has disorder","236318","2020-10-21","18:00:00",""
"7236577","19.7011","0.0009","10.5118","0.0005","17.6789","0.0008","90","","107.472","0.001","90","","3492.3","0.3","296","2","296","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C8 H13 N0 Na0 O10 Tb -","- C8 H13 O10 Tb -","- C64 H104 O80 Tb8 -","8","1","","Ji, Guanfeng; Liu, Jingjuan; Gao, Xuechuan; Sun, Wei; Wang, JinZeng; Zhao, Shenglu; Liu, ZhiLiang","A luminescent lanthanide MOF for selectively and ultra-high sensitively detecting Pb2+ ions in aqueous solution","Journal of Materials Chemistry A","2017","5","21","10200","","10.1039/C7TA02439H","","","0.71073","MoKα","","0.0242","0.023","","","0.0783","0.0791","","","","","","1.118","","","","has coordinates","236320","2020-10-21","18:00:00",""
"7236578","6.0874","0.0002","19.321","0.0008","8.3437","0.0003","90","","108.255","0.001","90","","931.95","0.06","150","2","150","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","TNNMP","3,4,5-Trinitro-1-(nitromethyl)-1H-pyrazole","","- C4 H2 N6 O8 -","- C4 H2 N6 O8 -","- C16 H8 N24 O32 -","4","1","","Kumar, Dheeraj; Imler, Gregory H.; Parrish, Damon A.; Shreeve, Jean'ne M.","3,4,5-Trinitro-1-(nitromethyl)-1H-pyrazole (TNNMP): a perchlorate free high energy density oxidizer with high thermal stability","Journal of Materials Chemistry A","2017","5","21","10437","","10.1039/C7TA02585H","","","0.71073","MoKα","","0.0354","0.0325","","","0.0825","0.0849","","","","","","1.047","","","","has coordinates","236322","2020-10-21","18:00:00",""
"7236579","6.7081","0.0002","13.8115","0.0005","9.3931","0.0003","90","","99.282","0.002","90","","858.87","0.05","150","2","150","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C4 H4 N6 O6 -","- C4 H4 N6 O6 -","- C16 H16 N24 O24 -","4","1","","Kumar, Dheeraj; Imler, Gregory H.; Parrish, Damon A.; Shreeve, Jean'ne M.","3,4,5-Trinitro-1-(nitromethyl)-1H-pyrazole (TNNMP): a perchlorate free high energy density oxidizer with high thermal stability","Journal of Materials Chemistry A","2017","5","21","10437","","10.1039/C7TA02585H","","","1.54178","CuKα","","0.0364","0.0333","","","0.0835","0.0859","","","","","","1.017","","","","has coordinates","236322","2020-10-21","18:00:00",""
"7236580","17.7662","0.0012","17.7662","0.0012","26.797","0.002","90","","90","","120","","7325","0.9","296","","296.15","","","","","","","","","5","P 63/m c m","-P 6c 2","193","","","","- C41 H38 Co3 N5 O10 -","- C36 H27 Co3 N4 O9 -","- C144 H108 Co12 N16 O36 -","4","0.166667","","Zhao, Jiao; Wang, Qi; Sun, Chunyi; Zheng, Tiantian; Yan, Likai; Li, Mengting; Shao, Kuizhan; Wang, Xinlong; Su, Zhongmin","A hexanuclear cobalt metal‒organic framework for efficient CO2 reduction under visible light","Journal of Materials Chemistry A","2017","5","24","12498","","10.1039/C7TA02611K","","","0.71073","MoKα","","0.092","0.0669","","","0.1847","0.2094","","","","","","1.078","","","","has coordinates","236324","2020-10-21","18:00:00",""
"7236581","10.915","0.01","11.321","0.01","14.814","0.012","90","","109.602","0.013","90","","1724","3","296","2","296","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C12 H8 Cu N2 O4 -","- C12 H8 Cu N2 O4 -","- C48 H32 Cu4 N8 O16 -","4","1","","Cheng, Fujun; Li, Qianqian; Duan, Jingui; Hosono, Nobuhiko; Noro, Shin-ichiro; Krishna, Rajamani; Lyu, Hongliang; Kusaka, Shinpei; Jin, Wanqin; Kitagawa, Susumu","Fine-tuning optimal porous coordination polymers using functional alkyl groups for CH4 purification","Journal of Materials Chemistry A","2017","5","34","17874","","10.1039/C7TA02760E","","","0.71073","MoKα","","0.1198","0.0979","","","0.2912","0.3139","","","","","","1.164","","","","has coordinates","236326","2020-10-21","18:00:00",""
"7236582","10.83","0.007","11.889","0.008","14.559","0.009","90","","109.594","0.008","90","","1766","2","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C11 H6 Cu N2 O4 -","- C11 H6 Cu N2 O4 -","- C44 H24 Cu4 N8 O16 -","4","1","","Cheng, Fujun; Li, Qianqian; Duan, Jingui; Hosono, Nobuhiko; Noro, Shin-ichiro; Krishna, Rajamani; Lyu, Hongliang; Kusaka, Shinpei; Jin, Wanqin; Kitagawa, Susumu","Fine-tuning optimal porous coordination polymers using functional alkyl groups for CH4 purification","Journal of Materials Chemistry A","2017","5","34","17874","","10.1039/C7TA02760E","","","0.71073","MoKα","","0.1227","0.0899","","","0.2465","0.2592","","","","","","1.01","","","","has coordinates","236326","2020-10-21","18:00:00",""
"7236583","10.93","0.03","13.71","0.04","13.47","0.03","90","","111.86","0.03","90","","1873","9","296","2","296","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C13 H10 Cu N2 O4 -","- C13 H10 Cu N2 O4 -","- C52 H40 Cu4 N8 O16 -","4","1","","Cheng, Fujun; Li, Qianqian; Duan, Jingui; Hosono, Nobuhiko; Noro, Shin-ichiro; Krishna, Rajamani; Lyu, Hongliang; Kusaka, Shinpei; Jin, Wanqin; Kitagawa, Susumu","Fine-tuning optimal porous coordination polymers using functional alkyl groups for CH4 purification","Journal of Materials Chemistry A","2017","5","34","17874","","10.1039/C7TA02760E","","","0.71073","MoKα","","0.1831","0.1122","","","0.2809","0.3116","","","","","","1.003","","","","has coordinates","236326","2020-10-21","18:00:00",""
"7236584","12.678","0.005","14.408","0.005","20.225","0.007","90","","90","","90","","3694","2","296","2","296","2","","","","","","","","5","P b c n","-P 2n 2ab","60","","","","- C12 H8 Cu N2 O4 -","- C12 H8 Cu N2 O4 -","- C96 H64 Cu8 N16 O32 -","8","1","","Cheng, Fujun; Li, Qianqian; Duan, Jingui; Hosono, Nobuhiko; Noro, Shin-ichiro; Krishna, Rajamani; Lyu, Hongliang; Kusaka, Shinpei; Jin, Wanqin; Kitagawa, Susumu","Fine-tuning optimal porous coordination polymers using functional alkyl groups for CH4 purification","Journal of Materials Chemistry A","2017","5","34","17874","","10.1039/C7TA02760E","","","0.71073","MoKα","","0.1681","0.1032","","","0.2291","0.2639","","","","","","1.002","","","","has coordinates","236326","2020-10-21","18:00:00",""
"7236585","10.7984","0.0004","12.0726","0.0005","14.4123","0.0006","93.451","0.001","102.587","0.002","112.715","0.001","1669.59","0.12","291","2","291","2","","","","","","","","6","P -1","-P 1","2","","","","- C13 H29 Er3 N O26 P -","- C13 H29 Er3 N O26 P -","- C26 H58 Er6 N2 O52 P2 -","2","1","","Liang, Xiaoqiang; Cai, Kun; Zhang, Feng; Liu, Jia; Zhu, Guangshan","A proton-conductive lanthanide oxalatophosphonate framework featuring unique chemical stability: stabilities of bulk phase and surface structure","Journal of Materials Chemistry A","2017","5","48","25350","","10.1039/C7TA03744A","","","0.71073","MoKα","","0.0631","0.0568","","","0.1393","0.1408","","","","","","1.043","","","","has coordinates","236329","2020-10-21","18:00:00",""
"7236586","11.3815","0.0001","20.5728","0.0005","34.5573","0.0005","90","","90","","90","","8091.6","0.2","293","2","293","2","","","","","","","","5","F d d d :2","-F 2uv 2vw","70","","","","- C15 H12 Co N5 O6 -","- C15 H12 Co N5 O6 -","- C240 H192 Co16 N80 O96 -","16","0.5","","Rajak, Richa; Saraf, Mohit; Mohammad, Akbar; Mobin, Shaikh M.","Design and construction of a ferrocene based inclined polycatenated Co-MOF for supercapacitor and dye adsorption applications","Journal of Materials Chemistry A","2017","5","34","17998","","10.1039/C7TA03773B","","","1.5418","CuKα","","0.0549","0.0463","","","0.1393","0.1472","","","","","","1.104","","","","has coordinates","236331","2020-10-21","18:00:00",""
"7236587","16.027","0.0006","18.4421","0.0007","32.2078","0.0017","90","","90","","90","","9519.7","0.7","293","2","293","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C88 H98 Co4 Fe4 N8 O33 -","- C88 H98 Co4 Fe4 N8 O33 -","- C352 H392 Co16 Fe16 N32 O132 -","4","1","","Rajak, Richa; Saraf, Mohit; Mohammad, Akbar; Mobin, Shaikh M.","Design and construction of a ferrocene based inclined polycatenated Co-MOF for supercapacitor and dye adsorption applications","Journal of Materials Chemistry A","2017","5","34","17998","","10.1039/C7TA03773B","","","1.54184","CuKα","","0.3072","0.1322","","","0.2743","0.3831","","","","","","0.965","","","","has coordinates","236331","2020-10-21","18:00:00",""
"7236588","34.284","0.005","14.7645","0.0018","24.392","0.004","90","","127.042","0.003","90","","9855","3","113","2","113.15","","","","","","","","","7","C 1 2/c 1","-C 2yc","15","","","","- C74 H134 Br4 Mn Mo6 N7 O26 -","- C74 H134 Br4 Mn Mo6 N7 O26 -","- C296 H536 Br16 Mn4 Mo24 N28 O104 -","4","0.5","","Li, Yusen; Liu, Mingxuan; Chen, Long","Polyoxometalate built-in conjugated microporous polymers for visible-light heterogeneous photocatalysis","Journal of Materials Chemistry A","2017","5","26","13757","","10.1039/C7TA03776G","","","0.71073","MoKα","","0.0929","0.0625","","","0.1579","0.18","","","","","","1.091","","","","has coordinates,has disorder","236332","2020-10-21","18:00:00",""
"7236589","10.9405","0.0012","12.6609","0.0013","17.2175","0.0018","91.149","0.003","96.514","0.003","112.944","0.003","2176.7","0.4","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C37 H32 Cd2 N6 O8 -","- C37 H32 Cd2 N6 O8 -","- C74 H64 Cd4 N12 O16 -","2","1","","Zhao, Dan; Liu, Xiao-Hui; Zhao, Yue; Wang, Peng; Liu, Yi; Azam, Mohammad; Al-Resayes, Saud I.; Lu, Yi; Sun, Wei-Yin","Luminescent Cd(ii)‒organic frameworks with chelating NH2 sites for selective detection of Fe(iii) and antibiotics","Journal of Materials Chemistry A","2017","5","30","15797","","10.1039/C7TA03849F","","","0.71073","MoKα","","0.0756","0.0524","","","0.1394","0.1486","","","","","","1.193","","","","has coordinates","236334","2020-10-21","18:00:00",""
"7236590","10.764","0.0015","10.8279","0.0015","14.278","0.002","69.098","0.002","85.433","0.003","64.744","0.002","1400.8","0.3","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C48 H64 Cd2 N14 O11 -","- C48 H64 Cd2 N14 O11 -","- C48 H64 Cd2 N14 O11 -","1","0.5","","Zhao, Dan; Liu, Xiao-Hui; Zhao, Yue; Wang, Peng; Liu, Yi; Azam, Mohammad; Al-Resayes, Saud I.; Lu, Yi; Sun, Wei-Yin","Luminescent Cd(ii)‒organic frameworks with chelating NH2 sites for selective detection of Fe(iii) and antibiotics","Journal of Materials Chemistry A","2017","5","30","15797","","10.1039/C7TA03849F","","","0.71073","MoKα","","0.051","0.0413","","","0.1149","0.1217","","","","","","1.028","","","","has coordinates","236334","2020-10-21","18:00:00",""
"7236591","9.807","0.0014","13.1382","0.0019","18.607","0.003","89.278","0.002","76.577","0.002","70.256","0.002","2189.2","0.6","293","2","293","2","","","","","","","","6","P -1","-P 1","2","","","","- C33 H30 Cd2 N6 Na O10 -","- C33 H30 Cd2 N6 Na O10 -","- C66 H60 Cd4 N12 Na2 O20 -","2","1","","Zhao, Dan; Liu, Xiao-Hui; Zhao, Yue; Wang, Peng; Liu, Yi; Azam, Mohammad; Al-Resayes, Saud I.; Lu, Yi; Sun, Wei-Yin","Luminescent Cd(ii)‒organic frameworks with chelating NH2 sites for selective detection of Fe(iii) and antibiotics","Journal of Materials Chemistry A","2017","5","30","15797","","10.1039/C7TA03849F","","","0.71073","MoKα","","0.0628","0.0445","","","0.1144","0.1239","","","","","","0.992","","","","has coordinates","236334","2020-10-21","18:00:00",""
"7236592","24.068","0.003","10.0444","0.0013","43.667","0.005","90","","92.677","0.002","90","","10545","2","293","2","293","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C41 H36 Cd2 N6 O8 -","- C41 H36 Cd2 N6 O8 -","- C328 H288 Cd16 N48 O64 -","8","1","","Zhao, Dan; Liu, Xiao-Hui; Zhao, Yue; Wang, Peng; Liu, Yi; Azam, Mohammad; Al-Resayes, Saud I.; Lu, Yi; Sun, Wei-Yin","Luminescent Cd(ii)‒organic frameworks with chelating NH2 sites for selective detection of Fe(iii) and antibiotics","Journal of Materials Chemistry A","2017","5","30","15797","","10.1039/C7TA03849F","","","0.71073","MoKα","","0.0799","0.0736","","","0.163","0.1673","","","","","","1.219","","","","has coordinates,has disorder","236334","2020-10-21","18:00:00",""
"7236593","25.338","0.006","9.524","0.002","18.12","0.004","90","","129.684","0.003","90","","3365.1","1.3","293","2","293","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C30 H26 Cd3 N2 O14 -","- C30 H26 Cd3 N2 O14 -","- C120 H104 Cd12 N8 O56 -","4","0.5","","Zhao, Dan; Liu, Xiao-Hui; Zhao, Yue; Wang, Peng; Liu, Yi; Azam, Mohammad; Al-Resayes, Saud I.; Lu, Yi; Sun, Wei-Yin","Luminescent Cd(ii)‒organic frameworks with chelating NH2 sites for selective detection of Fe(iii) and antibiotics","Journal of Materials Chemistry A","2017","5","30","15797","","10.1039/C7TA03849F","","","0.71073","MoKα","","0.0359","0.0288","","","0.0835","0.0876","","","","","","1.133","","","","has coordinates,has disorder","236334","2020-10-21","18:00:00",""
"7236594","33.0267","0.0005","33.0267","0.0005","9.1815","0.0003","90","","90","","120","","8673.1","0.3","100","0.1","100","0.1","","","","","","","","5","R -3 :H","-R 3","148","","BUT-83","","- C44 H24 Co N6 O4 -","- C44 H24 Co N6 O4 -","- C396 H216 Co9 N54 O36 -","9","0.5","","Wu, Hao; Yang, Fan; Lv, Xiu-Liang; Wang, Bin; Zhang, Yong-Zheng; Zhao, Min-Jian; Li, Jian-Rong","A stable porphyrinic metal‒organic framework pore-functionalized by high-density carboxylic groups for proton conduction","Journal of Materials Chemistry A","2017","5","28","14525","","10.1039/C7TA03917D","","x-ray","1.54178","CuKα","","0.124","0.0792","","","0.2131","0.2607","","","","","","1.064","","","","has coordinates","236337","2020-10-21","18:00:00",""
"7236595","14.185","0.002","10.6148","0.0016","30.936","0.005","90","","90","","90","","4658.1","1.2","153","2","153","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C14 H36 B10 N4 -","- C14 H36 B10 N4 -","- C112 H288 B80 N32 -","8","1","","Jiao, Nianming; Zhang, Yanqiang; Liu, Long; Shreeve, Jean'ne M.; Zhang, Suojiang","Hypergolic fuels based on water-stable borohydride cluster anions with ultralow ignition delay times","Journal of Materials Chemistry A","2017","5","26","13341","","10.1039/C7TA04038E","","","0.71073","MoKα","","0.0648","0.0594","","","0.1602","0.1653","","","","","","1.003","","","","has coordinates,has disorder","236339","2020-10-21","18:00:00",""
"7236596","8.616","0.0017","17.164","0.003","15.238","0.003","90","","99.15","0.03","90","","2224.8","0.8","153","2","153","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C16 H43 B6 N -","- C16 H43 B6 N -","- C64 H172 B24 N4 -","4","1","","Jiao, Nianming; Zhang, Yanqiang; Liu, Long; Shreeve, Jean'ne M.; Zhang, Suojiang","Hypergolic fuels based on water-stable borohydride cluster anions with ultralow ignition delay times","Journal of Materials Chemistry A","2017","5","26","13341","","10.1039/C7TA04038E","","","0.71073","MoKα","","0.0878","0.0766","","","0.1758","0.1911","","","","","","1.218","","","","has coordinates","236339","2020-10-21","18:00:00",""
"7236597","9.6","0.003","10.708","0.003","11.824","0.003","90","","98.996","0.003","90","","1200.5","0.6","153","2","153","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C14 H38 B12 N4 -","- C14 H38 B12 N4 -","- C28 H76 B24 N8 -","2","0.5","","Jiao, Nianming; Zhang, Yanqiang; Liu, Long; Shreeve, Jean'ne M.; Zhang, Suojiang","Hypergolic fuels based on water-stable borohydride cluster anions with ultralow ignition delay times","Journal of Materials Chemistry A","2017","5","26","13341","","10.1039/C7TA04038E","","","0.71073","MoKα","","0.0565","0.0476","","","0.1056","0.1112","","","","","","1.001","","","","has coordinates","236339","2020-10-21","18:00:00",""
"7236598","17.452","0.01","17.834","0.01","20.187","0.011","106.59","0.008","100.966","0.009","109.185","0.007","5400","5","90","","90","","","","","","","","","6","P -1","-P 1","2","C6-DPP-CP","","","- C117 H132 Cl9 N8 O4 S4 -","- C117 H132 Cl9 N8 O4 S4 -","- C234 H264 Cl18 N16 O8 S8 -","2","1","","Takahashi, Kohtaro; Kumagai, Daichi; Yamada, Naoya; Kuzuhara, Daiki; Yamaguchi, Yuji; Aratani, Naoki; Koganezawa, Tomoyuki; Koshika, Sota; Yoshimoto, Noriyuki; Masuo, Sadahiro; Suzuki, Mitsuharu; Nakayama, Ken-ichi; Yamada, Hiroko","Side-chain engineering in a thermal precursor approach for efficient photocurrent generation","Journal of Materials Chemistry A","2017","5","27","14003","","10.1039/C7TA04162D","","","0.71073","MoKα","","0.1978","0.1093","","","0.273","0.3568","","","","","","1.047","","","","has coordinates","236341","2020-10-21","18:00:00",""
"7236599","4.481","0.003","13.193","0.009","22.544","0.015","90","","89.879","0.013","90","","1332.7","1.6","100","2","100","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","Bz-Pb-I","","- C6 H9 I3 N O Pb -","- C6 H7 I3 N O Pb -","- C24 H28 I12 N4 O4 Pb4 -","4","1","","Tathavadekar, Mukta; Krishnamurthy, Shrreya; Banerjee, Aparna; Nagane, Satyawan; Gawli, Yogesh; Suryawanshi, Anil; Bhat, Suresh; Puthusseri, Dhanya; Mohite, Aditya D.; Ogale, Satishchandra","Low-dimensional hybrid perovskites as high performance anodes for alkali-ion batteries","Journal of Materials Chemistry A","2017","5","35","18634","","10.1039/C7TA04529H","","","0.71073","MoKα","","0.074","0.0722","","","0.1792","0.1798","","","","","","1.387","","","","has coordinates,has disorder","236343","2020-10-21","18:00:00",""
"7236600","8.2438","0.0012","31.628","0.004","17.204","0.002","90","","93.388","0.002","90","","4477.8","1","293","2","293","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","MPHII","3-methyl-1-phenyl-1H-imidazol-3-ium iodide","","- C10 H11 I N2 -","- C10 H11 I N2 -","- C160 H176 I16 N32 -","16","4","","Zhang, Meirong; Jin, Zhitong; Feng, Chuanqi; Wang, Min; Wang, Zhong-Sheng","Phenyl and thienyl functionalized imidazolium iodides for highly efficient quasi-solid-state dye-sensitized solar cells","Journal of Materials Chemistry A","2017","5","32","16976","","10.1039/C7TA04717G","","","0.71073","MoKα","","0.099","0.0699","","","0.1785","0.19","","","","","","1.108","","","","has coordinates","236346","2020-10-21","18:00:00",""
"7236601","19.028","0.006","7.932","0.003","13.915","0.005","90","","90","","90","","2100.2","1.3","173","2","173","2","","","","","","","","5","P c a 21","P 2c -2ac","29","MT3II","3-methyl-1-(thiophen-3-yl)-1H-imidazol-3-ium iodide","","- C8 H9 I N2 S -","- C8 H9 I N2 S -","- C64 H72 I8 N16 S8 -","8","2","","Zhang, Meirong; Jin, Zhitong; Feng, Chuanqi; Wang, Min; Wang, Zhong-Sheng","Phenyl and thienyl functionalized imidazolium iodides for highly efficient quasi-solid-state dye-sensitized solar cells","Journal of Materials Chemistry A","2017","5","32","16976","","10.1039/C7TA04717G","","","0.71073","MoKα","","0.034","0.03","","","0.0842","0.0866","","","","","","1.091","","","","has coordinates,has disorder","236346","2020-10-21","18:00:00",""
"7236602","18.903","0.01","6.311","0.003","17.95","0.009","90","","90","","90","","2141.4","1.9","223","2","223","2","","","","","","","","5","P n a 21","P 2c -2n","33","MT2II","","","- C8 H9 I N2 S -","- C8 H9 I N2 S -","- C64 H72 I8 N16 S8 -","8","2","","Zhang, Meirong; Jin, Zhitong; Feng, Chuanqi; Wang, Min; Wang, Zhong-Sheng","Phenyl and thienyl functionalized imidazolium iodides for highly efficient quasi-solid-state dye-sensitized solar cells","Journal of Materials Chemistry A","2017","5","32","16976","","10.1039/C7TA04717G","","","0.71073","MoKα","","0.047","0.0419","","","0.1077","0.1118","","","","","","1.122","","","","has coordinates,has disorder","236346","2020-10-21","18:00:00",""
"7236603","21.074","0.0019","21.074","0.0019","12.766","0.002","90","","90","","90","","5669.6","1.1","296","2","296","2","","","","","","","","7","I 41/a m d :2","-I 4bd 2","141","","","","- C16 H8 Cu10 N24 O40 P W12 -","- C16 H8 Cu10 N24 O40 P W12 -","- C64 H32 Cu40 N96 O160 P4 W48 -","4","0.125","","Zhu, Pei-Pei; Sheng, Ning; Li, Meng-Ting; Li, Ji-Sen; Liu, Guo-Dong; Yang, Xi-Ya; Sha, Jing-Quan; Zhu, Meng-Liang; Jiang, Jianzhuang","Fabrication and electrochemical performance of unprecedented POM-based metal‒carbene frameworks","Journal of Materials Chemistry A","2017","5","34","17920","","10.1039/C7TA05254E","","","0.71073","MoKα","","0.0501","0.0414","","","0.107","0.1176","","","","","","1.116","","","","has coordinates","236348","2020-10-21","18:00:00",""
"7236604","21.0434","0.0008","21.0434","0.0008","12.7594","0.0009","90","","90","","90","","5650.2","0.5","296","2","296","2","","","","","","","","7","I 41/a m d :2","-I 4bd 2","141","","","","- C16 H8 Cu10 N24 O40 Si W12 -","- C16 H8 Cu10 N24 O40 Si W12 -","- C64 H32 Cu40 N96 O160 Si4 W48 -","4","0.125","","Zhu, Pei-Pei; Sheng, Ning; Li, Meng-Ting; Li, Ji-Sen; Liu, Guo-Dong; Yang, Xi-Ya; Sha, Jing-Quan; Zhu, Meng-Liang; Jiang, Jianzhuang","Fabrication and electrochemical performance of unprecedented POM-based metal‒carbene frameworks","Journal of Materials Chemistry A","2017","5","34","17920","","10.1039/C7TA05254E","","","0.71073","MoKα","","0.0235","0.0221","","","0.0575","0.0581","","","","","","1.162","","","","has coordinates","236348","2020-10-21","18:00:00",""
"7236605","17.631","0.002","18.379","0.003","24.555","0.003","91.948","0.006","98.062","0.006","114.16","0.005","7151.2","1.7","110","2","110","2","","","","","","","","5","P -1","-P 1","2","","","","- C84 H70 N8 Ni O4 -","- C84 H70 N8 Ni O4 -","- C336 H280 N32 Ni4 O16 -","4","2","","Mishra, Ruchika; Regar, Ramprasad; Singhal, Rahul; Panini, Piyush; Sharma, Ganesh D.; Sankar, Jeyaraman","Porphyrin based push‒pull conjugates as donors for solution-processed bulk heterojunction solar cells: a case of metal-dependent power conversion efficiency","Journal of Materials Chemistry A","2017","5","30","15529","","10.1039/C7TA05338J","","","0.71073","MoKα","","0.3073","0.1506","","","0.3299","0.3937","","","","","","1.059","","","","has coordinates","236350","2020-10-21","18:00:00",""
"7236606","5.8835","0.0003","16.3726","0.0007","10.507","0.0004","90","","98.424","0.001","90","","1001.2","0.08","150","2","150","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C3 H10 N12 O2 -","- C3 H10 N12 O2 -","- C12 H40 N48 O8 -","4","1","","Kumar, Dheeraj; Imler, Gregory H.; Parrish, Damon A.; Shreeve, Jean'ne M.","Aminoacetonitrile as precursor for nitrogen rich stable and insensitive asymmetric N-methylene-C linked tetrazole-based energetic compounds","Journal of Materials Chemistry A","2017","5","32","16767","","10.1039/C7TA05394K","","","0.71073","MoKα","","0.0324","0.0303","","","0.0798","0.0818","","","","","","1.052","","","","has coordinates","236352","2020-10-21","18:00:00",""
"7236607","15.6803","0.0006","6.6171","0.0003","17.0112","0.0007","90","","115.87","0.001","90","","1588.17","0.12","150","2","150","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","N-(1-((1H-tetrazol-5-yl)methyl)-1H-tetrazol-5(4H)-ylidene)nitramide","","- C3 H4 N10 O2 -","- C3 H4 N10 O2 -","- C24 H32 N80 O16 -","8","1","","Kumar, Dheeraj; Imler, Gregory H.; Parrish, Damon A.; Shreeve, Jean'ne M.","Aminoacetonitrile as precursor for nitrogen rich stable and insensitive asymmetric N-methylene-C linked tetrazole-based energetic compounds","Journal of Materials Chemistry A","2017","5","32","16767","","10.1039/C7TA05394K","","","0.71073","MoKα","","0.0385","0.0336","","","0.0863","0.0899","","","","","","1.053","","","","has coordinates","236352","2020-10-21","18:00:00",""
"7236608","6.8412","0.0002","16.3568","0.0004","17.7892","0.0004","90","","91.272","0.001","90","","1990.12","0.09","150","2","150","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C9 H16 N26 O2 -","- C9 H16 N26 O2 -","- C36 H64 N104 O8 -","4","1","","Kumar, Dheeraj; Imler, Gregory H.; Parrish, Damon A.; Shreeve, Jean'ne M.","Aminoacetonitrile as precursor for nitrogen rich stable and insensitive asymmetric N-methylene-C linked tetrazole-based energetic compounds","Journal of Materials Chemistry A","2017","5","32","16767","","10.1039/C7TA05394K","","","0.71073","MoKα","","0.0463","0.037","","","0.0922","0.0977","","","","","","1.026","","","","has coordinates","236352","2020-10-21","18:00:00",""
"7236609","4.94","0.003","5.906","0.004","12.109","0.007","97.538","0.009","90.277","0.008","105.359","0.009","337.4","0.4","150","2","150","2","","","","","","","","3","P -1","-P 1","2","","1-((1H-tetrazol-5-yl)methyl)-1H-tetrazol-5-amine","","- C3 H5 N9 -","- C3 H5 N9 -","- C6 H10 N18 -","2","1","","Kumar, Dheeraj; Imler, Gregory H.; Parrish, Damon A.; Shreeve, Jean'ne M.","Aminoacetonitrile as precursor for nitrogen rich stable and insensitive asymmetric N-methylene-C linked tetrazole-based energetic compounds","Journal of Materials Chemistry A","2017","5","32","16767","","10.1039/C7TA05394K","","","0.71073","MoKα","","0.0332","0.0293","","","0.0676","0.0725","","","","","","1.106","","","","has coordinates","236352","2020-10-21","18:00:00",""
"7236610","8.1638","0.001","12.1332","0.0016","16.74","0.002","90","","99.227","0.009","90","","1636.7","0.4","140","","140","","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C6 H12 Co N10 O14 -","- C6 H12 Co N10 O14 -","- C24 H48 Co4 N40 O56 -","4","2","","Shen, Cheng; Xu, Yuan-gang; Lu, Ming","A series of high-energy coordination polymers with 3,6-bis(4-nitroamino-1,2,5-oxadiazol-3-yl)-1,4,2,5-dioxadiazine, a ligand with multi-coordination sites, high oxygen content and detonation performance: syntheses, structures, and performance","Journal of Materials Chemistry A","2017","5","35","18854","","10.1039/C7TA05479C","","","0.71073","MoKα","","0.0768","0.0518","","","0.1211","0.1336","","","","","","1.026","","","","has coordinates","236355","2020-10-21","18:00:00",""
"7236611","5.1863","0.0004","16.5502","0.0014","10.248","0.0009","90","","93.952","0.004","90","","877.54","0.13","296.15","","296.15","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C6 H12 Cu N10 O14 -","- C6 H12 Cu N10 O14 -","- C12 H24 Cu2 N20 O28 -","2","0.5","","Shen, Cheng; Xu, Yuan-gang; Lu, Ming","A series of high-energy coordination polymers with 3,6-bis(4-nitroamino-1,2,5-oxadiazol-3-yl)-1,4,2,5-dioxadiazine, a ligand with multi-coordination sites, high oxygen content and detonation performance: syntheses, structures, and performance","Journal of Materials Chemistry A","2017","5","35","18854","","10.1039/C7TA05479C","","","0.71073","MoKα","","0.035","0.0301","","","0.0883","0.0909","","","","","","1.093","","","","has coordinates","236355","2020-10-21","18:00:00",""
"7236612","10.724","0.002","8.2255","0.0019","12.527","0.003","90","","103.154","0.005","90","","1076","0.4","173","","173","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C6 H7 Ag N6 O5 -","- C6 H7 Ag N6 O5 -","- C24 H28 Ag4 N24 O20 -","4","1","","Shen, Cheng; Xu, Yuan-gang; Lu, Ming","A series of high-energy coordination polymers with 3,6-bis(4-nitroamino-1,2,5-oxadiazol-3-yl)-1,4,2,5-dioxadiazine, a ligand with multi-coordination sites, high oxygen content and detonation performance: syntheses, structures, and performance","Journal of Materials Chemistry A","2017","5","35","18854","","10.1039/C7TA05479C","","","0.71073","MoKα","","0.0376","0.0296","","","0.0762","0.0805","","","","","","1.032","","","","has coordinates","236355","2020-10-21","18:00:00",""
"7236613","8.6085","0.0012","8.3879","0.001","8.7084","0.0012","90","","99.777","0.005","90","","619.68","0.14","173","2","173","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C6 Ag2 N10 O8 -","- C6 Ag2 N10 O8 -","- C12 Ag4 N20 O16 -","2","0.5","","Shen, Cheng; Xu, Yuan-gang; Lu, Ming","A series of high-energy coordination polymers with 3,6-bis(4-nitroamino-1,2,5-oxadiazol-3-yl)-1,4,2,5-dioxadiazine, a ligand with multi-coordination sites, high oxygen content and detonation performance: syntheses, structures, and performance","Journal of Materials Chemistry A","2017","5","35","18854","","10.1039/C7TA05479C","","","0.71073","MoKα","","0.0724","0.0399","","","0.0566","0.0631","","","","","","1.049","","","","has coordinates,has disorder","236355","2020-10-21","18:00:00",""
"7236614","27.315","0.005","14.9299","0.0029","16.5157","0.0029","90","","110.786","0.011","90","","6297","2","297","","297","","","","","","","","","8","C 1 2/c 1","-C 2yc","15","","","","- C24.43 H16 Cu D2.43 F6 N4 O6 S2 -","- C24.434 H16 Cu D2.434 F6 N4 O6 S2 -","- C195.472 H128 Cu8 D19.472 F48 N32 O48 S16 -","8","1","","Li, Libo; Lin, Rui-Biao; Krishna, Rajamani; Wang, Xiaoqing; Li, Bin; Wu, Hui; Li, Jinping; Zhou, Wei; Chen, Banglin","Efficient separation of ethylene from acetylene/ethylene mixtures by a flexible-robust metal‒organic framework","Journal of Materials Chemistry A","2017","5","36","18984","","10.1039/C7TA05598F","powder diffraction","neutron","2.0775","","","","","","","","","0.16371","","1.32","","","","","","","has coordinates","236357","2020-10-21","18:00:00",""
"7236615","12.9644","0.0012","13.163","0.0012","23.03","0.002","90","","104.724","0.003","90","","3801","0.6","120","2","120","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C36 H45 Br O11 Ti2 -","- C36 H45 Br O11 Ti2 -","- C144 H180 Br4 O44 Ti8 -","4","1","","Guo, Yao; Hou, Jin-Le; Luo, Wen; Li, Zhao-Qi; Zou, Dan-Hong; Zhu, Qin-Yu; Dai, Jie","Effects of co-coordinated auxiliary ligands on the photoelectrochemical behaviour of titanium-alkoxide-dyes","Journal of Materials Chemistry A","2017","5","34","18270","","10.1039/C7TA05639G","","","0.71073","MoKα","","0.098","0.0543","","","0.094","0.1345","","","","","","1.124","","","","has coordinates","236359","2020-10-21","18:00:00",""
"7236616","9.6859","0.0003","21.755","0.0006","19.0222","0.0005","90","","93.686","0.003","90","","4000","0.2","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C36 H45 N O13 Ti2 -","- C36 H45 N O13 Ti2 -","- C144 H180 N4 O52 Ti8 -","4","1","","Guo, Yao; Hou, Jin-Le; Luo, Wen; Li, Zhao-Qi; Zou, Dan-Hong; Zhu, Qin-Yu; Dai, Jie","Effects of co-coordinated auxiliary ligands on the photoelectrochemical behaviour of titanium-alkoxide-dyes","Journal of Materials Chemistry A","2017","5","34","18270","","10.1039/C7TA05639G","","","0.71073","MoKα","","0.1144","0.0665","","","0.1243","0.1442","","","","","","1.065","","","","has coordinates","236359","2020-10-21","18:00:00",""
"7236617","9.6424","0.0013","21.475","0.003","18.64","0.002","90","","96.606","0.004","90","","3834.2","0.9","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C36 H45 F O11 Ti2 -","- C36 H38 F O11 Ti2 -","- C144 H152 F4 O44 Ti8 -","4","1","","Guo, Yao; Hou, Jin-Le; Luo, Wen; Li, Zhao-Qi; Zou, Dan-Hong; Zhu, Qin-Yu; Dai, Jie","Effects of co-coordinated auxiliary ligands on the photoelectrochemical behaviour of titanium-alkoxide-dyes","Journal of Materials Chemistry A","2017","5","34","18270","","10.1039/C7TA05639G","","","0.71073","MoKα","","0.1764","0.0902","","","0.1451","0.1731","","","","","","1.084","","","","has coordinates","236359","2020-10-21","18:00:00",""
"7236618","13.42","0.007","14.187","0.006","26.269","0.014","80","0.02","81.54","0.02","66.431","0.016","4498","4","298","2","298","2","","","","","","","","7","P -1","-P 1","2","","","","- C160 H186 Br2 Co8 N12 O50 S8 -","- C160 H184 Br2 Co8 N12 O50 S8 -","- C160 H184 Br2 Co8 N12 O50 S8 -","1","0.5","","Bhuvaneswari, Nagarajan; Annamalai, K. P.; Dai, Feng-Rong; Chen, Zhong-Ning","Pyridinium functionalized coordination containers as highly efficient electrocatalysts for sustainable oxygen evolution","Journal of Materials Chemistry A","2017","5","45","23559","","10.1039/C7TA05797K","","","0.71073","MoKα","","0.1266","0.1021","","","0.2987","0.3256","","","","","","1.063","","","","has coordinates","236362","2020-10-21","18:00:00",""
"7236619","13.404","0.008","13.953","0.007","26.278","0.017","79.49","0.03","81.51","0.03","65.614","0.019","4387","5","298","2","298","2","","","","","","","","7","P -1","-P 1","2","","","","- C136 H130 Br2 N4 Ni8 O42 S8 -","- C136 H128 Br2 N4 Ni8 O42 S8 -","- C136 H128 Br2 N4 Ni8 O42 S8 -","1","0.5","","Bhuvaneswari, Nagarajan; Annamalai, K. P.; Dai, Feng-Rong; Chen, Zhong-Ning","Pyridinium functionalized coordination containers as highly efficient electrocatalysts for sustainable oxygen evolution","Journal of Materials Chemistry A","2017","5","45","23559","","10.1039/C7TA05797K","","","0.71073","MoKα","","0.1498","0.0989","","","0.2727","0.3053","","","","","","1.005","","","","has coordinates,has disorder","236363","2020-10-21","18:00:00",""
"7236620","22.156","0.008","22.156","0.008","8.111","0.004","90","","90","","90","","3982","3","293","2","293","2","","","","","","","","5","P -4 21 c","P -4 2n","114","","","","- C10 H15 I3 N Pb -","- C10 H15 I3 N Pb -","- C80 H120 I24 N8 Pb8 -","8","1","","Wang, Guan-E; Yao, Ming-Shui; Cai, Min-Lan; Xiu, Jing-Wei; Li, Yan-Zhou; Xu, Gang; Guo, Guo-Cong","Constructing semiconductive crystalline microporous materials by Coulomb interactions","Journal of Materials Chemistry A","2017","5","35","18409","","10.1039/C7TA05805E","","","0.71073","MoKα","","0.1135","0.0637","","","0.1507","0.1769","","","","","","1.026","","","","has coordinates","236364","2020-10-21","18:00:00",""
"7236621","3.839","0.001","16.867","0.003","26.618","0.005","92.87","0.03","91.46","0.03","93.89","0.03","1716.7","0.6","298","2","298","2","","","","","","","","3","P -1","-P 1","2","","","","- C38 H16 O4 -","- C38 H16 O4 -","- C114 H48 O12 -","3","1.5","","Węcławski, Marek K.; Jakešová, Marie; Charyton, Martyna; Demitri, Nicola; Koszarna, Beata; Oppelt, Kerstin; Sariciftci, Serdar; Gryko, Daniel T.; Głowacki, Eric Daniel","Biscoumarin-containing acenes as stable organic semiconductors for photocatalytic oxygen reduction to hydrogen peroxide","J. Mater. Chem. A","2017","5","39","20780","","10.1039/C7TA05882A","","","0.7","Synchrotron","","0.0683","0.0583","","","0.1618","0.1708","","","","","","1.036","","","","has coordinates","236365","2020-10-21","18:00:00",""
"7236622","3.798","0.001","16.829","0.003","26.367","0.005","92.78","0.03","92.17","0.03","93.76","0.03","1678.3","0.6","100","2","100","2","","","","","","","","3","P -1","-P 1","2","","","","- C38 H16 O4 -","- C38 H16 O4 -","- C114 H48 O12 -","3","1.5","","Węcławski, Marek K.; Jakešová, Marie; Charyton, Martyna; Demitri, Nicola; Koszarna, Beata; Oppelt, Kerstin; Sariciftci, Serdar; Gryko, Daniel T.; Głowacki, Eric Daniel","Biscoumarin-containing acenes as stable organic semiconductors for photocatalytic oxygen reduction to hydrogen peroxide","J. Mater. Chem. A","2017","5","39","20780","","10.1039/C7TA05882A","","","0.7","Synchrotron","","0.0693","0.0662","","","0.178","0.1811","","","","","","1.05","","","","has coordinates","236365","2020-10-21","18:00:00",""
"7236623","7.334","0.002","10.849","0.002","24.774","0.005","90","","92.14","0.03","90","","1969.8","0.8","298","2","298","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C30 H8 F4 O4 -","- C30 H8 F4 O4 -","- C120 H32 F16 O16 -","4","1","","Węcławski, Marek K.; Jakešová, Marie; Charyton, Martyna; Demitri, Nicola; Koszarna, Beata; Oppelt, Kerstin; Sariciftci, Serdar; Gryko, Daniel T.; Głowacki, Eric Daniel","Biscoumarin-containing acenes as stable organic semiconductors for photocatalytic oxygen reduction to hydrogen peroxide","J. Mater. Chem. A","2017","5","39","20780","","10.1039/C7TA05882A","","","0.7","Synchrotron","","0.1081","0.0599","","","0.1481","0.1835","","","","","","1.006","","","","has coordinates","236365","2020-10-21","18:00:00",""
"7236624","8.91","0.002","9.404","0.002","11.968","0.002","77.86","0.03","74.36","0.03","67.64","0.03","886.5","0.4","100","2","100","2","","","","","","","","3","P -1","-P 1","2","","","","- C30 H12 O4 -","- C30 H12 O4 -","- C60 H24 O8 -","2","1","","Węcławski, Marek K.; Jakešová, Marie; Charyton, Martyna; Demitri, Nicola; Koszarna, Beata; Oppelt, Kerstin; Sariciftci, Serdar; Gryko, Daniel T.; Głowacki, Eric Daniel","Biscoumarin-containing acenes as stable organic semiconductors for photocatalytic oxygen reduction to hydrogen peroxide","J. Mater. Chem. A","2017","5","39","20780","","10.1039/C7TA05882A","","","0.7","Synchrotron","","0.0937","0.0662","","","0.1734","0.2007","","","","","","1.016","","","","has coordinates","236365","2020-10-21","18:00:00",""
"7236625","9.009","0.002","9.437","0.002","12.056","0.002","77.63","0.03","74.11","0.03","68.35","0.03","908.9","0.4","298","2","298","2","","","","","","","","3","P -1","-P 1","2","","","","- C30 H12 O4 -","- C30 H12 O4 -","- C60 H24 O8 -","2","1","","Węcławski, Marek K.; Jakešová, Marie; Charyton, Martyna; Demitri, Nicola; Koszarna, Beata; Oppelt, Kerstin; Sariciftci, Serdar; Gryko, Daniel T.; Głowacki, Eric Daniel","Biscoumarin-containing acenes as stable organic semiconductors for photocatalytic oxygen reduction to hydrogen peroxide","J. Mater. Chem. A","2017","5","39","20780","","10.1039/C7TA05882A","","","0.7","Synchrotron","","0.0957","0.0596","","","0.1479","0.1778","","","","","","1.002","","","","has coordinates","236365","2020-10-21","18:00:00",""
"7236626","7.239","0.001","10.792","0.002","24.598","0.005","90","","94.27","0.03","90","","1916.3","0.6","100","2","100","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C30 H8 F4 O4 -","- C30 H8 F4 O4 -","- C120 H32 F16 O16 -","4","1","","Węcławski, Marek K.; Jakešová, Marie; Charyton, Martyna; Demitri, Nicola; Koszarna, Beata; Oppelt, Kerstin; Sariciftci, Serdar; Gryko, Daniel T.; Głowacki, Eric Daniel","Biscoumarin-containing acenes as stable organic semiconductors for photocatalytic oxygen reduction to hydrogen peroxide","J. Mater. Chem. A","2017","5","39","20780","","10.1039/C7TA05882A","","","0.7","Synchrotron","","0.0949","0.0537","","","0.1373","0.1636","","","","","","1.017","","","","has coordinates","236365","2020-10-21","18:00:00",""
"7236627","8.4668","0.0003","7.9589","0.0003","10.4031","0.0004","90","","92.847","0.002","90","","700.16","0.05","90","0.2","90","0.2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C16 H17 N O2 S -","- C16 H17 N O2 S -","- C32 H34 N2 O4 S2 -","2","1","","Kowalski, Jeffrey A.; Casselman, Matthew D.; Kaur, Aman Preet; Milshtein, Jarrod D.; Elliott, Corrine F.; Modekrutti, Subrahmanyam; Attanayake, N. Harsha; Zhang, Naijao; Parkin, Sean R.; Risko, Chad; Brushett, Fikile R.; Odom, Susan A.","A stable two-electron-donating phenothiazine for application in nonaqueous redox flow batteries","Journal of Materials Chemistry A","2017","5","46","24371","","10.1039/C7TA05883G","","","0.71073","MoKα","","0.0484","0.039","","","0.0883","0.0921","","","","","","1.067","","","","has coordinates","236367","2020-10-21","18:00:00",""
"7236628","8.2143","0.0005","9.7414","0.0006","10.4899","0.0006","107.352","0.002","101.099","0.002","111.798","0.002","699","0.08","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C14 H13 N O6 Zn -","- C14 H13 N O6 Zn -","- C28 H26 N2 O12 Zn2 -","2","1","","Guo, Xiao-Yu; Zhao, Fei; Liu, Jing-Juan; Liu, Zhi-Liang; Wang, Yan-Qin","An ultrastable zinc(ii)‒organic framework as a recyclable multi-responsive luminescent sensor for Cr(iii), Cr(vi) and 4-nitrophenol in the aqueous phase with high selectivity and sensitivity","Journal of Materials Chemistry A","2017","5","37","20035","","10.1039/C7TA05896A","","","0.71073","MoKα","","0.0259","0.0253","","","0.0693","0.0698","","","","","","0.971","","","","has coordinates","236368","2020-10-21","18:00:00",""
"7236629","6.3241","0.0009","18.197","0.003","7.7647","0.0011","90","","95.544","0.004","90","","889.4","0.2","170","","170","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C2 H3 K N10 O3 -","- C2 H3 K N10 O3 -","- C8 H12 K4 N40 O12 -","4","1","","Wang, Binshen; Qi, Xiujuan; Zhang, Wenquan; Wang, Kangcai; Li, Wei; Zhang, Qinghua","Synthesis of 1-(2H-tetrazol-5-yl)-5-nitraminotetrazole and its derivatives from 5-aminotetrazole and cyanogen azide: a promising strategy towards the development of C‒N linked bistetrazolate energetic materials","J. Mater. Chem. A","2017","5","39","20867","","10.1039/C7TA05905A","","","0.71073","MoKα","","0.066","0.0547","","","0.1672","0.1818","","","","","","1.182","","","","has coordinates","236370","2020-10-21","18:00:00",""
"7236630","3.6735","0.0006","20.633","0.004","7.9016","0.0013","90","","92.69","0.004","90","","598.24","0.18","170","","170","","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C2 H14 N14 O4 -","- C2 H14 N14 O4 -","- C4 H28 N28 O8 -","2","1","","Wang, Binshen; Qi, Xiujuan; Zhang, Wenquan; Wang, Kangcai; Li, Wei; Zhang, Qinghua","Synthesis of 1-(2H-tetrazol-5-yl)-5-nitraminotetrazole and its derivatives from 5-aminotetrazole and cyanogen azide: a promising strategy towards the development of C‒N linked bistetrazolate energetic materials","J. Mater. Chem. A","2017","5","39","20867","","10.1039/C7TA05905A","","","0.71073","MoKα","","0.0292","0.0282","","","0.0668","0.0674","","","","","","1.105","","","","has coordinates","236370","2020-10-21","18:00:00",""
"7236631","7.7628","0.0008","8.472","0.0009","8.6864","0.0009","96.566","0.002","99.093","0.002","107.015","0.002","531.54","0.1","170","","170","","","","","","","","","4","P -1","-P 1","2","","","","- C2 H10 N12 O5 -","- C2 H10 N12 O5 -","- C4 H20 N24 O10 -","2","1","","Wang, Binshen; Qi, Xiujuan; Zhang, Wenquan; Wang, Kangcai; Li, Wei; Zhang, Qinghua","Synthesis of 1-(2H-tetrazol-5-yl)-5-nitraminotetrazole and its derivatives from 5-aminotetrazole and cyanogen azide: a promising strategy towards the development of C‒N linked bistetrazolate energetic materials","J. Mater. Chem. A","2017","5","39","20867","","10.1039/C7TA05905A","","","0.71073","MoKα","","0.041","0.0363","","","0.1031","0.1108","","","","","","1.085","","","","has coordinates","236370","2020-10-21","18:00:00",""
"7236632","6.6274","0.0011","9.3787","0.0014","11.2469","0.0018","102.272","0.003","91.229","0.003","105.997","0.003","654.25","0.18","298","","298","","","","","","","","","4","P -1","-P 1","2","","","","- C3 H11 N15 O6 -","- C3 H11 N15 O6 -","- C6 H22 N30 O12 -","2","1","","Wang, Binshen; Qi, Xiujuan; Zhang, Wenquan; Wang, Kangcai; Li, Wei; Zhang, Qinghua","Synthesis of 1-(2H-tetrazol-5-yl)-5-nitraminotetrazole and its derivatives from 5-aminotetrazole and cyanogen azide: a promising strategy towards the development of C‒N linked bistetrazolate energetic materials","J. Mater. Chem. A","2017","5","39","20867","","10.1039/C7TA05905A","","","0.71073","MoKα","","0.079","0.0641","","","0.1742","0.1898","","","","","","1.033","","","","has coordinates","236370","2020-10-21","18:00:00",""
"7236633","7.767","0.003","11.993","0.004","7.36","0.003","90","","101.904","0.014","90","","670.8","0.4","170","","170","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C8 H8 K4 N36 -","- C8 H8 K4 N36 -","- C8 H8 K4 N36 -","1","0.25","","Wang, Binshen; Qi, Xiujuan; Zhang, Wenquan; Wang, Kangcai; Li, Wei; Zhang, Qinghua","Synthesis of 1-(2H-tetrazol-5-yl)-5-nitraminotetrazole and its derivatives from 5-aminotetrazole and cyanogen azide: a promising strategy towards the development of C‒N linked bistetrazolate energetic materials","J. Mater. Chem. A","2017","5","39","20867","","10.1039/C7TA05905A","","","0.71073","MoKα","","0.0308","0.0259","","","0.0631","0.0657","","","","","","1.061","","","","has coordinates","236370","2020-10-21","18:00:00",""
"7236634","6.663","0.009","16.418","0.017","16.589","0.017","90","","99.96","0.03","90","","1787","4","170","","170","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C2 H7 N11 O3 -","- C2 H7 N11 O3 -","- C16 H56 N88 O24 -","8","2","","Wang, Binshen; Qi, Xiujuan; Zhang, Wenquan; Wang, Kangcai; Li, Wei; Zhang, Qinghua","Synthesis of 1-(2H-tetrazol-5-yl)-5-nitraminotetrazole and its derivatives from 5-aminotetrazole and cyanogen azide: a promising strategy towards the development of C‒N linked bistetrazolate energetic materials","J. Mater. Chem. A","2017","5","39","20867","","10.1039/C7TA05905A","","","0.71073","MoKα","","0.0809","0.0545","","","0.1613","0.1812","","","","","","1","","","","has coordinates","236370","2020-10-21","18:00:00",""
"7236635","9.859","0.0011","11.0355","0.0013","12.5671","0.0014","104.782","0.002","89.974","0.002","109.954","0.002","1237","0.2","300","2","300","2","","","","","","","","6","P -1","-P 1","2","Nickel 5-sulphoisophthalate","","","- C16 H19 Na Ni3 O21 S2 -","- C16 H11 Na Ni3 O20.655 S2 -","- C32 H22 Na2 Ni6 O41.31 S4 -","2","1","","Bell, Jon G.; Morris, Samuel A.; Aidoudi, Farida; McCormick, Laura J.; Morris, Russell E.; Thomas, K. Mark","Physisorption-induced structural change directing carbon monoxide chemisorption and nitric oxide coordination on hemilabile porous metal organic framework NaNi3(OH)(SIP)2(H2O)5·H2O (SIP = 5-sulfoisophthalate)","Journal of Materials Chemistry A","2017","5","45","23577","","10.1039/C7TA05910H","","","0.7749","synchrotron","","0.0869","0.0497","","","0.1037","0.1172","","","","","","1.014","","","","has coordinates,has disorder","236373","2020-10-21","18:00:00",""
"7236636","9.8418","0.0016","10.9891","0.0018","12.587","0.002","104.34","0.003","91.715","0.003","110.678","0.003","1223.5","0.3","400","2","400","2","","","","","","","","6","P -1","-P 1","2","CO loaded Nickel 5-sulphoisophthalate","","","- C16.3 H11 Na Ni3 O17.3 S2 -","- C16.31 H11 Na Ni3 O17 S2 -","- C32.62 H22 Na2 Ni6 O34 S4 -","2","1","","Bell, Jon G.; Morris, Samuel A.; Aidoudi, Farida; McCormick, Laura J.; Morris, Russell E.; Thomas, K. Mark","Physisorption-induced structural change directing carbon monoxide chemisorption and nitric oxide coordination on hemilabile porous metal organic framework NaNi3(OH)(SIP)2(H2O)5·H2O (SIP = 5-sulfoisophthalate)","Journal of Materials Chemistry A","2017","5","45","23577","","10.1039/C7TA05910H","","","0.7749","synchrotron","","0.1018","0.0534","","","0.099","0.1134","","","","","","0.994","","","","has coordinates","236373","2020-10-21","18:00:00",""
"7236637","9.8979","0.0017","10.9915","0.0018","12.589","0.002","104.603","0.003","91.331","0.003","110.658","0.003","1230.6","0.4","400","2","400","2","","","","","","","","7","P -1","-P 1","2","NO loaded Nickel 5-sulphoisophthalate","","","- C16 H11 N0.4 Na Ni3 O17.4 S2 -","- C16 H9 N0.4 Na Ni3 O17.374 S2 -","- C32 H18 N0.8 Na2 Ni6 O34.748 S4 -","2","1","","Bell, Jon G.; Morris, Samuel A.; Aidoudi, Farida; McCormick, Laura J.; Morris, Russell E.; Thomas, K. Mark","Physisorption-induced structural change directing carbon monoxide chemisorption and nitric oxide coordination on hemilabile porous metal organic framework NaNi3(OH)(SIP)2(H2O)5·H2O (SIP = 5-sulfoisophthalate)","Journal of Materials Chemistry A","2017","5","45","23577","","10.1039/C7TA05910H","","","0.7749","synchrotron","","0.099","0.0589","","","0.1149","0.1285","","","","","","1.025","","","","has coordinates","236373","2020-10-21","18:00:00",""
"7236638","9.8415","0.0013","11.0066","0.0015","12.6355","0.0017","104.131","0.003","92.127","0.003","110.798","0.003","1229.2","0.3","400","2","400","2","","","","","","","","6","P -1","-P 1","2","Partially Dehydrated Nickel 5-sulphoisophthalate","","","- C16 H11 Na Ni3 O17 S2 -","- C16 H9 Na Ni3 O17 S2 -","- C32 H18 Na2 Ni6 O34 S4 -","2","1","","Bell, Jon G.; Morris, Samuel A.; Aidoudi, Farida; McCormick, Laura J.; Morris, Russell E.; Thomas, K. Mark","Physisorption-induced structural change directing carbon monoxide chemisorption and nitric oxide coordination on hemilabile porous metal organic framework NaNi3(OH)(SIP)2(H2O)5·H2O (SIP = 5-sulfoisophthalate)","Journal of Materials Chemistry A","2017","5","45","23577","","10.1039/C7TA05910H","","","0.7749","synchrotron","","0.0835","0.0454","","","0.0888","0.1003","","","","","","0.976","","","","has coordinates","236373","2020-10-21","18:00:00",""
"7236639","9.972","0.004","11.192","0.005","12.679","0.005","104.544","0.009","90.078","0.009","110.086","0.009","1280.4","0.9","300","2","300","2","","","","","","","","6","P -1","-P 1","2","Cobalt 5-sulphoisophthalate","","","- C16 H19 Co3 Na O21 S2 -","- C16 H13 Co3 Na O21.007 S2 -","- C32 H26 Co6 Na2 O42.014 S4 -","2","1","","Bell, Jon G.; Morris, Samuel A.; Aidoudi, Farida; McCormick, Laura J.; Morris, Russell E.; Thomas, K. Mark","Physisorption-induced structural change directing carbon monoxide chemisorption and nitric oxide coordination on hemilabile porous metal organic framework NaNi3(OH)(SIP)2(H2O)5·H2O (SIP = 5-sulfoisophthalate)","Journal of Materials Chemistry A","2017","5","45","23577","","10.1039/C7TA05910H","","","0.7749","Synchrotron","","0.0685","0.0437","","","0.1038","0.1143","","","","","","1.04","","","","has coordinates,has disorder","236373","2020-10-21","18:00:00",""
"7236640","18.125","0.008","18.125","0.008","22.375","0.011","90","","90","","90","","7351","6","296","2","296","2","","","","","","","","5","I 41/a m d :2","-I 4bd 2","141","","","","- C36 H68 Co4 N16 O28 -","- C36 H20 Co4 N16 O28 -","- C144 H80 Co16 N64 O112 -","4","0.125","","Li, Jiantang; Dai, Cong; Cao, Yu; Sun, Xiaodong; Li, Guanghua; Huo, Qisheng; Liu, Yunling","Lewis basic site (LBS)-functionalized zeolite-like supramolecular assemblies (ZSAs) with high CO2 uptake performance and highly selective CO2/CH4 separation","J. Mater. Chem. A","2017","5","40","21429","","10.1039/C7TA06003C","","","0.71073","MoKα","","0.0957","0.0755","","","0.2691","0.2999","","","","","","1.132","","","","has coordinates,has disorder","236376","2020-10-21","18:00:00",""
"7236641","19.1419","0.0002","19.1419","0.0002","21.8929","0.0003","90","","90","","90","","8021.83","0.16","296","2","296","2","","","","","","","","5","I 41/a m d :2","-I 4bd 2","141","","","","- C32 H64 Co4 N20 O24 -","- C32 H44 Co4 N20 O24 -","- C128 H176 Co16 N80 O96 -","4","0.125","","Li, Jiantang; Dai, Cong; Cao, Yu; Sun, Xiaodong; Li, Guanghua; Huo, Qisheng; Liu, Yunling","Lewis basic site (LBS)-functionalized zeolite-like supramolecular assemblies (ZSAs) with high CO2 uptake performance and highly selective CO2/CH4 separation","J. Mater. Chem. A","2017","5","40","21429","","10.1039/C7TA06003C","","","0.71073","MoKα","","0.1164","0.073","","","0.2192","0.2628","","","","","","1.049","","","","has coordinates,has disorder","236376","2020-10-21","18:00:00",""
"7236642","19.597","0.004","19.597","0.004","20.713","0.005","90","","90","","90","","7955","3","296","2","296","2","","","","","","","","5","I 41/a m d :2","-I 4bd 2","141","","","","- C44 H86 Co4 N16 O25 -","- C44 H16 Co4 N16 O25 -","- C176 H64 Co16 N64 O100 -","4","0.125","","Li, Jiantang; Dai, Cong; Cao, Yu; Sun, Xiaodong; Li, Guanghua; Huo, Qisheng; Liu, Yunling","Lewis basic site (LBS)-functionalized zeolite-like supramolecular assemblies (ZSAs) with high CO2 uptake performance and highly selective CO2/CH4 separation","J. Mater. Chem. A","2017","5","40","21429","","10.1039/C7TA06003C","","","0.71073","MoKα","","0.0857","0.0667","","","0.2156","0.2439","","","","","","1.059","","","","has coordinates,has disorder","236376","2020-10-21","18:00:00",""
"7236644","13.6593","0.0002","13.6593","0.0002","12.0051","0.0004","90","","90","","90","","2239.87","0.09","45","2","45","2","","","","","","","","6","P 42","P 4c","77","","","","- C24 H42 Cu4 N4 O17 S4 -","- C24 H32 Cu4 N4 O14 S4 -","- C48 H64 Cu8 N8 O28 S8 -","2","0.5","","Mon, Marta; Qu, Xiaoni; Ferrando-Soria, Jesús; Pellicer-Carreño, Isaac; Sepúlveda-Escribano, Antonio; Ramos-Fernandez, Enrique V.; Jansen, Johannes C.; Armentano, Donatella; Pardo, Emilio","Fine-tuning of the confined space in microporous metal‒organic frameworks for efficient mercury removal","Journal of Materials Chemistry A","2017","5","38","20120","","10.1039/C7TA06199D","","x-ray","0.67165","synchrotron","","0.0696","0.0516","","","0.1215","0.1329","","","","","","0.957","","","","has coordinates","236381","2020-10-21","18:00:00",""
"7236645","13.0954","0.0015","13.0954","0.0015","11.5653","0.0013","90","","90","","90","","1983.3","0.4","90","2","90","2","","","","","","","","8","P 42","P 4c","77","","","","- C24 H38 Cl Cu4 Hg0.5 N4 O15 S4 -","- C24 H32 Cl Cu4 Hg0.5 N4 O15 S4 -","- C48 H64 Cl2 Cu8 Hg N8 O30 S8 -","2","0.5","","Mon, Marta; Qu, Xiaoni; Ferrando-Soria, Jesús; Pellicer-Carreño, Isaac; Sepúlveda-Escribano, Antonio; Ramos-Fernandez, Enrique V.; Jansen, Johannes C.; Armentano, Donatella; Pardo, Emilio","Fine-tuning of the confined space in microporous metal‒organic frameworks for efficient mercury removal","Journal of Materials Chemistry A","2017","5","38","20120","","10.1039/C7TA06199D","","","0.71073","MoKα","","0.1177","0.1045","","","0.2617","0.2708","","","","","","1.044","","","","has coordinates","236381","2020-10-21","18:00:00",""
"7236646","12.9735","0.0002","12.9735","0.0002","11.5283","0.0003","90","","90","","90","","1940.35","0.07","45","2","45","2","","","","","","","","8","P 42","P 4c","77","","","","- C24 H34 Cl2 Cu4 Hg N4 O14 S4 -","- C24 H26 Cl2 Cu4 Hg N4 O13 S4 -","- C48 H52 Cl4 Cu8 Hg2 N8 O26 S8 -","2","0.5","","Mon, Marta; Qu, Xiaoni; Ferrando-Soria, Jesús; Pellicer-Carreño, Isaac; Sepúlveda-Escribano, Antonio; Ramos-Fernandez, Enrique V.; Jansen, Johannes C.; Armentano, Donatella; Pardo, Emilio","Fine-tuning of the confined space in microporous metal‒organic frameworks for efficient mercury removal","Journal of Materials Chemistry A","2017","5","38","20120","","10.1039/C7TA06199D","","","0.6889","Synchrotron","","0.0831","0.0799","","","0.2319","0.237","","","","","","0.996","","","","has coordinates","236381","2020-10-21","18:00:00",""
"7236647","13.9664","0.0003","13.9664","0.0003","7.706","0.0005","90","","90","","90","","1503.13","0.11","195","2","195","2","","","","","","","","8","P 4/m m m","-P 4 2","123","","[(TPyP-Fe)Zn(SiF6)]n","","- C40 H24 F6 Fe N8 O2 Si Zn -","- C40 H24 F6 Fe N8 O2 Si Zn -","- C40 H24 F6 Fe N8 O2 Si Zn -","1","0.0625","","Lin, Qipu; Mao, Chengyu; Kong, Aiguo; Bu, Xianhui; Zhao, Xiang; Feng, Pingyun","Porphyrinic coordination lattices with fluoropillars","J. Mater. Chem. A","2017","5","40","21189","","10.1039/C7TA06658A","","","0.71073","MoKα","","0.0973","0.0883","","","0.2524","0.2595","","","","","","0.993","","","","has coordinates","236384","2020-10-21","18:00:00",""
"7236648","13.985","0.01","13.985","0.01","24.4","0.04","90","","90","","90","","4772","9","195","2","195","2","","","","","","","","7","I 4/m","-I 4","87","","[(TPyP-Zn)2F2Zn2(SiF6)]n","","- C84 H52 Cl12 F8 N16 Si Zn4 -","- C84 H52 Cl12 F8 N16 Si Zn4 -","- C168 H104 Cl24 F16 N32 Si2 Zn8 -","2","0.125","","Lin, Qipu; Mao, Chengyu; Kong, Aiguo; Bu, Xianhui; Zhao, Xiang; Feng, Pingyun","Porphyrinic coordination lattices with fluoropillars","J. Mater. Chem. A","2017","5","40","21189","","10.1039/C7TA06658A","","","0.71073","MoKα","","0.2014","0.0875","","","0.2165","0.278","","","","","","0.992","","","","has coordinates","236384","2020-10-21","18:00:00",""
"7236649","33.0984","0.0019","33.0984","0.0019","9.3673","0.0011","90","","90","","120","","8887.1","1.3","195","2","195","2","","","","","","","","4","R -3 :H","-R 3","148","","[TPyP-Cu]n","","- C40 H24 Cu N8 -","- C40 H24 Cu N8 -","- C360 H216 Cu9 N72 -","9","0.5","","Lin, Qipu; Mao, Chengyu; Kong, Aiguo; Bu, Xianhui; Zhao, Xiang; Feng, Pingyun","Porphyrinic coordination lattices with fluoropillars","J. Mater. Chem. A","2017","5","40","21189","","10.1039/C7TA06658A","","","0.71073","MoKα","","0.0736","0.0444","","","0.0836","0.0899","","","","","","1.002","","","","has coordinates","236384","2020-10-21","18:00:00",""
"7236650","8.749","0.0012","8.749","0.0012","8.2061","0.0011","90","","90","","120","","543.98","0.13","296","2","296","2","","","","","","","","5","P 63/m m c","-P 6c 2c","194","","","","- C2 H6 I3 N Pb -","- C2 I3 N0.99 Pb -","- C4 I6 N1.98 Pb2 -","2","0.0833333","","Ju, Dianxing; Zhao, Tianyu; Yangyang, Dang; Zhang, Guodong; Hu, Xiaobo; Cui, Deliang; Tao, Xutang","Gas induced conversion of hybrid perovskite single crystal to single crystal for great enhancement of their photoelectric properties","Journal of Materials Chemistry A","2017","5","41","21919","","10.1039/C7TA07413A","","","0.71073","MoKα","","0.0249","0.0244","","","0.0688","0.0692","","","","","","1.1","","","","has coordinates","236386","2020-10-21","18:00:00",""
"7236651","6.3026","0.0013","6.3026","0.0013","6.3026","0.0013","90","","90","","90","","250.36","0.09","273","2","273","2","","","","","","","","5","P m -3 m","-P 4 2 3","221","","","","- C H6 I3 N Pb -","- I3 N Pb -","- I3 N Pb -","1","0.0208333","","Ju, Dianxing; Zhao, Tianyu; Yangyang, Dang; Zhang, Guodong; Hu, Xiaobo; Cui, Deliang; Tao, Xutang","Gas induced conversion of hybrid perovskite single crystal to single crystal for great enhancement of their photoelectric properties","Journal of Materials Chemistry A","2017","5","41","21919","","10.1039/C7TA07413A","","","0.71073","MoKα","","0.0387","0.0387","","","0.1208","0.1208","","","","","","1.059","","","","has coordinates","236386","2020-10-21","18:00:00",""
"7236652","8.778","0.002","8.778","0.002","8.212","0.002","90","","90","","120","","548","0.2","273","2","273","2","","","","","","","","5","P 63/m m c","-P 6c 2c","194","","","","- C2 H6 I3 N Pb -","- C2 I3 N0.99 Pb -","- C4 I6 N1.98 Pb2 -","2","0.0833333","","Ju, Dianxing; Zhao, Tianyu; Yangyang, Dang; Zhang, Guodong; Hu, Xiaobo; Cui, Deliang; Tao, Xutang","Gas induced conversion of hybrid perovskite single crystal to single crystal for great enhancement of their photoelectric properties","Journal of Materials Chemistry A","2017","5","41","21919","","10.1039/C7TA07413A","","","0.71073","MoKα","","0.0451","0.0441","","","0.1142","0.1155","","","","","","1.086","","","","has coordinates","236386","2020-10-21","18:00:00",""
"7236653","16.4994","0.0003","17.8761","0.0003","19.447","0.0004","90.9771","0.0007","100.693","0.0007","102.996","0.0007","5481.48","0.18","123","2","123","2","","","","","","","","5","P -1","-P 1","2","TIPSTEP-Mg-Ph-Pyridine","TIPSTEP-Mg-Ph-Pyridine","","- C63 H65 Mg N5 Si2 -","- C63 H65 Mg N5 Si2 -","- C252 H260 Mg4 N20 Si8 -","4","2","","Ogumi, Keisuke; Nakagawa, Takafumi; Okada, Hiroshi; Sakai, Ryohei; Wang, Huan; Matsuo, Yutaka","Substituent effects in magnesium tetraethynylporphyrin with two diketopyrrolopyrrole units for bulk heterojunction organic solar cells","Journal of Materials Chemistry A","2017","5","44","23067","","10.1039/C7TA07576F","","","1.54187","CuKα","","0.1301","0.0754","","","0.2058","0.2472","","","","","","1.106","","","","has coordinates","236387","2020-10-21","18:00:00",""
"7236654","8.4747","0.0005","13.7672","0.0008","13.9878","0.0008","82.573","0.003","83.187","0.003","82.072","0.003","1594.37","0.16","296","2","296","2","","","","","","","","5","P -1","-P 1","2","Mg-TIPSTEP-C6H4Hex","Mg-TIPSTEP-C6H4Hex","","- C70 H84 Mg N4 Si2 -","- C70 H84 Mg N4 Si2 -","- C70 H84 Mg N4 Si2 -","1","0.5","","Ogumi, Keisuke; Nakagawa, Takafumi; Okada, Hiroshi; Sakai, Ryohei; Wang, Huan; Matsuo, Yutaka","Substituent effects in magnesium tetraethynylporphyrin with two diketopyrrolopyrrole units for bulk heterojunction organic solar cells","Journal of Materials Chemistry A","2017","5","44","23067","","10.1039/C7TA07576F","","","1.54187","CuK?a","","0.2042","0.1249","","","0.3398","0.4056","","","","","","1.099","","","","has coordinates","236388","2020-10-21","18:00:00",""
"7236655","10.5854","0.0016","12.2457","0.0018","16.403","0.002","90","","90","","90","","2126.2","0.5","298","2","298.15","","","","","","","","","6","P n a 21","P 2c -2n","33","","","","- C18 H18 Co N6 O6 S -","- C18 H18 Co N6 O6 S -","- C72 H72 Co4 N24 O24 S4 -","4","1","","Wang, Fan; Zhuo, Hong-Yan; Han, Xiguang; Chen, Wen-Miao; Sun, Di","Foam-like CoO@N,S-codoped carbon composites derived from a well-designed N,S-rich Co-MOF for lithium-ion batteries","Journal of Materials Chemistry A","2017","5","44","22964","","10.1039/C7TA07971K","","","0.71073","MoKα","","0.0339","0.0294","","","0.076","0.0789","","","","","","1.031","","","","has coordinates","236390","2020-10-21","18:00:00",""
"7236656","5.222","0.002","8.635","0.004","11.558","0.005","90","","100.115","0.005","90","","513.1","0.4","296","2","296","2","","","","","","","","5","P 1 21 1","P 2yb","4","WHU-3","Cu-(Gly-Thr)?2H2O","","- C6 H14 Cu N2 O6 -","- C6 H14 Cu N2 O6 -","- C12 H28 Cu2 N4 O12 -","2","1","","Ma, Ning; Lin, Cong; Wu, Nian; Liu, Qi; Ma, Jia-Le; Meng, Wei; Wang, Xiao-Shuang; Zhang, Lu; Xu, Xiaohui; Zhao, Yifang; Zhuang, Lin; Fan, Jun; Sun, Junliang; Zhuo, Ren-Xi; Zhang, Xian-Zheng","Stomata-like metal peptide coordination polymer","Journal of Materials Chemistry A","2017","5","45","23440","","10.1039/C7TA08002F","","","0.71073","MoKα","","0.0533","0.0474","","","0.1128","0.1167","","","","","","1.032","","","","has coordinates","236391","2020-10-21","18:00:00",""
"7236657","5.2865","0.0007","8.718","0.0011","17.773","0.004","90","","90","","90","","819.1","0.2","180","0.1","180","0.1","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","Cu-(Gly-Thr)","","- C6 H10 Cu N2 O4 -","- C6 H10 Cu N2 O4 -","- C24 H40 Cu4 N8 O16 -","4","1","","Ma, Ning; Lin, Cong; Wu, Nian; Liu, Qi; Ma, Jia-Le; Meng, Wei; Wang, Xiao-Shuang; Zhang, Lu; Xu, Xiaohui; Zhao, Yifang; Zhuang, Lin; Fan, Jun; Sun, Junliang; Zhuo, Ren-Xi; Zhang, Xian-Zheng","Stomata-like metal peptide coordination polymer","Journal of Materials Chemistry A","2017","5","45","23440","","10.1039/C7TA08002F","","","0.7107","MoKα","","0.1317","0.1119","","","0.27","0.2811","","","","","","1.067","","","","has coordinates","236391","2020-10-21","18:00:00",""
"7236658","28.99097","0.00007","28.99097","0.00007","16.7159","0.00011","90","","90","","90","","14049.3","0.1","100","0.3","100","0.3","","","","","","","","6","I 41/a c d :2","-I 4bd 2c","142","","","","- C24 H12 Cu In N4 O8 -","- C24 H12 Cu In N4 O8 -","- C384 H192 Cu16 In16 N64 O128 -","16","0.5","","Tan, Yan-Xi; Si, Yanan; Wang, Wenjing; Yuan, Daqiang","Tetrahedral crosslinking of dia-type nets into a zeolitic GIS-type framework for optimizing stability and gas sorption","Journal of Materials Chemistry A","2017","5","44","23276","","10.1039/C7TA08288F","","","1.54184","CuKα","","0.0463","0.0452","","","0.1093","0.1099","","","","","","1.18","","","","has coordinates","236393","2020-10-21","18:00:00",""
"7236683","6.7463","0.0004","21.3406","0.0011","7.0237","0.0005","90","","103.448","0.006","90","","983.48","0.11","100","0.1","100","0.1","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C11 H9 N O3 S -","- C11 H9 N O3 S -","- C44 H36 N4 O12 S4 -","4","1","","Debnath, Mintu; Sasmal, Supriya; Haldar, Debasish","Fabrication of egg shell-like nanovesicles from a thiocoumarin-based ε-amino ester: a potential carrier","Journal of Materials Chemistry B","2017","5","27","5450","","10.1039/C7TB00025A","","x-ray","0.71073","MoKα","","0.0577","0.0495","","","0.1258","0.132","","","","","","1.105","","","","has coordinates","288178","2023-12-08","09:51:08",""
"7236684","14.468","0.004","13.931","0.004","22.74","0.007","90","","90","","90","","4583","2","296","2","296","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C18 H20 Cd I2 N8 -","- C18 H20 Cd I2 N8 -","- C144 H160 Cd8 I16 N64 -","8","1","","Cheng, Yue; Wu, Jie; Guo, Chao; Li, Xin-Ge; Ding, Bin; Li, Yan","A facile water-stable MOF-based “off‒on” fluorescent switch for label-free detection of dopamine in biological fluid","Journal of Materials Chemistry B","2017","5","13","2524","","10.1039/C7TB00099E","","","0.71073","MoKα","","0.0229","0.0177","","","0.0368","0.0392","","","","","","1.07","","","","has coordinates","236423","2020-10-21","18:00:00",""
"7236685","34.0369","0.0015","9.7317","0.0004","22.916","0.0008","90","","90.574","0.003","90","","7590.2","0.5","99.95","0.18","99.95","0.18","","","","","","","","4","I 1 2/a 1","-I 2ya","15","","","","- C88 H98 N4 O3 -","- C88 H74 N4 O3 -","- C352 H296 N16 O12 -","4","0.5","","Zhao, Zheng; Su, Huifang; Zhang, Pengfei; Cai, Yuanjing; Kwok, Ryan T. K.; Chen, Yuncong; He, Zikai; Gu, Xinggui; He, Xuewen; Sung, Herman H. Y.; Willimas, Ian D.; Lam, Jacky W. Y.; Zhang, Zhenfeng; Tang, Ben Zhong","Polyyne bridged AIE luminogens with red emission: design, synthesis, properties and applications","Journal of Materials Chemistry B","2017","5","8","1650","","10.1039/C7TB00112F","","x-ray","0.71073","MoKα","","0.1168","0.0742","","","0.1722","0.1941","","","","","","1.001","","","","has coordinates,has disorder","236424","2020-10-21","18:00:00",""
"7236686","22.854","0.003","9.0152","0.0013","13.197","0.002","90","","96.266","0.003","90","","2702.8","0.7","296","2","296","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C33 H24 N4 O3 -","- C33 H24 N4 O3 -","- C132 H96 N16 O12 -","4","1","","Han, Xie; Zhang, Bibo; Chen, Jianhua; Liu, Sheng Hua; Tan, Chunyan; Liu, Haiyang; Lang, Matthew J.; Tan, Ying; Liu, Xiaogang; Yin, Jun","Modulating aggregation-induced emission via a non-conjugated linkage of fluorophores to tetraphenylethenes","Journal of Materials Chemistry B","2017","5","26","5096","","10.1039/C7TB00623C","","","0.71073","MoKα","","0.107","0.0476","","","0.1157","0.1533","","","","","","1.038","","","","has coordinates","236426","2020-10-21","18:00:00",""
"7236687","9.805","0.005","39.34","0.02","9.106","0.005","90","","115.444","0.008","90","","3172","3","296","2","296","2","","","","","","","","5","C 1 c 1","C -2yc","9","","","","- C39 H34 N2 O2 S -","- C39 H34 N2 O2 S -","- C156 H136 N8 O8 S4 -","4","1","","Han, Xie; Zhang, Bibo; Chen, Jianhua; Liu, Sheng Hua; Tan, Chunyan; Liu, Haiyang; Lang, Matthew J.; Tan, Ying; Liu, Xiaogang; Yin, Jun","Modulating aggregation-induced emission via a non-conjugated linkage of fluorophores to tetraphenylethenes","Journal of Materials Chemistry B","2017","5","26","5096","","10.1039/C7TB00623C","","","0.71073","MoKα","","0.1189","0.0608","","","0.1325","0.1594","","","","","","0.998","","","","has coordinates,has disorder","236426","2020-10-21","18:00:00",""
"7236688","7.2991","0.0012","18.472","0.003","12.541","0.002","90","","90","","90","","1690.9","0.5","296","2","296","2","","","","","","","","4","C m c 21","C 2c -2","36","","","","- C18 H19 I N2 -","- C18 H19 I N2 -","- C72 H76 I4 N8 -","4","0.5","","Zhu, Yingzhong; Du, Wei; Zhang, Mingzhu; Xu, Ying; Song, Leilei; Zhang, Qiong; Tian, Xiaohe; Zhou, Hongping; Wu, Jieying; Tian, Yupeng","A series of water-soluble A‒π‒A′ typological indolium derivatives with two-photon properties for rapidly detecting HSO3−/SO32−in living cells","Journal of Materials Chemistry B","2017","5","21","3862","","10.1039/C7TB00726D","","","0.71073","MoKα","","0.021","0.0188","","","0.0418","0.043","","","","","","1.061","","","","has coordinates","236428","2020-10-21","18:00:00",""
"7236689","12.632","0.005","6.968","0.005","24.753","0.005","90","0.005","96.016","0.005","90","0.005","2166.8","1.8","298","2","298","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C22 H23 I2 N2 O -","- C22 H23 I2 N2 O -","- C88 H92 I8 N8 O4 -","4","1","","Zhu, Yingzhong; Du, Wei; Zhang, Mingzhu; Xu, Ying; Song, Leilei; Zhang, Qiong; Tian, Xiaohe; Zhou, Hongping; Wu, Jieying; Tian, Yupeng","A series of water-soluble A‒π‒A′ typological indolium derivatives with two-photon properties for rapidly detecting HSO3−/SO32−in living cells","Journal of Materials Chemistry B","2017","5","21","3862","","10.1039/C7TB00726D","","","0.71069","MoKα","","0.0304","0.0289","","","0.0846","0.087","","","","","","1.047","","","","has coordinates","236428","2020-10-21","18:00:00",""
"7236690","9.6327","0.0004","9.823","0.0004","23.0384","0.0009","83.222","0.001","79.915","0.001","79.361","0.001","2101.08","0.15","120","2","120","2","","","","","","","","6","P -1","-P 1","2","","","","- C48 H29 F10 Ir N5 P -","- C48 H29 F10 Ir N5 P -","- C96 H58 F20 Ir2 N10 P2 -","2","1","","Qiu, Kangqiang; Ouyang, Miao; Liu, Yukang; Huang, Huaiyi; Liu, Chaofeng; Chen, Yu; Ji, Liangnian; Chao, Hui","Two-photon photodynamic ablation of tumor cells by mitochondria-targeted iridium(iii) complexes in aggregate states","Journal of Materials Chemistry B","2017","5","27","5488","","10.1039/C7TB00731K","","","0.71073","MoKα","","0.0382","0.0301","","","0.0515","0.0533","","","","","","1.06","","","","has coordinates","236430","2020-10-21","18:00:00",""
"7236691","9.6803","0.0005","10.024","0.0005","22.948","0.0013","90.034","0.002","100.758","0.002","101.52","0.002","2141.9","0.2","120","2","120","2","","","","","","","","6","P -1","-P 1","2","","","","- C48 H33 F6 Ir N5 P -","- C48 H33 F6 Ir N5 P -","- C96 H66 F12 Ir2 N10 P2 -","2","1","","Qiu, Kangqiang; Ouyang, Miao; Liu, Yukang; Huang, Huaiyi; Liu, Chaofeng; Chen, Yu; Ji, Liangnian; Chao, Hui","Two-photon photodynamic ablation of tumor cells by mitochondria-targeted iridium(iii) complexes in aggregate states","Journal of Materials Chemistry B","2017","5","27","5488","","10.1039/C7TB00731K","","","0.71073","MoKα","","0.0292","0.0238","","","0.048","0.0493","","","","","","1.053","","","","has coordinates","236430","2020-10-21","18:00:00",""
"7236692","14.289","0.005","14.212","0.005","17.032","0.005","90","0.005","109.537","0.005","90","0.005","3259.6","1.9","298","2","298","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C37 H32 Cl2 N4 O2 Zn -","- C37 H32 Cl2 N4 O2 Zn -","- C148 H128 Cl8 N16 O8 Zn4 -","4","1","","Tang, Yiwen; Kong, Ming; Tian, Xiaohe; Wang, Jinghang; Xie, Qingyuan; Wang, Aidong; Zhang, Qiong; Zhou, Hongping; Wu, Jieying; Tian, Yupeng","A series of terpyridine-based zinc(ii) complexes assembled for third-order nonlinear optical responses in the near-infrared region and recognizing lipid membranes","Journal of Materials Chemistry B","2017","5","31","6348","","10.1039/C7TB01063J","","","0.71069","MoKα","","0.0388","0.0303","","","0.0741","0.0786","","","","","","1.052","","","","has coordinates","236432","2020-10-21","18:00:00",""
"7236693","14.164","0.005","14.345","0.005","17.368","0.005","90","0.005","108.597","0.005","90","0.005","3344.6","1.9","298","2","298","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C37 H32 Br2 N4 O2 Zn -","- C37 H32 Br2 N4 O2 Zn -","- C148 H128 Br8 N16 O8 Zn4 -","4","1","","Tang, Yiwen; Kong, Ming; Tian, Xiaohe; Wang, Jinghang; Xie, Qingyuan; Wang, Aidong; Zhang, Qiong; Zhou, Hongping; Wu, Jieying; Tian, Yupeng","A series of terpyridine-based zinc(ii) complexes assembled for third-order nonlinear optical responses in the near-infrared region and recognizing lipid membranes","Journal of Materials Chemistry B","2017","5","31","6348","","10.1039/C7TB01063J","","","0.71069","MoKα","","0.0748","0.0387","","","0.0696","0.0809","","","","","","1.015","","","","has coordinates","236432","2020-10-21","18:00:00",""
"7236694","14.12","0.005","14.552","0.005","17.692","0.005","90","0.005","107.286","0.005","90","0.005","3471","2","298","2","298","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C37 H32 I2 N4 O2 Zn -","- C37 H32 I2 N4 O2 Zn -","- C148 H128 I8 N16 O8 Zn4 -","4","1","","Tang, Yiwen; Kong, Ming; Tian, Xiaohe; Wang, Jinghang; Xie, Qingyuan; Wang, Aidong; Zhang, Qiong; Zhou, Hongping; Wu, Jieying; Tian, Yupeng","A series of terpyridine-based zinc(ii) complexes assembled for third-order nonlinear optical responses in the near-infrared region and recognizing lipid membranes","Journal of Materials Chemistry B","2017","5","31","6348","","10.1039/C7TB01063J","","","0.71069","MoKα","","0.0476","0.0366","","","0.1287","0.1402","","","","","","1.068","","","","has coordinates","236432","2020-10-21","18:00:00",""
"7236695","9.9937","0.0002","9.9937","0.0002","64.144","0.004","90","","90","","90","","6406.3","0.4","298","2","298","2","","","","","","","","4","P 43 21 2","P 4nw 2abw","96","","","","- C56 H86 N8 O14 -","- C56 H86 N8 O14 -","- C224 H344 N32 O56 -","4","0.5","","Podder, Debasish; Bera, Santu; Debnath, Mintu; Das, Tanmay; Haldar, Debasish","Formation of toroids by self-assembly of an α‒α corner mimetic: supramolecular cyclization","Journal of Materials Chemistry B","2017","5","36","7583","","10.1039/C7TB01711A","","x-ray","0.71073","MoKα","","0.0873","0.066","","","0.1601","0.1727","","","","","","1.091","","","","has coordinates","236434","2020-10-21","18:00:00",""
"7236696","13.4121","0.0018","9.7801","0.0012","20.066","0.003","90","","108.949","0.014","90","","2489.5","0.6","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","TPE-HBT","","- C33 H23 N O S -","- C33 H23 N O S -","- C132 H92 N4 O4 S4 -","4","1","","Chen, Qing; Jia, Chunman; Zhang, Yinfeng; Du, Wei; Wang, Yile; Huang, Yan; Yang, Qiuyun; Zhang, Qi","A novel fluorophore based on the coupling of AIE and ESIPT mechanisms and its application in biothiol imaging","Journal of Materials Chemistry B","2017","5","37","7736","","10.1039/C7TB02076G","","","0.7107","MoKα","","0.1174","0.0599","","","0.1284","0.1655","","","","","","1.028","","","","has coordinates","236436","2020-10-21","18:00:00",""
"7236697","13.1267","0.0004","3.8689","0.0001","12.781","0.0004","90","","93.945","0.001","90","","647.56","0.03","100","2","100","2","","","","","","","","3","P 1 c 1","P -2yc","7","","","","- C17 H12 O4 -","- C17 H12 O4 -","- C34 H24 O8 -","2","1","","Ji, Wei; Li, Lingling; Eniola-Adefeso, Omolola; Wang, Yaming; Liu, Chuntai; Feng, Chuanliang","Non-invasively visualizing cell‒matrix interactions in two-photon excited supramolecular hydrogels","J. Mater. Chem. B","2017","5","38","7790","","10.1039/C7TB02274C","","","1.54178","CuKα","","0.0372","0.0371","","","0.1055","0.1057","","","","","","1.069","","","","has coordinates","236439","2020-10-21","18:00:00",""
"7236698","6.649","0.0005","28.779","0.002","7.22","0.0006","90","","115.909","0.003","90","","1242.7","0.17","298","2","298","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C16 H10 O4 -","- C16 H10 O4 -","- C64 H40 O16 -","4","1","","Ji, Wei; Li, Lingling; Eniola-Adefeso, Omolola; Wang, Yaming; Liu, Chuntai; Feng, Chuanliang","Non-invasively visualizing cell‒matrix interactions in two-photon excited supramolecular hydrogels","J. Mater. Chem. B","2017","5","38","7790","","10.1039/C7TB02274C","","","1.54178","CuKα","","0.0423","0.0355","","","0.1046","0.111","","","","","","1.05","","","","has coordinates","236439","2020-10-21","18:00:00",""
"7236700","3.7327","0.0004","11.2986","0.001","12.356","0.0013","75.176","0.006","87.062","0.007","81.316","0.006","497.94","0.09","100","","100","","","","","","","","","3","P -1","-P 1","2","","","","- C26 H10 N4 -","- C26 H10 N4 -","- C26 H10 N4 -","1","0.5","","Glöcklhofer, Florian; Petritz, Andreas; Karner, Esther; Bojdys, Michael J.; Stadlober, Barbara; Fröhlich, Johannes; Unterlass, Miriam M.","Dicyano- and tetracyanopentacene: foundation of an intriguing new class of easy-to-synthesize organic semiconductors.","Journal of materials chemistry. C","2017","5","10","2603","2610","10.1039/c7tc00143f","","x-ray","0.71073","MoKα","","0.0865","0.045","","","0.0508","0.0545","","","","2.24","2.24","1.72","","","","has coordinates","236445","2020-10-21","18:00:00",""
"7236701","7.5291","0.0015","9.914","0.002","17.893","0.004","81.02","0.03","83.55","0.03","75.21","0.03","1271.8","0.5","113","2","113","2","","","","","","","","3","P -1","-P 1","2","","","","- C32 H28 O6 -","- C32 H28 O6 -","- C64 H56 O12 -","2","1","","Li, Mengwei; Wang, Yi-Xuan; Wang, Jianhui; Chen, Yulan","(Z)-Tetraphenylbut-2-ene-1,4-diones: facile synthesis, tunable aggregation-induced emission and fluorescence acid sensing","Journal of Materials Chemistry C","2017","5","13","3408","","10.1039/C7TC00173H","","","0.71073","MoKα","","0.0659","0.0378","","","0.0788","0.0855","","","","","","1.072","","","","has coordinates","236447","2020-10-21","18:00:00",""
"7236702","9.7157","0.0001","23.9775","0.0004","16.191","0.0002","90","","90","","90","","3771.83","0.09","100","2","100","2","","","","","","","","6","P n a 21","P 2c -2n","33","","","","- C76 H82 B20 Ir2 N6 O -","- C76 H82 B20 Ir2 N6 O -","- C152 H164 B40 Ir4 N12 O2 -","2","0.5","","Van Nghia, Nguyen; Park, Sunghee; An, Youngjoon; Lee, Junseong; Jung, Jaehoon; Yoo, Seunghyup; Lee, Min Hyung","Impact of the number of o-carboranyl ligands on the photophysical and electroluminescent properties of iridium(iii) cyclometalates","Journal of Materials Chemistry C","2017","5","12","3024","","10.1039/C7TC00247E","","","0.71073","MoKα","","0.0483","0.0369","","","0.0544","0.0569","","","","","","1.089","","","","has coordinates,has disorder","236450","2020-10-21","18:00:00",""
"7236703","13.8079","0.001","12.4815","0.0009","27.3661","0.0019","90","","104.52","0.001","90","","4565.7","0.6","100","2","100","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C39 H48 B20 Ir N3 -","- C39 H48 B20 Ir N3 -","- C156 H192 B80 Ir4 N12 -","4","1","","Van Nghia, Nguyen; Park, Sunghee; An, Youngjoon; Lee, Junseong; Jung, Jaehoon; Yoo, Seunghyup; Lee, Min Hyung","Impact of the number of o-carboranyl ligands on the photophysical and electroluminescent properties of iridium(iii) cyclometalates","Journal of Materials Chemistry C","2017","5","12","3024","","10.1039/C7TC00247E","","","0.71073","MoKα","","0.0294","0.0258","","","0.0673","0.0698","","","","","","1.031","","","","has coordinates","236450","2020-10-21","18:00:00",""
"7236704","16.4471","0.0003","13.8499","0.0002","26.5812","0.0004","90","","92.965","0.001","90","","6046.84","0.17","100","2","100","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C87 H130 B60 Cl2 Ir2 N6 O2 -","- C87 H130 B60 Cl2 Ir2 N6 O2 -","- C174 H260 B120 Cl4 Ir4 N12 O4 -","2","0.5","","Van Nghia, Nguyen; Park, Sunghee; An, Youngjoon; Lee, Junseong; Jung, Jaehoon; Yoo, Seunghyup; Lee, Min Hyung","Impact of the number of o-carboranyl ligands on the photophysical and electroluminescent properties of iridium(iii) cyclometalates","Journal of Materials Chemistry C","2017","5","12","3024","","10.1039/C7TC00247E","","","0.71073","MoKα","","0.0364","0.0264","","","0.0661","0.07","","","","","","1.059","","","","has coordinates,has disorder","236450","2020-10-21","18:00:00",""
"7236705","6.251","0.003","20.123","0.008","21.102","0.009","90","","93.575","0.013","90","","2649","2","100","2","100","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C62 H62 N2 O4 S4 -","- C62 H48 N2 O4 S4 -","- C124 H96 N4 O8 S8 -","2","0.5","","Li, Xiangchun; Wang, Hengbin; Schneider, Julia A.; Wei, Zitang; Lai, Wen-Yong; Huang, Wei; Wudl, Fred; Zheng, Yonghao","Catalyst-free one-step synthesis of ortho-tetraaryl perylene diimides for efficient OPV non-fullerene acceptors","Journal of Materials Chemistry C","2017","5","11","2781","","10.1039/C7TC00263G","","","0.71073","MoKα","","0.2448","0.0935","","","0.2069","0.281","","","","","","0.99","","","","has coordinates,has disorder","236452","2020-10-21","18:00:00",""
"7236706","12.158","0.006","14.546","0.007","20.965","0.01","91.262","0.013","104.023","0.012","104.588","0.01","3468","3","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","","","- C83 H96 Cl2 N2 O4 -","- C83 H96 Cl2 N2 O4 -","- C166 H192 Cl4 N4 O8 -","2","1","","Li, Xiangchun; Wang, Hengbin; Schneider, Julia A.; Wei, Zitang; Lai, Wen-Yong; Huang, Wei; Wudl, Fred; Zheng, Yonghao","Catalyst-free one-step synthesis of ortho-tetraaryl perylene diimides for efficient OPV non-fullerene acceptors","Journal of Materials Chemistry C","2017","5","11","2781","","10.1039/C7TC00263G","","","0.71073","MoKα","","0.3513","0.143","","","0.3379","0.4471","","","","","","1.018","","","","has coordinates","236452","2020-10-21","18:00:00",""
"7236707","9.7023","0.0013","19.694","0.003","13.7791","0.0018","90","","101.907","0.01","90","","2576.2","0.6","296","2","296","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C30 H28 N4 O3 -","- C30 H28 N4 O3 -","- C120 H112 N16 O12 -","4","1","","Poronik, Yevgen M.; Mazur, Leszek M.; Samoć, Marek; Jacquemin, Denis; Gryko, Daniel T.","2,5-Bis(azulenyl)pyrrolo[3,2-b]pyrroles ‒ the key influence of the linkage position on the linear and nonlinear optical properties","Journal of Materials Chemistry C","2017","5","10","2620","","10.1039/C7TC00276A","","","1.54178","CuKα","","0.2134","0.0975","","","0.1746","0.2158","","","","","","0.989","","","","has coordinates","236454","2020-10-21","18:00:00",""
"7236708","10.6818","0.0003","15.6189","0.0004","16.5803","0.0005","75.165","0.003","76.833","0.003","72.093","0.003","2510.85","0.13","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C60 H144 Br18 Cd3 N12 -","- C60 H144 Br18 Cd3 N12 -","- C60 H144 Br18 Cd3 N12 -","1","0.5","","Wang, Sasa; Li, Lina; Sun, Zhihua; Ji, Chengmin; Liu, Sijie; Wu, Zhenyue; Zhao, Sangen; Zeb, Aurang; Hong, Maochun; Luo, Junhua","A semi-conductive organic‒inorganic hybrid emits pure white light with an ultrahigh color rendering index","Journal of Materials Chemistry C","2017","5","19","4731","","10.1039/C7TC00279C","","","0.71073","MoKα","","0.0751","0.0452","","","0.1275","0.1492","","","","","","0.94","","","","has coordinates","236456","2020-10-21","18:00:00",""
"7236709","8.23564","0.00015","4.76654","0.00009","14.1245","0.0003","90","","96.7481","0.0007","90","","550.623","0.019","171","","171","","","","","","","","","5","P 1 21/n 1","-P 2yn","14","TIIG","Thienoisoindigo","","- C12 H6 N2 O2 S2 -","- C12 H6 N2 O2 S2 -","- C24 H12 N4 O4 S4 -","2","0.5","","Yoo, Dongho; Hasegawa, Tsukasa; Ashizawa, Minoru; Kawamoto, Tadashi; Masunaga, Hiroyasu; Hikima, Takaaki; Matsumoto, Hidetoshi; Mori, Takehiko","N-Unsubstituted thienoisoindigos: preparation, molecular packing and ambipolar organic field-effect transistors","Journal of Materials Chemistry C","2017","5","10","2509","","10.1039/C7TC00327G","","","1.54187","CuKα","","","0.0347","","","","0.0906","","","","","","1.118","","","","has coordinates","236458","2020-10-21","18:00:00",""
"7236710","7.88168","0.0001","7.13603","0.0001","35.6666","0.0009","90","","90","","90","","2006.03","0.06","274","","274","","","","","","","","","5","P b c a","-P 2ac 2ab","61","dph-TIIG","Diphenylthienoisoindigo","","- C24 H14 N2 O2 S2 -","- C24 H14 N2 O2 S2 -","- C96 H56 N8 O8 S8 -","4","0.5","","Yoo, Dongho; Hasegawa, Tsukasa; Ashizawa, Minoru; Kawamoto, Tadashi; Masunaga, Hiroyasu; Hikima, Takaaki; Matsumoto, Hidetoshi; Mori, Takehiko","N-Unsubstituted thienoisoindigos: preparation, molecular packing and ambipolar organic field-effect transistors","Journal of Materials Chemistry C","2017","5","10","2509","","10.1039/C7TC00327G","","","1.54187","CuKα","","","0.0651","","","","0.1838","","","","","","1.023","","","","has coordinates","236458","2020-10-21","18:00:00",""
"7236711","4.99713","0.00013","10.7672","0.0003","14.6977","0.0004","102.009","0.0017","92.7147","0.0016","101.117","0.0016","755.83","0.04","171","","171","","","","","","","","","5","P -1","-P 1","2","N-hexyl dph-TIIG","N,N-Dihexyl diphenylthienoisoindigo","","- C36 H38 N2 O2 S2 -","- C36 H38 N2 O2 S2 -","- C36 H38 N2 O2 S2 -","1","0.5","","Yoo, Dongho; Hasegawa, Tsukasa; Ashizawa, Minoru; Kawamoto, Tadashi; Masunaga, Hiroyasu; Hikima, Takaaki; Matsumoto, Hidetoshi; Mori, Takehiko","N-Unsubstituted thienoisoindigos: preparation, molecular packing and ambipolar organic field-effect transistors","Journal of Materials Chemistry C","2017","5","10","2509","","10.1039/C7TC00327G","","","1.54187","CuKα","","","0.0714","","","","0.2364","","","","","","1.052","","","","has coordinates","236458","2020-10-21","18:00:00",""
"7236712","12.6583","0.0006","20.5922","0.001","21.1398","0.001","90","","95.517","0.001","90","","5484.8","0.5","296","2","296","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C64 H38 F8 Ir N5 O2 P2 -","- C64 H38 F8 Ir N5 O2 P2 -","- C256 H152 F32 Ir4 N20 O8 P8 -","4","1","","Jing, Yi-Ming; Wang, Fang-Zhou; Zheng, You-Xuan; Zuo, Jing-Lin","Efficient deep red electroluminescence of iridium(iii) complexes with 2,3-diphenylquinoxaline derivatives and tetraphenylimidodiphosphinate","Journal of Materials Chemistry C","2017","5","15","3714","","10.1039/C7TC00348J","","","0.71073","MoKα","","0.0509","0.0307","","","0.0621","0.0775","","","","","","1.011","","","","has coordinates","236460","2020-10-21","18:00:00",""
"7236713","10.927","0.002","15.47","0.003","16.813","0.003","80.513","0.004","72.599","0.004","82.996","0.004","2666.9","0.9","296","2","296","2","","","","","","","","7","P -1","-P 1","2","","","","- C64 H42 F4 Ir N5 O2 P2 -","- C64 H42 F4 Ir N5 O2 P2 -","- C128 H84 F8 Ir2 N10 O4 P4 -","2","1","","Jing, Yi-Ming; Wang, Fang-Zhou; Zheng, You-Xuan; Zuo, Jing-Lin","Efficient deep red electroluminescence of iridium(iii) complexes with 2,3-diphenylquinoxaline derivatives and tetraphenylimidodiphosphinate","Journal of Materials Chemistry C","2017","5","15","3714","","10.1039/C7TC00348J","","","0.71073","MoKα","","0.1285","0.0686","","","0.1718","0.2101","","","","","","1.032","","","","has coordinates,has disorder","236460","2020-10-21","18:00:00",""
"7236714","15.0722","0.0014","15.1646","0.0014","23.699","0.002","90","","92.214","0.002","90","","5412.7","0.8","296","2","296","2","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C64 H42 F4 Ir N5 O2 P2 -","- C64 H42 F4 Ir N5 O2 P2 -","- C256 H168 F16 Ir4 N20 O8 P8 -","4","1","","Jing, Yi-Ming; Wang, Fang-Zhou; Zheng, You-Xuan; Zuo, Jing-Lin","Efficient deep red electroluminescence of iridium(iii) complexes with 2,3-diphenylquinoxaline derivatives and tetraphenylimidodiphosphinate","Journal of Materials Chemistry C","2017","5","15","3714","","10.1039/C7TC00348J","","","0.71073","MoKα","","0.0421","0.0319","","","0.0805","0.086","","","","","","1.046","","","","has coordinates","236460","2020-10-21","18:00:00",""
"7236715","5.0293","0.0011","9.305","0.002","14.42","0.003","78.51","0.005","87.882","0.005","83.349","0.004","656.8","0.2","293","2","293","2","","","","","","","","3","P -1","-P 1","2","","","","- C16 H14 O4 -","- C16 H14 O4 -","- C32 H28 O8 -","2","1","","Lei, Yunxiang; Zhou, Yibin; Qian, Lebin; Wang, Yuxiang; Liu, Miaochang; Huang, Xiaobo; Wu, Ge; Wu, Huayue; Ding, Jinchang; Cheng, Yixiang","Polymorphism and mechanochromism of N-alkylated 1,4-dihydropyridine derivatives containing different electron-withdrawing end groups","Journal of Materials Chemistry C","2017","5","21","5183","","10.1039/C7TC00362E","","","0.71073","MoKα","","0.0679","0.0544","","","0.135","0.1447","","","","","","1.088","","","","has coordinates","236462","2020-10-21","18:00:00",""
"7236716","8.252","0.006","8.626","0.006","15.276","0.01","96.785","0.014","98.511","0.013","117.108","0.013","935.8","1.1","298","2","298","2","","","","","","","","5","P -1","-P 1","2","","","","- C19 H27 N3 O2 S -","- C19 H27 N3 O2 S -","- C38 H54 N6 O4 S2 -","2","1","","Lei, Yunxiang; Zhou, Yibin; Qian, Lebin; Wang, Yuxiang; Liu, Miaochang; Huang, Xiaobo; Wu, Ge; Wu, Huayue; Ding, Jinchang; Cheng, Yixiang","Polymorphism and mechanochromism of N-alkylated 1,4-dihydropyridine derivatives containing different electron-withdrawing end groups","Journal of Materials Chemistry C","2017","5","21","5183","","10.1039/C7TC00362E","","","0.71073","MoKα","","0.0678","0.0443","","","0.1278","0.1399","","","","","","1.052","","","","has coordinates","236462","2020-10-21","18:00:00",""
"7236717","7.1417","0.0009","7.854","0.001","8.9569","0.0011","72.724","0.002","74.137","0.002","68.176","0.002","437.76","0.1","133","2","133","2","","","","","","","","4","P -1","-P 1","2","","","","- C10 H8 N2 O -","- C10 H8 N2 O -","- C20 H16 N4 O2 -","2","1","","Lei, Yunxiang; Zhou, Yibin; Qian, Lebin; Wang, Yuxiang; Liu, Miaochang; Huang, Xiaobo; Wu, Ge; Wu, Huayue; Ding, Jinchang; Cheng, Yixiang","Polymorphism and mechanochromism of N-alkylated 1,4-dihydropyridine derivatives containing different electron-withdrawing end groups","Journal of Materials Chemistry C","2017","5","21","5183","","10.1039/C7TC00362E","","","0.71073","MoKα","","0.0362","0.032","","","0.085","0.0888","","","","","","1.036","","","","has coordinates","236462","2020-10-21","18:00:00",""
"7236718","7.6023","0.0008","9.0012","0.001","9.9056","0.0011","79.04","0.002","84.018","0.002","80.824","0.002","655.05","0.12","298","2","298","2","","","","","","","","3","P -1","-P 1","2","","","","- C14 H17 N3 -","- C14 H17 N3 -","- C28 H34 N6 -","2","1","","Lei, Yunxiang; Zhou, Yibin; Qian, Lebin; Wang, Yuxiang; Liu, Miaochang; Huang, Xiaobo; Wu, Ge; Wu, Huayue; Ding, Jinchang; Cheng, Yixiang","Polymorphism and mechanochromism of N-alkylated 1,4-dihydropyridine derivatives containing different electron-withdrawing end groups","Journal of Materials Chemistry C","2017","5","21","5183","","10.1039/C7TC00362E","","","0.71073","MoKα","","0.0369","0.0345","","","0.1041","0.107","","","","","","1.067","","","","has coordinates","236462","2020-10-21","18:00:00",""
"7236719","9.3267","0.0014","14.003","0.002","14.7925","0.0018","90","","120.492","0.007","90","","1664.7","0.4","298","2","298","2","","","","","","","","3","P 1 c 1","P -2yc","7","","","","- C18 H25 N3 -","- C18 H25 N3 -","- C72 H100 N12 -","4","2","","Lei, Yunxiang; Zhou, Yibin; Qian, Lebin; Wang, Yuxiang; Liu, Miaochang; Huang, Xiaobo; Wu, Ge; Wu, Huayue; Ding, Jinchang; Cheng, Yixiang","Polymorphism and mechanochromism of N-alkylated 1,4-dihydropyridine derivatives containing different electron-withdrawing end groups","Journal of Materials Chemistry C","2017","5","21","5183","","10.1039/C7TC00362E","","","0.71073","MoKα","","0.0409","0.0371","","","0.1018","0.1046","","","","","","1.079","","","","has coordinates","236462","2020-10-21","18:00:00",""
"7236720","10.9669","0.0013","14.1993","0.0016","12.5425","0.0015","90","","115.925","0.002","90","","1756.6","0.4","293","2","293","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C17 H25 N3 O3 S -","- C17 H25 N3 O3 S -","- C68 H100 N12 O12 S4 -","4","1","","Lei, Yunxiang; Zhou, Yibin; Qian, Lebin; Wang, Yuxiang; Liu, Miaochang; Huang, Xiaobo; Wu, Ge; Wu, Huayue; Ding, Jinchang; Cheng, Yixiang","Polymorphism and mechanochromism of N-alkylated 1,4-dihydropyridine derivatives containing different electron-withdrawing end groups","Journal of Materials Chemistry C","2017","5","21","5183","","10.1039/C7TC00362E","","","0.71073","MoKα","","0.0619","0.0516","","","0.144","0.1532","","","","","","1.023","","","","has coordinates","236462","2020-10-21","18:00:00",""
"7236721","7.932","0.004","8.098","0.005","12.503","0.007","100.451","0.011","99.409","0.011","99.622","0.012","763","0.7","100","2","100","2","","","","","","","","4","P -1","-P 1","2","","","","- C16 H22 N2 O2 -","- C16 H22 N2 O2 -","- C32 H44 N4 O4 -","2","1","","Lei, Yunxiang; Zhou, Yibin; Qian, Lebin; Wang, Yuxiang; Liu, Miaochang; Huang, Xiaobo; Wu, Ge; Wu, Huayue; Ding, Jinchang; Cheng, Yixiang","Polymorphism and mechanochromism of N-alkylated 1,4-dihydropyridine derivatives containing different electron-withdrawing end groups","Journal of Materials Chemistry C","2017","5","21","5183","","10.1039/C7TC00362E","","","0.71073","MoKα","","0.1044","0.0645","","","0.1804","0.2331","","","","","","1.107","","","","has coordinates","236462","2020-10-21","18:00:00",""
"7236722","10.9827","0.0013","14.2402","0.0017","12.5749","0.0011","90","","115.917","0.008","90","","1768.9","0.4","298","2","298","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C17 H25 N3 O3 S -","- C17 H25 N3 O3 S -","- C68 H100 N12 O12 S4 -","4","1","","Lei, Yunxiang; Zhou, Yibin; Qian, Lebin; Wang, Yuxiang; Liu, Miaochang; Huang, Xiaobo; Wu, Ge; Wu, Huayue; Ding, Jinchang; Cheng, Yixiang","Polymorphism and mechanochromism of N-alkylated 1,4-dihydropyridine derivatives containing different electron-withdrawing end groups","Journal of Materials Chemistry C","2017","5","21","5183","","10.1039/C7TC00362E","","","0.71073","MoKα","","0.0508","0.0444","","","0.1379","0.1436","","","","","","1.072","","","","has coordinates","236462","2020-10-21","18:00:00",""
"7236723","16.414","0.004","5.0946","0.0012","17.538","0.004","90","","92.146","0.004","90","","1465.5","0.6","133","2","133","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C15 H18 N2 O3 S -","- C15 H18 N2 O3 S -","- C60 H72 N8 O12 S4 -","4","1","","Lei, Yunxiang; Zhou, Yibin; Qian, Lebin; Wang, Yuxiang; Liu, Miaochang; Huang, Xiaobo; Wu, Ge; Wu, Huayue; Ding, Jinchang; Cheng, Yixiang","Polymorphism and mechanochromism of N-alkylated 1,4-dihydropyridine derivatives containing different electron-withdrawing end groups","Journal of Materials Chemistry C","2017","5","21","5183","","10.1039/C7TC00362E","","","0.71073","MoKα","","0.0551","0.0393","","","0.0961","0.1076","","","","","","0.98","","","","has coordinates","236462","2020-10-21","18:00:00",""
"7236724","8.914","0.002","13.304","0.003","12.052","0.003","90","","101.441","0.004","90","","1400.9","0.6","293","2","293","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C18 H17 N O2 -","- C18 H17 N O2 -","- C72 H68 N4 O8 -","4","1","","Lei, Yunxiang; Zhou, Yibin; Qian, Lebin; Wang, Yuxiang; Liu, Miaochang; Huang, Xiaobo; Wu, Ge; Wu, Huayue; Ding, Jinchang; Cheng, Yixiang","Polymorphism and mechanochromism of N-alkylated 1,4-dihydropyridine derivatives containing different electron-withdrawing end groups","Journal of Materials Chemistry C","2017","5","21","5183","","10.1039/C7TC00362E","","","0.71073","MoKα","","0.0725","0.0465","","","0.1067","0.1174","","","","","","1.031","","","","has coordinates","236462","2020-10-21","18:00:00",""
"7236725","6.9599","0.0007","7.5636","0.0008","10.3122","0.001","98.43","0.002","92.196","0.002","103.452","0.002","520.77","0.09","298","2","298","2","","","","","","","","3","P -1","-P 1","2","","","","- C12 H13 N3 -","- C12 H13 N3 -","- C24 H26 N6 -","2","1","","Lei, Yunxiang; Zhou, Yibin; Qian, Lebin; Wang, Yuxiang; Liu, Miaochang; Huang, Xiaobo; Wu, Ge; Wu, Huayue; Ding, Jinchang; Cheng, Yixiang","Polymorphism and mechanochromism of N-alkylated 1,4-dihydropyridine derivatives containing different electron-withdrawing end groups","Journal of Materials Chemistry C","2017","5","21","5183","","10.1039/C7TC00362E","","","0.71073","MoKα","","0.0404","0.0374","","","0.1256","0.1281","","","","","","1.065","","","","has coordinates","236462","2020-10-21","18:00:00",""
"7236726","17.031","0.003","11.1503","0.0019","8.1223","0.0013","90","","96.862","0.003","90","","1531.4","0.4","298","2","298","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C17 H17 N3 O2 -","- C17 H17 N3 O2 -","- C68 H68 N12 O8 -","4","1","","Lei, Yunxiang; Zhou, Yibin; Qian, Lebin; Wang, Yuxiang; Liu, Miaochang; Huang, Xiaobo; Wu, Ge; Wu, Huayue; Ding, Jinchang; Cheng, Yixiang","Polymorphism and mechanochromism of N-alkylated 1,4-dihydropyridine derivatives containing different electron-withdrawing end groups","Journal of Materials Chemistry C","2017","5","21","5183","","10.1039/C7TC00362E","","","0.71073","MoKα","","0.059","0.0488","","","0.1384","0.1461","","","","","","1.093","","","","has coordinates","236462","2020-10-21","18:00:00",""
"7236727","9.2082","0.0016","12.659","0.002","19.962","0.003","90","","103.023","0.003","90","","2267.1","0.6","133","2","133","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C23 H35 N3 O2 S -","- C23 H35 N3 O2 S -","- C92 H140 N12 O8 S4 -","4","1","","Lei, Yunxiang; Zhou, Yibin; Qian, Lebin; Wang, Yuxiang; Liu, Miaochang; Huang, Xiaobo; Wu, Ge; Wu, Huayue; Ding, Jinchang; Cheng, Yixiang","Polymorphism and mechanochromism of N-alkylated 1,4-dihydropyridine derivatives containing different electron-withdrawing end groups","Journal of Materials Chemistry C","2017","5","21","5183","","10.1039/C7TC00362E","","","0.71073","MoKα","","0.0579","0.039","","","0.0961","0.1075","","","","","","1.008","","","","has coordinates,has disorder","236462","2020-10-21","18:00:00",""
"7236728","7.084","0.003","7.646","0.003","10.376","0.005","98.929","0.009","91.731","0.009","103.705","0.009","538.1","0.4","293","2","293","2","","","","","","","","3","P -1","-P 1","2","","","","- C12 H13 N3 -","- C12 H13 N3 -","- C24 H26 N6 -","2","1","","Lei, Yunxiang; Zhou, Yibin; Qian, Lebin; Wang, Yuxiang; Liu, Miaochang; Huang, Xiaobo; Wu, Ge; Wu, Huayue; Ding, Jinchang; Cheng, Yixiang","Polymorphism and mechanochromism of N-alkylated 1,4-dihydropyridine derivatives containing different electron-withdrawing end groups","Journal of Materials Chemistry C","2017","5","21","5183","","10.1039/C7TC00362E","","","0.71073","MoKα","","0.0599","0.0481","","","0.1216","0.1319","","","","","","1.072","","","","has coordinates","236462","2020-10-21","18:00:00",""
"7236729","17.727","0.013","3.932","0.003","20.797","0.015","90","","111.119","0.016","90","","1352.2","1.7","113","","113","","","","","","","","","2","P 1 21/c 1","-P 2ybc","14","","","","- C42 H26 -","- C42 H26 -","- C84 H52 -","2","0.5","","Liu, Jie; Liu, Jinyu; Zhang, Zichao; Xu, Chunhui; Li, Qingyuan; Zhou, Ke; Dong, Huanli; Zhang, Xiaotao; Hu, Wenping","Enhancing field-effect mobility and maintaining solid-state emission by incorporating 2,6-diphenyl substitution to 9,10-bis(phenylethynyl)anthracene","Journal of Materials Chemistry C","2017","5","10","2519","","10.1039/C7TC00372B","","","0.71073","MoKα","","0.1023","0.0612","","","0.1384","0.163","","","","","","1.04","","","","has coordinates","236464","2020-10-21","18:00:00",""
"7236730","12.743","0.003","23.905","0.006","15.527","0.004","90","","91.345","0.005","90","","4729","2","293","2","293","2","","","","","","","","8","P 1 21/n 1","-P 2yn","14","","","","- C98 H86 Ag2 Cl6 N2 O8 P6 Pt -","- C98 H86 Ag2 Cl6 N2 O8 P6 Pt -","- C196 H172 Ag4 Cl12 N4 O16 P12 Pt2 -","2","0.5","","Li, Yi-Peng; Fan, Xin-Xia; Wu, Yue; Zeng, Xian-Chong; Wang, Jin-Yun; Wei, Qiao-Hua; Chen, Zhong-Ning","High-efficiency organic light-emitting diodes of phosphorescent PtAg2heterotrinuclear acetylide complexes supported by triphosphine","Journal of Materials Chemistry C","2017","5","12","3072","","10.1039/C7TC00382J","","","0.71073","MoKα","","0.0823","0.0725","","","0.1567","0.1622","","","","","","1.168","","","","has coordinates","236466","2020-10-21","18:00:00",""
"7236731","27.124","0.002","15.352","0.0005","25.3119","0.0017","90","","112.696","0.003","90","","9723.9","1","293","2","293","2","","","","","","","","9","P 1 21/c 1","-P 2ybc","14","","","","- C94 H77 B2 Cl4 Cu2 F8 N5 O2 P4 -","- C94 H77 B2 Cl4 Cu2 F8 N5 O2 P4 -","- C376 H308 B8 Cl16 Cu8 F32 N20 O8 P16 -","4","1","","Lin, Ling; Chen, Dong-Hui; Yu, Rongmin; Chen, Xu-Lin; Zhu, Wen-Juan; Liang, Dong; Chang, Jian-Fei; Zhang, Qing; Lu, Can-Zhong","Photo- and electro-luminescence of three TADF binuclear Cu(i) complexes with functional tetraimine ligands","Journal of Materials Chemistry C","2017","5","18","4495","","10.1039/C7TC00443E","","","0.71073","MoKα","","0.0745","0.0616","","","0.184","0.1974","","","","","","1.056","","","","has coordinates","236468","2020-10-21","18:00:00",""
"7236732","30.221","0.009","16.055","0.005","21.286","0.006","90","","97.329","0.006","90","","10244","5","293","2","293","2","","","","","","","","9","P 1 21/c 1","-P 2ybc","14","","","","- C98 H82 B2 Cl10 Cu2 F11 N5 O2 P4 -","- C98 H82 B2 Cl10 Cu2 F11 N5 O2 P4 -","- C392 H328 B8 Cl40 Cu8 F44 N20 O8 P16 -","4","1","","Lin, Ling; Chen, Dong-Hui; Yu, Rongmin; Chen, Xu-Lin; Zhu, Wen-Juan; Liang, Dong; Chang, Jian-Fei; Zhang, Qing; Lu, Can-Zhong","Photo- and electro-luminescence of three TADF binuclear Cu(i) complexes with functional tetraimine ligands","Journal of Materials Chemistry C","2017","5","18","4495","","10.1039/C7TC00443E","","","0.71073","MoKα","","0.1525","0.1135","","","0.2927","0.3253","","","","","","1.134","","","","has coordinates","236468","2020-10-21","18:00:00",""
"7236733","15.16","0.003","17.601","0.003","23.446","0.005","74.285","0.007","87.1","0.008","65.415","0.007","5462.5","1.9","293","2","293","2","","","","","","","","9","P -1","-P 1","2","","","","- C109 H90 B2 Cl10 Cu2 F8 N6 O2 P4 -","- C109 H90 B2 Cl10 Cu2 F8 N6 O2 P4 -","- C218 H180 B4 Cl20 Cu4 F16 N12 O4 P8 -","2","1","","Lin, Ling; Chen, Dong-Hui; Yu, Rongmin; Chen, Xu-Lin; Zhu, Wen-Juan; Liang, Dong; Chang, Jian-Fei; Zhang, Qing; Lu, Can-Zhong","Photo- and electro-luminescence of three TADF binuclear Cu(i) complexes with functional tetraimine ligands","Journal of Materials Chemistry C","2017","5","18","4495","","10.1039/C7TC00443E","","","0.71073","MoKα","","0.0884","0.0723","","","0.2146","0.2357","","","","","","1.048","","","","has coordinates","236468","2020-10-21","18:00:00",""
"7236734","19.6675","0.0003","11.9457","0.0002","21.9773","0.0004","90","","97.166","0.002","90","","5123.06","0.15","100","","100","","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C21 H9 Eu N O9 -","- C21 H9 Eu N O9 -","- C168 H72 Eu8 N8 O72 -","8","1","","Yang, Yan; Chen, Lian; Jiang, Feilong; Wan, Xiuyan; Yu, Muxin; Cao, Zhen; Jing, Tan; Hong, Maochun","Fabricating a super stable luminescent chemosensor with multi-stimuli-response to metal ions and small organic molecules through turn-on and turn-off effects","Journal of Materials Chemistry C","2017","5","18","4511","","10.1039/C7TC00508C","","","1.54184","CuKα","","0.0345","0.0316","","","0.1011","0.1023","","","","","","1.119","","","","has coordinates","236471","2020-10-21","18:00:00",""
"7236735","19.6084","0.0004","11.9016","0.0003","21.9364","0.0005","90","","97.186","0.002","90","","5079.1","0.2","100","","100","","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C21 H11 N O9 Tb -","- C21 H11 N O9 Tb -","- C168 H88 N8 O72 Tb8 -","8","1","","Yang, Yan; Chen, Lian; Jiang, Feilong; Wan, Xiuyan; Yu, Muxin; Cao, Zhen; Jing, Tan; Hong, Maochun","Fabricating a super stable luminescent chemosensor with multi-stimuli-response to metal ions and small organic molecules through turn-on and turn-off effects","Journal of Materials Chemistry C","2017","5","18","4511","","10.1039/C7TC00508C","","","1.54184","CuKα","","0.0328","0.0291","","","0.0733","0.0748","","","","","","0.98","","","","has coordinates","236471","2020-10-21","18:00:00",""
"7236736","7.7123","0.0001","14.4156","0.0002","20.6891","0.0003","90","","90","","90","","2300.16","0.05","293","2","293","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","AF1","8-(2-chlorophenyl)-2-(2,6-dimethoxyphenyl)-6-isopropylthiazolo[5,4-b]thieno[3,2-e]pyridine","","- C25 H21 Cl N2 O2 S2 -","- C25 H21 Cl N2 O2 S2 -","- C100 H84 Cl4 N8 O8 S8 -","4","1","","Huang, Manna; Ye, Shuxian; Xu, Ke; Zhou, Jie; Liu, Junliang; Zhu, Xinhai; Wan, Yiqian","Whole-rainbow-color organic solid fluorophores from subtle modification of thiazolo[5,4-b]thieno[3,2-e]pyridines (TTPs)","Journal of Materials Chemistry C","2017","5","14","3456","","10.1039/C7TC00513J","","","1.54178","CuKα","","0.0339","0.0324","","","0.0795","0.0811","","","","","","1.055","","","","has coordinates","236474","2020-10-21","18:00:00",""
"7236737","7.5032","0.0004","12.2427","0.0009","14.1014","0.0011","88.124","0.006","76.84","0.005","82.587","0.005","1250.78","0.15","293","2","293","2","","","","","","","","6","P -1","-P 1","2","BF1","2-(8-(2-chlorophenyl)-6-isopropylthiazolo[5,4-b]thieno[3,2-e]pyridin-2-yl)-4-nitrophenol","","- C25 H22 Cl N3 O4 S2 -","- C25 H22 Cl N3 O4 S2 -","- C50 H44 Cl2 N6 O8 S4 -","2","1","","Huang, Manna; Ye, Shuxian; Xu, Ke; Zhou, Jie; Liu, Junliang; Zhu, Xinhai; Wan, Yiqian","Whole-rainbow-color organic solid fluorophores from subtle modification of thiazolo[5,4-b]thieno[3,2-e]pyridines (TTPs)","Journal of Materials Chemistry C","2017","5","14","3456","","10.1039/C7TC00513J","","","1.54178","CuKα","","0.0785","0.0589","","","0.1512","0.1681","","","","","","1.038","","","","has coordinates,has disorder","236474","2020-10-21","18:00:00",""
"7236738","7.7588","0.0003","10.654","0.0005","14.3833","0.0008","111.453","0.005","96.496","0.004","93.193","0.004","1093.4","0.1","293","2","293","2","","","","","","","","6","P -1","-P 1","2","BF2","5-chloro-2-(8-(2-chlorophenyl)-6-isopropylthiazolo[5,4-b]thieno[3,2-e]pyridin-2-yl)phenol","","- C23 H16 Cl2 N2 O S2 -","- C23 H16 Cl2 N2 O S2 -","- C46 H32 Cl4 N4 O2 S4 -","2","1","","Huang, Manna; Ye, Shuxian; Xu, Ke; Zhou, Jie; Liu, Junliang; Zhu, Xinhai; Wan, Yiqian","Whole-rainbow-color organic solid fluorophores from subtle modification of thiazolo[5,4-b]thieno[3,2-e]pyridines (TTPs)","Journal of Materials Chemistry C","2017","5","14","3456","","10.1039/C7TC00513J","","","1.54178","CuKα","","0.0482","0.0456","","","0.1269","0.1303","","","","","","1.035","","","","has coordinates","236474","2020-10-21","18:00:00",""
"7236739","8.0688","0.0002","11.8414","0.0002","12.8095","0.0002","115.263","0.002","105.748","0.002","95.196","0.002","1034.91","0.04","293","2","293","2","","","","","","","","6","P -1","-P 1","2","BF3","2-(8-(2-chlorophenyl)-6-isopropylthiazolo[5,4-b]thieno[3,2-e]pyridin-2-yl)-5-methylphenol","","- C24 H19 Cl N2 O S2 -","- C24 H19 Cl N2 O S2 -","- C48 H38 Cl2 N4 O2 S4 -","2","1","","Huang, Manna; Ye, Shuxian; Xu, Ke; Zhou, Jie; Liu, Junliang; Zhu, Xinhai; Wan, Yiqian","Whole-rainbow-color organic solid fluorophores from subtle modification of thiazolo[5,4-b]thieno[3,2-e]pyridines (TTPs)","Journal of Materials Chemistry C","2017","5","14","3456","","10.1039/C7TC00513J","","","1.54178","CuKα","","0.03","0.0295","","","0.0797","0.0802","","","","","","1.042","","","","has coordinates","236474","2020-10-21","18:00:00",""
"7236740","9.2915","0.0001","19.1222","0.0003","24.9136","0.0004","90","","90","","90","","4426.5","0.11","293","2","293","2","","","","","","","","6","P b c a","-P 2ac 2ab","61","BF6","2-(8-(2-chlorophenyl)-6-isopropylthiazolo[5,4-b]thieno[3,2-e]pyridin-2-yl)-4-methylphenol","","- C24 H19 Cl N2 O S2 -","- C24 H19 Cl N2 O S2 -","- C192 H152 Cl8 N16 O8 S16 -","8","1","","Huang, Manna; Ye, Shuxian; Xu, Ke; Zhou, Jie; Liu, Junliang; Zhu, Xinhai; Wan, Yiqian","Whole-rainbow-color organic solid fluorophores from subtle modification of thiazolo[5,4-b]thieno[3,2-e]pyridines (TTPs)","Journal of Materials Chemistry C","2017","5","14","3456","","10.1039/C7TC00513J","","","1.54178","CuKα","","0.0393","0.0366","","","0.1009","0.1037","","","","","","1.043","","","","has coordinates","236474","2020-10-21","18:00:00",""
"7236741","7.3226","0.0001","11.1977","0.0001","31.2881","0.0005","90","","96.368","0.002","90","","2549.68","0.06","293","2","293","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","BF7","4-(tert-butyl)-2-(8-(2-chlorophenyl)-6-isopropylthiazolo[5,4-b]thieno[3,2-e]pyridin-2-yl)phenol","","- C27 H25 Cl N2 O S2 -","- C27 H25 Cl N2 O S2 -","- C108 H100 Cl4 N8 O4 S8 -","4","1","","Huang, Manna; Ye, Shuxian; Xu, Ke; Zhou, Jie; Liu, Junliang; Zhu, Xinhai; Wan, Yiqian","Whole-rainbow-color organic solid fluorophores from subtle modification of thiazolo[5,4-b]thieno[3,2-e]pyridines (TTPs)","Journal of Materials Chemistry C","2017","5","14","3456","","10.1039/C7TC00513J","","","1.54178","CuKα","","0.05","0.0455","","","0.123","0.1265","","","","","","1.044","","","","has coordinates","236474","2020-10-21","18:00:00",""
"7236742","25.724","0.005","10.867","0.002","10.591","0.002","90","","100.7","0.03","90","","2909.2","1","293","2","293","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","BF9","2,4-di-tert-butyl-6-(8-(2-chlorophenyl)-6-isopropylthiazolo[5,4-b]thieno[3,2-e]pyridin-2-yl)phenol","","- C31 H33 Cl N2 O S2 -","- C31 H33 Cl N2 O S2 -","- C124 H132 Cl4 N8 O4 S8 -","4","1","","Huang, Manna; Ye, Shuxian; Xu, Ke; Zhou, Jie; Liu, Junliang; Zhu, Xinhai; Wan, Yiqian","Whole-rainbow-color organic solid fluorophores from subtle modification of thiazolo[5,4-b]thieno[3,2-e]pyridines (TTPs)","Journal of Materials Chemistry C","2017","5","14","3456","","10.1039/C7TC00513J","","","0.71073","MoKα","","0.1022","0.0861","","","0.2341","0.2521","","","","","","1.026","","","","has coordinates,has disorder","236474","2020-10-21","18:00:00",""
"7236743","12.8419","0.0004","9.1338","0.0004","19.5081","0.0008","90","","104.55","0.004","90","","2214.82","0.16","293","2","293","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","BF10","2-(8-(2-chlorophenyl)-6-isopropylthiazolo[5,4-b]thieno[3,2-e]pyridin-2-yl)-5-nitrophenol","","- C23 H16 Cl N3 O3 S2 -","- C23 H16 Cl N3 O3 S2 -","- C92 H64 Cl4 N12 O12 S8 -","4","1","","Huang, Manna; Ye, Shuxian; Xu, Ke; Zhou, Jie; Liu, Junliang; Zhu, Xinhai; Wan, Yiqian","Whole-rainbow-color organic solid fluorophores from subtle modification of thiazolo[5,4-b]thieno[3,2-e]pyridines (TTPs)","Journal of Materials Chemistry C","2017","5","14","3456","","10.1039/C7TC00513J","","","1.54178","CuKα","","0.076","0.0686","","","0.199","0.2082","","","","","","1.047","","","","has coordinates,has disorder","236474","2020-10-21","18:00:00",""
"7236744","20.1226","0.0005","9.5608","0.0004","22.8331","0.0008","90","","90","","90","","4392.8","0.3","293","2","293","2","","","","","","","","6","P b c a","-P 2ac 2ab","61","BF14","2-(8-(2-chlorophenyl)-6-isopropylthiazolo[5,4-b]thieno[3,2-e]pyridin-2-yl)-6-methoxyphenol","","- C24 H19 Cl N2 O2 S2 -","- C24 H19 Cl N2 O2 S2 -","- C192 H152 Cl8 N16 O16 S16 -","8","1","","Huang, Manna; Ye, Shuxian; Xu, Ke; Zhou, Jie; Liu, Junliang; Zhu, Xinhai; Wan, Yiqian","Whole-rainbow-color organic solid fluorophores from subtle modification of thiazolo[5,4-b]thieno[3,2-e]pyridines (TTPs)","Journal of Materials Chemistry C","2017","5","14","3456","","10.1039/C7TC00513J","","","1.54178","CuKα","","0.0617","0.0566","","","0.164","0.1705","","","","","","1.021","","","","has coordinates","236474","2020-10-21","18:00:00",""
"7236745","7.6464","0.0003","9.8781","0.0006","14.4376","0.0011","91.312","0.006","96.272","0.005","94.02","0.004","1080.79","0.11","293","2","293","2","","","","","","","","6","P -1","-P 1","2","BF16","2-(8-(3-chlorophenyl)-6-isopropylthiazolo[5,4-b]thieno[3,2-e]pyridin-2-yl)-4-methoxyphenol","","- C24 H19 Cl N2 O2 S2 -","- C24 H19 Cl N2 O2 S2 -","- C48 H38 Cl2 N4 O4 S4 -","2","1","","Huang, Manna; Ye, Shuxian; Xu, Ke; Zhou, Jie; Liu, Junliang; Zhu, Xinhai; Wan, Yiqian","Whole-rainbow-color organic solid fluorophores from subtle modification of thiazolo[5,4-b]thieno[3,2-e]pyridines (TTPs)","Journal of Materials Chemistry C","2017","5","14","3456","","10.1039/C7TC00513J","","","1.54178","CuKα","","0.1075","0.1041","","","0.3465","0.3475","","","","","","1.199","","","","has coordinates","236474","2020-10-21","18:00:00",""
"7236746","18.2963","0.0013","4.869","0.0003","25.311","0.002","90","","98.904","0.007","90","","2227.6","0.3","293","2","293","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","BF15","2-(8-(4-chlorophenyl)-6-isopropylthiazolo[5,4-b]thieno[3,2-e]pyridin-2-yl)-4-methoxyphenol","","- C24 H19 Cl N2 O2 S2 -","- C24 H19 Cl N2 O2 S2 -","- C96 H76 Cl4 N8 O8 S8 -","4","1","","Huang, Manna; Ye, Shuxian; Xu, Ke; Zhou, Jie; Liu, Junliang; Zhu, Xinhai; Wan, Yiqian","Whole-rainbow-color organic solid fluorophores from subtle modification of thiazolo[5,4-b]thieno[3,2-e]pyridines (TTPs)","Journal of Materials Chemistry C","2017","5","14","3456","","10.1039/C7TC00513J","","","1.54178","CuKα","","0.0884","0.0572","","","0.1454","0.173","","","","","","1.029","","","","has coordinates,has disorder","236474","2020-10-21","18:00:00",""
"7236747","9.2883","0.0002","19.0608","0.0003","24.5265","0.0005","90","","90","","90","","4342.23","0.15","293","2","293","2","","","","","","","","6","P b c a","-P 2ac 2ab","61","BF18","4-amino-2-(8-(2-chlorophenyl)-6-isopropylthiazolo[5,4-b]thieno[3,2-e]pyridin-2-yl)phenol","","- C23 H18 Cl N3 O S2 -","- C23 H18 Cl N3 O S2 -","- C184 H144 Cl8 N24 O8 S16 -","8","1","","Huang, Manna; Ye, Shuxian; Xu, Ke; Zhou, Jie; Liu, Junliang; Zhu, Xinhai; Wan, Yiqian","Whole-rainbow-color organic solid fluorophores from subtle modification of thiazolo[5,4-b]thieno[3,2-e]pyridines (TTPs)","Journal of Materials Chemistry C","2017","5","14","3456","","10.1039/C7TC00513J","","","1.54178","CuKα","","0.0606","0.0547","","","0.1614","0.1691","","","","","","1.063","","","","has coordinates","236474","2020-10-21","18:00:00",""
"7236748","15.122","0.003","24.292","0.004","19.265","0.005","90","","92.237","0.002","90","","7071","3","100","2","100","2","","","","","","","","5","I 1 2/a 1","-I 2ya","15","","Tetrakis[2-phenyl-4-(2,4,6-trimethylphenyl)pyridine-C2,N?]-bis(?-oxamidato-N,N?,O,O?)diiridium(III)","","- C88 H88 Ir2 N6 O2 -","- C82 H74 Ir2 N6 O2 -","- C328 H296 Ir8 N24 O8 -","4","0.5","","M’hamedi, Ahmed; Fox, Mark A.; Batsanov, Andrei S.; Al-Attar, Hameed A.; Monkman, Andrew P.; Bryce, Martin R.","Bright green PhOLEDs using cyclometalated diiridium(iii) complexes with bridging oxamidato ligands as phosphorescent dopants","Journal of Materials Chemistry C","2017","5","27","6777","","10.1039/C7TC00628D","","","0.6889","synchrotron","","0.0495","0.034","","","0.0776","0.083","","","","","","1.06","","","","has coordinates,has disorder","236477","2020-10-21","18:00:00",""
"7236749","12.0305","0.0006","12.8786","0.0006","16.9004","0.0008","73.0878","0.0016","70.7745","0.0017","78.2922","0.0017","2348.8","0.2","120","","120","","","","","","","","","6","P -1","-P 1","2","","","","- C113 H115 Cl Ir2 N6 O2 -","- C113 H115 Cl Ir2 N6 O2 -","- C113 H115 Cl Ir2 N6 O2 -","1","0.5","","M’hamedi, Ahmed; Fox, Mark A.; Batsanov, Andrei S.; Al-Attar, Hameed A.; Monkman, Andrew P.; Bryce, Martin R.","Bright green PhOLEDs using cyclometalated diiridium(iii) complexes with bridging oxamidato ligands as phosphorescent dopants","Journal of Materials Chemistry C","2017","5","27","6777","","10.1039/C7TC00628D","","x-ray","0.71073","MoKα","","0.0588","0.0375","","","0.0794","0.0859","","","","","","1.035","","","","has coordinates,has disorder","236477","2020-10-21","18:00:00",""
"7236750","7.7708","0.0015","8.3156","0.0017","12.492","0.003","98.152","0.004","104.868","0.004","92.54","0.004","769.6","0.3","296","","296","","","","","","","","","5","P -1","-P 1","2","","","","- C15 H15 Au F3 N -","- C15 H15 Au F3 N -","- C30 H30 Au2 F6 N2 -","2","1","","Yamada, Shigeyuki; Yamaguchi, Shun; Tsutsumi, Osamu","Electron-density distribution tuning for enhanced thermal stability of luminescent gold complexes","Journal of Materials Chemistry C","2017","5","31","7977","","10.1039/C7TC00728K","","","0.71073","","","0.0882","0.0831","","","0.2699","0.2798","","","","","","2.369","","","","has coordinates","236479","2020-10-21","18:00:00",""
"7236751","7.859","0.0009","10.4832","0.0012","17.157","0.002","80.866","0.003","80.625","0.003","85.192","0.004","1374.5","0.3","298","","298","","","","","","","","","4","P -1","-P 1","2","","","","- C14 H16 Au N -","- C14 H16 Au N -","- C56 H64 Au4 N4 -","4","2","","Yamada, Shigeyuki; Yamaguchi, Shun; Tsutsumi, Osamu","Electron-density distribution tuning for enhanced thermal stability of luminescent gold complexes","Journal of Materials Chemistry C","2017","5","31","7977","","10.1039/C7TC00728K","","","0.71073","","","0.109","0.0945","","","0.2667","0.2857","","","","","","1.778","","","","has coordinates","236479","2020-10-21","18:00:00",""
"7236752","17.1058","0.0011","7.6742","0.0004","36.409","0.003","90","","90","","90","","4779.5","0.6","103.6","","103.6","","","","","","","","","3","P b c a","-P 2ac 2ab","61","","","","- C36 H23 N -","- C36 H23 N -","- C288 H184 N8 -","8","1","","Cai, Minghan; Song, Xiaozeng; Zhang, Dongdong; Qiao, Juan; Duan, Lian","π‒π stacking: a strategy to improve the electron mobilities of bipolar hosts for TADF and phosphorescent devices with low efficiency roll-off","Journal of Materials Chemistry C","2017","5","13","3372","","10.1039/C7TC00733G","","","0.7107","MoKα","","0.0767","0.0595","","","0.116","0.1256","","","","","","1.09","","","","has coordinates","236481","2020-10-21","18:00:00",""
"7236753","9.7759","0.0004","17.9916","0.0007","27.8822","0.0011","101.316","0.003","100.085","0.003","97.853","0.003","4659.5","0.3","103.2","","103.2","","","","","","","","","3","P -1","-P 1","2","","","","- C36 H23 N -","- C36 H23 N -","- C288 H184 N8 -","8","4","","Cai, Minghan; Song, Xiaozeng; Zhang, Dongdong; Qiao, Juan; Duan, Lian","π‒π stacking: a strategy to improve the electron mobilities of bipolar hosts for TADF and phosphorescent devices with low efficiency roll-off","Journal of Materials Chemistry C","2017","5","13","3372","","10.1039/C7TC00733G","","","0.7107","MoKα","","0.1418","0.0695","","","0.1275","0.1604","","","","","","1.035","","","","has coordinates,has disorder","236481","2020-10-21","18:00:00",""
"7236754","5.55642","0.00018","4.79489","0.00014","26.6236","0.0009","90","","93.307","0.003","90","","708.14","0.04","100","0.18","100","0.18","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C6 H13 N O -","- C6 H13 N O -","- C24 H52 N4 O4 -","4","1","","Zhang, Qin; Mao, Qiuyun; Shang, Cong; Chen, Ya-Nan; Peng, Xin; Tan, Hongwei; Wang, Huiliang","Simple aliphatic oximes as nonconventional luminogens with aggregation-induced emission characteristics","Journal of Materials Chemistry C","2017","5","15","3699","","10.1039/C7TC00783C","","x-ray","1.54184","CuKα","","0.0357","0.0337","","","0.0947","0.0962","","","","","","1.061","","","","has coordinates","236483","2020-10-21","18:00:00",""
"7236755","21.2811","0.0013","7.9273","0.0005","17.6973","0.0011","90","","90","","90","","2985.6","0.3","293","2","293","2","","","","","","","","6","P c c n","-P 2ab 2ac","56","k130801","Ir(dfCF3)2acac","","- C31 H21 F10 Ir N2 O2 -","- C31 H21 F10 Ir N2 O2 -","- C124 H84 F40 Ir4 N8 O8 -","4","0.5","","Cho, Yang-Jin; Kim, So-Yoen; Kim, Jin-Hyoung; Crandell, Douglas W.; Baik, Mu-Hyun; Lee, Jiwon; Kim, Chul Hoon; Son, Ho-Jin; Han, Won-Sik; Kang, Sang Ook","Important role of ancillary ligand in the emission behaviours of blue-emitting heteroleptic Ir(iii) complexes","Journal of Materials Chemistry C","2017","5","18","4480","","10.1039/C7TC00844A","","","0.71073","MoKα","","0.0393","0.0294","","","0.0743","0.0821","","","","","","0.983","","","","has coordinates","236485","2020-10-21","18:00:00",""
"7236756","10.044","0.004","13.686","0.005","17.345","0.007","107.895","0.006","96.247","0.007","107.337","0.006","2112.5","1.4","293","2","293","2","","","","","","","","6","P -1","-P 1","2","k161103","Ir(dfCF3)2bor","","- C38 H26 B F10 Ir N10 -","- C38 H26 B F10 Ir N10 -","- C76 H52 B2 F20 Ir2 N20 -","2","1","","Cho, Yang-Jin; Kim, So-Yoen; Kim, Jin-Hyoung; Crandell, Douglas W.; Baik, Mu-Hyun; Lee, Jiwon; Kim, Chul Hoon; Son, Ho-Jin; Han, Won-Sik; Kang, Sang Ook","Important role of ancillary ligand in the emission behaviours of blue-emitting heteroleptic Ir(iii) complexes","Journal of Materials Chemistry C","2017","5","18","4480","","10.1039/C7TC00844A","","","0.71073","MoKα","","0.0476","0.0392","","","0.096","0.0994","","","","","","0.985","","","","has coordinates","236485","2020-10-21","18:00:00",""
"7236757","12.3776","0.0007","11.0464","0.0006","25.9094","0.0012","90","","111.236","0.002","90","","3302","0.3","293","2","293","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","Ir(dfCF3)2pic","","- C32 H18 F10 Ir N3 O2 -","- C32 H18 F10 Ir N3 O2 -","- C128 H72 F40 Ir4 N12 O8 -","4","1","","Cho, Yang-Jin; Kim, So-Yoen; Kim, Jin-Hyoung; Crandell, Douglas W.; Baik, Mu-Hyun; Lee, Jiwon; Kim, Chul Hoon; Son, Ho-Jin; Han, Won-Sik; Kang, Sang Ook","Important role of ancillary ligand in the emission behaviours of blue-emitting heteroleptic Ir(iii) complexes","Journal of Materials Chemistry C","2017","5","18","4480","","10.1039/C7TC00844A","","","0.71073","MoKα","","0.0383","0.03","","","0.0774","0.0814","","","","","","0.928","","","","has coordinates","236485","2020-10-21","18:00:00",""
"7236758","8.9262","0.0004","18.4737","0.0007","13.1212","0.0005","90","","94.02","0.002","90","","2158.36","0.15","150","2","150","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C45 H42 Cu2 I2 N4 P2 -","- C45 H42 Cu2 I2 N4 P2 -","- C90 H84 Cu4 I4 N8 P4 -","2","0.5","","Liu, Wei; Zhu, Kun; Teat, Simon J.; Deibert, Benjamin J.; Yuan, Wenbing; Li, Jing","A mechanochemical route toward the rational, systematic, and cost-effective green synthesis of strongly luminescent copper iodide based hybrid phosphors","Journal of Materials Chemistry C","2017","5","24","5962","","10.1039/C7TC00889A","","","0.7749","synchrotron","","0.0529","0.0328","","","0.0649","0.0719","","","","","","1.005","","","","has coordinates,has disorder","236488","2020-10-21","18:00:00",""
"7236759","8.3","0.0003","9.2088","0.0004","14.4351","0.0006","79.195","0.002","76.687","0.002","63.524","0.002","956.5","0.07","150","2","150","2","","","","","","","","6","P -1","-P 1","2","","","","- C21 H19 Cu I N P -","- C21 H19 Cu I N P -","- C42 H38 Cu2 I2 N2 P2 -","2","1","","Liu, Wei; Zhu, Kun; Teat, Simon J.; Deibert, Benjamin J.; Yuan, Wenbing; Li, Jing","A mechanochemical route toward the rational, systematic, and cost-effective green synthesis of strongly luminescent copper iodide based hybrid phosphors","Journal of Materials Chemistry C","2017","5","24","5962","","10.1039/C7TC00889A","","","0.7749","synchrotron","","0.036","0.0271","","","0.0606","0.0643","","","","","","1.015","","","","has coordinates","236488","2020-10-21","18:00:00",""
"7236760","11.9531","0.0004","14.6004","0.0005","15.7384","0.0006","113.628","0.001","102.747","0.002","94.386","0.002","2412.23","0.15","100","2","100","2","","","","","","","","6","P -1","-P 1","2","","","","- C52 H46 Cu2 I2 N4 P2 -","- C52 H46 Cu2 I2 N4 P2 -","- C104 H92 Cu4 I4 N8 P4 -","2","1","","Liu, Wei; Zhu, Kun; Teat, Simon J.; Deibert, Benjamin J.; Yuan, Wenbing; Li, Jing","A mechanochemical route toward the rational, systematic, and cost-effective green synthesis of strongly luminescent copper iodide based hybrid phosphors","Journal of Materials Chemistry C","2017","5","24","5962","","10.1039/C7TC00889A","","","0.7749","synchrotron","","0.0398","0.0273","","","0.0603","0.0657","","","","","","1.033","","","","has coordinates","236488","2020-10-21","18:00:00",""
"7236761","9.2967","0.0004","9.6556","0.0004","13.6494","0.0006","71.076","0.002","72.817","0.002","73.955","0.002","1084.95","0.08","100","2","100","2","","","","","","","","6","P -1","-P 1","2","","","","- C46 H42 Cu2 I2 N4 P2 -","- C46 H42 Cu2 I2 N4 P2 -","- C46 H42 Cu2 I2 N4 P2 -","1","0.5","","Liu, Wei; Zhu, Kun; Teat, Simon J.; Deibert, Benjamin J.; Yuan, Wenbing; Li, Jing","A mechanochemical route toward the rational, systematic, and cost-effective green synthesis of strongly luminescent copper iodide based hybrid phosphors","Journal of Materials Chemistry C","2017","5","24","5962","","10.1039/C7TC00889A","","","0.7749","synchrotron","","0.0245","0.0197","","","0.0449","0.0467","","","","","","1.073","","","","has coordinates","236488","2020-10-21","18:00:00",""
"7236762","9.3013","0.0003","11.5128","0.0004","11.6191","0.0005","80.231","0.002","71.464","0.002","69.554","0.002","1102.95","0.07","150","2","150","2","","","","","","","","7","P -1","-P 1","2","","","","- C46 H38 Br2 Cu2 I2 N2 P2 -","- C46 H38 Br2 Cu2 I2 N2 P2 -","- C46 H38 Br2 Cu2 I2 N2 P2 -","1","0.5","","Liu, Wei; Zhu, Kun; Teat, Simon J.; Deibert, Benjamin J.; Yuan, Wenbing; Li, Jing","A mechanochemical route toward the rational, systematic, and cost-effective green synthesis of strongly luminescent copper iodide based hybrid phosphors","Journal of Materials Chemistry C","2017","5","24","5962","","10.1039/C7TC00889A","","","0.7749","synchrotron","","0.0375","0.027","","","0.0582","0.062","","","","","","1.012","","","","has coordinates","236488","2020-10-21","18:00:00",""
"7236763","15.1834","0.0007","21.2369","0.0009","17.6739","0.0007","90","","115.349","0.002","90","","5150.2","0.4","150","2","150","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C57 H56 Cu2 I2 N2 P2 -","- C57 H50 Cu2 I2 N2 P2 -","- C228 H200 Cu8 I8 N8 P8 -","4","1","","Liu, Wei; Zhu, Kun; Teat, Simon J.; Deibert, Benjamin J.; Yuan, Wenbing; Li, Jing","A mechanochemical route toward the rational, systematic, and cost-effective green synthesis of strongly luminescent copper iodide based hybrid phosphors","Journal of Materials Chemistry C","2017","5","24","5962","","10.1039/C7TC00889A","","","0.7749","synchrotron","","0.0449","0.0287","","","0.0563","0.0617","","","","","","1.014","","","","has coordinates,has disorder","236488","2020-10-21","18:00:00",""
"7236764","9.3615","0.0003","10.624","0.0003","12.5081","0.0003","79.653","0.002","89.326","0.002","66.439","0.002","1119.27","0.06","296","2","296","2","","","","","","","","5","P -1","-P 1","2","","","","- C21 H21 Dy N2 O9 -","- C21 H21 Dy N2 O9 -","- C42 H42 Dy2 N4 O18 -","2","1","","Xia, Tifeng; Cui, Yuanjing; Yang, Yu; Qian, Guodong","A luminescent ratiometric thermometer based on thermally coupled levels of a Dy-MOF","Journal of Materials Chemistry C","2017","5","21","5044","","10.1039/C7TC00921F","","","0.71073","MoKα","","0.0543","0.0368","","","0.0715","0.0779","","","","","","1.031","","","","has coordinates","236490","2020-10-21","18:00:00",""
"7236765","6.2564","0.0005","11.3834","0.001","17.9585","0.0015","97.453","0.002","94.502","0.002","96.73","0.002","1253.73","0.18","296","2","296","2","","","","","","","","4","P -1","-P 1","2","","","","- C28 H28 N4 O -","- C28 H28 N4 O -","- C56 H56 N8 O2 -","2","1","","Wu, Jieyun; Wang, Wen; Gong, Chaoyang; Li, Qing; Li, Zhonghui; Deng, Guowei; Zhang, Xiaoling; Chen, Kaixin; Gong, Yuan; Chiang, Kin seng","Tuning the strength of intramolecular charge-transfer of triene-based nonlinear optical dyes for electro-optics and optofluidic lasers","Journal of Materials Chemistry C","2017","5","30","7472","","10.1039/C7TC00958E","","","0.71073","MoKα","","0.091","0.0483","","","0.1204","0.1463","","","","","","1.012","","","","has coordinates","236492","2020-10-21","18:00:00",""
"7236766","10.9395","0.0014","8.3215","0.0011","17.16","0.002","90","","90","","90","","1562.1","0.3","293","2","293","2","","","","","","","","4","P b c n","-P 2n 2ab","60","","","","- C17 H16 O2 S2 -","- C17 H16 O2 S2 -","- C68 H64 O8 S8 -","4","0.5","","Wang, Jiaxing; Gao, Ya; Zhang, Junji; Tian, He","Invisible photochromism and optical anti-counterfeiting based on D‒A type inverse diarylethene","Journal of Materials Chemistry C","2017","5","18","4571","","10.1039/C7TC00962C","","","0.71073","MoKα","","0.0493","0.04","","","0.1104","0.1185","","","","","","1.072","","","","has coordinates","236493","2020-10-21","18:00:00",""
"7236767","9.421","0.008","15.789","0.012","22.299","0.018","90","","102.2","","90","","3242","5","296","2","296","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C29 H25 Eu N6 O13 Zn -","- C29 H25 Eu N6 O13 Zn -","- C116 H100 Eu4 N24 O52 Zn4 -","4","1","","Liu, Lin; Li, Hongyan; Su, Peiyang; Zhang, Zhao; Fu, Guorui; Li, Baoning; Lü, Xingqiang","Red to white polymer light-emitting diode (PLED) based on Eu3±-Zn2±-Gd3±containing metallopolymer","Journal of Materials Chemistry C","2017","5","19","4780","","10.1039/C7TC01054K","","","0.71073","MoKα","","0.1512","0.0647","","","0.1472","0.1856","","","","","","0.797","","","","has coordinates","236495","2020-10-21","18:00:00",""
"7236768","6.5974","0.0001","13.7002","0.0003","14.6244","0.0002","90","","92.59","0.002","90","","1320.49","0.04","100","0.6","100","0.6","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C6 H14 Br4 Fe N -","- C6 H14 Br4 Fe N -","- C24 H56 Br16 Fe4 N4 -","4","1","","Han, Shiguo; Zhang, Jing; Teng, Bing; Ji, Chengmin; Zhang, Weichuan; Sun, Zhihua; Luo, Junhua","Inorganic‒organic hybrid switchable dielectric materials with the coexistence of magnetic anomalies induced by reversible high-temperature phase transition","Journal of Materials Chemistry C","2017","5","33","8509","","10.1039/C7TC01085K","","","1.54184","CuKα","","0.0917","0.0889","","","0.2314","0.2364","","","","","","1.09","","","","has coordinates","236497","2020-10-21","18:00:00",""
"7236769","9.9932","0.0004","9.5392","0.0004","14.8097","0.0005","90","","90","","90","","1411.77","0.09","345","0.1","345","0.1","","","","","","","","5","C m c m","-C 2c 2","63","","","","- C6 H14 Br4 Fe N -","- C6 H14 Br4 Fe N -","- C24 H56 Br16 Fe4 N4 -","4","0.25","","Han, Shiguo; Zhang, Jing; Teng, Bing; Ji, Chengmin; Zhang, Weichuan; Sun, Zhihua; Luo, Junhua","Inorganic‒organic hybrid switchable dielectric materials with the coexistence of magnetic anomalies induced by reversible high-temperature phase transition","Journal of Materials Chemistry C","2017","5","33","8509","","10.1039/C7TC01085K","","","1.54178","CuKα","","0.0628","0.054","","","0.1477","0.1588","","","","","","1.024","","","","has coordinates","236497","2020-10-21","18:00:00",""
"7236770","17.0741","0.0012","18.7485","0.0014","16.4301","0.0012","90","","113.064","0.002","90","","4839.1","0.6","173","2","173","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C61.5 H45 Cl N4 Si -","- C61.5 H45 Cl N4 Si -","- C246 H180 Cl4 N16 Si4 -","4","1","","Lin, Gengwei; Chen, Long; Peng, Huiren; Chen, Shuming; Zhuang, Zeyan; Li, Yinghao; Wang, Bohan; Zhao, Zujin; Tang, Ben Zhong","3,4-Donor- and 2,5-acceptor-functionalized dipolar siloles: synthesis, structure, photoluminescence and electroluminescence","Journal of Materials Chemistry C","2017","5","20","4867","","10.1039/C7TC01217A","","","0.71073","MoKα","","0.148","0.0665","","","0.1548","0.1896","","","","","","1.029","","","","has coordinates","236499","2020-10-21","18:00:00",""
"7236771","29.848","0.002","8.1482","0.0006","15.0184","0.0009","90","","93.207","0.003","90","","3646.9","0.4","223","","223","","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C31 H49 F6 K N3 O8 P -","- C31 H49 F6 K N3 O8 P -","- C124 H196 F24 K4 N12 O32 P4 -","4","1","","Nakane, Yuta; Takeda, Takashi; Hoshino, Norihisa; Sakai, Ken-ichi; Akutagawa, Tomoyuki","Dual fluorescent zwitterionic organogels of a quinoxalinone derivative using cation‒anion detection keys","Journal of Materials Chemistry C","2017","5","25","6234","","10.1039/C7TC01242J","","","1.54187","CuKα","","0.2399","0.1384","","","0.3916","0.4666","","","","","","1.261","","","","has coordinates","236501","2020-10-21","18:00:00",""
"7236772","8.09104","0.00019","16.5137","0.0004","37.7683","0.0011","90.978","0.0013","95.1588","0.0014","90.1324","0.0012","5025.1","0.2","89","","89","","","","","","","","","4","P -1","-P 1","2","","","","- C47 H88 N4 O10 -","- C47 H84 N4 O10 -","- C188 H336 N16 O40 -","4","2","","Nakane, Yuta; Takeda, Takashi; Hoshino, Norihisa; Sakai, Ken-ichi; Akutagawa, Tomoyuki","Dual fluorescent zwitterionic organogels of a quinoxalinone derivative using cation‒anion detection keys","Journal of Materials Chemistry C","2017","5","25","6234","","10.1039/C7TC01242J","","","1.54187","CuKα","","0.227","0.133","","","0.3109","0.3768","","","","","","0.969","","","","has coordinates","236501","2020-10-21","18:00:00",""
"7236773","22.5096","0.0006","23.769","0.0006","33.7136","0.0006","95.064","0.002","98.276","0.002","110.727","0.002","16504.7","0.7","93","2","93","2","","","","","","","","5","P -1","-P 1","2","","","","- C180 H131 Cl0 N4 S0 -","- C180 H131.007 N4 -","- C720 H524.03 N16 -","4","2","","Oda, Kazuma; Hiroto, Satoru; Shinokubo, Hiroshi","NIR mechanochromic behaviours of a tetracyanoethylene-bridged hexa-peri-hexabenzocoronene dimer and trimer through dissociation of C‒C bonds","Journal of Materials Chemistry C","2017","5","22","5310","","10.1039/C7TC01270E","","","0.71073","MoKα","","0.162","0.0967","","","0.2599","0.2915","","","","","","0.97","","","","has coordinates,has disorder","236503","2020-10-21","18:00:00",""
"7236774","27.082","0.003","18.0169","0.0019","29.236","0.003","90","","90","","90","","14265","3","296","2","296","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C42 H34 N4 O Pt -","- C42 H34 N4 O Pt -","- C672 H544 N64 O16 Pt16 -","16","2","","Li, Jing; Liang, Feng; Zhao, Yue; Liu, Xiang-Yang; Fan, Jian; Liao, Liang-Sheng","Highly phosphorescent cyclometalated platinum(ii) complexes based on 2-phenylbenzimidazole-containing ligands","Journal of Materials Chemistry C","2017","5","25","6202","","10.1039/C7TC01369H","","","0.71073","MoKα","","0.0828","0.043","","","0.0877","0.1024","","","","","","1.019","","","","has coordinates","236505","2020-10-21","18:00:00",""
"7236775","8.0849","0.0008","8.3286","0.0009","10.9474","0.0011","94.865","0.002","111.294","0.002","96.125","0.002","676.81","0.12","150","2","150","2","","","","","","","","3","P -1","-P 1","2","","(2Z,4Z)-3,4-dihydroxy-1,6-bis(4-(hexyloxy) phenyl)hexa-2,4-diene-1,6-dione","","- C30 H38 O6 -","- C30 H38 O6 -","- C30 H38 O6 -","1","0.5","","Chen, Ya-Wen; Lin, Yen-Chun; Kuo, Hsiu-Ming; Lai, Chung K.","Fluorescent columnar bis(boron difluoride) complexes derived from tetraketonates","Journal of Materials Chemistry C","2017","5","22","5465","","10.1039/C7TC01425B","","","0.71073","MoKα","","0.0638","0.0447","","","0.1147","0.1256","","","","","","1.031","","","","has coordinates","236507","2020-10-21","18:00:00",""
"7236776","7.1844","0.0002","8.0944","0.0002","20.2275","0.0004","94.3001","0.0006","98.6972","0.0006","102.674","0.0006","1127.28","0.05","200","2","200","2","","","","","","","","5","P -1","-P 1","2","","bis(borondifluoride) complex of (2Z,4Z)- 3,4-dihydroxy-1,6-bis(4-(tetradecyloxy)phenyl)hexa-2,4-diene-1,6-dione","","- C46 H68 B2 F4 O6 -","- C46 H68 B2 F4 O6 -","- C46 H68 B2 F4 O6 -","1","0.5","","Chen, Ya-Wen; Lin, Yen-Chun; Kuo, Hsiu-Ming; Lai, Chung K.","Fluorescent columnar bis(boron difluoride) complexes derived from tetraketonates","Journal of Materials Chemistry C","2017","5","22","5465","","10.1039/C7TC01425B","","","1.54178","CuKα","","0.0429","0.0388","","","0.1147","0.1184","","","","","","1.06","","","","has coordinates","236507","2020-10-21","18:00:00",""
"7236777","22.809","0.006","17.989","0.004","15.485","0.007","90","","131.863","0.003","90","","4732","3","296","2","296","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","BDPP","1,4-Diketo-2,5-dibutyl-3,6-di(p-chlorophenyl)pyrrolo[3,4,c]pyrrole","","- C26 H26 Cl2 N2 O2 -","- C26 H26 Cl2 N2 O2 -","- C208 H208 Cl16 N16 O16 -","8","1","","Ying, Shian; Chen, Mingshuai; Liu, Zhongwei; Zheng, Meng; Zhang, Haichang; Xue, Shanfeng; Yang, Wenjun","Unusual mechanohypsochromic luminescence and unique bidirectional thermofluorochromism of long-alkylated simple DPP dyes","Journal of Materials Chemistry C","2017","5","24","5994","","10.1039/C7TC01453H","","","0.71073","MoKα","","0.0816","0.0586","","","0.1359","0.1522","","","","","","1.052","","","","has coordinates","236508","2020-10-21","18:00:00",""
"7236778","21.085","0.004","4.8864","0.0008","21.502","0.004","90","","113.73","0.02","90","","2028","0.7","150","2","150","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","TDPP","1,4-diketo-2,5-di(tetradecyl)-3,6-bis-(4-chlorophenyl)pyrrolo[3,4-c]pyrrole","","- C46 H66 Cl2 N2 O2 -","- C46 H66 Cl2 N2 O2 -","- C92 H132 Cl4 N4 O4 -","2","0.5","","Ying, Shian; Chen, Mingshuai; Liu, Zhongwei; Zheng, Meng; Zhang, Haichang; Xue, Shanfeng; Yang, Wenjun","Unusual mechanohypsochromic luminescence and unique bidirectional thermofluorochromism of long-alkylated simple DPP dyes","Journal of Materials Chemistry C","2017","5","24","5994","","10.1039/C7TC01453H","","","1.54184","CuKα","","0.061","0.0447","","","0.1081","0.1308","","","","","","1.047","","","","has coordinates","236508","2020-10-21","18:00:00",""
"7236779","8.989","0.0018","14.612","0.003","7.2748","0.0015","90","","93.86","0.03","90","","953.4","0.3","293","2","293","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C4 H9 Cl3 Mn N2 O -","- C4 H9 Cl3 Mn N2 O -","- C16 H36 Cl12 Mn4 N8 O4 -","4","1","","Guo, Qiang; Zhang, Wan-Ying; Chen, Cheng; Ye, Qiong; Fu, Da-Wei","Red-light emission and dielectric reversible duple opto-electronic switches in a hybrid multifunctional material: (2-methylimidazolium)MnCl3(H2O)","Journal of Materials Chemistry C","2017","5","22","5458","","10.1039/C7TC01520H","","","0.71073","MoKα","","0.1148","0.0944","","","0.3399","0.3455","","","","","","1.068","","","","has coordinates,has disorder","236509","2020-10-21","18:00:00",""
"7236780","26.896","0.003","14.523","0.003","7.2525","0.001","90","","93.862","0.007","90","","2826.5","0.8","173","2","173","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C4 H9 Cl3 Mn N2 O -","- C4 H9 Cl3 Mn N2 O -","- C48 H108 Cl36 Mn12 N24 O12 -","12","3","","Guo, Qiang; Zhang, Wan-Ying; Chen, Cheng; Ye, Qiong; Fu, Da-Wei","Red-light emission and dielectric reversible duple opto-electronic switches in a hybrid multifunctional material: (2-methylimidazolium)MnCl3(H2O)","Journal of Materials Chemistry C","2017","5","22","5458","","10.1039/C7TC01520H","","","0.71073","MoKα","","0.1315","0.1015","","","0.3216","0.3425","","","","","","1.278","","","","has coordinates","236509","2020-10-21","18:00:00",""
"7236781","7.963","0.0018","8.0155","0.0018","10.948","0.002","103.904","0.004","101.576","0.004","113.133","0.005","588.7","0.2","100","2","100","2","","","","","","","","6","P -1","-P 1","2","Boron diketonate","4BMBF","","- C11 H11 B F2 O3 S -","- C11 H11 B F2 O3 S -","- C22 H22 B2 F4 O6 S2 -","2","1","","Sriram Babu, Seenivasagaperumal; Shanmugam, Sivakumar","One-pot synthesis of boron diketonate complexes: photophysical properties and sensor for picric acid","Journal of Materials Chemistry C","2017","5","19","4788","","10.1039/C7TC01569K","","","0.71073","MoKα","","0.0363","0.0312","","","0.0786","0.0811","","","","","","1.1","","","","has coordinates","236510","2020-10-21","18:00:00",""
"7236782","3.7206","0.0002","18.3471","0.0009","10.1369","0.0005","90","","98.126","0.003","90","","685.02","0.06","170","2","170","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C17 H13 N O5 -","- C17 H13 N O5 -","- C34 H26 N2 O10 -","2","1","","Li, Meiqi; Zhang, Qi; He, Hongyan; Wang, Jian-Rong; Mei, Xuefeng","Vapor triggered fluorescent color changes among solvates of Emodin","Journal of Materials Chemistry C","2017","5","24","5970","","10.1039/C7TC01593C","","","0.71073","MoKα","","0.0952","0.0595","","","0.1616","0.1987","","","","","","1.039","","","","has coordinates","236512","2020-10-21","18:00:00",""
"7236783","6.9658","0.0004","8.0624","0.0005","14.6322","0.0009","75.678","0.004","81.535","0.004","88.527","0.004","787.5","0.08","170","2","170","2","","","","","","","","4","P -1","-P 1","2","","","","- C16 H11 Cl3 O5 -","- C16 H11 Cl3 O5 -","- C32 H22 Cl6 O10 -","2","1","","Li, Meiqi; Zhang, Qi; He, Hongyan; Wang, Jian-Rong; Mei, Xuefeng","Vapor triggered fluorescent color changes among solvates of Emodin","Journal of Materials Chemistry C","2017","5","24","5970","","10.1039/C7TC01593C","","","0.71073","MoKα","","0.0758","0.0531","","","0.1344","0.1444","","","","","","1.127","","","","has coordinates","236512","2020-10-21","18:00:00",""
"7236784","16.6526","0.0009","13.0136","0.0006","7.1164","0.0004","90","","101.118","0.003","90","","1513.25","0.14","170","2","170","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C18 H16 O6 -","- C18 H16 O6 -","- C72 H64 O24 -","4","1","","Li, Meiqi; Zhang, Qi; He, Hongyan; Wang, Jian-Rong; Mei, Xuefeng","Vapor triggered fluorescent color changes among solvates of Emodin","Journal of Materials Chemistry C","2017","5","24","5970","","10.1039/C7TC01593C","","","0.71073","MoKα","","0.0921","0.0467","","","0.107","0.1243","","","","","","1.065","","","","has coordinates","236512","2020-10-21","18:00:00",""
"7236785","5.052","0.0007","13.1936","0.0017","13.2923","0.0017","112.28","0.005","97.693","0.005","92.622","0.005","807.95","0.19","100","2","100","","","","","","","","","3","P -1","-P 1","2","","","","- C19 H18 O7 -","- C19 H18 O7 -","- C38 H36 O14 -","2","1","","Li, Meiqi; Zhang, Qi; He, Hongyan; Wang, Jian-Rong; Mei, Xuefeng","Vapor triggered fluorescent color changes among solvates of Emodin","Journal of Materials Chemistry C","2017","5","24","5970","","10.1039/C7TC01593C","","","0.71073","MoKα","","0.0786","0.0568","","","0.1753","0.2006","","","","","","1.074","","","","has coordinates,has disorder","236512","2020-10-21","18:00:00",""
"7236786","4.2914","0.0003","10.3982","0.0007","16.1764","0.001","81.924","0.004","89.829","0.004","85.327","0.004","712.28","0.08","170","2","170","2","","","","","","","","3","P -1","-P 1","2","","","","- C17 H16 O6 -","- C17 H16 O6 -","- C34 H32 O12 -","2","1","","Li, Meiqi; Zhang, Qi; He, Hongyan; Wang, Jian-Rong; Mei, Xuefeng","Vapor triggered fluorescent color changes among solvates of Emodin","Journal of Materials Chemistry C","2017","5","24","5970","","10.1039/C7TC01593C","","","0.71073","MoKα","","0.0674","0.0475","","","0.1325","0.1594","","","","","","1.086","","","","has coordinates","236512","2020-10-21","18:00:00",""
"7236787","3.8735","0.0005","15.89","0.002","21.215","0.003","90","","92.664","0.006","90","","1304.4","0.3","170","2","170","2","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","","","- C16 H14 O6 -","- C16 H14 O6 -","- C64 H56 O24 -","4","1","","Li, Meiqi; Zhang, Qi; He, Hongyan; Wang, Jian-Rong; Mei, Xuefeng","Vapor triggered fluorescent color changes among solvates of Emodin","Journal of Materials Chemistry C","2017","5","24","5970","","10.1039/C7TC01593C","","","0.71073","MoKα","","0.1694","0.0679","","","0.1726","0.2248","","","","","","0.965","","","","has coordinates","236512","2020-10-21","18:00:00",""
"7236788","9.5428","0.0013","10.2866","0.0011","12.734","0.0014","68.61","0.008","85.612","0.011","72.461","0.009","1109","0.2","133","2","133.15","","","","","","","","","4","P -1","-P 1","2","","DCPP","","- C30 H21 N2 P -","- C30 H21 N2 P -","- C60 H42 N4 P2 -","2","1","","Zhao, Zifeng; Yu, Gang; Chang, Qiaowen; Liu, Xiaochen; Liu, Yang; Wang, Liding; Liu, Zhiwei; Bian, Zuqiang; Liu, Weiping; Huang, Chunhui","Carbazolylphosphines and carbazolylphosphine oxides: facilely synthesized host materials with tunable mobilities and high triplet energy levels for blue phosphorescent OLEDs","Journal of Materials Chemistry C","2017","5","29","7344","","10.1039/C7TC01594A","","","0.71073","MoKα","","0.0351","0.0321","","","0.0861","0.0876","","","","","","1.055","","","","has coordinates","236515","2020-10-21","18:00:00",""
"7236789","17.17","0.002","9.1604","0.001","17.355","0.002","90","","99.83","0.002","90","","2689.6","0.5","133.15","","133.15","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","TCP","","- C36 H24 N3 P -","- C36 H24 N3 P -","- C144 H96 N12 P4 -","4","1","","Zhao, Zifeng; Yu, Gang; Chang, Qiaowen; Liu, Xiaochen; Liu, Yang; Wang, Liding; Liu, Zhiwei; Bian, Zuqiang; Liu, Weiping; Huang, Chunhui","Carbazolylphosphines and carbazolylphosphine oxides: facilely synthesized host materials with tunable mobilities and high triplet energy levels for blue phosphorescent OLEDs","Journal of Materials Chemistry C","2017","5","29","7344","","10.1039/C7TC01594A","","","0.71073","MoKα","","0.0486","0.0439","","","0.1115","0.1161","","","","","","1.068","","","","has coordinates","236515","2020-10-21","18:00:00",""
"7236790","9.7137","0.0011","16.0797","0.0015","16.786","0.0019","118.304","0.008","102.154","0.014","94.713","0.011","2205.6","0.5","133","2","133.15","","","","","","","","","5","P -1","-P 1","2","","DCPPO","","- C30 H21 N2 O P -","- C30 H21 N2 O P -","- C120 H84 N8 O4 P4 -","4","2","","Zhao, Zifeng; Yu, Gang; Chang, Qiaowen; Liu, Xiaochen; Liu, Yang; Wang, Liding; Liu, Zhiwei; Bian, Zuqiang; Liu, Weiping; Huang, Chunhui","Carbazolylphosphines and carbazolylphosphine oxides: facilely synthesized host materials with tunable mobilities and high triplet energy levels for blue phosphorescent OLEDs","Journal of Materials Chemistry C","2017","5","29","7344","","10.1039/C7TC01594A","","","0.71073","MoKα","","0.0535","0.0388","","","0.0908","0.0976","","","","","","1.03","","","","has coordinates","236515","2020-10-21","18:00:00",""
"7236791","16.8479","0.0005","8.9589","0.0002","18.2273","0.0005","90","","102.54","0.003","90","","2685.57","0.13","180","0.3","180","0.3","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","TCPO","tri(9H-carbazol-9-yl)phosphine oxide","","- C36 H24 N3 O P -","- C36 H24 N3 O P -","- C144 H96 N12 O4 P4 -","4","1","","Zhao, Zifeng; Yu, Gang; Chang, Qiaowen; Liu, Xiaochen; Liu, Yang; Wang, Liding; Liu, Zhiwei; Bian, Zuqiang; Liu, Weiping; Huang, Chunhui","Carbazolylphosphines and carbazolylphosphine oxides: facilely synthesized host materials with tunable mobilities and high triplet energy levels for blue phosphorescent OLEDs","Journal of Materials Chemistry C","2017","5","29","7344","","10.1039/C7TC01594A","","x-ray","0.71073","MoKα","","0.0387","0.0345","","","0.0913","0.0938","","","","","","1.0336","","","","has coordinates","236515","2020-10-21","18:00:00",""
"7236792","7.881","0.004","11.54","0.007","15.256","0.008","75.47","0.018","87.554","0.018","78.835","0.018","1317.7","1.3","293","2","293","2","","","","","","","","4","P -1","-P 1","2","","","","- C30 H40 B N -","- C30 H40 B N -","- C60 H80 B2 N2 -","2","1","","Sudhakar, Pagidi; Neena, Kalluvettukuzhy K.; Thilagar, Pakkirisamy","H-Bond assisted mechanoluminescence of borylated aryl amines: tunable emission and polymorphism","Journal of Materials Chemistry C","2017","5","26","6537","","10.1039/C7TC01676J","","","0.71073","MoKα","","0.1407","0.0854","","","0.2244","0.2383","","","","","","1.181","","","","has coordinates","236518","2020-10-21","18:00:00",""
"7236793","8.4888","0.0004","16.5462","0.0007","32.8121","0.0014","90","","90","","90","","4608.7","0.4","373","2","373","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C28 H36 B N -","- C28 H36 B N -","- C224 H288 B8 N8 -","8","1","","Sudhakar, Pagidi; Neena, Kalluvettukuzhy K.; Thilagar, Pakkirisamy","H-Bond assisted mechanoluminescence of borylated aryl amines: tunable emission and polymorphism","Journal of Materials Chemistry C","2017","5","26","6537","","10.1039/C7TC01676J","","","0.71073","MoKα","","0.073","0.0473","","","0.1031","0.1113","","","","","","1.019","","","","has coordinates","236518","2020-10-21","18:00:00",""
"7236794","8.843","0.002","12.238","0.003","12.79","0.003","73.939","0.008","71.148","0.008","75.05","0.008","1236.9","0.5","293","2","293","2","","","","","","","","4","P -1","-P 1","2","","","","- C28 H37 B N2 -","- C28 H37 B N2 -","- C56 H74 B2 N4 -","2","1","","Sudhakar, Pagidi; Neena, Kalluvettukuzhy K.; Thilagar, Pakkirisamy","H-Bond assisted mechanoluminescence of borylated aryl amines: tunable emission and polymorphism","Journal of Materials Chemistry C","2017","5","26","6537","","10.1039/C7TC01676J","","","0.71073","MoKα","","0.0777","0.0648","","","0.2082","0.2193","","","","","","1.084","","","","has coordinates","236518","2020-10-21","18:00:00",""
"7236795","8.49","0.002","11.754","0.003","12.334","0.003","106.332","0.013","96.924","0.013","102.979","0.012","1128.6","0.5","293","2","293","2","","","","","","","","4","P -1","-P 1","2","","","","- C26 H32 B N -","- C26 H32 B N -","- C52 H64 B2 N2 -","2","1","","Sudhakar, Pagidi; Neena, Kalluvettukuzhy K.; Thilagar, Pakkirisamy","H-Bond assisted mechanoluminescence of borylated aryl amines: tunable emission and polymorphism","Journal of Materials Chemistry C","2017","5","26","6537","","10.1039/C7TC01676J","","","0.71073","MoKα","","0.0832","0.0649","","","0.1924","0.2037","","","","","","1.269","","","","has coordinates","236518","2020-10-21","18:00:00",""
"7236796","8.4233","0.0003","15.8089","0.0006","16.7308","0.0006","99.825","0.002","101.361","0.002","100.19","0.002","2100.5","0.14","100","","100","","","","","","","","","4","P -1","-P 1","2","","","","- C24 H29 B N2 -","- C24 H29 B N2 -","- C96 H116 B4 N8 -","4","2","","Sudhakar, Pagidi; Neena, Kalluvettukuzhy K.; Thilagar, Pakkirisamy","H-Bond assisted mechanoluminescence of borylated aryl amines: tunable emission and polymorphism","Journal of Materials Chemistry C","2017","5","26","6537","","10.1039/C7TC01676J","","","0.71073","MoKα","","0.0516","0.0441","","","0.1202","0.1247","","","","","","1.064","","","","has coordinates","236518","2020-10-21","18:00:00",""
"7236797","8.6548","0.0011","12.1919","0.0013","39.327","0.004","90","","90.715","0.007","90","","4149.4","0.8","100","","100","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C48 H58 B2 N4 -","- C48 H58 B2 N4 -","- C192 H232 B8 N16 -","4","1","","Sudhakar, Pagidi; Neena, Kalluvettukuzhy K.; Thilagar, Pakkirisamy","H-Bond assisted mechanoluminescence of borylated aryl amines: tunable emission and polymorphism","Journal of Materials Chemistry C","2017","5","26","6537","","10.1039/C7TC01676J","","","0.71073","MoKα","","0.0814","0.0557","","","0.1361","0.1483","","","","","","1.076","","","","has coordinates","236518","2020-10-21","18:00:00",""
"7236798","24.556","0.004","24.556","0.004","17.68","0.003","90","","90","","90","","10661","3","100","2","100","2","","","","","","","","6","I 4 2 2","I 4 2","97","","","","- C128 H208 Co4 N40 O76 P8 -","- C128 H120 Co4 N32 O25 P8 -","- C256 H240 Co8 N64 O50 P16 -","2","0.125","","Srivastava, Anant Kumar; Vijayakanth, Thangavel; Divya, Pillutla; Praveenkumar, B.; Steiner, Alexander; Boomishankar, Ramamoorthy","Altering polarization attributes in ferroelectric metallo-cavitands by varying hydrated alkali-metal guest cations","Journal of Materials Chemistry C","2017","5","29","7352","","10.1039/C7TC01758H","","","0.71073","MoKα","","0.1589","0.0861","","","0.2665","0.3228","","","","","","1.058","","","","has coordinates,has disorder","236525","2020-10-21","18:00:00",""
"7236799","24.58","0.003","24.58","0.003","17.611","0.003","90","","90","","90","","10640","3","100","2","100","2","","","","","","","","7","I 4 2 2","I 4 2","97","","","","- C128 H206 Co4 Cs N41 O78 P8 -","- C128 H120 Co4 Cs N32 O25.992 P8 -","- C256 H240 Co8 Cs2 N64 O51.984 P16 -","2","0.125","","Srivastava, Anant Kumar; Vijayakanth, Thangavel; Divya, Pillutla; Praveenkumar, B.; Steiner, Alexander; Boomishankar, Ramamoorthy","Altering polarization attributes in ferroelectric metallo-cavitands by varying hydrated alkali-metal guest cations","Journal of Materials Chemistry C","2017","5","29","7352","","10.1039/C7TC01758H","","","0.71073","MoKα","","0.0556","0.0375","","","0.1002","0.1133","","","","","","1.028","","","","has coordinates,has disorder","236525","2020-10-21","18:00:00",""
"7236800","24.81","0.002","24.81","0.002","17.8094","0.0015","90","","90","","90","","10962.3","1.6","100","2","100","2","","","","","","","","6","I 4 2 2","I 4 2","97","","","","- C128 H204 N40 Ni4 O74 P8 -","- C128 H120 N32 Ni4 O25 P8 -","- C256 H240 N64 Ni8 O50 P16 -","2","0.125","","Srivastava, Anant Kumar; Vijayakanth, Thangavel; Divya, Pillutla; Praveenkumar, B.; Steiner, Alexander; Boomishankar, Ramamoorthy","Altering polarization attributes in ferroelectric metallo-cavitands by varying hydrated alkali-metal guest cations","Journal of Materials Chemistry C","2017","5","29","7352","","10.1039/C7TC01758H","","","0.71073","MoKα","","0.1308","0.0668","","","0.1981","0.2478","","","","","","1.066","","","","has coordinates,has disorder","236525","2020-10-21","18:00:00",""
"7236801","24.524","0.012","24.524","0.012","17.661","0.008","90","","90","","90","","10622","9","100","2","100","2","","","","","","","","7","I 4 2 2","I 4 2","97","","","","- C128 H202.5 Co4 N40.25 Na0.25 O74 P8 -","- C128 H120 Co4 N32 Na0.25 O22.25 P8 -","- C256 H240 Co8 N64 Na0.5 O44.5 P16 -","2","0.125","","Srivastava, Anant Kumar; Vijayakanth, Thangavel; Divya, Pillutla; Praveenkumar, B.; Steiner, Alexander; Boomishankar, Ramamoorthy","Altering polarization attributes in ferroelectric metallo-cavitands by varying hydrated alkali-metal guest cations","Journal of Materials Chemistry C","2017","5","29","7352","","10.1039/C7TC01758H","","","0.71073","MoKα","","0.2055","0.0879","","","0.2355","0.3072","","","","","","0.947","","","","has coordinates,has disorder","236525","2020-10-21","18:00:00",""
"7236802","24.382","0.002","24.382","0.002","17.522","0.003","90","","90","","90","","10417","2","100","2","100","2","","","","","","","","7","I 4 2 2","I 4 2","97","","","","- C128 H186 K N41 Ni4 O68 P8 -","- C128 H120 K N32 Ni4 O24 P8 -","- C256 H240 K2 N64 Ni8 O48 P16 -","2","0.125","","Srivastava, Anant Kumar; Vijayakanth, Thangavel; Divya, Pillutla; Praveenkumar, B.; Steiner, Alexander; Boomishankar, Ramamoorthy","Altering polarization attributes in ferroelectric metallo-cavitands by varying hydrated alkali-metal guest cations","Journal of Materials Chemistry C","2017","5","29","7352","","10.1039/C7TC01758H","","","0.71073","MoKα","","0.09","0.0495","","","0.1333","0.1602","","","","","","1.036","","","","has coordinates,has disorder","236525","2020-10-21","18:00:00",""
"7236803","24.57","0.008","24.57","0.008","17.699","0.007","90","","90","","90","","10685","6","100","2","100","2","","","","","","","","7","I 4 2 2","I 4 2","97","","","","- C128 H194 N41 Ni4 O72 P8 Rb -","- C128 H120 N32 Ni4 O25 P8 Rb -","- C256 H240 N64 Ni8 O50 P16 Rb2 -","2","0.125","","Srivastava, Anant Kumar; Vijayakanth, Thangavel; Divya, Pillutla; Praveenkumar, B.; Steiner, Alexander; Boomishankar, Ramamoorthy","Altering polarization attributes in ferroelectric metallo-cavitands by varying hydrated alkali-metal guest cations","Journal of Materials Chemistry C","2017","5","29","7352","","10.1039/C7TC01758H","","","0.71073","MoKα","","0.1893","0.0618","","","0.1452","0.1943","","","","","","0.963","","","","has coordinates,has disorder","236525","2020-10-21","18:00:00",""
"7236804","24.399","0.007","24.399","0.007","17.576","0.005","90","","90","","90","","10463","5","100","2","100","2","","","","","","","","7","I 4 2 2","I 4 2","97","","","","- C128 H189.5 N40.25 Na0.25 Ni4 O67.5 P8 -","- C128 H120 N32 Na0.25 Ni4 O22.75 P8 -","- C256 H240 N64 Na0.5 Ni8 O45.5 P16 -","2","0.125","","Srivastava, Anant Kumar; Vijayakanth, Thangavel; Divya, Pillutla; Praveenkumar, B.; Steiner, Alexander; Boomishankar, Ramamoorthy","Altering polarization attributes in ferroelectric metallo-cavitands by varying hydrated alkali-metal guest cations","Journal of Materials Chemistry C","2017","5","29","7352","","10.1039/C7TC01758H","","","0.71073","MoKα","","0.0653","0.052","","","0.1496","0.1664","","","","","","1.081","","","","has coordinates,has disorder","236525","2020-10-21","18:00:00",""
"7236805","24.404","0.004","24.404","0.004","17.589","0.003","90","","90","","90","","10475","3","100","2","100","2","","","","","","","","7","I 4 2 2","I 4 2","97","","","","- C128 H198 Co4 K N41 O74 P8 -","- C128 H120 Co4 K N32 O24 P8 -","- C256 H240 Co8 K2 N64 O48 P16 -","2","0.125","","Srivastava, Anant Kumar; Vijayakanth, Thangavel; Divya, Pillutla; Praveenkumar, B.; Steiner, Alexander; Boomishankar, Ramamoorthy","Altering polarization attributes in ferroelectric metallo-cavitands by varying hydrated alkali-metal guest cations","Journal of Materials Chemistry C","2017","5","29","7352","","10.1039/C7TC01758H","","","0.71073","MoKα","","0.1907","0.0692","","","0.1819","0.2402","","","","","","0.977","","","","has coordinates,has disorder","236525","2020-10-21","18:00:00",""
"7236806","24.507","0.006","24.507","0.006","17.716","0.006","90","","90","","90","","10640","5","100","2","100","2","","","","","","","","7","I 4 2 2","I 4 2","97","","","","- C128 H200 Co4 Li N41 O75 P8 -","- C128 H120 Co4 Li N32 O23 P8 -","- C256 H240 Co8 Li2 N64 O46 P16 -","2","0.125","","Srivastava, Anant Kumar; Vijayakanth, Thangavel; Divya, Pillutla; Praveenkumar, B.; Steiner, Alexander; Boomishankar, Ramamoorthy","Altering polarization attributes in ferroelectric metallo-cavitands by varying hydrated alkali-metal guest cations","Journal of Materials Chemistry C","2017","5","29","7352","","10.1039/C7TC01758H","","","0.71073","MoKα","","0.2302","0.0876","","","0.2399","0.3234","","","","","","0.964","","","","has coordinates,has disorder","236525","2020-10-21","18:00:00",""
"7236807","24.222","0.007","24.222","0.007","17.62","0.004","90","","90","","90","","10338","5","100","2","100","2","","","","","","","","7","I 4 2 2","I 4 2","97","","","","- C128 H183 Li N41 Ni4 O66.5 P8 -","- C128 H120 Li N32 Ni4 O23 P8 -","- C256 H240 Li2 N64 Ni8 O46 P16 -","2","0.125","","Srivastava, Anant Kumar; Vijayakanth, Thangavel; Divya, Pillutla; Praveenkumar, B.; Steiner, Alexander; Boomishankar, Ramamoorthy","Altering polarization attributes in ferroelectric metallo-cavitands by varying hydrated alkali-metal guest cations","Journal of Materials Chemistry C","2017","5","29","7352","","10.1039/C7TC01758H","","","0.71073","MoKα","","0.1889","0.0693","","","0.1823","0.2468","","","","","","0.996","","","","has coordinates,has disorder","236525","2020-10-21","18:00:00",""
"7236808","24.651","0.003","24.651","0.003","17.773","0.002","90","","90","","90","","10800","2","100","2","100","2","","","","","","","","7","I 4 2 2","I 4 2","97","","","","- C128 H208 Co4 N41 O79 P8 Rb -","- C128 H120 Co4 N32 O25 P8 Rb -","- C256 H240 Co8 N64 O50 P16 Rb2 -","2","0.125","","Srivastava, Anant Kumar; Vijayakanth, Thangavel; Divya, Pillutla; Praveenkumar, B.; Steiner, Alexander; Boomishankar, Ramamoorthy","Altering polarization attributes in ferroelectric metallo-cavitands by varying hydrated alkali-metal guest cations","Journal of Materials Chemistry C","2017","5","29","7352","","10.1039/C7TC01758H","","","0.71073","MoKα","","0.0749","0.0503","","","0.1431","0.1623","","","","","","1.044","","","","has coordinates,has disorder","236525","2020-10-21","18:00:00",""
"7236809","24.462","0.006","24.462","0.006","17.608","0.005","90","","90","","90","","10536","5","100","2","100","2","","","","","","","","7","I 4 2 2","I 4 2","97","","","","- C128 H190 Cs N41 Ni4 O70 P8 -","- C128 H120 Cs N32 Ni4 O26.008 P8 -","- C256 H240 Cs2 N64 Ni8 O52.016 P16 -","2","0.125","","Srivastava, Anant Kumar; Vijayakanth, Thangavel; Divya, Pillutla; Praveenkumar, B.; Steiner, Alexander; Boomishankar, Ramamoorthy","Altering polarization attributes in ferroelectric metallo-cavitands by varying hydrated alkali-metal guest cations","Journal of Materials Chemistry C","2017","5","29","7352","","10.1039/C7TC01758H","","","0.71073","MoKα","","0.0952","0.0446","","","0.1121","0.1368","","","","","","1.032","","","","has coordinates,has disorder","236525","2020-10-21","18:00:00",""
"7236810","13.862","0.003","7.756","0.0016","27.693","0.006","90","","90","","90","","2977.4","1.1","173","2","173","2","","","","","","","","4","P b c n","-P 2n 2ab","60","","","","- C38 H14 F10 S2 -","- C38 H14 F10 S2 -","- C152 H56 F40 S8 -","4","0.5","","Li, Jinfeng; Ni, Zhenjie; Zhang, Xiaotao; Li, Rongjin; Dong, Huanli; Hu, Wenping","Enhanced stability of a rubrene analogue with a brickwork packing motif","Journal of Materials Chemistry C","2017","5","33","8376","","10.1039/C7TC01790A","","","0.71073","MoKα","","0.1336","0.1122","","","0.1644","0.1717","","","","","","1.378","","","","has coordinates,has disorder","236529","2020-10-21","18:00:00",""
"7236811","7.894","0.002","10.124","0.003","17.373","0.005","90.685","0.008","91.955","0.008","90.136","0.01","1387.5","0.7","123","","123","","","","","","","","","3","P -1","-P 1","2","U-BBTT-8","2,10-dioctyl-bis(benzo[4,5]thieno)[2,3-b:3',2'-d]thiophene","","- C32 H40 S3 -","- C32 H40 S3 -","- C64 H80 S6 -","2","1","","Mori, Tatsuya; Oyama, Tatsuya; Komiyama, Hideaki; Yasuda, Takuma","Solution-grown unidirectionally oriented crystalline thin films of a U-shaped thienoacene-based semiconductor for high-performance organic field-effect transistors","Journal of Materials Chemistry C","2017","5","24","5872","","10.1039/C7TC01836C","","","0.71075","MoKα","","0.0613","0.0526","","","0.123","0.1293","","","","","","1.132","","","","has coordinates","236531","2020-10-21","18:00:00",""
"7236812","17.5869","0.0009","11.4858","0.0006","20.3691","0.0013","90","","92.352","0.005","90","","4111.1","0.4","150","2","150","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C47 H52 Br2 N2 O2 -","- C47 H52 Br2 N2 O2 -","- C188 H208 Br8 N8 O8 -","4","2","","Skórka, Łukasz; Mouesca, Jean-Marie; Gosk, Jacek B.; Puźniak, Roman; Pécaut, Jacques; Maurel, Vincent; Kulszewicz-Bajer, Irena","Towards enhancing spin states in doped arylamine compounds through extended planarity of the spin coupling moieties","Journal of Materials Chemistry C","2017","5","26","6563","","10.1039/C7TC01932G","","","0.71073","MoKα","","0.1269","0.0766","","","0.158","0.1851","","","","","","1.054","","","","has coordinates,has disorder","236533","2020-10-21","18:00:00",""
"7236813","11.152","0.002","9.6889","0.0019","30.579","0.006","90","","97.11","0.03","90","","3278.7","1.1","173.15","","173.15","","","","","","","","","3","C 1 c 1","C -2yc","9","","","","- C22 H20 N2 -","- C22 H20 N2 -","- C176 H160 N16 -","8","2","","Li, Zhi-Zhou; Wang, Xue-Dong; Liao, Liang-Sheng","Luminescence-/morphology-modulation of organic microcrystals by a protonation process","Journal of Materials Chemistry C","2017","5","27","6661","","10.1039/C7TC02013A","","","0.71073","MoKα","","0.1216","0.0977","","","0.2233","0.2441","","","","","","1.071","","","","has coordinates","236535","2020-10-21","18:00:00",""
"7236814","16.287","0.012","9.623","0.007","15.636","0.012","90","","113.41","0.04","90","","2249","3","103","2","103","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C12 H30 Cl6 Mn N2 O2 -","- C12 H30 Cl6 Mn N2 O2 -","- C48 H120 Cl24 Mn4 N8 O8 -","4","0.5","","Xu, Chang; Zhang, Wan-Ying; Chen, Cheng; Ye, Qiong; Fu, Da-Wei","Fast and slow integrated single-molecule dual dielectric switch based on a crystal/flexible thin film","Journal of Materials Chemistry C","2017","5","28","6945","","10.1039/C7TC02087B","","","0.71073","MoKα","","0.1234","0.0951","","","0.3279","0.3454","","","","","","1.131","","","","has coordinates","236537","2020-10-21","18:00:00",""
"7236815","16.394","0.016","9.763","0.009","15.901","0.015","90","","112.971","0.014","90","","2343","4","293","2","293","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C12 H30 Cl6 Mn N2 O2 -","- C12 H30 Cl6 Mn N2 O2 -","- C48 H120 Cl24 Mn4 N8 O8 -","4","0.5","","Xu, Chang; Zhang, Wan-Ying; Chen, Cheng; Ye, Qiong; Fu, Da-Wei","Fast and slow integrated single-molecule dual dielectric switch based on a crystal/flexible thin film","Journal of Materials Chemistry C","2017","5","28","6945","","10.1039/C7TC02087B","","","0.71073","MoKα","","0.1319","0.0919","","","0.3246","0.3462","","","","","","1.122","","","","has coordinates,has disorder","236537","2020-10-21","18:00:00",""
"7236816","16.44","0.003","9.787","0.002","15.935","0.003","90","","113.23","0.03","90","","2356.1","0.9","293","2","293","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C12 H30 Cd Cl6 N2 O2 -","- C12 H30 Cd Cl6 N2 O2 -","- C48 H120 Cd4 Cl24 N8 O8 -","4","0.5","","Xu, Chang; Zhang, Wan-Ying; Chen, Cheng; Ye, Qiong; Fu, Da-Wei","Fast and slow integrated single-molecule dual dielectric switch based on a crystal/flexible thin film","Journal of Materials Chemistry C","2017","5","28","6945","","10.1039/C7TC02087B","","","0.71073","MoKα","","0.0881","0.076","","","0.2056","0.2154","","","","","","1.052","","","","has coordinates,has disorder","236537","2020-10-21","18:00:00",""
"7236817","16.407","0.014","9.691","0.007","15.708","0.013","90","","113.897","0.013","90","","2283","3","","","","","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C12 H29 Cd Cl6 N2 O2 -","- C12 H29 Cd Cl6 N2 O2 -","- C48 H116 Cd4 Cl24 N8 O8 -","4","0.5","","Xu, Chang; Zhang, Wan-Ying; Chen, Cheng; Ye, Qiong; Fu, Da-Wei","Fast and slow integrated single-molecule dual dielectric switch based on a crystal/flexible thin film","Journal of Materials Chemistry C","2017","5","28","6945","","10.1039/C7TC02087B","","","","","","0.119","","","","","","","","","","","","","","","has coordinates","236537","2020-10-21","18:00:00",""
"7236818","14.917","0.002","24.663","0.003","20.762","0.003","90","","93.468","0.005","90","","7624.3","1.8","296","2","296","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C96 H67 B2 F4 N2 O6 -","- C93.93 H63.93 B2 F4 N2 O4 -","- C375.72 H255.72 B8 F16 N8 O16 -","4","1","","Qi, Yunpeng; Wang, Yongtao; Ge, Guixian; Liu, Zhiyong; Yu, Yongjiang; Xue, Mei","Multi-state emission properties and the inherent mechanism of D‒A‒D type asymmetric organic boron complexes","Journal of Materials Chemistry C","2017","5","42","11030","","10.1039/C7TC02115A","","","0.71073","MoKα","","0.2519","0.1566","","","0.4443","0.4941","","","","","","1.481","","","","has coordinates,has disorder","236539","2020-10-21","18:00:00",""
"7236819","8.3426","0.0009","11.4056","0.0011","19.6777","0.0018","81.77","0.003","84.375","0.003","87.955","0.004","1843.7","0.3","296","2","296","2","","","","","","","","6","P -1","-P 1","2","","","","- C47 H32 B F2 N O2 -","- C47 H32 B F2 N O2 -","- C94 H64 B2 F4 N2 O4 -","2","1","","Qi, Yunpeng; Wang, Yongtao; Ge, Guixian; Liu, Zhiyong; Yu, Yongjiang; Xue, Mei","Multi-state emission properties and the inherent mechanism of D‒A‒D type asymmetric organic boron complexes","Journal of Materials Chemistry C","2017","5","42","11030","","10.1039/C7TC02115A","","","0.71073","MoKα","","0.1148","0.0558","","","0.1287","0.1613","","","","","","0.967","","","","has coordinates","236541","2020-10-21","18:00:00",""
"7236820","8.393","0.005","11.122","0.007","21.214","0.013","97.698","0.017","96.901","0.015","91.598","0.018","1946","2","296","2","296","2","","","","","","","","6","P -1","-P 1","2","","","","- C49 H38 B F2 N O2 -","- C49 H38 B F2 N O2 -","- C98 H76 B2 F4 N2 O4 -","2","1","","Qi, Yunpeng; Wang, Yongtao; Ge, Guixian; Liu, Zhiyong; Yu, Yongjiang; Xue, Mei","Multi-state emission properties and the inherent mechanism of D‒A‒D type asymmetric organic boron complexes","Journal of Materials Chemistry C","2017","5","42","11030","","10.1039/C7TC02115A","","","0.71073","MoKα","","0.2587","0.114","","","0.3079","0.3985","","","","","","0.937","","","","has coordinates","236543","2020-10-21","18:00:00",""
"7236821","16.542","0.0013","13.6955","0.0011","23.0919","0.0019","90","","97.4996","0.0013","90","","5186.7","0.7","296","2","296","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","(tnt-iq)2Irtpip","Bis(1-(2,6-bis(trifluoromethyl)pyridin-4-yl)isoquinoline)(tetraphenylimidodiphosphinate)iridium(III)","","- C56 H34 F12 Ir N5 O2 P2 -","- C56 H34 F12 Ir N5 O2 P2 -","- C224 H136 F48 Ir4 N20 O8 P8 -","4","1","","Han, Hua-Bo; Cui, Rong-Zhen; Jing, Yi-Ming; Lu, Guang-Zhao; Zheng, You-Xuan; Zhou, Liang; Zuo, Jing-Lin; Zhang, Hongjie","Highly efficient orange-red electroluminescence of iridium complexes with good electron mobility","Journal of Materials Chemistry C","2017","5","32","8150","","10.1039/C7TC02117H","","","0.71073","MoKα","","0.0501","0.0387","","","0.1013","0.1081","","","","","","1.036","","","","has coordinates","236545","2020-10-21","18:00:00",""
"7236822","21.9704","0.0009","16.6574","0.0007","13.7024","0.0006","90","","90","","90","","5014.7","0.4","296","2","296","2","","","","","","","","7","P n a 21","P 2c -2n","33","(tnt-qzl)2Irtpip","Bis(4-(2,6-bis(trifluoromethyl)pyridin-4-yl)quinazoline)(tetraphenylimidodiphosphinate)iridium(III)","","- C54 H34 F12 Ir N7 O2 P2 -","- C54 H32 F12 Ir N7 O2 P2 -","- C216 H128 F48 Ir4 N28 O8 P8 -","4","1","","Han, Hua-Bo; Cui, Rong-Zhen; Jing, Yi-Ming; Lu, Guang-Zhao; Zheng, You-Xuan; Zhou, Liang; Zuo, Jing-Lin; Zhang, Hongjie","Highly efficient orange-red electroluminescence of iridium complexes with good electron mobility","Journal of Materials Chemistry C","2017","5","32","8150","","10.1039/C7TC02117H","","","0.71073","MoKα","","0.046","0.0328","","","0.0637","0.0673","","","","","","1.002","","","","has coordinates","236545","2020-10-21","18:00:00",""
"7236823","14.8734","0.0009","5.0259","0.0003","9.8407","0.0006","90","","102.44","0.0019","90","","718.34","0.08","100","2","100","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C22 H14 N2 -","- C22 H14 N2 -","- C44 H28 N4 -","2","0.5","","Más-Montoya, Miriam; Cerón-Carrasco, José Pedro; Hamao, Shino; Eguchi, Ritsuko; Kubozono, Yoshihiro; Tárraga, Alberto; Curiel, David","Synthesis and characterization of carbazolo[2,1-a]carbazole in thin film and single crystal field-effect transistors","Journal of Materials Chemistry C","2017","5","28","7020","","10.1039/C7TC02139A","","","0.71073","MoKα","","0.0474","0.0411","","","0.1071","0.112","","","","","","1.018","","","","has coordinates","236547","2020-10-21","18:00:00",""
"7236824","12.2141","0.0005","12.5271","0.0004","12.7251","0.0005","75.765","0.003","84.072","0.002","71.946","0.003","1793.56","0.12","173","1","173","1","","","","","","","","8","P -1","-P 1","2","","","","- C39 H37 F5 N O3 P Pt Si -","- C39 H37 F5 N O3 P Pt Si -","- C78 H74 F10 N2 O6 P2 Pt2 Si2 -","2","1","","Ezquerro, C.; Sepúlveda, A. E.; Grau-Atienza, A.; Serrano, E.; Lalinde, E.; Berenguer, J. R.; García-Martínez, J.","Organometallic phosphors as building blocks in sol‒gel chemistry: luminescent organometallo-silica materials","Journal of Materials Chemistry C","2017","5","37","9721","","10.1039/C7TC02188G","","x-ray","0.71073","MoKα","","0.0306","0.0296","","","0.0812","0.0821","","","","","","1.089","","","","has coordinates,has disorder","236548","2020-10-21","18:00:00",""
"7236825","18.8657","0.0014","7.6482","0.0004","31.436","0.002","90","","90","","90","","4535.9","0.5","200","2","200","2","","","","","","","","2","P b c a","-P 2ac 2ab","61","","TBH","","- C38 H20 -","- C38 H20 -","- C304 H160 -","8","1","","Huang, Ding-Chi; Kuo, Chi-Hsien; Ho, Man-Tzu; Lin, Bo-Chao; Peng, Wei-Tao; Chao, Ito; Hsu, Chao-Ping; Tao, Yu-Tai","Contorted tetrabenzoacenes of varied conjugation: charge transport study with single-crystal field-effect transistors","Journal of Materials Chemistry C","2017","5","31","7935","","10.1039/C7TC02254A","","","0.71073","MoKα","","0.1293","0.0554","","","0.1369","0.1865","","","","","","0.975","","","","has coordinates","236550","2020-10-21","18:00:00",""
"7236826","13.1759","0.0003","7.4913","0.0002","18.1519","0.0005","90","","100.99","0.001","90","","1758.82","0.08","100","0.1","100","0.1","","","","","","","","2","P 1 21/n 1","-P 2yn","14","","TBT","","- C30 H16 -","- C30 H16 -","- C120 H64 -","4","1","","Huang, Ding-Chi; Kuo, Chi-Hsien; Ho, Man-Tzu; Lin, Bo-Chao; Peng, Wei-Tao; Chao, Ito; Hsu, Chao-Ping; Tao, Yu-Tai","Contorted tetrabenzoacenes of varied conjugation: charge transport study with single-crystal field-effect transistors","Journal of Materials Chemistry C","2017","5","31","7935","","10.1039/C7TC02254A","","","0.71073","MoKα","","0.0636","0.0419","","","0.1029","0.1152","","","","","","1.027","","","","has coordinates","236550","2020-10-21","18:00:00",""
"7236827","31.9402","0.0019","3.8977","0.0002","23.9483","0.0014","90","","116.35","0.004","90","","2671.6","0.3","296","2","296","2","","","","","","","","2","C 1 2/c 1","-C 2yc","15","","TBO","","- C46 H24 -","- C46 H24 -","- C184 H96 -","4","0.5","","Huang, Ding-Chi; Kuo, Chi-Hsien; Ho, Man-Tzu; Lin, Bo-Chao; Peng, Wei-Tao; Chao, Ito; Hsu, Chao-Ping; Tao, Yu-Tai","Contorted tetrabenzoacenes of varied conjugation: charge transport study with single-crystal field-effect transistors","Journal of Materials Chemistry C","2017","5","31","7935","","10.1039/C7TC02254A","","","0.71073","MoKα","","0.2123","0.0804","","","0.1938","0.2895","","","","","","0.873","","","","has coordinates","236550","2020-10-21","18:00:00",""
"7236828","12.1404","0.0004","7.5623","0.0002","17.6416","0.0005","90","","97.621","0.002","90","","1605.36","0.08","100","0.1","100","0.1","","","","","","","","2","P 1 21/n 1","-P 2yn","14","","TBN","","- C26 H16 -","- C26 H16 -","- C104 H64 -","4","1","","Huang, Ding-Chi; Kuo, Chi-Hsien; Ho, Man-Tzu; Lin, Bo-Chao; Peng, Wei-Tao; Chao, Ito; Hsu, Chao-Ping; Tao, Yu-Tai","Contorted tetrabenzoacenes of varied conjugation: charge transport study with single-crystal field-effect transistors","Journal of Materials Chemistry C","2017","5","31","7935","","10.1039/C7TC02254A","","","0.71073","MoKα","","0.0424","0.0337","","","0.0902","0.0971","","","","","","1.034","","","","has coordinates","236550","2020-10-21","18:00:00",""
"7236829","8.5256","0.0017","16.023","0.003","17.85","0.004","66.28","0.03","84.01","0.03","76.94","0.03","2174.4","1","173.15","","173.15","","","","","","","","","6","P -1","-P 1","2","","","","- C43 H0 Cl N0 O0 Pt2 -","- C47 H38 Cl4 N6 O Pt2 -","- C94 H76 Cl8 N12 O2 Pt4 -","2","1","","Gong, Zhong-Liang; Zhong, Yu-Wu; Yao, Jiannian","Regulation of intra- and intermolecular Pt‒Pt and π‒π interactions of a U-shaped diplatinum complex to achieve pseudo-polymorphic emissions in solution and crystalline states","Journal of Materials Chemistry C","2017","5","29","7222","","10.1039/C7TC02282D","","","0.71073","MoKα","","0.0775","0.0721","","","0.2234","0.2286","","","","","","1.604","","","","has coordinates","236552","2020-10-21","18:00:00",""
"7236830","8.5256","0.0017","16.023","0.003","17.85","0.008","66.275","0.008","84.005","0.011","76.938","0.01","2174.3","1.2","173.15","","173.15","","","","","","","","","6","P -1","-P 1","2","","","","- C35 H26 Cl2 N6 O Pt2 -","- C35 H26 Cl2 N6 O Pt2 -","- C70 H52 Cl4 N12 O2 Pt4 -","2","1","","Gong, Zhong-Liang; Zhong, Yu-Wu; Yao, Jiannian","Regulation of intra- and intermolecular Pt‒Pt and π‒π interactions of a U-shaped diplatinum complex to achieve pseudo-polymorphic emissions in solution and crystalline states","Journal of Materials Chemistry C","2017","5","29","7222","","10.1039/C7TC02282D","","","0.71073","MoKα","","0.0634","0.0595","","","0.1527","0.1557","","","","","","1.089","","","","has coordinates","236552","2020-10-21","18:00:00",""
"7236831","11.891","0.002","14.27","0.003","14.277","0.003","64.4","0.03","77.81","0.03","71.21","0.03","2061","0.9","173.15","","173.15","","","","","","","","","6","P -1","-P 1","2","","","","- C39 H33 Cl8 N6 O Pt2 -","- C39 H33 Cl8 N6 O Pt2 -","- C78 H66 Cl16 N12 O2 Pt4 -","2","1","","Gong, Zhong-Liang; Zhong, Yu-Wu; Yao, Jiannian","Regulation of intra- and intermolecular Pt‒Pt and π‒π interactions of a U-shaped diplatinum complex to achieve pseudo-polymorphic emissions in solution and crystalline states","Journal of Materials Chemistry C","2017","5","29","7222","","10.1039/C7TC02282D","","","0.71073","MoKα","","0.0369","0.0322","","","0.0591","0.0609","","","","","","1.147","","","","has coordinates","236552","2020-10-21","18:00:00",""
"7236832","17.353","0.002","13.8521","0.0017","25.76","0.003","90","","90","","90","","6192.1","1.3","173.15","","173.15","","","","","","","","","6","P b c n","-P 2n 2ab","60","","","","- C35 H26 Cl2 N6 O Pt2 -","- C35 H26 Cl2 N6 O Pt2 -","- C280 H208 Cl16 N48 O8 Pt16 -","8","1","","Gong, Zhong-Liang; Zhong, Yu-Wu; Yao, Jiannian","Regulation of intra- and intermolecular Pt‒Pt and π‒π interactions of a U-shaped diplatinum complex to achieve pseudo-polymorphic emissions in solution and crystalline states","Journal of Materials Chemistry C","2017","5","29","7222","","10.1039/C7TC02282D","","","0.71073","MoKα","","0.0839","0.0729","","","0.1666","0.1729","","","","","","1.216","","","","has coordinates","236552","2020-10-21","18:00:00",""
"7236833","11.5534","0.0005","12.7423","0.0006","14.4329","0.0006","96.811","0.002","104.865","0.002","105.379","0.002","1940.01","0.15","293","2","293.15","","","","","","","","","6","P -1","-P 1","2","","","","- C46 H31 Ir N5 O2 P -","- C46 H31 Ir N5 O2 P -","- C92 H62 Ir2 N10 O4 P2 -","2","1","","Zhang, Fuli; Si, Changfeng; Dong, Xiaobin; Wei, Donghui; Yang, Xin; Guo, Kunping; Wei, Bin; Li, Zhongyi; Zhang, Chi; Li, Suzhi; Zhai, Bin; Cao, Guangxiu","Iridium(iii) complexes bearing oxadiazol-substituted amide ligands: color tuning and application in highly efficient phosphorescent organic light-emitting diodes","Journal of Materials Chemistry C","2017","5","35","9146","","10.1039/C7TC02420G","","","0.71073","MoKα","","0.048","0.0391","","","0.0715","0.0747","","","","","","1.065","","","","has coordinates,has disorder","236555","2020-10-21","18:00:00",""
"7236834","10.238","0.003","10.397","0.003","12.253","0.004","84.87","0.004","70.879","0.004","66.685","0.003","1130.5","0.6","296","2","296","2","","","","","","","","5","P -1","-P 1","2","","","","- C52 H34 Cu5 N4 O20 -","- C52 H34 Cu5 N4 O20 -","- C52 H34 Cu5 N4 O20 -","1","0.5","","Zheng, Xubin; Fan, Ruiqing; Song, Yang; Wang, Ani; Xing, Kai; Du, Xi; Wang, Ping; Yang, Yulin","A highly sensitive turn-on ratiometric luminescent probe based on postsynthetic modification of Tb3+@Cu-MOF for H2S detection","Journal of Materials Chemistry C","2017","5","38","9943","","10.1039/C7TC02430D","","","0.71073","MoKα","","0.0593","0.049","","","0.1462","0.1518","","","","","","1.044","","","","has coordinates","236557","2020-10-21","18:00:00",""
"7236835","9.712","0.013","9.17","0.012","13.806","0.019","90","","107.846","0.016","90","","1170","3","296","2","296","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C26 H16 Cu N2 O10 -","- C26 H16 Cu N2 O10 -","- C52 H32 Cu2 N4 O20 -","2","0.5","","Zheng, Xubin; Fan, Ruiqing; Song, Yang; Wang, Ani; Xing, Kai; Du, Xi; Wang, Ping; Yang, Yulin","A highly sensitive turn-on ratiometric luminescent probe based on postsynthetic modification of Tb3+@Cu-MOF for H2S detection","Journal of Materials Chemistry C","2017","5","38","9943","","10.1039/C7TC02430D","","","0.71073","MoKα","","0.0464","0.0343","","","0.1025","0.1213","","","","","","0.871","","","","has coordinates","236557","2020-10-21","18:00:00",""
"7236836","9.3476","0.0001","34.3019","0.0005","10.7754","0.0002","90","","105.905","0.001","90","","3322.76","0.09","293","2","293","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","BmPOPB","","","- C42 H34 O3 P2 -","- C42 H34 O3 P2 -","- C168 H136 O12 P8 -","4","1","","Zhang, Qing; Wang, Bo; Tan, Jianghong; Mu, Guangyuan; Yi, Wei; Lv, Xialei; Zhuang, Shaoqing; Liu, Wei; Wang, Lei","Optimized electron-transport material based on m-terphenyl-diphenylphosphine oxide with the harmonious compatibility of high ET and electron mobility for highly efficient OLEDs","Journal of Materials Chemistry C","2017","5","33","8516","","10.1039/C7TC02459B","","","0.71073","MoKα","","0.0443","0.035","","","0.0821","0.0876","","","","","","1.027","","","","has coordinates","236558","2020-10-21","18:00:00",""
"7236837","9.312","0.0014","10.7746","0.0016","19.176","0.003","101.083","0.002","96.617","0.003","111.519","0.002","1719.8","0.5","293","2","293","2","","","","","","","","4","P -1","-P 1","2","BpPOPB","BpPOPB","","- C42 H36 O4 P2 -","- C42 H32 O4 P2 -","- C84 H64 O8 P4 -","2","1","","Zhang, Qing; Wang, Bo; Tan, Jianghong; Mu, Guangyuan; Yi, Wei; Lv, Xialei; Zhuang, Shaoqing; Liu, Wei; Wang, Lei","Optimized electron-transport material based on m-terphenyl-diphenylphosphine oxide with the harmonious compatibility of high ET and electron mobility for highly efficient OLEDs","Journal of Materials Chemistry C","2017","5","33","8516","","10.1039/C7TC02459B","","","0.71073","MoKα","","0.0647","0.0576","","","0.1582","0.1634","","","","","","1.091","","","","has coordinates,has disorder","236558","2020-10-21","18:00:00",""
"7236838","9.7167","0.0003","17.316","0.0006","21.7331","0.0007","90","","102.549","0.003","90","","3569.3","0.2","293","2","293.15","","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","lgc-108","","- C35 H39 F6 N O4 P S2 -","- C35 H39 F6 N O4 P S2 -","- C140 H156 F24 N4 O16 P4 S8 -","4","1","","Li, Gaocan; Xu, Yangyang; Kong, Qunshou; Zhuang, Weihua; Wang, Yunbing","Cation‒anion interaction directed dual-mode switchable mechanochromic luminescence","Journal of Materials Chemistry C","2017","5","33","8527","","10.1039/C7TC02497E","","x-ray","0.71073","MoKα","","0.1325","0.0939","","","0.2622","0.2986","","","","","","1.033","","","","has coordinates,has disorder","236563","2020-10-21","18:00:00",""
"7236839","18.0756","0.001","9.2768","0.0005","19.0097","0.001","90","","95.079","0.005","90","","3175.1","0.3","293","2","293.15","","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","lgc-107","","- C33 H40 Br P -","- C33 H40 Br P -","- C132 H160 Br4 P4 -","4","1","","Li, Gaocan; Xu, Yangyang; Kong, Qunshou; Zhuang, Weihua; Wang, Yunbing","Cation‒anion interaction directed dual-mode switchable mechanochromic luminescence","Journal of Materials Chemistry C","2017","5","33","8527","","10.1039/C7TC02497E","","x-ray","0.71073","MoKα","","0.1511","0.0705","","","0.1946","0.2291","","","","","","0.996","","","","has coordinates,has disorder","236563","2020-10-21","18:00:00",""
"7236840","19.3848","0.0005","18.64","0.0005","16.7392","0.0004","90","","90","","90","","6048.4","0.3","133.84","0.1","133.84","0.1","","","","","","","","4","P b c n","-P 2n 2ab","60","","TPMP PF6","","- C33 H40 F6 P2 -","- C33 H40 F6 P2 -","- C264 H320 F48 P16 -","8","1","","Li, Gaocan; Xu, Yangyang; Kong, Qunshou; Zhuang, Weihua; Wang, Yunbing","Cation‒anion interaction directed dual-mode switchable mechanochromic luminescence","Journal of Materials Chemistry C","2017","5","33","8527","","10.1039/C7TC02497E","","x-ray","1.54184","CuKα","","0.1621","0.1403","","","0.4052","0.4326","","","","","","1.759","","","","has coordinates","236563","2020-10-21","18:00:00",""
"7236841","38.906","0.01","9.493","0.002","27.486","0.007","90","","102.749","0.005","90","","9901","4","130","2","130","","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","TPEtetracylhydrazine macrocycle","","- C52 H54 N2 O5 -","- C52 H54 N2 O5 -","- C416 H432 N16 O40 -","8","1","","Xie, Wen-Zhao; Zhang, Hong-Chao; Zheng, Yan-Song","Tetraphenylethylene tetracylhydrazine macrocycle with capability for discrimination of n-propanol from i-propanol and highly sensitive/selective detection of nitrobenzene","J. Mater. Chem. C","2017","5","40","10462","","10.1039/C7TC02525D","","","0.71073","MoKα","","0.1386","0.0838","","","0.2378","0.2675","","","","","","0.985","","","","has coordinates","236565","2020-10-21","18:00:00",""
"7236842","12.9931","0.0005","11.3571","0.0004","15.9701","0.0006","90","","109.323","0.002","90","","2223.86","0.15","100","2","100","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C52 H56 S2 Si2 -","- C52 H56 S2 Si2 -","- C104 H112 S4 Si4 -","2","0.5","","Koldemir, Unsal; Tinkham, Jonathan S.; Johnson, Robert; Lim, Bogyu; Yemam, Henok A.; Gagnon, Kevin J.; Parkin, Sean; Sellinger, Alan","Orthogonal 4,10 and 6,12 substitution of dibenzo[def,mno]chrysene polycyclic aromatic small molecules","Journal of Materials Chemistry C","2017","5","34","8723","","10.1039/C7TC02528A","","","0.8857","","","0.0871","0.0504","","","0.1194","0.1375","","","","","","1.03","","","","has coordinates,has disorder","236567","2020-10-21","18:00:00",""
"7236843","8.5286","0.0008","13.2963","0.0016","15.0772","0.0019","64.392","0.009","89.43","0.009","89.359","0.008","1541.7","0.3","90","0.2","90","0.2","","","","","","","","5","P -1","-P 1","2","","","","- C76 H86 N2 O4 Si2 -","- C76 H86 N2 O4 Si2 -","- C76 H86 N2 O4 Si2 -","1","0.5","","Koldemir, Unsal; Tinkham, Jonathan S.; Johnson, Robert; Lim, Bogyu; Yemam, Henok A.; Gagnon, Kevin J.; Parkin, Sean; Sellinger, Alan","Orthogonal 4,10 and 6,12 substitution of dibenzo[def,mno]chrysene polycyclic aromatic small molecules","Journal of Materials Chemistry C","2017","5","34","8723","","10.1039/C7TC02528A","","","1.54178","CuKα","","0.1175","0.062","","","0.136","0.1619","","","","","","1.029","","","","has coordinates","236567","2020-10-21","18:00:00",""
"7236844","7.26244","0.00011","17.2417","0.0003","11.68246","0.00015","90","","95.8807","0.0014","90","","1455.14","0.04","99.9","0.4","99.9","0.4","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","BMO-PM","(Z)-4-((4'-methoxy-[1,1'-biphenyl]-4-yl)methylene)-2-methyloxazol-5(4H)-one","","- C18 H15 N O3 -","- C18 H15 N O3 -","- C72 H60 N4 O12 -","4","1","","Jiang, Meijuan; He, Zikai; Zhang, Yilin; Sung, Herman H. Y.; Lam, Jacky W. Y.; Peng, Qian; Yan, Yongli; Wong, Kam Sing; Williams, Ian D.; Zhao, Yongsheng; Tang, Ben Zhong","Development of benzylidene-methyloxazolone based AIEgens and decipherment of their working mechanism","Journal of Materials Chemistry C","2017","5","29","7191","","10.1039/C7TC02582C","","x-ray","1.5418","CuKα","","0.0296","0.028","","","0.0722","0.0733","","","","","","1.002","","","","has coordinates","236570","2020-10-21","18:00:00",""
"7236845","9.3274","0.0004","16.6999","0.0005","14.2408","0.0005","90","","95.215","0.004","90","","2209.06","0.14","99.9","0.5","99.9","0.5","","","","","","","","4","P 1 21/n 1","-P 2yn","14","TPA-BMO","(Z)-4-((4'-(diphenylamino)-[1,1'-biphenyl]-4-yl)methylene)-2-methyloxazol-5(4H)-one","","- C29 H22 N2 O2 -","- C29 H22 N2 O2 -","- C116 H88 N8 O8 -","4","1","","Jiang, Meijuan; He, Zikai; Zhang, Yilin; Sung, Herman H. Y.; Lam, Jacky W. Y.; Peng, Qian; Yan, Yongli; Wong, Kam Sing; Williams, Ian D.; Zhao, Yongsheng; Tang, Ben Zhong","Development of benzylidene-methyloxazolone based AIEgens and decipherment of their working mechanism","Journal of Materials Chemistry C","2017","5","29","7191","","10.1039/C7TC02582C","","x-ray","1.5418","CuKα","","0.0529","0.0349","","","0.0844","0.0888","","","","","","1.003","","","","has coordinates","236570","2020-10-21","18:00:00",""
"7236846","10.82841","0.00014","7.84591","0.0001","20.9791","0.0003","90","","90","","90","","1782.36","0.04","99.9","0.4","99.9","0.4","","","","","","","","4","P b c a","-P 2ac 2ab","61","BMO","(Z)-4-benzylidene-2-methyloxazol-5(4H)-one","","- C11 H9 N O2 -","- C11 H9 N O2 -","- C88 H72 N8 O16 -","8","1","","Jiang, Meijuan; He, Zikai; Zhang, Yilin; Sung, Herman H. Y.; Lam, Jacky W. Y.; Peng, Qian; Yan, Yongli; Wong, Kam Sing; Williams, Ian D.; Zhao, Yongsheng; Tang, Ben Zhong","Development of benzylidene-methyloxazolone based AIEgens and decipherment of their working mechanism","Journal of Materials Chemistry C","2017","5","29","7191","","10.1039/C7TC02582C","","x-ray","1.5418","CuKα","","0.0315","0.0301","","","0.0807","0.0817","","","","","","1.003","","","","has coordinates","236570","2020-10-21","18:00:00",""
"7236847","27.923","0.0007","11.5399","0.0002","17.5406","0.0004","90","","102.171","0.002","90","","5525","0.2","99.9","0.4","99.9","0.4","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","TPE-BMO","(Z)-2-methyl-4-((4'-(1,2,2-triphenylvinyl)-[1,1'-biphenyl]-4-yl)methylene)oxazol-5(4H)-one","","- C37 H27 N O2 -","- C37 H27 N O2 -","- C296 H216 N8 O16 -","8","2","","Jiang, Meijuan; He, Zikai; Zhang, Yilin; Sung, Herman H. Y.; Lam, Jacky W. Y.; Peng, Qian; Yan, Yongli; Wong, Kam Sing; Williams, Ian D.; Zhao, Yongsheng; Tang, Ben Zhong","Development of benzylidene-methyloxazolone based AIEgens and decipherment of their working mechanism","Journal of Materials Chemistry C","2017","5","29","7191","","10.1039/C7TC02582C","","x-ray","1.5418","CuKα","","0.0701","0.0456","","","0.1132","0.1249","","","","","","1.002","","","","has coordinates","236570","2020-10-21","18:00:00",""
"7236848","7.5049","0.0004","9.0156","0.0005","10.4168","0.0008","83.024","0.006","69.361","0.006","81.471","0.005","650.46","0.08","99.9","0.6","99.9","0.6","","","","","","","","4","P -1","-P 1","2","BMO-PF","(Z)-4-((9H-fluoren-2-yl)methylene)-2-methyloxazol-5(4H)-one","","- C18 H13 N O2 -","- C18 H13 N O2 -","- C36 H26 N2 O4 -","2","1","","Jiang, Meijuan; He, Zikai; Zhang, Yilin; Sung, Herman H. Y.; Lam, Jacky W. Y.; Peng, Qian; Yan, Yongli; Wong, Kam Sing; Williams, Ian D.; Zhao, Yongsheng; Tang, Ben Zhong","Development of benzylidene-methyloxazolone based AIEgens and decipherment of their working mechanism","Journal of Materials Chemistry C","2017","5","29","7191","","10.1039/C7TC02582C","","x-ray","1.54184","CuKα","","0.039","0.0353","","","0.0891","0.0919","","","","","","1.001","","","","has coordinates","236570","2020-10-21","18:00:00",""
"7236849","3.9036","0.0002","13.2662","0.0008","13.377","0.0009","88.642","0.005","85.39","0.005","85.977","0.005","688.68","0.07","99.9","0.4","99.9","0.4","","","","","","","","4","P -1","-P 1","2","BMO-PC","(Z)-4'-((2-methyl-5-oxooxazol-4(5H)-ylidene)methyl)-[1,1'-biphenyl]-4-carbonitrile","","- C18 H12 N2 O2 -","- C18 H12 N2 O2 -","- C36 H24 N4 O4 -","2","1","","Jiang, Meijuan; He, Zikai; Zhang, Yilin; Sung, Herman H. Y.; Lam, Jacky W. Y.; Peng, Qian; Yan, Yongli; Wong, Kam Sing; Williams, Ian D.; Zhao, Yongsheng; Tang, Ben Zhong","Development of benzylidene-methyloxazolone based AIEgens and decipherment of their working mechanism","Journal of Materials Chemistry C","2017","5","29","7191","","10.1039/C7TC02582C","","x-ray","1.5418","CuKα","","0.0417","0.0362","","","0.092","0.0974","","","","","","1.002","","","","has coordinates","236570","2020-10-21","18:00:00",""
"7236850","7.1873","0.0005","9.3467","0.0007","9.6678","0.0007","95.859","0.006","102.212","0.006","90.885","0.006","630.99","0.08","99.9","0.5","99.9","0.5","","","","","","","","4","P -1","-P 1","2","BMO-PH","(Z)-4-([1,1'-biphenyl]-4-ylmethylene)-2-methyloxazol-5(4H)-one","","- C17 H13 N O2 -","- C17 H13 N O2 -","- C34 H26 N2 O4 -","2","1","","Jiang, Meijuan; He, Zikai; Zhang, Yilin; Sung, Herman H. Y.; Lam, Jacky W. Y.; Peng, Qian; Yan, Yongli; Wong, Kam Sing; Williams, Ian D.; Zhao, Yongsheng; Tang, Ben Zhong","Development of benzylidene-methyloxazolone based AIEgens and decipherment of their working mechanism","Journal of Materials Chemistry C","2017","5","29","7191","","10.1039/C7TC02582C","","","1.5418","CuKα","","0.0334","0.0303","","","0.0773","0.0798","","","","","","1.001","","","","has coordinates","236570","2020-10-21","18:00:00",""
"7236851","11.9314","0.0008","12.5281","0.0008","14.8597","0.0011","90","","99.122","0.007","90","","2193.1","0.3","296","2","296","2","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","","","- C22 H24 B10 -","- C22 H24 B10 -","- C88 H96 B40 -","4","1","","Naito, Hirofumi; Nishino, Kenta; Morisaki, Yasuhiro; Tanaka, Kazuo; Chujo, Yoshiki","Highly-efficient solid-state emissions of anthracene‒o-carborane dyads with various substituents and their thermochromic luminescence properties","Journal of Materials Chemistry C","2017","5","38","10047","","10.1039/C7TC02682J","","","0.71075","MoKα","","0.079","0.0563","","","0.1412","0.1552","","","","","","1.055","","","","has coordinates","236574","2020-10-21","18:00:00",""
"7236852","7.4049","0.0003","10.2673","0.0004","23.6399","0.0011","90","","90","","90","","1797.3","0.13","296","2","296","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C17 H22 B10 -","- C17 H22 B10 -","- C68 H88 B40 -","4","1","","Naito, Hirofumi; Nishino, Kenta; Morisaki, Yasuhiro; Tanaka, Kazuo; Chujo, Yoshiki","Highly-efficient solid-state emissions of anthracene‒o-carborane dyads with various substituents and their thermochromic luminescence properties","Journal of Materials Chemistry C","2017","5","38","10047","","10.1039/C7TC02682J","","","0.71075","MoKα","","0.0399","0.0376","","","0.0956","0.097","","","","","","1.036","","","","has coordinates","236574","2020-10-21","18:00:00",""
"7236853","10.288","0.0004","20.7225","0.0007","15.8015","0.0006","90","","90","","90","","3368.8","0.2","93","2","93","2","","","","","","","","3","P b c a","-P 2ac 2ab","61","","","","- C16 H20 B10 -","- C16 H20 B10 -","- C128 H160 B80 -","8","1","","Naito, Hirofumi; Nishino, Kenta; Morisaki, Yasuhiro; Tanaka, Kazuo; Chujo, Yoshiki","Highly-efficient solid-state emissions of anthracene‒o-carborane dyads with various substituents and their thermochromic luminescence properties","Journal of Materials Chemistry C","2017","5","38","10047","","10.1039/C7TC02682J","","","0.71075","MoKα","","0.0602","0.05","","","0.1462","0.1792","","","","","","1.149","","","","has coordinates","236574","2020-10-21","18:00:00",""
"7236854","10.1119","0.0005","16.5353","0.0008","12.9542","0.0007","90","","90.332","0.006","90","","2165.95","0.19","93","2","93","2","","","","","","","","4","P 1 21/a 1","-P 2yab","14","","","","- C19 H28 B10 Si -","- C19 H28 B10 Si -","- C76 H112 B40 Si4 -","4","1","","Naito, Hirofumi; Nishino, Kenta; Morisaki, Yasuhiro; Tanaka, Kazuo; Chujo, Yoshiki","Highly-efficient solid-state emissions of anthracene‒o-carborane dyads with various substituents and their thermochromic luminescence properties","Journal of Materials Chemistry C","2017","5","38","10047","","10.1039/C7TC02682J","","","0.71075","MoKα","","0.058","0.0456","","","0.1147","0.1255","","","","","","0.997","","","","has coordinates","236574","2020-10-21","18:00:00",""
"7236855","10.7852","0.0007","15.126","0.0007","13.5099","0.0008","90","","100.22","0.006","90","","2169","0.2","100","0.4","100","0.4","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","AC8-100K","","- C16 H20 Br5 N2 Sb -","- C16 H20 Br5 N2 Sb -","- C64 H80 Br20 N8 Sb4 -","4","1","","Zhang, Weichuan; Sun, Zhihua; Zhang, Jing; Han, Shiguo; Ji, Chengmin; Li, Lina; Hong, Maochun; Luo, Junhua","Thermochromism to tune the optical bandgap of a lead-free perovskite-type hybrid semiconductor for efficiently enhancing photocurrent generation","Journal of Materials Chemistry C","2017","5","38","9967","","10.1039/C7TC02721D","","x-ray","0.71073","MoKα","","0.0977","0.0664","","","0.1561","0.1853","","","","","","0.999","","","","has coordinates","236578","2020-10-21","18:00:00",""
"7236856","10.9137","0.0005","15.166","0.0006","13.616","0.0005","90","","99.598","0.004","90","","2222.13","0.16","295","0.1","295","0.1","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","AC-8-450K","","- C16 H20 Br5 N2 Sb -","- C16 H20 Br5 N2 Sb -","- C64 H80 Br20 N8 Sb4 -","4","1","","Zhang, Weichuan; Sun, Zhihua; Zhang, Jing; Han, Shiguo; Ji, Chengmin; Li, Lina; Hong, Maochun; Luo, Junhua","Thermochromism to tune the optical bandgap of a lead-free perovskite-type hybrid semiconductor for efficiently enhancing photocurrent generation","Journal of Materials Chemistry C","2017","5","38","9967","","10.1039/C7TC02721D","","x-ray","0.71073","MoKα","","0.0654","0.0362","","","0.0553","0.0622","","","","","","1.017","","","","has coordinates","236578","2020-10-21","18:00:00",""
"7236857","10.8969","0.0006","15.1389","0.0008","13.6149","0.0008","90","","99.865","0.006","90","","2212.8","0.2","295","0.1","295","0.1","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","AC-8-295k","","- C16 H20 Br5 N2 Sb -","- C16 H20 Br5 N2 Sb -","- C64 H80 Br20 N8 Sb4 -","4","1","","Zhang, Weichuan; Sun, Zhihua; Zhang, Jing; Han, Shiguo; Ji, Chengmin; Li, Lina; Hong, Maochun; Luo, Junhua","Thermochromism to tune the optical bandgap of a lead-free perovskite-type hybrid semiconductor for efficiently enhancing photocurrent generation","Journal of Materials Chemistry C","2017","5","38","9967","","10.1039/C7TC02721D","","x-ray","0.71073","MoKα","","0.0567","0.0378","","","0.0793","0.0905","","","","","","1.018","","","","has coordinates","288248","2023-12-12","12:55:28",""
"7236858","10.9541","0.0003","15.1744","0.0004","13.6577","0.0004","90","","99.732","0.003","90","","2237.54","0.11","300.01","0.1","300.01","0.1","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","AC-8-300K","","- C16 H20 Br5 N2 Sb -","- C16 H20 Br5 N2 Sb -","- C64 H80 Br20 N8 Sb4 -","4","1","","Zhang, Weichuan; Sun, Zhihua; Zhang, Jing; Han, Shiguo; Ji, Chengmin; Li, Lina; Hong, Maochun; Luo, Junhua","Thermochromism to tune the optical bandgap of a lead-free perovskite-type hybrid semiconductor for efficiently enhancing photocurrent generation","Journal of Materials Chemistry C","2017","5","38","9967","","10.1039/C7TC02721D","","x-ray","0.71073","MoKα","","0.0683","0.0396","","","0.0786","0.0895","","","","","","1.026","","","","has coordinates","236578","2020-10-21","18:00:00",""
"7236859","11.0102","0.0006","15.1858","0.0008","13.6416","0.0009","90","","99.313","0.006","90","","2250.8","0.2","400.01","0.1","400.01","0.1","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","AC-8-400K","","- C16 H20 Br5 N2 Sb -","- C16 H20 Br4.999 N2 Sb -","- C64 H80 Br19.996 N8 Sb4 -","4","1","","Zhang, Weichuan; Sun, Zhihua; Zhang, Jing; Han, Shiguo; Ji, Chengmin; Li, Lina; Hong, Maochun; Luo, Junhua","Thermochromism to tune the optical bandgap of a lead-free perovskite-type hybrid semiconductor for efficiently enhancing photocurrent generation","Journal of Materials Chemistry C","2017","5","38","9967","","10.1039/C7TC02721D","","x-ray","0.71073","MoKα","","0.162","0.0887","","","0.1812","0.2256","","","","","","1.028","","","","has coordinates,has disorder","288248","2023-12-12","12:55:28",""
"7236860","14.7343","0.0014","14.7727","0.0015","15.7694","0.0015","92.545","0.003","93.186","0.002","110.15","0.002","3210","0.5","293","2","293","2","","","","","","","","4","P -1","-P 1","2","","","","- C72 H86 N6 O8 -","- C72 H86 N6 O8 -","- C144 H172 N12 O16 -","2","1","","Zhou, Yibin; Qian, Lebin; Liu, Miaochang; Huang, Xiaobo; Wang, Yuxiang; Cheng, Yixiang; Gao, Wenxia; Wu, Ge; Wu, Huayue","5-(2,6-Bis((E)-4-(dimethylamino)styryl)-1-ethylpyridin-4(1H)-ylidene)-2,2-dimethyl-1,3-dioxane-4,6-dione: aggregation-induced emission, polymorphism, mechanochromism, and thermochromism","Journal of Materials Chemistry C","2017","5","36","9264","","10.1039/C7TC02746J","","","0.71073","MoKα","","0.1284","0.0666","","","0.1672","0.2063","","","","","","0.982","","","","has coordinates","236581","2020-10-21","18:00:00",""
"7236861","11.3869","0.0007","25.0608","0.0016","10.4964","0.0008","90","","97.701","0.005","90","","2968.3","0.3","296","","296","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C33 H37 N3 O4 -","- C33 H37 N3 O4 -","- C132 H148 N12 O16 -","4","1","","Zhou, Yibin; Qian, Lebin; Liu, Miaochang; Huang, Xiaobo; Wang, Yuxiang; Cheng, Yixiang; Gao, Wenxia; Wu, Ge; Wu, Huayue","5-(2,6-Bis((E)-4-(dimethylamino)styryl)-1-ethylpyridin-4(1H)-ylidene)-2,2-dimethyl-1,3-dioxane-4,6-dione: aggregation-induced emission, polymorphism, mechanochromism, and thermochromism","Journal of Materials Chemistry C","2017","5","36","9264","","10.1039/C7TC02746J","","","1.54178","CuKα","","0.0955","0.0645","","","0.1599","0.1883","","","","","","1.032","","","","has coordinates","236581","2020-10-21","18:00:00",""
"7236862","11.2361","0.0014","24.602","0.003","10.5445","0.0014","90","","98.262","0.002","90","","2884.6","0.6","130","","130","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C33 H37 N3 O4 -","- C33 H37 N3 O4 -","- C132 H148 N12 O16 -","4","1","","Zhou, Yibin; Qian, Lebin; Liu, Miaochang; Huang, Xiaobo; Wang, Yuxiang; Cheng, Yixiang; Gao, Wenxia; Wu, Ge; Wu, Huayue","5-(2,6-Bis((E)-4-(dimethylamino)styryl)-1-ethylpyridin-4(1H)-ylidene)-2,2-dimethyl-1,3-dioxane-4,6-dione: aggregation-induced emission, polymorphism, mechanochromism, and thermochromism","Journal of Materials Chemistry C","2017","5","36","9264","","10.1039/C7TC02746J","","","0.71073","MoKα","","0.0955","0.046","","","0.0974","0.115","","","","","","0.975","","","","has coordinates","236581","2020-10-21","18:00:00",""
"7236864","11.392","0.002","14.396","0.002","11.488","0.002","90","","102.493","0.003","90","","1839.4","0.5","296","2","296","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C32 H36 Dy2 N10 O12 -","- C32 H36 Dy2 N10 O12 -","- C64 H72 Dy4 N20 O24 -","2","0.5","","Sun, Lin; Wei, Shilong; Zhang, Jun; Wang, Wenyuan; Chen, Sanping; Zhang, Yiquan; Wei, Qing; Xie, Gang; Gao, Shengli","Isomeric ligands enhance the anisotropy barrier within nine-coordinated {Dy2} compounds","Journal of Materials Chemistry C","2017","5","36","9488","","10.1039/C7TC02786A","","","0.71073","MoKα","","0.0902","0.074","","","0.1724","0.1806","","","","","","1.158","","","","has coordinates","236585","2020-10-21","18:00:00",""
"7236865","17.6569","0.0007","13.0716","0.0005","18.0859","0.0007","90","","97.96","0.004","90","","4134.1","0.3","296","2","296","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C32 H44 Dy2 N10 O16 -","- C32 H44 Dy2 N10 O16 -","- C128 H176 Dy8 N40 O64 -","4","0.5","","Sun, Lin; Wei, Shilong; Zhang, Jun; Wang, Wenyuan; Chen, Sanping; Zhang, Yiquan; Wei, Qing; Xie, Gang; Gao, Shengli","Isomeric ligands enhance the anisotropy barrier within nine-coordinated {Dy2} compounds","Journal of Materials Chemistry C","2017","5","36","9488","","10.1039/C7TC02786A","","","0.71073","MoKα","","0.0634","0.0418","","","0.1129","0.129","","","","","","0.946","","","","has coordinates,has disorder","236585","2020-10-21","18:00:00",""
"7236866","10.0708","0.0019","10.0708","0.0019","12.604","0.004","90","","90","","120","","1107","0.5","173","2","173","2","","","","","","","","5","P 63 m c","P 6c -2c","186","","","","- C8 Ca5 Li0 Na6 O24 -","- C8 Ca4.99 Na6.01 O24.97 -","- C16 Ca9.98 Na12.02 O49.94 -","2","0.166667","","Song, Yunxia; Luo, Min; Zhao, Dan; Peng, Guang; Lin, Chensheng; Ye, Ning","Explorations of new UV nonlinear optical materials in the Na2CO3‒CaCO3system","Journal of Materials Chemistry C","2017","5","34","8758","","10.1039/C7TC02789C","","","0.71073","MoKα","","0.0918","0.0756","","","0.239","0.2479","","","","","","1.292","","","","has coordinates","236587","2020-10-21","18:00:00",""
"7236867","4.972","0.0009","11.068","0.003","7.1271","0.0014","90","","90","","90","","392.2","0.15","293","2","293","2","","","","","","","","4","A m m 2","A 2 -2","38","","","","- C3 Ca2 Na2 O9 -","- C3 Ca2 Na2 O9 -","- C6 Ca4 Na4 O18 -","2","0.25","","Song, Yunxia; Luo, Min; Zhao, Dan; Peng, Guang; Lin, Chensheng; Ye, Ning","Explorations of new UV nonlinear optical materials in the Na2CO3‒CaCO3system","Journal of Materials Chemistry C","2017","5","34","8758","","10.1039/C7TC02789C","","","0.71073","MoKα","","0.0286","0.028","","","0.0534","0.0537","","","","","","1.126","","","","has coordinates","236587","2020-10-21","18:00:00",""
"7236868","10.0411","0.001","8.7472","0.0008","12.2267","0.0011","90","","90","","90","","1073.89","0.17","296","2","296","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C2 Ca Na2 O6 -","- C2 Ca Na2 O6 -","- C16 Ca8 Na16 O48 -","8","1","","Song, Yunxia; Luo, Min; Zhao, Dan; Peng, Guang; Lin, Chensheng; Ye, Ning","Explorations of new UV nonlinear optical materials in the Na2CO3‒CaCO3system","Journal of Materials Chemistry C","2017","5","34","8758","","10.1039/C7TC02789C","","","0.71073","MoKα","","0.0791","0.0492","","","0.1569","0.1774","","","","","","1.108","","","","has coordinates","236587","2020-10-21","18:00:00",""
"7236869","19.4641","0.0002","19.4641","0.0002","19.4641","0.0002","90","","90","","90","","7374","0.13","120.01","0.1","120.01","0.1","","","","","","","","6","P a -3","-P 2ac 2ab 3","205","","","","- C66 H72 Eu2 N18 Na O19 -","- C66 H72 Eu2 N18 Na O19 -","- C264 H288 Eu8 N72 Na4 O76 -","4","0.166667","","Han, Min-Le; Wen, Guo-Xuan; Dong, Wen-Wen; Zhou, Zhi-Hang; Wu, Ya-Pan; Zhao, Jun; Li, Dong-Sheng; Ma, Lu-Fang; Bu, Xianhui","A heterometallic sodium‒europium-cluster-based metal‒organic framework as a versatile and water-stable chemosensor for antibiotics and explosives","Journal of Materials Chemistry C","2017","5","33","8469","","10.1039/C7TC02885G","","x-ray","0.71073","MoKα","","0.0479","0.0399","","","0.0959","0.0997","","","","","","1.112","","","","has coordinates,has disorder","236590","2020-10-21","18:00:00",""
"7236870","4.0461","0.0003","9.9861","0.0007","14.8584","0.001","90","","94.697","0.003","90","","598.33","0.07","150","2","150","2","","","","","","","synthesis as described","4","P 1 21/c 1","-P 2ybc","14","","","","- C8 H6 N2 S6 -","- C8 H6 N2 S6 -","- C16 H12 N4 S12 -","2","0.5","","Iijima, Kodai; Le Gal, Yann; Higashino, Toshiki; Lorcy, Dominique; Mori, Takehiko","Birhodanines and their sulfur analogues for air-stable n-channel organic transistors","Journal of Materials Chemistry C","2017","5","35","9121","","10.1039/C7TC02886E","","x-ray","0.71073","MoKα","","0.0764","0.0715","","","0.1556","0.1575","","","","","","1.348","","","","has coordinates,has disorder","236592","2020-10-21","18:00:00",""
"7236871","32.967","0.009","8.079","0.004","6.986","0.003","90","","90","","90","","1860.7","1.3","298","","298","","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C14 H18 N2 O2 S4 -","- C14 H18 N2 O2 S4 -","- C56 H72 N8 O8 S16 -","4","0.5","","Iijima, Kodai; Le Gal, Yann; Higashino, Toshiki; Lorcy, Dominique; Mori, Takehiko","Birhodanines and their sulfur analogues for air-stable n-channel organic transistors","Journal of Materials Chemistry C","2017","5","35","9121","","10.1039/C7TC02886E","","","0.71069","MoKα","","","0.0505","","","","0.1778","","","","","","1.012","","","","has coordinates","236592","2020-10-21","18:00:00",""
"7236872","4.7328","0.0005","5.6266","0.001","10.8786","0.0016","81.629","0.013","80.329","0.012","84.727","0.013","281.86","0.07","298","","298","","","","","","","","","5","P -1","-P 1","2","","","","- C8 H6 N2 O2 S4 -","- C8 H6 N2 O2 S4 -","- C8 H6 N2 O2 S4 -","1","0.5","","Iijima, Kodai; Le Gal, Yann; Higashino, Toshiki; Lorcy, Dominique; Mori, Takehiko","Birhodanines and their sulfur analogues for air-stable n-channel organic transistors","Journal of Materials Chemistry C","2017","5","35","9121","","10.1039/C7TC02886E","","","0.71069","MoKα","","","0.0358","","","","0.0948","","","","","","1.001","","","","has coordinates","236592","2020-10-21","18:00:00",""
"7236873","4.3845","0.0002","7.1311","0.0004","12.7965","0.0006","90.248","0.002","97.646","0.002","98.184","0.002","392.39","0.03","150","2","150","2","","","","","","","synthesis as described","4","P -1","-P 1","2","","","","- C3 H3.5 N0.5 S1.5 -","- C3 H3.5 N0.5 S1.5 -","- C12 H14 N2 S6 -","4","2","","Iijima, Kodai; Le Gal, Yann; Higashino, Toshiki; Lorcy, Dominique; Mori, Takehiko","Birhodanines and their sulfur analogues for air-stable n-channel organic transistors","Journal of Materials Chemistry C","2017","5","35","9121","","10.1039/C7TC02886E","","x-ray","0.71073","MoKα","","0.0202","0.0187","","","0.0468","0.0476","","","","","","1.071","","","","has coordinates","236592","2020-10-21","18:00:00",""
"7236874","23.646","0.009","7.94","0.005","7.2","0.004","90","","90","","90","","1351.8","1.2","298","","298","","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C10 H10 N2 O2 S4 -","- C10 H10 N2 O2 S4 -","- C40 H40 N8 O8 S16 -","4","0.5","","Iijima, Kodai; Le Gal, Yann; Higashino, Toshiki; Lorcy, Dominique; Mori, Takehiko","Birhodanines and their sulfur analogues for air-stable n-channel organic transistors","Journal of Materials Chemistry C","2017","5","35","9121","","10.1039/C7TC02886E","","","0.71069","MoKα","","","0.0439","","","","0.1049","","","","","","1.003","","","","has coordinates","236592","2020-10-21","18:00:00",""
"7236875","13.8023","0.0002","8.15218","0.0001","7.03233","0.0001","90","","102.402","","90","","772.805","0.018","296","","296","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C12 H14 N2 O2 S4 -","- C12 H14 N2 O2 S4 -","- C24 H28 N4 O4 S8 -","2","0.5","","Iijima, Kodai; Le Gal, Yann; Higashino, Toshiki; Lorcy, Dominique; Mori, Takehiko","Birhodanines and their sulfur analogues for air-stable n-channel organic transistors","Journal of Materials Chemistry C","2017","5","35","9121","","10.1039/C7TC02886E","","","1.54187","CuKα","","","0.0488","","","","0.1284","","","","","","1.071","","","","has coordinates","236592","2020-10-21","18:00:00",""
"7236876","9.639","0.005","11.745","0.005","22.285","0.008","76.86","0.05","81.81","0.03","88.16","0.04","2431.8","1.9","566","2","566","2","","","","","","","","5","P -1","-P 1","2","","","","- C H N O S -","- C3.29032 N0.193548 O0.387097 S0.193548 -","- C102 N6 O12 S6 -","31","15.5","","Chen, Jianhua; Zhang, Xianhe; Wang, Gang; Uddin, Mohammad Afsar; Tang, Yumin; Wang, Yulun; Liao, Qiaogan; Facchetti, Antonio; Marks, Tobin J.; Guo, Xugang","Dithienylbenzodiimide: a new electron-deficient unit for n-type polymer semiconductors","Journal of Materials Chemistry C","2017","5","37","9559","","10.1039/C7TC02903A","","","0.71073","MoKα","","0.2041","0.1597","","","0.3872","0.4633","","","","","","1.262","","","","has coordinates","236594","2020-10-21","18:00:00",""
"7236877","20.81","0.005","5.7364","0.0013","14.397","0.003","90","","98.967","0.007","90","","1697.6","0.7","293","2","293","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","2-(4-Fluorophenyl)pyridine","","- C11 H8 F N -","- C11 H8 F N -","- C88 H64 F8 N8 -","8","1","","Di Marcantonio, M.; Namanga, J. E.; Smetana, V.; Gerlitzki, N.; Vollkommer, F.; Mudring, A.-V.; Bacher, G.; Nannen, E.","Green-yellow emitting hybrid light emitting electrochemical cell","Journal of Materials Chemistry C","2017","5","46","12062","","10.1039/C7TC02976D","","","0.71073","MoKα","","0.1734","0.0717","","","0.1351","0.166","","","","","","0.986","","","","has coordinates","236596","2020-10-21","18:00:00",""
"7236878","22.148","0.016","5.489","0.004","11.95","0.009","90","","122.238","0.018","90","","1228.8","1.6","293","2","293","2","","","","","","","","3","C 1 2 1","C 2y","5","","6-phenyl-2,2'-bipyridine","","- C16 H12 N2 -","- C16 H12 N2 -","- C64 H48 N8 -","4","1","","Di Marcantonio, M.; Namanga, J. E.; Smetana, V.; Gerlitzki, N.; Vollkommer, F.; Mudring, A.-V.; Bacher, G.; Nannen, E.","Green-yellow emitting hybrid light emitting electrochemical cell","Journal of Materials Chemistry C","2017","5","46","12062","","10.1039/C7TC02976D","","","0.71073","MoKα","","0.1455","0.058","","","0.0953","0.1189","","","","","","0.974","","","","has coordinates","236596","2020-10-21","18:00:00",""
"7236879","9.5928","0.001","13.4434","0.0013","14.3298","0.0014","109.173","0.006","103.075","0.006","94.939","0.007","1674.2","0.3","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C38 F8 Ir N4 P -","- C38 F8 Ir N4 P -","- C76 F16 Ir2 N8 P2 -","2","1","","Di Marcantonio, M.; Namanga, J. E.; Smetana, V.; Gerlitzki, N.; Vollkommer, F.; Mudring, A.-V.; Bacher, G.; Nannen, E.","Green-yellow emitting hybrid light emitting electrochemical cell","Journal of Materials Chemistry C","2017","5","46","12062","","10.1039/C7TC02976D","","","0.71073","MoKα","","0.1434","0.1244","","","0.3307","0.3447","","","","","","1.466","","","","has coordinates","236596","2020-10-21","18:00:00",""
"7236880","9.7352","0.0005","14.1265","0.0007","14.9366","0.0008","109.76","0.001","107.897","0.001","93.188","0.001","1810.23","0.16","293","2","293","2","","","","","","","","6","P -1","-P 1","2","","","","- C36 H0 Br0.75 Eu N4 O13 -","- C36 Br0.75 Eu N4 O13 -","- C72 Br1.5 Eu2 N8 O26 -","2","1","","Zhang, Chenghui; Sun, Libo; Yan, Yan; Shi, Huaizhong; Wang, Bolun; Liang, Zhiqiang; Li, Jiyang","A novel photo- and hydrochromic europium metal‒organic framework with good anion sensing properties","Journal of Materials Chemistry C","2017","5","35","8999","","10.1039/C7TC03013D","","","0.71073","MoKα","","0.0434","0.0402","","","0.11","0.1124","","","","","","1.069","","","","has coordinates","236598","2020-10-21","18:00:00",""
"7236881","8.6959","0.0004","9.2224","0.0001","14.9699","0.0009","75.676","0.012","85.233","0.015","67.95","0.012","1078.07","0.14","200","","200","","","","","","","","","4","P -1","-P 1","2","","","","- C28 H26 N2 O -","- C28 H26 N2 O -","- C56 H52 N4 O2 -","2","1","","Pasha, Sheik Saleem; Yadav, Hare Ram; Choudhury, Angshuman Roy; Laskar, Inamur Rahaman","Synthesis of an aggregation-induced emission (AIE) active salicylaldehyde based Schiff base: study of mechanoluminescence and sensitive Zn(ii) sensing","Journal of Materials Chemistry C","2017","5","37","9651","","10.1039/C7TC03046K","","","0.71075","MoKα","","0.0626","0.0487","","","0.1204","0.1323","","","","","","1.077","","","","has coordinates","236599","2020-10-21","18:00:00",""
"7236882","8.652","0.001","9.2161","0.0006","14.815","0.002","75.93","0.04","85.85","0.04","68.03","0.03","1062.4","0.4","90","","90","","","","","","","","","4","P -1","-P 1","2","","","","- C28 H26 N2 O -","- C28 H26 N2 O -","- C56 H52 N4 O2 -","2","1","","Pasha, Sheik Saleem; Yadav, Hare Ram; Choudhury, Angshuman Roy; Laskar, Inamur Rahaman","Synthesis of an aggregation-induced emission (AIE) active salicylaldehyde based Schiff base: study of mechanoluminescence and sensitive Zn(ii) sensing","Journal of Materials Chemistry C","2017","5","37","9651","","10.1039/C7TC03046K","","","0.71075","MoKα","","0.0676","0.0528","","","0.1333","0.1519","","","","","","1.066","","","","has coordinates","236599","2020-10-21","18:00:00",""
"7236883","13.339","0.004","13.342","0.004","15.359","0.005","95.814","0.003","109.924","0.007","112.425","0.009","2289.8","1.2","293","","293","","","","","","","","","6","P -1","-P 1","2","","","","- C28 H26 Br0 N2 O Zn0.25 -","- C28 H26 N2 O Zn0.5 -","- C112 H104 N8 O4 Zn2 -","4","2","","Pasha, Sheik Saleem; Yadav, Hare Ram; Choudhury, Angshuman Roy; Laskar, Inamur Rahaman","Synthesis of an aggregation-induced emission (AIE) active salicylaldehyde based Schiff base: study of mechanoluminescence and sensitive Zn(ii) sensing","Journal of Materials Chemistry C","2017","5","37","9651","","10.1039/C7TC03046K","","","0.71075","MoKα","","0.1796","0.0853","","","0.1444","0.1919","","","","","","1.054","","","","has coordinates","236599","2020-10-21","18:00:00",""
"7236884","11.876","0.003","15.659","0.003","17.043","0.005","105","0.03","110.179","0.019","104.28","0.03","2669","1.5","173","","173","","","","","","","","","7","P -1","-P 1","2","","","","- C46 H58 F6 Ir N8 O5 P -","- C46 H58 F6 Ir N8 O5 P -","- C92 H116 F12 Ir2 N16 O10 P2 -","2","1","","Henwood, Adam F.; Pal, Amlan K.; Cordes, David B.; Slawin, Alexandra M. Z.; Rees, Thomas W.; Momblona, Cristina; Babaei, Azin; Pertegás, Antonio; Ortí, Enrique; Bolink, Henk J.; Baranoff, Etienne; Zysman-Colman, Eli","Blue-emitting cationic iridium(iii) complexes featuring pyridylpyrimidine ligands and their use in sky-blue electroluminescent devices","Journal of Materials Chemistry C","2017","5","37","9638","","10.1039/C7TC03110F","","","1.54187","CuKα","","0.1178","0.1146","","","0.3174","0.3194","","","","","","1.183","","","","has coordinates","236601","2020-10-21","18:00:00",""
"7236885","13.3398","0.0014","14.351","0.002","15.983","0.002","80.569","0.013","67.093","0.01","74.566","0.012","2710.6","0.6","173","","173","","","","","","","","","7","P -1","-P 1","2","","","","- C42 H42 F12 Ir N8 O4 P -","- C42 H42 F12 Ir N8 O4 P -","- C84 H84 F24 Ir2 N16 O8 P2 -","2","1","","Henwood, Adam F.; Pal, Amlan K.; Cordes, David B.; Slawin, Alexandra M. Z.; Rees, Thomas W.; Momblona, Cristina; Babaei, Azin; Pertegás, Antonio; Ortí, Enrique; Bolink, Henk J.; Baranoff, Etienne; Zysman-Colman, Eli","Blue-emitting cationic iridium(iii) complexes featuring pyridylpyrimidine ligands and their use in sky-blue electroluminescent devices","Journal of Materials Chemistry C","2017","5","37","9638","","10.1039/C7TC03110F","","","0.71075","MoKα","","0.2916","0.1078","","","0.2237","0.3071","","","","","","1.053","","","","has coordinates","236601","2020-10-21","18:00:00",""
"7236886","28.958","0.011","13.786","0.006","30.357","0.009","90","","115.07","0.03","90","","10977","8","173","","173","","","","","","","","","7","I 1 2/a 1","-I 2ya","15","","","","- C47 H54.5 F12 Ir N12.5 O5 P2 -","- C47 H54.5 F12 Ir N12.5 O5 P2 -","- C376 H436 F96 Ir8 N100 O40 P16 -","8","1","","Henwood, Adam F.; Pal, Amlan K.; Cordes, David B.; Slawin, Alexandra M. Z.; Rees, Thomas W.; Momblona, Cristina; Babaei, Azin; Pertegás, Antonio; Ortí, Enrique; Bolink, Henk J.; Baranoff, Etienne; Zysman-Colman, Eli","Blue-emitting cationic iridium(iii) complexes featuring pyridylpyrimidine ligands and their use in sky-blue electroluminescent devices","Journal of Materials Chemistry C","2017","5","37","9638","","10.1039/C7TC03110F","","","0.71075","MoKα","","0.1019","0.0485","","","0.0847","0.0966","","","","","","0.918","","","","has coordinates","236601","2020-10-21","18:00:00",""
"7236887","13.7823","0.0011","28.04","0.002","27.901","0.002","90","","97.757","0.002","90","","10683.8","1.4","173","","173","","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C84 H77 F30 Ir2 N22 O9 P3 -","- C84 H77 F30 Ir2 N22 O9 P3 -","- C336 H308 F120 Ir8 N88 O36 P12 -","4","1","","Henwood, Adam F.; Pal, Amlan K.; Cordes, David B.; Slawin, Alexandra M. Z.; Rees, Thomas W.; Momblona, Cristina; Babaei, Azin; Pertegás, Antonio; Ortí, Enrique; Bolink, Henk J.; Baranoff, Etienne; Zysman-Colman, Eli","Blue-emitting cationic iridium(iii) complexes featuring pyridylpyrimidine ligands and their use in sky-blue electroluminescent devices","Journal of Materials Chemistry C","2017","5","37","9638","","10.1039/C7TC03110F","","","0.71075","MoKα","","0.0668","0.043","","","0.1112","0.1259","","","","","","1.144","","","","has coordinates","236601","2020-10-21","18:00:00",""
"7236891","10.8029","0.0006","13.5597","0.0007","21.3263","0.0011","96.201","0.003","90.085","0.003","113.148","0.003","2852.4","0.3","296","2","296","2","","","","","","","","6","P -1","-P 1","2","","","","- C36 H60 Cu N6 O32 V10 -","- C36 H60 Cu N6 O32 V10 -","- C72 H120 Cu2 N12 O64 V20 -","2","1","","Raizada, Mukul; Sama, Farasha; Ashafaq, Mo; Shahid, M.; Ahmad, Musheer; Siddiqi, Zafar A.","New hybrid polyoxovanadate‒Cu complex with V⋯H interactions and dual aqueous-phase sensing properties for picric acid and Pd2+: X-ray analysis, magnetic and theoretical studies, and mechanistic insights into the hybrid's sensing capabilities","Journal of Materials Chemistry C","2017","5","36","9315","","10.1039/C7TC03172F","","","0.71073","MoKα","","0.1122","0.0818","","","0.2281","0.2515","","","","","","1.029","","","","has coordinates","236606","2020-10-21","18:00:00",""
"7236892","20.126","0.004","48.515","0.008","25.912","0.005","90","","103.847","0.003","90","","24566","8","293","2","293","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C222 H229 Ag12 Cl2 Cu2 O8 P8 -","- C222 H229 Ag12 Cl2 Cu2 O8 P8 -","- C888 H916 Ag48 Cl8 Cu8 O32 P32 -","4","1","","Zhang, Xu; Wang, Jin-Yun; Qiao, Di; Chen, Zhong-Ning","Phosphorescent mechanochromism through the contraction of Ag12Cu2 clusters in tetradecanuclear copper‒silver acetylide complexes","Journal of Materials Chemistry C","2017","5","34","8782","","10.1039/C7TC03205F","","","0.71073","MoKα","","0.0849","0.0676","","","0.2","0.2164","","","","","","1.125","","","","has coordinates,has disorder","236608","2020-10-21","18:00:00",""
"7236893","15.856","0.004","28.435","0.007","10.3986","0.0019","90","","90","","90","","4688.4","1.9","296","2","296","2","","","","","","","","3","I b a 2","I 2 -2c","45","","1,1,2,2-tetrakis(4-((trimethylsilyl)ethynyl)phenyl)ethene","","- C46 H52 Si4 -","- C46 H52 Si4 -","- C184 H208 Si16 -","4","0.5","","Ramachandran, Elumalai; Dhamodharan, Raghavachari","Tetrakis(trialkylsilylethynylphenyl)ethenes: mechanofluorochromism arising from steric considerations with an unusual crystal structure","J. Mater. Chem. C","2017","5","40","10469","","10.1039/C7TC03211K","","","0.71073","MoKα","","0.1168","0.0493","","","0.0939","0.1161","","","","","","0.99","","","","has coordinates","236610","2020-10-21","18:00:00",""
"7236894","8.7244","0.0005","10.4918","0.0006","10.8211","0.0006","115.322","0.002","98.499","0.003","109.477","0.003","793.58","0.09","100","1","100","1","","","","","","","","5","P -1","-P 1","2","","","","- C30 H44 B2 Fe N12 -","- C30 H44 B2 Fe N12 -","- C30 H44 B2 Fe N12 -","1","0.5","","Iasco, O.; Boillot, M.-L.; Bellec, A.; Guillot, R.; Rivière, E.; Mazerat, S.; Nowak, S.; Morineau, D.; Brosseau, A.; Miserque, F.; Repain, V.; Mallah, T.","The disentangling of hysteretic spin transition, polymorphism and metastability in bistable thin films formed by sublimation of bis(scorpionate) Fe(ii) molecules","Journal of Materials Chemistry C","2017","5","42","11067","","10.1039/C7TC03276E","","x-ray","0.71073","MoKα","","0.0862","0.0554","","","0.1243","0.1413","","","","","","1.119","","","","has coordinates","236612","2020-10-21","18:00:00",""
"7236895","8.777","0.0009","10.7908","0.001","10.9916","0.0017","106.485","0.007","108.711","0.007","109.714","0.005","833.7","0.2","240","1","240","1","","","","","","","","5","P -1","-P 1","2","","","","- C15 H22 B Fe0.5 N6 -","- C15 H22 B Fe0.5 N6 -","- C30 H44 B2 Fe N12 -","2","1","","Iasco, O.; Boillot, M.-L.; Bellec, A.; Guillot, R.; Rivière, E.; Mazerat, S.; Nowak, S.; Morineau, D.; Brosseau, A.; Miserque, F.; Repain, V.; Mallah, T.","The disentangling of hysteretic spin transition, polymorphism and metastability in bistable thin films formed by sublimation of bis(scorpionate) Fe(ii) molecules","Journal of Materials Chemistry C","2017","5","42","11067","","10.1039/C7TC03276E","","","0.71073","MoKα","","0.114","0.0636","","","0.1429","0.1656","","","","","","1.094","","","","has coordinates","236612","2020-10-21","18:00:00",""
"7236896","8.8124","0.0003","10.1928","0.0003","10.7673","0.0004","116.338","0.001","85.244","0.002","100.143","0.002","853.2","0.05","298","2","298","2","","","","","","","","5","P -1","-P 1","2","","","","- C30 H44 B2 Fe N12 -","- C30 H44 B2 Fe N12 -","- C30 H44 B2 Fe N12 -","1","0.5","","Iasco, O.; Boillot, M.-L.; Bellec, A.; Guillot, R.; Rivière, E.; Mazerat, S.; Nowak, S.; Morineau, D.; Brosseau, A.; Miserque, F.; Repain, V.; Mallah, T.","The disentangling of hysteretic spin transition, polymorphism and metastability in bistable thin films formed by sublimation of bis(scorpionate) Fe(ii) molecules","Journal of Materials Chemistry C","2017","5","42","11067","","10.1039/C7TC03276E","","","0.71073","MoKα","","0.0879","0.0487","","","0.127","0.1519","","","","","","1.081","","","","has coordinates","236612","2020-10-21","18:00:00",""
"7236897","20.669","0.005","20.669","0.005","8.603","0.003","90","","90","","90","","3675.3","1.8","253","2","253","2","","","","","","","","6","P -4 21 m","P -4 2ab","113","","","","- C60 H88 B4 Fe2 N24 O0 -","- C60 H88 B4 Fe2 N24 -","- C120 H176 B8 Fe4 N48 -","2","0.25","","Iasco, O.; Boillot, M.-L.; Bellec, A.; Guillot, R.; Rivière, E.; Mazerat, S.; Nowak, S.; Morineau, D.; Brosseau, A.; Miserque, F.; Repain, V.; Mallah, T.","The disentangling of hysteretic spin transition, polymorphism and metastability in bistable thin films formed by sublimation of bis(scorpionate) Fe(ii) molecules","Journal of Materials Chemistry C","2017","5","42","11067","","10.1039/C7TC03276E","","","0.71073","MoKα","","0.3011","0.1233","","","0.2503","0.3314","","","","","","1.035","","","","has coordinates","236612","2020-10-21","18:00:00",""
"7236898","10.0305","0.0005","10.504","0.0007","12.3508","0.0006","90","","102.582","0.003","90","","1270.03","0.12","120","","120","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C13 H15 N3 O2 -","- C13 H15 N3 O2 -","- C52 H60 N12 O8 -","4","1","","Borozdina, Yulia B.; Mostovich, Evgeny A.; Cong, Pham Thanh; Postulka, Lars; Wolf, Bernd; Lang, Michael; Baumgarten, Martin","Spin-dimer networks: engineering tools to adjust the magnetic interactions in biradicals","Journal of Materials Chemistry C","2017","5","35","9053","","10.1039/C7TC03357E","","","0.71073","MoKα","","0.0668","0.0426","","0.0554","0.0525","0.0525","","","","","","1.0729","","","","has coordinates","236616","2020-10-21","18:00:00",""
"7236899","6.2359","0.0006","10.5265","0.0007","17.6917","0.0009","90","","94.553","0.004","90","","1157.66","0.15","120","","120","","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C13 H16 N2 O -","- C13 H16 N2 O -","- C52 H64 N8 O4 -","4","1","","Borozdina, Yulia B.; Mostovich, Evgeny A.; Cong, Pham Thanh; Postulka, Lars; Wolf, Bernd; Lang, Michael; Baumgarten, Martin","Spin-dimer networks: engineering tools to adjust the magnetic interactions in biradicals","Journal of Materials Chemistry C","2017","5","35","9053","","10.1039/C7TC03357E","","","0.71073","MoKα","","0.0812","0.0518","","0.0641","0.0585","0.0585","","","","","","1.0248","","","","has coordinates","236616","2020-10-21","18:00:00",""
"7236900","6.3011","0.0002","10.4759","0.0005","17.1953","0.0007","90","","98.045","0.002","90","","1123.89","0.08","120","","120","","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C12 H15 N3 O -","- C12 H15 N3 O -","- C48 H60 N12 O4 -","4","1","","Borozdina, Yulia B.; Mostovich, Evgeny A.; Cong, Pham Thanh; Postulka, Lars; Wolf, Bernd; Lang, Michael; Baumgarten, Martin","Spin-dimer networks: engineering tools to adjust the magnetic interactions in biradicals","Journal of Materials Chemistry C","2017","5","35","9053","","10.1039/C7TC03357E","","","0.71073","MoKα","","0.0963","0.0526","","0.1944","0.0607","0.0607","","","","","","1.0906","","","","has coordinates","236616","2020-10-21","18:00:00",""
"7236901","6.6883","0.0002","10.3043","0.0004","18.2359","0.0005","90","","93.231","0.002","90","","1254.79","0.07","120","","120","","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","2-(4-{4-[4-(1-oxyl-3-oxo-4,4,5,5-tetramethyl-4H,5H-imidazolin-2-yl) -phenyl]buta-1,3-diyn-1-yl}phenyl)-4,4,5,5-tetramethyl-imidazoline-1-oxyl","","- C14 H16 N2 O -","- C14 H16 N2 O -","- C56 H64 N8 O4 -","4","1","","Borozdina, Yulia B.; Mostovich, Evgeny A.; Cong, Pham Thanh; Postulka, Lars; Wolf, Bernd; Lang, Michael; Baumgarten, Martin","Spin-dimer networks: engineering tools to adjust the magnetic interactions in biradicals","Journal of Materials Chemistry C","2017","5","35","9053","","10.1039/C7TC03357E","","","0.71073","MoKα","","0.0691","0.0401","","0.0553","0.0461","0.0461","","","","","","1.1123","","","","has coordinates","236616","2020-10-21","18:00:00",""
"7236902","7.3674","0.0002","13.0178","0.0004","13.7189","0.0004","90.9445","0.0014","104.498","0.0016","104.209","0.0016","1230.61","0.06","120","","120","","","","","","","","","4","P -1","-P 1","2","","","","- C13 H15 N3 O2 -","- C13 H15 N3 O2 -","- C52 H60 N12 O8 -","4","2","","Borozdina, Yulia B.; Mostovich, Evgeny A.; Cong, Pham Thanh; Postulka, Lars; Wolf, Bernd; Lang, Michael; Baumgarten, Martin","Spin-dimer networks: engineering tools to adjust the magnetic interactions in biradicals","Journal of Materials Chemistry C","2017","5","35","9053","","10.1039/C7TC03357E","","","0.71073","MoKα","","0.0644","0.0524","","0.0627","0.0618","0.0618","","","","","","0.9857","","","","has coordinates","236616","2020-10-21","18:00:00",""
"7236903","7.042","0.0003","12.9582","0.0009","14.2234","0.0009","94.407","0.003","103.761","0.003","102.863","0.003","1217.42","0.13","120","","120","","","","","","","","","4","P -1","-P 1","2","","","","- C13 H15 N3 O -","- C13 H15 N3 O -","- C52 H60 N12 O4 -","4","2","","Borozdina, Yulia B.; Mostovich, Evgeny A.; Cong, Pham Thanh; Postulka, Lars; Wolf, Bernd; Lang, Michael; Baumgarten, Martin","Spin-dimer networks: engineering tools to adjust the magnetic interactions in biradicals","Journal of Materials Chemistry C","2017","5","35","9053","","10.1039/C7TC03357E","","","0.71073","MoKα","","0.0619","0.0621","","0.0549","0.055","0.055","","","","","","0.9779","","","","has coordinates","236616","2020-10-21","18:00:00",""
"7236904","44.497","0.004","44.497","0.004","44.497","0.004","90","","90","","90","","88103","14","100","2","100","2","","","","","","","","8","I -4 3 d","I -4bd 2c 3","220","","","","- C120 H181.5 Cl12 N48 O78.75 P8 S8 Zn6 -","- C120 H120 Cl12 N48 O78.75 P8 S8 Zn6 -","- C1920 H1920 Cl192 N768 O1260 P128 S128 Zn96 -","16","0.333333","","Yadav, Ashok; Srivastava, Anant Kumar; Kulkarni, Priyangi; Divya, Pillutla; Steiner, Alexander; Praveenkumar, B.; Boomishankar, Ramamoorthy","Anion-induced ferroelectric polarization in a luminescent metal‒organic cage compound","J. Mater. Chem. C","2017","5","40","10624","","10.1039/C7TC03375C","","","0.71073","MoKα","","0.1231","0.0887","","","0.2427","0.287","","","","","","1.011","","","","has coordinates,has disorder","236619","2020-10-21","18:00:00",""
"7236905","21.0961","0.0009","21.0961","0.0009","24.0305","0.0013","90","","90","","90","","10694.7","0.9","100","2","100","2","","","","","","","","7","I 4","I 4","79","","","","- C120 H196 N60 O74 P8 S8 Zn6 -","- C120 H120 N60 O74 P8 S8 Zn6 -","- C240 H240 N120 O148 P16 S16 Zn12 -","2","0.25","","Yadav, Ashok; Srivastava, Anant Kumar; Kulkarni, Priyangi; Divya, Pillutla; Steiner, Alexander; Praveenkumar, B.; Boomishankar, Ramamoorthy","Anion-induced ferroelectric polarization in a luminescent metal‒organic cage compound","J. Mater. Chem. C","2017","5","40","10624","","10.1039/C7TC03375C","","","0.71073","MoKα","","0.0917","0.0773","","","0.216","0.2369","","","","","","1.051","","","","has coordinates,has disorder","236621","2020-10-21","18:00:00",""
"7236910","8.9365","0.0014","9.6625","0.0015","11.8541","0.0018","85.097","0.003","84.907","0.003","63.265","0.003","909.4","0.2","100","2","100","2","","","","","","","","6","P -1","-P 1","2","","","","- C16 H19 N6 O P S -","- C16 H19 N6 O P S -","- C32 H38 N12 O2 P2 S2 -","2","1","","Yadav, Ashok; Srivastava, Anant Kumar; Kulkarni, Priyangi; Divya, Pillutla; Steiner, Alexander; Praveenkumar, B.; Boomishankar, Ramamoorthy","Anion-induced ferroelectric polarization in a luminescent metal‒organic cage compound","J. Mater. Chem. C","2017","5","40","10624","","10.1039/C7TC03375C","","","0.71073","MoKα","","0.0359","0.031","","","0.0798","0.0832","","","","","","1.036","","","","has coordinates","236624","2020-10-21","18:00:00",""
"7236914","10.5762","0.0004","13.3993","0.0004","21.7435","0.0006","97.986","0.003","100.725","0.003","112.276","0.003","2726.21","0.18","293","2","293","2","","","","","","","","4","P -1","-P 1","2","","","","- C63 H46 Cl2 N8 -","- C63 H46 Cl2 N8 -","- C126 H92 Cl4 N16 -","2","1","","Huang, Qiuyi; Yu, Tao; Xie, Zongliang; Li, Wenlang; Wang, Leyu; Liu, Siwei; Zhang, Yi; Chi, Zhenguo; Xu, Jiarui; Aldred, Matthew P.","Hydrogen bonding-assisted loosely packed crystals of a diaminomaleonitrile-modified tetraphenylethene compound and their photo- and mechano-responsive properties","Journal of Materials Chemistry C","2017","5","45","11867","","10.1039/C7TC03404K","","","1.54178","CuKα","","0.0951","0.0827","","","0.2474","0.2682","","","","","","1.0505","","","","has coordinates","236627","2020-10-21","18:00:00",""
"7236915","8.1726","0.0007","12.0345","0.0012","14.2401","0.0012","110.964","0.003","103.662","0.003","98.181","0.003","1230.5","0.2","173","2","173","2","","","","","","","","4","P -1","-P 1","2","","","","- C14 H11 N3 O2 -","- C14 H11 N3 O2 -","- C56 H44 N12 O8 -","4","2","","Yan, Han; Meng, Xinlei; Li, Baoyan; Ge, Shusheng; Lu, Yun","Design, synthesis, photophysical properties and pH-sensing application of pyrimidine-phthalimide derivatives","J. Mater. Chem. C","2017","5","40","10589","","10.1039/C7TC03472E","","","0.71073","MoKα","","0.1254","0.0602","","","0.1005","0.1184","","","","","","1.045","","","","has coordinates","236629","2020-10-21","18:00:00",""
"7236916","15.7201","0.0016","8.3942","0.0006","26.601","0.002","90","","99.639","0.003","90","","3460.6","0.5","173","2","173","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C40 H45 N5 O4 -","- C40 H45 N5 O4 -","- C160 H180 N20 O16 -","4","1","","Yan, Han; Meng, Xinlei; Li, Baoyan; Ge, Shusheng; Lu, Yun","Design, synthesis, photophysical properties and pH-sensing application of pyrimidine-phthalimide derivatives","J. Mater. Chem. C","2017","5","40","10589","","10.1039/C7TC03472E","","","0.71073","MoKα","","0.1269","0.0634","","","0.1319","0.1568","","","","","","1.055","","","","has coordinates,has disorder","236629","2020-10-21","18:00:00",""
"7236917","11.2121","0.0016","13.2318","0.0018","16.716","0.002","69.32","0.004","82.894","0.005","71.47","0.004","2199.7","0.5","296","2","296","2","","","","","","","","3","P -1","-P 1","2","","","","- C54 H44 S4 -","- C54 H44 S4 -","- C108 H88 S8 -","2","1","","Wang, Hui; Wang, Dong-En; Guan, Jianping; Han, Xiang; Xue, Pengchong; Liu, Wenming; Yuan, Mao-Sen; Wang, Jinyi","Mercaptomethylphenyl-modified tetraphenylethene as a multifunctional luminophor: stimuli-responsive luminescence color switching and AIE-active chemdosimeter for sulfur mustard simulants","Journal of Materials Chemistry C","2017","5","44","11565","","10.1039/C7TC03524A","","","0.71073","MoKα","","0.185","0.0857","","","0.2246","0.2957","","","","","","0.975","","","","has coordinates,has disorder","236631","2020-10-21","18:00:00",""
"7236918","4.51809","0.00036","5.4084","0.00038","14.86056","0.00086","84.8666","0.0051","86.2921","0.0051","88.2557","0.0051","360.8","0.04","293","","293","","","","","","","","","5","P 1","P 1","1","","","","- C7 H5 Au O2 S -","- C7 H4 Au O2 S -","- C14 H8 Au2 O4 S2 -","2","2","","Veselska, Oleksandra; Okhrimenko, Larysa; Guillou, Nathalie; Podbevšek, Darjan; Ledoux, Gilles; Dujardin, Christophe; Monge, Miguel; Chevrier, Daniel M.; Yang, Rui; Zhang, Peng; Fateeva, Alexandra; Demessence, Aude","An intrinsic dual-emitting gold thiolate coordination polymer, [Au(+I)(p-SPhCO2H)]n, for ratiometric temperature sensing","J. Mater. Chem. C","2017","5","38","9843","","10.1039/C7TC03605A","powder diffraction","","1.5406","CuKa1radiation","","","","","","","","","0.031","5.21","","","","","","","has coordinates","236633","2020-10-21","18:00:00",""
"7236919","16.315","0.005","12.408","0.004","7.38","0.002","90","","94.84","0.005","90","","1488.7","0.8","296","2","296","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C19 H12 N2 S -","- C19 H12 N2 S -","- C76 H48 N8 S4 -","4","1","","Yang, Jie; Ren, Zichun; Chen, Bin; Fang, Manman; Zhao, Zujin; Tang, Ben Zhong; Peng, Qian; Li, Zhen","Three polymorphs of one luminogen: how the molecular packing affects the RTP and AIE properties?","Journal of Materials Chemistry C","2017","5","36","9242","","10.1039/C7TC03656F","","","0.71073","MoKα","","0.0661","0.0471","","","0.1245","0.1395","","","","","","1.04","","","","has coordinates","236635","2020-10-21","18:00:00",""
"7236920","10.3472","0.001","12.6805","0.0012","12.7346","0.0012","91.281","0.001","109.39","0.001","111.059","0.001","1451.7","0.2","","","","","","","","","","","","4","P -1","-P 1","2","","","","- C19 H12 N2 S -","- C19 H12 N2 S -","- C76 H48 N8 S4 -","4","2","","Yang, Jie; Ren, Zichun; Chen, Bin; Fang, Manman; Zhao, Zujin; Tang, Ben Zhong; Peng, Qian; Li, Zhen","Three polymorphs of one luminogen: how the molecular packing affects the RTP and AIE properties?","Journal of Materials Chemistry C","2017","5","36","9242","","10.1039/C7TC03656F","","","","","","0.044","","","","","","","","","","","","","","","has coordinates","287153","2023-10-27","23:41:40",""
"7236921","12.3262","0.0017","12.5229","0.0018","9.8675","0.0014","90","","107.314","0.002","90","","1454.1","0.4","296","2","296","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C19 H12 N2 O S -","- C19 H12 N2 S -","- C76 H48 N8 S4 -","4","1","","Yang, Jie; Ren, Zichun; Chen, Bin; Fang, Manman; Zhao, Zujin; Tang, Ben Zhong; Peng, Qian; Li, Zhen","Three polymorphs of one luminogen: how the molecular packing affects the RTP and AIE properties?","Journal of Materials Chemistry C","2017","5","36","9242","","10.1039/C7TC03656F","","","0.71073","MoKα","","0.0521","0.0398","","","0.1021","0.11","","","","","","1.103","","","","has coordinates","236635","2020-10-21","18:00:00",""
"7236924","13.6826","0.0004","22.593","0.0007","9.0276","0.0003","90","","90","","90","","2790.71","0.15","293","2","293","2","","","","","","","","5","P b c n","-P 2n 2ab","60","","","","- C6 H14 I3 N Pb -","- C6 H14 I3 N Pb -","- C48 H112 I24 N8 Pb8 -","8","1","","Wu, Zhenyue; Ji, Chengmin; Wang, Sasa; Zhang, Weichuan; Wang, Yuyin; Li, Lina; Zhao, Sangen; Sun, Zhihua; Luo, Junhua","(2-Methylpiperidine)PbI3: an ABX3-type organic‒inorganic hybrid chain compound and its semiconducting nanowires with photoconductive properties","Journal of Materials Chemistry C","2017","5","44","11466","","10.1039/C7TC03844E","","","0.71073","MoKα","","0.0343","0.0255","","","0.0437","0.0466","","","","","","1.051","","","","has coordinates","236639","2020-10-21","18:00:00",""
"7236928","11.742","0.005","12.27","0.005","13.311","0.005","67.566","0.01","84.865","0.011","77.303","0.012","1729.3","1.2","296","2","296","2","","","","","","","","4","P -1","-P 1","2","","","","- C88 H86 N2 O8 -","- C88 H86 N2 O8 -","- C88 H86 N2 O8 -","1","0.5","","Hu, Jinyang; Liu, Rui; Zhai, Shengliang; Wu, Yanan; Zhang, Haozhe; Cheng, Hanting; Zhu, Hongjun","AIE-active molecule-based self-assembled nano-fibrous films for sensitive detection of volatile organic amines","Journal of Materials Chemistry C","2017","5","45","11781","","10.1039/C7TC03857G","","","0.71073","MoKα","","0.3528","0.2481","","","0.4416","0.4987","","","","","","1.152","","","","has coordinates","236644","2020-10-21","18:00:00",""
"7236929","8.73","0.0007","10.4348","0.0008","13.1284","0.0013","99.414","0.003","97.111","0.003","97.02","0.002","1158.3","0.17","296","2","296","2","","","","","","","","4","P -1","-P 1","2","","","","- C28 H29 Br O2 -","- C28 H29 Br O2 -","- C56 H58 Br2 O4 -","2","1","","Hu, Jinyang; Liu, Rui; Zhai, Shengliang; Wu, Yanan; Zhang, Haozhe; Cheng, Hanting; Zhu, Hongjun","AIE-active molecule-based self-assembled nano-fibrous films for sensitive detection of volatile organic amines","Journal of Materials Chemistry C","2017","5","45","11781","","10.1039/C7TC03857G","","","0.71073","MoKα","","0.0574","0.0461","","","0.1143","0.1198","","","","","","1.064","","","","has coordinates","236644","2020-10-21","18:00:00",""
"7236930","11.417","0.003","14.259","0.004","14.489","0.004","100.327","0.004","110.851","0.004","112.865","0.004","1887.9","0.9","296","2","296","2","","","","","","","","4","P -1","-P 1","2","","","","- C48 H53 N O2 -","- C48 H53 N O2 -","- C96 H106 N2 O4 -","2","1","","Hu, Jinyang; Liu, Rui; Zhai, Shengliang; Wu, Yanan; Zhang, Haozhe; Cheng, Hanting; Zhu, Hongjun","AIE-active molecule-based self-assembled nano-fibrous films for sensitive detection of volatile organic amines","Journal of Materials Chemistry C","2017","5","45","11781","","10.1039/C7TC03857G","","","0.71073","MoKα","","0.0712","0.0541","","","0.1435","0.1611","","","","","","1.047","","","","has coordinates","236644","2020-10-21","18:00:00",""
"7236934","10.4155","0.0005","17.9067","0.0008","14.6999","0.0007","90","","109.685","0.001","90","","2581.4","0.2","186","2","186","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","(pthpy)2Iracac","","- C31 H23 Ir N2 O2 S2 -","- C31 H23 Ir N2 O2 S2 -","- C124 H92 Ir4 N8 O8 S8 -","4","1","","Yan, Zhimin; Wang, Yanping; Wang, Jiaxiu; Wang, Yue; Ding, Junqiao; Wang, Lixiang","A novel furo[3,2-c]pyridine-based iridium complex for high-performance organic light-emitting diodes with over 30% external quantum efficiency","J. Mater. Chem. C","2017","5","39","10122","","10.1039/C7TC03937A","","","0.71073","MoKα","","0.0271","0.0234","","","0.0561","0.0578","","","","","","1.07","","","","has coordinates","236651","2020-10-21","18:00:00",""
"7236935","15.8143","0.001","17.4936","0.0011","10.0825","0.0006","90","","99.19","0.001","90","","2753.5","0.3","293","2","293","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","(pfupy)2Iracac","","- C32 H25 Cl2 Ir N2 O4 -","- C32 H25 Cl2 Ir N2 O4 -","- C128 H100 Cl8 Ir4 N8 O16 -","4","1","","Yan, Zhimin; Wang, Yanping; Wang, Jiaxiu; Wang, Yue; Ding, Junqiao; Wang, Lixiang","A novel furo[3,2-c]pyridine-based iridium complex for high-performance organic light-emitting diodes with over 30% external quantum efficiency","J. Mater. Chem. C","2017","5","39","10122","","10.1039/C7TC03937A","","","0.71073","MoKα","","0.0422","0.0356","","","0.1001","0.1056","","","","","","1.048","","","","has coordinates","236651","2020-10-21","18:00:00",""
"7236938","46.21","0.02","6.9886","0.001","24.593","0.013","90","","144.02","0.11","90","","4666","13","293","2","293","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","4-(4-(4-(diphenylamino)phenyl)-[1,2,5]thiadiazolo[3,4-c]pyridin-7-yl)benzonitrile","","- C30 H19 N5 S -","- C30 H19 N5 S -","- C240 H152 N40 S8 -","8","1","","Jiang, Jianxia; Li, Xianglong; Hanif, Muddasir; Zhou, Jiadong; Hu, Dehua; Su, Shijian; Xie, Zengqi; Gao, Yu; Yang, Bing; Ma, Yuguang","Pyridal[2,1,3]thiadiazole as strong electron-withdrawing and less sterically-hindered acceptor for highly efficient donor‒acceptor type NIR materials","Journal of Materials Chemistry C","2017","5","42","11053","","10.1039/C7TC03978F","","","1.54184","CuKα","","0.1467","0.0686","","","0.1527","0.2366","","","","","","0.994","","","","has coordinates","236654","2020-10-21","18:00:00",""
"7236939","21.127","0.006","6.0937","0.0016","7.625","0.002","90","","92.28","0.004","90","","980.9","0.5","296","2","296.15","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","Holmium salicylate succinate coordination network","","- C18 H16 Ho2 O12 -","- C18 H16 Ho2 O12 -","- C36 H32 Ho4 O24 -","2","0.5","","Godoy, Agustín A.; Gomez, Germán E.; Kaczmarek, Anna M.; Van Deun, Rik; Furlong, Octavio J.; Gándara, Felipe; Monge, María A.; Bernini, María C.; Narda, Griselda E.","Sensing properties, energy transfer mechanism and tuneable particle size processing of luminescent two-dimensional rare earth coordination networks","Journal of Materials Chemistry C","2017","5","47","12409","","10.1039/C7TC04006G","","","0.71073","MoKα","","0.1573","0.0947","","","0.2031","0.2452","","","","","","1.109","","","","has coordinates","236655","2020-10-21","18:00:00",""
"7236940","7.91","0.003","7.962","0.002","18.319","0.006","91.688","0.006","98.632","0.006","95.182","0.005","1134.9","0.6","173.15","","173.15","","","","","","","","","5","P -1","-P 1","2","","","","- C31 H19 N O3 S -","- C31 H19 N O3 S -","- C62 H38 N2 O6 S2 -","2","1","","Wei, Xiaofang; Chen, Yongzhen; Duan, Ruihong; Liu, Jianjun; Wang, Ruifang; Liu, Yanwei; Li, Zhiyi; Yi, Yuanping; Yamada-Takamura, Yukiko; Wang, Pengfei; Wang, Ying","Triplet decay-induced negative temperature dependence of the transient photoluminescence decay of thermally activated delayed fluorescence emitter","Journal of Materials Chemistry C","2017","5","46","12077","","10.1039/C7TC04025C","","","0.71073","MoKα","","0.0914","0.0731","","","0.1251","0.1347","","","","","","1.2","","","","has coordinates","236656","2020-10-21","18:00:00",""
"7236941","8.7548","0.0019","18.82","0.004","14.236","0.003","90","","104.606","0.003","90","","2269.8","0.8","173.15","","173.15","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C31 H19 N O3 S -","- C31 H19 N O3 S -","- C124 H76 N4 O12 S4 -","4","1","","Wei, Xiaofang; Chen, Yongzhen; Duan, Ruihong; Liu, Jianjun; Wang, Ruifang; Liu, Yanwei; Li, Zhiyi; Yi, Yuanping; Yamada-Takamura, Yukiko; Wang, Pengfei; Wang, Ying","Triplet decay-induced negative temperature dependence of the transient photoluminescence decay of thermally activated delayed fluorescence emitter","Journal of Materials Chemistry C","2017","5","46","12077","","10.1039/C7TC04025C","","","0.71073","MoKα","","0.0505","0.0476","","","0.1154","0.1172","","","","","","1.141","","","","has coordinates","236656","2020-10-21","18:00:00",""
"7236942","19.873","0.0014","12.805","0.0008","28.261","0.002","90","","103.88","0.003","90","","6981.7","0.8","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C72 H62 Ir2 N6 O5 -","- C72 H62 Ir2 N6 O2 -","- C288 H248 Ir8 N24 O8 -","4","1","","Jiang, Yang; Li, Guangfu; Zhu, Dongxia; Su, Zhongmin; Bryce, Martin R.","An AIE-active phosphorescent Ir(iii) complex with piezochromic luminescence (PCL) and its application for monitoring volatile organic compounds (VOCs)","Journal of Materials Chemistry C","2017","5","46","12189","","10.1039/C7TC04066K","","x-ray","0.71069","MoKα","","0.0972","0.0518","","","0.1288","0.1575","","","","","","1.085","","","","has coordinates,has disorder","236657","2020-10-21","18:00:00",""
"7236943","10.901","0.0004","12.5104","0.0004","12.7308","0.0004","86.193","0.002","69.763","0.003","89.82","0.003","1625.04","0.1","100","0.1","100","0.1","","","","","","","","3","P -1","-P 1","2","","CPBPMCN","","- C46 H28 N4 -","- C46 H28 N4 -","- C92 H56 N8 -","2","1","","Tan, Yu; Zhao, Zifeng; Shang, Liang; Liu, Yang; Wei, Chen; Li, Jiayi; Wei, Huibo; Liu, Zhiwei; Bian, Zuqiang; Huang, Chunhui","A novel bipolar D‒π‒A type phenanthroimidazole/carbazole hybrid material for high efficiency nondoped deep-blue organic light-emitting diodes with NTSC CIEy and low efficiency roll-off","Journal of Materials Chemistry C","2017","5","45","11901","","10.1039/C7TC04089J","","x-ray","0.71073","MoKα","","0.0493","0.0386","","","0.0947","0.1","","","","","","1.037","","","","has coordinates","236658","2020-10-21","18:00:00",""
"7236947","8.94","0.007","16.574","0.014","12.013","0.01","90","","90","","90","","1780","3","223","2","223","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C8 H22 Cl6 N2 Zn -","- C8 H22 Cl6 N2 Zn -","- C32 H88 Cl24 N8 Zn4 -","4","1","","Liao, Wei-Qiang; Gao, Ji-Xing; Hua, Xiu-Ni; Chen, Xiao-Gang; Lu, Yang","Unusual two-step sequential reversible phase transitions with coexisting switchable nonlinear optical and dielectric behaviors in [(CH3)3NCH2Cl]2[ZnCl4]","Journal of Materials Chemistry C","2017","5","45","11873","","10.1039/C7TC04095D","","","0.71073","MoKα","","0.0602","0.0455","","","0.0656","0.0707","","","","","","0.96","","","","has coordinates","236660","2020-10-21","18:00:00",""
"7236948","9.14","0.006","16.708","0.011","12.008","0.008","90","","93.347","0.012","90","","1831","2","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C8 H22 Cl6 N2 Zn -","- C8 H22 Cl6 N2 Zn -","- C32 H88 Cl24 N8 Zn4 -","4","1","","Liao, Wei-Qiang; Gao, Ji-Xing; Hua, Xiu-Ni; Chen, Xiao-Gang; Lu, Yang","Unusual two-step sequential reversible phase transitions with coexisting switchable nonlinear optical and dielectric behaviors in [(CH3)3NCH2Cl]2[ZnCl4]","Journal of Materials Chemistry C","2017","5","45","11873","","10.1039/C7TC04095D","","","0.71073","MoKα","","0.0943","0.0786","","","0.2226","0.2405","","","","","","1.009","","","","has coordinates","236660","2020-10-21","18:00:00",""
"7236949","9.16","0.011","16.94","0.02","12.125","0.014","90","","90","","90","","1881","4","348","2","348","2","","","","","","","","5","P m c n","-P 2n 2a","62","","","","- C8 H22 Cl6 N2 Zn -","- C8 H22 Cl6 N2 Zn -","- C32 H88 Cl24 N8 Zn4 -","4","0.5","","Liao, Wei-Qiang; Gao, Ji-Xing; Hua, Xiu-Ni; Chen, Xiao-Gang; Lu, Yang","Unusual two-step sequential reversible phase transitions with coexisting switchable nonlinear optical and dielectric behaviors in [(CH3)3NCH2Cl]2[ZnCl4]","Journal of Materials Chemistry C","2017","5","45","11873","","10.1039/C7TC04095D","","","0.71073","MoKα","","0.2877","0.2805","","","0.5163","0.5218","","","","","","1.02","","","","has coordinates","236660","2020-10-21","18:00:00",""
"7236954","9.0807","0.0007","12.8892","0.001","15.1975","0.0011","67.58","0.002","83.551","0.002","88.048","0.002","1633.8","0.2","296","2","296","2","","","","","","","","5","P -1","-P 1","2","","ClPPM","","- C81 H52 Cl4 N8 O4 -","- C81 H52 Cl4 N8 O4 -","- C81 H52 Cl4 N8 O4 -","1","0.5","","Xiang, Yepeng; Zhao, Yongbiao; Xu, Nan; Gong, Shaolong; Ni, Fan; Wu, Kailong; Luo, Jiajia; Xie, Guohua; Lu, Zheng-Hong; Yang, Chuluo","Halogen-induced internal heavy-atom effect shortening the emissive lifetime and improving the fluorescence efficiency of thermally activated delayed fluorescence emitters","Journal of Materials Chemistry C","2017","5","46","12204","","10.1039/C7TC04181K","","","0.71073","MoKα","","0.0964","0.0756","","","0.2298","0.2584","","","","","","0.978","","","","has coordinates,has disorder","236663","2020-10-21","18:00:00",""
"7236955","11.931","0.004","10.515","0.003","12.71","0.005","90","","117.644","0.004","90","","1412.5","0.8","173.15","","173.15","","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C17 H16 F N O3 -","- C17 H16 F N O3 -","- C68 H64 F4 N4 O12 -","4","1","","Li, Jinbiao; Wu, Yishi; Xu, Zhenzhen; Liao, Qing; Zhang, Haihua; Zhang, Yi; Xiao, Lu; Yao, Jiannian; Fu, Hongbing","Tuning the organic microcrystal laser wavelength of ESIPT-active compounds via controlling the excited enol* and keto* emissions","Journal of Materials Chemistry C","2017","5","46","12235","","10.1039/C7TC04207H","","","0.71073","MoKα","","0.0568","0.0528","","","0.1207","0.1233","","","","","","1.176","","","","has coordinates","236665","2020-10-21","18:00:00",""
"7236956","12.394","0.003","10.203","0.003","12.264","0.003","90","","115.798","0.002","90","","1396.3","0.6","173.15","","173.15","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C17 H16 F N O2 -","- C17 H16 F N O2 -","- C68 H64 F4 N4 O8 -","4","1","","Li, Jinbiao; Wu, Yishi; Xu, Zhenzhen; Liao, Qing; Zhang, Haihua; Zhang, Yi; Xiao, Lu; Yao, Jiannian; Fu, Hongbing","Tuning the organic microcrystal laser wavelength of ESIPT-active compounds via controlling the excited enol* and keto* emissions","Journal of Materials Chemistry C","2017","5","46","12235","","10.1039/C7TC04207H","","","0.71073","MoKα","","0.0463","0.0443","","","0.1053","0.1065","","","","","","1.12","","","","has coordinates","236665","2020-10-21","18:00:00",""
"7236957","15.6931","0.0004","10.3418","0.0003","15.164","0.0004","90","","90","","90","","2461.04","0.12","173","2","173","2","","","","","","","","5","P c a 21","P 2c -2ac","29","","","","- C24 H20 Cd N4 O11 -","- C24 H16 Cd N4 O10.9999 -","- C96 H64 Cd4 N16 O43.9996 -","4","1","","Sui, Qi; Yuan, Ye; Yang, Ning-Ning; Li, Xin; Gong, Teng; Gao, En-Qing; Wang, Lin","Coordination-modulated piezochromism in metal‒viologen materials","Journal of Materials Chemistry C","2017","5","47","12400","","10.1039/C7TC04208F","","","1.54178","CuKα","","0.0375","0.0362","","","0.1048","0.1057","","","","","","1.094","","","","has coordinates","236667","2020-10-21","18:00:00",""
"7236958","14.3281","0.0009","19.2115","0.0012","10.7242","0.0007","90","","111.511","0.0008","90","","2746.4","0.3","186","2","186","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","(4-MeOpfupy)2Ir(acac)","","- C33 H27 Ir N2 O6 -","- C33 H27 Ir N2 O6 -","- C132 H108 Ir4 N8 O24 -","4","0.5","","Yan, Zhimin; Wang, Yanping; Ding, Junqiao; Wang, Yue; Wang, Lixiang","Methoxyl modification in furo[3,2-c]pyridine-based iridium complexes towards highly efficient green- and orange-emitting electrophosphorescent devices","Journal of Materials Chemistry C","2017","5","46","12221","","10.1039/C7TC04269H","","","0.71073","MoKα","","0.0231","0.0208","","","0.0495","0.0506","","","","","","1.041","","","","has coordinates","236669","2020-10-21","18:00:00",""
"7236959","16.6206","0.0018","17.1087","0.0018","18.788","0.002","90","","90","","90","","5342.5","1","110","2","110","2","","","","","","","","3","I b c a","-I 2b 2c","73","","","","- C34 H36 O2 -","- C34 H36 O2 -","- C272 H288 O16 -","8","0.5","","Tian, Haiyan; Wang, Pengpeng; Liu, Jing; Duan, Yuxin; Dong, Yong Qiang","Construction of a tetraphenylethene derivative exhibiting high contrast and multicolored emission switching","Journal of Materials Chemistry C","2017","5","48","12785","","10.1039/C7TC04384H","","","0.71073","MoKα","","0.0597","0.0392","","","0.0841","0.0925","","","","","","1.038","","","","has coordinates","236671","2020-10-21","18:00:00",""
"7236960","13.6584","0.0013","5.7107","0.0006","36.606","0.004","90","","100.414","0.002","90","","2808.2","0.5","180","2","180","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C34 H36 O2 -","- C34 H36 O2 -","- C136 H144 O8 -","4","1","","Tian, Haiyan; Wang, Pengpeng; Liu, Jing; Duan, Yuxin; Dong, Yong Qiang","Construction of a tetraphenylethene derivative exhibiting high contrast and multicolored emission switching","Journal of Materials Chemistry C","2017","5","48","12785","","10.1039/C7TC04384H","","","0.71073","MoKα","","0.0841","0.0551","","","0.1383","0.1596","","","","","","1.025","","","","has coordinates,has disorder","236671","2020-10-21","18:00:00",""
"7236961","18.8041","0.0006","12.7049","0.0004","19.0559","0.0007","90","","112.425","0.001","90","","4208.3","0.2","100","2","100","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","2-(2,7-Bis(1,2,2-triphenylvinyl)-fluoren-9-ylidene)malononitrile","","- C56 H36 N2 -","- C56 H36 N2 -","- C224 H144 N8 -","4","1","","Chua, Ming Hui; Zhou, Hui; Lin, Ting Ting; Wu, Jishan; Xu, Jianwei","Triphenylethylenyl-based donor‒acceptor‒donor molecules: studies on structural and optical properties and AIE properties for cyanide detection","Journal of Materials Chemistry C","2017","5","46","12194","","10.1039/C7TC04400C","","","1.54178","CuKα","","0.0972","0.0869","","","0.2301","0.2408","","","","","","1.056","","","","has coordinates,has disorder","236673","2020-10-21","18:00:00",""
"7236962","22.5855","0.0014","15.8549","0.001","11.8676","0.0007","90","","92.183","0.002","90","","4246.6","0.5","100","2","100","2","","","","","","","","3","C 1 2/c 1","-C 2yc","15","","2,6-bis(1,2,2-triphenylvinyl)anthracene-9,10-dione","","- C58 H44 O3 -","- C58 H44 O3 -","- C232 H176 O12 -","4","0.5","","Chua, Ming Hui; Zhou, Hui; Lin, Ting Ting; Wu, Jishan; Xu, Jianwei","Triphenylethylenyl-based donor‒acceptor‒donor molecules: studies on structural and optical properties and AIE properties for cyanide detection","Journal of Materials Chemistry C","2017","5","46","12194","","10.1039/C7TC04400C","","","1.54178","CuKα","","0.0507","0.0466","","","0.1281","0.1314","","","","","","1.049","","","","has coordinates,has disorder","236673","2020-10-21","18:00:00",""
"7236963","14.0044","0.0003","12.8632","0.0003","22.7228","0.0005","90","","92.288","0.001","90","","4090.05","0.16","100","2","100","2","","","","","","","","3","C 1 2/c 1","-C 2yc","15","","2-(bis(4-(1,2,2-triphenylvinyl)phenyl)methylene)malononitrile","","- C56 H38 N2 -","- C56 H38 N2 -","- C224 H152 N8 -","4","0.5","","Chua, Ming Hui; Zhou, Hui; Lin, Ting Ting; Wu, Jishan; Xu, Jianwei","Triphenylethylenyl-based donor‒acceptor‒donor molecules: studies on structural and optical properties and AIE properties for cyanide detection","Journal of Materials Chemistry C","2017","5","46","12194","","10.1039/C7TC04400C","","","1.54178","CuKα","","0.0388","0.0359","","","0.0913","0.0935","","","","","","1.069","","","","has coordinates","236673","2020-10-21","18:00:00",""
"7236964","10.7918","0.0004","10.8195","0.0004","17.2771","0.0006","76.359","0.001","81.029","0.001","74.809","0.001","1882.35","0.12","100","2","100","2","","","","","","","","3","P -1","-P 1","2","","bis(4-(1,2,2-triphenylvinyl)phenyl)methanone","","- C53 H38 O -","- C53 H38 O -","- C106 H76 O2 -","2","1","","Chua, Ming Hui; Zhou, Hui; Lin, Ting Ting; Wu, Jishan; Xu, Jianwei","Triphenylethylenyl-based donor‒acceptor‒donor molecules: studies on structural and optical properties and AIE properties for cyanide detection","Journal of Materials Chemistry C","2017","5","46","12194","","10.1039/C7TC04400C","","","1.54178","CuKα","","0.0541","0.05","","","0.127","0.1304","","","","","","1.055","","","","has coordinates","236673","2020-10-21","18:00:00",""
"7236965","7.9503","0.0004","16.0571","0.0006","17.4515","0.0007","80.314","0.002","88.214","0.002","84.116","0.002","2184.29","0.16","100","2","100","2","","","","","","","","3","P -1","-P 1","2","","2,2'-(2,6-bis(1,2,2-triphenylvinyl)anthracene-9,10-diylidene)dimalononitrile","","- C60 H36 N4 -","- C60 H36 N4 -","- C120 H72 N8 -","2","1","","Chua, Ming Hui; Zhou, Hui; Lin, Ting Ting; Wu, Jishan; Xu, Jianwei","Triphenylethylenyl-based donor‒acceptor‒donor molecules: studies on structural and optical properties and AIE properties for cyanide detection","Journal of Materials Chemistry C","2017","5","46","12194","","10.1039/C7TC04400C","","","0.71073","MoKα","","0.0836","0.0528","","","0.127","0.1424","","","","","","1.019","","","","has coordinates","236673","2020-10-21","18:00:00",""
"7236966","12.1439","0.0005","9.0734","0.0003","37.6521","0.0014","90","","90.014","0.002","90","","4148.8","0.3","100","2","100","2","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","2,7-bis(1,2,2-triphenylvinyl)-fluoren-9-one","","- C56 H45 O2.75 -","- C56 H45 O2.75 -","- C224 H180 O11 -","4","1","","Chua, Ming Hui; Zhou, Hui; Lin, Ting Ting; Wu, Jishan; Xu, Jianwei","Triphenylethylenyl-based donor‒acceptor‒donor molecules: studies on structural and optical properties and AIE properties for cyanide detection","Journal of Materials Chemistry C","2017","5","46","12194","","10.1039/C7TC04400C","","","1.54178","CuKα","","0.05","0.0448","","","0.1165","0.1208","","","","","","1.027","","","","has coordinates,has disorder","236673","2020-10-21","18:00:00",""
"7236967","16.073","0.004","8.073","0.003","16.193","0.004","90","","117.877","0.007","90","","1857.3","1","173","2","173","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C26 H15 N O2 -","- C26 H15 N O2 -","- C104 H60 N4 O8 -","4","1","","Huang, Bin; Li, Zijing; Yang, Hui; Hu, Die; Wu, Wenjing; Feng, Yan; Sun, Yueming; Lin, Baoping; Jiang, Wei","Bicolour electroluminescence of 2-(carbazol-9-yl)anthraquinone based on a solution process","Journal of Materials Chemistry C","2017","5","46","12031","","10.1039/C7TC04444E","","","0.71073","MoKα","","0.1285","0.0719","","","0.1705","0.1996","","","","","","1.049","","","","has coordinates","236675","2020-10-21","18:00:00",""
"7236968","13.7811","0.0008","3.8536","0.0002","35.911","0.002","90","","94.057","0.002","90","","1902.34","0.18","173","2","173","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C26 H15 N O2 -","- C26 H15 N O2 -","- C104 H60 N4 O8 -","4","1","","Huang, Bin; Li, Zijing; Yang, Hui; Hu, Die; Wu, Wenjing; Feng, Yan; Sun, Yueming; Lin, Baoping; Jiang, Wei","Bicolour electroluminescence of 2-(carbazol-9-yl)anthraquinone based on a solution process","Journal of Materials Chemistry C","2017","5","46","12031","","10.1039/C7TC04444E","","","0.71073","MoKα","","0.082","0.0685","","","0.2107","0.2159","","","","","","1.599","","","","has coordinates","236675","2020-10-21","18:00:00",""
"7236972","8.273","0.0005","25.4125","0.0018","28.576","0.002","90","","90","","90","","6007.8","0.7","293","2","293","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","Binol-CHO","","- C76 H2.5 O8 -","- C76 H58 O8 -","- C304 H232 O32 -","4","1","","Venkatakrishnarao, Dasari; Sahoo, Chakradhar; Mamonov, Evgeniy A.; Novikov, Vladimir B.; Mitetelo, Nikolai V.; Naraharisetty, Sri Ram G.; Murzina, Tatiana V.; Chandrasekar, Rajadurai","Chiral organic photonics: self-assembled micro-resonators for an enhanced circular dichroism effect in the non-linear optical signal","Journal of Materials Chemistry C","2017","5","47","12349","","10.1039/C7TC04621A","","","0.71073","MoKα","","0.1661","0.0787","","","0.2015","0.2454","","","","","","1.014","","","","has coordinates","236679","2020-10-21","18:00:00",""
"7236973","11.5066","0.0015","10.2017","0.0013","12.3497","0.0016","90","","95.332","0.004","90","","1443.4","0.3","113","","113","","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C19 H12 Br N O -","- C19 H12 Br N O -","- C76 H48 Br4 N4 O4 -","4","1","","Liu, Yang; Zhan, Ge; Fang, Peiyu; Liu, Zhiwei; Bian, Zuqiang; Huang, Chunhui","Manipulating organic triplet harvesting in regioisomeric microcrystals","Journal of Materials Chemistry C","2017","5","47","12547","","10.1039/C7TC04634K","","","0.71073","MoKα","","0.023","0.0205","","","0.0565","0.057","","","","","","1.101","","","","has coordinates","236681","2020-10-21","18:00:00",""
"7236974","8.2389","0.0016","9.5522","0.0018","18.47","0.003","90","","91.861","0.005","90","","1452.8","0.5","113","2","113.15","","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C19 H12 Br N O -","- C19 H12 Br N O -","- C76 H48 Br4 N4 O4 -","4","1","","Liu, Yang; Zhan, Ge; Fang, Peiyu; Liu, Zhiwei; Bian, Zuqiang; Huang, Chunhui","Manipulating organic triplet harvesting in regioisomeric microcrystals","Journal of Materials Chemistry C","2017","5","47","12547","","10.1039/C7TC04634K","","","0.71073","MoKα","","0.0384","0.03","","","0.0734","0.0742","","","","","","0.933","","","","has coordinates","236681","2020-10-21","18:00:00",""
"7236975","21.5976","0.0018","7.7186","0.0004","18.3872","0.0016","90","","110.435","0.01","90","","2872.3","0.4","180","2","180","2","","","","","","","","5","I 1 2/a 1","-I 2ya","15","","","","- C19 H12 Br N O -","- C19 H12 Br N O -","- C152 H96 Br8 N8 O8 -","8","1","","Liu, Yang; Zhan, Ge; Fang, Peiyu; Liu, Zhiwei; Bian, Zuqiang; Huang, Chunhui","Manipulating organic triplet harvesting in regioisomeric microcrystals","Journal of Materials Chemistry C","2017","5","47","12547","","10.1039/C7TC04634K","","","0.71073","MoKα","","0.0843","0.0535","","","0.131","0.1498","","","","","","1.056","","","","has coordinates","236681","2020-10-21","18:00:00",""
"7236979","12.739","0.003","14.079","0.003","17.519","0.004","104.99","0.004","103.277","0.004","91.369","0.005","2942.4","1.2","273","","273","","","","","","","","","4","P -1","-P 1","2","","","","- C34 H39 N2 O4 -","- C34 H39 N2 O4 -","- C136 H156 N8 O16 -","4","2","","Akita, Takuya; Kiyohara, Daichi; Yamazaki, Taira; Uchida, Yoshiaki; Nishiyama, Norikazu","Large negative magneto-LC effects induced by racemic dimerization of liquid crystalline nitroxide radicals with a terminal cyano group","Journal of Materials Chemistry C","2017","5","47","12457","","10.1039/C7TC04699E","","","0.71075","MoKα","","0.1026","0.0526","","","0.1031","0.1192","","","","","","1.012","","","","has coordinates","236687","2020-10-21","18:00:00",""
"7236982","11.151","0.002","13.828","0.003","13.934","0.003","90","","112.2","0.03","90","","1989.3","0.8","153","2","153.15","","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C24 H20 B F2 N O3 -","- C24 H20 B F2 N O3 -","- C96 H80 B4 F8 N4 O12 -","4","1","","Chen, Peng-Zhong; Wang, Jian-Xin; Niu, Li-Ya; Chen, Yu-Zhe; Yang, Qing-Zheng","Carbazole-containing difluoroboron β-diketonate dyes: two-photon excited fluorescence in solution and grinding-induced blue-shifted emission in the solid state","Journal of Materials Chemistry C","2017","5","47","12538","","10.1039/C7TC04751G","","","0.71073","MoKα","","0.1116","0.0962","","","0.1763","0.1853","","","","","","1.238","","","","has coordinates","236691","2020-10-21","18:00:00",""
"7236983","21.231","0.004","9.2009","0.0018","16.416","0.003","90","","105.76","0.03","90","","3086.2","1.1","153","2","153.15","","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C18 H16 B F2 N O2 -","- C18 H16 B F2 N O2 -","- C144 H128 B8 F16 N8 O16 -","8","1","","Chen, Peng-Zhong; Wang, Jian-Xin; Niu, Li-Ya; Chen, Yu-Zhe; Yang, Qing-Zheng","Carbazole-containing difluoroboron β-diketonate dyes: two-photon excited fluorescence in solution and grinding-induced blue-shifted emission in the solid state","Journal of Materials Chemistry C","2017","5","47","12538","","10.1039/C7TC04751G","","","0.71073","MoKα","","0.1001","0.0839","","","0.1489","0.1722","","","","","","1.261","","","","has coordinates","236691","2020-10-21","18:00:00",""
"7236984","23.179","0.003","23.179","0.003","7.6814","0.0015","90","","90","","90","","4127","1.1","153","2","153.15","","","","","","","","","6","P 42/n :2","-P 4bc","86","","","","- C22 H19 B2 F4 N O4 -","- C22 H19 B2 F4 N O4 -","- C176 H152 B16 F32 N8 O32 -","8","1","","Chen, Peng-Zhong; Wang, Jian-Xin; Niu, Li-Ya; Chen, Yu-Zhe; Yang, Qing-Zheng","Carbazole-containing difluoroboron β-diketonate dyes: two-photon excited fluorescence in solution and grinding-induced blue-shifted emission in the solid state","Journal of Materials Chemistry C","2017","5","47","12538","","10.1039/C7TC04751G","","","0.71073","MoKα","","0.0955","0.091","","","0.1412","0.1425","","","","","","1.392","","","","has coordinates","236691","2020-10-21","18:00:00",""
"7236997","11.6942","0.0004","7.069","0.0002","13.1573","0.0005","90","","101.21","0.001","90","","1066.91","0.06","290","1","290","1","","","","","","","","5","P 1 n 1","P -2yac","7","","","","- C25 H23 N O5 S -","- C25 H23 N O5 S -","- C50 H46 N2 O10 S2 -","2","1","","Choi, Jae-Young; Lee, Seung-Jun; Lee, Seung-Chul; Jeong, Chan-Uk; Jazbinsek, Mojca; Yun, Hoseop; Kang, Bong Joo; Rotermund, Fabian; Kwon, O-Pil","Quinolinium single crystals with a high optical nonlinearity and unusual out-of-plane polar axis","Journal of Materials Chemistry C","2017","5","47","12602","","10.1039/C7TC04835A","","","0.7107","MoKα","","0.0376","0.0322","","","0.0836","0.0894","","","","","","1.087","","","","has coordinates","236700","2020-10-21","18:00:00",""
"7702117","8.9085","0.0006","13.5333","0.001","20.8343","0.0016","90","","90","","90","","2511.8","0.3","100","2","100.15","","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C16 H33 B18 Co2 N -","- C16 H33 B18 Co2 N -","- C64 H132 B72 Co8 N4 -","4","1","","Thiripuranathar, Gobika; Chan, Antony P. Y.; Mandal, Dipendu; Man, Wing Y.; Argentari, Mario; Rosair, Georgina M.; Welch, Alan J.","Double deboronation and homometalation of 1,1'-bis(ortho-carborane).","Dalton transactions (Cambridge, England : 2003)","2017","46","6","1811","1821","10.1039/c6dt04457c","","","0.71073","MoKα","","0.0987","0.0571","","","0.0866","0.1007","","","","","","1.032","","","","has coordinates","234765","2020-10-21","18:00:00",""
"7702118","7.5433","0.0008","14.348","0.0012","21.504","0.0017","90","","96.906","0.004","90","","2310.5","0.4","100","2","100.15","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C14 H30 B18 Co2 -","- C14 H30 B18 Co2 -","- C56 H120 B72 Co8 -","4","1","","Thiripuranathar, Gobika; Chan, Antony P. Y.; Mandal, Dipendu; Man, Wing Y.; Argentari, Mario; Rosair, Georgina M.; Welch, Alan J.","Double deboronation and homometalation of 1,1'-bis(ortho-carborane).","Dalton transactions (Cambridge, England : 2003)","2017","46","6","1811","1821","10.1039/c6dt04457c","","","0.71073","MoKα","","0.0501","0.0371","","","0.0748","0.0784","","","","","","1.046","","","","has coordinates","234765","2020-10-21","18:00:00",""
"7702119","11.6962","0.0013","15.9743","0.0017","12.9143","0.0013","90","","109.935","0.004","90","","2268.3","0.4","100","2","100.15","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C14 H30 B18 Co2 -","- C14 H30 B18 Co2 -","- C56 H120 B72 Co8 -","4","1","","Thiripuranathar, Gobika; Chan, Antony P. Y.; Mandal, Dipendu; Man, Wing Y.; Argentari, Mario; Rosair, Georgina M.; Welch, Alan J.","Double deboronation and homometalation of 1,1'-bis(ortho-carborane).","Dalton transactions (Cambridge, England : 2003)","2017","46","6","1811","1821","10.1039/c6dt04457c","","","0.71073","MoKα","","0.0662","0.0457","","","0.1105","0.1222","","","","","","1.014","","","","has coordinates","234765","2020-10-21","18:00:00",""
"7702120","10.5603","0.0005","26.9574","0.0012","9.0101","0.0004","90","","97.611","0.003","90","","2542.4","0.2","100","2","100.15","","","","","","","","","5","C 1 c 1","C -2yc","9","","","","- C16 H33 B18 Co2 N -","- C16 H33 B18 Co2 N -","- C64 H132 B72 Co8 N4 -","4","1","","Thiripuranathar, Gobika; Chan, Antony P. Y.; Mandal, Dipendu; Man, Wing Y.; Argentari, Mario; Rosair, Georgina M.; Welch, Alan J.","Double deboronation and homometalation of 1,1'-bis(ortho-carborane).","Dalton transactions (Cambridge, England : 2003)","2017","46","6","1811","1821","10.1039/c6dt04457c","","","0.71073","MoKα","","0.0421","0.0352","","","0.0633","0.0656","","","","","","0.984","","","","has coordinates","234765","2020-10-21","18:00:00",""
"7702121","11.6943","0.0005","13.8151","0.0005","14.4745","0.0006","90","","90","","90","","2338.47","0.16","100","2","100","2","","","","","","","","4","C m c e","-C 2ac 2","64","","","","- C14 H30 B18 Co2 -","- C14 H30 B18 Co2 -","- C56 H120 B72 Co8 -","4","0.25","","Thiripuranathar, Gobika; Chan, Antony P. Y.; Mandal, Dipendu; Man, Wing Y.; Argentari, Mario; Rosair, Georgina M.; Welch, Alan J.","Double deboronation and homometalation of 1,1'-bis(ortho-carborane).","Dalton transactions (Cambridge, England : 2003)","2017","46","6","1811","1821","10.1039/c6dt04457c","","x-ray","0.71073","MoKα","","0.0224","0.0216","","","0.0585","0.0591","","","","","","1.087","","","","has coordinates,has disorder","234765","2020-10-21","18:00:00",""
"7702122","9.3011","0.0006","41.899","0.003","9.395","0.0006","90","","113.751","0.002","90","","3351.2","0.4","120","","120.15","","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C24 H48 B18 Ru2 -","- C24 H48 B18 Ru2 -","- C96 H192 B72 Ru8 -","4","1","","Thiripuranathar, Gobika; Chan, Antony P. Y.; Mandal, Dipendu; Man, Wing Y.; Argentari, Mario; Rosair, Georgina M.; Welch, Alan J.","Double deboronation and homometalation of 1,1'-bis(ortho-carborane).","Dalton transactions (Cambridge, England : 2003)","2017","46","6","1811","1821","10.1039/c6dt04457c","","","0.71073","MoKα","","0.0769","0.0657","","","0.1228","0.1307","","","","","","1.276","","","","has coordinates,has disorder","234765","2020-10-21","18:00:00",""
"7702123","8.8436","0.0012","10.5897","0.0011","11.103","0.002","116.225","0.006","101.483","0.007","104.113","0.005","846.5","0.2","100","","100.15","","","","","","","","","4","P -1","-P 1","2","","","","- C24 H54 B18 N2 -","- C24 H52.52 B18 N2 -","- C24 H52.52 B18 N2 -","1","0.5","","Thiripuranathar, Gobika; Chan, Antony P. Y.; Mandal, Dipendu; Man, Wing Y.; Argentari, Mario; Rosair, Georgina M.; Welch, Alan J.","Double deboronation and homometalation of 1,1'-bis(ortho-carborane).","Dalton transactions (Cambridge, England : 2003)","2017","46","6","1811","1821","10.1039/c6dt04457c","","","0.71073","MoKα","","0.0773","0.0495","","","0.1184","0.1328","","","","","","1.026","","","","has coordinates,has disorder","234765","2020-10-21","18:00:00",""
"7702124","19.19","0.002","10.7869","0.0011","17.9357","0.0017","90","","116.289","0.004","90","","3328.7","0.6","100","","100.15","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C24 H48 B18 Ru2 -","- C24 H48 B18 Ru2 -","- C96 H192 B72 Ru8 -","4","1","","Thiripuranathar, Gobika; Chan, Antony P. Y.; Mandal, Dipendu; Man, Wing Y.; Argentari, Mario; Rosair, Georgina M.; Welch, Alan J.","Double deboronation and homometalation of 1,1'-bis(ortho-carborane).","Dalton transactions (Cambridge, England : 2003)","2017","46","6","1811","1821","10.1039/c6dt04457c","","","0.71073","MoKα","","0.1164","0.0613","","","0.1431","0.1714","","","","","","1.011","","","","has coordinates,has disorder","234765","2020-10-21","18:00:00",""
"7702125","11.5229","0.0006","14.4999","0.0008","18.9095","0.0011","65.367","0.001","70.676","0.002","83.183","0.002","2709.4","0.3","171","2","171","2","","","","","","","","6","P -1","-P 1","2","","","","- C54 H54 B4 Cl6 Fe2 O8 -","- C54 H54 B4 Cl6 Fe2 O8 -","- C108 H108 B8 Cl12 Fe4 O16 -","2","1","","Ono, Kosuke; Tohyama, Yohei; Uchikura, Tatsuhiro; Kikuchi, Yuji; Fujii, Kotaro; Uekusa, Hidehiro; Iwasawa, Nobuharu","Control of the reversibility during boronic ester formation: application to the construction of ferrocene dimers and trimers.","Dalton transactions (Cambridge, England : 2003)","2017","46","7","2370","2376","10.1039/c6dt04845e","","x-ray","0.71075","MoKα","","0.0839","0.0629","","","0.1646","0.18","","","","","","1.052","","","","has coordinates","234767","2020-10-21","18:00:00",""
"7702126","10.6429","0.0005","15.1158","0.001","7.5906","0.0004","100.477","0.0035","99.7785","0.0018","107.447","0.002","1112.3","0.11","","","","","","","","","","","","5","P -1","-P 1","2","","","","- C26 H26 B2 Fe O4 -","- C26 H26 B2 Fe O4 -","- C52 H52 B4 Fe2 O8 -","2","1","","Ono, Kosuke; Tohyama, Yohei; Uchikura, Tatsuhiro; Kikuchi, Yuji; Fujii, Kotaro; Uekusa, Hidehiro; Iwasawa, Nobuharu","Control of the reversibility during boronic ester formation: application to the construction of ferrocene dimers and trimers.","Dalton transactions (Cambridge, England : 2003)","2017","46","7","2370","2376","10.1039/c6dt04845e","powder diffraction","","","","","","","","","","","","","2.11","","","","","","","has coordinates","234767","2020-10-21","18:00:00",""
"7702127","13.2454","0.0005","20.543","0.0008","22.8531","0.0009","90","","90","","90","","6218.3","0.4","173","2","173","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C72 H72 B4 Fe4 O8 -","- C72 H72 B4 Fe4 O8 -","- C288 H288 B16 Fe16 O32 -","4","0.5","","Ono, Kosuke; Tohyama, Yohei; Uchikura, Tatsuhiro; Kikuchi, Yuji; Fujii, Kotaro; Uekusa, Hidehiro; Iwasawa, Nobuharu","Control of the reversibility during boronic ester formation: application to the construction of ferrocene dimers and trimers.","Dalton transactions (Cambridge, England : 2003)","2017","46","7","2370","2376","10.1039/c6dt04845e","","x-ray","1.54186","CuKα","","0.212","0.1325","","","0.305","0.4094","","","","","","1.172","","","","has coordinates","234767","2020-10-21","18:00:00",""
"7702128","17.8735","0.0009","20.9554","0.0014","20.7462","0.0013","90","","90","","90","","7770.4","0.8","173","2","173","2","","","","","","","","5","A e a 2","A 2 -2ab","41","","","","- C18 H10 N10 O8 Zn2 -","- C18 H10 N10 O8 Zn2 -","- C144 H80 N80 O64 Zn16 -","8","1","","Li, Qin; Yu, Mei-Hui; Xu, Jian; Li, Ai-Lin; Hu, Tong-Liang; Bu, Xian-He","Two new metal-organic frameworks based on tetrazole-heterocyclic ligands accompanied by in situ ligand formation.","Dalton transactions (Cambridge, England : 2003)","2017","46","10","3223","3228","10.1039/c7dt00005g","","","0.71073","MoKα","","0.11","0.0813","","","0.2076","0.223","","","","","","1.053","","","","has coordinates","235629","2020-10-21","18:00:00",""
"7702129","22.552","0.005","22.119","0.004","19.125","0.004","90","","114.67","0.03","90","","8669","4","293","2","293","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C18 H8 Cd2 N10 O8 -","- C18 H8 Cd2 N10 O8 -","- C144 H64 Cd16 N80 O64 -","8","1","","Li, Qin; Yu, Mei-Hui; Xu, Jian; Li, Ai-Lin; Hu, Tong-Liang; Bu, Xian-He","Two new metal-organic frameworks based on tetrazole-heterocyclic ligands accompanied by in situ ligand formation.","Dalton transactions (Cambridge, England : 2003)","2017","46","10","3223","3228","10.1039/c7dt00005g","","","0.71075","MoKα","","0.1609","0.0934","","","0.2841","0.3189","","","","","","1.018","","","","has coordinates","235629","2020-10-21","18:00:00",""
"7702130","23.9792","0.001","29.3525","0.0012","18.8532","0.0008","90","","90","","90","","13269.8","1","173","2","173","2","","","","","","","","5","A e a 2","A 2 -2ab","41","","","","- C60 H68 Br Fe N8 -","- C60 H68 Br Fe N8 -","- C480 H544 Br8 Fe8 N64 -","8","1","","Simler, Thomas; Danopoulos, Andreas A.; Braunstein, Pierre","Non-symmetrical, potentially redox non-innocent imino NHC pyridine 'pincers' via a zinc ion template-assisted synthesis.","Dalton transactions (Cambridge, England : 2003)","2017","46","18","5955","5964","10.1039/c7dt01014a","","","0.71073","MoKα","","0.104","0.0497","","","0.0804","0.0908","","","","","","0.875","","","","has coordinates","235633","2020-10-21","18:00:00",""
"7702131","11.2073","0.0014","13.8988","0.0019","20.84","0.003","96.111","0.003","96.654","0.003","100.812","0.003","3139.6","0.7","173","2","173","2","","","","","","","","4","P -1","-P 1","2","","","","- C60 H68 Fe N8 -","- C60 H68 Fe N8 -","- C120 H136 Fe2 N16 -","2","1","","Simler, Thomas; Danopoulos, Andreas A.; Braunstein, Pierre","Non-symmetrical, potentially redox non-innocent imino NHC pyridine 'pincers' via a zinc ion template-assisted synthesis.","Dalton transactions (Cambridge, England : 2003)","2017","46","18","5955","5964","10.1039/c7dt01014a","","","0.71073","MoKα","","0.1314","0.0982","","","0.221","0.2331","","","","","","1.048","","","","has coordinates","235633","2020-10-21","18:00:00",""
"7702132","14.1615","0.0003","14.1615","0.0003","22.7112","0.0007","90","","90","","120","","3944.48","0.17","173","2","173","2","","","","","","","","6","P 31 2 1","P 31 2""","152","","","","- C18 H21 Br Cl2 N2 Zn -","- C18 H21 Br Cl2 N2 Zn -","- C108 H126 Br6 Cl12 N12 Zn6 -","6","1","","Simler, Thomas; Danopoulos, Andreas A.; Braunstein, Pierre","Non-symmetrical, potentially redox non-innocent imino NHC pyridine 'pincers' via a zinc ion template-assisted synthesis.","Dalton transactions (Cambridge, England : 2003)","2017","46","18","5955","5964","10.1039/c7dt01014a","","","0.71073","MoKα","","0.1044","0.0675","","","0.1679","0.1818","","","","","","0.952","","","","has coordinates","235633","2020-10-21","18:00:00",""
"7702133","15.6558","0.0005","25.4691","0.0008","16.3904","0.0005","90","","90","","90","","6535.5","0.4","295","2","295","2","","","","","","","","6","C c c a :2","-C 2a 2ac","68","","","","- C20.5 H36 Cl4 Co2 O10 P2 -","- C20.5 H36 Cl4 Co2 O10 P2 -","- C164 H288 Cl32 Co16 O80 P16 -","8","0.5","","Zaręba, J K; Janczak, J.; Samoć, M; Nyk, M.","Spectrally-resolved third-harmonic generation and the fundamental role of O-HCl hydrogen bonding in O<sub>h</sub>, T<sub>d</sub>-cobalt(ii) tetraphenylmethane-based coordination polymers.","Dalton transactions (Cambridge, England : 2003)","2017","46","29","9349","9357","10.1039/c7dt01518f","","","0.71073","MoKα","","0.0684","0.029","","","0.0567","0.0742","","","","","","1.028","","","","has coordinates","235636","2020-10-21","18:00:00",""
"7702134","27.857","0.002","27.857","0.002","10.0365","0.0007","90","","90","","120","","6745","0.8","173","2","173.15","","","","","","","","","6","P 62 2 2","P 62 2 (0 0 4)","180","","","","- C42 H46 Co N6 Ni2 O24 -","- C42 H46 Co N6 Ni2 O24 -","- C126 H138 Co3 N18 Ni6 O72 -","3","0.25","","Kumar, Gulshan; Hussain, Firasat; Gupta, Rajeev","Carbon-sulphur cross coupling reactions catalyzed by nickel-based coordination polymers based on metalloligands.","Dalton transactions (Cambridge, England : 2003)","2017","46","43","15023","15031","10.1039/c7dt02064c","","","0.71073","MoKα","","0.0712","0.0543","","","0.0995","0.1054","","","","","","0.944","","","","has coordinates","235642","2020-10-21","18:00:00",""
"7702135","17.2696","0.0006","9.3366","0.0004","19.6855","0.0008","90","","114.432","0.002","90","","2889.8","0.2","100","2","100","2","","","","","","","synthesis as described","6","P 1 21/c 1","-P 2ybc","14","","","","- C42 H20 Au2 Cl24 Cu2 N8 -","- C42 H20 Au2 Cl24 Cu2 N8 -","- C84 H40 Au4 Cl48 Cu4 N16 -","2","0.5","","Donamaría, Rocío; Fernández, Eduardo J; López-de-Luzuriaga, José M; Monge, Miguel; Olmos, M. Elena; Pascual, David; Rodríguez-Castillo, María","New Au(i)-Cu(i) heterometallic complexes: the role of bridging pyridazine ligands in the presence of unsupported metallophilic interactions.","Dalton transactions (Cambridge, England : 2003)","2017","46","33","10941","10949","10.1039/c7dt02229h","","x-ray","0.71073","MoKα","","0.0538","0.0346","","","0.0681","0.0743","","","","","","1.016","","","","has coordinates","235644","2020-10-21","18:00:00",""
"7702136","24.7868","0.0009","8.6947","0.0004","23.9456","0.0008","90","","103.147","0.002","90","","5025.3","0.3","173","2","173","2","","","","","","","synthesis as described","6","C 1 2/c 1","-C 2yc","15","","","","- C42 H21 Au2 Cu2 F20 N9 -","- C42 H21 Au2 Cu2 F20 N9 -","- C168 H84 Au8 Cu8 F80 N36 -","4","0.5","","Donamaría, Rocío; Fernández, Eduardo J; López-de-Luzuriaga, José M; Monge, Miguel; Olmos, M. Elena; Pascual, David; Rodríguez-Castillo, María","New Au(i)-Cu(i) heterometallic complexes: the role of bridging pyridazine ligands in the presence of unsupported metallophilic interactions.","Dalton transactions (Cambridge, England : 2003)","2017","46","33","10941","10949","10.1039/c7dt02229h","","x-ray","0.71073","MoKα","","0.0698","0.0452","","","0.1066","0.1172","","","","","","1.051","","","","has coordinates","235644","2020-10-21","18:00:00",""
"7702137","9.7974","0.0006","10.5787","0.0008","14.3373","0.0012","79.561","0.004","80.649","0.005","65.175","0.005","1320.11","0.18","110","2","110","2","","","","","","","synthesis as described","6","P -1","-P 1","2","","","","- C40 H20 Au2 Cl20 Cu2 N8 -","- C40 H20 Au2 Cl20 Cu2 N8 -","- C40 H20 Au2 Cl20 Cu2 N8 -","1","0.5","","Donamaría, Rocío; Fernández, Eduardo J; López-de-Luzuriaga, José M; Monge, Miguel; Olmos, M. Elena; Pascual, David; Rodríguez-Castillo, María","New Au(i)-Cu(i) heterometallic complexes: the role of bridging pyridazine ligands in the presence of unsupported metallophilic interactions.","Dalton transactions (Cambridge, England : 2003)","2017","46","33","10941","10949","10.1039/c7dt02229h","","x-ray","0.71073","MoKα","","0.0447","0.0351","","","0.0887","0.0944","","","","","","1.045","","","","has coordinates","235644","2020-10-21","18:00:00",""
"7702138","10.7353","0.0003","16.2907","0.0005","13.7091","0.0003","90","","95.421","0.002","90","","2386.8","0.11","173","2","173","2","","","","","","","synthesis as described","7","P 1 21/a 1","-P 2yab","14","","","","- C40.5 H17 Au2 Cl Cu2 F20 N8 -","- C40.5 H17 Au2 Cl Cu2 F20 N8 -","- C81 H34 Au4 Cl2 Cu4 F40 N16 -","2","0.5","","Donamaría, Rocío; Fernández, Eduardo J; López-de-Luzuriaga, José M; Monge, Miguel; Olmos, M. Elena; Pascual, David; Rodríguez-Castillo, María","New Au(i)-Cu(i) heterometallic complexes: the role of bridging pyridazine ligands in the presence of unsupported metallophilic interactions.","Dalton transactions (Cambridge, England : 2003)","2017","46","33","10941","10949","10.1039/c7dt02229h","","x-ray","0.71073","MoKα","","0.06","0.0401","","","0.106","0.1162","","","","","","1.055","","","","has coordinates","235644","2020-10-21","18:00:00",""
"7702139","24.0303","0.0003","15.93","0.0002","17.5507","0.0003","90","","90","","90","","6718.45","0.17","153","2","153","2","","","","","","","","8","C m c e","-C 2ac 2","64","","","","- C30 H26 Cl2 F3 Ir N6 O3 S -","- C29 H24 F3 Ir N6 O3 S -","- C232 H192 F24 Ir8 N48 O24 S8 -","8","0.5","","Wu, Na; Cao, Jian-Jun; Wu, Xiao-Wen; Tan, Cai-Ping; Ji, Liang-Nian; Mao, Zong-Wan","Iridium(iii) complexes with five-membered heterocyclic ligands for combined photodynamic therapy and photoactivated chemotherapy.","Dalton transactions (Cambridge, England : 2003)","2017","46","39","13482","13491","10.1039/c7dt02477k","","","1.54178","CuKα","","0.0837","0.078","","","0.2275","0.2401","","","","","","1.074","","","","has coordinates","235647","2020-10-21","18:00:00",""
"7702151","5.60643","0.00011","12.4389","0.00022","5.37101","0.0001","90","","105.756","0.001","90","","360.489","0.012","298","","298","","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C3 Mn N O7 P -","- C3 Mn N O7 P -","- C6 Mn2 N2 O14 P2 -","2","1","","Vallejo, J.; Salcedo, I. R.; Colodrero, R. M. P.; Cabeza, A.; Switlicka, A.; Cano, J.; Viciano-Chumillas, M","Zinc(ii), cobalt(ii) and manganese(ii) networks with phosphoserine ligand: synthesis, crystal structures and magnetic and proton conductivity properties.","Dalton transactions (Cambridge, England : 2003)","2017","46","47","16570","16579","10.1039/c7dt03474a","powder diffraction","x-ray","0.7093","MoKα~1~","","","","","","","","0.04086","","1.74","","","","","","","has coordinates","235657","2020-10-21","18:00:00",""
"7702152","5.4372","0.0004","9.9568","0.0007","7.6434","0.0007","90","","98.03","0.008","90","","409.73","0.06","295","2","295","2","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C3 H10 Co N O8 P -","- C3 H10 Co N O8 P -","- C6 H20 Co2 N2 O16 P2 -","2","1","","Vallejo, J.; Salcedo, I. R.; Colodrero, R. M. P.; Cabeza, A.; Switlicka, A.; Cano, J.; Viciano-Chumillas, M","Zinc(ii), cobalt(ii) and manganese(ii) networks with phosphoserine ligand: synthesis, crystal structures and magnetic and proton conductivity properties.","Dalton transactions (Cambridge, England : 2003)","2017","46","47","16570","16579","10.1039/c7dt03474a","","","0.71073","MoKα","","0.0338","0.0307","","","0.0621","0.0635","","","","","","1.031","","","","has coordinates","235657","2020-10-21","18:00:00",""
"7702153","5.1818","0.0006","7.6909","0.0009","17.7166","0.0015","90","","90","","90","","706.05","0.13","295","2","295","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C3 H6 N O6 P Zn -","- C3 H6 N O6 P Zn -","- C12 H24 N4 O24 P4 Zn4 -","4","1","","Vallejo, J.; Salcedo, I. R.; Colodrero, R. M. P.; Cabeza, A.; Switlicka, A.; Cano, J.; Viciano-Chumillas, M","Zinc(ii), cobalt(ii) and manganese(ii) networks with phosphoserine ligand: synthesis, crystal structures and magnetic and proton conductivity properties.","Dalton transactions (Cambridge, England : 2003)","2017","46","47","16570","16579","10.1039/c7dt03474a","","","0.71073","MoKα","","0.0419","0.0335","","","0.0635","0.0666","","","","","","1.055","","","","has coordinates","235657","2020-10-21","18:00:00",""
"7702154","5.202","0.004","7.7413","0.0004","17.7009","0.0013","90","","90","","90","","712.8","0.6","295","2","295","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C3 H6 Co N O6 P -","- C3 H6 Co N O6 P -","- C12 H24 Co4 N4 O24 P4 -","4","1","","Vallejo, J.; Salcedo, I. R.; Colodrero, R. M. P.; Cabeza, A.; Switlicka, A.; Cano, J.; Viciano-Chumillas, M","Zinc(ii), cobalt(ii) and manganese(ii) networks with phosphoserine ligand: synthesis, crystal structures and magnetic and proton conductivity properties.","Dalton transactions (Cambridge, England : 2003)","2017","46","47","16570","16579","10.1039/c7dt03474a","","","0.71073","MoKα","","0.0363","0.0296","","","0.0609","0.0637","","","","","","1.063","","","","has coordinates","235657","2020-10-21","18:00:00",""
"7702162","10.5112","0.0006","13.1936","0.0007","13.8181","0.0008","89.653","0.002","87.507","0.002","71.931","0.002","1820.02","0.18","193","2","193","2","","","","","","","","6","P -1","-P 1","2","","","","- C40 H39 Mo N2 O7 P -","- C40 H39 Mo N2 O7 P -","- C80 H78 Mo2 N4 O14 P2 -","2","1","","Begines, Emilio; Carrasco, Carlos J.; Montilla, Francisco; Álvarez, Eleuterio; Marchetti, Fabio; Pettinari, Riccardo; Pettinari, Claudio; Galindo, Agustín","Oxidoperoxidomolybdenum(vi) complexes with acylpyrazolonate ligands: synthesis, structure and catalytic properties.","Dalton transactions (Cambridge, England : 2003)","2017","47","1","197","208","10.1039/c7dt03939e","","","0.71073","MoKα","","0.0285","0.0265","","","0.073","0.0743","","","","","","1.055","","","","has coordinates","235677","2020-10-21","18:00:00",""
"7702163","9.7458","0.0002","20.3853","0.0004","17.2757","0.0003","90","","90","","90","","3432.18","0.11","193","2","193","2","","","","","","","","5","A e a 2","A 2 -2ab","41","","","","- C34 H42 Mo N4 O7 -","- C34 H42 Mo N4 O7 -","- C136 H168 Mo4 N16 O28 -","4","0.5","","Begines, Emilio; Carrasco, Carlos J.; Montilla, Francisco; Álvarez, Eleuterio; Marchetti, Fabio; Pettinari, Riccardo; Pettinari, Claudio; Galindo, Agustín","Oxidoperoxidomolybdenum(vi) complexes with acylpyrazolonate ligands: synthesis, structure and catalytic properties.","Dalton transactions (Cambridge, England : 2003)","2017","47","1","197","208","10.1039/c7dt03939e","","","0.71073","MoKα","","0.0239","0.0231","","","0.051","0.0512","","","","","","1.168","","","","has coordinates,has disorder","235677","2020-10-21","18:00:00",""
"7702164","9.5954","0.0008","20.5989","0.0014","17.1471","0.0014","90","","90","","90","","3389.2","0.5","193","2","193","2","","","","","","","","5","A e a 2","A 2 -2ab","41","","","","- C34 H42 Mo N4 O6 -","- C34 H42 Mo N4 O6 -","- C136 H168 Mo4 N16 O24 -","4","0.5","","Begines, Emilio; Carrasco, Carlos J.; Montilla, Francisco; Álvarez, Eleuterio; Marchetti, Fabio; Pettinari, Riccardo; Pettinari, Claudio; Galindo, Agustín","Oxidoperoxidomolybdenum(vi) complexes with acylpyrazolonate ligands: synthesis, structure and catalytic properties.","Dalton transactions (Cambridge, England : 2003)","2017","47","1","197","208","10.1039/c7dt03939e","","","0.71073","MoKα","","0.05","0.0448","","","0.1012","0.105","","","","","","1.084","","","","has coordinates","235677","2020-10-21","18:00:00",""
"7702165","9.0124","0.0004","13.5773","0.0007","13.8352","0.0007","78.094","0.002","73.696","0.002","82.144","0.002","1584.29","0.14","213","2","213","2","","","","","","","","5","P -1","-P 1","2","","","","- C32 H38 Mo N4 O7 -","- C32 H38 Mo N4 O7 -","- C64 H76 Mo2 N8 O14 -","2","1","","Begines, Emilio; Carrasco, Carlos J.; Montilla, Francisco; Álvarez, Eleuterio; Marchetti, Fabio; Pettinari, Riccardo; Pettinari, Claudio; Galindo, Agustín","Oxidoperoxidomolybdenum(vi) complexes with acylpyrazolonate ligands: synthesis, structure and catalytic properties.","Dalton transactions (Cambridge, England : 2003)","2017","47","1","197","208","10.1039/c7dt03939e","","","0.71073","MoKα","","0.0331","0.0288","","","0.0731","0.0749","","","","","","1.058","","","","has coordinates,has disorder","235677","2020-10-21","18:00:00",""
"7702166","10.1318","0.0004","13.3189","0.0006","13.8696","0.0006","88.538","0.001","84.417","0.001","71.831","0.001","1769.85","0.13","193","2","193","2","","","","","","","","7","P -1","-P 1","2","","","","- C37 H28 F5 Mo N2 O7 P -","- C37 H28 F5 Mo N2 O7 P -","- C74 H56 F10 Mo2 N4 O14 P2 -","2","1","","Begines, Emilio; Carrasco, Carlos J.; Montilla, Francisco; Álvarez, Eleuterio; Marchetti, Fabio; Pettinari, Riccardo; Pettinari, Claudio; Galindo, Agustín","Oxidoperoxidomolybdenum(vi) complexes with acylpyrazolonate ligands: synthesis, structure and catalytic properties.","Dalton transactions (Cambridge, England : 2003)","2017","47","1","197","208","10.1039/c7dt03939e","","","0.71073","MoKα","","0.031","0.0292","","","0.0787","0.0801","","","","","","1.044","","","","has coordinates","235677","2020-10-21","18:00:00",""
"8000235","33.897","0.006","7.329","0.001","21.104","0.004","90","","100.329","0.004","90","","5157.9","1.5","100","2","99.97","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","B2 perylene diimide","2,9-di(pentan-3-yl)anthra[2,1,9-def:6,5,10-d'e'f']diisoquinoline- 1,3,8,10(2H,9H)-tetraone","","- C34 H29.5 N2 O4 -","- C34 H29.5 N2 O4 -","- C272 H236 N16 O32 -","8","2","","Austin, Ashli; Hestand, Nicholas J.; McKendry, Ian G.; Zhong, Chuwei; Zhu, Xuanyu; Zdilla, Michael J.; Spano, Frank C.; Szarko, Jodi M.","Enhanced Davydov Splitting in Crystals of a Perylene Diimide Derivative.","The journal of physical chemistry letters","2017","","","1118","1123","10.1021/acs.jpclett.7b00283","","","0.71073","MoKα","","0.0833","0.0501","","","0.1248","0.1524","","","","","","1.068","","","","has coordinates,has disorder","192660","2020-10-21","18:00:00",""
"8000236","26.4855","0.0012","34.211","0.002","21.8681","0.001","90","","90","","90","","19814.6","1.7","240","2","240","2","","","","","","","","4","C c c a :2","-C 2a 2ac","68","Au28(SR)20","","","- C120 H220 Au28 S20 -","- C120 H220 Au28 S20 -","- C480 H880 Au112 S80 -","4","0.25","","Higaki, Tatsuya; Liu, Chong; Chen, Yuxiang; Zhao, Shuo; Zeng, Chenjie; Jin, Renxi; Wang, Shuxin; Rosi, Nathaniel L.; Jin, Rongchao","Oxidation-Induced Transformation of Eight-Electron Gold Nanoclusters: [Au23(SR)16](-) to [Au28(SR)20](0).","The journal of physical chemistry letters","2017","8","4","866","870","10.1021/acs.jpclett.6b03061","","","1.54178","CuKα","","0.2558","0.1684","","","0.3882","0.4629","","","","","","1.529","","","","has coordinates","211175","2020-10-21","18:00:00",""
"8000237","21.8001","0.0005","9.0461","0.0002","19.7453","0.0005","90","","128.902","0.001","90","","3030.3","0.13","200","2","200","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C18 H16 O4 S -","- C18 H16 O4 S -","- C144 H128 O32 S8 -","8","1","","Wiedbrauk, Sandra; Maerz, Benjamin; Samoylova, Elena; Mayer, Peter; Zinth, Wolfgang; Dube, Henry","Ingredients to TICT Formation in Donor Substituted Hemithioindigo.","The journal of physical chemistry letters","2017","8","7","1585","1592","10.1021/acs.jpclett.7b00371","","","0.71073","MoKα","","0.05","0.0354","","","0.0831","0.0905","","","","","","1.025","","","","has coordinates","196162","2020-10-21","18:00:00",""
"8000238","13.5107","0.0004","8.4433","0.0002","13.5676","0.0004","90","","109.311","0.001","90","","1460.64","0.07","100","2","100","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","12","","","- C18 H16 O S -","- C18 H16 O S -","- C72 H64 O4 S4 -","4","1","","Wiedbrauk, Sandra; Maerz, Benjamin; Samoylova, Elena; Mayer, Peter; Zinth, Wolfgang; Dube, Henry","Ingredients to TICT Formation in Donor Substituted Hemithioindigo.","The journal of physical chemistry letters","2017","8","7","1585","1592","10.1021/acs.jpclett.7b00371","","","0.71073","MoKα","","0.0605","0.0404","","","0.0933","0.107","","","","","","1.066","","","","has coordinates","196162","2020-10-21","18:00:00",""
"8000239","8.6197","0.0005","13.3862","0.0008","13.6456","0.0009","90","","102.746","0.0019","90","","1535.7","0.16","100","2","100","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C20 H20 O S -","- C20 H20 O S -","- C80 H80 O4 S4 -","4","1","","Wiedbrauk, Sandra; Maerz, Benjamin; Samoylova, Elena; Mayer, Peter; Zinth, Wolfgang; Dube, Henry","Ingredients to TICT Formation in Donor Substituted Hemithioindigo.","The journal of physical chemistry letters","2017","8","7","1585","1592","10.1021/acs.jpclett.7b00371","","","0.71073","MoKα","","0.0584","0.0381","","","0.0885","0.0975","","","","","","1.042","","","","has coordinates","196162","2020-10-21","18:00:00",""
"8000240","6.2782","0.0002","11.0313","0.0003","20.7739","0.0007","90","","90","","90","","1438.73","0.08","100","2","100","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","204","","","- C18 H16 O2 S -","- C18 H16 O2 S -","- C72 H64 O8 S4 -","4","1","","Wiedbrauk, Sandra; Maerz, Benjamin; Samoylova, Elena; Mayer, Peter; Zinth, Wolfgang; Dube, Henry","Ingredients to TICT Formation in Donor Substituted Hemithioindigo.","The journal of physical chemistry letters","2017","8","7","1585","1592","10.1021/acs.jpclett.7b00371","","","0.71073","MoKα","","0.0423","0.037","","","0.0877","0.0906","","","","","","1.073","","","","has coordinates","196162","2020-10-21","18:00:00",""
"8000241","18.464","0.003","22.363","0.003","22.409","0.003","91.741","0.002","104.271","0.003","106.193","0.002","8563","2","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","","","- C32 H72 Br6 Ir N2 -","- C32 H72 Br6 Ir N2 -","- C256 H576 Br48 Ir8 N16 -","8","4","","Carbery, William P.; Verma, Archana; Turner, Daniel B.","Spin-Orbit Coupling Drives Femtosecond Nonadiabatic Dynamics in a Transition Metal Compound.","The journal of physical chemistry letters","2017","8","6","1315","1322","10.1021/acs.jpclett.7b00130","","","0.71073","MoKα","","0.1253","0.0536","","","0.123","0.1606","","","","","","1.001","","","","has coordinates","194761","2020-10-21","18:00:00",""
"8000242","4.647","0.0007","18.557","0.003","11.518","0.0017","90","","91.618","0.002","90","","992.9","0.3","293","2","293","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C9 H8 N6 O -","- C9 H8 N6 O -","- C36 H32 N24 O4 -","4","1","","Lucenti, Elena; Forni, Alessandra; Botta, Chiara; Carlucci, Lucia; Giannini, Clelia; Marinotto, Daniele; Previtali, Andrea; Righetto, Stefania; Cariati, Elena","H-aggregates Granting Crystallization Induced Emissive Behavior and Ultralong Phosphorescence from a Pure Organic Molecule.","The journal of physical chemistry letters","2017","","","1894","","10.1021/acs.jpclett.7b00503","","","0.71073","MoKα","","0.1643","0.0563","","","0.1231","0.1589","","","","","","0.989","","","","has coordinates","195426","2020-10-21","18:00:00",""
"8000243","15.6182","0.0004","15.6182","0.0004","22.4337","0.0007","90","","90","","120","","4739.1","0.2","328","2","328","2","","","","","","","","5","R -3 c :H","-R 3 2""c","167","","","","- C15 H36 Cl9 N3 Sb2 -","- C15 H36 Cl9 N3 Sb2 -","- C90 H216 Cl54 N18 Sb12 -","6","0.166667","","Ji, Chengmin; Sun, Zhihua; Zeb, Aurang; Liu, Sijie; Zhang, Jing; Hong, Maochun; Luo, Junhua","Bandgap Narrowing of Lead-Free Perovskite-Type Hybrids for Visible-Light-Absorbing Ferroelectric Semiconductors.","The journal of physical chemistry letters","2017","8","9","2012","2018","10.1021/acs.jpclett.7b00673","","","1.54184","CuKα","","0.0438","0.0376","","","0.117","0.1284","","","","","","1.065","","","","has coordinates,has disorder","211175","2020-10-21","18:00:00",""
"8000244","15.8386","0.0004","15.8386","0.0004","22.839","0.0007","90","","90","","120","","4961.8","0.2","338","2","338","2","","","","","","","","6","R -3 c :H","-R 3 2""c","167","","","","- C15 H36 Br3 Cl6 N3 Sb2 -","- C15 H36 Br3 Cl6 N3 Sb2 -","- C90 H216 Br18 Cl36 N18 Sb12 -","6","0.166667","","Ji, Chengmin; Sun, Zhihua; Zeb, Aurang; Liu, Sijie; Zhang, Jing; Hong, Maochun; Luo, Junhua","Bandgap Narrowing of Lead-Free Perovskite-Type Hybrids for Visible-Light-Absorbing Ferroelectric Semiconductors.","The journal of physical chemistry letters","2017","8","9","2012","2018","10.1021/acs.jpclett.7b00673","","","1.54184","CuKα","","0.1497","0.1345","","","0.3039","0.3124","","","","","","1.67","","","","has coordinates,has disorder","211175","2020-10-21","18:00:00",""
"8000245","15.9951","0.0004","15.9951","0.0004","23.1124","0.0007","90","","90","","120","","5120.9","0.2","335","2","335","2","","","","","","","","5","R -3 c :H","-R 3 2""c","167","","","","- C15 H36 Br9 N3 Sb2 -","- C15 H36 Br9 N3 Sb2 -","- C90 H216 Br54 N18 Sb12 -","6","0.166667","","Ji, Chengmin; Sun, Zhihua; Zeb, Aurang; Liu, Sijie; Zhang, Jing; Hong, Maochun; Luo, Junhua","Bandgap Narrowing of Lead-Free Perovskite-Type Hybrids for Visible-Light-Absorbing Ferroelectric Semiconductors.","The journal of physical chemistry letters","2017","8","9","2012","2018","10.1021/acs.jpclett.7b00673","","","1.54184","CuKα","","0.0604","0.0504","","","0.1491","0.1621","","","","","","1.097","","","","has coordinates,has disorder","211175","2020-10-21","18:00:00",""
"8000246","15.2807","0.0007","15.2807","0.0007","23.3345","0.0011","90","","90","","120","","4718.6","0.4","100","2","100","2","","","","","","","","6","R 3 c :H","R 3 -2""c","161","","","","- C15 H36 Br3 Cl6 N3 Sb2 -","- C15 H36 Br3 Cl6 N3 Sb2 -","- C90 H216 Br18 Cl36 N18 Sb12 -","6","0.333333","","Ji, Chengmin; Sun, Zhihua; Zeb, Aurang; Liu, Sijie; Zhang, Jing; Hong, Maochun; Luo, Junhua","Bandgap Narrowing of Lead-Free Perovskite-Type Hybrids for Visible-Light-Absorbing Ferroelectric Semiconductors.","The journal of physical chemistry letters","2017","8","9","2012","2018","10.1021/acs.jpclett.7b00673","","","0.71073","MoKα","","0.0714","0.0693","","","0.1943","0.1976","","","","","","1.251","","","","has coordinates","211175","2020-10-21","18:00:00",""
"8000247","15.6943","0.0002","15.6943","0.0002","23.5279","0.0004","90","","90","","120","","5018.77","0.12","293","2","293","2","","","","","","","","5","R 3 c :H","R 3 -2""c","161","","","","- C15 H36 Br9 N3 Sb2 -","- C15 H36 Br9 N3 Sb2 -","- C90 H216 Br54 N18 Sb12 -","6","0.333333","","Ji, Chengmin; Sun, Zhihua; Zeb, Aurang; Liu, Sijie; Zhang, Jing; Hong, Maochun; Luo, Junhua","Bandgap Narrowing of Lead-Free Perovskite-Type Hybrids for Visible-Light-Absorbing Ferroelectric Semiconductors.","The journal of physical chemistry letters","2017","8","9","2012","2018","10.1021/acs.jpclett.7b00673","","","1.54184","CuKα","","0.0807","0.0798","","","0.1871","0.1897","","","","","","1.079","","","","has coordinates","211175","2020-10-21","18:00:00",""
"8000248","8.3018","0.0017","9.4214","0.0019","16.293","0.003","83.45","0.03","77.59","0.03","85.73","0.03","1234.8","0.5","296","2","296","2","","","","","","","","5","P -1","-P 1","2","","","","- C28 H26 N2 O6 S -","- C28 H26 N2 O6 S -","- C56 H52 N4 O12 S2 -","2","1","","Ma, Suqian; Zhang, Jibo; Liu, Yingjie; Qian, Jingyu; Xu, Bin; Tian, Wenjing","Direct Observation of the Symmetrical and Asymmetrical Protonation States in Molecular Crystals.","The journal of physical chemistry letters","2017","8","13","3068","3072","10.1021/acs.jpclett.7b01454","","","0.71073","MoKα","","0.1368","0.0663","","","0.1365","0.1699","","","","","","1.013","","","","has coordinates","211175","2020-10-21","18:00:00",""
"8000249","8.1571","0.0016","9.862","0.002","15.677","0.003","87.7","0.03","88.68","0.03","66.35","0.03","1154.3","0.5","291","2","291","2","","","","","","","","5","P -1","-P 1","2","","","","- C28 H25 Cl N2 O2 -","- C28 H25 Cl N2 O2 -","- C56 H50 Cl2 N4 O4 -","2","1","","Ma, Suqian; Zhang, Jibo; Liu, Yingjie; Qian, Jingyu; Xu, Bin; Tian, Wenjing","Direct Observation of the Symmetrical and Asymmetrical Protonation States in Molecular Crystals.","The journal of physical chemistry letters","2017","8","13","3068","3072","10.1021/acs.jpclett.7b01454","","","0.71073","MoKα","","0.1004","0.0641","","","0.2256","0.2477","","","","","","1.124","","","","has coordinates","211175","2020-10-21","18:00:00",""
"8000250","7.5957","0.0015","5.7108","0.0011","22.899","0.005","90","","95.95","0.03","90","","988","0.4","293","2","293","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C28 H20 N2 -","- C28 H20 N2 -","- C56 H40 N4 -","2","0.5","","Ma, Suqian; Zhang, Jibo; Liu, Yingjie; Qian, Jingyu; Xu, Bin; Tian, Wenjing","Direct Observation of the Symmetrical and Asymmetrical Protonation States in Molecular Crystals.","The journal of physical chemistry letters","2017","8","13","3068","3072","10.1021/acs.jpclett.7b01454","","","0.71073","MoKα","","0.0596","0.0428","","","0.1269","0.138","","","","","","1.081","","","","has coordinates","211175","2020-10-21","18:00:00",""
"8000251","31.056","0.006","7.663","0.002","5.996","0.001","90","","94.18","0.03","90","","1423.1","0.5","298","2","298","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C60 H80 O4 S4 -","- C60 H80 O4 S4 -","- C60 H80 O4 S4 -","1","0.25","","Bedoya-Martinez, Natalia; Schrode, Benedikt; Jones, Andrew O.F.; Salzillo, Tommaso; Ruzie, Christian; Demitri, Nicola; Geerts, Yves H.; Venuti, Elisabetta; Della Valle, Raffaele Guido; Zojer, Egbert; Resel, Roland","DFT-assisted polymorph identification from lattice Raman fingerprinting","The Journal of Physical Chemistry Letters","2017","8","","3690","3395","10.1021/acs.jpclett.7b01634","","","0.7","Synchrotron","","0.1465","0.0951","","","0.2388","0.2835","","","","","","1.014","","","","has coordinates","201247","2020-10-21","18:00:00",""
"8000252","21.2829","0.0007","21.539","0.0007","28.6908","0.001","99.7673","0.0017","111.114","0.0014","105.563","0.0015","11288.6","0.7","120","","119.99","","","","","","","","","4","P -1","-P 1","2","","","","- C150 H275 Au43 S25 -","- C150 H259 Au43 S25 -","- C300 H518 Au86 S50 -","2","1","","Dong, Hongwei; Liao, Lingwen; Wu, Zhikun","Two-Way Transformation between fcc- and Nonfcc-Structured Gold Nanoclusters.","The journal of physical chemistry letters","2017","8","21","5338","5343","10.1021/acs.jpclett.7b02459","","","1.54178","CuKα","","0.3605","0.1402","","","0.3168","0.3924","","","","","","1.007","","","","has coordinates","211175","2020-10-21","18:00:00",""
"8000253","7.1913","0.0003","7.3327","0.0003","11.7139","0.0004","87.608","0.001","85.333","0.001","68.993","0.001","574.67","0.04","296","2","296","2","","","","","","","","5","P -1","-P 1","2","","","","- C24 H22 Cl2 N2 O6 -","- C24 H22 Cl2 N2 O6 -","- C24 H22 Cl2 N2 O6 -","1","0.5","","Sui, Qi; Yang, Ning-Ning; Gong, Teng; Li, Peng; Yuan, Ye; Gao, En-Qing; Wang, Lin","Impact of Lattice Water on Solid-State Electron Transfer in Viologen Pseudopolymorphs: Modulation of Photo- and Piezochromism.","The journal of physical chemistry letters","2017","8","21","5450","5455","10.1021/acs.jpclett.7b02452","","","0.71073","MoKα","","0.0475","0.0398","","","0.1165","0.1233","","","","","","1.038","","","","has coordinates","211175","2020-10-21","18:00:00",""
"8000254","7.6272","0.0003","26.0909","0.001","6.9724","0.0003","90","","113.451","0.001","90","","1272.9","0.09","296","2","296","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C24 H26 Cl2 N2 O8 -","- C24 H26 Cl2 N2 O8 -","- C48 H52 Cl4 N4 O16 -","2","0.5","","Sui, Qi; Yang, Ning-Ning; Gong, Teng; Li, Peng; Yuan, Ye; Gao, En-Qing; Wang, Lin","Impact of Lattice Water on Solid-State Electron Transfer in Viologen Pseudopolymorphs: Modulation of Photo- and Piezochromism.","The journal of physical chemistry letters","2017","8","21","5450","5455","10.1021/acs.jpclett.7b02452","","","0.71073","MoKα","","0.0677","0.0411","","","0.1026","0.1174","","","","","","1.029","","","","has coordinates","211175","2020-10-21","18:00:00",""
"8000255","14.1818","0.0003","9.4204","0.0002","15.9624","0.0004","90","","98.268","0.001","90","","2110.38","0.08","173","2","173","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C24 H18 Cl2 N2 O4 -","- C24 H18 Cl2 N2 O4 -","- C96 H72 Cl8 N8 O16 -","4","1","","Sui, Qi; Yang, Ning-Ning; Gong, Teng; Li, Peng; Yuan, Ye; Gao, En-Qing; Wang, Lin","Impact of Lattice Water on Solid-State Electron Transfer in Viologen Pseudopolymorphs: Modulation of Photo- and Piezochromism.","The journal of physical chemistry letters","2017","8","21","5450","5455","10.1021/acs.jpclett.7b02452","","","1.54178","CuKα","","0.0599","0.0381","","","0.1085","0.1257","","","","","","0.86","","","","has coordinates","211175","2020-10-21","18:00:00",""
"8000256","14.1952","0.0003","9.4314","0.0002","15.9716","0.0004","90","","98.211","0.001","90","","2116.37","0.08","173","2","173","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C24 H18 Cl2 N2 O4 -","- C24 H18 Cl2 N2 O4 -","- C96 H72 Cl8 N8 O16 -","4","1","","Sui, Qi; Yang, Ning-Ning; Gong, Teng; Li, Peng; Yuan, Ye; Gao, En-Qing; Wang, Lin","Impact of Lattice Water on Solid-State Electron Transfer in Viologen Pseudopolymorphs: Modulation of Photo- and Piezochromism.","The journal of physical chemistry letters","2017","8","21","5450","5455","10.1021/acs.jpclett.7b02452","","","1.54178","CuKα","","0.0435","0.036","","","0.1056","0.118","","","","","","0.676","","","","has coordinates","211175","2020-10-21","18:00:00",""
"8000257","19.3111","0.0007","7.5939","0.0003","13.4476","0.0005","90","","98.064","0.001","90","","1952.54","0.13","296","2","296","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C24 H20 N2 O6 -","- C24 H20 N2 O6 -","- C96 H80 N8 O24 -","4","0.5","","Sui, Qi; Yang, Ning-Ning; Gong, Teng; Li, Peng; Yuan, Ye; Gao, En-Qing; Wang, Lin","Impact of Lattice Water on Solid-State Electron Transfer in Viologen Pseudopolymorphs: Modulation of Photo- and Piezochromism.","The journal of physical chemistry letters","2017","8","21","5450","5455","10.1021/acs.jpclett.7b02452","","","0.71073","MoKα","","0.0716","0.0474","","","0.1299","0.1552","","","","","","1.045","","","","has coordinates","211175","2020-10-21","18:00:00",""
"8000356","6.1071","0.0002","7.0985","0.0002","10.6748","0.0002","90","","95.017","0.002","90","","460.99","0.02","296","2","296","2","","","","","","","","5","P 1 m 1","P -2y","6","AMU1","Co(1,4-benzenedicarboxylate)(1,4-diazabicyclo[2.2.2]octane)H2O","","- C14 H18 Co N2 O5 -","- C14 H19 Co N2 O5 -","- C14 H19 Co N2 O5 -","1","0.5","","Andrzejewski, Michał; Katrusiak, Andrzej","Piezochromic Porous Metal-Organic Framework.","The journal of physical chemistry letters","2017","8","1","279","284","10.1021/acs.jpclett.6b02458","","","0.71073","MoKα","","0.0527","0.0501","","","0.1293","0.1316","","","","","","1.055","","","","has coordinates","236652","2020-10-21","18:00:00",""
"8000357","6.1054","0.0005","7.0878","0.0008","10.6638","0.0006","90","","95.094","0.007","90","","459.64","0.07","296","2","296","2","","","","","","","","5","P 1 m 1","P -2y","6","AMU1","Co(1,4-benzenedicarboxylate)(1,4-diazabicyclo[2.2.2]octane)H2O","","- C14 H18 Co N2 O5 -","- C14 H18 Co N2 O5 -","- C14 H18 Co N2 O5 -","1","0.5","","Andrzejewski, Michał; Katrusiak, Andrzej","Piezochromic Porous Metal-Organic Framework.","The journal of physical chemistry letters","2017","8","1","279","284","10.1021/acs.jpclett.6b02458","","","0.71073","MoKα","","0.0786","0.068","","","0.1663","0.1719","","","","","","1.116","","","","has coordinates","236652","2020-10-21","18:00:00",""
"8000358","6.1006","0.0002","7.0942","0.0002","10.6767","0.0002","90","","95.052","0.002","90","","460.28","0.02","273","","273","","","","","","","","","5","P 1 m 1","P -2y","6","AMU1","Co(1,4-benzenedicarboxylate)(1,4-diazabicyclo[2.2.2]octane)H2O","","- C14 H18 Co N2 O5 -","- C14 H18 Co N2 O5 -","- C14 H18 Co N2 O5 -","1","0.5","","Andrzejewski, Michał; Katrusiak, Andrzej","Piezochromic Porous Metal-Organic Framework.","The journal of physical chemistry letters","2017","8","1","279","284","10.1021/acs.jpclett.6b02458","","","0.71073","MoKα","","0.0536","0.0498","","","0.1254","0.1286","","","","","","1.064","","","","has coordinates","236652","2020-10-21","18:00:00",""
"8000359","6.0947","0.0002","7.0901","0.0002","10.6768","0.0002","90","","95.09","0.002","90","","459.55","0.02","250","2","250","2","","","","","","","","5","P 1 m 1","P -2y","6","AMU1","Co(1,4-benzenedicarboxylate)(1,4-diazabicyclo[2.2.2]octane)H2O","","- C14 H18 Co N2 O5 -","- C14 H18 Co N2 O5 -","- C14 H18 Co N2 O5 -","1","0.5","","Andrzejewski, Michał; Katrusiak, Andrzej","Piezochromic Porous Metal-Organic Framework.","The journal of physical chemistry letters","2017","8","1","279","284","10.1021/acs.jpclett.6b02458","","","0.71073","MoKα","","0.0539","0.0511","","","0.1306","0.1326","","","","","","1.093","","","","has coordinates","236652","2020-10-21","18:00:00",""
"8000360","6.0947","0.0001","7.0944","0.0001","10.6845","0.0002","90","","95.116","0.002","90","","460.139","0.013","230","2","230","2","","","","","","","","5","P 1 m 1","P -2y","6","AMU1","Co(1,4-benzenedicarboxylate)(1,4-diazabicyclo[2.2.2]octane)H2O","","- C14 H18 Co N2 O5 -","- C14 H18 Co N2 O5 -","- C14 H18 Co N2 O5 -","1","0.5","","Andrzejewski, Michał; Katrusiak, Andrzej","Piezochromic Porous Metal-Organic Framework.","The journal of physical chemistry letters","2017","8","1","279","284","10.1021/acs.jpclett.6b02458","","","1.5405","","","0.1043","0.1013","","","0.2647","0.2689","","","","","","1.068","","","","has coordinates","236652","2020-10-21","18:00:00",""
"8000361","6.0709","0.0005","7.0907","0.0005","10.6664","0.0007","89.559","0.005","95.237","0.006","92.593","0.006","456.77","0.06","220","2","220","2","","","","","","","","5","P 1","P 1","1","AMU1","Co(1,4-benzenedicarboxylate)(1,4-diazabicyclo[2.2.2]octane)H2O","","- C14 H18 Co N2 O5 -","- C14 H18 Co N2 O5 -","- C14 H18 Co N2 O5 -","1","1","","Andrzejewski, Michał; Katrusiak, Andrzej","Piezochromic Porous Metal-Organic Framework.","The journal of physical chemistry letters","2017","8","1","279","284","10.1021/acs.jpclett.6b02458","","","0.71073","MoKα","","0.0874","0.0671","","","0.1544","0.1623","","","","","","0.979","","","","has coordinates","236652","2020-10-21","18:00:00",""
"8000362","6.0538","0.0005","7.0936","0.0005","10.6609","0.0007","89.535","0.005","95.383","0.006","93.181","0.006","455.09","0.06","210","2","210","2","","","","","","","","5","P 1","P 1","1","AMU1","Co(1,4-benzenedicarboxylate)(1,4-diazabicyclo[2.2.2]octane)H2O","","- C14 H18 Co N2 O5 -","- C14 H18 Co N2 O5 -","- C14 H18 Co N2 O5 -","1","1","","Andrzejewski, Michał; Katrusiak, Andrzej","Piezochromic Porous Metal-Organic Framework.","The journal of physical chemistry letters","2017","8","1","279","284","10.1021/acs.jpclett.6b02458","","","0.71073","MoKα","","0.0825","0.0625","","","0.1445","0.1529","","","","","","0.982","","","","has coordinates","236652","2020-10-21","18:00:00",""
"8000363","6.047","0.0005","7.0945","0.0005","10.6587","0.0007","89.505","0.005","95.443","0.006","93.326","0.006","454.43","0.06","205","2","205","2","","","","","","","","5","P 1","P 1","1","AMU1","Co(1,4-benzenedicarboxylate)(1,4-diazabicyclo[2.2.2]octane)H2O","","- C14 H18 Co N2 O5 -","- C14 H18 Co N2 O5 -","- C14 H18 Co N2 O5 -","1","1","","Andrzejewski, Michał; Katrusiak, Andrzej","Piezochromic Porous Metal-Organic Framework.","The journal of physical chemistry letters","2017","8","1","279","284","10.1021/acs.jpclett.6b02458","","","0.71073","MoKα","","0.0848","0.0655","","","0.1519","0.1603","","","","","","0.983","","","","has coordinates","236652","2020-10-21","18:00:00",""
"8000364","6.0405","0.0005","7.0949","0.0005","10.6576","0.0008","89.484","0.006","95.509","0.006","93.428","0.006","453.82","0.06","200","2","200","2","","","","","","","","5","P 1","P 1","1","AMU1","Co(1,4-benzenedicarboxylate)(1,4-diazabicyclo[2.2.2]octane)H2O","","- C14 H18 Co N2 O5 -","- C14 H18 Co N2 O5 -","- C14 H18 Co N2 O5 -","1","1","","Andrzejewski, Michał; Katrusiak, Andrzej","Piezochromic Porous Metal-Organic Framework.","The journal of physical chemistry letters","2017","8","1","279","284","10.1021/acs.jpclett.6b02458","","","0.71073","MoKα","","0.0799","0.0612","","","0.1417","0.148","","","","","","0.998","","","","has coordinates","236652","2020-10-21","18:00:00",""
"8000365","6.0307","0.0006","7.097","0.0006","10.6526","0.0009","89.391","0.007","95.588","0.008","93.571","0.007","452.88","0.07","190","2","190","2","","","","","","","","5","P 1","P 1","1","AMU1","Co(1,4-benzenedicarboxylate)(1,4-diazabicyclo[2.2.2]octane)H2O","","- C14 H18 Co N2 O5 -","- C14 H18 Co N2 O5 -","- C14 H18 Co N2 O5 -","1","1","","Andrzejewski, Michał; Katrusiak, Andrzej","Piezochromic Porous Metal-Organic Framework.","The journal of physical chemistry letters","2017","8","1","279","284","10.1021/acs.jpclett.6b02458","","","0.71073","MoKα","","0.0989","0.07","","","0.1591","0.1713","","","","","","0.967","","","","has coordinates","236652","2020-10-21","18:00:00",""
"8000366","6.0076","0.0005","7.0951","0.0005","10.6488","0.0007","89.126","0.005","95.853","0.006","93.642","0.006","450.6","0.06","160","2","160","2","","","","","","","","5","P 1","P 1","1","AMU1","Co(1,4-benzenedicarboxylate)(1,4-diazabicyclo[2.2.2]octane)H2O","","- C14 H18 Co N2 O5 -","- C14 H18 Co N2 O5 -","- C14 H18 Co N2 O5 -","1","1","","Andrzejewski, Michał; Katrusiak, Andrzej","Piezochromic Porous Metal-Organic Framework.","The journal of physical chemistry letters","2017","8","1","279","284","10.1021/acs.jpclett.6b02458","","","0.71073","MoKα","","0.075","0.0582","","","0.1288","0.1341","","","","","","0.97","","","","has coordinates","236652","2020-10-21","18:00:00",""
"8000367","5.9924","0.0005","7.0915","0.0005","10.6453","0.0007","88.987","0.005","96.008","0.006","93.603","0.006","448.97","0.06","130","2","130","2","","","","","","","","5","P 1","P 1","1","AMU1","Co(1,4-benzenedicarboxylate)(1,4-diazabicyclo[2.2.2]octane)H2O","","- C14 H18 Co N2 O5 -","- C14 H18 Co N2 O5 -","- C14 H18 Co N2 O5 -","1","1","","Andrzejewski, Michał; Katrusiak, Andrzej","Piezochromic Porous Metal-Organic Framework.","The journal of physical chemistry letters","2017","8","1","279","284","10.1021/acs.jpclett.6b02458","","","0.71073","MoKα","","0.0747","0.0578","","","0.1295","0.135","","","","","","0.991","","","","has coordinates","236652","2020-10-21","18:00:00",""
"8000368","5.9793","0.0005","7.0877","0.0005","10.6426","0.0007","88.93","0.005","96.108","0.006","93.52","0.006","447.59","0.06","100","2","100","2","","","","","","","","5","P 1","P 1","1","AMU1","Co(1,4-benzenedicarboxylate)(1,4-diazabicyclo[2.2.2]octane)H2O","","- C14 H18 Co N2 O5 -","- C14 H18 Co N2 O5 -","- C14 H18 Co N2 O5 -","1","1","","Andrzejewski, Michał; Katrusiak, Andrzej","Piezochromic Porous Metal-Organic Framework.","The journal of physical chemistry letters","2017","8","1","279","284","10.1021/acs.jpclett.6b02458","","","0.71073","MoKα","","0.0743","0.0578","","","0.1295","0.1348","","","","","","0.984","","","","has coordinates","236652","2020-10-21","18:00:00",""
"8000369","6.0764","0.0007","7.0959","0.0005","10.704","0.004","90","","95.196","0.017","90","","459.63","0.18","296","2","296","2","","","","","","","","5","P 1 m 1","P -2y","6","AMU1","Co(1,4-benzenedicarboxylate)(1,4-diazabicyclo[2.2.2]octane)H2O","","- C14 H17 Co N2 O5 -","- C14 H16 Co N2 O5 -","- C14 H16 Co N2 O5 -","1","0.5","","Andrzejewski, Michał; Katrusiak, Andrzej","Piezochromic Porous Metal-Organic Framework.","The journal of physical chemistry letters","2017","8","1","279","284","10.1021/acs.jpclett.6b02458","","","0.71073","MoKα","","0.2213","0.1941","","","0.4343","0.4739","","","","","","2.288","","","","has coordinates","236652","2020-10-21","18:00:00",""
"8000370","6.0655","0.0006","7.074","0.0006","10.725","0.011","90","","95.28","0.03","90","","458.2","0.5","296","2","296","2","","","","","","","","5","P 1 m 1","P -2y","6","AMU1","Co(1,4-benzenedicarboxylate)(1,4-diazabicyclo[2.2.2]octane)H2O","","- C14 H18 Co N2 O5 -","- C14 H20 Co N2 O5 -","- C14 H20 Co N2 O5 -","1","0.5","","Andrzejewski, Michał; Katrusiak, Andrzej","Piezochromic Porous Metal-Organic Framework.","The journal of physical chemistry letters","2017","8","1","279","284","10.1021/acs.jpclett.6b02458","","","0.71073","MoKα","","0.1978","0.171","","","0.3964","0.4412","","","","","","1.793","","","","has coordinates","236652","2020-10-21","18:00:00",""
"8000371","6.0509","0.0006","7.0817","0.0007","10.657","0.01","90","","95.19","0.03","90","","454.8","0.4","296","2","296","2","","","","","","","","5","P 1 m 1","P -2y","6","AMU1","Co(1,4-benzenedicarboxylate)(1,4-diazabicyclo[2.2.2]octane)H2O","","- C14 H16 Co N2 O5 -","- C14 H18 Co N2 O5 -","- C14 H18 Co N2 O5 -","1","0.5","","Andrzejewski, Michał; Katrusiak, Andrzej","Piezochromic Porous Metal-Organic Framework.","The journal of physical chemistry letters","2017","8","1","279","284","10.1021/acs.jpclett.6b02458","","","0.71073","MoKα","","0.1567","0.1323","","","0.3184","0.3363","","","","","","1.396","","","","has coordinates","236652","2020-10-21","18:00:00",""
"8000372","6.006","0.002","7.0672","0.0008","10.657","0.006","89.92","0.02","95.2","0.06","92.71","0.02","450","0.3","296","2","293","2","","","","","","","","5","P 1","P 1","1","AMU1","Co(1,4-benzenedicarboxylate)(1,4-diazabicyclo[2.2.2]octane)H2O","","- C14 H18 Co N2 O5 -","- C14 H18 Co N2 O5 -","- C14 H18 Co N2 O5 -","1","1","","Andrzejewski, Michał; Katrusiak, Andrzej","Piezochromic Porous Metal-Organic Framework.","The journal of physical chemistry letters","2017","8","1","279","284","10.1021/acs.jpclett.6b02458","","","0.71073","MoKα","","0.2342","0.1823","","","0.3995","0.4299","","","","","","1.543","","","","has coordinates","236652","2020-10-21","18:00:00",""
"8000373","5.9847","0.0014","7.0514","0.0017","10.628","0.005","90.03","0.04","95.46","0.03","93.21","0.02","445.8","0.3","296","2","296","2","","","","","","","","5","P 1","P 1","1","AMU1","Co(1,4-benzenedicarboxylate)(1,4-diazabicyclo[2.2.2]octane)H2O","","- C14 H18 Co N2 O5 -","- C14 H18 Co N2 O5 -","- C14 H18 Co N2 O5 -","1","1","","Andrzejewski, Michał; Katrusiak, Andrzej","Piezochromic Porous Metal-Organic Framework.","The journal of physical chemistry letters","2017","8","1","279","284","10.1021/acs.jpclett.6b02458","","","0.71073","MoKα","","0.1964","0.1497","","","0.3563","0.3821","","","","","","1.307","","","","has coordinates","236652","2020-10-21","18:00:00",""
"8000374","5.9454","0.0012","7.058","0.002","10.616","0.005","90.27","0.04","95.74","0.06","94.245","0.016","442","0.3","296","2","296","2","","","","","","","","5","P 1","P 1","1","AMU1","Co(1,4-benzenedicarboxylate)(1,4-diazabicyclo[2.2.2]octane)H2O","","- C14 H18 Co N2 O5 -","- C14 H18 Co N2 O5 -","- C14 H18 Co N2 O5 -","1","1","","Andrzejewski, Michał; Katrusiak, Andrzej","Piezochromic Porous Metal-Organic Framework.","The journal of physical chemistry letters","2017","8","1","279","284","10.1021/acs.jpclett.6b02458","","","0.71073","MoKα","","0.1399","0.1241","","","0.2996","0.3149","","","","","","1.349","","","","has coordinates","236652","2020-10-21","18:00:00",""
"8000375","5.958","0.006","7.069","0.003","10.669","0.006","90","0.09","95.21","0.17","92.76","0.06","447","0.6","296","2","296","2","","","","","","","","5","P 1","P 1","1","AMU1","Co(1,4-benzenedicarboxylate)(1,4-diazabicyclo[2.2.2]octane)H2O","","- C14 H18 Co N2 O5 -","- C14 H18 Co N2 O5 -","- C14 H18 Co N2 O5 -","1","1","","Andrzejewski, Michał; Katrusiak, Andrzej","Piezochromic Porous Metal-Organic Framework.","The journal of physical chemistry letters","2017","8","1","279","284","10.1021/acs.jpclett.6b02458","","","0.71073","MoKα","","0.3178","0.2571","","","0.5378","0.5806","","","","","","2.044","","","","has coordinates","236652","2020-10-21","18:00:00",""
"8000376","5.9012","0.0003","7.0666","0.0003","10.625","0.003","90.369","0.011","96.279","0.012","94.712","0.004","438.88","0.13","296","2","296","2","","","","","","","","5","P 1","P 1","1","AMU1","Co(1,4-benzenedicarboxylate)(1,4-diazabicyclo[2.2.2]octane)H2O","","- C14 H18 Co N2 O5 -","- C14 H18 Co N2 O5 -","- C14 H18 Co N2 O5 -","1","1","","Andrzejewski, Michał; Katrusiak, Andrzej","Piezochromic Porous Metal-Organic Framework.","The journal of physical chemistry letters","2017","8","1","279","284","10.1021/acs.jpclett.6b02458","","","0.71073","MoKα","","0.2813","0.2116","","","0.4565","0.5278","","","","","","2.143","","","","has coordinates","236652","2020-10-21","18:00:00",""
"8000377","5.8752","0.0014","7.0561","0.0016","10.609","0.003","90.36","0.03","96.55","0.03","94.743","0.019","435.38","0.19","296","2","296","2","","","","","","","","5","P 1","P 1","1","AMU1","Co(1,4-benzenedicarboxylate)(1,4-diazabicyclo[2.2.2]octane)H2O","","- C14 H18 Co N2 O5 -","- C14 H18 Co N2 O5 -","- C14 H18 Co N2 O5 -","1","1","","Andrzejewski, Michał; Katrusiak, Andrzej","Piezochromic Porous Metal-Organic Framework.","The journal of physical chemistry letters","2017","8","1","279","284","10.1021/acs.jpclett.6b02458","","","0.71073","MoKα","","0.2381","0.185","","","0.3976","0.43","","","","","","1.442","","","","has coordinates","236652","2020-10-21","18:00:00",""
"8000378","5.8426","0.0011","7.0452","0.0014","10.585","0.003","90.43","0.02","96.62","0.02","94.933","0.016","431.13","0.17","296","2","296","2","","","","","","","","5","P 1","P 1","1","AMU1","Co(1,4-benzenedicarboxylate)(1,4-diazabicyclo[2.2.2]octane)H2O","","- C14 H18 Co N2 O5 -","- C14 H16 Co N2 O5 -","- C14 H16 Co N2 O5 -","1","1","","Andrzejewski, Michał; Katrusiak, Andrzej","Piezochromic Porous Metal-Organic Framework.","The journal of physical chemistry letters","2017","8","1","279","284","10.1021/acs.jpclett.6b02458","","","0.71073","MoKα","","0.2539","0.1898","","","0.4138","0.5033","","","","","","1.995","","","","has coordinates","236652","2020-10-21","18:00:00",""
"8000379","5.8059","0.0011","7.0187","0.0007","10.556","0.003","90.42","0.02","96.96","0.03","95.048","0.012","425.26","0.15","296","2","296","2","","","","","","","","5","P 1","P 1","1","AMU1","Co(1,4-benzenedicarboxylate)(1,4-diazabicyclo[2.2.2]octane)H2O","","- C14 H18 Co N2 O5 -","- C14 H18 Co N2 O5 -","- C14 H18 Co N2 O5 -","1","1","","Andrzejewski, Michał; Katrusiak, Andrzej","Piezochromic Porous Metal-Organic Framework.","The journal of physical chemistry letters","2017","8","1","279","284","10.1021/acs.jpclett.6b02458","","","0.71073","MoKα","","0.2303","0.1713","","","0.3955","0.4355","","","","","","1.521","","","","has coordinates","236652","2020-10-21","18:00:00",""
"8000380","5.7562","0.001","6.9942","0.0013","10.529","0.004","90.32","0.03","97.38","0.03","95.055","0.015","418.69","0.19","296","2","296","2","","","","","","","","5","P 1","P 1","1","AMU1","Co(1,4-benzenedicarboxylate)(1,4-diazabicyclo[2.2.2]octane)H2O","","- C14 H18 Co N2 O5 -","- C14 H18 Co N2 O5 -","- C14 H18 Co N2 O5 -","1","1","","Andrzejewski, Michał; Katrusiak, Andrzej","Piezochromic Porous Metal-Organic Framework.","The journal of physical chemistry letters","2017","8","1","279","284","10.1021/acs.jpclett.6b02458","","","0.71073","MoKα","","0.176","0.1385","","","0.3299","0.3563","","","","","","1.309","","","","has coordinates","236652","2020-10-21","18:00:00",""
"8000381","5.73","0.002","6.986","0.003","10.533","0.009","89.56","0.05","97.77","0.05","95.04","0.03","416.1","0.4","296","2","296","2","","","","","","","","5","P 1","P 1","1","AMU1","Co(1,4-benzenedicarboxylate)(1,4-diazabicyclo[2.2.2]octane)H2O","","- C14 H18 Co N2 O5 -","- C14 H18 Co N2 O5 -","- C14 H18 Co N2 O5 -","1","1","","Andrzejewski, Michał; Katrusiak, Andrzej","Piezochromic Porous Metal-Organic Framework.","The journal of physical chemistry letters","2017","8","1","279","284","10.1021/acs.jpclett.6b02458","","","0.71073","MoKα","","0.3017","0.2494","","","0.5072","0.5613","","","","","","1.825","","","","has coordinates","236652","2020-10-21","18:00:00",""
"8000382","5.7216","0.0011","6.9763","0.0008","10.501","0.012","89.95","0.03","97.84","0.04","94.966","0.012","413.7","0.5","296","2","296","2","","","","","","","","5","P 1","P 1","1","AMU1","Co(1,4-benzenedicarboxylate)(1,4-diazabicyclo[2.2.2]octane)H2O","","- C14 H18 Co N2 O5 -","- C14 H18 Co N2 O5 -","- C14 H18 Co N2 O5 -","1","1","","Andrzejewski, Michał; Katrusiak, Andrzej","Piezochromic Porous Metal-Organic Framework.","The journal of physical chemistry letters","2017","8","1","279","284","10.1021/acs.jpclett.6b02458","","","0.71073","MoKα","","0.2971","0.2433","","","0.5368","0.5804","","","","","","2.268","","","","has coordinates","236652","2020-10-21","18:00:00",""
"8000383","5.6799","0.0008","6.9641","0.0007","10.479","0.003","88.725","0.013","98.587","0.015","94.902","0.011","408.34","0.14","296","2","296","2","","","","","","","","5","P 1","P 1","1","AMU1","Co(1,4-benzenedicarboxylate)(1,4-diazabicyclo[2.2.2]octane)H2O","","- C14 H18 Co N2 O5 -","- C14 H18 Co N2 O5 -","- C14 H18 Co N2 O5 -","1","1","","Andrzejewski, Michał; Katrusiak, Andrzej","Piezochromic Porous Metal-Organic Framework.","The journal of physical chemistry letters","2017","8","1","279","284","10.1021/acs.jpclett.6b02458","","","0.71073","MoKα","","0.1653","0.1587","","","0.3735","0.3847","","","","","","1.777","","","","has coordinates","236652","2020-10-21","18:00:00",""
"8000384","5.639","0.004","6.945","0.003","10.465","0.006","88.69","0.04","98.8","0.06","94.7","0.05","403.6","0.4","296","2","296","2","","","","","","","","5","P 1","P 1","1","AMU1","Co(1,4-benzenedicarboxylate)(1,4-diazabicyclo[2.2.2]octane)H2O","","- C14 H18 Co N2 O5 -","- C14 H18 Co N2 O5 -","- C14 H18 Co N2 O5 -","1","1","","Andrzejewski, Michał; Katrusiak, Andrzej","Piezochromic Porous Metal-Organic Framework.","The journal of physical chemistry letters","2017","8","1","279","284","10.1021/acs.jpclett.6b02458","","","0.71073","MoKα","","0.2381","0.2052","","","0.4536","0.4837","","","","","","1.871","","","","has coordinates","236652","2020-10-21","18:00:00",""
"8000385","5.6089","0.0011","6.9221","0.0006","10.434","0.003","87.77","0.013","99.6","0.02","94.788","0.011","397.91","0.14","296","2","296","2","","","","","","","","5","P 1","P 1","1","AMU1","Co(1,4-benzenedicarboxylate)(1,4-diazabicyclo[2.2.2]octane)H2O","","- C14 H18 Co N2 O5 -","- C14 H18 Co N2 O5 -","- C14 H18 Co N2 O5 -","1","1","","Andrzejewski, Michał; Katrusiak, Andrzej","Piezochromic Porous Metal-Organic Framework.","The journal of physical chemistry letters","2017","8","1","279","284","10.1021/acs.jpclett.6b02458","","","0.71073","MoKα","","0.1897","0.1866","","","0.4297","0.433","","","","","","2.18","","","","has coordinates","236652","2020-10-21","18:00:00",""
"8000386","5.571","0.003","6.8976","0.0008","10.411","0.004","87.263","0.018","100.31","0.04","94.672","0.019","392.1","0.3","296","2","296","2","","","","","","","","5","P 1","P 1","1","AMU1","Co(1,4-benzenedicarboxylate)(1,4-diazabicyclo[2.2.2]octane)H2O","","- C14 H18 Co N2 O5 -","- C14 H18 Co N2 O5 -","- C14 H18 Co N2 O5 -","1","1","","Andrzejewski, Michał; Katrusiak, Andrzej","Piezochromic Porous Metal-Organic Framework.","The journal of physical chemistry letters","2017","8","1","279","284","10.1021/acs.jpclett.6b02458","","","0.71073","MoKα","","0.1677","0.1595","","","0.3833","0.3966","","","","","","1.948","","","","has coordinates","236652","2020-10-21","18:00:00",""
"8000387","6.115","0.005","7.1238","0.0011","10.661","0.019","90","","94.83","0.15","90","","462.8","0.9","296","2","296","2","","","","","","","","5","P 1 m 1","P -2y","6","AMU1","Co(1,4-benzenedicarboxylate)(1,4-diazabicyclo[2.2.2]octane)H2O","","- C14 H18 Co N2 O5 -","- C14 H18 Co N2 O5 -","- C14 H18 Co N2 O5 -","1","0.5","","Andrzejewski, Michał; Katrusiak, Andrzej","Piezochromic Porous Metal-Organic Framework.","The journal of physical chemistry letters","2017","8","1","279","284","10.1021/acs.jpclett.6b02458","","","0.71073","MoKα","","0.2117","0.1667","","","0.3775","0.4331","","","","","","1.501","","","","has coordinates","236652","2020-10-21","18:00:00",""
"8000388","5.744","0.003","6.981","0.004","10.557","0.016","90.04","0.1","97.92","0.1","94.77","0.04","417.8","0.7","296","2","296","2","","","","","","","","5","P 1","P 1","1","AMU-1","Co(1,4-benzenedicarboxylate)(1,4-diazabicyclo[2.2.2]octane)H2O","","- C14 H16 Co N2 O5 -","- C14 H16 Co N2 O5 -","- C14 H16 Co N2 O5 -","1","1","","Andrzejewski, Michał; Katrusiak, Andrzej","Piezochromic Porous Metal-Organic Framework.","The journal of physical chemistry letters","2017","8","1","279","284","10.1021/acs.jpclett.6b02458","","","0.71073","MoKα","","0.347","0.2711","","","0.5372","0.5818","","","","","","1.795","","","","has coordinates","236652","2020-10-21","18:00:00",""
"8106411","6.9159","0.0004","10.8953","0.0006","11.6439","0.0007","94.137","0.002","101.152","0.002","96.831","0.002","850.61","0.09","293","2","293","2","","","","","","","","4","P -1","-P 1","2","","","","- C16 H13 O11 Pr -","- C16 H13 O11 Pr -","- C32 H26 O22 Pr2 -","2","1","","Li, Rong Fang; Liu, Xin Fang; Feng, Xun","Crystal structure of poly-[triaqua-(μ4-5′-carboxy-[1,1′-biphenyl]-2,3,3′-tricarboxylate-κ6 O 1,O 2:O 3,O 4:O 5:O 6)praseodymium(III), C16H13O11Pr","Zeitschrift für Kristallographie - New Crystal Structures","2017","232","1","3","5","10.1515/ncrs-2016-0071","","","0.71073","MoKα","","0.0442","0.0352","","","0.0704","0.0737","","","","","","1.069","","","","has coordinates,has disorder","279914","2022-12-15","10:28:23",""
"8106412","11.8118","0.0005","4.9299","0.0002","16.5436","0.0007","90","","101.116","0.002","90","","945.28","0.07","170","2","170","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C10 H13 N O3 -","- C10 H13 N O3 -","- C40 H52 N4 O12 -","4","2","","Tan, Jun-Jie; Liu, Xiao-Yu; Zhang, Jie; Chen, Xi; Li, Yi-Ming; Jiao, Bing-Hua","Crystal structure of (R)-1-(2,3-dihydro-1H-pyrrolizin-5-yl)-2,3-dihydroxypropan-1-one, C10H13NO3","Zeitschrift für Kristallographie - New Crystal Structures","2017","232","1","7","8","10.1515/ncrs-2016-0099","","","1.54178","CuKα","","0.0307","0.0302","","","0.0769","0.0774","","","","","","1.056","","","","has coordinates","280141","2023-01-06","07:59:25",""
"8106413","11.8219","0.0012","6.121","0.0004","22.356","0.002","90","","94.403","0.008","90","","1612.9","0.2","293","2","293","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C19 H14 N2 O4 -","- C19 H14 N2 O4 -","- C76 H56 N8 O16 -","4","1","","Köysal, Yavuz; Bülbül, Hakan; Kantar, Esen Nur; Coşkun, Emine; Şahin, Songül; Dege, Necmi","Crystal structure of (E)-4-nitro-2-((2-phenoxyphenylimino)methyl)phenol, C19H14N2O4","Zeitschrift für Kristallographie - New Crystal Structures","2017","232","1","9","10","10.1515/ncrs-2016-0102","","","0.71073","MoKα","","0.1662","0.0545","","","0.0717","0.0938","","","","","","0.857","","","","has coordinates","280142","2023-01-06","08:02:12",""
"8106414","9.2129","0.0018","5.0321","0.001","13.76","0.003","90","","100.02","0.03","90","","628.2","0.2","296","2","296","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C14 H8 N6 O2 -","- C14 H8 N6 O2 -","- C28 H16 N12 O4 -","2","0.5","","Karczmarzyk, Zbigniew; Branowska, Danuta; Wysocki, Waldemar; Bancerz, Ilona; Urbańczyk-Lipkowska, Zofia","Crystal structure of 3,3′-di(furan-2-yl)-5,5′-bi-1,2,4-triazine","Zeitschrift für Kristallographie - New Crystal Structures","2017","232","1","11","12","10.1515/ncrs-2016-0103","","","1.54178","CuKα","","0.0486","0.0416","","","0.1045","0.1115","","","","","","1.044","","","","has coordinates","280143","2023-01-06","08:06:47",""
"8106415","6.2039","0.0003","13.1634","0.0008","22.8258","0.0012","90","","90","","90","","1864.06","0.17","297","2","297","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C22 H20 O5 -","- C22 H20 O5 -","- C88 H80 O20 -","4","1","","Brito, Iván; Simirgiotis, Mario; Muñoz, Rubén; Benites, Julio; Pasten, Leyla; Bórquez, Jorge; Cárdenas, Alejandro","Crystal structure of 11-(p-coumaroyloxy)-tremetone, C22H20O5","Zeitschrift für Kristallographie - New Crystal Structures","2017","232","1","13","14","10.1515/ncrs-2016-0105","","","1.54178","CuKα","","0.1063","0.0532","","","0.0973","0.1169","","","","","","0.998","","","","has coordinates","280144","2023-01-06","08:12:05",""
"8106416","12.3093","0.0014","15.2805","0.0018","20.3205","0.0017","90","","112.213","0.005","90","","3538.5","0.7","296","2","296","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C31 H42 Br2 N4 Pd -","- C31 H42 Br2 N4 Pd -","- C124 H168 Br8 N16 Pd4 -","4","1","","Yin, Shun-Chao; Zhou, Yong-Fang; Li, Ye; Qian, Peng-Cheng","The crystal structure of 1,3-bis(2,6-diiso-propylphenyl)imidazol-2-ylidene)-dibromido-(1-methyl-1H-imidazole-κ1N)palladium(II) – ethyl acetate – water (1/1/1), C31H42Br2N4Pd","Zeitschrift für Kristallographie - New Crystal Structures","2017","232","1","15","18","10.1515/ncrs-2016-0107","","","0.71073","MoKα","","0.0668","0.054","","","0.1446","0.1528","","","","","","1.084","","","","has coordinates","280145","2023-01-06","08:15:05",""
"8106417","13.9896","0.0009","21.9561","0.0014","7.1643","0.0005","90","","91.782","0.006","90","","2199.5","0.3","150","2","150","2","","","","","","","","4","C 1 c 1","C -2yc","9","","","","- C28 H19 N5 O2 -","- C28 H19 N5 O2 -","- C112 H76 N20 O8 -","4","1","","El-Hiti, Gamal A.; Abdel-Wahab, Bakr F.; Hegazy, Amany S.; Alamri, Mesfer; Kariuki, Benson M.","Crystal structure of 2-((3-(5-methyl-1-phenyl-1H-1,2,3-triazol-4-yl)-1-phenyl-1H-pyrazol-4-yl)methylene)-1H-indene-1,3(2H)-dione, C28H19N5O2","Zeitschrift für Kristallographie - New Crystal Structures","2017","232","1","19","20","10.1515/ncrs-2016-0108","","","0.71073","MoKα","","0.1105","0.0632","","","0.1376","0.1727","","","","","","0.992","","","","has coordinates","280146","2023-01-06","08:17:40",""
"8106418","7.5726","0.0008","11.1428","0.0013","16.412","0.002","91.823","0.005","102.277","0.005","106.692","0.004","1289.8","0.3","296","2","296","2","","","","","","","","5","P -1","-P 1","2","","","","- C29 H25 F N6 S -","- C29 H25 F N6 S -","- C58 H50 F2 N12 S2 -","2","1","","Ghabbour, Hazem A.; Abdel-Wahab, Bakr F.; Alamri, Mesfer; Al-Omar, Mohamed A.; El-Hiti, Gamal A.","Crystal structure of 2-(5-(4-fluorophenyl)-3-p-tolyl-4,5-dihydro-1H-pyrazol-1-yl)-4-(5-methyl-1-p-tolyl-1H-1,2,3-triazol-4-yl)thiazole, C29H25FN6S","Zeitschrift für Kristallographie - New Crystal Structures","2017","232","1","21","23","10.1515/ncrs-2016-0110","","","0.71073","MoKα","","0.1434","0.079","","","0.1738","0.2047","","","","","","1.092","","","","has coordinates","280147","2023-01-06","08:20:49",""
"8106419","7.8744","0.0006","9.2561","0.0009","9.6688","0.0009","65.775","0.009","87.625","0.007","73.654","0.008","614.48","0.11","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C11 H7 Co2 N3 O7 -","- C11 H7 Co2 N3 O7 -","- C22 H14 Co4 N6 O14 -","2","1","","Teng, Da; Han, Jing; Meng, Qinghua; Rong, Liangce","Crystal structure of poly-[aqua-(μ7-benzene-1,3,5-tricarboxylato)-(μ3-1,2,4-triazol-1-ido)dicobalt(II)], C11H7Co2N3O7","Zeitschrift für Kristallographie - New Crystal Structures","2017","232","1","25","26","10.1515/ncrs-2016-0111","","","0.71073","MoKα","","0.0728","0.0537","","","0.1326","0.1458","","","","","","1.011","","","","has coordinates","280148","2023-01-06","08:24:36",""
"8106420","7.697","0.014","13.91","0.02","16.75","0.03","90","","90","","90","","1793","5","293","2","293","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C20 H24 O6 -","- C20 H24 O6 -","- C80 H96 O24 -","4","1","","Zhao, Neng-Wu; Ye, Jiang-Hai; Zhao, Chen-Liang; Zhang, Jing-Jie; Pan, Lu-Tai","Crystal constructure of 16(S)-methyl-6α-carboxy-1, 15-dioxo-6, 7-seco-ent-kaur-2-en-7, 20-olide, C20H24O6","Zeitschrift für Kristallographie - New Crystal Structures","2017","232","1","27","28","10.1515/ncrs-2016-0112","","","0.71073","MoKα","","0.0638","0.043","","","0.0958","0.1087","","","","","","1.028","","","","has coordinates","280149","2023-01-06","08:27:39",""
"8106421","5.7607","0.0005","9.8397","0.0009","12.092","0.0011","72.899","0.004","81.833","0.004","86.796","0.005","648.4","0.1","200","2","200","2","","","","","","","","4","P -1","-P 1","2","","1-(benzo[d]thiazol-2-yl)-3-phenylthiourea","","- C14 H11 N3 S2 -","- C14 H11 N3 S2 -","- C28 H22 N6 S4 -","2","1","","Jambi, Suhair M. S.; Al-Obaid, Abdul-Rahman M.; Hosten, Eric C.; Betz, Richard; Bari, Ahmed","Crystal structure of 1-(benzo[d]thiazol-2-yl)-3-phenylthiourea, C14H11N3S2","Zeitschrift für Kristallographie - New Crystal Structures","2017","232","1","29","30","10.1515/ncrs-2016-0114","","","0.71073","MoKα","","0.0369","0.0295","","","0.0756","0.0797","","","","","","1.036","","","","has coordinates","280150","2023-01-06","08:34:39",""
"8106422","7.5187","0.0003","8.0634","0.0003","17.532","0.0006","90","","90","","90","","1062.9","0.07","296","2","296","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C9 H11 Br N2 S -","- C9 H11 Br N2 S -","- C36 H44 Br4 N8 S4 -","4","1","","El-Hiti, Gamal A.; Smith, Keith; Hegazy, Amany S.; Hayal Alotaibi, Mohammad; Kariuki, Benson M.","Crystal structure of 3-(2-bromophenyl)-1,1-dimethylthiourea, C9H11BrN2S","Zeitschrift für Kristallographie - New Crystal Structures","2017","232","1","31","32","10.1515/ncrs-2016-0116","","","1.54184","CuKα","","0.023","0.0216","","","0.0524","0.0536","","","","","","1.04","","","","has coordinates","280151","2023-01-06","08:37:04",""
"8106423","25.4796","0.0011","6.7503","0.0003","18.9971","0.0009","90","","90","","90","","3267.4","0.3","293","2","293","2","","","","","","","","5","P c a 21","P 2c -2ac","29","","","","- C17 H21 Cl N2 S -","- C17 H21 Cl N2 S -","- C136 H168 Cl8 N16 S8 -","8","2","","Al-Omary, Fatmah A. M.; Al-Rasheed, Lamees S.; Ghabbour, Hazem A.; El-Emam, Ali A.","Crystal structure of 1-(adamantan-1-yl)-3-(3-chlorophenyl)thiourea, C17H21ClN2S","Zeitschrift für Kristallographie - New Crystal Structures","2017","232","1","33","35","10.1515/ncrs-2016-0117","","","1.54178","CuKα","","0.0577","0.0448","","","0.0992","0.1057","","","","","","1.042","","","","has coordinates","280152","2023-01-06","08:39:37",""
"8106424","9.2558","0.0012","13.0186","0.0017","13.4684","0.0018","90","","90","","90","","1622.9","0.4","100","2","100","2","","","","","","","","5","P n a 21","P 2c -2n","33","","","","- C17 H21 Br N2 O -","- C17 H21 Br N2 O -","- C68 H84 Br4 N8 O4 -","4","1","","Al-Omary, Fatmah A. M.; Al-Rasheed, Lamees S.; Ghabbour, Hazem A.; El-Emam, Ali A.","Crystal structure of 3-(adamantan-1-yl)-1-(4-bromophenyl)urea, C17H21BrN2O","Zeitschrift für Kristallographie - New Crystal Structures","2017","232","1","37","39","10.1515/ncrs-2016-0118","","","0.71073","MoKα","","0.1243","0.0471","","","0.0868","0.1059","","","","","","0.994","","","","has coordinates","280211","2023-01-06","09:56:47",""
"8106425","8.6471","0.0004","9.5576","0.0005","9.7098","0.0005","91.054","0.002","109.38","0.002","113.769","0.002","681.95","0.06","296","2","296","2","","","","","","","","5","P -1","-P 1","2","","","","- C14 H14 N2 O2 S -","- C14 H14 N2 O2 S -","- C28 H28 N4 O4 S2 -","2","1","","Mabkhot, Yahia N.; Ghabbour, Hazem A.; Al-aizari, Faiz A.; Al-Showiman, Salim","Crystal structure of (Z)-Ethyl 2-cyano-2-(3-phenylthiazolidin-2-ylidene) acetate, C14H14N2O2S","Zeitschrift für Kristallographie - New Crystal Structures","2017","232","1","41","42","10.1515/ncrs-2016-0121","","","0.71073","MoKα","","0.0839","0.0608","","","0.1554","0.1745","","","","","","1.05","","","","has coordinates","280219","2023-01-06","09:59:09",""
"8106426","9.7186","0.0012","13.4479","0.0016","13.6679","0.0017","90","","90","","90","","1786.3","0.4","173.15","","173.15","","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","orthorhombic","","- C21 H24 N2 O3 -","- C21 H24 N2 O3 -","- C84 H96 N8 O12 -","4","1","","Qiu, Rui-Xia; Li, Guo-Qiang; Chen, Hong-Ji; Wang, Lin; Wang, Chun-Hua","Crystal structure of methyl 2b-ethyl-1a,2a,2b,2b1,3,5,10,11-octahydro-1H-oxireno[2′,3′:6,7]indolizino[8,1-cd]carbazole-4-carboxylate, C21H24N2O3","Zeitschrift für Kristallographie - New Crystal Structures","2017","232","1","43","45","10.1515/ncrs-2016-0129","","","0.71073","MoKα","","0.0393","0.0346","","","0.0895","0.0938","","","","","","1.044","","","","has coordinates","280220","2023-01-06","10:02:15",""
"8106427","8.605","0.005","8.496","0.004","23.771","0.005","90","","95.853","0.019","90","","1728.8","1.3","296","2","296","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C18 H18 N2 O5 -","- C18 H18 N2 O5 -","- C72 H72 N8 O20 -","4","1","","Li, Jingwei; Lin, Jiali; Zhang, Mingna; Wang, Ke; He, Jieli","Crystal structure of 2-amino-5-oxo-4-(3,4,5-trimethoxy-phenyl)-4,5,6,7-tetrahydro-cyclopenta[b]pyran-3-carbonitrile, C18H18N2O5","Zeitschrift für Kristallographie - New Crystal Structures","2017","232","1","47","48","10.1515/ncrs-2016-0133","","","0.71073","MoKα","","0.0758","0.0461","","","0.1198","0.1309","","","","","","1.026","","","","has coordinates","280221","2023-01-06","10:05:15",""
"8106428","32.3","0.003","7.2653","0.0006","10.4316","0.001","90","","102.133","0.005","90","","2393.3","0.4","296","2","296.15","","","","","","","","","3","C 1 2/c 1","-C 2yc","15","","","","- C14 H16 N2 -","- C14 H16 N2 -","- C112 H128 N16 -","8","1","","Li, Zhong-Yan; Yuan, Xian-You; Yuan, Lin; Zhang, Min","Crystal structure of 1,2,3-trimethyl-2,3-dihydro-1H-perimidine, C14H16N2","Zeitschrift für Kristallographie - New Crystal Structures","2017","232","1","49","50","10.1515/ncrs-2016-0134","","","0.71073","MoKα","","0.0607","0.0464","","","0.1277","0.1411","","","","","","1.05","","","","has coordinates","280225","2023-01-06","10:07:40",""
"8106429","8.9118","0.0005","20.7857","0.0011","11.7642","0.0006","90","","100.677","0.002","90","","2141.4","0.2","293","2","296","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C34 H30 Cl4 Gd2 N8 O14 -","- C34 H30 Cl4 Gd2 N8 O14 -","- C68 H60 Cl8 Gd4 N16 O28 -","2","0.5","","Youzhu, Yu; Yuhua, Guo; Liguo, Yang; Yongsheng, Niu","Crystal structure of bis(2,6-dihydroxymethyl)pyridine-κ3 N,O,O′)-bis(μ2-6-chloropyridin-2-olato-κ3 N,O:O)-bis(6-chloropyridin-2-olato-κO)-bis(nitrato-κ2 O,O′)digadolinium(III), C34H30Cl4Gd2N8O14","Zeitschrift für Kristallographie - New Crystal Structures","2017","232","1","51","52","10.1515/ncrs-2016-0137","","","0.71073","MoKα","","0.0348","0.0245","","","0.0774","0.1057","","","","","","1.268","","","","has coordinates","280226","2023-01-06","10:10:03",""
"8106430","6.6207","0.0003","9.4712","0.0005","28.0365","0.0014","90","","94.716","0.002","90","","1752.1","0.15","296","2","296","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C19 H27 N O3 -","- C19 H27 N O3 -","- C76 H108 N4 O12 -","4","1","","Wang, Kun-Yan; Yang, Xiao-Li","Crystal structure of 8-isopropyl-8-aza-bicyclo[3.2.1]octan-3-yl 3-hydroxy-2-phenylpropanoate, C19H27NO3","Zeitschrift für Kristallographie - New Crystal Structures","2017","232","1","53","54","10.1515/ncrs-2016-0144","","","0.71073","MoKα","","0.1235","0.0519","","","0.0945","0.1153","","","","","","1.024","","","","has coordinates","280227","2023-01-06","10:11:56",""
"8106431","5.9059","0.0002","10.1508","0.0005","13.6286","0.0006","88.499","0.002","88.744","0.002","84.569","0.002","812.93","0.06","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","1-methyl-3-[((naphthalen-2-ylsulfonyl)oxy)imino]indolin- 2-one","","- C19 H14 N2 O4 S -","- C19 H14 N2 O4 S -","- C38 H28 N4 O8 S2 -","2","1","","El-Faham, Ayman; Khattab, Sherine N.; Ghabbour, Hazem A.","Crystal structure of 1-methyl-3-[((naphthalen-2-ylsulfonyl)oxy)imino]indolin-2-one, C19H14N2O4S","Zeitschrift für Kristallographie - New Crystal Structures","2017","232","1","55","57","10.1515/ncrs-2016-0146","","","0.71073","MoKα","","0.0966","0.0578","","","0.1337","0.1473","","","","","","1.175","","","","has coordinates","280228","2023-01-06","10:22:22",""
"8106432","9.384","0.0009","17.0119","0.0018","19.9631","0.0019","90","","112.25","0.002","90","","2949.6","0.5","298","2","298","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C21 H42 B9 Ni O2 P2 -","- C21 H42 B9 Ni O2 P2 -","- C84 H168 B36 Ni4 O8 P8 -","4","1","","Liguo, Yang; xin, Wang; Qianqian, Gao; Yuqiang, Dai","Crystal structure (7,8-bis(diisopropylphosphino)-7,8-dicarba-nido-undecaborane-κ2 P,P′)-(benzoato-κ2 O,O′)nickel(II), C21H42B9NiO2P2","Zeitschrift für Kristallographie - New Crystal Structures","2017","232","1","59","61","10.1515/ncrs-2016-0148","","","0.71073","MoKα","","0.1101","0.0585","","","0.1323","0.1489","","","","","","1.045","","","","has coordinates","280229","2023-01-06","10:25:22",""
"8106433","10.137","0.002","12.3205","0.0018","14.7","0.003","90","","106.432","0.001","90","","1760.9","0.6","293","","293","","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C21 H19 N O3 -","- C21 H19 N O3 -","- C84 H76 N4 O12 -","4","1","","Naganagowda, Gadada; Mahlaka, Thabo Joel; Meijboom, Reinout","Crystal structure of methyl-2-methyl-4-(2-oxo-2-phenylethyl)-5-phenyl-1H-pyrrole-3-carboxylate, C21H19NO3","Zeitschrift für Kristallographie - New Crystal Structures","2017","232","1","63","65","10.1515/ncrs-2016-0149","","","0.71075","MoKα","","","0.0512","","","","0.181","","","","","","1.096","","","","has coordinates","280230","2023-01-06","10:27:44",""
"8106434","28.1174","0.001","9.8677","0.0004","11.2738","0.0004","90","","98.4457","0.0011","90","","3094","0.2","296","1","296","1","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C13 H14 N2 O6 S2 -","- C13 H14 N2 O6 S2 -","- C104 H112 N16 O48 S16 -","8","1","","Chen, Qing-Wu; Shen, De-Long","Crystal structure of 2-[(2-oxo-thiazolidine-3-carbonyl)sulfamoyl]-methy-benzoic acid methyl ester, C13H14N2O6S2","Zeitschrift für Kristallographie - New Crystal Structures","2017","232","1","67","68","10.1515/ncrs-2016-0150","","","0.71073","MoKα","","0.0682","0.0382","","","0.0875","0.1141","","","","","","1.002","","","","has coordinates","280231","2023-01-06","10:30:03",""
"8106435","27.991","0.0012","6.5721","0.0003","14.2821","0.0007","90","","92.6","0.003","90","","2624.6","0.2","100","2","100","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C13 H14 N2 O3 S -","- C13 H14 N2 O3 S -","- C104 H112 N16 O24 S8 -","8","1","","El-Faham, Ayman; El-Merghany, Adel; Ghabbour, Hazem A.","Crystal structure of N′-(2-phenylacetyl)thiophene-2-carbohydrazide monohydrate, C13H14N2O3S","Zeitschrift für Kristallographie - New Crystal Structures","2017","232","1","69","71","10.1515/ncrs-2016-0152","","","0.71073","MoKα","","0.0636","0.0424","","","0.0974","0.1052","","","","","","1.045","","","","has coordinates","280232","2023-01-06","10:33:01",""
"8106436","8.8173","0.0012","8.8845","0.0012","9.1494","0.0012","62.206","0.001","64.298","0.001","89.661","0.002","553.72","0.13","296","2","296","2","","","","","","","","5","P -1","-P 1","2","","","","- C14 H24 F12 N4 P2 -","- C14 H24 F12 N4 P2 -","- C14 H24 F12 N4 P2 -","1","0.5","","Xu-Liang, Nie; Juan-Hua, Kong; Jing, Chen; Jin-Zhu, Chen; Wan-Ming, Xiong","Crystal structure of 1,1′-(hexane-1,6-diyl)bis(3-methyl-1H-imidazol-3-ium) bis(hexafluoro phosphate), C14H24F12N4P2","Zeitschrift für Kristallographie - New Crystal Structures","2017","232","1","73","74","10.1515/ncrs-2016-0153","","","0.71073","MoKα","","0.0796","0.0746","","","0.2038","0.2114","","","","","","1.047","","","","has coordinates,has disorder","280273","2023-01-11","08:38:25",""
"8106437","31.783","0.003","10.078","0.001","24.9326","0.0019","90","","109.901","0.002","90","","7509.2","1.2","298","2","298","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C52 H108 B20 Cl2 P4 Zn2 -","- C52 H108 B20 Cl2 P4 Zn2 -","- C208 H432 B80 Cl8 P16 Zn8 -","4","0.5","","Xin, Wang; Liguo, Yang; Qianqian, Gao; Yuqiang, Dai","Crystal structure of di-μ-chlorido-bis[1,2-bis(dicyclohexylphosphino)-1,2-dicarba-closo-dodecaborane-κ2P,P′]zinc(II), C52H108B20Cl2P4Zn2","Zeitschrift für Kristallographie - New Crystal Structures","2017","232","1","75","77","10.1515/ncrs-2016-0155","","","0.71073","MoKα","","0.1474","0.0569","","","0.0876","0.0972","","","","","","0.89","","","","has coordinates","280274","2023-01-11","08:44:23",""
"8106438","15.5262","0.0006","13.2099","0.0007","14.837","0.0005","90","","95.688","0.003","90","","3028.1","0.2","291","2","291.15","","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C30 H26 Br2 Hg N10 -","- C30 H26 Br2 Hg N10 -","- C120 H104 Br8 Hg4 N40 -","4","0.5","","Wang, Xia; Shi, Jing-Jing; Zhang, Shu-Ling; Li, Han-Bing","Crystal structure of dibromido-bis[μ-1-[(2-methyl-1H-benzoimidazol-1-yl)methyl]-1H-benzotriazole-κN]mercury(II), C30H26Br2HgN10","Zeitschrift für Kristallographie - New Crystal Structures","2017","232","1","79","80","10.1515/ncrs-2016-0157","","","0.7107","MoKα","","0.0486","0.0329","","","0.0519","0.0561","","","","","","1.019","","","","has coordinates","280275","2023-01-11","08:48:15",""
"8106439","10.12","0.001","11.9101","0.0011","14.4999","0.0015","86.432","0.002","80.67","0.001","84.031","0.002","1713.4","0.3","298","2","298","2","","","","","","","","8","P -1","-P 1","2","","","","- C54 H64 Ag2 B20 Cl4 N2 O6 P4 -","- C54 H64 Ag2 B20 Cl4 N2 O6 P4 -","- C54 H64 Ag2 B20 Cl4 N2 O6 P4 -","1","0.5","","Yanfei, Wang; Xin, Wang; Qianqian, Gao; Liguo, Yang","Crystal structure of bis(μ-nitrato-κ2 O:O)-bis[1,2-bis(diphenylphosphino)-1,2-dicarba-closo-dodecaborane-κ2 P,P′]disilver(I) dicloromethane monosolvate, C54H64B20Cl4O6P4Ag2","Zeitschrift für Kristallographie - New Crystal Structures","2017","232","1","81","83","10.1515/ncrs-2016-0160","","","0.71073","MoKα","","0.0738","0.0535","","","0.14","0.1544","","","","","","0.981","","","","has coordinates","280276","2023-01-11","08:51:01",""
"8106440","10.44","0.04","9.13","0.03","22.46","0.07","90","","100.88","0.04","90","","2102","12","296","2","296","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C36 H42 Cl2 Fe2 N14 O6 -","- C36 H42 Cl2 Fe2 N14 O6 -","- C72 H84 Cl4 Fe4 N28 O12 -","2","0.5","","Cao, Xin; Sun, Jianhua; Li, Weihua; Lu, Hui","Crystal structure of dinuclear dichloridobis(dimethylformamide-kO)bis[μ2-3-(2-oxyphenyl)-5-(pyrazin-2-yl)-1,2,4-triazol-1ido-κ4-O,N:N′,N′′(2 − )]diiron(III) − dimethylformamide (1/1), C36H42Cl2Fe2N14O6","Zeitschrift für Kristallographie - New Crystal Structures","2017","232","1","85","86","10.1515/ncrs-2016-0161","","","0.71073","MoKα","","0.0938","0.0599","","","0.1363","0.1563","","","","","","1.057","","","","has coordinates","280277","2023-01-11","08:54:20",""
"8106441","7.3533","0.0003","11.8078","0.0005","12.6376","0.0005","90","","110.028","0.002","90","","1030.92","0.07","296","2","296","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","[Bis(Nitrate)(3-(4-pyridyl)pyrazole)(water)zinc(II)]","","- C16 H18 Mn N8 O8 -","- C16 H18 Mn N8 O8 -","- C32 H36 Mn2 N16 O16 -","2","0.5","","Zhu, Guang-Zhou; Li, Chun-Ling; Feng, Yu-Yu; Feng, Xiao-Wan; Yang, Feng-Lei","Crystal structure of diaqua-dinitrato-κO-bis(4-(1H-pyrazol-3-yl)pyridine-κN)manganese(II), C16H18MnN8O8","Zeitschrift für Kristallographie - New Crystal Structures","2017","232","1","87","88","10.1515/ncrs-2016-0162","","","0.71073","MoKα","","0.0338","0.0312","","","0.1112","0.1166","","","","","","1.043","","","","has coordinates","280278","2023-01-11","08:58:01",""
"8106442","9.4332","0.0009","15.5668","0.0016","7.6825","0.0008","90","","102.834","0.0011","90","","1099.95","0.19","293","2","293","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","(Z)-6-methoxy-2-(2,2,2-trifluoro-1-hydroxyethylidene)-2,3-dihydro-1H-inden- 1-one","","- C12 H9 F3 O3 -","- C12 H9 F3 O3 -","- C48 H36 F12 O12 -","4","1","","Xing, DongYe; Hou, YanJun; Chu, WenYi; Sun, ZhiZhong","Crystal structure of (Z)-6-methoxy-2-(2,2,2-trifluoro-1-hydroxyethylidene)-2,3-dihydro-1H-inden-1-one, C12H6F6O3","Zeitschrift für Kristallographie - New Crystal Structures","2017","232","1","89","90","10.1515/ncrs-2016-0163","","","0.71073","MoKα","","0.0528","0.0433","","","0.1178","0.1264","","","","","","1.037","","","","has coordinates,has disorder","280279","2023-01-11","09:00:44",""
"8106443","9.8798","0.0003","13.9285","0.0005","7.3161","0.0003","90","","100.512","0.003","90","","989.88","0.06","296","2","296","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C7 H10 Cl2 N2 O2 -","- C7 H10 Cl2 N2 O2 -","- C28 H40 Cl8 N8 O8 -","4","1","","Ghorab, Mostafa M.; Alsaid, Mansour S.; Ghabbour, Hazem A.","Crystal Structure of 4-(2-chloroacetamido)pyridinium chloride monohydrate, C7H10Cl2N2O2","Zeitschrift für Kristallographie - New Crystal Structures","2017","232","1","91","92","10.1515/ncrs-2016-0164","","","1.54178","CuKα","","0.0679","0.0475","","","0.1079","0.1178","","","","","","1.053","","","","has coordinates","280280","2023-01-11","09:09:38",""
"8106444","13.7576","0.001","11.0534","0.0005","19.6232","0.0014","90","","107.776","0.008","90","","2841.6","0.3","293","2","293","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C16 H13 Cl N2 O2 -","- C16 H13 Cl N2 O2 -","- C128 H104 Cl8 N16 O16 -","8","1","","Li, Jingwei; Yang, Jianxiang; Tao, Qianqian; Yue, Chenxi; He, Jieli","Crystal structure of 2-amino-4-(4-chloro-phenyl)-5-oxo-5,6,7,8-tetrahydro-4H-chromene-3-carbonitrile, C16H13ClN2O2","Zeitschrift für Kristallographie - New Crystal Structures","2017","232","1","93","94","10.1515/ncrs-2016-0167","","","0.71073","MoKα","","0.0579","0.0407","","","0.0977","0.1105","","","","","","1.032","","","","has coordinates","280281","2023-01-11","09:14:36",""
"8106445","7.5069","0.0002","9.4329","0.0003","11.9723","0.0004","81.6963","0.0011","78.2307","0.0009","86.7","0.001","820.91","0.04","296","2","296","2","","","","","","","","6","P -1","-P 1","2","","","","- C15 H17 Cl N4 O S -","- C15 H17 Cl N4 O S -","- C30 H34 Cl2 N8 O2 S2 -","2","1","","El-Faham, Ayman; Ghabbour, Hazem A.","Crystal structure of (E)-1-(2-(thiophen-2-ylmethylene)hydrazinyl)phthalazine hydrochloride–ethanol (1/1), C15H17ClN4OS","Zeitschrift für Kristallographie - New Crystal Structures","2017","232","1","95","97","10.1515/ncrs-2016-0168","","","0.71073","MoKα","","0.0651","0.0621","","","0.1865","0.1923","","","","","","1.055","","","","has coordinates","280282","2023-01-11","09:18:59",""
"8106446","12.0359","0.0015","5.4815","0.0006","20.1931","0.0018","90","","120.78","0.005","90","","1144.6","0.2","298","2","298","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C9 H12 Br N3 O3 -","- C9 H12 Br N3 O3 -","- C36 H48 Br4 N12 O12 -","4","1","","Wu, Guang-Hui; Shi, Xian-Bo; Lian, Yu-Feng; Xiang, Hua-Bin; Xiong, Jing","Crystal structure of N,N-diethyl-5-bromo-3,4-dihydro-2,4-dioxopyrimidine-1(2H)-carboxamide, C9H12BrN3O3","Zeitschrift für Kristallographie - New Crystal Structures","2017","232","1","99","100","10.1515/ncrs-2016-0169","","","0.71073","MoKα","","0.028","0.0234","","","0.0882","0.0984","","","","","","1.021","","","","has coordinates","280296","2023-01-12","10:06:55",""
"8106447","5.9066","0.0002","15.7928","0.0003","21.7829","0.0006","90","","90","","90","","2031.95","0.1","150","2","150","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C24 H25 Cl N2 O2 -","- C24 H25 Cl N2 O2 -","- C96 H100 Cl4 N8 O8 -","4","1","","Alshammari, Mohammed B.; Smith, Keith; Hegazy, Amany S.; Kariuki, Benson M.; El-Hiti, Gamal A.","Crystal structure of 3-(2-(4-chlorophenyl)-3-hydroxy-3,3-diphenylpropyl)-1,1-dimethylurea, C24H25ClN2O2","Zeitschrift für Kristallographie - New Crystal Structures","2017","232","1","101","103","10.1515/ncrs-2016-0170","","","1.54184","CuKα","","0.0364","0.0319","","","0.0814","0.0838","","","","","","1.053","","","","has coordinates","280297","2023-01-12","10:09:43",""
"8106448","14.844","0.0004","7.2002","0.0002","10.092","0.0002","90","","99.733","0.002","90","","1063.11","0.05","296","2","296","2","","","","","","","","5","P 1 c 1","P -2yc","7","","","","- C9 H11 Cl N2 S -","- C9 H11 Cl N2 S -","- C36 H44 Cl4 N8 S4 -","4","2","","El-Hiti, Gamal A.; Smith, Keith; Alshammari, Mohammed B.; Hegazy, Amany S.; Kariuki, Benson M.","Crystal structure of 3-(4-chlorophenyl)-1,1-dimethylthiourea, C9H11ClN2S","Zeitschrift für Kristallographie - New Crystal Structures","2017","232","1","105","107","10.1515/ncrs-2016-0171","","","1.54184","CuKα","","0.0429","0.0399","","","0.1059","0.1099","","","","","","1.021","","","","has coordinates","280298","2023-01-12","10:12:16",""
"8106449","21.504","0.003","8.2788","0.001","18.17","0.003","90","","110.511","0.005","90","","3029.7","0.8","293","2","293","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C16 H11 Br N2 O3 -","- C16 H11 Br N2 O3 -","- C128 H88 Br8 N16 O24 -","8","1","","Yu, Xue-Jun; Zhao, Lin-Ping; Ma, Long-Ji; Gong, Hua-Fen","Crystal structure of 2-amino-4-(4-bromo-phenyl)-7-methyl-5-oxo-4H,5H-pyrano[4,3-b]pyran-3-carbonitrile, C16H11BrN2O3","Zeitschrift für Kristallographie - New Crystal Structures","2017","232","1","109","110","10.1515/ncrs-2016-0172","","","0.71073","MoKα","","0.0519","0.0429","","","0.1176","0.1251","","","","","","1.064","","","","has coordinates","280299","2023-01-12","10:14:36",""
"8106450","7.336","0.004","10.825","0.004","12.322","0.003","70.94","0.018","75.965","0.019","82.483","0.019","895.8","0.6","296","2","296","2","","","","","","","","4","P -1","-P 1","2","","","","- C21 H25 N O3 -","- C21 H25 N O3 -","- C42 H50 N2 O6 -","2","1","","Meng, Jing; Dai, Yifei; Sui, Feng","Crystal structure of 4-(3,4-dimethyl-phenyl)-2-methyl-5-oxo-1,4,5,6,7,8-hexahydro-quinoline-3-carboxylic acid ethyl ester, C21H25NO3","Zeitschrift für Kristallographie - New Crystal Structures","2017","232","1","111","112","10.1515/ncrs-2016-0173","","","0.71073","MoKα","","0.1044","0.0736","","","0.1667","0.1827","","","","","","1.066","","","","has coordinates","280300","2023-01-12","10:16:53",""
"8106451","10.6646","0.0019","10.7784","0.0017","11.15","0.002","67.787","0.007","64.309","0.007","64.271","0.007","1011.6","0.3","293","","293","","","","","","","","","4","P -1","-P 1","2","","","","- C23 H26 N2 O3 -","- C23 H26 N2 O3 -","- C46 H52 N4 O6 -","2","1","","Tugrak, Mehtap; Aydin, Abdullah; Gul, Halise Inci; Sahin, Ertan; Akkurt, Mehmet","Crystal structure of (E)-2-({4-hydroxy-5-methoxy-3-[(4-methyl-1-piperazinyl)methyl]phenyl} methylidene)-1-indanone, C23H26N2O3","Zeitschrift für Kristallographie - New Crystal Structures","2017","232","1","113","115","10.1515/ncrs-2016-0176","","x-ray","0.71073","MoKα","","0.1002","0.0502","","","0.1191","0.1481","","","","","","1.02","","","","has coordinates","280301","2023-01-12","10:19:57",""
"8106452","9.6569","0.0004","10.9361","0.0004","13.8551","0.0006","113.198","0.003","95.632","0.004","91.114","0.003","1335.72","0.1","150","2","296","2","","","","","","","","4","P 1","P 1","1","","","","- C60 H72 N2 O12 -","- C60 H72 N2 O12 -","- C60 H72 N2 O12 -","1","1","","Wu, Xiangxiang; Zai, Yanbing","Crystal structure of tripropylammonium 2′-carboxy-[1,1′-biphenyl]-2-carboxylate – [1,1′-biphenyl]-2,2′-dicarboxylic acid (2/1), C60H72N2O12","Zeitschrift für Kristallographie - New Crystal Structures","2017","232","1","117","119","10.1515/ncrs-2016-0177","","","","MoKα","","0.056","0.0512","","","0.1335","0.138","","","","","","1.042","","","","has coordinates","280302","2023-01-12","10:22:50",""
"8106453","8.6296","0.0004","12.9969","0.0006","14.8944","0.0006","114.863","0.001","90.896","0.001","105.37","0.001","1445.99","0.11","293","2","293","2","","","","","","","","6","P -1","-P 1","2","","","","- C30 H30 N4 Ni O5 Si -","- C30 H30 N4 Ni O5 Si -","- C60 H60 N8 Ni2 O10 Si2 -","2","1","","Cai, Yan","Crystal structure of catena-poly-{aqua-[μ2-1,2-bis((1H-imidazol-1-yl)methyl)benzene-κ2 N:N′]-[μ2-4,4′-(dimethylsilanediyl)dibenzato-κ3 O,O′:O′]nickel(II)}, C30H30N4NiO5Si","Zeitschrift für Kristallographie - New Crystal Structures","2017","232","1","121","123","10.1515/ncrs-2016-0179","","","0.71073","MoKα","","0.0329","0.0272","","","0.0735","0.0818","","","","","","1.123","","","","has coordinates","280303","2023-01-12","10:25:37",""
"8106454","14.1884","0.001","5.3673","0.0004","22.3768","0.0015","90","","93.293","0.002","90","","1701.3","0.2","273","2","273","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C18 H20 Br F N2 O -","- C18 H20 Br F N2 O -","- C72 H80 Br4 F4 N8 O4 -","4","1","","Zhang, Yang; Wang, Su; Sun, Juan","The crystal structure of 1-(4-bromophenyl)-2-(4-(4-fluorophenyl)piperazin-1-yl)ethanol, C18H20BrFN2O1","Zeitschrift für Kristallographie - New Crystal Structures","2017","232","1","125","126","10.1515/ncrs-2016-0180","","","0.71073","MoKα","","0.0993","0.051","","","0.1172","0.1384","","","","","","1.006","","","","has coordinates","280304","2023-01-12","10:28:44",""
"8106455","20.868","0.003","11.6189","0.0015","15.0133","0.0019","90","","101.344","0.007","90","","3569.1","0.8","296","2","296","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C17 H19 N O6 S -","- C17 H19 N O6 S -","- C136 H152 N8 O48 S8 -","8","1","","Hou, Shanshan; Hou, Yimin; Wu, Mingxia","Crystal structure of trimethylammonium 4-((4-carboxyphenyl)sulfonyl)benzoate, C17H19NO6S","Zeitschrift für Kristallographie - New Crystal Structures","2017","232","1","127","128","10.1515/ncrs-2016-0181","","","0.71073","MoKα","","0.0659","0.051","","","0.1545","0.1714","","","","","","1.034","","","","has coordinates","280305","2023-01-12","10:32:09",""
"8106456","13.3172","0.0006","9.1454","0.0005","13.8551","0.0005","90","","98.93","0.004","90","","1666.97","0.13","293","2","293","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C19 H24 O2 -","- C19 H24 O2 -","- C76 H96 O8 -","4","1","","Yinchun, Jiao; Shuang, Deng","Crystal structure of syn-2,4-di-o-tolylpentane-2,4-diol, C19H24O2","Zeitschrift für Kristallographie - New Crystal Structures","2017","232","1","129","130","10.1515/ncrs-2016-0187","","","1.54184","CuKα","","0.0705","0.051","","","0.1449","0.1647","","","","","","1.042","","","","has coordinates","280306","2023-01-12","10:34:26",""
"8106457","18.8292","0.0014","11.4568","0.0009","8.34","0.0006","90","","90.791","0.003","90","","1799","0.2","296","2","296","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C15 H7 Br F6 N2 O S2 -","- C15 H7 Br F6 N2 O S2 -","- C60 H28 Br4 F24 N8 O4 S8 -","4","1","","Al-Omary, Fatmah A. M.; Alanazi, Fahdah S.; Ghabbour, Hazem A.; El-Emam, Ali A.","Crystal structure of 2-[3,5-bis(trifluoromethyl)benzylsulfanyl]-5-(5-bromothiophen-2-yl)-1,3,4-oxadiazole, C15H7BrF6N2OS2","Zeitschrift für Kristallographie - New Crystal Structures","2017","232","1","131","133","10.1515/ncrs-2016-0188","","","0.71073","MoKα","","0.1121","0.0683","","","0.1719","0.1986","","","","","","1.032","","","","has coordinates,has disorder","280307","2023-01-12","10:36:45",""
"8106458","7.2641","0.0005","12.3968","0.0006","16.1786","0.0013","90","","108.2","0.006","90","","1384.02","0.17","293","2","293","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C17 H12 N2 O3 -","- C17 H12 N2 O3 -","- C68 H48 N8 O12 -","4","1","","Bülbül, Hakan; Köysal, Yavuz; Macit, Mustafa; Yaman, Rukiye; Dege, Necmi","Crystal structure of (E)-3-((naphthalen-1-ylimino)methyl)-4-nitrophenol, C17H12N2O3","Zeitschrift für Kristallographie - New Crystal Structures","2017","232","1","135","136","10.1515/ncrs-2016-0191","","","0.71073","MoKα","","0.1635","0.0905","","","0.1587","0.1928","","","","","","1.034","","","","has coordinates","280308","2023-01-12","10:39:20",""
"8106459","11.151","0.002","7.0923","0.0014","29.243","0.006","90","","90","","90","","2312.7","0.8","293","2","293","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C10 H9 Cl2 N2 O4 -","- C10 H9 Cl2 N O4 -","- C80 H72 Cl16 N8 O32 -","8","1","","Qi, Bo-Shu; Sun, Xiao-Nan; Yang, Huan-Huan; Fu, Ying; Ye, Fei","Crystal structure of 2-dichloromethyl-2-p-nitrophenyl-1,3-dioxolane, C10H9Cl2NO4","Zeitschrift für Kristallographie - New Crystal Structures","2017","232","1","137","138","10.1515/ncrs-2016-0192","","","0.71073","MoKα","","0.0712","0.0459","","","0.1223","0.1348","","","","","","1.031","","","","has coordinates","280325","2023-01-13","08:29:13",""
"8106460","9.075","0.002","8.3534","0.0019","12.106","0.003","90","","94.895","0.004","90","","914.4","0.4","223","2","223","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","(1,4,8,11-Tetraazacyclotetradecane)palladium(II) tetracyanopalladate(II)","","- C14 H24 N8 Pd2 -","- C14 H24 N8 Pd2 -","- C28 H48 N16 Pd4 -","2","0.5","","Ha, Kwang","Crystal structure of (1,4,8,11-tetraazacyclotetradecane)palladium(II) tetracyanopalladate(II), C14H24N8Pd2","Zeitschrift für Kristallographie - New Crystal Structures","2017","232","1","139","140","10.1515/ncrs-2016-0193","","","0.71073","MoKα","","0.032","0.022","","","0.0571","0.0654","","","","","","1.091","","","","has coordinates","280326","2023-01-13","08:32:11",""
"8106461","4.8114","0.0002","12.1265","0.0005","14.2881","0.0006","90","","92.845","0.001","90","","832.62","0.06","100","2","100","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C5 H7 N O4 S2 -","- C5 H7 N O4 S2 -","- C20 H28 N4 O16 S8 -","4","1","","Barakat, Assem; Ali, M.; Al-Majid, Abdullah Mohammed; Ghabbour, Hazem A.","Crystal structure of 2-(4-oxo-2-thioxothiazolidin-3-yl)acetic acid monohydrate, C5H7NO4S2","Zeitschrift für Kristallographie - New Crystal Structures","2017","232","1","141","142","10.1515/ncrs-2016-0197","","","0.71073","MoKα","","0.0431","0.0302","","","0.0687","0.0731","","","","","","1.032","","","","has coordinates","280327","2023-01-13","08:35:42",""
"8106462","14.3799","0.0005","15.4444","0.0006","9.5555","0.0005","90","","90","","90","","2122.17","0.16","153","2","153","2","","","","","","","","4","P 21 21 2","P 2 2ab","18","","","","- C50 H66 P4 Ti2 -","- C50 H66 P4 Ti2 -","- C100 H132 P8 Ti4 -","2","0.5","","Oswald, Tim; Beermann, Thomas; Saak, Wolfgang; Beckhaus, Rüdiger","Crystal structure of a P4-bridged (η 5-pentamethyl-cyclopentadienyl)(η 5-adamantylcyclopentadienyl) titanium(III)complex, C50H66P4Ti2","Zeitschrift für Kristallographie - New Crystal Structures","2017","232","1","143","145","10.1515/ncrs-2016-0198","","","0.71073","MoKα","","0.0513","0.0334","","","0.0628","0.0666","","","","","","0.9","","","","has coordinates","280328","2023-01-13","08:38:26",""
"8106463","12.1303","0.0005","12.1303","0.0005","28.7471","0.0012","90","","90","","90","","4230","0.3","223","2","223","2","","","","","","","","5","I 41/a :2","-I 4ad","88","","cis-bis(2,2'-bipyrimidine-κ^2^N,N')bis(thiocyanato-κ<i>N</i>)nickel(II)","","- C18 H12 N10 Ni S2 -","- C18 H12 N10 Ni S2 -","- C144 H96 N80 Ni8 S16 -","8","0.5","","Ha, Kwang","Crystal structure of cis-bis(2,2′-bipyrimidine-κ2N,N′)bis(thiocyanato-κN)nickel(II), C18H12N10NiS2","Zeitschrift für Kristallographie - New Crystal Structures","2017","232","1","147","148","10.1515/ncrs-2016-0202","","","0.71073","MoKα","","0.0418","0.0329","","","0.0798","0.0854","","","","","","1.061","","","","has coordinates","280329","2023-01-13","08:42:38",""
"8106464","7.2925","0.0004","8.9214","0.0005","17.7808","0.0009","90.484","0.003","98.965","0.003","113.003","0.003","1048.75","0.1","223","2","223","2","","","","","","","","5","P -1","-P 1","2","","cis-Bis(2,2'-bipyridine-κ^2^<i>N,N'</i>)bis(thiocyanato-κ<i>N</i>)nickel(II)","","- C22 H16 N6 Ni S2 -","- C22 H16 N6 Ni S2 -","- C44 H32 N12 Ni2 S4 -","2","1","","Ha, Kwang","Crystal structure of cis-bis(2,2′-bipyridine-κ2 N,N′)bis(thiocyanato-κN)nickel(II), C22H16N6NiS2","Zeitschrift für Kristallographie - New Crystal Structures","2017","232","1","151","152","10.1515/ncrs-2016-0204","","","0.71073","MoKα","","0.1038","0.048","","","0.0698","0.0824","","","","","","1.088","","","","has coordinates","280330","2023-01-13","08:47:32",""
"8106465","6.9551","0.0004","12.6275","0.0007","8.7343","0.0004","90","","109.117","0.0018","90","","724.79","0.07","223","2","223","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","trans-Dibromido(1,4,8,11-tetraazacyclotetradecane)nickel(II)","","- C10 H24 Br2 N4 Ni -","- C10 H24 Br2 N4 Ni -","- C20 H48 Br4 N8 Ni2 -","2","0.5","","Ha, Kwang","Crystal structure of trans-dibromido(1,4,8,11-tetraazacyclotetradecane)nickel(II), C10H24Br2N4Ni","Zeitschrift für Kristallographie - New Crystal Structures","2017","232","1","153","154","10.1515/ncrs-2016-0205","","","0.71073","MoKα","","0.0318","0.0226","","","0.0413","0.0439","","","","","","1.1","","","","has coordinates","280331","2023-01-13","08:50:22",""
"8106466","8.0172","0.0004","13.1989","0.0007","13.8836","0.0008","90","","95.995","0.003","90","","1461.1","0.14","223","2","223","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","cis-Tetrabromidobis(pyridine-κ<i>N</i>)platinum(IV)","","- C10 H10 Br4 N2 Pt -","- C10 H10 Br4 N2 Pt -","- C40 H40 Br16 N8 Pt4 -","4","1","","Ha, Kwang","Crystal structure of cis-tetrabromidobis(pyridine-κN)platinum(IV), C10H10Br4N2Pt","Zeitschrift für Kristallographie - New Crystal Structures","2017","232","1","155","156","10.1515/ncrs-2016-0206","","","0.71073","MoKα","","0.0884","0.0477","","","0.1007","0.1189","","","","","","1.039","","","","has coordinates","280332","2023-01-13","08:53:27",""
"8106467","20.9691","0.0012","11.5316","0.0006","9.2546","0.0004","90","","95.484","0.004","90","","2227.6","0.2","296","2","296","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C23 H17 Cl F N5 S2 -","- C23 H17 Cl F N5 S2 -","- C92 H68 Cl4 F4 N20 S8 -","4","1","","El-Hiti, Gamal A.; Abdel-Wahab, Bakr F.; Baashen, Mohammed; Hegazy, Amany S.; Kariuki, Benson M.","Crystal structure of (E)-5-((4-chlorophenyl)diazenyl)-2-(5-(4-fluorophenyl)-3-(thiophen-2-yl)-4,5-dihydro-1H-pyrazol-1-yl)-4-methylthiazole, C23H17ClFN5S2","Zeitschrift für Kristallographie - New Crystal Structures","2017","232","1","157","158","10.1515/ncrs-2016-0208","","","0.71073","MoKα","","0.0767","0.0468","","","0.0951","0.1126","","","","","","1.031","","","","has coordinates,has disorder","280333","2023-01-13","08:55:52",""
"8106468","7.0057","0.0003","7.4317","0.0003","29.251","0.0013","90","","90","","90","","1522.93","0.11","110","0.1","110","0.2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","3-((1<i>R</i>,2<i>S</i>)-1-methylpyrrolidin-1-ium-2-yl)pyridin-1-ium tetrachloridocobaltate(II) monohydrate","","- C10 H18 Cl4 Co N2 O -","- C10 H18 Cl4 Co N2 O -","- C40 H72 Cl16 Co4 N8 O4 -","4","1","","Reiss, Guido J.; Sergeeva, Alena","The crystal structure of 3-((1R,2S)-1-methylpyrrolidin-1-ium-2-yl)pyridin-1-ium tetrachloridocobaltate(II) monohydrate, C10H18Cl4CoN2O","Zeitschrift für Kristallographie - New Crystal Structures","2017","232","1","159","161","10.1515/ncrs-2016-0245","","x-ray","0.71073","MoKα","","0.038","0.0356","","","0.0725","0.0737","","","","","","1.005","","","","has coordinates","280334","2023-01-13","08:58:46",""
"8106469","8.4669","0.0012","9.7245","0.0014","12.2425","0.0017","69.887","0.006","77.758","0.006","74.915","0.006","905.5","0.2","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","","","- C21 H16 Cl O3 P -","- C21 H16 Cl O3 P -","- C42 H32 Cl2 O6 P2 -","2","1","","Belay, Alebel N.; Venter, Johan A.; Roodt, Andreas","The crystal structure of triphenylphosphineoxide – 2,5-dichloro-3,6-dihydroxycyclohexa-2,5-diene-1,4-dione (2/1), C42H32Cl2O6P2","Zeitschrift für Kristallographie - New Crystal Structures","2017","232","2","163","164","10.1515/ncrs-2016-0064","","","0.71073","MoKα","","0.0312","0.0295","","","0.0833","0.085","","","","","","1.088","","","","has coordinates","280335","2023-01-13","09:02:25",""
"8106470","6.6874","0.001","6.0956","0.0009","30.281","0.004","90","","91.094","0.003","90","","1234.1","0.3","296","2","296","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C8 H3 Cl4 La O6 -","- C8 H3 Cl4 La O6 -","- C32 H12 Cl16 La4 O24 -","4","1","","Ma, Fa-Xue; Zhao, Dan; Zhang, Rui-Juan","Crystal structure of poly-[diaqua-[bis(μ2-hydroxy)-bis(μ4-3,4,5,6-tetrachlorophthalato-κ3O,O′:O′; κ2O′′:O′′′)dilanthanum(III)], C8H3Cl4LaO6","Zeitschrift für Kristallographie - New Crystal Structures","2017","232","2","165","166","10.1515/ncrs-2016-0154","","","0.71073","MoKα","","0.0933","0.0475","","","0.1006","0.1429","","","","","","0.978","","","","has coordinates","280365","2023-01-17","08:41:58",""
"8106471","10.2763","0.0008","19.9178","0.0015","11.8597","0.001","90","","92.828","0.003","90","","2424.5","0.3","293","2","293","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C32 H20 O2 S2 -","- C32 H20 O2 S2 -","- C128 H80 O8 S8 -","4","1","","Altamimi, Rashid; Ghabbour, Hazem A.; Aldawsari, Fahad; AlRuqi, Obaid S.; Alqahtani, Nasser","Crystal structure of 1,1′-(3,4-diphenylthieno[2,3-b]thiophene-2,5-diyl)bis[1-phenyl-methanone], C32H20O2S2","Zeitschrift für Kristallographie - New Crystal Structures","2017","232","2","167","169","10.1515/ncrs-2016-0165","","","0.71073","MoKα","","0.1225","0.0689","","","0.1588","0.1782","","","","","","1.043","","","","has coordinates","280366","2023-01-17","08:45:30",""
"8106472","14.323","0.003","7.6704","0.0017","17.112","0.004","90","","111.948","0.004","90","","1743.7","0.7","296","2","296","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C38 H36 Br4 O8 -","- C38 H36 Br4 O8 -","- C76 H72 Br8 O16 -","2","0.5","","Li, Jing; Zhou, Weiwei; Sui, Feng","Crystal structure of 4a-hydroxy-9-(3,5-dibromo-phenyl)-3,4,4a,5,6,7,9,9a-octahydro-2H-xanthene-1,8-dione, C19H18Br2O4","Zeitschrift für Kristallographie - New Crystal Structures","2017","232","2","171","172","10.1515/ncrs-2016-0174","","","0.71073","MoKα","","0.0852","0.053","","","0.114","0.1219","","","","","","1.059","","","","has coordinates","280367","2023-01-17","08:48:16",""
"8106473","14.4605","0.0004","9.9703","0.0004","22.7599","0.0007","90","","94.799","0.003","90","","3269.92","0.19","293.33","0.1","293.33","0.1","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C34 H49 N O5 S -","- C34 H49 N O5 S -","- C136 H196 N4 O20 S4 -","4","2","","Wang, Guirong; Zhao, Fengwu","Crystal structure of 5-hydroxy-4,6,9,10-tetramethyl-1-oxo-6-vinyldecahydro-3a,9-propanocyclopenta[8]annulen-8-yl 2-((2-methyl-1-(3-methylbenzamido)propan-2-yl)thio)acetate, C34H49NO5S","Zeitschrift für Kristallographie - New Crystal Structures","2017","232","2","173","176","10.1515/ncrs-2016-0175","","x-ray","0.71073","MoKα","","0.1208","0.0638","","","0.115","0.1482","","","","","","1.04","","","","has coordinates","280368","2023-01-17","08:51:15",""
"8106474","7.0868","0.0006","10.3522","0.0006","15.314","0.001","74.088","0.007","89.996","0.007","79.19","0.001","1059.71","0.13","298","2","298","2","","","","","","","","5","P -1","-P 1","2","","Pyridinium bis(naphthalane-2-,3-diolato)borate hydrate","","- C25 H20 B N O5 -","- C25 H20 B N O5 -","- C50 H40 B2 N2 O10 -","2","1","","Tombul, Mustafa; Güven, Kutalmış; Svoboda, Ingrid; Fuess, Hartmut","Crystal structure of pyridinium bis(naphthalane-2,3-diolato-κ2 O,O′)borate monohydrate, C25H20BNO5","Zeitschrift für Kristallographie - New Crystal Structures","2017","232","2","177","179","10.1515/ncrs-2016-0178","","","0.71073","MoKα","","0.0675","0.0445","","","0.0973","0.1105","","","","","","1.024","","","","has coordinates","280369","2023-01-17","08:53:56",""
"8106475","43.017","0.019","17.091","0.008","11.301","0.005","90","","103.053","0.008","90","","8094","6","296","2","296","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C72 H52 N4 Ni2 O8 -","- C72 H52 N4 Ni2 O8 -","- C432 H312 N24 Ni12 O48 -","6","0.75","","Li, Guo qiang; Fan, Run lan; He, Die er; Xu, Qiang","Crystal structure of 1,1′-((1E,1′E)-(((ethane-1,2-diylbis(oxy))bis(2,1-phenylene))bis(azanylylidene))bis(methanylylidene))bis(naphthalen-2-olato)nickel(II), C72H52N4O8Ni2","Zeitschrift für Kristallographie - New Crystal Structures","2017","232","2","181","183","10.1515/ncrs-2016-0182","","","0.71073","MoKα","","0.1135","0.0575","","","0.1152","0.1263","","","","","","1.005","","","","has coordinates","280370","2023-01-17","09:44:10",""
"8106476","12.5346","0.0005","23.4973","0.0009","12.9077","0.0005","90","","91.178","0.001","90","","3800.9","0.3","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C42 H49 B N2 O4 -","- C42 H49 B N2 O4 -","- C168 H196 B4 N8 O16 -","4","1","","Ghabbour, Hazem A.; Mostafa, Gamal A.E.","The crystal structure of 3-(2-acetyl-4-butyramido-phenoxy)-2-hydroxy-N-isopropylpropan-1-aminium tetraphenylborate, C42H49BN2O4","Zeitschrift für Kristallographie - New Crystal Structures","2017","232","2","185","187","10.1515/ncrs-2016-0183","","","0.71073","MoKα","","0.1476","0.0746","","","0.1764","0.2253","","","","","","1.032","","","","has coordinates","280371","2023-01-17","09:47:09",""
"8106477","10.4529","0.0008","11.8724","0.001","21.38","0.0019","90","","101.864","0.003","90","","2596.6","0.4","296","2","296","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C28 H34 Br N3 S -","- C28 H34 Br N3 S -","- C112 H136 Br4 N12 S4 -","4","1","","Al-Wahaibi, Lamya H.; Hassan, Hanan M.; Abo-Kamar, Amal M.; Ghabbour, Hazem A.; El-Emam, Ali A.","Crystal structure of 4-bromobenzyl (Z)-N′-(adamantan-1-yl)-4-phenylpiperazine-1-carbothioimidate, C28H34BrN3S","Zeitschrift für Kristallographie - New Crystal Structures","2017","232","2","189","191","10.1515/ncrs-2016-0184","","","0.71073","MoKα","","0.1332","0.0601","","","0.1233","0.1479","","","","","","1.031","","","","has coordinates","280372","2023-01-17","09:50:54",""
"8106478","7.3859","0.0013","9.5719","0.0017","16.442","0.003","77.45","0.003","85.065","0.003","84.844","0.003","1127.4","0.3","296","2","296.15","","","","","","","","","5","P -1","-P 1","2","","","","- C24 H16 Co2 N4 O8 -","- C24 H16 Co2 N4 O8 -","- C48 H32 Co4 N8 O16 -","2","1","","Liu, Ping; Liu, Qiuxia; Zhao, Ning; An, Caixia; Lian, Zhaoxun","Crystal structure of poly-[(μ6-benzene-1,2,4,5-tetracarboxylato)-(μ2-1,2-bis(imidazol-1-ylmethyl)benzene)dicobalt(II)], Co2C24H16N4O8","Zeitschrift für Kristallographie - New Crystal Structures","2017","232","2","193","195","10.1515/ncrs-2016-0185","","x-ray","0.71073","MoKα","","0.072","0.0457","","","0.0947","0.1058","","","","","","1.018","","","","has coordinates","280373","2023-01-17","09:54:43",""
"8106479","8.521","0.005","10.255","0.006","15.414","0.009","90","","91.209","0.009","90","","1346.6","1.4","296","2","296.15","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C28 H28 Cl2 N8 Ni -","- C28 H28 Cl2 N8 Ni -","- C56 H56 Cl4 N16 Ni2 -","2","0.5","","Liu, Ping; Liu, Qiuxia; Zhao, Ning; An, Caixia; Lian, Zhaoxun","Crystal structure of catena-(bis(μ2-1, 2-bis(imidazole-1-ylmethyl)benzene-κN:N′)-dichlororido-nickel(II)), C28H28Cl2N8Ni","Zeitschrift für Kristallographie - New Crystal Structures","2017","232","2","197","198","10.1515/ncrs-2016-0186","","x-ray","0.71073","MoKα","","0.0464","0.036","","","0.0916","0.0979","","","","","","1.054","","","","has coordinates","280374","2023-01-17","09:59:02",""
"8106480","11.223","0.002","11.9339","0.0015","11.945","0.002","90","","117.43","0.02","90","","1420","0.5","300","2","300","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C15 H16 N2 O3 -","- C15 H16 N2 O3 -","- C60 H64 N8 O12 -","4","1","","Radi, Smaail; Tighadouini, Said; Eddike, Driss; Tillard, Monique; Mabkhot, Yahia N.","Crystal structure of (Z)-1-(1,5-dimethyl-1H-pyrazol-3-yl)-3-hydroxy-3-(4-methoxyphenyl)prop-2-en-1-one, C15H16N2O3","Zeitschrift für Kristallographie - New Crystal Structures","2017","232","2","199","200","10.1515/ncrs-2016-0190","","","0.71073","MoKα","","0.0852","0.0528","","","0.1189","0.1346","","","","","","1.06","","","","has coordinates","280375","2023-01-17","10:03:01",""
"8106481","5.6736","0.0002","7.7803","0.0004","28.7821","0.0013","90","","90","","90","","1270.51","0.1","298","2","298","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C14 H14 N2 O2 -","- C14 H14 N2 O2 -","- C56 H56 N8 O8 -","4","1","","Smaail, Radi; Tighadouini, Said; Eddike, Driss; Tillard, Monique; Mabkhot, Yahia N.","Crystal structure of (Z)-1-(1,5-dimethyl-1H-pyrazol-3-yl)-3-hydroxy-3-phenylprop-2-en-1-one, C14H14N2O2","Zeitschrift für Kristallographie - New Crystal Structures","2017","232","2","201","202","10.1515/ncrs-2016-0194","","","0.71073","MoKα","","0.0925","0.0454","","","0.076","0.0879","","","","","","0.965","","","","has coordinates","280376","2023-01-17","10:07:35",""
"8106482","21.1472","0.0008","9.7978","0.0004","14.5181","0.0006","90","","90","","90","","3008.1","0.2","100","2","100","2","","","","","","","","3","P b c n","-P 2n 2ab","60","","","","- C19 H18 O4 -","- C19 H18 O4 -","- C152 H144 O32 -","8","1","","El-Sayed, Nahed N.E.; Almaneai, Norah M.; Ghabbour, Hazem A.; Alafeefy, Ahmed M.","Crystal structure of (E)-2-(4-hydroxy-3-methoxybenzylidene)-6-methoxy-3,4-dihydronaphthalen-1(2H)-one, C19H18O4","Zeitschrift für Kristallographie - New Crystal Structures","2017","232","2","203","205","10.1515/ncrs-2016-0195","","","0.71073","MoKα","","0.0871","0.052","","","0.1045","0.1194","","","","","","1.037","","","","has coordinates","280377","2023-01-17","10:10:49",""
"8106483","14.3074","0.0016","8.5321","0.0012","12.2534","0.0019","90","","90","","90","","1495.8","0.4","302","2","302","2","","","","","","","","4","P c a 21","P 2c -2ac","29","","","","- C16 H18 N2 O3 -","- C16 H18 N2 O3 -","- C64 H72 N8 O12 -","4","1","","Radi, Smaail; Tighadouini, Said; Eddike, Driss; Tillard, Monique; Mabkhot, Yahia N.","Crystal structure of (Z)-1-(1,5-dimethyl-1H-pyrazol-3-yl)-3-(4-ethoxyphenyl)-3-hydroxyprop-2-en-1-one, C16H18N2O3","Zeitschrift für Kristallographie - New Crystal Structures","2017","232","2","207","208","10.1515/ncrs-2016-0196","","","0.71073","MoKα","","0.1237","0.0594","","","0.1108","0.1266","","","","","","0.979","","","","has coordinates","280378","2023-01-17","10:13:03",""
"8106484","10.8334","0.0005","11.7225","0.0005","12.6861","0.0006","90","","123.417","0.005","90","","1344.73","0.13","297","2","297","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","Crystal structure of (Z)-1-(1,5-dimethyl-1H-pyrazol-3-yl)-3-hydroxy -3-(p-toly)prop-2-en-1-one","","- C15 H16 N2 O2 -","- C15 H16 N2 O2 -","- C60 H64 N8 O8 -","4","1","","Radi, Smaail; Tighadouini, Said; Eddike, Driss; Tillard, Monique; Mabkhot, Yahia N.","Crystal structure of (Z)-1-(1,5-dimethyl-1H-pyrazol-3-yl)-3-hydroxy-3-(p-toly)prop-2-en-1-one, C15H16N2O2","Zeitschrift für Kristallographie - New Crystal Structures","2017","232","2","209","210","10.1515/ncrs-2016-0199","","","0.71073","MoKα","","0.0819","0.0607","","","0.1533","0.1662","","","","","","1.059","","","","has coordinates","280379","2023-01-17","10:15:48",""
"8106485","13.3888","0.0015","9.6869","0.001","13.7238","0.0017","90","","96.445","0.012","90","","1768.7","0.3","180.01","0.1","180.01","0.1","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C20 H21 Cl N2 O -","- C20 H21 Cl N2 O -","- C80 H84 Cl4 N8 O4 -","4","1","","Zhang, Kai-Xin; Dong, Meng-Ya; Mei, Xiang-Dong; Li, Yao-Fa; Zhang, Tao; She, Dong-Mei; Pan, Wen-Liang; Gao, Zhan-Lin; Ning, Jun","Crystal structure of 1-acetyl-3-(3-chlorophenyl)-5-(4-isopropylphenyl)-4,5-dihydro-(1H)-pyrazole, C20H21ClN2O","Zeitschrift für Kristallographie - New Crystal Structures","2017","232","2","211","212","10.1515/ncrs-2016-0207","","","0.71073","MoKα","","0.0954","0.0497","","","0.0911","0.1153","","","","","","1.043","","","","has coordinates","280380","2023-01-17","10:18:32",""
"8106486","9.9513","0.0006","11.3365","0.0004","14.3295","0.0012","90","","90","","90","","1616.55","0.18","105.3","","105.3","","","","","","","","","5","P b c a","-P 2ac 2ab","61","1-methyl-2,4-dinitro-5-iodoimidzole","1-methyl-2,4-dinitro-5-iodoimidzole","","- C4 H3 I N4 O4 -","- C4 H3 I N4 O4 -","- C32 H24 I8 N32 O32 -","8","1","","Lizhen, Chen; Pengbao, Lian; Jianlong, Wang","The crystal structure of 1-methyl-2,4-dinitro-5-iodoimidazole, C4H3IN4O4","Zeitschrift für Kristallographie - New Crystal Structures","2017","232","2","213","214","10.1515/ncrs-2016-0209","","","0.7107","MoKα","","0.0306","0.0279","","","0.0667","0.0684","","","","","","1.105","","","","has coordinates","280381","2023-01-17","10:20:26",""
"8106487","14.1945","0.0007","8.1107","0.0003","15.3834","0.0006","90","","115.472","0.006","90","","1598.9","0.14","105.6","","105.6","","","","","","","","","5","C 1 c 1","C -2yc","9","4-chloro-3,5-dinitroaniline","4-chloro-3,5-dinitroaniline","","- C6 H4 Cl N3 O4 -","- C6 H4 Cl N3 O4 -","- C48 H32 Cl8 N24 O32 -","8","2","","Jianlong, Wang; Tianbei, Zhang; Lizhen, Chen","The crystal structure of 4-chloro-3,5-dinitroaniline, C6H4ClN3O4","Zeitschrift für Kristallographie - New Crystal Structures","2017","232","2","215","216","10.1515/ncrs-2016-0210","","","0.7107","MoKα","","0.0277","0.0269","","","0.0664","0.0669","","","","","","1.059","","","","has coordinates","280382","2023-01-17","10:23:29",""
"8106488","15.479","0.004","13.203","0.003","7.3147","0.0017","90","","99.385","0.007","90","","1474.9","0.6","296","2","296","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C14 H18 N4 O S -","- C14 H18 N4 O S -","- C56 H72 N16 O4 S4 -","4","1","","Al-Jaeed, Nada; Lahsasni, Siham; Ghabbour, Hazem A.; El-Sayed, Nahed N. E.","Crystal structure of N,N-dimethyl-N′-(2-methyl-4-oxo-5,6,7,8-tetrahydrobenzo[4,5]thieno[2,3-d]pyrimidin-3(4H)-yl)formimidamide, C14H18N4OS","Zeitschrift für Kristallographie - New Crystal Structures","2017","232","2","217","219","10.1515/ncrs-2016-0212","","","0.71073","MoKα","","0.0973","0.0704","","","0.1823","0.1968","","","","","","1.127","","","","has coordinates","280383","2023-01-17","10:25:32",""
"8106489","9.115","0.003","12.769","0.004","14.87","0.005","93.796","0.005","93.548","0.005","91.917","0.005","1722.4","1","298","2","298","2","","","","","","","","6","P -1","-P 1","2","","","","- C28 H32 Cl2 Cu4 N4 O11 -","- C28 H32 Cl2 Cu4 N4 O11 -","- C56 H64 Cl4 Cu8 N8 O22 -","2","1","","Ma, Ling; An, Daoli; Lu, Liping","Crystal structure of tetrakis(μ2-acetato-κ2 O:O′)-bis[μ3-4-chloro-2,6-bis((methylimino)methyl)phenolato-κ2 N,O:O,N′]-(μ4-oxido)tetracopper(II), C28H32Cl2Cu4N4O11","Zeitschrift für Kristallographie - New Crystal Structures","2017","232","2","221","223","10.1515/ncrs-2016-0213","","","0.71073","MoKα","","0.0377","0.0303","","","0.0779","0.0819","","","","","","1.034","","","","has coordinates","280430","2023-01-19","08:18:42",""
"8106490","7.3118","0.0007","10.0597","0.0008","11.2579","0.001","92.109","0.007","105.804","0.007","98.416","0.007","785.63","0.12","173","2","173","2","","","","","","","","5","P -1","-P 1","2","","","","- C28 H28 Cu N6 O16 -","- C28 H28 Cu N6 O16 -","- C28 H28 Cu N6 O16 -","1","0.5","","Brito, Iván; Cárdenas, Alejandro; Bolte, Michael; Llanos, Jaime","Crystal structure of catena-poly[diaqua-bis(μ2-ethane-1,2-diyl-bis(pyridine-3-carboxylate-κ2 N:N′))copper(II)] dinitrate, C28H28CuN6O16","Zeitschrift für Kristallographie - New Crystal Structures","2017","232","2","225","226","10.1515/ncrs-2016-0215","","","0.71073","MoKα","","0.0601","0.0419","","","0.0905","0.0954","","","","","","0.936","","","","has coordinates,has disorder","280431","2023-01-19","08:27:27",""
"8106491","7.7446","0.0017","16.914","0.003","17.726","0.003","72.451","0.006","86.9","0.006","88.098","0.007","2210.3","0.7","153","2","153","2","","","","","","","","5","P -1","-P 1","2","","","","- C22 H18 N7 O5 Pb -","- C22 H18 N7 O5 Pb -","- C88 H72 N28 O20 Pb4 -","4","2","","Jia, Yan-hui; Huang, Fang-Fang; Peng, Mei-Hong; Nie, Feng-Mei","Synthesis and crystal structure of catena-poly[(μ2-nicotinato-κ2 O,O′: κ1 N)-(nitrato-κ1 O)-(bis(2-benzimidazol-ylmethyl)amine-κ3 N,N′,N′′)lead(II)], C22H18N7O5Pb","Zeitschrift für Kristallographie - New Crystal Structures","2017","232","2","227","229","10.1515/ncrs-2016-0217","","","0.71073","MoKα","","0.0547","0.0379","","","0.0711","0.0751","","","","","","1.002","","","","has coordinates","280432","2023-01-19","08:32:43",""
"8106492","9.0959","0.0005","9.1993","0.0005","18.5825","0.0009","100.534","0.004","94.12","0.004","94.752","0.004","1517.43","0.14","100","0.1","100","0.1","","","","","","","","4","P -1","-P 1","2","","","","- C16 H20 N4 O2 -","- C16 H20 N4 O2 -","- C64 H80 N16 O8 -","4","2","","Tzvetkov, Nikolay T.; Neumann, Beate; Stammler, Hans-Georg","The twinned crystal structure of (4SR)-7-benzyl-2,4,8,8-tetramethyl-7,8-dihydroimidazo[5,1-c][1,2,4]triazine-3,6(2H,4H)-dione, C16H20N4O2","Zeitschrift für Kristallographie - New Crystal Structures","2017","232","2","231","233","10.1515/ncrs-2016-0218","","x-ray","1.54184","CuKα","","0.0854","0.0801","","","0.2299","0.2371","","","","","","1.041","","","","has coordinates","280433","2023-01-19","08:35:38",""
"8106493","3.923","0.0003","26.578","0.002","11.7147","0.0012","90","","94.028","0.008","90","","1218.42","0.18","173","2","173","2","","","","","","","","4","C 1 c 1","C -2yc","9","","(<i>Z</i>)-3-hydroxy-3-(4-methoxyphenyl)-1-(pyridin-2-yl)prop-2-en-1-one","","- C15 H13 N O3 -","- C15 H13 N O3 -","- C60 H52 N4 O12 -","4","1","","Radi, Smaail; Tighadouini, Said; Eddike, Driss; Mabkhot, Yahia N.; Tillard, Monique","Crystal structure of (Z)-3-hydroxy-3-(4-methoxyphenyl)-1-(pyridin-2-yl)prop-2-en-1-one, C15H13NO3","Zeitschrift für Kristallographie - New Crystal Structures","2017","232","2","235","236","10.1515/ncrs-2016-0219","","","0.71073","MoKα","","0.0453","0.0387","","","0.0823","0.0877","","","","","","1.054","","","","has coordinates","280434","2023-01-19","08:40:11",""
"8106494","6.0741","0.0004","14.9623","0.0008","16.2178","0.0009","90","","90","","90","","1473.91","0.15","293","2","293","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C16 H12 Cl2 N2 O2 -","- C16 H12 Cl2 N2 O2 -","- C64 H48 Cl8 N8 O8 -","4","1","","He, Jing","Crystal structure of 2-amino-4-(2,3-dichlorophenyl)-5-oxo-5,6,7,8-tetrahydro-4H-chromene-3-carbonitrile, C16H12Cl2N2O2","Zeitschrift für Kristallographie - New Crystal Structures","2017","232","2","237","238","10.1515/ncrs-2016-0221","","","0.71073","MoKα","","0.0477","0.0376","","","0.0828","0.0918","","","","","","1.025","","","","has coordinates","280435","2023-01-19","08:44:36",""
"8106495","17.416","0.002","13.1378","0.0014","7.8246","0.001","90","","96.566","0.01","90","","1778.6","0.4","173","2","173","2","","","","","","","","7","C 1 2/c 1","-C 2yc","15","","","","- C16 H16 Ag B F4 N2 O4 -","- C16 H16 Ag B F4 N2 O4 -","- C64 H64 Ag4 B4 F16 N8 O16 -","4","0.5","","Brito, Iván; Cárdenas, Alejandro; Bolte, Michael; Llanos, Jaime; Cataldo, Fernando","Crystal structure of catena-poly[(μ2-butane-1,4-diyl-bis(pyridine-3-carboxylato-κN))silver(I)] tetrafluoroborate, C16H16AgN2O4BF4","Zeitschrift für Kristallographie - New Crystal Structures","2017","232","2","239","240","10.1515/ncrs-2016-0222","","","0.71073","MoKα","","0.0255","0.0246","","","0.0639","0.0645","","","","","","1.116","","","","has coordinates,has disorder","280436","2023-01-19","08:47:27",""
"8106496","9.7971","0.0009","9.9998","0.0009","12.2287","0.0012","109.559","0.001","92.598","0.002","95.385","0.002","1120.15","0.18","296","2","296","2","","","","","","","","5","P -1","-P 1","2","","Crystal structure of poly[diaqua di(1,10-phenanthroline-κ^2^<i>N</i>,<i>N</i>') (μ~2~-2,5-dihydroxyterephthalato)(di-μ~4~-2,5-dihydroxyterephthalato) dicerium(III)]","","- C24 H16 Ce N2 O10 -","- C24 H16 Ce N2 O10 -","- C48 H32 Ce2 N4 O20 -","2","1","","Zhao, Li-Ting; Wei, Ya-Nan; Li, Chuan-Bi; Song, Xian-Shi; Li, Jia-Run","Crystal structure of poly[diaqua-(1,10-phenanthroline-κ2 N,N′)-(μ2-2,5-dihydroxytere-phthalato)-bis(μ4-2,5-dihydroxyterephthalato)dicerium(III)], C24H16CeN2O10","Zeitschrift für Kristallographie - New Crystal Structures","2017","232","2","241","243","10.1515/ncrs-2016-0223","","","0.71073","MoKα","","0.0399","0.0346","","","0.0871","0.0909","","","","","","1.021","","","","has coordinates","280437","2023-01-19","08:51:06",""
"8106497","7.9253","0.0003","16.8928","0.0006","11.8439","0.0005","90","","92.387","0.002","90","","1584.29","0.11","295","2","295","2","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","","","- C18 H16 O8 -","- C18 H16 O8 -","- C72 H64 O32 -","4","1","","Brito, Iván; Simirgiotis, Mario L.; Pasten, Leyla; Muñoz, Rubén; Bórquez, Jorge; Cárdenas, Alejandro","Crystal structure of 5,7,4′-trihydroxy-3,8,3′-trymethoxyflavone, C18H16O8","Zeitschrift für Kristallographie - New Crystal Structures","2017","232","2","245","247","10.1515/ncrs-2016-0224","","","1.54178","CuKα","","0.082","0.0427","","","0.0875","0.1017","","","","","","1.034","","","","has coordinates","280438","2023-01-19","08:55:40",""
"8106498","6.1494","0.0003","14.4196","0.0005","14.2686","0.0008","90","","97.055","0.005","90","","1255.64","0.1","293","2","293","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C14 H11 Cl2 N -","- C14 H11 Cl2 N -","- C56 H44 Cl8 N4 -","4","1","","Yuan, Hua; Chen, Chunni; Wang, Linyan","Crystal structure of N-(3,4-dichlorobenzylidene)-4-methylaniline, C14H11Cl2N","Zeitschrift für Kristallographie - New Crystal Structures","2017","232","2","249","250","10.1515/ncrs-2016-0225","","","0.71073","MoKα","","0.0443","0.0347","","","0.0848","0.0894","","","","","","1.067","","","","has coordinates","280439","2023-01-19","08:58:51",""
"8106499","7.468","0.003","9.442","0.003","14.134","0.005","82.725","0.005","84.077","0.005","72.585","0.005","941","0.6","296","2","296","2","","","","","","","","4","P -1","-P 1","2","","","","- C22 H27 N O4 -","- C22 H27 N O4 -","- C44 H54 N2 O8 -","2","1","","Li, Jiangtao","Crystal structure of 4-(3-Methoxy-phenyl)-2,7,7-trimethyl-5-oxo-1,4,5,6,7,8-hexahydro-quinoline-3-carboxylic acid ethyl ester, C22H27NO4","Zeitschrift für Kristallographie - New Crystal Structures","2017","232","2","251","252","10.1515/ncrs-2016-0226","","","0.71073","MoKα","","0.0815","0.0727","","","0.1749","0.1796","","","","","","1.072","","","","has coordinates","280456","2023-01-20","09:29:17",""
"8106500","8.7809","0.0006","8.7912","0.0006","10.017","0.0007","72.048","0.007","74.395","0.006","75.377","0.006","696.26","0.09","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C16 H13 F N2 O2 -","- C16 H13 F N2 O2 -","- C32 H26 F2 N4 O4 -","2","1","","Zhai, Yunhui; Song, Ruijuan","Crystal structure of 2-amino-4-(3-fluorophenyl)-5-oxo-5,6,7,8-tetrahydro-4H-chromene-3-carbonitrile, C16H13FN2O2","Zeitschrift für Kristallographie - New Crystal Structures","2017","232","2","253","254","10.1515/ncrs-2016-0227","","","0.71073","MoKα","","0.0615","0.0457","","","0.1397","0.1594","","","","","","1.042","","","","has coordinates","280457","2023-01-20","09:33:15",""
"8106501","8.1199","0.0006","10.443","0.0008","15.4252","0.0013","90","","96.309","0.003","90","","1300.08","0.18","100","2","100","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C10 H6 Br2 O4 S2 -","- C10 H6 Br2 O4 S2 -","- C40 H24 Br8 O16 S8 -","4","1","","Mabkhot, Yahia N.; Al-aizari, Faiz A.; Al-Showiman, Salim; Barakat, Assem; Ghabbour, Hazem A.; Frey, Wolfgang","Crystal structure of 1,1,(3,4-dihydroxythieno[2,3-b] thiophene-2,5-diyl)bis(2-bromoethanone), C10H6Br2O4S2","Zeitschrift für Kristallographie - New Crystal Structures","2017","232","2","255","256","10.1515/ncrs-2016-0228","","","0.71073","MoKα","","0.0748","0.0549","","","0.1242","0.1304","","","","","","1.047","","","","has coordinates,has disorder","280458","2023-01-20","09:36:16",""
"8106502","18.9759","0.0019","14.0764","0.0013","19.2072","0.0019","90","","116.836","0.007","90","","4577.9","0.8","173","2","173","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C24 H24 N4 O6 -","- C24 H24 N4 O6 -","- C192 H192 N32 O48 -","8","2","","Brito, Iván; Cárdenas, Alejandro; Bolte, Michael","The crystal structure of N,N′-(4,4′-oxydibenzyl)-bisisonicotinamide 3.5 hydrate, C24H24N4O6","Zeitschrift für Kristallographie - New Crystal Structures","2017","232","2","257","259","10.1515/ncrs-2016-0230","","","0.71073","MoKα","","0.1437","0.0773","","","0.182","0.206","","","","","","1.056","","","","has coordinates","280459","2023-01-20","09:44:17",""
"8106503","11.4564","0.0007","21.1547","0.0015","21.3475","0.0013","90","","95.192","0.005","90","","5152.5","0.6","293","2","293","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C48 H42 Cd3 Cl6 N18 -","- C48 H42 Cd3 Cl6 N18 -","- C192 H168 Cd12 Cl24 N72 -","4","0.5","","Xin-Hong, Chang; Shi-Hui, Li; De-Guang, Du","Crystal structure of catena-poly[hexakis(μ2-chlorido)-hexakis(4-(1H-pyrazol-5-yl)pyridine-κN)tricadmium(II)], Cd3C48H42Cl6N18","Zeitschrift für Kristallographie - New Crystal Structures","2017","232","2","261","263","10.1515/ncrs-2016-0231","","","0.71073","MoKα","","0.1084","0.0381","","","0.0862","0.1154","","","","","","0.976","","","","has coordinates","280460","2023-01-20","09:47:29",""
"8106504","21.829","0.007","10.741","0.003","17.564","0.005","90","","109.446","0.003","90","","3883","2","296","2","296.15","","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C21 H22 I N3 -","- C21 H22 I N3 -","- C168 H176 I8 N24 -","8","1","","Yuan, Xian-You; Zhang, Min; Li, Zhong-Yan; Yuan, Lin","Crystal structure of 2-(4-(dimethylamino)phenyl)-1,3-dimethyl-1H-perimidin-3-ium iodide, C21H22I1N3","Zeitschrift für Kristallographie - New Crystal Structures","2017","232","2","265","266","10.1515/ncrs-2016-0232","","","0.71073","MoKα","","0.0334","0.026","","","0.0632","0.0687","","","","","","1.024","","","","has coordinates","280461","2023-01-20","09:49:56",""
"8106505","11.371","0.011","12.144","0.012","11.718","0.011","90","","90","","90","","1618","3","296","2","296.15","","","","","","","","","3","P n m a","-P 2ac 2n","62","","","","- C20 H17 N3 -","- C20 H17 N3 -","- C80 H68 N12 -","4","0.5","","Zhang, Min; Yuan, Lin; Yuan, Xian-You; Li, Zhong-Yan","Crystal structure of 4-(1,3-dimethyl-2,3-dihydro-1H-perimidin-2-yl)benzonitrile, C20H17N3","Zeitschrift für Kristallographie - New Crystal Structures","2017","232","2","267","268","10.1515/ncrs-2016-0233","","","0.71073","MoKα","","0.0563","0.0443","","","0.1238","0.1373","","","","","","1.08","","","","has coordinates","280462","2023-01-20","09:52:47",""
"8106506","10.4668","0.0012","10.1315","0.0012","14.9315","0.0017","90","","94.608","0.005","90","","1578.3","0.3","296","2","296","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C12 H12 Cu N4 O6 S -","- C12 H12 Cu N4 O6 S -","- C48 H48 Cu4 N16 O24 S4 -","4","1","","Qiang, Hong; Xiao, Guo-Wei; Sun, Xin-Zhan","Crystal structure of tetrakis(μ2-acetato-κ2 O:O′)-bis(2,2′-sulfonyldipyrazine-κ1 N)dicopper(II), C24H24Cu2N8O12S2","Zeitschrift für Kristallographie - New Crystal Structures","2017","232","2","269","270","10.1515/ncrs-2016-0234","","","0.71073","MoKα","","0.0318","0.0268","","","0.0765","0.0796","","","","","","1.063","","","","has coordinates","280463","2023-01-20","09:55:33",""
"8106507","5.9519","0.0002","8.0511","0.0003","43.4071","0.0014","90","","90.001","0.002","90","","2080.04","0.12","173","2","173","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C28 H18 Cl N3 -","- C28 H18 Cl N3 -","- C112 H72 Cl4 N12 -","4","1","","Maluleka, Marole M.; Mphahlele, Malose J.","Crystal structure of 1-(4-chlorophenyl)-6,8-diphenyl-1H-pyrazolo[4,3-c]quinoline, C28H18ClN3","Zeitschrift für Kristallographie - New Crystal Structures","2017","232","2","271","272","10.1515/ncrs-2016-0235","","","0.71073","MoKα","","0.0784","0.0659","","","0.1794","0.1904","","","","","","0.84","","","","has coordinates","280464","2023-01-20","09:58:07",""
"8106508","5.8731","0.0006","12.4675","0.001","28.912","0.003","90","","90.271","0.007","90","","2117","0.4","293.23","0.1","293.23","0.1","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C24 H21 N3 O5 -","- C24 H21 N3 O5 -","- C96 H84 N12 O20 -","4","1","","Tan, Xiaoli; Hong, Wei; Wang, Meiyi; Wang, Hao","Crystal structure of methyl 3-((1-(2-(methoxycarbonyl)benzyl)-1H-1,2,3-triazol-4-yl)methoxy)-2-naphthoate, C24H21N3O5","Zeitschrift für Kristallographie - New Crystal Structures","2017","232","2","273","274","10.1515/ncrs-2016-0236","","x-ray","0.71073","MoKα","","0.197","0.0797","","","0.1224","0.1733","","","","","","1.044","","","","has coordinates","280465","2023-01-20","10:00:30",""
"8106509","16.302","0.003","11.324","0.002","14.636","0.003","90","","111.43","0.03","90","","2515.1","1","123","2","123","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C25 H22 Cl2 N4 O5 Zn -","- C25 H22 Cl2 N4 O5 Zn -","- C100 H88 Cl8 N16 O20 Zn4 -","4","1","","Yun, Zhao; Lu, Xu; Li-Fang, Zhang","Crystal structure of (tris(2-pyridylmethyl)amine-κ4 N,N′,N′′,N′′′′)-chloranilato-κO,O′-zinc(II) – methanol (1/1), C25H22Cl2N4O5Zn","Zeitschrift für Kristallographie - New Crystal Structures","2017","232","2","275","277","10.1515/ncrs-2016-0237","","","0.71073","MoKα","","0.0596","0.0511","","","0.107","0.1109","","","","","","1.093","","","","has coordinates","280466","2023-01-20","10:04:32",""
"8106510","14.9185","0.0012","7.7243","0.0006","9.2229","0.0005","90","","91.032","0.006","90","","1062.63","0.13","293","2","293","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C10 H14 N2 O2 -","- C10 H14 N2 O2 -","- C40 H56 N8 O8 -","4","1","","El-Hiti, Gamal A.; Smith, Keith; Alshammari, Mohammed B.; Hegazy, Amany S.; Kariuki, Benson M.","Crystal structure of 1,1-dimethyl-3-(4-methoxyphenyl)urea, C10H14N2O2","Zeitschrift für Kristallographie - New Crystal Structures","2017","232","2","279","281","10.1515/ncrs-2016-0238","","","0.71073","MoKα","","0.1022","0.0605","","","0.1325","0.159","","","","","","1.015","","","","has coordinates","280467","2023-01-20","10:09:12",""
"8106511","7.009","0.003","8.081","0.003","15.218","0.008","101.973","0.009","99.137","0.01","102.164","0.007","805.6","0.6","296","2","296","2","","","","","","","","4","P -1","-P 1","2","","","","- C19 H19 N O6 -","- C19 H19 N O6 -","- C38 H38 N2 O12 -","2","1","","Li, Jiangtao","Crystal structure of 4a-Hydroxy-9-(2-nitro-phenyl)-3,4,4a,5,6,7,9,9a-octahydro-2H-xanthene-1,8-dione, C19H19NO6","Zeitschrift für Kristallographie - New Crystal Structures","2017","232","2","283","284","10.1515/ncrs-2016-0240","","","0.71073","MoKα","","0.0664","0.052","","","0.1215","0.1271","","","","","","1.088","","","","has coordinates","280468","2023-01-20","10:11:44",""
"8106512","8.995","0.0006","11.1669","0.0008","12.4128","0.0009","80.52","0.002","87.536","0.001","86.32","0.001","1226.59","0.15","173","2","173","2","","","","","","","","7","P -1","-P 1","2","","","","- C23 H26 Cl F6 N2 P Ru -","- C23 H26 Cl F6 N2 P Ru -","- C46 H52 Cl2 F12 N4 P2 Ru2 -","2","1","","Gichumbi, Joel M.; Friedrich, Holger B.; Omondi, Bernard","Crystal structure of chlorido-(η6–1-isopropyl-4-methyl benzene)-(1-(pyridin-2-yl)-N-(p-tolyl)methanimine-κ2 N,N′)ruthenium(II) hexafluorophosphate(V), C23H26ClF6N2PRu","Zeitschrift für Kristallographie - New Crystal Structures","2017","232","2","285","287","10.1515/ncrs-2016-0241","","x-ray","0.71073","MoKα","","0.0325","0.0267","","","0.0597","0.0622","","","","","","1.029","","","","has coordinates","280469","2023-01-20","10:14:05",""
"8106513","5.9227","0.0007","16.462","0.002","18.15","0.002","90","","98.372","0.002","90","","1750.8","0.4","100","2","100","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","phenyl(2-phenyl-2,3-dihydro-1H-perimidin-2-yl)methanone","","- C24 H18 N2 O -","- C24 H18 N2 O -","- C96 H72 N8 O4 -","4","1","","Grimmer, Craig D.","Crystal structure of phenyl(2-phenyl-2,3-dihydro-1H-perimidin-2-yl)methanone, C24H18N2O","Zeitschrift für Kristallographie - New Crystal Structures","2017","232","2","289","290","10.1515/ncrs-2016-0242","","","0.71073","MoKα","","0.0406","0.0353","","","0.0892","0.0942","","","","","","1.0623","","","","has coordinates","280470","2023-01-20","10:22:16",""
"8106514","8.2785","0.0012","12.175","0.0018","13.8122","0.0016","114.401","0.013","103.083","0.011","93.384","0.012","1216.5","0.3","293","2","293","2","","","","","","","","4","P -1","-P 1","2","","<i>(E</i>)-3-Methyl-4-((3-(5-methyl-1-phenyl-1<i>H</i>-1,2,3-triazol-4-yl)-1-\ phenyl-1<i>H</i>-pyrazol-4-yl)methylene)-1-phenyl-1<i>H</i>-pyrazol-\ 5(4<i>H</i>)-one","","- C29 H23 N7 O -","- C29 H23 N7 O -","- C58 H46 N14 O2 -","2","1","","El-Hiti, Gamal A.; Abdel-Wahab, Bakr F.; Alshammari, Mohammed B.; Hegazy, Amany S.; Kariuki, Benson M.","Crystal structure of (E)-3-methyl-4-((3-(5-methyl-1-phenyl-1H-1,2,3-triazol-4-yl)-1-phenyl-1H-pyrazol-4-yl)methylene)-1-phenyl-1H-pyrazol-5(4H)-one, C29H23N7O","Zeitschrift für Kristallographie - New Crystal Structures","2017","232","2","291","293","10.1515/ncrs-2016-0243","","","0.71073","MoKα","","0.1661","0.0713","","","0.1416","0.188","","","","","","1.008","","","","has coordinates","280487","2023-01-21","08:19:41",""
"8106515","17.7267","0.0007","10.5415","0.0005","14.1637","0.0004","90","","91.644","0.003","90","","2645.62","0.18","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C27 H34 N4 O3 S2 -","- C27 H34 N4 O3 S2 -","- C108 H136 N16 O12 S8 -","4","1","","Liu, Ya-Tong; Kang, Lei; Li, Na-Na; Xing, Zhi-Yong","Crystal structure of 2-(4-(2-butyl-1,3-dioxo-2,3-dihydro-1H-benzo[de]isoquinolin-6-yl)piperazin-1-yl)-2-oxoethyldiethylcarbamodithioate, C27H34N4O3S2","Zeitschrift für Kristallographie - New Crystal Structures","2017","232","2","295","296","10.1515/ncrs-2016-0244","","","0.71073","MoKα","","0.0931","0.062","","","0.1716","0.2008","","","","","","1.006","","","","has coordinates","280488","2023-01-21","08:22:45",""
"8106516","17.447","0.006","11.467","0.004","22.691","0.004","90","","108.314","0.005","90","","4310","2","296","2","296","2","","","","","","","","7","C 1 2/c 1","-C 2yc","15","","","","- C42 H40 Cl2 Co N6 O10 S2 -","- C42 H40 Cl2 Co N6 O10 S2 -","- C168 H160 Cl8 Co4 N24 O40 S8 -","4","0.5","","Liu, Zheng-Jun; Chen, Xiao-Miao; Deng, Tao-Li","Crystal structure of poly-[diaqua-bis(μ-4,4′-bipyridine-κ2 N:N′)cobalt(II)] bis(4-chlorobenzenesulfonate) – 4,4′-bipyridine – water (1/1/2), C42H40Cl2CoN6O10S2","Zeitschrift für Kristallographie - New Crystal Structures","2017","232","2","297","299","10.1515/ncrs-2016-0248","","","0.71073","MoKα","","0.0453","0.0341","","","0.0862","0.0921","","","","","","1.009","","","","has coordinates","280489","2023-01-21","08:25:31",""
"8106517","8.7921","0.0002","11.2515","0.0003","11.7014","0.0003","103.752","0.001","107.296","0.001","98.562","0.001","1043.01","0.05","173","2","173","2","","","","","","","","6","P -1","-P 1","2","","","","- C20 H22 Cl2 N2 O5 Ru -","- C20 H22 Cl2 N2 O5 Ru -","- C40 H44 Cl4 N4 O10 Ru2 -","2","1","","Gichumbi, Joel M.; Omondi, Bernard; Friedrich, Holger B.","Crystal structure of (η 6-benzene)-(N-(2,6-dimethylphenyl)-1-(pyridin-2-yl)methanimine-κ2 N,N′)ruthenium(II) perchlorate monohydrate, C20H20Cl2N2O5Ru","Zeitschrift für Kristallographie - New Crystal Structures","2017","232","2","301","303","10.1515/ncrs-2016-0251","","x-ray","0.71073","MoKα","","0.0203","0.0198","","","0.0545","0.0553","","","","","","1.146","","","","has coordinates","280490","2023-01-21","08:28:04",""
"8106518","13.3619","0.0004","13.9234","0.0004","16.6975","0.0005","96.023","0.002","104.537","0.001","105.625","0.001","2845.85","0.15","100","2","100","2","","","","","","","","3","P -1","-P 1","2","tetraethylphenylresorcin[4]arene","","","- C68 H72 O10 -","- C68 H72 O10 -","- C136 H144 O20 -","2","1","","Samipillai, Marivel; Govender, Thavendran; Kruger, Hendrik G.; Maguire, Glenn E. M.","Crystal structure of 4,10,16,22-tetrahydroxy-6,12,18,24-tetramethoxy-2,8,14,20-tetraethylphenylresorcin[4]arene – ethyl acetate (1/1), C68H72O10","Zeitschrift für Kristallographie - New Crystal Structures","2017","232","2","305","307","10.1515/ncrs-2016-0253","","","0.71073","MoKα","","0.0794","0.0491","","","0.1137","0.1271","","","","","","1.023","","","","has coordinates,has disorder","280491","2023-01-21","08:31:05",""
"8106519","15.067","0.005","10.409","0.005","16.503","0.005","90","0.005","112.74","","90","","2387","1.6","173","2","173","2","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C22 H22 B Cl3 F4 N2 Ru -","- C22 H22 B Cl3 F4 N2 Ru -","- C88 H88 B4 Cl12 F16 N8 Ru4 -","4","1","","Gichumbi, Joel M.; Omondi, Bernard; Friedrich, Holger B.","Crystal structure of chlorido-(N-(2,5-dichlorophenyl)-1-(pyridin-2-yl)methanimine-κ2 N,N′)(η 6-1-isopropyl-4-methyl benzene) ruthenium (II) tetrafluoroborate, C22H22Cl3N2BF4Ru","Zeitschrift für Kristallographie - New Crystal Structures","2017","232","2","309","311","10.1515/ncrs-2016-0254","","x-ray","0.71073","MoKα","","0.0244","0.0211","","","0.0515","0.0535","","","","","","1.098","","","","has coordinates","280492","2023-01-21","08:33:51",""
"8106520","11.5358","0.0007","13.8746","0.0009","16.3942","0.001","85.958","0.005","87.407","0.005","87.619","0.005","2612.8","0.3","293","2","293","2","","","","","","","","4","P -1","-P 1","2","","","","- C20 H17 N5 O -","- C20 H17 N5 O -","- C120 H102 N30 O6 -","6","3","","El-Hiti, Gamal A.; Abdel-Wahab, Bakr F.; Baashen, Mohammed; Hegazy, Amany S.; Kariuki, Benson M.","Crystal structure of 3-(5-methyl-1-p-tolyl-1H-1,2,3-triazol-4-yl)-1-phenyl-1H-pyrazole-4-carbaldehyde, a rare Z′ = 3 structure, C20H17N5O","Zeitschrift für Kristallographie - New Crystal Structures","2017","232","2","313","315","10.1515/ncrs-2016-0258","","","0.71073","MoKα","","0.108","0.0607","","","0.1233","0.151","","","","","","1.041","","","","has coordinates","280493","2023-01-21","08:37:30",""
"8106521","19.8348","0.0009","8.8376","0.0003","23.8486","0.001","90","","97.646","0.004","90","","4143.3","0.3","296","2","296","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C23 H16 Cl N5 S -","- C23 H16 Cl N5 S -","- C184 H128 Cl8 N40 S8 -","8","2","","El-Hiti, Gamal A.; Abdel-Wahab, Bakr F.; Hegazy, Amany S.; Kariuki, Benson M.","Crystal structure of 5-(5-(4-chlorophenyl)-1-phenyl-1H-pyrazol-3-yl)-N-phenyl-1,3,4-thiadiazol-2-amine, C23H16ClN5S","Zeitschrift für Kristallographie - New Crystal Structures","2017","232","2","317","319","10.1515/ncrs-2016-0259","","","0.71073","MoKα","","0.0841","0.0492","","","0.1078","0.1276","","","","","","1.031","","","","has coordinates","280494","2023-01-21","08:40:56",""
"8106522","6.26","0.004","20.454","0.012","12.386","0.008","90","","97.146","0.01","90","","1573.6","1.7","293","2","293","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C18 H17 N O5 -","- C18 H17 N O5 -","- C72 H68 N4 O20 -","4","1","","Lou, Benyong; Zhang, Mei; Huang, Yali; Wu, Huazhong","Crystal structure of 7-hydroxy-3-(4-hydroxyphenyl)-4H-1-benzopyran-4-one-N,N-dimethylformamide (1/1), C18H17NO5","Zeitschrift für Kristallographie - New Crystal Structures","2017","232","2","321","322","10.1515/ncrs-2016-0260","","","0.71073","MoKα","","0.0666","0.0497","","","0.1111","0.1214","","","","","","1.069","","","","has coordinates","280495","2023-01-21","08:43:36",""
"8106523","17.3143","0.0009","8.7081","0.0004","19.6795","0.0008","90","","101.795","0.004","90","","2904.5","0.2","293","2","293.15","","","","","","","","","6","I 1 2/a 1","-I 2ya","15","","","","- C30 H14 Cl2 F4 I2 N4 -","- C30 H14 Cl2 F4 I2 N4 -","- C120 H56 Cl8 F16 I8 N16 -","4","0.5","","Wang, Jian-Ge; Wang, Weizhou","Crystal structure of halogen-bonded 2-chloro-1,10-phenanthroline—1,4-diiodotetrafluorobenzene (2/1), C30H14Cl2F4I2N4","Zeitschrift für Kristallographie - New Crystal Structures","2017","232","2","323","324","10.1515/ncrs-2016-0263","","x-ray","0.71073","MoKα","","0.0426","0.034","","","0.084","0.089","","","","","","1.024","","","","has coordinates","280496","2023-01-21","08:46:28",""
"8106524","10.0196","0.0017","13.416","0.002","13.267","0.002","90","","100.658","0.005","90","","1752.6","0.5","303","2","303","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","1-(4,4-Dimethyl-2,6-dithioxo-1,3,5-triazinan-1-yl)-3-(diethylaminocarbonyl)thiourea","","- C11 H20 N6 O S3 -","- C11 H20 N6 O S3 -","- C44 H80 N24 O4 S12 -","4","1","","Hussien, Nasry Jassim; Yusoff, Siti Fairus M.; El-Hiti, Gamal A.; Farina, Yang; Al-Jeboori, Mohamad J.; Yousif, Emad","Crystal structure of 1-(4,4-dimethyl-2,6-dithioxo-1,3,5-triazinan-1-yl)-3-(diethylaminocarbonyl)thiourea, C11H20N6OS3","Zeitschrift für Kristallographie - New Crystal Structures","2017","232","2","325","326","10.1515/ncrs-2016-0265","","","0.71073","MoKα","","0.1049","0.0558","","","0.1181","0.1462","","","","","","1.054","","","","has coordinates","280497","2023-01-21","08:48:56",""
"8106525","7.8272","0.0008","9.6662","0.001","10.9834","0.0012","107.859","0.002","92.559","0.002","99.415","0.002","776.31","0.14","296","2","296","2","","","","","","","","5","P -1","-P 1","2","","","","- C18 H15 F N2 O2 -","- C18 H15 F N2 O2 -","- C36 H30 F2 N4 O4 -","2","1","","Xu, Wen-Chang; You, Jin-Zong; Zhang, Yi-Ping; Huang, Xu-Wen; Li, Tang-Qi; Tong, Sheng-Yue; Qi, De-Qiang","Crystal structure of methyl 1-(4-fluorobenzyl)-3-phenyl-1H-pyrazole-5-carboxylate, C18H15FN2O2","Zeitschrift für Kristallographie - New Crystal Structures","2017","232","2","327","328","10.1515/ncrs-2016-0268","","","0.71073","MoKα","","0.0598","0.0407","","","0.1051","0.1187","","","","","","1.02","","","","has coordinates","280498","2023-01-21","08:51:25",""
"8106526","6.8354","0.0009","13.8221","0.0017","10.2905","0.0012","90","","90.625","0.011","90","","972.2","0.2","296","2","296","2","","","","","","","","4","C 1 c 1","C -2yc","9","","","","- C10 H14 N2 O -","- C10 H14 N2 O -","- C40 H56 N8 O4 -","4","1","","El-Hiti, Gamal A.; Smith, Keith; Hegazy, Amany S.; Kariuki, Benson M.","Crystal structure of 1,1-dimethyl-3-(4-methylphenyl)urea, C10H14N2O","Zeitschrift für Kristallographie - New Crystal Structures","2017","232","2","329","330","10.1515/ncrs-2016-0290","","","0.71073","MoKα","","0.0709","0.0526","","","0.1256","0.1335","","","","","","0.996","","","","has coordinates","280499","2023-01-21","08:54:13",""
"8106527","7.9629","0.0013","15.175","0.002","7.9795","0.0011","90","","90","","90","","964.2","0.2","293","2","293","2","","","","","","","","3","P n m a","-P 2ac 2n","62","","","","- Ga1.24 Sb2.77 Y5 -","- Ga1.25 Sb2.75 Y5 -","- Ga5 Sb11 Y20 -","4","0.5","","Yan, Chang; Zhao, Meng; Gao, Ju; Yao, Jinlei","Crystal structure of yttrium gallium antimonide, Y5Ga1.24Sb2.77","Zeitschrift für Kristallographie - New Crystal Structures","2017","232","2","331","332","10.1515/ncrs-2016-0312","","","0.71073","MoKα","","0.1499","0.0701","","","0.0616","0.0741","","","","","","0.892","","","","has coordinates","280500","2023-01-21","08:56:21",""
"8106528","6.7689","0.0005","45.219","0.003","10.1102","0.0006","90","","101.36","0.007","90","","3033.9","0.4","298","2","298","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C32 H30 N2 O10 -","- C32 H30 N2 O10 -","- C128 H120 N8 O40 -","4","1","","El-Hiti, Gamal A.; Smith, Keith; Alamri, Mesfer; Morris, Ceri A.; Kariuki, Benson M.; Kille, Peter","Crystal structure of 2-(bis(4-methoxyphenyl)amino)-2-oxoacetic acid, C16H15NO5","Zeitschrift für Kristallographie - New Crystal Structures","2017","232","2","333","335","10.1515/ncrs-2016-0325","","","0.71073","MoKα","","0.1151","0.0594","","","0.1184","0.1474","","","","","","1.035","","","","has coordinates","280501","2023-01-21","08:58:58",""
"8106529","16.6477","0.0008","8.1899","0.0004","12.2143","0.0006","90","","90","","90","","1665.33","0.14","105","","105","","","","","","","","","5","P n a 21","P 2c -2n","33","2,5-diiodo-4-nitroimidzole","2,5-diiodo-4-nitroimidzole","","- C6 H4 I4 N6 O5 -","- C6 H4 I4 N6 O5 -","- C24 H16 I16 N24 O20 -","4","1","","Lizhen, Chen; Pengbao, Lian; Jianlong, Wang","Crystal structure of 2,5-diiodo-4-nitro-1H-imidazole hemihydrate, C6H4I4N6O5","Zeitschrift für Kristallographie - New Crystal Structures","2017","232","3","337","338","10.1515/ncrs-2016-0211","","","0.7107","MoKα","","0.0453","0.0406","","","0.0812","0.0859","","","","","","1.047","","","","has coordinates","280502","2023-01-21","09:19:38",""
"8106530","10.12","0.002","12.223","0.002","13.403","0.003","105.7","0.03","98.41","0.03","108.04","0.03","1468.9","0.7","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C32 H34 Cd N4 O4 -","- C32 H34 Cd N4 O4 -","- C64 H68 Cd2 N8 O8 -","2","1","","Liu, Lu; Xu, Chunying; Gao, Huiling; Zhang, Yuping","Crystal structure of catena-poly[μ2-2,2′-(1,3-phenylene)diacetato-κ4 O,O′:O′′,O′′′)-(μ2-1,6-bis(2-methyl-1H-benzo[d]imidazol-1-yl)hexane-κ2 N:N′)cadmium(II)], C32H34CdN4O4","Zeitschrift für Kristallographie - New Crystal Structures","2017","232","3","339","341","10.1515/ncrs-2016-0229","","","0.71073","MoKα","","0.1156","0.0625","","","0.1377","0.1721","","","","","","0.882","","","","has coordinates","280503","2023-01-21","09:22:52",""
"8106531","8.623","0.0017","9.967","0.002","13.257","0.003","80.92","0.03","78.53","0.03","84.75","0.03","1100.5","0.4","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C21 H21 Mn N2 O7 -","- C21 H21 Mn N2 O7 -","- C42 H42 Mn2 N4 O14 -","2","1","","Liu, Lu; Zhang, Jin; Gao, Huiling; Deng, Shaoxin","Crystal structure of poly[aqua-(2,2′-bipyridine-κN,N′)-(μ4-5,5′-(hexane-1,6-diyl)-bis(oxy)diisophthalato κ8 O 1,O 2:O 3,O 4:O 5,O 6:O 7,O 8)manganese(II)], C21H21MnN2O7","Zeitschrift für Kristallographie - New Crystal Structures","2017","232","3","343","345","10.1515/ncrs-2016-0239","","","0.71073","MoKα","","0.0676","0.0555","","","0.1377","0.1474","","","","","","0.978","","","","has coordinates","280504","2023-01-21","09:33:12",""
"8106532","11.6532","0.001","20.1493","0.0018","22.609","0.002","90","","90","","90","","5308.7","0.8","296","2","296.15","","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C29 H30 Co N4 O5 -","- C29 H30 Co N4 O5 -","- C232 H240 Co8 N32 O40 -","8","1","","Han, Min-Le; Wang, San-Tai; Zhou, Zhe","Crystal structure of poly-[(μ2-((1,3-bis(benzimidazol-1-yl)propane-κ2 N:N′)(μ2-4-tert-butyl-phthalato-κ2 O:O′)cobalt(II)] monohydrate, C29H30CoN4O5","Zeitschrift für Kristallographie - New Crystal Structures","2017","232","3","347","349","10.1515/ncrs-2016-0252","","","0.71073","MoKα","","0.0615","0.0363","","","0.0791","0.0909","","","","","","1.027","","","","has coordinates,has disorder","280505","2023-01-21","09:39:13",""
"8106533","8.1553","0.0005","9.0739","0.0009","14.6857","0.0014","100.648","0.008","102.355","0.007","90.45","0.006","1042.03","0.16","293","2","293","2","","","","","","","","4","P -1","-P 1","2","","","","- C21 H26 N2 O6 -","- C21 H26 N2 O6 -","- C42 H52 N4 O12 -","2","1","","Li, Jing; Qiu, Ya-Wen","Crystal structure of 2-amino-4-(3,4,5-trimethoxy-phenyl)-5-(oxo-5,6,7,8-tetrahydro-4H-chromene)-3-carbonitrile – ethanol (1/1), C21H26N2O6","Zeitschrift für Kristallographie - New Crystal Structures","2017","232","3","351","352","10.1515/ncrs-2016-0257","","","0.71073","MoKα","","0.0785","0.0552","","","0.1039","0.1177","","","","","","1.014","","","","has coordinates","280506","2023-01-21","09:42:28",""
"8106534","9.8324","0.0019","10.59","0.002","17.794","0.003","77.08","0.003","81.72","0.004","64.958","0.003","1633.6","0.5","296","2","296","2","","","","","","","","4","P -1","-P 1","2","","","","- C19 H18 N2 O2 -","- C19 H18 N2 O2 -","- C76 H72 N8 O8 -","4","2","","Xu, Wen-Chang; You, Jin-Zong; Feng, Qi; Zhang, Yi-Ping; Ni, Wan-Min; Huang, Xu-Wen; Li, Tang-Qi; Tong, Sheng-Yue; Qi, De-Qiang","Crystal structure of ethyl 1-benzyl-5-phenyl-1H-pyrazole-3-carboxylate, C19H18N2O2","Zeitschrift für Kristallographie - New Crystal Structures","2017","232","3","353","355","10.1515/ncrs-2016-0261","","","0.71073","MoKα","","0.1136","0.0634","","","0.1625","0.1964","","","","","","1.035","","","","has coordinates","280510","2023-01-23","08:14:56",""
"8106535","16.715","0.002","11.2677","0.0015","12.649","0.0017","90","","110.818","0.002","90","","2226.8","0.5","296","2","296","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C25 H19 N5 O3 S -","- C25 H19 N5 O3 S -","- C100 H76 N20 O12 S4 -","4","1","","Huang, Xu-Wen; You, Jin-Zong; Ni, Wan-Min; Zhang, Yi-Ping; Feng, Qi; Xu, Wen-Chang; Tong, Sheng-Yue; Li, Tang-Qi; Qi, De-Qiang","Crystal structure of 2-(1-benzyl-3-phenyl-1H-pyrazol-5-yl)-5-(4-nitrobenzylthio)-1,3,4-oxadiazole, C25H19N5O3S","Zeitschrift für Kristallographie - New Crystal Structures","2017","232","3","357","358","10.1515/ncrs-2016-0262","","","0.71073","MoKα","","0.0836","0.0424","","","0.0864","0.1037","","","","","","1.003","","","","has coordinates","280511","2023-01-23","08:18:16",""
"8106536","8.3612","0.0005","11.8991","0.0007","13.3979","0.0007","94.667","0.003","99.927","0.003","105.882","0.003","1251.21","0.13","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","","","- C27 H16 Cl2 F6 S2 -","- C27 H16 Cl2 F6 S2 -","- C54 H32 Cl4 F12 S4 -","2","1","","Wang, Jingcheng; Liu, Gang; Fan, Congbin; Pu, Shouzhi","Structure and photochromism of 1,2-bis[2-methyl-5-(2-chlorophenyl)-3-thienyl]-3,3,4,4,5,5-hexafluorocyclopent-1-ene, C27H16Cl2F6S2","Zeitschrift für Kristallographie - New Crystal Structures","2017","232","3","359","361","10.1515/ncrs-2016-0264","","","0.71073","MoKα","","0.0515","0.0444","","","0.1245","0.1345","","","","","","1.053","","","","has coordinates,has disorder","280512","2023-01-23","08:20:50",""
"8106537","9.466","0.0004","9.4043","0.0003","18.0824","0.0007","90","","96.07","0.002","90","","1600.69","0.11","100","2","100","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","(E)-2,6-diisopropyl-N-(pyridin-4-ylmethylene)aniline","","- C18 H22 N2 -","- C18 H22 N2 -","- C72 H88 N8 -","4","1","","Njogu, Eric M.; Omondi, Bernard; Nyamori, Vincent O.","The crystal structure of the Schiff base (E)-2,6-diisopropyl-N-(pyridin-4-ylmethylene)aniline, C18H22N2","Zeitschrift für Kristallographie - New Crystal Structures","2017","232","3","363","364","10.1515/ncrs-2016-0266","","x-ray","0.71073","MoKα","","0.0465","0.0426","","","0.1111","0.1167","","","","","","1.034","","","","has coordinates","280513","2023-01-23","08:33:10",""
"8106538","13.458","0.002","7.2464","0.0013","15.027","0.003","90","","96.846","0.003","90","","1455","0.4","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C14 H10 Br2 N2 O3 -","- C14 H10 Br2 N2 O3 -","- C56 H40 Br8 N8 O12 -","4","1","","Hong, Yong; Gou, Gaozhang; Liu, Wei; Yan, Heping","Crystal structure of (E)-2,4-dibromo-6-(((4-methyl-2-nitrophenyl)imino) methyl)phenol, C10H14Br2N2O3","Zeitschrift für Kristallographie - New Crystal Structures","2017","232","3","365","366","10.1515/ncrs-2016-0269","","","1.54178","CuKα","","0.052","0.0474","","","0.1241","0.1314","","","","","","1.009","","","","has coordinates","280514","2023-01-23","08:35:46",""
"8106539","8.0981","0.0015","21.66","0.003","14.17","0.002","90","","95.215","0.004","90","","2475.2","0.7","293","2","293","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C27 H18 N6 Ni O7 -","- C27 H18 N6 Ni O7 -","- C108 H72 N24 Ni4 O28 -","4","1","","Xie, Guixiang; Tang, Zhiwei; Dong, Yan; Wen, Decai","Crystal structure of (bis(2,2′-bipyridine-κ 2 N,N′))-(3,5-dinitrosalicylato-κ 2 O,O′)nickel(II), C27H18N6NiO7","Zeitschrift für Kristallographie - New Crystal Structures","2017","232","3","367","369","10.1515/ncrs-2016-0270","","","0.71073","MoKα","","0.0854","0.0418","","","0.0855","0.0965","","","","","","0.965","","","","has coordinates","280515","2023-01-23","08:38:08",""
"8106540","11.514","0.0014","11.5358","0.0015","15.582","0.002","76.106","0.002","77.556","0.002","74.783","0.003","1912.8","0.4","173","2","173","2","","","","","","","","5","P -1","-P 1","2","","","","- C18 H24 Cl O5 P -","- C18 H24 Cl O5 P -","- C72 H96 Cl4 O20 P4 -","4","2","","Maluleka, Marole M.; Mphahlele, Malose J.","Crystal structure of 1-(diethoxy phosphonomethyl) 2-benzoyl-3-chloro-2-cyclohexen-1-ol, C18H24ClO5P","Zeitschrift für Kristallographie - New Crystal Structures","2017","232","3","371","373","10.1515/ncrs-2016-0271","","","0.71073","MoKα","","0.0648","0.0481","","","0.1211","0.1313","","","","","","1.044","","","","has coordinates,has disorder","280516","2023-01-23","08:41:17",""
"8106541","7.395","0.0011","9.4574","0.0015","9.6619","0.0015","81.139","0.002","75.457","0.003","77.974","0.003","636.02","0.17","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C22 H27 Cu N4 O12.5 -","- C22 H27 Cu N4 O12.5 -","- C22 H27 Cu N4 O12.5 -","1","0.5","","Zhang, Qian; Chen, Lei; Yu, Qiong-Yan","Crystal structure of tetraaqua-bis(1,3-benzimidazol-3-ium-1,3-diacetato-κO)copper(II) hemihydrate, C22H27CuN4O12.50","Zeitschrift für Kristallographie - New Crystal Structures","2017","232","3","375","377","10.1515/ncrs-2016-0273","","","0.71073","MoKα","","0.0389","0.0371","","","0.1001","0.102","","","","","","1.051","","","","has coordinates","280517","2023-01-23","08:43:51",""
"8106542","7.5352","0.0002","10.6639","0.0003","17.5406","0.0005","90","","90","","90","","1409.47","0.07","293","2","293","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C15 H24 O3 -","- C15 H24 O3 -","- C60 H96 O12 -","4","1","","Morales, Glauco; Paredes, Adrián; Brito, Iván; Cárdenas, Alejandro","Crystal structure of 1α,11-dihydroxyeremophil-9-en-8-one, C15H24O3","Zeitschrift für Kristallographie - New Crystal Structures","2017","232","3","379","381","10.1515/ncrs-2016-0275","","","1.54178","CuKα","","0.0344","0.0315","","","0.0816","0.0838","","","","","","1.051","","","","has coordinates","280518","2023-01-23","08:50:18",""
"8106543","8.1311","0.0009","11.6852","0.0013","17.044","0.002","102.754","0.006","92.548","0.007","105.563","0.006","1512.3","0.3","296.15","","296.15","","","","","","","","","6","P -1","-P 1","2","","","","- C16 H13 Fe N3 O2 S -","- C16 H13 Fe N3 O2 S -","- C64 H52 Fe4 N12 O8 S4 -","4","2","","Hu, Jing; Wang, Lu-Yao; Guo, Xiao-Long; Li, Lu","Crystal structure of 1-ferrocenylsulfonyl-1H-imidazo[4,5-b]pyridine, C16H13FeN3O2S","Zeitschrift für Kristallographie - New Crystal Structures","2017","232","3","383","384","10.1515/ncrs-2016-0278","","","0.71073","MoKα","","0.0619","0.044","","","0.1158","0.1307","","","","","","1.019","","","","has coordinates","280519","2023-01-23","08:52:52",""
"8106544","6.0166","0.0006","15.2792","0.0014","11.5833","0.0012","90","","100.295","0.001","90","","1047.7","0.18","298","2","298","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C14 H18 Cl2 Cu2 N8 O2 -","- C14 H18 Cl2 Cu2 N8 O2 -","- C28 H36 Cl4 Cu4 N16 O4 -","2","0.5","","Xin, Wang; Huichao, Lv; Liguo, Yang; Yuqiang, Dai","Crystal structure of bis(μ2-azido-κ2 N:N)-dichlorido-bis(μ2-2-(pyridin-2-yl)ethan-1-ol-κ2 O,N)dicopper(II), C14H18Cl2Cu2N8O2","Zeitschrift für Kristallographie - New Crystal Structures","2017","232","3","385","386","10.1515/ncrs-2016-0279","","","0.71073","MoKα","","0.0596","0.0412","","","0.0829","0.0884","","","","","","1","","","","has coordinates","280520","2023-01-23","08:55:27",""
"8106545","11.8802","0.0004","20.2309","0.0006","22.3328","0.0006","90","","101.649","0.003","90","","5257.1","0.3","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C67 H47 N7 O3 Zn -","- C67 H47 N7 O3 Zn -","- C268 H188 N28 O12 Zn4 -","4","1","","Liguo, Yang; Xin, Wang","Crystal structure of (5,15-cis-bis(2-hydroxy-1-naphthyl)-10-phenyl-20-(4-hydroxyphenyl)-porphyrinato)-(pyridine)-zinc(ii) pyridine solvate, C67H47N7O3Zn","Zeitschrift für Kristallographie - New Crystal Structures","2017","232","3","387","389","10.1515/ncrs-2016-0280","","","0.71073","MoKα","","0.1085","0.0609","","","0.1433","0.1588","","","","","","1.023","","","","has coordinates","280521","2023-01-23","08:59:44",""
"8106546","17.1995","0.0014","11.4175","0.0009","19.1704","0.0017","90","","104.263","0.002","90","","3648.5","0.5","298","2","298","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C44 H32 Cu I O P2 -","- C44 H32 Cu I O P2 -","- C176 H128 Cu4 I4 O4 P8 -","4","1","","Wang, Ying-Feng; Li, Si-Fan; Lin, Sen; Cui, Yang-Zhe; Jin, Qiong-Hua","Crystal structure of (μ2-[2,2′-bis(diphenylphosphino)-1,1′-binaphthalene oxide-κ2 O,P])-iodido copper(I), C44H32CuIOP2","Zeitschrift für Kristallographie - New Crystal Structures","2017","232","3","391","393","10.1515/ncrs-2016-0281","","","0.71073","MoKα","","0.1069","0.0464","","","0.1147","0.1387","","","","","","1.005","","","","has coordinates","280522","2023-01-23","09:12:19",""
"8106547","13.162","0.0002","13.8779","0.0003","11.1618","0.0002","90","","99.71","0.001","90","","2009.62","0.06","173","2","173","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C27 H20 F N O -","- C27 H20 F N O -","- C108 H80 F4 N4 O4 -","4","1","","Maluleka, Marole M.; Oyeyiola, Felix A.; Mphahlele, Malose J.","Crystal structure of 6,8-diphenyl-2-(4-fluorophenyl)-2,3-dihydroquinolin-4(3H)-one, C27H20FNO","Zeitschrift für Kristallographie - New Crystal Structures","2017","232","3","395","396","10.1515/ncrs-2016-0283","","","0.71073","MoKα","","0.0615","0.0436","","","0.1219","0.131","","","","","","1.105","","","","has coordinates","280523","2023-01-23","09:20:11",""
"8106548","19.4442","0.0012","16.8522","0.0011","38.048","0.003","90","","92.4","0.001","90","","12456.5","1.5","153","2","153","2","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","","","- C136 H207.5 O8 -","- C136 H207.503 O8 -","- C544 H830.012 O32 -","4","1","","Patel, Chintan R.; Samipillai, Marivel; Friedrich, Holger B.; Kruger, Hendrik G.; Govender, Thavendran; Maguire, Glenn E. M.","Crystal structure of 5,11,17,23-tetra(tert-butyl)-25,26,27,28-tetrahexoxycalix[4]arene, C68H104O4","Zeitschrift für Kristallographie - New Crystal Structures","2017","232","3","397","402","10.1515/ncrs-2016-0286","","","0.71073","MoKα","","0.0754","0.0488","","","0.1145","0.1295","","","","","","1.012","","","","has coordinates,has disorder","280524","2023-01-23","09:28:16",""
"8106549","4.4412","0.0008","14.1","0.003","15.206","0.003","90","","95.92","0.004","90","","947.1","0.3","296.15","","296.15","","","","","","","","","4","P 1 c 1","P -2yc","7","","","","- C18 H20 N6 O4 -","- C18 H20 N6 O4 -","- C36 H40 N12 O8 -","2","1","","Wang, Zhaodong; Lin, Huanzhu; Yang, Yanshuang","Crystal structure of N,N′–bis(pyridin-4-ylmethyl)pyrazine-2,3-dicarboxamide dihydrate, C18H20N6O4","Zeitschrift für Kristallographie - New Crystal Structures","2017","232","3","403","404","10.1515/ncrs-2016-0287","","","0.71073","MoKα","","0.0483","0.0352","","","0.0714","0.077","","","","","","1.042","","","","has coordinates","280525","2023-01-23","09:46:56",""
"8106550","21.8966","0.0012","7.2586","0.0004","12.2346","0.0006","90","","98.232","0.001","90","","1924.52","0.18","296","2","296","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C80 H72 Mn2 N20 O20 -","- C80 H72 Mn2 N20 O20 -","- C80 H72 Mn2 N20 O20 -","1","0.25","","Ju, Feng-Yang; Guo, Wen-Bo; Li, Yun-Ping","Crystal structure of a diaqua-bis(3,5-di(1H-imidazol-1-yl)pyridine-κN)-bis(2-(4-carboxy-phenyl)acetato-κO]manganese(II), C40H36MnN10O10","Zeitschrift für Kristallographie - New Crystal Structures","2017","232","3","405","407","10.1515/ncrs-2016-0288","","","0.71073","MoKα","","0.0414","0.0327","","","0.0788","0.0847","","","","","","1.026","","","","has coordinates","280526","2023-01-23","09:49:29",""
"8106551","10.4501","0.0019","15.75","0.003","12.043","0.002","90","","102.625","0.003","90","","1934.2","0.6","296","2","296","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C21 H25 N O5 -","- C21 H25 N O5 -","- C84 H100 N4 O20 -","4","1","","Hao, Wen-Jing; Xu, Xiao-Yan; Zhang, Dai-Zun; Han, Rui","Crystal structure of 4-(4-hydroxy-3-methoxy-phenyl)-2,7,7-trimethyl-5-oxo-1,4,5,6,7,8-hexahydro-quinoline-3-carboxylic acid methyl ester, C21H25NO5","Zeitschrift für Kristallographie - New Crystal Structures","2017","232","3","409","410","10.1515/ncrs-2016-0291","","","0.71073","MoKα","","0.0514","0.0406","","","0.1114","0.1177","","","","","","1.083","","","","has coordinates","280527","2023-01-23","09:51:59",""
"8106552","7.3757","0.0004","7.7827","0.0005","15.2903","0.001","79.473","0.004","82.927","0.001","72.069","0.004","818.92","0.09","298","2","298","2","","","","","","","","4","P -1","-P 1","2","","","","- C16 H13 N2 O9.5 -","- C16 H13 N2 O9.5 -","- C32 H26 N4 O19 -","2","1","","Song, Li; Hui, Liu; Linxin, Deng; Xiangdong, Qin","Crystal structure of (E)-4,4′-(ethene-1,2-diyl)bis(3-nitrobenzoic acid) 1.5 hydrate, C16H13N2O9.5","Zeitschrift für Kristallographie - New Crystal Structures","2017","232","3","411","412","10.1515/ncrs-2016-0292","","","0.71073","MoKα","","0.0598","0.0443","","","0.1157","0.1317","","","","","","1.029","","","","has coordinates","280528","2023-01-23","09:55:23",""
"8106553","5.2272","0.0004","26.7398","0.0015","15.2645","0.001","90","","97.726","0.007","90","","2114.2","0.2","298","2","298","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C23 H17 F2 N5 O S -","- C23 H17 F2 N5 O S -","- C92 H68 F8 N20 O4 S4 -","4","1","","El-Hiti, Gamal A.; Abdel-Wahab, Bakr F.; Hegazy, Amany S.; Kariuki, Benson M.","Crystal structure of (E)-2-(5-(4-fluorophenyl)-3-(furan-2-yl)-4,5-dihydro-1H-pyrazol-1-yl)-5-((4-fluorophenyl)diazenyl)-4-methylthiazole, C23H17F2N5OS","Zeitschrift für Kristallographie - New Crystal Structures","2017","232","3","413","415","10.1515/ncrs-2016-0293","","","0.71073","MoKα","","0.1016","0.0547","","","0.1124","0.1371","","","","","","1.043","","","","has coordinates","280529","2023-01-23","10:12:42",""
"8106554","7.3612","0.0003","9.237","0.0004","19.294","0.0008","94.657","0.002","96.902","0.002","113.01","0.002","1186.92","0.09","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","","","- C23 H28 N4 O6 S -","- C23 H28 N4 O6 S -","- C46 H56 N8 O12 S2 -","2","1","","Ghorab, Mostafa M.; Alsaid, Mansour S.; Al-Dosari, Mohmmed S.; Ghabbour, Hazem A.","Crystal structure of the co-crystalline adduct 4-((4,4-dimethyl-2,6-dioxocyclohexylidene)methylamino)-N-(4,6-dimethylpyrimidin-2-yl)benzenesulfonamide - acetic acid (1/1), C21H24N4O4S ⋅ C2H4O2","Zeitschrift für Kristallographie - New Crystal Structures","2017","232","3","417","419","10.1515/ncrs-2016-0295","","","0.71073","MoKα","","0.1254","0.0617","","","0.1368","0.1575","","","","","","1.033","","","","has coordinates","280530","2023-01-23","10:16:16",""
"8106555","11.2163","0.0007","15.2998","0.001","19.5929","0.0011","90","","122.251","0.003","90","","2843.5","0.3","293","2","293","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C33 H29 B Cl N5 S -","- C33 H29 B Cl N5 S -","- C132 H116 B4 Cl4 N20 S4 -","4","1","","Ghabbour, Hazem A.; Mostafa, Gamal A.E.","Synthesis and crystal structure of 2-((5-chlorobenzo[c][1,2,5]thiadiazol-4-yl)amino)-4,5-dihydro-1H-imidazol-3-ium tetraphenylborate, C33H29BClN5S","Zeitschrift für Kristallographie - New Crystal Structures","2017","232","3","421","422","10.1515/ncrs-2016-0296","","","0.71073","MoKα","","0.1096","0.0592","","","0.1165","0.1362","","","","","","1.037","","","","has coordinates","280531","2023-01-23","10:19:14",""
"8106556","7.8754","0.0006","10.9326","0.001","11.8418","0.0009","73.845","0.003","84.237","0.002","74.207","0.003","942","0.13","273","2","273","2","","","","","","","","7","P -1","-P 1","2","","","","- C3.5 H2.33 Cl0.17 F0.5 Fe0.17 N0.33 O0.17 -","- C3.5 H2.33333 Cl0.166667 F0.5 Fe0.166667 N0.333333 O0.166667 -","- C42 H28 Cl2 F6 Fe2 N4 O2 -","12","6","","Ruan, Ban-Feng; Wang, Kun; Deng, Sheng-Song","Crystal structure of (4-chlorophenyl)(3-ferrocenyl-5-(trifluoromethyl)-1H-pyrazol-1-yl)methanone, C21H14ClF3FeN2O","Zeitschrift für Kristallographie - New Crystal Structures","2017","232","3","423","424","10.1515/ncrs-2016-0298","","","0.71073","MoKα","","0.0529","0.0385","","","0.0901","0.0973","","","","","","1.018","","","","has coordinates","280532","2023-01-23","10:22:19",""
"8106557","9.7404","0.0005","10.0985","0.0005","10.752","0.0005","90","","98.328","0.003","90","","1046.45","0.09","100","2","100","2","","","","","","","","4","P 1 21 1","P 2yb","4","Hydroisoquinolinium derivative","(S)-benzyl 3-(benzylcarbamoyl)-3,4-dihydroisoquinoline-2(1H)-carboxylate","","- C25 H24 N2 O3 -","- C25 H24 N2 O3 -","- C50 H48 N4 O6 -","2","1","","Samipillai, Marivel; Govender, Thavendran; Kruger, Hendrik G.; Tricia, Naicker","Crystal structure of (S)-benzyl 3-(benzylcarba-moyl)-3,4-dihydroisoquinoline-2(1H)-carboxylate, C25H24N2O3","Zeitschrift für Kristallographie - New Crystal Structures","2017","232","3","425","426","10.1515/ncrs-2016-0299","","","0.71073","MoKα","","0.0269","0.0252","","","0.0588","0.06","","","","","","0.911","","","","has coordinates","280533","2023-01-23","10:26:04",""
"8106558","12.4266","0.0011","6.6865","0.0005","17.151","0.0015","90","","99.288","0.002","90","","1406.4","0.2","173","2","173","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","5-acetyl-3-(3-fluoro-4-morpholinophenyl)oxazolidin-2-one","","- C15 H17 F N2 O4 -","- C15 H17 F N2 O4 -","- C60 H68 F4 N8 O16 -","4","1","","Samipillai, Marivel; Govender, Thavendran; Kruger, Hendrik G.; Tricia, Naicker","Crystal structure of 5-acetyl-3-(3-fluoro-4-morpholinophenyl)oxazolidin-2-one, C15H17FN2O4","Zeitschrift für Kristallographie - New Crystal Structures","2017","232","3","427","428","10.1515/ncrs-2016-0300","","","0.71073","MoKα","","0.0636","0.0422","","","0.1033","0.1139","","","","","","1.029","","","","has coordinates","280534","2023-01-23","10:40:16",""
"8106559","15.1714","0.0003","14.061","0.0003","15.9365","0.0003","90","","90","","90","","3399.65","0.12","296","2","296.15","","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C19 H16 F I N2 -","- C19 H16 F I N2 -","- C152 H128 F8 I8 N16 -","8","1","","Li, Zhong-Yan; Zhang, Min; Yuan, Xian-You; Yuan, Lin","Crystal structure of 2-(4-fluorophenyl)-1,3-dimethyl-1H-perimidin-3-ium iodide, C19H16FIN2","Zeitschrift für Kristallographie - New Crystal Structures","2017","232","3","429","430","10.1515/ncrs-2016-0301","","","0.71073","MoKα","","0.0374","0.0295","","","0.0732","0.0787","","","","","","1.038","","","","has coordinates","280535","2023-01-23","10:43:23",""
"8106560","5.6463","0.0006","21.47","0.003","7.3961","0.0009","90","","112.015","0.004","90","","831.23","0.18","150","2","150","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C10 H9 N O2 -","- C10 H9 N O2 -","- C40 H36 N4 O8 -","4","1","","Almutairi, Maha S.; Ghabbour, Hazem A.; Attia, Mohamed I.","Crystal structure of methyl 1H-indole-2-carboxylate, C10H9NO2","Zeitschrift für Kristallographie - New Crystal Structures","2017","232","3","431","432","10.1515/ncrs-2016-0303","","","0.71073","MoKα","","0.0708","0.0505","","","0.1248","0.1331","","","","","","1.079","","","","has coordinates","280549","2023-01-24","09:56:52",""
"8106561","11.0454","0.0004","21.9125","0.0008","11.6544","0.0004","90","","111.783","0.001","90","","2619.33","0.16","293","2","293","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C28 H37 N3 O2 -","- C28 H37 N3 O2 -","- C112 H148 N12 O8 -","4","1","","Hassan, Rasha M.; Ghabbour, Hazem A.; Aboul-Enein, Mohamed N.; El-Azzouny, Aida A.; Saleh, Ola A.; Attia, Mohamed I.","Crystal structure of 2,3-diphenyl-1-[(dipropylamino)acetyl]-1,3-diazaspiro[4.5]decan-4-one, C28H37N3O2","Zeitschrift für Kristallographie - New Crystal Structures","2017","232","3","433","435","10.1515/ncrs-2016-0304","","","0.71073","MoKα","","0.1256","0.0658","","","0.1609","0.194","","","","","","1.014","","","","has coordinates","280550","2023-01-24","10:01:31",""
"8106562","7.3322","0.0005","8.0341","0.0005","19.4479","0.0014","90","","95.775","0.002","90","","1139.82","0.13","293","2","293","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C13 H12 N2 O3 -","- C13 H12 N2 O3 -","- C52 H48 N8 O12 -","4","1","","Al-Wabli, Reem I.; Al-Ghamdi, Alwah R.; Ghabbour, Hazem A.; Attia, Mohamed I.","Crystal structure of 1-(2H-1,3-benzodioxol-5-yl)-3-(1H-imidazol-1-yl)propan-1-one, C13H12N2O3","Zeitschrift für Kristallographie - New Crystal Structures","2017","232","3","437","439","10.1515/ncrs-2016-0305","","","0.71073","MoKα","","0.0887","0.0533","","","0.118","0.1335","","","","","","1.072","","","","has coordinates","280551","2023-01-24","10:05:29",""
"8106563","19.6816","0.0009","4.6554","0.0002","11.8795","0.0006","90","","90","","90","","1088.47","0.09","293","2","293.15","","","","","","","","","4","P n a 21","P 2c -2n","33","","","","- C12 H6 Br2 N2 -","- C12 H6 Br2 N2 -","- C48 H24 Br8 N8 -","4","1","","Zhang, Yu; Wang, Weizhou","Crystal structure of 2,9-dibromo-1,10-phenanthroline, C12H6Br2N2","Zeitschrift für Kristallographie - New Crystal Structures","2017","232","3","441","442","10.1515/ncrs-2016-0306","","x-ray","0.71073","MoKα","","0.0689","0.0434","","","0.1072","0.1323","","","","","","0.8","","","","has coordinates","280552","2023-01-24","10:08:34",""
"8106564","7.3884","0.0004","10.0741","0.0006","12.6533","0.0008","69.209","0.002","73.778","0.002","72.638","0.002","824.33","0.09","296","2","296","2","","","","","","","","5","P -1","-P 1","2","","","","- C18 H20 F N3 S -","- C18 H20 F N3 S -","- C36 H40 F2 N6 S2 -","2","1","","Al-Shehri, Mona M.; Elsaman, Tilal; Al-Abdullah, Ebtehal S.; Ghabbour, Hazem A.; El-Emam, Ali A.","Crystal structure of 3-(adamantan-1-yl)-4-(4-fluorophenyl)-1H-1,2,4-triazole-5(4H)-thione, C18H20FN3S","Zeitschrift für Kristallographie - New Crystal Structures","2017","232","3","443","445","10.1515/ncrs-2016-0309","","","0.71073","MoKα","","0.0739","0.048","","","0.1181","0.1351","","","","","","1.031","","","","has coordinates","280553","2023-01-24","10:11:26",""
"8106565","6.3166","0.0004","8.5454","0.0005","14.8075","0.0009","105.157","0.002","94.494","0.003","101.89","0.002","747.49","0.08","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","","","- C36 H28 Co N6 O4 -","- C36 H28 Co N6 O4 -","- C36 H28 Co N6 O4 -","1","0.5","","Hill, Tania N.; Koen, Renier; Roodt, Andreas","Crystal structure of trans-bis((E)-7-oxo-4-(phenyldiazenyl)cyclohepta-1,3,5-trien-1-olato)-κ2 O,O′)-bis(pyridine-κN)cobalt(II), C36H28CoN6O4","Zeitschrift für Kristallographie - New Crystal Structures","2017","232","3","447","449","10.1515/ncrs-2016-0310","","","0.71073","MoKα","","0.0413","0.0332","","","0.0749","0.079","","","","","","1.041","","","","has coordinates","280554","2023-01-24","10:20:00",""
"8106566","8.5468","0.0004","7.0166","0.0004","10.3407","0.0005","90","","106.225","0.002","90","","595.43","0.05","150","2","150","2","","","","","","","","4","P 1 21/m 1","-P 2yb","11","","","","- C13 H9 N3 S -","- C13 H9 N3 S -","- C26 H18 N6 S2 -","2","0.5","","Mabkhot, Yahia N.; Ghabbour, Hazem A.; Al-aizari, Faiz A.","Crystal structure of 2-(4-methyl-3-phenylthiazol-2(3H)-ylidene)malononitrile, C13H9N3S","Zeitschrift für Kristallographie - New Crystal Structures","2017","232","3","451","452","10.1515/ncrs-2016-0313","","","0.71073","MoKα","","0.1197","0.0623","","","0.1368","0.1607","","","","","","1.017","","","","has coordinates","280555","2023-01-24","10:22:16",""
"8106567","7.167","0.0003","12.2734","0.0006","13.156","0.0006","109.605","0.002","96.515","0.002","97.312","0.002","1066.08","0.09","296","2","296","2","","","","","","","","5","P -1","-P 1","2","","","","- C24 H27 Cl N2 S -","- C24 H27 Cl N2 S -","- C48 H54 Cl2 N4 S2 -","2","1","","El-Emam, Ali A.; Al-Omary, Fatmah A. M.; Al-Rasheed, Lamees S.; Ghabbour, Hazem A.; Al-Abdullah, Ebtehal S.","Crystal structure of (Z)-3-(adamantan-1-yl)-1-(3-chlorophenyl)-S-benzylisothiourea, C24H27ClN2S","Zeitschrift für Kristallographie - New Crystal Structures","2017","232","3","453","456","10.1515/ncrs-2016-0315","","","0.71073","MoKα","","0.0809","0.0515","","","0.1202","0.1396","","","","","","1.054","","","","has coordinates","280556","2023-01-24","10:24:52",""
"8106568","9.4006","0.0002","10.8185","0.0003","19.4821","0.0005","90","","97.941","0.001","90","","1962.34","0.09","150","2","150","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","chlorido{[3-(η^5^-cyclopentadienyl)-2,2,3-trimethyl-1-phenylbutylidene]\ azanido-κ<i>N</i>}[η^2^(<i>N,O</i>)-<i>N,N</i>-dimethylhydroxylaminato]\ titanium(IV)","","- C20 H27 Cl N2 O Ti -","- C20 H27 Cl N2 O Ti -","- C80 H108 Cl4 N8 O4 Ti4 -","4","1","","Večeřa, Miloš; Gyepes, Róbert; Lamač, Martin","Crystal structure of chlorido{[3-(η5-cyclopenta-dienyl)-2,2,3-trimethyl-1-phenylbutylidene] azanido-κN}[η2(N,O)-N,N-dimethylhydroxylaminato]titanium(IV), C20H27ClN2OTi","Zeitschrift für Kristallographie - New Crystal Structures","2017","232","3","457","459","10.1515/ncrs-2016-0316","","","0.71073","MoKα","","0.0317","0.027","","","0.07","0.0731","","","","","","1.036","","","","has coordinates","280557","2023-01-24","10:27:26",""
"8106569","12.7029","0.0006","16.0791","0.0008","7.7171","0.0004","90","","90","","90","","1576.23","0.14","293","2","293","2","","","","","","","","5","P b c n","-P 2n 2ab","60","","Methyl Viologen Zinc Chloride","","- C12 H14 Cl4 N2 Zn -","- C12 H14 Cl4 N2 Zn -","- C48 H56 Cl16 N8 Zn4 -","4","0.5","","Song, Qingmei; Song, Lijun","Crystal Structure of 1,1′-dimethyl-[4,4′-bipyridine]-1,1′-diium tetrachloridozincate(II), C12H14Cl4N2Zn","Zeitschrift für Kristallographie - New Crystal Structures","2017","232","3","461","462","10.1515/ncrs-2016-0317","","","0.71073","MoKα","","0.0401","0.0316","","","0.091","0.0988","","","","","","1.073","","","","has coordinates","280558","2023-01-24","10:29:41",""
"8106570","8.1726","0.0002","7.1419","0.0002","18.4875","0.0006","90","","100.376","0.001","90","","1061.43","0.05","298","2","298","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C11 H12 N2 O3 -","- C11 H12 N2 O3 -","- C44 H48 N8 O12 -","4","1","","Ngouan, Aka Joseph; Mansilla-Koblavi, Frédérica; Timotou, Adeyole; Adjou, Ané; Tenon, Jules Abodou","Crystal structure of 5-nitro-2-(pyrrolidin-1-yl)benzaldehyde, C11H12N2O3","Zeitschrift für Kristallographie - New Crystal Structures","2017","232","3","463","464","10.1515/ncrs-2016-0318","","","0.71073","MoKα","","0.062","0.0533","","","0.1144","0.1212","","","","","","1.042","","","","has coordinates,has disorder","280575","2023-01-25","08:13:03",""
"8106571","8.8698","0.0005","24.4835","0.0013","11.789","0.0006","90","","113.024","0.003","90","","2356.2","0.2","293","2","293","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C26 H31 N3 O3 -","- C26 H31 N3 O3 -","- C104 H124 N12 O12 -","4","1","","Hassan, Rasha M.; Ghabbour, Hazem A.; Aboul-Enein, Mohamed N.; El-Azzouny, Aida A.; Saleh, Ola A.; Attia, Mohamed I.","Crystal structure of 2,3-diphenyl-1-(morpholin-4-ylacetyl)-1,3-diazaspiro[4.5]decan-4-one, C26H31N3O3","Zeitschrift für Kristallographie - New Crystal Structures","2017","232","3","465","467","10.1515/ncrs-2016-0319","","","0.71073","MoKα","","0.0924","0.0606","","","0.1416","0.1597","","","","","","1.037","","","","has coordinates","280576","2023-01-25","08:23:41",""
"8106572","9.0972","0.0011","11.1576","0.0014","12.5933","0.0016","90","","105.368","0.001","90","","1232.6","0.3","296","2","296","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C15 H14 O3 -","- C15 H14 O3 -","- C60 H56 O12 -","4","1","","Song, Rui; Zhou, Bo; Shao, Rui-Xin","Crystal structure of 3,3-dimethyl-3,4-dihydro-1H-benzo[c]chromene-1,6(2H)-dione, C15H14O3","Zeitschrift für Kristallographie - New Crystal Structures","2017","232","3","469","470","10.1515/ncrs-2016-0322","","","0.71073","MoKα","","0.0507","0.0393","","","0.1086","0.119","","","","","","1.06","","","","has coordinates","280577","2023-01-25","08:26:11",""
"8106573","12.7943","0.0007","11.7513","0.0006","16.7322","0.0009","90","","96.337","0.002","90","","2500.3","0.2","296","2","296","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C22 H32 N2 Ni O6 -","- C22 H32 N2 Ni O6 -","- C88 H128 N8 Ni4 O24 -","4","0.5","","Yuhua, Guo; Youzhu, Yu; Weiyun, Shi; Aimin, Wei; Fengli, Wang","Crystal structure of bis(2-(2-hydroxymethyl)pyridine-κ2 N,O)-bis(pivalato-κO)nickel(II), C22H32N2NiO6","Zeitschrift für Kristallographie - New Crystal Structures","2017","232","3","471","472","10.1515/ncrs-2016-0323","","","0.71073","MoKα","","0.03","0.0278","","","0.0795","0.0816","","","","","","1.045","","","","has coordinates","280579","2023-01-25","08:41:07",""
"8106574","10.317","0.0009","13.1061","0.0012","17.6919","0.0015","90","","108.231","0.003","90","","2272.1","0.3","298","2","298","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C20 H20 Mn N6 O7 -","- C20 H20 Mn N6 O7 -","- C80 H80 Mn4 N24 O28 -","4","1","","Lei, Lü; Rudan, Huang","Crystal structure of (1,10-phenanthroline-κ2 N,N′)-bis(1H-pyrazole-3-carboxylato-κ2 N,O)manganese(II) trihydrate, C20H20N6O7Mn","Zeitschrift für Kristallographie - New Crystal Structures","2017","232","3","473","475","10.1515/ncrs-2016-0326","","","0.71073","MoKα","","0.0824","0.0428","","","0.0853","0.1058","","","","","","1.052","","","","has coordinates","280580","2023-01-25","08:43:36",""
"8106575","5.0152","0.0002","10.147","0.0004","14.1852","0.0005","90","","96.501","0.002","90","","717.23","0.05","100","2","100.15","","","","","","","","","4","P 1 21/n 1","-P 2yn","14","3-aminopropylazanium iodide","3-aminopropan-1-aminium iodide","","- C3 H11 I N2 -","- C3 H11 I N2 -","- C12 H44 I4 N8 -","4","1","","Arderne, Charmaine; Batchelor, Kyle F.","The crystal structure of 3-aminopropan-1-aminium iodide, C3H11N2I","Zeitschrift für Kristallographie - New Crystal Structures","2017","232","3","477","478","10.1515/ncrs-2016-0327","","","0.71073","MoKα","","0.024","0.0174","","","0.039","0.0411","","","","","","1.098","","","","has coordinates","280581","2023-01-25","08:46:17",""
"8106576","13.5673","0.0005","7.7549","0.0003","12.4911","0.0005","90","","102.468","0.002","90","","1283.23","0.09","298","2","298","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C12 H12 Cl N3 O2 -","- C12 H12 Cl N3 O2 -","- C48 H48 Cl4 N12 O8 -","4","1","","Brito, Iván; Kesternich, Victor; Pérez-Fehrmann, Marcia; Bugueño, Andrea; Araneda, Catherine; Cárdenas, Alejandro","Crystal structure of ethyl 1-(4-chlorophenyl)-5-methyl-1H-1,2,3-triazole-4 carboxylate, C12H12ClN3O2","Zeitschrift für Kristallographie - New Crystal Structures","2017","232","3","479","480","10.1515/ncrs-2016-0328","","","1.54178","CuKα","","0.0594","0.0467","","","0.1138","0.1227","","","","","","1.042","","","","has coordinates","280582","2023-01-25","08:49:17",""
"8106577","11.7857","0.0004","10.6233","0.0004","8.0268","0.0003","90","","102.104","0.002","90","","982.64","0.06","293","2","293","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C24 H24 N2 O2 -","- C24 H24 N2 O2 -","- C48 H48 N4 O4 -","2","0.5","","Sheng, Liang-Quan; Liang, Yan-Nan; Du, Na-Na; Xu, Hua-Jie","Crystal structure of 4,4′-((1Z,1′Z)-2,2′-(2,5-diethoxy-1,4-phenylene)bis(ethene-2,1-diyl))dipyridine, C24H24N2O2","Zeitschrift für Kristallographie - New Crystal Structures","2017","232","3","481","482","10.1515/ncrs-2016-0329","","","0.71073","MoKα","","0.0345","0.032","","","0.08","0.0827","","","","","","1.016","","","","has coordinates","280583","2023-01-25","08:52:09",""
"8106578","8.3007","0.0004","12.0111","0.0006","17.0604","0.0009","90","","90","","90","","1700.93","0.15","296","2","296","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C20 H24 O4 -","- C20 H24 O4 -","- C80 H96 O16 -","4","1","","Yousaf, Muhammad; Nur-e-Alam, Mohammad; Ghabbour, Hazem A.; Al-Oqai, Mai; Al-Rehaily, Adnan J.","Crystal structure of (16S)-12,16-epoxy-11,14-dihydroxy-17(15/16)-abeo-3a,18-cyclo-8,11,13-abietatrien-7-one, C20H24O4","Zeitschrift für Kristallographie - New Crystal Structures","2017","232","3","483","484","10.1515/ncrs-2016-0330","","","1.54178","CuKα","","0.1126","0.0621","","","0.12","0.1413","","","","","","0.986","","","","has coordinates","280584","2023-01-25","08:54:20",""
"8106579","8.5737","0.0006","11.4177","0.0009","20.3031","0.0016","90","","99.309","0.003","90","","1961.3","0.3","296","","296","","","","","","","","","6","P 1 21/n 1","-P 2yn","14","dichlorido(2,4,6-tri-2-pyridyl-1,3,5-triazine)nickel(II)dihydrate","dichlorido(2,4,6-tri-2-pyridyl-1,3,5-triazine)nickel(II)dihydrate","","- C18 H16 Cl2 N6 Ni O2 -","- C18 H16 Cl2 N6 Ni O2 -","- C72 H64 Cl8 N24 Ni4 O8 -","4","1","","Yağci, Nermin Kahveci; Güven, Kutalmış; Yildiz, Gökçen Dikici","Crystal structure of aquadichlorido(2,4,6-tri-2-pyridyl-1,3,5-triazine-κ3 N,N′,N′′)nickel(II) monohydrate, C18H16Cl2N6NiO2","Zeitschrift für Kristallographie - New Crystal Structures","2017","232","3","485","487","10.1515/ncrs-2016-0332","","","0.71073","MoKα","","0.0856","0.0479","","","0.0773","0.0865","","","","","","1.073","","","","has coordinates","280585","2023-01-25","08:57:42",""
"8106580","7.8177","0.0004","7.9757","0.0004","15.2165","0.0007","76.444","0.002","79.66","0.002","77.353","0.002","891.71","0.08","295","2","295","2","","","","","","","","6","P -1","-P 1","2","","","","- C15 H14 Cl2 Hg N2 O4 -","- C15 H14 Cl2 Hg N2 O4 -","- C30 H28 Cl4 Hg2 N4 O8 -","2","1","","Brito, Iván; Araneda, Catherine; Cárdenas, Alejandro","Crystal structure of catena-poly[dichlorido-(μ-ethane-1,2-diyl-bis-(pyridyl-4-carboxylate-κN:N′)mercury(II)], C15H14Cl2HgN2O4","Zeitschrift für Kristallographie - New Crystal Structures","2017","232","3","489","491","10.1515/ncrs-2016-0335","","","0.71073","MoKα","","0.0486","0.03","","","0.0376","0.0408","","","","","","1.076","","","","has coordinates","280586","2023-01-25","09:00:09",""
"8106581","16.124","0.005","19.588","0.005","6.8155","0.0018","90","","90","","90","","2152.6","1","296","2","296","2","","","","","","","","5","I b a m","-I 2 2c","72","","","","- C10 H10 Cl N O3 -","- C10 H10 Cl N O3 -","- C80 H80 Cl8 N8 O24 -","8","0.5","","Zhao, Chun-Shen; Wu, Ming-Yuan; Li, Fei; Liu, Li; Le, Yi","Crystal structure of methyl 2-acetamido-5-chlorbenzoate, C10H10ClNO3","Zeitschrift für Kristallographie - New Crystal Structures","2017","232","3","493","494","10.1515/ncrs-2016-0336","","","0.71073","MoKα","","0.057","0.0424","","","0.1065","0.1186","","","","","","1.023","","","","has coordinates","280587","2023-01-25","09:30:26",""
"8106582","10.6191","0.0001","14.6736","0.0002","11.6519","0.0002","90","","111.056","0.001","90","","1694.38","0.04","296","2","296","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C28 H38 Cu2 N6 O8 -","- C28 H38 Cu2 N6 O8 -","- C56 H76 Cu4 N12 O16 -","2","0.5","","Kang, Jaeun; Kim, Minji; Ok, Kang Min; Do, Junghwan","Crystal structure of tetrakis(μ 2-3,3-dimethylacrylato-κ 2 O,O′)-bis(2-aminopyrimidine-κN) dicopper(II), C28H38Cu2N6O8","Zeitschrift für Kristallographie - New Crystal Structures","2017","232","3","495","496","10.1515/ncrs-2016-0337","","","0.71073","MoKα","","0.0392","0.0298","","","0.0833","0.0871","","","","","","1.036","","","","has coordinates","280588","2023-01-25","09:32:48",""
"8106583","8.5971","0.0003","9.8586","0.0003","10.6199","0.0004","95.747","0.002","104.384","0.002","101.768","0.002","842.69","0.05","293","2","293","2","","","","","","","","4","P -1","-P 1","2","","","","- C21 H16 N2 O2 -","- C21 H16 N2 O2 -","- C42 H32 N4 O4 -","2","1","","Okasha, Rawda M.; Amr, Abd El-Galil E.; El-Agrody, Ahmed M.; Al-Omar, Mohamed A.; Ghabbour, Hazem A.","Crystal structure of 3-amino-8-methoxy-1-phenyl-1H-benzo[f]chromene-2-carbonitrile, C21H16N2O2","Zeitschrift für Kristallographie - New Crystal Structures","2017","232","3","497","499","10.1515/ncrs-2016-0338","","","1.54178","CuKα","","0.085","0.0482","","","0.1187","0.1377","","","","","","1.019","","","","has coordinates","280589","2023-01-25","09:36:46",""
"8106584","7.9597","0.0011","9.1223","0.0013","9.2893","0.0012","118.575","0.003","106.507","0.004","97.12","0.004","540.21","0.13","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C6 H18 Cl2 N2 O2 -","- C6 H18 Cl2 N2 O2 -","- C12 H36 Cl4 N4 O4 -","2","1","","Ghorab, Mostafa M.; Alsaid, Mansour S.; Ghabbour, Hazem A.","Crystal structure of 4-(2-ammonioethyl)morpholin-4-ium dichloride monohydrate, C6H18Cl2N2O2","Zeitschrift für Kristallographie - New Crystal Structures","2017","232","3","501","502","10.1515/ncrs-2016-0342","","","0.71073","MoKα","","0.0869","0.047","","","0.0996","0.1156","","","","","","1.038","","","","has coordinates","280590","2023-01-25","09:39:57",""
"8106585","18.476","0.0016","4.84","0.0003","21.641","0.0018","90","","96.162","0.001","90","","1924","0.3","298","2","298","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C22 H19 Br N2 O2 -","- C22 H19 Br N2 O2 -","- C88 H76 Br4 N8 O8 -","4","1","","Wang, Yan-Bin","Crystal structure of 1-(3-((5-bromo-2-hydroxybenzylidene)amino)phenyl)ethanone O-benzyl oxime, C22H19BrN2O2","Zeitschrift für Kristallographie - New Crystal Structures","2017","232","3","503","504","10.1515/ncrs-2016-0346","","","0.71073","MoKα","","0.1368","0.0542","","","0.1258","0.1719","","","","","","1.036","","","","has coordinates","280591","2023-01-25","09:42:35",""
"8106586","5.8088","0.0018","11.667","0.004","13.104","0.004","68.724","0.004","84.66","0.005","84.859","0.004","822.5","0.5","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C15 H20 F N7 O2 -","- C15 H20 F N7 O2 -","- C30 H40 F2 N14 O4 -","2","1","","Liu, Shao-Hua; Tang, Mi; Cheng, Li-Hua; Shen, Shi-Gang","Crystal structure of 2-(4-(dimethylamino)-2-fluorophenyl)-1,3-bis(1H-1,2,4-triazol-1-yl)propan-2-ol monohydrate, C15H20FN7O2","Zeitschrift für Kristallographie - New Crystal Structures","2017","232","3","505","506","10.1515/ncrs-2016-0354","","","0.71073","MoKα","","0.0796","0.0501","","","0.1285","0.1394","","","","","","1.018","","","","has coordinates","280592","2023-01-25","09:45:55",""
"8106587","16.255","0.003","4.4119","0.0009","25.923","0.005","90","","107.99","0.03","90","","1768.2","0.7","150","2","150","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C9 H7 Br N2 O -","- C9 H7 Br N2 O -","- C72 H56 Br8 N16 O8 -","8","1","","Jaćimović, Željko K.; Kosović, Milica; Novaković, Sladjana B.; Bogdanović, Goran A.; Giester, Gerald; Kastratović, Vlatko","Crystal structure of 4-bromo-2-(1H-pyrazol-3-yl)phenol, C9H7BrN2O","Zeitschrift für Kristallographie - New Crystal Structures","2017","232","3","507","509","10.1515/ncrs-2016-0392","","","0.71073","MoKα","","0.065","0.045","","","0.0911","0.096","","","","","","1.066","","","","has coordinates","280594","2023-01-25","09:48:43",""
"8106588","4.4804","0.0006","11.7784","0.0012","16.7613","0.0016","90","","90","","90","","884.53","0.17","120","2","120","2","","","","","","","","2","P 21 21 21","P 2ac 2ab","19","","1,2,3,4,5-pentamethyl-1,3-cyclopentadiene","","- C10 H16 -","- C10 H16 -","- C40 H64 -","4","1","","Benda, Christian; Klein, Wilhelm; Fässler, Thomas F.","Crystal structure of 1,2,3,4,5-pentamethyl-1,3-cyclopentadiene, C10H16","Zeitschrift für Kristallographie - New Crystal Structures","2017","232","3","511","512","10.1515/ncrs-2016-0402","","","0.71073","MoKα","","0.1162","0.036","","","0.0523","0.0596","","","","","","0.674","","","","has coordinates","280595","2023-01-25","09:51:41",""
"8106589","16.822","0.014","11.552","0.009","22.021","0.017","90","","91.92","0.013","90","","4277","6","296","2","296","2","","","","","","","","7","C 1 2/c 1","-C 2yc","15","","","","- C42 H40 Cl2 Mn N6 O10 S2 -","- C42 H40 Cl2 Mn N6 O10 S2 -","- C168 H160 Cl8 Mn4 N24 O40 S8 -","4","0.5","","Chen, Xiao-Miao; Liu, Zheng-Jun; Deng, Tao-Li","Crystal structure of poly[diaqua-(μ2-4,4′-bipyridine-κ2 N:N′)manganese(II)] bis(4-chlorobenzenesulfonate) – 4,4′-bipyridine – water (1/1/2) C42H40Cl2MnN6O10S2","Zeitschrift für Kristallographie - New Crystal Structures","2017","232","4","513","515","10.1515/ncrs-2016-0247","","","0.71073","MoKα","","0.0829","0.0641","","","0.1533","0.1654","","","","","","1.137","","","","has coordinates","280596","2023-01-25","09:57:26",""
"8106590","18.91","0.003","8.572","0.0014","16.757","0.003","90","","100.474","0.002","90","","2671","0.8","296","2","296","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C29 H16 F6 N2 S2 -","- C29 H16 F6 N2 S2 -","- C116 H64 F24 N8 S8 -","4","0.5","","Lei, Luo-Na; Xu, Wen-Yuan; Yi, Jian-Min","The crystal structure of 1,2-bis[2-methyl-5-(3-cyanophenyl)-3-thienyl]-3,3,4,4,5,5-hexafluoro-cyclopent-1-ene, C29H16F6N2S2","Zeitschrift für Kristallographie - New Crystal Structures","2017","232","4","517","519","10.1515/ncrs-2016-0249","","","0.71073","MoKα","","0.1304","0.0825","","","0.1625","0.1833","","","","","","1.143","","","","has coordinates,has disorder","280597","2023-01-25","10:00:23",""
"8106591","9.9625","0.0005","14.0145","0.0007","11.3376","0.0006","90","","97.602","0.002","90","","1569.04","0.14","200","2","200","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C8 H18 Cu Na2 O11 -","- C8 H18 Cu Na2 O11 -","- C32 H72 Cu4 Na8 O44 -","4","1","","Ali, Syed Saeed; Amer, Alanazi; Al-Obaid, Abdul-Rahman M.; Hosten, Eric C.; Betz, Richard; Al-Salem, Huda Salem; Bari, Ahmed","Crystal structure of the first characterized polymeric copper and sodium complex diaqua-(tris-acetato-κO,O′)(μ2-acetato-κO′′)dinatrium copper(II) monohydrate, C8H18CuNa2O11","Zeitschrift für Kristallographie - New Crystal Structures","2017","232","4","521","523","10.1515/ncrs-2016-0255","","","0.71073","MoKα","","0.0201","0.0178","","","0.0472","0.0482","","","","","","1.043","","","","has coordinates","280598","2023-01-25","10:03:38",""
"8106592","8.1226","0.0005","17.4745","0.001","11.1822","0.0006","90","","102.549","0.002","90","","1549.27","0.15","173","2","173","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","(E)-2,6-diisopropyl-N-(pyridin-3-ylmethylene)aniline","","- C18 H22 N2 -","- C18 H22 N2 -","- C72 H88 N8 -","4","1","","Njogu, Eric M.; Omondi, Bernard; Nyamori, Vincent O.","The crystal structure of the Schiff base (E)-2,6-diisopropyl-N-(pyridin-3-yl-methylene)aniline, C18H22N2","Zeitschrift für Kristallographie - New Crystal Structures","2017","232","4","525","526","10.1515/ncrs-2016-0267","","x-ray","0.71073","MoKα","","0.044","0.0397","","","0.1031","0.1071","","","","","","1.039","","","","has coordinates","280599","2023-01-25","10:12:20",""
"8106593","16.624","0.006","16.624","0.006","14.385","0.006","90","","90","","90","","3975","3","296","2","296","2","","","","","","","","4","P -4 21 c","P -4 2n","114","","","","- C20 H22 N2 O5 -","- C20 H28 N2 O5 -","- C160 H224 N16 O40 -","8","1","","Meng, Jing; Zhou, Hai-Yu; Sui, Feng","Crystal structure of methyl 2,7,7-trimethyl-4-(4-nitrophenyl)-5-oxo-1,4,5,6,7,8-hexahydro-quinoline-3-carboxylate, C20H22N2O5","Zeitschrift für Kristallographie - New Crystal Structures","2017","232","4","527","528","10.1515/ncrs-2016-0282","","","0.71073","MoKα","","0.0976","0.0647","","","0.1886","0.2119","","","","","","1.105","","","","has coordinates,has disorder","280600","2023-01-25","10:14:51",""
"8106594","11.7859","0.001","12.89","0.0011","18.8971","0.0017","109.742","0.002","92.891","0.001","100.998","0.001","2631.9","0.4","298","2","298","2","","","","","","","","7","P -1","-P 1","2","","","","- C55.5 H54 Ag F3 O3.5 P4 S -","- C55.5 H54 Ag F3 O3.5 P4 S -","- C111 H108 Ag2 F6 O7 P8 S2 -","2","1","","Yu, Xiao; Li, Yue-Xue; Lin, Sen; Cui, Yang-Zhe; Jin, Qiong-Hua","Crystal structure of bis(1,3-bis(diphenylphosphino)propane-κ 2 P,P′)silver(I) trifluorosulfonate–methanol (1:0.5), [Ag(C27H26P2)]SO3CF3⋅0.5CH3OH","Zeitschrift für Kristallographie - New Crystal Structures","2017","232","4","529","531","10.1515/ncrs-2016-0284","","","0.71073","MoKα","","0.0588","0.0405","","","0.0974","0.1129","","","","","","1.039","","","","has coordinates,has disorder","280601","2023-01-25","10:17:53",""
"8106595","12.0546","0.0009","13.1669","0.001","16.7151","0.0012","90","","101.845","0.002","90","","2596.6","0.3","293","2","293","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C29 H28 Cu N3 O P -","- C29 H28 Cu N3 O P -","- C116 H112 Cu4 N12 O4 P4 -","4","1","","Zhang, Yan-Ru; Li, Zhi-Qiang; Liu, Min; Bi, Kai-Lun; Jin, Qiong-Hua","Crystal structure of μ-1,4-bis(diphenylphosphine)butane-2,9-dimethyl-1,10-phenanthroline-κ2 N:N′-bis(cyano-κC)dicopper(I)]-water, C58H56Cu2N6O2P2","Zeitschrift für Kristallographie - New Crystal Structures","2017","232","4","533","535","10.1515/ncrs-2016-0285","","","0.71073","MoKα","","0.0848","0.0539","","","0.1228","0.1431","","","","","","1.049","","","","has coordinates","280602","2023-01-25","10:21:00",""
"8106596","18.4956","0.0011","23.9806","0.0016","8.1572","0.0005","90","","90","","90","","3618","0.4","293","2","293","2","","","","","","","","4","A e a 2","A 2 -2ab","41","","","","- C15 H23 N7 O4 -","- C15 H23 N7 O4 -","- C120 H184 N56 O32 -","8","1","","Amr, Abd El-Galil E.; Khalifa, Nagy M.; Al-Omar, Mohamed A.; Ghabbour, Hazem A.","Crystal structure of N 2,N 6-bis(1-hydrazinyl-2-methyl-1-oxopropan-2-yl) pyridine-2,6-dicarboxamide, C15H23N7O4","Zeitschrift für Kristallographie - New Crystal Structures","2017","232","4","537","539","10.1515/ncrs-2016-0294","","","0.71073","MoKα","","0.1029","0.0521","","","0.0983","0.1144","","","","","","1.027","","","","has coordinates","280603","2023-01-25","10:24:01",""
"8106597","18.701","0.004","7.923","0.0016","24.069","0.006","90","","111.168","0.002","90","","3325.6","1.3","296","2","296.15","","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C19 H17 I N2 -","- C19 H17 I N2 -","- C152 H136 I8 N16 -","8","1","","Yuan, Lin; Li, Zhong-Yan; Yuan, Xian-You; Zhang, Min; Liu, Fang","Crystal structure of 1,3-dimethyl-2-phenyl-1H-perimidin-3-ium iodide, C19H17IN2","Zeitschrift für Kristallographie - New Crystal Structures","2017","232","4","541","543","10.1515/ncrs-2016-0302","","","0.71073","MoKα","","0.0213","0.0201","","","0.0454","0.0462","","","","","","1.092","","","","has coordinates","280604","2023-01-25","10:27:04",""
"8106598","9.5135","0.0003","9.8632","0.0003","11.1419","0.0004","83.239","0.001","82","0.001","61.461","0.001","907.93","0.05","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C14 H18 Cd N4 O11 -","- C14 H18 Cd N4 O11 -","- C28 H36 Cd2 N8 O22 -","2","1","","Li, Ya-Xue; Wen, Dong-Xiao; An, Meng-Jin; Yang, Huai-Xia","Crystal structure of diaqua-(2,2′-(butane-1,4-diyl)-bis(5-carboxy-1H-imidazole-4-carboxylato)-κ4 O,O′,N,N′)cadmium(II) monohydrate, C14H18O11N4Cd","Zeitschrift für Kristallographie - New Crystal Structures","2017","232","4","545","547","10.1515/ncrs-2016-0311","","","0.71073","MoKα","","0.0311","0.0288","","","0.0765","0.0781","","","","","","1.039","","","","has coordinates","280631","2023-01-27","09:12:45",""
"8106599","8.5995","0.0008","9.9579","0.0009","10.1418","0.001","113.49","0.001","95.873","0.001","96.161","0.001","781.81","0.13","100","2","100.15","","","","","","","","","6","P -1","-P 1","2","","","","- C15 H14 Cl2 F N O3 -","- C15 H14 Cl2 F N O3 -","- C30 H28 Cl4 F2 N2 O6 -","2","1","","Liao, Han-Xiao; Ying, Bei-Bei; Shen, Chao; Zhang, Peng-Fei","Crystal structure of ethyl (E)-3-(cyclopropylamino)-2-(2,4-dichloro-5-fluorobenzoyl) acrylate, C15H14Cl2FNO3","Zeitschrift für Kristallographie - New Crystal Structures","2017","232","4","549","551","10.1515/ncrs-2016-0320","","","0.71073","MoKα","","0.0344","0.0282","","","0.0753","0.0788","","","","","","1.06","","","","has coordinates,has disorder","280632","2023-01-27","09:17:32",""
"8106600","16.9304","0.0008","8.9706","0.0005","27.6764","0.0014","90","","96.701","0.001","90","","4174.7","0.4","296","2","296","2","","","","","","","","7","C 1 2/c 1","-C 2yc","15","","","","- C43 H31 Cl2 N5 O5 S2 Zn -","- C43 H31 Cl2 N5 O5 S2 Zn -","- C172 H124 Cl8 N20 O20 S8 Zn4 -","4","0.5","","Zhao, Chun-Xiang; Ding, Yong-Jie; Zhang, Heng-Qiang; Zhou, Chen-Ying; Wang, Quan-Zhong; Wang, Xin; Zhao, Hui; Chen, Ya-Hong; Xie, Jian-Ping; Wang, Yun-Sheng","Crystal structure of bis-(1-(4-chlorophenyl)-3-phenyl-4-thenoyl-1H-pyrazol-5-ol-κ2O,O′)-(N,N-dimethylformamide)zinc(II), C43H31Cl2N5O5S2Zn","Zeitschrift für Kristallographie - New Crystal Structures","2017","232","4","553","555","10.1515/ncrs-2016-0321","","","0.71073","MoKα","","0.0475","0.035","","","0.087","0.0935","","","","","","1.014","","","","has coordinates,has disorder","280633","2023-01-27","09:20:50",""
"8106601","10.918","0.014","11.899","0.015","13.327","0.017","91.286","0.013","91.755","0.014","111.673","0.013","1607","4","296","2","296","2","","","","","","","","6","P -1","-P 1","2","","","","- C17 H44 Cl4 Co4 N4 O9 -","- C17 H44 Cl4 Co4 N4 O9 -","- C34 H88 Cl8 Co8 N8 O18 -","2","1","","Yuhua, Guo; Youzhu, Yu; Weiyun, Shi; Aimin, Wei; Fengli, Wang","Crystal structure of tetrakis(μ3-2-(N-(2-hydroxyethyl)amino)ethoxo)-tetrachloro-tetra-cobalt(II) methanol solvate, C17H44Cl4Co4N4O9","Zeitschrift für Kristallographie - New Crystal Structures","2017","232","4","557","559","10.1515/ncrs-2016-0324","","","0.71073","MoKα","","0.043","0.0308","","","0.0988","0.1257","","","","","","1.221","","","","has coordinates","280634","2023-01-27","09:23:38",""
"8106602","8.6873","0.0003","9.9252","0.0003","11.0013","0.0003","77.977","0.002","70.989","0.002","89.321","0.002","875.55","0.05","296","2","296","2","","","","","","","","5","P -1","-P 1","2","","","","- C21 H15 Br N2 O2 -","- C21 H15 Br N2 O2 -","- C42 H30 Br2 N4 O4 -","2","1","","Mohamed, Hany M.; Amr, Abd El-Galil E.; El-Agrody, Ahmed M.; Al-Omar, Mohamed A.; Ghabbour, Hazem A.","Crystal structure of 3-amino-1-(4-bromophenyl)-9-methoxy-1H-benzo[f]chromene-2-carbonitrile, C21H15BrN2O2","Zeitschrift für Kristallographie - New Crystal Structures","2017","232","4","561","563","10.1515/ncrs-2016-0339","","","1.54178","CuKα","","0.0427","0.0369","","","0.1004","0.1043","","","","","","1.02","","","","has coordinates","280635","2023-01-27","09:27:46",""
"8106603","14.8532","0.0007","11.3579","0.0006","22.1712","0.0018","90","","90","","90","","3740.3","0.4","293","2","293","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C22 H18 N2 O3 -","- C22 H18 N2 O3 -","- C176 H144 N16 O24 -","8","1","","Zhang, Chang-Hu","Crystal structure of 2-amino-4-(4-isopropyl-phenyl)-3-cyano-5-oxo-4H,5H-pyrano[3,2-c]chromene, C22H18N2O3","Zeitschrift für Kristallographie - New Crystal Structures","2017","232","4","565","566","10.1515/ncrs-2016-0340","","","0.71073","MoKα","","0.0907","0.0596","","","0.144","0.1653","","","","","","1.04","","","","has coordinates,has disorder","280636","2023-01-27","09:50:43",""
"8106604","35.4037","0.001","6.0294","0.0002","20.1702","0.0007","90","","122.239","0.004","90","","3641.8","0.3","296","2","296","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C22 H18 N2 O3 -","- C22 H18 N2 O3 -","- C176 H144 N16 O24 -","8","1","","Fouda, Ahmed M.; Amr, Abd El-Galil E.; El-Agrody, Ahmed M.; Al-Omar, Mohamed A.; Ghabbour, Hazem A.","Crystal structure of 3-amino-8-methoxy-1-(4-methoxy phenyl)-1H-benzo[f]chromene-2-carbonitrile, C22H18N2O3","Zeitschrift für Kristallographie - New Crystal Structures","2017","232","4","567","569","10.1515/ncrs-2016-0341","","","1.54178","CuKα","","0.0833","0.0482","","","0.119","0.1406","","","","","","0.91","","","","has coordinates","280637","2023-01-27","09:54:37",""
"8106605","22.593","0.007","7.22","0.002","26.225","0.008","90","","90","","90","","4278","2","296","2","296","2","","","","","","","","6","P b c a","-P 2ac 2ab","61","","","","- C20 H12 Br2 N4 O7 Zn -","- C20 H12 Br2 N4 O7 Zn -","- C160 H96 Br16 N32 O56 Zn8 -","8","1","","Hong, Yong; Xu, Shijuan; Liu, Wei","Crystal structure of monoaqua-[6,6′-((1E,1′E)-(1,2-phenylene bis(azanylylidene))bis(methanylylidene))bis(4-bromo-2-nitrophenolato-κ4 N,N′,O,O′)]zinc(II), C20H12Br2N4O7Zn","Zeitschrift für Kristallographie - New Crystal Structures","2017","232","4","571","572","10.1515/ncrs-2016-0343","","","0.71073","MoKα","","0.1449","0.0757","","","0.1513","0.1666","","","","","","1.004","","","","has coordinates","280638","2023-01-27","10:22:16",""
"8106606","8.44861","0.00004","17.00722","0.00009","20.1555","0.0001","90","","90","","90","","2896.09","0.03","150","2","150","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C33 H41 N3 O2 -","- C33 H41 N3 O2 -","- C132 H164 N12 O8 -","4","1","","Xu, Juan; Li, Peng; Wang, Hui P.; Ning, Li F.","Crystal structure of 11-(4-(dimethylamino)phenyl)-17-hydroxy-13-methyl-17-(prop-1-yn-1-yl)-1,2,6,7,8,11,12,13,14,15,16,17-dodecahydro-3H-cyclopenta[a]phenanthren-3-one – acetonitril (1/2), C33H41N3O2","Zeitschrift für Kristallographie - New Crystal Structures","2017","232","4","573","575","10.1515/ncrs-2016-0344","","","1.54178","CuKα","","0.0355","0.0347","","","0.0924","0.0934","","","","","","1.046","","","","has coordinates,has disorder","280639","2023-01-27","10:26:15",""
"8106607","9.5337","0.001","10.7168","0.0011","11.5675","0.0011","90","","90","","90","","1181.9","0.2","100","2","100","2","","","","","","","","5","P n a 21","P 2c -2n","33","","","","- C11 H15 N O3 S -","- C11 H15 N O3 S -","- C44 H60 N4 O12 S4 -","4","1","","Makam, Parameshwar; Samipillai, Marivel; Kruger, Hendrick G.; Govender, Thavendran; Naicker, Tricia","Crystal structure of tert-butyl (phenylsulfinyl)carbamate, C11H15NO3S","Zeitschrift für Kristallographie - New Crystal Structures","2017","232","4","577","578","10.1515/ncrs-2016-0345","","","0.71073","MoKα","","0.0254","0.0252","","","0.0687","0.0689","","","","","","1.074","","","","has coordinates","280648","2023-01-28","08:32:40",""
"8106608","12.3765","0.0007","12.7299","0.0008","12.5812","0.0007","90","","91.024","0.006","90","","1981.9","0.2","293","","293","","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C18 H18 Cu N6 O7 -","- C18 H18 Cu N6 O7 -","- C72 H72 Cu4 N24 O28 -","4","1","","Wang, Jian-Ge","Crystal structure of catena-poly{diaqua-bis(3-(1H-1,2,4-triazol-1-yl)benzoato-κ2 O:N)copper(II)} monohydrate, C18H18CuN6O7","Zeitschrift für Kristallographie - New Crystal Structures","2017","232","4","579","580","10.1515/ncrs-2016-0350","","x-ray","0.71073","MoKα","","0.0519","0.04","","","0.1005","0.1081","","","","","","1.104","","","","has coordinates","280649","2023-01-28","08:35:16",""
"8106609","22.012","0.002","6.8972","0.0012","13.234","0.002","90","","91.137","0.011","90","","2008.8","0.5","293","","293","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C18 H20 Co N6 O8 -","- C18 H20 Co N6 O8 -","- C72 H80 Co4 N24 O32 -","4","1","","Wang, Jian-Ge","Crystal structure of tetraaqua-bis(3-(4H-1,2,4-triazol-4-yl)benzoato-κN)cobalt(II), C18H20CoN6O8","Zeitschrift für Kristallographie - New Crystal Structures","2017","232","4","581","583","10.1515/ncrs-2016-0351","","x-ray","0.71073","MoKα","","0.0753","0.0436","","","0.0985","0.1078","","","","","","1.03","","","","has coordinates","280650","2023-01-28","08:39:26",""
"8106610","7.5277","0.0006","8.373","0.0007","9.8785","0.0009","92.637","0.003","111.201","0.002","105.856","0.002","551.08","0.08","273","2","273","2","","","","","","","","7","P -1","-P 1","2","","","","- C9 H8 Br F2 N O2 S -","- C9 H8 Br F2 N O2 S -","- C18 H16 Br2 F4 N2 O4 S2 -","2","1","","Liu, Li; Wu, Ming-Yuan; Huang, Chao; Teng, Ming-Gang; Cao, Jian-Xin","The crystal structure of 4-bromo-N-cyclopropyl-2,5-difluorobenzenesulfonamide, C9H8BrF2NO2S","Zeitschrift für Kristallographie - New Crystal Structures","2017","232","4","585","586","10.1515/ncrs-2016-0352","","","0.71073","MoKα","","0.0444","0.033","","","0.0741","0.0787","","","","","","1.054","","","","has coordinates","280651","2023-01-28","08:42:35",""
"8106611","25.806","0.002","9.3041","0.0003","18.0702","0.0017","90","","130.346","0.015","90","","3306.7","0.8","296","2","296","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C37 H35 Ag2 N5 O6 -","- C37 H35 Ag2 N5 O6 -","- C148 H140 Ag8 N20 O24 -","4","0.5","","Fan, Hui-Tao; Zhong, Zhi-Guo; Yang, Yu-Han; Zhao, Ling","Crystal structure of ([3,3′-bipyridine]-6,6′-dicarboxylato-κ2 O:O′)-bis(1,2-bis(4-pyridyl)ethane-κ2 N:N′)disilver(I) dihydrate, C37H35Ag2N5O6","Zeitschrift für Kristallographie - New Crystal Structures","2017","232","4","587","589","10.1515/ncrs-2016-0355","","","0.71073","MoKα","","0.0744","0.0473","","","0.0891","0.0983","","","","","","1.001","","","","has coordinates,has disorder","280652","2023-01-28","08:45:06",""
"8106612","12.9022","0.0012","8.9088","0.0008","15.3383","0.0014","90","","106.81","0.003","90","","1687.7","0.3","296","2","296","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C18 H13 Ag N6 O4 -","- C18 H13 Ag N6 O4 -","- C72 H52 Ag4 N24 O16 -","4","0.5","","Sun, Chuan-Bo; Fu, Ai-Yun; Jin, Jun-Cheng; Zhang, Yue-Hua","The crystal structure of (4-(1H-1,2,4-triazol-1-yl)benzoato-κN)-[4-(1H-1,2,4-triazol-1-yl)benzoic acid-κN]silver(I), C18H13AgN6O4","Zeitschrift für Kristallographie - New Crystal Structures","2017","232","4","591","592","10.1515/ncrs-2016-0356","","","0.71073","MoKα","","0.0268","0.0247","","","0.0588","0.06","","","","","","1.074","","","","has coordinates","280653","2023-01-28","08:47:43",""
"8106613","11.6963","0.0012","11.1187","0.0008","11.6902","0.001","90","","115.545","0.007","90","","1371.7","0.2","293","2","293","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C17 H16 O2 -","- C17 H16 O2 -","- C68 H64 O8 -","4","1","","Köysal, Yavuz; Bülbül, Hakan; Özdemir, Funda; İlhan, İlhan Özer; Dege, Necmi","Crystal structure of 3-(4-methoxyphenyl)-1-(4-methylphenyl)prop-2-en-1-one, C17H16O2","Zeitschrift für Kristallographie - New Crystal Structures","2017","232","4","593","594","10.1515/ncrs-2016-0357","","","0.71073","MoKα","","0.08","0.035","","","0.0762","0.0865","","","","","","0.807","","","","has coordinates","280654","2023-01-28","08:58:52",""
"8106614","10.751","0.0012","6.4718","0.0007","24.254","0.002","90","","101.99","0.01","90","","1650.7","0.3","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C36 H38 Cu N4 O6 -","- C36 H38 Cu N4 O6 -","- C72 H76 Cu2 N8 O12 -","2","0.5","","Zhao, Li; An, Qin-Qin; Zhao, Ji-Xing; Li, Peng-Peng; Wang, Fei","Crystal structure of bis(2-((E)-((4-((E)-1-(ethoxyimino)ethyl)phenyl)imino)methyl)-5-methoxyphenolato-κ2 O,N)copper(II), C36H38CuN4O6","Zeitschrift für Kristallographie - New Crystal Structures","2017","232","4","595","597","10.1515/ncrs-2016-0358","","x-ray","1.54184","CuKα","","0.0672","0.0525","","","0.1519","0.1621","","","","","","1.134","","","","has coordinates","280655","2023-01-28","09:19:46",""
"8106615","11.424","0.007","16.14","0.009","6.506","0.004","90","","97.897","0.014","90","","1188.2","1.2","293","2","293","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C6 H10 Ag Br N6 O4 -","- C6 H10 Ag Br N6 O4 -","- C24 H40 Ag4 Br4 N24 O16 -","4","1","","Cui, Yanfeng; Zhang, Xiangfei; Dong, Yaping; Li, Wu","Crystal structure of poly[1,2-bis(1,2,4-triazol-4-yl)ethane-κ2 N:N′]silver(I) bromate monohydrate]silver(I), C6H10AgBrN6O4","Zeitschrift für Kristallographie - New Crystal Structures","2017","232","4","599","601","10.1515/ncrs-2016-0364","","","0.7107","MoKα","","0.0583","0.0473","","","0.111","0.1177","","","","","","1.095","","","","has coordinates","280656","2023-01-28","10:10:46",""
"8106616","14.2789","0.0004","27.3722","0.0009","13.0126","0.0004","90","","101.805","0.002","90","","4978.3","0.3","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C27 H19 N5 O5 S -","- C27 H19 N5 O5 S -","- C216 H152 N40 O40 S8 -","8","2","","Ghabbour, Hazem A.; AlRuqi, Obaid S.; Mostafa, Gamal A. E.","The crystal structure of 2,3,5-triphenyl-2,3-dihydro-1H-tetrazol-1-ium 2,3-dioxoindoline-5-sulfonate, C27H19N5O5S","Zeitschrift für Kristallographie - New Crystal Structures","2017","232","4","603","605","10.1515/ncrs-2016-0366","","","1.54178","CuKα","","0.1764","0.0809","","","0.1418","0.1705","","","","","","1.178","","","","has coordinates","280660","2023-01-30","09:58:40",""
"8106617","9.5686","0.0007","12.3795","0.0009","14.7854","0.0011","93.844","0.002","106.344","0.002","110.816","0.002","1543.4","0.2","300","2","300","2","","","","","","","","5","P -1","-P 1","2","","","","- C15 H15 N3 O3 Se -","- C15 H15 N3 O3 Se -","- C60 H60 N12 O12 Se4 -","4","2","","Alias, Nurul Zawani; Ahmad, Wan Yaacob Wan; Hassan, Nurul Izzaty; Yamin, Bohari M.; Ngatiman, Mohammad Fadzlee","Crystal structure of 3-(2-amino-1,3-selenazol-4-yl)-2H-chromen-2-one – dimethylformamide (1/1), C15H15N3O3Se","Zeitschrift für Kristallographie - New Crystal Structures","2017","232","4","607","609","10.1515/ncrs-2016-0368","","","0.71073","MoKα","","0.1091","0.0489","","","0.0877","0.1066","","","","","","1.036","","","","has coordinates","280661","2023-01-30","10:02:13",""
"8106618","5.2291","0.0002","10.5932","0.0004","15.3775","0.0006","90","","96.619","0.002","90","","846.13","0.06","296","2","296","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C9 H9 N O2 -","- C9 H9 N O2 -","- C36 H36 N4 O8 -","4","1","","Yongsheng, Niu; Youzhu, Yu; Aimin, Wei; Nana, Liu; Fengli, Wang","Crystal structure of diethyl 3,3′-(diazene-1,2-diyl)(E)-dibenzoate, C18H18N2O4","Zeitschrift für Kristallographie - New Crystal Structures","2017","232","4","611","612","10.1515/ncrs-2016-0372","","","0.71073","MoKα","","0.0521","0.0479","","","0.1438","0.1501","","","","","","1.056","","","","has coordinates","280662","2023-01-30","10:09:15",""
"8106619","14.935","0.003","8.5054","0.0017","16.268","0.003","90","","109.45","0.03","90","","1948.6","0.8","296","2","296","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C18 H16 N6 Ni O2 S2 -","- C18 H16 N6 Ni O2 S2 -","- C72 H64 N24 Ni4 O8 S8 -","4","0.5","","Yun, Zhang; Youzhu, Yu; Weiyun, Shi; Aimin, Wei; Fengli, Wang","Crystal structure of cis-bis((1H-benzimidazol-2-yl)methanol-κN,O)-bis(isothiocyanato-κ N)nickel(II), C18H16N6NiO2S2","Zeitschrift für Kristallographie - New Crystal Structures","2017","232","4","613","614","10.1515/ncrs-2016-0373","","","0.71073","MoKα","","0.026","0.0243","","","0.0656","0.0669","","","","","","1.064","","","","has coordinates","280663","2023-01-30","10:11:53",""
"8106620","9.3404","0.0004","19.8285","0.001","17.8985","0.0009","90","","103.301","0.005","90","","3226","0.3","293","","293","","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C36 H37 B N4 O6 -","- C36 H37 B N4 O6 -","- C144 H148 B4 N16 O24 -","4","0.5","","Yin, Guo-jie; Zhang, Bin","Crystal structure of bis(2-(2′-hydroxy-5′-methoxyphenyl)-1H-benzimidazole)boron – tetrahydrofuran (1/1), C36H37N4O6B","Zeitschrift für Kristallographie - New Crystal Structures","2017","232","4","615","617","10.1515/ncrs-2016-0377","","","0.71073","MoKα","","0.11","0.0626","","","0.1712","0.2086","","","","","","1.021","","","","has coordinates,has disorder","280664","2023-01-30","10:14:31",""
"8106621","12.073","0.004","14.704","0.004","8.763","0.003","90","","94.233","0.005","90","","1551.4","0.9","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C11 H11 Dy N4 O11 -","- C11 H11 Dy N4 O11 -","- C44 H44 Dy4 N16 O44 -","4","1","","Zhang, Qian; Li, Yue; Yu, Qiong-Yan","Crystal structure of poly[aqua-bis(nitrato-κ2 O,O′)-(μ3-1,3-benzimidazol-3-ium-1,3-diacetato-κ4 O,O′:O′′:O′′′)dysprosium(III)], C11H11DyN4O11","Zeitschrift für Kristallographie - New Crystal Structures","2017","232","4","619","621","10.1515/ncrs-2016-0379","","","0.71073","MoKα","","0.0236","0.0201","","","0.0538","0.0555","","","","","","1.039","","","","has coordinates","280665","2023-01-30","10:16:47",""
"8106622","10.7446","0.0003","13.6547","0.0004","26.5464","0.0009","90","","92.2375","0.0015","90","","3891.8","0.2","100","2","100","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C40 H75 Hf N3 -","- C40 H75 Hf N3 -","- C160 H300 Hf4 N12 -","4","1","","Adler, Christian; Schmidtmann, Marc; Beckhaus, Rüdiger","Crystal structure of n-butyl-tris(dicyclo-hexylamido)hafnium(IV), C40H75HfN3","Zeitschrift für Kristallographie - New Crystal Structures","2017","232","4","623","625","10.1515/ncrs-2016-0380","","","0.71073","MoKα","","0.0227","0.0195","","","0.0452","0.0461","","","","","","1.118","","","","has coordinates","280666","2023-01-30","10:20:27",""
"8106623","9.045","0.003","10.907","0.004","15.351","0.005","93.416","0.007","95.771","0.007","95.915","0.006","1495","0.9","293","2","293","2","","","","","","","","6","P -1","-P 1","2","","","","- C28 H20 Cl2 F2 N8 O8 -","- C28 H20 Cl2 F2 N8 O8 -","- C56 H40 Cl4 F4 N16 O16 -","2","1","","Liu, Gang; Hu, Yao-Dong; Wang, Yi-Han","Crystal structure of (E)-1-[1-(3-chloro-4-fluoro-phenyl)ethylidene]-2-(2,4-dinitrophenyl)hydrazine, C28H20Cl2F2N8O8","Zeitschrift für Kristallographie - New Crystal Structures","2017","232","4","627","629","10.1515/ncrs-2016-0381","","","0.71073","MoKα","","0.1542","0.0655","","","0.1779","0.194","","","","","","1.049","","","","has coordinates","280667","2023-01-30","10:23:00",""
"8106624","7.5445","0.0007","8.3326","0.0009","12.4291","0.001","94.468","0.008","91.063","0.007","116.644","0.01","695.01","0.13","291","2","291","2","","","","","","","","4","P -1","-P 1","2","","","","- C16 H17 N O3 -","- C16 H17 N O3 -","- C32 H34 N2 O6 -","2","1","","Salman, Mahmoud; Abu-Yamin, Abdel Aziz; Sarairah, Ibrahim; Ibrahim, Alhawarin; AlDamen, Murad A.","The crystal structure of ethyl 4-((2-hydroxybenzyl)amino)benzoate, a Schiff base, C16H17NO3","Zeitschrift für Kristallographie - New Crystal Structures","2017","232","4","631","632","10.1515/ncrs-2016-0383","","","0.71073","MoKα","","0.0712","0.0461","","","0.1071","0.124","","","","","","1.051","","","","has coordinates","280668","2023-01-30","10:25:43",""
"8106625","18.419","0.004","5.7524","0.0012","17.575","0.004","90","","117.267","0.003","90","","1655.2","0.6","187","2","187","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C17 H22 N2 O3 -","- C17 H22 N2 O3 -","- C68 H88 N8 O12 -","4","1","","Wang, Shi-Han; Jin, Xiang-Qun; Wang, Yan-Wei; Wang, Yong-Sheng","Crystal structure of 3-(2-(4-isobutylphenyl)propanoyl)-1-methylimidazolidine-2,4-dione, C17H22N2O3","Zeitschrift für Kristallographie - New Crystal Structures","2017","232","4","633","635","10.1515/ncrs-2016-0384","","","0.71073","MoKα","","0.1158","0.0724","","","0.1651","0.1899","","","","","","1.029","","","","has coordinates,has disorder","280669","2023-01-30","10:27:43",""
"8106626","10.0546","0.0004","10.7329","0.0005","6.9044","0.0007","90","","99.255","0.006","90","","735.39","0.09","293","2","293","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C6 H5 Ag N2 O2 S -","- C6 H5 Ag N2 O2 S -","- C24 H20 Ag4 N8 O8 S4 -","4","1","","Fan, Hui-Tao; Qi, Shu-Guang; Liu, Shan-Shan; Zhao, Ling","Crystal structure of poly[(μ3-2-(pyrazin-2-ylthio)acetato-κ3 N:O:S)silver(I)], C6H5AgN2O2S","Zeitschrift für Kristallographie - New Crystal Structures","2017","232","4","637","638","10.1515/ncrs-2016-0385","","","0.71073","MoKα","","0.0566","0.0422","","","0.0897","0.0967","","","","","","1.034","","","","has coordinates","280670","2023-01-30","10:30:39",""
"8106627","21.8152","0.0018","4.3629","0.0002","22.0099","0.0012","90","","106.951","0.006","90","","2003.8","0.2","173","0.1","173","0.1","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C26 H22 N2 O2 -","- C26 H22 N2 O2 -","- C104 H88 N8 O8 -","4","1","","Wang, Yan-Bin; Su, Qiong","Crystal structure of (E)-1-(3-((E)-((2-hydroxynaphthalen-1-yl)methylene)amino)phenyl)ethanone O-benzyl oxime, C26H22N2O2","Zeitschrift für Kristallographie - New Crystal Structures","2017","232","4","639","641","10.1515/ncrs-2016-0387","","x-ray","0.71073","MoKα","","0.0667","0.0639","","","0.1012","0.1555","","","","","","1.077","","","","has coordinates,has disorder","280671","2023-01-30","10:33:25",""
"8106628","4.6318","0.0011","13.472","0.003","27.12","0.007","90","","91.081","0.005","90","","1692","0.7","296","2","296","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C17 H20 N2 O7 -","- C17 H20 N2 O7 -","- C68 H80 N8 O28 -","4","1","","Zheng, Shan-Shan; Zhao, Qing; Zhang, Yang; Dong, Wen-Kui","Crystal structure of (E)-2,3-dihydroxybenzaldehydeO-(2-((((E)-1-(2,5-dihydroxyphenyl)ethylidene)amino)oxy)ethyl) oxime monohydrate, C17H20N2O7","Zeitschrift für Kristallographie - New Crystal Structures","2017","232","4","643","645","10.1515/ncrs-2016-0388","","","0.71073","MoKα","","0.1009","0.0637","","","0.1152","0.1297","","","","","","1.03","","","","has coordinates","280689","2023-01-31","08:40:09",""
"8106629","7.5316","0.0007","17.0508","0.0015","14.108","0.0013","90","","100.605","0.001","90","","1780.8","0.3","298","2","298","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C8 H6 Cl N O4 -","- C8 H6 Cl N O4 -","- C64 H48 Cl8 N8 O32 -","8","2","","Linxin, Deng; Hui, Liu; Song, Li","Crystal structure of 4-(chloromethyl)-3-nitrobenzoic acid, C8H6ClNO4","Zeitschrift für Kristallographie - New Crystal Structures","2017","232","4","647","648","10.1515/ncrs-2016-0389","","","0.71073","MoKα","","0.102","0.0562","","","0.1357","0.1692","","","","","","1.042","","","","has coordinates,has disorder","280690","2023-01-31","08:51:17",""
"8106630","9.2279","0.0008","10.2275","0.0009","13.0749","0.0012","73.91","0.002","79.621","0.002","72.216","0.002","1122.82","0.17","130","","130","","","","","","","","","5","P -1","-P 1","2","","","","- C27 H31 N O S -","- C27 H31 N O S -","- C54 H62 N2 O2 S2 -","2","1","","Wang, Limin; Yu, Shasha; Liu, Shenggao","Crystal stucture of 4-((10H-phenothiazin-10-yl)methyl)-2,6-di-tert-butylphenol, C27H31NOS","Zeitschrift für Kristallographie - New Crystal Structures","2017","232","4","649","650","10.1515/ncrs-2016-0391","","","0.71073","MoKα","","0.0511","0.0393","","","0.0989","0.1072","","","","","","1.038","","","","has coordinates","280691","2023-01-31","09:07:26",""
"8106631","7.0524","0.0014","7.8044","0.0016","12.954","0.003","97.93","0.03","96.29","0.03","100.11","0.03","688.6","0.3","200","2","200","2","","","","","","","","5","P -1","-P 1","2","","","","- C13 H10 F3 N3 O4 -","- C13 H10 F3 N3 O4 -","- C26 H20 F6 N6 O8 -","2","1","","Jaćimović, Željko K.; Kosović, Milica; Bogdanović, Goran A.; Novaković, Sladjana B.; Giester, Gerald; Bigović, Miljan","The crystal structure of ethyl 1-(4-nitrophenyl)-5-(trifluoromethyl)-1H-pyrazole-4-carboxylate, C13H10F3N3O4","Zeitschrift für Kristallographie - New Crystal Structures","2017","232","4","651","653","10.1515/ncrs-2016-0393","","","0.71073","MoKα","","0.0865","0.0457","","","0.1105","0.1295","","","","","","1.049","","","","has coordinates","280694","2023-01-31","09:18:17",""
"8106632","7.3053","0.0007","8.7683","0.0009","11.615","0.0012","87.578","0.002","74.49","0.002","71.912","0.002","680.8","0.12","296","2","296","2","","","","","","","","5","P -1","-P 1","2","","","","- C8 H6 Mo2 N8 O6 -","- C8 H6 Mo2 N8 O6 -","- C16 H12 Mo4 N16 O12 -","2","1","","Zhang, Lei; Nie, Cong-Kui; Zhao, Dan","Crystal structure of catena-poly[di-(μ3-oxido-κ3 O:O:O)-tetraoxido-(μ2-5′-(pyrazin-2-yl)-1H,2′H-3,3′-bi(1,2,4-triazole)-κ2 N:N′)dimolybdenum(VI)], C8H6Mo2N8O6","Zeitschrift für Kristallographie - New Crystal Structures","2017","232","4","655","656","10.1515/ncrs-2016-0394","","","0.71073","MoKα","","0.0702","0.0454","","","0.0968","0.11","","","","","","1.075","","","","has coordinates","280695","2023-01-31","09:21:29",""
"8106633","11.47","0.002","16.221","0.003","11.548","0.002","90","","91.03","0.03","90","","2148.2","0.7","123","2","123","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C42 H38 F12 N8 O4 P2 Zn2 -","- C42 H38 F12 N8 O4 P2 Zn2 -","- C84 H76 F24 N16 O8 P4 Zn4 -","2","0.5","","Nan, Li; Li-Fang, Zhang; Yun, Zhao","Crystal structure of (3,6-dioxocyclohexa-1,4-diene-1,4-bis(olato)-κ4 O,O′:O′′,O′′′)-bis(tris(2-pyridylmethyl)amine-κ4 N,N′,N′′,N′′′))-dizinc(II) bis(hexafluorophosphate(V)), C42H38F12N8O4P2Zn2","Zeitschrift für Kristallographie - New Crystal Structures","2017","232","4","657","659","10.1515/ncrs-2016-0397","","","0.71073","MoKα","","0.0387","0.0365","","","0.0886","0.0905","","","","","","1.038","","","","has coordinates","280696","2023-01-31","09:24:33",""
"8106634","9.1889","0.0006","9.3226","0.0009","12.8605","0.0011","79.231","0.008","73.223","0.007","89.228","0.007","1035.26","0.16","293","2","293","2","","","","","","","","4","P -1","-P 1","2","","","","- C48 H42 Mn3 O12 -","- C48 H42 Mn3 O12 -","- C48 H42 Mn3 O12 -","1","0.5","","Deng, Qian-jun; Chen, Dong-chu","Crystal structure of catena-poly[hexakis(μ2-2-acetylphenolato-κ3 O:O,O′)trimanganese(II)], C48H42Mn3O12","Zeitschrift für Kristallographie - New Crystal Structures","2017","232","4","661","663","10.1515/ncrs-2016-0399","","","0.71073","MoKα","","0.0734","0.0593","","","0.1508","0.1664","","","","","","1.076","","","","has coordinates","280698","2023-01-31","09:41:16",""
"8106635","13.236","0.004","18.566","0.005","4.7869","0.0013","90","","90","","90","","1176.3","0.6","296","2","296","2","","","","","","","","5","P 21 21 2","P 2 2ab","18","","2,2-difluoro-4-(trifluoromethyl)-2,5-dihydro-[1,3,2]dioxaborinino[5,4-c] chromen-3-ium-2-uide","","- C11 H6 B F5 O3 -","- C11 H6 B F5 O3 -","- C44 H24 B4 F20 O12 -","4","1","","Yu, Guang; bai, JinYuan; Hou, YanJun","The crystal structure of 2,2-difluoro-4-(trifluoromethyl)-2,5-dihydro-[1,3,2]dioxaborinino[5,4-c]chromen-3-ium-2-uide, C11H6BF5O3","Zeitschrift für Kristallographie - New Crystal Structures","2017","232","4","665","666","10.1515/ncrs-2016-0400","","","0.71073","MoKα","","0.0473","0.0409","","","0.1057","0.1117","","","","","","1.112","","","","has coordinates,has disorder","280699","2023-01-31","09:45:32",""
"8106636","11.594","0.005","11.311","0.005","11.688","0.005","90","","117.347","0.019","90","","1361.5","1","296","2","296","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C13 H19 N3 O3 -","- C13 H19 N3 O3 -","- C52 H76 N12 O12 -","4","1","","Lv, Lu-Ping; Lv, Wei-De; Rao, Jun-Feng; Chen, Jia-Yi","Crystal structure of methyl (E)-2-(4-(diethylamino)-2-hydroxybenzylidene)hydrazine-1-carboxylate, C13H19N3O3","Zeitschrift für Kristallographie - New Crystal Structures","2017","232","4","667","668","10.1515/ncrs-2016-0401","","","0.71073","MoKα","","0.0627","0.0479","","","0.1413","0.163","","","","","","1.104","","","","has coordinates","280700","2023-01-31","09:48:12",""
"8106637","10.9501","0.0014","9.2193","0.0009","11.2149","0.0014","90","","103.648","0.004","90","","1100.2","0.2","173","2","173","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C10 H15 N3 O2 -","- C10 H15 N3 O2 -","- C40 H60 N12 O8 -","4","1","","Wang, Kun-Yan; Yang, Xiao-Li","The crystal structure of tert-butyl 2,6-dihydropyrrolo[3,4-c]pyrazole-5(4H)-carboxylate, C10H15N3O2","Zeitschrift für Kristallographie - New Crystal Structures","2017","232","4","669","670","10.1515/ncrs-2016-0403","","","0.71073","MoKα","","0.0759","0.0476","","","0.0944","0.1054","","","","","","1.049","","","","has coordinates","280701","2023-01-31","09:51:05",""
"8106638","9.2556","0.0004","12.5048","0.0005","15.735","0.0007","69.6151","0.0013","85.3502","0.0014","83.8861","0.0014","1695.51","0.13","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","","","- C42 H55 N Si Ti -","- C42 H55 N Si Ti -","- C84 H110 N2 Si2 Ti2 -","2","1","","Manßen, Manfred; Schmidtmann, Marc; Beckhaus, Rüdiger","Crystal structure of 1,1-bis(η 5-adamantylcyclopentadienyl)-3-phenyl-2-trimethylsilyl-2,3-dihydroisotitanazole, C42H55NSiTi","Zeitschrift für Kristallographie - New Crystal Structures","2017","232","4","671","673","10.1515/ncrs-2016-0404","","","0.71073","MoKα","","0.0408","0.0334","","","0.0845","0.0885","","","","","","1.051","","","","has coordinates","280702","2023-01-31","09:53:43",""
"8106639","6.7598","0.0009","10.1294","0.0013","18.386","0.003","78.536","0.007","83.758","0.008","76.55","0.008","1197.4","0.3","293","","293","","","","","","","","","4","P -1","-P 1","2","","","","- C28 H29 N3 O2 -","- C28 H29 N3 O2 -","- C56 H58 N6 O4 -","2","1","","Wang, Yujuan; Tao, Li; Cui, Suzhen; Liang, Zhu; Shi, Maojian; Zhou, Jinhui","Crystal structure of 2-(4-(2-(4-benzylpiperazin-1-yl)ethyl)benzyl)isoindoline-1,3-dione, C28H29N3O2","Zeitschrift für Kristallographie - New Crystal Structures","2017","232","4","675","676","10.1515/ncrs-2016-0405","","","1.54178","CuKα","","0.0743","0.0492","","","0.1256","0.1473","","","","","","1.082","","","","has coordinates","280703","2023-01-31","09:56:14",""
"8106640","9.4973","0.0008","12.842","0.0011","15.305","0.0015","90","","103.468","0.004","90","","1815.3","0.3","173","2","173","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C18 H21 F N4 O4 -","- C18 H21 F N4 O4 -","- C72 H84 F4 N16 O16 -","4","1","","Wang, Kun-Yan; Yang, Xiao-Li","Important impurity of Flupirtine – a single crystal study on ethyl (6-amino-5-((ethoxycarbonyl)amino)pyridin-2-yl)(4-fluorobenzyl)carbamate, C18H21FN4O4","Zeitschrift für Kristallographie - New Crystal Structures","2017","232","4","677","678","10.1515/ncrs-2016-0406","","","0.71073","MoKα","","0.1008","0.0525","","","0.0894","0.1049","","","","","","1.04","","","","has coordinates,has disorder","280704","2023-01-31","09:59:13",""
"8106641","7.592","0.002","9.835","0.003","13.579","0.004","86.6","0.003","83.755","0.003","89.549","0.003","1006.1","0.5","273.15","","273.15","","","","","","","","","4","P -1","-P 1","2","","","","- C22 H22 N2 O5 -","- C22 H22 N2 O5 -","- C44 H44 N4 O10 -","2","1","","Zhou, Jinhui; Zheng, Liangwen; Liu, Jing; Guo, Yongen; Ding, Lin","Crystal structure of ethyl 3-(4-methoxyphenyl)-1-(2-(4-methoxyphenyl)-2-oxoethyl)-1H-pyrazole-5-carboxylate, C22H22N2O5","Zeitschrift für Kristallographie - New Crystal Structures","2017","232","4","679","680","10.1515/ncrs-2016-0408","","","0.71073","MoKα","","0.0586","0.0495","","","0.1348","0.1441","","","","","","1.053","","","","has coordinates","280705","2023-01-31","10:02:10",""
"8106642","12.039","0.008","12.353","0.009","12.938","0.009","102.786","0.003","111.865","0.006","105.173","0.007","1610.6","1.9","293","2","293","2","","","","","","","","4","P -1","-P 1","2","","2,3,9,10-tetramethoxy-5,6-dihydroisoquinolino[2,1-b] isoquinolin-7-ium 5,7-Dihydroxy-3-(4-hydroxyphenyl) -4H-chromen-4-one methanol solvate","","- C37 H35 N O10 -","- C37 H35 N O10 -","- C74 H70 N2 O20 -","2","1","","Zhang, Yanjie; Lou, Benyong; Huang, Yali; Zheng, Guocai; Lin, Qi","Crystal structure of 2,3,9,10-tetramethoxy-5,6-dihydroisoquinolino[2,1-b]isoquinolin-7-ium 5-hydroxy-3-(4-hydroxyphenyl)-4-oxo-4H-chromen-7-olate methanol solvate, C37H35N1O10","Zeitschrift für Kristallographie - New Crystal Structures","2017","232","4","681","683","10.1515/ncrs-2016-0412","","","0.71073","MoKα","","0.1032","0.0567","","","0.1171","0.1392","","","","","","1.041","","","","has coordinates","280721","2023-02-01","08:31:58",""
"8106643","5.4922","0.0003","7.4024","0.0005","17.5083","0.001","90","","90","","90","","711.81","0.07","150","2","150","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","2-[(aminoiminomethyl)amino]ethylcarbamic acid, inner salt","","- C4 H10 N4 O2 -","- C4 H10 N4 O2 -","- C16 H40 N16 O8 -","4","1","","Matulková, Irena; Charvátová, Hana; Císařová, Ivana; Štěpnička, Petr","The crystal structure of the inner salt of 2-[(aminoiminomethyl)amino]ethylcarbamic acid [systematic name: (2-((diaminomethylene)ammonio)ethyl)carbamate], C4H10N4O2","Zeitschrift für Kristallographie - New Crystal Structures","2017","232","4","685","687","10.1515/ncrs-2017-0003","","","0.71073","MoKα","","0.0522","0.0395","","","0.0873","0.0923","","","","","","1.037","","","","has coordinates","288183","2023-12-08","14:43:01",""
"8106644","21.009","0.009","9.474","0.004","9.747","0.004","90","","98.36","0.009","90","","1919.4","1.4","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C18 H13 Cl N4 O10 -","- C18 H13 Cl N4 O10 -","- C72 H52 Cl4 N16 O40 -","4","1","","Zhao, Ganlin","Crystal structure of (8-hydroxy-5-nitroquinolinium) perchlorate – 8-hydroxy-5-nitroquinoline (1/1), C18H13ClN4O10","Zeitschrift für Kristallographie - New Crystal Structures","2017","232","4","689","691","10.1515/ncrs-2017-0004","","","0.71073","MoKα","","0.084","0.056","","","0.1451","0.1752","","","","","","1.025","","","","has coordinates","280723","2023-02-01","08:48:19",""
"8106645","5.9035","0.0002","20.7111","0.0006","9.1403","0.0003","90","","90.0762","0.0016","90","","1117.57","0.06","150","2","150","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","(5-Methyl-1,2,4-oxadiazol-3-yl)ferrocene","","- C13 H12 Fe N2 O -","- C13 H12 Fe N2 O -","- C52 H48 Fe4 N8 O4 -","4","1","","Škoch, Karel; Císařová, Ivana; Štěpnička, Petr","The crystal structure of (5-methyl-1,2,4-oxadiazol-3-yl)ferrocene, C13H12FeN2O","Zeitschrift für Kristallographie - New Crystal Structures","2017","232","4","693","695","10.1515/ncrs-2017-0015","","","0.71073","MoKα","","0.035","0.0282","","","0.0629","0.0656","","","","","","1.047","","","","has coordinates","288183","2023-12-08","14:43:01",""
"8106646","5.939","0.0003","8.1581","0.0004","11.3823","0.0008","89.498","0.003","85.314","0.005","84.916","0.005","547.48","0.05","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C9 H13 F O5 S -","- C9 H13 F O5 S -","- C18 H26 F2 O10 S2 -","2","1","","Govender, Kimberleigh B.; Samipillai, Marivel; Govender, Thavendran; Kruger, Hendrik G.; Naicker, Tricia","Crystal structure of methyl 1-(2-(fluorosulfonyl)ethyl)-2-oxocyclopentanecarboxylate, C9H13FO5S","Zeitschrift für Kristallographie - New Crystal Structures","2017","232","4","697","698","10.1515/ncrs-2017-0016","","","0.71073","MoKα","","0.0325","0.0303","","","0.0792","0.0811","","","","","","1.034","","","","has coordinates","280725","2023-02-01","08:54:13",""
"8106647","3.8976","0.0006","5.7235","0.0008","6.267","0.001","89.63","0.012","84.8","0.013","76.97","0.013","135.63","0.04","104.8","","104.8","","","","","","","","","4","P 1","P 1","1","1-methyl-4-nitroimidzole","1-methyl-4-nitroimidzole","","- C4 H5 N3 O2 -","- C4 H5 N3 O2 -","- C4 H5 N3 O2 -","1","1","","Jianlong, Wang; Pengbao, Lian; Lizhen, Chen","Crystal structure of the triclinic modification of 1-methyl-4-nitroimidzole, C4H5N3O2","Zeitschrift für Kristallographie - New Crystal Structures","2017","232","4","699","700","10.1515/ncrs-2017-0020","","","0.7107","MoKα","","0.0534","0.0519","","","0.1277","0.1303","","","","","","1.063","","","","has coordinates","280726","2023-02-01","08:56:21",""
"8106648","7.2692","0.0004","10.5261","0.0005","20.9563","0.001","95.422","0.002","95.122","0.002","96.574","0.002","1577.69","0.14","173","2","173","2","","","","","","","","4","P -1","-P 1","2","","","","- C17 H20 N4 O2 -","- C17 H20 N4 O2 -","- C68 H80 N16 O8 -","4","2","","Wang, Kun-Yan; Yang, Xiao-Li","Crystal structure of 2-(2-ethoxyphenyl)-7-propyl-5-methylimidazo[5,1-f][1,2,4]triazin-4(3H)-one, C17H20N4O2","Zeitschrift für Kristallographie - New Crystal Structures","2017","232","5","703","705","10.1515/ncrs-2016-0333","","","0.71073","MoKα","","0.1013","0.057","","","0.11","0.1287","","","","","","1.048","","","","has coordinates","280727","2023-02-01","09:22:28",""
"8106649","7.9182","0.0008","11.7533","0.0012","22.7024","0.0019","90","","107.436","0.003","90","","2015.7","0.3","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C19 H16 Cu2 N6 O9 -","- C19 H16 Cu2 N6 O9 -","- C76 H64 Cu8 N24 O36 -","4","1","","Miao, Shao-Bin","Crystal structure of catena-poly[aqua-(μ3-1,3,5-benzenetricarboxylato-κ3 O:O′:O′′)-[μ3hydroxy-(1,3-di-(μ2-1,2,4-triazole-4-yl)benzoato-κ2 N:N′)copper(II)], C19H16Cu2N6O9","Zeitschrift für Kristallographie - New Crystal Structures","2017","232","5","707","709","10.1515/ncrs-2016-0348","","","0.71073","MoKα","","0.0466","0.0309","","","0.0629","0.0692","","","","","","0.999","","","","has coordinates","280728","2023-02-01","09:25:07",""
"8106650","3.821","0.0013","15.427","0.005","21.968","0.007","90","","90.275","0.004","90","","1294.9","0.7","296","2","296","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C11 H9 Ag N6 O3 -","- C11 H9 Ag N6 O3 -","- C44 H36 Ag4 N24 O12 -","4","1","","Miao, Shao-Bin","Crystal structure of poly[aqua-(μ3-3,5-di(4H-1,2,4-triazolyl-4-κ3 N,N′:N′′)benzenecarboxylato)silver(I)], C11H9AgN6O3","Zeitschrift für Kristallographie - New Crystal Structures","2017","232","5","711","712","10.1515/ncrs-2016-0349","","","0.71073","MoKα","","0.0606","0.0452","","","0.1047","0.1096","","","","","","1.155","","","","has coordinates","280729","2023-02-01","09:27:38",""
"8106651","8.9493","0.0003","15.247","0.0007","11.3846","0.0005","90","","93.824","0.003","90","","1549.97","0.11","296","2","296","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C13 H29 N O3 -","- C13 H29 N O3 -","- C52 H116 N4 O12 -","4","1","","Wang, Peizhi; Wang, Peiyu; Bai, Ming","Crystal structure of tetrapropylammonium hydrogen carbonate, C13H29NO3","Zeitschrift für Kristallographie - New Crystal Structures","2017","232","5","713","714","10.1515/ncrs-2016-0361","","","0.71073","MoKα","","0.0861","0.0501","","","0.1516","0.1849","","","","","","0.892","","","","has coordinates","280730","2023-02-01","09:30:48",""
"8106652","10.347","0.002","12.314","0.003","10.09","0.002","90","","93.967","0.003","90","","1282.5","0.5","296","2","296","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C20 H24 O17 Y2 -","- C20 H24 O17 Y2 -","- C40 H48 O34 Y4 -","2","0.5","","Liu, Qiu-Xia; Li, Guan-Feng","Crystal structure of poly[μ2-acetato-κ3-O,O′:O′)diaqua(μ3-isophthalato-κ4 O,O′:O′′:O′′′)yttrium(III)] monohydrate, C20H24O17Y2","Zeitschrift für Kristallographie - New Crystal Structures","2017","232","5","715","716","10.1515/ncrs-2016-0362","","","0.71073","MoKα","","0.0453","0.0292","","","0.0579","0.0637","","","","","","0.998","","","","has coordinates","280731","2023-02-01","09:33:54",""
"8106653","11.4564","0.0007","21.1547","0.0015","21.3475","0.0013","90","","95.192","0.005","90","","5152.5","0.6","293","2","293","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C48 H42 Cd3 Cl6 N18 -","- C48 H42 Cd3 Cl6 N18 -","- C192 H168 Cd12 Cl24 N72 -","4","0.5","","Bai, Ruo-Fei; Liu, Qiu-Xia","Crystal structure of catena-poly[dichlorido-(μ2-4-(1H-pyrazol-3-yl)-pyridine-κ2 N,N′)]cadmium(II), C48H42Cd3Cl16N18","Zeitschrift für Kristallographie - New Crystal Structures","2017","232","5","717","718","10.1515/ncrs-2016-0363","","","0.71073","MoKα","","0.1084","0.0381","","","0.0862","0.1154","","","","","","0.976","","","","has coordinates","280732","2023-02-01","09:39:23",""
"8106654","11.624","0.0009","12.9628","0.0011","10.5166","0.0009","90","","90","","90","","1584.6","0.2","296","2","296","2","","","","","","","","4","P 21 21 2","P 2 2ab","18","","","","- C30 H54 N2 O7 -","- C30 H54 N2 O7 -","- C60 H108 N4 O14 -","2","0.5","","Cheng, Di; Zai, Yanbing","Crystal structure of bis(tetraethylammonium) [1,1′-biphenyl]-2,2′-dicarboxylate trihydrate, C30H54N2O7","Zeitschrift für Kristallographie - New Crystal Structures","2017","232","5","719","720","10.1515/ncrs-2016-0365","","","0.71073","MoKα","","0.0445","0.0382","","","0.1083","0.1152","","","","","","1.052","","","","has coordinates","280733","2023-02-01","10:20:23",""
"8106655","11.415","0.0003","17.3038","0.0009","9.3802","0.0005","90","","104.701","0.004","90","","1792.15","0.15","293","2","293","2","","","","","","","","6","P 1 c 1","P -2yc","7","","","","- C30 H42 Ag2 N4 O12 S -","- C30 H42 Ag2 N4 O12 S -","- C60 H84 Ag4 N8 O24 S2 -","2","1","","Liu, Xue-Guo; Yan, Wei-Hong; Fan, Hui-Tao; Qin, Teng-Teng","Crystal structure of poly[(thiophene-3,4-dicarboxylato-κ1 O)bis[1,2-bis(4-pyridyl)ethane-κ2 N:N′]silver(I)] octahydrate, C30H42Ag2N4O12S","Zeitschrift für Kristallographie - New Crystal Structures","2017","232","5","721","723","10.1515/ncrs-2016-0369","","","0.71073","MoKα","","0.0381","0.032","","","0.0614","0.0638","","","","","","1.014","","","","has coordinates,has disorder","280745","2023-02-02","08:14:09",""
"8106656","28.123","0.003","7.0409","0.0007","14.1954","0.0015","90","","119.488","0.002","90","","2446.7","0.4","296","2","296","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C9 H13 Ag N4 O4 -","- C9 H13 Ag N4 O4 -","- C72 H104 Ag8 N32 O32 -","8","1","","Jin, Jun-Cheng; Fu, Ai-Yun; Sun, Chuan-Bo; Zhang, Yue-Hua","The crystal structure of amine-(4-(1H-1,2,4-triazol-1-yl)benzoato-κN)silver(I) dihydrate, C9H13AgN4O4","Zeitschrift für Kristallographie - New Crystal Structures","2017","232","5","725","726","10.1515/ncrs-2016-0370","","","0.71073","MoKα","","0.0217","0.0206","","","0.0551","0.0558","","","","","","1.084","","","","has coordinates","280746","2023-02-02","08:16:57",""
"8106657","7.2692","0.0003","20.5546","0.001","13.7394","0.0006","90","","90.001","0.001","90","","2052.88","0.16","173","","173","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C20 H15 Co2 N8 -","- C20 H15 Co2 N8 -","- C80 H60 Co8 N32 -","4","1","","Yin, Guojie; Zhang, Shaowen; Wang, Shimin; Zhang, Bin; Wang, Yingxiao","Crystal structure of poly[tetrakis(μ2-cyanido-κ2 N:O)-cyanido-tris(pyridine)dicobalt(II/III)], C20H15Co2N8","Zeitschrift für Kristallographie - New Crystal Structures","2017","232","5","727","728","10.1515/ncrs-2016-0382","","","0.71073","MoKα","","0.063","0.0415","","","0.0761","0.0822","","","","","","1.079","","","","has coordinates","280747","2023-02-02","08:25:57",""
"8106658","8.6148","0.0013","12.2201","0.0016","13.4807","0.0016","115.198","0.012","101.596","0.011","96.518","0.012","1225.8","0.3","173","0.1","173","0.1","","","","","","","","6","P -1","-P 1","2","","","","- C24 H16 Cl4 Co N2 O4 -","- C24 H16 Cl4 Co N2 O4 -","- C48 H32 Cl8 Co2 N4 O8 -","2","1","","Su, Qiong; Wang, Yan-Bin","Crystal structure of bis(pyridine)-bis(2-formyl-4,6-dichlorophenolato)cobalt(II), C24H16Cl4CoN2O4","Zeitschrift für Kristallographie - New Crystal Structures","2017","232","5","729","730","10.1515/ncrs-2016-0386","","","0.71073","MoKα","","0.0859","0.0524","","","0.0874","0.1109","","","","","","1.045","","","","has coordinates","280748","2023-02-02","08:29:14",""
"8106659","33.758","0.005","7.1117","0.0016","6.2194","0.0009","90","","92.133","0.013","90","","1492.1","0.5","278","4","278","4","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C16 H15 Br N2 O2 -","- C16 H15 Br N2 O2 -","- C64 H60 Br4 N8 O8 -","4","1","","Zhao, Ji-Xing; Zhao, Li; Li, Peng-Peng; Wang, Fei; An, Qin-Qin","Crystal structure of (E)-1-(4-(((E)-5-bromo-2-hydroxybenzylidene)amino)phenyl)ethan-1-one O-methyl oxime, C16H15BrN2O2","Zeitschrift für Kristallographie - New Crystal Structures","2017","232","5","731","732","10.1515/ncrs-2016-0407","","","1.54184","CuKα","","0.0809","0.0693","","","0.2054","0.2153","","","","","","1.078","","","","has coordinates","280749","2023-02-02","08:32:34",""
"8106660","13.7579","0.0008","8.5684","0.0006","19.7973","0.001","90","","96.5","0.006","90","","2318.8","0.2","288.04","0.15","288.04","0.15","","","","","","","","5","P 1 2/c 1","-P 2yc","13","","","","- C24 H17 N6 O4 Zn -","- C24 H18 N6 O4 Zn -","- C96 H72 N24 O16 Zn4 -","4","1","","Yu-Fang, Wang; Tai, Jun-Hui","Crystal structure of catena-poly[(μ2-3-(1H-pyrazol-4-yl)-5-(pyridin-4-yl)-1,2,4-triazole-κ N:N′)-bis(benzoato-κO)zinc(II)], C24H18N6O4Zn","Zeitschrift für Kristallographie - New Crystal Structures","2017","232","5","733","735","10.1515/ncrs-2016-0409","","x-ray","0.71073","MoKα","","0.0789","0.0521","","","0.1191","0.1297","","","","","","1.056","","","","has coordinates","280750","2023-02-02","08:35:26",""
"8106661","15.5012","0.0006","9.3423","0.0003","19.7517","0.0006","90","","95.966","0.003","90","","2844.89","0.17","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","poly[aqua-(m~4~-4-(carboxylatomethyl)benzoato-k4O:O':O'':O''')- (m~2~-1-(4-(1H-imidazol-1-yl)benzyl)-1H-1,2,4-triazole-k2N:N') dimanganese(II)]","","- C30 H25 Mn2 N5 O9 -","- C30 H25 Mn2 N5 O9 -","- C120 H100 Mn8 N20 O36 -","4","1","","Wei-Dong, Yin; Gui-Lian, Li","Hydrothermal synthesis and crystal structure of a poly[aqua-(μ4-4-(carboxylatomethyl)benzoato-κ4 O:O′:O′′:O′′′)-(μ2-1-(4-(1H-imidazol-1-yl)benzyl)-1H-1,2,4-triazole-κ2 N:N′) dimanganese(II)], [Mn2(C9H6O4)2(C12H11N5)(H2O)]","Zeitschrift für Kristallographie - New Crystal Structures","2017","232","5","737","739","10.1515/ncrs-2016-0410","","","0.71073","MoKα","","0.0454","0.0362","","","0.0907","0.0971","","","","","","1.079","","","","has coordinates","280751","2023-02-02","08:39:04",""
"8106662","7.797","0.002","8.766","0.003","9.709","0.003","73.554","0.007","86.46","0.007","78.537","0.007","623.7","0.3","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C20 H24 Co N14 O4 -","- C20 H24 Co N14 O4 -","- C20 H24 Co N14 O4 -","1","0.5","","Ling-Yun, Xin; Hai-Yan, Zhang; Guang-Zhen, Liu","Crystal structure of diaqua-catena-poly[diaqua-bis(μ2-5-(4-(1H-1,2,4-triazol-1-yl)phenyl)tetrazol-2-ido-κ2 N:N′)cobalt(II)] dihydrate, C20H24CoN14O4","Zeitschrift für Kristallographie - New Crystal Structures","2017","232","5","741","743","10.1515/ncrs-2016-0413","","","0.71073","MoKα","","0.0339","0.0303","","","0.0728","0.0752","","","","","","1.042","","","","has coordinates","280752","2023-02-02","08:41:46",""
"8106663","9.07","0.003","15.201","0.005","20.786","0.006","90","","111.385","0.011","90","","2668.5","1.5","293","2","293","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C16 H38 Cl4 Co4 N4 O8 -","- C16 H38 Cl4 Co4 N4 O8 -","- C64 H152 Cl16 Co16 N16 O32 -","4","1","","Zhao, Ganlin","Crystal structure of bis(μ 3-2,2′-azanediylbis(ethan-1-olato)-κ5 O:O,N,O′:O′)-tetrachlorido-bis(μ 2-2-((2-hydroxyethyl)amino)ethan-1-olato-κ3 N,O:O)dicobalt(II)dicobalt(III), C16H38Cl4Co4N4O8","Zeitschrift für Kristallographie - New Crystal Structures","2017","232","5","745","747","10.1515/ncrs-2017-0005","","","0.71073","MoKα","","0.0758","0.0646","","","0.1684","0.1743","","","","","","1.045","","","","has coordinates","280753","2023-02-02","09:09:10",""
"8106664","7.9366","0.0011","10.2389","0.0015","26.313","0.004","90","","90","","90","","2138.2","0.5","296","2","296.15","","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C25 H18 Mn N4 O4 -","- C25 H18 Mn N4 O4 -","- C100 H72 Mn4 N16 O16 -","4","1","","Yin, Wei-Dong; Li, Gui-Lian","Crystal structure of poly[μ4-(4-(carboxylatomethyl)benzoato-κ4 O:O′:O′′:O′′′)-(2-(4-(1H-imidazol-1-yl)phenyl)-1H-benzo[d]imidazole-κN)manganese(II)] [Mn(C9H6O4)(C16H12N4)]","Zeitschrift für Kristallographie - New Crystal Structures","2017","232","5","749","751","10.1515/ncrs-2017-0007","","","0.71073","MoKα","","0.0613","0.0385","","","0.075","0.0832","","","","","","1.03","","","","has coordinates","280754","2023-02-02","09:12:41",""
"8106665","7.582","0.005","11.059","0.008","10.734","0.008","90","","99.661","0.008","90","","887.3","1.1","296","2","296","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C10 H7 Cl N2 -","- C10 H7 Cl N2 -","- C40 H28 Cl4 N8 -","4","1","","Li, Hong-Mei; Lou, Xin-Hua","Crystal structure of 4-chloro-6-phenylpyrimidine, C10H7ClN2","Zeitschrift für Kristallographie - New Crystal Structures","2017","232","5","753","754","10.1515/ncrs-2017-0011","","","0.71073","MoKα","","0.0426","0.0331","","","0.0877","0.0951","","","","","","1.038","","","","has coordinates","280755","2023-02-02","09:15:36",""
"8106666","7.737","0.002","7.86","0.0019","11.803","0.003","82.03","0.02","76.91","0.02","69.69","0.02","654.2","0.3","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","[6-methoxy-2-(2,2,2-trifluoroacetyl)-3,4-dihydronaphthalen-1(2H) -one]difluoroborane","","- C13 H10 B F5 O3 -","- C13 H10 B F5 O3 -","- C26 H20 B2 F10 O6 -","2","1","","Bai, JinYuan; Hou, YanJun","The crystal structure of [6-methoxy-2-(2,2,2-trifluoroacetyl)-3,4-dihydronaphthalen-1(2H)-one]difluoroborane, C13H10BF5O3","Zeitschrift für Kristallographie - New Crystal Structures","2017","232","5","755","756","10.1515/ncrs-2017-0012","","","0.71073","MoKα","","0.0666","0.0471","","","0.107","0.1203","","","","","","1.039","","","","has coordinates","280756","2023-02-02","09:19:18",""
"8106667","11.372","0.002","19.861","0.004","9.2904","0.0019","90","","90","","90","","2098.3","0.7","296","2","296","2","","","","","","","","5","C 2 2 21","C 2c 2","20","","","","- C24 H26 Cu N2 O2 -","- C24 H26 Cu N2 O2 -","- C96 H104 Cu4 N8 O8 -","4","0.5","","Luo, Xiaofang; Li, Guoqiang; Zuo, Ying; Jiang, Qi; Xu, Qiang","Crystal structure of 3,3′-(butane-1,4-diylbis(azanylylidene))bis(1-phenylbut-1-en-1-olato)-κ4 N,N′,O,O′]copper(II), C24H26N2O2Cu","Zeitschrift für Kristallographie - New Crystal Structures","2017","232","5","757","758","10.1515/ncrs-2017-0014","","","0.71073","MoKα","","0.021","0.0201","","","0.0574","0.058","","","","","","1.029","","","","has coordinates","280757","2023-02-02","09:22:59",""
"8106668","7.8948","0.001","17.404","0.002","11.9437","0.0015","90","","98.719","0.002","90","","1622.1","0.3","296","2","296","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C26 H28 Br2 N8 O12 Zn -","- C26 H28 Br2 N8 O12 Zn -","- C52 H56 Br4 N16 O24 Zn2 -","2","0.5","","Hou-Qun, Yuan; Hui-Ming, Xie; Wei, Xiao; Chun-Yan, Hu; Guang-Ming, Bao","Crystal structure of tetraaqua-bis((E)-N′-(2-bromobenzylidene)isonicotinohydrazide-κN)zinc(II) dinitrate, C26H28N8O12Br2Zn","Zeitschrift für Kristallographie - New Crystal Structures","2017","232","5","759","760","10.1515/ncrs-2017-0021","","","0.71073","MoKα","","0.0382","0.0269","","","0.0638","0.068","","","","","","1.032","","","","has coordinates","280758","2023-02-02","09:26:36",""
"8106669","13.9109","0.0014","11.1819","0.0006","19.533","0.003","90","","109.162","0.014","90","","2870","0.6","293","2","293","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","2-Amino-4-(4-bromophenyl)-5-oxo-5,6,7,8-tetrahydro-4<i>H</i>-chromene-3- carbonitrile","","- C16 H13 Br N2 O2 -","- C16 H13 Br N2 O2 -","- C128 H104 Br8 N16 O16 -","8","1","","Yu, Yuanyuan","Crystal structure of 2-amino-4-(4-bromophenyl)-5-oxo-5,6,7,8-tetrahydro-4H-chromene-3-carbonitrile, C16H13BrN2O2","Zeitschrift für Kristallographie - New Crystal Structures","2017","232","5","761","762","10.1515/ncrs-2017-0022","","","0.71073","MoKα","","0.0722","0.0413","","","0.0837","0.0957","","","","","","1.008","","","","has coordinates","280759","2023-02-02","09:28:54",""
"8106670","10.9035","0.0006","8.0936","0.0006","29.429","0.002","90","","98.136","0.002","90","","2570.9","0.3","173","2","173","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","<i>tert</i>-butyl 4-((4-(4-bromo-2-fluorophenylamino) -6-methoxyquinazolin-7-yloxy)methyl)piperidine-1-carboxylate","","- C26 H30 Br F N4 O4 -","- C26 H30 Br F N4 O4 -","- C104 H120 Br4 F4 N16 O16 -","4","1","","Wang, Kai; Chen, Qiang","A single crystal study on tert-butyl-4-((4-(4-bromo-2-fluorophenylamino)-6-methoxyquinazolin-7-yloxy)methyl)piperidine-1-carboxylate, C26H30BrFN4O4","Zeitschrift für Kristallographie - New Crystal Structures","2017","232","5","763","764","10.1515/ncrs-2017-0024","","","0.71073","MoKα","","0.0869","0.0434","","","0.0771","0.0897","","","","","","1.043","","","","has coordinates","280760","2023-02-02","09:31:47",""
"8106671","43.237","0.01","17.201","0.004","11.271","0.002","90","","103.009","0.005","90","","8167","3","100","2","100","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C36 H26 N2 O4 Zn -","- C36 H26 N2 O4 Zn -","- C432 H312 N24 O48 Zn12 -","12","1.5","","Li, Guo qiang; Zhou, Rui ping; Luo, Xiao fang; Zhou, Hong; Xu, Qiang","Crystal structure of 1,1′-((1E,1′E)-(((ethane-1,2-diylbis(oxy))bis(2,1-phenylene))bis(azanylylidene))bis(methanylylidene))bis(naphthalen-2-olato-κ3 O,O′,N)zinc(II), C36H26N2O4Zn","Zeitschrift für Kristallographie - New Crystal Structures","2017","232","5","765","767","10.1515/ncrs-2017-0025","","","0.71073","MoKα","","0.0794","0.0442","","","0.1162","0.153","","","","","","1.044","","","","has coordinates","280761","2023-02-02","09:36:42",""
"8106672","12.12","0.0006","13.0412","0.0006","15.7235","0.0007","103.8","0.001","98.427","0.001","110.278","0.001","2191.08","0.18","296","2","296","2","","","","","","","","6","P -1","-P 1","2","","","","- C27 H33 Co Mo4 N21 O19 -","- C27 H33 Co Mo4 N21 O19 -","- C54 H66 Co2 Mo8 N42 O38 -","2","1","","Huang, Shan-Xiu; Zhang, Lan-He; Ma, Ming-Jie; Dan, Zhao","Crystal structure of diaqua-bis(5′-(pyridin-1-ium-4-yl)-1H-[3,3′-bi(1,2,4-triazol)]-2′-ide-κ2 N,N′)cobalt(II) — bis(5-(pyridin-4-yl-κN)-1H,1′H-3,3′-bi(1,2,4-triazole))octamolybdate – water (2/1/8), C27H33CoMo4N21O19","Zeitschrift für Kristallographie - New Crystal Structures","2017","232","5","769","771","10.1515/ncrs-2017-0026","","","0.71073","MoKα","","0.0445","0.0302","","","0.0672","0.0726","","","","","","1.024","","","","has coordinates","280762","2023-02-02","09:39:25",""
"8106673","17.5052","0.001","12.7846","0.0007","9.4663","0.0005","90","","94.899","0.001","90","","2110.8","0.2","291","2","291","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C20 H24 I2 N2 O2 -","- C20 H24 I2 N2 O2 -","- C80 H96 I8 N8 O8 -","4","1","","Hong, Zhi; Zhao, Sha-sha; Pan, Hong; Jin, Qian; Tang, Xiao-qin; Liu, Jun-li","Crystal structure of 3-cyclohexyl-2-(cyclohexylimino)-2,3-dihydro-6,8-diiodo-4H-1,3-benzoxazin-4-one, C20H24I2N2O2","Zeitschrift für Kristallographie - New Crystal Structures","2017","232","5","773","774","10.1515/ncrs-2017-0027","","","0.71073","MoKα","","0.0387","0.0321","","","0.0947","0.0996","","","","","","1.062","","","","has coordinates","280763","2023-02-02","09:42:36",""
"8106674","11.3232","0.001","12.879","0.002","13.035","0.002","84.854","0.017","69.317","0.016","73.929","0.013","1708.8","0.5","113","2","113","2","","","","","","","","5","P -1","-P 1","2","","","","- C62 H80 Mn2 N16 O18 -","- C62 H80 Mn2 N16 O18 -","- C62 H80 Mn2 N16 O18 -","1","0.5","","Jing, Chen; Haodong, Zhang","Crystal structure of dinitrato-κO-bis(tris((1H-benzo[d]imidazol-2-yl)methyl)amine-κ4 N,N′,N′′,N′′′)-(μ2-cyclohexane-1,4-dicarboxylato-κ4 O,O′:O′′,O′′′)dimanganese(II) – methanol – water (1/6/2), C62H80Mn2N16O18","Zeitschrift für Kristallographie - New Crystal Structures","2017","232","5","775","777","10.1515/ncrs-2017-0029","","","0.71073","MoKα","","0.038","0.032","","","0.0834","0.086","","","","","","1.05","","","","has coordinates","280764","2023-02-02","09:46:01",""
"8106675","7.6548","0.0001","6.8528","0.0001","19.2214","0.0004","90","","93.776","0.001","90","","1006.1","0.03","100","2","100","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C18 H20 N2 Ni O2 S4 -","- C18 H20 N2 Ni O2 S4 -","- C36 H40 N4 Ni2 O4 S8 -","2","0.5","","Ajayi, Tomilola J.; Van Zyl, Werner E.","Crystal structure of bis(2-hydroxyethyl(phenyl)carbamodithioate)nickel(II), C18H20N2NiO2S4","Zeitschrift für Kristallographie - New Crystal Structures","2017","232","5","779","780","10.1515/ncrs-2017-0030","","","0.71073","MoKα","","0.0196","0.0189","","","0.0458","0.0461","","","","","","1.145","","","","has coordinates","280765","2023-02-02","09:49:11",""
"8106676","10.189","0.004","7.742","0.002","17.24","0.005","90","","94.5","0.01","90","","1355.8","0.7","295","2","295","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C14 H16 F N O4 -","- C14 H16 F N O4 -","- C56 H64 F4 N4 O16 -","4","1","","Chebbi, Hammouda; Guesmi, Abderrahmen; Driss, Ahmed","Crystal structure of methyl 1-(4-fluorobenzyl)-4-methoxy-5-oxopyrrolidine-3-carboxylate, C14H16FNO4","Zeitschrift für Kristallographie - New Crystal Structures","2017","232","5","781","782","10.1515/ncrs-2017-0031","","","0.71073","MoKα","","0.0626","0.042","","","0.1068","0.1183","","","","","","1.019","","","","has coordinates","280766","2023-02-02","09:52:41",""
"8106677","9.4713","0.0003","11.8586","0.0004","14.7597","0.0005","93.525","0.001","90.61","","108.99","","1563.74","0.09","293","2","293","2","","","","","","","","7","P -1","-P 1","2","","","","- C36 H29 Cu I N2 O3 P -","- C36 H29 Cu I N2 O3 P -","- C72 H58 Cu2 I2 N4 O6 P2 -","2","1","","Yang, Shengyun; Yao, Gang","Crystal structure of di-μ-iodido-bis(6-(p-tolyl)-2,2′-bipyridine-κ2 N,N′)dicopper(I) — 2-(diphenylphosphoryl)benzoic acid (1/2), C36H29CuIN2O3P","Zeitschrift für Kristallographie - New Crystal Structures","2017","232","5","783","784","10.1515/ncrs-2017-0032","","","0.71073","MoKα","","0.04","0.0279","","","0.0661","0.0688","","","","","","1.009","","","","has coordinates","280767","2023-02-02","09:56:39",""
"8106678","23.5259","0.0015","9.3637","0.0006","15.7104","0.0013","90","","93.786","0.006","90","","3453.3","0.4","293","2","293","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C18 H16 Br F N2 O2 -","- C18 H16 Br F N2 O2 -","- C144 H128 Br8 F8 N16 O16 -","8","1","","Song, Jing","Crystal structure of 2-amino-4-(3-bromo-4-fluoro-phenyl)-7,7-dimethyl-5-oxo-5,6,7,8-tetrahydro-4H-chromene-3-carbonitrile, C18H16BrFN2O2","Zeitschrift für Kristallographie - New Crystal Structures","2017","232","5","785","786","10.1515/ncrs-2017-0036","","","0.71073","MoKα","","0.0935","0.0486","","","0.1111","0.1366","","","","","","0.971","","","","has coordinates","280768","2023-02-02","09:59:49",""
"8106679","11.3651","0.0008","12.9707","0.001","18.7281","0.0014","79.327","0.001","74.543","0.001","70.703","0.001","2497.1","0.3","293","2","293","2","","","","","","","","6","P -1","-P 1","2","","","","- C52 H36 Cd2 Cl4 N4 O10 -","- C52 H36 Cd2 Cl4 N4 O10 -","- C104 H72 Cd4 Cl8 N8 O20 -","2","1","","Liu, Chao","Crystal structure of bis(μ 2-2-chlorobenzoato-κ3 O,O′:O′)-(2-chlorobenzoato-κO)-(2-chlorobenzoato-κO,O′)-bis(1,10-phenanthroline-κ2 N,N′)-dicadmium(II) monohydrate, C52H36Cd2Cl4N4O10","Zeitschrift für Kristallographie - New Crystal Structures","2017","232","5","787","789","10.1515/ncrs-2017-0040","","","0.71073","MoKα","","0.0523","0.0393","","","0.0875","0.0933","","","","","","1.064","","","","has coordinates,has disorder","280778","2023-02-06","08:41:03",""
"8106680","7.1591","0.0014","10.236","0.002","16.713","0.003","90","","90","","90","","1224.7","0.4","293","2","293","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C12 H18 N2 O4 -","- C12 H18 N2 O4 -","- C48 H72 N8 O16 -","4","1","","Ye, Fei; Li, Juan-Juan; Xu, Zhao-Zheng; Fu, Ying","Crystal structure of 2-(8a-methyl-5-oxo-hexahydroimidazo [1,2-a]pyridin-1(5H)-yl)-2-oxoethyl acetate, C12H18N2O4","Zeitschrift für Kristallographie - New Crystal Structures","2017","232","5","791","793","10.1515/ncrs-2017-0041","","","0.71073","MoKα","","0.036","0.0333","","","0.08","0.081","","","","","","1.121","","","","has coordinates","280779","2023-02-06","08:44:11",""
"8106681","9.065","0.0015","16.342","0.003","10.1187","0.0017","90","","91.061","0.005","90","","1498.7","0.4","308","2","308","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","5-nitro-2-(<i>N</i>,<i>N</i>-diethylphenylethenamino)-1,3-thiazole","","- C15 H17 N3 O2 S -","- C15 H17 N3 O2 S -","- C60 H68 N12 O8 S4 -","4","1","","Pairan, Nur Farahin; Kasim, Noor Azilah Mohd; Yamin, Bohari M.; Shah, Noor Aisyah Ahmad","Crystal structure of (E)-N,N-diethyl-2-(5-nitrothiazol-2-yl)-1-phenylethen-1-amine, C15H17N3O2S","Zeitschrift für Kristallographie - New Crystal Structures","2017","232","5","795","797","10.1515/ncrs-2017-0043","","","0.71073","MoKα","","0.1671","0.0645","","","0.1042","0.1323","","","","","","1.037","","","","has coordinates","280780","2023-02-06","08:47:45",""
"8106682","7.2827","0.0015","8.6433","0.0017","11.41","0.002","98.58","0.03","96.15","0.03","107.67","0.03","667.8","0.3","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C22 H28 Mn2 N8 O6 -","- C22 H28 Mn2 N8 O6 -","- C22 H28 Mn2 N8 O6 -","1","0.5","","Wu, Qiong; Pu, Qing; Liu, Dian; Ju, Hong-Ping; Qiao, Yong-Feng; Wang, Xiao-Yan; Wu, Yong-Mei; Zou, Tao-Yu; Wang, Hai","Crystal structure of diazido-dimethanolato-bis(μ2-2-(((3-oxidopropyl)imino)methyl)phenolato-κ4 O:O,O′,N)dimanganese(III), C22H28Mn2N8O6","Zeitschrift für Kristallographie - New Crystal Structures","2017","232","5","799","800","10.1515/ncrs-2017-0049","","","0.71073","MoKα","","0.0507","0.0414","","","0.1201","0.1376","","","","","","0.948","","","","has coordinates","280781","2023-02-06","08:51:08",""
"8106683","6.5651","0.0007","9.4145","0.001","9.5014","0.0011","68.668","0.01","77.063","0.009","86.847","0.009","532.91","0.11","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","Cu[2-(2,2,2-trifluoroacetyl)-3,4-dihydronaphthalen-1(2H)-one]2","","- C24 H16 Cu F6 O4 -","- C24 H16 Cu F6 O4 -","- C24 H16 Cu F6 O4 -","1","0.5","","Shao, HaiFeng; Hou, YanJun","The crystal structure of bis(2-(2,2,2-trifluoroacetyl)-3,4-dihydronaphthalen-1-olato-κ2O,O′)copper(II), C24H16CuF6O4","Zeitschrift für Kristallographie - New Crystal Structures","2017","232","5","801","802","10.1515/ncrs-2017-0050","","","0.71073","MoKα","","0.0748","0.0596","","","0.1324","0.1477","","","","","","1.036","","","","has coordinates","280782","2023-02-06","08:53:38",""
"8106684","6.202","0.001","7.126","0.001","38.499","0.002","90","","91.258","0.002","90","","1701.1","0.4","300","2","300","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","Hexaaquanickel (II) bis((E)-4((4-(dimethylamino)phenyl) diazenyl)benzenesulfonate","","- C28 H40 N6 Ni O12 S2 -","- C28 H40 N6 Ni O12 S2 -","- C56 H80 N12 Ni2 O24 S4 -","2","0.5","","Oh, In-Hwan; Park, Garam; Park, Seong-Hun","Crystal structure of hexaaquanickel(II) bis((E)-4-((4-(dimethylamino)phenyl)diazenyl)benzenesulfonate), C28H40N6NiO12S2","Zeitschrift für Kristallographie - New Crystal Structures","2017","232","5","803","805","10.1515/ncrs-2017-0051","","","0.71073","MoKα","","0.1027","0.0698","","","0.1424","0.1515","","","","","","1.253","","","","has coordinates","280783","2023-02-06","09:07:22",""
"8106685","7.475","0.003","12.246","0.005","24.615","0.011","90","","90","","90","","2253.2","1.6","296","2","296","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C20 H22 Cd F4 N4 O6 -","- C20 H22 Cd F4 N4 O6 -","- C80 H88 Cd4 F16 N16 O24 -","4","1","","Hou-Qun, Yuan; Wen-Min, Wang; Chang-Gan, Huang; Wei, Xiao; Guang-Ming, Bao","Crystal structure of catena-poly[aqua-(μ 2-hexamethylenetetramine-κ 2 N:N′)-bis(2,6-difluorobenzoato-κ 2 O:O′)cadmium(II)]monohydrate, C20H22CdF4N4O6","Zeitschrift für Kristallographie - New Crystal Structures","2017","232","5","807","809","10.1515/ncrs-2017-0053","","","0.71073","MoKα","","0.0266","0.0245","","","0.0621","0.0706","","","","","","1.214","","","","has coordinates","280784","2023-02-06","09:11:28",""
"8106686","6.4172","0.0006","9.7237","0.001","10.5031","0.001","84.838","0.002","87.561","0.002","78.557","0.002","639.54","0.11","296","2","296","2","","","","","","","","5","P -1","-P 1","2","","","","- C15 H12 N2 O S -","- C15 H12 N2 O S -","- C30 H24 N4 O2 S2 -","2","1","","Yan, Ling-Ling; Cai, Hong-Xin","Crystal structure of 3-benzyl-2,3-dihydro-2-thioxoquinazolin-4(1H)-one, C15H12N2OS","Zeitschrift für Kristallographie - New Crystal Structures","2017","232","5","811","812","10.1515/ncrs-2017-0054","","","0.71073","MoKα","","0.0433","0.0362","","","0.0888","0.0934","","","","","","1.067","","","","has coordinates","280785","2023-02-06","09:14:56",""
"8106687","11.526","0.002","12.902","0.002","15.469","0.003","95.632","0.002","107.789","0.002","96.251","0.002","2156.3","0.7","100","2","100","2","","","","","","","","8","P -1","-P 1","2","","di(<i>μ</i>~2~-<i>η</i>^1^,<i>η</i>^1^- ferrocenecarboxylate)-di(1,10-phenanthroline)-{μ-methanolate}dicopper(II) tetrafluoroborate – acetonitrile (1/1)","","- C49 H40 B Cu2 F4 Fe2 N5 O5 -","- C49 H40 B Cu2 F4 Fe2 N5 O5 -","- C98 H80 B2 Cu4 F8 Fe4 N10 O10 -","2","1","","Liu, Kuanguan; Shan, Qi-De; Nie, Jing; Yan, Xiaowei","Crystal structure of bis(μ2-ferrocenecarboxylato-κ2 O:O′)-bis(1,10-phenanthroline-κ2 N,N′)-(μ2-methanolato-κ2 O,O)dicopper(II) tetrafluoroborate – acetonitrile (1/1), C49H40BCu2F4Fe2N5O5","Zeitschrift für Kristallographie - New Crystal Structures","2017","232","5","813","815","10.1515/ncrs-2017-0058","","","0.71073","MoKα","","0.0647","0.0443","","","0.1085","0.1198","","","","","","1.004","","","","has coordinates,has disorder","280786","2023-02-06","09:20:41",""
"8106688","14.1874","0.0003","14.1874","0.0003","9.8721","0.0003","90","","90","","90","","1987.08","0.08","100","2","100","2","","","","","","","","7","P 42/n m c :2","-P 4ac 2a","137","","Tetrakis(1,3,5-triaza-7-phosphatricyclo [3.3.1.1^3,7^]decane-κP)-silver(I) chloride dihydrate","","- C24 H60 Ag Cl N12 O6 P4 -","- C24 H60 Ag Cl N12 O6 P4 -","- C48 H120 Ag2 Cl2 N24 O12 P8 -","2","0.125","","Oosthuizen, Runé; Brink, Alice; Venter, Gertruida J. S.","The crystal structure of tetrakis(1,3,5-triaza-7-phosphatricyclo[3.3.1.13,7]decane-κP)silver(I) chloride dihydrate, C24H60AgClN12O6P4","Zeitschrift für Kristallographie - New Crystal Structures","2017","232","5","817","818","10.1515/ncrs-2017-0060","","x-ray","0.71073","MoKα","","0.0167","0.0148","","","0.0393","0.0417","","","","","","1.121","","","","has coordinates","280787","2023-02-06","09:25:21",""
"8106689","10.763","0.006","5.941","0.004","20.31","0.012","90","","92.238","0.006","90","","1297.7","1.4","296","2","296.15","","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","","","- C14 H18 O4 -","- C14 H18 O4 -","- C56 H72 O16 -","4","1","","Jia, Guo-Kai; Yuan, Lin; Yuan, Xian-You; Li, Zhong-Yan","Crystal structure of 5-ethyl-2-(p-tolyl)-1,3-dioxane-5-carboxylic acid, C14H18O4","Zeitschrift für Kristallographie - New Crystal Structures","2017","232","5","819","820","10.1515/ncrs-2017-0061","","","0.71073","MoKα","","0.0527","0.0484","","","0.1286","0.1351","","","","","","1.0778","","","","has coordinates","280788","2023-02-06","09:29:04",""
"8106690","7.3359","0.0011","18.424","0.003","12.8968","0.0019","90","","93.23","0.002","90","","1740.3","0.5","296","2","296.15","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C19 H16 Cl I N2 -","- C19 H16 Cl I N2 -","- C76 H64 Cl4 I4 N8 -","4","1","","Li, Zhong-Yan; Yuan, Lin; Yuan, Xian-You; Zhang, Min","Crystal structure of 2-(4-fluorophenyl)-1,3-dimethyl-1H-perimidin-3-ium iodide, C19H16ClIN2","Zeitschrift für Kristallographie - New Crystal Structures","2017","232","5","821","822","10.1515/ncrs-2017-0062","","","0.71073","MoKα","","0.0231","0.0213","","","0.0544","0.0562","","","","","","1.084","","","","has coordinates","280789","2023-02-06","09:32:27",""
"8106691","13.074","0.003","20.229","0.004","14.419","0.003","90","","108.889","0.002","90","","3608.1","1.3","296","2","296","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C34 H24 Cu2 F8 N4 O8 -","- C34 H24 Cu2 F8 N4 O8 -","- C136 H96 Cu8 F32 N16 O32 -","4","1","","Hou-Qun, Yuan; You-Fa, Xiong; Wei, Xiao; Chun-Yan, Hu; Guang-Ming, Bao","Crystal structure of catena-poly[(μ 2-hexamethylenetetramine-κ 2 N:N′)-tetrakis(μ 2-2,6-difluorobenzoato-κ 2 O:O′)dicopper(II)], C34H24Cu2F8N4O8","Zeitschrift für Kristallographie - New Crystal Structures","2017","232","5","823","825","10.1515/ncrs-2017-0064","","","0.71073","MoKα","","0.1015","0.0512","","","0.1221","0.1465","","","","","","1.019","","","","has coordinates,has disorder","280790","2023-02-06","09:36:25",""
"8106692","9.4549","0.0011","10.764","0.0012","21.279","0.003","90","","98.778","0.002","90","","2140.3","0.5","296","2","296","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C25 H23 N3 O3 -","- C25 H23 N3 O3 -","- C100 H92 N12 O12 -","4","1","","Wang, Qiang; Zhao, Lin; Xing, Wanli; Zong, Chaozai; Zhang, Shuai","Crystal structure of ethyl 3-hydroxy-5-methyl-2-(4-(m-tolyl)-1H-1,2,3-triazol-1-yl)-[1,1′-biphenyl]-4- carboxylate, C25H24N3O3","Zeitschrift für Kristallographie - New Crystal Structures","2017","232","5","827","829","10.1515/ncrs-2017-0065","","","0.71073","MoKα","","0.1068","0.0498","","","0.1102","0.1408","","","","","","1.004","","","","has coordinates","280791","2023-02-06","09:39:36",""
"8106693","9.5498","0.0014","13.4996","0.0018","17.428","0.003","90","","90","","90","","2246.8","0.6","100","2","100","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C24 H25 N O3 P Rh -","- C24 H25 N O3 P Rh -","- C96 H100 N4 O12 P4 Rh4 -","4","1","","Elmakki, Mohammed A.; Alexander, Orbett T.; Venter, Gertruida J. S.; Venter, Johan A.","The crystal structure of carbonyl(2-oxopyridin-1(2H)-olato-κ 2 O,O′)-(diphenylcyclohexylphosphine-κ P)rhodium(I), C24H25NO3PRh","Zeitschrift für Kristallographie - New Crystal Structures","2017","232","5","831","833","10.1515/ncrs-2017-0066","","","0.71073","MoKα","","0.0177","0.0163","","","0.037","0.0376","","","","","","1.047","","","","has coordinates","280792","2023-02-06","09:43:07",""
"8106694","8.8634","0.0006","8.8634","0.0006","27.731","0.004","90","","90","","90","","2178.5","0.4","296.15","","296.15","","","","","","","","","5","I 41/a :2","-I 4ad","88","","","","- C20 H16 Cu N10 O2 -","- C20 H16 Cu N10 O2 -","- C80 H64 Cu4 N40 O8 -","4","0.25","","Wang, Zhaodong; Xu, Qiang; Ni, Haitao; Liu, Xidong","Crystal structure of bis((pyrazin-2-ylmethyl)(pyrazine-2-carbonyl)amido-κ3 N,N′,N′′)copper(II), C20H16CuN10O2","Zeitschrift für Kristallographie - New Crystal Structures","2017","232","5","835","836","10.1515/ncrs-2017-0069","","","0.71073","MoKα","","0.0774","0.0541","","","0.139","0.1521","","","","","","1.105","","","","has coordinates,has disorder","280793","2023-02-06","09:47:18",""
"8106695","7.9379","0.0007","6.0324","0.0006","13.6542","0.0013","90","","104.184","0.004","90","","633.89","0.1","296","2","296","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","Catena-[(μ-succinonitrile)-cobalt(II)]dinitrate","","","- C4 H12 Co N4 O10 -","- C4 H12 Co N4 O10 -","- C8 H24 Co2 N8 O20 -","2","0.5","","Brito, Iván; González, Brayan; Cárdenas, Alejandro","Crystal structure of catena-poly[tetraaqua-(μ2-succinonitrile-κ 2 N:N′)cobalt(II)] dinitrate, C4H12CoN4O10","Zeitschrift für Kristallographie - New Crystal Structures","2017","232","5","837","838","10.1515/ncrs-2017-0072","","","1.54178","CuKα","","0.0466","0.0333","","","0.0863","0.0899","","","","","","1.045","","","","has coordinates","280794","2023-02-06","09:50:16",""
"8106696","13.8885","0.0006","13.8885","0.0006","13.6718","0.0006","90","","90","","90","","2637.2","0.2","210","2","210","2","","","","","","","","3","I 41/a :2","-I 4ad","88","","1,1'-bisisoquinoline","","- C18 H12 N2 -","- C18 H12 N2 -","- C144 H96 N16 -","8","0.5","","Grunwald, Nicolas; Kelling, Alexandra; Holdt, Hans-Jürgen; Schilde, Uwe","The crystal structure of 1,1′-bisisoquinoline, C18H12N2","Zeitschrift für Kristallographie - New Crystal Structures","2017","232","5","839","841","10.1515/ncrs-2017-0088","","","0.71073","MoKα","","0.037","0.0295","","","0.0832","0.0854","","","","","","1.031","","","","has coordinates","280795","2023-02-06","09:54:19",""
"8106697","8.4566","0.0007","11.9163","0.0007","12.4333","0.0009","99.77","0.001","103.49","0.001","90.29","0.001","1199.38","0.15","150","2","150","2","","","","","","","","6","P -1","-P 1","2","","","","- C22 H22 Cl Co N4 O10 -","- C22 H22 Cl Co N4 O10 -","- C44 H44 Cl2 Co2 N8 O20 -","2","1","","Liu, Feng; Li, Weihua; Lu, Hui; Sun, Jianhua","Crystal structure of bis(hydroxydi(pyridin-2-yl)methanolato-κ3 N,N′,O)cobalt(III) perchlorate dihydrate, C22H22ClCoN4O10","Zeitschrift für Kristallographie - New Crystal Structures","2017","232","5","843","844","10.1515/ncrs-2017-0090","","","0.71073","MoKα","","0.0341","0.0295","","","0.0751","0.0774","","","","","","1.043","","","","has coordinates","280796","2023-02-06","09:57:43",""
"8106698","13.874","0.002","6.5644","0.0011","6.6911","0.0011","90","","90","","90","","609.39","0.17","293","2","293","2","","","","","","","","5","P n m a","-P 2ac 2n","62","Potassium 1-Methyl-1,2,3,4-Tetrazole-5-Thiolate","","","- C2 H3 K N4 S -","- C2 H3 K N4 S -","- C8 H12 K4 N16 S4 -","4","0.5","","Wang, Xiuhang","Crystal structure of potassium 1-methyl-1H-1,2,3,4-tetrazole-5-thiolate, C2H3N4SK","Zeitschrift für Kristallographie - New Crystal Structures","2017","232","6","845","847","10.1515/ncrs-2016-0411","","","0.71073","MoKα","","0.026","0.0238","","","0.0584","0.0594","","","","","","1","","","","has coordinates","280797","2023-02-06","10:18:27",""
"8106699","26.1482","0.0012","10.6096","0.0004","17.4426","0.0006","90","","90.932","0.004","90","","4838.3","0.3","106","","106","","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C27 H60 Cl2 N6 O23 V6 -","- C27 H60 Cl2 N6 O23 V6 -","- C108 H240 Cl8 N24 O92 V24 -","4","0.5","","Hu, Xiaokang; Huang, Bo; Xiao, Zicheng; Wu, Pingfan","Crystal structure of bis(3-(3-ethylureido)-N,N-dimethylpropan-1-aminium) bis (μ 3-2-(hydroxymethyl)-2-(oxidomethyl)propane-1,3-bis(olato))-(μ 6-oxo)-hexakis(μ 2-oxo)-hexaoxo-hexavanadium(V) – dichloromethane (1/1), C27H60Cl2N6O23V6","Zeitschrift für Kristallographie - New Crystal Structures","2017","232","6","849","850","10.1515/ncrs-2017-0001","","","0.7107","MoKα","","0.0746","0.0565","","","0.137","0.1477","","","","","","1.047","","","","has coordinates","280798","2023-02-06","10:21:22",""
"8106700","9.3724","0.0009","11.7867","0.0016","12.3994","0.0018","70.65","0.013","75.462","0.01","81.085","0.01","1247.1","0.3","294.06","0.1","294.06","0.1","","","","","","","","6","P -1","-P 1","2","","","","- C40 H40 Br4 Cl4 Mn4 O16 -","- C40 H40 Br4 Cl4 Mn4 O16 -","- C40 H40 Br4 Cl4 Mn4 O16 -","1","0.5","","Zhao, Ji-Xing; Zhao, Li; Wang, Fei; An, Qin-Qin; Li, Peng-Peng","Crystal structure of bis(μ3-methanolato-κ3 O:O:O)-bis(μ2-methanolato-κ2 O:O)-dimethanol-bis{6,6′-(1,3-dihydroxyl-2-acetylpropane-1,3-diyl)bis(2-chloro-4-bromophenolato)}tetramanganese(III) C40H40Br4Cl4Mn4O16","Zeitschrift für Kristallographie - New Crystal Structures","2017","232","6","851","853","10.1515/ncrs-2017-0002","","x-ray","0.71073","MoKα","","0.1218","0.0618","","","0.0942","0.1201","","","","","","1.025","","","","has coordinates","280800","2023-02-07","09:36:56",""
"8106701","9.3446","0.0011","11.6799","0.0011","12.5833","0.0016","70.937","0.01","76.049","0.011","80.984","0.009","1255.2","0.3","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C40 H40 Br8 Mn4 O16 -","- C40 H40 Br8 Mn4 O16 -","- C40 H40 Br8 Mn4 O16 -","1","0.5","","Zhao, Ji-Xing; Zhao, Li; Li, Peng-Peng; Zhu, Zhao-Bin; An, Qin-Qin; Wang, Fei","Synthesis and crystal structure of tetrakis(μ2-methanolato)-dimethanol-bis(μ2-2-acetyl-1,3-bis(3,5-dibromo-2-oxidophenyl)propane-1,3-bis(olato)-κ5 O 1,O 2,O 3:O 3,O 4,O 5)tetramanganese(III), C40H40Br8Mn4O16","Zeitschrift für Kristallographie - New Crystal Structures","2017","232","6","855","857","10.1515/ncrs-2017-0008","","x-ray","0.71073","MoKα","","0.1211","0.0641","","","0.0966","0.1246","","","","","","1.029","","","","has coordinates","280801","2023-02-07","09:40:23",""
"8106702","9.2586","0.0005","11.6798","0.001","12.3267","0.0008","70.237","0.007","75.557","0.005","81.358","0.006","1211.65","0.16","293.6","0.1","293.6","0.1","","","","","","","","5","P -1","-P 1","2","","","","- C40 H40 Cl8 Mn4 O16 -","- C40 H40 Cl8 Mn4 O16 -","- C40 H40 Cl8 Mn4 O16 -","1","0.5","","Zhao, Ji-Xing; Zhao, Li; Li, Peng-Peng; Zhu, Zhao-Bin; Wang, Fei; An, Qin-Qin","Synthesis and crystal structure tetrakis(μ2-methanolato)-dimethanol-bis(μ2-2-acetyl-1,3-bis(3,5-dichloro-2-oxidophenyl)propane-1,3-bis(olato)-κ5 O 1,O 2,O 3:O 3,O 4,O 5), tetramanganese(III), C40H40Cl8Mn4O16","Zeitschrift für Kristallographie - New Crystal Structures","2017","232","6","859","861","10.1515/ncrs-2017-0013","","x-ray","1.54184","CuKα","","0.0407","0.0333","","","0.0848","0.0906","","","","","","1.032","","","","has coordinates","280802","2023-02-07","09:43:46",""
"8106703","10.4018","0.0004","6.1634","0.0002","24.2227","0.0015","90","","101.82","0.005","90","","1520","0.12","291.73","0.1","291.73","0.1","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C34 H34 Cu N4 O6 -","- C34 H34 Cu N4 O6 -","- C68 H68 Cu2 N8 O12 -","2","0.5","","Zhao, Ji-Xing; Zhao, Li; Li, Peng-Peng; Zhu, Zhao-Bin","Crystal structure of bis{5-methoxy-2-((E)-((4-((E)-1-(methoxyimino)ethyl)phenyl)imino)methyl)phenolato-κ2 N,O)}copper(II), C34H34CuN4O6","Zeitschrift für Kristallographie - New Crystal Structures","2017","232","6","863","865","10.1515/ncrs-2017-0028","","x-ray","0.71073","MoKα","","0.0809","0.0565","","","0.1279","0.1455","","","","","","1.049","","","","has coordinates","280803","2023-02-07","09:47:04",""
"8106704","7.5158","0.0006","6.394","0.0005","25.881","0.003","90","","93.243","0.008","90","","1241.7","0.2","173","0.1","173","0.1","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C15 H13 N O3 -","- C15 H13 N O3 -","- C60 H52 N4 O12 -","4","1","","Yang, Yu-Hua; Akogun, Sunday Folaranmi; Dong, Wen-Kui","Crystal structure of (E)-1-(2-hydroxy-3-{[2-hydroxybenzylidene]amino}phenyl)ethan-1-one, C15H13NO3","Zeitschrift für Kristallographie - New Crystal Structures","2017","232","6","867","868","10.1515/ncrs-2017-0033","","x-ray","0.71073","MoKα","","0.0842","0.0547","","","0.135","0.1582","","","","","","1.072","","","","has coordinates","280804","2023-02-07","09:53:09",""
"8106705","9.7415","0.0009","13.644","0.0014","20.277","0.003","72.807","0.01","83.019","0.009","72.246","0.009","2450.6","0.5","290.92","0.1","290.92","0.1","","","","","","","","6","P -1","-P 1","2","","","","- C44 H49 Cl2 Co3 N6 O12 -","- C44 H49 Cl2 Co3 N6 O12 -","- C88 H98 Cl4 Co6 N12 O24 -","2","1","","Yang, Yu-Hua; Wang, Bao-Jun; Lan, Peng-Fei; Dong, Wen-Kui","Crystal structure of bis(μ2-acetato-κ2 O:O′)-bis{μ2-4-chloro-2-(8-(4-(diethylamino)-2-oxidophenyl)-3,6-dioxa-2,7-diazaocta-1,7-dien-1-yl)phenolato-κ6 O:O,N,N′,O′′:O′′}tricobalt(II), C44H49Cl2Co3N6O12","Zeitschrift für Kristallographie - New Crystal Structures","2017","232","6","869","872","10.1515/ncrs-2017-0034","","","0.71073","MoKα","","0.1612","0.07","","","0.1037","0.1505","","","","","","1.005","","","","has coordinates,has disorder","280805","2023-02-07","10:06:09",""
"8106706","11.9298","0.0007","12.885","0.0009","17.5241","0.0011","84.854","0.006","85.181","0.005","65.796","0.006","2443.7","0.3","293.51","0.1","293.51","0.1","","","","","","","","6","P -1","-P 1","2","","","","- C43 H48 Br4 Co2 N6 O9 -","- C43 H48 Br4 Co2 N6 O9 -","- C86 H96 Br8 Co4 N12 O18 -","2","1","","Zheng, Shan-Shan; Hao, Jing; Lan, Peng-Fei; Dong, Xiu-Yan; Dong, Wen-Kui","Crystal structure of bis{μ2-2,4-dichloro-6-(8-(4-(diethylamino)-2-oxidophenyl)-3,6-dioxa-2,7-diazaocta-1,7-dien-1-yl)phenolato-κ5 O:O,N,N′,O′}dicobalt(II) acetone solvate, C43H48Br4Co2N6O9","Zeitschrift für Kristallographie - New Crystal Structures","2017","232","6","873","875","10.1515/ncrs-2017-0035","","","0.71073","MoKα","","0.1147","0.0556","","","0.0838","0.1053","","","","","","1.02","","","","has coordinates","280806","2023-02-07","10:18:13",""
"8106707","9.7387","0.0008","13.7034","0.0012","20.2498","0.0016","72.539","0.008","82.872","0.007","72.157","0.008","2452.3","0.4","293","2","293","2","","","","","","","","6","P -1","-P 1","2","","","","- C44 H50 Cl2 N6 O12 Zn3 -","- C44 H50 Cl2 N6 O12 Zn3 -","- C88 H100 Cl4 N12 O24 Zn6 -","2","1","","Li, Li; Hao, Jing; Lan, Peng-Fei; Dong, Wen-Kui","Synthesis and crystal structure of bis(μ2-acetato-κ2 O:O′)-bis{μ2-4-chloro-2-(8-(4-(diethylamino)-2-oxidophenyl)-3,6-dioxa-2,7-diazaocta-1,7-dien-1-yl)phenolato-κ6 O:O,N,N′,O′:O′}trizinc(II), C44H49Cl2N6O12Zn3","Zeitschrift für Kristallographie - New Crystal Structures","2017","232","6","877","879","10.1515/ncrs-2017-0037","","","0.71073","MoKα","","0.1894","0.06","","","0.0798","0.1392","","","","","","0.82","","","","has coordinates,has disorder","280807","2023-02-07","10:24:40",""
"8106708","10.6703","0.0007","27.091","0.004","17.9132","0.0016","90","","96.246","0.008","90","","5147.4","1","290.92","0.1","290.92","0.1","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C46 H56 N6 O14 Zn3 -","- C46 H56 N6 O14 Zn3 -","- C184 H224 N24 O56 Zn12 -","4","0.5","","Dong, Xiu-Yan; Zhang, Han; Wang, Bai-Jun; Lan, Peng-Fei; Dong, Wen-Kui","Crystal structure of bis{5-(N,N′-diethylamine)-5′-methoxy -2,2′-[ethylenediyldioxybis(nitrilomethylidyne)]diphenolato}-bis(μ2-acetato-κ2 O:O′)trizinc(II), C46H56Zn3N6O14","Zeitschrift für Kristallographie - New Crystal Structures","2017","232","6","881","883","10.1515/ncrs-2017-0038","","","0.71073","MoKα","","0.1324","0.0647","","","0.1463","0.1865","","","","","","1.047","","","","has coordinates","280808","2023-02-07","10:27:42",""
"8106709","19.053","0.004","9.0666","0.0018","16.439","0.003","90","","90","","90","","2839.8","1","123","2","123","2","","","","","","","","6","P c a 21","P 2c -2ac","29","","","","- C24 H32 B Fe N10 O2 -","- C24 H32 B Fe N10 O2 -","- C96 H128 B4 Fe4 N40 O8 -","4","1","","Ni, Zhong-Hai; Sun, Hao","Crystal structure of tris(cyano-(hydrogen tris(3,5-dimethylpyrazolyl)borate))-iron(III) 4-methoxypyridinium monohydrate, C24H32BN10O2Fe","Zeitschrift für Kristallographie - New Crystal Structures","2017","232","6","885","887","10.1515/ncrs-2017-0039","","","0.71073","MoKα","","0.0793","0.0482","","","0.1052","0.1194","","","","","","1.012","","","","has coordinates","280809","2023-02-07","10:30:56",""
"8106710","8.3882","0.0007","8.5024","0.0009","11.3649","0.0015","89.96","0.01","69.689","0.01","80.269","0.008","747.73","0.15","294.68","0.1","294.68","0.1","","","","","","","","5","P -1","-P 1","2","","","","- C38 H30 Cu N4 O4 -","- C38 H30 Cu N4 O4 -","- C38 H30 Cu N4 O4 -","1","0.5","","Li, Peng-Peng; Zhao, Li; Zhao, Ji-Xing; Zhu, Zhao-Bin; Wang, Fei; An, Qin-Qin","Synthesis and crystal structure of bis{1-(((4-(1-(hydroxyimino)ethyl)phenyl)imino)methyl)naphthalen-2-olato-κ2 O,N}copper(II), C38H30CuN4O4","Zeitschrift für Kristallographie - New Crystal Structures","2017","232","6","889","890","10.1515/ncrs-2017-0044","","","0.71073","MoKα","","0.1681","0.0701","","","0.0943","0.1308","","","","","","0.983","","","","has coordinates","280810","2023-02-07","10:34:58",""
"8106711","14.1712","0.0006","7.3611","0.0003","14.4212","0.0008","90","","90.665","0.005","90","","1504.26","0.12","290.92","0.1","290.92","0.1","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C19 H16 N2 O2 -","- C19 H16 N2 O2 -","- C76 H64 N8 O8 -","4","1","","Li, Peng-Peng; Zhao, Li; Zhao, Ji-Xing; Zhu, Zhao-Bin","Crystal structure of (E)-1-(4-{[(E)-2-Hydroxy-1-naphthalenylmethylene] amino}phenyl)ethanone oxime, C19H16N2O2","Zeitschrift für Kristallographie - New Crystal Structures","2017","232","6","891","892","10.1515/ncrs-2017-0046","","","0.71073","MoKα","","0.105","0.0633","","","0.1379","0.1648","","","","","","1.091","","","","has coordinates","280812","2023-02-08","08:31:27",""
"8106712","9.4457","0.0006","11.052","0.0007","14.6746","0.0009","100.779","0.001","102.738","0.001","93.065","0.001","1460.68","0.16","291","2","291","2","","","","","","","","4","P -1","-P 1","2","","","","- C19 H13 N O3 -","- C19 H13 N O3 -","- C76 H52 N4 O12 -","4","2","","Hong, Zhi; Zhan, Yan-Li; Yu, Dang-Ran; Li, Ying; Yuan, Wen-Jia; Zhang, Hong-Yu","The pseudosymmetric crystal structure of 2-(2-naphthalenyl)-3-nitro-2H-1-benzopyran, C38H26N2O6","Zeitschrift für Kristallographie - New Crystal Structures","2017","232","6","893","895","10.1515/ncrs-2017-0047","","","0.71073","MoKα","","0.0615","0.041","","","0.077","0.0911","","","","","","1.045","","","","has coordinates","280813","2023-02-08","08:38:56",""
"8106713","19.8907","0.0008","12.086","0.0005","15.526","0.0007","90","","120.588","0.001","90","","3213.1","0.2","296","2","296","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C19 H14 N2 O2 -","- C19 H14 N2 O2 -","- C152 H112 N16 O16 -","8","1","","You, Changming; Wang, Changqing","Crystal structure of 2-benzoyl-3-(4-methoxyphenyl)cyclopropane-1,1-dicarbonitrile, C19H14N2O2","Zeitschrift für Kristallographie - New Crystal Structures","2017","232","6","897","898","10.1515/ncrs-2017-0052","","","0.71073","MoKα","","0.095","0.0504","","","0.1181","0.1426","","","","","","1.024","","","","has coordinates","280814","2023-02-08","09:39:30",""
"8106714","9.2278","0.0016","15.093","0.003","12.698","0.002","90","","105.195","0.012","90","","1706.7","0.5","296","2","296","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C17 H21 N3 O5 -","- C17 H21 N3 O5 -","- C68 H84 N12 O20 -","4","1","","Mao, Pan-Dong; Yan, Ling-Ling; Wu, Wei-Na; Cai, Hong-Xin","N′-(5-ethoxycarbonyl-3,4-dimethyl-pyrrol-2-yl-methylidene)-4-hydroxybenzohydrazide monohydrate, C17H21N3O5","Zeitschrift für Kristallographie - New Crystal Structures","2017","232","6","899","900","10.1515/ncrs-2017-0057","","","0.71073","MoKα","","0.0842","0.0553","","","0.1459","0.1662","","","","","","1.059","","","","has coordinates,has disorder","280815","2023-02-08","09:44:58",""
"8106715","7.6656","0.0005","16.6097","0.0011","20.9423","0.0014","90","","90","","90","","2666.4","0.3","100","2","100","2","","","","","","","","7","P 21 21 21","P 2ac 2ab","19","","Carbonyl-[4-(2,4-dichlorophenylamino)pent-3-en-2-onato]-triphenylphosphine- rhodium(I)","","- C30 H25 Cl2 N O2 P Rh -","- C30 H25 Cl2 N O2 P Rh -","- C120 H100 Cl8 N4 O8 P4 Rh4 -","4","1","","Venter, Gertruida J.S.","The crystal structure of carbonyl-[4-(2,4-dichlorophenylamino)pent-3-en-2-onato-κ2 N,O]-(triphenylphosphine-κP)rhodium(I), RhC30H25Cl2NO2P","Zeitschrift für Kristallographie - New Crystal Structures","2017","232","6","901","903","10.1515/ncrs-2017-0059","","x-ray","0.71073","MoKα","","0.0828","0.065","","","0.142","0.1632","","","","","","1.055","","","","has coordinates","280816","2023-02-08","09:48:11",""
"8106716","18.528","0.006","8.123","0.002","20.797","0.006","90","","90","","90","","3130","1.6","296","2","296.15","","","","","","","","","4","P c a 21","P 2c -2ac","29","","","","- C15 H24 N2 O4 -","- C15 H24 N2 O4 -","- C120 H192 N16 O32 -","8","2","","Yuan, Lin; Li, Zhong-Yan; Yuan, Xian-You; Zhang, Min","Crystal structure of (E)-5-(diethylamino)-2-(((1,1,2-trihydroxyethyl)iminio)methyl)phenolate, C15H24N2O4","Zeitschrift für Kristallographie - New Crystal Structures","2017","232","6","905","907","10.1515/ncrs-2017-0063","","","0.71073","MoKα","","0.0453","0.0396","","","0.103","0.1082","","","","","","1.055","","","","has coordinates","280817","2023-02-08","09:51:18",""
"8106717","10.382","0.002","18.102","0.004","18.449","0.005","90","","123.32","0.02","90","","2897.3","1.3","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C34 H30 Cd N4 O4 -","- C34 H30 Cd N4 O4 -","- C136 H120 Cd4 N16 O16 -","4","1","","Xu, Chunying; Chu, Wenjuan; Cui, Lu; Li, Minghui","Crystal structure of poly[(μ2-1,4-bis((2-ethyl-1H-benzo[d]imidazol-1-yl)methyl)benzene-κ2 N:N′)(μ2-isophthalato-κ4 O,O′:O′′,O′′′)cadmium(II)], C34H30N4O4Cd","Zeitschrift für Kristallographie - New Crystal Structures","2017","232","6","909","911","10.1515/ncrs-2017-0076","","","0.71073","MoKα","","0.0723","0.054","","","0.0974","0.1069","","","","","","1.058","","","","has coordinates","280818","2023-02-08","09:54:10",""
"8106718","14.113","0.007","17.883","0.009","12.724","0.007","90","","108.218","0.009","90","","3050","3","293","2","293","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C36 H33 N O10 -","- C36 H33 N O10 -","- C144 H132 N4 O40 -","4","1","","Lou, Benyong; Huang, Yali; Zheng, Guocai; Lin, Qi","Crystal structure of 5,6-Dihydro-9,10-dimethoxybenzo[g]-1,3-benzodioxolo[5,6-a]chinolizinium 3-(4-hydroxyphenyl)-4-oxo-4H-chromen-7-olate - methanol - water (1/1/1), C36H33NO10","Zeitschrift für Kristallographie - New Crystal Structures","2017","232","6","913","915","10.1515/ncrs-2017-0077","","","0.71073","MoKα","","0.1141","0.0788","","","0.1767","0.1967","","","","","","1.139","","","","has coordinates","280819","2023-02-08","09:57:08",""
"8106719","8.7201","0.0008","8.6453","0.0009","11.8083","0.0009","90","","100.83","0.003","90","","874.35","0.14","173","2","173","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C9 H9 N O3 -","- C9 H9 N O3 -","- C36 H36 N4 O12 -","4","1","","Wei, Pengfei; Yang, Xiao-Li; Wang, Kun-Yan","A single crystal study on 2-(methylcarbamoyl)benzoic acid, C9H9NO3","Zeitschrift für Kristallographie - New Crystal Structures","2017","232","6","917","918","10.1515/ncrs-2017-0078","","","0.71073","MoKα","","0.0833","0.0489","","","0.1005","0.1142","","","","","","1.066","","","","has coordinates","280820","2023-02-08","10:01:27",""
"8106720","8.7538","0.0018","11.393","0.002","9.942","0.004","90","","97.5","0.03","90","","983.1","0.5","293","2","293","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C14 H28 Cl2 N4 O8 -","- C14 H28 Cl2 N4 O8 -","- C28 H56 Cl4 N8 O16 -","2","0.5","","Wen, Gao-Ju; Gu, Lian-Shuai","Crystal structure of the salt 1,1′-(ethane-1,2-diyl)bis(1,4-diazabicyclo[2.2.2]octan-1-ium) diperchlorate, C14H28N4(ClO4)2","Zeitschrift für Kristallographie - New Crystal Structures","2017","232","6","919","920","10.1515/ncrs-2017-0079","","","0.71073","MoKα","","0.0822","0.0706","","","0.1923","0.2036","","","","","","1.045","","","","has coordinates","280821","2023-02-08","10:03:41",""
"8106721","7.847","0.0016","7.939","0.0016","14.993","0.003","83.25","0.03","89.18","0.03","73.79","0.03","890.5","0.3","293","2","293","2","","","","","","","","4","P -1","-P 1","2","","","","- C21 H14 F6 O -","- C21 H14 F6 O -","- C42 H28 F12 O2 -","2","1","","Zhang, Wenxin; Qiu, Chenyu; Li, Shanshan; Zhou, Lina; Hu, Mengwei; Chen, Xiaojing; Yu, Bin; Hong, Yan; Liu, Zhiguo; Xia, Qinqin","Crystal structure of 2,5-bis((E)-2-(trifluoromethyl)benzylidene)cyclopentan-1-one, C21H14F6O","Zeitschrift für Kristallographie - New Crystal Structures","2017","232","6","921","922","10.1515/ncrs-2017-0080","","","0.71073","MoKα","","0.1659","0.0636","","","0.1018","0.1261","","","","","","0.982","","","","has coordinates","280822","2023-02-08","10:06:34",""
"8106722","10.2889","0.0006","10.6034","0.0005","12.9576","0.0008","105.984","0.005","109.785","0.006","93.257","0.004","1261.06","0.14","293","2","293","2","","","","","","","","6","P -1","-P 1","2","","","","- C50 H53 F2 N6 O16.5 Zn2 -","- C50 H53 F2 N6 O16.5 Zn2 -","- C50 H53 F2 N6 O16.5 Zn2 -","1","0.5","","Hu, Yong-Jun; Jin, Lie; Zhu, Ling; Zhou, Tian","Crystal structure of catena-poly[(μ2-benzene-1,4-dicarboxylato-κ2 O:O′)-(1-ethyl-6-fluoro-7-(4-methylpiperazin-1-ium-1-yl)-4-oxo-1,4-dihydroquinoline-3-carboxylato-κ2 O,O′)zinc(II)] 1.25 hydrate, C25H26.5N3O8.25FZn","Zeitschrift für Kristallographie - New Crystal Structures","2017","232","6","923","925","10.1515/ncrs-2017-0082","","","0.71073","MoKα","","0.0439","0.0344","","","0.0734","0.0783","","","","","","1.053","","","","has coordinates","280823","2023-02-08","10:09:51",""
"8106723","13.907","0.003","10.927","0.002","19.194","0.004","90","","90","","90","","2916.8","1","298","2","298","2","","","","","","","","6","P b c a","-P 2ac 2ab","61","","","","- C7 H17 Cl2 N2 Na O9 -","- C7 H17 Cl2 N2 Na O9 -","- C56 H136 Cl16 N16 Na8 O72 -","8","1","","Liu, Mei-Ying","Crystal structure of 1-methyl-1,4-diazabicyclo[2.2.2]octan-1-ium poly[aqua-bis(μ2-perchlorato-κ3 O,O′:O′′)sodium], C7H17Cl2N2NaO9","Zeitschrift für Kristallographie - New Crystal Structures","2017","232","6","927","928","10.1515/ncrs-2017-0083","","","0.71073","MoKα","","0.0613","0.0472","","","0.1066","0.1129","","","","","","1.077","","","","has coordinates","280824","2023-02-08","10:12:51",""
"8106724","13.753","0.003","6.9471","0.0015","13.797","0.003","90","","90","","90","","1318.2","0.5","296","2","296","2","","","","","","","","4","P n m a","-P 2ac 2n","62","","","","- C11 H16 N2 O7 -","- C11 H16 N2 O7 -","- C44 H64 N8 O28 -","4","0.5","","Zeng, Huahui; Shen, Qianjin","Crystal structure of trimethyammonium 2,6-dicarboxyisonicotinate monohydrate, C11H16N2O7","Zeitschrift für Kristallographie - New Crystal Structures","2017","232","6","929","930","10.1515/ncrs-2017-0085","","","0.71073","MoKα","","0.0476","0.0386","","","0.135","0.165","","","","","","0.671","","","","has coordinates","280825","2023-02-08","10:15:25",""
"8106725","19.556","0.004","20.105","0.004","20.573","0.004","90","","90","","90","","8089","3","296","2","296","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C21.5 H64 N19 O10.5 -","- C21.5 H64 N19 O10.5 -","- C172 H512 N152 O84 -","8","1","","Zhu, Xin; Liu, Xianghua","Crystal structure of dodecaguanidinium bis(tetrapropylammonium) heptacarbonate, C43H128N38O21","Zeitschrift für Kristallographie - New Crystal Structures","2017","232","6","931","933","10.1515/ncrs-2017-0086","","","0.71073","MoKα","","0.1397","0.0592","","","0.0932","0.1028","","","","","","0.936","","","","has coordinates","280826","2023-02-08","10:17:54",""
"8106726","17.8995","0.0009","7.5278","0.0004","19.9682","0.001","90","","109.592","0.001","90","","2534.8","0.2","296","2","296","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C20 H16 Ni O22 Y2 -","- C20 H16 Ni O22 Y2 -","- C80 H64 Ni4 O88 Y8 -","4","0.5","","Zhao, Chong-Yang; Zhao, Dan; Nie, Cong-Kui","Crystal structure of poly[tetraaqua-bis(μ6-benzene-1,2,4,5-tetracarboxylato)nickel(II)diyttrium(III)]dihydrate, C20H16NiO22Y2","Zeitschrift für Kristallographie - New Crystal Structures","2017","232","6","935","936","10.1515/ncrs-2017-0087","","","0.71073","MoKα","","0.0358","0.0298","","","0.0719","0.0744","","","","","","1.021","","","","has coordinates","280827","2023-02-08","10:20:21",""
"8106727","7.5581","0.0004","20.9303","0.0011","9.3548","0.0005","90","","92.208","0.005","90","","1478.77","0.14","290","","293","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C9 H7 F3 I3 N O -","- C9 H7 F3 I3 N O -","- C36 H28 F12 I12 N4 O4 -","4","1","","Dang, Limin; Yang, Jiangnan; Liu, Hui; Wang, Weizhou","Halogen bonds and π–π interactions in the crystal structure of 1,3,5-trifluoro-2,4,6-triiodobenzene–N,N-dimethylformamide (1/1), C9H7F3I3NO","Zeitschrift für Kristallographie - New Crystal Structures","2017","232","6","937","938","10.1515/ncrs-2017-0089","","x-ray","0.71073","MoKα","","0.0422","0.0336","","","0.0581","0.061","","","","","","1.078","","","","has coordinates","280828","2023-02-08","10:22:46",""
"8106728","18.1934","0.0005","7.2548","0.0001","11.8168","0.0002","90","","90","","90","","1559.69","0.05","296","2","296","2","","","","","","","","4","P n a 21","P 2c -2n","33","","","","- C10 H30 N4 O5 -","- C10 H30 N4 O5 -","- C40 H120 N16 O20 -","4","1","","Li, Xiaokun; Zhu, Linlin","Crystal structure of guanidinium tetraethylammonium carbonate dihydrate, C10H30N4O5","Zeitschrift für Kristallographie - New Crystal Structures","2017","232","6","939","940","10.1515/ncrs-2017-0091","","","0.71073","MoKα","","0.0456","0.0358","","","0.0913","0.0978","","","","","","1.031","","","","has coordinates","280829","2023-02-08","10:26:19",""
"8106729","6.6666","0.0003","6.6892","0.0004","8.8779","0.0006","101.34","0.005","99.624","0.005","91.279","0.004","382.09","0.04","294.28","0.15","294.28","0.15","","","","","","","","6","P 1","P 1","1","","","","- C10 H17 Cl N2 O10 Sn -","- C10 H17 Cl N2 O10 Sn -","- C10 H17 Cl N2 O10 Sn -","1","1","","Fu, Zhihai; Chen, Bo; He, Aidang; Lv, Xia; Wei, Xin; Feng, Xiaojie; Huang, Chao; Xia, ChuanQin; Jin, Yongdong","The crystal structure of oxonium chlorido-ethylenediaminetetraactetotin(IV) hydrate, C10H17ClN2O10Sn","Zeitschrift für Kristallographie - New Crystal Structures","2017","232","6","941","942","10.1515/ncrs-2017-0092","","x-ray","0.71073","MoKα","","0.0318","0.0318","","","0.0725","0.0726","","","","","","1.027","","","","has coordinates","280830","2023-02-08","10:28:53",""
"8106730","8.035","0.003","10.387","0.004","13.126","0.005","83.831","0.01","78.214","0.01","81.47","0.01","1057.2","0.7","296","2","296","2","","","","","","","","4","P -1","-P 1","2","","","","- C26 H22 N2 O4 -","- C26 H22 N2 O4 -","- C52 H44 N4 O8 -","2","1","","Li, Jing; Jia, Hao-Ran; Sun, Yin-Xia","Crystal structure of 8-((E)-((4-((E)-1-((benzyloxy)imino)ethyl)phenyl)imino)methyl)-7-hydroxy-4-methyl-2H-chromen-2-one, C26H22N2O4","Zeitschrift für Kristallographie - New Crystal Structures","2017","232","6","943","945","10.1515/ncrs-2017-0093","","","0.71073","MoKα","","0.1048","0.0663","","","0.1616","0.183","","","","","","0.996","","","","has coordinates","280833","2023-02-09","08:30:28",""
"8106731","10.59","0.004","7.273","0.003","23.345","0.009","90","","102.347","0.007","90","","1756.5","1.2","296","2","296","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C40 H38 Cu N4 O6 -","- C40 H38 Cu N4 O6 -","- C80 H76 Cu2 N8 O12 -","2","0.5","","Li, Jing; Jia, Hao-Ran; Sun, Yin-Xia","Crystal structure of bis{5-(diethylamino)-2-(((2-oxo-2H-chromen-6-yl)imino)methyl)phenolato-κ2 O,N}copper(II), C40H38CuN4O6","Zeitschrift für Kristallographie - New Crystal Structures","2017","232","6","947","949","10.1515/ncrs-2017-0094","","","0.71073","MoKα","","0.1296","0.0682","","","0.1876","0.2373","","","","","","0.909","","","","has coordinates","280834","2023-02-09","08:33:36",""
"8106732","12.733","0.005","18.668","0.005","24.779","0.005","101.442","0.005","100.844","0.005","104.24","0.005","5419","3","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","","","- C29 H28 O5 P Re -","- C29 H28 O5 P Re -","- C232 H224 O40 P8 Re8 -","8","4","","Manicum, Amanda-Lee; Schutte-Smith, Marietjie; Visser, Hendrik G.","Crystal structure of fac-(acetylacetonato-κ 2 O,O′)tricarbonyl(tri(p-tolyl)phosphine-κP)rhenium(I), C29H28O5PRe","Zeitschrift für Kristallographie - New Crystal Structures","2017","232","6","951","955","10.1515/ncrs-2017-0095","","","0.71069","MoKα","","0.0393","0.0307","","","","0.0772","","","","","","1.038","","","","has coordinates","280835","2023-02-09","08:36:37",""
"8106733","9.0305","0.0017","12.084","0.002","12.403","0.002","89.688","0.006","70.083","0.006","76.315","0.006","1232.2","0.4","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","","","- C27 H24 O5 P Re -","- C27 H24 O5 P Re -","- C54 H48 O10 P2 Re2 -","2","1","","Manicum, Amanda-Lee; Alexander, Orbett; Schutte-Smith, Marietjie; Visser, Hendrik G.; Roodt, Andreas","Crystal structure of fac-(acetylacetonato-κ2 O,O′)tricarbonyl(benzyldiphenylphosphine-κP)rhenium(I), C27H24O5PRe","Zeitschrift für Kristallographie - New Crystal Structures","2017","232","6","957","959","10.1515/ncrs-2017-0097","","","0.71073","MoKα","","0.0197","0.018","","","0.0421","0.0432","","","","","","1.083","","","","has coordinates","280836","2023-02-09","08:41:38",""
"8106734","8.9705","0.0006","12.0309","0.0008","18.4209","0.0013","96.303","0.002","103.884","0.002","101.636","0.002","1864","0.2","296","2","296","2","","","","","","","","5","P -1","-P 1","2","","","","- C46 H38 Mn N3 O8 -","- C46 H38 Mn N3 O8 -","- C92 H76 Mn2 N6 O16 -","2","1","","Li, Jing; Jia, Hao-Ran; Sun, Yin-Xia","Crystal structure of triethylammonium bis{3-(((3-oxidonaphthalen-1-yl)methylene)amino)-2-oxo-2H-chromen-4-olato-κ3 O,N,O′}manganese(III), C46H38MnN3O8","Zeitschrift für Kristallographie - New Crystal Structures","2017","232","6","961","963","10.1515/ncrs-2017-0099","","","0.71073","MoKα","","0.072","0.0496","","","0.1162","0.1274","","","","","","1.029","","","","has coordinates","280837","2023-02-09","08:44:32",""
"8106735","9.2236","0.0009","15.1503","0.0014","12.2198","0.0012","90","","109.683","0.002","90","","1607.8","0.3","173","2","173","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C12 H32 N2 Pd Se14 -","- C12 H32 N2 Pd Se14 -","- C24 H64 N4 Pd2 Se28 -","2","0.5","","Kim, Kang-Woo; Wang, Di","Crystal structure of bis(N,N,N-ethyldimethylethanaminium) bis(heptaselenido-κ 2 Se 1,Se 7)palladate(II), C12H32N2PdSe14","Zeitschrift für Kristallographie - New Crystal Structures","2017","232","6","965","967","10.1515/ncrs-2017-0101","","","0.71073","MoKα","","0.0641","0.0397","","","0.0873","0.0958","","","","","","1.003","","","","has coordinates","280838","2023-02-09","09:04:18",""
"8106736","9.7056","0.0002","14.3244","0.0003","15.3626","0.0003","90","","99.754","0.001","90","","2104.94","0.07","296","2","296","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C44 H34 Cd Cl4 N8 O4 -","- C44 H34 Cd Cl4 N8 O4 -","- C88 H68 Cd2 Cl8 N16 O8 -","2","0.5","","Guo, Jin-Bo; Li, Shi-Hui","Crystal structure of bis(4-(1H-pyrazol-5-yl)pyridine-κ2 N:N′)-bis(2-(2-((2,6-difluorophenyl)amino)phenyl)acetate-κO)cadmium(II), C44H34N8CdCl4O4","Zeitschrift für Kristallographie - New Crystal Structures","2017","232","6","969","970","10.1515/ncrs-2017-0102","","","0.71073","MoKα","","0.0357","0.0271","","","0.0593","0.0632","","","","","","1.042","","","","has coordinates","280839","2023-02-09","09:43:15",""
"8106737","7.2548","0.0002","11.7056","0.0004","14.6024","0.0004","72.687","0.003","82.667","0.002","73.303","0.003","1132.76","0.06","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C48 H42 Ca N2 O22 -","- C48 H42 Ca N2 O22 -","- C48 H42 Ca N2 O22 -","1","0.5","","Li, Dong-Mi; Li, Shi-Hui","Crystal structure of 4,4′-(1,4-phenylene)bis(pyridin-1-ium) catena-poly[diaqua-bis(μ2-3′,5′-dicarboxy-[1,1′-biphenyl]-2,5-dicarboxylato-κ2 O:O′] dihydrate, C48H42O22N2Ca","Zeitschrift für Kristallographie - New Crystal Structures","2017","232","6","971","973","10.1515/ncrs-2017-0104","","","0.71073","MoKα","","0.0482","0.0403","","","0.0941","0.0993","","","","","","1.054","","","","has coordinates","280840","2023-02-09","09:47:16",""
"8106738","9.922","0.002","9.96","0.002","10.967","0.002","90","","90","","90","","1083.8","0.4","293","2","293","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C11 H12 O4 -","- C11 H12 O4 -","- C44 H48 O16 -","4","1","","Zhang, Yun-Peng; Li, Bing","The crystal structure of (S)-2-benzylsuccinic acid, C11H12O4","Zeitschrift für Kristallographie - New Crystal Structures","2017","232","6","975","976","10.1515/ncrs-2017-0106","","","0.71073","MoKα","","0.0986","0.0505","","","0.1277","0.1861","","","","","","1.085","","","","has coordinates","280841","2023-02-09","09:50:04",""
"8106739","8.9349","0.0007","9.3488","0.0012","28.1854","0.0018","90","","95.061","0.007","90","","2345.2","0.4","293","2","293","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C26 H17 N2 O9 Y -","- C26 H17 N2 O9 Y -","- C104 H68 N8 O36 Y4 -","4","1","","Duan, Ying; Zang, Jia","Crystal structure of poly[aqua-(μ3-4-(pyridin-4-yl)isophthalato-κ4 O,O′:O′′:O′′′)-(μ2-5-carboxy-2-(pyridin-4-yl)benzoato-κ2 O:O′)yttrium(III)], C26H17N2O9Y","Zeitschrift für Kristallographie - New Crystal Structures","2017","232","6","977","978","10.1515/ncrs-2017-0110","","","0.71073","MoKα","","0.0967","0.0496","","","0.1123","0.1248","","","","","","1.16","","","","has coordinates","280842","2023-02-09","10:02:41",""
"8106740","14.9289","0.0007","7.807","0.0004","12.4664","0.0007","90","","106.821","0.004","90","","1390.79","0.13","295","2","295","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C14 H17 N3 O2 -","- C14 H17 N3 O2 -","- C56 H68 N12 O8 -","4","1","","Brito, Iván; Kesternich, Victor; Pérez-Ferhmann, Marcia; Narea, Pilar; Cárdenas, Alejandro","Crystal structure of ethyl 1-(3,4-dimethylphenyl)-5-methyl-1H-1,2,3-triazole-4-carboxylate, C14H17N3O2","Zeitschrift für Kristallographie - New Crystal Structures","2017","232","6","979","980","10.1515/ncrs-2017-0112","","","1.54178","CuKα","","0.1349","0.0646","","","0.1411","0.1682","","","","","","0.973","","","","has coordinates","280843","2023-02-09","10:06:15",""
"8106741","9.6906","0.0006","7.9055","0.0005","24.0501","0.0018","90","","99.878","0.007","90","","1815.1","0.2","293","2","293","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C38 H38 N2 O14 Zn2 -","- C38 H38 N2 O14 Zn2 -","- C76 H76 N4 O28 Zn4 -","2","0.5","","Li, Jing; Jia, Hao-Ran; Sun, Yin-Xia","Crystal structure of tetrakis(methanol-κO)-bis{μ2-3-((4-methoxy-2-oxidobenzylidene)amino)-2-oxo-2H-chromen-4-olate-κ4 O,N;O′:O′}dizinc(II), C38H38Zn2N2O14","Zeitschrift für Kristallographie - New Crystal Structures","2017","232","6","981","983","10.1515/ncrs-2017-0113","","","0.71073","MoKα","","0.063","0.0474","","","0.1028","0.1143","","","","","","1.045","","","","has coordinates","280844","2023-02-09","10:08:56",""
"8106742","15.5806","0.001","10.5071","0.001","16.9748","0.0015","90","","110.729","0.002","90","","2599","0.4","120","2","120","2","","","","","","","","7","C 1 c 1","C -2yc","9","bromido(4,4'-dimethoxy-2,2'-bipyridine-N,N')(isopropyl(diphenyl)phosphane-κP)copper(I)","","","- C27 H29 Br Cu N2 O2 P -","- C27 H29 Br Cu N2 O2 P -","- C108 H116 Br4 Cu4 N8 O8 P4 -","4","1","","Fettouhi, Mohammed","Crystal structure of bromido(4,4′-dimethoxy-2,2′-bipyridine-κ2 N,N′)(isopropyl(diphenyl)phosphane-κP)copper(I), C27H29BrCuN2O2P","Zeitschrift für Kristallographie - New Crystal Structures","2017","232","6","985","986","10.1515/ncrs-2017-0119","","","0.71073","MoKα","","0.02","0.0186","","","0.0441","0.0445","","","","","","0.891","","","","has coordinates","280845","2023-02-09","10:11:58",""
"8106743","12.8189","0.0008","13.4808","0.0009","14.1592","0.0012","110.394","0.003","90.17","0.001","115.623","0.003","2033.5","0.3","296","2","296","2","","","","","","","","4","P -1","-P 1","2","","","","- C41 H64 B2 O4 -","- C41 H64 B2 O4 -","- C82 H128 B4 O8 -","2","1","","Liu, Yingfan; Mao, Kaiming; Li, Xiaochuan; Son, Young-A","Crystal structure of bis(4,4,5,5-tetramethyl-1,3,2-dioxaborolane)-9,9-dioctylfluorene, C41H64B2O4","Zeitschrift für Kristallographie - New Crystal Structures","2017","232","6","987","989","10.1515/ncrs-2017-0120","","","0.71073","MoKα","","0.1145","0.0562","","","0.1406","0.1629","","","","","","0.921","","","","has coordinates,has disorder","280846","2023-02-09","10:15:15",""
"8106744","9.8019","0.0001","14.4917","0.0002","9.6672","0.0001","90","","112.027","0.0007","90","","1272.95","0.03","296","2","296","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C16 H15 N O3 -","- C16 H15 N O3 -","- C64 H60 N4 O12 -","4","1","","Liu, Yingfan; Mao, Kaiming; Li, Xiaochuan; Son, Young-A","Crystal structure of 11-oxo-2,3,6,7-tetrahydro-1H,5H,11H-pyrano[2,3-f]pyrido[3,2,1-ij]quinoline-10-carbaldehyde - a julolidine derivative, C16H15NO3","Zeitschrift für Kristallographie - New Crystal Structures","2017","232","6","991","992","10.1515/ncrs-2017-0121","","","0.71073","MoKα","","0.0604","0.0422","","","0.1162","0.1249","","","","","","1.035","","","","has coordinates","280847","2023-02-09","10:17:46",""
"8106745","9.13","0.0018","16.17","0.003","24","0.005","90","","90","","90","","3543.2","1.2","293","2","293","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","Crystal structure of 1,3-dimethyl-5,5-disbenzyl barbituric acid","","- C20 H20 N2 O3 -","- C20 H20 N2 O3 -","- C160 H160 N16 O24 -","8","1","","Wei, Ya-Nan; Li, Chuan-Bi; Li, Xue; Sun, Han-Yang","Crystal structure of 1,3-dimethyl-5,5-dibenzylbarbituric acid, C20H20N2O3","Zeitschrift für Kristallographie - New Crystal Structures","2017","232","6","993","994","10.1515/ncrs-2017-0124","","","0.71073","MoKα","","0.0676","0.0478","","","0.1274","0.1434","","","","","","1.029","","","","has coordinates","280848","2023-02-09","10:20:22",""
"8106746","9.4146","0.0007","14.3446","0.0011","12.4731","0.0009","90","","113.403","0.002","90","","1545.9","0.2","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C10 H28 N2 Pd Se14 -","- C10 H28 N2 Pd Se14 -","- C20 H56 N4 Pd2 Se28 -","2","0.5","","Wang, Di; Yun, Hoseop; Kim, Kang-Woo","Crystal structure of bis(N,N,N-trimethylethanaminium) poly[bis(μ2-heptaselenido-κ2Se1,Se7)palladate(II)], C10H28N2PdSe14","Zeitschrift für Kristallographie - New Crystal Structures","2017","232","6","995","997","10.1515/ncrs-2017-0126","","","0.71073","MoKα","","0.1324","0.051","","","0.1008","0.1446","","","","","","1.039","","","","has coordinates,has disorder","280849","2023-02-09","10:23:50",""
"8106747","17.789","0.002","7.1127","0.0007","6.2885","0.0006","90","","97.513","0.01","90","","788.84","0.14","290.83","0.1","290.83","0.1","","","","","","","","5","P 1 c 1","P -2yc","7","","","","- C17 H17 Cl N2 O2 -","- C17 H17 Cl N2 O2 -","- C34 H34 Cl2 N4 O4 -","2","1","","Zhao, Ji-Xing; Zhao, Li; Liu, Guo-Hua; Li, Peng-Peng; Zhu, Zhao-Bin","Crystal structure of 1-{4-[(5-Chloro-2-hydroxy-benzylidene)amino]phenyl} ethanone O-ethyl-oxime, C17H17ClN2O2","Zeitschrift für Kristallographie - New Crystal Structures","2017","232","6","999","1001","10.1515/ncrs-2017-0129","","x-ray","0.71073","MoKα","","0.083","0.06","","","0.1399","0.1651","","","","","","1.058","","","","has coordinates","280850","2023-02-09","10:26:15",""
"8106748","10.1313","0.0003","8.5416","0.0004","20.4597","0.0007","90","","90","","90","","1770.53","0.12","296","2","296","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C8 H8 Br N O2 -","- C8 H8 Br N O2 -","- C64 H64 Br8 N8 O16 -","8","1","","Karczmarzyk, Zbigniew; Pitucha, Monika; Wysocki, Waldemar; Morawiak, Maja; Sobótka-Polska, Karolina; Urbańczyk-Lipkowska, Zofia","The crystal structure of methyl N-(4-bromophenyl)carbamate, C8H8BrNO2","Zeitschrift für Kristallographie - New Crystal Structures","2017","232","6","1003","1004","10.1515/ncrs-2017-0130","","","1.54178","CuKα","","0.0453","0.0394","","","0.112","0.1214","","","","","","1.079","","","","has coordinates","280851","2023-02-09","10:31:26",""
"8106749","13.5809","0.0012","9.7794","0.0014","9.8883","0.0009","90","","97.972","0.009","90","","1300.6","0.3","290.83","0.1","290.83","0.1","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C15 H14 N2 O2 -","- C15 H14 N2 O2 -","- C60 H56 N8 O8 -","4","1","","Li, Peng-Peng; Zhao, Li; Liu, Guo-Hua; Zhao, Ji-Xing; Zhu, Zhao-Bin","Synthesis and crystal structure of 1-{4-[(2-hydroxy-benzylidene)amino]phenyl}ethanone oxime, C15H14N2O2","Zeitschrift für Kristallographie - New Crystal Structures","2017","232","6","1005","1006","10.1515/ncrs-2017-0134","","x-ray","0.71","MoKα","","0.1334","0.0635","","","0.1278","0.1758","","","","","","1.034","","","","has coordinates","280852","2023-02-09","10:34:05",""
"8106750","7.388","0.004","8.499","0.004","9.347","0.004","90.198","0.005","106.496","0.005","113.042","0.005","513.5","0.4","296","2","296","2","","","","","","","","5","P -1","-P 1","2","","","","- C12 H20 F12 N4 P2 -","- C12 H20 F12 N4 P2 -","- C12 H20 F12 N4 P2 -","1","0.5","","Wan-Ming, Xiong; Jing, Chen; Da-Yong, Peng; Xu-Liang, Nie; Huang, Chang-gan","Crystal structure of 1,1′-butanebis(3-methyl-1H-imidazol-3-ium)bis(hexafluorophosphate), C12H20F12N4P2","Zeitschrift für Kristallographie - New Crystal Structures","2017","232","6","1007","1008","10.1515/ncrs-2017-0135","","","0.71073","MoKα","","0.0717","0.0652","","","0.1938","0.2037","","","","","","1.081","","","","has coordinates","280853","2023-02-09","10:36:18",""
"8106751","11.439","0.003","8.868","0.002","20.557","0.005","90","","104.542","0.004","90","","2018.5","0.9","296","2","296","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C23 H20 N4 S -","- C23 H20 N4 S -","- C92 H80 N16 S4 -","4","1","","Ding, Qichun; Dai, Shudong; Guo, Hongxu; Zhang, Li-Xue","(E)-N-benzylidene-3-(benzylthio)-5-p-tolyl-4H-1,2,4-triazol-4-amine, C23H20N4S","Zeitschrift für Kristallographie - New Crystal Structures","2017","232","6","1009","1010","10.1515/ncrs-2017-0138","","","0.71073","MoKα","","0.0694","0.0449","","","0.1148","0.1266","","","","","","1.048","","","","has coordinates","280854","2023-02-09","10:39:22",""
"8106752","12.0258","0.0015","8.0563","0.001","12.4478","0.0013","90","","104.157","0.004","90","","1169.4","0.2","293","2","293","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C11 H12 N4 O2 -","- C11 H12 N4 O2 -","- C44 H48 N16 O8 -","4","1","","Brito, Iván; Kesternich, Victor; Pérez-Fehrmann, Marcia; Araneda, Catherine; Cárdenas, Alejandro","Crystal structure of ethyl 5-methyl-1-(pyridin-3-yl)-1H-1,2,3-triazole-4-carboxylate, C11H12N4O2","Zeitschrift für Kristallographie - New Crystal Structures","2017","232","6","1011","1012","10.1515/ncrs-2017-0139","","","0.71073","MoKα","","0.0889","0.0619","","","0.1446","0.1616","","","","","","1.054","","","","has coordinates","280856","2023-02-13","08:19:13",""
"8106753","10.8885","0.0006","13.9767","0.0008","18.133","0.001","79.3484","0.0019","86.2213","0.0009","73.461","0.002","2599.6","0.3","296","2","296","2","","","","","","","","5","P -1","-P 1","2","","","","- C19 H18 B F3 N2 -","- C19 H18 B F3 N2 -","- C114 H108 B6 F18 N12 -","6","3","","Liu, Yingfan; Yan, Ming; Li, Xiaochuan; Li, Yajuan; Son, Young-A","Crystal structure of 5,5-difluoro-10-(4-fluorophenyl)-1,3,7,9-tetramethyl-5H-4l4,5l4-dipyrrolo[1,2-c:2′,1′-f][1,3,2]diazaborinine - a Z′ = 3 structure, C19H18B2F3N2","Zeitschrift für Kristallographie - New Crystal Structures","2017","232","6","1013","1015","10.1515/ncrs-2017-0143","","","0.71073","MoKα","","0.1344","0.045","","","0.0897","0.1105","","","","","","0.801","","","","has coordinates","280857","2023-02-13","08:21:37",""
"8106754","8.6213","0.0001","18.2577","0.0001","25.6873","0.0002","90","","90","","90","","4043.31","0.06","293","2","293","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C23 H31 N3 O2 -","- C23 H31 N3 O2 -","- C184 H248 N24 O16 -","8","2","","Xing-An, Cheng; Zhan-Mei, Liu; Wei-Xin, Liang; Bo, Wu; Xu-Hong, Jiang","The crystal structure of the Matrine derivative: 12-(1H-indol-1-yl)dodecahydro-1H,5H,10H-dipyrido[2,1-f:3′,2′,1′-ij][1,6]naphthyridin-10-one hydrate, C23H29N3O","Zeitschrift für Kristallographie - New Crystal Structures","2017","232","6","1017","1019","10.1515/ncrs-2017-0144","","","1.54178","CuKα","","0.0318","0.0305","","","0.0793","0.0807","","","","","","1.001","","","","has coordinates","280858","2023-02-13","08:28:11",""
"8106755","15.7024","0.0012","12.6169","0.001","29.715","0.002","90","","91.919","0.001","90","","5883.7","0.8","273","2","273","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","tris(μ2-1,3-bis(4,4,4-Trifluoro-3-oxido-1-(oxo)but-2-en-1-yl)phenyl)- bis(1,2-dimethoxyethane-O,O')-di-Lutetium(iii)","","- C50 H38 F18 Lu2 O16 -","- C50 H38 F18 Lu2 O16 -","- C200 H152 F72 Lu8 O64 -","4","0.5","","Zhao, WeiCan; Shi, Jing; Hou, YanJun","The crystal structure of tris(μ2-1,3-bis(4,4,4-trifluoro-3-oxido-1-(oxo)but-2-en-1-yl)phenyl-κ4 O,O′:O′′,O′′′)-bis(1,2-dimethoxyethane-κ2 O,O′)dilutetium(III), C50H38F18Lu2O16","Zeitschrift für Kristallographie - New Crystal Structures","2017","232","6","1021","1022","10.1515/ncrs-2017-0145","","","0.71073","MoKα","","0.0327","0.0273","","","0.0633","0.066","","","","","","0.959","","","","has coordinates,has disorder","280859","2023-02-13","08:30:58",""
"8106756","6.8425","0.0007","14.1931","0.0016","17.0132","0.0017","90","","101.144","0.003","90","","1621.1","0.3","293","2","296","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C17 H12 Cl N3 O4 -","- C17 H12 Cl N3 O4 -","- C68 H48 Cl4 N12 O16 -","4","1","","Wang, Su; Liu, Han-Yu; Sun, Juan","The crystal structure of (Z)-2-(3-(2-(4-chlorobenzoyl)hydrazono)-2-oxoindolin-1-yl) acetic acid, C17H12ClN3O4","Zeitschrift für Kristallographie - New Crystal Structures","2017","232","6","1023","1024","10.1515/ncrs-2017-0149","","","0.71073","MoKα","","0.0911","0.0522","","","0.1001","0.1171","","","","","","1.055","","","","has coordinates","280860","2023-02-13","08:33:50",""
"8106757","18.2239","0.0013","7.1282","0.0006","17.855","0.0013","90","","97.883","0.002","90","","2297.5","0.3","293","2","293","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C36 H48 Co N2 O28 S2 -","- C36 H48 Co N2 O28 S2 -","- C72 H96 Co2 N4 O56 S4 -","2","0.5","","Chen, Hai-Lin; Lai, Hong-Fang; Wei, Lian-Qiang; Jiang, Li-Rong; Su, Yan-Xiang","Synthesis and crystal structure of trans-tetraqua-bis(2-(((7-hydroxy-3-(4-hydroxy-3-sulfonatophenyl)-4-oxo-4H-chromen-8-yl)methyl)ammonio)acetato-κO)cobalt(II) hexahydrate, C36H48CoN2O28S2","Zeitschrift für Kristallographie - New Crystal Structures","2017","232","6","1025","1027","10.1515/ncrs-2017-0153","","","0.71073","MoKα","","0.1853","0.0906","","","0.1667","0.1998","","","","","","1.025","","","","has coordinates","280861","2023-02-13","08:37:30",""
"8106758","12.2422","0.0016","7.1996","0.001","39.037","0.005","90","","90","","90","","3440.7","0.8","293","2","293","2","","","","","","","","3","P b c a","-P 2ac 2ab","61","","","","- C20 H21 N3 -","- C20 H21 N3 -","- C160 H168 N24 -","8","1","","Zhang, Zhi-Mao; Chen, Lian-Hui","The crystal structure of N,N-dimethyl-2,6-di-p-tolylpyrimidin-4-amine, C20H21N3","Zeitschrift für Kristallographie - New Crystal Structures","2017","232","6","1029","1030","10.1515/ncrs-2017-0161","","","0.71073","MoKα","","0.0786","0.0686","","","0.1663","0.1723","","","","","","1.164","","","","has coordinates","280862","2023-02-13","08:40:41",""
"8106759","5.6735","0.0011","10.509","0.002","12.18","0.002","93.76","0.03","95.11","0.03","98.13","0.03","713.8","0.2","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C14 H13 N3 O4 S -","- C14 H13 N3 O4 S -","- C28 H26 N6 O8 S2 -","2","1","","Xi-Shi, Tai; Peng-Fei, Li","The crystal structure (E)-4-methyl-N′-(2-nitrobenzylidene)benzenesulfonohydrazide, C14H13N3O4S","Zeitschrift für Kristallographie - New Crystal Structures","2017","232","6","1031","1032","10.1515/ncrs-2017-0166","","","0.71073","MoKα","","0.0473","0.0446","","","0.1148","0.1179","","","","","","1.072","","","","has coordinates","280863","2023-02-13","08:44:18",""
"8106760","9.724","0.003","10.173","0.003","14.642","0.004","70.38","0.003","85.642","0.004","63.925","0.003","1221.1","0.6","296","2","296","2","","","","","","","","5","P -1","-P 1","2","","","","- C26 H24 N4 O6 Zn -","- C26 H24 N4 O6 Zn -","- C52 H48 N8 O12 Zn2 -","2","1","","Zhou, Zhan; Zhou, Zhe; Jing, Peng-Jing","Crystal structure of catena-poly[(μ2-1,3-bis(benzimidazol-1-yl)propane κ2 N:N′)-(μ2-5-methoxyisophthalato-κ2 O:O′)zinc(II)] hydrate, C26H24ZnN4O6","Zeitschrift für Kristallographie - New Crystal Structures","2017","232","6","1033","1035","10.1515/ncrs-2017-0169","","","0.71073","MoKα","","0.0659","0.0411","","","0.0862","0.0981","","","","","","1.007","","","","has coordinates","280864","2023-02-13","08:46:50",""
"8106761","6.4662","0.0013","7.1213","0.0014","15.373","0.003","80.09","0.03","88.4","0.03","74.81","0.03","672.9","0.3","293","2","293","2","","","","","","","","4","P -1","-P 1","2","","","","- C15 H13 N3 O3 -","- C15 H13 N3 O3 -","- C30 H26 N6 O6 -","2","1","","Li-Hua, Wang; Xi-Shi, Tai","The crystal structure of (E)-N′-(quinolin-2-ylmethylene)furan-2-carbohydrazide monohydrate, C15H13N3O3","Zeitschrift für Kristallographie - New Crystal Structures","2017","232","6","1037","1038","10.1515/ncrs-2017-0170","","","0.71073","MoKα","","0.0553","0.0503","","","0.1446","0.1572","","","","","","1.047","","","","has coordinates","280865","2023-02-13","08:50:45",""
"8106762","14.9752","0.0008","9.0793","0.0005","11.103","0.0006","90","","106.431","0.001","90","","1447.96","0.14","296","2","296.15","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C18 H17 N O3 -","- C18 H17 N O3 -","- C72 H68 N4 O12 -","4","1","","Zhang, Min; Li, Zhong-Yan; Yuan, Xian-You; Yuan, Lin","Crystal structure of 2,8-diphenyl-3,7,9-trioxa-1-azaspiro[4.5]dec-1-ene, C18H17N1O3","Zeitschrift für Kristallographie - New Crystal Structures","2017","232","6","1039","1040","10.1515/ncrs-2017-0174","","","0.71073","MoKα","","0.0367","0.0342","","","0.0864","0.0903","","","","","","1.057","","","","has coordinates","280866","2023-02-13","08:54:58",""
"8106763","7.905","0.003","9.194","0.004","13.094","0.005","99.928","0.004","105.341","0.004","109.283","0.004","830.2","0.6","296","2","296.15","","","","","","","","","4","P -1","-P 1","2","","","","- C16 H19 Cl O6 -","- C16 H19 Cl O6 -","- C32 H38 Cl2 O12 -","2","1","","Yuan, Xian-You; Zhang, Min; Yuan, Lin; Li, Zhong-Yan","Crystal structure of diethyl 2-(4-chlorophenyl)-1,3-dioxane-5,5-dicarboxylate, C16H19ClO6","Zeitschrift für Kristallographie - New Crystal Structures","2017","232","6","1041","1042","10.1515/ncrs-2017-0175","","","0.71073","MoKα","","0.0373","0.0343","","","0.0864","0.0898","","","","","","1.057","","","","has coordinates","280867","2023-02-13","09:02:13",""
"8106764","7.2526","0.0012","10.077","0.0018","11.906","0.002","90","","104.393","0.003","90","","842.8","0.2","293","2","293","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C8 H7 N3 O3 -","- C8 H7 N3 O3 -","- C32 H28 N12 O12 -","4","1","","Yu, Minxia","Crystal structure of 1-(carboxymethyl)-1H-benzo[d][1,2,3]triazole 3-oxide, C8H7N3O3","Zeitschrift für Kristallographie - New Crystal Structures","2017","232","6","1043","1044","10.1515/ncrs-2017-0181","","","0.71073","MoKα","","0.0454","0.0375","","","0.0725","0.0766","","","","","","1.035","","","","has coordinates","280868","2023-02-13","09:13:55",""
"8106765","10.8055","0.0005","11.5657","0.0006","12.0494","0.0006","78.058","0.001","80.405","0.002","69.388","0.001","1371.69","0.12","296","2","296","2","","","","","","","","6","P -1","-P 1","2","","","","- C25 H21 Cl4 N3 O5 V -","- C25 H21 Cl4 N3 O5 V -","- C50 H42 Cl8 N6 O10 V2 -","2","1","","Yin, Ning; Wu, Qiong; Zhang, Heng-Qiang; Zhang, Qi-Ying","Crystal structure of (acetylacetonato-κ2 O,O′)-(2-amino-6-chlorobenzoato-κO)-oxido(1,10-phenanthroline-κ2 N,N′)vanadium(IV) – trichloromethane (1/1)","Zeitschrift für Kristallographie - New Crystal Structures","2017","232","6","1045","1047","10.1515/ncrs-2017-0195","","","0.71073","MoKα","","0.0639","0.0549","","","0.16","0.1673","","","","","","1.063","","","","has coordinates","280869","2023-02-13","09:21:00",""
"8106766","17.2845","0.0014","14.2007","0.0011","5.8795","0.0005","90","","99.088","0.003","90","","1425","0.2","263","2","263","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C17 H12 Cl2 O -","- C17 H12 Cl2 O -","- C68 H48 Cl8 O4 -","4","1","","Maluleka, Marole M.; Mphahlele, Malose J.","Crystal structure of (1E,4E)-1,5-bis(4-chlorophenyl)penta-1,4-dien-3-one, C17H12Cl2O","Zeitschrift für Kristallographie - New Crystal Structures","2017","232","6","1049","1050","10.1515/ncrs-2017-0212","","x-ray","0.71073","MoKα","","0.0709","0.0567","","","0.1309","0.1395","","","","","","1.114","","","","has coordinates","280870","2023-02-13","09:24:36",""
"8106767","5.659","0.0009","7.0204","0.0012","7.7623","0.0011","79.262","0.005","84.603","0.004","88.928","0.005","301.64","0.08","223","2","223","2","","","","","","","","5","P -1","-P 1","2","","trans-Dibromidodi(pyridine-κ<i>N</i>)platinum(II),","","- C10 H10 Br2 N2 Pt -","- C10 H10 Br2 N2 Pt -","- C10 H10 Br2 N2 Pt -","1","0.5","","Ha, Kwang","The crystal structure of trans-dibromido-bis(pyridine-κN)platinum(II), C10H10Br2N2Pt","Zeitschrift für Kristallographie - New Crystal Structures","2017","232","6","1051","1052","10.1515/ncrs-2017-0267","","","0.71073","MoKα","","0.0599","0.044","","","0.0873","0.0946","","","","","","1.15","","","","has coordinates","280871","2023-02-13","09:27:26",""
"9017144","5.0647","","8.7131","","9.3842","","90","","90","","90","","414.118","","","","","","","","","","","","basaltic scoria, Menan Volcanic Complex, Rexburg, Idaho","3","P n a 21","P 2c -2n","33","","","Luogufengite","- Al0.235 Fe1.765 O3 -","- Al1.88 Fe14.12 O24 -","- Al1.88 Fe14.12 O24 -","","","","Xu, H.; Lee, S.; Xu, H.","Luogufengite: A new nano-mineral of Fe2O3 polymorph with giant coercive field","American Mineralogist","2017","102","","711","719","","","","","","","","","","","","","","","","","","","","","","has coordinates","282074","2023-03-27","07:57:23",""
"9017145","8.4416","","10.8919","","7.2749","","90.465","","113.158","","78.08","","599.743","","","","100","","","","","","","","Green River formation, Uintah County, Utah, USA","6","P -1","-P 1","2","","","Abelsonite","- C31 H32 Cr0.02 Fe0.05 N4 Ni0.93 -","- C31 H32 Cr0.02 Fe0.05 N4 Ni0.93 -","- C31 H32 Cr0.02 Fe0.05 N4 Ni0.93 -","","","","Hummer, D. R.; Noll, B. C.; Hazen, R. M.; Downs, R. T.","Crystal structure of abelsonite, the only known crystalline geoporphyrin Note: T = 100 K","American Mineralogist","2017","102","","1129","1132","","","","","","","","","","","","","","","","","","","","","","has coordinates","282074","2023-03-27","07:57:23",""
"9017279","7.03276","","7.02381","","6.32712","","90","","90","","90","","312.539","","","","648","","","","","","","","Salado formation at the WIPP site, Carlsbad, New Mexico, USA","3","B m m b","-B 2b 2","63","","","Anhydrite","- Ca O4 S -","- Ca4 O16 S4 -","- Ca4 O16 S4 -","","","","Xu, H.; Guo, X.; Bai, J.","Thermal behavior of polyhalite: a high-temperature synchrotron XRD study Note: T = 648 K","Physics and Chemistry of Minerals","2017","44","","125","135","","","","","","","","","","","","","","","","","","","","","","has coordinates","282074","2023-03-27","07:57:51",""
"9017710","9.575","","5.685","","7.279","","89.985","","100.933","","101.3","","381.211","","","","","","","","","","","","Fogo volcano, Sao Miguel Island, the Azores","21","P -1","-P 1","2","","","Fogoite-(Y)","- Ca2.01 Ce0.03 Dy0.08 Er0.05 F2.88 Fe0.07 Gd0.08 La0.01 Lu0.01 Mn0.31 Na2.83 Nb0.23 Nd0.03 O15.12 Si4 Sm0.02 Ta0.01 Ti0.76 Y1.21 Yb0.04 Zr0.11 -","- Ca2.01 Ce0.03 Dy0.08 Er0.05 F2.88 Fe0.07 Gd0.08 La0.01 Lu0.01 Mn0.31 Na2.83 Nb0.23 Nd0.03 O15.12 Si4 Sm0.02 Ta0.01 Ti0.76 Y1.21 Yb0.04 Zr0.11 -","- Ca2.01 Ce0.03 Dy0.08 Er0.05 F2.88 Fe0.07 Gd0.08 La0.01 Lu0.01 Mn0.31 Na2.83 Nb0.23 Nd0.03 O15.12 Si4 Sm0.02 Ta0.01 Ti0.76 Y1.21 Yb0.04 Zr0.11 -","1","0.5","","Camara, F.; Sokolova, E.; Abdu, Y. A.; Hawthorne, F. C.; Charrier, T.; Dorcet, V.; Carpentier, J. F.","Fogoite-(Y), Na3Ca2Y2Ti(Si2O7)2OF3, a group I TS-block mineral from the Lagoa do Fogo, the Fogo volcano, Sao Miguel Island, the Azores: Description and crystal structure","Mineralogical Magazine","2017","81","","369","381","","","","","","","","","","","","","","","","","","","","","","has coordinates","283960","2023-05-23","08:42:12",""
"9017711","12.526","","12.914","","11.664","","90","","90","","90","","1886.78","","","","","","","","","","","","Michalkowa pegmatite, Gory Sowie Block, Poland","8","P c a b","-P 2bc 2ac","61","","","Maneckiite","- Ca2 Fe2.52 H4 Mg1.56 Mn1.92 Na0.9 O26 P6 -","- Ca8 Fe10.08 H16 Mg6.24 Mn7.68 Na3.6 O104 P24 -","- Ca8 Fe10.08 H16 Mg6.24 Mn7.68 Na3.6 O104 P24 -","","","","Pieczka, A.; Hawthorne, F. C.; Golebiowska, B.; Wlodek, A.; Grochowina, A.","Maneckiite, ideally NaCa2Fe2+2(Fe3+Mg)Mn2(PO4)6(H2O)2, a new phosphate mineral of the wicksite supergroup from the Michalkowa pegmatite, Gory Sowie Block, southwestern Poland","Mineralogical Magazine","2017","81","","723","736","","","","","","","","","","","","","","","","","","","","","","has coordinates","282074","2023-03-27","08:29:16",""
"9017853","4.567","","12.803","","5.202","","90","","90","","90","","304.168","","","","","","","","","","","","Avacha Volcano, Kamchatka Peninsula, Russia","4","C m c m","-C 2c 2","63","","","Nataliyamalikite","- Br0.03 Cl0.02 I0.95 Tl -","- Br0.12 Cl0.08 I3.8 Tl4 -","- Br0.12 Cl0.08 I3.8 Tl4 -","","","","Okrugin, V.; Favero, M.; Liu, A.; Etschmann, B.; Plutachina, E.; Mills, S.; Tomkins, A. G.; Lukasheva, M.; Kozlov, V.; Moskaleva, S.; Chubarov, M.; Brugger, J.","Smoking gun for thallium geochemistry in volcanic arcs: Nataliyamalikite, TlI, a new thallium mineral from an active fumarole at Avacha Volcano, Kamchatka Peninsula, Russia Note: T = 100 (2) K","American Mineralogist","2017","102","","1736","1746","","","","","","","","","","","","","","","","","","","","","","has coordinates","282074","2023-03-27","08:29:26",""
"9017916","7.2226","","7.393","","20.0542","","90","","90","","90","","1070.83","","","","","","","","","","","","Alcaparrosa mine, Chile","4","P 21 21 21","P 2ac 2ab","19","","","Parabutlerite","- Fe H5 O7 S -","- Fe H5 O7 S -","- Fe8 H40 O56 S8 -","8","2","","Plasil, J.; Petricek, V.; Majzlan, J.","A commensurately modulated structure of parabutlerite, Fe3+SO4(OH)*2H2O","Acta Crystallographica, Section B","2017","73","","856","862","","","","","","","","","","","","","","","","","","","","","","has coordinates","283658","2023-05-10","17:55:53",""